forked from lijiext/lammps
1024 lines
49 KiB
Plaintext
1024 lines
49 KiB
Plaintext
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# DATE: 2016-09-26 CONTRIBUTOR: Robert Latour, latourr@clemson.edu CITATION: TBA
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# Title: charmm36 dihedral correction map
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# alanine map, type 1
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# -180.0
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0.126790 0.768700 0.971260 1.250970 2.121010
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2.720430 2.089440 1.789790 0.780870 -0.688474
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1.001130 -2.200520 -4.827670 -4.821447 -4.913223
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-3.591106 -2.766446 -2.784200 -2.454589 -2.346991
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-2.335350 -1.522656 -0.951542 -0.036650
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# -165.0
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-0.127133 1.377090 1.577020 1.872290 2.398990
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2.486630 2.436754 1.929070 1.086456 0.643400
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0.258676 -2.800440 -4.009477 -4.135306 -3.420090
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-2.602140 -2.299128 -1.501241 -1.101780 -0.861434
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-0.640168 -0.207701 -1.076344 -1.122030
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# -150.0
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0.084069 1.420317 1.624350 2.047200 2.653910
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2.716410 2.321416 1.985454 1.557466 2.463293
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-0.225720 -1.815886 -2.583256 -3.006154 -2.551995
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-1.890683 -1.354215 -0.727243 0.068512 -0.225016
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-0.765479 -1.283444 -1.293226 -0.816303
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# -135.0
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0.927992 1.521370 2.242218 2.546305 3.111384
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2.918410 2.460813 2.187970 2.058314 1.852278
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0.115935 -1.183897 -1.995479 -2.278329 -1.959136
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-1.340467 -0.932949 0.021790 0.313725 -0.517358
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-1.152891 -0.983285 -0.566518 -0.442565
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# -120.0
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1.357468 1.959160 2.698894 3.037857 3.698960
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3.558453 2.639296 2.773853 2.719664 1.627997
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0.705667 -0.785637 -2.118268 -2.628489 -1.803113
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-0.425969 -0.062320 0.439040 0.910952 -0.546994
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-0.968118 -0.856791 -0.250116 0.449309
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# -105.0
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2.045006 2.544424 2.818030 3.088582 3.370620
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3.551568 3.073520 2.903794 2.956634 2.124759
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0.906487 -0.823628 -2.090819 -2.241579 -1.456524
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0.206160 0.082195 0.771710 1.040241 -0.124647
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-0.316550 -0.164333 0.314474 0.733747
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# -90.0
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1.451735 2.748481 2.738185 3.156796 3.450028
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3.344157 3.180200 3.898724 3.335030 2.440579
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0.912671 -0.606502 -1.511772 -1.620864 -0.962798
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-0.020653 0.415153 0.908250 0.459433 0.145910
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-0.071054 0.017622 0.280839 0.748823
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# -75.0
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1.378160 3.345958 2.352424 3.063543 3.814070
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3.700796 3.580310 4.212293 3.536425 1.693809
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0.095172 -0.682452 -0.123614 -0.427765 -0.598368
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0.226352 0.423308 0.301999 0.551890 0.191719
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-0.253585 -0.190548 -0.253412 0.468922
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# -60.0
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0.237754 1.229980 1.716960 3.168570 4.208190
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4.391860 4.276080 3.673107 2.272295 -0.482789
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-0.406695 -0.038919 -0.357600 -0.823341 -0.173146
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0.139806 0.267796 0.322420 0.309664 -0.666399
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-0.948631 -1.534365 -1.479968 -0.204264
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# -45.0
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-1.184837 0.078060 2.347410 4.211350 5.376000
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5.389940 4.380200 2.461506 1.123713 0.107016
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0.007574 -0.149443 -0.797230 -0.582210 0.082910
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0.271580 -0.045570 0.379430 0.247770 -0.890956
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-1.582430 -1.954532 -1.980965 -2.000433
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# -30.0
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-1.174720 1.067030 4.180460 6.741610 6.070770
