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 1c4r_1_G DATA FIRST_RESID 81 DATA SEQUENCE GHAGTTYIFS KGGGQITYKW PPNDRPSTRA DRLAIGFSTV QKEAVLVRVD DATA SEQUENCE SSSGLGDYLE LHIHQGKIGV KFNVGTDDIA IEESNAIIND GKYHVVRFTR DATA SEQUENCE SGGNATLQVD SWPVIERYPA XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE GRQLTIFNSQ ATIIIGGKEQ GQPFQGQLSG LYYNGLKVLN MAAENDANIA DATA SEQUENCE IVGNVRLVGE VP 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 81 G HA2 0.000 nan 3.960 nan 0.000 0.244 81 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 81 G C 0.000 174.313 174.900 -0.979 0.000 0.946 81 G CA 0.000 44.442 45.100 -1.096 0.000 0.502 82 H N -1.553 116.846 119.070 -1.119 0.000 2.960 82 H HA 0.060 4.616 4.556 0.000 0.000 0.325 82 H C 0.254 175.478 175.328 -0.173 0.000 1.301 82 H CA 0.770 56.595 56.048 -0.371 0.000 1.190 82 H CB -1.700 27.926 29.762 -0.226 0.000 1.462 82 H HN 1.658 nan 8.280 nan 0.000 0.442 83 A N -0.637 122.181 122.820 -0.003 0.000 2.413 83 A HA 0.759 5.079 4.320 0.000 0.000 0.307 83 A C 0.891 178.500 177.584 0.041 0.000 1.087 83 A CA -0.144 51.893 52.037 -0.001 0.000 0.750 83 A CB 1.644 20.625 19.000 -0.032 0.000 1.296 83 A HN 1.516 nan 8.150 nan 0.000 0.423 84 G N 1.512 110.330 108.800 0.030 0.000 2.799 84 G HA2 0.261 4.221 3.960 0.000 0.000 0.271 84 G HA3 0.261 4.221 3.960 0.000 0.000 0.271 84 G C 0.178 175.122 174.900 0.073 0.000 1.067 84 G CA 0.289 45.419 45.100 0.050 0.000 1.251 84 G HN 2.437 nan 8.290 nan 0.000 0.560 85 T N -0.748 113.831 114.554 0.042 0.000 0.554 85 T HA -0.002 4.348 4.350 0.000 0.000 0.772 85 T C 0.474 175.214 174.700 0.067 0.000 0.992 85 T CA 1.372 63.494 62.100 0.035 0.000 4.069 85 T CB -0.541 68.385 68.868 0.095 0.000 2.298 85 T HN 1.654 nan 8.240 nan 0.000 0.397 86 T N 3.399 117.925 114.554 -0.045 0.000 2.912 86 T HA 0.637 4.987 4.350 0.000 0.000 0.299 86 T C -1.106 173.498 174.700 -0.160 0.000 1.052 86 T CA -0.664 61.425 62.100 -0.019 0.000 0.996 86 T CB 1.252 70.047 68.868 -0.123 0.000 1.070 86 T HN 0.490 nan 8.240 nan 0.000 0.465 87 Y N 0.848 121.186 120.300 0.064 0.000 2.536 87 Y HA 0.695 5.245 4.550 0.000 0.000 0.347 87 Y C -0.129 175.838 175.900 0.112 0.000 1.000 87 Y CA -1.207 56.909 58.100 0.027 0.000 1.051 87 Y CB 1.532 39.987 38.460 -0.009 0.000 1.259 87 Y HN 0.461 nan 8.280 nan 0.000 0.468 88 I N 2.921 123.567 120.570 0.127 0.000 2.433 88 I HA 0.333 4.503 4.170 0.000 0.000 0.292 88 I C -1.409 174.753 176.117 0.075 0.000 1.001 88 I CA -0.685 60.728 61.300 0.189 0.000 1.119 88 I CB 1.291 39.335 38.000 0.074 0.000 1.289 88 I HN 0.355 nan 8.210 nan 0.000 0.438 89 F N 3.745 123.793 119.950 0.165 0.000 2.426 89 F HA 0.449 4.976 4.527 -0.000 0.000 0.348 89 F C 0.387 176.212 175.800 0.041 0.000 1.124 89 F CA -0.403 57.675 58.000 0.132 0.000 1.008 89 F CB 1.692 40.827 39.000 0.226 0.000 1.139 89 F HN 0.287 nan 8.300 nan 0.000 0.452 90 S N 1.676 117.463 115.700 0.145 0.000 2.664 90 S HA 0.396 4.866 4.470 0.000 0.000 0.304 90 S C -0.537 174.102 174.600 0.066 0.000 1.099 90 S CA -1.272 56.974 58.200 0.077 0.000 1.003 90 S CB 1.504 64.729 63.200 0.041 0.000 1.092 90 S HN 0.505 nan 8.310 nan 0.000 0.525 91 K N 0.524 120.947 120.400 0.038 0.000 2.464 91 K HA 0.022 4.342 4.320 0.000 0.000 0.265 91 K C 1.176 177.799 176.600 0.038 0.000 1.055 91 K CA 1.416 57.721 56.287 0.030 0.000 1.161 91 K CB -0.540 31.971 32.500 0.019 0.000 0.804 91 K HN 0.999 nan 8.250 nan 0.000 0.486 92 G N 1.969 110.795 108.800 0.043 0.000 2.278 92 G HA2 -0.115 3.845 3.960 0.000 0.000 0.210 92 G HA3 -0.115 3.845 3.960 0.000 0.000 0.210 92 G C 0.446 175.386 174.900 0.067 0.000 1.000 92 G CA -0.159 44.968 45.100 0.045 0.000 0.635 92 G HN 1.415 nan 8.290 nan 0.000 0.495 93 G N -0.902 107.959 108.800 0.100 0.000 2.787 93 G HA2 0.519 4.479 3.960 0.000 0.000 0.685 93 G HA3 0.519 4.479 3.960 0.000 0.000 0.685 93 G C 0.598 175.603 174.900 0.173 0.000 1.437 93 G CA 0.746 45.944 45.100 0.164 0.000 0.872 93 G HN 2.323 nan 8.290 nan 0.000 0.566 94 G N -1.189 107.783 108.800 0.288 0.000 2.721 94 G HA2 0.888 4.848 3.960 0.000 0.000 0.296 94 G HA3 0.888 4.848 3.960 0.000 0.000 0.296 94 G C -0.966 174.110 174.900 0.293 0.000 1.383 94 G CA 0.655 45.877 45.100 0.204 0.000 0.788 94 G HN 1.323 nan 8.290 nan 0.000 0.500 95 Q N -0.799 119.111 119.800 0.184 0.000 2.403 95 Q HA 0.495 4.835 4.340 0.000 0.000 0.267 95 Q C -1.959 174.085 176.000 0.072 0.000 0.991 95 Q CA -0.600 55.312 55.803 0.182 0.000 0.906 95 Q CB 2.173 30.971 28.738 0.101 0.000 1.422 95 Q HN 0.538 nan 8.270 nan 0.000 0.400 96 I N 2.685 123.296 120.570 0.069 0.000 2.406 96 I HA 0.456 4.626 4.170 0.000 0.000 0.290 96 I C -0.752 175.354 176.117 -0.018 0.000 0.999 96 I CA -0.629 60.649 61.300 -0.037 0.000 1.124 96 I CB 2.279 40.207 38.000 -0.120 0.000 1.289 96 I HN 0.529 nan 8.210 nan 0.000 0.441 97 T N 5.178 119.715 114.554 -0.029 0.000 2.840 97 T HA 0.311 4.661 4.350 0.000 0.000 0.287 97 T C -1.087 173.593 174.700 -0.034 0.000 0.991 97 T CA -0.446 61.638 62.100 -0.028 0.000 0.964 97 T CB 0.967 69.814 68.868 -0.034 0.000 0.954 97 T HN 0.316 nan 8.240 nan 0.000 0.438 98 Y N 3.134 123.333 120.300 -0.169 0.000 2.328 98 Y HA 0.544 5.094 4.550 0.000 0.000 0.337 98 Y C -0.226 175.525 175.900 -0.248 0.000 1.008 98 Y CA -0.855 57.098 58.100 -0.245 0.000 1.129 98 Y CB 0.789 39.031 38.460 -0.363 0.000 1.185 98 Y HN 0.400 nan 8.280 nan 0.000 0.476 99 K N 6.949 126.790 120.400 -0.930 0.000 2.425 99 K HA 0.145 4.465 4.320 0.000 0.000 0.259 99 K C -0.953 175.201 176.600 -0.743 0.000 0.978 99 K CA -0.667 55.263 56.287 -0.594 0.000 0.883 99 K CB 0.943 33.275 32.500 -0.280 0.000 1.110 99 K HN 0.650 nan 8.250 nan 0.000 0.436 100 W N 4.581 125.577 121.300 -0.507 0.000 2.170 100 W HA 0.038 4.698 4.660 -0.000 0.000 0.342 100 W C -1.858 174.557 176.519 -0.173 0.000 1.294 100 W CA -1.253 55.938 57.345 -0.256 0.000 1.246 100 W CB 0.155 29.591 29.460 -0.040 0.000 1.156 100 W HN 0.324 nan 8.180 nan 0.000 0.572 101 P HA 0.094 nan 4.420 nan 0.000 0.275 101 P C -2.026 175.319 177.300 0.075 0.000 1.227 101 P CA -1.105 62.032 63.100 0.060 0.000 0.781 101 P CB 0.651 32.383 31.700 0.052 0.000 0.906 102 P HA -0.269 nan 4.420 nan 0.000 0.222 102 P C 1.030 178.336 177.300 0.010 0.000 1.157 102 P CA 1.847 64.959 63.100 0.020 0.000 0.905 102 P CB -0.169 31.536 31.700 0.009 0.000 0.792 103 N N -1.373 117.336 