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 2h7s_1_C DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGALLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.504 175.510 -0.010 0.000 1.280 10 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 10 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 11 L N 2.636 123.853 121.223 -0.010 0.000 2.288 11 L HA 0.566 4.906 4.340 -0.001 0.000 0.283 11 L C 0.983 177.861 176.870 0.012 0.000 1.072 11 L CA -0.365 54.469 54.840 -0.009 0.000 0.862 11 L CB 0.535 42.584 42.059 -0.017 0.000 1.245 11 L HN 0.627 nan 8.230 nan 0.000 0.432 12 A N 6.901 129.733 122.820 0.020 0.000 2.567 12 A HA 0.345 4.664 4.320 -0.001 0.000 0.240 12 A C -1.949 175.681 177.584 0.075 0.000 1.053 12 A CA -0.726 51.341 52.037 0.050 0.000 0.755 12 A CB -0.820 18.219 19.000 0.066 0.000 0.978 12 A HN 0.508 nan 8.150 nan 0.000 0.507 13 P HA 0.022 nan 4.420 nan 0.000 0.265 13 P C -0.347 176.990 177.300 0.061 0.000 1.187 13 P CA -0.171 62.958 63.100 0.049 0.000 0.766 13 P CB 0.318 32.040 31.700 0.037 0.000 0.820 14 L N 6.162 127.399 121.223 0.024 0.000 2.433 14 L HA 0.218 4.557 4.340 -0.001 0.000 0.275 14 L C -1.717 175.095 176.870 -0.096 0.000 1.128 14 L CA -1.754 53.059 54.840 -0.046 0.000 0.875 14 L CB -0.632 41.373 42.059 -0.089 0.000 1.171 14 L HN 0.293 nan 8.230 nan 0.000 0.463 15 P HA 0.007 nan 4.420 nan 0.000 0.258 15 P C -2.260 174.920 177.300 -0.199 0.000 1.172 15 P CA -0.837 62.157 63.100 -0.175 0.000 0.762 15 P CB 0.219 31.703 31.700 -0.360 0.000 0.764 16 P HA -0.218 nan 4.420 nan 0.000 0.216 16 P C 1.573 178.909 177.300 0.061 0.000 1.157 16 P CA 1.668 64.786 63.100 0.030 0.000 0.880 16 P CB -0.425 31.308 31.700 0.055 0.000 0.791 17 H N -1.507 117.510 119.070 -0.088 0.000 2.518 17 H HA -0.010 4.545 4.556 -0.001 0.000 0.289 17 H C 0.119 175.407 175.328 -0.066 0.000 1.051 17 H CA 0.620 56.636 56.048 -0.053 0.000 1.280 17 H CB -1.490 28.269 29.762 -0.006 0.000 1.380 17 H HN -0.034 nan 8.280 nan 0.000 0.566 18 V N 4.375 123.992 119.914 -0.495 0.000 2.385 18 V HA 0.235 4.355 4.120 -0.001 0.000 0.269 18 V C -2.155 173.790 176.094 -0.248 0.000 1.043 18 V CA -1.696 60.292 62.300 -0.520 0.000 0.906 18 V CB 1.154 32.203 31.823 -1.288 0.000 0.995 18 V HN 0.198 nan 8.190 nan 0.000 0.467 19 P HA 0.257 nan 4.420 nan 0.000 0.278 19 P C 0.573 177.895 177.300 0.037 0.000 1.238 19 P CA -0.578 62.552 63.100 0.050 0.000 0.794 19 P CB 0.740 32.553 31.700 0.188 0.000 0.955 20 E N 1.271 121.549 120.200 0.129 0.000 2.285 20 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 20 E C 1.184 177.839 176.600 0.091 0.000 0.997 20 E CA 0.712 57.151 56.400 0.065 0.000 0.845 20 E CB -0.649 29.089 29.700 0.064 0.000 0.782 20 E HN 0.569 nan 8.360 nan 0.000 0.491 21 H N 1.007 120.095 119.070 0.031 0.000 2.551 21 H HA 0.108 4.664 4.556 -0.001 0.000 0.266 21 H C 1.482 176.857 175.328 0.079 0.000 0.977 21 H CA 0.297 56.372 56.048 0.045 0.000 1.163 21 H CB -0.232 29.550 29.762 0.033 0.000 1.381 21 H HN 0.214 nan 8.280 nan 0.000 0.581 22 L N 1.110 122.121 121.223 -0.353 0.000 2.612 22 L HA 0.162 4.501 4.340 -0.001 0.000 0.230 22 L C 0.306 177.217 176.870 0.069 0.000 1.140 22 L CA -0.201 54.550 54.840 -0.148 0.000 0.896 22 L CB 0.469 42.471 42.059 -0.096 0.000 1.065 22 L HN -0.040 nan 8.230 nan 0.000 0.447 23 V N 0.554 120.510 119.914 0.072 0.000 2.461 23 V HA 0.206 4.325 4.120 -0.001 0.000 0.275 23 V C -0.759 175.449 176.094 0.190 0.000 1.047 23 V CA -0.151 62.232 62.300 0.138 0.000 0.955 23 V CB 1.432 33.314 31.823 0.097 0.000 0.988 23 V HN 0.069 nan 8.190 nan 0.000 0.471 24 F N 4.121 124.076 119.950 0.008 0.000 2.671 24 F HA 0.450 4.976 4.527 -0.001 0.000 0.332 24 F C -0.029 175.749 175.800 -0.036 0.000 1.189 24 F CA -0.844 57.151 58.000 -0.008 0.000 0.988 24 F CB 1.639 40.635 39.000 -0.006 0.000 1.258 24 F HN 0.475 nan 8.300 nan 0.000 0.471 25 D N 6.657 127.003 120.400 -0.090 0.000 2.845 25 D HA 0.028 4.667 4.640 -0.001 0.000 0.235 25 D C -0.119 176.159 176.300 -0.037 0.000 1.158 25 D CA 0.164 54.123 54.000 -0.068 0.000 0.990 25 D CB -0.328 40.393 40.800 -0.132 0.000 1.094 25 D HN 0.296 nan 8.370 nan 0.000 0.486 26 F N 1.888 121.858 119.950 0.033 0.000 2.590 26 F HA -0.052 4.474 4.527 -0.001 0.000 0.389 26 F C 0.865 176.578 175.800 -0.146 0.000 1.049 26 F CA -0.114 57.867 58.000 -0.031 0.000 1.199 26 F CB 0.494 39.483 39.000 -0.019 0.000 1.058 26 F HN -0.068 nan 8.300 nan 0.000 0.556 27 D N 7.100 127.175 120.400 -0.542 0.000 2.347 27 D HA 0.060 4.699 4.640 -0.001 0.000 0.235 27 D C 0.882 176.836 176.300 -0.576 0.000 1.149 27 D CA -0.322 53.442 54.000 -0.393 0.000 0.850 27 D CB 0.872 41.510 40.800 -0.271 0.000 1.061 27 D HN 0.707 nan 8.370 nan 0.000 0.487 28 M N 3.018 122.471 119.600 -0.245 0.000 2.288 28 M HA -0.078 4.401 4.480 -0.001 0.000 0.266 28 M C 0.466 176.649 176.300 -0.196 0.000 1.072 28 M CA 1.064 56.249 55.300 -0.191 0.000 1.132 28 M CB -0.124 32.445 32.600 -0.052 0.000 1.386 28 M HN 0.196 nan 8.290 nan 0.000 0.432 29 Y N 1.188 121.526 120.300 0.062 0.000 2.571 29 Y HA 0.172 4.721 4.550 -0.001 0.000 0.294 29 Y C 0.574 176.488 175.900 0.022 0.000 1.141 29 Y CA 0.507 58.645 58.100 0.065 0.000 1.308 29 Y CB -0.159 38.329 38.460 0.047 0.000 1.002 29 Y HN 0.499 nan 8.280 nan 0.000 0.551 30 N N 0.255 118.973 118.700 0.031 0.000 2.946 30 N HA 0.132 4.871 4.740 -0.001 0.000 0.213 30 N C -3.342 172.047 175.510 -0.200 0.000 1.440 30 N CA -1.069 51.962 53.050 -0.031 0.000 0.745 30 N CB 1.081 39.569 38.487 0.002 0.000 1.471 30 N HN -0.191 nan 8.380 nan 0.000 0.569 31 P HA 0.254 nan 4.420 nan 0.000 0.282 31 P C 0.698 177.840 177.300 -0.264 0.000 1.249 31 P CA -0.223 62.559 63.100 -0.529 0.000 0.806 31 P CB 1.257 32.566 31.700 -0.651 0.000 0.984 32 S N 1.084 116.627 115.700 -0.263 0.000 2.409 32 S HA -0.203 4.266 4.470 -0.001 0.000 0.237 32 S C 1.040 175.599 174.600 -0.069 0.000 1.060 32 S CA 1.704 59.818 58.200 -0.143 0.000 1.052 32 S CB -0.700 62.416 63.200 -0.139 0.000 0.871 32 S HN 0.566 nan 8.310 nan 0.000 0.465 33 N N 0.580 119.254 118.700 -0.042 0.000 2.467 33 N HA 0.266 5.005 4.740 -0.001 0.000 0.278 33 N C 0.510 176.038 175.510 0.030 0.000 1.306 33 N CA -0.136 52.917 53.050 0.005 0.000 0.905 33 N CB 0.617 39.123 38.487 0.033 0.000 1.236 33 N HN 0.176 nan 8.380 nan 0.000 0.509 34 L N 0.060 121.298 121.223 0.025 0.000 2.265 34 L HA -0.006 4.333 4.340 -0.001 0.000 0.215 34 L C 1.572 178.476 176.870 0.057 0.000 1.117 34 L CA 1.572 56.457 54.840 0.076 0.000 0.782 34 L CB -0.320 41.789 42.059 0.084 0.000 0.914 34 L HN 0.045 nan 8.230 nan 0.000 0.441 35 S N -0.435 115.283 115.700 0.029 0.000 2.481 35 S HA 0.003 4.472 4.470 -0.001 0.000 0.231 35 S C 2.061 176.657 174.600 -0.006 0.000 0.996 35 S CA 0.708 58.915 58.200 0.012 0.000 0.942 35 S CB -0.360 62.847 63.200 0.012 0.000 0.768 35 S HN 0.652 nan 8.310 nan 0.000 0.520 36 A N 1.147 123.974 122.820 0.012 0.000 2.131 36 A HA 0.376 4.695 4.320 -0.001 0.000 0.220 36 A C 1.302 178.877 177.584 -0.014 0.000 1.158 36 A CA 0.943 52.988 52.037 0.014 0.000 0.665 36 A CB -1.062 17.965 19.000 0.045 0.000 0.795 36 A HN 0.945 nan 8.150 nan 0.000 0.460 37 G N -2.832 105.931 108.800 -0.061 0.000 2.712 37 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.686 37 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.686 37 G C 0.498 175.485 174.900 0.145 0.000 1.321 37 G CA -0.057 44.955 45.100 -0.148 0.000 0.813 37 G HN 1.063 nan 8.290 nan 0.000 0.599 38 V N 0.846 121.001 119.914 0.401 0.000 2.535 38 V HA -0.029 4.090 4.120 -0.001 0.000 0.246 38 V C 2.605 178.894 176.094 0.326 0.000 1.045 38 V CA 3.023 65.579 62.300 0.426 0.000 1.058 38 V CB -0.110 32.007 31.823 0.490 0.000 0.689 38 V HN 0.759 nan 8.190 nan 0.000 0.461 39 Q N 0.199 120.090 119.800 0.151 0.000 2.224 39 Q HA -0.180 4.159 4.340 -0.001 0.000 0.203 39 Q C 1.984 178.062 176.000 0.131 0.000 0.970 39 Q CA 1.900 57.740 55.803 0.061 0.000 0.865 39 Q CB -0.160 28.512 28.738 -0.109 0.000 0.922 39 Q HN 0.729 nan 8.270 nan 0.000 0.445 40 E N 0.127 120.405 120.200 0.130 0.000 2.076 40 E HA -0.023 4.327 4.350 -0.001 0.000 0.190 40 E C 1.895 178.591 176.600 0.160 0.000 0.979 40 E CA 0.881 57.344 56.400 0.104 0.000 0.807 40 E CB -0.407 29.332 29.700 0.065 0.000 0.761 40 E HN 0.339 nan 8.360 nan 0.000 0.454 41 A N 0.687 123.635 122.820 0.214 0.000 1.896 41 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 41 A C 1.836 179.605 177.584 0.309 0.000 1.206 41 A CA 2.010 54.194 52.037 0.244 0.000 0.647 41 A CB -1.120 18.017 19.000 0.228 0.000 0.828 41 A HN 0.414 nan 8.150 nan 0.000 0.455 42 W N -1.181 120.228 121.300 0.182 0.000 2.494 42 W HA 0.325 4.985 4.660 -0.001 0.000 0.286 42 W C 2.598 179.078 176.519 -0.064 0.000 1.218 42 W CA 0.718 58.111 57.345 0.079 0.000 1.313 42 W CB -0.422 29.025 29.460 -0.021 0.000 1.105 42 W HN 0.346 nan 8.180 nan 0.000 0.561 43 A N 0.673 123.618 122.820 0.208 0.000 2.248 43 A HA -0.036 4.283 4.320 -0.001 0.000 0.210 43 A C 1.850 179.453 177.584 0.033 0.000 1.174 43 A CA 1.413 53.488 52.037 0.064 0.000 0.750 43 A CB -1.222 17.801 19.000 0.037 0.000 0.780 43 A HN 0.270 nan 8.150 nan 0.000 0.478 44 V N -2.925 117.041 119.914 0.086 0.000 3.241 44 V HA -0.068 4.051 4.120 -0.001 0.000 0.269 44 V C 1.637 177.720 176.094 -0.018 0.000 1.151 44 V CA 1.653 64.012 62.300 0.097 0.000 1.158 44 V CB -0.819 31.141 31.823 0.229 0.000 0.764 44 V HN 0.448 nan 8.190 nan 0.000 0.508 45 L N -0.523 120.595 121.223 -0.175 0.000 2.554 45 L HA 0.138 4.477 4.340 -0.001 0.000 0.226 45 L C 2.509 179.189 176.870 -0.316 0.000 1.137 45 L CA 0.877 55.463 54.840 -0.423 0.000 0.863 45 L CB -0.320 41.384 42.059 -0.591 0.000 0.985 45 L HN 0.343 nan 8.230 nan 0.000 0.451 46 Q N -0.946 118.750 119.800 -0.173 0.000 2.319 46 Q HA 0.060 4.399 4.340 -0.001 0.000 0.209 46 Q C 0.601 176.550 176.000 -0.086 0.000 0.884 46 Q CA -0.222 55.505 55.803 -0.127 0.000 0.938 46 Q CB 0.674 29.358 28.738 -0.091 0.000 1.098 46 Q HN 0.335 nan 8.270 nan 0.000 0.517 47 E N 0.198 120.364 120.200 -0.057 0.000 2.617 47 E HA -0.126 4.223 4.350 -0.001 0.000 0.269 47 E C 1.115 177.700 176.600 -0.026 0.000 1.384 47 E CA 1.000 57.388 56.400 -0.020 0.000 1.195 47 E CB 0.374 30.087 29.700 0.021 0.000 0.975 47 E HN 0.246 nan 8.360 nan 0.000 0.516 48 S N -0.599 115.098 115.700 -0.005 0.000 2.458 48 S HA -0.133 4.336 4.470 -0.001 0.000 0.223 48 S C 1.159 175.762 174.600 0.006 0.000 1.019 48 S CA 0.878 59.073 58.200 -0.007 0.000 0.937 48 S CB -0.403 62.796 63.200 -0.001 0.000 0.788 48 S HN 0.578 nan 8.310 nan 0.000 0.511 49 N N 0.904 119.623 118.700 0.031 0.000 2.421 49 N HA 0.130 4.869 4.740 -0.001 0.000 0.201 49 N C -0.582 174.968 175.510 0.066 0.000 1.198 49 N CA -0.103 52.982 53.050 0.057 0.000 0.838 49 N CB 0.235 38.774 38.487 0.086 0.000 1.011 49 N HN 0.213 nan 8.380 nan 0.000 0.463 50 V N 1.046 120.959 119.914 -0.003 0.000 2.380 50 V HA 0.400 4.519 4.120 -0.001 0.000 0.286 50 V C -2.216 173.813 176.094 -0.110 0.000 1.015 50 V CA -1.783 60.466 62.300 -0.085 0.000 0.834 50 V CB 1.167 32.828 31.823 -0.269 0.000 1.009 50 V HN 0.104 nan 8.190 nan 0.000 0.428 51 P HA 0.199 nan 4.420 nan 0.000 0.272 51 P C 0.673 177.904 177.300 -0.116 0.000 1.223 51 P CA -0.197 62.861 63.100 -0.070 0.000 0.784 51 P CB 0.697 32.374 31.700 -0.039 0.000 0.923 52 D N -0.185 120.139 120.400 -0.127 0.000 2.585 52 D HA -0.206 4.433 4.640 -0.001 0.000 0.190 52 D C 0.412 176.628 176.300 -0.141 0.000 1.057 52 D CA 1.894 55.794 54.000 -0.166 0.000 0.900 52 D CB -0.113 40.557 40.800 -0.216 0.000 0.900 52 D HN 0.108 nan 8.370 nan 0.000 0.463 53 L N -0.359 120.813 121.223 -0.084 0.000 2.596 53 L HA 0.306 4.645 4.340 -0.001 0.000 0.265 53 L C -0.808 176.118 176.870 0.094 0.000 0.962 53 L CA -0.897 53.944 54.840 0.001 0.000 0.891 53 L CB 1.578 43.614 42.059 -0.037 0.000 1.248 53 L HN -0.116 nan 8.230 nan 0.000 0.410 54 V N 1.464 121.469 119.914 0.153 0.000 3.096 54 V HA 0.709 4.828 4.120 -0.001 0.000 0.319 54 V C -1.027 175.315 176.094 0.413 0.000 1.103 54 V CA -0.762 61.662 62.300 0.207 0.000 1.016 54 V CB 2.169 34.007 31.823 0.024 0.000 1.090 54 V HN 0.886 nan 8.190 nan 0.000 0.449 55 W N 2.018 123.329 121.300 0.018 0.000 2.417 55 W HA 0.559 5.218 4.660 -0.001 0.000 0.315 55 W C -0.721 175.646 176.519 -0.253 0.000 1.045 55 W CA -0.359 56.788 57.345 -0.330 0.000 1.221 55 W CB 1.679 30.622 29.460 -0.863 0.000 1.309 55 W HN 0.818 nan 8.180 nan 0.000 0.453 56 T N 5.885 120.004 114.554 -0.725 0.000 2.771 56 T HA 0.295 4.644 4.350 -0.001 0.000 0.291 56 T C 1.155 175.295 174.700 -0.933 0.000 0.954 56 T CA -0.185 61.509 62.100 -0.677 0.000 1.045 56 T CB 0.691 69.297 68.868 -0.436 0.000 0.917 56 T HN 0.604 nan 8.240 nan 0.000 0.484 57 R N 2.482 122.748 120.500 -0.389 0.000 2.313 57 R HA 0.177 4.517 4.340 -0.001 0.000 0.199 57 R C 0.697 176.899 176.300 -0.162 0.000 0.958 57 R CA -0.248 55.740 56.100 -0.187 0.000 1.047 57 R CB -0.206 30.104 30.300 0.017 0.000 0.955 57 R HN 0.504 nan 8.270 nan 0.000 0.481 58 C N 1.465 120.648 119.300 -0.195 0.000 2.657 58 C HA 0.074 4.533 4.460 -0.001 0.000 0.404 58 C C 0.923 175.894 174.990 -0.030 0.000 1.291 58 C CA -0.020 58.939 59.018 -0.099 0.000 2.218 58 C CB -0.279 27.403 27.740 -0.096 0.000 2.687 58 C HN 0.731 nan 8.230 nan 0.000 0.634 59 N N 0.772 119.492 118.700 0.032 0.000 2.725 59 N HA -0.189 4.550 4.740 -0.001 0.000 0.249 59 N C 0.680 176.233 175.510 0.073 0.000 1.103 59 N CA 0.950 54.057 53.050 0.094 0.000 0.707 59 N CB -1.069 37.521 38.487 0.172 0.000 1.043 59 N HN 1.289 nan 8.380 nan 0.000 0.553 60 G N -1.908 106.906 108.800 0.023 0.000 2.308 60 G HA2 0.139 4.098 3.960 -0.001 0.000 0.221 60 G HA3 0.139 4.098 3.960 -0.001 0.000 0.221 60 G C 0.457 175.350 174.900 -0.012 0.000 1.032 60 G CA 0.208 45.324 45.100 0.027 0.000 0.623 60 G HN 1.504 nan 8.290 nan 0.000 0.506 61 G N -0.594 108.098 108.800 -0.180 0.000 3.101 61 G HA2 0.662 4.621 3.960 -0.001 0.000 0.672 61 G HA3 0.662 4.621 3.960 -0.001 0.000 0.672 61 G C -0.739 173.550 174.900 -1.019 0.000 1.331 61 G CA 0.533 45.221 45.100 -0.687 0.000 0.925 61 G HN 2.709 nan 8.290 nan 0.000 0.596 62 H N -1.589 116.466 119.070 -1.692 0.000 2.917 62 H HA 0.683 