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 1qo7_1_A DATA FIRST_RESID 3 DATA SEQUENCE KAFAKFPSSA SISPNPFTVS IPDEQLDDLK TLVRLSKIAP PTYESLQADG DATA SEQUENCE RFGITSEWLT TMREKWLSEF DWRPFEARLN SFPQFTTEIE GLTIHFAALF DATA SEQUENCE SEREDAVPIA LLHGWPGSFV EFYPILQLFR EEYTPETLPF HLVVPSLPGY DATA SEQUENCE TFSSGPPLDK DFGLMDNARV VDQLMKDLGF GSGYIIQGGD IGSFVGRLLG DATA SEQUENCE VGFDACKAVH LNLCAMRAPP EGPSIESLSA AEKEGIARME KFMTDGLAYA DATA SEQUENCE MEHSTRPSTI GHVLSSSPIA LLAWIGEKYL QWVDKPLPSE TILEMVSLYW DATA SEQUENCE LTESFPRAIH TYRETTPXXX XXXXXXMLQK ELYIHKPFGF SFFPKDLCPV DATA SEQUENCE PRSWIATTGN LVFFRDHAEG GHFAALERPR ELKTDLTAFV EQVW 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.667 176.600 0.112 0.000 0.988 3 K CA 0.000 56.335 56.287 0.079 0.000 0.838 3 K CB 0.000 32.528 32.500 0.046 0.000 1.064 4 A N 0.867 123.748 122.820 0.102 0.000 2.477 4 A HA 0.454 4.774 4.320 -0.001 0.000 0.246 4 A C 0.277 178.018 177.584 0.263 0.000 1.078 4 A CA 0.585 52.646 52.037 0.041 0.000 0.770 4 A CB -0.660 18.341 19.000 0.002 0.000 1.011 4 A HN 0.368 nan 8.150 nan 0.000 0.494 5 F N -0.610 119.451 119.950 0.185 0.000 2.914 5 F HA -0.319 4.208 4.527 -0.001 0.000 0.304 5 F C 1.568 177.606 175.800 0.396 0.000 0.712 5 F CA 0.989 59.143 58.000 0.257 0.000 1.211 5 F CB -1.648 37.476 39.000 0.207 0.000 1.515 5 F HN 0.707 nan 8.300 nan 0.000 0.350 6 A N -0.627 122.501 122.820 0.513 0.000 2.267 6 A HA 0.151 4.470 4.320 -0.001 0.000 0.213 6 A C 1.137 179.081 177.584 0.600 0.000 1.192 6 A CA 0.073 52.504 52.037 0.657 0.000 0.851 6 A CB 0.065 19.344 19.000 0.466 0.000 0.881 6 A HN 0.249 nan 8.150 nan 0.000 0.494 7 K N 0.875 121.509 120.400 0.391 0.000 2.339 7 K HA 0.306 4.626 4.320 -0.001 0.000 0.286 7 K C -1.044 175.621 176.600 0.110 0.000 1.050 7 K CA -0.522 55.883 56.287 0.197 0.000 0.956 7 K CB 0.104 32.676 32.500 0.119 0.000 0.990 7 K HN 0.098 nan 8.250 nan 0.000 0.475 8 F N 4.854 124.585 119.950 -0.366 0.000 2.506 8 F HA 0.156 4.683 4.527 -0.001 0.000 0.351 8 F C -1.498 173.994 175.800 -0.513 0.000 1.136 8 F CA -2.217 55.338 58.000 -0.742 0.000 1.298 8 F CB -0.258 38.403 39.000 -0.566 0.000 1.145 8 F HN 0.514 nan 8.300 nan 0.000 0.593 9 P HA 0.012 nan 4.420 nan 0.000 0.268 9 P C 0.605 177.816 177.300 -0.149 0.000 1.208 9 P CA 0.218 63.162 63.100 -0.260 0.000 0.777 9 P CB 0.432 31.901 31.700 -0.385 0.000 0.875 10 S N 0.108 115.778 115.700 -0.050 0.000 2.419 10 S HA -0.161 4.308 4.470 -0.001 0.000 0.235 10 S C 1.538 176.106 174.600 -0.053 0.000 1.019 10 S CA 1.455 59.636 58.200 -0.032 0.000 0.982 10 S CB -1.178 62.026 63.200 0.007 0.000 0.789 10 S HN 0.527 nan 8.310 nan 0.000 0.490 11 S N 1.211 116.864 115.700 -0.079 0.000 2.593 11 S HA 0.571 5.040 4.470 -0.001 0.000 0.217 11 S C 0.747 175.251 174.600 -0.161 0.000 0.966 11 S CA -0.082 58.066 58.200 -0.088 0.000 0.914 11 S CB -0.475 62.695 63.200 -0.049 0.000 0.776 11 S HN 0.753 nan 8.310 nan 0.000 0.523 12 A N 2.139 124.821 122.820 -0.230 0.000 2.511 12 A HA 0.477 4.796 4.320 -0.001 0.000 0.242 12 A C 1.278 178.782 177.584 -0.132 0.000 1.069 12 A CA 0.145 52.017 52.037 -0.276 0.000 0.763 12 A CB 0.179 18.991 19.000 -0.313 0.000 1.001 12 A HN 0.655 nan 8.150 nan 0.000 0.498 13 S N 1.695 117.320 115.700 -0.124 0.000 2.511 13 S HA 0.200 4.670 4.470 -0.001 0.000 0.214 13 S C 0.622 175.209 174.600 -0.022 0.000 0.997 13 S CA 0.375 58.538 58.200 -0.061 0.000 0.908 13 S CB -0.767 62.398 63.200 -0.059 0.000 0.803 13 S HN 0.823 nan 8.310 nan 0.000 0.504 14 I N -0.470 120.097 120.570 -0.005 0.000 2.783 14 I HA 0.664 4.834 4.170 -0.001 0.000 0.312 14 I C 0.074 176.273 176.117 0.136 0.000 0.988 14 I CA -0.990 60.349 61.300 0.066 0.000 1.182 14 I CB 1.575 39.624 38.000 0.082 0.000 1.368 14 I HN 0.001 nan 8.210 nan 0.000 0.511 15 S N 3.584 119.342 115.700 0.095 0.000 2.562 15 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 15 S C -2.305 172.276 174.600 -0.032 0.000 1.281 15 S CA -1.405 56.801 58.200 0.009 0.000 1.045 15 S CB 0.586 63.786 63.200 0.000 0.000 0.962 15 S HN 0.598 nan 8.310 nan 0.000 0.503 16 P HA 0.236 nan 4.420 nan 0.000 0.276 16 P C -1.261 176.010 177.300 -0.048 0.000 1.243 16 P CA -0.428 62.317 63.100 -0.592 0.000 0.768 16 P CB 0.287 31.314 31.700 -1.123 0.000 0.856 17 N N 4.363 123.185 118.700 0.202 0.000 2.800 17 N HA 0.254 4.994 4.740 -0.001 0.000 0.240 17 N C -2.576 173.092 175.510 0.262 0.000 1.096 17 N CA -1.413 51.755 53.050 0.198 0.000 0.877 17 N CB 0.789 39.387 38.487 0.184 0.000 1.138 17 N HN 0.231 nan 8.380 nan 0.000 0.509 18 P HA -0.003 nan 4.420 nan 0.000 0.264 18 P C -0.732 176.553 177.300 -0.025 0.000 1.183 18 P CA 0.308 63.359 63.100 -0.082 0.000 0.763 18 P CB 0.278 31.919 31.700 -0.097 0.000 0.807 19 F N 2.764 122.545 119.950 -0.283 0.000 2.532 19 F HA 0.607 5.134 4.527 -0.001 0.000 0.321 19 F C -0.644 175.036 175.800 -0.201 0.000 1.089 19 F CA -0.056 57.832 58.000 -0.186 0.000 0.926 19 F CB 1.698 40.612 39.000 -0.142 0.000 1.168 19 F HN 0.118 nan 8.300 nan 0.000 0.459 20 T N 4.583 118.494 114.554 -1.071 0.000 2.916 20 T HA 0.432 4.781 4.350 -0.001 0.000 0.298 20 T C -1.216 172.857 174.700 -1.046 0.000 1.031 20 T CA -0.606 61.042 62.100 -0.753 0.000 0.993 20 T CB 1.729 70.351 68.868 -0.411 0.000 1.045 20 T HN 0.377 nan 8.240 nan 0.000 0.454 21 V N 2.828 122.374 119.914 -0.613 0.000 2.488 21 V HA 0.559 4.678 4.120 -0.001 0.000 0.277 21 V C 0.451 176.454 176.094 -0.151 0.000 1.046 21 V CA -0.127 61.928 62.300 -0.409 0.000 0.986 21 V CB 1.284 33.028 31.823 -0.132 0.000 0.989 21 V HN 0.945 nan 8.190 nan 0.000 0.475 22 S N 6.102 121.766 115.700 -0.060 0.000 2.381 22 S HA 0.441 4.911 4.470 -0.001 0.000 0.193 22 S C -0.735 173.940 174.600 0.124 0.000 1.287 22 S CA -0.621 57.600 58.200 0.036 0.000 1.199 22 S CB -0.095 63.074 63.200 -0.052 0.000 1.214 22 S HN 0.454 nan 8.310 nan 0.000 0.444 23 I N 4.711 125.429 120.570 0.247 0.000 2.396 23 I HA 0.344 4.513 4.170 -0.001 0.000 0.289 23 I C -2.039 174.145 176.117 0.112 0.000 1.056 23 I CA -2.379 59.025 61.300 0.172 0.000 1.365 23 I CB 0.258 38.316 38.000 0.097 0.000 1.407 23 I HN 0.353 nan 8.210 nan 0.000 0.509 24 P HA 0.055 nan 4.420 nan 0.000 0.267 24 P C 0.540 177.868 177.300 0.046 0.000 1.200 24 P CA -0.102 63.029 63.100 0.052 0.000 0.772 24 P CB 0.836 32.559 31.700 0.037 0.000 0.855 25 D N 1.251 121.679 120.400 0.047 0.000 2.149 25 D HA -0.190 4.450 4.640 -0.001 0.000 0.198 25 D C 1.576 177.893 176.300 0.028 0.000 0.990 25 D CA 1.264 55.290 54.000 0.044 0.000 0.839 25 D CB -0.101 40.722 40.800 0.039 0.000 0.948 25 D HN 0.607 nan 8.370 nan 0.000 0.460 26 E N 0.580 120.794 120.200 0.023 0.000 2.085 26 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 26 E C 1.948 178.558 176.600 0.017 0.000 0.994 26 E CA 1.000 57.410 56.400 0.017 0.000 0.801 26 E CB 0.096 29.806 29.700 0.016 0.000 0.743 26 E HN 0.335 nan 8.360 nan 0.000 0.453 27 Q N -0.052 119.758 119.800 0.017 0.000 2.124 27 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 27 Q C 2.419 178.427 176.000 0.014 0.000 0.977 27 Q CA 1.177 56.992 55.803 0.020 0.000 0.850 27 Q CB 0.003 28.743 28.738 0.003 0.000 0.901 27 Q HN 0.391 nan 8.270 nan 0.000 0.429 28 L N 0.502 121.720 121.223 -0.008 0.000 2.109 28 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 28 L C 1.703 178.571 176.870 -0.004 0.000 1.086 28 L CA 0.699 55.536 54.840 -0.006 0.000 0.760 28 L CB -0.344 41.732 42.059 0.028 0.000 0.910 28 L HN 0.170 nan 8.230 nan 0.000 0.437 29 D N 0.117 120.517 120.400 0.000 0.000 2.117 29 D HA -0.168 4.472 4.640 -0.001 0.000 0.198 29 D C 1.740 178.020 176.300 -0.034 0.000 0.982 29 D CA 1.149 55.141 54.000 -0.014 0.000 0.828 29 D CB -0.165 40.633 40.800 -0.003 0.000 0.967 29 D HN 0.296 nan 8.370 nan 0.000 0.464 30 D N 0.381 120.774 120.400 -0.011 0.000 2.178 30 D HA -0.105 4.534 4.640 -0.001 0.000 0.202 30 D C 2.226 178.500 176.300 -0.043 0.000 0.974 30 D CA 0.225 54.223 54.000 -0.003 0.000 0.841 30 D CB -0.116 40.713 40.800 0.048 0.000 0.953 30 D HN 0.143 nan 8.370 nan 0.000 0.478 31 L N 1.561 122.748 121.223 -0.060 0.000 2.017 31 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 31 L C 2.096 178.701 176.870 -0.442 0.000 1.073 31 L CA 1.841 56.522 54.840 -0.266 0.000 0.745 31 L CB -0.526 41.395 42.059 -0.230 0.000 0.894 31 L HN -0.186 nan 8.230 nan 0.000 0.432 32 K N -1.368 118.854 120.400 -0.297 0.000 2.057 32 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 32 K C 1.896 178.340 176.600 -0.261 0.000 1.049 32 K CA 1.894 58.001 56.287 -0.299 0.000 0.931 32 K CB -0.207 32.206 32.500 -0.144 0.000 0.714 32 K HN 0.433 nan 8.250 nan 0.000 0.440 33 T N 1.784 116.230 114.554 -0.180 0.000 2.684 33 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 33 T C 1.713 176.308 174.700 -0.175 0.000 1.036 33 T CA 1.416 63.432 62.100 -0.139 0.000 1.148 33 T CB -0.130 68.688 68.868 -0.084 0.000 0.863 33 T HN 0.173 nan 8.240 nan 0.000 0.436 34 L N 0.704 121.796 121.223 -0.218 0.000 2.141 34 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 34 L C 2.607 179.269 176.870 -0.347 0.000 1.094 34 L CA 0.690 55.383 54.840 -0.246 0.000 0.763 34 L CB -0.634 41.276 42.059 -0.250 0.000 0.908 34 L HN 0.160 nan 8.230 nan 0.000 0.437 35 V N -0.113 119.506 119.914 -0.491 0.000 2.358 35 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 35 V C 2.668 178.583 176.094 -0.299 0.000 1.047 35 V CA 1.686 63.668 62.300 -0.530 0.000 1.035 35 V CB -0.581 30.757 31.823 -0.808 0.000 0.658 35 V HN 0.443 nan 8.190 nan 0.000 0.452 36 R N -0.257 120.098 120.500 -0.242 0.000 2.075 36 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 36 R C 2.183 178.412 176.300 -0.118 0.000 1.126 36 R CA 1.364 57.372 56.100 -0.153 0.000 0.963 36 R CB -0.139 30.087 30.300 -0.124 0.000 0.858 36 R HN 0.414 nan 8.270 nan 0.000 0.435 37 L N 0.731 121.881 121.223 -0.121 0.000 2.395 37 L HA 0.060 4.399 4.340 -0.001 0.000 0.218 37 L C 0.621 177.443 176.870 -0.081 0.000 1.130 37 L CA 0.074 54.862 54.840 -0.086 0.000 0.826 37 L CB -0.030 41.985 42.059 -0.074 0.000 0.941 37 L HN 0.084 nan 8.230 nan 0.000 0.451 38 S N 0.498 116.133 115.700 -0.108 0.000 2.568 38 S HA 0.103 4.573 4.470 -0.001 0.000 0.282 38 S C 0.220 174.784 174.600 -0.060 0.000 1.338 38 S CA 0.061 58.208 58.200 -0.088 0.000 1.045 38 S CB 0.698 63.827 63.200 -0.120 0.000 0.873 38 S HN 0.165 nan 8.310 nan 0.000 0.516 39 K N 1.480 121.858 120.400 -0.037 0.000 2.139 39 K HA 0.591 4.911 4.320 -0.001 0.000 0.243 39 K C -0.571 176.023 176.600 -0.011 0.000 0.983 39 K CA -0.588 55.685 56.287 -0.023 0.000 0.890 39 K CB 1.172 33.664 32.500 -0.014 0.000 1.090 39 K HN 0.444 nan 8.250 nan 0.000 0.445 40 I N 1.282 121.849 120.570 -0.005 0.000 2.562 40 I HA 0.286 4.455 4.170 -0.001 0.000 0.301 40 I C 0.027 176.153 176.117 0.015 0.000 1.003 40 I CA -0.942 60.364 61.300 0.008 0.000 1.127 40 I CB 1.963 39.966 38.000 0.004 0.000 1.304 40 I HN 0.690 nan 8.210 nan 0.000 0.446 41 A N 6.926 129.762 122.820 0.027 0.000 2.466 41 A HA 0.405 4.725 4.320 -0.001 0.000 0.238 41 A C -2.191 175.408 177.584 0.024 0.000 1.074 41 A CA -0.789 51.264 52.037 0.027 0.000 0.774 41 A CB -0.622 18.400 19.000 0.037 0.000 1.015 41 A HN 0.491 nan 8.150 nan 0.000 0.498 42 P HA 0.297 nan 4.420 nan 0.000 0.272 42 P C -2.696 174.620 177.300 0.027 0.000 1.223 42 P CA -1.122 61.990 63.100 0.021 0.000 0.784 42 P CB -0.443 31.267 31.700 0.018 0.000 0.923 43 P HA 0.139 nan 4.420 nan 0.000 0.268 43 P C -0.119 177.207 177.300 0.043 0.000 1.205 43 P CA 0.445 63.566 63.100 0.035 0.000 0.771 43 P CB 0.240 31.960 31.700 0.034 0.000 0.858 44 T N -1.168 113.416 114.554 0.050 0.000 2.883 44 T HA 0.239 4.588 4.350 -0.001 0.000 0.296 44 T C 0.498 175.258 174.700 0.101 0.000 1.117 44 T CA -0.543 61.599 62.100 0.070 0.000 1.006 44 T CB 0.586 69.483 68.868 0.049 0.000 1.191 44 T HN 0.280 nan 8.240 nan 0.000 0.508 45 Y N 1.529 121.836 120.300 0.011 0.000 2.114 45 Y HA -0.174 4.375 4.550 -0.001 0.000 0.282 45 Y C 2.118 178.067 175.900 0.082 0.000 1.165 45 Y CA 2.381 60.503 58.100 0.037 0.000 1.148 45 Y CB -0.511 37.960 38.460 0.017 0.000 0.972 45 Y HN 0.840 nan 8.280 nan 0.000 0.504 46 E N -0.172 120.010 120.200 -0.031 0.000 2.077 46 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 46 E C 2.338 178.974 176.600 0.061 0.000 0.989 46 E CA 1.752 58.129 56.400 -0.038 0.000 0.800 46 E CB -0.419 29.149 29.700 -0.220 0.000 0.746 46 E HN 0.543 nan 8.360 nan 0.000 0.452 47 S N -0.122 115.594 115.700 0.027 0.000 2.607 47 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 47 S C 1.460 176.071 174.600 0.018 0.000 0.969 47 S CA 0.252 58.476 58.200 0.040 0.000 0.927 47 S CB -0.038 63.190 63.200 0.047 0.000 0.772 47 S HN 0.157 nan 8.310 nan 0.000 0.533 48 L N 0.550 121.762 121.223 -0.019 0.000 2.640 48 L HA 0.281 4.621 4.340 -0.001 0.000 0.230 48 L C 0.190 177.020 176.870 -0.067 0.000 1.123 48 L CA -0.161 54.663 54.840 -0.027 0.000 0.900 48 L CB 0.027 42.081 42.059 -0.009 0.000 1.146 48 L HN 0.204 nan 8.230 nan 0.000 0.484 49 Q N 0.692 120.433 119.800 -0.098 0.000 2.344 49 Q HA 0.209 4.548 4.340 -0.001 0.000 0.253 49 Q C 1.121 177.070 176.000 -0.086 0.000 1.050 49 Q CA 0.118 55.844 55.803 -0.127 0.000 0.912 49 Q CB 1.523 30.157 28.738 -0.173 0.000 1.258 49 Q HN 0.212 nan 8.270 nan 0.000 0.443 50 A N 3.808 126.588 122.820 -0.068 0.000 1.948 50 A HA -0.237 4.082 4.320 -0.001 0.000 0.220 50 A C 1.362 178.903 177.584 -0.071 0.000 1.177 50 A CA 1.995 54.002 52.037 -0.050 0.000 0.636 50 A CB -0.220 18.760 19.000 -0.034 0.000 0.815 50 A HN 