118.700 0.015 0.000 2.494 103 N HA -0.067 4.673 4.740 0.000 0.000 0.182 103 N C 0.367 175.875 175.510 -0.002 0.000 1.076 103 N CA 0.966 54.018 53.050 0.003 0.000 0.908 103 N CB -0.486 38.006 38.487 0.008 0.000 0.967 103 N HN 0.277 nan 8.380 nan 0.000 0.449 104 D N 0.247 120.661 120.400 0.023 0.000 2.388 104 D HA 0.066 4.706 4.640 0.000 0.000 0.221 104 D C 0.041 176.267 176.300 -0.124 0.000 1.133 104 D CA -0.108 53.900 54.000 0.015 0.000 0.831 104 D CB 0.221 41.106 40.800 0.142 0.000 0.962 104 D HN 0.099 nan 8.370 nan 0.000 0.502 105 R N 2.581 122.975 120.500 -0.177 0.000 2.404 105 R HA 0.138 4.478 4.340 0.000 0.000 0.315 105 R C -2.120 173.899 176.300 -0.468 0.000 1.032 105 R CA -0.789 55.064 56.100 -0.411 0.000 0.992 105 R CB 0.249 30.402 30.300 -0.245 0.000 0.959 105 R HN 0.085 nan 8.270 nan 0.000 0.428 106 P HA 0.128 nan 4.420 nan 0.000 0.281 106 P C -0.927 176.121 177.300 -0.420 0.000 1.249 106 P CA -0.464 62.350 63.100 -0.476 0.000 0.810 106 P CB 1.446 32.863 31.700 -0.471 0.000 1.008 107 S N 0.463 116.009 115.700 -0.258 0.000 2.519 107 S HA 0.586 5.056 4.470 0.000 0.000 0.309 107 S C -0.116 174.414 174.600 -0.118 0.000 1.100 107 S CA -0.464 57.625 58.200 -0.185 0.000 1.059 107 S CB 1.221 64.352 63.200 -0.115 0.000 1.008 107 S HN 0.669 nan 8.310 nan 0.000 0.478 108 T N -0.579 113.933 114.554 -0.071 0.000 2.907 108 T HA 0.536 4.886 4.350 0.000 0.000 0.292 108 T C 0.603 175.319 174.700 0.026 0.000 1.043 108 T CA -1.146 60.938 62.100 -0.026 0.000 1.003 108 T CB 1.522 70.371 68.868 -0.031 0.000 1.084 108 T HN 0.611 nan 8.240 nan 0.000 0.483 109 R N 0.811 121.313 120.500 0.003 0.000 2.280 109 R HA 0.673 5.013 4.340 0.000 0.000 0.195 109 R C 0.505 176.798 176.300 -0.011 0.000 0.935 109 R CA -0.043 56.060 56.100 0.006 0.000 1.033 109 R CB 0.240 30.538 30.300 -0.003 0.000 0.964 109 R HN 0.746 nan 8.270 nan 0.000 0.489 110 A N 0.513 123.320 122.820 -0.022 0.000 2.594 110 A HA 0.561 4.881 4.320 0.000 0.000 0.295 110 A C -1.899 175.658 177.584 -0.046 0.000 1.071 110 A CA -0.975 51.028 52.037 -0.057 0.000 0.685 110 A CB 1.599 20.557 19.000 -0.070 0.000 1.285 110 A HN 0.169 nan 8.150 nan 0.000 0.405 111 D N 0.598 120.959 120.400 -0.066 0.000 2.671 111 D HA 0.525 5.165 4.640 0.000 0.000 0.232 111 D C -0.950 175.320 176.300 -0.051 0.000 1.114 111 D CA -0.330 53.655 54.000 -0.024 0.000 0.858 111 D CB 2.081 42.989 40.800 0.180 0.000 1.544 111 D HN 0.509 nan 8.370 nan 0.000 0.471 112 R N 1.066 121.545 120.500 -0.034 0.000 2.476 112 R HA 0.560 4.901 4.340 0.000 0.000 0.305 112 R C -1.165 175.269 176.300 0.223 0.000 0.965 112 R CA -0.921 55.219 56.100 0.066 0.000 0.867 112 R CB 2.113 32.471 30.300 0.096 0.000 1.176 112 R HN 0.239 nan 8.270 nan 0.000 0.447 113 L N 2.132 123.559 121.223 0.340 0.000 2.409 113 L HA 0.820 5.160 4.340 0.000 0.000 0.272 113 L C -1.493 175.561 176.870 0.307 0.000 0.980 113 L CA -0.244 54.850 54.840 0.423 0.000 0.826 113 L CB 2.049 44.399 42.059 0.485 0.000 1.268 113 L HN 0.787 nan 8.230 nan 0.000 0.407 114 A N 5.570 128.567 122.820 0.294 0.000 2.475 114 A HA 0.918 5.238 4.320 0.000 0.000 0.301 114 A C -1.470 176.221 177.584 0.179 0.000 1.059 114 A CA -0.488 51.662 52.037 0.188 0.000 0.710 114 A CB 1.424 20.496 19.000 0.120 0.000 1.288 114 A HN 0.928 nan 8.150 nan 0.000 0.408 115 I N 0.287 120.940 120.570 0.138 0.000 2.800 115 I HA 0.611 4.781 4.170 0.000 0.000 0.294 115 I C -0.252 175.962 176.117 0.163 0.000 1.538 115 I CA -0.412 60.977 61.300 0.147 0.000 1.010 115 I CB 2.081 40.136 38.000 0.091 0.000 1.381 115 I HN 0.942 nan 8.210 nan 0.000 0.462 116 G N 4.994 113.908 108.800 0.191 0.000 2.379 116 G HA2 0.719 4.679 3.960 0.000 0.000 0.327 116 G HA3 0.719 4.679 3.960 0.000 0.000 0.327 116 G C -1.403 173.642 174.900 0.242 0.000 1.145 116 G CA -0.438 44.693 45.100 0.051 0.000 0.905 116 G HN 0.671 nan 8.290 nan 0.000 0.466 117 F N 0.072 119.955 119.950 -0.111 0.000 2.711 117 F HA 0.840 5.367 4.527 0.000 0.000 0.313 117 F C -0.522 175.369 175.800 0.150 0.000 1.141 117 F CA -1.270 56.826 58.000 0.159 0.000 0.941 117 F CB 1.871 40.900 39.000 0.048 0.000 1.349 117 F HN 0.731 nan 8.300 nan 0.000 0.464 118 S N 0.569 116.533 115.700 0.441 0.000 2.543 118 S HA 0.774 5.244 4.470 0.000 0.000 0.273 118 S C -1.110 173.759 174.600 0.449 0.000 1.152 118 S CA -0.071 58.295 58.200 0.277 0.000 0.910 118 S CB 1.483 64.817 63.200 0.224 0.000 1.105 118 S HN 1.496 nan 8.310 nan 0.000 0.465 119 T N -0.132 114.626 114.554 0.340 0.000 2.722 119 T HA 0.484 4.834 4.350 0.000 0.000 0.314 119 T C -0.373 174.421 174.700 0.157 0.000 1.675 119 T CA 0.110 62.319 62.100 0.182 0.000 1.003 119 T CB 0.983 69.970 68.868 0.198 0.000 1.602 119 T HN 1.836 nan 8.240 nan 0.000 0.496 120 V N -0.151 119.803 119.914 0.067 0.000 3.432 120 V HA 0.491 4.611 4.120 0.000 0.000 0.298 120 V C 0.563 176.688 176.094 0.052 0.000 1.464 120 V CA -0.106 62.237 62.300 0.073 0.000 1.046 120 V CB -0.243 31.610 31.823 0.050 0.000 0.887 120 V HN 0.776 nan 8.190 nan 0.000 0.441 121 Q N 1.059 120.877 119.800 0.031 0.000 2.392 121 Q HA 0.272 4.612 4.340 0.000 0.000 0.262 121 Q C 0.635 176.667 176.000 0.053 0.000 1.003 121 Q CA 0.259 56.076 55.803 0.024 0.000 0.888 121 Q CB 1.259 29.995 28.738 -0.002 0.000 1.260 121 Q HN 0.422 nan 8.270 nan 0.000 0.435 122 K N 0.766 121.185 120.400 0.032 0.000 2.211 122 K HA 0.039 4.359 4.320 0.000 0.000 0.201 122 K C -0.116 176.500 176.600 0.027 0.000 1.052 122 K CA 0.728 57.026 56.287 0.018 0.000 0.973 122 K CB 0.573 33.067 32.500 -0.010 0.000 0.766 122 K HN 0.468 nan 8.250 nan 0.000 0.466 123 E N 0.095 120.321 120.200 0.043 0.000 2.234 123 E HA 0.596 4.946 4.350 0.000 0.000 0.266 123 E C -1.191 175.451 176.600 0.070 0.000 0.877 123 E CA -0.580 55.859 56.400 0.065 0.000 0.758 123 E CB 2.191 31.928 29.700 0.063 0.000 1.170 123 E HN 0.161 nan 8.360 nan 0.000 0.415 124 A N 1.415 124.286 122.820 0.084 0.000 2.569 124 A HA 0.482 4.802 4.320 0.000 0.000 0.292 124 A C -1.583 176.051 177.584 0.083 0.000 1.032 124 A CA -0.605 51.495 52.037 0.106 0.000 0.669 124 A CB 1.127 20.259 19.000 0.221 0.000 1.290 124 A HN 0.232 nan 8.150 nan 0.000 0.422 125 V N 2.785 122.730 119.914 0.052 0.000 2.417 125 V HA 0.385 4.505 4.120 0.000 0.000 0.291 125 V C 0.740 176.769 176.094 -0.108 0.000 1.024 125 V CA -0.323 61.979 62.300 0.003 0.000 0.861 125 V CB 1.265 33.091 31.823 