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4.806470 2.783340 1.320806 0.765978 -0.008448
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0.276860 -0.707140 1.314360 1.522590 1.915550
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2.223490 0.194290 0.534000 0.331780 -1.595147
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-2.849141 -3.550465 -3.277369 -2.655135
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# -15.0
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0.293590 5.588070 3.732620 3.217620 3.272450
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2.517320 1.588700 1.381760 0.856410 0.655170
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1.616970 0.846920 0.511070 0.740760 1.021020
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1.616580 -0.342400 0.181770 -0.613920 -2.558037
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-3.786839 -3.807325 -3.155346 -1.749204
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# 0
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2.832310 0.787990 0.323280 0.479230 0.628600
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0.976330 1.238750 1.671950 1.645480 2.520340
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1.606970 0.776350 0.119780 0.070390 0.121170
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-1.569230 -1.213010 -1.846360 -2.744510 -3.792530
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-3.934880 -3.615930 -2.675750 -0.924170
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# 15.0
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-0.778340 -1.912680 -2.052140 -1.846280 -1.047430
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0.183400 1.682950 2.223500 1.358370 2.448660
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1.436920 0.678570 -0.237060 -0.535320 -0.790380
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-2.182580 -3.251140 -4.195110 -4.269270 -3.908210
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-3.455620 -2.773970 1.755370 0.313410
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# 30.0
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-2.963810 -3.483730 -3.441809 -2.400349 -1.125083
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0.336200 1.428450 1.394630 0.970370 2.462720
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1.522430 0.553620 -0.407380 -1.482950 -3.613920
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-4.159810 -4.709721 -4.496271 -3.764540 -2.959140
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-1.963850 -1.071260 -1.599580 -2.445320
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# 45.0
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-4.021496 -3.836549 -3.365327 -2.334377 -0.984725
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0.362000 0.814380 0.754110 0.502370 1.903420
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0.770220 -0.416420 -3.286310 -3.875270 -4.611550
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-5.287977 -5.146239 -4.038627 -2.865450 -2.368170
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-2.860490 -3.416560 -3.666490 -3.595217
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# 60.0
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-3.353683 -2.984416 -2.317412 -1.240143 -0.257890
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0.722610 0.668070 0.438130 2.395330 1.632470
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-2.041450 -3.218100 -3.915080 -4.568574 -5.096776
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-5.526955 -5.005312 -3.777879 -2.840678 -3.508820
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-3.756430 -3.640810 -3.451845 -3.342810
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# 75.0
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-2.248733 -1.641080 -1.010583 0.039656 0.636063
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0.823710 0.517140 -0.013120 -0.370910 -1.192809
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-2.305650 -3.420580 -4.484960 -5.597237 -5.601264
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-5.727739 -4.740525 -3.819378 -3.685150 -4.151360
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-4.170739 -3.725589 -3.736732 -2.620673
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# 90.0
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-1.720840 -1.177830 -0.428430 0.277730 0.807900
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0.803260 0.482510 -0.336900 -0.786270 -1.774070
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-2.793220 -3.828560 -5.211800 -6.294328 -6.617221
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-5.763953 -5.072995 -3.911450 -4.158306 -4.473413
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-4.099325 -3.769822 -3.157300 -2.651694
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# 105.0
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-1.850640 -1.092420 -0.445020 0.128490 1.005520
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0.884820 0.485850 -0.218470 -0.857670 -1.682330
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-3.014400 -4.481110 -6.053510 -6.865400 -6.871130
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-5.728240 -3.912230 -4.802110 -5.034640 -4.715990
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-4.600554 -4.086721 -3.274630 -2.410940
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# 120.0
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-1.969230 -1.116650 -0.540250 -0.150330 0.763520
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1.038890 0.758480 0.313530 -0.333050 -1.872770
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-3.366270 -5.008260 -6.124810 -7.034830 -6.724320
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-3.700200 -4.510620 -5.185650 -5.361620 -4.847490
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-4.444320 -4.004260 -3.415720 -2.751230
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# 135.0