0.727 nan 8.150 nan 0.000 0.449 51 D N -1.358 118.984 120.400 -0.096 0.000 2.371 51 D HA 0.171 4.810 4.640 -0.001 0.000 0.221 51 D C 1.231 177.450 176.300 -0.136 0.000 0.986 51 D CA 0.922 54.857 54.000 -0.109 0.000 0.899 51 D CB -1.083 39.646 40.800 -0.118 0.000 0.902 51 D HN 0.871 nan 8.370 nan 0.000 0.530 52 G N 1.683 110.398 108.800 -0.141 0.000 2.283 52 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.280 52 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.280 52 G C 1.015 175.811 174.900 -0.172 0.000 1.029 52 G CA 0.601 45.616 45.100 -0.141 0.000 0.840 52 G HN 0.660 nan 8.290 nan 0.000 0.505 53 R N -1.567 118.763 120.500 -0.283 0.000 2.285 53 R HA 0.155 4.495 4.340 -0.001 0.000 0.213 53 R C 1.298 177.401 176.300 -0.329 0.000 1.068 53 R CA 1.351 57.238 56.100 -0.355 0.000 1.004 53 R CB -0.164 29.827 30.300 -0.515 0.000 0.873 53 R HN 0.360 nan 8.270 nan 0.000 0.467 54 F N 0.615 120.528 119.950 -0.061 0.000 2.653 54 F HA 0.449 4.976 4.527 -0.001 0.000 0.304 54 F C 1.214 176.978 175.800 -0.059 0.000 1.092 54 F CA 0.116 58.088 58.000 -0.047 0.000 1.279 54 F CB 0.938 39.912 39.000 -0.043 0.000 1.044 54 F HN 0.371 nan 8.300 nan 0.000 0.564 55 G N 0.809 109.638 108.800 0.047 0.000 2.362 55 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.517 55 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.517 55 G C -0.462 174.391 174.900 -0.078 0.000 1.256 55 G CA -0.733 44.346 45.100 -0.035 0.000 1.027 55 G HN 0.341 nan 8.290 nan 0.000 0.491 56 I N -0.324 120.181 120.570 -0.108 0.000 2.813 56 I HA 0.538 4.707 4.170 -0.001 0.000 0.287 56 I C 1.052 177.182 176.117 0.022 0.000 1.196 56 I CA 0.202 61.429 61.300 -0.121 0.000 1.421 56 I CB 0.786 38.747 38.000 -0.064 0.000 1.365 56 I HN 0.939 nan 8.210 nan 0.000 0.591 57 T N 1.547 116.136 114.554 0.058 0.000 2.874 57 T HA 0.269 4.618 4.350 -0.001 0.000 0.281 57 T C 0.951 175.743 174.700 0.154 0.000 0.994 57 T CA -0.429 61.727 62.100 0.094 0.000 1.015 57 T CB 1.578 70.490 68.868 0.074 0.000 1.028 57 T HN 0.697 nan 8.240 nan 0.000 0.523 58 S N 0.074 115.834 115.700 0.100 0.000 2.368 58 S HA -0.111 4.359 4.470 -0.001 0.000 0.225 58 S C 1.869 176.519 174.600 0.083 0.000 1.030 58 S CA 1.321 59.572 58.200 0.085 0.000 0.999 58 S CB -0.510 62.721 63.200 0.053 0.000 0.844 58 S HN 0.923 nan 8.310 nan 0.000 0.459 59 E N -0.179 120.072 120.200 0.085 0.000 2.058 59 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 59 E C 1.862 178.515 176.600 0.089 0.000 0.997 59 E CA 1.401 57.842 56.400 0.069 0.000 0.801 59 E CB -0.250 29.490 29.700 0.066 0.000 0.746 59 E HN 0.673 nan 8.360 nan 0.000 0.450 60 W N 0.823 122.102 121.300 -0.034 0.000 2.355 60 W HA -0.201 4.458 4.660 -0.001 0.000 0.309 60 W C 2.069 178.559 176.519 -0.049 0.000 1.206 60 W CA 1.464 58.780 57.345 -0.048 0.000 1.284 60 W CB -0.521 28.904 29.460 -0.057 0.000 1.145 60 W HN 0.234 nan 8.180 nan 0.000 0.502 61 L N 0.614 121.894 121.223 0.095 0.000 2.083 61 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 61 L C 2.342 179.092 176.870 -0.200 0.000 1.083 61 L CA 2.686 57.449 54.840 -0.128 0.000 0.752 61 L CB -1.310 40.813 42.059 0.107 0.000 0.899 61 L HN -0.051 nan 8.230 nan 0.000 0.433 62 T N -1.298 113.195 114.554 -0.102 0.000 2.708 62 T HA -0.168 4.182 4.350 -0.001 0.000 0.266 62 T C 1.727 176.341 174.700 -0.144 0.000 1.037 62 T CA 1.947 63.991 62.100 -0.092 0.000 1.146 62 T CB -0.441 68.401 68.868 -0.044 0.000 0.865 62 T HN 0.416 nan 8.240 nan 0.000 0.435 63 T N 2.530 116.973 114.554 -0.185 0.000 2.708 63 T HA -0.041 4.308 4.350 -0.001 0.000 0.266 63 T C 2.072 176.598 174.700 -0.291 0.000 1.037 63 T CA 0.980 62.958 62.100 -0.204 0.000 1.146 63 T CB -0.251 68.501 68.868 -0.194 0.000 0.865 63 T HN 0.178 nan 8.240 nan 0.000 0.435 64 M N 0.809 120.103 119.600 -0.510 0.000 2.117 64 M HA -0.005 4.474 4.480 -0.001 0.000 0.262 64 M C 2.380 178.508 176.300 -0.287 0.000 1.065 64 M CA 1.346 56.306 55.300 -0.566 0.000 1.114 64 M CB -1.012 30.963 32.600 -1.043 0.000 1.361 64 M HN 0.203 nan 8.290 nan 0.000 0.408 65 R N 0.769 121.152 120.500 -0.196 0.000 2.081 65 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 65 R C 1.889 178.184 176.300 -0.009 0.000 1.131 65 R CA 1.744 57.828 56.100 -0.027 0.000 0.960 65 R CB -0.047 30.222 30.300 -0.052 0.000 0.856 65 R HN 0.467 nan 8.270 nan 0.000 0.436 66 E N 0.268 120.433 120.200 -0.059 0.000 2.077 66 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 66 E C 2.020 178.616 176.600 -0.007 0.000 0.989 66 E CA 1.370 57.748 56.400 -0.037 0.000 0.800 66 E CB 0.029 29.697 29.700 -0.053 0.000 0.746 66 E HN 0.379 nan 8.360 nan 0.000 0.452 67 K N 0.090 120.470 120.400 -0.033 0.000 2.097 67 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 67 K C 1.907 178.576 176.600 0.115 0.000 1.050 67 K CA 0.923 57.209 56.287 -0.002 0.000 0.938 67 K CB -0.167 32.283 32.500 -0.082 0.000 0.718 67 K HN 0.206 nan 8.250 nan 0.000 0.442 68 W N 1.803 123.023 121.300 -0.134 0.000 2.350 68 W HA -0.102 4.558 4.660 -0.001 0.000 0.289 68 W C 1.473 177.976 176.519 -0.027 0.000 1.215 68 W CA 1.142 58.397 57.345 -0.149 0.000 1.236 68 W CB -0.328 28.956 29.460 -0.295 0.000 1.130 68 W HN 0.002 nan 8.180 nan 0.000 0.541 69 L N -0.099 121.217 121.223 0.154 0.000 2.249 69 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 69 L C 2.516 179.430 176.870 0.073 0.000 1.090 69 L CA 1.616 56.486 54.840 0.051 0.000 0.802 69 L CB -0.717 41.331 42.059 -0.018 0.000 0.947 69 L HN -0.072 nan 8.230 nan 0.000 0.453 70 S N -2.312 113.435 115.700 0.077 0.000 2.524 70 S HA -0.001 4.469 4.470 -0.001 0.000 0.222 70 S C 1.593 176.234 174.600 0.068 0.000 1.040 70 S CA -0.102 58.131 58.200 0.056 0.000 0.915 70 S CB 0.400 63.615 63.200 0.025 0.000 0.831 70 S HN 0.385 nan 8.310 nan 0.000 0.492 71 E N -0.152 120.108 120.200 0.099 0.000 2.330 71 E HA 0.259 4.609 4.350 -0.001 0.000 0.200 71 E C -0.177 176.501 176.600 0.131 0.000 0.922 71 E CA -0.457 55.993 56.400 0.084 0.000 0.935 71 E CB 0.165 29.896 29.700 0.052 0.000 0.917 71 E HN 0.440 nan 8.360 nan 0.000 0.491 72 F N 2.326 122.312 119.950 0.060 0.000 2.578 72 F HA 0.099 4.625 4.527 -0.001 0.000 0.376 72 F C -0.407 175.471 175.800 0.130 0.000 1.085 72 F CA 0.254 58.313 58.000 0.099 0.000 1.260 72 F CB 0.725 39.858 39.000 0.223 0.000 1.095 72 F HN -0.148 nan 8.300 nan 0.000 0.573 73 D N 7.077 127.025 120.400 -0.753 0.000 2.686 73 D HA 0.036 4.675 4.640 -0.001 0.000 0.249 73 D C 0.202 176.079 176.300 -0.705 0.000 1.260 73 D CA -0.544 53.131 54.000 -0.540 0.000 0.910 73 D CB 0.351 41.023 40.800 -0.214 0.000 1.323 73 D HN 0.754 nan 8.370 nan 0.000 0.561 74 W N 5.077 125.971 121.300 -0.677 0.000 2.418 74 W HA -0.134 4.526 4.660 -0.001 0.000 0.292 74 W C 1.089 177.602 176.519 -0.011 0.000 1.213 74 W CA 0.583 57.782 57.345 -0.243 0.000 1.283 74 W CB 0.268 29.779 29.460 0.085 0.000 1.119 74 W HN 0.374 nan 8.180 nan 0.000 0.542 75 R N 0.217 120.716 120.500 -0.000 0.000 2.096 75 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 75 R C -0.280 175.925 176.300 -0.160 0.000 1.139 75 R CA 1.804 57.864 56.100 -0.067 0.000 0.952 75 R CB -2.457 27.851 30.300 0.014 0.000 0.854 75 R HN 0.257 nan 8.270 nan 0.000 0.436 76 P HA -0.108 nan 4.420 nan 0.000 0.217 76 P C 1.316 178.547 177.300 -0.115 0.000 1.150 76 P CA 0.822 63.860 63.100 -0.103 0.000 0.832 76 P CB -0.188 31.468 31.700 -0.074 0.000 0.787 77 F N 1.055 120.802 119.950 -0.339 0.000 2.146 77 F HA -0.120 4.406 4.527 -0.001 0.000 0.298 77 F C 2.193 177.720 175.800 -0.455 0.000 1.096 77 F CA 1.428 59.200 58.000 -0.379 0.000 1.275 77 F CB -0.677 38.047 39.000 -0.460 0.000 1.008 77 F HN -0.101 nan 8.300 nan 0.000 0.480 78 E N 0.152 119.883 120.200 -0.781 0.000 2.077 78 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 78 E C 2.263 178.649 176.600 -0.357 0.000 0.989 78 E CA 1.095 57.082 56.400 -0.688 0.000 0.800 78 E CB -0.334 29.043 29.700 -0.538 0.000 0.746 78 E HN 0.450 nan 8.360 nan 0.000 0.452 79 A N 1.325 123.993 122.820 -0.253 0.000 1.933 79 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 79 A C 2.181 179.693 177.584 -0.121 0.000 1.175 79 A CA 1.551 53.501 52.037 -0.146 0.000 0.628 79 A CB -0.533 18.403 19.000 -0.106 0.000 0.814 79 A HN 0.233 nan 8.150 nan 0.000 0.444 80 R N -0.315 120.092 120.500 -0.155 0.000 2.092 80 R HA -0.014 4.326 4.340 -0.001 0.000 0.231 80 R C 1.909 178.246 176.300 0.062 0.000 1.119 80 R CA 1.270 57.341 56.100 -0.049 0.000 0.970 80 R CB -0.377 29.895 30.300 -0.046 0.000 0.864 80 R HN 0.520 nan 8.270 nan 0.000 0.440 81 L N 0.855 121.968 121.223 -0.184 0.000 2.042 81 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 81 L C 1.377 178.420 176.870 0.289 0.000 1.076 81 L CA 1.109 55.955 54.840 0.010 0.000 0.749 81 L CB -0.429 41.508 42.059 -0.203 0.000 0.893 81 L HN 0.263 nan 8.230 nan 0.000 0.432 82 N N -0.462 118.284 118.700 0.077 0.000 2.449 82 N HA -0.053 4.686 4.740 -0.001 0.000 0.191 82 N C 1.761 177.285 175.510 0.023 0.000 1.161 82 N CA 0.860 53.937 53.050 0.045 0.000 0.863 82 N CB 0.137 38.589 38.487 -0.058 0.000 0.980 82 N HN 0.335 nan 8.380 nan 0.000 0.458 83 S N -0.912 114.812 115.700 0.040 0.000 2.522 83 S HA 0.113 4.582 4.470 -0.001 0.000 0.227 83 S C 0.439 174.815 174.600 -0.374 0.000 0.986 83 S CA 0.101 58.201 58.200 -0.166 0.000 0.929 83 S CB -0.119 62.944 63.200 -0.228 0.000 0.769 83 S HN 0.033 nan 8.310 nan 0.000 0.529 84 F N 1.627 121.550 119.950 -0.045 0.000 2.556 84 F HA 0.600 5.127 4.527 -0.000 0.000 0.327 84 F C -2.650 173.122 175.800 -0.047 0.000 1.059 84 F CA -2.782 55.152 58.000 -0.109 0.000 0.953 84 F CB 0.842 39.636 39.000 -0.342 0.000 1.227 84 F HN -0.182 nan 8.300 nan 0.000 0.478 85 P HA 0.132 nan 4.420 nan 0.000 0.267 85 P C -1.438 175.778 177.300 -0.139 0.000 1.205 85 P CA 0.021 63.117 63.100 -0.007 0.000 0.765 85 P CB 0.409 32.250 31.700 0.234 0.000 0.828 86 Q N 1.802 121.296 119.800 -0.509 0.000 2.421 86 Q HA 0.710 5.050 4.340 -0.001 0.000 0.280 86 Q C -1.059 174.371 176.000 -0.951 0.000 1.085 86 Q CA -0.502 55.010 55.803 -0.484 0.000 0.807 86 Q CB 1.993 30.704 28.738 -0.045 0.000 1.405 86 Q HN 0.322 nan 8.270 nan 0.000 0.419 87 F N -0.697 118.922 119.950 -0.551 0.000 2.685 87 F HA 0.634 5.160 4.527 -0.001 0.000 0.315 87 F C -0.223 175.258 175.800 -0.532 0.000 1.126 87 F CA -0.797 56.923 58.000 -0.468 0.000 0.950 87 F CB 2.079 40.748 39.000 -0.552 0.000 1.360 87 F HN 0.498 nan 8.300 nan 0.000 0.469 88 T N -2.154 112.436 114.554 0.060 0.000 2.903 88 T HA 0.774 5.124 4.350 -0.001 0.000 0.299 88 T C -1.004 173.852 174.700 0.259 0.000 1.093 88 T CA -0.726 61.437 62.100 0.105 0.000 1.002 88 T CB 2.018 70.921 68.868 0.059 0.000 1.127 88 T HN 0.845 nan 8.240 nan 0.000 0.488 89 T N 0.476 115.197 114.554 0.279 0.000 2.853 89 T HA 0.447 4.796 4.350 -0.001 0.000 0.311 89 T C -1.759 173.034 174.700 0.156 0.000 1.307 89 T CA -0.647 61.595 62.100 0.236 0.000 1.019 89 T CB 1.855 70.893 68.868 0.283 0.000 1.264 89 T HN 0.755 nan 8.240 nan 0.000 0.497 90 E N 2.490 122.758 120.200 0.112 0.000 2.197 90 E HA 0.559 4.908 4.350 -0.001 0.000 0.281 90 E C -0.695 175.945 176.600 0.066 0.000 0.995 90 E CA -0.559 55.890 56.400 0.082 0.000 0.808 90 E CB 1.648 31.389 29.700 0.068 0.000 1.093 90 E HN 0.440 nan 8.360 nan 0.000 0.394 91 I N 2.062 122.670 120.570 0.063 0.000 2.478 91 I HA 0.095 4.265 4.170 -0.001 0.000 0.287 91 I C 0.042 176.199 176.117 0.067 0.000 1.042 91 I CA -0.384 60.951 61.300 0.058 0.000 1.067 91 I CB 1.547 39.580 38.000 0.056 0.000 1.233 91 I HN 0.646 nan 8.210 nan 0.000 0.431 92 E N 4.182 124.421 120.200 0.065 0.000 2.440 92 E HA -0.288 4.061 4.350 -0.001 0.000 0.246 92 E C 1.111 177.743 176.600 0.053 0.000 1.165 92 E CA 0.743 57.186 56.400 0.071 0.000 0.726 92 E CB -0.971 28.796 29.700 0.111 0.000 1.271 92 E HN 1.216 nan 8.360 nan 0.000 0.397 93 G N -0.928 107.896 108.800 0.041 0.000 2.205 93 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.261 93 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.261 93 G C 0.290 175.199 174.900 0.014 0.000 0.980 93 G CA 0.464 45.580 45.100 0.026 0.000 0.632 93 G HN 0.268 nan 8.290 nan 0.000 0.533 94 L N 1.310 122.542 121.223 0.016 0.000 2.334 94 L HA 0.537 4.876 4.340 -0.001 0.000 0.277 94 L C 0.488 177.380 176.870 0.037 0.000 1.075 94 L CA -0.630 54.210 54.840 0.000 0.000 0.804 94 L CB 1.582 43.627 42.059 -0.024 0.000 1.174 94 L HN 0.038 nan 8.230 nan 0.000 0.438 95 T N 4.056 118.633 114.554 0.039 0.000 2.729 95 T HA 0.400 4.749 4.350 -0.001 0.000 0.296 95 T C 0.003 174.757 174.700 0.091 0.000 0.928 95 T CA -0.218 61.923 62.100 0.069 0.000 1.045 95 T CB 0.264 69.170 68.868 0.063 0.000 0.902 95 T HN 0.153 nan 8.240 nan 0.000 0.500 96 I N 4.549 125.197 120.570 0.129 0.000 2.339 96 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 96 I C 0.501 176.766 176.117 0.246 0.000 0.994 96 I CA -0.818 60.589 61.300 0.177 0.000 1.191 96 I CB 0.970 39.064 38.000 0.157 0.000 1.343 96 I HN 0.675 nan 8.210 nan 0.000 0.458 97 H N 8.059 127.188 119.070 0.098 0.000 2.481 97 H HA 0.580 5.135 4.556 -0.001 0.000 0.339 97 H C -1.632 173.799 175.328 0.172 0.000 1.131 97 H CA -0.263 55.766 56.048 -0.031 0.000 1.301 97 H CB 1.682 31.297 29.762 -0.245 0.000 1.476 97 H HN 0.444 nan 8.280 nan 0.000 0.529 98 F N 1.122 120.584 119.950 -0.814 0.000 2.665 98 F HA 0.684 5.211 4.527 -0.001 0.000 0.308 98 F C -1.693 173.838 175.800 -0.448 0.000 1.112 98 F CA -1.024 56.681 58.000 -0.492 0.000 0.972 98 F CB 0.634 39.559 39.000 -0.126 0.000 1.295 98 F HN 0.624 