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 1nsb_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 0.000 176.512 176.600 -0.146 0.000 1.382 76 E CA 0.000 56.325 56.400 -0.125 0.000 0.976 76 E CB 0.000 29.594 29.700 -0.176 0.000 0.812 77 P HA 0.014 nan 4.420 nan 0.000 0.268 77 P C -1.008 176.152 177.300 -0.234 0.000 1.208 77 P CA -0.378 62.636 63.100 -0.144 0.000 0.777 77 P CB 0.664 32.296 31.700 -0.113 0.000 0.875 78 E N -0.144 119.972 120.200 -0.139 0.000 2.283 78 E HA 0.028 nan 4.350 nan 0.000 0.267 78 E C -0.846 175.720 176.600 -0.058 0.000 1.045 78 E CA -0.888 55.425 56.400 -0.145 0.000 0.884 78 E CB 1.114 30.812 29.700 -0.002 0.000 1.106 78 E HN 0.028 8.344 8.360 -0.072 0.000 0.408 79 W N -1.210 120.123 121.300 0.055 0.000 2.181 79 W HA -0.114 nan 4.660 nan 0.000 0.335 79 W C 0.578 177.096 176.519 -0.002 0.000 1.310 79 W CA -0.435 56.902 57.345 -0.014 0.000 1.226 79 W CB 0.574 29.990 29.460 -0.074 0.000 1.155 79 W HN -0.156 8.081 8.180 0.095 0.000 0.565 80 T N 3.818 118.489 114.554 0.196 0.000 2.919 80 T HA 0.122 nan 4.350 nan 0.000 0.302 80 T C -1.395 173.149 174.700 -0.261 0.000 1.031 80 T CA 1.350 63.487 62.100 0.061 0.000 1.127 80 T CB 0.884 69.796 68.868 0.075 0.000 0.952 80 T HN 0.283 8.581 8.240 0.268 0.102 0.540 81 Y N 1.244 121.526 120.300 -0.031 0.000 2.553 81 Y HA 0.359 nan 4.550 nan 0.000 0.347 81 Y C -2.107 173.677 175.900 -0.193 0.000 1.019 81 Y CA -3.661 54.342 58.100 -0.162 0.000 1.032 81 Y CB 2.393 40.776 38.460 -0.127 0.000 1.284 81 Y HN -0.038 8.342 8.280 0.166 0.000 0.466 82 P HA 0.142 nan 4.420 nan 0.000 0.268 82 P C -1.547 175.730 177.300 -0.039 0.000 1.205 82 P CA -0.048 62.966 63.100 -0.143 0.000 0.771 82 P CB 0.462 31.980 31.700 -0.303 0.000 0.858 83 R N 0.645 121.145 120.500 0.001 0.000 2.960 83 R HA 0.401 nan 4.340 nan 0.000 0.249 83 R C -0.718 175.589 176.300 0.012 0.000 1.192 83 R CA -2.473 53.630 56.100 0.005 0.000 1.035 83 R CB 3.184 33.494 30.300 0.016 0.000 1.234 83 R HN 0.235 8.822 8.270 0.015 -0.308 0.493 84 L N 0.103 121.333 121.223 0.012 0.000 2.483 84 L HA 0.105 nan 4.340 nan 0.000 0.275 84 L C 0.404 177.291 176.870 0.029 0.000 1.220 84 L CA 0.563 55.417 54.840 0.024 0.000 0.833 84 L CB 0.261 42.331 42.059 0.019 0.000 1.102 84 L HN 0.335 8.568 8.230 0.005 0.000 0.490 85 S N 1.318 117.044 115.700 0.043 0.000 2.592 85 S HA 0.074 nan 4.470 nan 0.000 0.271 85 S C -0.023 174.588 174.600 0.019 0.000 1.326 85 S CA 0.566 58.785 58.200 0.033 0.000 1.024 85 S CB 0.580 63.815 63.200 0.058 0.000 0.921 85 S HN 0.202 8.434 8.310 0.059 0.114 0.527 86 c N 2.709 121.306 118.600 -0.005 0.000 2.703 86 c HA -0.121 nan 4.570 nan 0.000 0.411 86 c C -0.610 173.477 174.090 -0.005 0.000 1.290 86 c CA 0.640 56.961 56.329 -0.013 0.000 2.054 86 c CB -0.387 42.101 42.510 -0.037 0.000 2.732 86 c HN 0.336 8.449 8.230 -0.019 0.106 0.650 87 Q N 2.688 122.488 119.800 0.000 0.000 2.337 87 Q HA -0.116 nan 4.340 nan 0.000 0.270 87 Q C -0.175 175.828 176.000 0.006 0.000 1.002 87 Q CA 0.612 56.423 55.803 0.014 0.000 0.888 87 Q CB 0.475 29.219 28.738 0.010 0.000 1.222 87 Q HN 0.295 8.563 8.270 -0.003 0.000 0.400 88 G N 0.227 109.049 108.800 0.036 0.000 2.340 88 G HA2 0.020 nan 3.960 nan 0.000 0.300 88 G HA3 0.020 nan 3.960 nan 0.000 0.300 88 G C -1.997 172.971 174.900 0.114 0.000 1.488 88 G CA 0.171 45.291 45.100 0.034 0.000 0.878 88 G HN -0.283 8.047 8.290 0.065 0.000 0.618 89 S N -3.104 112.682 115.700 0.144 0.000 2.893 89 S HA 0.116 nan 4.470 nan 0.000 0.258 89 S C -0.652 174.174 174.600 0.377 0.000 1.034 89 S CA -0.571 57.796 58.200 0.280 0.000 1.167 89 S CB 2.087 65.402 63.200 0.191 0.000 1.137 89 S HN 0.505 8.768 8.310 0.101 0.107 0.650 90 T N 1.154 115.858 114.554 0.250 0.000 2.868 90 T HA 0.272 nan 4.350 nan 0.000 0.306 90 T C -2.025 172.769 174.700 0.156 0.000 1.224 90 T CA -0.558 61.715 62.100 0.289 0.000 1.012 90 T CB 1.939 70.935 68.868 0.213 0.000 1.221 90 T HN -0.822 7.494 8.240 0.127 0.000 0.499 91 F N 1.796 121.649 119.950 -0.162 0.000 2.378 91 F HA 0.738 nan 4.527 nan 0.000 0.325 91 F C -0.600 175.220 175.800 0.033 0.000 1.097 91 F CA -1.345 56.559 58.000 -0.159 0.000 1.079 91 F CB 1.509 40.392 39.000 -0.194 0.000 1.240 91 F HN 0.401 8.913 8.300 0.352 0.000 0.519 92 Q N -2.282 117.632 119.800 0.191 0.000 2.418 92 Q HA 0.299 nan 4.340 nan 0.000 0.282 92 Q C -1.796 174.171 176.000 -0.055 0.000 1.044 92 Q CA -2.102 53.791 55.803 0.151 0.000 0.813 92 Q CB 4.765 33.521 28.738 0.030 0.000 1.428 92 Q HN 0.505 8.806 8.270 0.052 0.000 0.402 93 K N 2.474 122.728 120.400 -0.244 0.000 2.436 93 K HA -0.213 nan 4.320 nan 0.000 0.282 93 K C -0.909 175.476 176.600 -0.358 0.000 1.044 93 K CA 1.178 57.015 56.287 -0.749 0.000 1.028 93 K CB 0.196 32.520 32.500 -0.294 0.000 0.919 93 K HN 0.533 8.811 8.250 0.047 0.000 0.474 94 A N 8.133 130.723 122.820 -0.384 0.000 1.983 94 A HA 0.251 nan 4.320 nan 0.000 0.207 94 A C -1.031 176.490 177.584 -0.104 0.000 1.412 94 A CA 0.561 52.492 52.037 -0.177 0.000 0.750 94 A CB 1.607 20.526 19.000 -0.134 0.000 1.047 94 A HN 0.719 8.514 8.150 -0.592 0.000 0.504 95 L N -0.846 120.322 121.223 -0.093 0.000 2.513 95 L HA 0.290 nan 4.340 nan 0.000 0.261 95 L C -2.532 174.335 176.870 -0.004 0.000 0.945 95 L CA -0.281 54.545 54.840 -0.024 0.000 0.848 95 L CB 3.918 45.981 42.059 0.007 0.000 1.334 95 L HN -0.604 7.541 8.230 -0.141 0.000 0.407 96 L N 3.062 124.298 121.223 0.022 0.000 2.307 96 L HA 0.649 nan 4.340 nan 0.000 0.284 96 L C -1.123 175.790 176.870 0.071 0.000 1.023 96 L CA -0.709 54.161 54.840 0.049 0.000 0.810 96 L CB 1.337 43.422 42.059 0.044 0.000 1.231 96 L HN 0.167 8.410 8.230 0.021 0.000 0.423 97 I N 8.085 128.715 120.570 0.100 0.000 2.371 97 I HA 0.217 nan 4.170 nan 0.000 0.282 97 I C -1.659 174.542 176.117 0.140 0.000 1.031 97 I CA -1.278 60.104 61.300 0.136 0.000 1.180 97 I CB -0.719 37.407 38.000 0.209 0.000 1.336 97 I HN 0.703 8.976 8.210 0.105 0.000 0.467 98 S N 7.375 123.137 115.700 0.104 0.000 2.406 98 S HA 0.490 nan 4.470 nan 0.000 0.224 98 S C -1.162 173.439 174.600 0.003 0.000 1.426 98 S CA -4.643 53.608 58.200 0.084 0.000 1.179 98 S CB 0.526 63.748 63.200 0.037 0.000 1.042 98 S HN 0.493 8.864 8.310 0.100 0.000 0.479 99 P HA -0.081 nan 4.420 nan 0.000 0.221 99 P C 0.619 177.750 177.300 -0.282 0.000 1.150 99 P CA 1.553 64.591 63.100 -0.103 0.000 0.800 99 P CB 0.204 31.738 31.700 -0.277 0.000 0.787 100 H N -4.441 114.584 119.070 -0.076 0.000 2.547 100 H HA 0.053 nan 4.556 nan 0.000 0.266 100 H C 1.571 176.726 175.328 -0.289 0.000 0.988 100 H CA 1.602 57.525 56.048 -0.208 0.000 1.147 100 H CB -0.798 28.811 29.762 -0.255 0.000 1.365 100 H HN 0.175 8.395 8.280 -0.028 0.043 0.589 101 R N -0.540 119.726 120.500 -0.391 0.000 2.328 101 R HA -0.198 nan 4.340 nan 0.000 0.207 101 R C 0.252 176.114 176.300 -0.729 0.000 1.056 101 R CA 2.482 58.217 56.100 -0.609 0.000 1.016 101 R CB -0.341 29.452 30.300 -0.846 0.000 0.872 101 R HN -0.361 7.617 8.270 -0.392 0.057 0.471 102 F N -4.641 115.263 119.950 -0.078 0.000 2.735 102 F HA 0.262 nan 4.527 nan 0.000 0.308 102 F C -0.570 175.169 175.800 -0.103 0.000 1.112 102 F CA -1.469 56.481 58.000 -0.083 0.000 1.235 102 F CB 0.094 39.037 39.000 -0.094 0.000 1.027 102 F HN -0.653 7.365 8.300 -0.347 0.073 0.528 103 G N -1.214 107.568 108.800 -0.031 0.000 3.523 103 G HA2 0.065 nan 3.960 nan 0.000 0.270 103 G HA3 0.065 nan 3.960 nan 0.000 0.270 103 G C -1.013 173.845 174.900 -0.069 0.000 1.134 103 G CA -0.471 44.582 45.100 -0.079 0.000 0.825 103 G HN -0.719 7.445 8.290 -0.087 0.074 0.534 104 E N 0.146 120.334 120.200 -0.019 0.000 2.398 104 E HA -0.113 nan 4.350 nan 0.000 0.263 104 E C 0.336 176.942 176.600 0.010 0.000 1.046 104 E CA -0.164 56.236 56.400 -0.000 0.000 0.908 104 E CB 0.824 30.531 29.700 0.012 0.000 0.963 104 E HN -0.348 7.943 8.360 0.003 0.070 0.431 105 A N 5.865 128.699 122.820 0.024 0.000 1.972 105 A HA -0.204 nan 4.320 nan 0.000 0.219 105 A C 0.277 177.873 177.584 0.020 0.000 1.169 105 A CA 2.356 54.410 52.037 0.028 0.000 0.635 105 A CB -0.650 18.375 19.000 0.042 0.000 0.810 105 A HN 0.336 8.391 8.150 0.033 0.115 0.446 106 R N -2.760 117.752 120.500 0.020 0.000 2.334 106 R HA 0.064 nan 4.340 nan 0.000 0.220 106 R C 0.023 176.333 176.300 0.017 0.000 0.917 106 R CA -0.277 55.833 56.100 0.016 0.000 1.073 106 R CB -0.122 30.188 30.300 0.017 0.000 1.056 106 R HN 0.030 8.303 8.270 0.022 0.010 0.506 107 G N 0.863 109.676 108.800 0.021 0.000 2.568 107 G HA2 0.048 nan 3.960 nan 0.000 0.293 107 G HA3 0.048 nan 3.960 nan 0.000 0.293 107 G C -1.455 173.454 174.900 0.016 0.000 1.347 107 G CA -0.812 44.305 45.100 0.028 0.000 1.039 107 G HN -0.439 7.685 8.290 0.019 0.177 0.523 108 N N -1.681 117.025 118.700 0.011 0.000 2.365 108 N HA 0.129 nan 4.740 nan 0.000 0.257 108 N C -1.291 174.209 175.510 -0.018 0.000 1.287 108 N CA 0.088 53.135 53.050 -0.006 0.000 0.882 108 N CB 1.161 39.639 38.487 -0.014 0.000 1.250 108 N HN 0.148 8.540 8.380 0.020 0.000 0.507 109 S N 0.879 116.574 115.700 -0.007 0.000 2.704 109 S HA 0.224 nan 4.470 nan 0.000 0.305 109 S C -1.513 173.074 174.600 -0.021 0.000 1.107 109 S CA -0.718 57.466 58.200 -0.027 0.000 0.993 109 S CB 1.933 65.125 63.200 -0.014 0.000 1.110 109 S HN -0.424 7.893 8.310 0.012 0.000 0.534 110 A N 2.066 124.865 122.820 -0.036 0.000 3.258 110 A HA 0.460 nan 4.320 nan 0.000 0.318 110 A C -2.951 174.603 177.584 -0.050 0.000 0.990 110 A CA -2.907 49.114 52.037 -0.026 0.000 0.885 110 A CB 0.202 19.197 19.000 -0.010 0.000 1.090 110 A HN 0.458 8.575 8.150 -0.054 0.000 0.479 111 P HA 0.076 nan 4.420 nan 0.000 0.268 111 P C -1.255 175.986 177.300 -0.099 0.000 1.204 111 P CA -0.135 62.862 63.100 -0.171 0.000 0.768 111 P CB 0.289 31.765 31.700 -0.373 0.000 0.842 112 L N 2.388 123.566 121.223 -0.076 0.000 2.417 112 L HA 0.186 nan 4.340 nan 0.000 0.268 112 L C 0.038 176.973 176.870 0.108 0.000 1.158 112 L CA -0.445 54.401 54.840 0.010 0.000 0.819 112 L CB 0.715 42.739 42.059 -0.058 0.000 1.112 112 L HN -0.093 8.066 8.230 -0.118 0.000 0.458 113 I N 1.393 122.077 120.570 0.190 0.000 2.396 113 I HA -0.010 nan 4.170 nan 0.000 0.289 113 I C -0.833 175.422 176.117 0.230 0.000 1.056 113 I CA 1.015 62.471 61.300 0.260 0.000 1.365 113 I CB -0.739 37.432 38.000 0.285 0.000 1.407 113 I HN 0.222 8.542 8.210 0.183 0.000 0.509 114 I N 2.473 123.170 120.570 0.211 0.000 3.174 114 I HA 0.981 nan 4.170 nan 0.000 0.313 114 I C -1.777 174.419 176.117 0.133 0.000 1.155 114 I CA -2.252 59.131 61.300 0.138 0.000 0.977 114 I CB 4.405 42.428 38.000 0.038 0.000 1.248 114 I HN 0.588 8.948 8.210 0.250 0.000 0.453 115 R N -1.276 119.286 120.500 0.103 0.000 2.728 115 R HA 0.239 nan 4.340 nan 0.000 0.274 115 R C -1.711 174.646 176.300 0.095 0.000 1.030 115 R CA -0.489 55.651 56.100 0.067 0.000 0.876 115 R CB 4.479 34.828 30.300 0.082 0.000 1.259 115 R HN -0.113 8.212 8.270 0.092 0.000 0.468 116 E N -2.395 117.861 120.200 0.093 0.000 2.230 116 E HA -0.298 nan 4.350 nan 0.000 0.206 116 E C -2.359 174.393 176.600 0.252 0.000 1.309 116 E CA 0.729 57.250 56.400 0.201 0.000 0.697 116 E CB -2.088 27.754 29.700 0.237 0.000 1.146 116 E HN -0.063 8.637 8.360 0.021 -0.327 0.363 117 P HA 0.057 nan 4.420 nan 0.000 0.272 117 P C -1.681 175.625 177.300 0.010 0.000 1.223 117 P CA 0.004 63.206 63.100 0.170 0.000 0.784 117 P CB 0.838 32.714 31.700 0.293 0.000 0.923 118 F N -5.002 114.770 119.950 -0.297 0.000 2.713 118 F HA 0.432 nan 4.527 nan 0.000 0.311 118 F C -2.417 173.189 175.800 -0.323 0.000 1.141 118 F CA -2.312 55.129 58.000 -0.932 0.000 0.939 118 F CB 2.233 40.837 39.000 -0.660 0.000 1.325 118 F HN 0.125 8.254 8.300 -0.285 0.000 0.453 119 I N -0.246 120.192 120.570 -0.220 0.000 2.509 119 I HA 0.679 nan 4.170 nan 0.000 0.293 119 I C -1.490 174.701 176.117 0.123 0.000 1.020 119 I CA -1.353 59.829 61.300 -0.197 0.000 1.088 119 I CB 3.564 41.058 38.000 -0.844 0.000 1.267 119 I HN 0.257 8.309 8.210 -0.263 0.000 0.430 120 A N 5.099 128.131 122.820 0.353 0.000 2.449 120 A HA 0.608 nan 4.320 nan 0.000 0.302 120 A C -2.549 175.366 177.584 0.552 0.000 1.048 120 A CA -1.487 50.854 52.037 0.507 0.000 0.708 120 A CB 3.525 22.923 19.000 0.663 0.000 1.274 120 A HN 0.085 8.450 8.150 0.359 0.000 0.410 121 c N 0.641 119.497 118.600 0.426 0.000 2.561 121 c HA 0.946 nan 4.570 nan 0.000 0.319 121 c C 0.138 174.285 174.090 0.095 0.000 1.198 121 c CA -1.570 54.949 56.329 0.317 0.000 1.665 121 c CB 2.953 45.618 42.510 0.258 0.000 2.258 121 c HN 0.676 9.133 8.230 0.379 0.000 0.493 122 G N 0.242 108.977 108.800 -0.109 0.000 2.795 122 G HA2 0.510 nan 3.960 nan 0.000 0.267 122 G HA3 0.510 nan 3.960 nan 0.000 0.267 122 G C -2.317 172.448 174.900 -0.223 0.000 1.362 122 G CA -1.184 43.628 45.100 -0.480 0.000 1.048 122 G HN 0.656 8.973 8.290 0.045 0.000 0.547 123 P HA -0.071 nan 4.420 nan 0.000 0.217 123 P C -0.201 177.069 177.300 -0.050 0.000 1.150 123 P CA 1.895 64.947 63.100 -0.081 0.000 0.832 123 P CB 0.321 31.986 31.700 -0.058 0.000 0.787 124 K N -5.462 114.899 120.400 -0.065 0.000 2.399 124 K HA 0.152 nan 4.320 nan 0.000 0.196 124 K C -0.067 176.542 176.600 0.014 0.000 1.103 124 K CA -0.077 56.201 56.287 -0.016 0.000 0.986 124 K CB 0.890 33.384 32.500 -0.010 0.000 0.952 124 K HN -0.073 8.076 8.250 -0.128 0.025 0.541 125 E N -1.842 118.379 120.200 0.035 0.000 2.433 125 E HA 0.177 nan 4.350 nan 0.000 0.278 125 E C -2.231 174.465 176.600 0.161 0.000 0.976 125 E CA -1.111 55.340 56.400 0.086 0.000 0.793 125 E CB 2.543 32.298 29.700 0.092 0.000 1.311 125 E HN -0.507 7.852 8.360 -0.002 0.000 0.460 126 c N 0.047 118.730 118.600 0.139 0.000 2.435 126 c HA 0.760 nan 4.570 nan 0.000 0.333 126 c C -0.686 173.433 174.090 0.049 0.000 1.202 126 c CA -1.289 55.139 56.329 0.164 