0.005 0.000 0.985 125 V HN 0.825 nan 8.190 nan 0.000 0.436 126 L N 4.579 125.661 121.223 -0.236 0.000 2.262 126 L HA 0.358 4.698 4.340 0.000 0.000 0.197 126 L C 0.094 176.765 176.870 -0.331 0.000 1.073 126 L CA 0.819 55.385 54.840 -0.457 0.000 0.800 126 L CB 0.060 41.732 42.059 -0.645 0.000 0.987 126 L HN 0.388 nan 8.230 nan 0.000 0.470 127 V N 0.319 120.086 119.914 -0.246 0.000 2.709 127 V HA 0.474 4.594 4.120 0.000 0.000 0.308 127 V C -0.761 175.250 176.094 -0.138 0.000 1.062 127 V CA -0.649 61.540 62.300 -0.185 0.000 0.901 127 V CB 2.552 34.265 31.823 -0.183 0.000 1.003 127 V HN 0.246 nan 8.190 nan 0.000 0.425 128 R N 2.835 123.278 120.500 -0.095 0.000 2.538 128 R HA 0.777 5.117 4.340 0.000 0.000 0.292 128 R C -2.049 174.250 176.300 -0.003 0.000 1.008 128 R CA -0.396 55.685 56.100 -0.033 0.000 0.896 128 R CB 2.193 32.489 30.300 -0.006 0.000 1.187 128 R HN 0.534 nan 8.270 nan 0.000 0.440 129 V N 4.300 124.249 119.914 0.059 0.000 2.370 129 V HA 0.382 4.502 4.120 0.000 0.000 0.283 129 V C -0.486 175.818 176.094 0.351 0.000 1.023 129 V CA -0.612 61.779 62.300 0.151 0.000 0.857 129 V CB 1.580 33.468 31.823 0.108 0.000 0.985 129 V HN 0.778 nan 8.190 nan 0.000 0.443 130 D N 2.380 122.949 120.400 0.282 0.000 2.248 130 D HA 0.455 5.095 4.640 0.000 0.000 0.246 130 D C 0.012 176.448 176.300 0.226 0.000 1.027 130 D CA -0.118 54.056 54.000 0.289 0.000 0.853 130 D CB 2.387 43.288 40.800 0.169 0.000 1.243 130 D HN 0.625 nan 8.370 nan 0.000 0.462 131 S N 0.276 116.132 115.700 0.259 0.000 2.645 131 S HA 0.377 4.847 4.470 0.000 0.000 0.266 131 S C 0.596 175.246 174.600 0.083 0.000 1.258 131 S CA -0.784 57.488 58.200 0.121 0.000 0.990 131 S CB 0.921 64.243 63.200 0.205 0.000 0.967 131 S HN 0.445 nan 8.310 nan 0.000 0.556 132 S N 1.216 116.934 115.700 0.030 0.000 2.587 132 S HA 0.272 4.742 4.470 0.000 0.000 0.260 132 S C 0.246 174.870 174.600 0.040 0.000 1.353 132 S CA -0.763 57.454 58.200 0.029 0.000 0.995 132 S CB -0.244 62.958 63.200 0.003 0.000 0.912 132 S HN 0.750 nan 8.310 nan 0.000 0.568 133 S N 0.868 116.587 115.700 0.031 0.000 2.552 133 S HA 0.458 4.928 4.470 0.000 0.000 0.289 133 S C 1.484 176.101 174.600 0.028 0.000 1.304 133 S CA 0.451 58.669 58.200 0.029 0.000 1.063 133 S CB 0.020 63.231 63.200 0.019 0.000 0.848 133 S HN 1.621 nan 8.310 nan 0.000 0.499 134 G N 1.855 110.674 108.800 0.032 0.000 2.259 134 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 134 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 134 G C -0.133 174.792 174.900 0.041 0.000 1.001 134 G CA -0.321 44.797 45.100 0.030 0.000 0.627 134 G HN 0.572 nan 8.290 nan 0.000 0.501 135 L N 0.655 121.912 121.223 0.057 0.000 2.331 135 L HA 0.682 5.022 4.340 0.000 0.000 0.275 135 L C 1.647 178.582 176.870 0.108 0.000 1.022 135 L CA -0.194 54.694 54.840 0.079 0.000 0.812 135 L CB 1.801 43.914 42.059 0.091 0.000 1.257 135 L HN 0.121 nan 8.230 nan 0.000 0.435 136 G N -0.397 108.473 108.800 0.118 0.000 2.939 136 G HA2 -0.024 3.936 3.960 0.000 0.000 0.210 136 G HA3 -0.024 3.936 3.960 0.000 0.000 0.210 136 G C 0.163 175.209 174.900 0.242 0.000 1.160 136 G CA -0.244 44.950 45.100 0.156 0.000 0.770 136 G HN 0.600 nan 8.290 nan 0.000 0.543 137 D N 0.407 120.942 120.400 0.223 0.000 2.488 137 D HA 0.364 5.004 4.640 0.000 0.000 0.238 137 D C -0.097 176.421 176.300 0.364 0.000 1.138 137 D CA 0.597 54.731 54.000 0.223 0.000 0.873 137 D CB 0.428 41.466 40.800 0.397 0.000 1.183 137 D HN 0.520 nan 8.370 nan 0.000 0.458 138 Y N -0.577 119.670 120.300 -0.088 0.000 2.702 138 Y HA 0.534 5.085 4.550 0.000 0.000 0.336 138 Y C -2.358 173.365 175.900 -0.296 0.000 1.203 138 Y CA -1.606 56.470 58.100 -0.041 0.000 1.072 138 Y CB 0.898 39.379 38.460 0.034 0.000 1.327 138 Y HN 0.220 nan 8.280 nan 0.000 0.456 139 L N 2.003 123.183 121.223 -0.072 0.000 2.470 139 L HA 0.710 5.050 4.340 0.000 0.000 0.268 139 L C -1.619 175.264 176.870 0.020 0.000 0.964 139 L CA -1.036 53.700 54.840 -0.173 0.000 0.839 139 L CB 1.953 43.892 42.059 -0.200 0.000 1.276 139 L HN 0.939 nan 8.230 nan 0.000 0.403 140 E N 3.887 124.074 120.200 -0.021 0.000 2.246 140 E HA 0.523 4.873 4.350 0.000 0.000 0.266 140 E C -1.912 174.480 176.600 -0.347 0.000 0.880 140 E CA -0.856 55.502 56.400 -0.069 0.000 0.762 140 E CB 2.074 31.838 29.700 0.107 0.000 1.180 140 E HN 0.764 nan 8.360 nan 0.000 0.416 141 L N 6.484 127.505 121.223 -0.337 0.000 2.282 141 L HA 0.478 4.818 4.340 0.000 0.000 0.288 141 L C -0.951 175.727 176.870 -0.321 0.000 1.033 141 L CA 0.069 54.654 54.840 -0.425 0.000 0.807 141 L CB 0.698 42.565 42.059 -0.320 0.000 1.209 141 L HN 0.653 nan 8.230 nan 0.000 0.423 142 H N 3.271 122.245 119.070 -0.159 0.000 2.960 142 H HA 0.559 5.115 4.556 0.000 0.000 0.323 142 H C -1.372 173.895 175.328 -0.102 0.000 1.326 142 H CA -1.267 54.705 56.048 -0.127 0.000 1.124 142 H CB 1.420 31.137 29.762 -0.075 0.000 1.853 142 H HN 0.487 nan 8.280 nan 0.000 0.536 143 I N 1.661 122.329 120.570 0.163 0.000 2.389 143 I HA 0.160 4.330 4.170 0.000 0.000 0.288 143 I C -1.038 175.160 176.117 0.134 0.000 0.999 143 I CA -0.376 60.991 61.300 0.112 0.000 1.129 143 I CB 1.487 39.524 38.000 0.061 0.000 1.288 143 I HN 0.556 nan 8.210 nan 0.000 0.444 144 H N 6.153 125.226 119.070 0.005 0.000 2.823 144 H HA 0.297 4.853 4.556 -0.000 0.000 0.332 144 H C -0.773 174.552 175.328 -0.004 0.000 0.980 144 H CA -0.509 55.511 56.048 -0.046 0.000 1.286 144 H CB 0.968 30.657 29.762 -0.123 0.000 1.541 144 H HN 0.554 nan 8.280 nan 0.000 0.521 145 Q N 3.816 123.403 119.800 -0.356 0.000 2.463 145 Q HA -0.236 4.104 4.340 0.000 0.000 0.299 145 Q C 0.975 176.917 176.000 -0.096 0.000 1.353 145 Q CA 0.973 56.611 55.803 -0.276 0.000 0.828 145 Q CB -1.687 26.814 28.738 -0.396 0.000 1.157 145 Q HN 1.281 nan 8.270 nan 0.000 0.436 146 G N -0.954 107.833 108.800 -0.022 0.000 2.245 146 G HA2 -0.356 3.604 3.960 0.000 0.000 0.264 146 G HA3 -0.356 3.604 3.960 0.000 0.000 0.264 146 G C 0.081 175.022 174.900 0.069 0.000 0.985 146 G CA 0.901 46.025 45.100 0.040 0.000 0.625 146 G HN 0.244 nan 8.290 nan 0.000 0.536 147 K N 0.131 120.566 120.400 0.058 0.000 2.201 147 K HA 0.705 5.025 4.320 0.000 0.000 0.278 147 K C 0.039 176.702 176.600 0.105 0.000 1.027 147 K CA -0.823 55.520 56.287 0.093 0.000 0.909 147 K CB 1.575 34.129 32.500 0.091 0.000 1.062 147 K HN 0.271 nan 8.250 nan 0.000 0.465 148 I N 1.784 