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 3oth_1_B DATA FIRST_RESID 2 DATA SEQUENCE RVLFASLGTH GHTYPLLPLA TAARAAGHEV TFATGEGFAG TLRKLGFEPV DATA SEQUENCE ATGXPVFDGF LAALRIRFDT DSPEGLTPEQ LSELPQIVFG RVIPQRVFDE DATA SEQUENCE LQPVIERLRP DLVVQEISNY GAGLAALKAG IPTICHGVGR DTPDDLTRSI DATA SEQUENCE EEEVRGLAQR LGLDLPPGRI DGFGNPFIDI FPPSLQEPEF RARPRRHELR DATA SEQUENCE PVPFAEQGDL PAWLSSRDTA RPLVYLTLGT SSGGTVEVLR AAIDGLAGLD DATA SEQUENCE ADVLVASGPS LDVSGLGEVP ANVRLESWVP QAALLPHVDL VVHHGGSGTT DATA SEQUENCE LGALGAGVPQ LSFPWAGDSF ANAQAVAQAG AGDHLLPDNI SPDSVSGAAK DATA SEQUENCE RLLAEESYRA GARAVAAEIA AXPGPDEVVR LLPGFAS 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.292 176.300 -0.014 0.000 0.893 2 R CA 0.000 56.118 56.100 0.030 0.000 0.921 2 R CB 0.000 30.312 30.300 0.021 0.000 0.687 3 V N 3.595 123.507 119.914 -0.004 0.000 2.432 3 V HA 0.311 4.421 4.120 -0.016 0.000 0.275 3 V C 0.012 176.090 176.094 -0.027 0.000 1.043 3 V CA -0.678 61.585 62.300 -0.061 0.000 0.925 3 V CB 1.406 33.198 31.823 -0.052 0.000 0.985 3 V HN 0.412 nan 8.190 nan 0.000 0.466 4 L N 6.479 127.617 121.223 -0.141 0.000 2.264 4 L HA 0.579 4.909 4.340 -0.016 0.000 0.289 4 L C -0.798 175.888 176.870 -0.307 0.000 1.044 4 L CA 0.292 55.052 54.840 -0.133 0.000 0.807 4 L CB 0.500 42.481 42.059 -0.131 0.000 1.192 4 L HN 0.440 nan 8.230 nan 0.000 0.425 5 F N 4.553 124.263 119.950 -0.400 0.000 2.420 5 F HA 0.731 5.248 4.527 -0.016 0.000 0.342 5 F C 0.472 175.798 175.800 -0.791 0.000 1.113 5 F CA -0.282 57.315 58.000 -0.671 0.000 1.059 5 F CB 1.747 40.121 39.000 -1.044 0.000 1.128 5 F HN 0.638 nan 8.300 nan 0.000 0.475 6 A N 2.592 125.133 122.820 -0.465 0.000 2.381 6 A HA 0.771 5.081 4.320 -0.016 0.000 0.299 6 A C -0.874 176.575 177.584 -0.225 0.000 1.049 6 A CA -0.503 51.344 52.037 -0.317 0.000 0.715 6 A CB 1.250 20.139 19.000 -0.185 0.000 1.222 6 A HN 0.732 nan 8.150 nan 0.000 0.428 7 S N 2.018 117.642 115.700 -0.125 0.000 2.618 7 S HA 0.764 5.225 4.470 -0.016 0.000 0.277 7 S C -0.558 174.046 174.600 0.006 0.000 1.138 7 S CA -0.842 57.340 58.200 -0.029 0.000 0.844 7 S CB 0.627 63.863 63.200 0.060 0.000 1.127 7 S HN 0.712 nan 8.310 nan 0.000 0.474 8 L N 1.296 122.505 121.223 -0.023 0.000 2.483 8 L HA 0.326 4.656 4.340 -0.016 0.000 0.275 8 L C 1.443 178.356 176.870 0.073 0.000 1.220 8 L CA -0.022 54.809 54.840 -0.014 0.000 0.833 8 L CB 0.120 42.051 42.059 -0.214 0.000 1.102 8 L HN 1.090 nan 8.230 nan 0.000 0.490 9 G N 0.955 109.838 108.800 0.138 0.000 3.471 9 G HA2 0.222 4.173 3.960 -0.016 0.000 0.254 9 G HA3 0.222 4.173 3.960 -0.016 0.000 0.254 9 G C 0.304 175.430 174.900 0.376 0.000 1.199 9 G CA 0.052 45.299 45.100 0.244 0.000 1.683 9 G HN 0.683 nan 8.290 nan 0.000 0.625 10 T N -4.374 110.351 114.554 0.285 0.000 2.906 10 T HA 0.357 4.698 4.350 -0.016 0.000 0.295 10 T C 0.815 175.632 174.700 0.195 0.000 1.075 10 T CA -0.651 61.664 62.100 0.359 0.000 1.005 10 T CB 1.631 70.735 68.868 0.395 0.000 1.136 10 T HN 0.156 nan 8.240 nan 0.000 0.498 11 H N 1.228 120.451 119.070 0.256 0.000 2.387 11 H HA 0.109 4.655 4.556 -0.016 0.000 0.299 11 H C 2.388 177.609 175.328 -0.178 0.000 1.099 11 H CA 2.259 58.218 56.048 -0.148 0.000 1.315 11 H CB -0.463 29.188 29.762 -0.186 0.000 1.380 11 H HN 0.826 nan 8.280 nan 0.000 0.513 12 G N -0.647 108.215 108.800 0.104 0.000 2.471 12 G HA2 -0.202 3.748 3.960 -0.016 0.000 0.219 12 G HA3 -0.202 3.748 3.960 -0.016 0.000 0.219 12 G C 1.192 176.018 174.900 -0.123 0.000 1.125 12 G CA 0.655 45.757 45.100 0.003 0.000 0.775 12 G HN 0.471 nan 8.290 nan 0.000 0.548 13 H N -0.796 118.300 119.070 0.044 0.000 2.639 13 H HA 0.121 4.667 4.556 -0.017 0.000 0.267 13 H C 2.242 177.557 175.328 -0.022 0.000 0.958 13 H CA 1.182 57.240 56.048 0.016 0.000 1.221 13 H CB 0.636 30.415 29.762 0.029 0.000 1.446 13 H HN 0.256 nan 8.280 nan 0.000 0.512 14 T N 0.374 114.929 114.554 0.002 0.000 2.925 14 T HA -0.050 4.291 4.350 -0.016 0.000 0.245 14 T C 1.719 176.431 174.700 0.020 0.000 1.025 14 T CA 0.276 62.326 62.100 -0.084 0.000 1.149 14 T CB -0.239 68.253 68.868 -0.627 0.000 0.866 14 T HN 0.150 nan 8.240 