0.000 1.830 126 c CB 1.835 44.413 42.510 0.113 0.000 2.326 126 c HN 0.647 8.930 8.230 0.088 0.000 0.507 127 K N 1.282 121.670 120.400 -0.021 0.000 2.259 127 K HA 0.672 nan 4.320 nan 0.000 0.249 127 K C -1.950 174.410 176.600 -0.400 0.000 0.942 127 K CA -1.398 54.655 56.287 -0.390 0.000 0.816 127 K CB 3.219 35.154 32.500 -0.943 0.000 1.155 127 K HN 0.629 8.988 8.250 0.181 0.000 0.428 128 H N 3.198 121.927 119.070 -0.568 0.000 2.541 128 H HA 0.530 nan 4.556 nan 0.000 0.316 128 H C -1.210 173.739 175.328 -0.632 0.000 1.043 128 H CA -2.459 53.317 56.048 -0.454 0.000 1.232 128 H CB 1.930 31.528 29.762 -0.272 0.000 1.406 128 H HN 0.495 8.537 8.280 -0.397 0.000 0.469 129 F N 6.695 126.365 119.950 -0.467 0.000 2.440 129 F HA 0.600 nan 4.527 nan 0.000 0.328 129 F C -1.465 174.007 175.800 -0.547 0.000 1.070 129 F CA -1.174 56.417 58.000 -0.681 0.000 1.011 129 F CB 2.809 41.022 39.000 -1.312 0.000 1.226 129 F HN 0.777 8.927 8.300 -0.250 0.000 0.491 130 A N -1.129 121.582 122.820 -0.181 0.000 2.564 130 A HA 0.679 nan 4.320 nan 0.000 0.291 130 A C -2.733 174.845 177.584 -0.011 0.000 1.102 130 A CA -0.172 51.819 52.037 -0.075 0.000 0.660 130 A CB 3.251 22.178 19.000 -0.122 0.000 1.283 130 A HN 0.408 8.480 8.150 -0.130 0.000 0.430 131 L N -1.454 119.795 121.223 0.043 0.000 2.280 131 L HA 0.675 nan 4.340 nan 0.000 0.287 131 L C -0.495 176.375 176.870 -0.001 0.000 1.023 131 L CA -1.490 53.374 54.840 0.040 0.000 0.819 131 L CB 0.534 42.647 42.059 0.090 0.000 1.212 131 L HN 0.281 8.554 8.230 0.072 0.000 0.420 132 T N 6.557 121.091 114.554 -0.032 0.000 2.909 132 T HA 0.358 nan 4.350 nan 0.000 0.286 132 T C 0.419 175.148 174.700 0.048 0.000 1.002 132 T CA -1.346 60.753 62.100 -0.002 0.000 1.074 132 T CB 1.484 70.280 68.868 -0.119 0.000 0.984 132 T HN 1.053 9.268 8.240 -0.042 0.000 0.495 133 H N 8.053 127.236 119.070 0.187 0.000 2.543 133 H HA -0.038 nan 4.556 nan 0.000 0.269 133 H C -0.124 175.399 175.328 0.324 0.000 1.005 133 H CA 0.360 56.554 56.048 0.244 0.000 1.146 133 H CB 0.180 30.075 29.762 0.223 0.000 1.353 133 H HN 0.475 8.938 8.280 0.305 0.000 0.595 134 Y N -2.939 117.503 120.300 0.236 0.000 3.233 134 Y HA -0.563 nan 4.550 nan 0.000 0.201 134 Y C -1.637 174.363 175.900 0.167 0.000 1.486 134 Y CA 0.233 58.464 58.100 0.218 0.000 1.326 134 Y CB -1.910 36.648 38.460 0.163 0.000 1.460 134 Y HN -0.305 8.056 8.280 0.256 0.073 0.512 135 A N -2.332 120.688 122.820 0.333 0.000 2.604 135 A HA 0.242 nan 4.320 nan 0.000 0.295 135 A C -3.058 174.686 177.584 0.266 0.000 1.067 135 A CA -0.519 51.717 52.037 0.332 0.000 0.683 135 A CB 3.987 23.225 19.000 0.397 0.000 1.281 135 A HN -0.549 7.763 8.150 0.271 0.000 0.407 136 A N -0.129 122.837 122.820 0.244 0.000 2.346 136 A HA 0.827 nan 4.320 nan 0.000 0.313 136 A C -1.474 176.208 177.584 0.164 0.000 1.140 136 A CA -1.613 50.519 52.037 0.159 0.000 0.826 136 A CB 2.655 21.716 19.000 0.102 0.000 1.332 136 A HN 0.190 8.506 8.150 0.277 0.000 0.457 137 Q N -0.577 119.247 119.800 0.041 0.000 2.331 137 Q HA 0.428 nan 4.340 nan 0.000 0.267 137 Q C -2.681 173.290 176.000 -0.048 0.000 1.006 137 Q CA -3.644 52.123 55.803 -0.059 0.000 0.818 137 Q CB 2.639 31.081 28.738 -0.495 0.000 1.276 137 Q HN -0.154 8.119 8.270 0.006 0.000 0.450 138 P HA 0.368 nan 4.420 nan 0.000 0.274 138 P C -1.560 175.791 177.300 0.086 0.000 1.237 138 P CA -0.622 62.523 63.100 0.075 0.000 0.793 138 P CB 0.784 32.511 31.700 0.046 0.000 0.977 139 G N -0.837 107.991 108.800 0.047 0.000 2.428 139 G HA2 0.033 nan 3.960 nan 0.000 0.304 139 G HA3 0.033 nan 3.960 nan 0.000 0.304 139 G C -1.393 173.237 174.900 -0.450 0.000 1.303 139 G CA 0.299 45.346 45.100 -0.088 0.000 0.825 139 G HN -0.650 7.686 8.290 0.077 0.000 0.484 140 G N -1.801 106.702 108.800 -0.495 0.000 3.441 140 G HA2 0.254 nan 3.960 nan 0.000 0.263 140 G HA3 0.254 nan 3.960 nan 0.000 0.263 140 G C -0.174 174.297 174.900 -0.716 0.000 1.014 140 G CA 0.195 44.883 45.100 -0.687 0.000 0.833 140 G HN 0.013 8.100 8.290 -0.338 0.000 0.514 141 Y N -0.781 119.431 120.300 -0.147 0.000 2.781 141 Y HA 0.240 nan 4.550 nan 0.000 0.326 141 Y C -0.327 175.678 175.900 0.176 0.000 1.019 141 Y CA -1.825 56.287 58.100 0.020 0.000 1.372 141 Y CB -0.836 37.677 38.460 0.088 0.000 1.260 141 Y HN -0.116 8.112 8.280 -0.086 0.000 0.546 142 Y N -2.894 117.503 120.300 0.163 0.000 2.373 142 Y HA -0.210 nan 4.550 nan 0.000 0.293 142 Y C 0.351 176.308 175.900 0.096 0.000 1.129 142 Y CA -0.290 57.905 58.100 0.158 0.000 1.226 142 Y CB -0.593 37.973 38.460 0.177 0.000 1.000 142 Y HN -0.229 7.922 8.280 -0.124 0.055 0.549 143 N N 0.087 118.922 118.700 0.225 0.000 2.454 143 N HA -0.280 nan 4.740 nan 0.000 0.260 143 N C 0.782 176.352 175.510 0.099 0.000 1.218 143 N CA 1.248 54.377 53.050 0.131 0.000 0.904 143 N CB -0.060 38.486 38.487 0.098 0.000 1.065 143 N HN -0.395 8.069 8.380 0.190 0.030 0.462 144 G N 2.815 111.635 108.800 0.034 0.000 2.175 144 G HA2 -0.372 nan 3.960 nan 0.000 0.244 144 G HA3 -0.372 nan 3.960 nan 0.000 0.244 144 G C 0.901 175.699 174.900 -0.169 0.000 0.982 144 G CA 0.563 45.656 45.100 -0.011 0.000 0.641 144 G HN 0.695 8.999 8.290 0.024 0.000 0.527 145 T N -3.315 111.099 114.554 -0.233 0.000 3.160 145 T HA -0.154 nan 4.350 nan 0.000 0.257 145 T C 0.959 175.412 174.700 -0.411 0.000 1.147 145 T CA 1.334 63.066 62.100 -0.613 0.000 1.064 145 T CB -0.454 68.296 68.868 -0.196 0.000 0.949 145 T HN -0.135 8.022 8.240 -0.068 0.041 0.526 146 R N 0.443 120.762 120.500 -0.303 0.000 2.246 146 R HA -0.099 nan 4.340 nan 0.000 0.199 146 R C -0.022 176.166 176.300 -0.186 0.000 0.984 146 R CA 0.702 56.529 56.100 -0.455 0.000 1.015 146 R CB 0.124 30.118 30.300 -0.511 0.000 0.930 146 R HN 0.092 8.193 8.270 -0.226 0.034 0.475 147 E N -1.016 119.144 120.200 -0.068 0.000 2.409 147 E HA -0.149 nan 4.350 nan 0.000 0.257 147 E C -0.397 176.306 176.600 0.173 0.000 1.150 147 E CA 0.403 56.827 56.400 0.039 0.000 0.942 147 E CB 0.472 30.213 29.700 0.069 0.000 0.979 147 E HN -0.583 7.557 8.360 -0.114 0.151 0.447 148 D N -1.314 119.145 120.400 0.098 0.000 2.379 148 D HA 0.112 nan 4.640 nan 0.000 0.218 148 D C -0.571 175.746 176.300 0.029 0.000 1.006 148 D CA 1.618 55.678 54.000 0.100 0.000 0.893 148 D CB 0.880 41.708 40.800 0.046 0.000 1.019 148 D HN 0.376 8.764 8.370 0.030 0.000 0.503 149 R N -1.061 119.375 120.500 -0.106 0.000 2.532 149 R HA 0.271 nan 4.340 nan 0.000 0.297 149 R C -1.881 174.332 176.300 -0.147 0.000 0.984 149 R CA -0.389 55.505 56.100 -0.344 0.000 0.884 149 R CB 2.333 32.052 30.300 -0.967 0.000 1.182 149 R HN -0.191 8.029 8.270 -0.084 0.000 0.442 150 N N 3.010 121.741 118.700 0.051 0.000 3.308 150 N HA 0.049 nan 4.740 nan 0.000 0.276 150 N C -0.825 174.823 175.510 0.230 0.000 1.533 150 N CA -0.885 52.238 53.050 0.122 0.000 0.878 150 N CB 0.887 39.460 38.487 0.144 0.000 1.566 150 N HN 0.055 8.554 8.380 0.198 0.000 0.546 151 K N -2.071 118.429 120.400 0.166 0.000 2.486 151 K HA -0.053 nan 4.320 nan 0.000 0.194 151 K C -0.306 176.383 176.600 0.148 0.000 1.033 151 K CA 1.825 58.201 56.287 0.148 0.000 1.004 151 K CB -0.315 32.240 32.500 0.092 0.000 0.798 151 K HN 0.297 8.622 8.250 0.126 0.000 0.495 152 L N -2.230 119.102 121.223 0.182 0.000 2.672 152 L HA 0.091 nan 4.340 nan 0.000 0.236 152 L C -0.448 176.674 176.870 0.419 0.000 1.092 152 L CA -0.578 54.400 54.840 0.230 0.000 0.887 152 L CB 1.327 43.463 42.059 0.127 0.000 1.168 152 L HN -0.214 8.377 8.230 0.193 -0.245 0.502 153 R N -0.410 120.257 120.500 0.279 0.000 2.570 153 R HA -0.054 nan 4.340 nan 0.000 0.277 153 R C -0.785 175.636 176.300 0.202 0.000 1.039 153 R CA 0.782 57.007 56.100 0.209 0.000 1.065 153 R CB -0.212 30.145 30.300 0.095 0.000 0.964 153 R HN -0.587 8.012 8.270 0.233 -0.189 0.428 154 H N 1.724 120.873 119.070 0.131 0.000 2.821 154 H HA 0.565 nan 4.556 nan 0.000 0.373 154 H C -1.806 173.517 175.328 -0.008 0.000 1.165 154 H CA -0.792 55.320 56.048 0.107 0.000 1.154 154 H CB 3.996 33.887 29.762 0.216 0.000 1.765 154 H HN 0.145 8.559 8.280 0.224 0.000 0.549 155 L N 2.785 124.051 121.223 0.073 0.000 2.313 155 L HA 0.509 nan 4.340 nan 0.000 0.282 155 L C -1.908 174.979 176.870 0.029 0.000 1.092 155 L CA -0.247 54.638 54.840 0.075 0.000 0.831 155 L CB 0.909 43.044 42.059 0.127 0.000 1.159 155 L HN 0.289 8.552 8.230 0.055 0.000 0.442 156 I N 1.889 122.403 120.570 -0.093 0.000 3.002 156 I HA 1.000 nan 4.170 nan 0.000 0.310 156 I C -2.306 173.700 176.117 -0.185 0.000 1.087 156 I CA -2.663 58.468 61.300 -0.281 0.000 1.017 156 I CB 3.720 41.316 38.000 -0.674 0.000 1.226 156 I HN 0.355 8.520 8.210 -0.074 0.000 0.443 157 S N -0.643 114.879 115.700 -0.295 0.000 2.588 157 S HA 0.754 nan 4.470 nan 0.000 0.275 157 S C -1.544 172.801 174.600 -0.425 0.000 1.130 157 S CA -1.503 56.400 58.200 -0.495 0.000 0.855 157 S CB 3.121 65.856 63.200 -0.774 0.000 1.116 157 S HN -0.040 8.063 8.310 -0.346 0.000 0.472 158 V N -6.667 112.992 119.914 -0.426 0.000 3.040 158 V HA 0.478 nan 4.120 nan 0.000 0.312 158 V C -1.516 174.417 176.094 -0.268 0.000 1.115 158 V CA -3.101 59.022 62.300 -0.294 0.000 0.998 158 V CB 3.169 34.851 31.823 -0.235 0.000 1.042 158 V HN 0.234 8.127 8.190 -0.496 0.000 0.433 159 K N 0.685 120.975 120.400 -0.183 0.000 2.436 159 K HA 0.021 nan 4.320 nan 0.000 0.275 159 K C -0.499 176.050 176.600 -0.085 0.000 0.999 159 K CA 0.745 56.953 56.287 -0.131 0.000 0.980 159 K CB 0.916 33.367 32.500 -0.082 0.000 0.919 159 K HN 0.299 8.454 8.250 -0.159 0.000 0.484 160 L N 5.065 126.253 121.223 -0.058 0.000 2.513 160 L HA -0.235 nan 4.340 nan 0.000 0.272 160 L C -0.325 176.545 176.870 -0.001 0.000 1.187 160 L CA 1.667 56.497 54.840 -0.018 0.000 0.895 160 L CB -0.030 42.007 42.059 -0.037 0.000 1.147 160 L HN 0.028 8.221 8.230 -0.061 0.000 0.483 161 G N 5.440 114.253 108.800 0.022 0.000 2.253 161 G HA2 -0.222 nan 3.960 nan 0.000 0.209 161 G HA3 -0.222 nan 3.960 nan 0.000 0.209 161 G C -0.489 174.417 174.900 0.009 0.000 0.997 161 G CA -0.298 44.813 45.100 0.018 0.000 0.640 161 G HN 0.530 8.855 8.290 0.057 0.000 0.496 162 K N 0.735 121.129 120.400 -0.009 0.000 2.087 162 K HA 0.347 nan 4.320 nan 0.000 0.255 162 K C -0.605 175.977 176.600 -0.030 0.000 0.988 162 K CA -1.639 54.626 56.287 -0.037 0.000 0.915 162 K CB 1.026 33.483 32.500 -0.073 0.000 1.043 162 K HN -0.218 7.962 8.250 -0.015 0.061 0.457 163 I N 1.630 122.170 120.570 -0.050 0.000 2.371 163 I HA 0.140 nan 4.170 nan 0.000 0.290 163 I C -1.372 174.684 176.117 -0.102 0.000 1.028 163 I CA -4.365 56.910 61.300 -0.041 0.000 1.345 163 I CB -0.831 37.147 38.000 -0.037 0.000 1.407 163 I HN 0.127 8.293 8.210 -0.074 0.000 0.501 164 P HA 0.145 nan 4.420 nan 0.000 0.273 164 P C -1.542 175.659 177.300 -0.164 0.000 1.428 164 P CA -0.736 62.245 63.100 -0.199 0.000 0.995 164 P CB -0.467 31.057 31.700 -0.294 0.000 1.286 165 T N 3.930 118.402 114.554 -0.137 0.000 2.927 165 T HA 0.459 nan 4.350 nan 0.000 0.286 165 T C 1.294 175.951 174.700 -0.072 0.000 1.040 165 T CA -1.638 60.401 62.100 -0.101 0.000 1.010 165 T CB 3.353 72.158 68.868 -0.106 0.000 1.177 165 T HN -0.548 7.608 8.240 -0.141 0.000 0.546 166 V N 2.788 122.684 119.914 -0.029 0.000 2.332 166 V HA -0.368 nan 4.120 nan 0.000 0.248 166 V C 1.209 177.309 176.094 0.009 0.000 1.055 166 V CA 3.767 66.079 62.300 0.021 0.000 1.038 166 V CB -0.302 31.532 31.823 0.019 0.000 0.651 166 V HN 0.476 8.647 8.190 -0.032 0.000 0.450 167 E N -0.997 119.186 120.200 -0.030 0.000 2.158 167 E HA -0.237 nan 4.350 nan 0.000 0.191 167 E C 1.208 177.775 176.600 -0.056 0.000 0.982 167 E CA 2.121 58.497 56.400 -0.041 0.000 0.823 167 E CB -0.383 29.287 29.700 -0.051 0.000 0.766 167 E HN 0.136 8.472 8.360 -0.040 0.000 0.468 168 N N -1.531 117.122 118.700 -0.078 0.000 2.331 168 N HA -0.095 nan 4.740 nan 0.000 0.180 168 N C 0.088 175.523 175.510 -0.124 0.000 1.019 168 N CA 1.333 54.323 53.050 -0.100 0.000 0.881 168 N CB 0.467 38.885 38.487 -0.116 0.000 0.972 168 N HN 0.029 8.361 8.380 -0.080 0.000 0.435 169 S N -1.938 113.686 115.700 -0.127 0.000 2.601 169 S HA 0.105 nan 4.470 nan 0.000 0.271 169 S C -0.940 173.568 174.600 -0.154 0.000 1.305 169 S CA 0.846 58.924 58.200 -0.203 0.000 1.022 169 S CB 1.146 64.167 63.200 -0.298 0.000 0.940 169 S HN -0.674 7.550 8.310 -0.094 0.030 0.525 170 I N 2.487 122.889 120.570 -0.280 0.000 2.377 170 I HA 0.130 nan 4.170 nan 0.000 0.293 170 I C -1.081 174.776 176.117 -0.433 0.000 0.987 170 I CA -1.101 60.012 61.300 -0.312 0.000 1.185 170 I CB 1.706 39.378 38.000 -0.547 0.000 1.341 170 I HN 0.292 8.286 8.210 -0.361 0.000 0.455 171 F N 6.752 126.456 119.950 -0.409 0.000 2.350 171 F HA 0.197 nan 4.527 nan 0.000 0.365 171 F C -0.689 174.942 175.800 -0.282 0.000 1.122 171 F CA -0.519 57.313 58.000 -0.281 0.000 1.139 171 F CB -0.295 38.578 39.000 -0.211 0.000 1.220 171 F HN 0.185 8.566 8.300 0.135 0.000 0.499 172 H N 2.047 121.109 119.070 -0.013 0.000 2.384 172 H HA 0.025 nan 4.556 nan 0.000 0.300 172 H C -0.389 174.977 175.328 0.064 0.000 1.057 172 H CA 2.584 58.565 56.048 -0.112 0.000 1.370 172 H CB 1.975 31.523 29.762 -0.356 0.000 1.417 172 H HN 0.693 8.896 8.280 -0.129 0.000 0.527 173 M N -6.937 112.825 119.600 0.269 0.000 2.918 173 M HA 0.211 nan 4.480 nan 0.000 0.272 173 M C -3.091 173.183 176.300 -0.044 0.000 1.082 173 M CA -0.489 54.947 55.300 0.227 0.000 0.799 173 M CB 2.651 35.392 32.600 0.234 0.000 1.659 173 M HN -0.750 7.697 8.290 0.262 0.000 0.533 174 A N -0.789 121.850 122.820 -0.302 0.000 2.409 174 A HA 0.616 nan 4.320 nan 0.000 0.267 174 A C -1.666 175.718 177.584 -0.333 0.000 1.127 174 A CA -0.150 51.471 52.037 -0.694 0.000 0.795 174 A CB -0.151 18.602 19.000 -0.411 0.000 1.061 174 A HN 0.459 8.553 8.150 -0.092 0.000 0.502 175 A N 4.565 127.212 122.820 -0.288 0.000 