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 2x1e_1_D DATA FIRST_RESID 1 DATA SEQUENCE MLHILCQGTP FEIGYEHGSA AKAVIARSID FAVDLIRGKT KKTDEELKQV DATA SEQUENCE LSQLGRVIEE RWPKYYEEIR GIAKGAERDV SEIVMLNTRT EFAYGLKAXX DATA SEQUENCE XXXTTAYCQL PNGALQGQNW DFFSATKENL IRLTIRQAGL PTIKFITEAG DATA SEQUENCE IIGKVGFNSA GVAVNYNALH LQGLRPTGVP SHIALRIALE STSPSQAYDR DATA SEQUENCE IVEQGGMAAS AFIMVGNGHE AFGLEFSPTS IRKQVLDANG RMVHTNHCLL DATA SEQUENCE QHGKNEKELD PLPDSWNRHQ RMEFLLDGFD GTKQAFAQLW ADEDNYPFSI DATA SEQUENCE CRAYEEGKSR GATLFNIIYD HARREATVRL GRPTNPDEMF VMRFDEEDER DATA SEQUENCE SALNA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.198 176.300 -0.170 0.000 1.140 1 M CA 0.000 55.216 55.300 -0.140 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.130 0.000 1.302 2 L N 4.786 125.938 121.223 -0.118 0.000 2.477 2 L HA 0.262 4.603 4.340 0.001 0.000 0.272 2 L C -0.990 175.825 176.870 -0.092 0.000 1.157 2 L CA 0.932 55.711 54.840 -0.100 0.000 0.889 2 L CB 0.104 42.112 42.059 -0.085 0.000 1.158 2 L HN 0.630 nan 8.230 nan 0.000 0.473 3 H N 6.283 125.225 119.070 -0.212 0.000 2.587 3 H HA 0.460 5.018 4.556 0.003 0.000 0.325 3 H C -1.097 174.123 175.328 -0.180 0.000 1.012 3 H CA -1.010 54.901 56.048 -0.228 0.000 1.213 3 H CB 0.959 30.567 29.762 -0.256 0.000 1.431 3 H HN 0.653 nan 8.280 nan 0.000 0.492 4 I N 6.341 126.794 120.570 -0.195 0.000 2.362 4 I HA 0.083 4.254 4.170 0.001 0.000 0.289 4 I C -0.656 175.288 176.117 -0.289 0.000 0.994 4 I CA -0.939 60.204 61.300 -0.262 0.000 1.158 4 I CB 1.802 39.687 38.000 -0.192 0.000 1.315 4 I HN 0.394 nan 8.210 nan 0.000 0.451 5 L N 7.859 128.896 121.223 -0.311 0.000 2.278 5 L HA 0.418 4.758 4.340 0.001 0.000 0.287 5 L C -0.704 176.116 176.870 -0.084 0.000 1.072 5 L CA 0.216 54.941 54.840 -0.192 0.000 0.819 5 L CB 0.425 42.367 42.059 -0.195 0.000 1.176 5 L HN 0.650 nan 8.230 nan 0.000 0.435 6 C N 5.602 124.884 119.300 -0.030 0.000 2.345 6 C HA 0.778 5.238 4.460 0.001 0.000 0.323 6 C C -0.272 174.743 174.990 0.041 0.000 1.276 6 C CA -0.667 58.359 59.018 0.013 0.000 1.543 6 C CB 0.825 28.581 27.740 0.028 0.000 2.211 6 C HN 0.870 nan 8.230 nan 0.000 0.493 7 Q N 2.716 122.544 119.800 0.047 0.000 2.534 7 Q HA 0.769 5.109 4.340 0.001 0.000 0.290 7 Q C -0.192 175.844 176.000 0.060 0.000 0.991 7 Q CA -0.293 55.542 55.803 0.053 0.000 0.783 7 Q CB 1.998 30.760 28.738 0.040 0.000 1.470 7 Q HN 1.222 nan 8.270 nan 0.000 0.406 8 G N 0.755 109.591 108.800 0.060 0.000 2.378 8 G HA2 -0.101 3.859 3.960 0.001 0.000 0.198 8 G HA3 -0.101 3.859 3.960 0.001 0.000 0.198 8 G C -0.254 174.692 174.900 0.077 0.000 1.223 8 G CA -0.338 44.800 45.100 0.063 0.000 1.088 8 G HN 1.337 nan 8.290 nan 0.000 0.530 9 T N -0.265 114.342 114.554 0.089 0.000 2.802 9 T HA 0.500 4.850 4.350 0.001 0.000 0.305 9 T C -0.919 173.864 174.700 0.137 0.000 1.053 9 T CA 0.060 62.224 62.100 0.106 0.000 1.058 9 T CB 1.298 70.234 68.868 0.113 0.000 0.988 9 T HN 0.333 nan 8.240 nan 0.000 0.539 10 P HA -0.053 nan 4.420 nan 0.000 0.216 10 P C 1.246 178.654 177.300 0.180 0.000 1.153 10 P CA 0.825 64.022 63.100 0.162 0.000 0.858 10 P CB -0.152 31.647 31.700 0.165 0.000 0.789 11 F N 0.910 120.904 119.950 0.075 0.000 2.095 11 F HA -0.202 4.324 4.527 -0.002 0.000 0.298 11 F C 2.112 177.973 175.800 0.103 0.000 1.104 11 F CA 1.699 59.744 58.000 0.074 0.000 1.232 11 F CB -0.457 38.571 39.000 0.046 0.000 0.987 11 F HN -0.092 nan 8.300 nan 0.000 0.475 12 E N 0.396 120.742 120.200 0.243 0.000 2.077 12 E HA -0.233 4.118 4.350 0.001 0.000 0.193 12 E C 2.272 178.937 176.600 0.109 0.000 0.989 12 E CA 1.776 58.275 56.400 0.165 0.000 0.800 12 E CB -0.304 29.482 29.700 0.144 0.000 0.746 12 E HN 0.484 nan 8.360 nan 0.000 0.452 13 I N 0.930 121.558 120.570 0.098 0.000 2.163 13 I HA -0.257 3.913 4.170 0.001 0.000 0.243 13 I C 2.542 178.704 176.117 0.076 0.000 1.085 13 I CA 1.427 62.781 61.300 0.091 0.000 1.347 13 I CB -0.603 37.462 38.000 0.109 0.000 1.044 13 I HN 0.193 nan 8.210 nan 0.000 0.408 14 G N -0.407 108.404 108.800 0.018 0.000 2.459 14 G HA2 -0.341 3.619 3.960 0.001 0.000 0.217 14 G HA3 -0.341 3.619 3.960 0.001 0.000 0.217 14 G C 1.650 176.475 174.900 -0.125 0.000 1.183 14 G CA 0.904 45.963 45.100 -0.069 0.000 0.776 14 G HN 0.377 nan 8.290 nan 0.000 0.552 15 Y N 1.462 121.571 120.300 -0.319 0.000 2.114 15 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 15 Y C 2.850 178.688 175.900 -0.104 0.000 1.165 15 Y CA 2.407 60.349 58.100 -0.264 0.000 1.148 15 Y CB -0.132 38.184 38.460 -0.241 0.000 0.972 15 Y HN 0.330 nan 8.280 nan 0.000 0.504 16 E N -0.681 119.574 120.200 0.091 0.000 2.085 16 E HA -0.285 4.066 4.350 0.001 0.000 0.194 16 E C 2.170 178.765 176.600 -0.009 0.000 0.994 16 E CA 2.061 58.487 56.400 0.044 0.000 0.801 16 E CB -0.678 29.063 29.700 0.068 0.000 0.743 16 E HN 0.741 nan 8.360 nan 0.000 0.453 17 H N -1.335 117.668 119.070 -0.112 0.000 2.293 17 H HA -0.085 4.471 4.556 0.000 0.000 0.300 17 H C 1.969 177.197 175.328 -0.167 0.000 1.082 17 H CA 1.265 57.239 56.048 -0.124 0.000 1.308 17 H CB -0.299 29.407 29.762 -0.093 0.000 1.375 17 H HN 0.308 nan 8.280 nan 0.000 0.495 18 G N -0.313 108.384 108.800 -0.172 0.000 2.446 18 G HA2 -0.336 3.625 3.960 0.001 0.000 0.217 18 G HA3 -0.336 3.625 3.960 0.001 0.000 0.217 18 G C 1.973 176.708 174.900 -0.275 0.000 1.168 18 G CA 1.241 46.162 45.100 -0.297 0.000 0.771 18 G HN 0.582 nan 8.290 nan 0.000 0.551 19 S N 1.080 116.552 115.700 -0.380 0.000 2.371 19 S HA 0.244 4.715 4.470 0.001 0.000 0.224 19 S C 2.581 177.082 174.600 -0.165 0.000 1.029 19 S CA 1.316 59.318 58.200 -0.330 0.000 0.978 19 S CB -0.454 62.461 63.200 -0.476 0.000 0.833 19 S HN 0.567 nan 8.310 nan 0.000 0.466 20 A N 1.309 124.057 122.820 -0.120 0.000 2.066 20 A HA 0.572 4.892 4.320 0.001 0.000 0.218 20 A C 2.020 179.570 177.584 -0.057 0.000 1.157 20 A CA 1.136 53.128 52.037 -0.075 0.000 0.670 20 A CB -0.721 18.238 19.000 -0.069 0.000 0.804 20 A HN 0.895 nan 8.150 nan 0.000 0.453 21 A N -0.940 121.857 122.820 -0.038 0.000 2.535 21 A HA 0.338 4.658 4.320 0.001 0.000 0.273 21 A C 1.526 179.085 177.584 -0.043 0.000 1.267 21 A CA 0.496 52.523 52.037 -0.017 0.000 0.940 21 A CB -0.260 18.777 19.000 0.062 0.000 1.101 21 A HN 0.444 nan 8.150 nan 0.000 0.521 22 K N 0.604 120.961 120.400 -0.072 0.000 2.015 22 K HA -0.234 4.086 4.320 0.001 0.000 0.216 22 K C 1.993 178.560 176.600 -0.055 0.000 1.052 22 K CA 1.849 58.087 56.287 -0.082 0.000 0.937 22 K CB -0.281 32.165 32.500 -0.090 0.000 0.719 22 K HN 0.425 nan 8.250 nan 0.000 0.446 23 A N 0.406 123.202 122.820 -0.041 0.000 1.972 23 A HA -0.082 4.238 4.320 0.001 0.000 0.219 23 A C 2.179 179.752 177.584 -0.018 0.000 1.169 23 A CA 1.626 53.647 52.037 -0.027 0.000 0.635 23 A CB -0.374 18.613 19.000 -0.023 0.000 0.810 23 A HN 0.223 nan 8.150 nan 0.000 0.446 24 V N -0.090 119.813 119.914 -0.019 0.000 2.453 24 V HA -0.190 3.931 4.120 0.001 0.000 0.247 24 V C 2.327 178.420 176.094 -0.002 0.000 1.048 24 V CA 1.627 63.922 62.300 -0.007 0.000 1.049 24 V CB -0.690 31.128 31.823 -0.009 0.000 0.672 24 V HN 0.553 nan 8.190 nan 0.000 0.457 25 I N 0.863 121.421 120.570 -0.019 0.000 2.286 25 I HA -0.228 3.942 4.170 0.001 0.000 0.248 25 I C 2.707 178.814 176.117 -0.016 0.000 1.115 25 I CA 1.400 62.682 61.300 -0.030 0.000 1.392 25 I CB -0.538 37.412 38.000 -0.083 0.000 1.065 25 I HN 0.286 nan 8.210 nan 0.000 0.418 26 A N 0.970 123.780 122.820 -0.017 0.000 1.908 26 A HA -0.228 4.093 4.320 0.001 0.000 0.218 26 A C 2.405 179.999 177.584 0.018 0.000 1.181 26 A CA 1.597 53.630 52.037 -0.006 0.000 0.627 26 A CB -0.561 18.432 19.000 -0.011 0.000 0.818 26 A HN 0.335 nan 8.150 nan 0.000 0.445 27 R N -0.507 120.009 120.500 0.027 0.000 2.075 27 R HA -0.060 4.280 4.340 0.001 0.000 0.232 27 R C 2.537 178.897 176.300 0.099 0.000 1.126 27 R CA 1.448 57.582 56.100 0.055 0.000 0.963 27 R CB -0.492 29.833 30.300 0.042 0.000 0.858 27 R HN 0.500 nan 8.270 nan 0.000 0.435 28 S N 1.212 116.962 115.700 0.082 0.000 2.370 28 S HA -0.130 4.341 4.470 0.001 0.000 0.226 28 S C 2.011 176.698 174.600 0.145 0.000 1.033 28 S CA 1.220 59.494 58.200 0.123 0.000 1.011 28 S CB -0.201 63.043 63.200 0.073 0.000 0.852 28 S HN 0.203 nan 8.310 nan 0.000 0.457 29 I N 1.705 122.319 120.570 0.073 0.000 2.179 29 I HA -0.210 3.960 4.170 0.001 0.000 0.242 29 I C 2.089 178.231 176.117 0.041 0.000 1.088 29 I CA 1.208 62.532 61.300 0.041 0.000 1.357 29 I CB -0.460 37.542 38.000 0.003 0.000 1.051 29 I HN 0.175 nan 8.210 nan 0.000 0.409 30 D N 0.598 121.029 120.400 0.052 0.000 2.104 30 D HA -0.242 4.398 4.640 0.001 0.000 0.194 30 D C 1.945 178.273 176.300 0.047 0.000 0.994 30 D CA 1.480 55.502 54.000 0.036 0.000 0.830 30 D CB -0.459 40.367 40.800 0.044 0.000 0.959 30 D HN 0.298 nan 8.370 nan 0.000 0.452 31 F N 1.639 121.588 119.950 -0.002 0.000 2.113 31 F HA -0.108 4.420 4.527 0.001 0.000 0.297 31 F C 2.281 178.081 175.800 -0.000 0.000 1.103 31 F CA 1.651 59.652 58.000 0.001 0.000 1.248 31 F CB -0.286 38.747 39.000 0.054 0.000 0.999 31 F HN -0.061 nan 8.300 nan 0.000 0.475 32 A N 0.024 122.928 122.820 0.140 0.000 1.908 32 A HA -0.164 4.157 4.320 0.001 0.000 0.218 32 A C 2.301 179.803 177.584 -0.136 0.000 1.181 32 A CA 2.122 54.187 52.037 0.047 0.000 0.627 32 A CB -1.458 17.618 19.000 0.127 0.000 0.818 32 A HN 0.310 nan 8.150 nan 0.000 0.445 33 V N 0.565 120.401 119.914 -0.130 0.000 2.295 33 V HA -0.258 3.862 4.120 0.001 0.000 0.246 33 V C 2.207 178.180 176.094 -0.203 0.000 1.049 33 V CA 2.391 64.594 62.300 -0.160 0.000 1.024 33 V CB -0.836 30.918 31.823 -0.115 0.000 0.648 33 V HN 0.508 nan 8.190 nan 0.000 0.447 34 D N -0.295 119.952 120.400 -0.255 0.000 2.117 34 D HA -0.144 4.497 4.640 0.001 0.000 0.197 34 D C 1.924 177.990 176.300 -0.390 0.000 0.987 34 D CA 1.108 54.927 54.000 -0.301 0.000 0.829 34 D CB -0.327 40.278 40.800 -0.325 0.000 0.961 34 D HN 0.344 nan 8.370 nan 0.000 0.460 35 L N 0.673 121.554 121.223 -0.570 0.000 1.994 35 L HA -0.113 4.228 4.340 0.001 0.000 0.208 35 L C 2.161 178.885 176.870 -0.244 0.000 1.071 35 L CA 1.428 55.956 54.840 -0.520 0.000 0.745 35 L CB -0.458 41.260 42.059 -0.569 0.000 0.892 35 L HN -0.012 nan 8.230 nan 0.000 0.431 36 I N -0.771 119.697 120.570 -0.170 0.000 2.179 36 I HA -0.319 3.852 4.170 0.001 0.000 0.242 36 I C 2.665 178.738 176.117 -0.074 0.000 1.088 36 I CA 1.412 62.665 61.300 -0.079 0.000 1.357 36 I CB -0.343 37.574 38.000 -0.139 0.000 1.051 36 I HN 0.241 nan 8.210 nan 0.000 0.409 37 R N 0.484 120.915 120.500 -0.115 0.000 2.081 37 R HA -0.109 4.231 4.340 0.001 0.000 0.235 37 R C 2.407 178.660 176.300 -0.079 0.000 1.131 37 R CA 1.470 57.519 56.100 -0.085 0.000 0.960 37 R CB -0.661 29.581 30.300 -0.095 0.000 0.856 37 R HN 0.469 nan 8.270 nan 0.000 0.436 38 G N 0.854 109.582 108.800 -0.119 0.000 2.394 38 G HA2 -0.198 3.763 3.960 0.001 0.000 0.215 38 G HA3 -0.198 3.763 3.960 0.001 0.000 0.215 38 G C 1.345 176.200 174.900 -0.077 0.000 1.165 38 G CA 0.277 45.311 45.100 -0.110 0.000 0.784 38 G HN 0.133 nan 8.290 nan 0.000 0.535 39 K N 0.114 120.467 120.400 -0.078 0.000 2.228 39 K HA -0.035 4.286 4.320 0.001 0.000 0.202 39 K C 2.741 179.336 176.600 -0.009 0.000 1.051 39 K CA 1.592 57.851 56.287 -0.046 0.000 0.960 39 K CB 0.018 32.482 32.500 -0.061 0.000 0.743 39 K HN 0.527 nan 8.250 nan 0.000 0.458 40 T N -2.571 111.988 114.554 0.009 0.000 3.034 40 T HA 0.090 4.440 4.350 0.001 0.000 0.248 40 T C 0.830 175.548 174.700 0.030 0.000 1.040 40 T CA -0.139 61.985 62.100 0.041 0.000 1.107 40 T CB 0.254 69.174 68.868 0.088 0.000 0.932 40 T HN -0.060 nan 8.240 nan 0.000 0.474 41 K N 0.862 121.270 120.400 0.013 0.000 3.185 41 K HA -0.141 4.179 4.320 0.001 0.000 0.298 41 K C -0.149 176.464 176.600 0.021 0.000 1.178 41 K CA 0.841 57.134 56.287 0.009 0.000 0.882 41 K CB -1.191 31.313 32.500 0.006 0.000 1.218 41 K HN 0.521 nan 8.250 nan 0.000 0.454 42 K N 1.387 121.809 120.400 0.037 0.000 2.319 42 K HA 0.055 4.376 4.320 0.001 0.000 0.265 42 K C 1.001 177.623 176.600 0.037 0.000 1.000 42 K CA 0.355 56.669 56.287 0.046 0.000 0.943 42 K CB 0.310 32.854 32.500 0.074 0.000 0.950 42 K HN 0.312 nan 8.250 nan 0.000 0.485 43 T N -1.726 112.849 114.554 0.036 0.000 2.932 43 T HA -0.061 4.289 4.350 0.001 0.000 0.312 43 T C 1.066 175.786 