5.238 4.556 -0.001 0.000 0.299 62 H C -0.875 173.893 175.328 -0.933 0.000 1.418 62 H CA -1.634 53.685 56.048 -1.215 0.000 1.138 62 H CB 0.132 29.611 29.762 -0.473 0.000 1.830 62 H HN 0.652 nan 8.280 nan 0.000 0.514 63 W N 0.295 121.596 121.300 0.001 0.000 2.215 63 W HA 0.555 5.215 4.660 -0.001 0.000 0.342 63 W C -0.661 175.909 176.519 0.085 0.000 1.237 63 W CA -0.454 56.958 57.345 0.111 0.000 1.283 63 W CB 0.732 30.345 29.460 0.254 0.000 1.131 63 W HN 0.408 nan 8.180 nan 0.000 0.606 64 I N 2.437 123.173 120.570 0.277 0.000 2.468 64 I HA 0.363 4.532 4.170 -0.001 0.000 0.285 64 I C -0.026 176.122 176.117 0.052 0.000 1.039 64 I CA -1.021 60.342 61.300 0.106 0.000 1.074 64 I CB 1.251 39.219 38.000 -0.054 0.000 1.228 64 I HN 0.430 nan 8.210 nan 0.000 0.436 65 A N 3.321 126.145 122.820 0.007 0.000 2.362 65 A HA 0.540 4.859 4.320 -0.001 0.000 0.276 65 A C 1.046 178.569 177.584 -0.101 0.000 1.153 65 A CA 0.243 52.248 52.037 -0.054 0.000 0.813 65 A CB 0.136 19.090 19.000 -0.077 0.000 1.081 65 A HN 0.866 nan 8.150 nan 0.000 0.507 66 T N -0.284 114.189 114.554 -0.135 0.000 3.023 66 T HA 0.264 4.614 4.350 -0.001 0.000 0.253 66 T C 0.560 175.175 174.700 -0.141 0.000 1.038 66 T CA -0.039 61.962 62.100 -0.165 0.000 0.962 66 T CB 0.084 68.817 68.868 -0.225 0.000 1.018 66 T HN 0.496 nan 8.240 nan 0.000 0.521 67 R N 0.131 120.548 120.500 -0.137 0.000 2.686 67 R HA 0.628 4.967 4.340 -0.001 0.000 0.283 67 R C 1.401 177.630 176.300 -0.119 0.000 0.978 67 R CA -0.486 55.534 56.100 -0.134 0.000 0.897 67 R CB 1.098 31.298 30.300 -0.166 0.000 1.192 67 R HN 0.192 nan 8.270 nan 0.000 0.457 68 G N 1.158 109.897 108.800 -0.102 0.000 2.440 68 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.218 68 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.218 68 G C 0.970 175.810 174.900 -0.101 0.000 1.154 68 G CA 1.024 46.069 45.100 -0.092 0.000 0.767 68 G HN 0.666 nan 8.290 nan 0.000 0.552 69 Q N -0.491 119.245 119.800 -0.107 0.000 2.167 69 Q HA -0.017 4.322 4.340 -0.001 0.000 0.202 69 Q C 2.282 178.244 176.000 -0.064 0.000 0.970 69 Q CA 0.984 56.734 55.803 -0.088 0.000 0.855 69 Q CB -0.166 28.521 28.738 -0.086 0.000 0.911 69 Q HN 0.398 nan 8.270 nan 0.000 0.438 70 L N 0.414 121.567 121.223 -0.118 0.000 2.102 70 L HA 0.005 4.344 4.340 -0.001 0.000 0.202 70 L C 2.243 179.121 176.870 0.013 0.000 1.076 70 L CA 0.971 55.772 54.840 -0.065 0.000 0.761 70 L CB -0.438 41.501 42.059 -0.200 0.000 0.921 70 L HN 0.245 nan 8.230 nan 0.000 0.444 71 I N -0.537 119.990 120.570 -0.072 0.000 2.074 71 I HA -0.442 3.727 4.170 -0.001 0.000 0.238 71 I C 2.739 178.832 176.117 -0.040 0.000 1.037 71 I CA 1.546 62.790 61.300 -0.094 0.000 1.301 71 I CB -0.315 37.672 38.000 -0.022 0.000 1.016 71 I HN 0.261 nan 8.210 nan 0.000 0.400 72 R N 0.313 120.793 120.500 -0.032 0.000 2.094 72 R HA -0.239 4.100 4.340 -0.001 0.000 0.239 72 R C 2.231 178.606 176.300 0.126 0.000 1.137 72 R CA 1.998 58.027 56.100 -0.119 0.000 0.943 72 R CB -0.498 29.574 30.300 -0.379 0.000 0.850 72 R HN 0.476 nan 8.270 nan 0.000 0.433 73 E N 0.276 120.560 120.200 0.139 0.000 2.023 73 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 73 E C 2.082 178.780 176.600 0.163 0.000 1.003 73 E CA 1.556 58.105 56.400 0.249 0.000 0.809 73 E CB -0.209 29.743 29.700 0.419 0.000 0.755 73 E HN 0.385 nan 8.360 nan 0.000 0.449 74 A N 0.489 123.240 122.820 -0.114 0.000 1.873 74 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 74 A C 2.011 179.497 177.584 -0.162 0.000 1.193 74 A CA 1.816 53.467 52.037 -0.643 0.000 0.629 74 A CB -1.151 16.944 19.000 -1.509 0.000 0.826 74 A HN 0.337 nan 8.150 nan 0.000 0.447 75 Y N 0.467 120.754 120.300 -0.022 0.000 2.193 75 Y HA -0.215 4.334 4.550 -0.001 0.000 0.285 75 Y C 2.440 178.463 175.900 0.204 0.000 1.166 75 Y CA 1.658 59.831 58.100 0.123 0.000 1.181 75 Y CB -0.535 38.032 38.460 0.178 0.000 0.976 75 Y HN 0.515 nan 8.280 nan 0.000 0.520 76 E N -1.115 119.305 120.200 0.367 0.000 2.216 76 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 76 E C 0.461 177.189 176.600 0.214 0.000 0.988 76 E CA 0.824 57.393 56.400 0.283 0.000 0.834 76 E CB 0.039 29.887 29.700 0.247 0.000 0.772 76 E HN 0.172 nan 8.360 nan 0.000 0.479 77 D N 0.283 120.799 120.400 0.193 0.000 2.639 77 D HA -0.020 4.620 4.640 -0.001 0.000 0.233 77 D C 0.676 177.039 176.300 0.105 0.000 1.161 77 D CA -0.541 53.506 54.000 0.079 0.000 1.003 77 D CB -0.177 40.749 40.800 0.210 0.000 1.034 77 D HN 0.167 nan 8.370 nan 0.000 0.514 78 Y N 1.232 121.634 120.300 0.171 0.000 2.332 78 Y HA -0.239 4.310 4.550 -0.001 0.000 0.283 78 Y C 1.531 177.440 175.900 0.014 0.000 1.186 78 Y CA 1.140 59.317 58.100 0.128 0.000 1.266 78 Y CB -0.433 38.112 38.460 0.141 0.000 0.973 78 Y HN 0.059 nan 8.280 nan 0.000 0.548 79 R N -0.948 119.364 120.500 -0.314 0.000 2.173 79 R HA 0.063 4.402 4.340 -0.001 0.000 0.208 79 R C 1.470 177.511 176.300 -0.432 0.000 1.035 79 R CA 1.203 57.119 56.100 -0.307 0.000 1.004 79 R CB -0.272 29.776 30.300 -0.420 0.000 0.917 79 R HN 0.523 nan 8.270 nan 0.000 0.462 80 H N -2.139 116.691 119.070 -0.400 0.000 2.520 80 H HA 0.214 4.769 4.556 -0.001 0.000 0.279 80 H C -0.488 174.378 175.328 -0.770 0.000 0.990 80 H CA 0.679 56.324 56.048 -0.672 0.000 1.288 80 H CB 0.458 29.491 29.762 -1.215 0.000 1.446 80 H HN -0.060 nan 8.280 nan 0.000 0.538 81 F N 0.462 120.388 119.950 -0.040 0.000 2.676 81 F HA 0.332 4.859 4.527 -0.001 0.000 0.371 81 F C -0.035 175.780 175.800 0.024 0.000 1.141 81 F CA -0.759 57.223 58.000 -0.031 0.000 1.133 81 F CB 1.432 40.366 39.000 -0.110 0.000 1.376 81 F HN -0.165 nan 8.300 nan 0.000 0.491 82 S N 0.740 116.520 115.700 0.134 0.000 2.578 82 S HA 0.349 4.819 4.470 -0.001 0.000 0.283 82 S C 1.002 175.678 174.600 0.127 0.000 1.195 82 S CA -0.451 57.835 58.200 0.144 0.000 1.050 82 S CB 1.223 64.474 63.200 0.086 0.000 1.012 82 S HN 0.482 nan 8.310 nan 0.000 0.511 83 S N 2.787 118.556 115.700 0.115 0.000 2.607 83 S HA 0.011 4.480 4.470 -0.001 0.000 0.224 83 S C 1.596 176.242 174.600 0.077 0.000 0.969 83 S CA 0.011 58.237 58.200 0.044 0.000 0.927 83 S CB -0.239 62.912 63.200 -0.083 0.000 0.772 83 S HN 0.836 nan 8.310 nan 0.000 0.533 84 E N 0.460 120.718 120.200 0.096 0.000 2.108 84 E HA -0.248 4.101 4.350 -0.001 0.000 0.203 84 E C 0.343 176.986 176.600 0.073 0.000 1.022 84 E CA 0.995 57.451 56.400 0.093 0.000 0.823 84 E CB -0.000 29.746 29.700 0.077 0.000 0.744 84 E HN 0.435 nan 8.360 nan 0.000 0.456 85 C N 1.433 120.757 119.300 0.039 0.000 3.169 85 C HA 0.379 4.838 4.460 -0.001 0.000 0.232 85 C C -2.041 172.942 174.990 -0.011 0.000 1.316 85 C CA -1.365 57.651 59.018 -0.003 0.000 1.545 85 C CB 0.606 28.355 27.740 0.015 0.000 1.785 85 C HN 0.305 nan 8.230 nan 0.000 0.454 86 P HA 0.176 nan 4.420 nan 0.000 0.261 86 P C -0.036 177.292 177.300 0.047 0.000 1.268 86 P CA 0.209 63.300 63.100 -0.015 0.000 0.833 86 P CB 0.056 31.733 31.700 -0.038 0.000 1.231 87 F N 0.913 120.614 119.950 -0.414 0.000 2.379 87 F HA 0.349 4.875 4.527 -0.001 0.000 0.332 87 F C 1.207 176.860 175.800 -0.245 0.000 1.096 87 F CA -1.733 56.069 58.000 -0.329 0.000 1.105 87 F CB 0.349 39.093 39.000 -0.427 0.000 1.189 87 F HN -0.250 nan 8.300 nan 0.000 0.515 88 I N 3.425 123.943 120.570 -0.087 0.000 2.562 88 I HA 0.342 4.511 4.170 -0.001 0.000 0.301 88 I C -2.059 174.152 176.117 0.157 0.000 1.003 88 I CA -2.601 58.640 61.300 -0.097 0.000 1.127 88 I CB 1.061 38.824 38.000 -0.395 0.000 1.304 88 I HN 0.256 nan 8.210 nan 0.000 0.446 89 P HA -0.125 nan 4.420 nan 0.000 0.277 89 P C 0.811 178.119 177.300 0.014 0.000 1.237 89 P CA 0.202 63.349 63.100 0.078 0.000 0.819 89 P CB 0.896 32.633 31.700 0.062 0.000 0.841 90 R N 0.681 121.181 120.500 -0.000 0.000 2.062 90 R HA -0.162 4.177 4.340 -0.001 0.000 0.229 90 R C 1.898 178.175 176.300 -0.039 0.000 1.128 90 R CA 1.467 57.559 56.100 -0.015 0.000 0.960 90 R CB -0.425 29.884 30.300 0.015 0.000 0.855 90 R HN 0.323 nan 8.270 nan 0.000 0.432 91 E N 0.811 120.994 120.200 -0.028 0.000 2.196 91 E HA -0.320 4.030 4.350 -0.001 0.000 0.222 91 E C 1.739 178.267 176.600 -0.121 0.000 1.072 91 E CA 2.195 58.571 56.400 -0.041 0.000 0.902 91 E CB -0.761 28.933 29.700 -0.010 0.000 0.780 91 E HN 0.533 nan 8.360 nan 0.000 0.467 92 A N 0.401 123.107 122.820 -0.190 0.000 1.855 92 A HA 0.007 4.326 4.320 -0.001 0.000 0.215 92 A C 2.551 179.679 177.584 -0.761 0.000 1.191 92 A CA 1.997 53.704 52.037 -0.550 0.000 0.613 92 A CB -1.273 17.545 19.000 -0.304 0.000 0.829 92 A HN 0.357 nan 8.150 nan 0.000 0.442 93 G N -0.319 108.249 108.800 -0.386 0.000 2.476 93 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 93 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 93 G C 1.465 176.240 174.900 -0.208 0.000 1.164 93 G CA 1.166 46.109 45.100 -0.261 0.000 0.768 93 G HN 0.674 nan 8.290 nan 0.000 0.560 94 E N 0.491 120.608 120.200 -0.139 0.000 2.051 94 E HA 0.120 4.469 4.350 -0.001 0.000 0.189 94 E C 2.952 179.519 176.600 -0.055 0.000 0.979 94 E CA 0.513 56.878 56.400 -0.059 0.000 0.803 94 E CB -0.222 29.462 29.700 -0.027 0.000 0.761 94 E HN 0.360 nan 8.360 nan 0.000 0.451 95 A N 1.321 124.092 122.820 -0.082 0.000 2.032 95 A HA -0.194 4.125 4.320 -0.001 0.000 0.221 95 A C 0.971 178.532 177.584 -0.039 0.000 1.165 95 A CA 0.812 52.824 52.037 -0.042 0.000 0.645 95 A CB -0.791 18.219 19.000 0.016 0.000 0.807 95 A HN 0.375 nan 8.150 nan 0.000 0.453 96 Y N 1.349 121.420 120.300 -0.382 0.000 2.526 96 Y HA 0.241 4.791 4.550 -0.001 0.000 0.330 96 Y C 0.616 176.351 175.900 -0.275 0.000 1.156 96 Y CA 0.396 58.214 58.100 -0.470 0.000 1.419 96 Y CB 0.654 38.669 38.460 -0.741 0.000 1.250 96 Y HN 0.466 nan 8.280 nan 0.000 0.540 97 D N 3.849 123.819 120.400 -0.718 0.000 2.530 97 D HA -0.037 4.602 4.640 -0.001 0.000 0.290 97 D C -0.496 175.753 176.300 -0.084 0.000 1.398 97 D CA -0.282 53.609 54.000 -0.180 0.000 0.848 97 D CB -0.792 40.019 40.800 0.017 0.000 1.279 97 D HN 0.247 nan 8.370 nan 0.000 0.483 98 F N 1.431 121.072 119.950 -0.515 0.000 2.422 98 F HA -0.041 4.486 4.527 -0.001 0.000 0.364 98 F C 1.013 176.728 175.800 -0.142 0.000 0.954 98 F CA -0.492 57.298 58.000 -0.349 0.000 1.192 98 F CB -0.201 38.547 39.000 -0.419 0.000 0.895 98 F HN -0.072 nan 8.300 nan 0.000 0.589 99 I N 4.566 125.173 120.570 0.061 0.000 2.693 99 I HA 0.347 4.517 4.170 -0.001 0.000 0.303 99 I C -1.676 174.464 176.117 0.038 0.000 1.025 99 I CA -3.207 58.077 61.300 -0.026 0.000 1.086 99 I CB 1.512 39.356 38.000 -0.259 0.000 1.268 99 I HN 0.162 nan 8.210 nan 0.000 0.440 100 P HA 0.045 nan 4.420 nan 0.000 0.249 100 P C 0.765 178.265 177.300 0.333 0.000 1.241 100 P CA 0.676 63.860 63.100 0.139 0.000 0.781 100 P CB -0.011 31.757 31.700 0.113 0.000 1.088 101 T N -2.867 111.915 114.554 0.380 0.000 3.023 101 T HA -0.058 4.291 4.350 -0.001 0.000 0.266 101 T C 1.533 176.442 174.700 0.348 0.000 1.093 101 T CA 1.072 63.447 62.100 0.459 0.000 1.129 101 T CB -0.491 68.686 68.868 0.514 0.000 0.899 101 T HN 0.191 nan 8.240 nan 0.000 0.491 102 S N 0.120 116.045 115.700 0.375 0.000 2.597 102 S HA 0.468 4.937 4.470 -0.001 0.000 0.224 102 S C 0.236 174.969 174.600 0.222 0.000 0.955 102 S CA -0.572 57.810 58.200 0.303 0.000 0.933 102 S CB -0.426 62.964 63.200 0.316 0.000 0.788 102 S HN 0.337 nan 8.310 nan 0.000 0.488 103 M N 1.580 121.352 119.600 0.286 0.000 2.591 103 M HA 0.497 4.976 4.480 -0.001 0.000 0.306 103 M C -1.363 175.103 176.300 0.276 0.000 1.190 103 M CA -0.619 54.822 55.300 0.235 0.000 0.889 103 M CB 1.838 34.549 32.600 0.185 0.000 1.728 103 M HN -0.056 nan 8.290 nan 0.000 0.458 104 D N 1.828 122.328 120.400 0.167 0.000 2.181 104 D HA 0.444 5.083 4.640 -0.001 0.000 0.248 104 D C -2.454 173.800 176.300 -0.077 0.000 1.020 104 D CA -1.276 52.788 54.000 0.105 0.000 0.891 104 D CB 1.339 42.227 40.800 0.147 0.000 1.187 104 D HN 0.125 nan 8.370 nan 0.000 0.443 105 P HA 0.029 nan 4.420 nan 0.000 0.266 105 P C -1.565 175.572 177.300 -0.271 0.000 1.195 105 P CA -0.722 62.129 63.100 -0.416 0.000 0.768 105 P CB 0.230 31.429 31.700 -0.835 0.000 0.838 106 P HA -0.195 nan 4.420 nan 0.000 0.218 106 P C 1.309 178.582 177.300 -0.046 0.000 1.148 106 P CA 1.348 64.400 63.100 -0.080 0.000 0.822 106 P CB -0.023 31.654 31.700 -0.038 0.000 0.784 107 E N 0.341 120.539 120.200 -0.004 0.000 2.209 107 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 107 E C 2.137 178.802 176.600 0.108 0.000 0.993 107 E CA 0.800 57.238 56.400 0.063 0.000 0.819 107 E CB -0.154 29.610 29.700 0.105 0.000 0.745 107 E HN 0.290 nan 8.360 nan 0.000 0.477 108 Q N 0.615 120.438 119.800 0.039 0.000 2.297 108 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 108 Q C 2.185 178.206 176.000 0.035 0.000 0.962 108 Q CA 0.804 56.635 55.803 0.047 0.000 0.879 108 Q CB 0.022 28.688 28.738 -0.121 0.000 0.947 108 Q HN 0.175 nan 8.270 nan 0.000 0.462 109 R N -0.002 120.483 120.500 -0.024 0.000 2.056 109 R HA -0.125 4.214 4.340 -0.001 0.000 0.227 109 R C 2.275 178.550 176.300 -0.041 0.000 1.149 109 R CA 1.685 57.756 56.100 -0.049 0.000 0.937 109 R CB -0.131 30.125 30.300 -0.075 0.000 0.835 109 R HN 0.263 nan 8.270 nan 0.000 0.430 110 Q N -0.250 119.483 119.800 -0.113 0.000 2.197 110 Q HA -0.195 4.144 4.340 -0.001 0.000 0.207 110 Q C 1.942 177.892 176.000 -0.083 0.000 0.984 110 Q CA 1.631 57.333 55.803 -0.169 0.000 0.869 110 Q CB -0.195 28.362 28.738 -0.300 0.000 0.906 110 Q HN 0.448 nan 8.270 nan 0.000 0.426 111 F N 0.407 120.344 119.950 -0.023 0.000 2.743 111 F HA 0.098 4.624 4.527 -0.002 0.000 0.297 111 F C 2.478 178.269 175.800 -0.015 0.000 1.131 111 F CA 0.149 58.142 58.000 -0.013 0.000 1.426 111 F CB -0.032 38.968 39.000 0.000 0.000 1.116 111 F HN 0.012 nan 8.300 nan 0.000 0.583 112 R N 1.208 121.804 120.500 0.160 0.000 2.119 112 R HA -0.011 4.328 4.340 -0.001 0.000 0.222 112 R C 2.270 178.604 176.300 0.057 0.000 1.088 112 R CA 1.111 57.265 56.100 0.090 0.000 0.984 112 R CB -0.442 29.864 30.300 0.009 0.000 0.884 112 R HN 0.184 nan 8.270 nan 0.000 0.447 113 A N 2.335 125.172 122.820 0.029 0.000 1.869 113 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 113 A C 2.104 179.700 177.584 0.020 0.000 1.203 113 A CA 1.703 53.744 52.037 0.007 0.000 0.638 113 A CB -0.984 18.007 19.000 -0.015 0.000 0.831 113 A HN 0.397 nan 8.150 nan 0.000 0.450 114 L N -0.261 120.979 121.223 0.028 0.000 2.054 114 L HA -0.300 4.039 4.340 -0.001 0.000 0.220 114 L C 2.699 179.597 176.870 0.048 0.000 1.081 114 L CA 2.718 57.582 54.840 0.039 0.000 0.780 114 L CB -1.089 41.011 42.059 0.069 0.000 0.893 114 L HN 0.451 nan 8.230 nan 0.000 0.438 115 A N -0.979 121.880 122.820 0.065 0.000 1.902 115 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 115 A C 2.179 179.790 177.584 0.044 0.000 1.181 115 A CA 1.934 54.004 52.037 0.055 0.000 0.623 115 A CB -1.028 18.008 19.000 0.061 0.000 0.818 115 A HN 0.666 nan 8.150 nan 0.000 0.443 116 N N -0.016 118.708 118.700 0.039 0.000 2.094 116 N HA -0.248 4.491 4.740 -0.001 0.000 0.191 116 N C 1.837 177.364 175.510 0.028 0.000 1.023 116 N CA 2.082 55.152 53.050 0.033 0.000 0.857 116 N CB -0.341 38.161 38.487 0.025 0.000 1.013 116 N HN 0.677 nan 8.380 nan 0.000 0.426 117 Q N -0.580 119.232 119.800 0.020 0.000 2.297 117 Q HA -0.101 4.238 4.340 -0.001 0.000 0.208 117 Q C 1.903 177.912 176.000 0.016 0.000 0.981 117 Q CA 1.535 57.345 55.803 0.012 0.000 0.876 117 Q CB -0.053 28.688 28.738 0.005 0.000 0.921 117 Q HN 0.535 nan 8.270 nan 0.000 0.446 118 V N -2.908 117.022 119.914 0.026 0.000 3.471 118 V HA 0.079 4.198 4.120 -0.001 0.000 0.258 118 V C 1.628 177.748 176.094 0.044 0.000 1.192 118 V CA 0.553 62.871 62.300 0.029 0.000 1.116 118 V CB 0.352 32.194 31.823 0.033 0.000 0.792 118 V HN 0.287 nan 8.190 nan 0.000 0.459 119 V N -2.412 117.532 119.914 0.051 0.000 3.502 119 V HA 0.658 4.777 4.120 -0.001 0.000 0.288 119 V C 1.361 177.494 176.094 0.065 0.000 1.461 119 V CA 0.356 62.694 62.300 0.063 0.000 1.029 119 V CB -0.634 31.234 31.823 0.075 0.000 0.843 119 V HN 0.455 nan 8.190 nan 0.000 0.438 120 G N 1.014 109.849 108.800 0.060 0.000 2.593 120 G HA2 0.161 4.120 3.960 -0.001 0.000 0.279 120 G HA3 0.161 4.120 3.960 -0.001 0.000 0.279 120 G C 0.665 175.587 174.900 0.036 0.000 1.329 120 G CA 0.456 45.601 45.100 0.075 0.000 1.036 120 G HN 0.359 nan 8.290 nan 0.000 0.555 121 M N 0.072 119.645 119.600 -0.046 0.000 2.200 121 M HA 0.031 4.510 4.480 -0.001 0.000 0.265 121 M C -0.404 175.859 176.300 -0.063 0.000 1.066 121 M CA 1.232 56.462 55.300 -0.118 0.000 1.127 121 M CB -0.966 31.462 32.600 -0.287 0.000 1.379 121 M HN 0.256 nan 8.290 nan 0.000 0.420 122 P HA -0.107 nan 4.420 nan 0.000 0.215 122 P C 1.784 179.073 177.300 -0.017 0.000 1.157 122 P CA 1.199 64.279 63.100 -0.034 0.000 0.868 122 P CB -0.154 31.529 31.700 -0.028 0.000 0.788 123 V N -0.213 119.696 119.914 -0.009 0.000 2.277 123 V HA -0.276 3.843 4.120 -0.001 0.000 0.255 123 V C 2.425 178.522 176.094 0.006 0.000 1.074 123 V CA 2.249 64.550 62.300 0.001 0.000 1.058 123 V CB -1.373 30.457 31.823 0.012 0.000 0.656 123 V HN -0.017 nan 8.190 nan 0.000 0.449 124 V N 0.023 119.943 119.914 0.009 0.000 2.548 124 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 124 V C 2.167 178.271 176.094 0.016 0.000 1.055 124 V CA 1.907 64.218 62.300 0.019 0.000 1.065 124 V CB -0.746 31.098 31.823 0.035 0.000 0.681 124 V HN 0.582 nan 8.190 nan 0.000 0.462 125 D N 0.414 120.815 120.400 0.002 0.000 2.117 125 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 125 D C 2.140 178.444 176.300 0.006 0.000 0.987 125 D CA 1.139 55.141 54.000 0.003 0.000 0.829 125 D CB -0.203 40.592 40.800 -0.009 0.000 0.961 125 D HN 0.384 nan 8.370 nan 0.000 0.460 126 K N 0.405 120.806 120.400 0.002 0.000 2.009 126 K HA -0.033 4.286 4.320 -0.001 0.000 0.210 126 K C 2.195 178.800 176.600 0.008 0.000 1.049 126 K CA 0.584 56.873 56.287 0.002 0.000 0.929 126 K CB -0.227 32.271 32.500 -0.003 0.000 0.714 126 K HN 0.092 nan 8.250 nan 0.000 0.440 127 L N 1.133 122.362 121.223 0.009 0.000 2.349 127 L HA -0.208 4.132 4.340 -0.001 0.000 0.220 127 L C 2.276 179.166 176.870 0.033 0.000 1.130 127 L CA 1.004 55.852 54.840 0.014 0.000 0.791 127 L CB -0.433 41.630 42.059 0.007 0.000 0.918 127 L HN 0.384 nan 8.230 nan 0.000 0.444 128 E N 0.792 121.016 120.200 0.039 0.000 2.065 128 E HA -0.294 4.055 4.350 -0.001 0.000 0.201 128 E C 1.730 178.372 176.600 0.070 0.000 1.016 128 E CA 2.228 58.663 56.400 0.058 0.000 0.818 128 E CB -0.005 29.724 29.700 0.048 0.000 0.749 128 E HN 0.631 nan 8.360 nan 0.000 0.453 129 N N -0.496 118.235 118.700 0.052 0.000 2.188 129 N HA -0.095 4.644 4.740 -0.001 0.000 0.184 129 N C 1.753 177.303 175.510 0.067 0.000 1.018 129 N CA 0.573 53.655 53.050 0.054 0.000 0.858 129 N CB 0.080 38.589 38.487 0.036 0.000 0.989 129 N HN -0.008 nan 8.380 nan 0.000 0.426 130 R N 0.745 121.279 120.500 0.058 0.000 2.148 130 R HA 0.095 4.434 4.340 -0.001 0.000 0.223 130 R C 1.885 178.245 176.300 0.099 0.000 1.088 130 R CA 0.550 56.684 56.100 0.057 0.000 0.985 130 R CB -0.504 29.814 30.300 0.029 0.000 0.880 130 R HN 0.404 nan 8.270 nan 0.000 0.451 131 I N 0.441 121.080 120.570 0.116 0.000 2.406 131 I HA -0.205 3.964 4.170 -0.001 0.000 0.249 131 I C 2.410 178.709 176.117 0.304 0.000 1.122 131 I CA 0.846 62.271 61.300 0.208 0.000 1.431 131 I CB -0.166 37.946 38.000 0.187 0.000 1.087 131 I HN 0.046 nan 8.210 nan 0.000 0.424 132 Q N 1.529 121.438 119.800 0.181 0.000 2.167 132 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 132 Q C 1.991 178.060 176.000 0.115 0.000 0.970 132 Q CA 1.883 57.768 55.803 0.137 0.000 0.855 132 Q CB -0.128 28.664 28.738 0.091 0.000 0.911 132 Q HN 0.615 nan 8.270 nan 0.000 0.438 133 E N -1.106 119.162 120.200 0.113 0.000 2.190 133 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 133 E C 1.722 178.382 176.600 0.100 0.000 0.978 133 E CA 0.428 56.879 56.400 0.085 0.000 0.839 133 E CB -0.155 29.583 29.700 0.063 0.000 0.787 133 E HN 0.378 nan 8.360 nan 0.000 0.473 134 L N 1.388 122.702 121.223 0.151 0.000 2.093 134 L HA 0.051 4.390 4.340 -0.001 0.000 0.208 134 L C 2.377 179.352 176.870 0.175 0.000 1.085 134 L CA 1.932 56.877 54.840 0.176 0.000 0.755 134 L CB -0.601 41.593 42.059 0.223 0.000 0.904 134 L HN 0.240 nan 8.230 nan 0.000 0.435 135 A N -1.602 121.295 122.820 0.128 0.000 1.930 135 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 135 A C 2.343 179.978 177.584 0.085 0.000 1.175 135 A CA 1.721 53.726 52.037 -0.053 0.000 0.627 135 A CB -1.248 17.505 19.000 -0.411 0.000 0.815 135 A HN 0.594 nan 8.150 nan 0.000 0.443 136 C N -1.504 117.826 119.300 0.051 0.000 2.518 136 C HA 0.019 4.478 4.460 -0.001 0.000 0.279 136 C C 3.081 178.094 174.990 0.037 0.000 1.279 136 C CA 0.760 59.794 59.018 0.027 0.000 1.703 136 C CB -1.108 26.644 27.740 0.020 0.000 2.072 136 C HN 0.689 nan 8.230 nan 0.000 0.487 137 S N 1.244 116.976 115.700 0.053 0.000 2.531 137 S HA -0.215 4.254 4.470 -0.001 0.000 0.235 137 S C 1.721 176.364 174.600 0.072 0.000 1.061 137 S CA 2.088 60.321 58.200 0.054 0.000 1.250 137 S CB -0.617 62.620 63.200 0.062 0.000 1.183 137 S HN 0.351 nan 8.310 nan 0.000 0.413 138 L N 1.382 122.668 121.223 0.104 0.000 2.151 138 L HA -0.182 4.157 4.340 -0.001 0.000 0.219 138 L C 2.314 179.273 176.870 0.148 0.000 1.083 138 L CA 1.621 56.546 54.840 0.141 0.000 0.782 138 L CB -1.305 40.862 42.059 0.181 0.000 0.891 138 L HN 0.459 nan 8.230 nan 0.000 0.439 139 I N -1.305 119.334 120.570 0.115 0.000 2.339 139 I HA -0.117 4.053 4.170 -0.001 0.000 0.245 139 I C 2.504 178.571 176.117 -0.083 0.000 1.096 139 I CA 0.826 62.117 61.300 -0.015 0.000 1.408 139 I CB -1.070 36.860 38.000 -0.116 0.000 1.092 139 I HN 0.252 nan 8.210 nan 0.000 0.423 140 E N 0.856 121.028 120.200 -0.047 0.000 2.130 140 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 140 E C 2.342 178.940 176.600 -0.002 0.000 0.998 140 E CA 1.485 57.862 56.400 -0.039 0.000 0.806 140 E CB -0.230 29.460 29.700 -0.017 0.000 0.738 140 E HN 0.244 nan 8.360 nan 0.000 0.459 141 S N -1.312 114.401 115.700 0.021 0.000 2.489 141 S HA 0.079 4.548 4.470 -0.001 0.000 0.228 141 S C 1.702 176.338 174.600 0.061 0.000 0.995 141 S CA 0.328 58.552 58.200 0.040 0.000 0.934 141 S CB 0.050 63.278 63.200 0.047 0.000 0.771 141 S HN 0.277 nan 8.310 nan 0.000 0.522 142 L N 0.427 121.696 121.223 0.076 0.000 2.470 142 L HA 0.295 4.634 4.340 -0.001 0.000 0.219 142 L C 2.466 179.477 176.870 0.235 0.000 1.071 142 L CA 0.294 55.228 54.840 0.157 0.000 0.850 142 L CB -0.300 41.879 42.059 0.200 0.000 1.040 142 L HN 0.246 nan 8.230 nan 0.000 0.475 143 R N 1.836 122.398 120.500 0.103 0.000 2.083 143 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 143 R C -0.708 175.748 176.300 0.260 0.000 1.137 143 R CA 1.802 57.988 56.100 0.144 0.000 0.951 143 R CB -1.302 28.978 30.300 -0.034 0.000 0.851 143 R HN 0.191 nan 8.270 nan 0.000 0.434 144 P HA -0.087 nan 4.420 nan 0.000 0.237 144 P C 0.131 177.446 177.300 0.025 0.000 1.178 144 P CA 1.032 64.179 63.100 0.077 0.000 0.766 144 P CB 0.195 31.915 31.700 0.034 0.000 0.876 145 Q N -0.613 119.198 119.800 0.017 0.000 2.269 145 Q HA 0.179 4.518 4.340 -0.001 0.000 0.201 145 Q C 1.642 177.380 176.000 -0.437 0.000 0.946 145 Q CA 0.902 56.630 55.803 -0.125 0.000 0.877 145 Q CB -0.287 28.414 28.738 -0.061 0.000 0.963 145 Q HN 0.246 nan 8.270 nan 0.000 0.472 146 G N 1.235 109.437 108.800 -0.998 0.000 2.175 146 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 146 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 146 G C -0.141 173.656 174.900 -1.838 0.000 0.982 146 G CA 0.270 44.327 45.100 -1.739 0.000 0.641 146 G HN 0.436 nan 8.290 nan 0.000 0.527 147 Q N -1.350 117.454 119.800 -1.660 0.000 2.574 147 Q HA 0.591 4.931 4.340 -0.001 0.000 0.265 147 Q C -0.324 175.676 176.000 0.001 0.000 0.975 147 Q CA -0.746 54.684 55.803 -0.622 0.000 0.923 147 Q CB 0.984 29.580 28.738 -0.237 0.000 1.518 147 Q HN 1.297 nan 8.270 nan 0.000 0.401 148 C N -0.728 118.781 119.300 0.349 0.000 3.236 148 C HA 0.749 5.208 4.460 -0.001 0.000 0.312 148 C C -0.928 174.224 174.990 0.270 0.000 1.374 148 C CA -0.898 58.311 59.018 0.318 0.000 1.455 148 C CB 1.283 29.298 27.740 0.459 0.000 1.834 148 C HN 1.106 nan 8.230 nan 0.000 0.460 149 N N -0.025 118.799 118.700 0.205 0.000 2.462 149 N HA 0.376 5.115 4.740 -0.001 0.000 0.242 149 N C 0.064 175.701 175.510 0.213 0.000 1.010 149 N CA -0.601 52.561 53.050 0.187 0.000 0.939 149 N CB 0.513 39.069 38.487 0.114 0.000 1.127 149 N HN 0.721 nan 8.380 nan 0.000 0.509 150 F N 3.197 123.204 119.950 0.095 0.000 2.270 150 F HA -0.032 4.494 4.527 -0.001 0.000 0.295 150 F C 2.373 178.216 175.800 0.072 0.000 1.087 150 F CA 1.259 59.313 58.000 0.090 0.000 1.365 150 F CB -0.225 38.759 39.000 -0.026 0.000 1.056 150 F HN 0.503 nan 8.300 nan 0.000 0.506 151 T N -0.919 113.787 114.554 0.255 0.000 2.708 151 T HA -0.272 4.077 4.350 -0.001 0.000 0.266 151 T C 1.782 176.485 174.700 0.006 0.000 1.037 151 T CA 1.556 63.738 62.100 0.136 0.000 1.146 151 T CB -0.889 68.037 68.868 0.096 0.000 0.865 151 T HN 0.673 nan 8.240 nan 0.000 0.435 152 E N 1.184 121.397 120.200 0.022 0.000 2.158 152 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 152 E C 1.262 177.845 176.600 -0.028 0.000 0.982 152 E CA 1.118 57.517 56.400 -0.001 0.000 0.823 152 E CB -0.269 29.447 29.700 0.027 0.000 0.766 152 E HN 0.359 nan 8.360 nan 0.000 0.468 153 D N -1.177 119.206 120.400 -0.028 0.000 2.347 153 D HA 0.022 4.661 4.640 -0.001 0.000 0.213 153 D C 0.397 176.673 176.300 -0.038 0.000 0.985 153 D CA 0.669 54.669 54.000 0.000 0.000 0.879 153 D CB 0.354 41.203 40.800 0.082 0.000 0.919 153 D HN 0.314 nan 8.370 nan 0.000 0.526 154 Y N -0.798 119.259 120.300 -0.406 0.000 3.194 154 Y HA 0.247 4.796 4.550 -0.001 0.000 0.205 154 Y C 1.776 177.350 175.900 -0.543 0.000 1.058 154 Y CA 0.519 58.293 58.100 -0.543 0.000 1.568 154 Y CB -0.296 37.649 38.460 -0.858 0.000 1.421 154 Y HN -0.159 nan 8.280 nan 0.000 0.394 155 A N 0.848 123.289 122.820 -0.632 0.000 1.948 155 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 155 A C 1.792 179.348 177.584 -0.048 0.000 1.177 155 A CA 2.419 54.417 52.037 -0.065 0.000 0.636 155 A CB -0.528 18.580 19.000 0.179 0.000 0.815 155 A HN 0.691 nan 8.150 nan 0.000 0.449 156 E N -1.081 119.059 120.200 -0.101 0.000 2.057 156 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 156 E C -0.678 175.869 176.600 -0.087 0.000 0.969 156 E CA 0.586 56.948 56.400 -0.063 0.000 0.812 156 E CB -0.395 29.284 29.700 -0.036 0.000 0.777 156 E HN 0.434 nan 8.360 nan 0.000 0.455 157 P HA -0.171 nan 4.420 nan 0.000 0.218 157 P C 1.149 178.365 177.300 -0.139 0.000 1.149 157 P CA 1.058 64.093 63.100 -0.108 0.000 0.817 157 P CB -0.043 31.603 31.700 -0.089 0.000 0.785 158 F N 2.044 121.735 119.950 -0.431 0.000 2.074 158 F HA 0.064 4.590 4.527 -0.002 0.000 0.293 158 F C -1.050 174.626 175.800 -0.207 0.000 1.116 158 F CA 1.127 58.846 58.000 -0.470 0.000 1.212 158 F CB -1.773 36.585 39.000 -1.070 0.000 0.998 158 F HN -0.051 nan 8.300 nan 0.000 0.471 159 P HA -0.046 nan 4.420 nan 0.000 0.217 159 P C 2.087 179.295 177.300 -0.152 0.000 1.154 159 P CA 1.775 64.649 63.100 -0.378 0.000 0.841 159 P CB -0.036 31.587 31.700 -0.128 0.000 0.788 160 I N -0.711 119.813 120.570 -0.077 0.000 2.226 160 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 160 I C 2.494 178.613 176.117 0.004 0.000 1.100 160 I CA 1.437 62.755 61.300 0.030 0.000 1.374 160 I CB -0.335 37.679 38.000 0.023 0.000 1.057 160 I HN -0.190 nan 8.210 nan 0.000 0.413 161 R N 0.124 120.583 120.500 -0.068 0.000 2.120 161 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 161 R C 2.091 178.328 176.300 -0.105 0.000 1.123 161 R CA 1.235 57.293 56.100 -0.071 0.000 0.975 161 R CB -0.219 30.046 30.300 -0.059 0.000 0.866 161 R HN 0.227 nan 8.270 nan 0.000 0.446 162 I N -0.455 120.019 120.570 -0.160 0.000 2.439 162 I HA -0.183 3.986 4.170 -0.001 0.000 0.251 162 I C 1.770 177.821 176.117 -0.109 0.000 1.139 162 I CA 0.873 62.078 61.300 -0.158 0.000 1.438 162 I CB -0.347 37.491 38.000 -0.270 0.000 1.085 162 I HN 0.046 nan 8.210 nan 0.000 0.427 163 F N 1.179 121.049 119.950 -0.134 0.000 2.051 163 F HA -0.285 4.242 4.527 -0.001 0.000 0.296 163 F C 2.483 178.248 175.800 -0.059 0.000 1.122 163 F CA 1.716 59.663 58.000 -0.088 0.000 1.201 163 F CB -0.407 38.545 39.000 -0.080 0.000 0.978 163 F HN -0.043 nan 8.300 nan 0.000 0.472 164 M N 