2.547 175 A HA 0.531 nan 4.320 nan 0.000 0.298 175 A C -2.067 175.437 177.584 -0.134 0.000 1.062 175 A CA 0.325 52.201 52.037 -0.267 0.000 0.748 175 A CB 2.287 21.201 19.000 -0.143 0.000 1.288 175 A HN 0.512 8.383 8.150 -0.276 0.114 0.396 176 W N -2.207 119.090 121.300 -0.005 0.000 3.005 176 W HA 0.374 nan 4.660 nan 0.000 0.374 176 W C -1.681 174.857 176.519 0.031 0.000 1.076 176 W CA -2.164 55.184 57.345 0.004 0.000 1.794 176 W CB 1.170 30.634 29.460 0.007 0.000 1.113 176 W HN 0.669 8.294 8.180 -0.925 0.000 0.584 177 S N -0.815 114.969 115.700 0.141 0.000 2.541 177 S HA 0.433 nan 4.470 nan 0.000 0.271 177 S C -2.009 172.604 174.600 0.022 0.000 1.133 177 S CA -0.249 58.041 58.200 0.151 0.000 0.876 177 S CB 1.856 65.175 63.200 0.198 0.000 1.105 177 S HN -0.839 7.387 8.310 -0.140 0.000 0.470 178 G N 1.610 110.435 108.800 0.042 0.000 2.682 178 G HA2 0.643 nan 3.960 nan 0.000 0.290 178 G HA3 0.643 nan 3.960 nan 0.000 0.290 178 G C -3.322 171.486 174.900 -0.153 0.000 1.425 178 G CA -0.511 44.598 45.100 0.015 0.000 0.807 178 G HN 0.338 9.008 8.290 0.065 -0.340 0.482 179 S N -2.461 113.148 115.700 -0.153 0.000 2.587 179 S HA 0.469 nan 4.470 nan 0.000 0.269 179 S C -2.605 171.910 174.600 -0.143 0.000 1.154 179 S CA -0.961 57.003 58.200 -0.393 0.000 0.824 179 S CB 1.916 64.931 63.200 -0.308 0.000 1.118 179 S HN 0.249 8.544 8.310 -0.026 0.000 0.462 180 A N -0.525 122.202 122.820 -0.154 0.000 2.608 180 A HA 0.884 nan 4.320 nan 0.000 0.292 180 A C -2.226 175.378 177.584 0.033 0.000 1.066 180 A CA -0.460 51.487 52.037 -0.151 0.000 0.676 180 A CB 3.073 21.692 19.000 -0.636 0.000 1.277 180 A HN -0.122 7.897 8.150 -0.219 0.000 0.413 181 c N -3.275 115.390 118.600 0.107 0.000 3.307 181 c HA 0.633 nan 4.570 nan 0.000 0.333 181 c C -2.095 171.960 174.090 -0.059 0.000 1.291 181 c CA -1.352 55.052 56.329 0.124 0.000 1.273 181 c CB 3.435 45.976 42.510 0.053 0.000 1.580 181 c HN 0.444 8.702 8.230 0.046 0.000 0.481 182 H N 2.235 121.085 119.070 -0.367 0.000 2.459 182 H HA 0.446 nan 4.556 nan 0.000 0.332 182 H C -0.958 174.215 175.328 -0.259 0.000 1.094 182 H CA -0.099 55.556 56.048 -0.656 0.000 1.224 182 H CB 2.989 32.052 29.762 -1.165 0.000 1.449 182 H HN 0.561 8.801 8.280 -0.066 0.000 0.484 183 D N 2.583 122.737 120.400 -0.410 0.000 2.340 183 D HA 0.055 nan 4.640 nan 0.000 0.217 183 D C 0.530 176.924 176.300 0.156 0.000 1.081 183 D CA -1.229 52.752 54.000 -0.031 0.000 0.842 183 D CB 0.813 41.661 40.800 0.080 0.000 0.934 183 D HN -0.187 7.786 8.370 -0.661 0.000 0.511 184 G N -1.140 107.712 108.800 0.087 0.000 2.284 184 G HA2 -0.369 nan 3.960 nan 0.000 0.216 184 G HA3 -0.369 nan 3.960 nan 0.000 0.216 184 G C 0.157 175.103 174.900 0.078 0.000 1.009 184 G CA 0.875 46.085 45.100 0.183 0.000 0.625 184 G HN -0.153 7.965 8.290 -0.180 0.064 0.501 185 R N -0.765 119.663 120.500 -0.119 0.000 2.276 185 R HA 0.200 nan 4.340 nan 0.000 0.195 185 R C -0.777 175.373 176.300 -0.250 0.000 0.908 185 R CA 0.842 56.839 56.100 -0.172 0.000 1.083 185 R CB 2.736 32.871 30.300 -0.274 0.000 1.182 185 R HN 0.241 8.717 8.270 -0.088 -0.259 0.608 186 E N -1.003 118.881 120.200 -0.526 0.000 2.430 186 E HA 0.195 nan 4.350 nan 0.000 0.279 186 E C -2.700 173.435 176.600 -0.776 0.000 1.003 186 E CA -1.283 54.772 56.400 -0.574 0.000 0.801 186 E CB 3.036 32.284 29.700 -0.753 0.000 1.313 186 E HN -0.199 8.211 8.360 -0.480 -0.338 0.459 187 W N -0.075 120.969 121.300 -0.427 0.000 2.287 187 W HA 0.288 nan 4.660 nan 0.000 0.313 187 W C -0.278 175.902 176.519 -0.564 0.000 1.267 187 W CA -0.470 56.597 57.345 -0.463 0.000 1.201 187 W CB 1.026 30.152 29.460 -0.556 0.000 1.196 187 W HN 0.100 8.233 8.180 -0.078 0.000 0.536 188 T N 6.290 120.734 114.554 -0.183 0.000 2.767 188 T HA 0.617 nan 4.350 nan 0.000 0.284 188 T C -1.340 173.195 174.700 -0.274 0.000 0.973 188 T CA 0.110 62.167 62.100 -0.071 0.000 0.996 188 T CB 0.561 69.451 68.868 0.036 0.000 0.927 188 T HN 0.627 8.785 8.240 -0.138 0.000 0.456 189 Y N 5.153 125.489 120.300 0.059 0.000 2.409 189 Y HA 0.818 nan 4.550 nan 0.000 0.339 189 Y C -1.277 174.604 175.900 -0.031 0.000 1.033 189 Y CA -2.069 56.007 58.100 -0.040 0.000 1.094 189 Y CB 2.821 41.224 38.460 -0.095 0.000 1.210 189 Y HN 0.649 9.014 8.280 0.142 0.000 0.456 190 I N 0.402 121.021 120.570 0.081 0.000 2.533 190 I HA 0.640 nan 4.170 nan 0.000 0.290 190 I C -1.358 174.761 176.117 0.003 0.000 1.056 190 I CA -1.183 60.127 61.300 0.018 0.000 1.057 190 I CB 2.973 40.944 38.000 -0.048 0.000 1.240 190 I HN 0.633 8.883 8.210 0.066 0.000 0.423 191 G N 3.848 112.632 108.800 -0.027 0.000 2.706 191 G HA2 0.605 nan 3.960 nan 0.000 0.297 191 G HA3 0.605 nan 3.960 nan 0.000 0.297 191 G C -3.009 171.774 174.900 -0.195 0.000 1.403 191 G CA -0.712 44.334 45.100 -0.090 0.000 0.954 191 G HN 0.190 8.469 8.290 -0.018 0.000 0.500 192 V N 1.595 121.294 119.914 -0.358 0.000 2.495 192 V HA 0.795 nan 4.120 nan 0.000 0.298 192 V C -1.678 173.769 176.094 -1.077 0.000 1.031 192 V CA -1.997 59.952 62.300 -0.586 0.000 0.871 192 V CB 1.308 32.770 31.823 -0.602 0.000 0.988 192 V HN 0.290 8.276 8.190 -0.341 0.000 0.432 193 D N 3.833 123.728 120.400 -0.841 0.000 2.895 193 D HA 0.330 nan 4.640 nan 0.000 0.320 193 D C -1.569 174.599 176.300 -0.219 0.000 1.249 193 D CA -2.195 51.253 54.000 -0.920 0.000 0.997 193 D CB 3.372 43.876 40.800 -0.494 0.000 1.430 193 D HN 0.178 8.247 8.370 -0.503 0.000 0.558 194 G N -4.697 104.180 108.800 0.128 0.000 2.555 194 G HA2 -0.226 nan 3.960 nan 0.000 0.686 194 G HA3 -0.226 nan 3.960 nan 0.000 0.686 194 G C -2.783 172.333 174.900 0.360 0.000 1.275 194 G CA -0.970 44.247 45.100 0.195 0.000 0.871 194 G HN 0.010 8.417 8.290 0.195 0.000 0.603 195 P HA 0.107 nan 4.420 nan 0.000 0.269 195 P C -0.213 177.187 177.300 0.166 0.000 1.217 195 P CA -1.074 62.122 63.100 0.161 0.000 0.783 195 P CB 0.457 32.214 31.700 0.095 0.000 0.898 196 D N 2.073 122.510 120.400 0.061 0.000 2.123 196 D HA -0.246 nan 4.640 nan 0.000 0.196 196 D C 1.961 178.288 176.300 0.044 0.000 0.992 196 D CA 3.798 57.804 54.000 0.010 0.000 0.833 196 D CB -0.586 40.175 40.800 -0.066 0.000 0.954 196 D HN 0.436 8.820 8.370 0.024 0.000 0.455 197 S N -4.834 110.890 115.700 0.039 0.000 2.603 197 S HA -0.025 nan 4.470 nan 0.000 0.220 197 S C -0.039 174.590 174.600 0.049 0.000 0.967 197 S CA 1.682 59.902 58.200 0.033 0.000 0.920 197 S CB -0.168 63.044 63.200 0.021 0.000 0.773 197 S HN -0.126 8.204 8.310 0.033 0.000 0.529 198 N N 0.860 119.610 118.700 0.082 0.000 2.622 198 N HA 0.108 nan 4.740 nan 0.000 0.293 198 N C -1.698 173.889 175.510 0.128 0.000 1.788 198 N CA 0.075 53.182 53.050 0.094 0.000 0.860 198 N CB 1.777 40.313 38.487 0.082 0.000 1.388 198 N HN -0.569 7.680 8.380 0.104 0.193 0.496 199 A N -1.391 121.522 122.820 0.154 0.000 2.280 199 A HA 0.514 nan 4.320 nan 0.000 0.268 199 A C -2.162 175.455 177.584 0.056 0.000 1.111 199 A CA -0.434 51.701 52.037 0.162 0.000 0.814 199 A CB 1.894 21.084 19.000 0.317 0.000 1.093 199 A HN -0.042 8.195 8.150 0.146 0.000 0.498 200 L N -2.461 118.733 121.223 -0.049 0.000 2.470 200 L HA 0.561 nan 4.340 nan 0.000 0.268 200 L C -2.024 174.761 176.870 -0.143 0.000 0.964 200 L CA -0.632 54.141 54.840 -0.112 0.000 0.839 200 L CB 4.339 46.318 42.059 -0.133 0.000 1.276 200 L HN -0.021 8.143 8.230 -0.109 0.000 0.403 201 I N 5.583 126.105 120.570 -0.081 0.000 2.471 201 I HA 0.125 nan 4.170 nan 0.000 0.286 201 I C -1.040 175.041 176.117 -0.059 0.000 1.079 201 I CA -0.230 61.031 61.300 -0.065 0.000 1.398 201 I CB -0.592 37.411 38.000 0.005 0.000 1.403 201 I HN 0.465 8.652 8.210 -0.040 0.000 0.530 202 K N 7.127 127.499 120.400 -0.047 0.000 2.345 202 K HA 0.720 nan 4.320 nan 0.000 0.255 202 K C -1.544 175.092 176.600 0.058 0.000 0.934 202 K CA -1.177 55.121 56.287 0.019 0.000 0.801 202 K CB 2.763 35.288 32.500 0.042 0.000 1.137 202 K HN 0.729 8.939 8.250 -0.067 0.000 0.424 203 I N 3.707 124.327 120.570 0.084 0.000 2.493 203 I HA 0.603 nan 4.170 nan 0.000 0.298 203 I C -1.867 174.321 176.117 0.118 0.000 0.998 203 I CA -1.350 59.998 61.300 0.081 0.000 1.137 203 I CB 3.119 41.141 38.000 0.037 0.000 1.310 203 I HN 0.794 9.060 8.210 0.093 0.000 0.445 204 K N 4.531 125.004 120.400 0.123 0.000 2.443 204 K HA 0.585 nan 4.320 nan 0.000 0.252 204 K C -2.248 174.488 176.600 0.227 0.000 0.933 204 K CA -1.385 54.947 56.287 0.076 0.000 0.792 204 K CB 4.181 36.667 32.500 -0.023 0.000 1.185 204 K HN 0.312 8.649 8.250 0.145 0.000 0.425 205 Y N 7.471 127.793 120.300 0.036 0.000 2.402 205 Y HA 0.289 nan 4.550 nan 0.000 0.332 205 Y C -0.486 175.473 175.900 0.098 0.000 0.960 205 Y CA -1.479 56.650 58.100 0.048 0.000 1.228 205 Y CB 1.261 39.735 38.460 0.022 0.000 1.120 205 Y HN 0.667 9.063 8.280 0.193 0.000 0.491 206 G N 9.737 118.515 108.800 -0.037 0.000 2.565 206 G HA2 -0.534 nan 3.960 nan 0.000 0.295 206 G HA3 -0.534 nan 3.960 nan 0.000 0.295 206 G C -0.705 174.279 174.900 0.140 0.000 1.165 206 G CA 1.385 46.528 45.100 0.072 0.000 0.977 206 G HN 0.667 8.919 8.290 -0.064 0.000 0.546 207 E N 2.952 123.180 120.200 0.047 0.000 2.385 207 E HA -0.002 nan 4.350 nan 0.000 0.194 207 E C -0.419 176.130 176.600 -0.085 0.000 1.013 207 E CA 0.354 56.749 56.400 -0.009 0.000 0.866 207 E CB 0.445 30.159 29.700 0.024 0.000 0.832 207 E HN 0.255 8.637 8.360 0.037 0.000 0.500 208 A N 0.047 122.850 122.820 -0.029 0.000 2.309 208 A HA 0.245 nan 4.320 nan 0.000 0.298 208 A C -1.538 175.985 177.584 -0.101 0.000 1.165 208 A CA -0.508 51.525 52.037 -0.007 0.000 0.821 208 A CB 1.280 20.336 19.000 0.094 0.000 1.102 208 A HN -0.486 7.638 8.150 0.026 0.042 0.500 209 Y N 2.343 122.709 120.300 0.111 0.000 2.436 209 Y HA -0.060 nan 4.550 nan 0.000 0.343 209 Y C 0.263 176.214 175.900 0.086 0.000 1.008 209 Y CA 0.783 58.940 58.100 0.096 0.000 1.241 209 Y CB -0.003 38.497 38.460 0.067 0.000 1.153 209 Y HN 0.403 8.834 8.280 0.251 0.000 0.521 210 T N 0.396 115.050 114.554 0.166 0.000 2.969 210 T HA 0.176 nan 4.350 nan 0.000 0.250 210 T C -0.919 173.832 174.700 0.086 0.000 1.021 210 T CA -0.635 61.532 62.100 0.112 0.000 1.003 210 T CB 1.926 70.841 68.868 0.079 0.000 1.040 210 T HN 0.403 8.732 8.240 0.149 0.000 0.492 211 D N -0.256 120.198 120.400 0.090 0.000 2.694 211 D HA 0.201 nan 4.640 nan 0.000 0.260 211 D C -2.517 173.816 176.300 0.054 0.000 1.250 211 D CA 0.043 54.080 54.000 0.062 0.000 0.763 211 D CB 3.172 43.993 40.800 0.035 0.000 1.311 211 D HN -0.763 7.677 8.370 0.116 0.000 0.420 212 T N -3.091 111.484 114.554 0.036 0.000 2.883 212 T HA 0.685 nan 4.350 nan 0.000 0.296 212 T C -2.080 172.639 174.700 0.032 0.000 1.117 212 T CA -1.945 60.148 62.100 -0.013 0.000 1.006 212 T CB 2.888 71.689 68.868 -0.110 0.000 1.191 212 T HN -0.079 8.190 8.240 0.048 0.000 0.508 213 Y N -0.505 119.684 120.300 -0.185 0.000 2.433 213 Y HA 0.313 nan 4.550 nan 0.000 0.337 213 Y C -1.481 174.296 175.900 -0.205 0.000 1.026 213 Y CA -1.108 56.920 58.100 -0.120 0.000 1.037 213 Y CB 3.821 42.253 38.460 -0.047 0.000 1.245 213 Y HN 0.218 8.486 8.280 -0.021 0.000 0.443 214 H N 6.189 125.102 119.070 -0.262 0.000 2.547 214 H HA 0.311 nan 4.556 nan 0.000 0.362 214 H C -0.559 174.759 175.328 -0.016 0.000 1.181 214 H CA 0.340 56.318 56.048 -0.117 0.000 1.376 214 H CB 1.426 31.101 29.762 -0.146 0.000 1.488 214 H HN 0.253 8.216 8.280 -0.527 0.000 0.583 215 S N -0.140 115.650 115.700 0.151 0.000 2.544 215 S HA -0.150 nan 4.470 nan 0.000 0.290 215 S C 0.323 174.973 174.600 0.084 0.000 1.276 215 S CA 0.993 59.234 58.200 0.068 0.000 1.075 215 S CB 0.377 63.601 63.200 0.039 0.000 0.849 215 S HN -0.005 8.406 8.310 0.167 0.000 0.494 216 Y N 2.772 123.130 120.300 0.097 0.000 2.458 216 Y HA 0.240 nan 4.550 nan 0.000 0.254 216 Y C -0.906 175.040 175.900 0.077 0.000 1.120 216 Y CA -1.259 56.891 58.100 0.084 0.000 1.282 216 Y CB -0.057 38.483 38.460 0.133 0.000 1.109 216 Y HN 0.104 8.280 8.280 -0.510 -0.202 0.526 217 A N -2.217 120.459 122.820 -0.241 0.000 2.585 217 A HA 0.236 nan 4.320 nan 0.000 0.266 217 A C -1.168 176.368 177.584 -0.081 0.000 1.178 217 A CA -0.706 51.269 52.037 -0.104 0.000 0.966 217 A CB 1.087 19.992 19.000 -0.158 0.000 1.170 217 A HN -0.083 8.156 8.150 -0.502 -0.390 0.558 218 N N -3.092 115.560 118.700 -0.079 0.000 2.727 218 N HA -0.412 nan 4.740 nan 0.000 0.249 218 N C -1.571 173.921 175.510 -0.029 0.000 1.048 218 N CA 1.055 54.088 53.050 -0.029 0.000 0.714 218 N CB -0.724 37.762 38.487 -0.001 0.000 0.959 218 N HN -0.003 8.414 8.380 -0.110 -0.103 0.544 219 N N -1.559 117.109 118.700 -0.054 0.000 2.827 219 N HA 0.134 nan 4.740 nan 0.000 0.240 219 N C -1.382 174.106 175.510 -0.036 0.000 1.352 219 N CA -0.098 52.931 53.050 -0.036 0.000 0.760 219 N CB 1.081 39.547 38.487 -0.034 0.000 1.426 219 N HN -0.163 8.512 8.380 -0.098 -0.354 0.561 220 I N 1.078 121.650 120.570 0.003 0.000 7.474 220 I HA -0.531 nan 4.170 nan 0.000 0.126 220 I C -1.429 174.746 176.117 0.097 0.000 1.805 220 I CA 0.805 62.139 61.300 0.057 0.000 2.128 220 I CB -1.514 36.467 38.000 -0.031 0.000 3.592 220 I HN 0.530 8.644 8.210 0.011 0.102 0.196 221 L N 3.903 125.191 121.223 0.108 0.000 2.525 221 L HA -0.022 nan 4.340 nan 0.000 0.278 221 L C -1.087 175.879 176.870 0.161 0.000 1.218 221 L CA 1.143 56.015 54.840 0.053 0.000 0.878 221 L CB 0.282 42.368 42.059 0.044 0.000 1.127 221 L HN -0.116 8.189 8.230 0.125 0.000 0.492 222 R N 2.042 122.600 120.500 0.096 0.000 2.747 222 R HA 0.557 nan 4.340 nan 0.000 0.272 222 R C -2.328 173.986 176.300 0.025 0.000 1.032 222 R CA -1.406 54.774 56.100 0.134 0.000 0.896 222 R CB 2.740 33.158 30.300 0.197 0.000 1.253 222 R HN 0.201 8.492 8.270 0.036 0.000 0.461 223 T N -2.774 111.782 114.554 0.004 0.000 2.565 223 T HA 0.508 nan 4.350 nan 0.000 0.266 223 T C 0.435 175.090 174.700 -0.076 