174.700 0.034 0.000 1.071 43 T CA -0.325 61.792 62.100 0.028 0.000 1.128 43 T CB 0.636 69.521 68.868 0.027 0.000 0.984 43 T HN 0.583 nan 8.240 nan 0.000 0.549 44 D N 0.813 121.225 120.400 0.021 0.000 2.149 44 D HA -0.156 4.485 4.640 0.001 0.000 0.198 44 D C 1.926 178.246 176.300 0.033 0.000 0.990 44 D CA 1.229 55.240 54.000 0.018 0.000 0.839 44 D CB 0.059 40.860 40.800 0.002 0.000 0.948 44 D HN 0.635 nan 8.370 nan 0.000 0.460 45 E N 0.412 120.632 120.200 0.033 0.000 2.077 45 E HA -0.178 4.172 4.350 0.001 0.000 0.193 45 E C 2.134 178.768 176.600 0.056 0.000 0.989 45 E CA 0.805 57.229 56.400 0.040 0.000 0.800 45 E CB -0.264 29.454 29.700 0.032 0.000 0.746 45 E HN 0.563 nan 8.360 nan 0.000 0.452 46 E N 0.511 120.747 120.200 0.060 0.000 2.077 46 E HA -0.137 4.213 4.350 0.001 0.000 0.193 46 E C 2.305 178.976 176.600 0.118 0.000 0.989 46 E CA 0.711 57.156 56.400 0.076 0.000 0.800 46 E CB -0.090 29.650 29.700 0.068 0.000 0.746 46 E HN 0.177 nan 8.360 nan 0.000 0.452 47 L N 0.766 122.071 121.223 0.136 0.000 2.056 47 L HA -0.182 4.159 4.340 0.001 0.000 0.207 47 L C 2.588 179.598 176.870 0.235 0.000 1.078 47 L CA 1.090 56.070 54.840 0.233 0.000 0.749 47 L CB -0.349 41.790 42.059 0.134 0.000 0.901 47 L HN 0.041 nan 8.230 nan 0.000 0.433 48 K N -0.221 120.256 120.400 0.127 0.000 2.063 48 K HA -0.212 4.109 4.320 0.001 0.000 0.208 48 K C 2.253 178.929 176.600 0.128 0.000 1.048 48 K CA 1.333 57.686 56.287 0.109 0.000 0.928 48 K CB 0.082 32.621 32.500 0.065 0.000 0.713 48 K HN 0.353 nan 8.250 nan 0.000 0.442 49 Q N 0.021 119.888 119.800 0.113 0.000 2.050 49 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 49 Q C 2.245 178.308 176.000 0.105 0.000 0.980 49 Q CA 1.384 57.242 55.803 0.092 0.000 0.840 49 Q CB -0.388 28.392 28.738 0.071 0.000 0.898 49 Q HN 0.192 nan 8.270 nan 0.000 0.424 50 V N 1.496 121.489 119.914 0.133 0.000 2.358 50 V HA -0.224 3.897 4.120 0.001 0.000 0.246 50 V C 2.339 178.529 176.094 0.160 0.000 1.047 50 V CA 1.342 63.696 62.300 0.090 0.000 1.035 50 V CB -0.640 31.191 31.823 0.013 0.000 0.658 50 V HN 0.192 nan 8.190 nan 0.000 0.452 51 L N 0.144 121.572 121.223 0.342 0.000 2.046 51 L HA -0.125 4.215 4.340 0.001 0.000 0.208 51 L C 2.645 179.641 176.870 0.210 0.000 1.077 51 L CA 2.308 57.375 54.840 0.378 0.000 0.747 51 L CB -0.822 41.435 42.059 0.329 0.000 0.896 51 L HN 0.340 nan 8.230 nan 0.000 0.432 52 S N -1.165 114.626 115.700 0.152 0.000 2.359 52 S HA -0.313 4.157 4.470 0.001 0.000 0.224 52 S C 2.081 176.736 174.600 0.092 0.000 1.035 52 S CA 1.866 60.131 58.200 0.109 0.000 1.018 52 S CB -0.326 62.923 63.200 0.082 0.000 0.876 52 S HN 0.698 nan 8.310 nan 0.000 0.448 53 Q N 0.033 119.881 119.800 0.080 0.000 2.046 53 Q HA -0.035 4.306 4.340 0.001 0.000 0.200 53 Q C 2.264 178.306 176.000 0.070 0.000 0.975 53 Q CA 1.502 57.339 55.803 0.056 0.000 0.836 53 Q CB -0.256 28.507 28.738 0.040 0.000 0.896 53 Q HN 0.598 nan 8.270 nan 0.000 0.428 54 L N 0.011 121.290 121.223 0.094 0.000 2.013 54 L HA -0.181 4.159 4.340 0.001 0.000 0.212 54 L C 2.469 179.438 176.870 0.165 0.000 1.073 54 L CA 1.295 56.212 54.840 0.129 0.000 0.753 54 L CB -0.913 41.228 42.059 0.137 0.000 0.890 54 L HN 0.458 nan 8.230 nan 0.000 0.432 55 G N -0.440 108.463 108.800 0.171 0.000 2.446 55 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 55 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 55 G C 1.732 176.667 174.900 0.058 0.000 1.168 55 G CA 0.646 45.861 45.100 0.192 0.000 0.771 55 G HN 0.272 nan 8.290 nan 0.000 0.551 56 R N -0.362 120.150 120.500 0.020 0.000 2.083 56 R HA -0.044 4.296 4.340 0.001 0.000 0.237 56 R C 2.735 178.984 176.300 -0.085 0.000 1.137 56 R CA 1.329 57.394 56.100 -0.058 0.000 0.951 56 R CB -0.650 29.634 30.300 -0.026 0.000 0.851 56 R HN 0.303 nan 8.270 nan 0.000 0.434 57 V N 1.363 121.267 119.914 -0.016 0.000 2.295 57 V HA -0.257 3.863 4.120 0.001 0.000 0.246 57 V C 2.270 178.348 176.094 -0.027 0.000 1.049 57 V CA 1.819 64.101 62.300 -0.030 0.000 1.024 57 V CB -0.387 31.468 31.823 0.052 0.000 0.648 57 V HN 0.275 nan 8.190 nan 0.000 0.447 58 I N -0.092 120.576 120.570 0.163 0.000 2.179 58 I HA -0.273 3.897 4.170 0.001 0.000 0.242 58 I C 2.626 178.820 176.117 0.129 0.000 1.088 58 I CA 2.029 63.560 61.300 0.385 0.000 1.357 58 I CB -0.384 37.905 38.000 0.482 0.000 1.051 58 I HN 0.420 nan 8.210 nan 0.000 0.409 59 E N 1.044 121.084 120.200 -0.267 0.000 2.058 59 E HA -0.334 4.017 4.350 0.001 0.000 0.194 59 E C 2.078 178.505 176.600 -0.288 0.000 0.997 59 E CA 1.920 57.934 56.400 -0.643 0.000 0.801 59 E CB -0.025 28.951 29.700 -1.207 0.000 0.746 59 E HN 0.520 nan 8.360 nan 0.000 0.450 60 E N -0.043 120.002 120.200 -0.258 0.000 2.046 60 E HA -0.164 4.186 4.350 0.001 0.000 0.190 60 E C 2.216 178.628 176.600 -0.313 0.000 0.982 60 E CA 1.052 57.310 56.400 -0.236 0.000 0.800 60 E CB 0.096 29.671 29.700 -0.208 0.000 0.756 60 E HN 0.150 nan 8.360 nan 0.000 0.449 61 R N -0.841 119.360 120.500 -0.498 0.000 2.090 61 R HA 0.045 4.385 4.340 0.001 0.000 0.219 61 R C 0.274 175.980 176.300 -0.989 0.000 1.100 61 R CA 0.731 56.260 56.100 -0.952 0.000 0.991 61 R CB 0.252 29.523 30.300 -1.715 0.000 0.893 61 R HN 0.272 nan 8.270 nan 0.000 0.443 62 W N 2.056 123.358 121.300 0.003 0.000 2.148 62 W HA 0.297 4.957 4.660 -0.000 0.000 0.288 62 W C -2.247 174.275 176.519 0.005 0.000 0.920 62 W CA -2.147 55.183 57.345 -0.025 0.000 1.904 62 W CB 0.651 30.170 29.460 0.099 0.000 2.083 62 W HN -0.016 nan 8.180 nan 0.000 0.398 63 P HA -0.188 nan 4.420 nan 0.000 0.216 63 P C 1.444 178.840 177.300 0.160 0.000 1.150 63 P CA 1.775 64.950 63.100 0.125 0.000 0.837 63 P CB 0.504 32.225 31.700 0.035 0.000 0.786 64 K N -1.141 119.279 120.400 0.034 0.000 2.097 64 K HA -0.153 4.167 4.320 0.001 0.000 0.206 64 K C 2.313 178.993 176.600 0.134 0.000 1.049 64 K CA 1.414 57.709 56.287 0.012 0.000 0.933 64 K CB -0.465 31.955 32.500 -0.133 0.000 0.717 64 K HN 0.166 nan 8.250 nan 0.000 0.442 65 Y N -0.968 119.463 120.300 0.218 0.000 2.263 65 Y HA -0.166 4.384 4.550 -0.000 0.000 0.292 65 Y C 2.149 178.174 175.900 0.209 0.000 1.130 65 Y CA 0.279 58.489 58.100 0.183 0.000 1.179 65 Y CB -0.909 37.646 38.460 0.158 0.000 0.998 65 Y HN 0.114 nan 8.280 nan 0.000 0.532 66 Y N 1.180 121.653 120.300 0.289 0.000 2.181 66 Y HA -0.216 4.335 4.550 0.001 0.000 0.288 66 Y C 2.505 178.518 175.900 0.189 0.000 1.146 66 Y CA 1.938 60.167 58.100 0.215 0.000 1.164 66 Y CB -0.271 38.299 38.460 0.182 0.000 0.982 66 Y HN 0.249 nan 8.280 nan 0.000 0.515 67 E N 0.072 120.420 120.200 0.246 0.000 2.077 67 E HA -0.300 4.050 4.350 0.001 0.000 0.193 67 E C 2.177 178.873 176.600 0.161 0.000 0.989 67 E CA 1.506 58.037 56.400 0.219 0.000 0.800 67 E CB -0.226 29.620 29.700 0.243 0.000 0.746 67 E HN 0.691 nan 8.360 nan 0.000 0.452 68 E N 0.268 120.550 120.200 0.137 0.000 2.072 68 E HA -0.181 4.169 4.350 0.001 0.000 0.191 68 E C 2.187 178.762 176.600 -0.041 0.000 0.985 68 E CA 1.084 57.526 56.400 0.070 0.000 0.801 68 E CB -0.092 29.700 29.700 0.153 0.000 0.750 68 E HN 0.342 nan 8.360 nan 0.000 0.452 69 I N 0.635 121.181 120.570 -0.041 0.000 2.208 69 I HA -0.302 3.869 4.170 0.001 0.000 0.245 69 I C 2.681 178.672 176.117 -0.209 0.000 1.097 69 I CA 1.183 62.407 61.300 -0.127 0.000 1.363 69 I CB -0.192 37.743 38.000 -0.108 0.000 1.051 69 I HN 0.098 nan 8.210 nan 0.000 0.413 70 R N 0.342 120.695 120.500 -0.244 0.000 2.081 70 R HA -0.130 4.211 4.340 0.001 0.000 0.235 70 R C 2.391 178.588 176.300 -0.172 0.000 1.131 70 R CA 1.460 57.480 56.100 -0.133 0.000 0.960 70 R CB -0.715 29.606 30.300 0.035 0.000 0.856 70 R HN 0.470 nan 8.270 nan 0.000 0.436 71 G N 1.151 109.659 108.800 -0.487 0.000 2.418 71 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 71 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 71 G C 1.450 176.058 174.900 -0.488 0.000 1.158 71 G CA 0.556 45.015 45.100 -1.068 0.000 0.771 71 G HN 0.159 nan 8.290 nan 0.000 0.545 72 I N 1.417 121.788 120.570 -0.332 0.000 2.163 72 I HA -0.202 3.968 4.170 0.001 0.000 0.243 72 I C 3.317 179.278 176.117 -0.261 0.000 1.085 72 I CA 1.032 62.142 61.300 -0.317 0.000 1.347 72 I CB -0.252 37.537 38.000 -0.351 0.000 1.044 72 I HN 0.248 nan 8.210 nan 0.000 0.408 73 A N 0.827 123.530 122.820 -0.194 0.000 1.883 73 A HA -0.297 4.023 4.320 0.001 0.000 0.217 73 A C 2.278 179.811 177.584 -0.084 0.000 1.186 73 A CA 2.280 54.245 52.037 -0.120 0.000 0.624 73 A CB -0.541 18.412 19.000 -0.078 0.000 0.822 73 A HN 0.285 nan 8.150 nan 0.000 0.444 74 K N -0.081 120.290 120.400 -0.048 0.000 2.032 74 K HA -0.065 4.255 4.320 0.001 0.000 0.209 74 K C 1.927 178.512 176.600 -0.026 0.000 1.048 74 K CA 2.056 58.384 56.287 0.069 0.000 0.927 74 K CB -1.117 31.550 32.500 0.280 0.000 0.712 74 K HN 0.302 nan 8.250 nan 0.000 0.441 75 G N -0.451 108.187 108.800 -0.271 0.000 2.418 75 G HA2 -0.174 3.786 3.960 0.001 0.000 0.217 75 G HA3 -0.174 3.786 3.960 0.001 0.000 0.217 75 G C 1.451 176.126 174.900 -0.375 0.000 1.158 75 G CA 0.840 45.531 45.100 -0.681 0.000 0.771 75 G HN 0.454 nan 8.290 nan 0.000 0.545 76 A N -0.222 122.446 122.820 -0.253 0.000 2.251 76 A HA 0.370 4.690 4.320 0.001 0.000 0.209 76 A C 0.890 178.410 177.584 -0.106 0.000 1.187 76 A CA 0.846 52.780 52.037 -0.171 0.000 0.823 76 A CB -0.245 18.655 19.000 -0.166 0.000 0.846 76 A HN 0.452 nan 8.150 nan 0.000 0.486 77 E N -0.400 119.749 120.200 -0.084 0.000 2.389 77 E HA -0.181 4.170 4.350 0.001 0.000 0.243 77 E C -0.544 176.038 176.600 -0.030 0.000 1.154 77 E CA 0.354 56.733 56.400 -0.036 0.000 0.723 77 E CB -0.871 28.814 29.700 -0.025 0.000 1.261 77 E HN 0.516 nan 8.360 nan 0.000 0.390 78 R N 0.524 121.000 120.500 -0.040 0.000 2.902 78 R HA 0.371 4.711 4.340 0.001 0.000 0.258 78 R C -0.123 176.166 176.300 -0.017 0.000 1.071 78 R CA -0.929 55.152 56.100 -0.032 0.000 1.024 78 R CB 0.642 30.912 30.300 -0.050 0.000 1.184 78 R HN -0.045 nan 8.270 nan 0.000 0.492 79 D N 0.570 120.966 120.400 -0.007 0.000 2.382 79 D HA 0.015 4.655 4.640 0.001 0.000 0.245 79 D C 1.451 177.753 176.300 0.003 0.000 1.120 79 D CA -0.141 53.865 54.000 0.008 0.000 0.890 79 D CB 1.236 42.046 40.800 0.017 0.000 1.201 79 D HN 0.075 nan 8.370 nan 0.000 0.433 80 V N 2.325 122.247 119.914 0.013 0.000 2.324 80 V HA -0.314 3.807 4.120 0.001 0.000 0.250 80 V C 2.486 178.600 176.094 0.033 0.000 1.060 80 V CA 2.419 64.717 62.300 -0.004 0.000 1.042 80 V CB -0.779 31.044 31.823 0.000 0.000 0.650 80 V HN 0.681 nan 8.190 nan 0.000 0.450 81 S N -0.075 115.664 115.700 0.065 0.000 2.400 81 S HA -0.277 4.193 4.470 0.001 0.000 0.232 81 S C 1.775 176.407 174.600 0.053 0.000 1.025 81 S CA 1.794 60.045 58.200 0.084 0.000 0.993 81 S CB -0.515 62.732 63.200 0.079 0.000 0.808 81 S HN 0.748 nan 8.310 nan 0.000 0.478 82 E N 0.688 120.899 120.200 0.018 0.000 2.106 82 E HA -0.038 4.313 4.350 0.001 0.000 0.192 82 E C 1.944 178.540 176.600 -0.007 0.000 0.984 82 E CA 1.125 57.522 56.400 -0.006 0.000 0.806 82 E CB -0.180 29.509 29.700 -0.019 0.000 0.750 82 E HN 0.477 nan 8.360 nan 0.000 0.458 83 I N 0.757 121.317 120.570 -0.016 0.000 2.353 83 I HA -0.166 4.004 4.170 0.001 0.000 0.248 83 I C 2.404 178.529 176.117 0.013 0.000 1.119 83 I CA 0.804 62.084 61.300 -0.034 0.000 1.417 83 I CB -1.069 36.881 38.000 -0.083 0.000 1.078 83 I HN -0.012 nan 8.210 nan 0.000 0.421 84 V N 0.882 120.832 119.914 0.061 0.000 2.287 84 V HA -0.329 3.791 4.120 0.001 0.000 0.248 84 V C 2.663 178.851 176.094 0.156 0.000 1.053 84 V CA 2.068 64.450 62.300 0.136 0.000 1.027 84 V CB -0.615 31.330 31.823 0.203 0.000 0.646 84 V HN 0.420 nan 8.190 nan 0.000 0.447 85 M N -0.661 119.015 119.600 0.127 0.000 2.080 85 M HA -0.212 4.268 4.480 0.001 0.000 0.260 85 M C 2.177 178.536 176.300 0.099 0.000 1.068 85 M CA 2.053 57.421 55.300 0.114 0.000 1.109 85 M CB -0.236 32.331 32.600 -0.056 0.000 1.342 85 M HN 0.285 nan 8.290 nan 0.000 0.405 86 L N 0.237 121.485 121.223 0.042 0.000 2.012 86 L HA -0.278 4.063 4.340 0.001 0.000 0.210 86 L C 1.982 178.832 176.870 -0.032 0.000 1.073 86 L CA 1.351 56.201 54.840 0.017 0.000 0.748 86 L CB -0.960 41.092 42.059 -0.013 0.000 0.891 86 L HN 0.444 nan 8.230 nan 0.000 0.431 87 N N -0.627 118.065 118.700 -0.013 0.000 2.515 87 N HA -0.063 4.677 4.740 0.001 0.000 0.185 87 N C 1.040 176.577 175.510 