REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1nsd_1_B DATA FIRST_RESID 76 DATA SEQUENCE EPEWTYPRLS cQGSTFQKAL LISPHRFGEA RGNSAPLIIR EPFIAcGPKE DATA SEQUENCE cKHFALTHYA AQPGGYYNGT REDRNKLRHL ISVKLGKIPT VENSIFHMAA DATA SEQUENCE WSGSAcHDGR EWTYIGVDGP DSNALIKIKY GEAYTDTYHS YANNILRTQE DATA SEQUENCE SAcNcIGGDc YLMITDGSAS GISKCRFLKI REGRIIKEIF PTGRVEHTEE DATA SEQUENCE cTcGFASNKT IEcAcRDNSY TAKRPFVKLN VETDTAEIRL McTETYLDTP DATA SEQUENCE RPDDGSITGP cESNGDKGRG GIKGGFVHQR MASKIGRWYS RTMSKTERMG DATA SEQUENCE MELYVRYDGD PWTDSDALAH SGVMVSMKEP GWYSFGFEIK DKKcDVPcIG DATA SEQUENCE IEMVHDGGKK TWHSAATAIY cLMGSGQLLW DTVTGVDMAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 76 E HA 0.000 nan 4.350 nan 0.000 0.291 76 E C 0.000 176.518 176.600 -0.137 0.000 1.382 76 E CA 0.000 56.327 56.400 -0.123 0.000 0.976 76 E CB 0.000 29.594 29.700 -0.177 0.000 0.812 77 P HA 0.059 nan 4.420 nan 0.000 0.268 77 P C -1.151 175.997 177.300 -0.254 0.000 1.208 77 P CA -0.194 62.813 63.100 -0.156 0.000 0.777 77 P CB 0.634 32.255 31.700 -0.132 0.000 0.875 78 E N -1.276 118.824 120.200 -0.168 0.000 2.254 78 E HA 0.049 nan 4.350 nan 0.000 0.261 78 E C -1.300 175.230 176.600 -0.117 0.000 1.051 78 E CA -1.659 54.631 56.400 -0.185 0.000 0.902 78 E CB 1.537 31.225 29.700 -0.020 0.000 1.168 78 E HN -0.008 8.297 8.360 -0.091 0.000 0.423 79 W N -1.299 120.030 121.300 0.048 0.000 2.170 79 W HA -0.041 nan 4.660 nan 0.000 0.336 79 W C 0.467 176.967 176.519 -0.031 0.000 1.283 79 W CA -0.468 56.854 57.345 -0.039 0.000 1.224 79 W CB 0.992 30.380 29.460 -0.120 0.000 1.132 79 W HN -0.187 8.087 8.180 0.156 0.000 0.571 80 T N 3.703 118.349 114.554 0.153 0.000 2.918 80 T HA 0.122 nan 4.350 nan 0.000 0.302 80 T C -1.296 173.263 174.700 -0.235 0.000 1.045 80 T CA 1.347 63.475 62.100 0.047 0.000 1.114 80 T CB 0.616 69.513 68.868 0.049 0.000 0.965 80 T HN 0.324 8.577 8.240 0.208 0.111 0.540 81 Y N 0.717 120.990 120.300 -0.046 0.000 2.545 81 Y HA 0.357 nan 4.550 nan 0.000 0.348 81 Y C -2.072 173.697 175.900 -0.218 0.000 1.002 81 Y CA -3.587 54.408 58.100 -0.175 0.000 1.039 81 Y CB 2.216 40.596 38.460 -0.134 0.000 1.271 81 Y HN 0.034 8.447 8.280 0.221 0.000 0.467 82 P HA 0.105 nan 4.420 nan 0.000 0.268 82 P C -1.566 175.707 177.300 -0.045 0.000 1.204 82 P CA -0.084 62.920 63.100 -0.160 0.000 0.768 82 P CB 0.379 31.914 31.700 -0.276 0.000 0.842 83 R N 1.612 122.110 120.500 -0.004 0.000 2.875 83 R HA 0.370 nan 4.340 nan 0.000 0.251 83 R C -0.645 175.661 176.300 0.010 0.000 1.123 83 R CA -2.468 53.633 56.100 0.003 0.000 1.064 83 R CB 2.748 33.055 30.300 0.013 0.000 1.205 83 R HN 0.347 8.970 8.270 0.008 -0.349 0.503 84 L N 0.273 121.502 121.223 0.011 0.000 2.461 84 L HA 0.074 nan 4.340 nan 0.000 0.272 84 L C 0.484 177.371 176.870 0.029 0.000 1.197 84 L CA 0.460 55.314 54.840 0.023 0.000 0.836 84 L CB 0.153 42.224 42.059 0.020 0.000 1.105 84 L HN 0.334 8.567 8.230 0.004 0.000 0.477 85 S N 2.211 117.938 115.700 0.045 0.000 2.593 85 S HA 0.030 nan 4.470 nan 0.000 0.269 85 S C 0.035 174.650 174.600 0.026 0.000 1.334 85 S CA 0.808 59.032 58.200 0.039 0.000 1.015 85 S CB 0.513 63.755 63.200 0.070 0.000 0.912 85 S HN 0.116 8.352 8.310 0.060 0.110 0.541 86 c N 2.261 120.862 118.600 0.002 0.000 2.700 86 c HA -0.070 nan 4.570 nan 0.000 0.397 86 c C -0.778 173.315 174.090 0.004 0.000 1.301 86 c CA 0.866 57.191 56.329 -0.007 0.000 2.219 86 c CB -0.134 42.356 42.510 -0.032 0.000 2.699 86 c HN 0.317 8.443 8.230 -0.013 0.097 0.669 87 Q N 2.733 122.537 119.800 0.006 0.000 2.364 87 Q HA -0.078 nan 4.340 nan 0.000 0.267 87 Q C -0.360 175.649 176.000 0.014 0.000 0.999 87 Q CA 0.986 56.800 55.803 0.020 0.000 0.886 87 Q CB 0.945 29.691 28.738 0.014 0.000 1.243 87 Q HN 0.402 8.672 8.270 -0.001 0.000 0.415 88 G N 0.458 109.285 108.800 0.044 0.000 2.325 88 G HA2 0.067 nan 3.960 nan 0.000 0.297 88 G HA3 0.067 nan 3.960 nan 0.000 0.297 88 G C -2.074 172.904 174.900 0.130 0.000 1.448 88 G CA 0.067 45.194 45.100 0.045 0.000 0.838 88 G HN -0.191 8.144 8.290 0.074 0.000 0.579 89 S N -3.458 112.341 115.700 0.165 0.000 2.820 89 S HA 0.123 nan 4.470 nan 0.000 0.265 89 S C -0.656 174.185 174.600 0.402 0.000 1.043 89 S CA -0.443 57.939 58.200 0.303 0.000 1.245 89 S CB 2.165 65.483 63.200 0.198 0.000 1.187 89 S HN 0.396 8.775 8.310 0.116 0.000 0.673 90 T N 1.376 116.088 114.554 0.263 0.000 2.864 90 T HA 0.314 nan 4.350 nan 0.000 0.299 90 T C -2.035 172.756 174.700 0.151 0.000 1.166 90 T CA -0.792 61.483 62.100 0.292 0.000 1.007 90 T CB 2.002 70.999 68.868 0.216 0.000 1.219 90 T HN -0.803 7.525 8.240 0.146 0.000 0.506 91 F N 1.116 120.961 119.950 -0.175 0.000 2.403 91 F HA 0.779 nan 4.527 nan 0.000 0.326 91 F C -0.746 175.064 175.800 0.017 0.000 1.081 91 F CA -1.623 56.268 58.000 -0.182 0.000 1.041 91 F CB 1.799 40.660 39.000 -0.232 0.000 1.234 91 F HN 0.403 8.894 8.300 0.319 0.000 0.503 92 Q N -2.212 117.679 119.800 0.153 0.000 2.462 92 Q HA 0.318 nan 4.340 nan 0.000 0.285 92 Q C -1.824 174.125 176.000 -0.084 0.000 1.035 92 Q CA -2.243 53.635 55.803 0.125 0.000 0.799 92 Q CB 4.736 33.481 28.738 0.012 0.000 1.452 92 Q HN 0.497 8.768 8.270 0.002 0.000 0.404 93 K N 1.977 122.218 120.400 -0.265 0.000 2.436 93 K HA -0.192 nan 4.320 nan 0.000 0.282 93 K C -0.837 175.543 176.600 -0.367 0.000 1.044 93 K CA 1.085 56.916 56.287 -0.759 0.000 1.028 93 K CB 0.231 32.533 32.500 -0.331 0.000 0.919 93 K HN 0.470 8.727 8.250 0.011 0.000 0.474 94 A N 7.856 130.441 122.820 -0.390 0.000 1.944 94 A HA 0.223 nan 4.320 nan 0.000 0.209 94 A C -1.153 176.369 177.584 -0.104 0.000 1.328 94 A CA 0.525 52.455 52.037 -0.178 0.000 0.693 94 A CB 1.392 20.317 19.000 -0.125 0.000 0.994 94 A HN 0.813 8.606 8.150 -0.595 0.000 0.485 95 L N -1.632 119.534 121.223 -0.095 0.000 2.545 95 L HA 0.271 nan 4.340 nan 0.000 0.258 95 L C -2.715 174.155 176.870 0.001 0.000 0.942 95 L CA 0.756 55.584 54.840 -0.022 0.000 0.855 95 L CB 4.177 46.243 42.059 0.011 0.000 1.374 95 L HN -0.542 7.598 8.230 -0.149 0.000 0.411 96 L N 3.877 125.117 121.223 0.028 0.000 2.333 96 L HA 0.678 nan 4.340 nan 0.000 0.280 96 L C -1.279 175.638 176.870 0.079 0.000 1.004 96 L CA -0.641 54.233 54.840 0.057 0.000 0.820 96 L CB 1.740 43.830 42.059 0.052 0.000 1.247 96 L HN 0.136 8.382 8.230 0.026 0.000 0.416 97 I N 8.284 128.918 120.570 0.107 0.000 2.330 97 I HA 0.228 nan 4.170 nan 0.000 0.286 97 I C -1.612 174.592 176.117 0.144 0.000 1.025 97 I CA -1.460 59.926 61.300 0.144 0.000 1.197 97 I CB -0.558 37.579 38.000 0.228 0.000 1.358 97 I HN 0.823 9.098 8.210 0.110 0.000 0.467 98 S N 7.443 123.210 115.700 0.111 0.000 2.406 98 S HA 0.482 nan 4.470 nan 0.000 0.224 98 S C -1.230 173.387 174.600 0.027 0.000 1.426 98 S CA -4.559 53.698 58.200 0.096 0.000 1.179 98 S CB 0.658 63.892 63.200 0.056 0.000 1.042 98 S HN 0.489 8.865 8.310 0.111 0.000 0.479 99 P HA -0.066 nan 4.420 nan 0.000 0.220 99 P C 0.769 177.930 177.300 -0.233 0.000 1.152 99 P CA 1.570 64.621 63.100 -0.081 0.000 0.812 99 P CB 0.231 31.775 31.700 -0.260 0.000 0.792 100 H N -4.020 115.025 119.070 -0.043 0.000 2.556 100 H HA 0.014 nan 4.556 nan 0.000 0.268 100 H C 1.674 176.852 175.328 -0.249 0.000 0.996 100 H CA 1.916 57.853 56.048 -0.185 0.000 1.157 100 H CB -0.790 28.823 29.762 -0.250 0.000 1.355 100 H HN 0.186 8.417 8.280 -0.022 0.036 0.597 101 R N -0.637 119.662 120.500 -0.336 0.000 2.293 101 R HA -0.208 nan 4.340 nan 0.000 0.219 101 R C 0.446 176.343 176.300 -0.673 0.000 1.091 101 R CA 2.023 57.782 56.100 -0.568 0.000 1.004 101 R CB -0.640 29.143 30.300 -0.861 0.000 0.865 101 R HN -0.336 7.590 8.270 -0.320 0.152 0.469 102 F N -4.599 115.308 119.950 -0.071 0.000 2.698 102 F HA 0.277 nan 4.527 nan 0.000 0.304 102 F C -0.433 175.310 175.800 -0.096 0.000 1.108 102 F CA -1.238 56.715 58.000 -0.077 0.000 1.263 102 F CB -0.229 38.718 39.000 -0.088 0.000 1.013 102 F HN -0.601 7.381 8.300 -0.260 0.161 0.532 103 G N -1.431 107.362 108.800 -0.012 0.000 3.502 103 G HA2 0.072 nan 3.960 nan 0.000 0.267 103 G HA3 0.072 nan 3.960 nan 0.000 0.267 103 G C -1.025 173.839 174.900 -0.059 0.000 1.090 103 G CA -0.427 44.632 45.100 -0.068 0.000 0.795 103 G HN -0.695 7.489 8.290 -0.062 0.069 0.535 104 E N 0.259 120.451 120.200 -0.013 0.000 2.415 104 E HA -0.135 nan 4.350 nan 0.000 0.262 104 E C 0.380 176.990 176.600 0.017 0.000 1.038 104 E CA -0.082 56.322 56.400 0.008 0.000 0.921 104 E CB 0.754 30.465 29.700 0.018 0.000 0.950 104 E HN -0.351 7.941 8.360 0.004 0.070 0.438 105 A N 5.802 128.640 122.820 0.031 0.000 1.978 105 A HA -0.214 nan 4.320 nan 0.000 0.220 105 A C 0.268 177.866 177.584 0.023 0.000 1.170 105 A CA 2.385 54.443 52.037 0.034 0.000 0.636 105 A CB -0.705 18.323 19.000 0.047 0.000 0.810 105 A HN 0.343 8.405 8.150 0.042 0.112 0.448 106 R N -3.105 117.408 120.500 0.023 0.000 2.317 106 R HA 0.064 nan 4.340 nan 0.000 0.208 106 R C 0.163 176.475 176.300 0.019 0.000 0.914 106 R CA -0.289 55.822 56.100 0.019 0.000 1.060 106 R CB -0.061 30.250 30.300 0.019 0.000 1.015 106 R HN 0.039 8.307 8.270 0.026 0.017 0.498 107 G N 0.666 109.480 108.800 0.023 0.000 2.532 107 G HA2 0.040 nan 3.960 nan 0.000 0.291 107 G HA3 0.040 nan 3.960 nan 0.000 0.291 107 G C -1.125 173.785 174.900 0.017 0.000 1.349 107 G CA -0.795 44.323 45.100 0.030 0.000 1.038 107 G HN -0.381 7.743 8.290 0.022 0.179 0.518 108 N N -1.232 117.475 118.700 0.012 0.000 2.299 108 N HA 0.191 nan 4.740 nan 0.000 0.246 108 N C -0.845 174.653 175.510 -0.019 0.000 1.254 108 N CA 0.040 53.086 53.050 -0.006 0.000 0.879 108 N CB 1.117 39.596 38.487 -0.014 0.000 1.214 108 N HN 0.268 8.661 8.380 0.021 0.000 0.510 109 S N 0.953 116.646 115.700 -0.011 0.000 2.704 109 S HA 0.194 nan 4.470 nan 0.000 0.305 109 S C -1.635 172.949 174.600 -0.027 0.000 1.107 109 S CA -0.721 57.460 58.200 -0.033 0.000 0.993 109 S CB 1.747 64.930 63.200 -0.028 0.000 1.110 109 S HN -0.524 7.792 8.310 0.010 0.000 0.534 110 A N 1.406 124.199 122.820 -0.045 0.000 3.258 110 A HA 0.383 nan 4.320 nan 0.000 0.318 110 A C -2.744 174.802 177.584 -0.064 0.000 0.990 110 A CA -3.087 48.928 52.037 -0.036 0.000 0.885 110 A CB 0.214 19.203 19.000 -0.018 0.000 1.090 110 A HN 0.130 8.243 8.150 -0.063 0.000 0.479 111 P HA 0.075 nan 4.420 nan 0.000 0.267 111 P C -1.255 175.973 177.300 -0.120 0.000 1.205 111 P CA -0.119 62.867 63.100 -0.191 0.000 0.765 111 P CB 0.267 31.725 31.700 -0.403 0.000 0.828 112 L N 2.522 123.686 121.223 -0.098 0.000 2.439 112 L HA 0.166 nan 4.340 nan 0.000 0.269 112 L C 0.036 176.960 176.870 0.091 0.000 1.179 112 L CA -0.360 54.473 54.840 -0.011 0.000 0.828 112 L CB 0.690 42.700 42.059 -0.081 0.000 1.106 112 L HN -0.274 7.870 8.230 -0.143 0.000 0.467 113 I N 1.713 122.391 120.570 0.181 0.000 2.396 113 I HA -0.015 nan 4.170 nan 0.000 0.289 113 I C -1.108 175.148 176.117 0.231 0.000 1.056 113 I CA 0.842 62.295 61.300 0.255 0.000 1.365 113 I CB -0.497 37.669 38.000 0.276 0.000 1.407 113 I HN 0.454 8.767 8.210 0.172 0.000 0.509 114 I N 2.279 122.976 120.570 0.212 0.000 3.095 114 I HA 0.955 nan 4.170 nan 0.000 0.310 114 I C -1.806 174.389 176.117 0.130 0.000 1.196 114 I CA -2.063 59.322 61.300 0.142 0.000 0.985 114 I CB 4.364 42.395 38.000 0.052 0.000 1.250 114 I HN 0.291 8.647 8.210 0.242 0.000 0.446 115 R N -0.616 119.945 120.500 0.103 0.000 2.766 115 R HA 0.345 nan 4.340 nan 0.000 0.270 115 R C -1.431 174.919 176.300 0.082 0.000 1.035 115 R CA -0.971 55.161 56.100 0.053 0.000 0.911 115 R CB 4.469 34.804 30.300 0.057 0.000 1.243 115 R HN -0.112 8.215 8.270 0.096 0.000 0.460 116 E N -2.703 117.540 120.200 0.072 0.000 2.252 116 E HA -0.304 nan 4.350 nan 0.000 0.218 116 E C -2.324 174.433 176.600 0.262 0.000 1.253 116 E CA 0.704 57.218 56.400 0.190 0.000 0.705 116 E CB -2.096 27.739 29.700 0.225 0.000 1.172 116 E HN -0.114 8.540 8.360 -0.016 -0.304 0.369 117 P HA -0.001 nan 4.420 nan 0.000 0.271 117 P C -1.635 175.696 177.300 0.052 0.000 1.218 117 P CA 0.212 63.428 63.100 0.193 0.000 0.780 117 P CB 0.774 32.665 31.700 0.319 0.000 0.901 118 F N -4.678 115.094 119.950 -0.296 0.000 2.713 118 F HA 0.433 nan 4.527 nan 0.000 0.311 118 F C -2.462 173.089 175.800 -0.416 0.000 1.141 118 F CA -2.290 55.081 58.000 -1.048 0.000 0.939 118 F CB 2.211 40.766 39.000 -0.741 0.000 1.325 118 F HN 0.107 8.210 8.300 -0.328 0.000 0.453 119 I N -0.316 120.052 120.570 -0.336 0.000 2.569 119 I HA 0.702 nan 4.170 nan 0.000 0.296 119 I C -1.570 174.610 176.117 0.105 0.000 1.028 119 I CA -1.405 59.753 61.300 -0.236 0.000 1.082 119 I CB 3.726 41.224 38.000 -0.836 0.000 1.264 119 I HN 0.249 8.201 8.210 -0.430 0.000 0.429 120 A N 4.920 127.937 122.820 0.328 0.000 2.486 120 A HA 0.605 nan 4.320 nan 0.000 0.300 120 A C -2.572 175.345 177.584 0.556 0.000 1.048 120 A CA -1.365 50.982 52.037 0.517 0.000 0.696 120 A CB 3.487 22.908 19.000 0.701 0.000 1.278 120 A HN 0.549 8.881 8.150 0.303 0.000 0.405 121 c N 0.730 119.586 118.600 0.426 0.000 2.561 121 c HA 0.952 nan 4.570 nan 0.000 0.319 121 c C 0.303 174.431 174.090 0.064 0.000 1.198 121 c CA -1.828 54.685 56.329 0.307 0.000 1.665 121 c CB 2.933 45.598 42.510 0.258 0.000 2.258 121 c HN 0.677 9.140 8.230 0.388 0.000 0.493 122 G N 0.321 109.039 108.800 -0.136 0.000 2.753 122 G HA2 0.503 nan 3.960 nan 0.000 0.285 122 G HA3 0.503 nan 3.960 nan 0.000 0.285 122 G C -2.274 172.498 174.900 -0.213 0.000 1.344 122 G CA -1.271 43.525 45.100 -0.508 0.000 1.050 122 G HN 0.639 8.945 8.290 0.026 0.000 0.532 123 P HA -0.063 nan 4.420 nan 0.000 0.218 123 P C -0.226 177.049 177.300 -0.043 0.000 1.149 123 P CA 1.824 64.884 63.100 -0.067 0.000 0.817 123 P CB 0.379 32.055 31.700 -0.041 0.000 0.785 124 K N -5.051 115.313 120.400 -0.060 0.000 2.350 124 K HA 0.130 nan 4.320 nan 0.000 0.196 124 K C -0.043 176.564 176.600 0.012 0.000 1.084 124 K CA 0.110 56.387 56.287 -0.016 0.000 0.967 124 K CB 0.956 