nan 0.000 0.437 15 Y N 1.629 121.820 120.300 -0.181 0.000 2.114 15 Y HA -0.056 4.484 4.550 -0.017 0.000 0.282 15 Y C -0.522 175.336 175.900 -0.070 0.000 1.165 15 Y CA 0.392 58.388 58.100 -0.173 0.000 1.148 15 Y CB -2.163 36.324 38.460 0.045 0.000 0.972 15 Y HN 0.273 nan 8.280 nan 0.000 0.504 16 P HA -0.145 nan 4.420 nan 0.000 0.219 16 P C 1.430 178.718 177.300 -0.020 0.000 1.146 16 P CA 1.374 64.528 63.100 0.089 0.000 0.808 16 P CB -0.057 31.679 31.700 0.060 0.000 0.779 17 L N -2.238 118.932 121.223 -0.089 0.000 2.446 17 L HA 0.047 4.377 4.340 -0.016 0.000 0.219 17 L C 2.191 179.108 176.870 0.077 0.000 1.116 17 L CA 0.833 55.611 54.840 -0.104 0.000 0.844 17 L CB -1.009 41.062 42.059 0.020 0.000 0.970 17 L HN -0.093 nan 8.230 nan 0.000 0.457 18 L N -0.135 121.088 121.223 0.001 0.000 2.079 18 L HA -0.179 4.152 4.340 -0.016 0.000 0.210 18 L C -0.231 176.688 176.870 0.082 0.000 1.081 18 L CA 1.379 56.187 54.840 -0.053 0.000 0.752 18 L CB -1.696 40.151 42.059 -0.354 0.000 0.896 18 L HN 0.265 nan 8.230 nan 0.000 0.433 19 P HA -0.208 nan 4.420 nan 0.000 0.213 19 P C 1.811 179.205 177.300 0.157 0.000 1.170 19 P CA 1.134 64.329 63.100 0.159 0.000 0.898 19 P CB 0.002 31.803 31.700 0.169 0.000 0.787 20 L N -0.409 120.936 121.223 0.203 0.000 2.043 20 L HA -0.177 4.153 4.340 -0.016 0.000 0.212 20 L C 2.225 179.180 176.870 0.140 0.000 1.075 20 L CA 2.151 57.136 54.840 0.241 0.000 0.752 20 L CB -1.573 40.732 42.059 0.411 0.000 0.891 20 L HN -0.113 nan 8.230 nan 0.000 0.432 21 A N -1.889 120.824 122.820 -0.177 0.000 1.877 21 A HA -0.221 4.089 4.320 -0.016 0.000 0.216 21 A C 2.297 179.817 177.584 -0.107 0.000 1.186 21 A CA 2.345 53.932 52.037 -0.749 0.000 0.620 21 A CB -1.214 16.958 19.000 -1.380 0.000 0.822 21 A HN 0.489 nan 8.150 nan 0.000 0.443 22 T N 0.205 114.909 114.554 0.251 0.000 2.746 22 T HA -0.036 4.305 4.350 -0.016 0.000 0.267 22 T C 2.170 176.990 174.700 0.199 0.000 1.039 22 T CA 1.602 63.906 62.100 0.340 0.000 1.142 22 T CB -0.418 68.582 68.868 0.220 0.000 0.866 22 T HN 0.602 nan 8.240 nan 0.000 0.444 23 A N 1.089 124.003 122.820 0.156 0.000 1.972 23 A HA 0.208 4.519 4.320 -0.016 0.000 0.219 23 A C 2.559 180.239 177.584 0.161 0.000 1.169 23 A CA 1.717 53.837 52.037 0.139 0.000 0.635 23 A CB -0.858 18.223 19.000 0.134 0.000 0.810 23 A HN 0.507 nan 8.150 nan 0.000 0.446 24 A N -0.116 122.822 122.820 0.197 0.000 1.872 24 A HA -0.096 4.215 4.320 -0.016 0.000 0.214 24 A C 2.241 179.975 177.584 0.249 0.000 1.187 24 A CA 1.545 53.752 52.037 0.283 0.000 0.614 24 A CB -0.494 18.702 19.000 0.327 0.000 0.826 24 A HN 0.549 nan 8.150 nan 0.000 0.442 25 R N -0.163 120.465 120.500 0.212 0.000 2.073 25 R HA -0.107 4.223 4.340 -0.016 0.000 0.234 25 R C 2.173 178.550 176.300 0.128 0.000 1.134 25 R CA 1.571 57.800 56.100 0.214 0.000 0.952 25 R CB -0.434 30.085 30.300 0.364 0.000 0.850 25 R HN 0.398 nan 8.270 nan 0.000 0.433 26 A N 0.500 123.390 122.820 0.117 0.000 2.070 26 A HA -0.010 4.301 4.320 -0.016 0.000 0.220 26 A C 2.178 179.774 177.584 0.020 0.000 1.159 26 A CA 1.387 53.462 52.037 0.062 0.000 0.656 26 A CB -0.481 18.556 19.000 0.063 0.000 0.800 26 A HN 0.545 nan 8.150 nan 0.000 0.453 27 A N -1.867 120.962 122.820 0.015 0.000 2.206 27 A HA 0.389 4.699 4.320 -0.016 0.000 0.211 27 A C 1.749 179.190 177.584 -0.240 0.000 1.158 27 A CA 1.347 53.340 52.037 -0.072 0.000 0.761 27 A CB -0.704 18.291 19.000 -0.008 0.000 0.801 27 A HN 1.797 nan 8.150 nan 0.000 0.473 28 G N -1.937 106.754 108.800 -0.181 0.000 2.168 28 G HA2 -0.144 3.806 3.960 -0.016 0.000 0.197 28 G HA3 -0.144 3.806 3.960 -0.016 0.000 0.197 28 G C -0.026 174.765 174.900 -0.183 0.000 0.997 28 G CA 0.060 45.050 45.100 -0.184 0.000 0.658 28 G HN 0.612 nan 8.290 nan 0.000 0.513 29 H N 0.769 119.882 119.070 0.071 0.000 2.482 29 H HA 0.437 4.984 4.556 -0.016 0.000 0.344 29 H C 0.102 175.481 175.328 0.084 0.000 1.151 29 H CA -0.224 55.867 56.048 0.072 0.000 1.300 29 H CB 0.931 30.742 29.762 0.082 0.000 1.494 29 H HN 0.372 nan 8.280 nan 0.000 0.542 30 E N 1.649 121.978 120.200 0.215 0.000 2.105 30 E HA 0.212 4.552 4.350 -0.016 