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-2.111250 -1.168960 -0.322790 -0.006920 0.316660
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1.086270 0.939170 0.625340 -0.166360 -1.830310
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-3.469470 -4.946030 -6.112560 -1.915580 -4.047310
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-4.996740 -4.996730 -4.842690 -4.886620 -4.300540
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-4.494620 -4.442210 -4.163570 -3.183510
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# 150.0
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-1.757590 -0.403620 0.023920 0.362390 0.634520
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1.264920 1.361360 0.948420 -0.073680 -1.483560
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-3.152820 1.835120 -1.762860 -5.093660 -5.744830
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-5.390070 -4.783930 -4.190630 -4.115420 -4.042280
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-4.125570 -4.028550 -4.026100 -2.937910
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# 165.0
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-0.810590 -0.071500 0.378890 0.543310 1.277880
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1.641310 1.698840 1.519950 0.631950 -1.088670
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-2.736530 -0.735240 -4.563830 -6.408350 -5.889450
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-5.141750 -4.194970 -3.666490 -3.843450 -3.555000
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-3.548722 -3.246995 -2.751289 -1.814368
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# alanine before proline map, type 2
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# -180.0
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0.126790 0.768700 0.971260 1.250970 2.121010
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2.720430 2.089440 1.789790 0.780870 -0.688474
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1.001130 -2.200520 -4.827670 -4.821447 -4.913223
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-3.591106 -2.766446 -2.784200 -2.454589 -2.346991
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-2.335350 -1.522656 -0.951542 -0.036650
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# -165.0
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-0.127133 1.377090 1.577020 1.872290 2.398990
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2.486630 2.436754 1.929070 1.086456 0.643400
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0.258676 -2.800440 -4.009477 -4.135306 -3.420090
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-2.602140 -2.299128 -1.501241 -1.101780 -0.861434
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-0.640168 -0.207701 -1.076344 -1.122030
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# -150.0
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0.084069 1.420317 1.624350 2.047200 2.653910
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2.716410 2.321416 1.985454 1.557466 2.463293
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-0.225720 -1.815886 -2.583256 -3.006154 -2.551995
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-1.890683 -1.354215 -0.727243 0.068512 -0.225016
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-0.765479 -1.283444 -1.293226 -0.816303
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# -135.0
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0.927992 1.521370 2.242218 2.546305 3.111384
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2.918410 2.460813 2.187970 2.058314 1.852278
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0.115935 -1.183897 -1.995479 -2.278329 -1.959136
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-1.340467 -0.932949 0.021790 0.313725 -0.517358
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-1.152891 -0.983285 -0.566518 -0.442565
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# -120.0
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1.357468 1.959160 2.698894 3.037857 3.698960
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3.558453 2.639296 2.773853 2.719664 1.627997
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0.705667 -0.785637 -2.118268 -2.628489 -1.803113
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-0.425969 -0.062320 0.439040 0.910952 -0.546994
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-0.968118 -0.856791 -0.250116 0.449309
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# -105.0
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2.045006 2.544424 2.818030 3.088582 3.370620
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3.551568 3.073520 2.903794 2.956634 2.124759
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0.906487 -0.823628 -2.090819 -2.241579 -1.456524
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0.206160 0.082195 0.771710 1.040241 -0.124647
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-0.316550 -0.164333 0.314474 0.733747
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# -90.0
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1.451735 2.748481 2.738185 3.156796 3.450028
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3.344157 3.180200 3.898724 3.335030 2.440579
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0.912671 -0.606502 -1.511772 -1.620864 -0.962798
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-0.020653 0.415153 0.908250 0.459433 0.145910
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-0.071054 0.017622 0.280839 0.748823
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# -75.0
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1.378160 3.345958 2.352424 3.063543 3.814070
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3.700796 3.580310 4.212293 3.536425 1.693809
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0.095172 -0.682452 -0.123614 -0.427765 -0.598368
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0.226352 0.423308 0.301999 0.551890 0.191719