0.116 119.383 119.600 -0.555 0.000 2.146 164 M HA -0.263 4.216 4.480 -0.001 0.000 0.251 164 M C 2.196 178.313 176.300 -0.304 0.000 1.083 164 M CA 1.597 56.665 55.300 -0.387 0.000 1.076 164 M CB -1.973 30.535 32.600 -0.153 0.000 1.332 164 M HN 0.400 nan 8.290 nan 0.000 0.400 165 L N -0.246 120.839 121.223 -0.230 0.000 2.109 165 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 165 L C 2.058 178.819 176.870 -0.182 0.000 1.086 165 L CA 1.413 56.161 54.840 -0.153 0.000 0.760 165 L CB -0.808 41.188 42.059 -0.106 0.000 0.910 165 L HN 0.346 nan 8.230 nan 0.000 0.437 166 L N -0.416 120.659 121.223 -0.248 0.000 2.270 166 L HA 0.225 4.564 4.340 -0.001 0.000 0.210 166 L C 2.204 178.928 176.870 -0.244 0.000 1.104 166 L CA 1.805 56.531 54.840 -0.191 0.000 0.804 166 L CB -1.306 40.676 42.059 -0.127 0.000 0.937 166 L HN 0.193 nan 8.230 nan 0.000 0.450 167 A N -0.241 122.307 122.820 -0.454 0.000 2.167 167 A HA 0.300 4.619 4.320 -0.001 0.000 0.214 167 A C 1.740 179.201 177.584 -0.206 0.000 1.151 167 A CA 0.566 52.370 52.037 -0.388 0.000 0.735 167 A CB -1.264 17.347 19.000 -0.648 0.000 0.802 167 A HN 0.787 nan 8.150 nan 0.000 0.467 168 G N -0.321 108.372 108.800 -0.178 0.000 2.422 168 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.301 168 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.301 168 G C 0.054 174.908 174.900 -0.077 0.000 0.981 168 G CA 0.776 45.812 45.100 -0.107 0.000 0.994 168 G HN 0.485 nan 8.290 nan 0.000 0.514 169 L N 0.883 122.053 121.223 -0.087 0.000 2.357 169 L HA 0.471 4.811 4.340 -0.001 0.000 0.273 169 L C -1.171 175.694 176.870 -0.010 0.000 1.080 169 L CA -2.160 52.672 54.840 -0.013 0.000 0.803 169 L CB 1.333 43.412 42.059 0.034 0.000 1.174 169 L HN 0.047 nan 8.230 nan 0.000 0.443 170 P HA 0.120 nan 4.420 nan 0.000 0.280 170 P C -0.353 176.959 177.300 0.020 0.000 1.244 170 P CA -0.356 62.752 63.100 0.013 0.000 0.784 170 P CB 1.207 32.919 31.700 0.020 0.000 0.913 171 E N 1.286 121.488 120.200 0.003 0.000 2.204 171 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 171 E C 1.358 177.970 176.600 0.018 0.000 0.990 171 E CA 1.111 57.514 56.400 0.006 0.000 0.821 171 E CB -0.119 29.578 29.700 -0.004 0.000 0.750 171 E HN 0.519 nan 8.360 nan 0.000 0.477 172 E N 0.845 121.058 120.200 0.021 0.000 2.273 172 E HA -0.201 4.148 4.350 -0.001 0.000 0.198 172 E C 1.188 177.814 176.600 0.042 0.000 1.002 172 E CA 1.087 57.502 56.400 0.025 0.000 0.828 172 E CB -0.069 29.643 29.700 0.020 0.000 0.747 172 E HN 0.256 nan 8.360 nan 0.000 0.491 173 D N -0.469 119.967 120.400 0.061 0.000 2.224 173 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 173 D C 1.808 178.139 176.300 0.050 0.000 0.965 173 D CA 0.291 54.338 54.000 0.079 0.000 0.852 173 D CB -0.125 40.772 40.800 0.162 0.000 0.947 173 D HN 0.223 nan 8.370 nan 0.000 0.494 174 I N 1.696 122.287 120.570 0.035 0.000 2.253 174 I HA -0.352 3.818 4.170 -0.001 0.000 0.234 174 I C -0.581 175.569 176.117 0.055 0.000 0.978 174 I CA 1.807 63.128 61.300 0.035 0.000 1.271 174 I CB -1.857 36.160 38.000 0.028 0.000 0.978 174 I HN 0.058 nan 8.210 nan 0.000 0.394 175 P HA -0.255 nan 4.420 nan 0.000 0.218 175 P C 1.542 178.917 177.300 0.125 0.000 1.154 175 P CA 2.088 65.235 63.100 0.078 0.000 0.872 175 P CB -0.186 31.552 31.700 0.063 0.000 0.790 176 H N -1.321 117.766 119.070 0.028 0.000 2.448 176 H HA 0.080 4.635 4.556 -0.001 0.000 0.292 176 H C 1.828 177.166 175.328 0.016 0.000 1.035 176 H CA 0.882 56.957 56.048 0.046 0.000 1.349 176 H CB -0.593 29.183 29.762 0.022 0.000 1.425 176 H HN -0.038 nan 8.280 nan 0.000 0.539 177 L N 0.004 121.223 121.223 -0.006 0.000 2.072 177 L HA -0.044 4.295 4.340 -0.001 0.000 0.205 177 L C 2.380 179.205 176.870 -0.076 0.000 1.079 177 L CA 1.213 55.982 54.840 -0.119 0.000 0.752 177 L CB -0.301 41.646 42.059 -0.187 0.000 0.906 177 L HN 0.103 nan 8.230 nan 0.000 0.436 178 K N -0.247 120.143 120.400 -0.017 0.000 2.211 178 K HA -0.211 4.109 4.320 -0.001 0.000 0.203 178 K C 2.083 178.674 176.600 -0.015 0.000 1.050 178 K CA 1.293 57.573 56.287 -0.011 0.000 0.945 178 K CB -0.433 32.081 32.500 0.024 0.000 0.732 178 K HN 0.294 nan 8.250 nan 0.000 0.451 179 Y N 0.319 120.557 120.300 -0.104 0.000 2.184 179 Y HA -0.036 4.513 4.550 -0.002 0.000 0.290 179 Y C 1.496 177.314 175.900 -0.136 0.000 1.129 179 Y CA 1.563 59.600 58.100 -0.105 0.000 1.144 179 Y CB 0.003 38.403 38.460 -0.100 0.000 0.995 179 Y HN -0.035 nan 8.280 nan 0.000 0.513 180 L N -0.909 120.186 121.223 -0.212 0.000 2.044 180 L HA -0.189 4.150 4.340 -0.001 0.000 0.205 180 L C 2.296 179.022 176.870 -0.240 0.000 1.075 180 L CA 1.734 56.407 54.840 -0.278 0.000 0.747 180 L CB -1.101 40.800 42.059 -0.263 0.000 0.903 180 L HN 0.178 nan 8.230 nan 0.000 0.435 181 T N -0.691 113.767 114.554 -0.161 0.000 2.737 181 T HA -0.228 4.121 4.350 -0.001 0.000 0.269 181 T C 1.379 176.019 174.700 -0.101 0.000 1.040 181 T CA 1.822 63.863 62.100 -0.098 0.000 1.142 181 T CB -0.301 68.530 68.868 -0.062 0.000 0.861 181 T HN 0.302 nan 8.240 nan 0.000 0.456 182 D N 0.483 120.791 120.400 -0.153 0.000 2.144 182 D HA -0.072 4.568 4.640 -0.001 0.000 0.199 182 D C 2.436 178.638 176.300 -0.163 0.000 0.984 182 D CA 0.696 54.610 54.000 -0.143 0.000 0.834 182 D CB -0.118 40.567 40.800 -0.191 0.000 0.955 182 D HN 0.195 nan 8.370 nan 0.000 0.465 183 Q N -0.430 119.189 119.800 -0.301 0.000 2.234 183 Q HA -0.093 4.246 4.340 -0.001 0.000 0.206 183 Q C 2.125 178.060 176.000 -0.108 0.000 0.980 183 Q CA 0.914 56.573 55.803 -0.241 0.000 0.869 183 Q CB -0.323 28.223 28.738 -0.320 0.000 0.912 183 Q HN 0.490 nan 8.270 nan 0.000 0.436 184 M N -0.234 119.305 119.600 -0.101 0.000 2.200 184 M HA -0.084 4.396 4.480 -0.001 0.000 0.265 184 M C 1.878 178.383 176.300 0.342 0.000 1.066 184 M CA 1.822 57.166 55.300 0.072 0.000 1.127 184 M CB -0.229 32.268 32.600 -0.172 0.000 1.379 184 M HN 0.230 nan 8.290 nan 0.000 0.420 185 T N -2.464 112.227 114.554 0.228 0.000 3.034 185 T HA 0.175 4.524 4.350 -0.001 0.000 0.248 185 T C 1.305 176.159 174.700 0.257 0.000 1.040 185 T CA 0.049 62.317 62.100 0.280 0.000 1.107 185 T CB 0.099 69.084 68.868 0.196 0.000 0.932 185 T HN 0.262 nan 8.240 nan 0.000 0.474 186 R N 1.439 122.027 120.500 0.146 0.000 2.772 186 R HA 0.302 4.642 4.340 -0.001 0.000 0.358 186 R C -2.927 173.377 176.300 0.007 0.000 1.143 186 R CA -1.760 54.419 56.100 0.133 0.000 1.153 186 R CB 0.666 31.029 30.300 0.105 0.000 1.329 186 R HN 0.253 nan 8.270 nan 0.000 0.615 187 P HA -0.180 nan 4.420 nan 0.000 0.259 187 P C 0.191 177.434 177.300 -0.094 0.000 1.155 187 P CA 0.753 63.781 63.100 -0.120 0.000 0.759 187 P CB 0.567 32.147 31.700 -0.199 0.000 0.753 188 D N 2.889 123.251 120.400 -0.064 0.000 2.323 188 D HA -0.043 4.596 4.640 -0.001 0.000 0.209 188 D C 1.443 177.736 176.300 -0.012 0.000 0.973 188 D CA 1.315 55.305 54.000 -0.017 0.000 0.874 188 D CB -0.044 40.761 40.800 0.009 0.000 0.930 188 D HN 0.588 nan 8.370 nan 0.000 0.521 189 G N 0.182 108.964 108.800 -0.030 0.000 2.179 189 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.220 189 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.220 189 G C 1.187 176.089 174.900 0.003 0.000 0.990 189 G CA 0.863 45.949 45.100 -0.024 0.000 0.646 189 G HN 0.382 nan 8.290 nan 0.000 0.517 190 S N -0.311 115.405 115.700 0.026 0.000 2.469 190 S HA 0.253 4.722 4.470 -0.001 0.000 0.238 190 S C 1.109 175.731 174.600 0.036 0.000 0.998 190 S CA 1.570 59.799 58.200 0.047 0.000 0.957 190 S CB -0.326 62.935 63.200 0.102 0.000 0.764 190 S HN 1.655 nan 8.310 nan 0.000 0.514 191 M N 0.704 120.311 119.600 0.012 0.000 2.322 191 M HA 0.461 4.940 4.480 -0.001 0.000 0.285 191 M C -0.453 175.841 176.300 -0.010 0.000 1.119 191 M CA -0.826 54.476 55.300 0.004 0.000 0.953 191 M CB 1.576 34.182 32.600 0.010 0.000 1.701 191 M HN 0.062 nan 8.290 nan 0.000 0.479 192 T N -0.317 114.240 114.554 0.006 0.000 2.663 192 T HA 0.122 4.471 4.350 -0.001 0.000 0.325 192 T C 0.479 175.219 174.700 0.067 0.000 1.059 192 T CA 0.228 62.349 62.100 0.034 0.000 1.039 192 T CB 0.613 69.505 68.868 0.041 0.000 0.996 192 T HN 0.734 nan 8.240 nan 0.000 0.539 193 F N 0.773 120.677 119.950 -0.076 0.000 2.270 193 F HA 0.281 4.808 4.527 -0.001 0.000 0.295 193 F C 2.484 178.204 175.800 -0.133 0.000 1.087 193 F CA 0.667 58.609 58.000 -0.098 0.000 1.365 193 F CB -0.826 38.120 39.000 -0.091 0.000 1.056 193 F HN 0.751 nan 8.300 nan 0.000 0.506 194 A N 1.335 124.341 122.820 0.309 0.000 1.863 194 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 194 A C 2.148 179.712 177.584 -0.034 0.000 1.233 194 A CA 2.299 54.399 52.037 0.106 0.000 0.655 194 A CB -1.150 17.899 19.000 0.082 0.000 0.839 194 A HN 0.507 nan 8.150 nan 0.000 0.454 195 E N -0.078 120.107 120.200 -0.025 0.000 2.035 195 E HA -0.284 4.066 4.350 -0.001 0.000 0.204 195 E C 2.352 178.886 176.600 -0.111 0.000 1.025 195 E CA 1.517 57.889 56.400 -0.047 0.000 0.835 195 E CB -1.263 28.425 29.700 -0.019 0.000 0.764 195 E HN 0.635 nan 8.360 nan 0.000 0.457 196 A N 1.832 124.552 122.820 -0.168 0.000 1.915 196 A HA -0.308 4.011 4.320 -0.001 0.000 0.220 196 A C 2.207 179.605 177.584 -0.309 0.000 1.198 196 A CA 2.466 54.350 52.037 -0.254 0.000 0.647 196 A CB -0.591 18.184 19.000 -0.375 0.000 0.825 196 A HN 0.219 nan 8.150 nan 0.000 0.456 197 K N -1.277 118.854 120.400 -0.449 0.000 1.973 197 K HA -0.153 4.166 4.320 -0.001 0.000 0.210 197 K C 2.085 178.393 176.600 -0.487 0.000 1.045 197 K CA 1.251 57.204 56.287 -0.556 0.000 0.937 197 K CB -0.238 31.858 32.500 -0.673 0.000 0.721 197 K HN 0.327 nan 8.250 nan 0.000 0.438 198 E N 0.578 120.563 120.200 -0.358 0.000 2.095 198 E HA -0.261 4.089 4.350 -0.001 0.000 0.212 198 E C 1.842 178.411 176.600 -0.052 0.000 1.044 198 E CA 1.744 58.038 56.400 -0.178 0.000 0.857 198 E CB -0.618 29.041 29.700 -0.068 0.000 0.764 198 E HN 0.441 nan 8.360 nan 0.000 0.462 199 A N 0.356 123.150 122.820 -0.042 0.000 1.986 199 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 199 A C 2.279 179.939 177.584 0.126 0.000 1.171 199 A CA 1.689 53.758 52.037 0.054 0.000 0.640 199 A CB -0.490 18.534 19.000 0.041 0.000 0.811 199 A HN 0.264 nan 8.150 nan 0.000 0.451 200 L N -2.183 119.083 121.223 0.073 0.000 2.127 200 L HA 0.042 4.381 4.340 -0.001 0.000 0.203 200 L C 2.220 179.285 176.870 0.324 0.000 1.080 200 L CA 1.303 56.231 54.840 0.147 0.000 0.768 200 L CB -0.562 41.513 42.059 0.027 0.000 0.924 200 L HN 0.406 nan 8.230 nan 0.000 0.444 201 Y N 0.484 120.835 120.300 0.085 0.000 2.181 201 Y HA -0.301 4.248 4.550 -0.001 0.000 0.284 201 Y C 2.505 178.457 175.900 0.087 0.000 1.179 201 Y CA 1.287 59.434 58.100 0.077 0.000 1.179 201 Y CB -1.182 37.314 38.460 0.060 0.000 0.973 201 Y HN 0.360 nan 8.280 nan 0.000 0.519 202 D N -1.540 119.024 120.400 0.274 0.000 2.183 202 D HA -0.198 4.441 4.640 -0.001 0.000 0.203 202 D C 2.007 178.403 176.300 0.159 0.000 0.969 202 D CA 0.891 54.995 54.000 0.173 0.000 0.842 202 D CB -0.493 40.389 40.800 0.138 0.000 0.957 202 D HN 0.441 nan 8.370 nan 0.000 0.484 203 Y N 1.454 121.823 120.300 0.114 0.000 2.315 203 Y HA -0.159 4.390 4.550 -0.001 0.000 0.288 203 Y C 1.988 177.920 175.900 0.054 0.000 1.154 203 Y CA 1.182 59.335 58.100 0.089 0.000 1.229 203 Y CB -0.117 38.421 38.460 0.130 0.000 0.980 203 Y HN -0.074 nan 8.280 nan 0.000 0.540 204 L N -1.123 120.165 121.223 0.108 0.000 2.298 204 L HA 0.006 4.345 4.340 -0.001 0.000 0.209 204 L C 2.174 179.004 176.870 -0.067 0.000 1.084 204 L CA 0.431 55.295 54.840 0.041 0.000 0.816 204 L CB -0.040 42.083 42.059 0.106 0.000 0.967 204 L HN 0.228 nan 8.230 nan 0.000 0.460 205 I N 0.103 120.646 120.570 -0.045 0.000 2.703 205 I HA -0.072 4.097 4.170 -0.001 0.000 0.259 205 I C -0.657 175.424 176.117 -0.060 0.000 1.151 205 I CA 0.436 61.708 61.300 -0.047 0.000 1.470 205 I CB -0.255 37.743 38.000 -0.003 0.000 1.112 205 I HN 0.115 nan 8.210 nan 0.000 0.437 206 P HA -0.147 nan 4.420 nan 0.000 0.218 206 P C 1.651 178.887 177.300 -0.106 0.000 1.149 206 P CA 1.334 64.382 63.100 -0.087 0.000 0.817 206 P CB 0.158 31.792 31.700 -0.110 0.000 0.785 207 I N -1.571 118.916 120.570 -0.138 0.000 2.339 207 I HA -0.079 4.090 4.170 -0.001 0.000 0.245 207 I C 2.100 178.165 176.117 -0.087 0.000 1.096 207 I CA 0.931 62.149 61.300 -0.137 0.000 1.408 207 I CB -1.278 36.596 38.000 -0.211 0.000 1.092 207 I HN -0.119 nan 8.210 nan 0.000 0.423 208 I N 1.110 121.633 120.570 -0.079 0.000 2.315 208 I HA -0.283 3.886 4.170 -0.001 0.000 0.251 208 I C 2.513 178.599 176.117 -0.052 0.000 1.125 208 I CA 1.463 62.726 61.300 -0.062 0.000 1.392 208 I CB -0.423 37.536 38.000 -0.068 0.000 1.065 208 I HN 0.278 nan 8.210 nan 0.000 0.424 209 E N -0.401 119.768 120.200 -0.053 0.000 2.086 209 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 209 E C 2.180 178.757 176.600 -0.039 0.000 0.975 209 E CA 0.609 56.983 56.400 -0.042 0.000 0.813 209 E CB 0.056 29.731 29.700 -0.042 0.000 0.768 209 E HN 0.540 nan 8.360 nan 0.000 0.457 210 Q N 0.038 119.810 119.800 -0.047 0.000 2.084 210 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 210 Q C 2.118 178.096 176.000 -0.038 0.000 0.978 210 Q CA 1.046 56.824 55.803 -0.043 0.000 0.844 210 Q CB 0.040 28.747 28.738 -0.051 0.000 0.898 210 Q HN -0.028 nan 8.270 nan 0.000 0.426 211 R N 0.731 121.207 120.500 -0.041 0.000 2.115 211 R HA -0.089 4.250 4.340 -0.001 0.000 0.230 211 R C 1.874 178.157 176.300 -0.028 0.000 1.111 211 R CA 1.297 57.376 56.100 -0.035 0.000 0.976 211 R CB -0.413 29.864 30.300 -0.037 0.000 0.870 211 R HN 0.383 nan 8.270 nan 0.000 0.445 212 R N 0.471 120.955 120.500 -0.027 0.000 2.299 212 R HA 0.036 4.375 4.340 -0.001 0.000 0.197 212 R C 1.238 177.526 176.300 -0.020 0.000 0.971 212 R CA 0.631 56.718 56.100 -0.022 0.000 1.030 212 R CB -0.118 30.169 30.300 -0.020 0.000 0.932 212 R HN 0.347 nan 8.270 nan 0.000 0.477 213 Q N 0.870 120.656 119.800 -0.023 0.000 2.378 213 Q HA 0.149 4.488 4.340 -0.001 0.000 0.216 213 Q C 0.580 176.567 176.000 -0.021 0.000 0.892 213 Q CA 0.343 56.133 55.803 -0.020 0.000 0.931 213 Q CB 0.576 29.302 28.738 -0.021 0.000 1.086 213 Q HN 0.071 nan 8.270 nan 0.000 0.528 214 K N 1.491 121.877 120.400 -0.023 0.000 3.207 214 K HA 0.291 4.610 4.320 -0.001 0.000 0.166 214 K C -2.812 173.774 176.600 -0.024 0.000 1.079 214 K CA -1.738 54.535 56.287 -0.023 0.000 0.818 214 K CB 1.077 33.562 32.500 -0.025 0.000 0.967 214 K HN -0.095 nan 8.250 nan 0.000 0.594 215 P HA 0.060 nan 4.420 nan 0.000 0.266 215 P C -0.089 177.199 177.300 -0.020 0.000 1.193 215 P CA 0.139 63.227 63.100 -0.020 0.000 0.770 215 P CB 1.117 32.806 31.700 -0.017 0.000 0.836 216 G N -0.101 108.687 108.800 -0.021 0.000 2.815 216 G HA2 0.463 4.422 3.960 -0.001 0.000 0.305 216 G HA3 0.463 4.422 3.960 -0.001 0.000 0.305 216 G C 0.072 174.959 174.900 -0.022 0.000 1.277 216 G CA -0.023 45.063 45.100 -0.023 0.000 0.795 216 G HN 0.388 nan 8.290 nan 0.000 0.528 217 T N -1.871 112.668 114.554 -0.024 0.000 3.010 217 T HA 0.238 4.587 4.350 -0.001 0.000 0.257 217 T C 0.234 174.917 174.700 -0.028 0.000 1.020 217 T CA 0.666 62.752 62.100 -0.024 0.000 0.938 217 T CB -0.103 68.751 68.868 -0.022 0.000 1.049 217 T HN 0.598 nan 8.240 nan 0.000 0.522 218 D N 1.097 121.476 120.400 -0.035 0.000 2.253 218 D HA 0.482 5.121 4.640 -0.001 0.000 0.249 218 D C 1.470 177.749 176.300 -0.036 0.000 1.049 218 D CA -0.140 53.832 54.000 -0.046 0.000 0.929 218 D CB 1.898 42.665 40.800 -0.056 0.000 1.176 218 D HN 0.068 nan 8.370 nan 0.000 0.437 219 A N 2.758 125.555 122.820 -0.038 0.000 1.893 219 A HA -0.292 4.027 4.320 -0.001 0.000 0.222 219 A C 2.237 179.814 177.584 -0.011 0.000 1.309 219 A CA 2.051 54.079 52.037 -0.016 0.000 0.681 219 A CB -0.927 18.071 19.000 -0.004 0.000 0.842 219 A HN 0.752 nan 8.150 nan 0.000 0.468 220 I N -0.285 120.272 120.570 -0.021 0.000 2.145 220 I HA -0.277 3.893 4.170 -0.001 0.000 0.244 220 I C 2.632 178.736 176.117 -0.022 0.000 1.075 220 I CA 2.299 63.587 61.300 -0.019 0.000 1.332 220 I CB -1.459 36.529 38.000 -0.020 0.000 1.033 220 I HN 0.345 nan 8.210 nan 0.000 0.410 221 S N 0.895 116.580 115.700 -0.025 0.000 2.357 221 S HA -0.006 4.463 4.470 -0.001 0.000 0.221 221 S C 2.045 176.635 174.600 -0.015 0.000 1.031 221 S CA 0.820 59.007 58.200 -0.023 0.000 0.982 221 S CB -0.240 62.946 63.200 -0.024 0.000 0.853 221 S HN 0.305 nan 8.310 nan 0.000 0.458 222 I N 1.560 122.122 120.570 -0.013 0.000 2.053 222 I HA -0.219 3.950 4.170 -0.001 0.000 0.236 222 I C 2.267 178.385 176.117 0.001 0.000 1.038 222 I CA 1.258 62.554 61.300 -0.006 0.000 1.304 222 I CB -0.898 37.100 38.000 -0.004 0.000 1.023 222 I HN 0.126 nan 8.210 nan 0.000 0.395 223 V N 1.121 121.038 119.914 0.005 0.000 2.324 223 V HA -0.332 3.787 4.120 -0.001 0.000 0.250 223 V C 2.568 178.667 176.094 0.008 0.000 1.060 223 V CA 2.204 64.512 62.300 0.014 0.000 1.042 223 V CB -1.056 30.770 31.823 0.005 0.000 0.650 223 V HN 0.583 nan 8.190 nan 0.000 0.450 224 A N -0.322 122.494 122.820 -0.007 0.000 2.119 224 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 224 A C 1.651 179.230 177.584 -0.007 0.000 1.152 224 A CA 1.282 53.312 52.037 -0.012 0.000 0.708 224 A CB -0.580 18.404 19.000 -0.026 0.000 0.805 224 A HN 0.659 nan 8.150 nan 0.000 0.460 225 N N -0.330 118.366 118.700 -0.006 0.000 2.295 225 N HA 0.306 5.045 4.740 -0.001 0.000 0.221 225 N C 0.636 176.145 175.510 -0.003 0.000 1.129 225 N CA 0.282 53.328 53.050 -0.007 0.000 0.836 225 N CB 0.621 39.102 38.487 -0.011 0.000 1.040 225 N HN 0.430 nan 8.380 nan 0.000 0.494 226 G N -0.518 108.284 108.800 0.005 0.000 2.642 226 G HA2 0.456 4.415 3.960 -0.001 0.000 0.291 226 G HA3 0.456 4.415 3.960 -0.001 0.000 0.291 226 G C -0.722 174.175 174.900 -0.005 0.000 1.345 226 G CA -0.322 44.780 45.100 0.002 0.000 1.043 226 G HN 0.054 nan 8.290 nan 0.000 0.528 227 Q N -1.302 118.485 119.800 -0.020 0.000 2.372 227 Q HA 0.521 4.860 4.340 -0.001 0.000 0.273 227 Q C -1.275 174.674 176.000 -0.085 0.000 1.078 227 Q CA -0.879 54.900 55.803 -0.040 0.000 0.806 227 Q CB 2.949 31.663 28.738 -0.039 0.000 1.332 227 Q HN 0.607 nan 8.270 nan 0.000 0.435 228 V N 0.622 120.462 119.914 -0.124 0.000 2.524 228 V HA 0.566 4.685 4.120 -0.001 0.000 0.297 228 V C -0.289 175.656 176.094 -0.249 0.000 1.035 228 V CA -0.026 62.112 62.300 -0.270 0.000 0.867 228 V CB 1.259 32.737 31.823 -0.574 0.000 1.004 228 V HN 1.111 nan 8.190 nan 0.000 0.426 229 N N 3.189 121.755 118.700 -0.224 0.000 2.961 229 N HA -0.079 4.660 4.740 -0.001 0.000 0.178 229 N C 0.809 176.262 175.510 -0.096 0.000 1.186 229 N CA 1.563 54.520 53.050 -0.155 0.000 1.024 229 N CB -1.216 37.188 38.487 -0.138 0.000 0.976 229 N HN 2.492 nan 8.380 nan 0.000 0.558 230 G N 0.329 109.077 108.800 -0.087 0.000 2.797 230 G HA2 0.156 4.116 3.960 -0.001 0.000 0.192 230 G HA3 0.156 4.116 3.960 -0.001 0.000 0.192 230 G C -0.950 173.921 174.900 -0.049 0.000 1.101 230 G CA 0.087 45.151 45.100 -0.059 0.000 0.930 230 G HN 0.797 nan 8.290 nan 0.000 0.512 231 R N -1.803 118.666 120.500 -0.052 0.000 2.907 231 R HA 0.585 4.924 4.340 -0.001 0.000 0.246 231 R C -3.495 172.788 176.300 -0.029 0.000 1.082 231 R CA -1.895 54.183 56.100 -0.036 0.000 1.003 231 R CB -0.626 29.655 30.300 -0.032 0.000 1.261 231 R HN 0.053 nan 8.270 nan 0.000 0.474 232 P HA 0.014 nan 4.420 nan 0.000 0.264 232 P C -0.304 177.000 177.300 0.006 0.000 1.179 232 P CA 0.028 63.124 63.100 -0.006 0.000 0.763 232 P CB 0.454 32.152 31.700 -0.005 0.000 0.806 233 I N 2.373 122.955 120.570 0.019 0.000 2.428 233 I HA 0.297 4.466 4.170 -0.001 0.000 0.296 233 I C 0.369 176.512 176.117 0.043 0.000 0.985 233 I CA -0.480 60.855 61.300 0.057 0.000 1.260 233 I CB 1.444 39.493 38.000 0.082 0.000 1.389 233 I HN 0.350 nan 8.210 nan 0.000 0.484 234 T N 2.277 116.861 114.554 0.050 0.000 2.816 234 T HA 0.112 4.461 4.350 -0.001 0.000 0.282 234 T C 1.054 175.754 174.700 -0.000 0.000 0.993 234 T CA -0.403 61.710 62.100 0.022 0.000 0.994 234 T CB 1.551 70.435 68.868 0.027 0.000 1.025 234 T HN 0.654 nan 8.240 nan 0.000 0.529 235 S N -0.212 115.479 115.700 -0.016 0.000 2.383 235 S HA -0.187 4.282 4.470 -0.001 0.000 0.229 235 S C 1.691 176.249 174.600 -0.070 0.000 1.030 235 S CA 1.940 60.117 58.200 -0.038 0.000 1.002 235 S CB -0.815 62.364 63.200 -0.037 0.000 0.829 235 S HN 0.944 nan 8.310 nan 0.000 0.467 236 D N 0.146 120.508 120.400 -0.063 0.000 2.149 236 D HA -0.075 4.564 4.640 -0.001 0.000 0.201 236 D C 1.865 178.097 176.300 -0.114 0.000 0.972 236 D CA 1.095 55.040 54.000 -0.091 0.000 0.835 236 D CB -0.150 40.627 40.800 -0.039 0.000 0.966 236 D HN 0.516 nan 8.370 nan 0.000 0.476 237 E N 0.082 120.240 120.200 -0.071 0.000 2.265 237 E HA -0.120 4.229 4.350 -0.001 0.000 0.196 237 E C 2.044 178.559 176.600 -0.142 0.000 0.996 237 E CA 0.699 57.031 56.400 -0.112 0.000 0.832 237 E CB -0.073 29.613 29.700 -0.024 0.000 0.756 237 E HN 0.421 nan 8.360 nan 0.000 0.491 238 A N 1.693 124.449 122.820 -0.106 0.000 1.897 238 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 238 A C 2.048 179.530 177.584 -0.170 0.000 1.181 238 A CA 1.116 53.096 52.037 -0.095 0.000 0.620 238 A CB -0.161 18.807 19.000 -0.055 0.000 0.821 238 A HN -0.001 nan 8.150 nan 0.000 0.443 239 K N -0.531 119.716 120.400 -0.255 0.000 2.057 239 K HA -0.089 4.231 4.320 -0.001 0.000 0.206 239 K C 2.332 178.572 176.600 -0.600 0.000 1.050 239 K CA 1.096 57.109 56.287 -0.457 0.000 0.935 239 K CB -0.166 31.907 32.500 -0.712 0.000 0.715 239 K HN 0.378 nan 8.250 nan 0.000 0.439 240 R N 0.411 120.626 120.500 -0.474 0.000 2.119 240 R HA -0.215 4.124 4.340 -0.001 0.000 0.246 240 R C 2.424 178.604 176.300 -0.201 0.000 1.146 240 R CA 2.264 58.239 56.100 -0.208 0.000 0.962 240 R CB -0.369 29.866 30.300 -0.108 0.000 0.863 240 R HN 0.359 nan 8.270 nan 0.000 0.442 241 M N -0.849 118.614 119.600 -0.228 0.000 2.248 241 M HA -0.043 4.436 4.480 -0.001 0.000 0.265 241 M C 2.168 178.346 176.300 -0.203 0.000 1.079 241 M CA 1.537 56.730 55.300 -0.178 0.000 1.150 241 M CB -0.165 32.365 32.600 -0.116 0.000 1.366 241 M HN 0.052 nan 8.290 nan 0.000 0.433 242 C N 1.521 120.692 119.300 -0.215 0.000 2.429 242 C HA -0.017 4.442 4.460 -0.001 0.000 0.277 242 C C 2.892 177.698 174.990 -0.307 0.000 1.262 242 C CA 1.097 60.012 59.018 -0.172 0.000 1.733 242 C CB -1.837 25.827 27.740 -0.127 0.000 2.010 242 C HN 0.858 nan 8.230 nan 0.000 0.483 243 G N 0.720 109.180 108.800 -0.567 0.000 2.599 243 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.219 243 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.219 243 G C 1.716 175.603 174.900 -1.688 0.000 1.193 243 G CA 1.634 45.926 45.100 -1.347 0.000 0.778 243 G HN 0.685 nan 8.290 nan 0.000 0.589 244 A N 0.958 123.147 122.820 -1.050 0.000 2.365 244 A HA -0.105 4.215 4.320 -0.001 0.000 0.201 244 A C 2.361 179.799 177.584 -0.243 0.000 1.169 244 A CA 1.968 53.804 52.037 -0.334 0.000 0.869 244 A CB -1.082 17.906 19.000 -0.020 0.000 0.810 244 A HN 0.516 nan 8.150 nan 0.000 0.540 245 L N -1.214 119.926 121.223 -0.139 0.000 2.169 245 L HA -0.399 3.940 4.340 -0.001 0.000 0.244 245 L C 2.398 179.049 176.870 -0.365 0.000 1.122 245 L CA 2.074 56.848 54.840 -0.110 0.000 0.848 245 L CB -1.343 40.758 42.059 0.070 0.000 0.953 245 L HN 0.549 nan 8.230 nan 0.000 0.447 246 L N -0.990 120.092 121.223 -0.234 0.000 2.486 246 L HA -0.368 3.971 4.340 -0.001 0.000 0.222 246 L C 2.301 178.992 176.870 -0.299 0.000 1.121 246 L CA 2.499 57.196 54.840 -0.238 0.000 0.856 246 L CB -1.398 40.589 42.059 -0.119 0.000 0.924 246 L HN 0.340 nan 8.230 nan 0.000 0.453 247 V N -1.752 118.042 119.914 -0.199 0.000 2.992 247 V HA 0.042 4.161 4.120 -0.001 0.000 0.250 247 V C 2.369 178.402 176.094 -0.102 0.000 1.090 247 V CA 1.319 63.581 62.300 -0.064 0.000 1.101 247 V CB -0.079 31.832 31.823 0.148 0.000 0.743 247 V HN 0.522 nan 8.190 nan 0.000 0.468 248 G N 0.395 109.079 108.800 -0.193 0.000 2.539 248 G HA2 0.043 4.002 3.960 -0.001 0.000 0.215 248 G HA3 0.043 4.002 3.960 -0.001 0.000 0.215 248 G C 1.550 176.280 174.900 -0.283 0.000 1.141 248 G CA 0.739 45.747 45.100 -0.154 0.000 0.806 248 G HN 0.531 nan 8.290 nan 0.000 0.533 249 G N 0.558 108.953 108.800 -0.674 0.000 2.422 249 G HA2 0.008 3.967 3.960 -0.001 0.000 0.218 249 G HA3 0.008 3.967 3.960 -0.001 0.000 0.218 249 G C 1.396 176.022 174.900 -0.456 0.000 1.140 249 G CA 0.576 45.000 45.100 -1.126 0.000 0.775 249 G HN 0.345 nan 8.290 nan 0.000 0.545 250 L N -0.921 120.114 121.223 -0.313 0.000 2.766 250 L HA 0.416 4.755 4.340 -0.001 0.000 0.242 250 L C 1.081 177.920 176.870 -0.052 0.000 1.136 250 L CA 0.635 55.411 54.840 -0.107 0.000 0.933 250 L CB 1.149 43.168 42.059 -0.066 0.000 1.241 250 L HN 0.132 nan 8.230 nan 0.000 0.522 251 D N -2.960 117.410 120.400 -0.049 0.000 2.368 251 D HA -0.012 4.627 4.640 -0.001 0.000 0.305 251 D C 1.657 177.971 176.300 0.022 0.000 1.143 251 D CA 1.129 55.126 54.000 -0.005 0.000 0.847 251 D CB 0.628 41.432 40.800 0.007 0.000 1.357 251 D HN 0.158 nan 8.370 nan 0.000 0.526 252 T N -2.438 112.130 114.554 0.023 0.000 3.044 252 T HA 0.087 4.436 4.350 -0.001 0.000 0.237 252 T C 1.935 176.694 174.700 0.100 0.000 1.001 252 T CA 0.846 62.973 62.100 0.045 0.000 1.160 252 T CB -0.529 68.350 68.868 0.019 0.000 0.889 252 T HN -0.104 nan 8.240 nan 0.000 0.442 253 V N 2.036 122.008 119.914 0.098 0.000 2.358 253 V HA -0.119 4.000 4.120 -0.001 0.000 0.246 253 V C 2.903 179.107 176.094 0.184 0.000 1.047 253 V CA 1.250 63.655 62.300 0.175 0.000 1.035 253 V CB -0.913 30.991 31.823 0.136 0.000 0.658 253 V HN 0.334 nan 8.190 nan 0.000 0.452 254 V N 1.394 121.366 119.914 0.098 0.000 2.231 254 V HA -0.332 3.787 4.120 -0.001 0.000 0.250 254 V C 2.269 178.406 176.094 0.072 0.000 1.058 254 V CA 2.657 65.004 62.300 0.079 0.000 1.022 254 V CB -0.850 30.991 31.823 0.031 0.000 0.640 254 V HN 0.670 nan 8.190 nan 0.000 0.445 255 N N -0.880 117.845 118.700 0.042 0.000 2.270 255 N HA -0.131 4.608 4.740 -0.001 0.000 0.181 255 N C 1.843 177.335 175.510 -0.030 0.000 1.016 255 N CA 1.309 54.327 53.050 -0.054 0.000 0.870 255 N CB -0.298 38.140 38.487 -0.081 0.000 0.979 255 N HN 0.499 nan 8.380 nan 0.000 0.431 256 F N 2.725 122.701 119.950 0.043 0.000 2.126 256 F HA -0.082 4.444 4.527 -0.002 0.000 0.299 256 F C 2.121 177.971 175.800 0.083 0.000 1.096 256 F CA 0.990 59.064 58.000 0.124 0.000 1.255 256 F CB -0.439 38.607 39.000 0.078 0.000 0.997 256 F HN -0.118 nan 8.300 nan 0.000 0.479 257 L N -0.495 120.788 121.223 0.101 0.000 1.989 257 L HA -0.296 4.043 4.340 -0.001 0.000 0.211 257 L C 2.549 179.312 176.870 -0.178 0.000 1.071 257 L CA 1.689 56.552 54.840 0.039 0.000 0.749 257 L CB -1.234 41.036 42.059 0.351 0.000 0.890 257 L HN 0.060 nan 8.230 nan 0.000 0.431 258 S N 0.047 115.698 115.700 -0.082 0.000 2.389 258 S HA -0.242 4.227 4.470 -0.001 0.000 0.231 258 S C 1.761 176.033 174.600 -0.547 0.000 1.052 258 S CA 1.808 59.827 58.200 -0.301 0.000 1.053 258 S CB -0.682 62.397 63.200 -0.201 0.000 0.886 258 S HN 0.230 nan 8.310 nan 0.000 0.456 259 F N 2.091 121.762 119.950 -0.465 0.000 2.161 259 F HA -0.105 4.421 4.527 -0.001 0.000 0.300 259 F C 2.762 178.004 175.800 -0.931 0.000 1.089 259 F CA 0.889 58.471 58.000 -0.697 0.000 1.282 259 F CB -1.131 37.477 39.000 -0.654 0.000 1.010 259 F HN 0.108 nan 8.300 nan 0.000 0.485 260 S N -0.571 114.719 115.700 -0.683 0.000 2.402 260 S HA -0.194 4.275 4.470 -0.001 0.000 0.229 260 S C 1.894 176.250 174.600 -0.407 0.000 1.021 260 S CA 1.569 59.420 58.200 -0.582 0.000 0.974 260 S CB -0.247 62.670 63.200 -0.472 0.000 0.800 260 S HN 0.409 nan 8.310 nan 0.000 0.484 261 M N 0.807 120.080 119.600 -0.545 0.000 2.538 261 M HA 0.263 4.742 4.480 -0.001 0.000 0.259 261 M C 1.630 177.691 176.300 -0.398 0.000 1.217 261 M CA 0.569 55.496 55.300 -0.623 0.000 1.131 261 M CB -0.014 31.815 32.600 -1.286 0.000 1.382 261 M HN 0.210 nan 8.290 nan 0.000 0.520 262 E N 0.194 120.188 120.200 -0.343 0.000 2.021 262 E HA -0.296 4.054 4.350 -0.001 0.000 0.200 262 E C 1.798 178.323 176.600 -0.124 0.000 1.015 262 E CA 2.184 58.480 56.400 -0.173 0.000 0.824 262 E CB -0.599 29.043 29.700 -0.096 0.000 0.762 262 E HN 0.513 nan 8.360 nan 0.000 0.454 263 F N 1.243 121.039 119.950 -0.257 0.000 2.115 263 F HA -0.208 4.318 4.527 -0.002 0.000 0.300 263 F C 1.998 177.738 175.800 -0.100 0.000 1.092 263 F CA 1.575 59.475 58.000 -0.166 0.000 1.245 263 F CB -0.166 38.660 39.000 -0.289 0.000 0.995 263 F HN 0.092 nan 8.300 nan 0.000 0.481 264 L N -0.857 120.142 121.223 -0.373 0.000 2.202 264 L HA 0.041 4.380 4.340 -0.001 0.000 0.205 264 L C 2.710 179.346 176.870 -0.390 0.000 1.083 264 L CA 0.941 55.576 54.840 -0.341 0.000 0.790 264 L CB -1.142 40.955 42.059 0.063 0.000 0.942 264 L HN 0.198 nan 8.230 nan 0.000 0.452 265 A N 0.467 123.166 122.820 -0.202 0.000 2.042 265 A HA -0.238 4.081 4.320 -0.001 0.000 0.222 265 A C 1.713 179.054 177.584 -0.405 0.000 1.167 265 A CA 1.687 53.504 52.037 -0.366 0.000 0.649 265 A CB -0.352 18.632 19.000 -0.026 0.000 0.809 265 A HN 0.350 nan 8.150 nan 0.000 0.457 266 K N -0.635 119.537 120.400 -0.380 0.000 2.814 266 K HA 0.280 4.599 4.320 -0.001 0.000 0.213 266 K C -0.110 176.235 176.600 -0.425 0.000 1.113 266 K CA 0.214 56.299 56.287 -0.338 0.000 1.145 266 K CB 0.394 32.778 32.500 -0.194 0.000 0.948 266 K HN 0.154 nan 8.250 nan 0.000 0.464 267 S N 0.647 116.054 115.700 -0.489 0.000 2.486 267 S HA 0.243 4.712 4.470 -0.001 0.000 0.144 267 S C -2.249 172.241 174.600 -0.183 0.000 1.542 267 S CA -1.410 56.593 58.200 -0.328 0.000 1.262 267 S CB 0.327 63.197 63.200 -0.550 0.000 1.462 267 S HN -0.032 nan 8.310 nan 0.000 0.381 268 P HA -0.238 nan 4.420 nan 0.000 0.224 268 P C 0.953 178.204 177.300 -0.083 0.000 1.153 268 P CA 1.851 64.876 63.100 -0.125 0.000 0.947 268 P CB 0.123 31.761 31.700 -0.103 0.000 0.790 269 E N -2.843 117.298 120.200 -0.099 0.000 2.338 269 E HA -0.188 4.161 4.350 -0.001 0.000 0.197 269 E C 1.775 178.270 176.600 -0.176 0.000 1.007 269 E CA 0.676 56.991 56.400 -0.142 0.000 0.849 269 E CB -0.465 29.117 29.700 -0.197 0.000 0.774 269 E HN 0.524 nan 8.360 nan 0.000 0.506 270 H N 0.601 119.664 119.070 -0.011 0.000 2.268 270 H HA 0.028 4.583 4.556 -0.001 0.000 0.304 270 H C 1.917 177.368 175.328 0.205 0.000 1.064 270 H CA 1.302 57.428 56.048 0.130 0.000 1.316 270 H CB 0.034 29.939 29.762 0.240 0.000 1.386 270 H HN -0.021 nan 8.280 nan 0.000 0.496 271 R N 0.402 121.028 120.500 0.210 0.000 2.312 271 R HA -0.318 4.021 4.340 -0.001 0.000 0.233 271 R C 1.942 178.317 176.300 0.124 0.000 1.097 271 R CA 2.324 58.505 56.100 0.135 0.000 0.864 271 R CB -0.924 29.389 30.300 0.020 0.000 0.987 271 R HN 0.509 nan 8.270 nan 0.000 0.405 272 Q N -0.017 119.825 119.800 0.070 0.000 2.245 272 Q HA -0.105 4.235 4.340 -0.001 0.000 0.201 272 Q C 2.026 178.067 176.000 0.069 0.000 0.955 272 Q CA 1.064 56.900 55.803 0.055 0.000 0.870 272 Q CB -0.019 28.731 28.738 0.019 0.000 0.945 272 Q HN 0.568 nan 8.270 nan 0.000 0.461 273 E N 0.658 120.912 120.200 0.090 0.000 2.204 273 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 273 E C 1.810 178.499 176.600 0.148 0.000 0.989 273 E CA 0.449 56.919 56.400 0.116 0.000 0.824 273 E CB 0.076 29.861 29.700 0.143 0.000 0.756 273 E HN 0.271 nan 8.360 nan 0.000 0.477 274 L N 0.241 121.563 121.223 0.165 0.000 2.102 274 L HA -0.026 4.313 4.340 -0.001 0.000 0.202 274 L C 2.520 179.445 176.870 0.090 0.000 1.076 274 L CA 0.490 55.407 54.840 0.127 0.000 0.761 274 L CB -0.277 41.862 42.059 0.133 0.000 0.921 274 L HN 0.215 nan 8.230 nan 0.000 0.444 275 I N 0.659 121.283 120.570 0.090 0.000 2.118 275 I HA -0.324 3.845 4.170 -0.001 0.000 0.241 275 I C 1.796 177.944 176.117 0.052 0.000 1.070 275 I CA 1.940 63.279 61.300 0.066 0.000 1.327 275 I CB -0.085 37.953 38.000 0.063 0.000 1.034 275 I HN 0.411 nan 8.210 nan 0.000 0.405 276 E N -0.006 120.225 120.200 0.052 0.000 2.548 276 E HA 0.209 4.558 4.350 -0.001 0.000 0.206 276 E C 0.422 177.051 176.600 0.047 0.000 1.005 276 E CA -0.158 56.267 56.400 0.042 0.000 0.951 276 E CB 0.391 30.112 29.700 0.035 0.000 1.035 276 E HN 0.318 nan 8.360 nan 0.000 0.470 277 R N 1.333 121.869 120.500 0.060 0.000 2.674 277 R HA 0.177 4.517 4.340 -0.001 0.000 0.270 277 R C -2.125 174.213 176.300 0.063 0.000 1.492 277 R CA -1.474 54.664 56.100 0.063 0.000 1.624 277 R CB 0.894 31.239 30.300 0.075 0.000 1.307 277 R HN 0.031 nan 8.270 nan 0.000 0.683 278 P HA -0.226 nan 4.420 nan 0.000 0.218 278 P C 0.774 178.097 177.300 0.038 0.000 1.148 278 P CA 1.319 64.445 63.100 0.043 0.000 0.822 278 P CB 0.307 32.029 31.700 0.037 0.000 0.784 279 E N 0.153 120.377 120.200 0.039 0.000 2.416 279 E HA -0.069 4.280 4.350 -0.001 0.000 0.189 279 E C 1.136 177.758 176.600 0.037 0.000 1.091 279 E CA 0.220 56.641 56.400 0.035 0.000 0.889 279 E CB -0.405 29.315 29.700 0.033 0.000 1.015 279 E HN 0.267 nan 8.360 nan 0.000 0.479 280 R N 0.218 120.742 120.500 0.039 0.000 2.365 280 R HA 0.301 4.640 4.340 -0.001 0.000 0.223 280 R C 2.078 178.362 176.300 -0.027 0.000 0.899 280 R CA -0.088 56.031 56.100 0.031 0.000 1.059 280 R CB -0.003 30.340 30.300 0.073 0.000 1.086 280 R HN 0.199 nan 8.270 nan 0.000 0.522 281 I N 2.255 122.815 120.570 -0.017 0.000 2.074 281 I HA -0.280 3.889 4.170 -0.001 0.000 0.238 281 I C -0.688 175.401 176.117 -0.047 0.000 1.037 281 I CA 1.884 63.160 61.300 -0.040 0.000 1.301 281 I CB -1.684 36.322 38.000 0.010 0.000 1.016 281 I HN 0.008 nan 8.210 nan 0.000 0.400 282 P HA -0.279 nan 4.420 nan 0.000 0.216 282 P C 1.545 178.848 177.300 0.005 0.000 1.167 282 P CA 2.500 65.610 63.100 0.017 0.000 0.914 282 P CB -0.131 31.586 31.700 0.029 0.000 0.793 283 A N -0.439 122.380 122.820 -0.002 0.000 1.902 283 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 283 A C 2.352 179.903 177.584 -0.055 0.000 1.181 283 A CA 2.346 54.389 52.037 0.010 0.000 0.623 283 A CB -1.643 17.384 19.000 0.045 0.000 0.818 283 A HN 0.212 nan 8.150 nan 0.000 0.443 284 A N -1.045 121.633 122.820 -0.236 0.000 1.940 284 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 284 A C 2.383 179.719 177.584 -0.413 0.000 1.176 284 A CA 1.731 53.309 52.037 -0.764 0.000 0.631 284 A CB -1.504 16.856 19.000 -1.066 0.000 0.814 284 A HN 0.803 nan 8.150 nan 0.000 0.446 285 C N -0.753 118.460 119.300 -0.146 0.000 2.398 285 C HA -0.161 4.298 4.460 -0.001 0.000 0.276 285 C C 2.622 177.657 174.990 0.074 0.000 1.222 285 C CA 1.913 60.960 59.018 0.047 0.000 1.746 285 C CB -1.066 26.716 27.740 0.070 0.000 2.039 285 C HN 0.672 nan 8.230 nan 0.000 0.470 286 E N 0.306 120.536 120.200 0.050 0.000 2.153 286 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 286 E C 1.984 178.634 176.600 0.084 0.000 0.988 286 E CA 1.669 58.122 56.400 0.089 0.000 0.811 286 E CB -0.286 29.487 29.700 0.122 0.000 0.746 286 E HN 0.862 nan 8.360 nan 0.000 0.466 287 E N -0.633 119.623 120.200 0.094 0.000 2.216 287 E HA 0.037 4.386 4.350 -0.001 0.000 0.192 287 E C 1.880 178.547 176.600 0.111 0.000 0.973 287 E CA 0.286 56.767 56.400 0.135 0.000 0.851 287 E CB -0.242 29.616 29.700 0.264 0.000 0.804 287 E HN 0.224 nan 8.360 nan 0.000 0.477 288 L N 0.477 121.815 121.223 0.192 0.000 2.081 288 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 288 L C 2.312 179.416 176.870 0.390 0.000 1.080 288 L CA 1.092 56.141 54.840 0.349 0.000 0.754 288 L CB -0.310 42.041 42.059 0.486 0.000 0.893 288 L HN 0.300 nan 8.230 nan 0.000 0.433 289 L N -0.921 120.354 121.223 0.086 0.000 2.240 289 L HA -0.119 4.220 4.340 -0.001 0.000 0.211 289 L C 2.752 179.430 176.870 -0.321 0.000 1.106 289 L CA 0.698 55.339 54.840 -0.331 0.000 0.793 289 L CB -0.288 41.389 42.059 -0.637 0.000 0.927 289 L HN 0.246 nan 8.230 nan 0.000 0.446 290 R N -0.056 120.323 120.500 -0.202 0.000 2.140 290 R HA -0.102 4.237 4.340 -0.001 0.000 0.213 290 R C 2.325 178.484 176.300 -0.235 0.000 1.059 290 R CA 0.581 56.582 56.100 -0.164 0.000 1.000 290 R CB 0.087 30.386 30.300 -0.002 0.000 0.910 290 R HN 0.051 nan 8.270 nan 0.000 0.455 291 R N 0.093 120.396 120.500 -0.328 0.000 2.092 291 R HA -0.047 4.292 4.340 -0.001 0.000 0.231 291 R C 0.396 176.143 176.300 -0.923 0.000 1.119 291 R CA 1.605 57.299 56.100 -0.676 0.000 0.970 291 R CB -0.108 29.628 30.300 -0.939 0.000 0.864 291 R HN 0.265 nan 8.270 nan 0.000 0.440 292 F N -0.261 119.632 119.950 -0.095 0.000 2.850 292 F HA 0.418 4.944 4.527 -0.001 0.000 0.329 292 F C 0.357 176.112 175.800 -0.075 0.000 1.182 292 F CA -0.628 57.234 58.000 -0.229 0.000 1.270 292 F CB 0.042 38.858 39.000 -0.306 0.000 0.979 292 F HN -0.159 nan 8.300 nan 0.000 0.506 293 S N 2.279 117.939 115.700 -0.066 0.000 2.536 293 S HA 0.094 4.564 4.470 -0.001 0.000 0.290 293 S C 0.657 175.121 174.600 -0.226 0.000 1.302 293 S CA 0.507 58.578 58.200 -0.215 0.000 1.037 293 S CB 0.394 63.428 63.200 -0.277 0.000 0.804 293 S HN 0.642 nan 8.310 nan 0.000 0.506 294 L N 1.854 122.937 121.223 -0.234 0.000 3.914 294 L HA 0.513 4.852 4.340 -0.001 0.000 0.382 294 L C -1.163 175.563 176.870 -0.240 0.000 1.274 294 L CA -0.648 54.061 54.840 -0.218 0.000 1.211 294 L CB -0.097 41.967 42.059 0.009 0.000 1.447 294 L HN 0.364 nan 8.230 nan 0.000 0.610 295 V N 1.963 121.718 119.914 -0.265 0.000 2.532 295 V HA 0.853 4.972 4.120 -0.001 0.000 0.295 295 V C 0.471 176.386 176.094 -0.298 0.000 1.041 295 V CA 0.223 62.376 62.300 -0.244 0.000 0.926 295 V CB 1.535 33.249 31.823 -0.182 0.000 0.992 295 V HN 0.399 nan 8.190 nan 0.000 0.457 296 A N 3.826 126.469 122.820 -0.294 0.000 2.651 296 A HA 0.717 5.036 4.320 -0.001 0.000 0.290 296 A C -0.776 176.673 177.584 -0.225 0.000 1.185 296 A CA -0.629 51.258 52.037 -0.250 0.000 0.746 296 A CB 0.592 19.370 19.000 -0.371 0.000 1.213 296 A HN 0.850 nan 8.150 nan 0.000 0.429 297 D N 1.291 121.580 120.400 -0.186 0.000 2.758 297 D HA 0.832 5.471 4.640 -0.001 0.000 0.262 297 D C 0.450 176.685 176.300 -0.107 0.000 1.113 297 D CA 0.067 53.890 54.000 -0.294 0.000 1.114 297 D CB 1.125 41.658 40.800 -0.445 0.000 1.363 297 D HN 0.601 nan 8.370 nan 0.000 0.617 298 G N -1.683 107.050 108.800 -0.112 0.000 3.183 298 G HA2 0.675 4.634 3.960 -0.001 0.000 0.247 298 G HA3 0.675 4.634 3.960 -0.001 0.000 0.247 298 G C -0.762 174.132 174.900 -0.009 0.000 1.211 298 G CA -0.657 44.405 45.100 -0.063 0.000 0.835 298 G HN 0.425 nan 8.290 nan 0.000 0.604 299 R N -1.612 118.905 120.500 0.028 0.000 2.781 299 R HA 0.581 4.920 4.340 -0.001 0.000 0.268 299 R C -1.531 174.854 176.300 0.142 0.000 1.047 299 R CA -0.628 55.533 56.100 0.101 0.000 0.925 299 R CB 1.174 31.579 30.300 0.175 0.000 1.246 299 R HN 0.654 nan 8.270 nan 0.000 0.456 300 I N 0.694 121.352 120.570 0.147 0.000 2.828 300 I HA 0.376 4.545 4.170 -0.001 0.000 0.302 300 I C -0.713 175.479 176.117 0.125 0.000 1.101 300 I CA -1.033 60.354 61.300 0.145 0.000 1.031 300 I CB 1.630 39.688 38.000 0.096 0.000 1.231 300 I HN 0.261 nan 8.210 nan 0.000 0.427 301 L N 4.718 126.023 121.223 0.136 0.000 2.456 301 L HA 0.130 4.469 4.340 -0.001 0.000 0.272 301 L C 1.553 178.417 176.870 -0.010 0.000 1.189 301 L CA 0.279 55.134 54.840 0.025 0.000 0.846 301 L CB 1.049 43.152 42.059 0.075 0.000 1.111 301 L HN 0.852 nan 8.230 nan 0.000 0.475 302 T N -2.142 112.358 114.554 -0.091 0.000 3.035 302 T HA 0.031 4.380 4.350 -0.001 0.000 0.259 302 T C 0.716 175.374 174.700 -0.070 0.000 1.078 302 T CA 0.470 62.518 62.100 -0.088 0.000 1.132 302 T CB 0.179 68.962 68.868 -0.143 0.000 0.900 302 T HN 0.660 nan 8.240 nan 0.000 0.480 303 S N 0.006 115.672 115.700 -0.057 0.000 2.570 303 S HA 0.456 4.925 4.470 -0.001 0.000 0.270 303 S C -1.756 172.885 174.600 0.068 0.000 1.149 303 S CA -1.106 57.091 58.200 -0.006 0.000 0.837 303 S CB 1.237 64.411 63.200 -0.044 0.000 1.124 303 S HN 0.107 nan 8.310 nan 0.000 0.465 304 D N 1.201 121.646 120.400 0.075 0.000 2.703 304 D HA 0.218 4.857 4.640 -0.001 0.000 0.225 304 D C -0.692 175.725 176.300 0.195 0.000 1.119 304 D CA 1.590 55.652 54.000 0.104 0.000 0.845 304 D CB -0.241 40.599 40.800 0.065 0.000 1.182 304 D HN 0.616 nan 8.370 nan 0.000 0.493 305 Y N 0.438 120.736 120.300 -0.004 0.000 2.337 305 Y HA 0.091 4.640 4.550 -0.001 0.000 0.318 305 Y C -1.215 174.656 175.900 -0.049 0.000 1.258 305 Y CA -0.930 57.127 58.100 -0.072 0.000 1.132 305 Y CB 0.984 39.334 38.460 -0.184 0.000 1.307 305 Y HN 0.372 nan 8.280 nan 0.000 0.428 306 E N 6.939 126.889 120.200 -0.418 0.000 1.996 306 E HA 0.227 4.576 4.350 -0.001 0.000 0.280 306 E C -1.669 174.518 176.600 -0.688 0.000 1.092 306 E CA -0.368 55.791 56.400 -0.401 0.000 0.862 306 E CB 0.257 29.821 29.700 -0.228 0.000 1.066 306 E HN 0.426 nan 8.360 nan 0.000 0.396 307 F N 5.477 125.006 119.950 -0.701 0.000 2.391 307 F HA 0.214 4.740 4.527 -0.001 0.000 0.359 307 F C 0.266 175.928 175.800 -0.230 0.000 1.122 307 F CA -0.435 57.284 58.000 -0.468 0.000 1.120 307 F CB 0.139 39.053 39.000 -0.144 0.000 1.142 307 F HN 0.658 nan 8.300 nan 0.000 0.483 308 H N 3.458 122.208 119.070 -0.535 0.000 2.899 308 H HA -0.193 4.362 4.556 -0.001 0.000 0.282 308 H C 1.291 176.454 175.328 -0.275 0.000 1.198 308 H CA 1.133 56.903 56.048 -0.464 0.000 1.140 308 H CB -1.139 28.258 29.762 -0.608 0.000 1.317 308 H HN 1.086 nan 8.280 nan 0.000 0.375 309 G N -1.422 107.273 108.800 -0.174 0.000 2.138 309 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.193 309 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.193 309 G C -0.106 174.743 174.900 -0.085 0.000 0.998 309 G CA 0.058 45.091 45.100 -0.111 0.000 0.668 309 G HN 0.456 nan 8.290 nan 0.000 0.516 310 V N 0.594 120.435 119.914 -0.122 0.000 2.760 310 V HA 0.606 4.725 4.120 -0.001 0.000 0.309 310 V C -0.558 175.444 176.094 -0.154 0.000 1.077 310 V CA -0.961 61.260 62.300 -0.131 0.000 0.910 310 V CB 2.016 33.701 31.823 -0.230 0.000 1.008 310 V HN 0.224 nan 8.190 nan 0.000 0.424 311 Q N 4.403 124.152 119.800 -0.084 0.000 2.400 311 Q HA 0.577 4.916 4.340 -0.001 0.000 0.255 311 Q C -1.329 174.733 176.000 0.104 0.000 1.008 311 Q CA -0.237 55.562 55.803 -0.006 0.000 0.841 311 Q CB 1.550 30.320 28.738 0.054 0.000 1.220 311 Q HN 0.625 nan 8.270 nan 0.000 0.474 312 L N 1.173 122.429 121.223 0.055 0.000 2.329 312 L HA 0.678 5.017 4.340 -0.001 0.000 0.279 312 L C 0.380 177.390 176.870 0.232 0.000 1.014 312 L CA -0.848 54.121 54.840 0.214 0.000 0.814 312 L CB 1.062 43.102 42.059 -0.032 0.000 1.257 312 L HN 0.285 nan 8.230 nan 0.000 0.424 313 K N 2.233 122.819 120.400 0.309 0.000 2.164 313 K HA 0.390 4.709 4.320 -0.001 0.000 0.258 313 K C -0.110 176.570 176.600 0.132 0.000 0.951 313 K CA -0.908 55.449 56.287 0.117 0.000 0.844 313 K CB 1.281 nan 32.500 nan 0.000 1.099 313 K HN 0.666 nan 8.250 nan 0.000 0.435 314 K N 0.307 120.750 120.400 0.071 0.000 2.508 314 K HA -0.160 