0.000 0.285 30 E C -0.573 176.112 176.600 0.141 0.000 1.055 30 E CA -0.418 56.074 56.400 0.153 0.000 0.843 30 E CB 1.031 30.798 29.700 0.112 0.000 1.067 30 E HN 0.157 nan 8.360 nan 0.000 0.398 31 V N 3.962 123.955 119.914 0.132 0.000 2.383 31 V HA 0.164 4.275 4.120 -0.016 0.000 0.275 31 V C 0.201 176.333 176.094 0.064 0.000 1.036 31 V CA -0.280 62.039 62.300 0.032 0.000 0.889 31 V CB 1.523 33.133 31.823 -0.355 0.000 0.985 31 V HN 0.625 nan 8.190 nan 0.000 0.459 32 T N 6.074 120.679 114.554 0.085 0.000 2.779 32 T HA 0.514 4.855 4.350 -0.016 0.000 0.280 32 T C -0.830 173.940 174.700 0.117 0.000 0.987 32 T CA -0.133 62.033 62.100 0.109 0.000 0.966 32 T CB 0.764 69.674 68.868 0.070 0.000 0.933 32 T HN 0.387 nan 8.240 nan 0.000 0.442 33 F N 3.239 123.210 119.950 0.035 0.000 2.403 33 F HA 0.624 5.142 4.527 -0.016 0.000 0.355 33 F C 0.007 175.835 175.800 0.047 0.000 1.119 33 F CA -1.107 56.912 58.000 0.032 0.000 1.007 33 F CB 0.713 39.710 39.000 -0.005 0.000 1.194 33 F HN 0.634 nan 8.300 nan 0.000 0.443 34 A N 4.542 127.400 122.820 0.063 0.000 2.252 34 A HA 0.691 5.002 4.320 -0.016 0.000 0.309 34 A C -0.023 177.651 177.584 0.150 0.000 1.285 34 A CA 0.037 52.133 52.037 0.098 0.000 0.900 34 A CB 0.809 19.809 19.000 -0.000 0.000 1.157 34 A HN 0.768 nan 8.150 nan 0.000 0.536 35 T N 1.019 115.703 114.554 0.217 0.000 2.649 35 T HA 0.560 4.900 4.350 -0.016 0.000 0.305 35 T C 0.458 175.292 174.700 0.223 0.000 1.409 35 T CA 0.152 62.369 62.100 0.195 0.000 1.021 35 T CB 0.196 69.175 68.868 0.184 0.000 1.726 35 T HN 1.538 nan 8.240 nan 0.000 0.475 36 G N 1.007 109.992 108.800 0.309 0.000 2.391 36 G HA2 0.214 4.165 3.960 -0.016 0.000 0.234 36 G HA3 0.214 4.165 3.960 -0.016 0.000 0.234 36 G C 0.869 175.949 174.900 0.299 0.000 1.284 36 G CA 0.634 45.941 45.100 0.344 0.000 0.873 36 G HN 0.854 nan 8.290 nan 0.000 0.549 37 E N 1.366 121.656 120.200 0.150 0.000 2.265 37 E HA -0.062 4.278 4.350 -0.016 0.000 0.196 37 E C 2.116 178.736 176.600 0.034 0.000 0.996 37 E CA 0.823 57.280 56.400 0.095 0.000 0.832 37 E CB -0.180 29.555 29.700 0.057 0.000 0.756 37 E HN 0.499 nan 8.360 nan 0.000 0.491 38 G N 0.410 109.176 108.800 -0.056 0.000 2.509 38 G HA2 -0.178 3.772 3.960 -0.016 0.000 0.218 38 G HA3 -0.178 3.772 3.960 -0.016 0.000 0.218 38 G C 0.843 175.544 174.900 -0.332 0.000 1.124 38 G CA 0.179 45.136 45.100 -0.239 0.000 0.776 38 G HN 0.275 nan 8.290 nan 0.000 0.547 39 F N 0.988 120.910 119.950 -0.046 0.000 2.797 39 F HA 0.380 4.899 4.527 -0.014 0.000 0.302 39 F C 2.541 178.318 175.800 -0.039 0.000 1.130 39 F CA -0.053 57.911 58.000 -0.061 0.000 1.387 39 F CB 0.236 39.183 39.000 -0.089 0.000 1.107 39 F HN 0.178 nan 8.300 nan 0.000 0.577 40 A N 0.837 123.721 122.820 0.106 0.000 1.892 40 A HA -0.182 4.128 4.320 -0.016 0.000 0.218 40 A C 2.607 180.220 177.584 0.048 0.000 1.188 40 A CA 2.145 54.229 52.037 0.078 0.000 0.631 40 A CB -1.445 17.586 19.000 0.050 0.000 0.822 40 A HN 0.425 nan 8.150 nan 0.000 0.447 41 G N -1.273 107.540 108.800 0.021 0.000 2.480 41 G HA2 -0.202 3.749 3.960 -0.016 0.000 0.216 41 G HA3 -0.202 3.749 3.960 -0.016 0.000 0.216 41 G C 1.606 176.513 174.900 0.012 0.000 1.200 41 G CA 1.749 46.853 45.100 0.008 0.000 0.782 41 G HN 0.435 nan 8.290 nan 0.000 0.554 42 T N 1.538 116.115 114.554 0.038 0.000 2.720 42 T HA -0.089 4.251 4.350 -0.016 0.000 0.268 42 T C 2.443 177.113 174.700 -0.051 0.000 1.037 42 T CA 1.179 63.302 62.100 0.040 0.000 1.144 42 T CB -0.262 68.674 68.868 0.113 0.000 0.864 42 T HN 0.158 nan 8.240 nan 0.000 0.444 43 L N 0.380 121.581 121.223 -0.036 0.000 1.989 43 L HA -0.137 4.194 4.340 -0.016 0.000 0.211 43 L C 2.933 179.758 176.870 -0.076 0.000 1.071 43 L CA 1.585 56.398 54.840 -0.046 0.000 0.749 43 L CB -0.542 41.556 42.059 0.065 0.000 0.890 43 L HN 0.177 nan 8.230 nan 0.000 0.431 44 R N 0.074 120.561 120.500 -0.021 0.000 2.096 44 R HA -0.181 4.150 4.340 -0.016 0.000 0.235 44 R C 2.278 178.524 176.300 -0.090 0.000 1.127 44 R CA 1.139 57.224 56.100 -0.026 0.000 0.968 44 R CB -0.291 30.012 30.300 0.005 0.000 0.861 44 R HN 0.285 nan 8.270 nan 0.000 0.440 45 K N 1.084 