122.408 120.570 0.090 0.000 2.428 148 I HA 0.566 4.736 4.170 0.000 0.000 0.289 148 I C 0.169 176.316 176.117 0.049 0.000 1.019 148 I CA 0.645 61.959 61.300 0.024 0.000 1.351 148 I CB 0.765 38.742 38.000 -0.039 0.000 1.412 148 I HN 0.645 nan 8.210 nan 0.000 0.513 149 G N 5.393 114.207 108.800 0.023 0.000 2.645 149 G HA2 0.632 4.592 3.960 0.000 0.000 0.292 149 G HA3 0.632 4.592 3.960 0.000 0.000 0.292 149 G C -2.066 172.668 174.900 -0.277 0.000 1.415 149 G CA -0.572 44.521 45.100 -0.012 0.000 0.785 149 G HN 0.486 nan 8.290 nan 0.000 0.483 150 V N 0.256 120.012 119.914 -0.262 0.000 2.656 150 V HA 0.671 4.791 4.120 0.000 0.000 0.307 150 V C -0.366 175.561 176.094 -0.277 0.000 1.051 150 V CA -0.837 61.180 62.300 -0.471 0.000 0.893 150 V CB 1.919 33.335 31.823 -0.678 0.000 0.999 150 V HN 0.813 nan 8.190 nan 0.000 0.426 151 K N 4.612 124.842 120.400 -0.282 0.000 2.376 151 K HA 0.734 5.054 4.320 0.000 0.000 0.257 151 K C -1.450 175.068 176.600 -0.137 0.000 0.939 151 K CA -0.464 55.766 56.287 -0.095 0.000 0.809 151 K CB 1.646 34.226 32.500 0.133 0.000 1.121 151 K HN 0.593 nan 8.250 nan 0.000 0.425 152 F N 0.854 120.576 119.950 -0.380 0.000 2.650 152 F HA 0.626 5.153 4.527 0.000 0.000 0.320 152 F C -1.269 174.109 175.800 -0.704 0.000 1.091 152 F CA -1.033 56.551 58.000 -0.693 0.000 0.962 152 F CB 1.614 40.312 39.000 -0.502 0.000 1.363 152 F HN 0.378 nan 8.300 nan 0.000 0.482 153 N N 0.873 119.164 118.700 -0.682 0.000 2.503 153 N HA 0.349 5.089 4.740 0.000 0.000 0.287 153 N C -1.173 174.192 175.510 -0.241 0.000 1.096 153 N CA -0.407 52.389 53.050 -0.424 0.000 0.936 153 N CB 2.389 40.661 38.487 -0.360 0.000 1.570 153 N HN 0.936 nan 8.380 nan 0.000 0.504 154 V N 1.132 121.006 119.914 -0.067 0.000 2.940 154 V HA 0.664 4.784 4.120 0.000 0.000 0.366 154 V C 1.053 177.170 176.094 0.037 0.000 1.353 154 V CA 0.546 62.845 62.300 -0.002 0.000 1.232 154 V CB 0.028 31.884 31.823 0.055 0.000 1.278 154 V HN 0.857 nan 8.190 nan 0.000 0.546 155 G N 0.230 109.042 108.800 0.019 0.000 2.541 155 G HA2 -0.222 3.738 3.960 0.000 0.000 0.201 155 G HA3 -0.222 3.738 3.960 0.000 0.000 0.201 155 G C 0.486 175.395 174.900 0.015 0.000 1.026 155 G CA 0.437 45.556 45.100 0.031 0.000 0.687 155 G HN 0.548 nan 8.290 nan 0.000 0.492 156 T N 0.993 115.547 114.554 0.001 0.000 2.757 156 T HA 0.402 4.752 4.350 0.000 0.000 0.179 156 T C 0.115 174.797 174.700 -0.030 0.000 0.705 156 T CA 0.450 62.545 62.100 -0.008 0.000 1.952 156 T CB 0.066 68.931 68.868 -0.004 0.000 2.670 156 T HN 0.211 nan 8.240 nan 0.000 0.404 157 D N 1.906 122.273 120.400 -0.055 0.000 2.312 157 D HA 0.332 4.972 4.640 0.000 0.000 0.248 157 D C -0.877 175.330 176.300 -0.155 0.000 1.086 157 D CA -0.259 53.691 54.000 -0.082 0.000 0.948 157 D CB 0.826 41.578 40.800 -0.079 0.000 1.162 157 D HN 0.197 nan 8.370 nan 0.000 0.446 158 D N 0.745 121.058 120.400 -0.145 0.000 2.351 158 D HA 0.283 4.923 4.640 0.000 0.000 0.251 158 D C -0.102 176.007 176.300 -0.318 0.000 1.137 158 D CA 0.137 54.011 54.000 -0.209 0.000 0.879 158 D CB 0.745 41.495 40.800 -0.083 0.000 1.181 158 D HN 0.172 nan 8.370 nan 0.000 0.448 159 I N 1.720 121.926 120.570 -0.606 0.000 2.433 159 I HA 0.554 4.724 4.170 0.000 0.000 0.292 159 I C -0.177 175.612 176.117 -0.546 0.000 1.001 159 I CA -0.794 60.111 61.300 -0.658 0.000 1.119 159 I CB 1.836 39.205 38.000 -1.051 0.000 1.289 159 I HN 0.292 nan 8.210 nan 0.000 0.438 160 A N 7.380 130.056 122.820 -0.239 0.000 2.401 160 A HA 0.896 5.216 4.320 0.000 0.000 0.310 160 A C -1.139 176.445 177.584 0.001 0.000 1.075 160 A CA -0.572 51.411 52.037 -0.090 0.000 0.746 160 A CB 1.828 20.811 19.000 -0.027 0.000 1.277 160 A HN 0.739 nan 8.150 nan 0.000 0.425 161 I N 0.989 121.598 120.570 0.065 0.000 2.644 161 I HA 0.561 4.731 4.170 0.000 0.000 0.291 161 I C -1.035 175.141 176.117 0.100 0.000 1.180 161 I CA -0.175 61.187 61.300 0.104 0.000 1.040 161 I CB 1.786 39.894 38.000 0.180 0.000 1.255 161 I HN 0.950 nan 8.210 nan 0.000 0.422 162 E N 5.477 125.736 120.200 0.099 0.000 2.383 162 E HA 0.315 4.665 4.350 0.000 0.000 0.275 162 E C -1.606 175.061 176.600 0.112 0.000 0.918 162 E CA -0.699 55.764 56.400 0.105 0.000 0.764 162 E CB 1.940 31.710 29.700 0.117 0.000 1.252 162 E HN 0.488 nan 8.360 nan 0.000 0.449 163 E N 1.838 122.113 120.200 0.125 0.000 1.936 163 E HA 0.217 4.567 4.350 0.000 0.000 0.267 163 E C -0.794 175.895 176.600 0.148 0.000 1.076 163 E CA -0.038 56.459 56.400 0.161 0.000 0.870 163 E CB 0.557 30.381 29.700 0.208 0.000 1.093 163 E HN 0.453 nan 8.360 nan 0.000 0.411 164 S N 3.799 119.566 115.700 0.112 0.000 2.528 164 S HA 0.028 4.498 4.470 0.000 0.000 0.219 164 S C 0.965 175.598 174.600 0.055 0.000 0.985 164 S CA -0.040 58.209 58.200 0.081 0.000 0.914 164 S CB 0.005 63.244 63.200 0.065 0.000 0.776 164 S HN 0.552 nan 8.310 nan 0.000 0.526 165 N N 1.806 120.536 118.700 0.050 0.000 2.422 165 N HA 0.218 4.958 4.740 0.000 0.000 0.181 165 N C 0.234 175.704 175.510 -0.067 0.000 1.080 165 N CA 0.341 53.383 53.050 -0.013 0.000 0.893 165 N CB 0.341 38.806 38.487 -0.037 0.000 0.973 165 N HN 0.340 nan 8.380 nan 0.000 0.456 166 A N 0.864 123.672 122.820 -0.020 0.000 2.566 166 A HA 0.501 4.821 4.320 0.000 0.000 0.297 166 A C -0.186 177.465 177.584 0.113 0.000 1.059 166 A CA -0.885 51.117 52.037 -0.059 0.000 0.691 166 A CB 0.881 19.633 19.000 -0.413 0.000 1.282 166 A HN 0.163 nan 8.150 nan 0.000 0.401 167 I N -0.198 120.426 120.570 0.090 0.000 3.004 167 I HA 0.554 4.724 4.170 0.000 0.000 0.287 167 I C 0.464 176.678 176.117 0.162 0.000 1.144 167 I CA -0.331 61.040 61.300 0.118 0.000 1.353 167 I CB 0.518 38.570 38.000 0.086 0.000 1.417 167 I HN 0.567 nan 8.210 nan 0.000 0.602 168 I N -0.285 120.365 120.570 0.132 0.000 4.219 168 I HA 0.217 4.387 4.170 0.000 0.000 0.329 168 I C 0.104 176.358 176.117 0.229 0.000 1.427 168 I CA -0.250 61.057 61.300 0.013 0.000 1.151 168 I CB -0.801 37.156 38.000 -0.072 0.000 1.369 168 I HN 0.666 nan 8.210 nan 0.000 0.521 169 N N 1.415 120.245 118.700 0.217 0.000 3.131 169 N HA 0.069 4.809 4.740 0.000 0.000 0.312 169 N C -0.337 175.284 175.510 0.185 0.000 1.433 169 N CA -0.096 53.093 53.050 0.233 0.000 1.141 169 N CB -0.125 38.463 38.487 0.168 0.000 1.431 169 N HN 0.439 nan 8.380 nan 0.000 0.523 170 D N -1.561 118.973 120.400 0.223 0.000 2.424 170 D HA 0.194 4.834 4.640 0.000 0.000 0.220 170 D C 