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-0.253585 -0.190548 -0.253412 0.468922
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# -60.0
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0.237754 1.229980 1.716960 3.168570 4.208190
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4.391860 4.276080 3.673107 2.272295 -0.482789
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-0.406695 -0.038919 -0.357600 -0.823341 -0.173146
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0.139806 0.267796 0.322420 0.309664 -0.666399
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-0.948631 -1.534365 -1.479968 -0.204264
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# -45.0
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-1.184837 0.078060 2.347410 4.211350 5.376000
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5.389940 4.380200 2.461506 1.123713 0.107016
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0.007574 -0.149443 -0.797230 -0.582210 0.082910
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0.271580 -0.045570 0.379430 0.247770 -0.890956
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-1.582430 -1.954532 -1.980965 -2.000433
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# -30.0
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-1.174720 1.067030 4.180460 6.741610 6.070770
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4.806470 2.783340 1.320806 0.765978 -0.008448
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0.276860 -0.707140 1.314360 1.522590 1.915550
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2.223490 0.194290 0.534000 0.331780 -1.595147
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-2.849141 -3.550465 -3.277369 -2.655135
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# -15.0
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0.293590 5.588070 3.732620 3.217620 3.272450
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2.517320 1.588700 1.381760 0.856410 0.655170
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|
|
1.616970 0.846920 0.511070 0.740760 1.021020
|
||
|
|
1.616580 -0.342400 0.181770 -0.613920 -2.558037
|
||
|
|
-3.786839 -3.807325 -3.155346 -1.749204
|
||
|
|
|
||
|
|
# 0
|
||
|
|
2.832310 0.787990 0.323280 0.479230 0.628600
|
||
|
|
0.976330 1.238750 1.671950 1.645480 2.520340
|
||
|
|
1.606970 0.776350 0.119780 0.070390 0.121170
|
||
|
|
-1.569230 -1.213010 -1.846360 -2.744510 -3.792530
|
||
|
|
-3.934880 -3.615930 -2.675750 -0.924170
|
||
|
|
|
||
|
|
# 15.0
|
||
|
|
-0.778340 -1.912680 -2.052140 -1.846280 -1.047430
|
||
|
|
0.183400 1.682950 2.223500 1.358370 2.448660
|
||
|
|
1.436920 0.678570 -0.237060 -0.535320 -0.790380
|
||
|
|
-2.182580 -3.251140 -4.195110 -4.269270 -3.908210
|
||
|
|
-3.455620 -2.773970 1.755370 0.313410
|
||
|
|
|
||
|
|
# 30.0
|
||
|
|
-2.963810 -3.483730 -3.441809 -2.400349 -1.125083
|
||
|
|
0.336200 1.428450 1.394630 0.970370 2.462720
|
||
|
|
1.522430 0.553620 -0.407380 -1.482950 -3.613920
|
||
|
|
-4.159810 -4.709721 -4.496271 -3.764540 -2.959140
|
||
|
|
-1.963850 -1.071260 -1.599580 -2.445320
|
||
|
|
|
||
|
|
# 45.0
|
||
|
|
-4.021496 -3.836549 -3.365327 -2.334377 -0.984725
|
||
|
|
0.362000 0.814380 0.754110 0.502370 1.903420
|
||
|
|
0.770220 -0.416420 -3.286310 -3.875270 -4.611550
|
||
|
|
-5.287977 -5.146239 -4.038627 -2.865450 -2.368170
|
||
|
|
-2.860490 -3.416560 -3.666490 -3.595217
|
||
|
|
|
||
|
|
# 60.0
|
||
|
|
-3.353683 -2.984416 -2.317412 -1.240143 -0.257890
|
||
|
|
0.722610 0.668070 0.438130 2.395330 1.632470
|
||
|
|
-2.041450 -3.218100 -3.915080 -4.568574 -5.096776
|
||
|
|
-5.526955 -5.005312 -3.777879 -2.840678 -3.508820
|
||
|
|
-3.756430 -3.640810 -3.451845 -3.342810
|
||
|
|
|
||
|
|
# 75.0
|
||
|
|
-2.248733 -1.641080 -1.010583 0.039656 0.636063
|
||
|
|
0.823710 0.517140 -0.013120 -0.370910 -1.192809
|
||
|
|
-2.305650 -3.420580 -4.484960 -5.597237 -5.601264
|
||
|
|
-5.727739 -4.740525 -3.819378 -3.685150 -4.151360
|
||
|
|
-4.170739 -3.725589 -3.736732 -2.620673
|
||
|
|
|
||
|
|
# 90.0
|
||
|
|
-1.720840 -1.177830 -0.428430 0.277730 0.807900
|
||
|
|
0.803260 0.482510 -0.336900 -0.786270 -1.774070
|
||
|
|
-2.793220 -3.828560 -5.211800 -6.294328 -6.617221
|
||
|
|
-5.763953 -5.072995 -3.911450 -4.158306 -4.473413
|
||
|
|
-4.099325 -3.769822 -3.157300 -2.651694
|
||
|
|
|
||
|
|
# 105.0
|
||
|
|
-1.850640 -1.092420 -0.445020 0.128490 1.005520
|
||
|
|
0.884820 0.485850 -0.218470 -0.857670 -1.682330
|
||
|
|
-3.014400 -4.481110 -6.053510 -6.865400 -6.871130
|
||
|
|
-5.728240 -3.912230 -4.802110 -5.034640 -4.715990
|
||
|
|
-4.600554 -4.086721 -3.274630 -2.410940
|
||
|
|
|
||
|
|
# 120.0
|
||
|
|
-1.969230 -1.116650 -0.540250 -0.150330 0.763520
|
||
|
|
1.038890 0.758480 0.313530 -0.333050 -1.872770
|
||
|
|
-3.366270 -5.008260 -6.124810 -7.034830 -6.724320
|
||
|
|
-3.700200 -4.510620 -5.185650 -5.361620 -4.847490
|
||
|
|
-4.444320 -4.004260 -3.415720 -2.751230
|
||
|
|
|
||
|
|
# 135.0
|
||
|
|
-2.111250 -1.168960 -0.322790 -0.006920 0.316660
|
||
|
|
1.086270 0.939170 0.625340 -0.166360 -1.830310
|
||
|
|
-3.469470 -4.946030 -6.112560 -1.915580 -4.047310
|
||
|
|
-4.996740 -4.996730 -4.842690 -4.886620 -4.300540
|
||
|
|
-4.494620 -4.442210 -4.163570 -3.183510
|
||
|
|
|
||
|
|
# 150.0
|
||
|
|
-1.757590 -0.403620 0.023920 0.362390 0.634520
|
||
|
|
1.264920 1.361360 0.948420 -0.073680 -1.483560
|
||
|
|
-3.152820 1.835120 -1.762860 -5.093660 -5.744830
|
||
|
|
-5.390070 -4.783930 -4.190630 -4.115420 -4.042280
|
||
|
|
-4.125570 -4.028550 -4.026100 -2.937910
|
||
|
|
|
||
|
|
# 165.0
|
||
|
|
-0.810590 -0.071500 0.378890 0.543310 1.277880
|
||
|
|
1.641310 1.698840 1.519950 0.631950 -1.088670
|
||
|
|
-2.736530 -0.735240 -4.563830 -6.408350 -5.889450
|
||
|
|
-5.141750 -4.194970 -3.666490 -3.843450 -3.555000
|
||
|
|
-3.548722 -3.246995 -2.751289 -1.814368
|
||
|
|
|
||
|
|
# proline, type 3
|
||
|
|
|
||
|
|
# -180
|
||
|
|
2.973500 3.348200 3.062900 2.113400 1.040500
|
||
|
|
0.770600 0.785200 0.263300 -0.479000 -0.583000
|