121.427 120.400 -0.096 0.000 2.283 45 K HA -0.052 4.259 4.320 -0.016 0.000 0.202 45 K C 1.561 178.051 176.600 -0.185 0.000 1.048 45 K CA 0.810 57.036 56.287 -0.102 0.000 0.948 45 K CB 0.137 32.603 32.500 -0.057 0.000 0.742 45 K HN 0.160 nan 8.250 nan 0.000 0.458 46 L N -0.648 120.368 121.223 -0.345 0.000 2.592 46 L HA 0.161 4.492 4.340 -0.016 0.000 0.227 46 L C 0.933 177.369 176.870 -0.723 0.000 1.127 46 L CA 0.412 54.882 54.840 -0.618 0.000 0.884 46 L CB 0.318 41.755 42.059 -1.037 0.000 1.065 46 L HN 0.453 nan 8.230 nan 0.000 0.457 47 G N -0.229 108.330 108.800 -0.401 0.000 2.137 47 G HA2 -0.261 3.690 3.960 -0.016 0.000 0.237 47 G HA3 -0.261 3.690 3.960 -0.016 0.000 0.237 47 G C -0.062 174.876 174.900 0.062 0.000 1.002 47 G CA -0.386 44.621 45.100 -0.154 0.000 0.702 47 G HN 0.096 nan 8.290 nan 0.000 0.515 48 F N 0.018 119.977 119.950 0.016 0.000 2.408 48 F HA 0.728 5.246 4.527 -0.015 0.000 0.325 48 F C 0.631 176.466 175.800 0.059 0.000 1.082 48 F CA -2.535 55.491 58.000 0.043 0.000 1.032 48 F CB 1.250 40.274 39.000 0.040 0.000 1.259 48 F HN 0.023 nan 8.300 nan 0.000 0.503 49 E N 4.189 124.565 120.200 0.293 0.000 2.046 49 E HA 0.289 4.630 4.350 -0.016 0.000 0.279 49 E C -2.676 174.041 176.600 0.196 0.000 0.989 49 E CA -2.684 53.828 56.400 0.187 0.000 0.798 49 E CB 0.535 30.316 29.700 0.136 0.000 1.086 49 E HN 0.082 nan 8.360 nan 0.000 0.399 50 P HA 0.090 nan 4.420 nan 0.000 0.275 50 P C -0.823 176.561 177.300 0.140 0.000 1.227 50 P CA -0.344 62.861 63.100 0.177 0.000 0.781 50 P CB 1.220 33.002 31.700 0.136 0.000 0.906 51 V N 2.712 122.717 119.914 0.151 0.000 2.525 51 V HA 0.464 4.575 4.120 -0.016 0.000 0.299 51 V C 0.263 176.423 176.094 0.111 0.000 1.034 51 V CA -0.978 61.386 62.300 0.106 0.000 0.863 51 V CB 1.732 33.602 31.823 0.078 0.000 0.999 51 V HN 0.690 nan 8.190 nan 0.000 0.423 52 A N 4.093 126.966 122.820 0.089 0.000 2.395 52 A HA 0.701 5.012 4.320 -0.016 0.000 0.286 52 A C 0.500 178.128 177.584 0.073 0.000 1.193 52 A CA 0.324 52.415 52.037 0.090 0.000 0.852 52 A CB -0.023 19.020 19.000 0.071 0.000 1.118 52 A HN 1.055 nan 8.150 nan 0.000 0.524 53 T N -0.278 114.327 114.554 0.085 0.000 2.838 53 T HA 0.876 5.216 4.350 -0.016 0.000 0.292 53 T C 0.277 175.024 174.700 0.077 0.000 1.113 53 T CA 0.056 62.195 62.100 0.065 0.000 1.008 53 T CB 1.203 70.100 68.868 0.049 0.000 1.259 53 T HN 2.530 nan 8.240 nan 0.000 0.520 57 V N 0.655 120.717 119.914 0.247 0.000 2.324 57 V HA -0.261 3.849 4.120 -0.016 0.000 0.250 57 V C 1.906 178.232 176.094 0.386 0.000 1.060 57 V CA 2.293 64.771 62.300 0.296 0.000 1.042 57 V CB -0.753 31.335 31.823 0.443 0.000 0.650 57 V HN 0.756 nan 8.190 nan 0.000 0.450 58 F N 1.499 121.586 119.950 0.228 0.000 2.095 58 F HA -0.223 4.294 4.527 -0.016 0.000 0.298 58 F C 2.299 178.214 175.800 0.192 0.000 1.104 58 F CA 2.182 60.305 58.000 0.206 0.000 1.232 58 F CB -0.471 38.599 39.000 0.117 0.000 0.987 58 F HN 0.278 nan 8.300 nan 0.000 0.475 59 D N -0.156 120.306 120.400 0.103 0.000 2.219 59 D HA -0.114 4.517 4.640 -0.016 0.000 0.205 59 D C 2.419 178.668 176.300 -0.085 0.000 0.970 59 D CA 1.281 55.256 54.000 -0.042 0.000 0.851 59 D CB -0.678 40.162 40.800 0.066 0.000 0.943 59 D HN 0.498 nan 8.370 nan 0.000 0.488 60 G N 0.355 109.116 108.800 -0.065 0.000 2.422 60 G HA2 -0.241 3.710 3.960 -0.016 0.000 0.218 60 G HA3 -0.241 3.710 3.960 -0.016 0.000 0.218 60 G C 1.383 176.123 174.900 -0.266 0.000 1.146 60 G CA 0.172 45.149 45.100 -0.206 0.000 0.769 60 G HN 0.184 nan 8.290 nan 0.000 0.547 61 F N 0.363 120.197 119.950 -0.194 0.000 2.293 61 F HA 0.212 4.729 4.527 -0.016 0.000 0.297 61 F C 2.551 178.235 175.800 -0.194 0.000 1.089 61 F CA 0.413 58.316 58.000 -0.161 0.000 1.377 61 F CB -0.076 38.856 39.000 -0.113 0.000 1.051 61 F HN 0.012 nan 8.300 nan 0.000 0.511 62 L N -0.650 120.488 121.223 -0.142 0.000 2.046 62 L HA -0.237 4.094 4.340 -0.016 0.000 0.208 62 L C 2.696 179.518 176.870 -0.081 0.000 1.077 62 L CA 1.246 55.989 54.840 -0.163 0.000 0.747 62 L CB -0.920 40.991 42.059 -0.245 0.000 0.896 62 L HN 0.143 nan 8.230 nan 0.000 0.432 63 A N -0.183 122.580 