nan 8.300 nan 0.000 0.440 99 A N 1.702 124.479 122.820 -0.072 0.000 2.294 99 A HA 1.041 5.361 4.320 -0.001 0.000 0.330 99 A C -0.689 176.980 177.584 0.141 0.000 1.133 99 A CA -0.259 51.812 52.037 0.056 0.000 0.836 99 A CB 1.091 20.294 19.000 0.340 0.000 1.190 99 A HN 2.230 nan 8.150 nan 0.000 0.492 100 A N 0.126 122.990 122.820 0.073 0.000 2.597 100 A HA 0.639 4.958 4.320 -0.001 0.000 0.292 100 A C -1.772 175.709 177.584 -0.172 0.000 1.057 100 A CA -0.396 51.550 52.037 -0.151 0.000 0.674 100 A CB 0.692 19.441 19.000 -0.419 0.000 1.278 100 A HN 0.904 nan 8.150 nan 0.000 0.416 101 L N 1.477 122.511 121.223 -0.315 0.000 2.415 101 L HA 0.512 4.851 4.340 -0.001 0.000 0.268 101 L C -1.601 175.232 176.870 -0.062 0.000 0.984 101 L CA -0.192 54.573 54.840 -0.126 0.000 0.853 101 L CB 1.194 43.090 42.059 -0.271 0.000 1.215 101 L HN 0.660 nan 8.230 nan 0.000 0.419 102 F N 1.131 121.332 119.950 0.417 0.000 2.408 102 F HA 0.367 4.894 4.527 -0.001 0.000 0.344 102 F C 0.898 176.976 175.800 0.462 0.000 1.112 102 F CA -0.186 58.097 58.000 0.472 0.000 1.096 102 F CB 1.939 41.163 39.000 0.373 0.000 1.129 102 F HN 0.294 nan 8.300 nan 0.000 0.486 103 S N 1.350 117.396 115.700 0.576 0.000 2.632 103 S HA 0.225 4.695 4.470 -0.001 0.000 0.271 103 S C 0.787 175.551 174.600 0.273 0.000 1.260 103 S CA -0.404 57.933 58.200 0.227 0.000 1.010 103 S CB 0.834 63.941 63.200 -0.156 0.000 0.965 103 S HN 0.767 nan 8.310 nan 0.000 0.534 104 E N 0.787 121.068 120.200 0.135 0.000 2.474 104 E HA 0.121 4.470 4.350 -0.001 0.000 0.195 104 E C -0.004 176.647 176.600 0.085 0.000 1.039 104 E CA -0.028 56.441 56.400 0.116 0.000 0.881 104 E CB 0.358 30.090 29.700 0.054 0.000 0.970 104 E HN 0.456 nan 8.360 nan 0.000 0.486 105 R N 0.910 121.434 120.500 0.040 0.000 2.347 105 R HA 0.049 4.389 4.340 -0.001 0.000 0.304 105 R C 0.754 177.085 176.300 0.053 0.000 1.072 105 R CA -0.133 55.976 56.100 0.015 0.000 0.980 105 R CB 0.724 30.995 30.300 -0.048 0.000 0.986 105 R HN -0.031 nan 8.270 nan 0.000 0.448 106 E N 1.586 121.832 120.200 0.075 0.000 2.204 106 E HA -0.180 4.169 4.350 -0.001 0.000 0.195 106 E C 0.546 177.217 176.600 0.119 0.000 0.990 106 E CA 1.503 57.971 56.400 0.113 0.000 0.821 106 E CB 0.102 29.856 29.700 0.090 0.000 0.750 106 E HN 0.640 nan 8.360 nan 0.000 0.477 107 D N -1.047 119.397 120.400 0.074 0.000 2.328 107 D HA 0.142 4.781 4.640 -0.001 0.000 0.221 107 D C 0.059 176.371 176.300 0.019 0.000 1.072 107 D CA 0.080 54.133 54.000 0.088 0.000 0.850 107 D CB -0.086 40.766 40.800 0.086 0.000 0.922 107 D HN 0.110 nan 8.370 nan 0.000 0.516 108 A N 0.474 123.241 122.820 -0.088 0.000 2.540 108 A HA 0.345 4.665 4.320 -0.001 0.000 0.239 108 A C 0.279 177.700 177.584 -0.272 0.000 1.061 108 A CA -0.459 51.411 52.037 -0.277 0.000 0.758 108 A CB 0.399 19.010 19.000 -0.648 0.000 0.991 108 A HN 0.158 nan 8.150 nan 0.000 0.502 109 V N 5.486 125.196 119.914 -0.341 0.000 2.455 109 V HA 0.234 4.353 4.120 -0.001 0.000 0.273 109 V C -2.149 173.591 176.094 -0.591 0.000 1.045 109 V CA -1.177 60.687 62.300 -0.727 0.000 0.976 109 V CB 1.002 32.205 31.823 -1.035 0.000 0.993 109 V HN 0.746 nan 8.190 nan 0.000 0.475 110 P HA 0.419 nan 4.420 nan 0.000 0.276 110 P C -0.693 176.293 177.300 -0.524 0.000 1.243 110 P CA 0.083 62.731 63.100 -0.754 0.000 0.768 110 P CB 0.497 31.421 31.700 -1.292 0.000 0.856 111 I N 2.047 122.355 120.570 -0.437 0.000 2.533 111 I HA 0.611 4.780 4.170 -0.001 0.000 0.290 111 I C -0.296 175.651 176.117 -0.283 0.000 1.056 111 I CA -1.077 60.020 61.300 -0.338 0.000 1.057 111 I CB 2.373 40.111 38.000 -0.437 0.000 1.240 111 I HN 0.231 nan 8.210 nan 0.000 0.423 112 A N 7.417 130.107 122.820 -0.217 0.000 2.303 112 A HA 0.808 5.127 4.320 -0.001 0.000 0.320 112 A C -0.797 176.635 177.584 -0.254 0.000 1.192 112 A CA -0.471 51.425 52.037 -0.234 0.000 0.821 112 A CB 0.719 19.579 19.000 -0.234 0.000 1.188 112 A HN 0.695 nan 8.150 nan 0.000 0.492 113 L N 3.627 124.620 121.223 -0.384 0.000 2.265 113 L HA 0.419 4.758 4.340 -0.001 0.000 0.289 113 L C -0.796 175.780 176.870 -0.490 0.000 1.033 113 L CA -0.216 54.227 54.840 -0.662 0.000 0.814 113 L CB 0.980 42.234 42.059 -1.342 0.000 1.203 113 L HN 0.567 nan 8.230 nan 0.000 0.423 114 L N 3.987 125.112 121.223 -0.163 0.000 2.287 114 L HA 0.429 4.768 4.340 -0.001 0.000 0.287 114 L C 0.522 177.571 176.870 0.299 0.000 1.022 114 L CA -0.793 54.070 54.840 0.038 0.000 0.814 114 L CB 0.906 42.953 42.059 -0.019 0.000 1.217 114 L HN 0.638 nan 8.230 nan 0.000 0.420 115 H N 1.683 120.985 119.070 0.386 0.000 2.408 115 H HA 0.700 5.256 4.556 -0.001 0.000 0.345 115 H C -0.279 175.138 175.328 0.149 0.000 1.547 115 H CA -0.236 56.005 56.048 0.321 0.000 1.447 115 H CB 1.532 31.456 29.762 0.271 0.000 1.686 115 H HN 0.596 nan 8.280 nan 0.000 0.625 116 G N -1.506 107.499 108.800 0.343 0.000 3.166 116 G HA2 0.332 4.292 3.960 -0.001 0.000 0.267 116 G HA3 0.332 4.292 3.960 -0.001 0.000 0.267 116 G C -2.051 173.237 174.900 0.646 0.000 1.256 116 G CA -1.011 44.299 45.100 0.350 0.000 0.859 116 G HN 0.673 nan 8.290 nan 0.000 0.590 117 W N 1.823 123.486 121.300 0.605 0.000 2.573 117 W HA 0.626 5.286 4.660 -0.001 0.000 0.326 117 W C -1.876 175.050 176.519 0.679 0.000 1.049 117 W CA -2.425 55.392 57.345 0.787 0.000 1.220 117 W CB 2.402 32.392 29.460 0.884 0.000 1.373 117 W HN 0.282 nan 8.180 nan 0.000 0.507 118 P HA 0.191 nan 4.420 nan 0.000 0.236 118 P C 0.299 177.497 177.300 -0.169 0.000 1.709 118 P CA 0.120 62.605 63.100 -1.024 0.000 0.942 118 P CB 0.174 30.904 31.700 -1.617 0.000 1.615 119 G N 0.551 109.526 108.800 0.292 0.000 2.509 119 G HA2 0.577 4.536 3.960 -0.001 0.000 0.269 119 G HA3 0.577 4.536 3.960 -0.001 0.000 0.269 119 G C -0.386 174.672 174.900 0.264 0.000 1.416 119 G CA -0.179 45.107 45.100 0.311 0.000 1.052 119 G HN 0.414 nan 8.290 nan 0.000 0.542 120 S N -2.704 112.952 115.700 -0.075 0.000 2.669 120 S HA 0.312 4.782 4.470 -0.001 0.000 0.266 120 S C 0.691 175.093 174.600 -0.330 0.000 1.149 120 S CA 0.195 58.091 58.200 -0.507 0.000 0.842 120 S CB 0.108 63.270 63.200 -0.063 0.000 1.160 120 S HN 1.330 nan 8.310 nan 0.000 0.487 121 F N 1.045 120.909 119.950 -0.143 0.000 2.250 121 F HA 0.101 4.627 4.527 -0.001 0.000 0.301 121 F C 1.739 177.654 175.800 0.192 0.000 1.077 121 F CA 1.234 59.370 58.000 0.227 0.000 1.348 121 F CB -1.230 37.981 39.000 0.352 0.000 1.040 121 F HN 0.273 nan 8.300 nan 0.000 0.509 122 V N 1.004 120.370 119.914 -0.914 0.000 2.759 122 V HA -0.256 3.863 4.120 -0.001 0.000 0.256 122 V C 2.447 178.376 176.094 -0.275 0.000 1.080 122 V CA 1.857 63.642 62.300 -0.857 0.000 1.101 122 V CB -1.157 30.162 31.823 -0.839 0.000 0.698 122 V HN 0.560 nan 8.190 nan 0.000 0.477 123 E N 0.288 120.380 120.200 -0.179 0.000 2.204 123 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 123 E C 1.622 178.062 176.600 -0.267 0.000 0.990 123 E CA 1.367 57.641 56.400 -0.210 0.000 0.821 123 E CB -0.090 29.454 29.700 -0.260 0.000 0.750 123 E HN 0.637 nan 8.360 nan 0.000 0.477 124 F N -0.916 119.098 119.950 0.107 0.000 2.765 124 F HA 0.109 4.635 4.527 -0.001 0.000 0.302 124 F C 1.061 176.938 175.800 0.127 0.000 1.111 124 F CA -0.125 57.946 58.000 0.119 0.000 1.359 124 F CB 0.100 39.176 39.000 0.126 0.000 1.097 124 F HN 0.047 nan 8.300 nan 0.000 0.577 125 Y N 0.893 121.198 120.300 0.008 0.000 2.207 125 Y HA -0.113 4.437 4.550 -0.001 0.000 0.287 125 Y C -0.400 175.471 175.900 -0.049 0.000 1.156 125 Y CA 0.789 58.812 58.100 -0.128 0.000 1.182 125 Y CB -2.131 36.305 38.460 -0.041 0.000 0.979 125 Y HN 0.033 nan 8.280 nan 0.000 0.521 126 P HA -0.159 nan 4.420 nan 0.000 0.217 126 P C 1.667 179.023 177.300 0.093 0.000 1.150 126 P CA 1.669 64.834 63.100 0.109 0.000 0.832 126 P CB -0.044 31.694 31.700 0.063 0.000 0.787 127 I N -1.553 119.089 120.570 0.120 0.000 2.286 127 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 127 I C 2.180 178.425 176.117 0.212 0.000 1.104 127 I CA 1.113 62.515 61.300 0.170 0.000 1.397 127 I CB -0.520 37.647 38.000 0.278 0.000 1.072 127 I HN -0.105 nan 8.210 nan 0.000 0.417 128 L N 0.128 121.374 121.223 0.039 0.000 2.083 128 L HA -0.241 4.098 4.340 -0.001 0.000 0.209 128 L C 2.636 179.554 176.870 0.079 0.000 1.083 128 L CA 1.169 55.937 54.840 -0.121 0.000 0.752 128 L CB -0.570 40.979 42.059 -0.850 0.000 0.899 128 L HN 0.287 nan 8.230 nan 0.000 0.433 129 Q N 0.638 120.525 119.800 0.145 0.000 2.084 129 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 129 Q C 2.157 178.260 176.000 0.171 0.000 0.978 129 Q CA 1.694 57.695 55.803 0.330 0.000 0.844 129 Q CB -0.278 28.628 28.738 0.280 0.000 0.898 129 Q HN 0.458 nan 8.270 nan 0.000 0.426 130 L N -0.987 120.295 121.223 0.099 0.000 2.046 130 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 130 L C 2.052 178.917 176.870 -0.007 0.000 1.077 130 L CA 1.016 55.854 54.840 -0.005 0.000 0.747 130 L CB -0.458 41.539 42.059 -0.103 0.000 0.896 130 L HN 0.217 nan 8.230 nan 0.000 0.432 131 F N 0.002 120.004 119.950 0.088 0.000 2.146 131 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 131 F C 2.839 178.711 175.800 0.120 0.000 1.096 131 F CA 1.415 59.504 58.000 0.149 0.000 1.275 131 F CB -0.397 38.631 39.000 0.046 0.000 1.008 131 F HN -0.025 nan 8.300 nan 0.000 0.480 132 R N 0.862 121.472 120.500 0.183 0.000 2.120 132 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 132 R C 1.689 178.081 176.300 0.152 0.000 1.123 132 R CA 1.794 57.928 56.100 0.057 0.000 0.975 132 R CB -0.300 30.007 30.300 0.012 0.000 0.866 132 R HN 0.335 nan 8.270 nan 0.000 0.446 133 E N -0.154 120.110 120.200 0.107 0.000 2.216 133 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 133 E C 1.263 177.869 176.600 0.011 0.000 0.988 133 E CA 0.909 57.343 56.400 0.056 0.000 0.834 133 E CB 0.265 29.980 29.700 0.024 0.000 0.772 133 E HN 0.501 nan 8.360 nan 0.000 0.479 134 E N -0.943 119.248 120.200 -0.015 0.000 2.452 134 E HA 0.073 4.423 4.350 -0.001 0.000 0.197 134 E C -0.556 175.778 176.600 -0.443 0.000 1.022 134 E CA 0.190 56.443 56.400 -0.244 0.000 0.890 134 E CB 0.541 30.019 29.700 -0.370 0.000 0.918 134 E HN 0.121 nan 8.360 nan 0.000 0.496 135 Y N -0.724 119.663 120.300 0.146 0.000 2.644 135 Y HA 0.291 4.840 4.550 -0.001 0.000 0.338 135 Y C 0.309 176.389 175.900 0.300 0.000 1.119 135 Y CA -1.234 56.978 58.100 0.187 0.000 1.060 135 Y CB 1.673 40.258 38.460 0.208 0.000 1.294 135 Y HN -0.233 nan 8.280 nan 0.000 0.472 136 T N -2.927 111.867 114.554 0.399 0.000 2.949 136 T HA 0.401 4.750 4.350 -0.001 0.000 0.287 136 T C -2.485 172.267 174.700 0.087 0.000 1.034 136 T CA -2.468 59.753 62.100 0.203 0.000 1.018 136 T CB 2.032 70.940 68.868 0.066 0.000 1.135 136 T HN 0.229 nan 8.240 nan 0.000 0.532 137 P HA -0.108 nan 4.420 nan 0.000 0.218 137 P C 1.393 178.666 177.300 -0.046 0.000 1.148 137 P CA 0.931 63.830 63.100 -0.336 0.000 0.822 137 P CB 0.074 31.467 31.700 -0.511 0.000 0.784 138 E N -1.030 119.151 120.200 -0.031 0.000 2.285 138 E HA -0.072 4.277 4.350 -0.001 0.000 0.194 138 E C 1.366 177.986 176.600 0.033 0.000 0.997 138 E CA 1.613 58.017 56.400 0.007 0.000 0.845 138 E CB -1.281 28.421 29.700 0.004 0.000 0.782 138 E HN 0.375 nan 8.360 nan 0.000 0.491 139 T N -1.474 113.129 114.554 0.082 0.000 3.010 139 T HA 0.188 4.538 4.350 -0.001 0.000 0.257 139 T C 0.723 175.445 174.700 0.038 0.000 1.020 139 T CA -0.557 61.612 62.100 0.115 0.000 0.938 139 T CB -0.192 68.808 68.868 0.221 0.000 1.049 139 T HN -0.014 nan 8.240 nan 0.000 0.522 140 L N 3.876 125.096 121.223 -0.004 0.000 2.584 140 L HA 0.278 4.618 4.340 -0.001 0.000 0.272 140 L C -1.905 174.678 176.870 -0.479 0.000 1.195 140 L CA -1.518 53.136 54.840 -0.310 0.000 0.920 140 L CB 1.030 43.094 42.059 0.008 0.000 1.173 140 L HN -0.089 nan 8.230 nan 0.000 0.489 141 P HA 0.035 nan 4.420 nan 0.000 0.231 141 P C -0.998 175.867 177.300 -0.724 0.000 1.168 141 P CA 0.923 63.531 63.100 -0.820 0.000 0.779 141 P CB 0.193 31.213 31.700 -1.134 0.000 0.844 142 F N -2.133 117.532 119.950 -0.474 0.000 2.620 142 F HA 0.416 4.943 4.527 -0.001 0.000 0.320 142 F C 0.680 176.177 175.800 -0.505 0.000 1.069 142 F CA -1.615 56.070 58.000 -0.526 0.000 0.953 142 F CB 0.417 39.090 39.000 -0.545 0.000 1.322 142 F HN -0.226 nan 8.300 nan 0.000 0.479 143 H N 2.347 121.338 119.070 -0.132 0.000 2.504 143 H HA 0.506 5.062 4.556 -0.001 0.000 0.322 143 H C -0.899 174.268 175.328 -0.268 0.000 1.055 143 H CA -0.406 55.575 56.048 -0.112 0.000 1.231 143 H CB 1.405 31.116 29.762 -0.084 0.000 1.417 143 H HN 0.367 nan 8.280 nan 0.000 0.472 144 L N 4.301 125.403 121.223 -0.203 0.000 2.276 144 L HA 0.336 4.675 4.340 -0.001 0.000 0.286 144 L C -0.215 176.479 176.870 -0.293 0.000 1.024 144 L CA -0.794 53.861 54.840 -0.307 0.000 0.826 144 L CB 1.358 43.179 42.059 -0.396 0.000 1.211 144 L HN 0.192 nan 8.230 nan 0.000 0.422 145 V N 4.363 124.133 119.914 -0.240 0.000 2.417 145 V HA 0.392 4.511 4.120 -0.001 0.000 0.291 145 V C -0.018 175.990 176.094 -0.143 0.000 1.024 145 V CA -0.618 61.582 62.300 -0.166 0.000 0.861 145 V CB 2.151 33.889 31.823 -0.142 0.000 0.985 145 V HN 0.412 nan 8.190 nan 0.000 0.436 146 V N 7.249 127.154 119.914 -0.014 0.000 2.276 146 V HA 0.343 4.462 4.120 -0.001 0.000 0.268 146 V C -2.200 174.021 176.094 0.211 0.000 1.032 146 V CA -1.391 60.942 62.300 0.055 0.000 0.810 146 V CB 1.392 33.314 31.823 0.165 0.000 1.060 146 V HN 0.726 nan 8.190 nan 0.000 0.446 147 P HA 0.317 nan 4.420 nan 0.000 0.279 147 P C -0.278 177.251 177.300 0.381 0.000 1.252 147 P CA -0.317 62.918 63.100 0.225 0.000 