0.000 0.905 223 T CA -1.413 60.643 62.100 -0.073 0.000 1.122 223 T CB 1.973 70.777 68.868 -0.106 0.000 1.437 223 T HN 0.262 8.531 8.240 0.050 0.000 0.506 224 Q N 0.566 120.284 119.800 -0.137 0.000 2.119 224 Q HA -0.214 nan 4.340 nan 0.000 0.201 224 Q C 0.755 176.678 176.000 -0.129 0.000 0.972 224 Q CA 2.936 58.654 55.803 -0.142 0.000 0.847 224 Q CB 0.571 29.195 28.738 -0.190 0.000 0.903 224 Q HN 0.443 8.611 8.270 -0.170 0.000 0.433 225 E N -5.478 114.603 120.200 -0.198 0.000 2.868 225 E HA -0.341 nan 4.350 nan 0.000 0.278 225 E C -1.365 174.973 176.600 -0.436 0.000 1.009 225 E CA 1.013 57.307 56.400 -0.176 0.000 0.856 225 E CB -2.671 27.126 29.700 0.161 0.000 1.428 225 E HN 0.047 8.279 8.360 -0.213 0.000 0.423 226 S N -5.687 109.542 115.700 -0.784 0.000 2.636 226 S HA 0.210 nan 4.470 nan 0.000 0.268 226 S C -1.937 172.214 174.600 -0.748 0.000 1.159 226 S CA -1.777 55.966 58.200 -0.762 0.000 0.815 226 S CB 3.157 66.285 63.200 -0.120 0.000 1.130 226 S HN -0.871 6.979 8.310 -0.717 0.030 0.471 227 A N -0.731 121.922 122.820 -0.278 0.000 2.540 227 A HA 0.070 nan 4.320 nan 0.000 0.239 227 A C -0.126 177.418 177.584 -0.067 0.000 1.061 227 A CA 0.305 52.306 52.037 -0.060 0.000 0.758 227 A CB 0.098 19.208 19.000 0.183 0.000 0.991 227 A HN 0.365 8.486 8.150 -0.048 0.000 0.502 228 c N 0.243 118.809 118.600 -0.057 0.000 2.574 228 c HA 0.380 nan 4.570 nan 0.000 0.335 228 c C -0.320 173.784 174.090 0.023 0.000 1.493 228 c CA -2.561 53.750 56.329 -0.030 0.000 2.217 228 c CB 0.440 42.923 42.510 -0.045 0.000 2.056 228 c HN -0.248 7.950 8.230 -0.052 0.000 0.607 229 N N -0.805 117.915 118.700 0.034 0.000 2.397 229 N HA 0.309 nan 4.740 nan 0.000 0.291 229 N C -1.801 173.826 175.510 0.194 0.000 1.065 229 N CA 0.126 53.214 53.050 0.062 0.000 0.884 229 N CB 4.096 42.428 38.487 -0.257 0.000 1.551 229 N HN -0.227 8.181 8.380 0.047 0.000 0.487 230 c N 2.908 121.661 118.600 0.256 0.000 2.456 230 c HA 0.874 nan 4.570 nan 0.000 0.325 230 c C -1.535 172.632 174.090 0.127 0.000 1.217 230 c CA -2.150 54.271 56.329 0.154 0.000 1.687 230 c CB 1.622 44.133 42.510 0.002 0.000 2.270 230 c HN 0.745 9.137 8.230 0.269 0.000 0.499 231 I N 1.840 122.386 120.570 -0.041 0.000 2.548 231 I HA 0.322 nan 4.170 nan 0.000 0.287 231 I C -0.481 175.300 176.117 -0.559 0.000 1.103 231 I CA -0.865 60.215 61.300 -0.367 0.000 1.049 231 I CB 3.835 41.707 38.000 -0.214 0.000 1.232 231 I HN 0.685 8.878 8.210 -0.029 0.000 0.429 232 G N 9.015 117.201 108.800 -1.023 0.000 2.233 232 G HA2 -0.470 nan 3.960 nan 0.000 0.270 232 G HA3 -0.470 nan 3.960 nan 0.000 0.270 232 G C -0.120 174.144 174.900 -1.062 0.000 1.011 232 G CA 1.167 45.829 45.100 -0.729 0.000 0.762 232 G HN 0.875 8.279 8.290 -1.477 0.000 0.511 233 G N -3.058 105.027 108.800 -1.192 0.000 2.176 233 G HA2 -0.561 nan 3.960 nan 0.000 0.253 233 G HA3 -0.561 nan 3.960 nan 0.000 0.253 233 G C -1.528 172.878 174.900 -0.823 0.000 0.979 233 G CA -0.102 43.999 45.100 -1.666 0.000 0.641 233 G HN 0.100 7.913 8.290 -0.741 0.033 0.530 234 D N 0.613 120.697 120.400 -0.527 0.000 2.233 234 D HA 0.534 nan 4.640 nan 0.000 0.240 234 D C -1.399 174.714 176.300 -0.311 0.000 1.074 234 D CA -0.775 52.983 54.000 -0.404 0.000 0.838 234 D CB 1.690 42.295 40.800 -0.325 0.000 1.124 234 D HN -0.263 7.657 8.370 -0.480 0.162 0.475 235 c N 3.663 122.053 118.600 -0.351 0.000 2.329 235 c HA 0.724 nan 4.570 nan 0.000 0.329 235 c C -1.037 172.866 174.090 -0.311 0.000 1.275 235 c CA -0.850 55.362 56.329 -0.196 0.000 1.726 235 c CB 1.191 43.614 42.510 -0.144 0.000 2.291 235 c HN 0.884 8.875 8.230 -0.399 0.000 0.514 236 Y N 2.822 123.091 120.300 -0.051 0.000 2.360 236 Y HA 0.665 nan 4.550 nan 0.000 0.337 236 Y C -1.694 174.203 175.900 -0.004 0.000 1.039 236 Y CA -1.347 56.743 58.100 -0.017 0.000 1.109 236 Y CB 2.218 40.672 38.460 -0.011 0.000 1.201 236 Y HN 0.947 9.386 8.280 0.266 0.000 0.458 237 L N 2.067 123.369 121.223 0.131 0.000 2.438 237 L HA 0.620 nan 4.340 nan 0.000 0.270 237 L C -2.240 174.495 176.870 -0.225 0.000 0.972 237 L CA -1.152 53.670 54.840 -0.031 0.000 0.831 237 L CB 4.566 46.551 42.059 -0.123 0.000 1.273 237 L HN 0.533 8.845 8.230 0.136 0.000 0.405 238 M N 6.773 126.108 119.600 -0.442 0.000 2.200 238 M HA 0.501 nan 4.480 nan 0.000 0.355 238 M C -1.655 174.351 176.300 -0.489 0.000 1.283 238 M CA 0.372 55.118 55.300 -0.924 0.000 1.124 238 M CB 0.917 33.073 32.600 -0.740 0.000 1.625 238 M HN 0.583 9.116 8.290 -0.236 -0.386 0.463 239 I N -1.797 118.507 120.570 -0.445 0.000 3.002 239 I HA 0.967 nan 4.170 nan 0.000 0.310 239 I C -2.301 173.751 176.117 -0.109 0.000 1.087 239 I CA -2.356 58.818 61.300 -0.209 0.000 1.017 239 I CB 3.640 41.553 38.000 -0.145 0.000 1.226 239 I HN 0.717 8.576 8.210 -0.584 0.000 0.443 240 T N 1.255 115.805 114.554 -0.008 0.000 2.769 240 T HA 0.454 nan 4.350 nan 0.000 0.306 240 T C -2.990 171.680 174.700 -0.051 0.000 1.400 240 T CA -0.791 61.329 62.100 0.035 0.000 1.007 240 T CB 2.664 71.497 68.868 -0.059 0.000 1.392 240 T HN 0.181 8.413 8.240 -0.013 0.000 0.500 241 D N 1.187 121.498 120.400 -0.149 0.000 2.836 241 D HA 0.520 nan 4.640 nan 0.000 0.215 241 D C -2.271 173.903 176.300 -0.210 0.000 1.255 241 D CA -0.235 53.580 54.000 -0.309 0.000 0.822 241 D CB 3.289 43.572 40.800 -0.863 0.000 1.656 241 D HN -0.026 8.307 8.370 -0.061 0.000 0.511 242 G N 1.922 110.639 108.800 -0.138 0.000 2.351 242 G HA2 -0.176 nan 3.960 nan 0.000 0.353 242 G HA3 -0.176 nan 3.960 nan 0.000 0.353 242 G C -2.095 172.783 174.900 -0.036 0.000 1.358 242 G CA -0.192 44.867 45.100 -0.070 0.000 0.995 242 G HN 0.204 8.420 8.290 -0.125 0.000 0.611 243 S N -0.446 115.259 115.700 0.008 0.000 2.549 243 S HA -0.055 nan 4.470 nan 0.000 0.286 243 S C 1.167 175.821 174.600 0.089 0.000 1.314 243 S CA -0.754 57.466 58.200 0.034 0.000 1.062 243 S CB 0.656 63.882 63.200 0.042 0.000 0.865 243 S HN -0.122 8.201 8.310 0.020 0.000 0.498 244 A N 6.375 129.236 122.820 0.067 0.000 2.067 244 A HA -0.083 nan 4.320 nan 0.000 0.219 244 A C 0.110 177.709 177.584 0.025 0.000 1.158 244 A CA 2.114 54.215 52.037 0.105 0.000 0.661 244 A CB -0.133 18.890 19.000 0.039 0.000 0.801 244 A HN 0.737 8.905 8.150 0.030 0.000 0.452 245 S N -5.336 110.347 115.700 -0.028 0.000 2.651 245 S HA 0.175 nan 4.470 nan 0.000 0.246 245 S C -0.442 174.077 174.600 -0.134 0.000 1.039 245 S CA -1.183 56.942 58.200 -0.124 0.000 1.013 245 S CB 0.710 63.861 63.200 -0.081 0.000 0.861 245 S HN -0.374 7.916 8.310 -0.002 0.020 0.485 246 G N -0.054 108.718 108.800 -0.048 0.000 3.039 246 G HA2 0.297 nan 3.960 nan 0.000 0.202 246 G HA3 0.297 nan 3.960 nan 0.000 0.202 246 G C -2.591 172.446 174.900 0.229 0.000 1.151 246 G CA -0.922 44.217 45.100 0.064 0.000 0.836 246 G HN -0.706 7.446 8.290 0.034 0.158 0.598 247 I N 1.444 122.170 120.570 0.259 0.000 2.441 247 I HA 0.162 nan 4.170 nan 0.000 0.287 247 I C -1.340 174.847 176.117 0.117 0.000 1.049 247 I CA 0.235 61.694 61.300 0.265 0.000 1.381 247 I CB 1.004 39.121 38.000 0.194 0.000 1.409 247 I HN -0.023 8.302 8.210 0.190 0.000 0.523 248 S N 7.481 123.175 115.700 -0.010 0.000 2.524 248 S HA 0.295 nan 4.470 nan 0.000 0.227 248 S C -1.883 172.684 174.600 -0.055 0.000 1.304 248 S CA -0.853 57.245 58.200 -0.171 0.000 1.185 248 S CB 0.800 63.633 63.200 -0.611 0.000 1.104 248 S HN 0.437 8.789 8.310 0.069 0.000 0.475 249 K N 5.343 125.799 120.400 0.094 0.000 2.312 249 K HA 0.431 nan 4.320 nan 0.000 0.287 249 K C -0.876 175.827 176.600 0.173 0.000 1.062 249 K CA -0.671 55.703 56.287 0.144 0.000 0.934 249 K CB 0.795 33.410 32.500 0.191 0.000 1.027 249 K HN 0.177 8.507 8.250 0.132 0.000 0.478 250 C N 2.445 121.801 119.300 0.093 0.000 2.500 250 C HA 0.626 nan 4.460 nan 0.000 0.367 250 C C -0.247 174.742 174.990 -0.002 0.000 1.283 250 C CA -2.625 56.415 59.018 0.037 0.000 2.456 250 C CB 0.979 28.684 27.740 -0.058 0.000 2.457 250 C HN 0.596 8.875 8.230 0.082 0.000 0.632 251 R N -1.279 119.132 120.500 -0.150 0.000 2.867 251 R HA 0.658 nan 4.340 nan 0.000 0.268 251 R C -1.996 174.069 176.300 -0.393 0.000 1.014 251 R CA -1.389 54.557 56.100 -0.257 0.000 0.946 251 R CB 5.112 35.138 30.300 -0.457 0.000 1.208 251 R HN 0.414 8.570 8.270 -0.189 0.000 0.477 252 F N -1.055 118.750 119.950 -0.241 0.000 2.495 252 F HA 0.747 nan 4.527 nan 0.000 0.327 252 F C -1.290 174.365 175.800 -0.242 0.000 1.103 252 F CA -1.121 56.779 58.000 -0.167 0.000 0.949 252 F CB 3.371 42.336 39.000 -0.059 0.000 1.142 252 F HN 0.145 8.427 8.300 -0.030 0.000 0.457 253 L N 0.845 121.991 121.223 -0.129 0.000 2.325 253 L HA 0.675 nan 4.340 nan 0.000 0.278 253 L C -1.604 175.168 176.870 -0.163 0.000 1.023 253 L CA -1.235 53.472 54.840 -0.222 0.000 0.811 253 L CB 2.122 43.981 42.059 -0.333 0.000 1.249 253 L HN 0.784 8.939 8.230 -0.124 0.000 0.431 254 K N 3.226 123.486 120.400 -0.234 0.000 2.265 254 K HA 0.642 nan 4.320 nan 0.000 0.267 254 K C -1.781 174.617 176.600 -0.337 0.000 0.994 254 K CA -0.966 55.055 56.287 -0.443 0.000 0.860 254 K CB 2.163 34.418 32.500 -0.408 0.000 1.099 254 K HN 0.655 8.786 8.250 -0.198 0.000 0.448 255 I N 6.602 126.954 120.570 -0.363 0.000 2.436 255 I HA 0.545 nan 4.170 nan 0.000 0.289 255 I C -2.407 173.533 176.117 -0.295 0.000 1.010 255 I CA -1.151 59.991 61.300 -0.265 0.000 1.098 255 I CB 3.503 41.378 38.000 -0.209 0.000 1.266 255 I HN 0.899 8.826 8.210 -0.472 0.000 0.434 256 R N 5.373 125.708 120.500 -0.275 0.000 2.476 256 R HA 0.352 nan 4.340 nan 0.000 0.305 256 R C -0.487 175.603 176.300 -0.350 0.000 0.965 256 R CA -0.993 54.921 56.100 -0.311 0.000 0.867 256 R CB 2.537 32.676 30.300 -0.269 0.000 1.176 256 R HN 0.994 9.024 8.270 -0.234 0.100 0.447 257 E N 5.808 125.705 120.200 -0.506 0.000 2.328 257 E HA -0.442 nan 4.350 nan 0.000 0.233 257 E C -0.851 175.195 176.600 -0.923 0.000 1.219 257 E CA 0.910 56.687 56.400 -1.039 0.000 0.717 257 E CB -1.932 27.439 29.700 -0.548 0.000 1.210 257 E HN 1.112 9.219 8.360 -0.421 0.000 0.381 258 G N -6.803 101.653 108.800 -0.573 0.000 2.179 258 G HA2 -0.520 nan 3.960 nan 0.000 0.260 258 G HA3 -0.520 nan 3.960 nan 0.000 0.260 258 G C -0.805 174.011 174.900 -0.139 0.000 0.977 258 G CA 0.267 45.236 45.100 -0.218 0.000 0.641 258 G HN 0.505 8.500 8.290 -0.491 0.000 0.533 259 R N -0.541 119.857 120.500 -0.170 0.000 2.599 259 R HA 0.542 nan 4.340 nan 0.000 0.295 259 R C -1.144 175.090 176.300 -0.110 0.000 0.963 259 R CA -2.009 54.031 56.100 -0.100 0.000 0.883 259 R CB 2.877 33.129 30.300 -0.080 0.000 1.171 259 R HN -0.115 7.839 8.270 -0.237 0.174 0.450 260 I N 5.284 125.812 120.570 -0.069 0.000 2.505 260 I HA -0.141 nan 4.170 nan 0.000 0.287 260 I C 0.363 176.443 176.117 -0.063 0.000 1.104 260 I CA 2.113 63.366 61.300 -0.078 0.000 1.387 260 I CB -0.116 37.869 38.000 -0.025 0.000 1.404 260 I HN 0.088 8.588 8.210 -0.033 -0.309 0.528 261 I N 2.564 123.075 120.570 -0.099 0.000 4.070 261 I HA 0.280 nan 4.170 nan 0.000 0.328 261 I C -0.984 175.100 176.117 -0.055 0.000 1.298 261 I CA -0.335 60.921 61.300 -0.073 0.000 1.173 261 I CB 1.114 39.054 38.000 -0.099 0.000 1.051 261 I HN 0.622 8.746 8.210 -0.144 0.000 0.409 262 K N 0.650 121.006 120.400 -0.074 0.000 2.557 262 K HA 0.211 nan 4.320 nan 0.000 0.261 262 K C -2.246 174.314 176.600 -0.067 0.000 0.932 262 K CA -0.216 56.048 56.287 -0.038 0.000 0.829 262 K CB 3.234 35.714 32.500 -0.033 0.000 1.358 262 K HN -0.638 7.545 8.250 -0.112 0.000 0.430 263 E N 3.043 123.218 120.200 -0.042 0.000 2.191 263 E HA 0.579 nan 4.350 nan 0.000 0.278 263 E C -0.853 175.618 176.600 -0.215 0.000 0.972 263 E CA -0.934 55.342 56.400 -0.207 0.000 0.804 263 E CB 2.023 31.567 29.700 -0.261 0.000 1.110 263 E HN 0.252 8.635 8.360 0.038 0.000 0.394 264 I N 4.100 124.488 120.570 -0.303 0.000 2.389 264 I HA 0.211 nan 4.170 nan 0.000 0.288 264 I C -1.492 174.478 176.117 -0.245 0.000 0.999 264 I CA -0.892 60.345 61.300 -0.105 0.000 1.129 264 I CB 2.694 40.722 38.000 0.048 0.000 1.288 264 I HN 0.764 8.768 8.210 -0.342 0.000 0.444 265 F N 7.163 127.144 119.950 0.053 0.000 2.361 265 F HA 0.356 nan 4.527 nan 0.000 0.364 265 F C -2.017 173.820 175.800 0.061 0.000 1.120 265 F CA -3.133 54.892 58.000 0.041 0.000 1.102 265 F CB -0.152 38.852 39.000 0.007 0.000 1.183 265 F HN 0.372 8.915 8.300 0.404 0.000 0.476 266 P HA 0.085 nan 4.420 nan 0.000 0.272 266 P C -1.077 176.301 177.300 0.130 0.000 1.240 266 P CA -0.746 62.446 63.100 0.153 0.000 0.791 266 P CB 0.574 32.379 31.700 0.174 0.000 0.978 267 T N 1.610 116.219 114.554 0.091 0.000 2.932 267 T HA 0.315 nan 4.350 nan 0.000 0.289 267 T C -0.860 173.852 174.700 0.020 0.000 1.039 267 T CA -0.761 61.373 62.100 0.056 0.000 1.024 267 T CB 2.609 71.510 68.868 0.055 0.000 1.090 267 T HN 0.091 8.385 8.240 0.089 0.000 0.496 268 G N 2.929 111.718 108.800 -0.018 0.000 2.358 268 G HA2 -0.223 nan 3.960 nan 0.000 0.198 268 G HA3 -0.223 nan 3.960 nan 0.000 0.198 268 G C -1.995 172.863 174.900 -0.070 0.000 1.220 268 G CA -0.266 44.784 45.100 -0.082 0.000 1.187 268 G HN -0.143 8.142 8.290 -0.008 0.000 0.544 269 R N 3.463 123.903 120.500 -0.101 0.000 2.220 269 R HA 0.150 nan 4.340 nan 0.000 0.340 269 R C -0.986 175.314 176.300 0.000 0.000 1.076 269 R CA 0.021 56.083 56.100 -0.065 0.000 0.920 269 R CB -0.860 29.378 30.300 -0.103 0.000 1.062 269 R HN 0.359 8.429 8.270 -0.159 0.104 0.469 270 V N 5.050 124.979 119.914 0.026 0.000 3.346 270 V HA 0.202 nan 4.120 nan 0.000 0.309 270 V C 0.202 176.356 176.094 0.101 0.000 1.457 270 V CA -0.034 62.309 62.300 0.071 0.000 1.069 270 V CB 0.759 32.620 31.823 0.062 0.000 0.944 270 V HN 0.266 8.460 8.190 0.007 0.000 0.449 271 E N -1.384 118.877 120.200 0.102 0.000 2.208 271 E HA -0.156 nan 4.350 nan 0.000 0.193 271 E C -0.550 176.248 176.600 0.330 0.000 0.988 271 E CA 1.908 58.406 56.400 