1.222 177.604 176.300 0.138 0.000 1.150 170 D CA -0.114 53.989 54.000 0.171 0.000 0.831 170 D CB -0.190 40.726 40.800 0.194 0.000 0.981 170 D HN 0.367 nan 8.370 nan 0.000 0.500 171 G N 0.284 109.170 108.800 0.142 0.000 2.184 171 G HA2 -0.330 3.630 3.960 0.000 0.000 0.264 171 G HA3 -0.330 3.630 3.960 0.000 0.000 0.264 171 G C 0.253 175.190 174.900 0.062 0.000 0.975 171 G CA 0.378 45.541 45.100 0.104 0.000 0.642 171 G HN 0.466 nan 8.290 nan 0.000 0.536 172 K N -0.747 119.664 120.400 0.018 0.000 2.106 172 K HA 0.531 4.851 4.320 0.000 0.000 0.246 172 K C -0.201 176.159 176.600 -0.400 0.000 0.987 172 K CA -1.022 55.174 56.287 -0.151 0.000 0.904 172 K CB 1.237 33.630 32.500 -0.179 0.000 1.071 172 K HN 0.130 nan 8.250 nan 0.000 0.453 173 Y N 2.438 122.402 120.300 -0.561 0.000 2.442 173 Y HA 0.033 4.583 4.550 -0.000 0.000 0.330 173 Y C -0.347 174.987 175.900 -0.943 0.000 1.129 173 Y CA 0.530 58.209 58.100 -0.703 0.000 1.365 173 Y CB 0.384 38.467 38.460 -0.628 0.000 1.233 173 Y HN 0.447 nan 8.280 nan 0.000 0.529 174 H N 3.796 122.068 119.070 -1.330 0.000 2.928 174 H HA 0.575 5.131 4.556 -0.000 0.000 0.371 174 H C -1.275 173.325 175.328 -1.214 0.000 1.186 174 H CA -0.852 54.514 56.048 -1.137 0.000 1.134 174 H CB 1.856 30.997 29.762 -1.034 0.000 1.824 174 H HN 0.449 nan 8.280 nan 0.000 0.554 175 V N 1.886 121.482 119.914 -0.531 0.000 2.540 175 V HA 0.264 4.384 4.120 0.000 0.000 0.302 175 V C -0.327 175.713 176.094 -0.091 0.000 1.035 175 V CA -0.760 61.373 62.300 -0.279 0.000 0.873 175 V CB 2.319 34.045 31.823 -0.162 0.000 0.992 175 V HN 0.436 nan 8.190 nan 0.000 0.428 176 V N 6.753 126.704 119.914 0.061 0.000 2.487 176 V HA 0.644 4.764 4.120 0.000 0.000 0.298 176 V C -0.409 175.725 176.094 0.067 0.000 1.028 176 V CA -0.513 61.828 62.300 0.068 0.000 0.860 176 V CB 1.771 33.662 31.823 0.113 0.000 0.991 176 V HN 0.927 nan 8.190 nan 0.000 0.427 177 R N 5.752 126.286 120.500 0.055 0.000 2.437 177 R HA 0.556 4.896 4.340 0.000 0.000 0.310 177 R C -1.535 174.845 176.300 0.132 0.000 0.955 177 R CA -0.404 55.742 56.100 0.076 0.000 0.851 177 R CB 2.311 32.620 30.300 0.015 0.000 1.161 177 R HN 0.682 nan 8.270 nan 0.000 0.446 178 F N 0.935 120.886 119.950 0.002 0.000 2.551 178 F HA 0.531 5.058 4.527 0.000 0.000 0.316 178 F C -1.000 174.787 175.800 -0.021 0.000 1.089 178 F CA -0.321 57.671 58.000 -0.013 0.000 0.915 178 F CB 2.509 41.502 39.000 -0.013 0.000 1.186 178 F HN 0.276 nan 8.300 nan 0.000 0.456 179 T N 5.984 119.866 114.554 -1.120 0.000 2.921 179 T HA 0.421 4.771 4.350 0.000 0.000 0.297 179 T C -1.481 172.485 174.700 -1.224 0.000 1.013 179 T CA -0.677 60.895 62.100 -0.881 0.000 0.990 179 T CB 1.466 70.083 68.868 -0.419 0.000 1.023 179 T HN 0.748 nan 8.240 nan 0.000 0.447 180 R N 1.968 121.955 120.500 -0.855 0.000 2.534 180 R HA 0.673 5.013 4.340 0.000 0.000 0.301 180 R C -1.227 174.869 176.300 -0.340 0.000 0.961 180 R CA -0.476 55.239 56.100 -0.641 0.000 0.871 180 R CB 1.347 31.297 30.300 -0.584 0.000 1.170 180 R HN 0.569 nan 8.270 nan 0.000 0.446 181 S N 3.140 118.690 115.700 -0.251 0.000 2.745 181 S HA 0.524 4.994 4.470 0.000 0.000 0.283 181 S C 0.210 174.770 174.600 -0.066 0.000 1.170 181 S CA 0.491 58.612 58.200 -0.132 0.000 1.119 181 S CB 0.813 63.950 63.200 -0.105 0.000 1.035 181 S HN 1.088 nan 8.310 nan 0.000 0.483 182 G N 4.183 112.959 108.800 -0.041 0.000 2.536 182 G HA2 -0.251 3.709 3.960 0.000 0.000 0.280 182 G HA3 -0.251 3.709 3.960 0.000 0.000 0.280 182 G C 0.836 175.774 174.900 0.062 0.000 1.152 182 G CA 0.190 45.300 45.100 0.016 0.000 0.970 182 G HN 1.493 nan 8.290 nan 0.000 0.549 183 G N 0.561 109.429 108.800 0.113 0.000 3.042 183 G HA2 0.374 4.334 3.960 0.000 0.000 0.212 183 G HA3 0.374 4.334 3.960 0.000 0.000 0.212 183 G C 0.486 175.531 174.900 0.243 0.000 1.166 183 G CA 0.832 46.061 45.100 0.215 0.000 0.767 183 G HN 0.651 nan 8.290 nan 0.000 0.546 184 N N 0.469 119.236 118.700 0.111 0.000 2.472 184 N HA 0.723 5.463 4.740 0.000 0.000 0.289 184 N C -0.347 175.114 175.510 -0.082 0.000 1.156 184 N CA -0.111 52.933 53.050 -0.009 0.000 0.940 184 N CB 2.041 40.457 38.487 -0.118 0.000 1.200 184 N HN 0.153 nan 8.380 nan 0.000 0.511 185 A N -0.378 122.340 122.820 -0.170 0.000 2.593 185 A HA 0.786 5.106 4.320 0.000 0.000 0.290 185 A C -0.923 176.507 177.584 -0.257 0.000 1.126 185 A CA -0.492 51.419 52.037 -0.209 0.000 0.695 185 A CB 1.526 20.620 19.000 0.156 0.000 1.290 185 A HN 0.444 nan 8.150 nan 0.000 0.414 186 T N 0.275 114.641 114.554 -0.314 0.000 2.912 186 T HA 0.640 4.990 4.350 0.000 0.000 0.299 186 T C -1.726 172.917 174.700 -0.095 0.000 1.052 186 T CA -0.196 61.790 62.100 -0.190 0.000 0.996 186 T CB 1.242 69.986 68.868 -0.206 0.000 1.070 186 T HN 1.056 nan 8.240 nan 0.000 0.465 187 L N 3.057 124.295 121.223 0.025 0.000 2.455 187 L HA 0.718 5.058 4.340 0.000 0.000 0.264 187 L C -1.400 175.511 176.870 0.068 0.000 0.968 187 L CA -0.232 54.670 54.840 0.105 0.000 0.827 187 L CB 2.198 44.362 42.059 0.175 0.000 1.317 187 L HN 0.693 nan 8.230 nan 0.000 0.407 188 Q N 3.471 123.302 119.800 0.052 0.000 2.268 188 Q HA 0.615 4.955 4.340 0.000 0.000 0.266 188 Q C -2.109 173.863 176.000 -0.047 0.000 1.006 188 Q CA -0.673 55.144 55.803 0.022 0.000 0.824 188 Q CB 2.331 31.075 28.738 0.010 0.000 1.306 188 Q HN 0.558 nan 8.270 nan 0.000 0.424 189 V N 4.625 124.461 119.914 -0.131 0.000 2.481 189 V HA 0.208 4.328 4.120 0.000 0.000 0.286 189 V C 0.395 176.106 176.094 -0.637 0.000 1.042 189 V CA 0.058 62.116 62.300 -0.402 0.000 0.928 189 V CB 1.401 32.834 31.823 -0.651 0.000 0.986 189 V HN 1.060 nan 8.190 nan 0.000 0.462 190 D N 3.133 123.210 120.400 -0.539 0.000 3.945 190 D HA -0.274 4.366 4.640 0.000 0.000 0.166 190 D C 1.218 177.372 176.300 -0.244 0.000 0.775 190 D CA 2.090 55.839 54.000 -0.418 0.000 0.954 190 D CB -0.687 39.773 40.800 -0.566 0.000 0.433 190 D HN 0.635 nan 8.370 nan 0.000 0.385 191 S N -0.553 115.053 115.700 -0.157 0.000 2.650 191 S HA 0.113 4.583 4.470 0.000 0.000 0.240 191 S C -0.218 174.515 174.600 0.223 0.000 1.007 191 S CA -0.645 57.585 58.200 0.050 0.000 0.984 191 S CB 0.215 63.473 63.200 0.097 0.000 0.910 191 S HN 0.224 nan 8.310 nan 0.000 0.509 192 W N 3.056 124.373 121.300 0.028 0.000 2.089 192 W HA 0.264 4.924 4.660 -0.000 0.000 0.355 192 W C -2.629 173.904 176.519 0.023 0.000 1.305 192 W CA -2.760 54.600 57.345 0.024 