0.811 147 P CB 1.517 33.261 31.700 0.072 0.000 1.035 148 S N 1.550 117.503 115.700 0.422 0.000 2.422 148 S HA 0.311 4.780 4.470 -0.001 0.000 0.298 148 S C 0.491 175.349 174.600 0.430 0.000 1.118 148 S CA -0.512 58.020 58.200 0.554 0.000 1.083 148 S CB -0.389 63.112 63.200 0.502 0.000 0.971 148 S HN 0.265 nan 8.310 nan 0.000 0.478 149 L N 4.488 125.959 121.223 0.412 0.000 2.483 149 L HA 0.207 4.546 4.340 -0.001 0.000 0.275 149 L C -2.094 175.048 176.870 0.453 0.000 1.220 149 L CA -1.834 53.173 54.840 0.278 0.000 0.833 149 L CB -0.253 41.833 42.059 0.045 0.000 1.102 149 L HN 0.303 nan 8.230 nan 0.000 0.490 150 P HA -0.045 nan 4.420 nan 0.000 0.263 150 P C 0.693 178.186 177.300 0.321 0.000 1.175 150 P CA 1.198 64.441 63.100 0.237 0.000 0.761 150 P CB 0.543 32.322 31.700 0.132 0.000 0.794 151 G N 1.241 110.113 108.800 0.120 0.000 2.195 151 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.246 151 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.246 151 G C -0.415 174.441 174.900 -0.074 0.000 0.984 151 G CA -0.384 44.722 45.100 0.011 0.000 0.633 151 G HN 0.448 nan 8.290 nan 0.000 0.525 152 Y N 1.462 121.817 120.300 0.092 0.000 2.377 152 Y HA 0.450 4.999 4.550 -0.001 0.000 0.339 152 Y C 1.746 177.603 175.900 -0.072 0.000 1.011 152 Y CA 0.480 58.600 58.100 0.032 0.000 1.093 152 Y CB 1.669 40.284 38.460 0.259 0.000 1.201 152 Y HN 0.854 nan 8.280 nan 0.000 0.455 153 T N -0.680 113.804 114.554 -0.117 0.000 12.544 153 T HA -0.423 3.927 4.350 -0.001 0.000 0.384 153 T C 0.759 175.171 174.700 -0.480 0.000 1.479 153 T CA 2.126 63.989 62.100 -0.395 0.000 2.168 153 T CB -1.314 67.348 68.868 -0.343 0.000 2.571 153 T HN 0.453 nan 8.240 nan 0.000 0.480 154 F N 2.759 122.653 119.950 -0.094 0.000 2.811 154 F HA 0.522 5.048 4.527 -0.001 0.000 0.301 154 F C 1.839 177.550 175.800 -0.148 0.000 1.151 154 F CA -0.073 57.786 58.000 -0.235 0.000 1.412 154 F CB -0.061 38.523 39.000 -0.694 0.000 1.113 154 F HN 0.287 nan 8.300 nan 0.000 0.579 155 S N -0.000 115.747 115.700 0.078 0.000 2.554 155 S HA 0.417 4.886 4.470 -0.001 0.000 0.278 155 S C 0.523 175.153 174.600 0.051 0.000 1.242 155 S CA -0.733 57.536 58.200 0.114 0.000 1.051 155 S CB 1.105 64.421 63.200 0.193 0.000 0.986 155 S HN 0.316 nan 8.310 nan 0.000 0.502 156 S N 2.550 118.266 115.700 0.027 0.000 2.607 156 S HA 0.882 5.351 4.470 -0.001 0.000 0.272 156 S C 0.763 175.314 174.600 -0.082 0.000 1.166 156 S CA 0.039 58.225 58.200 -0.023 0.000 1.021 156 S CB -0.085 63.105 63.200 -0.017 0.000 1.113 156 S HN 1.615 nan 8.310 nan 0.000 0.531 157 G N 0.135 108.853 108.800 -0.137 0.000 2.741 157 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.222 157 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.222 157 G C -3.184 171.544 174.900 -0.287 0.000 1.364 157 G CA -0.485 44.462 45.100 -0.255 0.000 0.866 157 G HN 0.786 nan 8.290 nan 0.000 0.555 158 P HA 0.361 nan 4.420 nan 0.000 0.275 158 P C -2.143 174.883 177.300 -0.458 0.000 1.270 158 P CA -0.770 61.879 63.100 -0.752 0.000 0.791 158 P CB -0.160 30.955 31.700 -0.976 0.000 1.089 159 P HA 0.079 nan 4.420 nan 0.000 0.268 159 P C 0.389 177.614 177.300 -0.126 0.000 1.208 159 P CA 0.386 63.369 63.100 -0.195 0.000 0.777 159 P CB 0.232 31.872 31.700 -0.100 0.000 0.875 160 L N 1.172 122.347 121.223 -0.080 0.000 2.416 160 L HA 0.016 4.356 4.340 -0.001 0.000 0.216 160 L C 1.018 177.874 176.870 -0.024 0.000 1.098 160 L CA 0.886 55.695 54.840 -0.053 0.000 0.840 160 L CB -0.434 41.599 42.059 -0.044 0.000 0.981 160 L HN 0.397 nan 8.230 nan 0.000 0.462 161 D N -0.166 120.226 120.400 -0.013 0.000 2.369 161 D HA 0.046 4.686 4.640 -0.001 0.000 0.211 161 D C 0.318 176.631 176.300 0.021 0.000 1.077 161 D CA -0.094 53.909 54.000 0.005 0.000 0.842 161 D CB 0.188 40.992 40.800 0.007 0.000 0.947 161 D HN 0.318 nan 8.370 nan 0.000 0.509 162 K N -1.246 119.173 120.400 0.031 0.000 2.575 162 K HA 0.353 4.673 4.320 -0.001 0.000 0.279 162 K C -1.415 175.236 176.600 0.084 0.000 0.969 162 K CA -0.918 55.403 56.287 0.057 0.000 0.868 162 K CB 1.382 33.925 32.500 0.072 0.000 1.457 162 K HN -0.273 nan 8.250 nan 0.000 0.426 163 D N 0.481 120.936 120.400 0.092 0.000 2.368 163 D HA 0.276 4.915 4.640 -0.001 0.000 0.240 163 D C -1.309 175.117 176.300 0.210 0.000 1.169 163 D CA 0.270 54.342 54.000 0.119 0.000 0.906 163 D CB 0.476 41.327 40.800 0.085 0.000 1.187 163 D HN 0.410 nan 8.370 nan 0.000 0.435 164 F N 0.414 120.376 119.950 0.019 0.000 2.574 164 F HA 0.553 5.080 4.527 -0.001 0.000 0.313 164 F C 0.256 176.149 175.800 0.156 0.000 1.130 164 F CA -0.281 57.737 58.000 0.030 0.000 0.936 164 F CB 1.830 40.761 39.000 -0.117 0.000 1.219 164 F HN 0.308 nan 8.300 nan 0.000 0.445 165 G N 4.080 112.820 108.800 -0.100 0.000 3.222 165 G HA2 0.372 4.331 3.960 -0.001 0.000 0.263 165 G HA3 0.372 4.331 3.960 -0.001 0.000 0.263 165 G C 0.289 175.161 174.900 -0.046 0.000 1.312 165 G CA -0.811 44.300 45.100 0.019 0.000 0.934 165 G HN 0.664 nan 8.290 nan 0.000 0.577 166 L N -0.570 120.645 121.223 -0.013 0.000 2.083 166 L HA -0.079 4.260 4.340 -0.001 0.000 0.209 166 L C 2.885 179.751 176.870 -0.007 0.000 1.083 166 L CA 1.363 56.206 54.840 0.005 0.000 0.752 166 L CB -0.252 41.827 42.059 0.033 0.000 0.899 166 L HN 0.498 nan 8.230 nan 0.000 0.433 167 M N -0.040 119.551 119.600 -0.015 0.000 2.175 167 M HA -0.190 4.290 4.480 -0.001 0.000 0.264 167 M C 1.726 177.999 176.300 -0.045 0.000 1.063 167 M CA 1.725 57.042 55.300 0.029 0.000 1.119 167 M CB -0.450 32.175 32.600 0.042 0.000 1.377 167 M HN 0.147 nan 8.290 nan 0.000 0.415 168 D N -0.295 119.951 120.400 -0.258 0.000 2.117 168 D HA -0.168 4.472 4.640 -0.001 0.000 0.197 168 D C 1.665 177.780 176.300 -0.308 0.000 0.987 168 D CA 1.135 54.829 54.000 -0.509 0.000 0.829 168 D CB -0.520 39.400 40.800 -1.466 0.000 0.961 168 D HN 0.524 nan 8.370 nan 0.000 0.460 169 N N 0.970 119.567 118.700 -0.172 0.000 2.120 169 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 169 N C 1.911 177.416 175.510 -0.009 0.000 1.024 169 N CA 1.101 54.200 53.050 0.081 0.000 0.852 169 N CB -0.008 38.568 38.487 0.148 0.000 1.003 169 N HN 0.081 nan 8.380 nan 0.000 0.424 170 A N 1.663 124.440 122.820 -0.072 0.000 1.902 170 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 170 A C 2.239 179.590 177.584 -0.388 0.000 1.181 170 A CA 1.171 53.067 52.037 -0.235 0.000 0.623 170 A CB -0.556 18.324 19.000 -0.200 0.000 0.818 170 A HN 0.239 nan 8.150 nan 0.000 0.443 171 R N -0.436 119.990 120.500 -0.124 0.000 2.081 171 R HA -0.102 4.237 4.340 -0.001 0.000 0.235 171 R C 1.904 178.201 176.300 -0.006 0.000 1.131 171 R CA 1.756 57.876 56.100 0.033 0.000 0.960 171 R CB -0.369 30.035 30.300 0.173 0.000 0.856 171 R HN 0.318 nan 8.270 nan 0.000 0.436 172 V N 0.098 120.022 119.914 0.016 0.000 2.358 172 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 172 V C 2.326 178.394 176.094 -0.044 0.000 1.047 172 V CA 1.498 63.824 62.300 0.043 0.000 1.035 172 V CB -0.111 31.799 31.823 0.144 0.000 0.658 172 V HN 0.189 nan 8.190 nan 0.000 0.452 173 V N 0.570 120.424 119.914 -0.099 0.000 2.295 173 V HA -0.303 3.817 4.120 -0.001 0.000 0.246 173 V C 2.314 178.262 176.094 -0.243 0.000 1.049 173 V CA 2.492 64.690 62.300 -0.171 0.000 1.024 173 V CB -0.696 31.022 31.823 -0.175 0.000 0.648 173 V HN 0.689 nan 8.190 nan 0.000 0.447 174 D N -0.578 119.674 120.400 -0.246 0.000 2.123 174 D HA -0.254 4.385 4.640 -0.001 0.000 0.196 174 D C 2.136 178.398 176.300 -0.063 0.000 0.992 174 D CA 1.505 55.421 54.000 -0.140 0.000 0.833 174 D CB -0.075 40.648 40.800 -0.128 0.000 0.954 174 D HN 0.373 nan 8.370 nan 0.000 0.455 175 Q N -0.286 119.488 119.800 -0.043 0.000 2.119 175 Q HA -0.071 4.269 4.340 -0.001 0.000 0.201 175 Q C 2.015 177.950 176.000 -0.107 0.000 0.972 175 Q CA 1.008 56.796 55.803 -0.025 0.000 0.847 175 Q CB -0.576 28.168 28.738 0.010 0.000 0.903 175 Q HN 0.443 nan 8.270 nan 0.000 0.433 176 L N -0.626 120.497 121.223 -0.167 0.000 2.017 176 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 176 L C 1.918 178.582 176.870 -0.343 0.000 1.073 176 L CA 1.824 56.501 54.840 -0.272 0.000 0.745 176 L CB -0.541 41.324 42.059 -0.323 0.000 0.894 176 L HN 0.263 nan 8.230 nan 0.000 0.432 177 M N -0.522 118.879 119.600 -0.330 0.000 2.159 177 M HA -0.210 4.269 4.480 -0.001 0.000 0.263 177 M C 2.259 178.438 176.300 -0.203 0.000 1.063 177 M CA 1.647 56.776 55.300 -0.284 0.000 1.110 177 M CB -1.091 31.134 32.600 -0.625 0.000 1.374 177 M HN 0.295 nan 8.290 nan 0.000 0.411 178 K N 0.033 120.361 120.400 -0.121 0.000 2.097 178 K HA -0.147 4.172 4.320 -0.001 0.000 0.205 178 K C 1.565 178.056 176.600 -0.182 0.000 1.050 178 K CA 1.151 57.398 56.287 -0.066 0.000 0.938 178 K CB -0.099 32.411 32.500 0.016 0.000 0.718 178 K HN 0.247 nan 8.250 nan 0.000 0.442 179 D N 0.927 121.196 120.400 -0.219 0.000 2.178 179 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 179 D C 1.555 177.619 176.300 -0.394 0.000 0.980 179 D CA 0.964 54.822 54.000 -0.237 0.000 0.842 179 D CB 0.011 40.696 40.800 -0.192 0.000 0.948 179 D HN 0.148 nan 8.370 nan 0.000 0.472 180 L N -0.578 120.274 121.223 -0.619 0.000 2.599 180 L HA 0.146 4.486 4.340 -0.001 0.000 0.230 180 L C 1.263 177.428 176.870 -1.174 0.000 1.141 180 L CA 0.378 54.625 54.840 -0.988 0.000 0.877 180 L CB -0.088 41.283 42.059 -1.146 0.000 1.009 180 L HN 0.117 nan 8.230 nan 0.000 0.447 181 G N -0.748 107.595 108.800 -0.762 0.000 2.130 181 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 181 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 181 G C 0.095 174.832 174.900 -0.272 0.000 0.999 181 G CA -0.391 44.418 45.100 -0.484 0.000 0.686 181 G HN 0.213 nan 8.290 nan 0.000 0.515 182 F N 1.154 121.087 119.950 -0.028 0.000 2.750 182 F HA 0.431 4.957 4.527 -0.001 0.000 0.297 182 F C 2.051 177.966 175.800 0.191 0.000 1.138 182 F CA -0.817 57.236 58.000 0.089 0.000 1.346 182 F CB 0.100 39.144 39.000 0.074 0.000 0.965 182 F HN 0.153 nan 8.300 nan 0.000 0.514 183 G N 0.135 109.082 108.800 0.246 0.000 2.470 183 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 183 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 183 G C 1.685 176.700 174.900 0.192 0.000 1.121 183 G CA 1.171 46.397 45.100 0.209 0.000 0.766 183 G HN 0.438 nan 8.290 nan 0.000 0.553 184 S N -0.759 115.063 115.700 0.203 0.000 2.561 184 S HA 0.456 4.925 4.470 -0.001 0.000 0.225 184 S C 0.935 175.636 174.600 0.169 0.000 0.977 184 S CA 0.503 58.796 58.200 0.155 0.000 0.926 184 S CB 0.101 63.391 63.200 0.151 0.000 0.769 184 S HN 1.345 nan 8.310 nan 0.000 0.533 185 G N 0.323 109.283 108.800 0.266 0.000 2.301 185 G HA2 0.403 4.362 3.960 -0.001 0.000 0.290 185 G HA3 0.403 4.362 3.960 -0.001 0.000 0.290 185 G C -1.294 173.869 174.900 0.437 0.000 1.669 185 G CA -0.595 44.666 45.100 0.269 0.000 0.945 185 G HN 0.832 nan 8.290 nan 0.000 0.710 186 Y N -0.581 119.885 120.300 0.276 0.000 2.638 186 Y HA 0.851 5.401 4.550 -0.001 0.000 0.335 186 Y C -0.839 175.112 175.900 0.086 0.000 1.155 186 Y CA -1.905 56.231 58.100 0.061 0.000 1.046 186 Y CB 1.094 39.538 38.460 -0.027 0.000 1.303 186 Y HN 0.631 nan 8.280 nan 0.000 0.460 187 I N 2.482 123.149 120.570 0.161 0.000 2.693 187 I HA 0.560 4.730 4.170 -0.001 0.000 0.303 187 I C -0.842 175.371 176.117 0.161 0.000 1.025 187 I CA -1.103 60.274 61.300 0.128 0.000 1.086 187 I CB 2.223 40.231 38.000 0.014 0.000 1.268 187 I HN 0.564 nan 8.210 nan 0.000 0.440 188 I N 3.639 124.306 120.570 0.162 0.000 2.569 188 I HA 0.329 4.498 4.170 -0.001 0.000 0.296 188 I C -0.602 175.559 176.117 0.075 0.000 1.028 188 I CA -0.637 60.725 61.300 0.103 0.000 1.082 188 I CB 1.904 39.984 38.000 0.134 0.000 1.264 188 I HN 0.418 nan 8.210 nan 0.000 0.429 189 Q N 3.880 123.686 119.800 0.009 0.000 2.330 189 Q HA 0.729 5.069 4.340 -0.001 0.000 0.269 189 Q C -1.076 174.966 176.000 0.071 0.000 1.022 189 Q CA -0.603 55.232 55.803 0.053 0.000 0.796 189 Q CB 2.318 31.042 28.738 -0.025 0.000 1.271 189 Q HN 0.899 nan 8.270 nan 0.000 0.450 190 G N 0.793 109.665 108.800 0.120 0.000 2.733 190 G HA2 0.724 4.683 3.960 -0.001 0.000 0.297 190 G HA3 0.724 4.683 3.960 -0.001 0.000 0.297 190 G C -1.235 173.724 174.900 0.098 0.000 1.422 190 G CA -0.187 44.985 45.100 0.121 0.000 0.942 190 G HN 0.620 nan 8.290 nan 0.000 0.510 191 G N -0.437 108.425 108.800 0.102 0.000 2.642 191 G HA2 0.628 4.587 3.960 -0.001 0.000 0.293 191 G HA3 0.628 4.587 3.960 -0.001 0.000 0.293 191 G C -0.304 174.635 174.900 0.065 0.000 1.341 191 G CA 0.648 45.753 45.100 0.009 0.000 0.916 191 G HN 1.004 nan 8.290 nan 0.000 0.474 192 D N -1.092 119.353 120.400 0.075 0.000 3.417 192 D HA -0.291 4.348 4.640 -0.001 0.000 0.163 192 D C 1.889 178.392 176.300 0.337 0.000 1.070 192 D CA 2.167 56.319 54.000 0.254 0.000 1.047 192 D CB -0.804 40.178 40.800 0.303 0.000 0.514 192 D HN 0.302 nan 8.370 nan 0.000 0.532 193 I N -0.083 120.658 120.570 0.284 0.000 2.335 193 I HA -0.128 4.041 4.170 -0.001 0.000 0.251 193 I C 2.408 178.649 176.117 0.206 0.000 1.129 193 I CA 1.462 62.882 61.300 0.200 0.000 1.402 193 I CB -0.675 37.383 38.000 0.097 0.000 1.069 193 I HN 0.481 nan 8.210 nan 0.000 0.424 194 G N 0.373 109.254 108.800 0.136 0.000 2.470 194 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.220 194 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.220 194 G C 1.771 176.741 174.900 0.117 0.000 1.121 194 G CA 1.017 46.167 45.100 0.084 0.000 0.766 194 G HN 0.532 nan 8.290 nan 0.000 0.553 195 S N -0.164 115.630 115.700 0.156 0.000 2.436 195 S HA 0.081 4.551 4.470 -0.001 