0.045 0.000 1.109 87 N CA 1.429 54.449 53.050 -0.050 0.000 0.903 87 N CB 0.204 38.687 38.487 -0.006 0.000 0.969 87 N HN 0.453 nan 8.380 nan 0.000 0.450 88 T N -3.214 111.434 114.554 0.156 0.000 3.252 88 T HA 0.263 4.614 4.350 0.001 0.000 0.286 88 T C 1.269 176.207 174.700 0.396 0.000 1.013 88 T CA -0.544 61.712 62.100 0.259 0.000 0.914 88 T CB 0.639 69.673 68.868 0.277 0.000 1.131 88 T HN -0.042 nan 8.240 nan 0.000 0.529 89 R N 1.396 122.086 120.500 0.315 0.000 2.105 89 R HA -0.110 4.231 4.340 0.001 0.000 0.239 89 R C 1.834 178.426 176.300 0.486 0.000 1.135 89 R CA 2.011 58.342 56.100 0.386 0.000 0.967 89 R CB -0.703 29.768 30.300 0.284 0.000 0.861 89 R HN 0.396 nan 8.270 nan 0.000 0.442 90 T N 0.609 115.459 114.554 0.494 0.000 2.708 90 T HA -0.111 4.239 4.350 0.001 0.000 0.266 90 T C 1.386 176.339 174.700 0.422 0.000 1.037 90 T CA 1.558 63.978 62.100 0.534 0.000 1.146 90 T CB -0.167 68.965 68.868 0.441 0.000 0.865 90 T HN 0.313 nan 8.240 nan 0.000 0.435 91 E N 0.598 120.970 120.200 0.288 0.000 2.118 91 E HA -0.040 4.311 4.350 0.001 0.000 0.195 91 E C 1.689 178.300 176.600 0.019 0.000 0.992 91 E CA 1.041 57.508 56.400 0.112 0.000 0.804 91 E CB -0.444 29.250 29.700 -0.011 0.000 0.741 91 E HN 0.527 nan 8.360 nan 0.000 0.458 92 F N 0.144 120.204 119.950 0.182 0.000 2.074 92 F HA -0.007 4.520 4.527 0.000 0.000 0.293 92 F C 2.346 178.222 175.800 0.127 0.000 1.116 92 F CA 1.166 59.247 58.000 0.136 0.000 1.212 92 F CB -0.791 38.275 39.000 0.110 0.000 0.998 92 F HN 0.023 nan 8.300 nan 0.000 0.471 93 A N -1.616 121.423 122.820 0.365 0.000 2.014 93 A HA -0.123 4.197 4.320 0.001 0.000 0.218 93 A C 1.587 179.142 177.584 -0.048 0.000 1.163 93 A CA 1.477 53.604 52.037 0.149 0.000 0.652 93 A CB -0.861 18.239 19.000 0.167 0.000 0.808 93 A HN 0.498 nan 8.150 nan 0.000 0.449 94 Y N -1.587 118.807 120.300 0.156 0.000 2.609 94 Y HA 0.239 4.790 4.550 0.001 0.000 0.281 94 Y C 2.642 178.589 175.900 0.079 0.000 1.132 94 Y CA 0.169 58.319 58.100 0.084 0.000 1.264 94 Y CB -0.566 37.915 38.460 0.034 0.000 1.325 94 Y HN 0.256 nan 8.280 nan 0.000 0.514 95 G N 0.039 108.981 108.800 0.236 0.000 2.422 95 G HA2 -0.123 3.838 3.960 0.001 0.000 0.218 95 G HA3 -0.123 3.838 3.960 0.001 0.000 0.218 95 G C 1.138 176.093 174.900 0.092 0.000 1.140 95 G CA 0.708 45.890 45.100 0.137 0.000 0.775 95 G HN 0.306 nan 8.290 nan 0.000 0.545 96 L N 0.150 121.430 121.223 0.094 0.000 2.872 96 L HA 0.290 4.630 4.340 0.001 0.000 0.245 96 L C 0.770 177.688 176.870 0.081 0.000 1.211 96 L CA -0.397 54.493 54.840 0.083 0.000 1.013 96 L CB 0.356 42.475 42.059 0.099 0.000 1.326 96 L HN 0.029 nan 8.230 nan 0.000 0.525 97 K N 1.824 122.268 120.400 0.073 0.000 2.447 97 K HA 0.272 4.593 4.320 0.001 0.000 0.281 97 K C 0.645 177.275 176.600 0.049 0.000 1.031 97 K CA -0.101 56.211 56.287 0.043 0.000 1.019 97 K CB 0.830 33.347 32.500 0.029 0.000 0.918 97 K HN 0.189 nan 8.250 nan 0.000 0.476 105 T N 1.944 116.678 114.554 0.300 0.000 2.912 105 T HA 0.882 5.232 4.350 0.001 0.000 0.299 105 T C -0.921 174.033 174.700 0.424 0.000 1.052 105 T CA -0.730 61.586 62.100 0.360 0.000 0.996 105 T CB 1.894 70.952 68.868 0.317 0.000 1.070 105 T HN 1.033 nan 8.240 nan 0.000 0.465 106 A N 2.257 125.411 122.820 0.557 0.000 2.515 106 A HA 0.795 5.116 4.320 0.001 0.000 0.298 106 A C -2.151 175.767 177.584 0.557 0.000 1.059 106 A CA -0.728 51.599 52.037 0.483 0.000 0.698 106 A CB 1.532 20.754 19.000 0.371 0.000 1.289 106 A HN 0.815 nan 8.150 nan 0.000 0.404 107 Y N 0.611 121.097 120.300 0.310 0.000 2.391 107 Y HA 0.581 5.132 4.550 0.000 0.000 0.341 107 Y C -0.966 175.046 175.900 0.186 0.000 0.965 107 Y CA -0.935 57.315 58.100 0.250 0.000 1.067 107 Y CB 1.874 40.446 38.460 0.187 0.000 1.199 107 Y HN 0.801 nan 8.280 nan 0.000 0.450 108 C N 5.878 125.122 119.300 -0.094 0.000 2.381 108 C HA 0.379 4.840 4.460 0.001 0.000 0.328 108 C C -0.461 174.444 174.990 -0.142 0.000 1.190 108 C CA -0.878 58.153 59.018 0.021 0.000 1.369 108 C CB 0.719 28.523 27.740 0.107 0.000 2.029 108 C HN 0.802 nan 8.230 nan 0.000 0.448 109 Q N 2.477 122.318 119.800 0.069 0.000 2.332 109 Q HA 0.703 5.043 4.340 0.001 0.000 0.263 109 Q C -1.120 174.894 176.000 0.023 0.000 0.979 109 Q CA 0.761 56.599 55.803 0.058 0.000 0.885 109 Q CB 0.386 29.216 28.738 0.154 0.000 1.218 109 Q HN 0.719 nan 8.270 nan 0.000 0.405 110 L N 5.373 126.593 121.223 -0.005 0.000 2.415 110 L HA 0.465 4.806 4.340 0.001 0.000 0.256 110 L C -1.751 175.116 176.870 -0.005 0.000 1.010 110 L CA -1.916 52.918 54.840 -0.011 0.000 0.826 110 L CB 2.445 44.485 42.059 -0.031 0.000 1.405 110 L HN 0.605 nan 8.230 nan 0.000 0.410 111 P HA -0.050 nan 4.420 nan 0.000 0.223 111 P C 0.445 177.745 177.300 0.000 0.000 1.151 111 P CA 1.013 64.111 63.100 -0.003 0.000 0.787 111 P CB 0.272 31.965 31.700 -0.012 0.000 0.788 112 N N -0.216 118.479 118.700 -0.008 0.000 2.398 112 N HA 0.160 4.900 4.740 0.001 0.000 0.188 112 N C 0.905 176.422 175.510 0.013 0.000 1.122 112 N CA 1.010 54.059 53.050 -0.000 0.000 0.866 112 N CB 0.346 38.826 38.487 -0.011 0.000 0.970 112 N HN 0.193 nan 8.380 nan 0.000 0.462 113 G N -0.365 108.443 108.800 0.013 0.000 2.697 113 G HA2 0.204 4.165 3.960 0.001 0.000 0.684 113 G HA3 0.204 4.165 3.960 0.001 0.000 0.684 113 G C -0.700 174.196 174.900 -0.007 0.000 1.274 113 G CA -0.530 44.589 45.100 0.031 0.000 0.806 113 G HN 0.295 nan 8.290 nan 0.000 0.644 114 A N 1.133 123.943 122.820 -0.016 0.000 2.425 114 A HA 0.715 5.035 4.320 0.001 0.000 0.242 114 A C 0.511 178.012 177.584 -0.138 0.000 1.077 114 A CA 0.272 52.207 52.037 -0.171 0.000 0.781 114 A CB 0.353 19.129 19.000 -0.373 0.000 1.020 114 A HN 1.365 nan 8.150 nan 0.000 0.494 115 L N 1.105 122.102 121.223 -0.377 0.000 2.365 115 L HA 0.581 4.921 4.340 0.001 0.000 0.273 115 L C -0.016 176.576 176.870 -0.463 0.000 1.000 115 L CA -0.303 54.228 54.840 -0.514 0.000 0.819 115 L CB 1.879 43.314 42.059 -1.040 0.000 1.284 115 L HN 0.909 nan 8.230 nan 0.000 0.418 116 Q N 1.455 121.203 119.800 -0.087 0.000 2.359 116 Q HA 0.776 5.116 4.340 0.001 0.000 0.274 116 Q C -1.196 175.065 176.000 0.435 0.000 1.074 116 Q CA -0.574 55.419 55.803 0.318 0.000 0.810 116 Q CB 3.016 32.091 28.738 0.561 0.000 1.342 116 Q HN 0.804 nan 8.270 nan 0.000 0.427 117 G N 1.561 110.640 108.800 0.466 0.000 2.550 117 G HA2 0.490 4.450 3.960 0.001 0.000 0.293 117 G HA3 0.490 4.450 3.960 0.001 0.000 0.293 117 G C -2.108 172.596 174.900 -0.327 0.000 1.402 117 G CA -0.509 44.571 45.100 -0.033 0.000 0.784 117 G HN 0.682 nan 8.290 nan 0.000 0.482 118 Q N -0.603 118.714 119.800 -0.804 0.000 2.522 118 Q HA 0.511 4.851 4.340 0.001 0.000 0.285 118 Q C -1.828 173.668 176.000 -0.840 0.000 0.982 118 Q CA -1.065 54.287 55.803 -0.751 0.000 0.805 118 Q CB 1.578 30.218 28.738 -0.164 0.000 1.457 118 Q HN 0.364 nan 8.270 nan 0.000 0.394 119 N N 1.475 119.885 118.700 -0.483 0.000 2.479 119 N HA 0.276 5.017 4.740 0.001 0.000 0.285 119 N C -1.651 173.732 175.510 -0.212 0.000 1.075 119 N CA -0.248 52.629 53.050 -0.289 0.000 0.967 119 N CB 1.103 39.561 38.487 -0.048 0.000 1.137 119 N HN 0.594 nan 8.380 nan 0.000 0.472 120 W N 3.518 124.467 121.300 -0.586 0.000 2.314 120 W HA 0.273 4.934 4.660 0.002 0.000 0.310 120 W C -1.448 174.932 176.519 -0.232 0.000 1.075 120 W CA -0.446 56.609 57.345 -0.484 0.000 1.253 120 W CB 0.822 29.737 29.460 -0.908 0.000 1.238 120 W HN 0.400 nan 8.180 nan 0.000 0.440 121 D N 6.523 126.518 120.400 -0.674 0.000 2.308 121 D HA 0.501 5.141 4.640 0.001 0.000 0.242 121 D C -0.930 175.058 176.300 -0.521 0.000 1.059 121 D CA 0.008 53.737 54.000 -0.452 0.000 0.830 121 D CB 2.133 42.773 40.800 -0.268 0.000 1.161 121 D HN 0.229 nan 8.370 nan 0.000 0.494 122 F N 0.441 120.091 119.950 -0.500 0.000 3.052 122 F HA 0.377 4.905 4.527 0.001 0.000 0.323 122 F C -1.275 174.380 175.800 -0.242 0.000 1.178 122 F CA -1.446 56.315 58.000 -0.398 0.000 0.892 122 F CB 0.655 39.533 39.000 -0.203 0.000 1.416 122 F HN 0.079 nan 8.300 nan 0.000 0.488 123 F N 1.998 121.666 119.950 -0.469 0.000 2.578 123 F HA 0.134 4.661 4.527 0.000 0.000 0.381 123 F C 1.603 177.342 175.800 -0.102 0.000 1.069 123 F CA 0.597 58.450 58.000 -0.245 0.000 1.231 123 F CB 0.238 39.119 39.000 -0.200 0.000 1.086 123 F HN 0.303 nan 8.300 nan 0.000 0.564 124 S N 2.132 117.879 115.700 0.079 0.000 2.440 124 S HA -0.214 4.256 4.470 0.001 0.000 0.238 124 S C 2.228 176.833 174.600 0.008 0.000 1.010 124 S CA 0.995 59.206 58.200 0.019 0.000 0.972 124 S CB -0.297 62.855 63.200 -0.079 0.000 0.774 124 S HN 0.780 nan 8.310 nan 0.000 0.501 125 A N 1.572 124.398 122.820 0.010 0.000 2.070 125 A HA -0.110 4.210 4.320 0.001 0.000 0.220 125 A C 2.341 179.854 177.584 -0.118 0.000 1.159 125 A CA 1.849 53.874 52.037 -0.020 0.000 0.656 125 A CB -1.020 18.037 19.000 0.095 0.000 0.800 125 A HN 0.633 nan 8.150 nan 0.000 0.453 126 T N -2.991 111.445 114.554 -0.198 0.000 3.081 126 T HA 0.044 4.395 4.350 0.001 0.000 0.255 126 T C 1.698 176.426 174.700 0.045 0.000 1.113 126 T CA 1.052 63.065 62.100 -0.146 0.000 1.082 126 T CB -0.118 68.697 68.868 -0.087 0.000 0.939 126 T HN 0.485 nan 8.240 nan 0.000 0.506 127 K N 1.940 122.389 120.400 0.082 0.000 2.044 127 K HA -0.229 4.091 4.320 0.001 0.000 0.210 127 K C 2.342 178.982 176.600 0.066 0.000 1.049 127 K CA 2.072 58.428 56.287 0.114 0.000 0.927 127 K CB -0.220 32.339 32.500 0.099 0.000 0.713 127 K HN 0.764 nan 8.250 nan 0.000 0.443 128 E N -0.436 119.784 120.200 0.033 0.000 2.409 128 E HA -0.142 4.208 4.350 0.001 0.000 0.198 128 E C 0.768 177.374 176.600 0.010 0.000 1.024 128 E CA 0.968 57.379 56.400 0.018 0.000 0.861 128 E CB -0.032 29.675 29.700 0.011 0.000 0.788 128 E HN 0.271 nan 8.360 nan 0.000 0.521 129 N N 0.532 119.240 118.700 0.013 0.000 2.236 129 N HA 0.148 4.888 4.740 0.001 0.000 0.196 129 N C -0.167 175.341 175.510 -0.002 0.000 1.114 129 N CA 0.105 53.159 53.050 0.007 0.000 0.859 129 N CB 0.406 38.901 38.487 0.013 0.000 0.982 129 N HN 0.201 nan 8.380 nan 0.000 0.493 130 L N 2.093 123.315 121.223 -0.002 0.000 2.410 130 L HA 0.321 4.661 4.340 0.001 0.000 0.273 130 L C 0.554 177.366 176.870 -0.097 0.000 1.144 130 L CA -0.172 54.637 54.840 -0.052 0.000 0.863 130 L CB 0.279 42.314 42.059 -0.039 0.000 1.140 130 L HN 0.070 nan 8.230 nan 0.000 0.463 131 I N 1.235 121.713 120.570 -0.153 0.000 3.264 131 I HA 0.741 4.911 4.170 0.001 0.000 0.315 131 I C -0.890 175.064 176.117 -0.271 0.000 1.154 131 I CA -1.207 59.985 61.300 -0.180 0.000 0.962 131 I CB 2.371 40.274 38.000 -0.162 0.000 1.265 131 I HN 0.600 nan 8.210 nan 0.000 0.463 132 R N 2.379 122.718 120.500 -0.268 0.000 2.686 132 R HA 0.803 5.144 4.340 0.001 0.000 0.283 132 R C -2.088 174.039 176.300 -0.288 0.000 0.978 132 R CA -0.917 54.981 56.100 -0.335 0.000 0.897 132 R CB 1.912 32.046 30.300 -0.276 0.000 1.192 132 R HN 0.734 nan 8.270 nan 0.000 0.457 133 L N 1.777 122.711 121.223 -0.481 0.000 2.346 133 L HA 0.506 4.846 4.340 0.001 0.000 0.274 133 L C -0.449 176.371 176.870 -0.084 0.000 1.007 133 L CA -1.001 53.631 54.840 -0.348 0.000 0.818 133 L CB 2.554 44.240 42.059 -0.621 0.000 1.284 133 L HN 0.724 nan 8.230 nan 0.000 0.424 134 T N 3.757 118.361 114.554 0.084 0.000 2.758 134 T HA 0.581 4.932 4.350 0.001 0.000 0.285 134 T C -0.155 174.618 174.700 0.122 0.000 0.981 134 T CA -0.202 62.000 62.100 0.171 0.000 0.965 134 T CB 0.814 69.831 68.868 0.248 0.000 0.927 134 T HN 0.275 nan 8.240 nan 0.000 0.448 135 I N 3.896 124.576 120.570 0.183 0.000 2.382 135 I HA 0.404 4.574 4.170 0.001 0.000 0.286 135 I C 0.285 176.480 176.117 0.130 0.000 1.002 135 I CA -0.792 60.599 61.300 0.153 0.000 1.135 135 I CB 1.367 39.488 38.000 0.202 0.000 1.288 135 I HN 0.324 nan 8.210 nan 0.000 0.448 136 R N 6.085 126.642 120.500 0.096 0.000 2.294 136 R HA 0.534 4.875 4.340 0.001 0.000 0.319 136 R C -0.896 175.443 176.300 0.065 0.000 0.984 136 R CA -0.617 55.528 56.100 0.074 0.000 0.861 136 R CB 1.541 31.878 30.300 0.062 0.000 1.104 136 R HN 0.563 nan 8.270 nan 0.000 0.451 137 Q N 1.477 121.309 119.800 0.053 0.000 2.290 137 Q HA 0.356 4.696 4.340 0.001 0.000 0.269 137 Q C -0.940 175.078 176.000 0.030 0.000 1.016 137 Q CA -0.728 55.105 55.803 0.049 0.000 0.754 137 Q CB 2.519 31.293 28.738 0.061 0.000 1.247 137 Q HN 0.723 nan 8.270 nan 0.000 