||
|
|
-0.463800 -0.292600 0.000000 0.259100 0.177100
|
||
|
|
-0.151200 -0.173500 0.211700 0.348900 -0.135600
|
||
|
|
-0.950000 -1.256600 -0.292800 1.560000
|
||
|
|
|
||
|
|
# -165
|
||
|
|
5.674100 6.011400 5.562700 4.467300 3.390800
|
||
|
|
3.008800 2.848600 2.311200 1.661400 1.468400
|
||
|
|
1.142700 1.437400 2.113200 2.799500 2.989100
|
||
|
|
2.869000 3.016100 3.328500 3.232900 2.547600
|
||
|
|
1.647200 1.422700 2.517100 4.339800
|
||
|
|
|
||
|
|
# -150
|
||
|
|
6.752800 6.973200 6.444300 5.389800 4.438600
|
||
|
|
4.046000 3.832800 3.442400 3.303500 3.010000
|
||
|
|
2.838100 3.162200 3.778300 4.362800 4.603600
|
||
|
|
4.546200 4.702100 4.837200 4.549500 3.849600
|
||
|
|
3.099200 3.031800 4.060200 5.624800
|
||
|
|
|
||
|
|
# -135
|
||
|
|
7.627800 8.153400 7.342500 5.893500 4.799200
|
||
|
|
4.433400 4.551500 4.442800 2.222200 0.776300
|
||
|
|
0.790000 2.152300 3.932900 5.274900 5.830800
|
||
|
|
5.988600 5.588500 5.211000 4.918000 4.292100
|
||
|
|
3.495500 3.449800 4.617700 6.311700
|
||
|
|
|
||
|
|
# -120
|
||
|
|
8.115600 8.477200 7.754300 6.585000 5.537900
|
||
|
|
4.964300 4.929000 4.421200 2.336100 1.257800
|
||
|
|
1.769300 3.359900 5.018000 6.055500 6.217600
|
||
|
|
5.726100 5.512200 5.820200 5.716700 4.872300
|
||
|
|
4.066800 4.094600 5.284900 6.931500
|
||
|
|
|
||
|
|
# -105
|
||
|
|
9.249700 9.483000 8.668500 7.525300 7.003200
|
||
|
|
6.834600 6.822100 5.287600 3.320600 2.640300
|
||
|
|
3.464800 5.100300 6.537600 6.885600 5.842000
|
||
|
|
5.248700 5.540200 6.652400 7.196700 6.625400
|
||
|
|
5.710100 5.581700 6.651500 8.192800
|
||
|
|
|
||
|
|
# -90
|
||
|
|
9.335600 9.208000 8.564600 8.010200 7.885100
|
||
|
|
8.212200 8.737100 8.429100 7.306500 6.474200
|
||
|
|
6.651300 7.484700 8.195300 8.295000 7.407200
|
||
|
|
6.529900 6.242000 6.227500 6.347300 6.449700
|
||
|
|
6.404700 6.579300 7.391700 8.570700
|
||
|
|
|
||
|
|
# -75
|
||
|
|
10.955200 11.455400 11.173300 10.428700 10.062400
|
||
|
|
10.044500 9.279600 6.965100 5.361500 5.102700
|
||
|
|
6.267600 7.871600 8.009800 7.104500 6.616400
|
||
|
|
6.733700 7.504000 8.664700 9.282800 8.795900
|
||
|
|
7.872500 7.612400 8.498100 9.894000
|
||
|
|
|
||
|
|
# -60
|
||
|
|
8.422900 8.529200 8.608500 9.306400 10.239400
|
||
|
|
11.025900 11.510800 9.283500 7.566000 6.624600
|
||
|
|
7.038700 8.222400 8.786400 8.512000 8.103500
|
||
|
|
7.988200 8.192900 8.291000 8.055600 7.436800
|
||
|
|
6.651800 6.317000 6.802500 7.746300
|
||
|
|
|
||
|
|
# -45
|
||
|
|
6.913200 7.937400 8.610800 9.316600 9.388500
|
||
|
|
9.408400 8.828800 7.297900 5.456400 4.742700
|
||
|
|
5.793100 7.118800 7.565400 7.598500 7.438700
|
||
|
|
7.512500 7.878100 8.082200 7.642700 6.320500
|
||
|
|
4.680400 3.830500 4.215800 5.435200
|
||
|
|
|
||
|
|
# -30
|
||
|
|
5.466700 7.116000 8.908800 8.347200 7.413500
|
||
|
|
7.047000 6.031600 4.193100 2.674800 3.023700
|
||
|
|
4.485300 5.451700 6.214900 6.422600 6.229300
|
||
|
|
6.191100 6.488900 6.646400 5.833400 3.751300
|
||
|
|
1.719800 1.064900 1.955800 3.860800
|
||
|
|
|
||
|
|
# -15
|
||
|
|
3.061500 5.603800 12.179500 6.295200 5.323400
|
||
|
|
4.826500 3.705600 2.461500 2.291600 3.145900
|
||
|
|
3.562100 4.443600 5.337500 5.728800 5.694800
|
||
|
|
5.641600 5.943300 6.169000 4.759500 2.569400
|
||
|
|
1.357100 1.669800 3.212300 5.031900
|
||
|
|
|
||
|
|
# 0
|
||
|
|
8.085900 8.051100 5.023600 3.450800 2.836100
|
||
|
|
2.192500 1.566200 1.456300 2.039300 1.945200
|
||
|
|
2.188400 2.921300 3.467500 3.543500 3.374500
|
||
|
|
3.472300 4.069900 3.615600 2.082200 0.958600
|
||
|
|
0.792600 1.494200 2.794900 4.853100
|
||
|
|
|
||
|
|
# 15
|
||
|
|
6.639500 5.177400 3.252300 1.952700 1.078400
|
||
|
|
0.888300 1.505400 2.442300 2.178600 1.578600
|
||
|
|
1.777400 2.395400 2.820200 2.795200 2.662400
|
||
|
|
2.917100 2.562100 1.557900 1.322300 1.631400
|
||
|
|
2.051200 2.555600 3.039100 4.915000
|
||
|
|
|
||
|
|
# 30
|
||
|
|
7.548800 5.095500 2.747000 0.955200 0.444500
|
||
|
|
1.318700 2.733300 3.223200 2.565500 2.150900
|
||
|
|
2.394400 2.939300 3.266000 3.210000 3.113400
|
||
|
|
2.491300 0.978300 0.815300 1.522700 2.055600
|
||
|
|
2.199900 2.327600 3.474200 7.977800
|
||
|
|
|
||
|
|
# 45
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 60
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 75
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 90
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 105
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 120
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 135
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 150
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 165
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 2 adjacent prolines, type 4
|
||
|
|
|
||
|
|
# -180
|
||
|
|
2.973500 3.348200 3.062900 2.113400 1.040500
|
||
|
|
0.770600 0.785200 0.263300 -0.479000 -0.583000
|
||
|
|
-0.463800 -0.292600 0.000000 0.259100 0.177100
|
||
|
|
-0.151200 -0.173500 0.211700 0.348900 -0.135600
|
||
|
|
-0.950000 -1.256600 -0.292800 1.560000
|
||
|
|
|
||
|
|
# -165
|
||
|
|
5.674100 6.011400 5.562700 4.467300 3.390800
|
||
|
|
3.008800 2.848600 2.311200 1.661400 1.468400
|
||
|
|
1.142700 1.437400 2.113200 2.799500 2.989100
|
||
|
|
2.869000 3.016100 3.328500 3.232900 2.547600
|
||
|
|
1.647200 1.422700 2.517100 4.339800
|
||
|
|
|
||
|
|
# -150
|
||
|
|
6.752800 6.973200 6.444300 5.389800 4.438600
|
||
|
|
4.046000 3.832800 3.442400 3.303500 3.010000
|
||
|
|
2.838100 3.162200 3.778300 4.362800 4.603600
|
||
|
|
4.546200 4.702100 4.837200 4.549500 3.849600
|
||
|
|
3.099200 3.031800 4.060200 5.624800
|
||
|
|
|
||
|
|
# -135
|
||
|
|
7.627800 8.153400 7.342500 5.893500 4.799200
|
||
|
|
4.433400 4.551500 4.442800 2.222200 0.776300
|
||
|
|
0.790000 2.152300 3.932900 5.274900 5.830800
|
||
|
|
5.988600 5.588500 5.211000 4.918000 4.292100
|
||
|
|
3.495500 3.449800 4.617700 6.311700
|
||
|
|
|
||
|
|
# -120
|
||
|
|
8.115600 8.477200 7.754300 6.585000 5.537900
|
||
|
|
4.964300 4.929000 4.421200 2.336100 1.257800
|
||
|
|