0.000 0.228 195 S C 1.995 176.614 174.600 0.033 0.000 1.014 195 S CA 0.476 58.723 58.200 0.079 0.000 0.950 195 S CB -0.430 62.795 63.200 0.040 0.000 0.784 195 S HN 0.186 nan 8.310 nan 0.000 0.504 196 F N 1.880 121.844 119.950 0.022 0.000 2.163 196 F HA 0.089 4.616 4.527 -0.001 0.000 0.297 196 F C 2.603 178.404 175.800 0.002 0.000 1.094 196 F CA 0.763 58.768 58.000 0.008 0.000 1.290 196 F CB -0.655 38.342 39.000 -0.005 0.000 1.017 196 F HN 0.057 nan 8.300 nan 0.000 0.483 197 V N -0.228 119.803 119.914 0.196 0.000 2.358 197 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 197 V C 2.672 178.794 176.094 0.047 0.000 1.047 197 V CA 1.955 64.308 62.300 0.089 0.000 1.035 197 V CB -1.518 30.331 31.823 0.044 0.000 0.658 197 V HN 0.464 nan 8.190 nan 0.000 0.452 198 G N -0.217 108.611 108.800 0.048 0.000 2.440 198 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.218 198 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.218 198 G C 1.714 176.623 174.900 0.015 0.000 1.154 198 G CA 1.025 46.146 45.100 0.036 0.000 0.767 198 G HN 0.458 nan 8.290 nan 0.000 0.552 199 R N -0.037 120.452 120.500 -0.018 0.000 2.081 199 R HA 0.088 4.427 4.340 -0.001 0.000 0.235 199 R C 2.505 178.802 176.300 -0.006 0.000 1.131 199 R CA 0.934 56.988 56.100 -0.077 0.000 0.960 199 R CB -0.349 29.867 30.300 -0.141 0.000 0.856 199 R HN 0.388 nan 8.270 nan 0.000 0.436 200 L N 0.610 121.866 121.223 0.055 0.000 2.083 200 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 200 L C 2.379 179.388 176.870 0.231 0.000 1.083 200 L CA 1.033 55.954 54.840 0.134 0.000 0.752 200 L CB -0.341 41.810 42.059 0.154 0.000 0.899 200 L HN 0.291 nan 8.230 nan 0.000 0.433 201 L N -0.585 120.717 121.223 0.130 0.000 2.056 201 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 201 L C 2.647 179.640 176.870 0.205 0.000 1.078 201 L CA 1.332 56.259 54.840 0.144 0.000 0.749 201 L CB -0.946 41.118 42.059 0.009 0.000 0.901 201 L HN 0.280 nan 8.230 nan 0.000 0.433 202 G N -0.820 108.042 108.800 0.103 0.000 2.422 202 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 202 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 202 G C 1.555 176.500 174.900 0.075 0.000 1.140 202 G CA 0.763 45.901 45.100 0.063 0.000 0.775 202 G HN 0.183 nan 8.290 nan 0.000 0.545 203 V N 0.561 120.525 119.914 0.084 0.000 2.346 203 V HA 0.135 4.254 4.120 -0.001 0.000 0.244 203 V C 2.554 178.710 176.094 0.103 0.000 1.037 203 V CA 1.998 64.350 62.300 0.088 0.000 1.029 203 V CB -0.190 31.671 31.823 0.063 0.000 0.663 203 V HN 0.437 nan 8.190 nan 0.000 0.454 204 G N -1.922 106.962 108.800 0.140 0.000 3.441 204 G HA2 0.274 4.233 3.960 -0.001 0.000 0.263 204 G HA3 0.274 4.233 3.960 -0.001 0.000 0.263 204 G C -0.218 174.545 174.900 -0.228 0.000 1.014 204 G CA -0.050 45.029 45.100 -0.036 0.000 0.833 204 G HN 0.329 nan 8.290 nan 0.000 0.514 205 F N 0.899 120.866 119.950 0.028 0.000 2.445 205 F HA 0.384 4.910 4.527 -0.001 0.000 0.348 205 F C 0.470 176.267 175.800 -0.006 0.000 1.125 205 F CA -1.307 56.712 58.000 0.032 0.000 0.983 205 F CB 2.022 41.069 39.000 0.078 0.000 1.198 205 F HN -0.137 nan 8.300 nan 0.000 0.436 206 D N 2.121 122.577 120.400 0.092 0.000 2.178 206 D HA -0.151 4.489 4.640 -0.001 0.000 0.201 206 D C 2.151 178.449 176.300 -0.002 0.000 0.980 206 D CA 1.370 55.390 54.000 0.034 0.000 0.842 206 D CB 0.071 40.878 40.800 0.011 0.000 0.948 206 D HN 0.572 nan 8.370 nan 0.000 0.472 207 A N -0.127 122.707 122.820 0.023 0.000 2.067 207 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 207 A C 1.344 178.613 177.584 -0.525 0.000 1.158 207 A CA 0.349 52.336 52.037 -0.084 0.000 0.661 207 A CB -0.484 18.611 19.000 0.158 0.000 0.801 207 A HN 0.397 nan 8.150 nan 0.000 0.452 208 C N 1.602 120.587 119.300 -0.526 0.000 2.540 208 C HA 0.399 4.858 4.460 -0.001 0.000 0.377 208 C C 1.376 176.226 174.990 -0.233 0.000 1.274 208 C CA -0.678 57.954 59.018 -0.644 0.000 1.718 208 C CB -0.601 27.005 27.740 -0.223 0.000 2.391 208 C HN 0.437 nan 8.230 nan 0.000 0.565 209 K N 3.776 124.077 120.400 -0.164 0.000 2.323 209 K HA 0.315 4.635 4.320 -0.001 0.000 0.197 209 K C 0.588 177.222 176.600 0.056 0.000 1.043 209 K CA 0.740 57.010 56.287 -0.028 0.000 0.997 209 K CB 0.118 32.618 32.500 -0.001 0.000 0.807 209 K HN 0.797 nan 8.250 nan 0.000 0.497 210 A N 0.101 122.992 122.820 0.119 0.000 2.608 210 A HA 0.618 4.937 4.320 -0.001 0.000 0.292 210 A C -1.480 176.292 177.584 0.314 0.000 1.066 210 A CA -0.640 51.544 52.037 0.244 0.000 0.676 210 A CB 1.612 20.751 19.000 0.232 0.000 1.277 210 A HN -0.146 nan 8.150 nan 0.000 0.413 211 V N 2.318 122.480 119.914 0.414 0.000 2.686 211 V HA 0.507 4.627 4.120 -0.001 0.000 0.306 211 V C -0.929 175.283 176.094 0.197 0.000 1.065 211 V CA -0.526 61.948 62.300 0.289 0.000 0.894 211 V CB 1.872 33.794 31.823 0.164 0.000 1.004 211 V HN 0.986 nan 8.190 nan 0.000 0.424 212 H N 5.612 124.630 119.070 -0.087 0.000 2.589 212 H HA 0.722 5.278 4.556 -0.001 0.000 0.335 212 H C -1.778 173.488 175.328 -0.102 0.000 1.019 212 H CA -0.424 55.404 56.048 -0.366 0.000 1.213 212 H CB 1.631 31.016 29.762 -0.629 0.000 1.472 212 H HN 0.552 nan 8.280 nan 0.000 0.508 213 L N 3.716 124.715 121.223 -0.374 0.000 2.323 213 L HA 0.330 4.669 4.340 -0.001 0.000 0.265 213 L C 0.556 177.039 176.870 -0.645 0.000 1.012 213 L CA -0.826 53.900 54.840 -0.189 0.000 0.820 213 L CB 1.979 44.139 42.059 0.168 0.000 1.334 213 L HN 0.711 nan 8.230 nan 0.000 0.427 214 N N 0.596 119.034 118.700 -0.438 0.000 2.241 214 N HA 0.389 5.129 4.740 -0.001 0.000 0.238 214 N C -0.855 174.450 175.510 -0.342 0.000 1.244 214 N CA -0.329 52.336 53.050 -0.642 0.000 0.880 214 N CB 0.875 39.251 38.487 -0.186 0.000 1.179 214 N HN 0.340 nan 8.380 nan 0.000 0.513 215 L N -0.048 121.155 121.223 -0.034 0.000 2.543 215 L HA 0.565 4.904 4.340 -0.001 0.000 0.265 215 L C -1.771 175.303 176.870 0.341 0.000 0.945 215 L CA -0.767 54.188 54.840 0.191 0.000 0.869 215 L CB 2.064 44.160 42.059 0.062 0.000 1.294 215 L HN 0.247 nan 8.230 nan 0.000 0.405 216 C N 5.333 124.832 119.300 0.331 0.000 3.328 216 C HA 0.820 5.280 4.460 -0.001 0.000 0.230 216 C C 0.547 175.578 174.990 0.070 0.000 1.232 216 C CA -0.308 58.800 59.018 0.149 0.000 1.431 216 C CB -0.568 27.214 27.740 0.070 0.000 1.818 216 C HN 1.024 nan 8.230 nan 0.000 0.484 217 A N 6.564 129.389 122.820 0.008 0.000 2.491 217 A HA 0.603 4.922 4.320 -0.001 0.000 0.261 217 A C -0.021 177.601 177.584 0.063 0.000 1.101 217 A CA 0.676 52.759 52.037 0.076 0.000 0.772 217 A CB -0.048 19.041 19.000 0.149 0.000 1.043 217 A HN 1.193 nan 8.150 nan 0.000 0.501 218 M N 1.599 121.275 119.600 0.127 0.000 2.833 218 M HA 0.616 5.095 4.480 -0.001 0.000 0.270 218 M C -1.064 175.324 176.300 0.146 0.000 1.209 218 M CA -0.860 54.503 55.300 0.105 0.000 0.826 218 M CB 1.411 34.058 32.600 0.078 0.000 1.657 218 M HN 0.513 nan 8.290 nan 0.000 0.492 219 R N 0.689 121.213 120.500 0.041 0.000 2.705 219 R HA 0.860 5.199 4.340 -0.001 0.000 0.246 219 R C -0.185 175.926 176.300 -0.315 0.000 1.142 219 R CA -0.603 55.491 56.100 -0.009 0.000 1.114 219 R CB 1.145 31.427 30.300 -0.030 0.000 1.256 219 R HN 0.825 nan 8.270 nan 0.000 0.536 220 A N 2.097 124.629 122.820 -0.481 0.000 2.546 220 A HA 0.182 4.502 4.320 -0.001 0.000 0.243 220 A C -1.990 175.158 177.584 -0.726 0.000 1.063 220 A CA -0.799 50.605 52.037 -1.055 0.000 0.757 220 A CB -0.645 18.052 19.000 -0.506 0.000 0.991 220 A HN 0.349 nan 8.150 nan 0.000 0.503 221 P HA 0.073 nan 4.420 nan 0.000 0.266 221 P C -1.766 175.358 177.300 -0.293 0.000 1.193 221 P CA -0.742 62.072 63.100 -0.476 0.000 0.770 221 P CB 0.083 31.499 31.700 -0.473 0.000 0.836 222 P HA -0.127 nan 4.420 nan 0.000 0.199 222 P C -0.084 177.151 177.300 -0.109 0.000 1.118 222 P CA 1.349 64.375 63.100 -0.124 0.000 0.913 222 P CB -0.018 31.628 31.700 -0.089 0.000 0.738 223 E N -0.506 119.642 120.200 -0.087 0.000 2.434 223 E HA 0.410 4.760 4.350 -0.001 0.000 0.243 223 E C 0.488 177.048 176.600 -0.068 0.000 1.250 223 E CA -0.395 55.964 56.400 -0.068 0.000 1.568 223 E CB -0.165 29.505 29.700 -0.051 0.000 1.435 223 E HN 0.226 nan 8.360 nan 0.000 0.432 224 G N 1.110 109.853 108.800 -0.095 0.000 3.262 224 G HA2 0.413 4.372 3.960 -0.001 0.000 0.229 224 G HA3 0.413 4.372 3.960 -0.001 0.000 0.229 224 G C -2.363 172.498 174.900 -0.066 0.000 1.280 224 G CA -1.104 43.948 45.100 -0.081 0.000 0.951 224 G HN 0.054 nan 8.290 nan 0.000 0.589 225 P HA 0.187 nan 4.420 nan 0.000 0.267 225 P C 0.127 177.486 177.300 0.099 0.000 1.209 225 P CA 0.129 63.269 63.100 0.068 0.000 0.763 225 P CB 1.092 32.894 31.700 0.171 0.000 0.816 226 S N 2.671 118.436 115.700 0.107 0.000 2.669 226 S HA 0.227 4.697 4.470 -0.001 0.000 0.270 226 S C 1.412 176.163 174.600 0.252 0.000 1.225 226 S CA -0.908 57.368 58.200 0.128 0.000 0.991 226 S CB 0.875 64.112 63.200 0.062 0.000 0.987 226 S HN 0.545 nan 8.310 nan 0.000 0.552 227 I N 0.964 121.691 120.570 0.263 0.000 2.361 227 I HA -0.196 3.974 4.170 -0.001 0.000 0.251 227 I C 2.442 178.622 176.117 0.106 0.000 1.133 227 I CA 1.823 63.261 61.300 0.231 0.000 1.413 227 I CB -0.417 37.703 38.000 0.201 0.000 1.073 227 I HN 0.957 nan 8.210 nan 0.000 0.424 228 E N 0.402 120.651 120.200 0.083 0.000 2.338 228 E HA -0.185 4.164 4.350 -0.001 0.000 0.197 228 E C 1.730 178.349 176.600 0.032 0.000 1.007 228 E CA 1.242 57.669 56.400 0.045 0.000 0.849 228 E CB -0.381 29.340 29.700 0.036 0.000 0.774 228 E HN 0.585 nan 8.360 nan 0.000 0.506 229 S N 0.423 116.152 115.700 0.048 0.000 2.605 229 S HA 0.184 4.654 4.470 -0.001 0.000 0.217 229 S C 0.696 175.298 174.600 0.002 0.000 0.958 229 S CA -0.534 57.683 58.200 0.028 0.000 0.919 229 S CB -0.308 62.918 63.200 0.044 0.000 0.780 229 S HN 0.124 nan 8.310 nan 0.000 0.507 230 L N 2.401 123.619 121.223 -0.009 0.000 2.360 230 L HA 0.525 4.864 4.340 -0.001 0.000 0.271 230 L C 0.819 177.647 176.870 -0.069 0.000 1.057 230 L CA -0.845 53.953 54.840 -0.070 0.000 0.803 230 L CB 1.501 43.486 42.059 -0.122 0.000 1.207 230 L HN 0.260 nan 8.230 nan 0.000 0.445 231 S N 0.800 116.445 115.700 -0.093 0.000 2.634 231 S HA 0.331 4.801 4.470 -0.001 0.000 0.261 231 S C 1.099 175.659 174.600 -0.068 0.000 1.271 231 S CA -0.088 58.067 58.200 -0.075 0.000 0.985 231 S CB 1.323 64.470 63.200 -0.087 0.000 0.968 231 S HN 0.703 nan 8.310 nan 0.000 0.568 232 A N 1.182 123.973 122.820 -0.050 0.000 1.883 232 A HA 0.111 4.430 4.320 -0.001 0.000 0.217 232 A C 2.432 179.992 177.584 -0.041 0.000 1.186 232 A CA 2.003 54.018 52.037 -0.037 0.000 0.624 232 A CB -1.788 17.196 19.000 -0.026 0.000 0.822 232 A HN 1.347 nan 8.150 nan 0.000 0.444 233 A N -0.179 122.612 122.820 -0.047 0.000 1.902 233 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 233 A C 1.912 179.461 177.584 -0.058 0.000 1.181 233 A CA 1.649 53.663 52.037 -0.040 0.000 0.623 233 A CB -0.582 18.392 19.000 -0.043 0.000 0.818 233 A HN 0.649 nan 8.150 nan 0.000 0.443 234 E N -0.175 119.959 120.200 -0.110 0.000 2.153 234 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 234 E C 1.984 178.492 176.600 -0.152 0.000 0.988 234 E CA 1.212 57.511 56.400 -0.168 0.000 0.811 234 E CB -0.150 29.404 29.700 -0.243 0.000 0.746 234 E HN 0.578 nan 8.360 nan 0.000 0.466 235 K N 0.861 121.197 120.400 -0.107 0.000 2.148 235 K HA -0.125 4.194 4.320 -0.001 0.000 0.204 235 K C 1.991 178.565 176.600 -0.043 0.000 1.050 235 K CA 0.929 57.170 56.287 -0.077 0.000 0.942 235 K CB 0.030 32.504 32.500 -0.044 0.000 0.724 235 K HN 0.136 nan 8.250 nan 0.000 0.446 236 E N -0.100 120.084 120.200 -0.027 0.000 2.110 236 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 236 E C 2.107 178.712 176.600 0.009 0.000 0.988 236 E CA 0.964 57.363 56.400 -0.002 0.000 0.804 236 E CB -0.081 29.623 29.700 0.008 0.000 0.745 236 E HN 0.428 nan 8.360 nan 0.000 0.458 237 G N 1.309 110.113 108.800 0.007 0.000 2.402 237 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 237 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 237 G C 1.586 176.487 174.900 0.000 0.000 1.162 237 G CA 0.367 45.490 45.100 0.038 0.000 0.777 237 G HN 0.123 nan 8.290 nan 0.000 0.539 238 I N 1.313 121.846 120.570 -0.061 0.000 2.361 238 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 238 I C 3.227 179.357 176.117 0.022 0.000 1.133 238 I CA 0.788 62.055 61.300 -0.055 0.000 1.413 238 I CB -0.117 37.812 38.000 -0.119 0.000 1.073 238 I HN 0.259 nan 8.210 nan 0.000 0.424 239 A N 0.929 123.760 122.820 0.019 0.000 1.898 239 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 239 A C 2.390 180.006 177.584 0.053 0.000 1.181 239 A CA 1.276 53.335 52.037 0.037 0.000 0.620 239 A CB -0.480 18.535 19.000 0.026 0.000 0.819 239 A HN 0.301 nan 8.150 nan 0.000 0.442 240 R N -1.297 119.231 120.500 0.047 0.000 2.096 240 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 240 R C 2.303 178.659 176.300 0.093 0.000 1.127 240 R CA 1.572 57.706 56.100 0.057 0.000 0.968 240 R CB -0.415 29.904 30.300 0.031 0.000 0.861 240 R HN 0.695 nan 8.270 nan 0.000 0.440 241 M N 0.786 120.440 119.600 0.091 0.000 2.132 241 M HA -0.138 4.341 4.480 -0.001 0.000 0.263 241 M C 1.665 178.079 176.300 0.190 0.000 1.065 241 M CA 1.623 57.011 55.300 0.148 0.000 1.122 241 M CB 0.135 32.813 32.600 0.130 0.000 1.365 241 M HN -0.058 nan 8.290 nan 0.000 0.411 242 E N 0.604 120.885 120.200 0.135 0.000 2.153 242 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 242 E C 1.857 178.519 176.600 0.103 0.000 0.988 242 E CA 1.085 57.554 56.400 0.115 0.000 0.811 242 E CB -0.313 29.441 29.700 0.091 