0.451 138 A N 1.449 124.285 122.820 0.027 0.000 2.566 138 A HA 0.367 4.688 4.320 0.001 0.000 0.245 138 A C 1.334 178.924 177.584 0.009 0.000 1.056 138 A CA 1.267 53.313 52.037 0.016 0.000 0.757 138 A CB -0.623 18.387 19.000 0.016 0.000 0.979 138 A HN 1.144 nan 8.150 nan 0.000 0.508 139 G N 1.172 109.972 108.800 0.000 0.000 2.179 139 G HA2 -0.213 3.747 3.960 0.001 0.000 0.260 139 G HA3 -0.213 3.747 3.960 0.001 0.000 0.260 139 G C 0.066 174.961 174.900 -0.009 0.000 0.977 139 G CA 0.576 45.672 45.100 -0.006 0.000 0.641 139 G HN 0.853 nan 8.290 nan 0.000 0.533 140 L N 0.506 121.725 121.223 -0.007 0.000 2.319 140 L HA 0.533 4.873 4.340 0.001 0.000 0.267 140 L C -2.142 174.707 176.870 -0.036 0.000 1.011 140 L CA -2.614 52.218 54.840 -0.012 0.000 0.818 140 L CB 1.958 44.023 42.059 0.010 0.000 1.316 140 L HN -0.191 nan 8.230 nan 0.000 0.432 141 P HA 0.008 nan 4.420 nan 0.000 0.266 141 P C -0.676 176.565 177.300 -0.099 0.000 1.195 141 P CA 0.036 63.063 63.100 -0.122 0.000 0.768 141 P CB 0.368 31.982 31.700 -0.144 0.000 0.838 142 T N 4.049 118.515 114.554 -0.147 0.000 2.870 142 T HA 0.302 4.652 4.350 0.001 0.000 0.300 142 T C 0.507 175.224 174.700 0.028 0.000 0.989 142 T CA 0.189 62.272 62.100 -0.028 0.000 1.139 142 T CB -0.272 68.615 68.868 0.030 0.000 0.920 142 T HN 0.170 nan 8.240 nan 0.000 0.537 143 I N 3.426 124.109 120.570 0.188 0.000 2.441 143 I HA 0.448 4.618 4.170 0.001 0.000 0.295 143 I C 0.181 176.561 176.117 0.438 0.000 0.994 143 I CA -0.790 60.681 61.300 0.284 0.000 1.144 143 I CB 1.595 39.717 38.000 0.203 0.000 1.314 143 I HN 0.321 nan 8.210 nan 0.000 0.445 144 K N 6.712 127.419 120.400 0.511 0.000 2.502 144 K HA 0.603 4.924 4.320 0.001 0.000 0.254 144 K C -1.347 175.560 176.600 0.510 0.000 0.947 144 K CA -0.523 56.003 56.287 0.397 0.000 0.834 144 K CB 1.885 34.504 32.500 0.198 0.000 1.112 144 K HN 0.496 nan 8.250 nan 0.000 0.427 145 F N 0.689 120.699 119.950 0.100 0.000 2.645 145 F HA 0.579 5.107 4.527 0.000 0.000 0.310 145 F C -1.322 174.434 175.800 -0.074 0.000 1.102 145 F CA -1.515 56.510 58.000 0.042 0.000 0.952 145 F CB 0.757 39.780 39.000 0.039 0.000 1.326 145 F HN 0.080 nan 8.300 nan 0.000 0.456 146 I N 2.134 122.639 120.570 -0.110 0.000 2.331 146 I HA 0.550 4.721 4.170 0.001 0.000 0.292 146 I C 0.159 176.126 176.117 -0.251 0.000 0.998 146 I CA -0.083 61.000 61.300 -0.361 0.000 1.267 146 I CB 0.729 38.293 38.000 -0.727 0.000 1.386 146 I HN 0.874 nan 8.210 nan 0.000 0.476 147 T N 4.988 119.356 114.554 -0.309 0.000 2.843 147 T HA 0.358 4.708 4.350 0.001 0.000 0.302 147 T C -0.717 173.906 174.700 -0.128 0.000 1.232 147 T CA -0.627 61.382 62.100 -0.152 0.000 1.009 147 T CB 1.440 70.275 68.868 -0.055 0.000 1.254 147 T HN 0.572 nan 8.240 nan 0.000 0.504 148 E N 1.568 121.739 120.200 -0.048 0.000 2.316 148 E HA 0.495 4.845 4.350 0.001 0.000 0.275 148 E C 0.073 176.688 176.600 0.025 0.000 1.029 148 E CA -0.516 55.884 56.400 -0.000 0.000 0.871 148 E CB 0.944 30.670 29.700 0.044 0.000 1.022 148 E HN 0.729 nan 8.360 nan 0.000 0.418 149 A N 2.555 125.397 122.820 0.037 0.000 2.546 149 A HA 0.349 4.670 4.320 0.001 0.000 0.243 149 A C 1.302 178.938 177.584 0.088 0.000 1.063 149 A CA 0.790 52.901 52.037 0.122 0.000 0.757 149 A CB -0.338 18.704 19.000 0.070 0.000 0.991 149 A HN 0.867 nan 8.150 nan 0.000 0.503 150 G N 1.351 110.202 108.800 0.086 0.000 2.213 150 G HA2 -0.183 3.777 3.960 0.001 0.000 0.226 150 G HA3 -0.183 3.777 3.960 0.001 0.000 0.226 150 G C 0.085 174.942 174.900 -0.073 0.000 0.992 150 G CA 0.116 45.095 45.100 -0.202 0.000 0.632 150 G HN 0.818 nan 8.290 nan 0.000 0.511 151 I N 2.011 122.639 120.570 0.095 0.000 2.377 151 I HA 0.430 4.601 4.170 0.001 0.000 0.293 151 I C 1.717 177.962 176.117 0.213 0.000 0.987 151 I CA -0.816 60.522 61.300 0.062 0.000 1.185 151 I CB 1.458 39.432 38.000 -0.044 0.000 1.341 151 I HN 0.248 nan 8.210 nan 0.000 0.455 152 I N 2.156 122.800 120.570 0.123 0.000 3.728 152 I HA 0.422 4.592 4.170 0.001 0.000 0.307 152 I C 0.650 176.758 176.117 -0.015 0.000 1.276 152 I CA 0.082 61.471 61.300 0.149 0.000 1.285 152 I CB 0.171 38.181 38.000 0.016 0.000 1.038 152 I HN 0.504 nan 8.210 nan 0.000 0.445 153 G N 0.828 109.585 108.800 -0.072 0.000 2.740 153 G HA2 0.574 4.534 3.960 0.001 0.000 0.296 153 G HA3 0.574 4.534 3.960 0.001 0.000 0.296 153 G C -1.165 173.644 174.900 -0.151 0.000 1.439 153 G CA -0.413 44.473 45.100 -0.357 0.000 1.066 153 G HN 0.099 nan 8.290 nan 0.000 0.527 154 K N 0.638 120.896 120.400 -0.236 0.000 1.684 154 K HA 0.616 4.936 4.320 0.001 0.000 0.298 154 K C -1.109 175.450 176.600 -0.069 0.000 0.860 154 K CA -0.237 55.996 56.287 -0.090 0.000 0.413 154 K CB 0.601 33.168 32.500 0.112 0.000 3.134 154 K HN 0.411 nan 8.250 nan 0.000 1.114 155 V N 1.446 121.422 119.914 0.104 0.000 2.347 155 V HA 0.820 4.941 4.120 0.001 0.000 0.280 155 V C 0.208 176.476 176.094 0.290 0.000 1.021 155 V CA 0.353 62.758 62.300 0.175 0.000 0.847 155 V CB 0.435 32.399 31.823 0.234 0.000 0.990 155 V HN 0.815 nan 8.190 nan 0.000 0.444 156 G N 4.303 113.299 108.800 0.326 0.000 2.348 156 G HA2 0.626 4.587 3.960 0.001 0.000 0.296 156 G HA3 0.626 4.587 3.960 0.001 0.000 0.296 156 G C -1.593 173.548 174.900 0.402 0.000 1.258 156 G CA -0.217 45.153 45.100 0.450 0.000 0.868 156 G HN 0.801 nan 8.290 nan 0.000 0.488 157 F N -0.144 119.931 119.950 0.208 0.000 2.692 157 F HA 0.896 5.424 4.527 0.001 0.000 0.320 157 F C -0.940 175.027 175.800 0.277 0.000 1.123 157 F CA -2.365 55.698 58.000 0.104 0.000 0.961 157 F CB 0.973 39.985 39.000 0.021 0.000 1.383 157 F HN 0.835 nan 8.300 nan 0.000 0.483 158 N N -1.429 117.259 118.700 -0.021 0.000 2.629 158 N HA 0.376 5.116 4.740 0.001 0.000 0.279 158 N C -0.037 174.902 175.510 -0.951 0.000 1.344 158 N CA -0.198 52.654 53.050 -0.330 0.000 0.789 158 N CB 1.114 39.490 38.487 -0.185 0.000 1.508 158 N HN 0.637 nan 8.380 nan 0.000 0.516 159 S N -1.918 112.982 115.700 -1.333 0.000 2.507 159 S HA 0.001 4.472 4.470 0.001 0.000 0.235 159 S C 1.424 175.686 174.600 -0.563 0.000 0.988 159 S CA 0.479 57.874 58.200 -1.340 0.000 0.944 159 S CB -0.712 61.888 63.200 -1.000 0.000 0.762 159 S HN 0.783 nan 8.310 nan 0.000 0.526 160 A N 0.835 123.430 122.820 -0.375 0.000 2.251 160 A HA 0.571 4.892 4.320 0.001 0.000 0.209 160 A C 1.755 179.275 177.584 -0.107 0.000 1.187 160 A CA 0.441 52.367 52.037 -0.185 0.000 0.823 160 A CB -1.027 17.897 19.000 -0.127 0.000 0.846 160 A HN 1.445 nan 8.150 nan 0.000 0.486 161 G N -1.476 107.249 108.800 -0.125 0.000 2.141 161 G HA2 -0.195 3.765 3.960 0.001 0.000 0.242 161 G HA3 -0.195 3.765 3.960 0.001 0.000 0.242 161 G C 0.139 175.108 174.900 0.115 0.000 0.982 161 G CA 0.115 45.243 45.100 0.047 0.000 0.662 161 G HN 0.749 nan 8.290 nan 0.000 0.527 162 V N 1.057 120.990 119.914 0.032 0.000 2.455 162 V HA 0.625 4.745 4.120 0.001 0.000 0.273 162 V C 0.785 176.902 176.094 0.038 0.000 1.045 162 V CA 0.340 62.665 62.300 0.041 0.000 0.976 162 V CB 1.156 32.980 31.823 0.000 0.000 0.993 162 V HN 1.155 nan 8.190 nan 0.000 0.475 163 A N 5.442 128.254 122.820 -0.015 0.000 2.342 163 A HA 0.859 5.179 4.320 0.001 0.000 0.323 163 A C -0.860 176.566 177.584 -0.263 0.000 1.125 163 A CA -0.529 51.301 52.037 -0.345 0.000 0.785 163 A CB 1.653 20.178 19.000 -0.790 0.000 1.221 163 A HN 0.621 nan 8.150 nan 0.000 0.463 164 V N 2.869 122.650 119.914 -0.223 0.000 2.588 164 V HA 0.412 4.532 4.120 0.001 0.000 0.304 164 V C -0.381 175.774 176.094 0.100 0.000 1.042 164 V CA -0.653 61.609 62.300 -0.063 0.000 0.877 164 V CB 1.793 33.571 31.823 -0.075 0.000 0.996 164 V HN 1.027 nan 8.190 nan 0.000 0.425 165 N N 2.113 120.878 118.700 0.108 0.000 2.328 165 N HA 0.699 5.439 4.740 0.001 0.000 0.299 165 N C -1.842 173.793 175.510 0.208 0.000 1.179 165 N CA -0.639 52.535 53.050 0.207 0.000 0.793 165 N CB 2.342 40.987 38.487 0.263 0.000 1.366 165 N HN 0.690 nan 8.380 nan 0.000 0.493 166 Y N 0.910 121.274 120.300 0.107 0.000 2.386 166 Y HA 0.505 5.056 4.550 0.001 0.000 0.334 166 Y C -1.693 174.386 175.900 0.297 0.000 1.002 166 Y CA -0.913 57.253 58.100 0.109 0.000 1.068 166 Y CB 1.029 39.483 38.460 -0.009 0.000 1.203 166 Y HN 0.559 nan 8.280 nan 0.000 0.443 167 N N 3.263 121.895 118.700 -0.114 0.000 2.284 167 N HA 0.704 5.445 4.740 0.001 0.000 0.300 167 N C -1.101 174.128 175.510 -0.468 0.000 1.047 167 N CA -0.634 52.334 53.050 -0.137 0.000 0.821 167 N CB 2.010 40.534 38.487 0.062 0.000 1.337 167 N HN 0.732 nan 8.380 nan 0.000 0.482 168 A N 1.213 123.793 122.820 -0.401 0.000 2.511 168 A HA 0.442 4.763 4.320 0.001 0.000 0.242 168 A C -0.532 176.884 177.584 -0.280 0.000 1.069 168 A CA 0.278 52.025 52.037 -0.484 0.000 0.763 168 A CB -0.192 18.633 19.000 -0.292 0.000 1.001 168 A HN 0.604 nan 8.150 nan 0.000 0.498 169 L N 1.461 122.450 121.223 -0.391 0.000 2.422 169 L HA 0.578 4.919 4.340 0.001 0.000 0.264 169 L C -0.495 176.326 176.870 -0.081 0.000 0.984 169 L CA -0.269 54.512 54.840 -0.098 0.000 0.819 169 L CB 2.015 43.968 42.059 -0.177 0.000 1.330 169 L HN 0.738 nan 8.230 nan 0.000 0.410 170 H N 3.855 122.943 119.070 0.030 0.000 2.488 170 H HA 0.430 4.987 4.556 0.001 0.000 0.294 170 H C -0.490 174.890 175.328 0.085 0.000 1.088 170 H CA -0.367 55.769 56.048 0.146 0.000 1.086 170 H CB -0.273 29.591 29.762 0.170 0.000 1.569 170 H HN 0.268 nan 8.280 nan 0.000 0.548 171 L N 0.931 122.215 121.223 0.101 0.000 2.439 171 L HA 0.092 4.432 4.340 0.001 0.000 0.269 171 L C 0.855 177.779 176.870 0.090 0.000 1.179 171 L CA 0.019 54.892 54.840 0.055 0.000 0.828 171 L CB 0.767 42.808 42.059 -0.030 0.000 1.106 171 L HN 0.339 nan 8.230 nan 0.000 0.467 172 Q N 1.463 121.313 119.800 0.083 0.000 2.340 172 Q HA 0.511 4.852 4.340 0.001 0.000 0.249 172 Q C -0.199 175.853 176.000 0.087 0.000 0.957 172 Q CA 0.281 56.138 55.803 0.089 0.000 0.882 172 Q CB 1.265 30.048 28.738 0.076 0.000 1.235 172 Q HN 0.811 nan 8.270 nan 0.000 0.439 173 G N 1.634 110.487 108.800 0.087 0.000 2.453 173 G HA2 0.173 4.134 3.960 0.001 0.000 0.665 173 G HA3 0.173 4.134 3.960 0.001 0.000 0.665 173 G C -2.334 172.616 174.900 0.082 0.000 1.411 173 G CA -0.697 44.451 45.100 0.080 0.000 0.889 173 G HN 0.637 nan 8.290 nan 0.000 0.651 174 L N 1.261 122.522 121.223 0.062 0.000 2.439 174 L HA 0.885 5.226 4.340 0.001 0.000 0.270 174 L C -0.112 176.782 176.870 0.040 0.000 0.972 174 L CA -0.814 54.055 54.840 0.047 0.000 0.836 174 L CB 1.849 43.918 42.059 0.015 0.000 1.255 174 L HN 0.754 nan 8.230 nan 0.000 0.404 175 R N 6.109 126.637 120.500 0.048 0.000 2.352 175 R HA 0.460 4.801 4.340 0.001 0.000 0.304 175 R C -2.135 174.192 176.300 0.045 0.000 1.104 175 R CA -1.599 54.529 56.100 0.045 0.000 0.991 175 R CB 1.504 31.838 30.300 0.056 0.000 1.140 175 R HN 0.441 nan 8.270 nan 0.000 0.540 176 P HA -0.096 nan 4.420 nan 0.000 0.225 176 P C 0.939 178.280 177.300 0.068 0.000 1.148 176 P CA 1.200 64.318 63.100 0.029 0.000 0.779 176 P CB 0.332 32.036 31.700 0.005 0.000 0.780 177 T N -4.831 109.760 114.554 0.061 0.000 3.081 177 T HA 0.195 4.545 4.350 0.001 0.000 0.255 177 T C 1.187 175.958 174.700 0.117 0.000 1.113 177 T CA 0.108 62.246 62.100 0.063 0.000 1.082 177 T CB -0.715 68.165 68.868 0.020 0.000 0.939 177 T HN 0.000 nan 8.240 nan 0.000 0.506 178 G N 0.943 109.822 108.800 0.131 0.000 2.621 178 G HA2 0.437 4.397 3.960 0.001 0.000 0.271 178 G HA3 0.437 4.397 3.960 0.001 0.000 0.271 178 G C -0.535 174.531 174.900 0.277 0.000 1.236 178 G CA -0.510 44.687 45.100 0.162 0.000 0.958 178 G HN 0.357 nan 8.290 nan 0.000 0.512 179 V N 1.676 121.709 119.914 0.197 0.000 2.455 179 V HA 0.350 4.471 4.120 0.001 0.000 0.273 179 V C -1.862 174.167 176.094 -0.109 0.000 1.045 179 V CA -1.738 60.570 62.300 0.014 0.000 0.976 179 V CB 1.263 33.015 31.823 -0.118 0.000 0.993 179 V HN 0.504 nan 8.190 nan 0.000 0.475 180 P HA 0.121 nan 4.420 nan 0.000 0.269 180 P C 0.788 178.028 177.300 -0.101 0.000 1.209 180 P CA 0.215 63.284 63.100 -0.053 0.000 0.776 180 P CB 0.697 32.384 31.700 -0.021 0.000 0.876 181 S N 1.492 117.210 115.700 0.030 0.000 2.382 181 S HA -0.257 4.213 4.470 0.001 0.000 0.228 181 S C 1.457 175.910 174.600 -0.245 0.000 1.027 181 S CA 1.494 59.698 58.200 0.007 0.000 0.991 181 S CB -1.448 61.904 63.200 0.253 0.000 0.823 181 S HN 0.511 nan 8.310 nan 0.000 0.469 182 