0.000 1.281 192 W CB -1.364 28.110 29.460 0.022 0.000 1.183 192 W HN 0.001 nan 8.180 nan 0.000 0.604 193 P HA -0.006 nan 4.420 nan 0.000 0.265 193 P C -0.109 177.276 177.300 0.142 0.000 1.193 193 P CA -0.034 63.157 63.100 0.152 0.000 0.765 193 P CB 0.298 32.064 31.700 0.110 0.000 0.823 194 V N 4.995 124.967 119.914 0.097 0.000 2.872 194 V HA -0.007 4.113 4.120 0.000 0.000 0.307 194 V C 0.809 176.950 176.094 0.078 0.000 1.072 194 V CA 0.541 62.886 62.300 0.075 0.000 1.148 194 V CB -0.035 31.816 31.823 0.045 0.000 0.954 194 V HN 0.366 nan 8.190 nan 0.000 0.490 195 I N 4.162 124.774 120.570 0.071 0.000 2.339 195 I HA 0.401 4.571 4.170 0.000 0.000 0.290 195 I C 0.001 176.137 176.117 0.032 0.000 0.994 195 I CA -0.324 61.018 61.300 0.070 0.000 1.191 195 I CB 1.243 39.297 38.000 0.089 0.000 1.343 195 I HN 0.651 nan 8.210 nan 0.000 0.458 196 E N 6.115 126.334 120.200 0.033 0.000 2.145 196 E HA 0.441 4.791 4.350 0.000 0.000 0.270 196 E C -0.712 175.834 176.600 -0.090 0.000 0.906 196 E CA -0.928 55.440 56.400 -0.053 0.000 0.761 196 E CB 2.491 32.245 29.700 0.089 0.000 1.116 196 E HN 0.324 nan 8.360 nan 0.000 0.408 197 R N 2.987 123.345 120.500 -0.237 0.000 2.288 197 R HA 0.236 4.577 4.340 0.000 0.000 0.326 197 R C -1.748 174.374 176.300 -0.296 0.000 0.959 197 R CA -0.367 55.653 56.100 -0.132 0.000 0.834 197 R CB 0.299 30.596 30.300 -0.006 0.000 1.157 197 R HN 0.463 nan 8.270 nan 0.000 0.470 198 Y N 5.520 125.850 120.300 0.050 0.000 2.721 198 Y HA 0.364 4.914 4.550 -0.000 0.000 0.328 198 Y C -1.784 174.135 175.900 0.031 0.000 1.003 198 Y CA -2.595 55.531 58.100 0.042 0.000 1.275 198 Y CB 1.128 39.605 38.460 0.028 0.000 1.097 198 Y HN 0.589 nan 8.280 nan 0.000 0.514 199 P HA -0.083 nan 4.420 nan 0.000 0.261 199 P C 0.202 177.549 177.300 0.078 0.000 1.165 199 P CA 0.342 63.484 63.100 0.071 0.000 0.759 199 P CB 0.656 32.380 31.700 0.039 0.000 0.772 232 R N 1.047 121.560 120.500 0.022 0.000 2.483 232 R HA 0.270 4.610 4.340 0.000 0.000 0.329 232 R C 0.144 176.459 176.300 0.024 0.000 0.961 232 R CA 0.401 56.516 56.100 0.025 0.000 1.041 232 R CB 0.021 30.332 30.300 0.019 0.000 0.930 232 R HN 0.432 nan 8.270 nan 0.000 0.413 233 Q N 3.767 123.587 119.800 0.034 0.000 2.257 233 Q HA 0.311 4.651 4.340 0.000 0.000 0.262 233 Q C -0.042 175.982 176.000 0.041 0.000 0.997 233 Q CA -0.981 54.842 55.803 0.035 0.000 0.873 233 Q CB 1.736 30.502 28.738 0.047 0.000 1.312 233 Q HN 0.530 nan 8.270 nan 0.000 0.450 234 L N 0.804 122.050 121.223 0.039 0.000 2.476 234 L HA 0.118 4.458 4.340 0.000 0.000 0.264 234 L C 1.332 178.236 176.870 0.057 0.000 1.224 234 L CA 0.399 55.264 54.840 0.042 0.000 0.821 234 L CB 0.353 42.436 42.059 0.040 0.000 1.101 234 L HN 0.850 nan 8.230 nan 0.000 0.488 235 T N -2.593 111.993 114.554 0.053 0.000 3.043 235 T HA 0.406 4.756 4.350 0.000 0.000 0.272 235 T C 0.153 174.889 174.700 0.059 0.000 0.990 235 T CA -0.214 61.920 62.100 0.055 0.000 0.897 235 T CB -0.128 68.764 68.868 0.040 0.000 1.111 235 T HN 0.219 nan 8.240 nan 0.000 0.529 236 I N 2.203 122.817 120.570 0.073 0.000 2.378 236 I HA 0.446 4.616 4.170 0.000 0.000 0.291 236 I C -0.905 175.319 176.117 0.180 0.000 0.992 236 I CA -1.287 60.070 61.300 0.096 0.000 1.154 236 I CB 1.696 39.733 38.000 0.061 0.000 1.315 236 I HN 0.057 nan 8.210 nan 0.000 0.448 237 F N 6.824 126.769 119.950 -0.008 0.000 2.368 237 F HA 0.374 4.901 4.527 -0.000 0.000 0.362 237 F C -0.010 175.776 175.800 -0.023 0.000 1.137 237 F CA -1.346 56.654 58.000 -0.001 0.000 1.161 237 F CB -0.366 38.637 39.000 0.005 0.000 1.265 237 F HN 0.431 nan 8.300 nan 0.000 0.530 238 N N 2.856 121.688 118.700 0.219 0.000 2.514 238 N HA 0.155 4.895 4.740 0.000 0.000 0.277 238 N C 0.193 175.623 175.510 -0.134 0.000 1.126 238 N CA 0.004 53.057 53.050 0.005 0.000 0.978 238 N CB 0.892 39.408 38.487 0.048 0.000 1.106 238 N HN 0.558 nan 8.380 nan 0.000 0.461 239 S N 0.652 116.230 115.700 -0.203 0.000 3.484 239 S HA -0.244 4.226 4.470 0.000 0.000 0.384 239 S C -0.453 173.954 174.600 -0.322 0.000 0.932 239 S CA 0.123 58.185 58.200 -0.231 0.000 1.293 239 S CB -1.191 61.944 63.200 -0.109 0.000 0.919 239 S HN 0.554 nan 8.310 nan 0.000 0.540 240 Q N 1.135 120.586 119.800 -0.582 0.000 2.289 240 Q HA 0.454 4.794 4.340 0.000 0.000 0.273 240 Q C 1.118 176.861 176.000 -0.429 0.000 1.029 240 Q CA 0.525 55.930 55.803 -0.663 0.000 0.896 240 Q CB 0.921 29.048 28.738 -1.019 0.000 1.182 240 Q HN 0.653 nan 8.270 nan 0.000 0.385 241 A N 2.625 125.453 122.820 0.014 0.000 2.026 241 A HA 0.145 4.465 4.320 0.000 0.000 0.201 241 A C 0.588 178.445 177.584 0.455 0.000 1.318 241 A CA 0.792 52.969 52.037 0.233 0.000 0.857 241 A CB 0.666 19.721 19.000 0.093 0.000 0.939 241 A HN 0.694 nan 8.150 nan 0.000 0.476 242 T N -2.048 112.726 114.554 0.367 0.000 2.903 242 T HA 0.717 5.067 4.350 0.000 0.000 0.299 242 T C -0.978 173.840 174.700 0.197 0.000 1.093 242 T CA -0.491 61.735 62.100 0.209 0.000 1.002 242 T CB 1.474 70.391 68.868 0.082 0.000 1.127 242 T HN 0.172 nan 8.240 nan 0.000 0.488 243 I N 2.334 122.934 120.570 0.051 0.000 2.411 243 I HA 0.438 4.608 4.170 0.000 0.000 0.284 243 I C -0.772 175.330 176.117 -0.025 0.000 1.012 243 I CA -0.919 60.369 61.300 -0.020 0.000 1.119 243 I CB 1.476 39.411 38.000 -0.108 0.000 1.261 243 I HN 0.552 nan 8.210 nan 0.000 0.448 244 I N 7.241 127.796 120.570 -0.026 0.000 2.362 244 I HA 0.433 4.603 4.170 0.000 0.000 0.289 244 I C -0.409 175.680 176.117 -0.046 0.000 0.994 244 I CA -0.481 60.805 61.300 -0.023 0.000 1.158 244 I CB 1.700 39.696 38.000 -0.008 0.000 1.315 244 I HN 0.402 nan 8.210 nan 0.000 0.451 245 I N 5.571 126.121 120.570 -0.033 0.000 2.362 245 I HA 0.564 4.734 4.170 0.000 0.000 0.289 245 I C 0.889 176.994 176.117 -0.020 0.000 0.994 245 I CA 0.032 61.294 61.300 -0.064 0.000 1.158 245 I CB 1.585 39.567 38.000 -0.030 0.000 1.315 245 I HN 0.881 nan 8.210 nan 0.000 0.451 246 G N 3.408 112.093 108.800 -0.192 0.000 2.480 246 G HA2 -0.091 3.869 3.960 0.000 0.000 0.193 246 G HA3 -0.091 3.869 3.960 0.000 0.000 0.193 246 G C 1.022 175.899 174.900 -0.039 0.000 1.004 246 G CA -0.144 44.855 45.100 -0.168 0.000 0.696 246 G HN 1.266 nan 8.290 nan 0.000 0.478 247 G N 0.585 109.364 108.800 -0.035 0.000 2.196 247 G HA2 -0.413 3.547 3.960 0.000 0.000 0.268 247 G HA3 -0.413 3.547 3.960 0.000 0.000 0.268 247 G C 1.188 176.104 174.900 0.027 0.000 0.975 