0.163 0.000 0.828 271 E CB 0.305 30.035 29.700 0.049 0.000 0.763 271 E HN 0.161 8.557 8.360 0.060 0.000 0.478 272 H N -2.049 117.145 119.070 0.206 0.000 3.240 272 H HA 0.288 nan 4.556 nan 0.000 0.329 272 H C -2.316 173.075 175.328 0.105 0.000 1.024 272 H CA -0.467 55.678 56.048 0.160 0.000 1.487 272 H CB 2.230 32.085 29.762 0.155 0.000 1.909 272 H HN -0.660 7.802 8.280 0.303 0.000 0.465 273 T N 9.290 123.895 114.554 0.085 0.000 2.949 273 T HA 0.511 nan 4.350 nan 0.000 0.300 273 T C -2.184 172.510 174.700 -0.011 0.000 0.988 273 T CA -0.399 61.756 62.100 0.092 0.000 0.993 273 T CB 1.275 70.195 68.868 0.087 0.000 0.984 273 T HN 0.352 8.546 8.240 -0.076 0.000 0.442 274 E N 2.376 122.596 120.200 0.033 0.000 2.446 274 E HA 0.485 nan 4.350 nan 0.000 0.276 274 E C -0.962 175.635 176.600 -0.005 0.000 0.969 274 E CA -2.137 54.255 56.400 -0.014 0.000 0.800 274 E CB 3.572 33.271 29.700 -0.001 0.000 1.341 274 E HN 0.508 8.932 8.360 0.107 0.000 0.460 275 E N -3.895 116.289 120.200 -0.028 0.000 2.328 275 E HA -0.484 nan 4.350 nan 0.000 0.233 275 E C -0.593 175.986 176.600 -0.036 0.000 1.219 275 E CA 0.741 57.113 56.400 -0.047 0.000 0.717 275 E CB -1.822 27.822 29.700 -0.094 0.000 1.210 275 E HN 0.486 8.830 8.360 -0.027 0.000 0.381 276 c N -1.817 116.766 118.600 -0.029 0.000 2.642 276 c HA -0.105 nan 4.570 nan 0.000 0.420 276 c C 0.462 174.574 174.090 0.036 0.000 1.349 276 c CA 1.289 57.625 56.329 0.012 0.000 1.821 276 c CB -0.025 42.505 42.510 0.032 0.000 2.637 276 c HN -0.499 7.682 8.230 -0.054 0.016 0.605 277 T N 6.724 121.337 114.554 0.100 0.000 2.770 277 T HA 0.285 nan 4.350 nan 0.000 0.297 277 T C -1.406 173.427 174.700 0.220 0.000 0.997 277 T CA 0.260 62.462 62.100 0.169 0.000 0.949 277 T CB 0.462 69.478 68.868 0.246 0.000 0.941 277 T HN 0.254 8.554 8.240 0.100 0.000 0.457 278 c N 5.292 123.978 118.600 0.143 0.000 2.562 278 c HA 0.963 nan 4.570 nan 0.000 0.332 278 c C -0.844 173.266 174.090 0.033 0.000 1.201 278 c CA -2.342 54.050 56.329 0.105 0.000 1.803 278 c CB 3.261 45.796 42.510 0.041 0.000 2.328 278 c HN 0.690 8.979 8.230 0.099 0.000 0.500 279 G N -0.763 108.028 108.800 -0.014 0.000 2.600 279 G HA2 0.520 nan 3.960 nan 0.000 0.293 279 G HA3 0.520 nan 3.960 nan 0.000 0.293 279 G C -2.933 171.833 174.900 -0.224 0.000 1.408 279 G CA -0.204 44.866 45.100 -0.051 0.000 0.782 279 G HN 0.209 8.515 8.290 0.027 0.000 0.482 280 F N -0.717 119.192 119.950 -0.069 0.000 2.411 280 F HA 0.331 nan 4.527 nan 0.000 0.350 280 F C -0.335 175.129 175.800 -0.560 0.000 1.114 280 F CA -0.677 57.190 58.000 -0.221 0.000 1.135 280 F CB 0.940 39.869 39.000 -0.119 0.000 1.120 280 F HN 0.227 8.629 8.300 0.171 0.000 0.495 281 A N 5.524 128.102 122.820 -0.403 0.000 2.081 281 A HA 0.124 nan 4.320 nan 0.000 0.214 281 A C -0.883 176.622 177.584 -0.132 0.000 1.158 281 A CA 0.995 52.744 52.037 -0.481 0.000 0.724 281 A CB 0.727 19.593 19.000 -0.224 0.000 0.826 281 A HN 0.812 8.843 8.150 -0.198 0.000 0.463 282 S N -4.112 111.575 115.700 -0.022 0.000 2.694 282 S HA 0.068 nan 4.470 nan 0.000 0.273 282 S C -1.053 173.544 174.600 -0.005 0.000 1.180 282 S CA -0.919 57.274 58.200 -0.012 0.000 0.864 282 S CB 0.358 63.550 63.200 -0.013 0.000 1.198 282 S HN -0.701 7.617 8.310 0.050 0.022 0.499 283 N N -1.006 117.665 118.700 -0.049 0.000 2.550 283 N HA -0.116 nan 4.740 nan 0.000 0.186 283 N C -0.002 175.505 175.510 -0.004 0.000 1.110 283 N CA 1.836 54.843 53.050 -0.071 0.000 0.912 283 N CB -0.243 38.222 38.487 -0.037 0.000 0.968 283 N HN 0.340 8.696 8.380 -0.040 0.000 0.448 284 K N -3.507 116.900 120.400 0.011 0.000 2.367 284 K HA 0.292 nan 4.320 nan 0.000 0.195 284 K C -1.030 175.568 176.600 -0.003 0.000 1.060 284 K CA -0.279 56.011 56.287 0.006 0.000 1.022 284 K CB 1.602 34.098 32.500 -0.008 0.000 0.894 284 K HN -0.361 7.837 8.250 0.007 0.057 0.540 285 T N 1.921 116.486 114.554 0.019 0.000 2.841 285 T HA 0.540 nan 4.350 nan 0.000 0.285 285 T C -1.966 172.701 174.700 -0.054 0.000 0.991 285 T CA 0.116 62.191 62.100 -0.041 0.000 0.966 285 T CB 2.490 71.327 68.868 -0.052 0.000 0.962 285 T HN -0.691 7.580 8.240 0.052 0.000 0.438 286 I N 5.818 126.260 120.570 -0.213 0.000 2.353 286 I HA 0.494 nan 4.170 nan 0.000 0.293 286 I C -1.548 174.438 176.117 -0.219 0.000 0.992 286 I CA -0.487 60.606 61.300 -0.346 0.000 1.268 286 I CB 1.197 38.870 38.000 -0.545 0.000 1.387 286 I HN 0.702 8.756 8.210 -0.261 0.000 0.478 287 E N 5.520 125.677 120.200 -0.073 0.000 2.244 287 E HA 0.730 nan 4.350 nan 0.000 0.266 287 E C -1.781 174.802 176.600 -0.028 0.000 0.914 287 E CA -1.834 54.531 56.400 -0.058 0.000 0.794 287 E CB 3.912 33.756 29.700 0.241 0.000 1.210 287 E HN 0.216 8.565 8.360 -0.019 0.000 0.414 288 c N -0.144 118.243 118.600 -0.355 0.000 2.609 288 c HA 0.821 nan 4.570 nan 0.000 0.313 288 c C -1.549 172.234 174.090 -0.511 0.000 1.175 288 c CA -1.562 54.669 56.329 -0.162 0.000 1.434 288 c CB 3.523 46.032 42.510 -0.002 0.000 2.005 288 c HN 0.299 8.100 8.230 -0.714 0.000 0.471 289 A N 2.808 125.415 122.820 -0.356 0.000 2.260 289 A HA 0.805 nan 4.320 nan 0.000 0.314 289 A C -1.567 175.996 177.584 -0.034 0.000 1.257 289 A CA -1.760 50.126 52.037 -0.252 0.000 0.871 289 A CB 1.008 19.860 19.000 -0.246 0.000 1.166 289 A HN 0.444 8.562 8.150 -0.054 0.000 0.522 290 c N 3.313 121.918 118.600 0.009 0.000 2.857 290 c HA 0.912 nan 4.570 nan 0.000 0.397 290 c C -1.355 172.760 174.090 0.041 0.000 1.558 290 c CA -2.259 54.090 56.329 0.033 0.000 1.694 290 c CB 4.320 46.862 42.510 0.052 0.000 2.120 290 c HN 0.966 9.211 8.230 0.026 0.000 0.475 291 R N 0.287 120.814 120.500 0.044 0.000 2.494 291 R HA 0.284 nan 4.340 nan 0.000 0.305 291 R C -2.540 173.822 176.300 0.104 0.000 0.959 291 R CA -0.956 55.168 56.100 0.040 0.000 0.864 291 R CB 2.765 33.067 30.300 0.003 0.000 1.159 291 R HN 0.671 8.968 8.270 0.046 0.000 0.446 292 D N 6.432 126.864 120.400 0.054 0.000 2.414 292 D HA 0.149 nan 4.640 nan 0.000 0.232 292 D C -0.830 175.344 176.300 -0.210 0.000 1.070 292 D CA -1.157 52.849 54.000 0.011 0.000 0.839 292 D CB 1.135 41.949 40.800 0.023 0.000 1.079 292 D HN 0.349 8.731 8.370 0.019 0.000 0.521 293 N N 6.065 124.477 118.700 -0.480 0.000 2.398 293 N HA 0.048 nan 4.740 nan 0.000 0.188 293 N C -0.026 175.185 175.510 -0.500 0.000 1.122 293 N CA 0.990 53.819 53.050 -0.369 0.000 0.866 293 N CB 1.496 39.898 38.487 -0.141 0.000 0.970 293 N HN -0.101 7.848 8.380 -0.719 0.000 0.462 294 S N -0.662 114.583 115.700 -0.758 0.000 2.931 294 S HA 0.175 nan 4.470 nan 0.000 0.251 294 S C 1.197 175.398 174.600 -0.665 0.000 1.078 294 S CA 1.586 59.289 58.200 -0.829 0.000 0.835 294 S CB 1.004 63.427 63.200 -1.295 0.000 0.798 294 S HN 0.094 8.133 8.310 -0.867 -0.249 0.495 295 Y N -3.606 116.592 120.300 -0.171 0.000 2.467 295 Y HA 0.239 nan 4.550 nan 0.000 0.259 295 Y C -0.540 175.297 175.900 -0.105 0.000 1.084 295 Y CA -0.173 57.862 58.100 -0.108 0.000 1.275 295 Y CB 1.928 40.343 38.460 -0.075 0.000 1.208 295 Y HN -0.079 8.366 8.280 -0.402 -0.406 0.511 296 T N -3.266 111.293 114.554 0.007 0.000 2.853 296 T HA 0.241 nan 4.350 nan 0.000 0.311 296 T C -1.931 172.725 174.700 -0.073 0.000 1.307 296 T CA -1.644 60.431 62.100 -0.041 0.000 1.019 296 T CB 2.574 71.430 68.868 -0.020 0.000 1.264 296 T HN -0.755 7.617 8.240 -0.030 -0.150 0.497 297 A N 1.985 124.736 122.820 -0.114 0.000 2.275 297 A HA 0.280 nan 4.320 nan 0.000 0.212 297 A C -0.475 177.075 177.584 -0.056 0.000 1.201 297 A CA 0.177 52.158 52.037 -0.094 0.000 0.843 297 A CB 0.771 19.698 19.000 -0.123 0.000 0.873 297 A HN 0.563 8.617 8.150 -0.161 0.000 0.492 298 K N -0.783 119.574 120.400 -0.072 0.000 2.202 298 K HA -0.079 nan 4.320 nan 0.000 0.264 298 K C -1.116 175.500 176.600 0.027 0.000 1.010 298 K CA -0.557 55.735 56.287 0.008 0.000 0.940 298 K CB 0.731 33.226 32.500 -0.008 0.000 0.983 298 K HN -0.616 7.519 8.250 -0.111 0.049 0.475 299 R N 1.133 121.660 120.500 0.045 0.000 2.297 299 R HA 0.319 nan 4.340 nan 0.000 0.308 299 R C -1.960 174.412 176.300 0.119 0.000 1.029 299 R CA -2.650 53.489 56.100 0.066 0.000 0.929 299 R CB -0.019 30.315 30.300 0.056 0.000 1.046 299 R HN 0.258 8.550 8.270 0.036 0.000 0.461 300 P HA -0.073 nan 4.420 nan 0.000 0.264 300 P C -1.932 175.504 177.300 0.228 0.000 1.183 300 P CA 0.912 64.108 63.100 0.160 0.000 0.763 300 P CB 0.186 31.966 31.700 0.134 0.000 0.807 301 F N 5.229 125.293 119.950 0.191 0.000 2.496 301 F HA 0.467 nan 4.527 nan 0.000 0.341 301 F C -1.636 174.400 175.800 0.393 0.000 1.134 301 F CA -1.593 56.548 58.000 0.234 0.000 0.968 301 F CB 2.849 41.998 39.000 0.249 0.000 1.205 301 F HN 0.486 9.049 8.300 0.438 0.000 0.436 302 V N 8.966 128.858 119.914 -0.037 0.000 2.607 302 V HA 0.311 nan 4.120 nan 0.000 0.289 302 V C -1.154 174.904 176.094 -0.060 0.000 1.053 302 V CA -0.681 61.654 62.300 0.060 0.000 0.996 302 V CB 0.470 32.286 31.823 -0.011 0.000 0.995 302 V HN 0.707 8.695 8.190 -0.338 0.000 0.476 303 K N 5.348 125.794 120.400 0.076 0.000 2.450 303 K HA 0.681 nan 4.320 nan 0.000 0.257 303 K C -2.151 174.378 176.600 -0.117 0.000 0.953 303 K CA -1.180 55.071 56.287 -0.059 0.000 0.844 303 K CB 2.510 34.933 32.500 -0.128 0.000 1.103 303 K HN 0.236 8.628 8.250 0.237 0.000 0.429 304 L N 4.677 125.750 121.223 -0.249 0.000 2.313 304 L HA 0.565 nan 4.340 nan 0.000 0.283 304 L C -2.565 174.150 176.870 -0.259 0.000 1.013 304 L CA -1.609 53.027 54.840 -0.339 0.000 0.816 304 L CB 3.041 44.732 42.059 -0.613 0.000 1.236 304 L HN 0.914 8.994 8.230 -0.251 0.000 0.419 305 N N 6.557 125.151 118.700 -0.177 0.000 2.414 305 N HA 0.228 nan 4.740 nan 0.000 0.256 305 N C -0.197 175.229 175.510 -0.140 0.000 1.029 305 N CA -0.074 52.904 53.050 -0.121 0.000 0.948 305 N CB 1.508 39.963 38.487 -0.054 0.000 1.102 305 N HN 0.571 8.860 8.380 -0.151 0.000 0.496 306 V N 5.746 125.574 119.914 -0.144 0.000 2.719 306 V HA -0.261 nan 4.120 nan 0.000 0.252 306 V C 0.597 176.692 176.094 0.001 0.000 1.065 306 V CA 2.736 64.957 62.300 -0.132 0.000 1.086 306 V CB -0.120 31.633 31.823 -0.116 0.000 0.700 306 V HN 0.686 8.807 8.190 -0.116 0.000 0.467 307 E N -3.128 117.071 120.200 -0.002 0.000 2.158 307 E HA -0.159 nan 4.350 nan 0.000 0.191 307 E C 1.116 177.729 176.600 0.022 0.000 0.982 307 E CA 2.066 58.477 56.400 0.018 0.000 0.823 307 E CB 0.352 30.058 29.700 0.011 0.000 0.766 307 E HN 0.157 8.684 8.360 -0.020 -0.180 0.468 308 T N -8.619 105.942 114.554 0.013 0.000 3.001 308 T HA 0.225 nan 4.350 nan 0.000 0.251 308 T C -0.077 174.642 174.700 0.032 0.000 1.040 308 T CA -0.786 61.327 62.100 0.022 0.000 0.985 308 T CB 0.921 69.799 68.868 0.017 0.000 1.011 308 T HN -0.499 7.982 8.240 -0.005 -0.243 0.509 309 D N 0.546 120.963 120.400 0.027 0.000 2.718 309 D HA -0.336 nan 4.640 nan 0.000 0.242 309 D C -1.301 175.017 176.300 0.031 0.000 1.123 309 D CA 1.454 55.486 54.000 0.053 0.000 0.690 309 D CB -1.634 39.229 40.800 0.105 0.000 1.059 309 D HN 0.228 8.602 8.370 0.007 0.000 0.429 310 T N -7.230 107.317 114.554 -0.011 0.000 2.900 310 T HA 0.423 nan 4.350 nan 0.000 0.295 310 T C -2.487 172.184 174.700 -0.049 0.000 1.044 310 T CA -2.512 59.590 62.100 0.003 0.000 0.995 310 T CB 3.791 72.675 68.868 0.026 0.000 1.072 310 T HN -0.610 7.607 8.240 -0.038 0.000 0.473 311 A N 0.865 123.667 122.820 -0.031 0.000 2.414 311 A HA 0.894 nan 4.320 nan 0.000 0.306 311 A C -2.595 175.019 177.584 0.051 0.000 1.054 311 A CA -1.423 50.578 52.037 -0.061 0.000 0.724 311 A CB 2.828 21.709 19.000 -0.197 0.000 1.267 311 A HN 0.425 8.586 8.150 0.018 0.000 0.418 312 E N 1.354 121.630 120.200 0.126 0.000 2.288 312 E HA 0.929 nan 4.350 nan 0.000 0.268 312 E C -2.068 174.690 176.600 0.263 0.000 0.885 312 E CA -2.151 54.357 56.400 0.179 0.000 0.767 312 E CB 4.266 34.118 29.700 0.254 0.000 1.220 312 E HN -0.083 8.359 8.360 0.137 0.000 0.427 313 I N 2.460 123.093 120.570 0.105 0.000 2.545 313 I HA 0.677 nan 4.170 nan 0.000 0.292 313 I C -1.717 174.264 176.117 -0.227 0.000 1.040 313 I CA -1.205 60.163 61.300 0.114 0.000 1.068 313 I CB 2.953 41.023 38.000 0.117 0.000 1.251 313 I HN 0.570 8.784 8.210 0.006 0.000 0.424 314 R N 2.776 123.058 120.500 -0.363 0.000 2.739 314 R HA 0.429 nan 4.340 nan 0.000 0.271 314 R C -1.872 174.326 176.300 -0.169 0.000 1.010 314 R CA -2.666 53.079 56.100 -0.592 0.000 0.897 314 R CB 4.229 33.699 30.300 -1.383 0.000 1.236 314 R HN 0.092 8.400 8.270 0.063 0.000 0.466 315 L N 1.206 122.366 121.223 -0.105 0.000 2.461 315 L HA 0.124 nan 4.340 nan 0.000 0.272 315 L C 0.005 176.938 176.870 0.105 0.000 1.197 315 L CA 0.123 54.982 54.840 0.032 0.000 0.836 315 L CB 0.344 42.401 42.059 -0.004 0.000 1.105 315 L HN 0.343 8.471 8.230 -0.171 0.000 0.477 316 M N 0.358 120.043 119.600 0.142 0.000 2.248 316 M HA -0.240 nan 4.480 nan 0.000 0.345 316 M C -0.175 176.143 176.300 0.029 0.000 1.243 316 M CA 1.544 56.885 55.300 0.068 0.000 1.090 316 M CB 0.452 33.038 32.600 -0.022 0.000 1.683 316 M HN 0.081 8.460 8.290 0.149 0.000 0.450 317 c N 4.968 123.571 118.600 0.006 0.000 2.673 317 c HA 0.201 nan 4.570 nan 0.000 0.264 317 c C 0.379 174.462 174.090 -0.012 0.000 1.304 317 c CA -0.818 55.518 56.329 0.011 0.000 1.727 317 c CB -0.690 41.827 42.510 0.012 0.000 1.932 317 c HN 0.406 8.629 8.230 -0.012 0.000 0.563 318 T N 1.039 115.543 114.554 -0.084 0.000 2.946 318 T HA -0.150 nan 4.350 nan 0.000 0.312 318 T C 1.037 175.628 174.700 -0.183 0.000 1.066 318 T CA 1.788 63.797 62.100 -0.152 0.000 1.138 318 T CB 0.685 69.399 68.868 -0.256 0.000 1.014 318 T HN -0.232 7.940 8.240 -0.114 0.000 0.544 319 E N 4.286 124.331 120.200 -0.259 0.000 2.418 319 E HA -0.094 nan 4.350 nan 0.000 0.197 319 E C 0.873 176.913 176.600 -0.934 0.000 1.026 319 E CA 1.473 57.582 56.400 -0.485 0.000 0.862 319 E CB 0.227 29.756 29.700 -0.285 0.000 