H N 1.060 120.008 119.070 -0.203 0.000 2.462 182 H HA 0.196 4.753 4.556 0.000 0.000 0.292 182 H C 1.908 177.017 175.328 -0.365 0.000 1.049 182 H CA 1.312 57.170 56.048 -0.315 0.000 1.334 182 H CB -0.152 29.480 29.762 -0.218 0.000 1.404 182 H HN 0.294 nan 8.280 nan 0.000 0.544 183 I N 0.456 120.862 120.570 -0.274 0.000 2.252 183 I HA -0.165 4.006 4.170 0.001 0.000 0.245 183 I C 2.537 178.373 176.117 -0.467 0.000 1.102 183 I CA 1.169 62.177 61.300 -0.487 0.000 1.385 183 I CB -1.374 36.236 38.000 -0.651 0.000 1.064 183 I HN 0.266 nan 8.210 nan 0.000 0.414 184 A N 1.080 123.671 122.820 -0.382 0.000 1.908 184 A HA -0.170 4.150 4.320 0.001 0.000 0.218 184 A C 2.418 179.834 177.584 -0.279 0.000 1.181 184 A CA 1.311 53.160 52.037 -0.314 0.000 0.627 184 A CB -0.858 17.954 19.000 -0.314 0.000 0.818 184 A HN 0.396 nan 8.150 nan 0.000 0.445 185 L N -1.244 119.781 121.223 -0.330 0.000 2.042 185 L HA -0.214 4.126 4.340 0.001 0.000 0.210 185 L C 2.781 179.442 176.870 -0.350 0.000 1.076 185 L CA 1.840 56.474 54.840 -0.343 0.000 0.749 185 L CB -0.407 41.371 42.059 -0.468 0.000 0.893 185 L HN 0.391 nan 8.230 nan 0.000 0.432 186 R N 0.747 120.995 120.500 -0.421 0.000 2.090 186 R HA -0.080 4.261 4.340 0.001 0.000 0.228 186 R C 2.047 178.184 176.300 -0.273 0.000 1.110 186 R CA 1.351 57.178 56.100 -0.456 0.000 0.973 186 R CB -0.536 29.355 30.300 -0.680 0.000 0.869 186 R HN 0.259 nan 8.270 nan 0.000 0.440 187 I N 0.411 120.855 120.570 -0.210 0.000 2.163 187 I HA -0.299 3.871 4.170 0.001 0.000 0.243 187 I C 2.284 178.369 176.117 -0.052 0.000 1.085 187 I CA 1.580 62.855 61.300 -0.043 0.000 1.347 187 I CB -0.477 37.494 38.000 -0.049 0.000 1.044 187 I HN 0.314 nan 8.210 nan 0.000 0.408 188 A N 0.678 123.442 122.820 -0.094 0.000 1.902 188 A HA -0.156 4.164 4.320 0.001 0.000 0.217 188 A C 2.257 179.797 177.584 -0.073 0.000 1.181 188 A CA 1.403 53.404 52.037 -0.060 0.000 0.623 188 A CB -0.862 18.091 19.000 -0.078 0.000 0.818 188 A HN 0.409 nan 8.150 nan 0.000 0.443 189 L N -0.750 120.394 121.223 -0.132 0.000 2.275 189 L HA -0.120 4.220 4.340 0.001 0.000 0.215 189 L C 1.920 178.741 176.870 -0.082 0.000 1.119 189 L CA 1.059 55.820 54.840 -0.132 0.000 0.790 189 L CB -0.271 41.633 42.059 -0.259 0.000 0.919 189 L HN 0.461 nan 8.230 nan 0.000 0.443 190 E N -1.164 119.004 120.200 -0.053 0.000 2.474 190 E HA 0.093 4.443 4.350 0.001 0.000 0.195 190 E C 0.373 176.968 176.600 -0.009 0.000 1.039 190 E CA -0.247 56.146 56.400 -0.012 0.000 0.881 190 E CB 0.501 30.227 29.700 0.044 0.000 0.970 190 E HN 0.256 nan 8.360 nan 0.000 0.486 191 S N 0.350 116.043 115.700 -0.013 0.000 2.632 191 S HA 0.071 4.541 4.470 0.001 0.000 0.271 191 S C 1.275 175.866 174.600 -0.014 0.000 1.260 191 S CA -0.333 57.867 58.200 -0.001 0.000 1.010 191 S CB 1.403 64.616 63.200 0.022 0.000 0.965 191 S HN 0.291 nan 8.310 nan 0.000 0.534 192 T N -1.681 112.868 114.554 -0.008 0.000 3.065 192 T HA 0.223 4.573 4.350 0.001 0.000 0.252 192 T C 0.512 175.210 174.700 -0.003 0.000 1.099 192 T CA 0.185 62.272 62.100 -0.021 0.000 1.063 192 T CB -0.215 68.638 68.868 -0.024 0.000 0.948 192 T HN 0.604 nan 8.240 nan 0.000 0.506 193 S N -0.334 115.380 115.700 0.022 0.000 2.588 193 S HA 0.543 5.014 4.470 0.001 0.000 0.269 193 S C -2.873 171.782 174.600 0.091 0.000 1.157 193 S CA -1.274 56.954 58.200 0.047 0.000 0.824 193 S CB 1.672 64.897 63.200 0.042 0.000 1.126 193 S HN -0.180 nan 8.310 nan 0.000 0.464 194 P HA -0.045 nan 4.420 nan 0.000 0.216 194 P C 1.444 178.914 177.300 0.283 0.000 1.150 194 P CA 1.526 64.782 63.100 0.261 0.000 0.837 194 P CB -0.086 31.752 31.700 0.230 0.000 0.786 195 S N -0.469 115.309 115.700 0.130 0.000 2.359 195 S HA -0.260 4.210 4.470 0.001 0.000 0.224 195 S C 2.082 176.727 174.600 0.075 0.000 1.035 195 S CA 1.427 59.656 58.200 0.048 0.000 1.018 195 S CB -0.929 62.284 63.200 0.021 0.000 0.876 195 S HN 0.304 nan 8.310 nan 0.000 0.448 196 Q N 0.758 120.602 119.800 0.072 0.000 2.084 196 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 196 Q C 2.279 178.320 176.000 0.069 0.000 0.978 196 Q CA 1.319 57.155 55.803 0.055 0.000 0.844 196 Q CB -0.345 28.415 28.738 0.036 0.000 0.898 196 Q HN 0.554 nan 8.270 nan 0.000 0.426 197 A N 0.114 123.004 122.820 0.116 0.000 1.883 197 A HA -0.247 4.073 4.320 0.001 0.000 0.217 197 A C 1.897 179.569 177.584 0.147 0.000 1.186 197 A CA 1.588 53.710 52.037 0.141 0.000 0.624 197 A CB -1.204 17.919 19.000 0.205 0.000 0.822 197 A HN 0.686 nan 8.150 nan 0.000 0.444 198 Y N 1.241 121.536 120.300 -0.008 0.000 2.097 198 Y HA -0.291 4.260 4.550 0.000 0.000 0.282 198 Y C 2.009 177.808 175.900 -0.168 0.000 1.152 198 Y CA 2.320 60.245 58.100 -0.292 0.000 1.136 198 Y CB -0.365 37.613 38.460 -0.804 0.000 0.975 198 Y HN 0.376 nan 8.280 nan 0.000 0.498 199 D N -0.176 120.214 120.400 -0.017 0.000 2.116 199 D HA -0.194 4.447 4.640 0.001 0.000 0.193 199 D C 2.271 178.503 176.300 -0.114 0.000 0.998 199 D CA 1.800 55.762 54.000 -0.065 0.000 0.836 199 D CB -0.319 40.492 40.800 0.019 0.000 0.951 199 D HN 0.419 nan 8.370 nan 0.000 0.449 200 R N -0.130 120.332 120.500 -0.064 0.000 2.090 200 R HA 0.067 4.407 4.340 0.001 0.000 0.228 200 R C 2.541 178.800 176.300 -0.069 0.000 1.110 200 R CA 0.455 56.531 56.100 -0.039 0.000 0.973 200 R CB -0.139 30.161 30.300 0.000 0.000 0.869 200 R HN 0.247 nan 8.270 nan 0.000 0.440 201 I N 0.172 120.666 120.570 -0.126 0.000 2.163 201 I HA -0.254 3.917 4.170 0.001 0.000 0.240 201 I C 2.198 178.179 176.117 -0.226 0.000 1.081 201 I CA 1.174 62.367 61.300 -0.178 0.000 1.353 201 I CB -0.247 37.635 38.000 -0.198 0.000 1.054 201 I HN -0.044 nan 8.210 nan 0.000 0.407 202 V N 0.853 120.557 119.914 -0.350 0.000 2.490 202 V HA -0.300 3.820 4.120 0.001 0.000 0.250 202 V C 2.464 178.456 176.094 -0.171 0.000 1.061 202 V CA 2.037 64.137 62.300 -0.334 0.000 1.064 202 V CB -0.729 30.779 31.823 -0.524 0.000 0.670 202 V HN 0.518 nan 8.190 nan 0.000 0.461 203 E N -0.177 119.948 120.200 -0.124 0.000 2.209 203 E HA -0.265 4.086 4.350 0.001 0.000 0.196 203 E C 2.094 178.685 176.600 -0.014 0.000 0.993 203 E CA 0.971 57.339 56.400 -0.054 0.000 0.819 203 E CB 0.024 29.706 29.700 -0.029 0.000 0.745 203 E HN 0.568 nan 8.360 nan 0.000 0.477 204 Q N -0.603 119.201 119.800 0.007 0.000 2.364 204 Q HA -0.043 4.298 4.340 0.001 0.000 0.207 204 Q C 1.515 177.541 176.000 0.045 0.000 0.970 204 Q CA 1.153 57.008 55.803 0.085 0.000 0.888 204 Q CB 0.050 28.886 28.738 0.163 0.000 0.951 204 Q HN 0.497 nan 8.270 nan 0.000 0.469 205 G N -0.271 108.525 108.800 -0.007 0.000 2.136 205 G HA2 -0.092 3.868 3.960 0.001 0.000 0.242 205 G HA3 -0.092 3.868 3.960 0.001 0.000 0.242 205 G C 0.372 175.271 174.900 -0.002 0.000 0.989 205 G CA 0.489 45.583 45.100 -0.010 0.000 0.682 205 G HN 0.832 nan 8.290 nan 0.000 0.522 206 G N -1.199 107.594 108.800 -0.012 0.000 2.351 206 G HA2 0.496 4.456 3.960 0.001 0.000 0.472 206 G HA3 0.496 4.456 3.960 0.001 0.000 0.472 206 G C -0.413 174.480 174.900 -0.012 0.000 1.570 206 G CA -0.217 44.879 45.100 -0.007 0.000 0.921 206 G HN 0.738 nan 8.290 nan 0.000 0.674 207 M N 1.489 121.064 119.600 -0.042 0.000 2.247 207 M HA 0.560 5.041 4.480 0.001 0.000 0.326 207 M C 1.640 177.967 176.300 0.045 0.000 1.134 207 M CA -0.029 55.227 55.300 -0.073 0.000 1.136 207 M CB 0.877 33.369 32.600 -0.180 0.000 1.454 207 M HN 1.145 nan 8.290 nan 0.000 0.467 208 A N 1.071 123.928 122.820 0.061 0.000 1.970 208 A HA 0.445 4.765 4.320 0.001 0.000 0.216 208 A C 1.079 178.734 177.584 0.119 0.000 1.170 208 A CA 1.577 53.669 52.037 0.092 0.000 0.645 208 A CB -0.052 19.000 19.000 0.088 0.000 0.816 208 A HN 0.910 nan 8.150 nan 0.000 0.447 209 A N -1.871 121.059 122.820 0.184 0.000 3.742 209 A HA 0.686 5.007 4.320 0.001 0.000 0.282 209 A C -0.304 177.459 177.584 0.298 0.000 1.117 209 A CA 0.363 52.524 52.037 0.205 0.000 0.624 209 A CB -0.031 19.080 19.000 0.184 0.000 1.548 209 A HN 0.587 nan 8.150 nan 0.000 0.723 210 S N -1.080 114.729 115.700 0.181 0.000 2.502 210 S HA 0.793 5.264 4.470 0.001 0.000 0.304 210 S C -0.421 174.021 174.600 -0.265 0.000 1.097 210 S CA 0.413 58.604 58.200 -0.015 0.000 1.045 210 S CB 1.035 64.222 63.200 -0.022 0.000 1.019 210 S HN 2.237 nan 8.310 nan 0.000 0.481 211 A N 3.223 125.553 122.820 -0.817 0.000 2.493 211 A HA 0.779 5.100 4.320 0.001 0.000 0.300 211 A C -2.034 174.956 177.584 -0.989 0.000 1.152 211 A CA -0.696 50.890 52.037 -0.753 0.000 0.643 211 A CB 0.599 19.427 19.000 -0.286 0.000 1.316 211 A HN 1.068 nan 8.150 nan 0.000 0.469 212 F N 0.268 119.802 119.950 -0.693 0.000 2.507 212 F HA 0.823 5.350 4.527 0.001 0.000 0.325 212 F C -1.138 174.556 175.800 -0.176 0.000 1.116 212 F CA -0.802 56.897 58.000 -0.503 0.000 0.930 212 F CB 1.231 39.850 39.000 -0.636 0.000 1.146 212 F HN 0.451 nan 8.300 nan 0.000 0.447 213 I N 7.203 127.301 120.570 -0.787 0.000 2.465 213 I HA 0.405 4.575 4.170 0.001 0.000 0.291 213 I C -0.806 174.689 176.117 -1.037 0.000 1.014 213 I CA -0.757 60.218 61.300 -0.540 0.000 1.093 213 I CB 2.069 40.030 38.000 -0.065 0.000 1.267 213 I HN 0.658 nan 8.210 nan 0.000 0.431 214 M N 7.122 126.319 119.600 -0.673 0.000 2.294 214 M HA 0.613 5.093 4.480 0.001 0.000 0.335 214 M C -1.804 174.234 176.300 -0.437 0.000 1.079 214 M CA -0.568 54.421 55.300 -0.517 0.000 0.982 214 M CB 1.585 34.151 32.600 -0.056 0.000 1.651 214 M HN 0.325 nan 8.290 nan 0.000 0.437 215 V N 4.169 123.643 119.914 -0.735 0.000 2.531 215 V HA 0.907 5.028 4.120 0.001 0.000 0.301 215 V C 0.102 175.986 176.094 -0.349 0.000 1.034 215 V CA -0.561 61.435 62.300 -0.506 0.000 0.865 215 V CB 1.574 33.090 31.823 -0.512 0.000 0.995 215 V HN 1.008 nan 8.190 nan 0.000 0.424 216 G N 3.385 112.117 108.800 -0.112 0.000 2.690 216 G HA2 0.715 4.675 3.960 0.001 0.000 0.293 216 G HA3 0.715 4.675 3.960 0.001 0.000 0.293 216 G C -1.261 173.659 174.900 0.032 0.000 1.399 216 G CA -0.618 44.452 45.100 -0.049 0.000 0.890 216 G HN 0.745 nan 8.290 nan 0.000 0.485 217 N N -1.498 117.153 118.700 -0.082 0.000 3.379 217 N HA 0.536 5.277 4.740 0.001 0.000 0.350 217 N C 1.410 176.648 175.510 -0.452 0.000 1.553 217 N CA 0.069 53.020 53.050 -0.166 0.000 0.712 217 N CB 0.297 38.805 38.487 0.035 0.000 1.880 217 N HN 0.662 nan 8.380 nan 0.000 0.648 218 G N -1.651 107.056 108.800 -0.154 0.000 2.471 218 G HA2 -0.227 3.734 3.960 0.001 0.000 0.219 218 G HA3 -0.227 3.734 3.960 0.001 0.000 0.219 218 G C 1.026 175.975 174.900 0.082 0.000 1.125 218 G CA 1.257 46.340 45.100 -0.029 0.000 0.775 218 G HN 0.802 nan 8.290 nan 0.000 0.548 219 H N 0.292 119.363 119.070 0.002 0.000 2.506 219 H HA 0.272 4.829 4.556 0.001 0.000 0.289 219 H C 0.799 176.139 175.328 0.020 0.000 1.009 219 H CA 0.885 56.946 56.048 0.022 0.000 1.303 219 H CB 0.449 30.217 29.762 0.009 0.000 1.453 219 H HN 0.480 nan 8.280 nan 0.000 0.526 220 E N -0.472 119.672 120.200 -0.092 0.000 2.433 220 E HA 0.653 5.004 4.350 0.001 0.000 0.278 220 E C -1.593 174.843 176.600 -0.274 0.000 0.976 220 E CA -1.237 55.043 56.400 -0.201 0.000 0.793 220 E CB 2.258 31.905 29.700 -0.088 0.000 1.311 220 E HN 0.192 nan 8.360 nan 0.000 0.460 221 A N 1.144 123.732 122.820 -0.386 0.000 2.574 221 A HA 0.714 5.034 4.320 0.001 0.000 0.297 221 A C -1.624 175.857 177.584 -0.171 0.000 1.062 221 A CA -0.812 50.940 52.037 -0.475 0.000 0.686 221 A CB 0.967 19.208 19.000 -1.264 0.000 1.285 221 A HN 0.748 nan 8.150 nan 0.000 0.403 222 F N -0.031 119.806 119.950 -0.188 0.000 2.613 222 F HA 0.899 5.426 4.527 0.000 0.000 0.314 222 F C 0.117 175.892 175.800 -0.042 0.000 1.075 222 F CA -0.608 57.331 58.000 -0.102 0.000 0.945 222 F CB 1.390 40.327 39.000 -0.106 0.000 1.310 222 F HN 0.867 nan 8.300 nan 0.000 0.467 223 G N 1.621 110.502 108.800 0.135 0.000 2.432 223 G HA2 0.655 4.616 3.960 0.001 0.000 0.331 223 G HA3 0.655 4.616 3.960 0.001 0.000 0.331 223 G C -2.377 172.658 174.900 0.224 0.000 1.170 223 G CA -0.971 44.156 45.100 0.046 0.000 0.943 223 G HN 0.732 nan 8.290 nan 0.000 0.483 224 L N 0.870 122.031 121.223 -0.104 0.000 2.406 224 L HA 0.411 4.752 4.340 0.001 0.000 0.270 224 L C -0.293 176.707 176.870 0.217 0.000 0.982 224 L CA -0.483 54.495 54.840 0.229 0.000 0.843 224 L CB 1.744 44.030 42.059 0.378 0.000 1.225 224 L HN 0.592 nan 8.230 nan 0.000 0.412 225 E N 4.901 125.318 120.200 