1.769300 3.359900 5.018000 6.055500 6.217600
|
||
|
|
5.726100 5.512200 5.820200 5.716700 4.872300
|
||
|
|
4.066800 4.094600 5.284900 6.931500
|
||
|
|
|
||
|
|
# -105
|
||
|
|
9.249700 9.483000 8.668500 7.525300 7.003200
|
||
|
|
6.834600 6.822100 5.287600 3.320600 2.640300
|
||
|
|
3.464800 5.100300 6.537600 6.885600 5.842000
|
||
|
|
5.248700 5.540200 6.652400 7.196700 6.625400
|
||
|
|
5.710100 5.581700 6.651500 8.192800
|
||
|
|
|
||
|
|
# -90
|
||
|
|
9.335600 9.208000 8.564600 8.010200 7.885100
|
||
|
|
8.212200 8.737100 8.429100 7.306500 6.474200
|
||
|
|
6.651300 7.484700 8.195300 8.295000 7.407200
|
||
|
|
6.529900 6.242000 6.227500 6.347300 6.449700
|
||
|
|
6.404700 6.579300 7.391700 8.570700
|
||
|
|
|
||
|
|
# -75
|
||
|
|
10.955200 11.455400 11.173300 10.428700 10.062400
|
||
|
|
10.044500 9.279600 6.965100 5.361500 5.102700
|
||
|
|
6.267600 7.871600 8.009800 7.104500 6.616400
|
||
|
|
6.733700 7.504000 8.664700 9.282800 8.795900
|
||
|
|
7.872500 7.612400 8.498100 9.894000
|
||
|
|
|
||
|
|
# -60
|
||
|
|
8.422900 8.529200 8.608500 9.306400 10.239400
|
||
|
|
11.025900 11.510800 9.283500 7.566000 6.624600
|
||
|
|
7.038700 8.222400 8.786400 8.512000 8.103500
|
||
|
|
7.988200 8.192900 8.291000 8.055600 7.436800
|
||
|
|
6.651800 6.317000 6.802500 7.746300
|
||
|
|
|
||
|
|
# -45
|
||
|
|
6.913200 7.937400 8.610800 9.316600 9.388500
|
||
|
|
9.408400 8.828800 7.297900 5.456400 4.742700
|
||
|
|
5.793100 7.118800 7.565400 7.598500 7.438700
|
||
|
|
7.512500 7.878100 8.082200 7.642700 6.320500
|
||
|
|
4.680400 3.830500 4.215800 5.435200
|
||
|
|
|
||
|
|
# -30
|
||
|
|
5.466700 7.116000 8.908800 8.347200 7.413500
|
||
|
|
7.047000 6.031600 4.193100 2.674800 3.023700
|
||
|
|
4.485300 5.451700 6.214900 6.422600 6.229300
|
||
|
|
6.191100 6.488900 6.646400 5.833400 3.751300
|
||
|
|
1.719800 1.064900 1.955800 3.860800
|
||
|
|
|
||
|
|
# -15
|
||
|
|
3.061500 5.603800 12.179500 6.295200 5.323400
|
||
|
|
4.826500 3.705600 2.461500 2.291600 3.145900
|
||
|
|
3.562100 4.443600 5.337500 5.728800 5.694800
|
||
|
|
5.641600 5.943300 6.169000 4.759500 2.569400
|
||
|
|
1.357100 1.669800 3.212300 5.031900
|
||
|
|
|
||
|
|
# 0
|
||
|
|
8.085900 8.051100 5.023600 3.450800 2.836100
|
||
|
|
2.192500 1.566200 1.456300 2.039300 1.945200
|
||
|
|
2.188400 2.921300 3.467500 3.543500 3.374500
|
||
|
|
3.472300 4.069900 3.615600 2.082200 0.958600
|
||
|
|
0.792600 1.494200 2.794900 4.853100
|
||
|
|
|
||
|
|
# 15
|
||
|
|
6.639500 5.177400 3.252300 1.952700 1.078400
|
||
|
|
0.888300 1.505400 2.442300 2.178600 1.578600
|
||
|
|
1.777400 2.395400 2.820200 2.795200 2.662400
|
||
|
|
2.917100 2.562100 1.557900 1.322300 1.631400
|
||
|
|
2.051200 2.555600 3.039100 4.915000
|
||
|
|
|
||
|
|
# 30
|
||
|
|
7.548800 5.095500 2.747000 0.955200 0.444500
|
||
|
|
1.318700 2.733300 3.223200 2.565500 2.150900
|
||
|
|
2.394400 2.939300 3.266000 3.210000 3.113400
|
||
|
|
2.491300 0.978300 0.815300 1.522700 2.055600
|
||
|
|
2.199900 2.327600 3.474200 7.977800
|
||
|
|
|
||
|
|
# 45
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 60
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 75
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 90
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 105
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 120
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 135
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 150
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# 165
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000 0.000000
|
||
|
|
0.000000 0.000000 0.000000 0.000000
|
||
|
|
|
||
|
|
# glycine map, type 5
|
||
|
|
|
||
|
|
# -180
|
||
|
|
0.235350 0.182300 0.177200 0.396800 0.859400
|
||
|
|
1.489700 2.092500 2.297700 1.808600 0.696200
|
||
|
|
-0.563300 -1.432700 -1.015100 1.426300 -0.564300
|
||
|
|
0.696200 1.808200 2.301700 2.092600 1.489100
|
||
|
|
0.859500 0.396900 0.176900 0.182400
|
||
|
|
|
||
|
|
# -165
|
||
|
|
0.020100 -0.203800 -0.269700 0.014200 0.620800
|
||
|
|
1.392400 2.046200 2.188200 1.683900 0.688500
|
||
|
|
-0.373700 -0.703500 0.837800 3.704000 -0.730100
|
||
|
|
0.594100 1.713100 2.205800 2.026400 1.529800
|
||
|
|
1.027400 0.623800 0.348400 0.182800
|
||
|
|
|
||
|
|
# -150
|
||
|
|
-0.533600 -0.807400 -0.804600 -0.379800 0.365300
|
||
|
|
1.168000 1.641000 1.618100 1.302200 0.615100
|
||
|
|
0.065700 0.738500 2.959500 -2.036600 -0.934600
|
||
|
|
0.407900 1.517000 1.984800 1.833100 1.435200
|
||
|
|
0.995600 0.562200 0.150600 -0.209000
|
||
|
|
|
||
|
|
# -135
|
||
|
|
-1.208500 -1.429400 -1.319200 -0.817500 -0.112400
|
||
|
|
0.454400 0.737600 0.879300 0.850100 0.670300
|
||
|
|
0.943500 -2.651200 -2.829400 -2.199100 -1.065700
|
||
|
|
0.279600 1.322000 1.668300 1.521300 1.193900
|
||
|
|
0.765300 0.246000 -0.315500 -0.823200
|
||
|
|
|
||
|
|
# -120
|
||
|
|
-1.789100 -1.965500 -1.860700 -1.447900 -0.896500
|
||
|
|
-0.401000 -0.015100 0.321300 0.634600 0.976300
|
||
|
|
-1.977500 -2.883200 -2.848500 -2.137900 -0.960300
|
||
|
|
0.308700 1.098100 1.245300 1.133600 0.881800
|
||
|
|
0.448200 -0.153900 -0.823700 -1.404300
|
||
|
|
|
||
|
|
# -105
|
||
|
|
-2.246700 -2.487000 -2.473700 -2.135600 -1.577700
|
||
|
|
-0.980600 -0.429100 0.144700 0.734000 -0.918300
|
||
|
|
-2.299200 -2.882200 -2.668600 -1.847100 -0.719800
|
||
|
|
0.107000 0.496000 0.553500 0.584300 0.494000
|
||
|
|
0.098300 -0.529800 -1.237900 -1.840100
|
||
|
|
|
||
|
|
# -90
|
||
|
|
-2.851100 -3.181100 -3.199500 -2.785300 -2.054300
|
||
|
|
-1.242900 -0.476500 0.288100 -0.045300 -1.470600
|
||
|
|
-2.558800 -2.869400 -2.450300 -1.582200 -0.930800
|
||
|
|
-0.426400 -0.022700 0.000000 -0.097400 -0.136100
|
||
|
|
-0.439600 -1.038600 -1.741000 -2.373200
|
||
|
|
|
||
|
|
# -75
|
||
|
|
-3.961800 -4.268200 -4.109000 -3.364700 -2.252200
|
||
|
|
-1.140400 -0.209800 0.487300 -0.746200 -2.127700
|
||
|
|
-2.932100 -2.898500 -2.247900 -1.730400 -1.177200
|
||
|
|
-0.448200 0.034900 -0.073300 -0.531600 -0.933300
|
||
|
|
-1.360700 -2.009200 -2.745700 -3.424900
|
||
|
|
|
||
|
|
# -60
|
||
|
|