0.000 0.746 242 E HN 0.566 nan 8.360 nan 0.000 0.466 243 K N -0.156 120.311 120.400 0.111 0.000 2.057 243 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 243 K C 2.123 178.803 176.600 0.133 0.000 1.050 243 K CA 0.784 57.131 56.287 0.100 0.000 0.935 243 K CB -0.210 32.346 32.500 0.092 0.000 0.715 243 K HN 0.022 nan 8.250 nan 0.000 0.439 244 F N 1.473 121.444 119.950 0.035 0.000 2.134 244 F HA -0.179 4.347 4.527 -0.001 0.000 0.299 244 F C 1.917 177.753 175.800 0.060 0.000 1.097 244 F CA 1.332 59.358 58.000 0.043 0.000 1.264 244 F CB -0.104 38.898 39.000 0.003 0.000 1.001 244 F HN -0.009 nan 8.300 nan 0.000 0.479 245 M N -0.587 118.987 119.600 -0.043 0.000 2.374 245 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 245 M C 2.167 178.393 176.300 -0.123 0.000 1.067 245 M CA 1.599 56.815 55.300 -0.139 0.000 1.103 245 M CB -1.688 30.932 32.600 0.034 0.000 1.402 245 M HN 0.323 nan 8.290 nan 0.000 0.444 246 T N -1.372 113.146 114.554 -0.060 0.000 3.046 246 T HA -0.030 4.319 4.350 -0.001 0.000 0.242 246 T C 1.237 175.916 174.700 -0.034 0.000 1.018 246 T CA 1.116 63.196 62.100 -0.034 0.000 1.131 246 T CB 0.228 69.101 68.868 0.007 0.000 0.904 246 T HN 0.310 nan 8.240 nan 0.000 0.459 247 D N -0.713 119.676 120.400 -0.019 0.000 2.423 247 D HA 0.276 4.916 4.640 -0.001 0.000 0.208 247 D C 1.642 177.944 176.300 0.002 0.000 1.068 247 D CA 0.557 54.561 54.000 0.007 0.000 0.860 247 D CB 0.118 40.940 40.800 0.036 0.000 0.992 247 D HN 0.418 nan 8.370 nan 0.000 0.504 248 G N -0.190 108.578 108.800 -0.054 0.000 3.324 248 G HA2 0.143 4.102 3.960 -0.001 0.000 0.251 248 G HA3 0.143 4.102 3.960 -0.001 0.000 0.251 248 G C 0.901 175.707 174.900 -0.156 0.000 1.072 248 G CA -0.179 44.919 45.100 -0.005 0.000 0.787 248 G HN 0.260 nan 8.290 nan 0.000 0.537 249 L N 0.618 121.648 121.223 -0.323 0.000 2.640 249 L HA 0.257 4.596 4.340 -0.001 0.000 0.230 249 L C 2.729 179.427 176.870 -0.287 0.000 1.123 249 L CA 0.315 54.924 54.840 -0.386 0.000 0.900 249 L CB 0.296 42.081 42.059 -0.457 0.000 1.146 249 L HN 0.270 nan 8.230 nan 0.000 0.484 250 A N 0.656 123.402 122.820 -0.124 0.000 1.917 250 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 250 A C 2.043 179.531 177.584 -0.160 0.000 1.182 250 A CA 2.160 54.136 52.037 -0.101 0.000 0.633 250 A CB -0.779 18.208 19.000 -0.022 0.000 0.819 250 A HN 0.619 nan 8.150 nan 0.000 0.448 251 Y N -0.945 119.202 120.300 -0.254 0.000 2.165 251 Y HA -0.003 4.546 4.550 -0.001 0.000 0.286 251 Y C 2.369 177.960 175.900 -0.515 0.000 1.155 251 Y CA 0.788 58.654 58.100 -0.391 0.000 1.164 251 Y CB -1.148 36.903 38.460 -0.682 0.000 0.978 251 Y HN 0.209 nan 8.280 nan 0.000 0.513 252 A N 1.099 122.878 122.820 -1.735 0.000 1.929 252 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 252 A C 2.161 179.457 177.584 -0.480 0.000 1.176 252 A CA 1.776 53.078 52.037 -1.225 0.000 0.628 252 A CB -0.627 17.837 19.000 -0.893 0.000 0.816 252 A HN 0.499 nan 8.150 nan 0.000 0.444 253 M N -0.700 118.695 119.600 -0.342 0.000 2.175 253 M HA -0.095 4.384 4.480 -0.001 0.000 0.264 253 M C 1.961 178.222 176.300 -0.064 0.000 1.063 253 M CA 1.774 56.990 55.300 -0.141 0.000 1.119 253 M CB -1.122 31.416 32.600 -0.103 0.000 1.377 253 M HN 0.575 nan 8.290 nan 0.000 0.415 254 E N -0.139 120.037 120.200 -0.041 0.000 2.072 254 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 254 E C 1.831 178.499 176.600 0.114 0.000 0.982 254 E CA 1.541 57.992 56.400 0.085 0.000 0.803 254 E CB -0.251 29.593 29.700 0.240 0.000 0.755 254 E HN 0.618 nan 8.360 nan 0.000 0.453 255 H N -0.979 118.036 119.070 -0.092 0.000 2.352 255 H HA -0.094 4.461 4.556 -0.001 0.000 0.299 255 H C 2.155 177.421 175.328 -0.103 0.000 1.097 255 H CA 1.034 56.952 56.048 -0.217 0.000 1.311 255 H CB 0.054 29.381 29.762 -0.726 0.000 1.377 255 H HN 0.168 nan 8.280 nan 0.000 0.504 256 S N -0.026 115.721 115.700 0.078 0.000 2.357 256 S HA -0.141 4.328 4.470 -0.001 0.000 0.221 256 S C 2.414 177.043 174.600 0.049 0.000 1.031 256 S CA 1.769 60.017 58.200 0.080 0.000 0.982 256 S CB -0.289 62.946 63.200 0.057 0.000 0.853 256 S HN 0.627 nan 8.310 nan 0.000 0.458 257 T N -1.310 113.265 114.554 0.035 0.000 3.009 257 T HA 0.259 4.609 4.350 -0.001 0.000 0.258 257 T C 1.008 175.729 174.700 0.035 0.000 1.063 257 T CA 0.125 62.244 62.100 0.031 0.000 1.139 257 T CB -0.016 68.866 68.868 0.024 0.000 0.890 257 T HN 0.125 nan 8.240 nan 0.000 0.471 258 R N 1.399 121.925 120.500 0.043 0.000 2.701 258 R HA 0.282 4.621 4.340 -0.001 0.000 0.281 258 R C -2.209 174.115 176.300 0.040 0.000 1.367 258 R CA -1.755 54.370 56.100 0.043 0.000 1.510 258 R CB 0.863 31.191 30.300 0.047 0.000 1.306 258 R HN 0.346 nan 8.270 nan 0.000 0.682 259 P HA -0.151 nan 4.420 nan 0.000 0.218 259 P C 1.399 178.683 177.300 -0.026 0.000 1.148 259 P CA 1.117 64.203 63.100 -0.024 0.000 0.822 259 P CB 0.474 32.149 31.700 -0.043 0.000 0.784 260 S N -0.995 114.709 115.700 0.006 0.000 2.368 260 S HA -0.100 4.370 4.470 -0.001 0.000 0.224 260 S C 1.994 176.657 174.600 0.105 0.000 1.029 260 S CA 1.992 60.209 58.200 0.028 0.000 0.988 260 S CB -1.128 62.120 63.200 0.079 0.000 0.838 260 S HN 0.166 nan 8.310 nan 0.000 0.462 261 T N 2.140 116.754 114.554 0.101 0.000 2.674 261 T HA -0.053 4.296 4.350 -0.001 0.000 0.265 261 T C 1.713 176.455 174.700 0.069 0.000 1.039 261 T CA 1.478 63.642 62.100 0.107 0.000 1.150 261 T CB -0.455 68.450 68.868 0.061 0.000 0.864 261 T HN 0.369 nan 8.240 nan 0.000 0.427 262 I N 1.590 122.176 120.570 0.028 0.000 2.493 262 I HA 0.035 4.205 4.170 -0.001 0.000 0.254 262 I C 2.371 178.519 176.117 0.051 0.000 1.160 262 I CA 0.833 62.107 61.300 -0.044 0.000 1.445 262 I CB -0.881 37.089 38.000 -0.050 0.000 1.086 262 I HN 0.250 nan 8.210 nan 0.000 0.433 263 G N -0.505 108.359 108.800 0.108 0.000 2.418 263 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 263 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 263 G C 1.671 176.558 174.900 -0.022 0.000 1.158 263 G CA 0.897 46.059 45.100 0.105 0.000 0.771 263 G HN 0.462 nan 8.290 nan 0.000 0.545 264 H N -0.109 118.977 119.070 0.027 0.000 2.395 264 H HA 0.019 4.574 4.556 -0.001 0.000 0.299 264 H C 2.881 178.201 175.328 -0.014 0.000 1.070 264 H CA 1.138 57.188 56.048 0.003 0.000 1.356 264 H CB -0.324 29.436 29.762 -0.004 0.000 1.401 264 H HN 0.180 nan 8.280 nan 0.000 0.524 265 V N 1.468 121.424 119.914 0.070 0.000 2.255 265 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 265 V C 2.687 178.745 176.094 -0.060 0.000 1.051 265 V CA 1.481 63.771 62.300 -0.018 0.000 1.018 265 V CB -0.560 31.203 31.823 -0.101 0.000 0.641 265 V HN 0.290 nan 8.190 nan 0.000 0.445 266 L N -0.446 120.673 121.223 -0.173 0.000 2.478 266 L HA -0.022 4.317 4.340 -0.001 0.000 0.223 266 L C 2.239 179.136 176.870 0.046 0.000 1.140 266 L CA 0.775 55.494 54.840 -0.201 0.000 0.842 266 L CB -0.381 41.257 42.059 -0.702 0.000 0.953 266 L HN 0.289 nan 8.230 nan 0.000 0.452 267 S N -0.646 115.093 115.700 0.065 0.000 2.501 267 S HA -0.066 4.404 4.470 -0.001 0.000 0.220 267 S C 2.142 176.844 174.600 0.170 0.000 0.997 267 S CA 0.889 59.128 58.200 0.066 0.000 0.919 267 S CB 0.151 63.336 63.200 -0.026 0.000 0.778 267 S HN 0.574 nan 8.310 nan 0.000 0.523 268 S N 0.813 116.621 115.700 0.181 0.000 2.383 268 S HA 0.075 4.544 4.470 -0.001 0.000 0.227 268 S C 0.849 175.603 174.600 0.257 0.000 1.026 268 S CA 0.547 58.856 58.200 0.183 0.000 0.981 268 S CB -0.060 63.202 63.200 0.103 0.000 0.818 268 S HN 0.286 nan 8.310 nan 0.000 0.472 269 S N 0.771 116.624 115.700 0.255 0.000 2.536 269 S HA 0.525 4.994 4.470 -0.001 0.000 0.271 269 S C -2.539 171.991 174.600 -0.116 0.000 1.134 269 S CA -1.399 56.833 58.200 0.053 0.000 0.897 269 S CB 2.029 65.219 63.200 -0.016 0.000 1.094 269 S HN 0.031 nan 8.310 nan 0.000 0.473 270 P HA -0.006 nan 4.420 nan 0.000 0.221 270 P C 1.430 178.661 177.300 -0.115 0.000 1.150 270 P CA 0.594 63.233 63.100 -0.768 0.000 0.800 270 P CB 0.006 30.819 31.700 -1.479 0.000 0.787 271 I N 0.265 120.768 120.570 -0.112 0.000 2.439 271 I HA -0.101 4.068 4.170 -0.001 0.000 0.251 271 I C 2.511 178.676 176.117 0.079 0.000 1.139 271 I CA 0.943 62.271 61.300 0.046 0.000 1.438 271 I CB -1.759 36.233 38.000 -0.013 0.000 1.085 271 I HN -0.073 nan 8.210 nan 0.000 0.427 272 A N 0.823 123.676 122.820 0.054 0.000 1.877 272 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 272 A C 2.319 179.965 177.584 0.104 0.000 1.186 272 A CA 1.377 53.459 52.037 0.075 0.000 0.620 272 A CB -0.892 18.131 19.000 0.040 0.000 0.822 272 A HN 0.356 nan 8.150 nan 0.000 0.443 273 L N -0.767 120.526 121.223 0.116 0.000 2.046 273 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 273 L C 2.252 179.220 176.870 0.162 0.000 1.077 273 L CA 1.915 56.839 54.840 0.140 0.000 0.747 273 L CB -0.529 41.693 42.059 0.271 0.000 0.896 273 L HN 0.382 nan 8.230 nan 0.000 0.432 274 L N -0.248 121.063 121.223 0.146 0.000 2.046 274 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 274 L C 2.489 179.466 176.870 0.178 0.000 1.077 274 L CA 2.097 56.982 54.840 0.074 0.000 0.747 274 L CB -1.120 40.940 42.059 0.003 0.000 0.896 274 L HN 0.261 nan 8.230 nan 0.000 0.432 275 A N -0.866 122.081 122.820 0.211 0.000 1.877 275 A HA -0.268 4.051 4.320 -0.001 0.000 0.216 275 A C 2.297 180.004 177.584 0.206 0.000 1.186 275 A CA 1.792 53.974 52.037 0.242 0.000 0.620 275 A CB -1.434 17.694 19.000 0.213 0.000 0.822 275 A HN 0.775 nan 8.150 nan 0.000 0.443 276 W N 0.351 121.665 121.300 0.023 0.000 2.379 276 W HA -0.116 4.543 4.660 -0.001 0.000 0.307 276 W C 1.820 178.336 176.519 -0.005 0.000 1.200 276 W CA 1.753 59.109 57.345 0.018 0.000 1.297 276 W CB -0.212 29.257 29.460 0.016 0.000 1.140 276 W HN 0.319 nan 8.180 nan 0.000 0.507 277 I N 0.374 121.083 120.570 0.232 0.000 2.406 277 I HA -0.109 4.060 4.170 -0.001 0.000 0.249 277 I C 2.701 178.755 176.117 -0.105 0.000 1.122 277 I CA 1.215 62.510 61.300 -0.009 0.000 1.431 277 I CB -1.182 36.800 38.000 -0.030 0.000 1.087 277 I HN -0.055 nan 8.210 nan 0.000 0.424 278 G N 0.451 109.253 108.800 0.004 0.000 2.440 278 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.218 278 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.218 278 G C 1.519 176.234 174.900 -0.309 0.000 1.154 278 G CA 0.779 45.885 45.100 0.009 0.000 0.767 278 G HN 0.430 nan 8.290 nan 0.000 0.552 279 E N 0.278 120.258 120.200 -0.367 0.000 2.097 279 E HA -0.213 4.137 4.350 -0.001 0.000 0.196 279 E C 2.262 178.506 176.600 -0.594 0.000 1.000 279 E CA 1.150 57.255 56.400 -0.492 0.000 0.804 279 E CB 0.028 29.482 29.700 -0.410 0.000 0.740 279 E HN 0.180 nan 8.360 nan 0.000 0.454 280 K N -0.076 119.868 120.400 -0.760 0.000 2.103 280 K HA -0.127 4.193 4.320 -0.001 0.000 0.204 280 K C 1.955 178.077 176.600 -0.797 0.000 1.052 280 K CA 1.038 56.555 56.287 -1.283 0.000 0.945 280 K CB -0.767 30.638 32.500 -1.825 0.000 0.722 280 K HN 0.302 nan 8.250 nan 0.000 0.443 281 Y N 1.109 121.114 120.300 -0.491 0.000 2.497 281 Y HA -0.048 4.501 4.550 -0.001 0.000 0.292 281 Y C 2.094 177.827 175.900 -0.278 0.000 1.137 281 Y CA 0.759 58.640 58.100 -0.366 0.000 1.285 281 Y CB -0.218 37.982 38.460 -0.434 0.000 0.991 281 Y HN -0.067 nan 8.280 nan 0.000 0.556 282 L N -1.215 119.863 121.223 -0.242 0.000 2.168 282 L HA -0.115 4.225 4.340 -0.001 0.000 0.203 282 L C 2.014 178.777 176.870 -0.179 0.000 1.078 282 L CA 0.975 55.655 54.840 -0.267 0.000 0.780 282 L CB -0.308 41.444 42.059 -0.511 0.000 0.939 282 L HN 0.141 nan 8.230 nan 0.000 0.451 283 Q N -1.222 118.449 119.800 -0.214 0.000 2.354 283 Q HA -0.089 4.250 4.340 -0.001 0.000 0.203 283 Q C 1.616 177.723 176.000 0.178 0.000 0.933 283 Q CA 0.701 56.467 55.803 -0.061 0.000 0.901 283 Q CB 0.175 28.865 28.738 -0.080 0.000 1.007 283 Q HN 0.496 nan 8.270 nan 0.000 0.495 284 W N 1.126 122.386 121.300 -0.066 0.000 3.197 284 W HA 0.143 4.802 4.660 -0.001 0.000 0.274 284 W C 0.881 177.411 176.519 0.020 0.000 1.297 284 W CA -0.498 56.800 57.345 -0.079 0.000 1.662 284 W CB -0.330 29.007 29.460 -0.205 0.000 1.106 284 W HN -0.140 nan 8.180 nan 0.000 0.663 285 V N -1.351 118.730 119.914 0.277 0.000 3.134 285 V HA 0.410 4.530 4.120 -0.001 0.000 0.313 285 V C 1.003 177.151 176.094 0.090 0.000 1.069 285 V CA -0.381 62.038 62.300 0.199 0.000 1.048 285 V CB 1.649 33.572 31.823 0.166 0.000 1.119 285 V HN -0.177 nan 8.190 nan 0.000 0.461 286 D N 0.472 120.905 120.400 0.056 0.000 2.429 286 D HA 0.078 4.717 4.640 -0.001 0.000 0.242 286 D C 0.534 176.848 176.300 0.023 0.000 1.076 286 D CA 0.906 54.926 54.000 0.033 0.000 0.955 286 D CB 0.199 41.017 40.800 0.029 0.000 1.076 286 D HN 0.575 nan 8.370 nan 0.000 0.448 287 K N 1.510 121.920 120.400 0.017 0.000 2.205 287 K HA 0.386 4.705 4.320 -0.001 0.000 0.279 287 K C -2.274 174.327 176.600 0.002 0.000 1.027 287 K CA -2.009 54.282 56.287 0.007 0.000 0.932 287 K CB 0.480 32.982 32.500 0.003 0.000 1.032 287 K HN 0.119 nan 8.250 nan 0.000 0.466 288 P HA 0.059 nan 4.420 nan 0.000 0.265 288 P C -0.162 177.124 177.300 -0.024 0.000 1.193 288 P CA 0.082 63.172 63.100 -0.015 0.000 0.765 288 P CB 0.419 32.111 31.700 -0.014 0.000 0.823 289 L N 5.242 126.440 121.223 -0.041 0.000 2.439 289 L HA 0.358 4.697 4.340 -0.001 0.000 0.261 289 L C -1.787 175.037 176.870 -0.076 0.000 1.153 289 L CA -2.008 52.788 54.840 -0.074 0.000 0.808 289 L CB -0.010 41.972 42.059 -0.128 0.000 1.126 289 L HN 0.251 nan 8.230 nan 0.000 0.460 290 P HA 0.107 nan 4.420 nan 0.000 0.271 290 P C 0.182 177.413 177.300 -0.115 0.000 1.216 290 P CA -0.041 63.008 