33.450 32.500 -0.011 0.000 0.950 124 K HN -0.123 8.018 8.250 -0.124 0.035 0.512 125 E N -2.699 117.518 120.200 0.029 0.000 2.433 125 E HA 0.178 nan 4.350 nan 0.000 0.278 125 E C -2.326 174.359 176.600 0.142 0.000 0.976 125 E CA -1.463 54.982 56.400 0.075 0.000 0.793 125 E CB 2.406 32.153 29.700 0.078 0.000 1.311 125 E HN -0.581 7.776 8.360 -0.005 0.000 0.460 126 c N -0.022 118.656 118.600 0.130 0.000 2.454 126 c HA 0.867 nan 4.570 nan 0.000 0.336 126 c C -0.527 173.596 174.090 0.055 0.000 1.189 126 c CA -1.217 55.210 56.329 0.163 0.000 1.877 126 c CB 2.244 44.822 42.510 0.113 0.000 2.348 126 c HN 0.586 8.865 8.230 0.082 0.000 0.508 127 K N 0.876 121.271 120.400 -0.008 0.000 2.316 127 K HA 0.665 nan 4.320 nan 0.000 0.251 127 K C -2.086 174.260 176.600 -0.422 0.000 0.934 127 K CA -1.270 54.777 56.287 -0.401 0.000 0.802 127 K CB 3.442 35.358 32.500 -0.973 0.000 1.171 127 K HN 0.967 9.326 8.250 0.182 0.000 0.426 128 H N 3.925 122.645 119.070 -0.583 0.000 2.581 128 H HA 0.555 nan 4.556 nan 0.000 0.308 128 H C -1.304 173.633 175.328 -0.650 0.000 1.040 128 H CA -2.484 53.286 56.048 -0.463 0.000 1.231 128 H CB 1.882 31.478 29.762 -0.277 0.000 1.396 128 H HN 0.500 8.532 8.280 -0.414 0.000 0.467 129 F N 6.824 126.511 119.950 -0.439 0.000 2.403 129 F HA 0.576 nan 4.527 nan 0.000 0.326 129 F C -1.462 174.042 175.800 -0.494 0.000 1.081 129 F CA -1.098 56.518 58.000 -0.640 0.000 1.041 129 F CB 2.780 41.029 39.000 -1.252 0.000 1.234 129 F HN 0.747 8.890 8.300 -0.263 0.000 0.503 130 A N -1.417 121.318 122.820 -0.142 0.000 2.601 130 A HA 0.752 nan 4.320 nan 0.000 0.291 130 A C -2.625 174.964 177.584 0.008 0.000 1.075 130 A CA -0.217 51.791 52.037 -0.048 0.000 0.671 130 A CB 3.450 22.388 19.000 -0.103 0.000 1.277 130 A HN 0.304 8.399 8.150 -0.093 0.000 0.417 131 L N -0.901 120.359 121.223 0.061 0.000 2.262 131 L HA 0.569 nan 4.340 nan 0.000 0.288 131 L C -0.492 176.385 176.870 0.012 0.000 1.035 131 L CA -1.302 53.571 54.840 0.055 0.000 0.820 131 L CB 0.479 42.595 42.059 0.096 0.000 1.204 131 L HN 0.285 8.569 8.230 0.090 0.000 0.424 132 T N 5.429 119.980 114.554 -0.006 0.000 2.899 132 T HA 0.325 nan 4.350 nan 0.000 0.284 132 T C 0.175 174.913 174.700 0.063 0.000 1.004 132 T CA -1.067 61.045 62.100 0.020 0.000 1.043 132 T CB 1.580 70.407 68.868 -0.068 0.000 1.013 132 T HN 0.855 9.091 8.240 -0.007 0.000 0.518 133 H N 6.839 126.025 119.070 0.195 0.000 2.526 133 H HA 0.040 nan 4.556 nan 0.000 0.274 133 H C -0.240 175.274 175.328 0.310 0.000 0.999 133 H CA -0.462 55.735 56.048 0.247 0.000 1.157 133 H CB 0.379 30.275 29.762 0.224 0.000 1.407 133 H HN 0.488 8.939 8.280 0.284 0.000 0.568 134 Y N -2.586 117.859 120.300 0.240 0.000 3.178 134 Y HA -0.567 nan 4.550 nan 0.000 0.200 134 Y C -1.557 174.427 175.900 0.140 0.000 1.427 134 Y CA 0.275 58.492 58.100 0.194 0.000 1.250 134 Y CB -1.930 36.595 38.460 0.108 0.000 1.421 134 Y HN -0.403 7.950 8.280 0.249 0.076 0.506 135 A N -2.600 120.395 122.820 0.292 0.000 2.589 135 A HA 0.240 nan 4.320 nan 0.000 0.296 135 A C -3.019 174.708 177.584 0.239 0.000 1.062 135 A CA -0.554 51.663 52.037 0.300 0.000 0.686 135 A CB 3.930 23.154 19.000 0.374 0.000 1.282 135 A HN -0.601 7.692 8.150 0.239 0.000 0.404 136 A N 0.281 123.234 122.820 0.221 0.000 2.346 136 A HA 0.840 nan 4.320 nan 0.000 0.313 136 A C -1.450 176.236 177.584 0.171 0.000 1.140 136 A CA -1.667 50.458 52.037 0.146 0.000 0.826 136 A CB 2.575 21.627 19.000 0.086 0.000 1.332 136 A HN 0.199 8.500 8.150 0.251 0.000 0.457 137 Q N -0.600 119.233 119.800 0.055 0.000 2.331 137 Q HA 0.430 nan 4.340 nan 0.000 0.267 137 Q C -2.699 173.283 176.000 -0.031 0.000 1.006 137 Q CA -3.688 52.100 55.803 -0.025 0.000 0.818 137 Q CB 2.666 31.150 28.738 -0.423 0.000 1.276 137 Q HN -0.168 8.107 8.270 0.009 0.000 0.450 138 P HA 0.344 nan 4.420 nan 0.000 0.274 138 P C -1.572 175.778 177.300 0.083 0.000 1.231 138 P CA -0.600 62.554 63.100 0.091 0.000 0.790 138 P CB 0.739 32.471 31.700 0.053 0.000 0.951 139 G N -0.673 108.134 108.800 0.012 0.000 2.488 139 G HA2 0.049 nan 3.960 nan 0.000 0.301 139 G HA3 0.049 nan 3.960 nan 0.000 0.301 139 G C -1.259 173.322 174.900 -0.532 0.000 1.339 139 G CA 0.302 45.315 45.100 -0.144 0.000 0.803 139 G HN -0.590 7.712 8.290 0.020 0.000 0.482 140 G N -1.815 106.659 108.800 -0.544 0.000 3.519 140 G HA2 0.236 nan 3.960 nan 0.000 0.269 140 G HA3 0.236 nan 3.960 nan 0.000 0.269 140 G C -0.142 174.312 174.900 -0.744 0.000 1.028 140 G CA 0.092 44.776 45.100 -0.694 0.000 0.809 140 G HN 0.041 8.081 8.290 -0.417 0.000 0.521 141 Y N -1.129 119.050 120.300 -0.203 0.000 2.781 141 Y HA 0.308 nan 4.550 nan 0.000 0.326 141 Y C -0.237 175.742 175.900 0.132 0.000 1.019 141 Y CA -2.239 55.853 58.100 -0.013 0.000 1.372 141 Y CB -0.977 37.522 38.460 0.066 0.000 1.260 141 Y HN -0.063 8.075 8.280 -0.237 0.000 0.546 142 Y N -2.226 118.164 120.300 0.150 0.000 2.439 142 Y HA -0.190 nan 4.550 nan 0.000 0.292 142 Y C 0.356 176.313 175.900 0.095 0.000 1.130 142 Y CA -0.496 57.694 58.100 0.149 0.000 1.254 142 Y CB -0.591 37.969 38.460 0.168 0.000 1.000 142 Y HN -0.167 7.959 8.280 -0.167 0.054 0.554 143 N N 0.092 118.926 118.700 0.223 0.000 2.454 143 N HA -0.273 nan 4.740 nan 0.000 0.260 143 N C 0.818 176.387 175.510 0.098 0.000 1.218 143 N CA 1.235 54.363 53.050 0.130 0.000 0.904 143 N CB -0.030 38.515 38.487 0.097 0.000 1.065 143 N HN -0.410 8.055 8.380 0.190 0.028 0.462 144 G N 2.748 111.569 108.800 0.035 0.000 2.176 144 G HA2 -0.384 nan 3.960 nan 0.000 0.253 144 G HA3 -0.384 nan 3.960 nan 0.000 0.253 144 G C 0.918 175.724 174.900 -0.157 0.000 0.979 144 G CA 0.612 45.709 45.100 -0.004 0.000 0.641 144 G HN 0.704 9.009 8.290 0.025 0.000 0.530 145 T N -3.551 110.867 114.554 -0.226 0.000 3.160 145 T HA -0.173 nan 4.350 nan 0.000 0.257 145 T C 0.834 175.304 174.700 -0.384 0.000 1.147 145 T CA 1.338 63.058 62.100 -0.633 0.000 1.064 145 T CB -0.400 68.359 68.868 -0.180 0.000 0.949 145 T HN -0.306 7.848 8.240 -0.055 0.053 0.526 146 R N -0.434 119.929 120.500 -0.228 0.000 2.359 146 R HA -0.007 nan 4.340 nan 0.000 0.231 146 R C -0.441 175.797 176.300 -0.103 0.000 0.913 146 R CA -0.136 55.791 56.100 -0.288 0.000 1.075 146 R CB -0.081 29.972 30.300 -0.412 0.000 1.087 146 R HN 0.079 8.207 8.270 -0.175 0.037 0.515 147 E N -0.642 119.553 120.200 -0.009 0.000 2.318 147 E HA -0.003 nan 4.350 nan 0.000 0.265 147 E C -0.048 176.670 176.600 0.196 0.000 1.069 147 E CA -0.535 55.909 56.400 0.073 0.000 0.893 147 E CB 0.844 30.597 29.700 0.089 0.000 1.076 147 E HN -0.485 7.667 8.360 -0.072 0.165 0.414 148 D N 0.418 120.880 120.400 0.104 0.000 2.277 148 D HA -0.055 nan 4.640 nan 0.000 0.209 148 D C 0.147 176.467 176.300 0.033 0.000 0.970 148 D CA 2.204 56.264 54.000 0.100 0.000 0.874 148 D CB 1.118 41.943 40.800 0.041 0.000 0.982 148 D HN 0.402 8.797 8.370 0.041 0.000 0.504 149 R N -1.075 119.368 120.500 -0.096 0.000 2.628 149 R HA 0.199 nan 4.340 nan 0.000 0.288 149 R C -1.778 174.460 176.300 -0.103 0.000 0.980 149 R CA -0.390 55.531 56.100 -0.298 0.000 0.891 149 R CB 2.352 32.045 30.300 -1.012 0.000 1.188 149 R HN -0.078 8.144 8.270 -0.080 0.000 0.450 150 N N 0.832 119.578 118.700 0.078 0.000 3.261 150 N HA 0.041 nan 4.740 nan 0.000 0.248 150 N C -0.663 174.995 175.510 0.246 0.000 1.498 150 N CA -0.872 52.263 53.050 0.141 0.000 0.884 150 N CB 1.421 40.003 38.487 0.158 0.000 1.428 150 N HN 0.032 8.549 8.380 0.228 0.000 0.517 151 K N -0.589 119.918 120.400 0.178 0.000 2.525 151 K HA -0.051 nan 4.320 nan 0.000 0.192 151 K C -0.081 176.614 176.600 0.157 0.000 1.029 151 K CA 1.930 58.312 56.287 0.158 0.000 1.029 151 K CB -0.474 32.084 32.500 0.096 0.000 0.814 151 K HN 0.180 8.511 8.250 0.135 0.000 0.503 152 L N -1.782 119.557 121.223 0.194 0.000 2.500 152 L HA 0.073 nan 4.340 nan 0.000 0.219 152 L C -0.087 177.050 176.870 0.444 0.000 1.057 152 L CA -0.389 54.595 54.840 0.241 0.000 0.854 152 L CB 1.025 43.184 42.059 0.165 0.000 1.078 152 L HN 0.011 8.623 8.230 0.204 -0.259 0.480 153 R N -0.729 119.956 120.500 0.309 0.000 2.537 153 R HA -0.227 nan 4.340 nan 0.000 0.281 153 R C -0.538 175.926 176.300 0.273 0.000 0.988 153 R CA 1.564 57.812 56.100 0.247 0.000 1.077 153 R CB -0.242 30.129 30.300 0.118 0.000 0.932 153 R HN -0.378 8.325 8.270 0.255 -0.280 0.409 154 H N 2.017 121.192 119.070 0.176 0.000 2.768 154 H HA 0.539 nan 4.556 nan 0.000 0.371 154 H C -1.817 173.541 175.328 0.051 0.000 1.151 154 H CA -0.920 55.228 56.048 0.167 0.000 1.165 154 H CB 3.718 33.672 29.762 0.319 0.000 1.722 154 H HN 0.198 8.658 8.280 0.300 0.000 0.543 155 L N 3.212 124.507 121.223 0.119 0.000 2.319 155 L HA 0.491 nan 4.340 nan 0.000 0.280 155 L C -1.870 175.041 176.870 0.068 0.000 1.099 155 L CA -0.086 54.817 54.840 0.104 0.000 0.828 155 L CB 0.848 42.984 42.059 0.128 0.000 1.150 155 L HN 0.121 8.402 8.230 0.085 0.000 0.442 156 I N 1.840 122.374 120.570 -0.060 0.000 3.002 156 I HA 1.024 nan 4.170 nan 0.000 0.310 156 I C -2.292 173.717 176.117 -0.179 0.000 1.087 156 I CA -2.566 58.567 61.300 -0.279 0.000 1.017 156 I CB 3.754 41.335 38.000 -0.698 0.000 1.226 156 I HN 0.512 8.696 8.210 -0.043 0.000 0.443 157 S N -0.918 114.592 115.700 -0.317 0.000 2.607 157 S HA 0.756 nan 4.470 nan 0.000 0.273 157 S C -1.725 172.604 174.600 -0.452 0.000 1.148 157 S CA -1.371 56.526 58.200 -0.505 0.000 0.833 157 S CB 3.176 65.897 63.200 -0.800 0.000 1.130 157 S HN 0.054 8.123 8.310 -0.403 0.000 0.470 158 V N -6.764 112.876 119.914 -0.457 0.000 3.102 158 V HA 0.502 nan 4.120 nan 0.000 0.312 158 V C -1.770 174.144 176.094 -0.300 0.000 1.135 158 V CA -3.002 59.102 62.300 -0.327 0.000 1.022 158 V CB 3.381 35.045 31.823 -0.266 0.000 1.056 158 V HN 0.453 8.326 8.190 -0.529 0.000 0.436 159 K N 0.913 121.190 120.400 -0.206 0.000 2.451 159 K HA -0.020 nan 4.320 nan 0.000 0.280 159 K C -0.271 176.270 176.600 -0.097 0.000 1.020 159 K CA 0.561 56.761 56.287 -0.145 0.000 1.008 159 K CB 0.759 33.206 32.500 -0.089 0.000 0.917 159 K HN 0.267 8.410 8.250 -0.179 0.000 0.478 160 L N 6.018 127.201 121.223 -0.066 0.000 2.601 160 L HA -0.313 nan 4.340 nan 0.000 0.277 160 L C -0.082 176.790 176.870 0.003 0.000 1.219 160 L CA 1.933 56.765 54.840 -0.013 0.000 0.915 160 L CB -0.065 41.977 42.059 -0.029 0.000 1.160 160 L HN 0.027 8.213 8.230 -0.074 0.000 0.494 161 G N 5.173 113.991 108.800 0.028 0.000 2.278 161 G HA2 -0.229 nan 3.960 nan 0.000 0.210 161 G HA3 -0.229 nan 3.960 nan 0.000 0.210 161 G C -0.512 174.391 174.900 0.006 0.000 1.000 161 G CA -0.251 44.861 45.100 0.019 0.000 0.635 161 G HN 0.547 8.879 8.290 0.070 0.000 0.495 162 K N 1.244 121.633 120.400 -0.017 0.000 2.098 162 K HA 0.337 nan 4.320 nan 0.000 0.261 162 K C -0.492 176.079 176.600 -0.048 0.000 0.987 162 K CA -1.552 54.705 56.287 -0.050 0.000 0.916 162 K CB 0.880 33.328 32.500 -0.087 0.000 1.039 162 K HN -0.284 7.882 8.250 -0.022 0.071 0.455 163 I N 1.833 122.363 120.570 -0.066 0.000 2.471 163 I HA 0.080 nan 4.170 nan 0.000 0.286 163 I C -1.205 174.833 176.117 -0.132 0.000 1.079 163 I CA -4.358 56.903 61.300 -0.065 0.000 1.398 163 I CB -1.086 36.875 38.000 -0.065 0.000 1.403 163 I HN 0.348 8.507 8.210 -0.084 0.000 0.530 164 P HA 0.161 nan 4.420 nan 0.000 0.260 164 P C -1.329 175.855 177.300 -0.194 0.000 1.651 164 P CA -0.789 62.169 63.100 -0.236 0.000 1.139 164 P CB -1.542 29.958 31.700 -0.334 0.000 1.756 165 T N -1.299 113.158 114.554 -0.161 0.000 2.910 165 T HA 0.512 nan 4.350 nan 0.000 0.279 165 T C 1.298 175.938 174.700 -0.099 0.000 0.989 165 T CA -2.396 59.630 62.100 -0.124 0.000 0.968 165 T CB 2.736 71.536 68.868 -0.113 0.000 1.135 165 T HN -0.448 7.697 8.240 -0.159 0.000 0.562 166 V N 0.446 120.330 119.914 -0.049 0.000 2.282 166 V HA -0.409 nan 4.120 nan 0.000 0.249 166 V C 1.686 177.782 176.094 0.003 0.000 1.057 166 V CA 3.916 66.221 62.300 0.008 0.000 1.032 166 V CB -0.632 31.198 31.823 0.011 0.000 0.645 166 V HN 0.400 8.561 8.190 -0.049 0.000 0.447 167 E N -2.620 117.558 120.200 -0.036 0.000 2.230 167 E HA -0.131 nan 4.350 nan 0.000 0.192 167 E C 1.120 177.681 176.600 -0.065 0.000 0.987 167 E CA 1.670 58.044 56.400 -0.044 0.000 0.841 167 E CB -0.136 29.532 29.700 -0.052 0.000 0.783 167 E HN -0.051 8.280 8.360 -0.048 0.000 0.481 168 N N -0.948 117.696 118.700 -0.094 0.000 2.354 168 N HA -0.087 nan 4.740 nan 0.000 0.179 168 N C 0.173 175.594 175.510 -0.149 0.000 1.021 168 N CA 1.518 54.497 53.050 -0.119 0.000 0.887 168 N CB 0.787 39.193 38.487 -0.135 0.000 0.974 168 N HN -0.561 7.761 8.380 -0.097 0.000 0.437 169 S N -2.001 113.599 115.700 -0.166 0.000 2.603 169 S HA 0.085 nan 4.470 nan 0.000 0.268 169 S C -1.012 173.464 174.600 -0.207 0.000 1.317 169 S CA 1.163 59.208 58.200 -0.258 0.000 1.012 169 S CB 1.184 64.152 63.200 -0.386 0.000 0.926 169 S HN -0.567 7.633 8.310 -0.135 0.029 0.539 170 I N 2.296 122.667 120.570 -0.331 0.000 2.404 170 I HA 0.132 nan 4.170 nan 0.000 0.293 170 I C -1.298 174.540 176.117 -0.465 0.000 0.992 170 I CA -0.839 60.260 61.300 -0.335 0.000 1.149 170 I CB 2.532 40.223 38.000 -0.515 0.000 1.315 170 I HN 0.304 8.268 8.210 -0.411 0.000 0.446 171 F N 6.805 126.519 119.950 -0.393 0.000 2.361 171 F HA 0.240 nan 4.527 nan 0.000 0.364 171 F C -0.763 174.881 175.800 -0.260 0.000 1.120 171 F CA -0.564 57.281 58.000 -0.258 0.000 1.102 171 F CB 0.249 39.148 39.000 -0.169 0.000 1.183 171 F HN 0.194 8.563 8.300 0.115 0.000 0.476 172 H N 2.291 121.375 119.070 0.024 0.000 2.384 172 H HA 0.056 nan 4.556 nan 0.000 0.300 172 H C -0.507 174.859 175.328 0.065 0.000 1.057 172 H CA 2.546 58.531 56.048 -0.105 0.000 1.370 172 H CB 2.298 31.855 29.762 -0.342 0.000 1.417 172 H HN 0.787 9.062 8.280 -0.008 0.000 0.527 173 M N -6.969 112.790 119.600 0.266 0.000 2.822 173 M HA 0.189 nan 4.480 nan 0.000 0.275 173 M C -3.035 173.220 176.300 -0.075 0.000 1.084 173 M CA -0.522 54.906 55.300 0.212 0.000 0.814 173 M CB 2.674 35.414 32.600 0.232 0.000 1.693 173 M HN -0.742 7.712 8.290 0.273 0.000 0.531 174 A N -0.674 121.951 122.820 -0.324 0.000 2.492 174 A HA 0.410 nan 4.320 nan 0.000 0.254 174 A C -1.594 175.785 177.584 -0.342 0.000 1.091 174 A CA 0.282 51.893 52.037 -0.709 0.000 0.768 174 A CB -0.332 18.438 19.000 -0.384 0.000 1.028 174 A HN 0.458 8.548 8.150 -0.100 0.000 0.498 175 A N 4.268 126.920 122.820 -0.281 0.000 2.582 175 A HA 0.515 nan 4.320 nan 0.000 0.297 175 A C -1.922 175.603 177.584 -0.099 0.000 1.059 175 A CA 0.359 52.245 52.037 -0.251 0.000 0.705 175 A CB 2.454 21.367 19.000 -0.144 0.000 1.279 175 A HN 0.257 8.127 8.150 -0.269 0.118 0.404 176 W N -2.362 118.943 121.300 0.009 0.000 2.846 176 W HA 0.371 nan 4.660 nan 0.000 0.391 176 W C -1.611 174.933 176.519 0.041 0.000 1.011 176 W CA -1.963 55.392 57.345 0.018 0.000 1.832 176 W CB 1.230 30.703 29.460 0.022 0.000 1.151 176 W HN 0.769 8.462 8.180 -0.813 0.000 0.582 177 S N -0.461 115.338 115.700 0.166 0.000 2.533 177 S HA 0.374 nan 4.470 nan 0.000 0.271 177 S C -2.041 172.579 174.600 0.033 0.000 1.143 177 S CA 0.134 58.435 58.200 0.169 0.000 0.891 177 S CB 2.033 65.359 63.200 0.210 0.000 1.105 177 S HN -0.819 7.429 8.310 -0.103 0.000 0.468 178 G N 2.245 111.081 108.800 0.060 0.000 2.708 178 G HA2 0.681 nan 3.960 nan 0.000 0.289 178 G HA3 0.681 nan 3.960 nan 0.000 0.289 178 G C -3.271 171.561 174.900 -0.113 0.000 1.416 178 G CA -0.729 44.393 45.100 0.036 0.000 0.829 178 G HN 0.428 9.124 8.290 0.087 -0.353 0.480 179 S N -2.182 113.452 115.700 -0.110 0.000 2.611 179 S HA 0.480 nan 4.470 nan 0.000 0.268 179 S C -2.560 171.976 174.600 -0.107 0.000 1.156 179 S CA -0.992 57.006 58.200 -0.337 0.000 0.817 179 S CB 1.873 64.902 63.200 -0.286 0.000 1.122 179 S HN 0.323 8.630 8.310 -0.005 0.000 0.466 180 A N -0.815 121.933 122.820 -0.119 0.000 2.597 180 A HA 0.847 nan 4.320 nan 0.000 0.292 180 A C -2.331 175.301 177.584 0.080 0.000 1.057 180 A CA -0.208 51.769 52.037 -0.100 0.000 0.674 180 A CB 2.859 21.527 19.000 -0.553 0.000 1.278 180 A HN -0.079 7.962 8.150 -0.182 0.000 0.416 181 c N -3.621 115.073 118.600 0.157 0.000 3.303 181 c HA 0.561 nan 4.570 nan 0.000 0.340 181 c C -2.154 171.935 174.090 -0.002 0.000 1.274 181 c CA -1.303 55.127 56.329 0.168 0.000 1.234 181 c CB 3.316 45.879 42.510 0.089 0.000 1.532 181 c HN 0.550 8.839 8.230 0.099 0.000 0.483 182 H N 2.137 121.000 119.070 -0.344 0.000 2.469 182 H HA 0.475 nan 4.556 nan 0.000 0.342 182 H C -0.921 174.262 175.328 -0.241 0.000 1.115 182 H CA -0.100 55.575 56.048 -0.621 0.000 1.204 182 H CB 3.099 32.158 29.762 -1.172 0.000 1.492 182 H HN 0.524 8.774 8.280 -0.050 0.000 0.499 183 D N 2.394 122.571 120.400 -0.371 0.000 2.369 183 D HA 0.057 nan 4.640 nan 0.000 0.211 183 D C 0.619 176.981 176.300 0.103 0.000 1.077 183 D CA -1.141 52.842 54.000 -0.029 0.000 0.842 183 D CB 0.982 41.854 40.800 0.121 0.000 0.947 183 D HN -0.144 7.858 8.370 -0.614 0.000 0.509 184 G N -0.484 108.288 108.800 -0.047 0.000 2.307 184 G HA2 -0.376 nan 3.960 nan 0.000 0.210 184 G HA3 -0.376 nan 3.960 nan 0.000 0.210 184 G C -0.404 174.473 174.900 -0.039 0.000 1.005 184 G CA 0.768 45.919 45.100 0.086 0.000 0.634 184 G HN -0.265 7.696 8.290 -0.444 0.063 0.496 185 R N -0.760 119.590 120.500 -0.250 0.000 2.225 185 R HA 0.132 nan 4.340 nan 0.000 0.194 185 R C -0.926 175.178 176.300 -0.327 0.000 0.949 185 R CA 0.690 56.636 56.100 -0.256 0.000 1.088 185 R CB 2.407 32.504 30.300 -0.339 0.000 1.106 185 R HN 0.182 8.583 8.270 -0.214 -0.261 0.566 186 E N -1.310 118.533 120.200 -0.595 0.000 2.412 186 E HA 0.187 nan 4.350 nan 0.000 0.279 186 E C -2.591 173.533 176.600 -0.793 0.000 0.984 186 E CA -1.288 54.734 56.400 -0.629 0.000 0.788 186 E CB 3.023 32.230 29.700 -0.823 0.000 1.277 186 E HN -0.103 8.317 8.360 -0.530 -0.378 0.455 187 W N 0.341 121.385 121.300 -0.427 0.000 2.266 187 W HA 0.226 nan 4.660 nan 0.000 0.317 187 W C -0.261 175.901 176.519 -0.594 0.000 1.310 187 W CA -0.050 57.026 57.345 -0.447 0.000 1.207 187 W CB 0.898 30.042 29.460 -0.527 0.000 1.199 187 W HN 0.152 8.270 8.180 -0.104 0.000 0.544 188 T N 6.186 120.631 114.554 -0.182 0.000 2.767 188 T HA 0.660 nan 4.350 nan 0.000 0.284 188 T C -1.412 173.135 174.700 -0.255 0.000 0.973 188 T CA -0.105 61.946 62.100 -0.081 0.000 0.996 188 T CB 0.797 69.702 68.868 0.062 0.000 0.927 188 T HN 0.883 9.061 8.240 -0.103 0.000 0.456 189 Y N 4.872 125.212 120.300 0.066 0.000 2.393 189 Y HA 0.780 nan 4.550 nan 0.000 0.341 189 Y C -1.390 174.493 175.900 -0.028 0.000 0.988 189 Y CA -2.188 55.890 58.100 -0.038 0.000 1.078 189 Y CB 2.730 41.129 38.460 -0.102 0.000 1.203 189 Y HN 0.803 9.146 8.280 0.106 0.000 0.453 190 I N 1.404 122.030 120.570 0.094 0.000 2.498 190 I HA 0.650 nan 4.170 nan 0.000 0.290 190 I C -1.201 174.923 176.117 0.011 0.000 1.032 190 I CA -1.494 59.823 61.300 0.028 0.000 1.073 190 I CB 2.510 40.490 38.000 -0.034 0.000 1.251 190 I HN 0.668 8.925 8.210 0.079 0.000 0.426 191 G N 4.434 113.222 108.800 -0.019 0.000 2.667 191 G HA2 0.621 nan 3.960 nan 0.000 0.298 191 G HA3 0.621 nan 3.960 nan 0.000 0.298 191 G C -2.990 171.796 174.900 -0.190 0.000 1.377 191 G CA -0.725 44.326 45.100 -0.081 0.000 0.964 191 G HN 0.382 8.666 8.290 -0.010 0.000 0.493 192 V N 1.743 121.442 119.914 -0.359 0.000 2.448 192 V HA 0.788 nan 4.120 nan 0.000 0.295 192 V C -1.687 173.734 176.094 -1.121 0.000 1.025 192 V CA -1.999 59.944 62.300 -0.595 0.000 0.859 192 V CB 1.100 32.541 31.823 -0.637 0.000 0.988 192 V HN 0.398 8.383 8.190 -0.341 0.000 0.431 193 D N 4.253 124.140 120.400 -0.855 0.000 2.798 193 D HA 0.337 nan 4.640 nan 0.000 0.308 193 D C -1.543 174.614 176.300 -0.238 0.000 1.187 193 D CA -2.327 51.119 54.000 -0.924 0.000 1.033 193 D CB 3.536 44.044 40.800 -0.486 0.000 1.445 193 D HN 0.026 8.089 8.370 -0.512 0.000 0.550 194 G N -4.848 104.026 108.800 0.123 0.000 2.555 194 G HA2 -0.209 nan 3.960 nan 0.000 0.686 194 G HA3 -0.209 nan 3.960 nan 0.000 0.686 194 G C -2.751 172.363 174.900 0.357 0.000 1.275 194 G CA -1.032 44.185 45.100 0.195 0.000 0.871 194 G HN -0.026 8.385 8.290 0.201 0.000 0.603 195 P HA 0.107 nan 4.420 nan 0.000 0.268 195 P C -0.280 177.126 177.300 0.176 0.000 1.208 195 P CA -0.728 62.469 63.100 0.162 0.000 0.777 195 P CB 0.646 32.404 31.700 0.097 0.000 0.875 196 D N 2.413 122.857 120.400 0.074 0.000 2.182 196 D HA -0.251 nan 4.640 nan 0.000 0.201 196 D C 1.925 178.256 176.300 0.051 0.000 0.986 196 D CA 3.754 57.768 54.000 0.024 0.000 0.847 196 D CB -0.655 40.107 40.800 -0.063 0.000 0.942 196 D HN 0.447 8.837 8.370 0.032 0.000 0.467 197 S N -4.607 111.120 115.700 0.045 0.000 2.562 197 S HA -0.051 nan 4.470 nan 0.000 0.221 197 S C -0.011 174.620 174.600 0.051 0.000 0.975 197 S CA 1.839 60.060 58.200 0.035 0.000 0.918 197 S CB -0.050 63.164 63.200 0.024 0.000 0.772 197 S HN -0.148 8.177 8.310 0.041 0.010 0.531 198 N N 0.696 119.447 118.700 0.084 0.000 2.635 198 N HA 0.104 nan 4.740 nan 0.000 0.252 198 N C -1.908 173.678 175.510 0.126 0.000 1.589 198 N CA 0.239 53.344 53.050 0.092 0.000 0.828 198 N CB 1.697 40.230 38.487 0.077 0.000 1.403 198 N HN -0.452 7.806 8.380 0.109 0.187 0.518 199 A N -1.098 121.815 122.820 0.155 0.000 2.280 199 A HA 0.468 nan 4.320 nan 0.000 0.268 199 A C -2.131 175.491 177.584 0.062 0.000 1.111 199 A CA -0.467 51.667 52.037 0.161 0.000 0.814 199 A CB 2.082 21.271 19.000 0.314 0.000 1.093 199 A HN -0.059 8.180 8.150 0.149 0.000 0.498 200 L N -2.490 118.711 121.223 -0.036 0.000 2.470 200 L HA 0.564 nan 4.340 nan 0.000 0.268 200 L C -2.042 174.756 176.870 -0.121 0.000 0.964 200 L CA -0.453 54.335 54.840 -0.086 0.000 0.839 200 L CB 4.287 46.281 42.059 -0.108 0.000 1.276 200 L HN -0.138 8.030 8.230 -0.103 0.000 0.403 201 I N 5.993 126.532 120.570 -0.051 0.000 2.533 201 I HA 0.074 nan 4.170 nan 0.000 0.284 201 I C -1.005 175.086 176.117 -0.043 0.000 1.109 201 I CA -0.280 60.996 61.300 -0.040 0.000 1.412 201 I CB -0.870 37.155 38.000 0.042 0.000 1.396 201 I HN 0.813 9.025 8.210 0.002 0.000 0.543 202 K N 7.389 127.766 120.400 -0.037 0.000 2.292 202 K HA 0.711 nan 4.320 nan 0.000 0.257 202 K C -1.494 175.141 176.600 0.059 0.000 0.940 202 K CA -1.255 55.046 56.287 0.023 0.000 0.811 202 K CB 2.604 35.131 32.500 0.046 0.000 1.120 202 K HN 0.672 8.886 8.250 -0.060 0.000 0.428 203 I N 4.059 124.679 120.570 0.083 0.000 2.441 203 I HA 0.603 nan 4.170 nan 0.000 0.295 203 I C -1.946 174.241 176.117 0.116 0.000 0.994 203 I CA -1.224 60.125 61.300 0.081 0.000 1.144 203 I CB 2.860 40.884 38.000 0.039 0.000 1.314 203 I HN 0.717 8.981 8.210 0.091 0.000 0.445 204 K N 5.430 125.901 120.400 0.119 0.000 2.378 204 K HA 0.672 nan 4.320 nan 0.000 0.252 204 K C -2.328 174.400 176.600 0.212 0.000 0.931 204 K CA -1.649 54.682 56.287 0.073 0.000 0.794 204 K CB 4.353 36.820 32.500 -0.054 0.000 1.181 204 K HN 0.553 8.888 8.250 0.141 0.000 0.425 205 Y N 6.749 127.068 120.300 0.032 0.000 2.376 205 Y HA 0.282 nan 4.550 nan 0.000 0.326 205 Y C -0.504 175.448 175.900 0.086 0.000 0.970 205 Y CA -1.417 56.705 58.100 0.036 0.000 1.248 205 Y CB 1.673 40.142 38.460 0.014 0.000 1.117 205 Y HN 0.678 9.068 8.280 0.184 0.000 0.476 206 G N 9.825 118.582 108.800 -0.072 0.000 2.596 206 G HA2 -0.544 nan 3.960 nan 0.000 0.304 206 G HA3 -0.544 nan 3.960 nan 0.000 0.304 206 G C -0.847 174.152 174.900 0.165 0.000 1.189 206 G CA 1.569 46.715 45.100 0.076 0.000 0.986 206 G HN 0.561 8.760 8.290 -0.152 0.000 0.548 207 E N 2.824 123.065 120.200 0.069 0.000 2.318 207 E HA -0.008 nan 4.350 nan 0.000 0.193 207 E C -0.452 176.113 176.600 -0.058 0.000 0.998 207 E CA 0.461 56.872 56.400 0.019 0.000 0.859 207 E CB 0.433 30.158 29.700 0.043 0.000 0.812 207 E HN 0.243 8.634 8.360 0.052 0.000 0.492 208 A N 0.083 122.900 122.820 -0.005 0.000 2.309 208 A HA 0.229 nan 4.320 nan 0.000 0.298 208 A C -1.488 176.056 177.584 -0.066 0.000 1.165 208 A CA -0.476 51.576 52.037 0.024 0.000 0.821 208 A CB 1.158 20.223 19.000 0.109 0.000 1.102 208 A HN -0.513 7.622 8.150 0.042 0.040 0.500 209 Y N 2.437 122.805 120.300 0.114 0.000 2.393 209 Y HA -0.064 nan 4.550 nan 0.000 0.338 209 Y C 0.243 176.195 175.900 0.086 0.000 1.029 209 Y CA 0.984 59.143 58.100 0.099 0.000 1.239 209 Y CB 0.164 38.665 38.460 0.069 0.000 1.170 209 Y HN 0.408 8.879 8.280 0.318 0.000 0.515 210 T N 0.268 114.927 114.554 0.174 0.000 2.964 210 T HA 0.201 nan 4.350 nan 0.000 0.249 210 T C -1.080 173.670 174.700 0.083 0.000 1.000 210 T CA -0.568 61.600 62.100 0.114 0.000 0.992 210 T CB 2.129 71.047 68.868 0.083 0.000 1.087 210 T HN 0.628 8.963 8.240 0.159 0.000 0.489 211 D N -0.225 120.226 120.400 0.085 0.000 2.694 211 D HA 0.221 nan 4.640 nan 0.000 0.260 211 D C -2.533 173.796 176.300 0.049 0.000 1.250 211 D CA -0.106 53.928 54.000 0.057 0.000 0.763 211 D CB 3.120 43.940 40.800 0.033 0.000 1.311 211 D HN -0.755 7.680 8.370 0.109 0.000 0.420 212 T N -3.546 111.023 114.554 0.025 0.000 2.865 212 T HA 0.679 nan 4.350 nan 0.000 0.294 212 T C -2.119 172.591 174.700 0.016 0.000 1.119 212 T CA -1.870 60.215 62.100 -0.025 0.000 1.007 212 T CB 2.891 71.673 68.868 -0.143 0.000 1.225 212 T HN -0.093 8.168 8.240 0.036 0.000 0.515 213 Y N 0.406 120.597 120.300 -0.182 0.000 2.470 213 Y HA 0.340 nan 4.550 nan 0.000 0.341 213 Y C -1.806 174.003 175.900 -0.152 0.000 1.021 213 Y CA -0.711 57.327 58.100 -0.103 0.000 1.025 213 Y CB 3.846 42.290 38.460 -0.027 0.000 1.266 213 Y HN 0.205 8.465 8.280 -0.032 0.000 0.448 214 H N 4.321 123.197 119.070 -0.322 0.000 2.488 214 H HA 0.345 nan 4.556 nan 0.000 0.347 214 H C -0.782 174.520 175.328 -0.044 0.000 1.174 214 H CA -0.449 55.511 56.048 -0.147 0.000 1.307 214 H CB 2.122 31.787 29.762 -0.162 0.000 1.517 214 H HN -0.074 7.829 8.280 -0.629 0.000 0.554 215 S N -0.279 115.513 115.700 0.154 0.000 2.525 215 S HA -0.128 nan 4.470 nan 0.000 0.285 215 S C 0.288 174.953 174.600 0.108 0.000 1.283 215 S CA 0.827 59.079 58.200 0.087 0.000 1.072 215 S CB 0.457 63.684 63.200 0.046 0.000 0.867 215 S HN -0.018 8.392 8.310 0.167 0.000 0.492 216 Y N 2.777 123.134 120.300 0.096 0.000 2.458 216 Y HA 0.268 nan 4.550 nan 0.000 0.254 216 Y C -0.958 174.985 175.900 0.072 0.000 1.120 216 Y CA -1.184 56.966 58.100 0.082 0.000 1.282 216 Y CB 0.057 38.602 38.460 0.142 0.000 1.109 216 Y HN 0.104 8.391 8.280 -0.346 -0.214 0.526 217 A N -2.298 120.396 122.820 -0.211 0.000 2.551 217 A HA 0.191 nan 4.320 nan 0.000 0.252 217 A C -0.974 176.562 177.584 -0.080 0.000 1.199 217 A CA -0.633 51.343 52.037 -0.101 0.000 0.972 217 A CB 1.255 20.149 19.000 -0.178 0.000 1.153 217 A HN -0.188 8.061 8.150 -0.467 -0.380 0.559 218 N N -3.022 115.632 118.700 -0.075 0.000 2.727 218 N HA -0.421 nan 4.740 nan 0.000 0.249 218 N C -1.549 173.944 175.510 -0.028 0.000 1.048 218 N CA 1.084 54.117 53.050 -0.027 0.000 0.714 218 N CB -0.807 37.679 38.487 -0.002 0.000 0.959 218 N HN -0.170 8.251 8.380 -0.101 -0.102 0.544 219 N N -1.532 117.137 118.700 -0.052 0.000 2.751 219 N HA 0.138 nan 4.740 nan 0.000 0.238 219 N C -1.304 174.186 175.510 -0.033 0.000 1.351 219 N CA -0.193 52.835 53.050 -0.036 0.000 0.751 219 N CB 1.039 39.503 38.487 -0.038 0.000 1.342 219 N HN -0.167 8.521 8.380 -0.095 -0.364 0.540 220 I N 0.787 121.363 120.570 0.009 0.000 7.369 220 I HA -0.581 nan 4.170 nan 0.000 0.126 220 I C -1.322 174.863 176.117 0.113 0.000 1.710 220 I CA 0.992 62.332 61.300 0.067 0.000 2.273 220 I CB -2.007 35.972 38.000 -0.035 0.000 3.400 220 I HN 0.881 9.002 8.210 0.015 0.098 0.235 221 L N 5.386 126.690 121.223 0.136 0.000 2.525 221 L HA -0.093 nan 4.340 nan 0.000 0.278 221 L C -1.455 175.529 176.870 0.191 0.000 1.218 221 L CA 1.460 56.351 54.840 0.085 0.000 0.878 221 L CB 0.264 42.371 42.059 0.080 0.000 1.127 221 L HN 0.180 8.499 8.230 0.149 0.000 0.492 222 R N 1.779 122.349 