-5.408000 -5.355100 -4.640100 -3.283200 -1.710200
|
||
|
|
-0.423800 0.354400 -0.103700 -1.577700 -2.828300
|
||
|
|
-3.151200 -2.649200 -2.183000 -1.761200 -0.981700
|
||
|
|
-0.174700 0.262600 0.039200 -0.663000 -1.530700
|
||
|
|
-2.478200 -3.465600 -4.334200 -5.011200
|
||
|
|
|
||
|
|
# -45
|
||
|
|
-6.093200 -5.298400 -3.816620 -1.922530 -0.196160
|
||
|
|
0.768200 0.568500 -0.831300 -2.343900 -3.037100
|
||
|
|
-2.663700 -2.191100 -2.022900 -1.438500 -0.649000
|
||
|
|
0.077000 0.441500 0.257500 -0.491100 -1.820600
|
||
|
|
-3.473100 -4.895200 -5.790700 -6.205900
|
||
|
|
|
||
|
|
# -30
|
||
|
|
-5.258225 -3.675795 -1.631110 0.430085 1.496470
|
||
|
|
0.318200 -0.555100 -1.695500 -2.434200 -2.192600
|
||
|
|
-1.691300 -1.890000 -1.708500 -1.206300 -0.567400
|
||
|
|
0.054300 0.497200 0.599600 -0.171000 -2.137600
|
||
|
|
-4.237000 -5.584100 -6.135100 -6.067000
|
||
|
|
|
||
|
|
# -15
|
||
|
|
-3.161820 -0.902080 1.432450 -1.452885 -1.560780
|
||
|
|
-1.665600 -1.783100 -1.755100 -1.329300 -0.731100
|
||
|
|
-1.317000 -1.662800 -1.601200 -1.294900 -0.817300
|
||
|
|
-0.197100 0.549500 0.850400 -0.689700 -2.819900
|
||
|
|
-4.393000 -5.111500 -5.205690 -4.654785
|
||
|
|
|
||
|
|
# 0
|
||
|
|
0.034035 -2.349860 -3.412065 -3.620070 -3.450950
|
||
|
|
-2.875650 -1.787800 -0.541250 0.410450 -0.372500
|
||
|
|
-1.126850 -1.498450 -1.608700 -1.498450 -1.126850
|
||
|
|
-0.372500 0.410450 -0.541250 -1.787800 -2.875650
|
||
|
|
-3.450950 -3.620070 -3.412065 -2.349860
|
||
|
|
|
||
|
|
# 15
|
||
|
|
-3.162345 -4.654785 -5.205690 -5.111500 -4.393000
|
||
|
|
-2.819900 -0.689700 0.850400 0.549500 -0.197100
|
||
|
|
-0.817300 -1.294900 -1.601200 -1.662800 -1.317000
|
||
|
|
-0.731100 -1.329300 -1.755100 -1.783100 -1.665600
|
||
|
|
-1.560780 -1.452885 1.432450 -0.902080
|
||
|
|
|
||
|
|
# 30
|
||
|
|
-5.258220 -6.067000 -6.135100 -5.584100 -4.237000
|
||
|
|
-2.137600 -0.171000 0.599600 0.497200 0.054300
|
||
|
|
-0.567400 -1.206300 -1.708500 -1.890000 -1.691300
|
||
|
|
-2.192600 -2.434200 -1.695500 -0.555100 0.318200
|
||
|
|
1.496470 0.430085 -1.631110 -3.675795
|
||
|
|
|
||
|
|
# 45
|
||
|
|
-6.093300 -6.205900 -5.790700 -4.895200 -3.473100
|
||
|
|
-1.820600 -0.491100 0.257500 0.441500 0.077000
|
||
|
|
-0.649000 -1.438500 -2.022900 -2.191100 -2.663700
|
||
|
|
-3.037100 -2.343900 -0.831300 0.568500 0.768200
|
||
|
|
-0.196160 -1.922530 -3.816620 -5.298400
|
||
|
|
|
||
|
|
# 60
|
||
|
|
-5.407500 -5.011200 -4.334200 -3.465600 -2.478200
|
||
|
|
-1.530700 -0.663000 0.039200 0.262600 -0.174700
|
||
|
|
-0.981700 -1.761200 -2.183000 -2.649200 -3.151200
|
||
|
|
-2.828300 -1.577700 -0.103700 0.354400 -0.423800
|
||
|
|
-1.710200 -3.283200 -4.640100 -5.355100
|
||
|
|
|
||
|
|
# 75
|
||
|
|
-3.961900 -3.424900 -2.745700 -2.009200 -1.360700
|
||
|
|
-0.933300 -0.531600 -0.073300 0.034900 -0.448200
|
||
|
|
-1.177200 -1.730400 -2.247900 -2.898500 -2.932100
|
||
|
|
-2.127700 -0.746200 0.487300 -0.209800 -1.140400
|
||
|
|
-2.252200 -3.364700 -4.109000 -4.268200
|
||
|
|
|
||
|
|
# 90
|
||
|
|
-2.854500 -2.373200 -1.741000 -1.038600 -0.439600
|
||
|
|
-0.136100 -0.097400 0.000000 -0.022700 -0.426400
|
||
|
|
-0.930800 -1.582200 -2.450300 -2.869400 -2.558800
|
||
|
|
-1.470600 -0.045300 0.288100 -0.476500 -1.242900
|
||
|
|
-2.054300 -2.785300 -3.199500 -3.181100
|
||
|
|
|
||
|
|
# 105
|
||
|
|
-2.246400 -1.840100 -1.237900 -0.529800 0.098300
|
||
|
|
0.494000 0.584300 0.553500 0.496000 0.107000
|
||
|
|
-0.719800 -1.847100 -2.668600 -2.882200 -2.299200
|
||
|
|
-0.918300 0.734000 0.144700 -0.429100 -0.980600
|
||
|
|
-1.577700 -2.135600 -2.473700 -2.487000
|
||
|
|
|
||
|
|
# 120
|
||
|
|
-1.788800 -1.404300 -0.823700 -0.153900 0.448200
|
||
|
|
0.881800 1.133600 1.245300 1.098100 0.308700
|
||
|
|
-0.960300 -2.137900 -2.848500 -2.883200 -1.977500
|
||
|
|
0.976300 0.634600 0.321300 -0.015100 -0.401000
|
||
|
|
-0.896500 -1.447900 -1.860700 -1.965500
|
||
|
|
|
||
|
|
# 135
|
||
|
|
-1.208900 -0.823200 -0.315500 0.246000 0.765300
|
||
|
|
1.193900 1.521300 1.668300 1.322000 0.279600
|
||
|
|
-1.065700 -2.199100 -2.829400 -2.651200 0.943500
|
||
|
|
0.670300 0.850100 0.879300 0.737600 0.454400
|
||
|
|
-0.112400 -0.817500 -1.319200 -1.429400
|
||
|
|
|
||
|
|
# 150
|
||
|
|
-0.533400 -0.209000 0.150600 0.562200 0.995600
|
||
|
|
1.435200 1.833100 1.984800 1.517000 0.407900
|
||
|
|
-0.934600 -2.036600 2.959500 0.738500 0.065700
|
||
|
|
0.615100 1.302200 1.618100 1.641000 1.168000
|
||
|
|
0.365300 -0.379800 -0.804600 -0.807400
|
||
|
|
|
||
|
|
# 165
|
||
|
|
0.019900 0.182800 0.348400 0.623800 1.027400
|
||
|
|
1.529800 2.026400 2.205800 1.713100 0.594100
|
||
|
|
-0.730100 3.704000 0.837800 -0.703500 -0.373700
|
||
|
|
0.688500 1.683900 2.188200 2.046200 1.392400
|
||
|
|
0.620800 0.014200 -0.269700 -0.203800
|
||
|
|
|
||
|
|
# glycine before proline map, type 6: use glycine map
|
||
|
|
|
||
|
|
# -180
|
||
|
|
0.235350 0.182300 0.177200 0.396800 0.859400
|
||
|
|
1.489700 2.092500 2.297700 1.808600 0.696200
|
||
|
|
-0.563300 -1.432700 -1.015100 1.426300 -0.564300
|
||
|
|
0.696200 1.808200 2.301700 2.092600 1.489100
|
||
|
|
0.859500 0.396900 0.176900 0.182400
|
||
|
|
|
||
|
|
# -165
|
||
|
|
0.020100 -0.203800 -0.269700 0.014200 0.620800
|
||
|
|
1.392400 2.046200 2.188200 1.683900 0.688500
|
||
|
|
-0.373700 -0.703500 0.837800 3.704000 -0.730100
|
||
|
|
0.594100 1.713100 2.205800 2.026400 1.529800
|
||
|
|
1.027400 0.623800 0.348400 0.182800
|
||
|
|
|
||
|
|
# -150
|
||
|
|
-0.533600 -0.807400 -0.804600 -0.379800 0.365300
|
||
|
|
1.168000 1.641000 1.618100 1.302200 0.615100
|
||
|
|
0.065700 0.738500 2.959500 -2.036600 -0.934600
|
||
|
|
0.407900 1.517000 1.984800 1.833100 1.435200
|
||
|
|
0.995600 0.562200 0.150600 -0.209000
|
||
|
|
|
||
|
|
# -135
|
||
|
|
-1.208500 -1.429400 -1.319200 -0.817500 -0.112400
|
||
|
|
0.454400 0.737600 0.879300 0.850100 0.670300
|
||
|
|
0.943500 -2.651200 -2.829400 -2.199100 -1.065700
|
||
|
|
0.279600 1.322000 1.668300 1.521300 1.193900
|
||
|
|
0.765300 0.246000 -0.315500 -0.823200
|
||
|
|
|