0.799 319 E HN -0.066 8.174 8.360 -0.201 0.000 0.518 320 T N 3.314 117.484 114.554 -0.639 0.000 3.781 320 T HA -0.017 nan 4.350 nan 0.000 0.286 320 T C -0.562 173.790 174.700 -0.579 0.000 1.277 320 T CA 0.144 61.861 62.100 -0.638 0.000 1.136 320 T CB -1.532 66.972 68.868 -0.607 0.000 1.202 320 T HN -0.751 7.180 8.240 -0.462 0.032 0.884 321 Y N 3.480 123.661 120.300 -0.198 0.000 2.717 321 Y HA -0.207 nan 4.550 nan 0.000 0.330 321 Y C 0.763 176.558 175.900 -0.176 0.000 1.217 321 Y CA -1.426 56.576 58.100 -0.163 0.000 1.506 321 Y CB -0.274 38.122 38.460 -0.107 0.000 1.268 321 Y HN -0.454 7.020 8.280 -1.298 0.027 0.561 322 L N 2.073 123.278 121.223 -0.031 0.000 2.585 322 L HA 0.047 nan 4.340 nan 0.000 0.226 322 L C -0.008 176.862 176.870 -0.001 0.000 1.113 322 L CA 0.023 54.826 54.840 -0.062 0.000 0.876 322 L CB 0.254 42.253 42.059 -0.101 0.000 1.072 322 L HN 0.338 8.567 8.230 -0.001 0.000 0.468 323 D N 0.345 120.756 120.400 0.017 0.000 2.411 323 D HA -0.016 nan 4.640 nan 0.000 0.251 323 D C -1.869 174.433 176.300 0.004 0.000 1.201 323 D CA 0.348 54.352 54.000 0.006 0.000 0.996 323 D CB 2.364 43.160 40.800 -0.008 0.000 1.101 323 D HN -0.763 7.630 8.370 0.038 0.000 0.504 324 T N 0.951 115.499 114.554 -0.011 0.000 3.011 324 T HA 0.502 nan 4.350 nan 0.000 0.303 324 T C -2.323 172.353 174.700 -0.041 0.000 0.997 324 T CA -3.260 58.827 62.100 -0.022 0.000 1.007 324 T CB 2.363 71.214 68.868 -0.029 0.000 1.017 324 T HN 0.142 8.372 8.240 -0.016 0.000 0.443 325 P HA 0.460 nan 4.420 nan 0.000 0.274 325 P C -1.470 175.813 177.300 -0.027 0.000 1.256 325 P CA -0.495 62.584 63.100 -0.036 0.000 0.795 325 P CB 0.916 32.591 31.700 -0.043 0.000 1.038 326 R N -4.012 116.482 120.500 -0.011 0.000 2.692 326 R HA 0.476 nan 4.340 nan 0.000 0.269 326 R C -2.282 174.029 176.300 0.019 0.000 1.030 326 R CA -2.349 53.754 56.100 0.004 0.000 0.882 326 R CB 0.496 30.837 30.300 0.068 0.000 1.250 326 R HN 0.003 8.269 8.270 -0.006 0.000 0.465 327 P HA 0.027 nan 4.420 nan 0.000 0.293 327 P C -1.560 175.817 177.300 0.129 0.000 1.304 327 P CA -0.721 62.403 63.100 0.041 0.000 0.767 327 P CB 0.552 32.240 31.700 -0.019 0.000 1.247 328 D N -2.014 118.447 120.400 0.102 0.000 2.382 328 D HA -0.093 nan 4.640 nan 0.000 0.240 328 D C 0.110 176.495 176.300 0.143 0.000 1.146 328 D CA 0.400 54.455 54.000 0.091 0.000 0.897 328 D CB 0.754 41.582 40.800 0.047 0.000 1.197 328 D HN 0.082 8.493 8.370 0.068 0.000 0.432 329 D N 0.031 120.428 120.400 -0.006 0.000 2.488 329 D HA -0.314 nan 4.640 nan 0.000 0.238 329 D C 0.898 177.127 176.300 -0.119 0.000 1.138 329 D CA 1.955 55.816 54.000 -0.232 0.000 0.873 329 D CB -0.022 40.618 40.800 -0.267 0.000 1.183 329 D HN -0.106 8.249 8.370 -0.024 0.000 0.458 330 G N 5.000 113.705 108.800 -0.158 0.000 2.205 330 G HA2 -0.412 nan 3.960 nan 0.000 0.261 330 G HA3 -0.412 nan 3.960 nan 0.000 0.261 330 G C 0.423 175.402 174.900 0.132 0.000 0.980 330 G CA 0.826 45.933 45.100 0.012 0.000 0.632 330 G HN 0.253 8.176 8.290 -0.612 0.000 0.533 331 S N 0.037 115.861 115.700 0.207 0.000 2.561 331 S HA -0.134 nan 4.470 nan 0.000 0.225 331 S C 0.707 175.357 174.600 0.083 0.000 0.977 331 S CA 1.610 59.882 58.200 0.119 0.000 0.926 331 S CB 0.602 63.858 63.200 0.094 0.000 0.769 331 S HN -0.338 8.079 8.310 0.301 0.073 0.533 332 I N 4.046 124.684 120.570 0.113 0.000 2.322 332 I HA -0.067 nan 4.170 nan 0.000 0.292 332 I C -0.587 175.544 176.117 0.023 0.000 1.060 332 I CA -0.112 61.176 61.300 -0.019 0.000 1.309 332 I CB -0.301 37.575 38.000 -0.207 0.000 1.415 332 I HN -0.601 7.756 8.210 0.320 0.045 0.492 333 T N 9.012 123.565 114.554 -0.001 0.000 2.828 333 T HA 0.039 nan 4.350 nan 0.000 0.290 333 T C -0.135 174.559 174.700 -0.011 0.000 1.019 333 T CA 0.687 62.786 62.100 -0.001 0.000 1.031 333 T CB 0.727 69.591 68.868 -0.006 0.000 1.001 333 T HN 0.186 8.417 8.240 -0.015 0.000 0.531 334 G N 1.634 110.429 108.800 -0.009 0.000 2.710 334 G HA2 -0.130 nan 3.960 nan 0.000 0.668 334 G HA3 -0.130 nan 3.960 nan 0.000 0.668 334 G C -2.905 171.987 174.900 -0.014 0.000 1.320 334 G CA -0.923 44.167 45.100 -0.015 0.000 0.860 334 G HN -0.083 8.205 8.290 -0.004 0.000 0.538 335 P HA 0.170 nan 4.420 nan 0.000 0.271 335 P C 0.675 177.964 177.300 -0.019 0.000 1.244 335 P CA -0.967 62.122 63.100 -0.018 0.000 0.793 335 P CB 0.718 32.403 31.700 -0.024 0.000 0.984 336 c N -0.644 117.947 118.600 -0.015 0.000 2.403 336 c HA -0.253 nan 4.570 nan 0.000 0.277 336 c C 2.101 176.174 174.090 -0.028 0.000 1.248 336 c CA 2.684 59.007 56.329 -0.011 0.000 1.762 336 c CB -1.138 41.368 42.510 -0.006 0.000 2.014 336 c HN 0.395 8.616 8.230 -0.014 0.000 0.486 337 E N -2.047 118.124 120.200 -0.049 0.000 2.502 337 E HA -0.113 nan 4.350 nan 0.000 0.194 337 E C -0.356 176.207 176.600 -0.061 0.000 1.062 337 E CA 0.315 56.676 56.400 -0.065 0.000 0.867 337 E CB -1.060 28.589 29.700 -0.085 0.000 0.888 337 E HN 0.194 8.510 8.360 -0.048 0.015 0.510 338 S N 2.987 118.654 115.700 -0.054 0.000 2.525 338 S HA -0.094 nan 4.470 nan 0.000 0.285 338 S C 0.865 175.420 174.600 -0.076 0.000 1.283 338 S CA 1.366 59.529 58.200 -0.061 0.000 1.072 338 S CB 0.117 63.285 63.200 -0.054 0.000 0.867 338 S HN -0.108 7.994 8.310 -0.044 0.181 0.492 339 N N 6.576 125.232 118.700 -0.073 0.000 2.043 339 N HA -0.236 nan 4.740 nan 0.000 0.193 339 N C 1.055 176.499 175.510 -0.111 0.000 1.037 339 N CA 1.664 54.672 53.050 -0.071 0.000 0.851 339 N CB 0.263 38.727 38.487 -0.039 0.000 1.027 339 N HN 0.527 8.865 8.380 -0.070 0.000 0.422 340 G N -2.056 106.680 108.800 -0.108 0.000 2.725 340 G HA2 -0.365 nan 3.960 nan 0.000 0.220 340 G HA3 -0.365 nan 3.960 nan 0.000 0.220 340 G C -1.607 173.226 174.900 -0.111 0.000 1.357 340 G CA -0.456 44.560 45.100 -0.140 0.000 0.866 340 G HN -0.373 7.868 8.290 -0.083 0.000 0.548 341 D N -0.021 120.304 120.400 -0.124 0.000 2.332 341 D HA 0.057 nan 4.640 nan 0.000 0.252 341 D C -0.063 176.181 176.300 -0.093 0.000 1.050 341 D CA -1.147 52.800 54.000 -0.088 0.000 0.970 341 D CB 0.916 41.670 40.800 -0.076 0.000 1.141 341 D HN -0.097 8.175 8.370 -0.162 0.000 0.485 342 K N -1.047 119.313 120.400 -0.067 0.000 3.035 342 K HA -0.271 nan 4.320 nan 0.000 0.262 342 K C -0.195 176.358 176.600 -0.078 0.000 1.024 342 K CA 0.832 57.080 56.287 -0.065 0.000 0.748 342 K CB -1.603 30.863 32.500 -0.056 0.000 1.247 342 K HN 0.381 8.599 8.250 -0.055 0.000 0.482 343 G N -2.183 106.570 108.800 -0.078 0.000 2.511 343 G HA2 -0.186 nan 3.960 nan 0.000 0.217 343 G HA3 -0.186 nan 3.960 nan 0.000 0.217 343 G C -0.551 174.281 174.900 -0.113 0.000 1.133 343 G CA -0.044 45.004 45.100 -0.086 0.000 0.792 343 G HN 0.244 8.478 8.290 -0.066 0.017 0.539 344 R N 0.070 120.503 120.500 -0.111 0.000 2.490 344 R HA -0.089 nan 4.340 nan 0.000 0.280 344 R C -0.336 175.894 176.300 -0.117 0.000 1.077 344 R CA 0.187 56.203 56.100 -0.140 0.000 1.065 344 R CB 0.229 30.462 30.300 -0.112 0.000 1.003 344 R HN -0.640 7.542 8.270 -0.087 0.035 0.470 345 G N 4.236 112.961 108.800 -0.125 0.000 2.746 345 G HA2 -0.307 nan 3.960 nan 0.000 0.685 345 G HA3 -0.307 nan 3.960 nan 0.000 0.685 345 G C -2.373 172.479 174.900 -0.080 0.000 1.350 345 G CA -0.618 44.431 45.100 -0.085 0.000 0.837 345 G HN 0.525 8.654 8.290 -0.157 0.067 0.564 346 G N -3.333 105.438 108.800 -0.048 0.000 2.340 346 G HA2 0.390 nan 3.960 nan 0.000 0.299 346 G HA3 0.390 nan 3.960 nan 0.000 0.299 346 G C -3.050 171.846 174.900 -0.007 0.000 1.291 346 G CA -0.190 44.889 45.100 -0.036 0.000 0.841 346 G HN -0.341 7.928 8.290 -0.036 0.000 0.500 347 I N -2.071 118.487 120.570 -0.019 0.000 2.787 347 I HA 0.271 nan 4.170 nan 0.000 0.294 347 I C -2.374 173.652 176.117 -0.151 0.000 1.365 347 I CA -1.413 59.874 61.300 -0.022 0.000 1.029 347 I CB 4.291 42.315 38.000 0.039 0.000 1.313 347 I HN 0.392 8.843 8.210 -0.030 -0.259 0.431 348 K N 6.992 127.096 120.400 -0.493 0.000 2.401 348 K HA -0.024 nan 4.320 nan 0.000 0.278 348 K C -1.304 175.240 176.600 -0.093 0.000 1.018 348 K CA 0.809 56.850 56.287 -0.410 0.000 0.981 348 K CB 1.150 33.197 32.500 -0.755 0.000 0.933 348 K HN 0.337 7.990 8.250 -0.995 0.000 0.477 349 G N 2.511 111.324 108.800 0.022 0.000 2.448 349 G HA2 0.358 nan 3.960 nan 0.000 0.324 349 G HA3 0.358 nan 3.960 nan 0.000 0.324 349 G C -1.424 173.591 174.900 0.192 0.000 1.203 349 G CA -1.748 43.421 45.100 0.115 0.000 0.954 349 G HN -0.035 8.264 8.290 0.014 0.000 0.480 350 G N 1.067 109.986 108.800 0.199 0.000 2.432 350 G HA2 -0.072 nan 3.960 nan 0.000 0.239 350 G HA3 -0.072 nan 3.960 nan 0.000 0.239 350 G C -2.137 172.946 174.900 0.305 0.000 1.291 350 G CA 0.179 45.401 45.100 0.204 0.000 0.863 350 G HN -0.016 8.375 8.290 0.168 0.000 0.560 351 F N 3.403 123.378 119.950 0.043 0.000 2.639 351 F HA 0.345 nan 4.527 nan 0.000 0.320 351 F C -2.526 173.202 175.800 -0.121 0.000 1.128 351 F CA -0.983 56.957 58.000 -0.099 0.000 1.037 351 F CB 2.784 41.761 39.000 -0.038 0.000 1.288 351 F HN -0.362 8.082 8.300 0.240 0.000 0.463 352 V N 4.907 124.428 119.914 -0.655 0.000 3.087 352 V HA 0.436 nan 4.120 nan 0.000 0.306 352 V C -2.406 173.308 176.094 -0.634 0.000 1.187 352 V CA -2.247 59.695 62.300 -0.596 0.000 0.999 352 V CB 4.725 36.448 31.823 -0.166 0.000 1.049 352 V HN 0.432 8.315 8.190 -0.511 0.000 0.431 353 H N 4.722 123.614 119.070 -0.296 0.000 2.467 353 H HA 0.541 nan 4.556 nan 0.000 0.331 353 H C -1.334 174.036 175.328 0.070 0.000 1.120 353 H CA -0.894 55.094 56.048 -0.101 0.000 1.270 353 H CB 1.537 31.250 29.762 -0.083 0.000 1.466 353 H HN 0.353 8.516 8.280 -0.195 0.000 0.504 354 Q N 3.306 123.288 119.800 0.303 0.000 2.413 354 Q HA 0.210 nan 4.340 nan 0.000 0.258 354 Q C -1.089 175.056 176.000 0.242 0.000 1.037 354 Q CA -1.565 54.411 55.803 0.290 0.000 0.764 354 Q CB 1.369 30.399 28.738 0.487 0.000 1.217 354 Q HN 0.532 8.984 8.270 0.304 0.000 0.490 355 R N 7.356 127.957 120.500 0.169 0.000 2.196 355 R HA 0.456 nan 4.340 nan 0.000 0.340 355 R C -0.877 175.488 176.300 0.108 0.000 1.043 355 R CA -0.392 55.783 56.100 0.125 0.000 0.883 355 R CB 0.851 31.197 30.300 0.078 0.000 1.078 355 R HN 0.723 9.079 8.270 0.142 0.000 0.462 356 M N 5.276 124.944 119.600 0.114 0.000 2.753 356 M HA 0.270 nan 4.480 nan 0.000 0.299 356 M C -0.127 176.208 176.300 0.059 0.000 1.219 356 M CA -0.121 55.230 55.300 0.087 0.000 0.900 356 M CB 1.998 34.657 32.600 0.097 0.000 1.628 356 M HN -0.184 8.184 8.290 0.130 0.000 0.502 357 A N 0.124 122.968 122.820 0.039 0.000 1.929 357 A HA -0.065 nan 4.320 nan 0.000 0.216 357 A C 0.066 177.665 177.584 0.026 0.000 1.176 357 A CA 2.273 54.325 52.037 0.025 0.000 0.628 357 A CB -0.480 18.529 19.000 0.015 0.000 0.816 357 A HN 0.610 8.782 8.150 0.037 0.000 0.444 358 S N -3.802 111.916 115.700 0.029 0.000 2.559 358 S HA 0.071 nan 4.470 nan 0.000 0.226 358 S C -0.471 174.153 174.600 0.040 0.000 1.000 358 S CA 0.011 58.226 58.200 0.026 0.000 0.948 358 S CB 1.037 64.245 63.200 0.014 0.000 0.870 358 S HN -0.127 8.201 8.310 0.030 0.000 0.497 359 K N 1.970 122.408 120.400 0.064 0.000 2.502 359 K HA 0.361 nan 4.320 nan 0.000 0.257 359 K C -2.417 174.278 176.600 0.159 0.000 0.938 359 K CA -0.533 55.814 56.287 0.100 0.000 0.819 359 K CB 2.687 35.230 32.500 0.071 0.000 1.333 359 K HN -0.777 7.515 8.250 0.069 0.000 0.434 360 I N 3.402 124.084 120.570 0.187 0.000 2.406 360 I HA 0.519 nan 4.170 nan 0.000 0.290 360 I C -1.112 175.128 176.117 0.204 0.000 0.999 360 I CA -1.615 59.802 61.300 0.194 0.000 1.124 360 I CB 2.920 41.010 38.000 0.151 0.000 1.289 360 I HN 0.270 8.884 8.210 0.171 -0.302 0.441 361 G N 5.152 114.045 108.800 0.155 0.000 2.356 361 G HA2 0.623 nan 3.960 nan 0.000 0.322 361 G HA3 0.623 nan 3.960 nan 0.000 0.322 361 G C -2.134 172.640 174.900 -0.211 0.000 1.125 361 G CA -1.300 43.597 45.100 -0.337 0.000 0.885 361 G HN 0.787 9.220 8.290 0.239 0.000 0.467 362 R N 4.017 124.275 120.500 -0.403 0.000 2.393 362 R HA 0.605 nan 4.340 nan 0.000 0.315 362 R C -1.390 174.602 176.300 -0.512 0.000 0.952 362 R CA -1.251 54.671 56.100 -0.297 0.000 0.842 362 R CB 2.918 33.210 30.300 -0.014 0.000 1.163 362 R HN 0.678 8.617 8.270 -0.552 0.000 0.450 363 W N 4.504 125.499 121.300 -0.508 0.000 2.520 363 W HA 0.501 nan 4.660 nan 0.000 0.323 363 W C -1.100 175.186 176.519 -0.387 0.000 1.062 363 W CA -0.798 56.315 57.345 -0.386 0.000 1.215 363 W CB 2.346 31.569 29.460 -0.396 0.000 1.340 363 W HN 0.683 8.743 8.180 -0.199 0.000 0.516 364 Y N 0.498 120.918 120.300 0.200 0.000 2.588 364 Y HA 0.377 nan 4.550 nan 0.000 0.343 364 Y C -1.702 174.282 175.900 0.140 0.000 1.065 364 Y CA -1.551 56.666 58.100 0.194 0.000 1.038 364 Y CB 4.498 43.046 38.460 0.146 0.000 1.297 364 Y HN 0.852 9.336 8.280 0.340 0.000 0.467 365 S N 0.104 115.974 115.700 0.283 0.000 2.566 365 S HA 0.916 nan 4.470 nan 0.000 0.298 365 S C -1.159 173.550 174.600 0.182 0.000 1.083 365 S CA -1.418 56.890 58.200 0.180 0.000 0.978 365 S CB 2.834 66.076 63.200 0.070 0.000 1.073 365 S HN -0.034 8.453 8.310 0.296 0.000 0.491 366 R N -1.977 118.624 120.500 0.169 0.000 2.739 366 R HA 0.556 nan 4.340 nan 0.000 0.271 366 R C -0.517 175.848 176.300 0.109 0.000 1.010 366 R CA -1.708 54.463 56.100 0.119 0.000 0.897 366 R CB 3.341 33.685 30.300 0.074 0.000 1.236 366 R HN 0.278 8.658 8.270 0.185 0.000 0.466 367 T N -4.007 110.594 114.554 0.078 0.000 2.903 367 T HA 0.124 nan 4.350 nan 0.000 0.314 367 T C 0.853 175.599 174.700 0.075 0.000 1.078 367 T CA 0.143 62.282 62.100 0.066 0.000 1.114 367 T CB 0.771 69.660 68.868 0.035 0.000 0.987 367 T HN 0.435 8.713 8.240 0.064 0.000 0.548 368 M N 2.818 122.460 119.600 0.069 0.000 2.193 368 M HA -0.174 nan 4.480 nan 0.000 0.265 368 M C 0.221 176.555 176.300 0.057 0.000 1.071 368 M CA 2.612 57.959 55.300 0.078 0.000 1.140 368 M CB 0.677 33.317 32.600 0.067 