120.500 0.116 0.000 2.747 222 R HA 0.519 nan 4.340 nan 0.000 0.272 222 R C -2.323 174.003 176.300 0.044 0.000 1.032 222 R CA -1.368 54.820 56.100 0.147 0.000 0.896 222 R CB 2.714 33.138 30.300 0.207 0.000 1.253 222 R HN 0.349 8.655 8.270 0.059 0.000 0.461 223 T N -2.651 111.918 114.554 0.025 0.000 2.565 223 T HA 0.529 nan 4.350 nan 0.000 0.266 223 T C 0.132 174.803 174.700 -0.049 0.000 0.905 223 T CA -1.530 60.541 62.100 -0.049 0.000 1.122 223 T CB 2.002 70.820 68.868 -0.085 0.000 1.437 223 T HN 0.247 8.529 8.240 0.070 0.000 0.506 224 Q N 0.465 120.198 119.800 -0.111 0.000 2.119 224 Q HA -0.231 nan 4.340 nan 0.000 0.201 224 Q C 0.793 176.730 176.000 -0.106 0.000 0.972 224 Q CA 2.896 58.628 55.803 -0.119 0.000 0.847 224 Q CB 0.545 29.181 28.738 -0.171 0.000 0.903 224 Q HN 0.440 8.624 8.270 -0.144 0.000 0.433 225 E N -5.611 114.485 120.200 -0.173 0.000 2.868 225 E HA -0.336 nan 4.350 nan 0.000 0.278 225 E C -1.378 174.960 176.600 -0.437 0.000 1.009 225 E CA 1.033 57.343 56.400 -0.151 0.000 0.856 225 E CB -2.577 27.243 29.700 0.200 0.000 1.428 225 E HN -0.078 8.170 8.360 -0.187 0.000 0.423 226 S N -5.728 109.486 115.700 -0.810 0.000 2.643 226 S HA 0.237 nan 4.470 nan 0.000 0.270 226 S C -1.949 172.201 174.600 -0.752 0.000 1.166 226 S CA -1.775 55.944 58.200 -0.801 0.000 0.815 226 S CB 3.215 66.343 63.200 -0.119 0.000 1.139 226 S HN -0.863 6.987 8.310 -0.718 0.029 0.472 227 A N -0.706 121.959 122.820 -0.258 0.000 2.540 227 A HA 0.108 nan 4.320 nan 0.000 0.239 227 A C -0.156 177.403 177.584 -0.042 0.000 1.061 227 A CA 0.223 52.235 52.037 -0.042 0.000 0.758 227 A CB 0.113 19.240 19.000 0.212 0.000 0.991 227 A HN 0.373 8.515 8.150 -0.014 0.000 0.502 228 c N 0.280 118.859 118.600 -0.036 0.000 2.560 228 c HA 0.349 nan 4.570 nan 0.000 0.334 228 c C -0.314 173.812 174.090 0.060 0.000 1.404 228 c CA -2.505 53.823 56.329 -0.001 0.000 2.410 228 c CB 0.345 42.844 42.510 -0.019 0.000 2.268 228 c HN -0.212 7.995 8.230 -0.037 0.000 0.673 229 N N -0.829 117.919 118.700 0.080 0.000 2.371 229 N HA 0.320 nan 4.740 nan 0.000 0.291 229 N C -1.807 173.858 175.510 0.259 0.000 1.053 229 N CA 0.100 53.232 53.050 0.137 0.000 0.870 229 N CB 4.183 42.590 38.487 -0.133 0.000 1.503 229 N HN -0.195 8.236 8.380 0.086 0.000 0.485 230 c N 1.898 120.676 118.600 0.296 0.000 2.456 230 c HA 0.829 nan 4.570 nan 0.000 0.325 230 c C -1.194 172.952 174.090 0.094 0.000 1.217 230 c CA -1.598 54.830 56.329 0.164 0.000 1.687 230 c CB 1.928 44.448 42.510 0.018 0.000 2.270 230 c HN 0.596 9.004 8.230 0.296 0.000 0.499 231 I N 2.868 123.404 120.570 -0.057 0.000 2.548 231 I HA 0.187 nan 4.170 nan 0.000 0.287 231 I C -0.619 175.178 176.117 -0.534 0.000 1.103 231 I CA -0.942 60.131 61.300 -0.378 0.000 1.049 231 I CB 3.351 41.207 38.000 -0.241 0.000 1.232 231 I HN 0.684 8.887 8.210 -0.011 0.000 0.429 232 G N 8.947 117.152 108.800 -0.993 0.000 2.258 232 G HA2 -0.466 nan 3.960 nan 0.000 0.274 232 G HA3 -0.466 nan 3.960 nan 0.000 0.274 232 G C -0.251 173.993 174.900 -1.094 0.000 1.021 232 G CA 1.279 45.910 45.100 -0.782 0.000 0.798 232 G HN 0.808 8.260 8.290 -1.398 0.000 0.507 233 G N -2.749 105.349 108.800 -1.170 0.000 2.213 233 G HA2 -0.489 nan 3.960 nan 0.000 0.236 233 G HA3 -0.489 nan 3.960 nan 0.000 0.236 233 G C -0.986 173.422 174.900 -0.820 0.000 0.991 233 G CA -0.246 43.832 45.100 -1.705 0.000 0.629 233 G HN 0.217 8.056 8.290 -0.696 0.034 0.517 234 D N 2.390 122.472 120.400 -0.530 0.000 2.280 234 D HA 0.343 nan 4.640 nan 0.000 0.236 234 D C -1.107 175.013 176.300 -0.300 0.000 1.082 234 D CA -0.647 53.112 54.000 -0.402 0.000 0.834 234 D CB 0.899 41.503 40.800 -0.327 0.000 1.100 234 D HN -0.259 7.654 8.370 -0.492 0.161 0.486 235 c N 3.704 122.098 118.600 -0.343 0.000 2.341 235 c HA 0.759 nan 4.570 nan 0.000 0.338 235 c C -1.049 172.835 174.090 -0.344 0.000 1.257 235 c CA -0.870 55.345 56.329 -0.189 0.000 1.883 235 c CB 1.156 43.592 42.510 -0.124 0.000 2.334 235 c HN 0.917 8.917 8.230 -0.383 0.000 0.524 236 Y N 1.693 121.974 120.300 -0.032 0.000 2.409 236 Y HA 0.720 nan 4.550 nan 0.000 0.339 236 Y C -1.823 174.091 175.900 0.023 0.000 1.033 236 Y CA -1.347 56.753 58.100 -0.000 0.000 1.094 236 Y CB 2.747 41.201 38.460 -0.010 0.000 1.210 236 Y HN 0.873 9.293 8.280 0.232 0.000 0.456 237 L N 1.882 123.197 121.223 0.154 0.000 2.436 237 L HA 0.624 nan 4.340 nan 0.000 0.268 237 L C -2.405 174.342 176.870 -0.204 0.000 0.974 237 L CA -1.101 53.737 54.840 -0.003 0.000 0.826 237 L CB 4.716 46.715 42.059 -0.099 0.000 1.291 237 L HN 0.472 8.793 8.230 0.152 0.000 0.406 238 M N 6.469 125.812 119.600 -0.427 0.000 2.211 238 M HA 0.606 nan 4.480 nan 0.000 0.356 238 M C -1.701 174.318 176.300 -0.469 0.000 1.216 238 M CA 0.131 54.870 55.300 -0.935 0.000 1.134 238 M CB 1.213 33.339 32.600 -0.791 0.000 1.564 238 M HN 0.565 9.102 8.290 -0.221 -0.379 0.463 239 I N -2.023 118.297 120.570 -0.416 0.000 2.892 239 I HA 0.950 nan 4.170 nan 0.000 0.306 239 I C -2.378 173.696 176.117 -0.071 0.000 1.078 239 I CA -2.251 58.943 61.300 -0.177 0.000 1.032 239 I CB 3.654 41.591 38.000 -0.105 0.000 1.229 239 I HN 0.724 8.607 8.210 -0.546 0.000 0.435 240 T N 2.159 116.722 114.554 0.016 0.000 2.816 240 T HA 0.520 nan 4.350 nan 0.000 0.299 240 T C -2.908 171.772 174.700 -0.033 0.000 1.230 240 T CA -0.985 61.150 62.100 0.058 0.000 1.007 240 T CB 2.945 71.794 68.868 -0.032 0.000 1.289 240 T HN 0.536 8.780 8.240 0.007 0.000 0.508 241 D N 0.619 120.934 120.400 -0.142 0.000 2.769 241 D HA 0.498 nan 4.640 nan 0.000 0.219 241 D C -2.217 173.949 176.300 -0.222 0.000 1.245 241 D CA -0.612 53.195 54.000 -0.322 0.000 0.801 241 D CB 3.302 43.556 40.800 -0.910 0.000 1.598 241 D HN 0.014 8.359 8.370 -0.042 0.000 0.485 242 G N 1.759 110.469 108.800 -0.149 0.000 2.359 242 G HA2 -0.174 nan 3.960 nan 0.000 0.303 242 G HA3 -0.174 nan 3.960 nan 0.000 0.303 242 G C -2.210 172.656 174.900 -0.056 0.000 1.293 242 G CA -0.135 44.913 45.100 -0.086 0.000 0.964 242 G HN 0.160 8.269 8.290 -0.133 0.101 0.531 243 S N -0.341 115.349 115.700 -0.016 0.000 2.533 243 S HA 0.081 nan 4.470 nan 0.000 0.282 243 S C 1.726 176.354 174.600 0.047 0.000 1.304 243 S CA -1.456 56.750 58.200 0.009 0.000 1.063 243 S CB 0.682 63.897 63.200 0.025 0.000 0.881 243 S HN -0.197 8.113 8.310 -0.000 0.000 0.493 244 A N 7.734 130.582 122.820 0.046 0.000 2.024 244 A HA -0.119 nan 4.320 nan 0.000 0.220 244 A C 0.133 177.751 177.584 0.056 0.000 1.164 244 A CA 2.542 54.636 52.037 0.095 0.000 0.643 244 A CB -0.291 18.730 19.000 0.036 0.000 0.806 244 A HN 0.557 8.717 8.150 0.016 0.000 0.451 245 S N -6.073 109.621 115.700 -0.011 0.000 2.651 245 S HA 0.235 nan 4.470 nan 0.000 0.246 245 S C -0.415 174.110 174.600 -0.125 0.000 1.039 245 S CA -1.555 56.581 58.200 -0.106 0.000 1.013 245 S CB 1.117 64.273 63.200 -0.072 0.000 0.861 245 S HN -0.554 7.734 8.310 0.002 0.023 0.485 246 G N 0.128 108.900 108.800 -0.046 0.000 2.933 246 G HA2 0.275 nan 3.960 nan 0.000 0.203 246 G HA3 0.275 nan 3.960 nan 0.000 0.203 246 G C -2.930 172.091 174.900 0.202 0.000 1.170 246 G CA -0.239 44.891 45.100 0.050 0.000 0.880 246 G HN -0.603 7.537 8.290 0.040 0.174 0.573 247 I N 0.653 121.357 120.570 0.222 0.000 2.396 247 I HA -0.003 nan 4.170 nan 0.000 0.289 247 I C -1.330 174.828 176.117 0.068 0.000 1.056 247 I CA 1.072 62.504 61.300 0.220 0.000 1.365 247 I CB 0.353 38.455 38.000 0.171 0.000 1.407 247 I HN 0.064 8.375 8.210 0.168 0.000 0.509 248 S N 8.490 124.158 115.700 -0.053 0.000 2.395 248 S HA 0.305 nan 4.470 nan 0.000 0.207 248 S C -1.865 172.696 174.600 -0.064 0.000 1.454 248 S CA -0.894 57.197 58.200 -0.182 0.000 1.211 248 S CB 0.624 63.499 63.200 -0.542 0.000 1.093 248 S HN 0.490 8.814 8.310 0.024 0.000 0.472 249 K N 5.513 125.967 120.400 0.091 0.000 2.310 249 K HA 0.401 nan 4.320 nan 0.000 0.290 249 K C -0.708 176.015 176.600 0.204 0.000 1.077 249 K CA -0.758 55.620 56.287 0.152 0.000 0.922 249 K CB 0.394 33.010 32.500 0.193 0.000 1.057 249 K HN 0.071 8.395 8.250 0.124 0.000 0.479 250 C N 2.867 122.236 119.300 0.115 0.000 2.639 250 C HA 0.497 nan 4.460 nan 0.000 0.360 250 C C -0.239 174.771 174.990 0.033 0.000 1.351 250 C CA -2.124 56.934 59.018 0.068 0.000 2.408 250 C CB 0.781 28.497 27.740 -0.040 0.000 2.517 250 C HN 0.545 8.829 8.230 0.090 0.000 0.696 251 R N -2.391 118.043 120.500 -0.111 0.000 2.855 251 R HA 0.629 nan 4.340 nan 0.000 0.266 251 R C -1.985 174.114 176.300 -0.336 0.000 1.034 251 R CA -1.647 54.332 56.100 -0.201 0.000 0.944 251 R CB 4.670 34.736 30.300 -0.391 0.000 1.219 251 R HN 0.503 8.680 8.270 -0.154 0.000 0.474 252 F N -1.438 118.364 119.950 -0.247 0.000 2.495 252 F HA 0.736 nan 4.527 nan 0.000 0.327 252 F C -1.261 174.385 175.800 -0.257 0.000 1.103 252 F CA -1.069 56.826 58.000 -0.175 0.000 0.949 252 F CB 3.245 42.202 39.000 -0.071 0.000 1.142 252 F HN 0.124 8.383 8.300 -0.069 0.000 0.457 253 L N 1.433 122.569 121.223 -0.145 0.000 2.309 253 L HA 0.625 nan 4.340 nan 0.000 0.282 253 L C -1.630 175.130 176.870 -0.183 0.000 1.036 253 L CA -1.146 53.554 54.840 -0.234 0.000 0.806 253 L CB 1.770 43.630 42.059 -0.331 0.000 1.220 253 L HN 0.852 8.995 8.230 -0.145 0.000 0.429 254 K N 3.679 123.926 120.400 -0.254 0.000 2.265 254 K HA 0.633 nan 4.320 nan 0.000 0.267 254 K C -1.782 174.607 176.600 -0.351 0.000 0.994 254 K CA -0.908 55.102 56.287 -0.462 0.000 0.860 254 K CB 1.954 34.196 32.500 -0.430 0.000 1.099 254 K HN 0.538 8.657 8.250 -0.219 0.000 0.448 255 I N 6.532 126.880 120.570 -0.369 0.000 2.465 255 I HA 0.621 nan 4.170 nan 0.000 0.291 255 I C -2.412 173.523 176.117 -0.303 0.000 1.014 255 I CA -1.257 59.882 61.300 -0.269 0.000 1.093 255 I CB 3.528 41.404 38.000 -0.207 0.000 1.267 255 I HN 0.911 8.836 8.210 -0.474 0.000 0.431 256 R N 4.713 125.042 120.500 -0.286 0.000 2.538 256 R HA 0.334 nan 4.340 nan 0.000 0.292 256 R C -0.429 175.650 176.300 -0.369 0.000 1.008 256 R CA -0.805 55.098 56.100 -0.328 0.000 0.896 256 R CB 2.773 32.898 30.300 -0.292 0.000 1.187 256 R HN 0.730 8.853 8.270 -0.246 0.000 0.440 257 E N 5.984 125.861 120.200 -0.539 0.000 2.328 257 E HA -0.422 nan 4.350 nan 0.000 0.233 257 E C -0.836 175.185 176.600 -0.966 0.000 1.219 257 E CA 0.958 56.703 56.400 -1.090 0.000 0.717 257 E CB -1.840 27.544 29.700 -0.526 0.000 1.210 257 E HN 1.100 9.191 8.360 -0.447 0.000 0.381 258 G N -6.922 101.504 108.800 -0.624 0.000 2.162 258 G HA2 -0.510 nan 3.960 nan 0.000 0.260 258 G HA3 -0.510 nan 3.960 nan 0.000 0.260 258 G C -1.003 173.813 174.900 -0.139 0.000 0.976 258 G CA 0.246 45.209 45.100 -0.228 0.000 0.655 258 G HN 0.518 8.469 8.290 -0.552 0.008 0.533 259 R N -1.160 119.240 120.500 -0.165 0.000 2.686 259 R HA 0.584 nan 4.340 nan 0.000 0.286 259 R C -1.255 174.980 176.300 -0.107 0.000 0.969 259 R CA -2.014 54.028 56.100 -0.096 0.000 0.898 259 R CB 3.270 33.523 30.300 -0.079 0.000 1.183 259 R HN -0.413 7.572 8.270 -0.229 0.147 0.456 260 I N 4.918 125.448 120.570 -0.067 0.000 2.436 260 I HA -0.099 nan 4.170 nan 0.000 0.289 260 I C 0.413 176.489 176.117 -0.067 0.000 1.083 260 I CA 1.955 63.207 61.300 -0.080 0.000 1.372 260 I CB -0.107 37.877 38.000 -0.026 0.000 1.408 260 I HN 0.339 8.891 8.210 -0.029 -0.359 0.516 261 I N 2.804 123.310 120.570 -0.107 0.000 3.941 261 I HA 0.240 nan 4.170 nan 0.000 0.321 261 I C -0.879 175.197 176.117 -0.068 0.000 1.284 261 I CA -0.091 61.159 61.300 -0.084 0.000 1.226 261 I CB 1.052 38.985 38.000 -0.111 0.000 1.045 261 I HN 0.590 8.709 8.210 -0.152 0.000 0.420 262 K N 0.310 120.656 120.400 -0.090 0.000 2.568 262 K HA 0.222 nan 4.320 nan 0.000 0.273 262 K C -2.340 174.197 176.600 -0.106 0.000 0.951 262 K CA -0.344 55.906 56.287 -0.063 0.000 0.854 262 K CB 3.339 35.808 32.500 -0.051 0.000 1.424 262 K HN -0.627 7.546 8.250 -0.129 0.000 0.427 263 E N 1.894 122.031 120.200 -0.104 0.000 2.171 263 E HA 0.569 nan 4.350 nan 0.000 0.271 263 E C -0.915 175.453 176.600 -0.387 0.000 0.916 263 E CA -0.986 55.235 56.400 -0.297 0.000 0.774 263 E CB 2.199 31.716 29.700 -0.305 0.000 1.128 263 E HN 0.227 8.571 8.360 -0.026 0.000 0.403 264 I N 4.225 124.531 120.570 -0.439 0.000 2.362 264 I HA 0.205 nan 4.170 nan 0.000 0.289 264 I C -1.393 174.473 176.117 -0.418 0.000 0.994 264 I CA -0.823 60.323 61.300 -0.256 0.000 1.158 264 I CB 2.547 40.531 38.000 -0.026 0.000 1.315 264 I HN 0.709 8.672 8.210 -0.411 0.000 0.451 265 F N 6.968 126.949 119.950 0.051 0.000 2.361 265 F HA 0.346 nan 4.527 nan 0.000 0.364 265 F C -1.807 174.028 175.800 0.059 0.000 1.117 265 F CA -3.191 54.832 58.000 0.039 0.000 1.071 265 F CB 0.049 39.053 39.000 0.007 0.000 1.188 265 F HN 0.294 8.702 8.300 0.179 0.000 0.464 266 P HA -0.010 nan 4.420 nan 0.000 0.270 266 P C -1.375 176.004 177.300 0.131 0.000 1.223 266 P CA -0.444 62.748 63.100 0.152 0.000 0.785 266 P CB 0.366 32.173 31.700 0.178 0.000 0.923 267 T N 2.182 116.791 114.554 0.093 0.000 2.940 267 T HA 0.303 nan 4.350 nan 0.000 0.288 267 T C -0.657 174.054 174.700 0.019 0.000 1.045 267 T CA -1.656 60.479 62.100 0.059 0.000 1.018 267 T CB 2.262 71.163 68.868 0.054 0.000 1.151 267 T HN 0.200 8.388 8.240 0.089 0.106 0.529 268 G N 2.517 111.306 108.800 -0.018 0.000 2.715 268 G HA2 -0.255 nan 3.960 nan 0.000 0.221 268 G HA3 -0.255 nan 3.960 nan 0.000 0.221 268 G C -1.908 172.948 174.900 -0.074 0.000 1.204 268 G CA -0.137 44.914 45.100 -0.082 0.000 1.063 268 G HN -0.084 8.202 8.290 -0.007 0.000 0.586 269 R N 4.015 124.453 120.500 -0.103 0.000 2.230 269 R HA 0.260 nan 4.340 nan 0.000 0.337 269 R C -1.184 175.112 176.300 -0.006 0.000 1.063 269 R CA -0.473 55.584 56.100 -0.072 0.000 0.935 269 R CB -0.665 29.567 30.300 -0.113 0.000 1.121 269 R HN 0.277 8.348 8.270 -0.139 0.116 0.486 270 V N 4.817 124.742 119.914 0.019 0.000 3.432 270 V HA 0.205 nan 4.120 nan 0.000 0.298 270 V C 0.240 176.393 176.094 0.098 0.000 1.464 