247 G CA 1.839 46.936 45.100 -0.005 0.000 0.648 247 G HN 1.111 nan 8.290 nan 0.000 0.538 248 K N 0.374 120.807 120.400 0.056 0.000 2.044 248 K HA -0.152 4.168 4.320 0.000 0.000 0.210 248 K C 2.174 178.792 176.600 0.030 0.000 1.049 248 K CA 1.993 58.314 56.287 0.057 0.000 0.927 248 K CB -0.227 32.321 32.500 0.080 0.000 0.713 248 K HN 0.547 nan 8.250 nan 0.000 0.443 249 E N -0.122 120.091 120.200 0.020 0.000 2.150 249 E HA -0.198 4.152 4.350 0.000 0.000 0.193 249 E C 1.532 178.128 176.600 -0.007 0.000 0.985 249 E CA 1.066 57.469 56.400 0.006 0.000 0.814 249 E CB 0.216 29.918 29.700 0.003 0.000 0.752 249 E HN 0.281 nan 8.360 nan 0.000 0.466 250 Q N -1.082 118.712 119.800 -0.011 0.000 2.444 250 Q HA 0.143 4.483 4.340 0.000 0.000 0.206 250 Q C 1.007 176.995 176.000 -0.021 0.000 0.948 250 Q CA 0.765 56.552 55.803 -0.027 0.000 0.946 250 Q CB 0.766 29.485 28.738 -0.031 0.000 1.027 250 Q HN 0.407 nan 8.270 nan 0.000 0.513 251 G N 0.176 108.973 108.800 -0.006 0.000 2.143 251 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 251 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 251 G C 0.029 174.933 174.900 0.005 0.000 0.981 251 G CA 0.086 45.185 45.100 -0.002 0.000 0.665 251 G HN 0.386 nan 8.290 nan 0.000 0.528 252 Q N 0.206 120.014 119.800 0.013 0.000 3.075 252 Q HA 0.276 4.616 4.340 0.000 0.000 0.318 252 Q C -2.762 173.266 176.000 0.048 0.000 0.907 252 Q CA -1.865 53.952 55.803 0.024 0.000 0.882 252 Q CB 1.975 30.723 28.738 0.016 0.000 1.386 252 Q HN 0.266 nan 8.270 nan 0.000 0.408 253 P HA -0.122 nan 4.420 nan 0.000 0.264 253 P C -0.786 176.580 177.300 0.109 0.000 1.183 253 P CA 0.199 63.352 63.100 0.088 0.000 0.763 253 P CB 0.253 32.002 31.700 0.081 0.000 0.807 254 F N 3.413 123.326 119.950 -0.062 0.000 2.375 254 F HA 0.325 4.852 4.527 0.000 0.000 0.333 254 F C 0.116 175.920 175.800 0.006 0.000 1.104 254 F CA 0.016 57.954 58.000 -0.104 0.000 1.149 254 F CB 1.051 39.863 39.000 -0.313 0.000 1.190 254 F HN 0.256 nan 8.300 nan 0.000 0.533 255 Q N 4.209 123.514 119.800 -0.824 0.000 2.292 255 Q HA 0.601 4.941 4.340 0.000 0.000 0.270 255 Q C -0.318 175.177 176.000 -0.841 0.000 1.024 255 Q CA -0.537 54.965 55.803 -0.501 0.000 0.768 255 Q CB 1.951 30.553 28.738 -0.227 0.000 1.250 255 Q HN 1.107 nan 8.270 nan 0.000 0.447 256 G N 1.928 110.495 108.800 -0.389 0.000 2.260 256 G HA2 -0.057 3.903 3.960 0.000 0.000 0.250 256 G HA3 -0.057 3.903 3.960 0.000 0.000 0.250 256 G C -1.640 173.477 174.900 0.362 0.000 1.340 256 G CA -0.868 44.166 45.100 -0.110 0.000 1.056 256 G HN 0.427 nan 8.290 nan 0.000 0.471 257 Q N -0.530 119.595 119.800 0.541 0.000 2.365 257 Q HA 0.776 5.116 4.340 0.000 0.000 0.269 257 Q C -0.786 175.596 176.000 0.638 0.000 1.061 257 Q CA -0.639 55.475 55.803 0.520 0.000 0.816 257 Q CB 2.625 31.450 28.738 0.145 0.000 1.325 257 Q HN 0.493 nan 8.270 nan 0.000 0.446 258 L N 1.232 122.750 121.223 0.491 0.000 2.381 258 L HA 0.753 5.093 4.340 0.000 0.000 0.268 258 L C -0.650 176.425 176.870 0.342 0.000 0.997 258 L CA -0.627 54.440 54.840 0.379 0.000 0.818 258 L CB 2.181 44.369 42.059 0.215 0.000 1.310 258 L HN 0.803 nan 8.230 nan 0.000 0.416 259 S N -0.675 115.237 115.700 0.354 0.000 2.588 259 S HA 0.647 5.117 4.470 0.000 0.000 0.269 259 S C 0.192 174.961 174.600 0.283 0.000 1.157 259 S CA -0.171 58.217 58.200 0.313 0.000 0.824 259 S CB 1.647 65.061 63.200 0.357 0.000 1.126 259 S HN 1.186 nan 8.310 nan 0.000 0.464 260 G N 0.162 109.098 108.800 0.227 0.000 2.341 260 G HA2 -0.205 3.755 3.960 0.000 0.000 0.292 260 G HA3 -0.205 3.755 3.960 0.000 0.000 0.292 260 G C -0.120 174.899 174.900 0.198 0.000 1.021 260 G CA 0.386 45.606 45.100 0.199 0.000 0.905 260 G HN 1.509 nan 8.290 nan 0.000 0.508 261 L N 0.454 121.782 121.223 0.176 0.000 2.477 261 L HA 0.616 4.956 4.340 0.000 0.000 0.272 261 L C -0.125 176.856 176.870 0.184 0.000 1.157 261 L CA -1.058 53.876 54.840 0.156 0.000 0.889 261 L CB 0.156 42.270 42.059 0.091 0.000 1.158 261 L HN 0.282 nan 8.230 nan 0.000 0.473 262 Y N 6.044 126.396 120.300 0.088 0.000 2.338 262 Y HA 0.448 4.998 4.550 0.000 0.000 0.333 262 Y C -1.809 174.177 175.900 0.144 0.000 0.968 262 Y CA -0.861 57.286 58.100 0.079 0.000 1.123 262 Y CB 1.079 39.572 38.460 0.054 0.000 1.165 262 Y HN 0.649 nan 8.280 nan 0.000 0.452 263 Y N 6.960 127.022 120.300 -0.397 0.000 2.327 263 Y HA 0.344 4.894 4.550 0.000 0.000 0.325 263 Y C -0.311 175.394 175.900 -0.325 0.000 0.999 263 Y CA -1.459 56.522 58.100 -0.199 0.000 1.195 263 Y CB 0.597 39.020 38.460 -0.062 0.000 1.132 263 Y HN 0.826 nan 8.280 nan 0.000 0.455 264 N N 4.545 122.756 118.700 -0.815 0.000 2.699 264 N HA -0.219 4.521 4.740 0.000 0.000 0.256 264 N C 1.062 176.301 175.510 -0.451 0.000 0.993 264 N CA 1.875 54.590 53.050 -0.559 0.000 0.759 264 N CB -1.033 37.096 38.487 -0.596 0.000 0.906 264 N HN 1.345 nan 8.380 nan 0.000 0.541 265 G N -1.960 106.377 108.800 -0.770 0.000 2.241 265 G HA2 -0.314 3.646 3.960 0.000 0.000 0.244 265 G HA3 -0.314 3.646 3.960 0.000 0.000 0.244 265 G C 0.053 174.684 174.900 -0.449 0.000 0.998 265 G CA 0.321 45.157 45.100 -0.441 0.000 0.621 265 G HN 0.414 nan 8.290 nan 0.000 0.519 266 L N 0.864 121.784 121.223 -0.504 0.000 2.265 266 L HA 0.429 4.769 4.340 0.000 0.000 0.288 266 L C 0.514 177.191 176.870 -0.321 0.000 1.058 266 L CA -0.393 54.232 54.840 -0.358 0.000 0.809 266 L CB 1.280 43.116 42.059 -0.372 0.000 1.179 266 L HN 0.029 nan 8.230 nan 0.000 0.429 267 K N 2.924 123.216 120.400 -0.181 0.000 2.265 267 K HA 0.150 4.471 4.320 0.000 0.000 0.242 267 K C 1.052 177.599 176.600 -0.087 0.000 1.137 267 K CA -0.314 55.937 56.287 -0.059 0.000 1.082 267 K CB 0.834 33.348 32.500 0.024 0.000 1.731 267 K HN 0.471 nan 8.250 nan 0.000 0.392 268 V N 1.479 121.313 119.914 -0.134 0.000 2.282 268 V HA -0.336 3.784 4.120 0.000 0.000 0.249 268 V C 2.029 178.089 176.094 -0.056 0.000 1.057 268 V CA 1.736 63.940 62.300 -0.160 0.000 1.032 268 V CB -0.560 31.160 31.823 -0.173 0.000 0.645 268 V HN 0.669 nan 8.190 nan 0.000 0.447 269 L N -0.055 121.184 121.223 0.027 0.000 2.093 269 L HA -0.167 4.173 4.340 0.000 0.000 0.208 269 L C 2.364 179.335 176.870 0.168 0.000 1.085 269 L CA 1.839 56.753 54.840 0.123 0.000 0.755 269 L CB -0.868 41.335 42.059 0.240 0.000 0.904 269 L HN 0.476 nan 8.230 nan 0.000 0.435 270 N N 0.076 118.836 118.700 0.100 0.000 2.084 270 N HA -0.189 4.551 