0.000 1.369 368 M HN -0.019 8.202 8.290 0.060 0.105 0.423 369 S N -1.591 114.132 115.700 0.037 0.000 2.564 369 S HA -0.072 nan 4.470 nan 0.000 0.278 369 S C 0.829 175.439 174.600 0.016 0.000 1.333 369 S CA -0.412 57.801 58.200 0.022 0.000 1.048 369 S CB 0.767 63.972 63.200 0.009 0.000 0.900 369 S HN -0.540 7.791 8.310 0.035 0.000 0.505 370 K N 5.124 125.533 120.400 0.014 0.000 2.305 370 K HA -0.110 nan 4.320 nan 0.000 0.199 370 K C 0.916 177.514 176.600 -0.004 0.000 1.047 370 K CA 2.819 59.114 56.287 0.013 0.000 0.976 370 K CB 0.172 32.683 32.500 0.018 0.000 0.765 370 K HN 0.636 8.895 8.250 0.015 0.000 0.474 371 T N -8.940 105.606 114.554 -0.014 0.000 2.959 371 T HA 0.266 nan 4.350 nan 0.000 0.254 371 T C 0.156 174.826 174.700 -0.051 0.000 1.003 371 T CA -0.046 62.036 62.100 -0.030 0.000 0.950 371 T CB 0.635 69.488 68.868 -0.024 0.000 1.090 371 T HN -0.541 7.674 8.240 -0.008 0.020 0.503 372 E N 1.435 121.605 120.200 -0.050 0.000 2.299 372 E HA 0.283 nan 4.350 nan 0.000 0.260 372 E C -1.402 175.132 176.600 -0.111 0.000 0.944 372 E CA -2.242 54.108 56.400 -0.083 0.000 0.815 372 E CB 2.922 32.593 29.700 -0.048 0.000 1.252 372 E HN -0.403 7.938 8.360 -0.031 0.000 0.418 373 R N 0.889 121.262 120.500 -0.213 0.000 4.138 373 R HA 0.034 nan 4.340 nan 0.000 0.206 373 R C -1.246 175.020 176.300 -0.057 0.000 1.667 373 R CA -0.231 55.699 56.100 -0.283 0.000 1.481 373 R CB -0.558 29.183 30.300 -0.932 0.000 1.388 373 R HN 0.626 8.748 8.270 -0.247 0.000 0.776 374 M N 0.936 120.541 119.600 0.009 0.000 2.326 374 M HA 0.373 nan 4.480 nan 0.000 0.292 374 M C -1.119 175.218 176.300 0.061 0.000 1.081 374 M CA -1.703 53.634 55.300 0.063 0.000 0.919 374 M CB 3.665 36.293 32.600 0.046 0.000 1.634 374 M HN -0.128 8.120 8.290 -0.009 0.036 0.451 375 G N 4.906 113.750 108.800 0.073 0.000 2.814 375 G HA2 -0.362 nan 3.960 nan 0.000 0.677 375 G HA3 -0.362 nan 3.960 nan 0.000 0.677 375 G C -2.603 172.331 174.900 0.056 0.000 1.429 375 G CA -0.081 45.053 45.100 0.057 0.000 0.868 375 G HN 0.684 9.027 8.290 0.089 0.000 0.553 376 M N 1.601 121.218 119.600 0.028 0.000 2.307 376 M HA 0.268 nan 4.480 nan 0.000 0.279 376 M C -2.750 173.520 176.300 -0.050 0.000 1.080 376 M CA -0.009 55.298 55.300 0.012 0.000 0.964 376 M CB 3.824 36.428 32.600 0.006 0.000 1.825 376 M HN 0.113 8.327 8.290 0.014 0.085 0.489 377 E N 3.711 123.888 120.200 -0.038 0.000 2.277 377 E HA 0.835 nan 4.350 nan 0.000 0.266 377 E C -1.949 174.514 176.600 -0.228 0.000 0.901 377 E CA -1.897 54.397 56.400 -0.178 0.000 0.782 377 E CB 4.376 33.999 29.700 -0.128 0.000 1.228 377 E HN 0.567 8.949 8.360 0.036 0.000 0.424 378 L N 0.401 121.346 121.223 -0.464 0.000 2.322 378 L HA 0.684 nan 4.340 nan 0.000 0.279 378 L C -1.523 175.002 176.870 -0.576 0.000 1.036 378 L CA -0.854 53.778 54.840 -0.346 0.000 0.807 378 L CB 2.565 44.444 42.059 -0.301 0.000 1.226 378 L HN 0.559 8.425 8.230 -0.606 0.000 0.433 379 Y N 1.070 121.341 120.300 -0.049 0.000 2.492 379 Y HA 0.533 nan 4.550 nan 0.000 0.346 379 Y C -2.293 173.544 175.900 -0.106 0.000 0.997 379 Y CA -0.773 57.294 58.100 -0.054 0.000 1.025 379 Y CB 3.961 42.412 38.460 -0.014 0.000 1.263 379 Y HN 0.377 8.750 8.280 0.155 0.000 0.454 380 V N 1.635 121.440 119.914 -0.182 0.000 3.001 380 V HA 0.862 nan 4.120 nan 0.000 0.314 380 V C -2.721 173.169 176.094 -0.340 0.000 1.099 380 V CA -2.705 59.228 62.300 -0.613 0.000 0.989 380 V CB 4.563 35.477 31.823 -1.516 0.000 1.040 380 V HN 0.782 8.905 8.190 -0.112 0.000 0.434 381 R N 3.450 123.689 120.500 -0.435 0.000 2.548 381 R HA 0.406 nan 4.340 nan 0.000 0.280 381 R C -2.540 173.529 176.300 -0.386 0.000 1.061 381 R CA -0.609 55.337 56.100 -0.257 0.000 0.915 381 R CB 4.604 34.863 30.300 -0.068 0.000 1.210 381 R HN 0.052 7.980 8.270 -0.570 0.000 0.442 382 Y N 5.382 125.627 120.300 -0.091 0.000 2.323 382 Y HA 0.316 nan 4.550 nan 0.000 0.331 382 Y C -0.330 175.558 175.900 -0.020 0.000 1.092 382 Y CA 0.606 58.675 58.100 -0.053 0.000 1.150 382 Y CB 0.651 39.083 38.460 -0.047 0.000 1.200 382 Y HN 0.234 8.578 8.280 0.106 0.000 0.472 383 D N 1.069 121.543 120.400 0.122 0.000 3.565 383 D HA -0.416 nan 4.640 nan 0.000 0.257 383 D C 0.419 176.733 176.300 0.024 0.000 1.938 383 D CA 1.471 55.515 54.000 0.073 0.000 1.130 383 D CB -0.094 40.753 40.800 0.077 0.000 0.859 383 D HN 0.579 8.928 8.370 0.145 0.107 1.039 384 G N -1.335 107.470 108.800 0.008 0.000 2.632 384 G HA2 -0.388 nan 3.960 nan 0.000 0.224 384 G HA3 -0.388 nan 3.960 nan 0.000 0.224 384 G C -2.078 172.790 174.900 -0.053 0.000 1.341 384 G CA -0.380 44.709 45.100 -0.019 0.000 0.880 384 G HN 0.145 8.445 8.290 0.017 0.000 0.566 385 D N -0.028 120.325 120.400 -0.078 0.000 2.575 385 D HA 0.493 nan 4.640 nan 0.000 0.250 385 D C -1.474 174.721 176.300 -0.174 0.000 1.279 385 D CA -2.869 51.050 54.000 -0.134 0.000 0.925 385 D CB 1.141 41.901 40.800 -0.068 0.000 1.261 385 D HN -0.571 8.220 8.370 -0.061 -0.457 0.567 386 P HA -0.168 nan 4.420 nan 0.000 0.217 386 P C 0.896 178.104 177.300 -0.154 0.000 1.148 386 P CA 2.104 64.938 63.100 -0.444 0.000 0.828 386 P CB 0.097 31.116 31.700 -1.134 0.000 0.783 387 W N -5.125 116.032 121.300 -0.238 0.000 2.467 387 W HA -0.029 nan 4.660 nan 0.000 0.275 387 W C 0.588 177.057 176.519 -0.084 0.000 1.239 387 W CA 1.552 58.826 57.345 -0.119 0.000 1.266 387 W CB -0.445 28.984 29.460 -0.050 0.000 1.112 387 W HN 0.226 8.664 8.180 -0.132 -0.337 0.576 388 T N -8.352 106.281 114.554 0.132 0.000 2.958 388 T HA 0.183 nan 4.350 nan 0.000 0.256 388 T C -0.295 174.415 174.700 0.017 0.000 0.983 388 T CA -0.522 61.619 62.100 0.068 0.000 0.924 388 T CB 1.855 70.766 68.868 0.072 0.000 1.136 388 T HN -0.583 7.583 8.240 0.090 0.129 0.506 389 D N 4.645 125.036 120.400 -0.015 0.000 2.312 389 D HA 0.235 nan 4.640 nan 0.000 0.252 389 D C -0.465 175.809 176.300 -0.044 0.000 1.150 389 D CA 0.225 54.205 54.000 -0.033 0.000 0.870 389 D CB 0.514 41.283 40.800 -0.052 0.000 1.153 389 D HN -0.092 8.262 8.370 -0.028 0.000 0.457 390 S N 0.937 116.615 115.700 -0.036 0.000 2.524 390 S HA -0.075 nan 4.470 nan 0.000 0.216 390 S C 0.186 174.745 174.600 -0.069 0.000 0.987 390 S CA 0.650 58.824 58.200 -0.043 0.000 0.909 390 S CB 0.666 63.852 63.200 -0.022 0.000 0.781 390 S HN 0.155 8.449 8.310 -0.027 0.000 0.521 391 D N 3.286 123.648 120.400 -0.063 0.000 2.571 391 D HA -0.198 nan 4.640 nan 0.000 0.231 391 D C -0.180 176.058 176.300 -0.102 0.000 1.133 391 D CA 0.786 54.745 54.000 -0.068 0.000 0.862 391 D CB 0.270 41.041 40.800 -0.050 0.000 1.179 391 D HN -0.041 8.264 8.370 -0.050 0.034 0.474 392 A N 2.193 124.953 122.820 -0.101 0.000 2.520 392 A HA -0.024 nan 4.320 nan 0.000 0.235 392 A C -0.120 177.412 177.584 -0.086 0.000 1.065 392 A CA 0.415 52.378 52.037 -0.123 0.000 0.764 392 A CB 0.698 19.649 19.000 -0.082 0.000 1.002 392 A HN 0.229 8.331 8.150 -0.081 0.000 0.502 393 L N -0.122 121.033 121.223 -0.114 0.000 2.439 393 L HA 0.246 nan 4.340 nan 0.000 0.261 393 L C -0.245 176.718 176.870 0.155 0.000 1.153 393 L CA -1.024 53.803 54.840 -0.022 0.000 0.808 393 L CB 0.390 42.380 42.059 -0.114 0.000 1.126 393 L HN -0.247 7.859 8.230 -0.206 0.000 0.460 394 A N 2.040 124.941 122.820 0.134 0.000 2.309 394 A HA 0.163 nan 4.320 nan 0.000 0.290 394 A C -1.189 176.473 177.584 0.129 0.000 1.206 394 A CA -0.969 51.144 52.037 0.127 0.000 0.850 394 A CB 0.819 19.845 19.000 0.044 0.000 1.118 394 A HN 0.636 8.819 8.150 0.055 0.000 0.523 395 H N 5.651 124.703 119.070 -0.029 0.000 3.004 395 H HA -0.136 nan 4.556 nan 0.000 0.316 395 H C -0.651 174.527 175.328 -0.249 0.000 1.014 395 H CA 0.494 56.297 56.048 -0.410 0.000 1.454 395 H CB 0.368 29.982 29.762 -0.246 0.000 1.472 395 H HN 0.507 8.931 8.280 0.241 0.000 0.571 396 S N 7.399 122.814 115.700 -0.475 0.000 2.754 396 S HA 0.169 nan 4.470 nan 0.000 0.247 396 S C -1.670 172.810 174.600 -0.200 0.000 1.031 396 S CA -0.283 57.826 58.200 -0.150 0.000 1.014 396 S CB 1.489 64.725 63.200 0.059 0.000 0.918 396 S HN 0.754 8.520 8.310 -0.700 0.124 0.519 397 G N -2.099 106.418 108.800 -0.471 0.000 2.335 397 G HA2 -0.158 nan 3.960 nan 0.000 0.592 397 G HA3 -0.158 nan 3.960 nan 0.000 0.592 397 G C -2.885 171.855 174.900 -0.266 0.000 1.442 397 G CA -0.531 44.463 45.100 -0.176 0.000 0.976 397 G HN -1.011 6.560 8.290 -1.198 0.000 0.652 398 V N 2.188 122.064 119.914 -0.064 0.000 2.368 398 V HA 0.237 nan 4.120 nan 0.000 0.266 398 V C 0.044 176.067 176.094 -0.118 0.000 1.045 398 V CA -0.138 62.126 62.300 -0.060 0.000 0.899 398 V CB -0.796 31.055 31.823 0.046 0.000 1.006 398 V HN 0.484 8.691 8.190 0.029 0.000 0.470 399 M N 6.824 126.272 119.600 -0.253 0.000 2.357 399 M HA 0.056 nan 4.480 nan 0.000 0.266 399 M C -0.376 175.846 176.300 -0.129 0.000 1.095 399 M CA 2.879 57.908 55.300 -0.451 0.000 1.156 399 M CB 1.587 33.704 32.600 -0.806 0.000 1.365 399 M HN 0.413 8.562 8.290 -0.235 0.000 0.447 400 V N -3.704 116.172 119.914 -0.064 0.000 2.686 400 V HA 0.320 nan 4.120 nan 0.000 0.306 400 V C -0.894 175.208 176.094 0.014 0.000 1.065 400 V CA -2.240 60.063 62.300 0.007 0.000 0.894 400 V CB 1.791 33.634 31.823 0.033 0.000 1.004 400 V HN -0.349 7.791 8.190 -0.082 0.000 0.424 401 S N 5.783 121.494 115.700 0.018 0.000 2.614 401 S HA 0.296 nan 4.470 nan 0.000 0.265 401 S C 0.904 175.523 174.600 0.033 0.000 1.303 401 S CA 0.316 58.530 58.200 0.024 0.000 1.000 401 S CB 2.061 65.270 63.200 0.015 0.000 0.935 401 S HN 0.332 8.649 8.310 0.012 0.000 0.551 402 M N 2.591 122.212 119.600 0.035 0.000 2.267 402 M HA -0.238 nan 4.480 nan 0.000 0.263 402 M C 1.025 177.348 176.300 0.039 0.000 1.063 402 M CA 2.729 58.052 55.300 0.038 0.000 1.090 402 M CB 0.054 32.674 32.600 0.033 0.000 1.392 402 M HN 0.678 8.988 8.290 0.034 0.000 0.422 403 K N -1.764 118.656 120.400 0.033 0.000 2.365 403 K HA -0.133 nan 4.320 nan 0.000 0.199 403 K C -0.072 176.552 176.600 0.040 0.000 1.045 403 K CA 1.172 57.477 56.287 0.031 0.000 0.962 403 K CB 0.624 33.136 32.500 0.020 0.000 0.759 403 K HN -0.625 7.576 8.250 0.029 0.066 0.469 404 E N -2.098 118.131 120.200 0.049 0.000 2.263 404 E HA 0.474 nan 4.350 nan 0.000 0.264 404 E C -2.592 174.065 176.600 0.095 0.000 0.923 404 E CA -3.102 53.334 56.400 0.060 0.000 0.802 404 E CB 1.643 31.371 29.700 0.047 0.000 1.228 404 E HN -0.272 7.955 8.360 0.049 0.163 0.417 405 P HA 0.055 nan 4.420 nan 0.000 0.271 405 P C -1.225 176.233 177.300 0.263 0.000 1.216 405 P CA -0.683 62.556 63.100 0.232 0.000 0.771 405 P CB 0.036 31.826 31.700 0.151 0.000 0.864 406 G N 2.301 111.306 108.800 0.342 0.000 2.883 406 G HA2 0.218 nan 3.960 nan 0.000 0.285 406 G HA3 0.218 nan 3.960 nan 0.000 0.285 406 G C -2.109 173.017 174.900 0.376 0.000 1.526 406 G CA -0.235 45.032 45.100 0.280 0.000 1.062 406 G HN -0.037 8.335 8.290 0.344 0.124 0.550 407 W N 3.807 125.172 121.300 0.107 0.000 3.349 407 W HA 0.417 nan 4.660 nan 0.000 0.645 407 W C -0.426 176.290 176.519 0.328 0.000 2.564 407 W CA -0.742 56.705 57.345 0.170 0.000 1.006 407 W CB 1.240 30.741 29.460 0.068 0.000 2.966 407 W HN 0.523 9.007 8.180 0.506 0.000 0.601 408 Y N -1.953 118.598 120.300 0.417 0.000 2.457 408 Y HA -0.141 nan 4.550 nan 0.000 0.341 408 Y C 0.057 176.158 175.900 0.335 0.000 1.240 408 Y CA -0.341 57.962 58.100 0.338 0.000 1.437 408 Y CB 0.176 38.853 38.460 0.362 0.000 1.328 408 Y HN -0.360 8.624 8.280 0.685 -0.293 0.588 409 S N -0.052 115.892 115.700 0.408 0.000 2.661 409 S HA 0.870 nan 4.470 nan 0.000 0.285 409 S C -1.798 172.997 174.600 0.326 0.000 1.138 409 S CA -1.343 56.998 58.200 0.235 0.000 0.855 409 S CB 3.658 66.924 63.200 0.111 0.000 1.136 409 S HN -0.107 8.400 8.310 0.328 0.000 0.484 410 F N -5.856 114.251 119.950 0.262 0.000 2.741 410 F HA 0.399 nan 4.527 nan 0.000 0.311 410 F C -1.914 174.060 175.800 0.291 0.000 1.149 410 F CA -0.881 57.276 58.000 0.260 0.000 0.930 410 F CB 1.710 40.882 39.000 0.287 0.000 1.312 410 F HN 0.334 8.345 8.300 -0.481 0.000 0.450 411 G N -2.262 106.807 108.800 0.449 0.000 2.471 411 G HA2 0.819 nan 3.960 nan 0.000 0.332 411 G HA3 0.819 nan 3.960 nan 0.000 0.332 411 G C -2.342 172.875 174.900 0.529 0.000 1.176 411 G CA -1.452 43.830 45.100 0.303 0.000 0.949 411 G HN -0.032 8.545 8.290 0.477 0.000 0.488 412 F N -3.315 116.769 119.950 0.224 0.000 2.741 412 F HA 0.513 nan 4.527 nan 0.000 0.311 412 F C -3.195 172.691 175.800 0.144 0.000 1.149 412 F CA -1.571 56.565 58.000 0.225 0.000 0.930 412 F CB 1.924 41.118 39.000 0.324 0.000 1.312 412 F HN 0.270 8.502 8.300 -0.115 0.000 0.450 413 E N -0.395 119.920 120.200 0.191 0.000 2.210 413 E HA 0.592 nan 4.350 nan 0.000 0.266 413 E C -0.900 175.807 176.600 0.179 0.000 0.883 413 E CA -1.730 54.701 56.400 0.051 0.000 0.761 413 E CB 3.268 33.017 29.700 0.080 0.000 1.156 413 E HN 0.004 8.576 8.360 0.354 0.000 0.412 414 I N 4.379 125.004 120.570 0.092 0.000 2.395 414 I HA -0.014 nan 4.170 nan 0.000 0.289 414 I C -0.717 175.440 176.117 0.066 0.000 1.023 414 I CA -0.169 61.210 61.300 0.131 0.000 1.350 414 I CB 1.055 39.113 38.000 0.097 0.000 1.409 414 I HN 0.600 8.784 8.210 -0.043 0.000 0.507 415 K N 7.604 128.045 120.400 0.068 0.000 2.284 415 K HA 0.094 nan 4.320 nan 0.000 0.287 415 K C -0.661 175.953 176.600 0.023 0.000 1.081 415 K CA -1.249 55.062 56.287 0.040 0.000 0.910 415 K CB -1.181 31.340 32.500 0.036 0.000 1.088 415 K HN 0.539 8.839 8.250 0.083 0.000 0.478 416 D N 4.926 125.332 120.400 0.010 0.000 2.447 416 D HA 0.034 nan 4.640 nan 0.000 0.265 416 D C 1.084 177.386 176.300 0.004 0.000 1.250 416 D CA -0.746 53.255 54.000 0.002 0.000 1.046 416 D CB 2.612 43.407 40.800 -0.009 0.000 1.095 416 D HN 0.204 8.577 8.370 0.006 0.000 0.555 417 K N 0.464 120.865 120.400 0.001 0.000 2.063 417 K HA -0.225 nan 4.320 nan 0.000 0.208 417 K C 1.424 178.026 176.600 0.003 