270 V CA 0.134 62.474 62.300 0.065 0.000 1.046 270 V CB 0.828 32.686 31.823 0.058 0.000 0.887 270 V HN 0.248 8.437 8.190 -0.001 0.000 0.441 271 E N -1.236 119.020 120.200 0.094 0.000 2.268 271 E HA -0.186 nan 4.350 nan 0.000 0.195 271 E C -0.676 176.116 176.600 0.320 0.000 0.995 271 E CA 2.004 58.498 56.400 0.157 0.000 0.836 271 E CB 0.115 29.836 29.700 0.035 0.000 0.763 271 E HN 0.216 8.605 8.360 0.049 0.000 0.491 272 H N -2.575 116.616 119.070 0.202 0.000 3.235 272 H HA 0.276 nan 4.556 nan 0.000 0.324 272 H C -2.360 173.033 175.328 0.109 0.000 1.059 272 H CA -0.515 55.633 56.048 0.165 0.000 1.497 272 H CB 2.022 31.881 29.762 0.162 0.000 1.986 272 H HN -0.774 7.675 8.280 0.281 0.000 0.444 273 T N 9.141 123.752 114.554 0.096 0.000 2.937 273 T HA 0.524 nan 4.350 nan 0.000 0.297 273 T C -2.157 172.556 174.700 0.023 0.000 0.991 273 T CA -0.296 61.876 62.100 0.120 0.000 0.990 273 T CB 1.690 70.621 68.868 0.104 0.000 0.991 273 T HN 0.571 8.778 8.240 -0.054 0.000 0.440 274 E N 2.004 122.246 120.200 0.069 0.000 2.449 274 E HA 0.463 nan 4.350 nan 0.000 0.278 274 E C -0.939 175.675 176.600 0.023 0.000 0.992 274 E CA -2.154 54.259 56.400 0.022 0.000 0.807 274 E CB 3.429 33.153 29.700 0.040 0.000 1.350 274 E HN 0.380 8.822 8.360 0.137 0.000 0.462 275 E N -3.661 116.539 120.200 0.001 0.000 2.238 275 E HA -0.486 nan 4.350 nan 0.000 0.219 275 E C -0.640 175.953 176.600 -0.011 0.000 1.275 275 E CA 0.766 57.157 56.400 -0.016 0.000 0.714 275 E CB -1.914 27.757 29.700 -0.048 0.000 1.154 275 E HN 0.482 8.844 8.360 0.003 0.000 0.363 276 c N -1.728 116.867 118.600 -0.007 0.000 2.642 276 c HA -0.093 nan 4.570 nan 0.000 0.420 276 c C 0.521 174.645 174.090 0.058 0.000 1.349 276 c CA 1.018 57.367 56.329 0.035 0.000 1.821 276 c CB -0.135 42.411 42.510 0.059 0.000 2.637 276 c HN -0.530 7.669 8.230 -0.035 0.010 0.605 277 T N 6.908 121.535 114.554 0.120 0.000 2.756 277 T HA 0.271 nan 4.350 nan 0.000 0.290 277 T C -1.393 173.453 174.700 0.243 0.000 0.985 277 T CA 0.363 62.574 62.100 0.184 0.000 0.955 277 T CB 0.570 69.590 68.868 0.254 0.000 0.930 277 T HN 0.421 8.734 8.240 0.122 0.000 0.451 278 c N 5.571 124.267 118.600 0.160 0.000 2.529 278 c HA 0.953 nan 4.570 nan 0.000 0.329 278 c C -0.806 173.304 174.090 0.033 0.000 1.194 278 c CA -2.266 54.135 56.329 0.121 0.000 1.779 278 c CB 3.365 45.917 42.510 0.069 0.000 2.322 278 c HN 0.693 8.993 8.230 0.117 0.000 0.500 279 G N -0.417 108.377 108.800 -0.011 0.000 2.649 279 G HA2 0.525 nan 3.960 nan 0.000 0.290 279 G HA3 0.525 nan 3.960 nan 0.000 0.290 279 G C -2.902 171.855 174.900 -0.237 0.000 1.426 279 G CA -0.309 44.756 45.100 -0.057 0.000 0.794 279 G HN 0.518 8.843 8.290 0.057 0.000 0.483 280 F N -0.396 119.494 119.950 -0.101 0.000 2.421 280 F HA 0.277 nan 4.527 nan 0.000 0.358 280 F C -0.262 175.132 175.800 -0.677 0.000 1.115 280 F CA -0.666 57.172 58.000 -0.271 0.000 1.160 280 F CB 0.445 39.361 39.000 -0.140 0.000 1.123 280 F HN 0.296 8.648 8.300 0.086 0.000 0.508 281 A N 6.298 128.800 122.820 -0.530 0.000 2.021 281 A HA 0.107 nan 4.320 nan 0.000 0.216 281 A C -0.807 176.692 177.584 -0.142 0.000 1.163 281 A CA 1.198 52.926 52.037 -0.515 0.000 0.676 281 A CB 0.638 19.521 19.000 -0.195 0.000 0.818 281 A HN 0.643 8.625 8.150 -0.279 0.000 0.453 282 S N -4.023 111.664 115.700 -0.021 0.000 2.714 282 S HA 0.079 nan 4.470 nan 0.000 0.280 282 S C -1.069 173.550 174.600 0.031 0.000 1.200 282 S CA -0.923 57.278 58.200 0.002 0.000 0.900 282 S CB 0.451 63.648 63.200 -0.006 0.000 1.235 282 S HN -0.682 7.657 8.310 0.047 0.000 0.512 283 N N -0.662 118.027 118.700 -0.017 0.000 2.571 283 N HA -0.083 nan 4.740 nan 0.000 0.189 283 N C -0.474 175.048 175.510 0.020 0.000 1.154 283 N CA 1.571 54.601 53.050 -0.032 0.000 0.907 283 N CB -0.191 38.284 38.487 -0.019 0.000 0.977 283 N HN 0.257 8.625 8.380 -0.020 0.000 0.449 284 K N -1.623 118.793 120.400 0.027 0.000 2.464 284 K HA 0.175 nan 4.320 nan 0.000 0.206 284 K C -1.425 175.167 176.600 -0.014 0.000 1.186 284 K CA 0.469 56.760 56.287 0.007 0.000 0.990 284 K CB 2.405 34.902 32.500 -0.005 0.000 1.003 284 K HN -0.296 7.894 8.250 0.024 0.075 0.562 285 T N 1.598 116.154 114.554 0.002 0.000 2.879 285 T HA 0.509 nan 4.350 nan 0.000 0.290 285 T C -1.766 172.876 174.700 -0.097 0.000 0.993 285 T CA -0.093 61.968 62.100 -0.064 0.000 0.975 285 T CB 2.311 71.143 68.868 -0.060 0.000 0.981 285 T HN -0.643 7.622 8.240 0.042 0.000 0.439 286 I N 5.907 126.325 120.570 -0.254 0.000 2.359 286 I HA 0.527 nan 4.170 nan 0.000 0.294 286 I C -1.711 174.267 176.117 -0.232 0.000 0.987 286 I CA -0.627 60.442 61.300 -0.385 0.000 1.225 286 I CB 1.491 39.137 38.000 -0.590 0.000 1.366 286 I HN 0.772 8.809 8.210 -0.289 0.000 0.466 287 E N 5.518 125.680 120.200 -0.063 0.000 2.244 287 E HA 0.747 nan 4.350 nan 0.000 0.266 287 E C -1.729 174.891 176.600 0.033 0.000 0.914 287 E CA -1.935 54.444 56.400 -0.036 0.000 0.794 287 E CB 4.018 33.889 29.700 0.285 0.000 1.210 287 E HN 0.487 8.844 8.360 -0.004 0.000 0.414 288 c N 0.036 118.452 118.600 -0.306 0.000 2.609 288 c HA 0.854 nan 4.570 nan 0.000 0.313 288 c C -1.466 172.346 174.090 -0.463 0.000 1.175 288 c CA -1.631 54.626 56.329 -0.120 0.000 1.434 288 c CB 3.390 45.914 42.510 0.024 0.000 2.005 288 c HN 0.371 8.185 8.230 -0.693 0.000 0.471 289 A N 2.910 125.581 122.820 -0.248 0.000 2.271 289 A HA 0.806 nan 4.320 nan 0.000 0.317 289 A C -1.631 175.956 177.584 0.004 0.000 1.245 289 A CA -1.811 50.116 52.037 -0.183 0.000 0.857 289 A CB 1.172 20.039 19.000 -0.221 0.000 1.175 289 A HN 0.612 8.812 8.150 0.082 0.000 0.512 290 c N 3.257 121.874 118.600 0.029 0.000 2.803 290 c HA 0.910 nan 4.570 nan 0.000 0.389 290 c C -1.179 172.940 174.090 0.048 0.000 1.433 290 c CA -2.143 54.214 56.329 0.048 0.000 1.714 290 c CB 4.331 46.881 42.510 0.065 0.000 2.106 290 c HN 0.908 9.162 8.230 0.041 0.000 0.480 291 R N 0.327 120.856 120.500 0.048 0.000 2.514 291 R HA 0.238 nan 4.340 nan 0.000 0.301 291 R C -2.607 173.747 176.300 0.090 0.000 0.962 291 R CA -0.918 55.205 56.100 0.038 0.000 0.882 291 R CB 2.785 33.089 30.300 0.006 0.000 1.143 291 R HN 0.782 9.084 8.270 0.054 0.000 0.452 292 D N 5.796 126.209 120.400 0.021 0.000 2.414 292 D HA 0.150 nan 4.640 nan 0.000 0.232 292 D C -0.743 175.371 176.300 -0.310 0.000 1.070 292 D CA -1.247 52.710 54.000 -0.073 0.000 0.839 292 D CB 1.018 41.799 40.800 -0.032 0.000 1.079 292 D HN 0.304 8.669 8.370 -0.008 0.000 0.521 293 N N 5.987 124.315 118.700 -0.620 0.000 2.398 293 N HA 0.016 nan 4.740 nan 0.000 0.188 293 N C 0.113 175.317 175.510 -0.509 0.000 1.122 293 N CA 1.263 54.065 53.050 -0.414 0.000 0.866 293 N CB 1.482 39.879 38.487 -0.150 0.000 0.970 293 N HN -0.022 7.850 8.380 -0.846 0.000 0.462 294 S N -0.781 114.438 115.700 -0.802 0.000 2.807 294 S HA 0.140 nan 4.470 nan 0.000 0.247 294 S C 1.140 175.375 174.600 -0.608 0.000 1.078 294 S CA 1.612 59.343 58.200 -0.781 0.000 0.867 294 S CB 0.993 63.465 63.200 -1.213 0.000 0.797 294 S HN 0.097 8.079 8.310 -1.010 -0.278 0.515 295 Y N -3.957 116.235 120.300 -0.179 0.000 2.535 295 Y HA 0.196 nan 4.550 nan 0.000 0.264 295 Y C -0.445 175.389 175.900 -0.110 0.000 1.087 295 Y CA -0.029 58.005 58.100 -0.110 0.000 1.285 295 Y CB 1.689 40.106 38.460 -0.072 0.000 1.200 295 Y HN -0.259 8.271 8.280 -0.423 -0.504 0.514 296 T N -3.524 111.031 114.554 0.001 0.000 2.868 296 T HA 0.238 nan 4.350 nan 0.000 0.306 296 T C -1.935 172.712 174.700 -0.087 0.000 1.224 296 T CA -1.665 60.408 62.100 -0.046 0.000 1.012 296 T CB 2.605 71.461 68.868 -0.020 0.000 1.221 296 T HN -0.749 7.464 8.240 -0.045 0.000 0.499 297 A N 1.711 124.453 122.820 -0.130 0.000 2.275 297 A HA 0.307 nan 4.320 nan 0.000 0.212 297 A C -0.558 176.983 177.584 -0.072 0.000 1.201 297 A CA 0.053 52.020 52.037 -0.118 0.000 0.843 297 A CB 0.896 19.795 19.000 -0.169 0.000 0.873 297 A HN 0.522 8.566 8.150 -0.176 0.000 0.492 298 K N -0.282 120.075 120.400 -0.071 0.000 2.237 298 K HA -0.078 nan 4.320 nan 0.000 0.270 298 K C -0.940 175.673 176.600 0.022 0.000 1.015 298 K CA -0.138 56.156 56.287 0.011 0.000 0.949 298 K CB 0.628 33.133 32.500 0.009 0.000 0.976 298 K HN -0.482 7.655 8.250 -0.103 0.051 0.472 299 R N 1.391 121.912 120.500 0.035 0.000 2.308 299 R HA 0.257 nan 4.340 nan 0.000 0.305 299 R C -2.077 174.291 176.300 0.112 0.000 1.053 299 R CA -2.656 53.478 56.100 0.057 0.000 0.957 299 R CB -0.034 30.295 30.300 0.049 0.000 1.022 299 R HN 0.247 8.532 8.270 0.023 0.000 0.461 300 P HA -0.043 nan 4.420 nan 0.000 0.264 300 P C -1.945 175.481 177.300 0.209 0.000 1.193 300 P CA 0.786 63.976 63.100 0.150 0.000 0.763 300 P CB 0.152 31.929 31.700 0.129 0.000 0.810 301 F N 5.528 125.588 119.950 0.184 0.000 2.460 301 F HA 0.469 nan 4.527 nan 0.000 0.341 301 F C -1.522 174.523 175.800 0.408 0.000 1.130 301 F CA -1.541 56.602 58.000 0.238 0.000 0.962 301 F CB 2.979 42.140 39.000 0.269 0.000 1.171 301 F HN 0.465 8.899 8.300 0.402 0.107 0.436 302 V N 9.053 128.883 119.914 -0.140 0.000 2.509 302 V HA 0.377 nan 4.120 nan 0.000 0.284 302 V C -1.235 174.780 176.094 -0.132 0.000 1.047 302 V CA -0.949 61.360 62.300 0.014 0.000 0.952 302 V CB 0.727 32.546 31.823 -0.007 0.000 0.988 302 V HN 0.778 8.693 8.190 -0.457 0.000 0.469 303 K N 5.575 126.006 120.400 0.052 0.000 2.483 303 K HA 0.660 nan 4.320 nan 0.000 0.256 303 K C -1.981 174.547 176.600 -0.120 0.000 0.961 303 K CA -1.208 55.030 56.287 -0.081 0.000 0.873 303 K CB 2.210 34.622 32.500 -0.146 0.000 1.107 303 K HN 0.429 8.838 8.250 0.264 0.000 0.432 304 L N 5.297 126.366 121.223 -0.257 0.000 2.287 304 L HA 0.470 nan 4.340 nan 0.000 0.287 304 L C -2.464 174.242 176.870 -0.274 0.000 1.022 304 L CA -1.424 53.210 54.840 -0.343 0.000 0.814 304 L CB 2.893 44.573 42.059 -0.632 0.000 1.217 304 L HN 0.936 9.004 8.230 -0.269 0.000 0.420 305 N N 6.885 125.472 118.700 -0.188 0.000 2.406 305 N HA 0.172 nan 4.740 nan 0.000 0.251 305 N C 0.097 175.510 175.510 -0.161 0.000 1.069 305 N CA -0.156 52.814 53.050 -0.134 0.000 0.947 305 N CB 1.051 39.499 38.487 -0.064 0.000 1.111 305 N HN 0.326 8.610 8.380 -0.160 0.000 0.497 306 V N 6.175 125.979 119.914 -0.183 0.000 2.626 306 V HA -0.384 nan 4.120 nan 0.000 0.252 306 V C 0.581 176.658 176.094 -0.029 0.000 1.067 306 V CA 3.216 65.408 62.300 -0.179 0.000 1.081 306 V CB -0.213 31.524 31.823 -0.144 0.000 0.686 306 V HN 0.553 8.649 8.190 -0.157 0.000 0.468 307 E N -3.634 116.555 120.200 -0.019 0.000 2.107 307 E HA -0.189 nan 4.350 nan 0.000 0.191 307 E C 1.150 177.757 176.600 0.012 0.000 0.982 307 E CA 2.142 58.546 56.400 0.007 0.000 0.809 307 E CB 0.321 30.023 29.700 0.003 0.000 0.756 307 E HN -0.163 8.360 8.360 -0.036 -0.184 0.459 308 T N -8.502 106.052 114.554 0.001 0.000 3.040 308 T HA 0.206 nan 4.350 nan 0.000 0.250 308 T C 0.283 174.994 174.700 0.019 0.000 1.058 308 T CA -0.768 61.339 62.100 0.011 0.000 0.988 308 T CB 0.655 69.528 68.868 0.009 0.000 0.993 308 T HN -0.633 7.819 8.240 -0.016 -0.222 0.519 309 D N 0.620 121.028 120.400 0.014 0.000 2.697 309 D HA -0.374 nan 4.640 nan 0.000 0.238 309 D C -1.227 175.081 176.300 0.013 0.000 1.152 309 D CA 1.446 55.465 54.000 0.033 0.000 0.666 309 D CB -1.758 39.093 40.800 0.086 0.000 1.037 309 D HN 0.048 8.416 8.370 -0.003 0.000 0.423 310 T N -8.425 106.117 114.554 -0.020 0.000 2.887 310 T HA 0.469 nan 4.350 nan 0.000 0.288 310 T C -2.450 172.221 174.700 -0.047 0.000 1.021 310 T CA -2.729 59.368 62.100 -0.004 0.000 1.000 310 T CB 3.781 72.661 68.868 0.020 0.000 1.034 310 T HN -0.774 7.440 8.240 -0.043 0.000 0.467 311 A N 0.938 123.744 122.820 -0.024 0.000 2.498 311 A HA 0.889 nan 4.320 nan 0.000 0.298 311 A C -2.680 174.937 177.584 0.055 0.000 1.075 311 A CA -1.268 50.737 52.037 -0.053 0.000 0.714 311 A CB 3.066 21.956 19.000 -0.184 0.000 1.299 311 A HN 0.385 8.548 8.150 0.021 0.000 0.407 312 E N 0.735 121.015 120.200 0.133 0.000 2.314 312 E HA 0.912 nan 4.350 nan 0.000 0.272 312 E C -2.155 174.603 176.600 0.264 0.000 0.884 312 E CA -1.660 54.849 56.400 0.181 0.000 0.753 312 E CB 4.353 34.213 29.700 0.267 0.000 1.213 312 E HN 0.038 8.484 8.360 0.143 0.000 0.432 313 I N 3.211 123.829 120.570 0.079 0.000 2.509 313 I HA 0.717 nan 4.170 nan 0.000 0.293 313 I C -1.523 174.417 176.117 -0.296 0.000 1.020 313 I CA -1.228 60.115 61.300 0.072 0.000 1.088 313 I CB 2.671 40.728 38.000 0.095 0.000 1.267 313 I HN 0.676 8.881 8.210 -0.009 0.000 0.430 314 R N 3.156 123.369 120.500 -0.478 0.000 2.774 314 R HA 0.432 nan 4.340 nan 0.000 0.272 314 R C -1.728 174.450 176.300 -0.202 0.000 1.000 314 R CA -2.767 52.936 56.100 -0.661 0.000 0.906 314 R CB 4.081 33.538 30.300 -1.405 0.000 1.227 314 R HN 0.252 8.501 8.270 -0.035 0.000 0.468 315 L N 1.171 122.330 121.223 -0.106 0.000 2.461 315 L HA 0.081 nan 4.340 nan 0.000 0.272 315 L C 0.037 176.971 176.870 0.107 0.000 1.197 315 L CA 0.259 55.120 54.840 0.035 0.000 0.836 315 L CB 0.334 42.394 42.059 0.001 0.000 1.105 315 L HN 0.357 8.487 8.230 -0.168 0.000 0.477 316 M N 0.326 120.005 119.600 0.132 0.000 2.238 316 M HA -0.259 nan 4.480 nan 0.000 0.350 316 M C -0.255 176.056 176.300 0.019 0.000 1.321 316 M CA 1.454 56.784 55.300 0.050 0.000 1.097 316 M CB 0.335 32.903 32.600 -0.054 0.000 1.713 316 M HN 0.106 8.478 8.290 0.137 0.000 0.455 317 c N 5.314 123.912 118.600 -0.002 0.000 2.594 317 c HA 0.163 nan 4.570 nan 0.000 0.265 317 c C 0.510 174.579 174.090 -0.036 0.000 1.351 317 c CA -0.555 55.775 56.329 0.002 0.000 1.744 317 c CB -0.596 41.919 42.510 0.008 0.000 1.890 317 c HN 0.358 8.581 8.230 -0.012 0.000 0.551 318 T N 1.140 115.624 114.554 -0.117 0.000 2.933 318 T HA -0.171 nan 4.350 nan 0.000 0.306 318 T C 1.054 175.602 174.700 -0.253 0.000 1.045 318 T CA 1.766 63.750 62.100 -0.193 0.000 1.143 318 T CB 0.621 69.314 68.868 -0.292 0.000 1.003 318 T HN -0.239 7.915 8.240 -0.144 0.000 0.540 319 E N 