||
|
|
# -120
|
||
|
|
-1.789100 -1.965500 -1.860700 -1.447900 -0.896500
|
||
|
|
-0.401000 -0.015100 0.321300 0.634600 0.976300
|
||
|
|
-1.977500 -2.883200 -2.848500 -2.137900 -0.960300
|
||
|
|
0.308700 1.098100 1.245300 1.133600 0.881800
|
||
|
|
0.448200 -0.153900 -0.823700 -1.404300
|
||
|
|
|
||
|
|
# -105
|
||
|
|
-2.246700 -2.487000 -2.473700 -2.135600 -1.577700
|
||
|
|
-0.980600 -0.429100 0.144700 0.734000 -0.918300
|
||
|
|
-2.299200 -2.882200 -2.668600 -1.847100 -0.719800
|
||
|
|
0.107000 0.496000 0.553500 0.584300 0.494000
|
||
|
|
0.098300 -0.529800 -1.237900 -1.840100
|
||
|
|
|
||
|
|
# -90
|
||
|
|
-2.851100 -3.181100 -3.199500 -2.785300 -2.054300
|
||
|
|
-1.242900 -0.476500 0.288100 -0.045300 -1.470600
|
||
|
|
-2.558800 -2.869400 -2.450300 -1.582200 -0.930800
|
||
|
|
-0.426400 -0.022700 0.000000 -0.097400 -0.136100
|
||
|
|
-0.439600 -1.038600 -1.741000 -2.373200
|
||
|
|
|
||
|
|
# -75
|
||
|
|
-3.961800 -4.268200 -4.109000 -3.364700 -2.252200
|
||
|
|
-1.140400 -0.209800 0.487300 -0.746200 -2.127700
|
||
|
|
-2.932100 -2.898500 -2.247900 -1.730400 -1.177200
|
||
|
|
-0.448200 0.034900 -0.073300 -0.531600 -0.933300
|
||
|
|
-1.360700 -2.009200 -2.745700 -3.424900
|
||
|
|
|
||
|
|
# -60
|
||
|
|
-5.408000 -5.355100 -4.640100 -3.283200 -1.710200
|
||
|
|
-0.423800 0.354400 -0.103700 -1.577700 -2.828300
|
||
|
|
-3.151200 -2.649200 -2.183000 -1.761200 -0.981700
|
||
|
|
-0.174700 0.262600 0.039200 -0.663000 -1.530700
|
||
|
|
-2.478200 -3.465600 -4.334200 -5.011200
|
||
|
|
|
||
|
|
# -45
|
||
|
|
-6.093200 -5.298400 -3.816620 -1.922530 -0.196160
|
||
|
|
0.768200 0.568500 -0.831300 -2.343900 -3.037100
|
||
|
|
-2.663700 -2.191100 -2.022900 -1.438500 -0.649000
|
||
|
|
0.077000 0.441500 0.257500 -0.491100 -1.820600
|
||
|
|
-3.473100 -4.895200 -5.790700 -6.205900
|
||
|
|
|
||
|
|
# -30
|
||
|
|
-5.258225 -3.675795 -1.631110 0.430085 1.496470
|
||
|
|
0.318200 -0.555100 -1.695500 -2.434200 -2.192600
|
||
|
|
-1.691300 -1.890000 -1.708500 -1.206300 -0.567400
|
||
|
|
0.054300 0.497200 0.599600 -0.171000 -2.137600
|
||
|
|
-4.237000 -5.584100 -6.135100 -6.067000
|
||
|
|
|
||
|
|
# -15
|
||
|
|
-3.161820 -0.902080 1.432450 -1.452885 -1.560780
|
||
|
|
-1.665600 -1.783100 -1.755100 -1.329300 -0.731100
|
||
|
|
-1.317000 -1.662800 -1.601200 -1.294900 -0.817300
|
||
|
|
-0.197100 0.549500 0.850400 -0.689700 -2.819900
|
||
|
|
-4.393000 -5.111500 -5.205690 -4.654785
|
||
|
|
|
||
|
|
# 0
|
||
|
|
0.034035 -2.349860 -3.412065 -3.620070 -3.450950
|
||
|
|
-2.875650 -1.787800 -0.541250 0.410450 -0.372500
|
||
|
|
-1.126850 -1.498450 -1.608700 -1.498450 -1.126850
|
||
|
|
-0.372500 0.410450 -0.541250 -1.787800 -2.875650
|
||
|
|
-3.450950 -3.620070 -3.412065 -2.349860
|
||
|
|
|
||
|
|
# 15
|
||
|
|
-3.162345 -4.654785 -5.205690 -5.111500 -4.393000
|
||
|
|
-2.819900 -0.689700 0.850400 0.549500 -0.197100
|
||
|
|
-0.817300 -1.294900 -1.601200 -1.662800 -1.317000
|
||
|
|
-0.731100 -1.329300 -1.755100 -1.783100 -1.665600
|
||
|
|
-1.560780 -1.452885 1.432450 -0.902080
|
||
|
|
|
||
|
|
# 30
|
||
|
|
-5.258220 -6.067000 -6.135100 -5.584100 -4.237000
|
||
|
|
-2.137600 -0.171000 0.599600 0.497200 0.054300
|
||
|
|
-0.567400 -1.206300 -1.708500 -1.890000 -1.691300
|
||
|
|
-2.192600 -2.434200 -1.695500 -0.555100 0.318200
|
||
|
|
1.496470 0.430085 -1.631110 -3.675795
|
||
|
|
|
||
|
|
# 45
|
||
|
|
-6.093300 -6.205900 -5.790700 -4.895200 -3.473100
|
||
|
|
-1.820600 -0.491100 0.257500 0.441500 0.077000
|
||
|
|
-0.649000 -1.438500 -2.022900 -2.191100 -2.663700
|
||
|
|
-3.037100 -2.343900 -0.831300 0.568500 0.768200
|
||
|
|
-0.196160 -1.922530 -3.816620 -5.298400
|
||
|
|
|
||
|
|
# 60
|
||
|
|
-5.407500 -5.011200 -4.334200 -3.465600 -2.478200
|
||
|
|
-1.530700 -0.663000 0.039200 0.262600 -0.174700
|
||
|
|
-0.981700 -1.761200 -2.183000 -2.649200 -3.151200
|
||
|
|
-2.828300 -1.577700 -0.103700 0.354400 -0.423800
|
||
|
|
-1.710200 -3.283200 -4.640100 -5.355100
|
||
|
|
|
||
|
|
# 75
|
||
|
|
-3.961900 -3.424900 -2.745700 -2.009200 -1.360700
|
||
|
|
-0.933300 -0.531600 -0.073300 0.034900 -0.448200
|
||
|
|
-1.177200 -1.730400 -2.247900 -2.898500 -2.932100
|
||
|
|
-2.127700 -0.746200 0.487300 -0.209800 -1.140400
|
||
|
|
-2.252200 -3.364700 -4.109000 -4.268200
|
||
|
|
|
||
|
|
# 90
|
||
|
|
-2.854500 -2.373200 -1.741000 -1.038600 -0.439600
|
||
|
|
-0.136100 -0.097400 0.000000 -0.022700 -0.426400
|
||
|
|
-0.930800 -1.582200 -2.450300 -2.869400 -2.558800
|
||
|
|
-1.470600 -0.045300 0.288100 -0.476500 -1.242900
|
||
|
|
-2.054300 -2.785300 -3.199500 -3.181100
|
||
|
|
|
||
|
|
# 105
|
||
|
|
-2.246400 -1.840100 -1.237900 -0.529800 0.098300
|
||
|
|
0.494000 0.584300 0.553500 0.496000 0.107000
|
||
|
|
-0.719800 -1.847100 -2.668600 -2.882200 -2.299200
|
||
|
|
-0.918300 0.734000 0.144700 -0.429100 -0.980600
|
||
|
|
-1.577700 -2.135600 -2.473700 -2.487000
|
||
|
|
|
||
|
|
# 120
|
||
|
|
-1.788800 -1.404300 -0.823700 -0.153900 0.448200
|
||
|
|
0.881800 1.133600 1.245300 1.098100 0.308700
|
||
|
|
-0.960300 -2.137900 -2.848500 -2.883200 -1.977500
|
||
|
|
0.976300 0.634600 0.321300 -0.015100 -0.401000
|
||
|
|
-0.896500 -1.447900 -1.860700 -1.965500
|
||
|
|
|
||
|
|
# 135
|
||
|
|
-1.208900 -0.823200 -0.315500 0.246000 0.765300
|
||
|
|
1.193900 1.521300 1.668300 1.322000 0.279600
|
||
|
|
-1.065700 -2.199100 -2.829400 -2.651200 0.943500
|
||
|
|
0.670300 0.850100 0.879300 0.737600 0.454400
|
||
|
|
-0.112400 -0.817500 -1.319200 -1.429400
|
||
|
|
|
||
|
|
# 150
|
||
|
|
-0.533400 -0.209000 0.150600 0.562200 0.995600
|
||
|
|
1.435200 1.833100 1.984800 1.517000 0.407900
|
||
|
|
-0.934600 -2.036600 2.959500 0.738500 0.065700
|
||
|
|
0.615100 1.302200 1.618100 1.641000 1.168000
|
||
|
|
0.365300 -0.379800 -0.804600 -0.807400
|
||
|
|
|
||
|
|
# 165
|
||
|
|
0.019900 0.182800 0.348400 0.623800 1.027400
|
||
|
|
1.529800 2.026400 2.205800 1.713100 0.594100
|
||
|
|
-0.730100 3.704000 0.837800 -0.703500 -0.373700
|
||
|
|
0.688500 1.683900 2.188200 2.046200 1.392400
|
||
|
|
0.620800 0.014200 -0.269700 -0.203800
|
||
|
|
|