0.361 0.000 2.146 225 E HA 0.554 4.904 4.350 0.001 0.000 0.282 225 E C -1.311 175.508 176.600 0.365 0.000 0.989 225 E CA -0.316 56.264 56.400 0.301 0.000 0.799 225 E CB 1.227 31.191 29.700 0.440 0.000 1.088 225 E HN 0.382 nan 8.360 nan 0.000 0.397 226 F N 0.062 120.136 119.950 0.206 0.000 2.613 226 F HA 0.701 5.229 4.527 0.001 0.000 0.310 226 F C -0.352 175.513 175.800 0.108 0.000 1.085 226 F CA -1.039 57.061 58.000 0.166 0.000 0.945 226 F CB 1.222 40.282 39.000 0.100 0.000 1.298 226 F HN 0.320 nan 8.300 nan 0.000 0.455 227 S N -0.117 115.800 115.700 0.362 0.000 2.806 227 S HA 0.675 5.145 4.470 0.001 0.000 0.306 227 S C -2.701 172.047 174.600 0.247 0.000 1.167 227 S CA -1.665 56.689 58.200 0.256 0.000 0.847 227 S CB 1.786 65.071 63.200 0.141 0.000 1.216 227 S HN 0.379 nan 8.310 nan 0.000 0.532 228 P HA 0.065 nan 4.420 nan 0.000 0.225 228 P C 0.781 178.146 177.300 0.109 0.000 1.148 228 P CA 1.259 64.434 63.100 0.126 0.000 0.779 228 P CB -0.219 31.541 31.700 0.100 0.000 0.780 229 T N -6.342 108.286 114.554 0.123 0.000 3.200 229 T HA 0.390 4.740 4.350 0.001 0.000 0.284 229 T C 0.180 174.962 174.700 0.137 0.000 1.009 229 T CA -0.388 61.777 62.100 0.109 0.000 0.907 229 T CB -0.231 68.693 68.868 0.092 0.000 1.120 229 T HN -0.112 nan 8.240 nan 0.000 0.534 230 S N 0.537 116.345 115.700 0.179 0.000 2.570 230 S HA 0.618 5.089 4.470 0.001 0.000 0.286 230 S C -1.849 172.910 174.600 0.265 0.000 1.143 230 S CA -0.765 57.574 58.200 0.231 0.000 0.921 230 S CB 0.780 64.203 63.200 0.372 0.000 1.108 230 S HN 0.425 nan 8.310 nan 0.000 0.456 231 I N 5.295 125.981 120.570 0.193 0.000 2.493 231 I HA 0.480 4.650 4.170 0.001 0.000 0.279 231 I C -0.472 175.737 176.117 0.152 0.000 1.045 231 I CA -0.668 60.756 61.300 0.207 0.000 1.106 231 I CB 1.327 39.388 38.000 0.103 0.000 1.216 231 I HN 0.342 nan 8.210 nan 0.000 0.459 232 R N 5.056 125.650 120.500 0.157 0.000 2.445 232 R HA 0.448 4.788 4.340 0.001 0.000 0.308 232 R C -0.480 175.919 176.300 0.165 0.000 0.961 232 R CA -0.839 55.291 56.100 0.051 0.000 0.862 232 R CB 2.275 32.439 30.300 -0.227 0.000 1.144 232 R HN 0.471 nan 8.270 nan 0.000 0.447 233 K N 2.703 123.190 120.400 0.145 0.000 2.248 233 K HA 0.109 4.430 4.320 0.001 0.000 0.281 233 K C -0.536 176.156 176.600 0.154 0.000 1.054 233 K CA -0.238 56.158 56.287 0.183 0.000 0.903 233 K CB 1.211 33.750 32.500 0.066 0.000 1.077 233 K HN 0.512 nan 8.250 nan 0.000 0.474 234 Q N 3.459 123.399 119.800 0.233 0.000 2.243 234 Q HA 0.311 4.651 4.340 0.001 0.000 0.252 234 Q C -0.641 175.456 176.000 0.162 0.000 0.909 234 Q CA -0.746 55.179 55.803 0.204 0.000 0.922 234 Q CB 1.301 30.220 28.738 0.302 0.000 1.215 234 Q HN 0.511 nan 8.270 nan 0.000 0.427 235 V N 1.013 120.987 119.914 0.099 0.000 3.113 235 V HA 0.548 4.669 4.120 0.001 0.000 0.316 235 V C -0.237 175.886 176.094 0.049 0.000 1.125 235 V CA -1.253 61.078 62.300 0.053 0.000 1.026 235 V CB 1.284 33.115 31.823 0.012 0.000 1.080 235 V HN 0.791 nan 8.190 nan 0.000 0.444 236 L N 2.675 123.906 121.223 0.014 0.000 2.490 236 L HA 0.249 4.589 4.340 0.001 0.000 0.274 236 L C 0.545 177.444 176.870 0.048 0.000 1.201 236 L CA -0.038 54.824 54.840 0.037 0.000 0.869 236 L CB 0.119 42.189 42.059 0.019 0.000 1.123 236 L HN 1.018 nan 8.230 nan 0.000 0.484 237 D N 2.316 122.757 120.400 0.068 0.000 2.447 237 D HA 0.161 4.802 4.640 0.001 0.000 0.265 237 D C 0.935 177.265 176.300 0.051 0.000 1.250 237 D CA -0.094 53.942 54.000 0.060 0.000 1.046 237 D CB 0.700 41.541 40.800 0.069 0.000 1.095 237 D HN 0.478 nan 8.370 nan 0.000 0.555 238 A N -0.516 122.331 122.820 0.044 0.000 2.125 238 A HA -0.177 4.144 4.320 0.001 0.000 0.219 238 A C 1.414 179.022 177.584 0.040 0.000 1.156 238 A CA 1.183 53.242 52.037 0.036 0.000 0.671 238 A CB -1.085 17.934 19.000 0.031 0.000 0.794 238 A HN 0.656 nan 8.150 nan 0.000 0.459 239 N N -1.048 117.683 118.700 0.051 0.000 2.268 239 N HA 0.335 5.075 4.740 0.001 0.000 0.204 239 N C 0.823 176.379 175.510 0.076 0.000 1.124 239 N CA 0.412 53.496 53.050 0.057 0.000 0.838 239 N CB 0.355 38.877 38.487 0.058 0.000 0.994 239 N HN 0.504 nan 8.380 nan 0.000 0.489 240 G N 1.255 110.104 108.800 0.081 0.000 2.160 240 G HA2 -0.317 3.643 3.960 0.001 0.000 0.251 240 G HA3 -0.317 3.643 3.960 0.001 0.000 0.251 240 G C -0.100 174.906 174.900 0.176 0.000 1.008 240 G CA 0.023 45.189 45.100 0.111 0.000 0.724 240 G HN 0.291 nan 8.290 nan 0.000 0.514 241 R N -1.086 119.508 120.500 0.156 0.000 2.778 241 R HA 0.814 5.154 4.340 0.001 0.000 0.277 241 R C -0.100 176.309 176.300 0.181 0.000 0.977 241 R CA -0.791 55.426 56.100 0.193 0.000 0.950 241 R CB 1.470 31.856 30.300 0.143 0.000 1.165 241 R HN 0.253 nan 8.270 nan 0.000 0.474 242 M N 1.765 121.503 119.600 0.230 0.000 2.393 242 M HA 0.430 4.911 4.480 0.001 0.000 0.299 242 M C -1.330 175.093 176.300 0.204 0.000 1.103 242 M CA -0.959 54.464 55.300 0.204 0.000 0.910 242 M CB 2.789 35.517 32.600 0.214 0.000 1.659 242 M HN 0.255 nan 8.290 nan 0.000 0.445 243 V N 2.321 122.326 119.914 0.151 0.000 2.709 243 V HA 0.559 4.680 4.120 0.001 0.000 0.308 243 V C -0.953 175.213 176.094 0.120 0.000 1.062 243 V CA -0.692 61.663 62.300 0.092 0.000 0.901 243 V CB 2.144 33.884 31.823 -0.139 0.000 1.003 243 V HN 0.768 nan 8.190 nan 0.000 0.425 244 H N 1.948 120.994 119.070 -0.041 0.000 2.806 244 H HA 0.631 5.187 4.556 0.001 0.000 0.367 244 H C -0.272 174.925 175.328 -0.218 0.000 1.136 244 H CA 0.411 56.282 56.048 -0.294 0.000 1.178 244 H CB 2.725 31.920 29.762 -0.945 0.000 1.718 244 H HN 0.859 nan 8.280 nan 0.000 0.540 245 T N 0.537 114.864 114.554 -0.379 0.000 1.744 245 T HA 0.196 4.547 4.350 0.001 0.000 0.186 245 T C 0.346 174.968 174.700 -0.130 0.000 0.723 245 T CA -0.459 61.545 62.100 -0.161 0.000 1.264 245 T CB 0.362 69.172 68.868 -0.097 0.000 3.334 245 T HN 0.543 nan 8.240 nan 0.000 0.421 246 N N 1.296 119.911 118.700 -0.143 0.000 2.291 246 N HA 0.242 4.983 4.740 0.001 0.000 0.244 246 N C -0.619 174.840 175.510 -0.085 0.000 1.216 246 N CA -0.560 52.462 53.050 -0.046 0.000 0.879 246 N CB 0.338 38.847 38.487 0.037 0.000 1.167 246 N HN 0.654 nan 8.380 nan 0.000 0.515 247 H N -2.269 116.535 119.070 -0.445 0.000 2.985 247 H HA 0.402 4.959 4.556 0.001 0.000 0.360 247 H C -0.999 174.067 175.328 -0.436 0.000 1.221 247 H CA -0.936 54.803 56.048 -0.515 0.000 1.121 247 H CB 0.464 29.552 29.762 -1.124 0.000 1.854 247 H HN -0.164 nan 8.280 nan 0.000 0.551 248 C N 2.525 121.682 119.300 -0.239 0.000 2.627 248 C HA 0.123 4.584 4.460 0.001 0.000 0.404 248 C C 2.190 177.043 174.990 -0.228 0.000 1.340 248 C CA -0.318 58.625 59.018 -0.125 0.000 1.758 248 C CB -1.472 26.269 27.740 0.001 0.000 2.501 248 C HN 0.647 nan 8.230 nan 0.000 0.588 249 L N 3.179 124.238 121.223 -0.273 0.000 2.513 249 L HA 0.217 4.558 4.340 0.001 0.000 0.222 249 L C 0.489 177.330 176.870 -0.048 0.000 1.096 249 L CA 0.538 55.210 54.840 -0.279 0.000 0.857 249 L CB -0.349 41.455 42.059 -0.425 0.000 1.026 249 L HN 0.574 nan 8.230 nan 0.000 0.469 250 L N -0.273 120.986 121.223 0.060 0.000 2.352 250 L HA 0.354 4.695 4.340 0.001 0.000 0.269 250 L C 0.094 177.020 176.870 0.092 0.000 1.034 250 L CA -0.556 54.315 54.840 0.051 0.000 0.806 250 L CB 1.342 43.406 42.059 0.008 0.000 1.244 250 L HN -0.038 nan 8.230 nan 0.000 0.447 251 Q N 1.830 121.645 119.800 0.025 0.000 2.286 251 Q HA 0.137 4.477 4.340 0.001 0.000 0.267 251 Q C -0.827 175.161 176.000 -0.021 0.000 1.028 251 Q CA 0.058 55.893 55.803 0.053 0.000 0.901 251 Q CB 0.422 29.182 28.738 0.036 0.000 1.183 251 Q HN 0.431 nan 8.270 nan 0.000 0.392 252 H N 1.788 120.896 119.070 0.064 0.000 2.570 252 H HA 0.368 4.924 4.556 0.001 0.000 0.342 252 H C 0.248 175.614 175.328 0.062 0.000 1.245 252 H CA -0.362 55.728 56.048 0.070 0.000 1.318 252 H CB 1.179 30.988 29.762 0.077 0.000 1.694 252 H HN 0.887 nan 8.280 nan 0.000 0.592 253 G N 0.377 109.289 108.800 0.188 0.000 2.690 253 G HA2 -0.089 3.871 3.960 0.001 0.000 0.239 253 G HA3 -0.089 3.871 3.960 0.001 0.000 0.239 253 G C 0.973 175.939 174.900 0.111 0.000 1.233 253 G CA -0.344 44.828 45.100 0.120 0.000 0.847 253 G HN 0.482 nan 8.290 nan 0.000 0.588 254 K N 0.251 120.699 120.400 0.080 0.000 2.103 254 K HA -0.119 4.202 4.320 0.001 0.000 0.207 254 K C 1.966 178.605 176.600 0.066 0.000 1.048 254 K CA 1.297 57.625 56.287 0.067 0.000 0.930 254 K CB -0.174 32.357 32.500 0.051 0.000 0.716 254 K HN 0.534 nan 8.250 nan 0.000 0.444 255 N N 1.108 119.849 118.700 0.068 0.000 2.463 255 N HA -0.070 4.671 4.740 0.001 0.000 0.181 255 N C -0.335 175.215 175.510 0.066 0.000 1.078 255 N CA 0.235 53.321 53.050 0.061 0.000 0.902 255 N CB 0.283 38.804 38.487 0.057 0.000 0.970 255 N HN 0.028 nan 8.380 nan 0.000 0.451 256 E N 0.870 121.118 120.200 0.080 0.000 2.415 256 E HA -0.013 4.338 4.350 0.001 0.000 0.263 256 E C -0.347 176.283 176.600 0.050 0.000 0.995 256 E CA 0.424 56.865 56.400 0.068 0.000 0.915 256 E CB 0.843 30.592 29.700 0.081 0.000 0.951 256 E HN 0.190 nan 8.360 nan 0.000 0.449 257 K N 2.585 123.010 120.400 0.042 0.000 2.463 257 K HA 0.186 4.506 4.320 0.001 0.000 0.255 257 K C -0.807 175.824 176.600 0.051 0.000 0.942 257 K CA -0.448 55.867 56.287 0.047 0.000 0.814 257 K CB 1.239 33.770 32.500 0.051 0.000 1.122 257 K HN 0.341 nan 8.250 nan 0.000 0.425 258 E N 4.853 125.088 120.200 0.058 0.000 2.194 258 E HA 0.174 4.525 4.350 0.001 0.000 0.284 258 E C -1.010 175.652 176.600 0.103 0.000 1.035 258 E CA -0.449 56.003 56.400 0.087 0.000 0.836 258 E CB 0.638 30.396 29.700 0.098 0.000 1.070 258 E HN 0.468 nan 8.360 nan 0.000 0.401 259 L N 5.152 126.462 121.223 0.144 0.000 2.262 259 L HA 0.240 4.581 4.340 0.001 0.000 0.288 259 L C -0.491 176.463 176.870 0.141 0.000 1.035 259 L CA -0.657 54.264 54.840 0.135 0.000 0.820 259 L CB 1.004 43.152 42.059 0.148 0.000 1.204 259 L HN 0.657 nan 8.230 nan 0.000 0.424 260 D N 1.995 122.436 120.400 0.068 0.000 2.697 260 D HA -0.129 4.512 4.640 0.001 0.000 0.235 260 D C -2.087 174.171 176.300 -0.070 0.000 1.167 260 D CA 0.375 54.392 54.000 0.028 0.000 0.656 260 D CB -0.707 40.133 40.800 0.066 0.000 1.025 260 D HN 0.326 nan 8.370 nan 0.000 0.419 261 P HA 0.140 nan 4.420 nan 0.000 0.274 261 P C 0.584 177.827 177.300 -0.095 0.000 1.237 261 P CA -0.629 62.297 63.100 -0.291 0.000 0.793 261 P CB 0.875 32.580 31.700 0.008 0.000 0.977 262 L N 3.762 124.915 121.223 -0.117 0.000 2.477 262 L HA 0.050 4.391 4.340 0.001 0.000 0.272 262 L C -1.087 175.844 176.870 0.102 0.000 1.157 262 L CA -1.310 53.517 54.840 -0.022 0.000 0.889 262 L CB 0.167 42.213 42.059 -0.021 0.000 1.158 262 L HN 0.296 nan 8.230 nan 0.000 0.473 263 P HA -0.199 nan 4.420 nan 0.000 0.216 263 P C 0.894 178.227 177.300 0.056 0.000 1.150 263 P CA 1.240 64.310 63.100 -0.051 0.000 0.837 263 P CB 0.033 31.600 31.700 -0.223 0.000 0.786 264 D N -1.461 118.911 120.400 -0.047 0.000 2.351 264 D HA -0.120 4.521 4.640 0.001 0.000 0.216 264 D C 1.815 178.155 176.300 0.065 0.000 0.968 264 D CA 0.823 54.815 54.000 -0.013 0.000 0.899 264 D CB -0.885 39.892 40.800 -0.039 0.000 0.907 264 D HN 0.023 nan 8.370 nan 0.000 0.514 265 S N -0.986 114.763 115.700 0.081 0.000 2.383 265 S HA -0.161 4.310 4.470 0.001 0.000 0.229 265 S C 1.541 176.098 174.600 -0.070 0.000 1.030 265 S CA 1.001 59.193 58.200 -0.013 0.000 1.002 265 S CB -0.508 62.614 63.200 -0.130 0.000 0.829 265 S HN 0.514 nan 8.310 nan 0.000 0.467 266 W N 1.478 122.616 121.300 -0.270 0.000 2.378 266 W HA -0.066 4.595 4.660 0.001 0.000 0.313 266 W C 2.072 178.568 176.519 -0.037 0.000 1.197 266 W CA 1.002 58.209 57.345 -0.231 0.000 1.304 266 W CB -1.194 28.065 29.460 -0.335 0.000 1.148 266 W HN 0.402 nan 8.180 nan 0.000 0.494 267 N N 0.342 119.144 118.700 0.171 0.000 2.061 267 N HA -0.188 4.553 4.740 0.001 0.000 0.193 267 N C 1.691 177.242 175.510 0.068 0.000 1.030 267 N CA 1.817 54.919 53.050 0.086 0.000 0.856 267 N CB -0.782 37.730 38.487 0.042 0.000 1.023 267 N HN 0.093 nan 8.380 nan 0.000 0.424 268 R N -0.517 120.024 120.500 0.067 0.000 2.092 268 R HA -0.072 4.269 4.340 0.001 0.000 0.231 268 R C 2.133 178.446 176.300 0.021 0.000 1.119 268 R CA 0.949 57.070 56.100 0.035 0.000 0.970 268 R CB -0.438 29.882 30.300 0.032 0.000 0.864 268 R HN 0.477 nan 8.270 nan 0.000 0.440 269 H N 1.318 120.374 119.070 -0.024 0.000 