0.000 1.048 417 K CA 3.352 59.641 56.287 0.002 0.000 0.928 417 K CB -0.151 32.349 32.500 -0.001 0.000 0.713 417 K HN 0.563 8.812 8.250 -0.002 0.000 0.442 418 K N -4.612 115.789 120.400 0.001 0.000 2.477 418 K HA 0.153 nan 4.320 nan 0.000 0.208 418 K C -1.574 175.029 176.600 0.004 0.000 1.117 418 K CA -0.365 55.923 56.287 0.002 0.000 1.039 418 K CB 1.190 33.690 32.500 -0.001 0.000 0.937 418 K HN 0.111 8.360 8.250 -0.001 0.000 0.570 419 c N -4.851 113.751 118.600 0.003 0.000 3.241 419 c HA 0.559 nan 4.570 nan 0.000 0.312 419 c C -1.839 172.254 174.090 0.004 0.000 1.350 419 c CA -3.072 53.259 56.329 0.004 0.000 1.415 419 c CB 3.176 45.686 42.510 -0.000 0.000 1.770 419 c HN -0.583 7.648 8.230 0.002 0.000 0.466 420 D N -0.294 120.110 120.400 0.007 0.000 2.177 420 D HA 0.527 nan 4.640 nan 0.000 0.247 420 D C -0.950 175.333 176.300 -0.029 0.000 1.063 420 D CA -0.886 53.117 54.000 0.005 0.000 0.867 420 D CB 1.678 42.496 40.800 0.029 0.000 1.168 420 D HN -0.130 8.247 8.370 0.011 0.000 0.445 421 V N 3.127 123.006 119.914 -0.058 0.000 2.347 421 V HA 0.378 nan 4.120 nan 0.000 0.280 421 V C -2.261 173.707 176.094 -0.209 0.000 1.021 421 V CA -3.673 58.545 62.300 -0.136 0.000 0.847 421 V CB 1.504 33.245 31.823 -0.136 0.000 0.990 421 V HN 0.648 8.818 8.190 -0.034 0.000 0.444 422 P HA 0.592 nan 4.420 nan 0.000 0.285 422 P C -1.518 175.474 177.300 -0.513 0.000 1.259 422 P CA -0.991 61.927 63.100 -0.303 0.000 0.794 422 P CB 0.511 32.100 31.700 -0.187 0.000 0.940 423 c N 1.415 119.690 118.600 -0.541 0.000 2.994 423 c HA 0.888 nan 4.570 nan 0.000 0.304 423 c C -1.037 172.881 174.090 -0.286 0.000 1.273 423 c CA -1.190 54.802 56.329 -0.562 0.000 1.537 423 c CB 4.594 46.461 42.510 -1.071 0.000 2.001 423 c HN 0.650 8.556 8.230 -0.541 0.000 0.471 424 I N 0.374 120.956 120.570 0.020 0.000 2.509 424 I HA 0.599 nan 4.170 nan 0.000 0.293 424 I C -1.483 174.633 176.117 -0.002 0.000 1.020 424 I CA -1.307 59.995 61.300 0.004 0.000 1.088 424 I CB 3.740 41.746 38.000 0.011 0.000 1.267 424 I HN 0.804 9.110 8.210 0.161 0.000 0.430 425 G N 4.729 113.304 108.800 -0.375 0.000 2.454 425 G HA2 0.899 nan 3.960 nan 0.000 0.329 425 G HA3 0.899 nan 3.960 nan 0.000 0.329 425 G C -2.654 171.868 174.900 -0.629 0.000 1.177 425 G CA -2.077 42.734 45.100 -0.481 0.000 0.951 425 G HN 0.399 8.252 8.290 -0.728 0.000 0.485 426 I N -0.825 119.671 120.570 -0.123 0.000 2.478 426 I HA 0.355 nan 4.170 nan 0.000 0.287 426 I C -1.742 174.499 176.117 0.206 0.000 1.042 426 I CA -0.907 60.426 61.300 0.055 0.000 1.067 426 I CB 3.622 41.678 38.000 0.093 0.000 1.233 426 I HN 0.713 8.934 8.210 0.018 0.000 0.431 427 E N 7.948 128.339 120.200 0.318 0.000 2.257 427 E HA 0.185 nan 4.350 nan 0.000 0.278 427 E C -1.475 175.214 176.600 0.148 0.000 1.049 427 E CA -0.398 56.165 56.400 0.271 0.000 0.876 427 E CB 1.466 31.366 29.700 0.333 0.000 1.035 427 E HN 0.754 9.338 8.360 0.373 0.000 0.419 428 M N 7.431 127.029 119.600 -0.004 0.000 2.027 428 M HA 0.246 nan 4.480 nan 0.000 0.329 428 M C -1.634 174.399 176.300 -0.446 0.000 0.971 428 M CA -1.207 54.028 55.300 -0.107 0.000 0.933 428 M CB 1.298 33.875 32.600 -0.039 0.000 1.392 428 M HN 0.581 8.864 8.290 -0.011 0.000 0.394 429 V N 4.108 123.570 119.914 -0.753 0.000 2.530 429 V HA 0.061 nan 4.120 nan 0.000 0.282 429 V C 0.035 175.577 176.094 -0.920 0.000 1.048 429 V CA -0.506 61.123 62.300 -1.119 0.000 0.997 429 V CB 0.195 30.787 31.823 -2.052 0.000 0.987 429 V HN 0.426 8.148 8.190 -0.781 0.000 0.477 430 H N 7.473 126.215 119.070 -0.547 0.000 2.911 430 H HA 0.076 nan 4.556 nan 0.000 0.273 430 H C -1.324 173.623 175.328 -0.635 0.000 1.157 430 H CA -1.098 54.667 56.048 -0.472 0.000 1.402 430 H CB -0.408 29.096 29.762 -0.430 0.000 1.463 430 H HN 0.865 8.512 8.280 -0.873 0.109 0.475 431 D N 4.235 124.425 120.400 -0.350 0.000 2.381 431 D HA 0.110 nan 4.640 nan 0.000 0.235 431 D C -0.613 175.610 176.300 -0.129 0.000 1.068 431 D CA -0.912 52.967 54.000 -0.201 0.000 0.832 431 D CB 0.927 41.752 40.800 0.042 0.000 1.101 431 D HN -0.098 8.141 8.370 -0.218 0.000 0.515 432 G N 4.498 113.192 108.800 -0.178 0.000 3.863 432 G HA2 0.266 nan 3.960 nan 0.000 0.290 432 G HA3 0.266 nan 3.960 nan 0.000 0.290 432 G C -1.061 173.785 174.900 -0.090 0.000 1.018 432 G CA -1.049 43.954 45.100 -0.161 0.000 0.824 432 G HN 0.313 8.490 8.290 -0.189 0.000 0.507 433 G N 0.311 109.096 108.800 -0.026 0.000 2.782 433 G HA2 -0.368 nan 3.960 nan 0.000 0.228 433 G HA3 -0.368 nan 3.960 nan 0.000 0.228 433 G C -0.766 174.097 174.900 -0.062 0.000 1.372 433 G CA -0.531 44.556 45.100 -0.023 0.000 0.862 433 G HN -0.689 7.800 8.290 0.028 -0.182 0.547 434 K N 1.491 121.856 120.400 -0.058 0.000 2.280 434 K HA -0.276 nan 4.320 nan 0.000 0.202 434 K C 0.577 177.162 176.600 -0.025 0.000 1.047 434 K CA 2.267 58.519 56.287 -0.059 0.000 0.942 434 K CB -0.329 32.143 32.500 -0.045 0.000 0.739 434 K HN 0.406 8.631 8.250 -0.042 0.000 0.457 435 K N -6.243 114.145 120.400 -0.020 0.000 2.418 435 K HA 0.018 nan 4.320 nan 0.000 0.195 435 K C 0.573 177.189 176.600 0.026 0.000 1.035 435 K CA 0.421 56.712 56.287 0.007 0.000 1.003 435 K CB -0.021 32.480 32.500 0.001 0.000 0.793 435 K HN -0.110 8.061 8.250 -0.032 0.060 0.494 436 T N -0.038 114.498 114.554 -0.030 0.000 2.669 436 T HA 0.254 nan 4.350 nan 0.000 0.283 436 T C -1.470 173.151 174.700 -0.131 0.000 1.019 436 T CA -1.333 60.740 62.100 -0.044 0.000 1.039 436 T CB 1.627 70.379 68.868 -0.193 0.000 1.374 436 T HN -0.433 7.723 8.240 -0.069 0.042 0.523 437 W N -1.135 119.936 121.300 -0.381 0.000 2.112 437 W HA 0.071 nan 4.660 nan 0.000 0.349 437 W C -1.473 174.935 176.519 -0.186 0.000 1.289 437 W CA -1.549 55.521 57.345 -0.458 0.000 1.256 437 W CB 0.499 29.339 29.460 -1.035 0.000 1.148 437 W HN 0.106 8.006 8.180 -0.466 0.000 0.590 438 H N 2.585 121.604 119.070 -0.084 0.000 2.823 438 H HA 0.212 nan 4.556 nan 0.000 0.332 438 H C -2.061 173.268 175.328 0.003 0.000 0.980 438 H CA -0.198 55.737 56.048 -0.189 0.000 1.286 438 H CB 2.269 31.933 29.762 -0.162 0.000 1.541 438 H HN -0.450 7.962 8.280 0.220 0.000 0.521 439 S N 4.677 120.301 115.700 -0.126 0.000 2.843 439 S HA 0.597 nan 4.470 nan 0.000 0.301 439 S C -2.752 171.748 174.600 -0.165 0.000 1.206 439 S CA -2.056 56.142 58.200 -0.002 0.000 0.875 439 S CB 2.967 66.256 63.200 0.149 0.000 1.248 439 S HN -0.347 7.760 8.310 -0.338 0.000 0.555 440 A N -2.058 120.755 122.820 -0.012 0.000 2.549 440 A HA 0.631 nan 4.320 nan 0.000 0.297 440 A C -2.460 175.151 177.584 0.045 0.000 1.061 440 A CA -1.100 50.822 52.037 -0.192 0.000 0.690 440 A CB 3.161 22.073 19.000 -0.147 0.000 1.287 440 A HN 0.143 8.414 8.150 0.201 0.000 0.402 441 A N 0.504 123.296 122.820 -0.047 0.000 2.269 441 A HA 0.680 nan 4.320 nan 0.000 0.319 441 A C -1.276 176.382 177.584 0.124 0.000 1.110 441 A CA -1.888 50.221 52.037 0.121 0.000 0.847 441 A CB 2.136 21.212 19.000 0.126 0.000 1.161 441 A HN 0.637 8.507 8.150 -0.289 0.107 0.497 442 T N 0.644 115.308 114.554 0.183 0.000 2.840 442 T HA 0.646 nan 4.350 nan 0.000 0.287 442 T C -2.059 172.729 174.700 0.147 0.000 0.991 442 T CA -0.376 61.849 62.100 0.207 0.000 0.964 442 T CB 1.458 70.477 68.868 0.251 0.000 0.954 442 T HN 0.310 8.662 8.240 0.186 0.000 0.438 443 A N 6.875 129.785 122.820 0.150 0.000 2.324 443 A HA 1.140 nan 4.320 nan 0.000 0.330 443 A C -2.480 175.207 177.584 0.172 0.000 1.165 443 A CA -2.382 49.746 52.037 0.153 0.000 0.813 443 A CB 2.296 21.423 19.000 0.212 0.000 1.197 443 A HN 1.021 9.268 8.150 0.162 0.000 0.484 444 I N 0.928 121.573 120.570 0.125 0.000 2.498 444 I HA 0.589 nan 4.170 nan 0.000 0.290 444 I C -2.020 174.098 176.117 0.003 0.000 1.032 444 I CA -0.529 60.867 61.300 0.160 0.000 1.073 444 I CB 3.601 41.712 38.000 0.185 0.000 1.251 444 I HN 0.217 8.450 8.210 0.038 0.000 0.426 445 Y N 5.099 125.442 120.300 0.072 0.000 2.409 445 Y HA 0.614 nan 4.550 nan 0.000 0.343 445 Y C -1.607 174.280 175.900 -0.022 0.000 0.973 445 Y CA -1.223 56.927 58.100 0.082 0.000 1.064 445 Y CB 3.821 42.384 38.460 0.172 0.000 1.207 445 Y HN 0.504 8.976 8.280 0.320 0.000 0.452 446 c N 1.344 119.834 118.600 -0.183 0.000 2.898 446 c HA 0.741 nan 4.570 nan 0.000 0.304 446 c C -1.387 172.075 174.090 -1.047 0.000 1.237 446 c CA -1.414 54.529 56.329 -0.644 0.000 1.529 446 c CB 4.453 46.714 42.510 -0.414 0.000 2.021 446 c HN 0.662 8.803 8.230 -0.149 0.000 0.474 447 L N 2.057 122.333 121.223 -1.580 0.000 2.559 447 L HA 0.020 nan 4.340 nan 0.000 0.274 447 L C -1.437 175.139 176.870 -0.491 0.000 1.205 447 L CA 1.650 55.820 54.840 -1.116 0.000 0.907 447 L CB 0.598 42.146 42.059 -0.851 0.000 1.153 447 L HN 0.316 7.592 8.230 -1.590 0.000 0.490 448 M N 7.562 126.990 119.600 -0.287 0.000 2.265 448 M HA 0.133 nan 4.480 nan 0.000 0.251 448 M C -1.218 175.038 176.300 -0.073 0.000 1.005 448 M CA -0.148 55.056 55.300 -0.159 0.000 0.998 448 M CB 1.782 34.295 32.600 -0.145 0.000 2.070 448 M HN 0.605 8.747 8.290 -0.246 0.000 0.476 449 G N 5.218 113.990 108.800 -0.045 0.000 2.569 449 G HA2 -0.447 nan 3.960 nan 0.000 0.259 449 G HA3 -0.447 nan 3.960 nan 0.000 0.259 449 G C -2.197 172.715 174.900 0.019 0.000 1.263 449 G CA 0.365 45.458 45.100 -0.012 0.000 0.928 449 G HN 0.436 8.693 8.290 -0.056 0.000 0.572 450 S N -0.653 115.065 115.700 0.030 0.000 2.811 450 S HA 0.829 nan 4.470 nan 0.000 0.311 450 S C -0.433 174.203 174.600 0.060 0.000 1.152 450 S CA -1.335 56.898 58.200 0.056 0.000 0.864 450 S CB 2.995 66.222 63.200 0.044 0.000 1.226 450 S HN 0.071 8.393 8.310 0.020 0.000 0.541 451 G N 0.684 109.527 108.800 0.071 0.000 2.503 451 G HA2 -0.228 nan 3.960 nan 0.000 0.235 451 G HA3 -0.228 nan 3.960 nan 0.000 0.235 451 G C -2.181 172.774 174.900 0.091 0.000 1.179 451 G CA -0.307 44.832 45.100 0.065 0.000 0.944 451 G HN 0.094 8.430 8.290 0.077 0.000 0.580 452 Q N -1.225 118.627 119.800 0.087 0.000 2.458 452 Q HA 0.235 nan 4.340 nan 0.000 0.282 452 Q C -1.029 175.041 176.000 0.117 0.000 1.106 452 Q CA -1.883 53.987 55.803 0.111 0.000 0.814 452 Q CB 2.245 31.041 28.738 0.097 0.000 1.425 452 Q HN -0.060 8.252 8.270 0.069 0.000 0.437 453 L N 0.482 121.790 121.223 0.141 0.000 2.499 453 L HA -0.064 nan 4.340 nan 0.000 0.273 453 L C -0.737 176.228 176.870 0.159 0.000 1.195 453 L CA 0.940 55.880 54.840 0.166 0.000 0.882 453 L CB 0.315 42.468 42.059 0.157 0.000 1.133 453 L HN 0.424 8.739 8.230 0.142 0.000 0.483 454 L N 5.828 127.157 121.223 0.177 0.000 2.500 454 L HA 0.218 nan 4.340 nan 0.000 0.219 454 L C -0.332 176.717 176.870 0.299 0.000 1.057 454 L CA 0.135 55.069 54.840 0.157 0.000 0.854 454 L CB 0.815 42.900 42.059 0.043 0.000 1.078 454 L HN 0.172 8.784 8.230 0.191 -0.268 0.480 455 W N -2.419 118.965 121.300 0.140 0.000 3.118 455 W HA 0.140 nan 4.660 nan 0.000 0.328 455 W C -1.971 174.675 176.519 0.211 0.000 1.239 455 W CA -1.704 55.719 57.345 0.131 0.000 1.176 455 W CB 3.046 32.559 29.460 0.089 0.000 1.433 455 W HN -0.467 7.975 8.180 0.437 0.000 0.562 456 D N -0.229 120.286 120.400 0.191 0.000 2.437 456 D HA 0.499 nan 4.640 nan 0.000 0.259 456 D C -1.422 174.882 176.300 0.007 0.000 1.118 456 D CA -1.389 52.680 54.000 0.114 0.000 1.017 456 D CB 2.192 42.999 40.800 0.012 0.000 1.120 456 D HN 0.023 8.398 8.370 0.009 0.000 0.541 457 T N 0.012 114.611 114.554 0.075 0.000 2.792 457 T HA 0.397 nan 4.350 nan 0.000 0.280 457 T C -1.068 173.628 174.700 -0.006 0.000 0.990 457 T CA -0.103 62.021 62.100 0.040 0.000 0.960 457 T CB 1.075 70.046 68.868 0.172 0.000 0.939 457 T HN -0.034 8.274 8.240 0.114 0.000 0.439 458 V N -0.471 119.413 119.914 -0.050 0.000 2.769 458 V HA 0.690 nan 4.120 nan 0.000 0.312 458 V C -0.127 175.972 176.094 0.008 0.000 1.058 458 V CA -2.754 59.531 62.300 -0.026 0.000 0.952 458 V CB 1.930 33.715 31.823 -0.064 0.000 1.019 458 V HN 0.081 8.222 8.190 -0.081 0.000 0.445 459 T N -2.478 112.105 114.554 0.048 0.000 3.014 459 T HA 0.082 nan 4.350 nan 0.000 0.263 459 T C 1.433 176.158 174.700 0.041 0.000 1.078 459 T CA 1.443 63.599 62.100 0.092 0.000 1.135 459 T CB 0.891 69.906 68.868 0.245 0.000 0.895 459 T HN 0.338 8.882 8.240 0.054 -0.271 0.480 460 G N 1.367 110.174 108.800 0.010 0.000 2.148 460 G HA2 -0.381 nan 3.960 nan 0.000 0.254 460 G HA3 -0.381 nan 3.960 nan 0.000 0.254 460 G C -0.980 173.895 174.900 -0.041 0.000 0.981 460 G CA 0.691 45.776 45.100 -0.026 0.000 0.670 460 G HN 0.201 8.502 8.290 0.019 0.000 0.528 461 V N 0.291 120.188 119.914 -0.029 0.000 2.439 461 V HA 0.097 nan 4.120 nan 0.000 0.282 461 V C -0.639 175.423 176.094 -0.054 0.000 1.039 461 V CA 0.002 62.248 62.300 -0.089 0.000 0.913 461 V CB 0.416 32.075 31.823 -0.274 0.000 0.983 461 V HN -0.641 7.532 8.190 0.020 0.029 0.460 462 D N 5.884 126.261 120.400 -0.039 0.000 2.392 462 D HA 0.141 nan 4.640 nan 0.000 0.228 462 D C 0.335 176.645 176.300 0.017 0.000 1.074 462 D CA -1.085 52.907 54.000 -0.014 0.000 0.838 462 D CB 1.227 42.023 40.800 -0.006 0.000 1.067 462 D HN 0.203 8.546 8.370 -0.045 0.000 0.511 463 M N 4.744 124.347 119.600 0.004 0.000 2.549 463 M HA -0.211 nan 4.480 nan 0.000 0.260 463 M C 0.457 176.813 176.300 0.093 0.000 1.076 463 M CA 1.786 57.113 55.300 0.045 0.000 1.090 463 M CB 0.008 32.509 32.600 -0.166 0.000 1.418 463 M HN 0.580 8.854 8.290 -0.028 0.000 0.486 464 A N -1.624 121.229 122.820 0.055 0.000 2.169 464 A HA -0.003 nan 4.320 nan 0.000 0.212 464 A C 0.044 177.679 177.584 0.086 0.000 1.153 464 A CA 0.616 52.691 52.037 0.063 0.000 0.756 464 A CB 0.145 19.164 19.000 0.032 0.000 0.813 464 A HN -0.234 8.229 8.150 0.032 -0.294 0.471 465 L N 0.000 121.272 121.223 0.082 0.000 2.949 465 L HA 0.000 nan 4.340 nan 0.000 0.249 465 L CA 0.000 54.877 54.840 0.062 0.000 0.813 465 L CB 0.000 42.079 42.059 0.033 0.000 0.961 465 L HN 0.000 8.233 8.230 0.081 0.046 0.502