122.820 -0.095 0.000 1.898 63 A HA -0.121 4.190 4.320 -0.016 0.000 0.216 63 A C 2.506 180.038 177.584 -0.086 0.000 1.181 63 A CA 1.554 53.542 52.037 -0.083 0.000 0.620 63 A CB -0.673 18.270 19.000 -0.096 0.000 0.819 63 A HN 0.393 nan 8.150 nan 0.000 0.442 64 A N -0.741 122.008 122.820 -0.119 0.000 1.933 64 A HA -0.019 4.292 4.320 -0.016 0.000 0.218 64 A C 2.060 179.618 177.584 -0.044 0.000 1.175 64 A CA 1.660 53.624 52.037 -0.122 0.000 0.628 64 A CB -0.537 18.343 19.000 -0.200 0.000 0.814 64 A HN 0.471 nan 8.150 nan 0.000 0.444 65 L N -0.071 121.171 121.223 0.032 0.000 2.046 65 L HA -0.139 4.192 4.340 -0.016 0.000 0.208 65 L C 2.542 179.464 176.870 0.087 0.000 1.077 65 L CA 1.853 56.770 54.840 0.128 0.000 0.747 65 L CB -0.601 41.529 42.059 0.118 0.000 0.896 65 L HN 0.366 nan 8.230 nan 0.000 0.432 66 R N -0.937 119.576 120.500 0.021 0.000 2.073 66 R HA -0.062 4.269 4.340 -0.016 0.000 0.229 66 R C 2.271 178.556 176.300 -0.026 0.000 1.120 66 R CA 1.583 57.688 56.100 0.008 0.000 0.967 66 R CB -0.409 29.887 30.300 -0.008 0.000 0.862 66 R HN 0.346 nan 8.270 nan 0.000 0.436 67 I N 0.328 120.860 120.570 -0.064 0.000 2.226 67 I HA -0.255 3.906 4.170 -0.016 0.000 0.245 67 I C 2.607 178.631 176.117 -0.155 0.000 1.100 67 I CA 1.168 62.410 61.300 -0.097 0.000 1.374 67 I CB -0.126 37.808 38.000 -0.110 0.000 1.057 67 I HN 0.057 nan 8.210 nan 0.000 0.413 68 R N 0.865 121.220 120.500 -0.241 0.000 2.075 68 R HA 0.012 4.343 4.340 -0.016 0.000 0.220 68 R C 1.206 177.128 176.300 -0.631 0.000 1.118 68 R CA 1.631 57.413 56.100 -0.530 0.000 0.986 68 R CB -0.153 29.668 30.300 -0.798 0.000 0.884 68 R HN 0.208 nan 8.270 nan 0.000 0.439 69 F N 0.366 120.317 119.950 0.002 0.000 2.729 69 F HA 0.319 4.837 4.527 -0.016 0.000 0.315 69 F C -0.145 175.657 175.800 0.004 0.000 1.102 69 F CA -0.694 57.309 58.000 0.006 0.000 1.204 69 F CB 0.326 39.335 39.000 0.015 0.000 1.052 69 F HN -0.009 nan 8.300 nan 0.000 0.551 70 D N 2.139 122.602 120.400 0.105 0.000 2.697 70 D HA -0.222 4.408 4.640 -0.016 0.000 0.235 70 D C -0.119 176.232 176.300 0.085 0.000 1.167 70 D CA 1.358 55.399 54.000 0.068 0.000 0.656 70 D CB -0.523 40.307 40.800 0.049 0.000 1.025 70 D HN 0.347 nan 8.370 nan 0.000 0.419 71 T N -0.449 114.165 114.554 0.100 0.000 2.853 71 T HA 0.433 4.774 4.350 -0.016 0.000 0.311 71 T C -0.429 174.311 174.700 0.066 0.000 1.307 71 T CA -0.046 62.102 62.100 0.081 0.000 1.019 71 T CB 1.311 70.233 68.868 0.091 0.000 1.264 71 T HN 0.014 nan 8.240 nan 0.000 0.497 72 D N 0.805 121.234 120.400 0.048 0.000 2.501 72 D HA 0.375 5.005 4.640 -0.016 0.000 0.226 72 D C 0.071 176.395 176.300 0.040 0.000 1.198 72 D CA -0.319 53.702 54.000 0.035 0.000 0.830 72 D CB 0.310 41.127 40.800 0.029 0.000 1.014 72 D HN 0.299 nan 8.370 nan 0.000 0.496 73 S N -0.034 115.695 115.700 0.049 0.000 2.536 73 S HA 0.500 4.960 4.470 -0.016 0.000 0.271 73 S C -2.464 172.160 174.600 0.041 0.000 1.134 73 S CA -1.266 56.962 58.200 0.048 0.000 0.897 73 S CB 1.959 65.184 63.200 0.041 0.000 1.094 73 S HN -0.234 nan 8.310 nan 0.000 0.473 74 P HA 0.128 nan 4.420 nan 0.000 0.236 74 P C -0.335 176.957 177.300 -0.013 0.000 1.177 74 P CA 0.269 63.382 63.100 0.022 0.000 0.773 74 P CB -0.014 31.712 31.700 0.043 0.000 0.878 75 E N 0.125 120.324 120.200 -0.001 0.000 2.414 75 E HA 0.248 4.588 4.350 -0.016 0.000 0.263 75 E C 1.226 177.804 176.600 -0.037 0.000 1.000 75 E CA 0.675 57.069 56.400 -0.011 0.000 0.914 75 E CB -0.284 29.418 29.700 0.003 0.000 0.948 75 E HN 0.151 nan 8.360 nan 0.000 0.444 76 G N 2.599 111.374 108.800 -0.042 0.000 2.205 76 G HA2 -0.297 3.654 3.960 -0.016 0.000 0.261 76 G HA3 -0.297 3.654 3.960 -0.016 0.000 0.261 76 G C 0.133 174.972 174.900 -0.102 0.000 0.980 76 G CA -0.014 45.051 45.100 -0.057 0.000 0.632 76 G HN 0.385 nan 8.290 nan 0.000 0.533 77 L N 1.729 122.873 121.223 -0.131 0.000 2.322 77 L HA 0.607 4.937 4.340 -0.016 0.000 0.279 77 L C 1.263 178.059 176.870 -0.123 0.000 1.036 77 L CA -0.369 54.343 54.840 -0.214 0.000 0.807 77 L CB 1.674 43.532 42.059 -0.334 0.000 1.226 77 L HN 0.332 nan 8.230 nan 0.000 0.433 78 T N -1.536 112.949 