63.100 -0.084 0.000 0.771 290 P CB 0.897 32.548 31.700 -0.083 0.000 0.864 291 S N 1.478 117.123 115.700 -0.091 0.000 2.383 291 S HA -0.170 4.300 4.470 -0.001 0.000 0.229 291 S C 1.601 176.079 174.600 -0.203 0.000 1.030 291 S CA 1.210 59.335 58.200 -0.126 0.000 1.002 291 S CB -0.407 62.722 63.200 -0.118 0.000 0.829 291 S HN 0.549 nan 8.310 nan 0.000 0.467 292 E N 0.869 120.974 120.200 -0.158 0.000 2.204 292 E HA -0.062 4.287 4.350 -0.001 0.000 0.195 292 E C 2.181 178.639 176.600 -0.236 0.000 0.990 292 E CA 0.920 57.230 56.400 -0.149 0.000 0.821 292 E CB -0.681 28.978 29.700 -0.069 0.000 0.750 292 E HN 0.456 nan 8.360 nan 0.000 0.477 293 T N 1.394 115.792 114.554 -0.260 0.000 2.746 293 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 293 T C 2.085 176.468 174.700 -0.528 0.000 1.039 293 T CA 0.794 62.684 62.100 -0.350 0.000 1.142 293 T CB -0.120 68.572 68.868 -0.294 0.000 0.866 293 T HN 0.132 nan 8.240 nan 0.000 0.444 294 I N 0.742 120.993 120.570 -0.533 0.000 2.226 294 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 294 I C 2.263 177.979 176.117 -0.669 0.000 1.100 294 I CA 1.186 62.071 61.300 -0.690 0.000 1.374 294 I CB -0.410 37.330 38.000 -0.434 0.000 1.057 294 I HN 0.200 nan 8.210 nan 0.000 0.413 295 L N 0.376 121.212 121.223 -0.645 0.000 2.083 295 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 295 L C 2.490 178.929 176.870 -0.718 0.000 1.083 295 L CA 1.455 55.744 54.840 -0.918 0.000 0.752 295 L CB -0.577 40.900 42.059 -0.970 0.000 0.899 295 L HN 0.308 nan 8.230 nan 0.000 0.433 296 E N -0.442 119.461 120.200 -0.496 0.000 2.072 296 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 296 E C 2.315 178.642 176.600 -0.454 0.000 0.985 296 E CA 1.039 57.105 56.400 -0.557 0.000 0.801 296 E CB -0.059 28.887 29.700 -1.257 0.000 0.750 296 E HN 0.360 nan 8.360 nan 0.000 0.452 297 M N 0.534 119.842 119.600 -0.486 0.000 2.117 297 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 297 M C 2.470 178.683 176.300 -0.145 0.000 1.065 297 M CA 1.098 56.218 55.300 -0.300 0.000 1.114 297 M CB -0.793 31.468 32.600 -0.565 0.000 1.361 297 M HN 0.031 nan 8.290 nan 0.000 0.408 298 V N -0.133 119.615 119.914 -0.276 0.000 2.358 298 V HA -0.198 3.921 4.120 -0.001 0.000 0.246 298 V C 2.460 178.636 176.094 0.138 0.000 1.047 298 V CA 1.742 63.966 62.300 -0.128 0.000 1.035 298 V CB -0.800 30.823 31.823 -0.332 0.000 0.658 298 V HN 0.429 nan 8.190 nan 0.000 0.452 299 S N 0.164 115.922 115.700 0.097 0.000 2.382 299 S HA -0.159 4.311 4.470 -0.001 0.000 0.228 299 S C 1.873 176.711 174.600 0.395 0.000 1.027 299 S CA 1.567 59.966 58.200 0.333 0.000 0.991 299 S CB -0.380 63.044 63.200 0.373 0.000 0.823 299 S HN 0.457 nan 8.310 nan 0.000 0.469 300 L N 0.619 122.150 121.223 0.512 0.000 2.017 300 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 300 L C 1.940 179.049 176.870 0.399 0.000 1.073 300 L CA 1.853 57.042 54.840 0.582 0.000 0.745 300 L CB -0.931 41.513 42.059 0.641 0.000 0.894 300 L HN 0.196 nan 8.230 nan 0.000 0.432 301 Y N -1.055 119.371 120.300 0.210 0.000 2.181 301 Y HA -0.304 4.245 4.550 -0.001 0.000 0.288 301 Y C 2.433 178.450 175.900 0.196 0.000 1.146 301 Y CA 1.993 60.207 58.100 0.190 0.000 1.164 301 Y CB -0.866 37.735 38.460 0.234 0.000 0.982 301 Y HN 0.422 nan 8.280 nan 0.000 0.515 302 W N 0.505 121.949 121.300 0.240 0.000 2.355 302 W HA -0.218 4.441 4.660 -0.001 0.000 0.309 302 W C 1.521 178.066 176.519 0.043 0.000 1.206 302 W CA 1.639 59.064 57.345 0.133 0.000 1.284 302 W CB -0.605 28.932 29.460 0.129 0.000 1.145 302 W HN 0.080 nan 8.180 nan 0.000 0.502 303 L N 0.944 122.249 121.223 0.137 0.000 2.362 303 L HA -0.160 4.180 4.340 -0.001 0.000 0.219 303 L C 2.166 178.990 176.870 -0.076 0.000 1.134 303 L CA 1.738 56.562 54.840 -0.027 0.000 0.807 303 L CB -0.806 41.201 42.059 -0.086 0.000 0.927 303 L HN 0.020 nan 8.230 nan 0.000 0.447 304 T N -5.253 109.247 114.554 -0.090 0.000 3.085 304 T HA 0.147 4.497 4.350 -0.001 0.000 0.264 304 T C 0.541 175.136 174.700 -0.175 0.000 1.019 304 T CA -0.392 61.618 62.100 -0.149 0.000 0.910 304 T CB 0.059 68.748 68.868 -0.298 0.000 1.059 304 T HN 0.287 nan 8.240 nan 0.000 0.542 305 E N 1.012 121.091 120.200 -0.202 0.000 2.328 305 E HA -0.211 4.138 4.350 -0.001 0.000 0.233 305 E C 0.775 177.280 176.600 -0.159 0.000 1.219 305 E CA 0.358 56.634 56.400 -0.206 0.000 0.717 305 E CB -1.687 27.883 29.700 -0.216 0.000 1.210 305 E HN 0.545 nan 8.360 nan 0.000 0.381 306 S N -0.576 115.016 115.700 -0.181 0.000 2.371 306 S HA -0.104 4.365 4.470 -0.001 0.000 0.224 306 S C 1.302 175.777 174.600 -0.209 0.000 1.029 306 S CA 0.985 58.991 58.200 -0.324 0.000 0.978 306 S CB -0.169 62.563 63.200 -0.780 0.000 0.833 306 S HN 0.489 nan 8.310 nan 0.000 0.466 307 F N 4.148 124.075 119.950 -0.038 0.000 2.043 307 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 307 F C -0.806 174.969 175.800 -0.041 0.000 1.118 307 F CA 1.678 59.760 58.000 0.137 0.000 1.202 307 F CB -1.189 37.973 39.000 0.270 0.000 0.965 307 F HN 0.182 nan 8.300 nan 0.000 0.482 308 P HA -0.163 nan 4.420 nan 0.000 0.222 308 P C 0.930 178.064 177.300 -0.276 0.000 1.147 308 P CA 1.704 64.664 63.100 -0.234 0.000 0.790 308 P CB -0.222 31.401 31.700 -0.129 0.000 0.780 309 R N -0.484 119.870 120.500 -0.243 0.000 2.189 309 R HA 0.248 4.588 4.340 -0.001 0.000 0.203 309 R C 2.364 178.588 176.300 -0.127 0.000 1.012 309 R CA 0.831 56.819 56.100 -0.186 0.000 1.015 309 R CB -0.471 29.721 30.300 -0.180 0.000 0.938 309 R HN 0.100 nan 8.270 nan 0.000 0.472 310 A N 2.000 124.624 122.820 -0.326 0.000 2.067 310 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 310 A C 2.036 179.455 177.584 -0.275 0.000 1.156 310 A CA 0.501 52.253 52.037 -0.475 0.000 0.683 310 A CB -0.404 17.965 19.000 -1.052 0.000 0.808 310 A HN 0.395 nan 8.150 nan 0.000 0.455 311 I N -1.837 118.502 120.570 -0.385 0.000 3.550 311 I HA -0.064 4.105 4.170 -0.001 0.000 0.295 311 I C 1.883 177.943 176.117 -0.095 0.000 1.291 311 I CA 0.729 61.832 61.300 -0.328 0.000 1.298 311 I CB -0.838 36.645 38.000 -0.862 0.000 1.026 311 I HN 0.485 nan 8.210 nan 0.000 0.491 312 H N 1.471 120.511 119.070 -0.049 0.000 2.457 312 H HA -0.155 4.400 4.556 -0.001 0.000 0.297 312 H C 1.857 177.222 175.328 0.063 0.000 1.092 312 H CA 1.862 57.921 56.048 0.020 0.000 1.309 312 H CB -1.221 28.573 29.762 0.054 0.000 1.382 312 H HN 0.555 nan 8.280 nan 0.000 0.535 313 T N -2.349 111.946 114.554 -0.430 0.000 3.085 313 T HA -0.087 4.263 4.350 -0.001 0.000 0.263 313 T C 1.655 176.197 174.700 -0.264 0.000 1.127 313 T CA 0.270 62.190 62.100 -0.299 0.000 1.103 313 T CB -0.753 67.886 68.868 -0.381 0.000 0.921 313 T HN 0.296 nan 8.240 nan 0.000 0.510 314 Y N 2.641 122.841 120.300 -0.167 0.000 2.333 314 Y HA -0.017 4.532 4.550 -0.001 0.000 0.290 314 Y C 2.710 178.551 175.900 -0.099 0.000 1.144 314 Y CA 1.082 59.104 58.100 -0.130 0.000 1.228 314 Y CB -0.310 38.105 38.460 -0.075 0.000 0.985 314 Y HN 0.320 nan 8.280 nan 0.000 0.542 315 R N 0.365 120.900 120.500 0.057 0.000 2.280 315 R HA -0.078 4.261 4.340 -0.001 0.000 0.207 315 R C 1.048 177.346 176.300 -0.003 0.000 1.043 315 R CA 1.572 57.693 56.100 0.036 0.000 1.006 315 R CB -0.294 30.034 30.300 0.047 0.000 0.885 315 R HN 0.387 nan 8.270 nan 0.000 0.467 316 E N 0.664 120.832 120.200 -0.053 0.000 2.330 316 E HA -0.023 4.327 4.350 -0.001 0.000 0.200 316 E C 1.558 178.087 176.600 -0.119 0.000 0.922 316 E CA 1.102 57.465 56.400 -0.061 0.000 0.935 316 E CB 0.566 30.235 29.700 -0.051 0.000 0.917 316 E HN 0.508 nan 8.360 nan 0.000 0.491 317 T N -1.017 113.361 114.554 -0.294 0.000 3.014 317 T HA 0.003 4.353 4.350 -0.001 0.000 0.263 317 T C 1.301 175.889 174.700 -0.186 0.000 1.078 317 T CA 0.571 62.377 62.100 -0.491 0.000 1.135 317 T CB 0.018 68.229 68.868 -1.095 0.000 0.895 317 T HN -0.167 nan 8.240 nan 0.000 0.480 318 T N 3.524 118.016 114.554 -0.103 0.000 3.466 318 T HA 0.442 4.792 4.350 -0.001 0.000 0.297 318 T C -2.691 172.010 174.700 0.002 0.000 1.640 318 T CA -1.107 60.985 62.100 -0.014 0.000 1.631 318 T CB 1.094 69.978 68.868 0.027 0.000 0.928 318 T HN 0.249 nan 8.240 nan 0.000 0.688 330 L N 1.351 122.572 121.223 -0.003 0.000 2.291 330 L HA -0.085 4.254 4.340 -0.001 0.000 0.214 330 L C 1.434 178.331 176.870 0.046 0.000 1.120 330 L CA 1.090 55.923 54.840 -0.012 0.000 0.799 330 L CB -0.367 41.669 42.059 -0.038 0.000 0.925 330 L HN 0.484 nan 8.230 nan 0.000 0.446 331 Q N -0.958 118.873 119.800 0.051 0.000 2.424 331 Q HA 0.017 4.356 4.340 -0.001 0.000 0.204 331 Q C 1.418 177.446 176.000 0.048 0.000 0.933 331 Q CA 0.646 56.508 55.803 0.097 0.000 0.929 331 Q CB 0.379 29.125 28.738 0.013 0.000 1.037 331 Q HN 0.244 nan 8.270 nan 0.000 0.511 332 K N -0.372 120.051 120.400 0.038 0.000 3.959 332 K HA 0.169 4.488 4.320 -0.001 0.000 0.251 332 K C 1.696 178.334 176.600 0.063 0.000 1.293 332 K CA 0.170 56.467 56.287 0.017 0.000 1.563 332 K CB -0.467 32.032 32.500 -0.002 0.000 2.393 332 K HN -0.172 nan 8.250 nan 0.000 0.488 333 E N 1.796 122.023 120.200 0.046 0.000 2.097 333 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 333 E C 1.540 178.176 176.600 0.061 0.000 1.000 333 E CA 1.201 57.633 56.400 0.053 0.000 0.804 333 E CB -0.159 29.561 29.700 0.034 0.000 0.740 333 E HN 0.210 nan 8.360 nan 0.000 0.454 334 L N 0.058 121.306 121.223 0.042 0.000 2.791 334 L HA 0.197 4.536 4.340 -0.001 0.000 0.239 334 L C -0.039 176.809 176.870 -0.037 0.000 1.203 334 L CA -0.590 54.254 54.840 0.007 0.000 1.002 334 L CB -0.137 41.915 42.059 -0.012 0.000 1.295 334 L HN 0.121 nan 8.230 nan 0.000 0.504 335 Y N 1.538 121.743 120.300 -0.158 0.000 2.442 335 Y HA 0.179 4.728 4.550 -0.001 0.000 0.330 335 Y C 0.454 176.123 175.900 -0.384 0.000 1.129 335 Y CA -0.142 57.787 58.100 -0.285 0.000 1.365 335 Y CB 0.527 38.782 38.460 -0.341 0.000 1.233 335 Y HN -0.008 nan 8.280 nan 0.000 0.529 336 I N 7.665 127.763 120.570 -0.788 0.000 2.281 336 I HA 0.018 4.187 4.170 -0.001 0.000 0.293 336 I C 0.725 176.552 176.117 -0.482 0.000 1.085 336 I CA -0.140 60.829 61.300 -0.551 0.000 1.257 336 I CB 0.394 37.994 38.000 -0.666 0.000 1.430 336 I HN 0.787 nan 8.210 nan 0.000 0.489 337 H N 4.981 124.071 119.070 0.033 0.000 2.502 337 H HA 0.093 4.648 4.556 -0.001 0.000 0.283 337 H C 0.550 175.940 175.328 0.103 0.000 1.015 337 H CA 0.578 56.725 56.048 0.166 0.000 1.298 337 H CB 0.183 30.053 29.762 0.179 0.000 1.411 337 H HN 0.484 nan 8.280 nan 0.000 0.556 338 K N 1.363 121.856 120.400 0.155 0.000 2.138 338 K HA 0.171 4.490 4.320 -0.001 0.000 0.251 338 K C -2.474 174.233 176.600 0.178 0.000 1.015 338 K CA -1.748 54.621 56.287 0.137 0.000 0.917 338 K CB -0.051 32.511 32.500 0.104 0.000 1.021 338 K HN -0.086 nan 8.250 nan 0.000 0.485 339 P HA -0.120 nan 4.420 nan 0.000 0.260 339 P C -1.196 176.406 177.300 0.504 0.000 1.172 339 P CA 0.567 63.837 63.100 0.283 0.000 0.760 339 P CB 0.170 31.961 31.700 0.151 0.000 0.773 340 F N 4.409 124.542 119.950 0.306 0.000 2.507 340 F HA 0.724 5.250 4.527 -0.001 0.000 0.325 340 F C -0.140 175.801 175.800 0.235 0.000 1.116 340 F CA -0.950 57.180 58.000 0.216 0.000 0.930 340 F CB 1.497 40.524 39.000 0.045 0.000 1.146 340 F HN 0.317 nan 8.300 nan 0.000 0.447 341 G N 4.427 113.057 108.800 -0.284 0.000 2.481 341 G HA2 0.634 4.593 3.960 -0.001 0.000 0.315 341 G HA3 0.634 4.593 3.960 -0.001 0.000 0.315 341 G C -2.466 172.046 174.900 -0.648 0.000 1.231 341 G CA -0.660 44.133 45.100 -0.511 0.000 0.968 341 G HN 0.599 nan 8.290 nan 0.000 0.482 342 F N 0.556 120.193 119.950 -0.520 0.000 2.581 342 F HA 0.625 5.152 4.527 -0.001 0.000 0.311 342 F C -0.304 175.212 175.800 -0.473 0.000 1.113 342 F CA -0.635 57.016 58.000 -0.580 0.000 0.935 342 F CB 2.554 41.330 39.000 -0.372 0.000 1.232 342 F HN 0.383 nan 8.300 nan 0.000 0.445 343 S N 5.775 120.926 115.700 -0.913 0.000 2.530 343 S HA 0.404 4.874 4.470 -0.001 0.000 0.322 343 S C -1.182 173.017 174.600 -0.669 0.000 1.085 343 S CA -0.386 57.508 58.200 -0.510 0.000 1.096 343 S CB 0.619 63.811 63.200 -0.014 0.000 0.988 343 S HN 0.492 nan 8.310 nan 0.000 0.466 344 F N 4.653 124.211 119.950 -0.654 0.000 2.404 344 F HA 0.600 5.126 4.527 -0.001 0.000 0.358 344 F C -1.289 174.253 175.800 -0.431 0.000 1.120 344 F CA -0.852 56.972 58.000 -0.293 0.000 1.144 344 F CB 0.176 39.089 39.000 -0.144 0.000 1.133 344 F HN 0.412 nan 8.300 nan 0.000 0.495 345 F N 8.104 127.743 119.950 -0.517 0.000 2.449 345 F HA 0.366 4.892 4.527 -0.001 0.000 0.342 345 F C -1.445 173.943 175.800 -0.686 0.000 1.127 345 F CA -2.037 55.736 58.000 -0.378 0.000 0.975 345 F CB 1.274 40.113 39.000 -0.268 0.000 1.146 345 F HN 0.358 nan 8.300 nan 0.000 0.444 346 P HA -0.222 nan 4.420 nan 0.000 0.216 346 P C 0.750 177.971 177.300 -0.131 0.000 1.150 346 P CA 1.581 64.569 63.100 -0.187 0.000 0.843 346 P CB 0.367 32.114 31.700 0.079 0.000 0.787 347 K N -0.164 120.191 120.400 -0.074 0.000 2.437 347 K HA 0.111 4.430 4.320 -0.001 0.000 0.198 347 K C 0.613 177.143 176.600 -0.116 0.000 1.024 347 K CA -0.207 56.043 56.287 -0.062 0.000 1.148 347 K CB -0.590 31.904 32.500 -0.010 0.000 0.860 347 K HN 0.208 nan 8.250 nan 0.000 0.515 348 D N 0.492 120.787 120.400 -0.174 0.000 2.384 348 D HA 0.051 4.690 4.640 -0.001 0.000 0.244 348 D C 1.615 177.729 176.300 -0.309 0.000 1.251 348 D CA -0.101 53.772 54.000 -0.213 0.000 0.961 348 D CB 0.958 41.645 40.800 -0.190 0.000 1.116 348 D HN -0.134 nan 8.370 nan 0.000 0.484 349 L N 0.056 120.980 121.223 -0.499 0.000 2.017 349 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 