2.290 269 H HA -0.127 4.429 4.556 0.001 0.000 0.298 269 H C 1.781 177.101 175.328 -0.013 0.000 1.087 269 H CA 1.738 57.755 56.048 -0.051 0.000 1.291 269 H CB 0.380 30.098 29.762 -0.075 0.000 1.369 269 H HN 0.192 nan 8.280 nan 0.000 0.492 270 Q N 0.456 120.310 119.800 0.090 0.000 2.084 270 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 270 Q C 2.543 178.550 176.000 0.011 0.000 0.978 270 Q CA 1.033 56.870 55.803 0.057 0.000 0.844 270 Q CB -0.551 28.247 28.738 0.101 0.000 0.898 270 Q HN 0.259 nan 8.270 nan 0.000 0.426 271 R N 1.124 121.625 120.500 0.001 0.000 2.094 271 R HA -0.151 4.189 4.340 0.001 0.000 0.239 271 R C 2.143 178.451 176.300 0.012 0.000 1.137 271 R CA 1.913 58.020 56.100 0.012 0.000 0.943 271 R CB -0.691 29.601 30.300 -0.014 0.000 0.850 271 R HN 0.232 nan 8.270 nan 0.000 0.433 272 M N 0.919 120.458 119.600 -0.102 0.000 2.159 272 M HA -0.070 4.410 4.480 0.001 0.000 0.263 272 M C 1.575 177.770 176.300 -0.176 0.000 1.063 272 M CA 1.774 56.956 55.300 -0.198 0.000 1.110 272 M CB -0.267 32.177 32.600 -0.261 0.000 1.374 272 M HN 0.264 nan 8.290 nan 0.000 0.411 273 E N -0.983 119.110 120.200 -0.178 0.000 2.077 273 E HA -0.230 4.120 4.350 0.001 0.000 0.193 273 E C 1.958 178.549 176.600 -0.015 0.000 0.989 273 E CA 1.675 58.002 56.400 -0.121 0.000 0.800 273 E CB -0.581 29.031 29.700 -0.146 0.000 0.746 273 E HN 0.618 nan 8.360 nan 0.000 0.452 274 F N 1.770 121.664 119.950 -0.095 0.000 2.095 274 F HA -0.201 4.326 4.527 0.001 0.000 0.298 274 F C 2.056 177.821 175.800 -0.058 0.000 1.104 274 F CA 1.307 59.273 58.000 -0.057 0.000 1.232 274 F CB -0.211 38.760 39.000 -0.048 0.000 0.987 274 F HN -0.104 nan 8.300 nan 0.000 0.475 275 L N -0.044 121.133 121.223 -0.077 0.000 2.046 275 L HA -0.243 4.097 4.340 0.001 0.000 0.208 275 L C 2.496 179.247 176.870 -0.198 0.000 1.077 275 L CA 1.232 55.956 54.840 -0.194 0.000 0.747 275 L CB -0.817 41.150 42.059 -0.154 0.000 0.896 275 L HN 0.237 nan 8.230 nan 0.000 0.432 276 L N -0.690 120.433 121.223 -0.166 0.000 2.191 276 L HA -0.212 4.129 4.340 0.001 0.000 0.212 276 L C 2.161 179.053 176.870 0.038 0.000 1.103 276 L CA 0.785 55.593 54.840 -0.052 0.000 0.769 276 L CB -0.545 41.477 42.059 -0.062 0.000 0.908 276 L HN 0.313 nan 8.230 nan 0.000 0.438 277 D N 0.102 120.447 120.400 -0.091 0.000 2.144 277 D HA -0.117 4.523 4.640 0.001 0.000 0.200 277 D C 1.953 178.176 176.300 -0.129 0.000 0.978 277 D CA 1.539 55.473 54.000 -0.110 0.000 0.833 277 D CB 0.194 40.889 40.800 -0.174 0.000 0.961 277 D HN 0.374 nan 8.370 nan 0.000 0.470 278 G N -0.538 108.143 108.800 -0.199 0.000 2.887 278 G HA2 -0.057 3.904 3.960 0.001 0.000 0.211 278 G HA3 -0.057 3.904 3.960 0.001 0.000 0.211 278 G C 0.419 175.305 174.900 -0.023 0.000 1.152 278 G CA -0.460 44.548 45.100 -0.154 0.000 0.769 278 G HN 0.098 nan 8.290 nan 0.000 0.541 279 F N 3.353 123.221 119.950 -0.136 0.000 2.612 279 F HA 0.095 4.622 4.527 0.000 0.000 0.389 279 F C 1.317 177.090 175.800 -0.044 0.000 1.055 279 F CA -1.096 56.859 58.000 -0.076 0.000 1.232 279 F CB 0.938 39.907 39.000 -0.052 0.000 1.044 279 F HN 0.194 nan 8.300 nan 0.000 0.560 280 D N 2.790 122.935 120.400 -0.425 0.000 2.355 280 D HA 0.127 4.767 4.640 0.001 0.000 0.218 280 D C 1.653 177.527 176.300 -0.709 0.000 1.004 280 D CA 0.794 54.528 54.000 -0.442 0.000 0.880 280 D CB -0.155 40.518 40.800 -0.212 0.000 0.911 280 D HN 0.892 nan 8.370 nan 0.000 0.528 281 G N -0.061 107.773 108.800 -1.610 0.000 2.213 281 G HA2 -0.263 3.698 3.960 0.001 0.000 0.236 281 G HA3 -0.263 3.698 3.960 0.001 0.000 0.236 281 G C 0.545 175.182 174.900 -0.439 0.000 0.991 281 G CA 0.379 44.773 45.100 -1.177 0.000 0.629 281 G HN 0.807 nan 8.290 nan 0.000 0.517 282 T N -1.137 113.265 114.554 -0.254 0.000 2.898 282 T HA 0.492 4.842 4.350 0.001 0.000 0.301 282 T C 1.268 176.099 174.700 0.219 0.000 1.049 282 T CA 0.746 62.852 62.100 0.009 0.000 1.095 282 T CB 1.958 70.832 68.868 0.011 0.000 0.976 282 T HN 0.328 nan 8.240 nan 0.000 0.539 283 K N 0.684 121.181 120.400 0.162 0.000 2.097 283 K HA -0.207 4.114 4.320 0.001 0.000 0.206 283 K C 2.363 179.112 176.600 0.248 0.000 1.049 283 K CA 1.529 57.941 56.287 0.209 0.000 0.933 283 K CB -0.174 32.392 32.500 0.111 0.000 0.717 283 K HN 0.857 nan 8.250 nan 0.000 0.442 284 Q N 0.038 119.941 119.800 0.172 0.000 2.050 284 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 284 Q C 1.875 177.980 176.000 0.175 0.000 0.980 284 Q CA 1.769 57.657 55.803 0.141 0.000 0.840 284 Q CB -0.219 28.572 28.738 0.089 0.000 0.898 284 Q HN 0.389 nan 8.270 nan 0.000 0.424 285 A N 0.124 123.082 122.820 0.230 0.000 1.933 285 A HA -0.183 4.137 4.320 0.001 0.000 0.218 285 A C 1.864 179.625 177.584 0.294 0.000 1.175 285 A CA 1.270 53.475 52.037 0.280 0.000 0.628 285 A CB -0.970 18.243 19.000 0.356 0.000 0.814 285 A HN 0.625 nan 8.150 nan 0.000 0.444 286 F N 0.949 121.060 119.950 0.268 0.000 2.134 286 F HA -0.081 4.446 4.527 0.000 0.000 0.299 286 F C 2.530 178.345 175.800 0.026 0.000 1.097 286 F CA 1.091 59.058 58.000 -0.054 0.000 1.264 286 F CB -0.409 38.643 39.000 0.088 0.000 1.001 286 F HN 0.251 nan 8.300 nan 0.000 0.479 287 A N -0.200 122.753 122.820 0.221 0.000 1.902 287 A HA -0.251 4.070 4.320 0.001 0.000 0.217 287 A C 2.112 179.751 177.584 0.092 0.000 1.181 287 A CA 1.866 54.022 52.037 0.197 0.000 0.623 287 A CB -0.860 18.235 19.000 0.158 0.000 0.818 287 A HN 0.589 nan 8.150 nan 0.000 0.443 288 Q N -0.432 119.374 119.800 0.010 0.000 2.224 288 Q HA -0.027 4.313 4.340 0.001 0.000 0.203 288 Q C 1.934 177.845 176.000 -0.150 0.000 0.970 288 Q CA 0.994 56.777 55.803 -0.033 0.000 0.865 288 Q CB -0.330 28.405 28.738 -0.005 0.000 0.922 288 Q HN 0.704 nan 8.270 nan 0.000 0.445 289 L N -1.128 119.872 121.223 -0.372 0.000 2.079 289 L HA -0.192 4.149 4.340 0.001 0.000 0.210 289 L C 1.685 178.198 176.870 -0.594 0.000 1.081 289 L CA 1.284 55.758 54.840 -0.611 0.000 0.752 289 L CB -0.491 40.926 42.059 -1.070 0.000 0.896 289 L HN 0.402 nan 8.230 nan 0.000 0.433 290 W N -0.505 120.642 121.300 -0.255 0.000 2.699 290 W HA 0.018 4.679 4.660 0.002 0.000 0.249 290 W C 2.193 178.641 176.519 -0.119 0.000 1.280 290 W CA 0.350 57.574 57.345 -0.202 0.000 1.345 290 W CB -0.204 29.120 29.460 -0.228 0.000 1.128 290 W HN 0.043 nan 8.180 nan 0.000 0.642 291 A N -0.232 122.617 122.820 0.048 0.000 2.307 291 A HA 0.048 4.369 4.320 0.001 0.000 0.218 291 A C 0.078 177.669 177.584 0.012 0.000 1.228 291 A CA -0.096 51.965 52.037 0.039 0.000 0.857 291 A CB -0.566 18.452 19.000 0.029 0.000 0.897 291 A HN 0.092 nan 8.150 nan 0.000 0.495 292 D N 0.392 120.775 120.400 -0.028 0.000 2.458 292 D HA 0.099 4.740 4.640 0.001 0.000 0.243 292 D C 0.607 176.922 176.300 0.024 0.000 1.146 292 D CA 0.649 54.635 54.000 -0.024 0.000 0.877 292 D CB 0.480 41.239 40.800 -0.069 0.000 1.176 292 D HN 0.381 nan 8.370 nan 0.000 0.461 293 E N 1.942 122.169 120.200 0.044 0.000 2.624 293 E HA 0.048 4.399 4.350 0.001 0.000 0.210 293 E C -0.674 175.986 176.600 0.100 0.000 0.997 293 E CA -0.346 56.116 56.400 0.104 0.000 0.999 293 E CB 0.451 30.222 29.700 0.119 0.000 1.040 293 E HN 0.513 nan 8.360 nan 0.000 0.469 294 D N 1.212 121.644 120.400 0.053 0.000 2.493 294 D HA -0.069 4.571 4.640 0.001 0.000 0.240 294 D C 0.431 176.774 176.300 0.071 0.000 1.142 294 D CA 0.864 54.889 54.000 0.042 0.000 0.872 294 D CB 0.270 41.072 40.800 0.004 0.000 1.173 294 D HN -0.021 nan 8.370 nan 0.000 0.467 295 N N 2.017 120.770 118.700 0.089 0.000 2.776 295 N HA -0.286 4.454 4.740 0.001 0.000 0.250 295 N C -1.117 174.494 175.510 0.167 0.000 1.112 295 N CA 0.349 53.479 53.050 0.134 0.000 0.733 295 N CB -1.957 36.603 38.487 0.121 0.000 1.097 295 N HN 0.502 nan 8.380 nan 0.000 0.558 296 Y N 0.980 121.278 120.300 -0.005 0.000 2.904 296 Y HA 0.074 4.624 4.550 0.001 0.000 0.336 296 Y C -1.001 174.783 175.900 -0.194 0.000 1.263 296 Y CA -0.055 57.992 58.100 -0.089 0.000 1.547 296 Y CB 0.710 39.124 38.460 -0.077 0.000 1.272 296 Y HN 0.161 nan 8.280 nan 0.000 0.596 297 P HA -0.010 nan 4.420 nan 0.000 0.255 297 P C -0.030 176.781 177.300 -0.815 0.000 1.248 297 P CA 0.672 62.940 63.100 -1.386 0.000 0.807 297 P CB -0.077 30.831 31.700 -1.320 0.000 1.150 298 F N 0.963 120.774 119.950 -0.232 0.000 2.696 298 F HA 0.101 4.628 4.527 0.001 0.000 0.296 298 F C 1.411 177.155 175.800 -0.093 0.000 1.181 298 F CA -0.385 57.529 58.000 -0.143 0.000 1.411 298 F CB -1.049 37.892 39.000 -0.097 0.000 1.014 298 F HN -0.123 nan 8.300 nan 0.000 0.512 299 S N -0.583 115.116 115.700 -0.003 0.000 2.624 299 S HA 0.306 4.776 4.470 0.001 0.000 0.263 299 S C 1.498 176.111 174.600 0.022 0.000 1.287 299 S CA -0.734 57.486 58.200 0.033 0.000 0.990 299 S CB 1.061 64.293 63.200 0.055 0.000 0.950 299 S HN 0.240 nan 8.310 nan 0.000 0.561 300 I N -0.141 120.444 120.570 0.024 0.000 2.151 300 I HA -0.161 4.009 4.170 0.001 0.000 0.243 300 I C 1.618 177.766 176.117 0.051 0.000 1.080 300 I CA 1.150 62.467 61.300 0.029 0.000 1.339 300 I CB -0.239 37.753 38.000 -0.014 0.000 1.039 300 I HN 0.663 nan 8.210 nan 0.000 0.409 301 C N 3.641 122.969 119.300 0.047 0.000 2.218 301 C HA 0.251 4.711 4.460 0.001 0.000 0.353 301 C C 0.978 175.977 174.990 0.015 0.000 1.070 301 C CA -0.713 58.336 59.018 0.051 0.000 1.497 301 C CB -1.594 26.188 27.740 0.070 0.000 1.951 301 C HN 0.214 nan 8.230 nan 0.000 0.493 302 R N 3.535 124.019 120.500 -0.027 0.000 2.490 302 R HA 0.577 4.917 4.340 0.001 0.000 0.280 302 R C -0.110 176.117 176.300 -0.122 0.000 1.077 302 R CA 0.081 56.122 56.100 -0.099 0.000 1.065 302 R CB 0.787 31.032 30.300 -0.091 0.000 1.003 302 R HN 0.825 nan 8.270 nan 0.000 0.470 303 A N 3.482 126.140 122.820 -0.270 0.000 2.401 303 A HA 0.261 4.581 4.320 0.001 0.000 0.310 303 A C -1.666 175.780 177.584 -0.229 0.000 1.075 303 A CA -0.647 51.252 52.037 -0.231 0.000 0.746 303 A CB 0.946 19.739 19.000 -0.344 0.000 1.277 303 A HN 0.781 nan 8.150 nan 0.000 0.425 304 Y N 1.396 121.595 120.300 -0.170 0.000 2.402 304 Y HA 0.404 4.954 4.550 0.001 0.000 0.333 304 Y C 0.080 175.895 175.900 -0.141 0.000 1.076 304 Y CA 0.685 58.702 58.100 -0.137 0.000 1.299 304 Y CB 0.556 38.981 38.460 -0.059 0.000 1.197 304 Y HN 0.642 nan 8.280 nan 0.000 0.517 305 E N 5.593 125.289 120.200 -0.840 0.000 2.241 305 E HA 0.061 4.411 4.350 0.001 0.000 0.263 305 E C -1.251 174.832 176.600 -0.862 0.000 0.882 305 E CA -0.805 55.195 56.400 -0.668 0.000 0.769 305 E CB 1.576 31.031 29.700 -0.408 0.000 1.185 305 E HN 0.680 nan 8.360 nan 0.000 0.415 306 E N 1.365 121.174 120.200 -0.650 0.000 2.271 306 E HA 0.083 4.433 4.350 0.001 0.000 0.255 306 E C 0.673 177.169 176.600 -0.173 0.000 1.177 306 E CA 0.727 56.941 56.400 -0.311 0.000 0.946 306 E CB -0.173 29.555 29.700 0.048 0.000 1.009 306 E HN 0.884 nan 8.360 nan 0.000 0.451 307 G N 4.085 112.789 108.800 -0.161 0.000 2.296 307 G HA2 -0.207 3.754 3.960 0.001 0.000 0.188 307 G HA3 -0.207 3.754 3.960 0.001 0.000 0.188 307 G C 0.838 175.700 174.900 -0.063 0.000 1.000 307 G CA 0.220 45.274 45.100 -0.076 0.000 0.672 307 G HN 0.521 nan 8.290 nan 0.000 0.483 308 K N -0.620 119.701 120.400 -0.132 0.000 2.418 308 K HA 0.392 4.712 4.320 0.001 0.000 0.208 308 K C 0.526 177.125 176.600 -0.001 0.000 1.261 308 K CA 0.741 57.003 56.287 -0.041 0.000 0.874 308 K CB 0.883 33.276 32.500 -0.179 0.000 1.451 308 K HN 0.218 nan 8.250 nan 0.000 0.466 309 S N 0.533 116.082 115.700 -0.251 0.000 2.519 309 S HA 0.320 4.790 4.470 0.001 0.000 0.309 309 S C 0.209 174.689 174.600 -0.200 0.000 1.100 309 S CA -0.686 57.399 58.200 -0.191 0.000 1.059 309 S CB 1.299 64.265 63.200 -0.390 0.000 1.008 309 S HN 0.155 nan 8.310 nan 0.000 0.478 310 R N 2.835 123.319 120.500 -0.027 0.000 2.200 310 R HA 0.208 4.548 4.340 0.001 0.000 0.208 310 R C 1.204 177.607 176.300 0.172 0.000 1.033 310 R CA 0.670 56.855 56.100 0.142 0.000 1.000 310 R CB 0.047 30.450 30.300 0.171 0.000 0.906 310 R HN 0.600 nan 8.270 nan 0.000 0.462 311 G N -0.475 108.294 108.800 -0.052 0.000 2.816 311 G HA2 0.734 4.695 3.960 0.001 0.000 0.288 311 G HA3 0.734 4.695 3.960 0.001 0.000 0.288 311 G C -1.586 173.289 174.900 -0.041 0.000 1.334 311 G CA -0.315 44.716 45.100 -0.115 0.000 0.978 311 G HN 0.202 nan 8.290 nan 0.000 0.493 312 A N -1.165 121.626 122.820 -0.048 0.000 2.569 312 A HA 0.792 5.113 