114.554 -0.115 0.000 2.882 78 T HA 0.251 4.591 4.350 -0.016 0.000 0.287 78 T C -1.710 172.986 174.700 -0.007 0.000 1.014 78 T CA -1.717 60.358 62.100 -0.042 0.000 1.049 78 T CB 1.252 70.105 68.868 -0.026 0.000 1.001 78 T HN 0.416 nan 8.240 nan 0.000 0.525 79 P HA -0.113 nan 4.420 nan 0.000 0.218 79 P C 1.042 178.387 177.300 0.074 0.000 1.148 79 P CA 1.124 64.268 63.100 0.074 0.000 0.822 79 P CB 0.174 31.930 31.700 0.095 0.000 0.784 80 E N 0.275 120.507 120.200 0.053 0.000 2.038 80 E HA -0.196 4.145 4.350 -0.016 0.000 0.195 80 E C 2.407 179.059 176.600 0.087 0.000 1.000 80 E CA 1.432 57.866 56.400 0.058 0.000 0.803 80 E CB -0.794 28.931 29.700 0.041 0.000 0.750 80 E HN 0.392 nan 8.360 nan 0.000 0.448 81 Q N -0.134 119.706 119.800 0.066 0.000 2.084 81 Q HA -0.075 4.256 4.340 -0.016 0.000 0.202 81 Q C 2.216 178.364 176.000 0.246 0.000 0.978 81 Q CA 0.980 56.861 55.803 0.130 0.000 0.844 81 Q CB -0.125 28.503 28.738 -0.182 0.000 0.898 81 Q HN 0.291 nan 8.270 nan 0.000 0.426 82 L N 0.212 121.519 121.223 0.140 0.000 2.362 82 L HA -0.104 4.226 4.340 -0.016 0.000 0.219 82 L C 2.019 179.036 176.870 0.246 0.000 1.134 82 L CA 0.439 55.410 54.840 0.219 0.000 0.807 82 L CB -0.122 42.026 42.059 0.147 0.000 0.927 82 L HN 0.098 nan 8.230 nan 0.000 0.447 83 S N -0.492 115.318 115.700 0.183 0.000 2.522 83 S HA -0.076 4.385 4.470 -0.016 0.000 0.227 83 S C 1.527 176.212 174.600 0.143 0.000 0.986 83 S CA 0.597 58.884 58.200 0.146 0.000 0.929 83 S CB -0.089 63.161 63.200 0.083 0.000 0.769 83 S HN 0.489 nan 8.310 nan 0.000 0.529 84 E N 0.827 121.131 120.200 0.173 0.000 2.481 84 E HA 0.108 4.448 4.350 -0.016 0.000 0.195 84 E C 1.381 178.031 176.600 0.084 0.000 1.047 84 E CA 0.189 56.657 56.400 0.113 0.000 0.867 84 E CB -0.064 29.703 29.700 0.110 0.000 0.858 84 E HN 0.466 nan 8.360 nan 0.000 0.513 85 L N 0.663 121.985 121.223 0.165 0.000 2.095 85 L HA -0.022 4.309 4.340 -0.016 0.000 0.204 85 L C -0.646 176.218 176.870 -0.009 0.000 1.080 85 L CA 0.741 55.648 54.840 0.111 0.000 0.759 85 L CB -1.392 40.848 42.059 0.302 0.000 0.914 85 L HN 0.026 nan 8.230 nan 0.000 0.439 86 P HA -0.246 nan 4.420 nan 0.000 0.216 86 P C 1.507 178.885 177.300 0.129 0.000 1.154 86 P CA 1.454 64.647 63.100 0.155 0.000 0.865 86 P CB -0.178 31.681 31.700 0.265 0.000 0.789 87 Q N -0.448 119.391 119.800 0.065 0.000 2.170 87 Q HA -0.128 4.203 4.340 -0.016 0.000 0.203 87 Q C 2.067 178.051 176.000 -0.028 0.000 0.976 87 Q CA 1.541 57.362 55.803 0.030 0.000 0.858 87 Q CB -1.263 27.471 28.738 -0.008 0.000 0.907 87 Q HN 0.320 nan 8.270 nan 0.000 0.433 88 I N 0.941 121.460 120.570 -0.084 0.000 2.439 88 I HA -0.170 3.990 4.170 -0.016 0.000 0.251 88 I C 2.306 178.303 176.117 -0.200 0.000 1.139 88 I CA 0.503 61.723 61.300 -0.134 0.000 1.438 88 I CB -0.134 37.775 38.000 -0.151 0.000 1.085 88 I HN -0.022 nan 8.210 nan 0.000 0.427 89 V N 0.570 120.292 119.914 -0.319 0.000 2.283 89 V HA -0.223 3.887 4.120 -0.016 0.000 0.243 89 V C 1.883 177.663 176.094 -0.523 0.000 1.039 89 V CA 1.978 63.929 62.300 -0.582 0.000 1.016 89 V CB -0.584 30.569 31.823 -1.117 0.000 0.650 89 V HN 0.266 nan 8.190 nan 0.000 0.449 90 F N 0.505 120.390 119.950 -0.108 0.000 2.765 90 F HA 0.341 4.860 4.527 -0.013 0.000 0.302 90 F C 2.013 177.832 175.800 0.033 0.000 1.111 90 F CA 0.702 58.700 58.000 -0.003 0.000 1.359 90 F CB -0.326 38.702 39.000 0.046 0.000 1.097 90 F HN 0.168 nan 8.300 nan 0.000 0.577 91 G N -0.576 108.270 108.800 0.077 0.000 2.673 91 G HA2 0.054 4.005 3.960 -0.016 0.000 0.208 91 G HA3 0.054 4.005 3.960 -0.016 0.000 0.208 91 G C 1.619 176.491 174.900 -0.046 0.000 1.128 91 G CA 0.110 45.196 45.100 -0.023 0.000 0.805 91 G HN 0.219 nan 8.290 nan 0.000 0.526 92 R N -0.874 119.590 120.500 -0.059 0.000 3.007 92 R HA 0.199 4.529 4.340 -0.016 0.000 0.162 92 R C 2.310 178.569 176.300 -0.067 0.000 1.083 92 R CA 0.541 56.599 56.100 -0.070 0.000 1.093 92 R CB -0.320 29.927 30.300 -0.089 0.000 1.305 92 R HN 0.032 nan 8.270 nan 0.000 0.511 93 V N 2.483 122.332 119.914 -0.107 0.000 2.215 93 V HA -0.330 3.781 4.120 -0.016 0.000 0.249 93 V C 2.494 178.540 