349 L C 1.225 177.799 176.870 -0.494 0.000 1.073 349 L CA 0.842 55.176 54.840 -0.843 0.000 0.745 349 L CB -0.247 40.912 42.059 -1.500 0.000 0.894 349 L HN 0.270 nan 8.230 nan 0.000 0.432 350 C N 0.923 120.073 119.300 -0.250 0.000 3.003 350 C HA 0.304 4.764 4.460 -0.001 0.000 0.241 350 C C -2.040 172.967 174.990 0.028 0.000 1.224 350 C CA -1.293 57.702 59.018 -0.039 0.000 1.560 350 C CB -0.075 27.699 27.740 0.056 0.000 1.768 350 C HN 0.176 nan 8.230 nan 0.000 0.440 351 P HA 0.126 nan 4.420 nan 0.000 0.256 351 P C 0.170 177.609 177.300 0.231 0.000 1.688 351 P CA 0.733 63.910 63.100 0.127 0.000 1.162 351 P CB 0.263 31.989 31.700 0.044 0.000 1.870 352 V N 1.580 121.607 119.914 0.189 0.000 2.904 352 V HA 0.580 4.699 4.120 -0.001 0.000 0.305 352 V C -2.130 173.899 176.094 -0.108 0.000 1.067 352 V CA -2.644 59.625 62.300 -0.051 0.000 1.044 352 V CB 0.797 32.653 31.823 0.055 0.000 1.050 352 V HN 0.195 nan 8.190 nan 0.000 0.475 353 P HA 0.202 nan 4.420 nan 0.000 0.274 353 P C 0.449 177.514 177.300 -0.392 0.000 1.237 353 P CA -0.422 62.393 63.100 -0.474 0.000 0.793 353 P CB 1.119 32.453 31.700 -0.610 0.000 0.977 354 R N 1.766 121.930 120.500 -0.560 0.000 2.105 354 R HA -0.154 4.186 4.340 -0.001 0.000 0.239 354 R C 2.164 178.233 176.300 -0.385 0.000 1.135 354 R CA 2.479 58.128 56.100 -0.752 0.000 0.967 354 R CB -0.688 28.820 30.300 -1.319 0.000 0.861 354 R HN 0.622 nan 8.270 nan 0.000 0.442 355 S N -0.766 114.785 115.700 -0.249 0.000 2.400 355 S HA -0.151 4.318 4.470 -0.001 0.000 0.232 355 S C 1.532 176.223 174.600 0.151 0.000 1.025 355 S CA 0.950 59.122 58.200 -0.047 0.000 0.993 355 S CB -0.490 62.716 63.200 0.010 0.000 0.808 355 S HN 0.463 nan 8.310 nan 0.000 0.478 356 W N 1.689 122.900 121.300 -0.148 0.000 2.441 356 W HA 0.374 5.034 4.660 -0.001 0.000 0.302 356 W C 2.291 178.750 176.519 -0.099 0.000 1.191 356 W CA -0.825 56.461 57.345 -0.098 0.000 1.327 356 W CB -1.062 28.350 29.460 -0.081 0.000 1.128 356 W HN 0.261 nan 8.180 nan 0.000 0.522 357 I N 0.542 121.159 120.570 0.080 0.000 2.264 357 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 357 I C 2.439 178.589 176.117 0.054 0.000 1.111 357 I CA 1.573 62.859 61.300 -0.023 0.000 1.382 357 I CB -0.992 36.829 38.000 -0.298 0.000 1.060 357 I HN -0.104 nan 8.210 nan 0.000 0.418 358 A N 0.680 123.500 122.820 -0.001 0.000 2.076 358 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 358 A C 2.342 179.993 177.584 0.111 0.000 1.160 358 A CA 2.173 54.233 52.037 0.039 0.000 0.653 358 A CB -1.061 17.925 19.000 -0.023 0.000 0.801 358 A HN 0.564 nan 8.150 nan 0.000 0.455 359 T N -3.325 111.291 114.554 0.103 0.000 3.088 359 T HA -0.034 4.315 4.350 -0.001 0.000 0.259 359 T C 1.413 176.231 174.700 0.197 0.000 1.122 359 T CA 1.576 63.759 62.100 0.138 0.000 1.095 359 T CB -0.663 68.232 68.868 0.046 0.000 0.930 359 T HN 0.568 nan 8.240 nan 0.000 0.508 360 T N -2.017 112.582 114.554 0.075 0.000 3.086 360 T HA 0.588 4.937 4.350 -0.001 0.000 0.250 360 T C 0.820 175.171 174.700 -0.581 0.000 1.074 360 T CA 0.092 62.142 62.100 -0.084 0.000 0.988 360 T CB 0.097 68.915 68.868 -0.084 0.000 0.988 360 T HN 0.732 nan 8.240 nan 0.000 0.530 361 G N 0.979 109.352 108.800 -0.711 0.000 2.328 361 G HA2 0.311 4.270 3.960 -0.001 0.000 0.295 361 G HA3 0.311 4.270 3.960 -0.001 0.000 0.295 361 G C -1.581 173.139 174.900 -0.301 0.000 1.413 361 G CA -1.075 43.329 45.100 -1.160 0.000 0.817 361 G HN 0.081 nan 8.290 nan 0.000 0.546 362 N N 0.261 118.883 118.700 -0.131 0.000 2.892 362 N HA 0.183 4.922 4.740 -0.001 0.000 0.300 362 N C 0.096 175.773 175.510 0.278 0.000 1.211 362 N CA -0.355 52.801 53.050 0.177 0.000 1.158 362 N CB -0.198 38.410 38.487 0.201 0.000 1.455 362 N HN 0.468 nan 8.380 nan 0.000 0.524 363 L N 3.296 124.670 121.223 0.253 0.000 2.565 363 L HA 0.066 4.406 4.340 -0.001 0.000 0.275 363 L C 0.912 177.865 176.870 0.138 0.000 1.137 363 L CA 0.199 55.108 54.840 0.116 0.000 0.915 363 L CB 0.516 42.563 42.059 -0.021 0.000 1.232 363 L HN 0.373 nan 8.230 nan 0.000 0.473 364 V N 2.576 122.623 119.914 0.222 0.000 3.528 364 V HA 0.422 4.541 4.120 -0.001 0.000 0.294 364 V C -0.034 176.270 176.094 0.350 0.000 1.404 364 V CA -0.299 62.148 62.300 0.246 0.000 1.065 364 V CB -0.536 31.438 31.823 0.250 0.000 0.904 364 V HN 0.562 nan 8.190 nan 0.000 0.435 365 F N 0.946 120.998 119.950 0.170 0.000 2.588 365 F HA 0.746 5.273 4.527 -0.001 0.000 0.318 365 F C -1.735 174.152 175.800 0.144 0.000 1.155 365 F CA -1.626 56.494 58.000 0.199 0.000 0.967 365 F CB 2.182 41.421 39.000 0.397 0.000 1.236 365 F HN 0.009 nan 8.300 nan 0.000 0.455 366 F N 6.612 126.261 119.950 -0.503 0.000 2.574 366 F HA 0.675 5.202 4.527 -0.001 0.000 0.313 366 F C -1.518 173.967 175.800 -0.526 0.000 1.130 366 F CA -0.503 57.279 58.000 -0.363 0.000 0.936 366 F CB 1.269 40.135 39.000 -0.223 0.000 1.219 366 F HN 0.394 nan 8.300 nan 0.000 0.445 367 R N 4.043 123.989 120.500 -0.923 0.000 2.476 367 R HA 0.259 4.598 4.340 -0.001 0.000 0.305 367 R C -1.631 174.141 176.300 -0.879 0.000 0.965 367 R CA -0.714 54.945 56.100 -0.735 0.000 0.867 367 R CB 1.856 31.854 30.300 -0.503 0.000 1.176 367 R HN 0.671 nan 8.270 nan 0.000 0.447 368 D N 2.417 122.449 120.400 -0.614 0.000 2.280 368 D HA 0.212 4.852 4.640 -0.001 0.000 0.236 368 D C -0.659 175.360 176.300 -0.469 0.000 1.082 368 D CA -0.177 53.600 54.000 -0.372 0.000 0.834 368 D CB 0.800 41.543 40.800 -0.095 0.000 1.100 368 D HN 0.427 nan 8.370 nan 0.000 0.486 369 H N 1.565 120.557 119.070 -0.130 0.000 2.533 369 H HA 0.391 4.947 4.556 -0.001 0.000 0.343 369 H C 0.319 175.657 175.328 0.015 0.000 1.160 369 H CA -0.617 55.356 56.048 -0.125 0.000 1.218 369 H CB 2.232 31.800 29.762 -0.322 0.000 1.566 369 H HN 0.501 nan 8.280 nan 0.000 0.522 370 A N 1.778 124.689 122.820 0.151 0.000 2.072 370 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 370 A C 0.647 178.308 177.584 0.128 0.000 1.156 370 A CA 0.665 52.774 52.037 0.120 0.000 0.701 370 A CB 0.040 19.089 19.000 0.081 0.000 0.816 370 A HN 0.789 nan 8.150 nan 0.000 0.458 371 E N -2.489 117.805 120.200 0.157 0.000 2.429 371 E HA 0.558 4.907 4.350 -0.001 0.000 0.276 371 E C -0.271 176.451 176.600 0.204 0.000 0.953 371 E CA -0.754 55.728 56.400 0.137 0.000 0.787 371 E CB 1.324 31.081 29.700 0.094 0.000 1.307 371 E HN 1.064 nan 8.360 nan 0.000 0.458 372 G N -0.696 108.184 108.800 0.133 0.000 2.592 372 G HA2 0.340 4.299 3.960 -0.001 0.000 0.685 372 G HA3 0.340 4.299 3.960 -0.001 0.000 0.685 372 G C -0.341 174.578 174.900 0.032 0.000 1.278 372 G CA -0.408 44.744 45.100 0.086 0.000 0.822 372 G HN 0.856 nan 8.290 nan 0.000 0.652 373 G N -0.768 107.988 108.800 -0.073 0.000 3.135 373 G HA2 0.567 4.526 3.960 -0.001 0.000 0.159 373 G HA3 0.567 4.526 3.960 -0.001 0.000 0.159 373 G C 0.849 175.647 174.900 -0.171 0.000 1.244 373 G CA 0.819 45.882 45.100 -0.063 0.000 0.965 373 G HN 1.300 nan 8.290 nan 0.000 0.599 374 H N -0.576 118.343 119.070 -0.253 0.000 2.321 374 H HA 0.043 4.598 4.556 -0.001 0.000 0.300 374 H C 0.761 175.775 175.328 -0.523 0.000 1.087 374 H CA 1.265 57.036 56.048 -0.460 0.000 1.319 374 H CB -0.236 29.140 29.762 -0.644 0.000 1.379 374 H HN 0.152 nan 8.280 nan 0.000 0.501 375 F N 0.581 120.415 119.950 -0.194 0.000 2.669 375 F HA 0.305 4.831 4.527 -0.001 0.000 0.353 375 F C 1.632 177.206 175.800 -0.377 0.000 1.192 375 F CA 0.138 57.979 58.000 -0.265 0.000 1.317 375 F CB -0.355 38.594 39.000 -0.085 0.000 1.652 375 F HN 0.288 nan 8.300 nan 0.000 0.608 376 A N 1.468 124.003 122.820 -0.475 0.000 1.892 376 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 376 A C 2.501 179.834 177.584 -0.418 0.000 1.188 376 A CA 2.065 53.672 52.037 -0.716 0.000 0.631 376 A CB -0.905 17.477 19.000 -1.030 0.000 0.822 376 A HN 0.572 nan 8.150 nan 0.000 0.447 377 A N -0.862 121.766 122.820 -0.320 0.000 1.940 377 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 377 A C 2.198 179.678 177.584 -0.174 0.000 1.176 377 A CA 1.595 53.482 52.037 -0.250 0.000 0.631 377 A CB -0.460 18.206 19.000 -0.556 0.000 0.814 377 A HN 0.495 nan 8.150 nan 0.000 0.446 378 L N -1.417 119.716 121.223 -0.150 0.000 2.127 378 L HA -0.072 4.267 4.340 -0.001 0.000 0.203 378 L C 2.591 179.414 176.870 -0.079 0.000 1.080 378 L CA 1.151 55.937 54.840 -0.090 0.000 0.768 378 L CB -0.381 41.638 42.059 -0.066 0.000 0.924 378 L HN 0.456 nan 8.230 nan 0.000 0.444 379 E N 0.032 120.174 120.200 -0.096 0.000 2.076 379 E HA -0.035 4.314 4.350 -0.001 0.000 0.190 379 E C 0.383 176.916 176.600 -0.112 0.000 0.979 379 E CA 0.622 56.965 56.400 -0.095 0.000 0.807 379 E CB 0.347 29.985 29.700 -0.103 0.000 0.761 379 E HN 0.205 nan 8.360 nan 0.000 0.454 380 R N 0.714 121.105 120.500 -0.181 0.000 2.738 380 R HA 0.162 4.502 4.340 -0.001 0.000 0.280 380 R C -2.156 174.085 176.300 -0.099 0.000 1.456 380 R CA -1.403 54.620 56.100 -0.129 0.000 1.612 380 R CB 0.411 30.628 30.300 -0.140 0.000 1.286 380 R HN 0.144 nan 8.270 nan 0.000 0.660 381 P HA -0.173 nan 4.420 nan 0.000 0.215 381 P C 0.979 178.278 177.300 -0.001 0.000 1.153 381 P CA 1.061 64.149 63.100 -0.021 0.000 0.853 381 P CB 0.369 32.067 31.700 -0.003 0.000 0.788 382 R N 0.329 120.824 120.500 -0.008 0.000 2.081 382 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 382 R C 2.380 178.694 176.300 0.023 0.000 1.131 382 R CA 1.448 57.545 56.100 -0.005 0.000 0.960 382 R CB -0.745 29.554 30.300 -0.002 0.000 0.856 382 R HN 0.360 nan 8.270 nan 0.000 0.436 383 E N 0.625 120.842 120.200 0.028 0.000 2.072 383 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 383 E C 1.928 178.591 176.600 0.105 0.000 0.985 383 E CA 0.804 57.234 56.400 0.050 0.000 0.801 383 E CB -0.114 29.536 29.700 -0.084 0.000 0.750 383 E HN 0.028 nan 8.360 nan 0.000 0.452 384 L N 1.537 122.824 121.223 0.106 0.000 2.056 384 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 384 L C 2.153 179.079 176.870 0.093 0.000 1.078 384 L CA 1.824 56.748 54.840 0.140 0.000 0.749 384 L CB -0.302 41.813 42.059 0.093 0.000 0.901 384 L HN -0.065 nan 8.230 nan 0.000 0.433 385 K N -1.480 118.971 120.400 0.085 0.000 2.026 385 K HA -0.170 4.150 4.320 -0.001 0.000 0.208 385 K C 1.873 178.526 176.600 0.088 0.000 1.048 385 K CA 1.955 58.296 56.287 0.090 0.000 0.929 385 K CB -0.262 32.220 32.500 -0.030 0.000 0.713 385 K HN 0.335 nan 8.250 nan 0.000 0.439 386 T N 1.473 116.073 114.554 0.077 0.000 2.746 386 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 386 T C 1.170 175.969 174.700 0.165 0.000 1.039 386 T CA 1.734 63.901 62.100 0.112 0.000 1.142 386 T CB -0.369 68.564 68.868 0.109 0.000 0.866 386 T HN 0.338 nan 8.240 nan 0.000 0.444 387 D N 0.821 121.334 120.400 0.188 0.000 2.097 387 D HA -0.037 4.602 4.640 -0.001 0.000 0.195 387 D C 2.001 178.320 176.300 0.032 0.000 0.989 387 D CA 0.547 54.711 54.000 0.274 0.000 0.827 387 D CB -0.556 40.444 40.800 0.334 0.000 0.966 387 D HN 0.155 nan 8.370 nan 0.000 0.456 388 L N 0.740 121.878 121.223 -0.143 0.000 2.046 388 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 388 L C 2.104 178.919 176.870 -0.092 0.000 1.077 388 L CA 1.784 56.455 54.840 -0.282 0.000 0.747 388 L CB -0.993 40.925 42.059 -0.235 0.000 0.896 388 L HN -0.027 nan 8.230 nan 0.000 0.432 389 T N -0.136 114.473 114.554 0.092 0.000 2.746 389 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 389 T C 1.900 176.696 174.700 0.160 0.000 1.039 389 T CA 1.393 63.646 62.100 0.254 0.000 1.142 389 T CB -0.531 68.553 68.868 0.361 0.000 0.866 389 T HN 0.535 nan 8.240 nan 0.000 0.444 390 A N 0.998 123.896 122.820 0.131 0.000 1.902 390 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 390 A C 2.003 179.572 177.584 -0.025 0.000 1.181 390 A CA 1.295 53.423 52.037 0.150 0.000 0.623 390 A CB -0.930 18.275 19.000 0.342 0.000 0.818 390 A HN 0.468 nan 8.150 nan 0.000 0.443 391 F N 0.918 120.531 119.950 -0.561 0.000 2.075 391 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 391 F C 2.268 177.889 175.800 -0.297 0.000 1.113 391 F CA 2.018 59.533 58.000 -0.809 0.000 1.218 391 F CB -0.577 37.861 39.000 -0.936 0.000 0.984 391 F HN 0.026 nan 8.300 nan 0.000 0.472 392 V N 0.835 120.571 119.914 -0.297 0.000 2.287 392 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 392 V C 2.284 178.308 176.094 -0.117 0.000 1.053 392 V CA 2.383 64.499 62.300 -0.307 0.000 1.027 392 V CB -0.834 30.746 31.823 -0.405 0.000 0.646 392 V HN 0.377 nan 8.190 nan 0.000 0.447 393 E N -0.295 119.905 120.200 -0.000 0.000 2.153 393 E HA -0.304 4.046 4.350 -0.001 0.000 0.194 393 E C 2.233 178.854 176.600 0.036 0.000 0.988 393 E CA 1.421 57.866 56.400 0.076 0.000 0.811 393 E CB -0.111 29.657 29.700 0.114 0.000 0.746 393 E HN 0.710 nan 8.360 nan 0.000 0.466 394 Q N 0.881 120.661 119.800 -0.034 0.000 2.163 394 Q HA -0.093 4.247 4.340 -0.001 0.000 0.198 394 Q C 2.148 178.101 176.000 -0.077 0.000 0.954 394 Q CA 1.472 57.264 55.803 -0.019 0.000 0.851 394 Q CB 0.422 29.188 28.738 0.046 0.000 0.928 394 Q HN 0.305 nan 8.270 nan 0.000 0.459 395 V N -2.769 117.010 119.914 -0.225 0.000 3.565 395 V HA 0.188 4.307 4.120 -0.001 0.000 0.260 395 V C 1.018 177.064 176.094 -0.079 0.000 1.231 395 V CA -0.538 61.637 62.300 -0.209 0.000 1.100 395 V CB -0.441 31.113 31.823 -0.447 0.000 0.807 395 V HN 0.362 nan 8.190 nan 0.000 0.454 396 W N 0.000 121.172 121.300 -0.213 0.000 2.388 396 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 396 W CA 0.000 57.264 57.345 -0.135 0.000 1.226 396 W CB 0.000 29.387 29.460 -0.121 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535