4.675 124.691 120.200 -0.307 0.000 2.409 319 E HA -0.121 nan 4.350 nan 0.000 0.198 319 E C 0.785 176.828 176.600 -0.930 0.000 1.024 319 E CA 1.389 57.468 56.400 -0.536 0.000 0.861 319 E CB 0.094 29.614 29.700 -0.301 0.000 0.788 319 E HN -0.022 8.201 8.360 -0.229 0.000 0.521 320 T N 3.194 117.359 114.554 -0.647 0.000 3.688 320 T HA 0.059 nan 4.350 nan 0.000 0.307 320 T C -0.429 173.929 174.700 -0.571 0.000 1.382 320 T CA -0.462 61.262 62.100 -0.627 0.000 1.136 320 T CB -1.595 66.926 68.868 -0.579 0.000 1.207 320 T HN -0.688 7.222 8.240 -0.478 0.043 0.854 321 Y N 4.243 124.420 120.300 -0.205 0.000 2.805 321 Y HA -0.250 nan 4.550 nan 0.000 0.331 321 Y C 0.803 176.590 175.900 -0.189 0.000 1.241 321 Y CA -1.008 56.989 58.100 -0.172 0.000 1.546 321 Y CB -0.513 37.879 38.460 -0.115 0.000 1.248 321 Y HN -0.351 7.235 8.280 -1.259 -0.062 0.559 322 L N 2.497 123.692 121.223 -0.047 0.000 2.585 322 L HA 0.039 nan 4.340 nan 0.000 0.226 322 L C -0.024 176.835 176.870 -0.019 0.000 1.113 322 L CA 0.038 54.828 54.840 -0.084 0.000 0.876 322 L CB 0.262 42.243 42.059 -0.130 0.000 1.072 322 L HN 0.283 8.500 8.230 -0.022 0.000 0.468 323 D N -0.093 120.307 120.400 0.000 0.000 2.411 323 D HA 0.001 nan 4.640 nan 0.000 0.251 323 D C -1.675 174.619 176.300 -0.011 0.000 1.201 323 D CA 0.231 54.225 54.000 -0.010 0.000 0.996 323 D CB 2.417 43.203 40.800 -0.024 0.000 1.101 323 D HN -0.814 7.569 8.370 0.021 0.000 0.504 324 T N 1.119 115.658 114.554 -0.026 0.000 2.937 324 T HA 0.474 nan 4.350 nan 0.000 0.297 324 T C -2.336 172.332 174.700 -0.054 0.000 0.991 324 T CA -2.757 59.322 62.100 -0.035 0.000 0.990 324 T CB 2.299 71.142 68.868 -0.042 0.000 0.991 324 T HN 0.144 8.365 8.240 -0.031 0.000 0.440 325 P HA 0.474 nan 4.420 nan 0.000 0.274 325 P C -1.423 175.852 177.300 -0.042 0.000 1.256 325 P CA -0.500 62.572 63.100 -0.047 0.000 0.795 325 P CB 0.989 32.657 31.700 -0.052 0.000 1.038 326 R N -3.679 116.805 120.500 -0.026 0.000 2.710 326 R HA 0.499 nan 4.340 nan 0.000 0.270 326 R C -2.272 174.023 176.300 -0.007 0.000 1.021 326 R CA -2.538 53.550 56.100 -0.020 0.000 0.889 326 R CB 0.650 30.978 30.300 0.047 0.000 1.243 326 R HN 0.286 8.545 8.270 -0.018 0.000 0.464 327 P HA -0.035 nan 4.420 nan 0.000 0.275 327 P C -1.410 175.960 177.300 0.117 0.000 1.266 327 P CA -0.573 62.531 63.100 0.007 0.000 0.793 327 P CB 0.362 32.022 31.700 -0.066 0.000 1.074 328 D N -1.254 119.204 120.400 0.097 0.000 2.472 328 D HA -0.139 nan 4.640 nan 0.000 0.237 328 D C 0.378 176.787 176.300 0.181 0.000 1.141 328 D CA 1.328 55.389 54.000 0.102 0.000 0.875 328 D CB 0.351 41.186 40.800 0.057 0.000 1.192 328 D HN 0.157 8.561 8.370 0.057 0.000 0.450 329 D N 0.667 121.097 120.400 0.051 0.000 2.533 329 D HA -0.344 nan 4.640 nan 0.000 0.236 329 D C 1.119 177.378 176.300 -0.070 0.000 1.137 329 D CA 1.975 55.882 54.000 -0.154 0.000 0.867 329 D CB -0.079 40.589 40.800 -0.220 0.000 1.170 329 D HN 0.002 8.385 8.370 0.021 0.000 0.474 330 G N 4.738 113.453 108.800 -0.142 0.000 2.184 330 G HA2 -0.411 nan 3.960 nan 0.000 0.264 330 G HA3 -0.411 nan 3.960 nan 0.000 0.264 330 G C 0.338 175.321 174.900 0.139 0.000 0.975 330 G CA 0.778 45.882 45.100 0.008 0.000 0.642 330 G HN 0.208 8.111 8.290 -0.644 0.000 0.536 331 S N -0.737 115.095 115.700 0.220 0.000 2.562 331 S HA -0.108 nan 4.470 nan 0.000 0.221 331 S C 0.791 175.438 174.600 0.077 0.000 0.975 331 S CA 1.363 59.632 58.200 0.115 0.000 0.918 331 S CB 0.759 64.011 63.200 0.087 0.000 0.772 331 S HN -0.314 8.148 8.310 0.350 0.059 0.531 332 I N 4.281 124.920 120.570 0.114 0.000 2.308 332 I HA -0.059 nan 4.170 nan 0.000 0.293 332 I C -0.532 175.605 176.117 0.033 0.000 1.078 332 I CA -0.212 61.085 61.300 -0.005 0.000 1.292 332 I CB -0.521 37.381 38.000 -0.164 0.000 1.423 332 I HN -0.561 7.794 8.210 0.321 0.047 0.493 333 T N 9.516 124.073 114.554 0.005 0.000 2.860 333 T HA -0.005 nan 4.350 nan 0.000 0.299 333 T C 0.043 174.740 174.700 -0.006 0.000 1.045 333 T CA 0.998 63.100 62.100 0.003 0.000 1.071 333 T CB 0.620 69.487 68.868 -0.003 0.000 0.985 333 T HN 0.096 8.331 8.240 -0.009 0.000 0.537 334 G N 2.024 110.821 108.800 -0.005 0.000 2.685 334 G HA2 -0.131 nan 3.960 nan 0.000 0.387 334 G HA3 -0.131 nan 3.960 nan 0.000 0.387 334 G C -2.973 171.922 174.900 -0.009 0.000 1.324 334 G CA -0.907 44.187 45.100 -0.011 0.000 0.878 334 G HN -0.090 8.199 8.290 -0.001 0.000 0.527 335 P HA 0.202 nan 4.420 nan 0.000 0.271 335 P C 0.713 178.006 177.300 -0.012 0.000 1.244 335 P CA -0.973 62.119 63.100 -0.013 0.000 0.793 335 P CB 0.759 32.447 31.700 -0.019 0.000 0.984 336 c N 0.151 118.747 118.600 -0.008 0.000 2.396 336 c HA -0.288 nan 4.570 nan 0.000 0.277 336 c C 2.491 176.569 174.090 -0.019 0.000 1.231 336 c CA 2.731 59.058 56.329 -0.003 0.000 1.775 336 c CB -1.185 41.326 42.510 0.002 0.000 2.036 336 c HN 0.425 8.652 8.230 -0.006 0.000 0.484 337 E N -1.878 118.298 120.200 -0.040 0.000 2.482 337 E HA -0.225 nan 4.350 nan 0.000 0.196 337 E C -0.051 176.517 176.600 -0.053 0.000 1.047 337 E CA 0.944 57.309 56.400 -0.059 0.000 0.869 337 E CB -0.871 28.783 29.700 -0.077 0.000 0.836 337 E HN 0.303 8.619 8.360 -0.039 0.020 0.520 338 S N 2.023 117.697 115.700 -0.044 0.000 2.537 338 S HA -0.084 nan 4.470 nan 0.000 0.286 338 S C 0.611 175.173 174.600 -0.064 0.000 1.299 338 S CA 0.759 58.928 58.200 -0.052 0.000 1.067 338 S CB 0.716 63.889 63.200 -0.044 0.000 0.864 338 S HN -0.207 7.920 8.310 -0.034 0.162 0.494 339 N N 5.666 124.326 118.700 -0.066 0.000 2.142 339 N HA -0.186 nan 4.740 nan 0.000 0.186 339 N C 1.081 176.529 175.510 -0.104 0.000 1.023 339 N CA 1.401 54.412 53.050 -0.066 0.000 0.852 339 N CB 0.041 38.506 38.487 -0.038 0.000 0.998 339 N HN 0.560 8.902 8.380 -0.064 0.000 0.424 340 G N -2.260 106.477 108.800 -0.105 0.000 2.828 340 G HA2 -0.383 nan 3.960 nan 0.000 0.463 340 G HA3 -0.383 nan 3.960 nan 0.000 0.463 340 G C -1.725 173.105 174.900 -0.116 0.000 1.394 340 G CA -0.513 44.502 45.100 -0.141 0.000 0.862 340 G HN -0.425 7.817 8.290 -0.080 0.000 0.540 341 D N -0.859 119.466 120.400 -0.125 0.000 2.437 341 D HA 0.051 nan 4.640 nan 0.000 0.259 341 D C -0.094 176.142 176.300 -0.106 0.000 1.118 341 D CA -0.955 52.990 54.000 -0.092 0.000 1.017 341 D CB 1.361 42.118 40.800 -0.072 0.000 1.120 341 D HN 0.056 8.337 8.370 -0.149 0.000 0.541 342 K N -2.013 118.340 120.400 -0.079 0.000 3.071 342 K HA -0.261 nan 4.320 nan 0.000 0.265 342 K C -0.312 176.234 176.600 -0.090 0.000 1.060 342 K CA 0.670 56.911 56.287 -0.077 0.000 0.767 342 K CB -1.636 30.820 32.500 -0.072 0.000 1.241 342 K HN 0.417 8.629 8.250 -0.063 0.000 0.486 343 G N -1.946 106.801 108.800 -0.088 0.000 2.464 343 G HA2 -0.170 nan 3.960 nan 0.000 0.217 343 G HA3 -0.170 nan 3.960 nan 0.000 0.217 343 G C -0.319 174.507 174.900 -0.122 0.000 1.138 343 G CA 0.044 45.086 45.100 -0.096 0.000 0.793 343 G HN 0.276 8.499 8.290 -0.075 0.022 0.539 344 R N 0.018 120.449 120.500 -0.115 0.000 2.590 344 R HA -0.192 nan 4.340 nan 0.000 0.274 344 R C -0.128 176.102 176.300 -0.115 0.000 1.061 344 R CA 1.062 57.080 56.100 -0.136 0.000 1.081 344 R CB 0.304 30.541 30.300 -0.105 0.000 0.984 344 R HN -0.531 7.685 8.270 -0.091 0.000 0.448 345 G N 2.495 111.221 108.800 -0.123 0.000 2.757 345 G HA2 -0.299 nan 3.960 nan 0.000 0.638 345 G HA3 -0.299 nan 3.960 nan 0.000 0.638 345 G C -2.358 172.487 174.900 -0.092 0.000 1.344 345 G CA -0.719 44.327 45.100 -0.090 0.000 0.855 345 G HN 0.432 8.631 8.290 -0.151 0.000 0.537 346 G N -3.664 105.101 108.800 -0.059 0.000 2.322 346 G HA2 0.381 nan 3.960 nan 0.000 0.295 346 G HA3 0.381 nan 3.960 nan 0.000 0.295 346 G C -3.062 171.825 174.900 -0.023 0.000 1.369 346 G CA -0.163 44.908 45.100 -0.049 0.000 0.821 346 G HN -0.346 7.916 8.290 -0.047 0.000 0.536 347 I N -2.293 118.254 120.570 -0.040 0.000 2.775 347 I HA 0.338 nan 4.170 nan 0.000 0.295 347 I C -2.643 173.367 176.117 -0.178 0.000 1.287 347 I CA -1.377 59.887 61.300 -0.061 0.000 1.029 347 I CB 4.304 42.303 38.000 -0.003 0.000 1.282 347 I HN 0.566 9.038 8.210 -0.046 -0.290 0.426 348 K N 6.517 126.610 120.400 -0.512 0.000 2.401 348 K HA -0.018 nan 4.320 nan 0.000 0.278 348 K C -1.256 175.272 176.600 -0.121 0.000 1.018 348 K CA 0.692 56.734 56.287 -0.408 0.000 0.981 348 K CB 1.286 33.343 32.500 -0.739 0.000 0.933 348 K HN 0.329 7.977 8.250 -1.004 0.000 0.477 349 G N 2.191 110.997 108.800 0.011 0.000 2.482 349 G HA2 0.375 nan 3.960 nan 0.000 0.317 349 G HA3 0.375 nan 3.960 nan 0.000 0.317 349 G C -1.560 173.452 174.900 0.187 0.000 1.241 349 G CA -1.694 43.469 45.100 0.104 0.000 0.967 349 G HN -0.042 8.256 8.290 0.013 0.000 0.482 350 G N 0.674 109.593 108.800 0.198 0.000 2.398 350 G HA2 0.008 nan 3.960 nan 0.000 0.246 350 G HA3 0.008 nan 3.960 nan 0.000 0.246 350 G C -2.260 172.822 174.900 0.303 0.000 1.289 350 G CA -0.104 45.123 45.100 0.212 0.000 0.869 350 G HN -0.096 8.293 8.290 0.166 0.000 0.543 351 F N 3.981 123.962 119.950 0.052 0.000 2.623 351 F HA 0.387 nan 4.527 nan 0.000 0.323 351 F C -2.503 173.239 175.800 -0.095 0.000 1.158 351 F CA -1.142 56.805 58.000 -0.088 0.000 1.030 351 F CB 2.631 41.614 39.000 -0.027 0.000 1.280 351 F HN -0.356 8.095 8.300 0.252 0.000 0.474 352 V N 5.300 124.883 119.914 -0.552 0.000 3.087 352 V HA 0.469 nan 4.120 nan 0.000 0.306 352 V C -2.585 173.200 176.094 -0.515 0.000 1.187 352 V CA -2.270 59.717 62.300 -0.522 0.000 0.999 352 V CB 4.773 36.524 31.823 -0.120 0.000 1.049 352 V HN 0.730 8.681 8.190 -0.399 0.000 0.431 353 H N 4.454 123.359 119.070 -0.275 0.000 2.472 353 H HA 0.620 nan 4.556 nan 0.000 0.335 353 H C -1.363 174.016 175.328 0.086 0.000 1.136 353 H CA -1.137 54.855 56.048 -0.094 0.000 1.264 353 H CB 1.809 31.516 29.762 -0.092 0.000 1.486 353 H HN 0.420 8.646 8.280 -0.089 0.000 0.517 354 Q N 3.267 123.256 119.800 0.315 0.000 2.381 354 Q HA 0.245 nan 4.340 nan 0.000 0.263 354 Q C -1.117 175.024 176.000 0.235 0.000 1.030 354 Q CA -1.580 54.403 55.803 0.301 0.000 0.772 354 Q CB 1.561 30.595 28.738 0.493 0.000 1.232 354 Q HN 0.816 9.155 8.270 0.287 0.103 0.476 355 R N 7.373 127.971 120.500 0.164 0.000 2.196 355 R HA 0.520 nan 4.340 nan 0.000 0.340 355 R C -0.878 175.486 176.300 0.107 0.000 1.043 355 R CA -0.466 55.705 56.100 0.119 0.000 0.883 355 R CB 0.968 31.310 30.300 0.070 0.000 1.078 355 R HN 0.951 9.307 8.270 0.143 0.000 0.462 356 M N 4.711 124.379 119.600 0.113 0.000 2.811 356 M HA 0.275 nan 4.480 nan 0.000 0.303 356 M C 0.914 177.249 176.300 0.059 0.000 1.227 356 M CA -0.746 54.606 55.300 0.087 0.000 0.874 356 M CB 2.013 34.674 32.600 0.102 0.000 1.681 356 M HN 0.160 8.525 8.290 0.126 0.000 0.500 357 A N 1.112 123.955 122.820 0.040 0.000 1.902 357 A HA -0.043 nan 4.320 nan 0.000 0.217 357 A C 0.341 177.940 177.584 0.026 0.000 1.181 357 A CA 2.523 54.575 52.037 0.025 0.000 0.623 357 A CB -0.495 18.514 19.000 0.016 0.000 0.818 357 A HN 0.494 8.667 8.150 0.038 0.000 0.443 358 S N -4.436 111.282 115.700 0.030 0.000 2.701 358 S HA 0.086 nan 4.470 nan 0.000 0.242 358 S C -0.915 173.709 174.600 0.040 0.000 1.025 358 S CA 0.109 58.325 58.200 0.027 0.000 1.016 358 S CB 0.884 64.093 63.200 0.015 0.000 0.977 358 S HN -0.024 8.305 8.310 0.032 0.000 0.546 359 K N 1.718 122.157 120.400 0.065 0.000 2.527 359 K HA 0.356 nan 4.320 nan 0.000 0.260 359 K C -2.784 173.908 176.600 0.153 0.000 0.937 359 K CA 0.055 56.404 56.287 0.104 0.000 0.826 359 K CB 2.918 35.468 32.500 0.084 0.000 1.359 359 K HN -0.949 7.342 8.250 0.068 0.000 0.434 360 I N 3.017 123.697 120.570 0.183 0.000 2.466 360 I HA 0.617 nan 4.170 nan 0.000 0.289 360 I C -2.191 174.023 176.117 0.162 0.000 1.026 360 I CA -2.312 59.098 61.300 0.182 0.000 1.078 360 I CB 3.819 41.903 38.000 0.139 0.000 1.249 360 I HN 0.407 9.041 8.210 0.173 -0.321 0.429 361 G N 6.937 115.787 108.800 0.084 0.000 2.348 361 G HA2 0.671 nan 3.960 nan 0.000 0.312 361 G HA3 0.671 nan 3.960 nan 0.000 0.312 361 G C -2.287 172.439 174.900 -0.291 0.000 1.126 361 G CA -1.234 43.578 45.100 -0.480 0.000 0.865 361 G HN 0.812 9.219 8.290 0.195 0.000 0.474 362 R N 4.130 124.366 120.500 -0.441 0.000 2.360 362 R HA 0.583 nan 4.340 nan 0.000 0.318 362 R C -1.189 174.781 176.300 -0.550 0.000 0.950 362 R CA -1.379 54.530 56.100 -0.318 0.000 0.837 362 R CB 2.429 32.701 30.300 -0.047 0.000 1.165 362 R HN 0.828 8.754 8.270 -0.573 0.000 0.458 363 W N 5.013 126.025 121.300 -0.480 0.000 2.469 363 W HA 0.402 nan 4.660 nan 0.000 0.320 363 W C -0.941 175.301 176.519 -0.462 0.000 1.086 363 W CA -0.621 56.480 57.345 -0.406 0.000 1.211 363 W CB 1.896 31.104 29.460 -0.419 0.000 1.298 363 W HN 0.860 8.950 8.180 -0.150 0.000 0.525 364 Y N 0.961 121.376 120.300 0.191 0.000 2.553 364 Y HA 0.407 nan 4.550 nan 0.000 0.347 364 Y C -1.574 174.406 175.900 0.133 0.000 1.019 364 Y CA -1.677 56.529 58.100 0.176 0.000 1.032 364 Y CB 4.191 42.714 38.460 0.106 0.000 1.284 364 Y HN 0.878 9.325 8.280 0.277 0.000 0.466 365 S N 0.225 116.089 115.700 0.273 0.000 2.542 365 S HA 0.910 nan 4.470 nan 0.000 0.293 365 S C -1.479 173.220 174.600 0.166 0.000 1.089 365 S CA -1.380 56.926 58.200 0.176 0.000 0.961 365 S CB 2.685 65.929 63.200 0.074 0.000 1.062 365 S HN 0.139 8.622 8.310 0.287 0.000 0.483 366 R N -1.128 119.465 120.500 0.156 0.000 2.707 366 R HA 0.582 nan 4.340 nan 0.000 0.272 366 R C -0.432 175.930 176.300 0.103 0.000 1.011 366 R CA -1.648 54.514 56.100 0.103 0.000 0.893 366 R CB 3.455 33.782 30.300 0.044 0.000 1.233 366 R HN 0.395 8.776 8.270 0.184 0.000 0.464 367 T N -3.268 111.328 114.554 0.071 0.000 2.906 367 T HA 0.047 nan 4.350 nan 0.000 0.320 367 T C 0.983 175.729 174.700 0.076 0.000 1.088 367 T CA 0.307 62.444 62.100 0.063 0.000 1.120 367 T CB 0.655 69.540 68.868 0.029 0.000 1.000 367 T HN 0.488 8.761 8.240 0.054 0.000 0.550 368 M N 3.133 122.777 119.600 0.072 0.000 2.156 368 M HA -0.250 nan 4.480 