176.094 -0.080 0.000 1.054 93 V CA 2.353 64.586 62.300 -0.110 0.000 1.012 93 V CB -0.497 31.223 31.823 -0.172 0.000 0.639 93 V HN 0.345 nan 8.190 nan 0.000 0.448 94 I N -0.029 120.472 120.570 -0.114 0.000 2.179 94 I HA -0.160 4.000 4.170 -0.016 0.000 0.242 94 I C -0.131 176.003 176.117 0.028 0.000 1.088 94 I CA 1.720 62.985 61.300 -0.058 0.000 1.357 94 I CB -1.547 36.393 38.000 -0.101 0.000 1.051 94 I HN 0.372 nan 8.210 nan 0.000 0.409 95 P HA -0.215 nan 4.420 nan 0.000 0.216 95 P C 1.485 178.857 177.300 0.120 0.000 1.150 95 P CA 1.346 64.520 63.100 0.123 0.000 0.837 95 P CB 0.014 31.799 31.700 0.141 0.000 0.786 96 Q N -0.036 119.801 119.800 0.061 0.000 2.046 96 Q HA -0.193 4.138 4.340 -0.016 0.000 0.200 96 Q C 2.353 178.435 176.000 0.137 0.000 0.975 96 Q CA 1.668 57.517 55.803 0.077 0.000 0.836 96 Q CB -0.652 28.092 28.738 0.011 0.000 0.896 96 Q HN -0.128 nan 8.270 nan 0.000 0.428 97 R N -0.614 119.932 120.500 0.076 0.000 2.081 97 R HA -0.051 4.280 4.340 -0.016 0.000 0.235 97 R C 1.972 178.318 176.300 0.076 0.000 1.131 97 R CA 1.772 57.910 56.100 0.064 0.000 0.960 97 R CB -0.835 29.483 30.300 0.030 0.000 0.856 97 R HN 0.251 nan 8.270 nan 0.000 0.436 98 V N 0.702 120.669 119.914 0.088 0.000 2.358 98 V HA -0.162 3.949 4.120 -0.016 0.000 0.246 98 V C 2.053 178.199 176.094 0.087 0.000 1.047 98 V CA 1.883 64.229 62.300 0.076 0.000 1.035 98 V CB -0.742 31.128 31.823 0.078 0.000 0.658 98 V HN 0.348 nan 8.190 nan 0.000 0.452 99 F N 1.598 121.546 119.950 -0.002 0.000 2.095 99 F HA -0.223 4.294 4.527 -0.016 0.000 0.298 99 F C 2.208 177.998 175.800 -0.017 0.000 1.104 99 F CA 2.171 60.162 58.000 -0.014 0.000 1.232 99 F CB -0.364 38.631 39.000 -0.009 0.000 0.987 99 F HN 0.195 nan 8.300 nan 0.000 0.475 100 D N 0.453 120.900 120.400 0.077 0.000 2.123 100 D HA -0.183 4.448 4.640 -0.016 0.000 0.196 100 D C 2.126 178.356 176.300 -0.117 0.000 0.992 100 D CA 1.787 55.763 54.000 -0.040 0.000 0.833 100 D CB -0.402 40.447 40.800 0.082 0.000 0.954 100 D HN 0.529 nan 8.370 nan 0.000 0.455 101 E N -0.118 120.046 120.200 -0.061 0.000 2.208 101 E HA -0.010 4.331 4.350 -0.016 0.000 0.193 101 E C 2.161 178.708 176.600 -0.088 0.000 0.988 101 E CA 0.195 56.563 56.400 -0.053 0.000 0.828 101 E CB 0.116 29.809 29.700 -0.012 0.000 0.763 101 E HN 0.257 nan 8.360 nan 0.000 0.478 102 L N 0.665 121.808 121.223 -0.134 0.000 2.341 102 L HA -0.097 4.234 4.340 -0.016 0.000 0.214 102 L C 2.302 179.054 176.870 -0.196 0.000 1.115 102 L CA 0.498 55.251 54.840 -0.145 0.000 0.820 102 L CB -0.181 41.795 42.059 -0.138 0.000 0.944 102 L HN 0.159 nan 8.230 nan 0.000 0.452 103 Q N 0.357 119.983 119.800 -0.290 0.000 2.045 103 Q HA -0.228 4.102 4.340 -0.016 0.000 0.206 103 Q C -0.398 175.506 176.000 -0.160 0.000 0.991 103 Q CA 2.076 57.709 55.803 -0.283 0.000 0.851 103 Q CB -1.055 27.483 28.738 -0.334 0.000 0.911 103 Q HN 0.431 nan 8.270 nan 0.000 0.418 104 P HA -0.116 nan 4.420 nan 0.000 0.215 104 P C 1.481 178.743 177.300 -0.064 0.000 1.157 104 P CA 1.012 64.067 63.100 -0.076 0.000 0.859 104 P CB -0.051 31.615 31.700 -0.057 0.000 0.786 105 V N 0.126 120.001 119.914 -0.065 0.000 2.282 105 V HA -0.262 3.848 4.120 -0.016 0.000 0.249 105 V C 2.401 178.463 176.094 -0.054 0.000 1.057 105 V CA 1.827 64.098 62.300 -0.048 0.000 1.032 105 V CB -1.178 30.618 31.823 -0.044 0.000 0.645 105 V HN 0.058 nan 8.190 nan 0.000 0.447 106 I N -0.294 120.229 120.570 -0.078 0.000 2.394 106 I HA -0.201 3.960 4.170 -0.016 0.000 0.251 106 I C 2.580 178.659 176.117 -0.063 0.000 1.136 106 I CA 1.451 62.704 61.300 -0.077 0.000 1.425 106 I CB -0.356 37.583 38.000 -0.102 0.000 1.079 106 I HN 0.357 nan 8.210 nan 0.000 0.425 107 E N 1.770 121.931 120.200 -0.065 0.000 2.031 107 E HA -0.241 4.099 4.350 -0.016 0.000 0.193 107 E C 2.337 178.915 176.600 -0.036 0.000 0.994 107 E CA 1.666 58.035 56.400 -0.052 0.000 0.800 107 E CB -0.114 29.555 29.700 -0.053 0.000 0.752 107 E HN 0.359 nan 8.360 nan 0.000 0.447 108 R N 0.551 121.032 120.500 -0.031 0.000 2.066 108 R HA -0.043 4.288 4.340 -0.016 0.000 0.224 108 R C 2.369 178.660 176.300 -0.015 0.000 1.122 108 R