4.320 0.001 0.000 0.290 312 A C -0.203 177.353 177.584 -0.046 0.000 1.136 312 A CA -0.528 51.491 52.037 -0.031 0.000 0.710 312 A CB 0.941 19.959 19.000 0.030 0.000 1.303 312 A HN 0.753 nan 8.150 nan 0.000 0.413 313 T N 2.008 116.542 114.554 -0.033 0.000 2.769 313 T HA 0.325 4.676 4.350 0.001 0.000 0.293 313 T C 1.108 175.827 174.700 0.033 0.000 0.931 313 T CA 0.290 62.372 62.100 -0.030 0.000 1.139 313 T CB -0.228 68.630 68.868 -0.017 0.000 0.881 313 T HN 0.433 nan 8.240 nan 0.000 0.532 314 L N 2.911 124.181 121.223 0.079 0.000 2.357 314 L HA 0.386 4.727 4.340 0.001 0.000 0.211 314 L C 0.317 177.379 176.870 0.320 0.000 1.075 314 L CA 0.224 55.191 54.840 0.212 0.000 0.830 314 L CB 0.071 42.335 42.059 0.342 0.000 0.996 314 L HN 0.673 nan 8.230 nan 0.000 0.467 315 F N -2.167 117.865 119.950 0.137 0.000 2.713 315 F HA 0.480 5.008 4.527 0.002 0.000 0.311 315 F C -1.410 174.372 175.800 -0.030 0.000 1.141 315 F CA -1.231 56.788 58.000 0.032 0.000 0.939 315 F CB 1.219 40.220 39.000 0.001 0.000 1.325 315 F HN -0.237 nan 8.300 nan 0.000 0.453 316 N N 1.949 120.673 118.700 0.041 0.000 2.238 316 N HA 0.642 5.383 4.740 0.001 0.000 0.302 316 N C -2.112 173.315 175.510 -0.138 0.000 1.072 316 N CA -0.455 52.461 53.050 -0.222 0.000 0.792 316 N CB 2.725 41.059 38.487 -0.256 0.000 1.425 316 N HN 0.937 nan 8.380 nan 0.000 0.478 317 I N 3.229 123.586 120.570 -0.356 0.000 2.647 317 I HA 0.508 4.678 4.170 0.001 0.000 0.295 317 I C -1.342 174.386 176.117 -0.648 0.000 1.078 317 I CA -0.830 60.200 61.300 -0.450 0.000 1.048 317 I CB 1.817 39.587 38.000 -0.383 0.000 1.239 317 I HN 0.508 nan 8.210 nan 0.000 0.421 318 I N 7.294 127.509 120.570 -0.591 0.000 2.447 318 I HA 0.290 4.461 4.170 0.001 0.000 0.287 318 I C -1.403 174.420 176.117 -0.489 0.000 1.023 318 I CA -0.538 60.538 61.300 -0.373 0.000 1.083 318 I CB 1.569 39.543 38.000 -0.044 0.000 1.245 318 I HN 0.397 nan 8.210 nan 0.000 0.434 319 Y N 3.872 124.055 120.300 -0.196 0.000 2.383 319 Y HA 0.239 4.789 4.550 0.000 0.000 0.344 319 Y C 0.347 176.027 175.900 -0.365 0.000 0.986 319 Y CA -0.849 57.031 58.100 -0.367 0.000 1.175 319 Y CB 0.484 38.665 38.460 -0.465 0.000 1.152 319 Y HN 0.402 nan 8.280 nan 0.000 0.511 320 D N 2.899 123.231 120.400 -0.113 0.000 2.468 320 D HA 0.054 4.694 4.640 0.001 0.000 0.218 320 D C 0.891 177.185 176.300 -0.011 0.000 1.155 320 D CA 0.120 54.083 54.000 -0.062 0.000 0.924 320 D CB 0.127 40.924 40.800 -0.005 0.000 1.029 320 D HN 0.639 nan 8.370 nan 0.000 0.515 321 H N 2.556 121.679 119.070 0.088 0.000 2.387 321 H HA -0.112 4.444 4.556 0.001 0.000 0.299 321 H C 1.741 177.130 175.328 0.102 0.000 1.090 321 H CA 1.420 57.537 56.048 0.115 0.000 1.332 321 H CB 0.099 29.907 29.762 0.077 0.000 1.386 321 H HN 0.555 nan 8.280 nan 0.000 0.516 322 A N 1.185 124.107 122.820 0.170 0.000 1.908 322 A HA -0.193 4.127 4.320 0.001 0.000 0.218 322 A C 2.360 180.013 177.584 0.115 0.000 1.181 322 A CA 1.687 53.795 52.037 0.118 0.000 0.627 322 A CB -0.290 18.756 19.000 0.075 0.000 0.818 322 A HN 0.322 nan 8.150 nan 0.000 0.445 323 R N -2.473 118.096 120.500 0.116 0.000 2.362 323 R HA 0.225 4.566 4.340 0.001 0.000 0.227 323 R C 0.347 176.748 176.300 0.168 0.000 0.905 323 R CA 0.147 56.317 56.100 0.116 0.000 1.067 323 R CB 0.209 30.563 30.300 0.090 0.000 1.078 323 R HN 0.478 nan 8.270 nan 0.000 0.516 324 R N 1.982 122.615 120.500 0.222 0.000 3.251 324 R HA -0.193 4.147 4.340 0.001 0.000 0.249 324 R C -1.409 175.186 176.300 0.490 0.000 0.949 324 R CA 0.782 57.096 56.100 0.357 0.000 0.645 324 R CB -1.196 29.272 30.300 0.280 0.000 1.065 324 R HN 0.332 nan 8.270 nan 0.000 0.452 325 E N -0.434 119.982 120.200 0.360 0.000 2.238 325 E HA 0.637 4.988 4.350 0.001 0.000 0.267 325 E C -1.021 175.573 176.600 -0.009 0.000 0.887 325 E CA -0.469 56.079 56.400 0.246 0.000 0.769 325 E CB 2.001 31.763 29.700 0.104 0.000 1.187 325 E HN 0.374 nan 8.360 nan 0.000 0.416 326 A N 2.043 124.700 122.820 -0.273 0.000 2.304 326 A HA 0.486 4.807 4.320 0.001 0.000 0.314 326 A C -0.513 176.838 177.584 -0.387 0.000 1.187 326 A CA -0.625 51.073 52.037 -0.565 0.000 0.810 326 A CB 1.061 19.387 19.000 -1.124 0.000 1.183 326 A HN 0.472 nan 8.150 nan 0.000 0.487 327 T N 2.386 116.721 114.554 -0.364 0.000 2.744 327 T HA 0.471 4.822 4.350 0.001 0.000 0.291 327 T C -0.157 174.270 174.700 -0.455 0.000 0.957 327 T CA -0.146 61.751 62.100 -0.338 0.000 1.002 327 T CB 0.825 69.569 68.868 -0.207 0.000 0.919 327 T HN 0.401 nan 8.240 nan 0.000 0.468 328 V N 5.245 124.765 119.914 -0.657 0.000 2.398 328 V HA 0.485 4.605 4.120 0.001 0.000 0.286 328 V C 0.174 175.902 176.094 -0.610 0.000 1.026 328 V CA -0.910 60.951 62.300 -0.732 0.000 0.868 328 V CB 1.419 32.541 31.823 -1.168 0.000 0.982 328 V HN 0.731 nan 8.190 nan 0.000 0.443 329 R N 3.788 124.104 120.500 -0.306 0.000 2.360 329 R HA 0.552 4.892 4.340 0.001 0.000 0.318 329 R C -0.948 175.329 176.300 -0.038 0.000 0.950 329 R CA -0.737 55.266 56.100 -0.163 0.000 0.837 329 R CB 1.772 32.014 30.300 -0.098 0.000 1.165 329 R HN 0.574 nan 8.270 nan 0.000 0.458 330 L N 2.554 123.773 121.223 -0.007 0.000 2.371 330 L HA 0.574 4.915 4.340 0.001 0.000 0.272 330 L C 0.775 177.700 176.870 0.091 0.000 1.124 330 L CA 1.304 56.195 54.840 0.086 0.000 0.816 330 L CB 1.081 43.192 42.059 0.087 0.000 1.129 330 L HN 0.846 nan 8.230 nan 0.000 0.448 331 G N 4.175 113.052 108.800 0.128 0.000 2.584 331 G HA2 -0.212 3.748 3.960 0.001 0.000 0.229 331 G HA3 -0.212 3.748 3.960 0.001 0.000 0.229 331 G C -0.417 174.530 174.900 0.077 0.000 1.320 331 G CA -0.183 44.975 45.100 0.096 0.000 0.891 331 G HN 0.828 nan 8.290 nan 0.000 0.573 332 R N 1.066 121.603 120.500 0.061 0.000 2.308 332 R HA 0.367 4.708 4.340 0.001 0.000 0.305 332 R C -1.650 174.678 176.300 0.047 0.000 1.053 332 R CA -1.205 54.927 56.100 0.053 0.000 0.957 332 R CB 1.260 31.596 30.300 0.060 0.000 1.022 332 R HN 0.238 nan 8.270 nan 0.000 0.461 333 P HA -0.160 nan 4.420 nan 0.000 0.223 333 P C 1.046 178.373 177.300 0.045 0.000 1.144 333 P CA 1.229 64.357 63.100 0.047 0.000 0.783 333 P CB 0.179 31.927 31.700 0.080 0.000 0.771 334 T N -3.149 111.434 114.554 0.047 0.000 2.788 334 T HA -0.131 4.220 4.350 0.001 0.000 0.268 334 T C 0.568 175.286 174.700 0.030 0.000 1.044 334 T CA 1.104 63.226 62.100 0.037 0.000 1.139 334 T CB -0.911 67.983 68.868 0.043 0.000 0.867 334 T HN 0.185 nan 8.240 nan 0.000 0.454 335 N N 0.253 118.973 118.700 0.033 0.000 2.827 335 N HA 0.394 5.134 4.740 0.001 0.000 0.240 335 N C -3.662 171.866 175.510 0.030 0.000 1.352 335 N CA -1.771 51.296 53.050 0.028 0.000 0.760 335 N CB 0.735 39.237 38.487 0.025 0.000 1.426 335 N HN 0.102 nan 8.380 nan 0.000 0.561 336 P HA 0.218 nan 4.420 nan 0.000 0.271 336 P C 0.069 177.388 177.300 0.031 0.000 1.216 336 P CA -0.148 62.968 63.100 0.027 0.000 0.776 336 P CB 1.069 32.775 31.700 0.009 0.000 0.881 337 D N 0.651 121.076 120.400 0.041 0.000 2.123 337 D HA -0.124 4.516 4.640 0.001 0.000 0.196 337 D C 0.632 176.959 176.300 0.045 0.000 0.992 337 D CA 1.667 55.693 54.000 0.043 0.000 0.833 337 D CB 0.170 41.000 40.800 0.051 0.000 0.954 337 D HN 0.684 nan 8.370 nan 0.000 0.455 338 E N -1.897 118.334 120.200 0.052 0.000 2.429 338 E HA 0.430 4.780 4.350 0.001 0.000 0.280 338 E C -1.273 175.355 176.600 0.047 0.000 1.068 338 E CA -0.935 55.506 56.400 0.068 0.000 0.837 338 E CB 1.579 31.343 29.700 0.107 0.000 1.357 338 E HN -0.046 nan 8.360 nan 0.000 0.455 339 M N 2.130 121.764 119.600 0.057 0.000 2.386 339 M HA 0.656 5.136 4.480 0.001 0.000 0.293 339 M C -2.072 174.266 176.300 0.062 0.000 1.120 339 M CA -0.584 54.688 55.300 -0.046 0.000 0.909 339 M CB 1.542 34.112 32.600 -0.049 0.000 1.661 339 M HN 0.697 nan 8.290 nan 0.000 0.452 340 F N 2.056 121.960 119.950 -0.077 0.000 2.685 340 F HA 0.887 5.415 4.527 0.002 0.000 0.315 340 F C -2.035 173.702 175.800 -0.104 0.000 1.126 340 F CA -1.138 56.811 58.000 -0.086 0.000 0.950 340 F CB 1.029 39.967 39.000 -0.104 0.000 1.360 340 F HN 0.184 nan 8.300 nan 0.000 0.469 341 V N 2.659 122.651 119.914 0.131 0.000 2.487 341 V HA 0.463 4.584 4.120 0.001 0.000 0.298 341 V C -0.350 175.799 176.094 0.092 0.000 1.028 341 V CA -0.755 61.556 62.300 0.017 0.000 0.860 341 V CB 1.737 33.563 31.823 0.005 0.000 0.991 341 V HN 0.761 nan 8.190 nan 0.000 0.427 342 M N 5.495 125.117 119.600 0.036 0.000 2.209 342 M HA 0.625 5.106 4.480 0.001 0.000 0.355 342 M C -0.305 176.031 176.300 0.059 0.000 1.171 342 M CA -0.256 55.064 55.300 0.034 0.000 1.069 342 M CB 1.414 34.047 32.600 0.056 0.000 1.622 342 M HN 0.539 nan 8.290 nan 0.000 0.459 343 R N 1.663 122.118 120.500 -0.076 0.000 2.771 343 R HA 0.637 4.977 4.340 0.001 0.000 0.274 343 R C -1.569 174.553 176.300 -0.298 0.000 0.987 343 R CA -0.730 55.316 56.100 -0.089 0.000 0.908 343 R CB 2.224 32.539 30.300 0.025 0.000 1.213 343 R HN 0.449 nan 8.270 nan 0.000 0.468 344 F N 1.414 121.381 119.950 0.028 0.000 2.394 344 F HA 0.175 4.701 4.527 -0.001 0.000 0.340 344 F C 0.929 176.735 175.800 0.010 0.000 1.105 344 F CA -0.413 57.580 58.000 -0.013 0.000 1.124 344 F CB 0.772 39.720 39.000 -0.088 0.000 1.145 344 F HN 0.537 nan 8.300 nan 0.000 0.505 345 D N 0.640 121.146 120.400 0.175 0.000 2.539 345 D HA 0.168 4.808 4.640 0.001 0.000 0.276 345 D C 0.502 176.861 176.300 0.099 0.000 1.206 345 D CA -0.492 53.574 54.000 0.110 0.000 1.081 345 D CB 0.376 41.219 40.800 0.073 0.000 1.142 345 D HN 0.587 nan 8.370 nan 0.000 0.595 346 E N -1.101 119.138 120.200 0.065 0.000 2.208 346 E HA -0.103 4.248 4.350 0.001 0.000 0.193 346 E C 1.468 178.092 176.600 0.041 0.000 0.988 346 E CA 0.504 56.932 56.400 0.047 0.000 0.828 346 E CB 0.181 29.902 29.700 0.034 0.000 0.763 346 E HN 0.384 nan 8.360 nan 0.000 0.478 347 E N 1.096 121.323 120.200 0.046 0.000 2.106 347 E HA -0.160 4.190 4.350 0.001 0.000 0.192 347 E C 1.583 178.213 176.600 0.050 0.000 0.984 347 E CA 0.799 57.224 56.400 0.041 0.000 0.806 347 E CB -0.145 29.577 29.700 0.038 0.000 0.750 347 E HN 0.264 nan 8.360 nan 0.000 0.458 348 D N 0.884 121.333 120.400 0.082 0.000 2.123 348 D HA -0.159 4.481 4.640 0.001 0.000 0.196 348 D C 1.797 178.114 176.300 0.029 0.000 0.992 348 D CA 0.965 55.027 54.000 0.103 0.000 0.833 348 D CB -0.067 40.880 40.800 0.244 0.000 0.954 348 D HN 0.364 nan 8.370 nan 0.000 0.455 349 E N 0.353 120.564 120.200 0.019 0.000 2.072 349 E HA -0.063 4.287 4.350 0.001 0.000 0.190 349 E C 2.289 178.878 176.600 -0.018 0.000 0.982 349 E CA 0.356 56.741 56.400 -0.025 0.000 0.803 349 E CB 0.101 29.794 29.700 -0.012 0.000 0.755 349 E HN 0.197 nan 8.360 nan 0.000 0.453 350 R N 0.552 121.052 120.500 0.001 0.000 2.096 350 R HA -0.152 4.189 4.340 0.001 0.000 0.240 350 R C 2.643 178.942 176.300 -0.001 0.000 1.139 350 R CA 1.468 57.569 56.100 0.001 0.000 0.952 350 R CB -0.577 29.729 30.300 0.009 0.000 0.854 350 R HN 0.054 nan 8.270 nan 0.000 0.436 351 S N 0.462 116.165 115.700 0.005 0.000 2.365 351 S HA -0.219 4.251 4.470 0.001 0.000 0.225 351 S C 2.072 176.668 174.600 -0.007 0.000 1.039 351 S CA 1.517 59.721 58.200 0.007 0.000 1.033 351 S CB -0.191 63.021 63.200 0.019 0.000 0.887 351 S HN 0.477 nan 8.310 nan 0.000 0.447 352 A N 0.552 123.357 122.820 -0.025 0.000 2.019 352 A HA 0.128 4.448 4.320 0.001 0.000 0.219 352 A C 2.066 179.629 177.584 -0.035 0.000 1.164 352 A CA 1.260 53.270 52.037 -0.045 0.000 0.644 352 A CB -0.508 18.438 19.000 -0.090 0.000 0.805 352 A HN 0.597 nan 8.150 nan 0.000 0.449 353 L N -1.406 119.801 121.223 -0.027 0.000 2.567 353 L HA 0.086 4.426 4.340 0.001 0.000 0.225 353 L C 0.733 177.596 176.870 -0.012 0.000 1.119 353 L CA 0.249 55.077 54.840 -0.021 0.000 0.871 353 L CB -0.259 41.788 42.059 -0.019 0.000 1.036 353 L HN 0.503 nan 8.230 nan 0.000 0.459 354 N N 0.557 119.253 118.700 -0.008 0.000 2.714 354 N HA -0.193 4.547 4.740 0.001 0.000 0.253 354 N C -0.503 175.006 175.510 -0.002 0.000 1.024 354 N CA 0.728 53.776 53.050 -0.002 0.000 0.726 354 N CB -0.506 37.980 38.487 -0.002 0.000 0.908 354 N HN 0.447 nan 8.380 nan 0.000 0.542 355 A N 0.000 122.819 122.820 -0.001 0.000 2.254 355 A HA 0.000 4.320 4.320 0.001 0.000 0.244 355 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 355 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 355 A HN 0.000 nan 8.150 nan 0.000 0.486