4.740 0.000 0.000 0.190 270 N C 1.974 177.518 175.510 0.057 0.000 1.030 270 N CA 1.234 54.333 53.050 0.081 0.000 0.849 270 N CB -0.145 38.371 38.487 0.049 0.000 1.012 270 N HN 0.294 nan 8.380 nan 0.000 0.423 271 M N 0.858 120.462 119.600 0.008 0.000 2.149 271 M HA -0.147 4.333 4.480 0.000 0.000 0.261 271 M C 2.364 178.680 176.300 0.027 0.000 1.064 271 M CA 1.332 56.627 55.300 -0.008 0.000 1.102 271 M CB -0.290 32.263 32.600 -0.079 0.000 1.369 271 M HN 0.226 nan 8.290 nan 0.000 0.408 272 A N 0.032 122.872 122.820 0.033 0.000 2.015 272 A HA 0.087 4.407 4.320 0.000 0.000 0.219 272 A C 2.288 179.955 177.584 0.138 0.000 1.163 272 A CA 1.600 53.660 52.037 0.038 0.000 0.646 272 A CB -0.665 18.282 19.000 -0.088 0.000 0.806 272 A HN 0.502 nan 8.150 nan 0.000 0.448 273 A N -0.411 122.524 122.820 0.191 0.000 2.072 273 A HA 0.047 4.367 4.320 0.000 0.000 0.216 273 A C 1.519 179.152 177.584 0.081 0.000 1.156 273 A CA 0.967 53.105 52.037 0.169 0.000 0.701 273 A CB -0.196 18.879 19.000 0.125 0.000 0.816 273 A HN 0.564 nan 8.150 nan 0.000 0.458 274 E N 0.647 120.885 120.200 0.062 0.000 2.419 274 E HA 0.053 4.403 4.350 0.000 0.000 0.190 274 E C -0.559 176.062 176.600 0.034 0.000 1.040 274 E CA -0.426 55.997 56.400 0.038 0.000 0.900 274 E CB -0.068 29.649 29.700 0.029 0.000 1.054 274 E HN 0.468 nan 8.360 nan 0.000 0.462 275 N N 2.862 121.587 118.700 0.042 0.000 2.714 275 N HA -0.189 4.551 4.740 0.000 0.000 0.252 275 N C -0.513 175.013 175.510 0.026 0.000 1.014 275 N CA 0.828 53.898 53.050 0.033 0.000 0.735 275 N CB -0.937 37.565 38.487 0.026 0.000 0.924 275 N HN 0.425 nan 8.380 nan 0.000 0.540 276 D N 0.007 120.426 120.400 0.032 0.000 2.488 276 D HA 0.104 4.744 4.640 0.000 0.000 0.238 276 D C 1.231 177.548 176.300 0.028 0.000 1.138 276 D CA 0.709 54.731 54.000 0.037 0.000 0.873 276 D CB 0.889 41.723 40.800 0.057 0.000 1.183 276 D HN 0.356 nan 8.370 nan 0.000 0.458 277 A N 4.802 127.634 122.820 0.021 0.000 1.978 277 A HA -0.203 4.117 4.320 0.000 0.000 0.220 277 A C 1.522 179.091 177.584 -0.025 0.000 1.170 277 A CA 1.062 53.100 52.037 0.001 0.000 0.636 277 A CB -0.157 18.844 19.000 0.001 0.000 0.810 277 A HN 0.688 nan 8.150 nan 0.000 0.448 278 N N -0.355 118.326 118.700 -0.031 0.000 2.314 278 N HA 0.213 4.953 4.740 0.000 0.000 0.200 278 N C -0.271 175.148 175.510 -0.152 0.000 1.135 278 N CA 0.318 53.279 53.050 -0.149 0.000 0.835 278 N CB 0.433 38.740 38.487 -0.300 0.000 0.989 278 N HN 0.446 nan 8.380 nan 0.000 0.478 279 I N 0.664 121.216 120.570 -0.030 0.000 2.530 279 I HA 0.474 4.644 4.170 0.000 0.000 0.297 279 I C -0.473 175.624 176.117 -0.033 0.000 1.011 279 I CA -0.911 60.383 61.300 -0.011 0.000 1.107 279 I CB 1.992 40.015 38.000 0.039 0.000 1.285 279 I HN -0.136 nan 8.210 nan 0.000 0.436 280 A N 7.546 130.340 122.820 -0.043 0.000 2.343 280 A HA 0.776 5.096 4.320 0.000 0.000 0.308 280 A C -0.874 176.685 177.584 -0.042 0.000 1.092 280 A CA -0.462 51.553 52.037 -0.038 0.000 0.751 280 A CB 1.058 20.035 19.000 -0.039 0.000 1.203 280 A HN 0.626 nan 8.150 nan 0.000 0.452 281 I N 2.479 123.025 120.570 -0.040 0.000 2.404 281 I HA 0.584 4.754 4.170 0.000 0.000 0.293 281 I C -0.742 175.355 176.117 -0.033 0.000 0.992 281 I CA -0.854 60.413 61.300 -0.054 0.000 1.149 281 I CB 1.850 39.810 38.000 -0.065 0.000 1.315 281 I HN 0.337 nan 8.210 nan 0.000 0.446 282 V N 4.303 124.200 119.914 -0.027 0.000 2.971 282 V HA 0.863 4.983 4.120 0.000 0.000 0.309 282 V C 0.349 176.441 176.094 -0.002 0.000 1.130 282 V CA 0.090 62.384 62.300 -0.010 0.000 0.964 282 V CB 1.776 33.600 31.823 0.001 0.000 1.029 282 V HN 1.099 nan 8.190 nan 0.000 0.427 283 G N 3.514 112.314 108.800 0.001 0.000 2.632 283 G HA2 -0.213 3.747 3.960 0.000 0.000 0.224 283 G HA3 -0.213 3.747 3.960 0.000 0.000 0.224 283 G C -0.096 174.799 174.900 -0.008 0.000 1.341 283 G CA 0.102 45.208 45.100 0.010 0.000 0.880 283 G HN 0.837 nan 8.290 nan 0.000 0.566 284 N N 0.618 119.322 118.700 0.006 0.000 2.895 284 N HA 0.392 5.132 4.740 0.000 0.000 0.277 284 N C -0.388 175.077 175.510 -0.075 0.000 1.185 284 N CA 0.329 53.373 53.050 -0.011 0.000 1.106 284 N CB -0.116 38.384 38.487 0.021 0.000 1.422 284 N HN 0.660 nan 8.380 nan 0.000 0.521 285 V N 3.155 122.987 119.914 -0.138 0.000 2.525 285 V HA 0.478 4.598 4.120 0.000 0.000 0.299 285 V C -0.071 175.957 176.094 -0.109 0.000 1.034 285 V CA -0.825 61.295 62.300 -0.300 0.000 0.863 285 V CB 1.829 33.387 31.823 -0.441 0.000 0.999 285 V HN 0.319 nan 8.190 nan 0.000 0.423 286 R N 3.356 123.811 120.500 -0.075 0.000 2.670 286 R HA 0.677 5.017 4.340 0.000 0.000 0.289 286 R C -1.189 175.051 176.300 -0.100 0.000 0.965 286 R CA -0.951 55.129 56.100 -0.033 0.000 0.899 286 R CB 2.381 32.650 30.300 -0.053 0.000 1.173 286 R HN 0.555 nan 8.270 nan 0.000 0.456 287 L N 2.516 123.611 121.223 -0.214 0.000 2.331 287 L HA 0.272 4.612 4.340 0.000 0.000 0.278 287 L C -0.747 175.932 176.870 -0.319 0.000 1.106 287 L CA -0.186 54.323 54.840 -0.552 0.000 0.824 287 L CB 1.458 43.261 42.059 -0.425 0.000 1.142 287 L HN 0.354 nan 8.230 nan 0.000 0.443 288 V N 6.296 126.011 119.914 -0.333 0.000 2.432 288 V HA 0.437 4.557 4.120 0.000 0.000 0.271 288 V C 1.209 177.206 176.094 -0.162 0.000 1.046 288 V CA -0.059 62.126 62.300 -0.192 0.000 0.945 288 V CB 0.490 32.213 31.823 -0.166 0.000 0.992 288 V HN 0.995 nan 8.190 nan 0.000 0.471 289 G N 4.473 113.206 108.800 -0.112 0.000 2.744 289 G HA2 0.207 4.167 3.960 0.000 0.000 0.257 289 G HA3 0.207 4.167 3.960 0.000 0.000 0.257 289 G C 0.184 175.042 174.900 -0.071 0.000 1.244 289 G CA -0.440 44.609 45.100 -0.086 0.000 0.916 289 G HN 0.797 nan 8.290 nan 0.000 0.564 290 E N -0.685 119.482 120.200 -0.055 0.000 2.398 290 E HA 0.134 4.484 4.350 0.000 0.000 0.263 290 E C -0.203 176.376 176.600 -0.036 0.000 1.046 290 E CA -0.698 55.676 56.400 -0.043 0.000 0.908 290 E CB 1.158 30.837 29.700 -0.034 0.000 0.963 290 E HN 0.115 nan 8.360 nan 0.000 0.431 291 V N 3.750 123.645 119.914 -0.031 0.000 2.530 291 V HA 0.134 4.254 4.120 0.000 0.000 0.282 291 V C -1.494 174.587 176.094 -0.022 0.000 1.048 291 V CA -1.233 61.051 62.300 -0.027 0.000 0.997 291 V CB 0.286 32.094 31.823 -0.026 0.000 0.987 291 V HN 0.717 nan 8.190 nan 0.000 0.477 292 P HA 0.000 nan 4.420 nan 0.000 0.216 292 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 292 P CB 0.000 31.691 31.700 -0.015 0.000 0.726