4.160 4.320 -0.001 0.000 0.262 314 K C 1.245 177.895 176.600 0.084 0.000 1.016 314 K CA 2.280 58.599 56.287 0.055 0.000 1.122 314 K CB -0.524 31.990 32.500 0.024 0.000 0.778 314 K HN 1.480 nan 8.250 nan 0.000 0.469 315 G N 2.980 111.837 108.800 0.095 0.000 2.299 315 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.237 315 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.237 315 G C -0.102 174.909 174.900 0.186 0.000 1.027 315 G CA 0.287 45.458 45.100 0.118 0.000 0.619 315 G HN 0.738 nan 8.290 nan 0.000 0.513 316 D N 1.750 122.319 120.400 0.282 0.000 2.443 316 D HA 0.436 5.076 4.640 -0.001 0.000 0.239 316 D C 0.798 177.341 176.300 0.405 0.000 1.136 316 D CA 0.531 54.798 54.000 0.445 0.000 0.879 316 D CB 0.503 41.683 40.800 0.634 0.000 1.195 316 D HN 0.469 nan 8.370 nan 0.000 0.443 317 Q N 1.060 121.097 119.800 0.394 0.000 2.266 317 Q HA 0.642 4.982 4.340 -0.001 0.000 0.261 317 Q C -0.515 175.726 176.000 0.401 0.000 0.985 317 Q CA -0.786 55.183 55.803 0.277 0.000 0.873 317 Q CB 2.719 31.511 28.738 0.090 0.000 1.306 317 Q HN 0.445 nan 8.270 nan 0.000 0.447 318 I N 2.549 123.294 120.570 0.293 0.000 2.563 318 I HA 0.135 4.304 4.170 -0.001 0.000 0.285 318 I C -1.520 174.642 176.117 0.077 0.000 1.123 318 I CA -0.880 60.594 61.300 0.289 0.000 1.059 318 I CB 1.247 39.403 38.000 0.259 0.000 1.229 318 I HN 0.465 nan 8.210 nan 0.000 0.442 319 L N 8.301 129.573 121.223 0.081 0.000 2.513 319 L HA 0.262 4.601 4.340 -0.001 0.000 0.272 319 L C -0.905 175.941 176.870 -0.041 0.000 1.187 319 L CA 0.724 55.561 54.840 -0.005 0.000 0.895 319 L CB 0.441 42.551 42.059 0.086 0.000 1.147 319 L HN 0.502 nan 8.230 nan 0.000 0.483 320 L N 7.531 128.702 121.223 -0.087 0.000 2.457 320 L HA 0.388 4.728 4.340 -0.001 0.000 0.252 320 L C -2.214 174.691 176.870 0.059 0.000 1.132 320 L CA -1.709 53.040 54.840 -0.151 0.000 0.938 320 L CB 0.924 42.594 42.059 -0.649 0.000 1.246 320 L HN 0.478 nan 8.230 nan 0.000 0.476 321 P HA 0.009 nan 4.420 nan 0.000 0.260 321 P C 0.113 177.398 177.300 -0.025 0.000 1.185 321 P CA 0.217 63.309 63.100 -0.013 0.000 0.763 321 P CB 0.841 32.557 31.700 0.027 0.000 0.776 322 Q N 2.532 122.287 119.800 -0.075 0.000 2.311 322 Q HA -0.028 4.311 4.340 -0.001 0.000 0.203 322 Q C 1.893 177.814 176.000 -0.131 0.000 0.954 322 Q CA 1.070 56.837 55.803 -0.060 0.000 0.885 322 Q CB -0.448 28.216 28.738 -0.124 0.000 0.963 322 Q HN 0.518 nan 8.270 nan 0.000 0.471 323 M N -0.085 119.380 119.600 -0.226 0.000 2.088 323 M HA -0.251 4.228 4.480 -0.001 0.000 0.256 323 M C 1.565 177.750 176.300 -0.191 0.000 1.071 323 M CA 1.677 56.807 55.300 -0.284 0.000 1.097 323 M CB -0.185 32.117 32.600 -0.496 0.000 1.315 323 M HN 0.318 nan 8.290 nan 0.000 0.406 324 L N -0.500 120.643 121.223 -0.133 0.000 2.131 324 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 324 L C 2.350 179.176 176.870 -0.073 0.000 1.092 324 L CA 1.188 55.981 54.840 -0.080 0.000 0.759 324 L CB -0.609 41.419 42.059 -0.050 0.000 0.903 324 L HN 0.354 nan 8.230 nan 0.000 0.435 325 S N 0.080 115.744 115.700 -0.060 0.000 2.399 325 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 325 S C 1.903 176.469 174.600 -0.056 0.000 1.022 325 S CA 1.216 59.382 58.200 -0.058 0.000 0.983 325 S CB -0.489 62.680 63.200 -0.052 0.000 0.803 325 S HN 0.602 nan 8.310 nan 0.000 0.480 326 G N 0.803 109.573 108.800 -0.050 0.000 2.777 326 G HA2 0.174 4.133 3.960 -0.001 0.000 0.211 326 G HA3 0.174 4.133 3.960 -0.001 0.000 0.211 326 G C 1.119 175.971 174.900 -0.079 0.000 1.149 326 G CA -0.159 44.915 45.100 -0.044 0.000 0.785 326 G HN 0.410 nan 8.290 nan 0.000 0.536 327 L N 0.438 121.605 121.223 -0.095 0.000 2.376 327 L HA 0.057 4.396 4.340 -0.001 0.000 0.219 327 L C 0.805 177.632 176.870 -0.073 0.000 1.133 327 L CA 0.205 54.990 54.840 -0.093 0.000 0.816 327 L CB -0.262 41.741 42.059 -0.092 0.000 0.933 327 L HN 0.123 nan 8.230 nan 0.000 0.449 328 D N 1.704 122.063 120.400 -0.069 0.000 2.434 328 D HA -0.092 4.547 4.640 -0.001 0.000 0.252 328 D C 1.347 177.613 176.300 -0.058 0.000 1.185 328 D CA 0.100 54.060 54.000 -0.068 0.000 0.886 328 D CB 1.002 41.759 40.800 -0.073 0.000 1.148 328 D HN 0.228 nan 8.370 nan 0.000 0.483 329 E N 4.304 124.472 120.200 -0.053 0.000 2.511 329 E HA -0.142 4.207 4.350 -0.001 0.000 0.196 329 E C 0.886 177.462 176.600 -0.039 0.000 1.066 329 E CA 0.385 56.760 56.400 -0.041 0.000 0.871 329 E CB -0.081 29.598 29.700 -0.034 0.000 0.863 329 E HN 0.490 nan 8.360 nan 0.000 0.520 330 R N 0.296 120.768 120.500 -0.048 0.000 2.276 330 R HA 0.075 4.414 4.340 -0.001 0.000 0.203 330 R C 1.493 177.767 176.300 -0.043 0.000 1.017 330 R CA 0.665 56.737 56.100 -0.046 0.000 1.010 330 R CB 0.248 30.514 30.300 -0.056 0.000 0.900 330 R HN 0.110 nan 8.270 nan 0.000 0.469 331 E N -0.091 120.081 120.200 -0.046 0.000 2.473 331 E HA 0.152 4.501 4.350 -0.001 0.000 0.204 331 E C -0.488 176.092 176.600 -0.035 0.000 0.994 331 E CA 0.255 56.629 56.400 -0.044 0.000 0.945 331 E CB 0.712 30.380 29.700 -0.054 0.000 0.990 331 E HN 0.230 nan 8.360 nan 0.000 0.493 332 N N 0.287 118.968 118.700 -0.032 0.000 3.429 332 N HA 0.121 4.860 4.740 -0.001 0.000 0.221 332 N C -1.108 174.388 175.510 -0.024 0.000 1.195 332 N CA -0.110 52.925 53.050 -0.025 0.000 0.938 332 N CB 1.491 39.960 38.487 -0.029 0.000 1.609 332 N HN -0.063 nan 8.380 nan 0.000 0.704 333 A N 1.467 124.279 122.820 -0.013 0.000 2.498 333 A HA 0.535 4.854 4.320 -0.001 0.000 0.239 333 A C 1.106 178.695 177.584 0.009 0.000 1.068 333 A CA 0.662 52.697 52.037 -0.004 0.000 0.766 333 A CB -0.093 18.910 19.000 0.004 0.000 1.003 333 A HN 1.457 nan 8.150 nan 0.000 0.497 334 A N 3.123 125.952 122.820 0.015 0.000 2.091 334 A HA -0.069 4.250 4.320 -0.001 0.000 0.270 334 A C -0.869 176.723 177.584 0.013 0.000 1.368 334 A CA 0.562 52.618 52.037 0.033 0.000 0.745 334 A CB -1.398 17.658 19.000 0.093 0.000 1.173 334 A HN 0.706 nan 8.150 nan 0.000 0.322 335 P HA -0.211 nan 4.420 nan 0.000 0.215 335 P C 1.593 178.836 177.300 -0.096 0.000 1.157 335 P CA 1.516 64.578 63.100 -0.064 0.000 0.868 335 P CB -0.119 31.538 31.700 -0.073 0.000 0.788 336 M N -1.588 117.966 119.600 -0.077 0.000 2.358 336 M HA -0.079 4.400 4.480 -0.001 0.000 0.264 336 M C 0.956 177.220 176.300 -0.060 0.000 1.064 336 M CA 0.876 56.116 55.300 -0.099 0.000 1.093 336 M CB -2.208 30.360 32.600 -0.055 0.000 1.401 336 M HN 0.022 nan 8.290 nan 0.000 0.440 337 H N 0.918 119.915 119.070 -0.123 0.000 2.800 337 H HA 0.309 4.864 4.556 -0.001 0.000 0.291 337 H C -0.740 174.494 175.328 -0.158 0.000 1.076 337 H CA -0.772 55.212 56.048 -0.107 0.000 1.452 337 H CB 0.467 30.201 29.762 -0.047 0.000 1.461 337 H HN -0.176 nan 8.280 nan 0.000 0.488 338 V N 6.284 125.998 119.914 -0.334 0.000 2.393 338 V HA -0.016 4.104 4.120 -0.001 0.000 0.257 338 V C 0.386 176.173 176.094 -0.511 0.000 1.040 338 V CA 0.267 62.302 62.300 -0.442 0.000 1.097 338 V CB -0.692 30.696 31.823 -0.725 0.000 1.101 338 V HN 0.761 nan 8.190 nan 0.000 0.479 339 D N 4.195 124.374 120.400 -0.369 0.000 2.471 339 D HA 0.342 4.981 4.640 -0.001 0.000 0.245 339 D C 0.526 176.852 176.300 0.044 0.000 1.116 339 D CA -0.677 53.153 54.000 -0.284 0.000 0.853 339 D CB 1.007 41.635 40.800 -0.287 0.000 1.123 339 D HN 0.155 nan 8.370 nan 0.000 0.540 340 F N 1.762 121.753 119.950 0.068 0.000 2.494 340 F HA -0.034 4.492 4.527 -0.001 0.000 0.298 340 F C 2.220 178.052 175.800 0.052 0.000 1.106 340 F CA 0.799 58.847 58.000 0.080 0.000 1.452 340 F CB -0.788 38.294 39.000 0.136 0.000 1.085 340 F HN 0.443 nan 8.300 nan 0.000 0.569 341 S N -1.169 114.657 115.700 0.210 0.000 2.593 341 S HA 0.168 4.637 4.470 -0.001 0.000 0.236 341 S C 0.859 175.504 174.600 0.076 0.000 0.991 341 S CA -0.719 57.556 58.200 0.125 0.000 0.963 341 S CB 0.044 63.303 63.200 0.099 0.000 0.865 341 S HN 0.237 nan 8.310 nan 0.000 0.488 342 R N 0.773 121.312 120.500 0.065 0.000 2.973 342 R HA 0.028 4.367 4.340 -0.001 0.000 0.277 342 R C 1.082 177.406 176.300 0.041 0.000 1.000 342 R CA 0.679 56.800 56.100 0.034 0.000 1.175 342 R CB 0.317 30.636 30.300 0.031 0.000 1.113 342 R HN 0.255 nan 8.270 nan 0.000 0.495 343 Q N 0.520 120.336 119.800 0.028 0.000 2.481 343 Q HA 0.029 4.368 4.340 -0.001 0.000 0.219 343 Q C -0.140 175.874 176.000 0.022 0.000 0.920 343 Q CA 0.980 56.799 55.803 0.026 0.000 0.915 343 Q CB 0.339 29.089 28.738 0.019 0.000 1.057 343 Q HN 0.461 nan 8.270 nan 0.000 0.581 344 K N 0.697 121.106 120.400 0.014 0.000 2.535 344 K HA 0.345 4.665 4.320 -0.001 0.000 0.253 344 K C -1.173 175.430 176.600 0.006 0.000 0.953 344 K CA -0.311 55.980 56.287 0.007 0.000 0.863 344 K CB 1.608 34.106 32.500 -0.004 0.000 1.111 344 K HN -0.254 nan 8.250 nan 0.000 0.431 345 V N 3.520 123.448 119.914 0.023 0.000 2.381 345 V HA 0.143 4.263 4.120 -0.001 0.000 0.257 345 V C 0.144 176.236 176.094 -0.002 0.000 1.057 345 V CA -0.418 61.908 62.300 0.043 0.000 1.013 345 V CB 0.338 32.224 31.823 0.105 0.000 1.069 345 V HN 0.824 nan 8.190 nan 0.000 0.484 346 S N 5.006 120.691 115.700 -0.025 0.000 2.480 346 S HA 0.683 5.152 4.470 -0.001 0.000 0.286 346 S C -0.558 174.008 174.600 -0.056 0.000 1.180 346 S CA -0.476 57.669 58.200 -0.092 0.000 1.075 346 S CB 0.346 63.505 63.200 -0.067 0.000 0.996 346 S HN 1.115 nan 8.310 nan 0.000 0.487 347 H N 0.038 119.091 119.070 -0.028 0.000 3.042 347 H HA 0.483 5.039 4.556 -0.001 0.000 0.346 347 H C -0.543 174.770 175.328 -0.025 0.000 1.294 347 H CA -0.491 55.527 56.048 -0.050 0.000 1.141 347 H CB 0.608 30.326 29.762 -0.073 0.000 1.872 347 H HN 0.353 nan 8.280 nan 0.000 0.541 348 T N -0.758 113.872 114.554 0.128 0.000 3.256 348 T HA 0.197 4.546 4.350 -0.001 0.000 0.249 348 T C 0.311 175.050 174.700 0.066 0.000 0.975 348 T CA 0.010 62.183 62.100 0.122 0.000 1.011 348 T CB -0.426 68.464 68.868 0.037 0.000 1.127 348 T HN 0.639 nan 8.240 nan 0.000 0.543 349 T N 0.850 115.459 114.554 0.091 0.000 2.896 349 T HA 0.137 4.486 4.350 -0.001 0.000 0.263 349 T C 0.696 175.144 174.700 -0.421 0.000 1.050 349 T CA 0.848 62.760 62.100 -0.315 0.000 1.140 349 T CB -0.313 68.149 68.868 -0.678 0.000 0.877 349 T HN 0.489 nan 8.240 nan 0.000 0.457 350 F N 1.375 121.275 119.950 -0.084 0.000 2.811 350 F HA 0.398 4.924 4.527 -0.001 0.000 0.301 350 F C 1.665 177.412 175.800 -0.087 0.000 1.151 350 F CA 0.152 58.095 58.000 -0.094 0.000 1.412 350 F CB -0.452 38.500 39.000 -0.079 0.000 1.113 350 F HN 0.304 nan 8.300 nan 0.000 0.579 351 G N -0.492 108.329 108.800 0.035 0.000 2.566 351 G HA2 0.034 3.994 3.960 -0.001 0.000 0.599 351 G HA3 0.034 3.994 3.960 -0.001 0.000 0.599 351 G C -1.611 173.285 174.900 -0.006 0.000 1.292 351 G CA -0.717 44.323 45.100 -0.100 0.000 0.922 351 G HN 0.474 nan 8.290 nan 0.000 0.514 352 H N -1.106 117.831 119.070 -0.220 0.000 3.094 352 H HA 0.683 5.238 4.556 -0.001 0.000 0.346 352 H C 0.463 175.787 175.328 -0.007 0.000 1.238 352 H CA 1.800 57.812 56.048 -0.059 0.000 1.209 352 H CB 1.387 31.162 29.762 0.020 0.000 1.911 352 H HN 2.723 nan 8.280 nan 0.000 0.540 353 G N 0.979 109.583 108.800 -0.327 0.000 2.681 353 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 353 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 353 G C 1.192 176.101 174.900 0.015 0.000 1.353 353 G CA 0.503 45.572 45.100 -0.053 0.000 0.872 353 G HN 1.475 nan 8.290 nan 0.000 0.557 354 S N -1.211 114.553 115.700 0.107 0.000 2.423 354 S HA -0.199 4.271 4.470 -0.001 0.000 0.238 354 S C 1.318 175.898 174.600 -0.034 0.000 1.028 354 S CA 2.215 60.424 58.200 0.014 0.000 1.000 354 S CB -0.390 62.773 63.200 -0.062 0.000 0.797 354 S HN 0.828 nan 8.310 nan 0.000 0.487 355 H N 0.236 119.315 119.070 0.015 0.000 2.505 355 H HA 0.348 4.903 4.556 -0.001 0.000 0.286 355 H C -0.045 175.278 175.328 -0.009 0.000 1.072 355 H CA -0.783 55.278 56.048 0.022 0.000 1.141 355 H CB -0.060 29.737 29.762 0.057 0.000 1.550 355 H HN 0.245 nan 8.280 nan 0.000 0.547 356 L N 1.918 123.175 121.223 0.057 0.000 2.954 356 L HA -0.201 4.138 4.340 -0.001 0.000 0.316 356 L C 0.538 177.413 176.870 0.010 0.000 1.192 356 L CA 0.484 55.333 54.840 0.014 0.000 0.863 356 L CB -0.274 41.771 42.059 -0.024 0.000 1.198 356 L HN 0.408 nan 8.230 nan 0.000 0.519 357 C N 6.473 125.793 119.300 0.034 0.000 2.592 357 C HA 0.041 4.500 4.460 -0.001 0.000 0.408 357 C C 1.981 176.920 174.990 -0.084 0.000 1.436 357 C CA -0.475 58.571 59.018 0.047 0.000 1.595 357 C CB -1.286 26.604 27.740 0.251 0.000 2.487 357 C HN 0.817 nan 8.230 nan 0.000 0.610 358 L N 5.238 126.443 121.223 -0.029 0.000 2.313 358 L HA 0.085 4.424 4.340 -0.001 0.000 0.214 358 L C 2.542 179.351 176.870 -0.103 0.000 1.119 358 L CA 1.206 56.010 54.840 -0.059 0.000 0.809 358 L CB -0.791 41.274 42.059 0.009 0.000 0.933 358 L HN 0.982 nan 8.230 nan 0.000 0.449 359 G N 0.561 109.319 108.800 -0.071 0.000 2.501 359 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.220 359 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.220 359 G C 1.515 176.297 174.900 -0.197 0.000 1.114 359 G CA 0.655 45.722 45.100 -0.056 0.000 0.757 359 G HN 0.619 nan 8.290 nan 0.000 0.559 360 Q N -0.223 119.255 119.800 -0.536 0.000 2.226 360 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 360 Q C 1.829 177.397 176.000 -0.720 0.000 0.975 360 Q CA 1.329 56.473 55.803 -1.097 0.000 0.866 360 Q CB -0.488 27.157 28.738 -1.821 0.000 0.915 360 Q HN 0.604 nan 8.270 nan 0.000 0.440 361 H N -0.177 118.729 119.070 -0.273 0.000 2.512 361 H HA 0.028 4.583 4.556 -0.001 0.000 0.279 361 H C 1.970 177.260 175.328 -0.063 0.000 0.999 361 H CA 0.830 56.785 56.048 -0.155 0.000 1.283 361 H CB 0.213 29.908 29.762 -0.112 0.000 1.421 361 H HN 0.249 nan 8.280 nan 0.000 0.554 362 L N 1.236 122.495 121.223 0.061 0.000 2.007 362 L HA 0.023 4.363 4.340 -0.001 0.000 0.205 362 L C 2.641 179.555 176.870 0.073 0.000 1.073 362 L CA 1.574 56.451 54.840 0.062 0.000 0.744 362 L CB -0.815 41.273 42.059 0.049 0.000 0.898 362 L HN 0.155 nan 8.230 nan 0.000 0.435 363 A N 0.108 122.969 122.820 0.068 0.000 1.870 363 A HA -0.356 3.963 4.320 -0.001 0.000 0.219 363 A C 2.364 180.055 177.584 0.178 0.000 1.286 363 A CA 2.703 54.829 52.037 0.149 0.000 0.682 363 A CB -1.039 18.106 19.000 0.241 0.000 0.844 363 A HN 0.512 nan 8.150 nan 