nan 0.000 0.264 368 M C 0.267 176.602 176.300 0.059 0.000 1.067 368 M CA 2.910 58.258 55.300 0.081 0.000 1.131 368 M CB 0.660 33.302 32.600 0.070 0.000 1.368 368 M HN 0.029 8.240 8.290 0.063 0.117 0.416 369 S N -1.853 113.870 115.700 0.038 0.000 2.549 369 S HA -0.082 nan 4.470 nan 0.000 0.279 369 S C 0.917 175.525 174.600 0.015 0.000 1.321 369 S CA -0.359 57.854 58.200 0.022 0.000 1.054 369 S CB 0.701 63.906 63.200 0.008 0.000 0.899 369 S HN -0.463 7.869 8.310 0.037 0.000 0.497 370 K N 5.538 125.946 120.400 0.013 0.000 2.296 370 K HA -0.151 nan 4.320 nan 0.000 0.200 370 K C 0.798 177.393 176.600 -0.008 0.000 1.048 370 K CA 2.817 59.110 56.287 0.010 0.000 0.966 370 K CB 0.096 32.606 32.500 0.016 0.000 0.754 370 K HN 0.602 8.861 8.250 0.014 0.000 0.466 371 T N -9.840 104.704 114.554 -0.018 0.000 2.975 371 T HA 0.285 nan 4.350 nan 0.000 0.261 371 T C 0.018 174.686 174.700 -0.055 0.000 0.984 371 T CA -0.129 61.951 62.100 -0.034 0.000 0.911 371 T CB 0.748 69.600 68.868 -0.027 0.000 1.127 371 T HN -0.530 7.679 8.240 -0.012 0.024 0.514 372 E N 1.313 121.481 120.200 -0.054 0.000 2.320 372 E HA 0.281 nan 4.350 nan 0.000 0.264 372 E C -1.447 175.084 176.600 -0.114 0.000 0.923 372 E CA -2.137 54.212 56.400 -0.085 0.000 0.796 372 E CB 3.269 32.941 29.700 -0.047 0.000 1.262 372 E HN -0.467 7.872 8.360 -0.035 0.000 0.428 373 R N 1.614 121.981 120.500 -0.221 0.000 4.138 373 R HA 0.018 nan 4.340 nan 0.000 0.206 373 R C -1.256 175.005 176.300 -0.065 0.000 1.667 373 R CA -0.133 55.787 56.100 -0.299 0.000 1.481 373 R CB -0.572 29.146 30.300 -0.970 0.000 1.388 373 R HN 0.649 8.764 8.270 -0.257 0.000 0.776 374 M N 1.035 120.639 119.600 0.006 0.000 2.327 374 M HA 0.412 nan 4.480 nan 0.000 0.298 374 M C -0.999 175.338 176.300 0.062 0.000 1.065 374 M CA -2.133 53.205 55.300 0.064 0.000 0.916 374 M CB 3.407 36.036 32.600 0.049 0.000 1.630 374 M HN 0.083 8.320 8.290 -0.015 0.044 0.442 375 G N 4.847 113.693 108.800 0.077 0.000 2.814 375 G HA2 -0.365 nan 3.960 nan 0.000 0.677 375 G HA3 -0.365 nan 3.960 nan 0.000 0.677 375 G C -2.518 172.419 174.900 0.062 0.000 1.429 375 G CA -0.053 45.084 45.100 0.062 0.000 0.868 375 G HN 0.680 9.026 8.290 0.094 0.000 0.553 376 M N 2.134 121.757 119.600 0.038 0.000 2.307 376 M HA 0.297 nan 4.480 nan 0.000 0.279 376 M C -2.744 173.539 176.300 -0.027 0.000 1.080 376 M CA -0.209 55.105 55.300 0.024 0.000 0.964 376 M CB 3.586 36.192 32.600 0.010 0.000 1.825 376 M HN 0.049 8.274 8.290 0.026 0.081 0.489 377 E N 3.172 123.369 120.200 -0.005 0.000 2.392 377 E HA 0.903 nan 4.350 nan 0.000 0.269 377 E C -2.817 173.696 176.600 -0.146 0.000 0.924 377 E CA -2.328 53.998 56.400 -0.124 0.000 0.784 377 E CB 4.262 33.907 29.700 -0.092 0.000 1.292 377 E HN 0.714 9.114 8.360 0.066 0.000 0.447 378 L N -0.176 120.816 121.223 -0.384 0.000 2.325 378 L HA 0.703 nan 4.340 nan 0.000 0.278 378 L C -2.036 174.527 176.870 -0.512 0.000 1.023 378 L CA -1.207 53.465 54.840 -0.281 0.000 0.811 378 L CB 3.002 44.898 42.059 -0.272 0.000 1.249 378 L HN 0.342 8.254 8.230 -0.530 0.000 0.431 379 Y N 2.708 122.973 120.300 -0.057 0.000 2.581 379 Y HA 0.570 nan 4.550 nan 0.000 0.345 379 Y C -2.156 173.684 175.900 -0.100 0.000 1.036 379 Y CA -1.000 57.060 58.100 -0.065 0.000 1.042 379 Y CB 4.523 42.966 38.460 -0.027 0.000 1.289 379 Y HN 0.588 8.977 8.280 0.182 0.000 0.471 380 V N -0.001 119.843 119.914 -0.117 0.000 3.012 380 V HA 0.745 nan 4.120 nan 0.000 0.307 380 V C -2.790 173.110 176.094 -0.324 0.000 1.166 380 V CA -1.583 60.394 62.300 -0.539 0.000 0.974 380 V CB 4.569 35.571 31.823 -1.368 0.000 1.040 380 V HN 0.555 8.725 8.190 -0.034 0.000 0.428 381 R N 4.825 125.083 120.500 -0.404 0.000 2.584 381 R HA 0.460 nan 4.340 nan 0.000 0.276 381 R C -2.663 173.388 176.300 -0.415 0.000 1.046 381 R CA -1.082 54.867 56.100 -0.251 0.000 0.906 381 R CB 4.888 35.139 30.300 -0.082 0.000 1.215 381 R HN 0.135 8.105 8.270 -0.501 0.000 0.449 382 Y N 4.810 125.052 120.300 -0.097 0.000 2.330 382 Y HA 0.357 nan 4.550 nan 0.000 0.336 382 Y C -0.426 175.454 175.900 -0.033 0.000 1.036 382 Y CA 0.551 58.613 58.100 -0.063 0.000 1.125 382 Y CB 0.687 39.114 38.460 -0.056 0.000 1.194 382 Y HN 0.205 8.540 8.280 0.092 0.000 0.469 383 D N 1.388 121.850 120.400 0.104 0.000 3.395 383 D HA -0.407 nan 4.640 nan 0.000 0.238 383 D C 0.328 176.636 176.300 0.013 0.000 1.741 383 D CA 1.388 55.426 54.000 0.063 0.000 1.135 383 D CB -0.267 40.576 40.800 0.072 0.000 0.767 383 D HN 0.556 8.987 8.370 0.102 0.000 0.934 384 G N -1.304 107.497 108.800 0.001 0.000 2.750 384 G HA2 -0.406 nan 3.960 nan 0.000 0.228 384 G HA3 -0.406 nan 3.960 nan 0.000 0.228 384 G C -2.035 172.830 174.900 -0.058 0.000 1.367 384 G CA -0.344 44.741 45.100 -0.025 0.000 0.871 384 G HN 0.105 8.403 8.290 0.013 0.000 0.560 385 D N -0.295 120.058 120.400 -0.078 0.000 2.549 385 D HA 0.552 nan 4.640 nan 0.000 0.251 385 D C -1.220 174.978 176.300 -0.170 0.000 1.153 385 D CA -3.380 50.542 54.000 -0.130 0.000 0.861 385 D CB 1.274 42.035 40.800 -0.065 0.000 1.207 385 D HN -0.448 8.338 8.370 -0.060 -0.451 0.543 386 P HA -0.169 nan 4.420 nan 0.000 0.217 386 P C 0.999 178.220 177.300 -0.131 0.000 1.148 386 P CA 2.216 65.055 63.100 -0.435 0.000 0.828 386 P CB 0.108 31.132 31.700 -1.126 0.000 0.783 387 W N -5.427 115.754 121.300 -0.199 0.000 2.519 387 W HA -0.027 nan 4.660 nan 0.000 0.266 387 W C 0.584 177.062 176.519 -0.068 0.000 1.253 387 W CA 1.452 58.745 57.345 -0.088 0.000 1.274 387 W CB -0.529 28.920 29.460 -0.017 0.000 1.114 387 W HN 0.055 8.488 8.180 -0.087 -0.305 0.596 388 T N -8.318 106.318 114.554 0.137 0.000 2.975 388 T HA 0.163 nan 4.350 nan 0.000 0.261 388 T C -0.182 174.527 174.700 0.016 0.000 0.984 388 T CA -0.651 61.492 62.100 0.071 0.000 0.911 388 T CB 1.877 70.790 68.868 0.075 0.000 1.127 388 T HN -0.691 7.486 8.240 0.097 0.121 0.514 389 D N 5.246 125.636 120.400 -0.017 0.000 2.338 389 D HA 0.135 nan 4.640 nan 0.000 0.255 389 D C -0.092 176.175 176.300 -0.055 0.000 1.237 389 D CA 0.528 54.503 54.000 -0.042 0.000 0.883 389 D CB -0.029 40.729 40.800 -0.069 0.000 1.087 389 D HN -0.079 8.277 8.370 -0.025 0.000 0.485 390 S N 2.412 118.086 115.700 -0.044 0.000 2.527 390 S HA -0.114 nan 4.470 nan 0.000 0.222 390 S C 0.232 174.783 174.600 -0.082 0.000 0.985 390 S CA 1.039 59.207 58.200 -0.054 0.000 0.921 390 S CB 0.715 63.897 63.200 -0.030 0.000 0.772 390 S HN 0.069 8.361 8.310 -0.031 0.000 0.529 391 D N 2.361 122.716 120.400 -0.075 0.000 2.472 391 D HA -0.163 nan 4.640 nan 0.000 0.237 391 D C -0.339 175.894 176.300 -0.111 0.000 1.141 391 D CA 0.852 54.806 54.000 -0.076 0.000 0.875 391 D CB 0.533 41.300 40.800 -0.055 0.000 1.192 391 D HN -0.078 8.210 8.370 -0.061 0.046 0.450 392 A N 1.642 124.399 122.820 -0.104 0.000 2.483 392 A HA 0.083 nan 4.320 nan 0.000 0.238 392 A C -0.511 177.022 177.584 -0.085 0.000 1.070 392 A CA 0.247 52.210 52.037 -0.123 0.000 0.770 392 A CB 0.696 19.649 19.000 -0.079 0.000 1.008 392 A HN 0.293 8.394 8.150 -0.082 0.000 0.497 393 L N -0.452 120.706 121.223 -0.108 0.000 2.453 393 L HA 0.174 nan 4.340 nan 0.000 0.261 393 L C -0.292 176.673 176.870 0.158 0.000 1.179 393 L CA -0.659 54.172 54.840 -0.015 0.000 0.813 393 L CB 0.532 42.546 42.059 -0.076 0.000 1.110 393 L HN 0.054 8.165 8.230 -0.197 0.000 0.466 394 A N -0.270 122.630 122.820 0.133 0.000 2.302 394 A HA 0.140 nan 4.320 nan 0.000 0.295 394 A C -1.079 176.558 177.584 0.088 0.000 1.235 394 A CA -1.051 51.055 52.037 0.116 0.000 0.876 394 A CB 0.760 19.784 19.000 0.038 0.000 1.133 394 A HN 0.428 8.613 8.150 0.058 0.000 0.533 395 H N 5.744 124.779 119.070 -0.058 0.000 3.107 395 H HA -0.205 nan 4.556 nan 0.000 0.301 395 H C -0.668 174.501 175.328 -0.266 0.000 0.981 395 H CA 0.735 56.517 56.048 -0.443 0.000 1.443 395 H CB 0.186 29.788 29.762 -0.267 0.000 1.479 395 H HN 0.489 8.904 8.280 0.225 0.000 0.564 396 S N 7.821 123.195 115.700 -0.542 0.000 2.651 396 S HA 0.197 nan 4.470 nan 0.000 0.246 396 S C -1.563 172.938 174.600 -0.165 0.000 1.039 396 S CA -0.548 57.552 58.200 -0.168 0.000 1.013 396 S CB 1.004 64.236 63.200 0.053 0.000 0.861 396 S HN 0.669 8.399 8.310 -0.776 0.114 0.485 397 G N -2.036 106.551 108.800 -0.355 0.000 2.375 397 G HA2 -0.177 nan 3.960 nan 0.000 0.663 397 G HA3 -0.177 nan 3.960 nan 0.000 0.663 397 G C -2.941 171.860 174.900 -0.166 0.000 1.391 397 G CA -0.572 44.470 45.100 -0.097 0.000 0.949 397 G HN -1.003 6.695 8.290 -0.986 0.000 0.646 398 V N 1.903 121.813 119.914 -0.007 0.000 2.350 398 V HA 0.322 nan 4.120 nan 0.000 0.276 398 V C -0.072 175.970 176.094 -0.086 0.000 1.028 398 V CA -0.374 61.914 62.300 -0.019 0.000 0.860 398 V CB -0.415 31.447 31.823 0.064 0.000 0.990 398 V HN 0.482 8.710 8.190 0.063 0.000 0.453 399 M N 6.760 126.226 119.600 -0.223 0.000 2.357 399 M HA 0.095 nan 4.480 nan 0.000 0.266 399 M C -0.397 175.817 176.300 -0.142 0.000 1.095 399 M CA 2.793 57.828 55.300 -0.443 0.000 1.156 399 M CB 1.767 33.880 32.600 -0.812 0.000 1.365 399 M HN 0.409 8.579 8.290 -0.200 0.000 0.447 400 V N -3.195 116.679 119.914 -0.067 0.000 2.577 400 V HA 0.320 nan 4.120 nan 0.000 0.303 400 V C -0.832 175.273 176.094 0.018 0.000 1.042 400 V CA -2.224 60.080 62.300 0.007 0.000 0.872 400 V CB 1.922 33.766 31.823 0.035 0.000 0.998 400 V HN -0.228 7.915 8.190 -0.078 0.000 0.423 401 S N 6.142 121.855 115.700 0.022 0.000 2.600 401 S HA 0.238 nan 4.470 nan 0.000 0.265 401 S C 1.095 175.717 174.600 0.036 0.000 1.325 401 S CA 0.565 58.781 58.200 0.027 0.000 1.002 401 S CB 1.616 64.825 63.200 0.015 0.000 0.921 401 S HN 0.384 8.704 8.310 0.016 0.000 0.554 402 M N 2.549 122.172 119.600 0.037 0.000 2.267 402 M HA -0.245 nan 4.480 nan 0.000 0.263 402 M C 0.917 177.242 176.300 0.040 0.000 1.063 402 M CA 2.486 57.809 55.300 0.040 0.000 1.090 402 M CB -0.062 32.559 32.600 0.034 0.000 1.392 402 M HN 0.638 8.950 8.290 0.035 0.000 0.422 403 K N -1.594 118.827 120.400 0.034 0.000 2.217 403 K HA -0.131 nan 4.320 nan 0.000 0.202 403 K C -0.033 176.593 176.600 0.043 0.000 1.051 403 K CA 1.234 57.540 56.287 0.032 0.000 0.952 403 K CB 0.536 33.048 32.500 0.020 0.000 0.736 403 K HN -0.338 7.859 8.250 0.030 0.071 0.453 404 E N -1.766 118.464 120.200 0.050 0.000 2.212 404 E HA 0.451 nan 4.350 nan 0.000 0.270 404 E C -2.485 174.175 176.600 0.100 0.000 0.956 404 E CA -3.154 53.284 56.400 0.064 0.000 0.825 404 E CB 0.903 30.632 29.700 0.049 0.000 1.167 404 E HN -0.445 7.774 8.360 0.048 0.170 0.400 405 P HA 0.070 nan 4.420 nan 0.000 0.271 405 P C -1.241 176.221 177.300 0.270 0.000 1.216 405 P CA -0.715 62.529 63.100 0.239 0.000 0.771 405 P CB 0.050 31.853 31.700 0.171 0.000 0.864 406 G N 2.487 111.497 108.800 0.349 0.000 2.990 406 G HA2 0.203 nan 3.960 nan 0.000 0.300 406 G HA3 0.203 nan 3.960 nan 0.000 0.300 406 G C -2.028 173.092 174.900 0.367 0.000 1.498 406 G CA -0.324 44.943 45.100 0.279 0.000 1.074 406 G HN -0.031 8.359 8.290 0.362 0.118 0.542 407 W N 3.852 125.221 121.300 0.115 0.000 3.349 407 W HA 0.388 nan 4.660 nan 0.000 0.645 407 W C -0.331 176.390 176.519 0.336 0.000 2.564 407 W CA -0.494 56.963 57.345 0.188 0.000 1.006 407 W CB 1.214 30.737 29.460 0.105 0.000 2.966 407 W HN 0.473 8.959 8.180 0.509 0.000 0.601 408 Y N -1.980 118.569 120.300 0.414 0.000 2.480 408 Y HA -0.129 nan 4.550 nan 0.000 0.338 408 Y C -0.050 176.042 175.900 0.319 0.000 1.220 408 Y CA -0.513 57.785 58.100 0.331 0.000 1.430 408 Y CB 0.109 38.786 38.460 0.362 0.000 1.311 408 Y HN -0.317 8.720 8.280 0.762 -0.300 0.575 409 S N -0.222 115.704 115.700 0.377 0.000 2.627 409 S HA 0.881 nan 4.470 nan 0.000 0.283 409 S C -1.943 172.850 174.600 0.322 0.000 1.127 409 S CA -1.353 56.989 58.200 0.237 0.000 0.863 409 S CB 3.558 66.826 63.200 0.113 0.000 1.121 409 S HN -0.093 8.388 8.310 0.286 0.000 0.479 410 F N -5.456 114.653 119.950 0.265 0.000 2.693 410 F HA 0.455 nan 4.527 nan 0.000 0.309 410 F C -1.995 173.985 175.800 0.300 0.000 1.129 410 F CA -0.915 57.246 58.000 0.268 0.000 0.948 410 F CB 2.095 41.276 39.000 0.302 0.000 1.315 410 F HN 0.409 8.481 8.300 -0.380 0.000 0.447 411 G N -1.841 107.226 108.800 0.446 0.000 2.461 411 G HA2 0.811 nan 3.960 nan 0.000 0.329 411 G HA3 0.811 nan 3.960 nan 0.000 0.329 411 G C -2.350 172.882 174.900 0.554 0.000 1.170 411 G CA -1.378 43.915 45.100 0.322 0.000 0.935 411 G HN 0.021 8.580 8.290 0.448 0.000 0.492 412 F N -4.983 115.118 119.950 0.252 0.000 2.773 412 F HA 0.467 nan 4.527 nan 0.000 0.314 412 F C -3.264 172.634 175.800 0.163 0.000 1.160 412 F CA -1.687 56.462 58.000 0.249 0.000 0.920 412 F CB 2.017 41.223 39.000 0.343 0.000 1.323 412 F HN 0.092 8.350 8.300 -0.071 0.000 0.457 413 E N -1.145 119.172 120.200 0.195 0.000 2.272 413 E HA 0.643 nan 4.350 nan 0.000 0.269 413 E C -1.363 175.340 176.600 0.172 0.000 0.877 413 E CA -1.531 54.891 56.400 0.038 0.000 0.755 413 E CB 3.612 33.359 29.700 0.078 0.000 1.192 413 E HN 0.024 8.630 8.360 0.409 0.000 0.422 414 I N 3.803 124.425 120.570 0.086 0.000 2.396 414 I HA 0.038 nan 4.170 nan 0.000 0.292 414 I C -0.860 175.297 176.117 0.067 0.000 0.999 414 I CA -0.400 60.979 61.300 0.131 0.000 1.310 414 I CB 1.560 39.624 38.000 0.107 0.000 1.404 414 I HN 0.740 8.924 8.210 -0.044 0.000 0.496 415 K N 6.158 126.598 120.400 0.067 0.000 2.284 415 K HA 0.120 nan 4.320 nan 0.000 0.287 415 K C -1.265 175.349 176.600 0.023 0.000 1.081 415 K CA -1.210 55.100 56.287 0.039 0.000 0.910 415 K CB -0.241 32.281 32.500 0.035 0.000 1.088 415 K HN 0.484 8.783 8.250 0.082 0.000 0.478 416 D N 5.829 126.235 120.400 0.011 0.000 2.478 416 D HA 0.089 nan 4.640 nan 0.000 0.269 416 D C 0.653 176.956 176.300 0.005 0.000 1.232 416 D CA -1.506 52.496 54.000 0.003 0.000 1.059 416 D CB 2.340 43.136 40.800 -0.007 0.000 1.104 416 D HN 0.122 8.497 8.370 0.008 0.000 0.566 417 K N 0.982 121.383 120.400 0.001 0.000 2.044 417 K HA -0.266 nan 4.320 nan 0.000 0.210 417 K C 1.667 178.269 176.600 0.003 0.000 1.049 417 K CA 3.684 59.972 56.287 0.002 0.000 0.927 417 K CB -0.006 32.493 32.500 -0.001 0.000 0.713 417 K HN 0.584 8.833 8.250 -0.001 0.000 0.443 418 K N -5.816 114.585 120.400 0.001 0.000 2.440 418 K HA 0.174 nan 4.320 nan 0.000 0.207 418 K C -1.487 175.115 176.600 0.003 0.000 1.112 418 K CA -0.280 56.007 56.287 0.001 0.000 1.036 418 K CB 1.255 33.754 32.500 -0.002 0.000 0.935 418 K HN 0.134 8.383 8.250 -0.001 0.000 0.564 419 c N -4.935 113.666 118.600 0.003 0.000 3.291 419 c HA 0.535 nan 4.570 nan 0.000 0.316 419 c C -1.924 172.169 174.090 0.005 0.000 1.391 419 c CA -3.152 53.179 56.329 0.005 0.000 1.394 419 c CB 3.233 45.744 42.510 0.001 0.000 1.744 419 c HN -0.575 7.656 8.230 0.002 0.000 0.461 420 D N -0.368 120.036 120.400 0.008 0.000 2.168 420 D HA 0.515 nan 4.640 nan 0.000 0.246 420 D C -0.924 175.362 176.300 -0.023 0.000 1.050 420 D CA -0.927 53.078 54.000 0.007 0.000 0.857 420 D CB 1.652 42.469 40.800 0.029 0.000 1.169 420 D HN -0.195 8.182 8.370 0.012 0.000 0.453 421 V N 3.380 123.263 119.914 -0.052 0.000 2.333 421 V HA 0.354 nan 4.120 nan 0.000 0.274 421 V C -2.114 173.861 176.094 -0.198 0.000 1.028 421 V CA -3.508 58.715 62.300 -0.128 0.000 0.851 421 V CB 1.015 32.757 31.823 -0.134 0.000 1.000 421 V HN 0.768 8.940 8.190 -0.029 0.000 0.456 422 P HA 0.634 nan 4.420 nan 0.000 0.284 422 P C -1.536 175.465 177.300 -0.498 0.000 1.253 422 P CA -1.083 61.854 63.100 -0.272 0.000 0.800 422 P CB 0.781 32.410 31.700 -0.119 0.000 0.961 423 c N 0.547 118.832 118.600 -0.524 0.000 3.090 423 c HA 0.899 nan 4.570 nan 0.000 0.305 423 c C -1.118 172.809 174.090 -0.272 0.000 1.292 423 c CA -1.105 54.896 56.329 -0.546 0.000 1.482 423 c CB 4.548 46.409 42.510 -1.081 0.000 1.897 423 c HN 0.481 8.402 8.230 -0.516 0.000 0.469 424 I N 0.160 120.743 120.570 0.022 0.000 2.498 424 I HA 0.616 nan 4.170 nan 0.000 0.290 424 I C -1.601 174.521 176.117 0.008 0.000 1.032 424 I CA -1.162 60.153 61.300 0.025 0.000 1.073 424 I CB 3.793 41.818 38.000 0.042 0.000 1.251 424 I HN 0.878 9.162 8.210 0.123 0.000 0.426 425 G N 4.925 113.509 108.800 -0.361 0.000 2.417 425 G HA2 0.884 nan 3.960 nan 0.000 0.334 425 G HA3 0.884 nan 3.960 nan 0.000 0.334 425 G C -2.641 171.893 174.900 -0.610 0.000 1.150 425 G CA -2.066 42.695 45.100 -0.566 0.000 0.923 425 G HN 0.663 8.576 8.290 -0.629 0.000 0.485 426 I N -0.237 120.254 120.570 -0.132 0.000 2.478 426 I HA 0.368 nan 4.170 nan 0.000 0.287 426 I C -1.728 174.506 176.117 0.194 0.000 1.042 426 I CA -0.896 60.439 61.300 0.058 0.000 1.067 426 I CB 3.565 41.619 38.000 0.090 0.000 1.233 426 I HN 0.744 8.950 8.210 -0.007 0.000 0.431 427 E N 7.866 128.248 120.200 0.302 0.000 2.257 427 E HA 0.174 nan 4.350 nan 0.000 0.278 427 E C -1.426 175.266 176.600 0.153 0.000 1.049 427 E CA -0.479 56.077 56.400 0.260 0.000 0.876 427 E CB 1.487 31.384 29.700 0.328 0.000 1.035 427 E HN 0.758 9.333 8.360 0.358 0.000 0.419 428 M N 7.512 127.116 119.600 0.007 0.000 2.131 428 M HA 0.231 nan 4.480 nan 0.000 0.345 428 M C -1.545 174.503 176.300 -0.421 0.000 1.060 428 M CA -1.208 54.038 55.300 -0.090 0.000 1.011 428 M CB 0.860 33.437 32.600 -0.038 0.000 1.328 428 M HN 0.652 8.840 8.290 -0.000 0.102 0.396 429 V N 4.001 123.494 119.914 -0.703 0.000 2.614 429 V HA -0.002 nan 4.120 nan 0.000 0.291 429 V C 0.127 175.709 176.094 -0.854 0.000 1.049 429 V CA -0.291 61.365 62.300 -1.072 0.000 1.038 429 V CB 0.176 30.785 31.823 -2.024 0.000 0.980 429 V HN 0.396 8.166 8.190 -0.700 0.000 0.481 430 H N 7.248 126.004 119.070 -0.523 0.000 2.969 430 H HA 0.053 nan 4.556 nan 0.000 0.269 430 H C -1.285 173.687 175.328 -0.593 0.000 1.223 430 H CA -1.244 54.528 56.048 -0.460 0.000 1.400 430 H CB -0.823 28.679 29.762 -0.432 0.000 1.500 430 H HN 0.790 8.479 8.280 -0.801 0.110 0.486 431 D N 4.102 124.323 120.400 -0.298 0.000 2.414 431 D HA 0.093 nan 4.640 nan 0.000 0.232 431 D C -0.319 175.918 176.300 -0.105 0.000 1.070 431 D CA -1.043 52.882 54.000 -0.126 0.000 0.839 431 D CB 0.561 41.434 40.800 0.122 0.000 1.079 431 D HN -0.199 8.062 8.370 -0.183 0.000 0.521 432 G N 4.752 113.439 108.800 -0.188 0.000 3.605 432 G HA2 0.241 nan 3.960 nan 0.000 0.277 432 G HA3 0.241 nan 3.960 nan 0.000 0.277 432 G C -0.937 173.901 174.900 -0.104 0.000 1.093 432 G CA -0.966 44.022 45.100 -0.187 0.000 0.821 432 G HN 0.294 8.461 8.290 -0.205 0.000 0.532 433 G N 0.222 108.999 108.800 -0.039 0.000 2.828 433 G HA2 -0.354 nan 3.960 nan 0.000 0.463 433 G HA3 -0.354 nan 3.960 nan 0.000 0.463 433 G C -0.767 174.087 174.900 -0.076 0.000 1.394 433 G CA -0.574 44.500 45.100 -0.043 0.000 0.862 433 G HN -0.701 7.800 8.290 0.016 -0.201 0.540 434 K N 1.066 121.424 120.400 -0.069 0.000 2.442 434 K HA -0.257 nan 4.320 nan 0.000 0.198 434 K C 0.328 176.913 176.600 -0.026 0.000 1.044 434 K CA 2.004 58.253 56.287 -0.063 0.000 0.948 434 K CB -0.413 32.056 32.500 -0.051 0.000 0.762 434 K HN 0.408 8.625 8.250 -0.054 0.000 0.472 435 K N -6.107 114.280 120.400 -0.022 0.000 2.426 435 K HA 0.045 nan 4.320 nan 0.000 0.193 435 K C 0.450 177.066 176.600 0.026 0.000 1.028 435 K CA 0.235 56.525 56.287 0.006 0.000 1.047 435 K CB -0.018 32.480 32.500 -0.002 0.000 0.821 435 K HN -0.108 8.045 8.250 -0.038 0.074 0.513 436 T N -0.011 114.530 114.554 -0.023 0.000 2.654 436 T HA 0.247 nan 4.350 nan 0.000 0.289 436 T C -1.492 173.151 174.700 -0.094 0.000 1.062 436 T CA -1.168 60.907 62.100 -0.041 0.000 1.041 436 T CB 1.581 70.329 68.868 -0.201 0.000 1.417 436 T HN -0.510 7.644 8.240 -0.058 0.051 0.510 437 W N -0.988 120.086 121.300 -0.377 0.000 2.137 437 W HA 0.072 nan 4.660 nan 0.000 0.344 437 W C -1.461 174.953 176.519 -0.175 0.000 1.286 437 W CA -1.519 55.568 57.345 -0.429 0.000 1.240 437 W CB 0.467 29.379 29.460 -0.914 0.000 1.141 437 W HN 0.125 8.080 8.180 -0.376 0.000 0.579 438 H N 2.966 122.039 119.070 0.004 0.000 2.906 438 H HA 0.218 nan 4.556 nan 0.000 0.324 438 H C -2.097 173.262 175.328 0.052 0.000 0.973 438 H CA -0.227 55.752 56.048 -0.115 0.000 1.321 438 H CB 2.210 31.897 29.762 -0.125 0.000 1.535 438 H HN -0.434 8.000 8.280 0.256 0.000 0.518 439 S N 4.787 120.432 115.700 -0.091 0.000 2.973 439 S HA 0.631 nan 4.470 nan 0.000 0.317 439 S C -2.683 171.816 174.600 -0.168 0.000 1.196 439 S CA -2.183 56.015 58.200 -0.003 0.000 0.894 439 S CB 2.817 66.089 63.200 0.120 0.000 1.292 439 S HN -0.407 7.755 8.310 -0.246 0.000 0.614 440 A N -2.153 120.664 122.820 -0.005 0.000 2.589 440 A HA 0.532 nan 4.320 nan 0.000 0.296 440 A C -2.556 175.049 177.584 0.034 0.000 1.062 440 A CA -0.748 51.175 52.037 -0.189 0.000 0.686 440 A CB 3.079 21.979 19.000 -0.166 0.000 1.282 440 A HN 0.061 8.338 8.150 0.211 0.000 0.404 441 A N 0.441 123.214 122.820 -0.077 0.000 2.269 441 A HA 0.676 nan 4.320 nan 0.000 0.319 441 A C -1.269 176.385 177.584 0.115 0.000 1.110 441 A CA -1.924 50.175 52.037 0.103 0.000 0.847 441 A CB 2.170 21.239 19.000 0.114 0.000 1.161 441 A HN 0.594 8.446 8.150 -0.315 0.109 0.497 442 T N 0.903 115.563 114.554 0.177 0.000 2.840 442 T HA 0.652 nan 4.350 nan 0.000 0.287 442 T C -2.029 172.754 174.700 0.139 0.000 0.991 442 T CA -0.393 61.822 62.100 0.192 0.000 0.964 442 T CB 1.352 70.347 68.868 0.212 0.000 0.954 442 T HN 0.307 8.658 8.240 0.185 0.000 0.438 443 A N 6.914 129.821 122.820 0.145 0.000 2.324 443 A HA 1.153 nan 4.320 nan 0.000 0.330 443 A C -2.460 175.229 177.584 0.175 0.000 1.165 443 A CA -2.430 49.701 52.037 0.157 0.000 0.813 443 A CB 2.408 21.541 19.000 0.222 0.000 1.197 443 A HN 1.036 9.279 8.150 0.154 0.000 0.484 444 I N 0.992 121.645 120.570 0.139 0.000 2.466 444 I HA 0.566 nan 4.170 nan 0.000 0.289 444 I C -2.026 174.104 176.117 0.022 0.000 1.026 444 I CA -0.517 60.882 61.300 0.165 0.000 1.078 444 I CB 3.298 41.403 38.000 0.174 0.000 1.249 444 I HN 0.695 8.941 8.210 0.060 0.000 0.429 445 Y N 5.610 125.953 120.300 0.072 0.000 2.364 445 Y HA 0.586 nan 4.550 nan 0.000 0.340 445 Y C -1.566 174.299 175.900 -0.057 0.000 0.975 445 Y CA -1.277 56.866 58.100 0.072 0.000 1.089 445 Y CB 3.018 41.584 38.460 0.176 0.000 1.192 445 Y HN 0.542 9.034 8.280 0.353 0.000 0.454 446 c N 1.927 120.385 118.600 -0.237 0.000 2.779 446 c HA 0.780 nan 4.570 nan 0.000 0.314 446 c C -1.279 172.157 174.090 -1.090 0.000 1.231 446 c CA -1.623 54.289 56.329 -0.693 0.000 1.652 446 c CB 4.257 46.505 42.510 -0.436 0.000 2.198 446 c HN 0.520 8.630 8.230 -0.199 0.000 0.483 447 L N 1.923 122.189 121.223 -1.594 0.000 2.559 447 L HA -0.017 nan 4.340 nan 0.000 0.274 447 L C -1.394 175.181 176.870 -0.493 0.000 1.205 447 L CA 1.693 55.876 54.840 -1.095 0.000 0.907 447 L CB 0.559 42.161 42.059 -0.761 0.000 1.153 447 L HN 0.323 7.595 8.230 -1.596 0.000 0.490 448 M N 7.446 126.872 119.600 -0.289 0.000 2.272 448 M HA 0.118 nan 4.480 nan 0.000 0.240 448 M C -1.044 175.212 176.300 -0.074 0.000 0.991 448 M CA -0.369 54.834 55.300 -0.161 0.000 1.008 448 M CB 2.226 34.737 32.600 -0.149 0.000 2.221 448 M HN 0.518 8.660 8.290 -0.247 0.000 0.469 449 G N 3.834 112.606 108.800 -0.046 0.000 2.574 449 G HA2 -0.391 nan 3.960 nan 0.000 0.282 449 G HA3 -0.391 nan 3.960 nan 0.000 0.282 449 G C -2.062 172.850 174.900 0.021 0.000 1.257 449 G CA 0.273 45.366 45.100 -0.011 0.000 0.956 449 G HN 0.313 8.568 8.290 -0.057 0.000 0.560 450 S N -0.768 114.951 115.700 0.031 0.000 2.745 450 S HA 0.835 nan 4.470 nan 0.000 0.306 450 S C -0.568 174.067 174.600 0.060 0.000 1.137 450 S CA -1.369 56.865 58.200 0.055 0.000 0.900 450 S CB 2.922 66.148 63.200 0.043 0.000 1.176 450 S HN 0.070 8.392 8.310 0.019 0.000 0.520 451 G N 0.776 109.619 108.800 0.073 0.000 2.516 451 G HA2 -0.206 nan 3.960 nan 0.000 0.220 451 G HA3 -0.206 nan 3.960 nan 0.000 0.220 451 G C -2.207 172.750 174.900 0.095 0.000 1.165 451 G CA -0.389 44.751 45.100 0.067 0.000 1.013 451 G HN 0.090 8.429 8.290 0.082 0.000 0.590 452 Q N -1.277 118.577 119.800 0.090 0.000 2.484 452 Q HA 0.232 nan 4.340 nan 0.000 0.285 452 Q C -1.117 174.954 176.000 0.119 0.000 1.097 452 Q CA -1.832 54.039 55.803 0.114 0.000 0.802 452 Q CB 2.393 31.190 28.738 0.098 0.000 1.444 452 Q HN -0.009 8.304 8.270 0.071 0.000 0.429 453 L N 0.774 122.084 121.223 0.145 0.000 2.462 453 L HA -0.038 nan 4.340 nan 0.000 0.272 453 L C -0.702 176.267 176.870 0.166 0.000 1.166 453 L CA 1.041 55.985 54.840 0.173 0.000 0.880 453 L CB 0.404 42.569 42.059 0.176 0.000 1.142 453 L HN 0.430 8.749 8.230 0.148 0.000 0.473 454 L N 5.364 126.692 121.223 0.175 0.000 2.470 454 L HA 0.180 nan 4.340 nan 0.000 0.219 454 L C 0.107 177.155 176.870 0.295 0.000 1.071 454 L CA 0.617 55.547 54.840 0.150 0.000 0.850 454 L CB 0.973 43.045 42.059 0.022 0.000 1.040 454 L HN 0.322 8.974 8.230 0.184 -0.312 0.475 455 W N -2.332 119.053 121.300 0.142 0.000 3.083 455 W HA 0.159 nan 4.660 nan 0.000 0.333 455 W C -1.983 174.669 176.519 0.221 0.000 1.217 455 W CA -1.504 55.923 57.345 0.137 0.000 1.170 455 W CB 2.954 32.470 29.460 0.093 0.000 1.437 455 W HN -0.471 7.968 8.180 0.433 0.000 0.557 456 D N -0.308 120.220 120.400 0.214 0.000 2.387 456 D HA 0.484 nan 4.640 nan 0.000 0.255 456 D C -1.460 174.864 176.300 0.040 0.000 1.081 456 D CA -1.304 52.775 54.000 0.131 0.000 0.994 456 D CB 2.276 43.086 40.800 0.016 0.000 1.127 456 D HN 0.010 8.380 8.370 -0.000 0.000 0.513 457 T N 0.246 114.867 114.554 0.112 0.000 2.797 457 T HA 0.421 nan 4.350 nan 0.000 0.279 457 T C -1.020 173.686 174.700 0.009 0.000 0.991 457 T CA -0.052 62.090 62.100 0.071 0.000 0.979 457 T CB 1.081 70.075 68.868 0.211 0.000 0.943 457 T HN 0.056 8.381 8.240 0.141 0.000 0.444 458 V N -0.040 119.853 119.914 -0.036 0.000 2.815 458 V HA 0.717 nan 4.120 nan 0.000 0.314 458 V C -0.063 176.041 176.094 0.017 0.000 1.064 458 V CA -2.735 59.556 62.300 -0.016 0.000 0.952 458 V CB 2.049 33.840 31.823 -0.053 0.000 1.020 458 V HN 0.106 8.257 8.190 -0.066 0.000 0.439 459 T N -2.621 111.966 114.554 0.055 0.000 3.014 459 T HA 0.073 nan 4.350 nan 0.000 0.263 459 T C 1.533 176.265 174.700 0.053 0.000 1.078 459 T CA 1.516 63.676 62.100 0.100 0.000 1.135 459 T CB 0.889 69.908 68.868 0.252 0.000 0.895 459 T HN 0.212 8.735 8.240 0.059 -0.248 0.480 460 G N 1.472 110.285 108.800 0.021 0.000 2.155 460 G HA2 -0.374 nan 3.960 nan 0.000 0.257 460 G HA3 -0.374 nan 3.960 nan 0.000 0.257 460 G C -0.839 174.043 174.900 -0.030 0.000 0.983 460 G CA 0.691 45.780 45.100 -0.017 0.000 0.676 460 G HN 0.220 8.527 8.290 0.028 0.000 0.528 461 V N 0.365 120.273 119.914 -0.010 0.000 2.439 461 V HA 0.093 nan 4.120 nan 0.000 0.282 461 V C -0.642 175.424 176.094 -0.046 0.000 1.039 461 V CA -0.058 62.201 62.300 -0.068 0.000 0.913 461 V CB 0.496 32.184 31.823 -0.225 0.000 0.983 461 V HN -0.653 7.533 8.190 0.041 0.029 0.460 462 D N 5.903 126.284 120.400 -0.033 0.000 2.373 462 D HA 0.144 nan 4.640 nan 0.000 0.227 462 D C 0.502 176.810 176.300 0.015 0.000 1.091 462 D CA -1.145 52.847 54.000 -0.014 0.000 0.840 462 D CB 1.132 41.929 40.800 -0.005 0.000 1.060 462 D HN 0.206 8.555 8.370 -0.036 0.000 0.502 463 M N 4.773 124.363 119.600 -0.015 0.000 2.632 463 M HA -0.232 nan 4.480 nan 0.000 0.256 463 M C 0.495 176.842 176.300 0.078 0.000 1.080 463 M CA 1.852 57.161 55.300 0.014 0.000 1.084 463 M CB -0.150 32.276 32.600 -0.289 0.000 1.439 463 M HN 0.576 8.833 8.290 -0.055 0.000 0.509 464 A N -1.546 121.301 122.820 0.045 0.000 2.178 464 A HA 0.018 nan 4.320 nan 0.000 0.211 464 A C -0.054 177.581 177.584 0.086 0.000 1.157 464 A CA 0.531 52.603 52.037 0.057 0.000 0.780 464 A CB 0.132 19.147 19.000 0.025 0.000 0.828 464 A HN -0.360 8.050 8.150 0.024 -0.245 0.476 465 L N 0.000 121.276 121.223 0.088 0.000 2.949 465 L HA 0.000 nan 4.340 nan 0.000 0.249 465 L CA 0.000 54.881 54.840 0.068 0.000 0.813 465 L CB 0.000 42.083 42.059 0.039 0.000 0.961 465 L HN 0.000 8.236 8.230 0.093 0.050 0.502