0.000 0.460 364 R N -1.454 119.135 120.500 0.148 0.000 2.140 364 R HA -0.235 4.104 4.340 -0.001 0.000 0.250 364 R C 2.415 178.813 176.300 0.163 0.000 1.150 364 R CA 1.939 58.129 56.100 0.151 0.000 0.966 364 R CB -0.421 29.930 30.300 0.085 0.000 0.869 364 R HN 0.508 nan 8.270 nan 0.000 0.445 365 R N 1.406 121.997 120.500 0.151 0.000 2.091 365 R HA -0.137 4.202 4.340 -0.001 0.000 0.238 365 R C 1.851 178.310 176.300 0.265 0.000 1.136 365 R CA 1.795 57.998 56.100 0.172 0.000 0.959 365 R CB -0.192 30.189 30.300 0.135 0.000 0.856 365 R HN 0.375 nan 8.270 nan 0.000 0.437 366 E N -0.490 119.879 120.200 0.282 0.000 2.204 366 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 366 E C 1.574 178.492 176.600 0.530 0.000 0.989 366 E CA 0.778 57.491 56.400 0.522 0.000 0.824 366 E CB -0.025 29.848 29.700 0.288 0.000 0.756 366 E HN 0.244 nan 8.360 nan 0.000 0.477 367 I N 0.910 121.695 120.570 0.357 0.000 2.315 367 I HA -0.162 4.007 4.170 -0.001 0.000 0.233 367 I C 2.438 178.698 176.117 0.239 0.000 1.067 367 I CA 0.946 62.445 61.300 0.331 0.000 1.376 367 I CB -1.050 37.150 38.000 0.333 0.000 1.143 367 I HN 0.077 nan 8.210 nan 0.000 0.421 368 I N 0.338 121.019 120.570 0.184 0.000 2.185 368 I HA -0.321 3.848 4.170 -0.001 0.000 0.246 368 I C 2.602 178.787 176.117 0.114 0.000 1.088 368 I CA 1.138 62.514 61.300 0.127 0.000 1.347 368 I CB -0.739 37.324 38.000 0.105 0.000 1.041 368 I HN 0.011 nan 8.210 nan 0.000 0.415 369 V N 0.787 120.787 119.914 0.143 0.000 2.215 369 V HA -0.364 3.755 4.120 -0.001 0.000 0.246 369 V C 2.560 178.690 176.094 0.060 0.000 1.047 369 V CA 2.862 65.238 62.300 0.126 0.000 0.999 369 V CB -1.102 30.869 31.823 0.247 0.000 0.635 369 V HN 0.504 nan 8.190 nan 0.000 0.450 370 T N 0.833 115.414 114.554 0.045 0.000 2.624 370 T HA -0.305 4.044 4.350 -0.001 0.000 0.266 370 T C 1.748 176.455 174.700 0.012 0.000 1.050 370 T CA 2.424 64.518 62.100 -0.011 0.000 1.163 370 T CB -0.546 68.382 68.868 0.100 0.000 0.861 370 T HN 0.325 nan 8.240 nan 0.000 0.443 371 L N 0.457 121.708 121.223 0.048 0.000 2.005 371 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 371 L C 2.668 179.577 176.870 0.065 0.000 1.072 371 L CA 1.441 56.306 54.840 0.042 0.000 0.744 371 L CB -0.559 41.526 42.059 0.043 0.000 0.895 371 L HN 0.161 nan 8.230 nan 0.000 0.433 372 K N 0.222 120.657 120.400 0.058 0.000 2.015 372 K HA -0.238 4.081 4.320 -0.001 0.000 0.216 372 K C 2.082 178.708 176.600 0.043 0.000 1.052 372 K CA 1.839 58.157 56.287 0.051 0.000 0.937 372 K CB 0.004 32.532 32.500 0.046 0.000 0.719 372 K HN 0.153 nan 8.250 nan 0.000 0.446 373 E N -0.538 119.681 120.200 0.032 0.000 2.268 373 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 373 E C 1.552 178.145 176.600 -0.012 0.000 0.995 373 E CA 0.648 57.051 56.400 0.005 0.000 0.836 373 E CB -0.120 29.572 29.700 -0.013 0.000 0.763 373 E HN 0.586 nan 8.360 nan 0.000 0.491 374 W N 0.503 121.682 121.300 -0.201 0.000 2.683 374 W HA 0.088 4.747 4.660 -0.002 0.000 0.267 374 W C 1.276 177.672 176.519 -0.205 0.000 1.243 374 W CA 0.303 57.479 57.345 -0.283 0.000 1.380 374 W CB -0.057 29.151 29.460 -0.419 0.000 1.063 374 W HN -0.025 nan 8.180 nan 0.000 0.599 375 L N 0.547 121.874 121.223 0.174 0.000 2.418 375 L HA -0.051 4.289 4.340 -0.001 0.000 0.218 375 L C 2.304 179.176 176.870 0.004 0.000 1.125 375 L CA 0.951 55.869 54.840 0.131 0.000 0.835 375 L CB -0.941 41.230 42.059 0.188 0.000 0.953 375 L HN -0.246 nan 8.230 nan 0.000 0.454 376 T N -0.138 114.406 114.554 -0.016 0.000 2.684 376 T HA -0.202 4.147 4.350 -0.001 0.000 0.267 376 T C 2.089 176.728 174.700 -0.103 0.000 1.036 376 T CA 1.660 63.733 62.100 -0.045 0.000 1.148 376 T CB -0.030 68.822 68.868 -0.027 0.000 0.863 376 T HN 0.292 nan 8.240 nan 0.000 0.436 377 R N -0.915 119.464 120.500 -0.201 0.000 2.279 377 R HA 0.323 4.662 4.340 -0.001 0.000 0.195 377 R C -0.472 175.605 176.300 -0.371 0.000 0.905 377 R CA 0.273 56.225 56.100 -0.246 0.000 1.044 377 R CB 0.738 30.861 30.300 -0.295 0.000 1.056 377 R HN 0.207 nan 8.270 nan 0.000 0.535 378 I N 0.764 121.009 120.570 -0.542 0.000 2.787 378 I HA 0.204 4.373 4.170 -0.001 0.000 0.275 378 I C -2.311 173.611 176.117 -0.325 0.000 1.371 378 I CA -1.618 59.265 61.300 -0.696 0.000 0.949 378 I CB 2.137 39.247 38.000 -1.483 0.000 1.407 378 I HN -0.209 nan 8.210 nan 0.000 0.557 379 P HA 0.106 nan 4.420 nan 0.000 0.245 379 P C -0.252 177.173 177.300 0.209 0.000 1.212 379 P CA 0.765 63.932 63.100 0.112 0.000 0.774 379 P CB 0.226 31.951 31.700 0.042 0.000 0.999 380 D N -0.129 120.470 120.400 0.331 0.000 2.351 380 D HA 0.328 4.967 4.640 -0.001 0.000 0.235 380 D C -1.315 175.124 176.300 0.233 0.000 1.331 380 D CA -0.428 53.660 54.000 0.148 0.000 0.959 380 D CB 0.283 41.135 40.800 0.086 0.000 1.432 380 D HN -0.122 nan 8.370 nan 0.000 0.544 381 F N 0.292 120.276 119.950 0.056 0.000 2.770 381 F HA 0.789 5.315 4.527 -0.001 0.000 0.313 381 F C -1.070 174.785 175.800 0.093 0.000 1.154 381 F CA -0.980 57.094 58.000 0.123 0.000 0.923 381 F CB 0.977 40.035 39.000 0.097 0.000 1.301 381 F HN -0.001 nan 8.300 nan 0.000 0.449 382 S N 0.539 116.339 115.700 0.167 0.000 2.656 382 S HA 0.761 5.231 4.470 -0.001 0.000 0.273 382 S C -1.497 173.178 174.600 0.125 0.000 1.168 382 S CA -0.892 57.305 58.200 -0.006 0.000 0.817 382 S CB 1.351 64.561 63.200 0.016 0.000 1.146 382 S HN 0.789 nan 8.310 nan 0.000 0.475 383 I N 2.620 123.222 120.570 0.055 0.000 2.474 383 I HA 0.414 4.583 4.170 -0.001 0.000 0.287 383 I C 0.981 177.152 176.117 0.089 0.000 1.048 383 I CA -0.550 60.800 61.300 0.083 0.000 1.383 383 I CB 1.183 39.208 38.000 0.041 0.000 1.412 383 I HN 0.818 nan 8.210 nan 0.000 0.531 384 A N 8.159 131.043 122.820 0.107 0.000 2.540 384 A HA 0.206 4.525 4.320 -0.001 0.000 0.239 384 A C -2.166 175.451 177.584 0.054 0.000 1.061 384 A CA -0.798 51.289 52.037 0.084 0.000 0.758 384 A CB -0.786 18.262 19.000 0.081 0.000 0.991 384 A HN 0.486 nan 8.150 nan 0.000 0.502 385 P HA 0.114 nan 4.420 nan 0.000 0.261 385 P C 1.108 178.424 177.300 0.027 0.000 1.158 385 P CA 2.249 65.366 63.100 0.028 0.000 0.758 385 P CB 0.327 32.041 31.700 0.022 0.000 0.763 386 G N 1.723 110.537 108.800 0.023 0.000 2.162 386 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.260 386 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.260 386 G C 0.329 175.245 174.900 0.027 0.000 0.976 386 G CA 0.007 45.120 45.100 0.022 0.000 0.655 386 G HN 0.866 nan 8.290 nan 0.000 0.533 387 A N -0.222 122.617 122.820 0.033 0.000 2.325 387 A HA 0.789 5.108 4.320 -0.001 0.000 0.333 387 A C 0.101 177.709 177.584 0.040 0.000 1.155 387 A CA -0.415 51.645 52.037 0.039 0.000 0.814 387 A CB 0.794 19.823 19.000 0.048 0.000 1.206 387 A HN 0.482 nan 8.150 nan 0.000 0.482 388 Q N 2.411 122.236 119.800 0.042 0.000 2.368 388 Q HA 0.455 4.795 4.340 -0.001 0.000 0.263 388 Q C -0.892 175.143 176.000 0.058 0.000 1.009 388 Q CA -0.218 55.610 55.803 0.041 0.000 0.818 388 Q CB 1.482 30.241 28.738 0.035 0.000 1.239 388 Q HN 0.682 nan 8.270 nan 0.000 0.464 389 I N 1.729 122.337 120.570 0.064 0.000 2.638 389 I HA 0.057 4.226 4.170 -0.001 0.000 0.286 389 I C 0.344 176.525 176.117 0.107 0.000 1.088 389 I CA -0.109 61.253 61.300 0.102 0.000 1.397 389 I CB 0.535 38.614 38.000 0.132 0.000 1.414 389 I HN 0.429 nan 8.210 nan 0.000 0.566 390 Q N 4.376 124.272 119.800 0.160 0.000 2.322 390 Q HA 0.373 4.712 4.340 -0.001 0.000 0.265 390 Q C -0.965 175.275 176.000 0.400 0.000 0.985 390 Q CA -0.604 55.326 55.803 0.212 0.000 0.849 390 Q CB 1.771 30.591 28.738 0.136 0.000 1.274 390 Q HN 0.568 nan 8.270 nan 0.000 0.449 391 H N 1.698 120.839 119.070 0.118 0.000 2.582 391 H HA 0.251 4.806 4.556 -0.001 0.000 0.345 391 H C -0.301 175.114 175.328 0.145 0.000 1.104 391 H CA -0.525 55.620 56.048 0.162 0.000 1.390 391 H CB 0.931 30.846 29.762 0.255 0.000 1.461 391 H HN 0.118 nan 8.280 nan 0.000 0.551 392 K N 1.214 121.746 120.400 0.220 0.000 2.166 392 K HA 0.317 4.637 4.320 -0.001 0.000 0.245 392 K C -0.196 176.551 176.600 0.245 0.000 0.967 392 K CA -0.741 55.663 56.287 0.195 0.000 0.863 392 K CB 2.243 34.824 32.500 0.136 0.000 1.107 392 K HN 0.503 nan 8.250 nan 0.000 0.436 393 S N -0.386 115.472 115.700 0.263 0.000 2.503 393 S HA 0.868 5.337 4.470 -0.001 0.000 0.301 393 S C -0.340 174.441 174.600 0.301 0.000 1.087 393 S CA -0.136 58.262 58.200 0.329 0.000 1.042 393 S CB 0.998 64.456 63.200 0.430 0.000 1.043 393 S HN 0.735 nan 8.310 nan 0.000 0.489 394 G N 2.494 111.441 108.800 0.246 0.000 2.490 394 G HA2 0.376 4.335 3.960 -0.001 0.000 0.308 394 G HA3 0.376 4.335 3.960 -0.001 0.000 0.308 394 G C -0.099 174.837 174.900 0.060 0.000 1.286 394 G CA -0.497 44.747 45.100 0.239 0.000 0.825 394 G HN 0.575 nan 8.290 nan 0.000 0.479 395 I N -0.422 120.175 120.570 0.045 0.000 2.530 395 I HA 0.053 4.222 4.170 -0.001 0.000 0.257 395 I C 0.722 176.778 176.117 -0.101 0.000 1.179 395 I CA 1.037 62.249 61.300 -0.146 0.000 1.440 395 I CB -0.613 37.221 38.000 -0.276 0.000 1.087 395 I HN 0.106 nan 8.210 nan 0.000 0.440 396 V N -0.380 119.534 119.914 0.001 0.000 2.668 396 V HA 0.352 4.472 4.120 -0.001 0.000 0.304 396 V C -0.113 176.008 176.094 0.045 0.000 1.071 396 V CA -0.716 61.580 62.300 -0.006 0.000 0.894 396 V CB 1.960 33.800 31.823 0.027 0.000 1.008 396 V HN 0.026 nan 8.190 nan 0.000 0.425 397 S N 2.059 117.780 115.700 0.036 0.000 2.693 397 S HA 0.948 5.417 4.470 -0.001 0.000 0.276 397 S C 0.355 175.079 174.600 0.207 0.000 1.192 397 S CA 0.149 58.429 58.200 0.134 0.000 0.994 397 S CB 1.800 65.070 63.200 0.115 0.000 1.012 397 S HN 1.281 nan 8.310 nan 0.000 0.550 398 G N -0.661 108.244 108.800 0.174 0.000 2.488 398 G HA2 0.486 4.445 3.960 -0.001 0.000 0.301 398 G HA3 0.486 4.445 3.960 -0.001 0.000 0.301 398 G C -2.031 172.671 174.900 -0.329 0.000 1.339 398 G CA -0.545 44.463 45.100 -0.152 0.000 0.803 398 G HN 0.622 nan 8.290 nan 0.000 0.482 399 V N 0.988 120.647 119.914 -0.424 0.000 2.384 399 V HA 0.333 4.452 4.120 -0.001 0.000 0.287 399 V C 1.354 177.393 176.094 -0.091 0.000 1.020 399 V CA -0.178 61.911 62.300 -0.351 0.000 0.850 399 V CB 1.301 32.843 31.823 -0.468 0.000 0.987 399 V HN 0.956 nan 8.190 nan 0.000 0.436 400 Q N 3.871 123.684 119.800 0.022 0.000 2.364 400 Q HA 0.160 4.500 4.340 -0.001 0.000 0.209 400 Q C 0.516 176.539 176.000 0.038 0.000 0.977 400 Q CA 1.315 57.142 55.803 0.039 0.000 0.885 400 Q CB 0.310 29.088 28.738 0.067 0.000 0.941 400 Q HN 0.987 nan 8.270 nan 0.000 0.464 401 A N -0.293 122.551 122.820 0.039 0.000 2.592 401 A HA 0.368 4.687 4.320 -0.001 0.000 0.300 401 A C -1.902 175.716 177.584 0.058 0.000 0.994 401 A CA -0.737 51.331 52.037 0.050 0.000 0.707 401 A CB 0.332 19.369 19.000 0.062 0.000 1.273 401 A HN 0.205 nan 8.150 nan 0.000 0.413 402 L N 2.578 123.849 121.223 0.081 0.000 2.589 402 L HA 0.500 4.839 4.340 -0.001 0.000 0.244 402 L C -2.388 174.567 176.870 0.141 0.000 1.159 402 L CA -1.547 53.347 54.840 0.091 0.000 1.074 402 L CB 0.593 42.658 42.059 0.011 0.000 1.391 402 L HN 0.386 nan 8.230 nan 0.000 0.423 403 P HA 0.199 nan 4.420 nan 0.000 0.276 403 P C -0.928 176.482 177.300 0.183 0.000 1.253 403 P CA 0.181 63.371 63.100 0.151 0.000 0.766 403 P CB 0.678 32.443 31.700 0.108 0.000 0.845 404 L N 3.605 124.997 121.223 0.281 0.000 2.334 404 L HA 0.797 5.136 4.340 -0.001 0.000 0.270 404 L C 0.215 177.341 176.870 0.427 0.000 1.018 404 L CA -1.109 53.977 54.840 0.409 0.000 0.811 404 L CB 1.689 44.072 42.059 0.541 0.000 1.271 404 L HN 0.169 nan 8.230 nan 0.000 0.443 405 V N -1.739 118.481 119.914 0.510 0.000 3.087 405 V HA 0.735 4.854 4.120 -0.001 0.000 0.306 405 V C -1.482 174.939 176.094 0.545 0.000 1.187 405 V CA -0.817 61.663 62.300 0.301 0.000 0.999 405 V CB 1.403 33.308 31.823 0.137 0.000 1.049 405 V HN 1.015 nan 8.190 nan 0.000 0.431 406 W N -0.211 121.151 121.300 0.104 0.000 2.895 406 W HA 0.691 5.350 4.660 -0.002 0.000 0.377 406 W C -1.467 175.084 176.519 0.054 0.000 1.191 406 W CA -0.624 56.780 57.345 0.098 0.000 1.179 406 W CB 0.819 30.365 29.460 0.144 0.000 1.469 406 W HN 0.577 nan 8.180 nan 0.000 0.577 407 D N 2.699 123.266 120.400 0.279 0.000 2.374 407 D HA 0.209 4.848 4.640 -0.001 0.000 0.240 407 D C -0.980 175.459 176.300 0.231 0.000 1.229 407 D CA -2.202 51.892 54.000 0.156 0.000 0.895 407 D CB 1.273 42.127 40.800 0.091 0.000 1.046 407 D HN 0.058 nan 8.370 nan 0.000 0.498 408 P HA -0.222 nan 4.420 nan 0.000 0.216 408 P C 1.135 178.499 177.300 0.107 0.000 1.154 408 P CA 1.398 64.593 63.100 0.159 0.000 0.865 408 P CB 0.038 31.758 31.700 0.032 0.000 0.789 409 A N -0.249 122.609 122.820 0.063 0.000 2.093 409 A HA -0.212 4.107 4.320 -0.001 0.000 0.222 409 A C 2.202 179.815 177.584 0.049 0.000 1.162 409 A CA 2.470 54.534 52.037 0.046 0.000 0.655 409 A CB -1.885 17.134 19.000 0.031 0.000 0.805 409 A HN 0.428 nan 8.150 nan 0.000 0.461 410 T N -1.890 112.709 114.554 0.074 0.000 3.107 410 T HA 0.138 4.487 4.350 -0.001 0.000 0.249 410 T C 0.822 175.546 174.700 0.041 0.000 1.096 410 T CA 0.848 62.984 62.100 0.061 0.000 1.012 410 T CB -0.945 67.971 68.868 0.080 0.000 0.977 410 T HN 0.565 nan 8.240 nan 0.000 0.527 411 T N -0.077 114.503 114.554 0.043 0.000 2.913 411 T HA 0.457 4.806 4.350 -0.001 0.000 0.287 411 T C -0.513 174.168 174.700 -0.033 0.000 1.008 411 T CA -0.914 61.175 62.100 -0.018 0.000 1.067 411 T CB 1.616 70.487 68.868 0.005 0.000 0.996 411 T HN 0.314 nan 8.240 nan 0.000 0.513 412 K N 1.227 121.583 120.400 -0.073 0.000 2.502 412 K HA 0.575 4.894 4.320 -0.001 0.000 0.254 412 K C -0.728 175.834 176.600 -0.063 0.000 0.947 412 K CA -0.861 55.393 56.287 -0.056 0.000 0.834 412 K CB 1.542 34.014 32.500 -0.047 0.000 1.112 412 K HN 0.875 nan 8.250 nan 0.000 0.427 413 A N 4.106 126.902 122.820 -0.039 0.000 2.409 413 A HA 0.344 4.663 4.320 -0.001 0.000 0.267 413 A C -0.074 177.492 177.584 -0.030 0.000 1.127 413 A CA -0.469 51.548 52.037 -0.034 0.000 0.795 413 A CB 0.581 19.569 19.000 -0.019 0.000 1.061 413 A HN 0.518 nan 8.150 nan 0.000 0.502 414 V N 0.000 119.895 119.914 -0.031 0.000 2.409 414 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 414 V CA 0.000 62.288 62.300 -0.019 0.000 1.235 414 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556