CA 1.281 57.369 56.100 -0.019 0.000 0.974 108 R CB -1.352 28.940 30.300 -0.014 0.000 0.871 108 R HN 0.338 nan 8.270 nan 0.000 0.435 109 L N 1.673 122.886 121.223 -0.016 0.000 2.013 109 L HA -0.074 4.256 4.340 -0.016 0.000 0.212 109 L C 0.910 177.771 176.870 -0.015 0.000 1.073 109 L CA 2.115 56.948 54.840 -0.011 0.000 0.753 109 L CB -0.675 41.376 42.059 -0.012 0.000 0.890 109 L HN 0.557 nan 8.230 nan 0.000 0.432 110 R N -0.275 120.209 120.500 -0.026 0.000 3.144 110 R HA -0.108 4.223 4.340 -0.016 0.000 0.255 110 R C -2.235 174.048 176.300 -0.029 0.000 0.949 110 R CA 0.374 56.458 56.100 -0.028 0.000 0.649 110 R CB -1.550 28.739 30.300 -0.019 0.000 1.229 110 R HN 0.401 nan 8.270 nan 0.000 0.440 111 P HA 0.042 nan 4.420 nan 0.000 0.271 111 P C -0.211 177.057 177.300 -0.053 0.000 1.218 111 P CA -0.025 63.047 63.100 -0.047 0.000 0.780 111 P CB 0.585 32.243 31.700 -0.069 0.000 0.901 112 D N 0.697 121.065 120.400 -0.052 0.000 2.323 112 D HA 0.055 4.686 4.640 -0.016 0.000 0.209 112 D C 0.491 176.747 176.300 -0.072 0.000 0.973 112 D CA 1.013 54.982 54.000 -0.052 0.000 0.874 112 D CB 0.344 41.118 40.800 -0.043 0.000 0.930 112 D HN 0.174 nan 8.370 nan 0.000 0.521 113 L N 0.270 121.430 121.223 -0.105 0.000 2.505 113 L HA 0.316 4.647 4.340 -0.016 0.000 0.259 113 L C -1.718 175.034 176.870 -0.197 0.000 0.952 113 L CA -0.756 54.002 54.840 -0.136 0.000 0.840 113 L CB 2.617 44.591 42.059 -0.143 0.000 1.358 113 L HN -0.368 nan 8.230 nan 0.000 0.409 114 V N 4.624 124.409 119.914 -0.216 0.000 2.444 114 V HA 0.469 4.580 4.120 -0.016 0.000 0.294 114 V C -0.617 175.269 176.094 -0.347 0.000 1.022 114 V CA -0.681 61.455 62.300 -0.273 0.000 0.850 114 V CB 1.890 33.594 31.823 -0.199 0.000 0.992 114 V HN 0.482 nan 8.190 nan 0.000 0.426 115 V N 5.604 125.192 119.914 -0.543 0.000 2.304 115 V HA 0.276 4.386 4.120 -0.016 0.000 0.262 115 V C 0.351 176.228 176.094 -0.362 0.000 1.061 115 V CA -0.265 61.706 62.300 -0.549 0.000 0.872 115 V CB 1.005 32.221 31.823 -1.011 0.000 1.077 115 V HN 0.917 nan 8.190 nan 0.000 0.480 116 Q N 4.379 124.056 119.800 -0.204 0.000 2.294 116 Q HA 0.185 4.516 4.340 -0.016 0.000 0.257 116 Q C 0.145 176.110 176.000 -0.059 0.000 0.955 116 Q CA -0.393 55.341 55.803 -0.116 0.000 0.936 116 Q CB 0.992 29.708 28.738 -0.036 0.000 1.188 116 Q HN 0.749 nan 8.270 nan 0.000 0.420 117 E N 4.854 125.011 120.200 -0.072 0.000 2.415 117 E HA -0.097 4.243 4.350 -0.016 0.000 0.263 117 E C 0.845 177.420 176.600 -0.042 0.000 0.995 117 E CA 0.026 56.406 56.400 -0.033 0.000 0.915 117 E CB 0.596 30.280 29.700 -0.027 0.000 0.951 117 E HN 0.906 nan 8.360 nan 0.000 0.449 118 I N 3.827 124.404 120.570 0.012 0.000 2.185 118 I HA -0.364 3.797 4.170 -0.016 0.000 0.246 118 I C 1.611 177.517 176.117 -0.352 0.000 1.088 118 I CA 1.652 62.946 61.300 -0.010 0.000 1.347 118 I CB 0.098 38.196 38.000 0.164 0.000 1.041 118 I HN 0.378 nan 8.210 nan 0.000 0.415 119 S N 0.424 115.943 115.700 -0.303 0.000 2.496 119 S HA -0.023 4.437 4.470 -0.016 0.000 0.224 119 S C 0.994 175.240 174.600 -0.590 0.000 0.996 119 S CA 0.142 58.017 58.200 -0.542 0.000 0.927 119 S CB -0.390 62.689 63.200 -0.202 0.000 0.774 119 S HN 0.446 nan 8.310 nan 0.000 0.524 120 N N 1.349 119.842 118.700 -0.346 0.000 3.178 120 N HA 0.096 4.827 4.740 -0.016 0.000 0.300 120 N C 0.089 175.568 175.510 -0.051 0.000 1.242 120 N CA -0.179 52.783 53.050 -0.147 0.000 1.192 120 N CB -0.543 37.895 38.487 -0.083 0.000 1.463 120 N HN 0.284 nan 8.380 nan 0.000 0.539 121 Y N -0.567 119.835 120.300 0.169 0.000 2.403 121 Y HA -0.022 4.517 4.550 -0.018 0.000 0.291 121 Y C 2.325 178.363 175.900 0.230 0.000 1.143 121 Y CA 1.122 59.401 58.100 0.297 0.000 1.257 121 Y CB -0.408 38.201 38.460 0.249 0.000 0.984 121 Y HN 0.393 nan 8.280 nan 0.000 0.550 122 G N -0.194 108.770 108.800 0.273 0.000 2.422 122 G HA2 -0.224 3.726 3.960 -0.016 0.000 0.218 122 G HA3 -0.224 3.726 3.960 -0.016 0.000 0.218 122 G C 1.908 176.905 174.900 0.161 0.000 1.146 122 G CA 0.926 46.158 45.100 0.220 0.000 0.769 122 G HN 0.479 nan 8.290 nan 0.000 0.547 123 A N 0.769 123.635 122.820 0.077 0.000 1.930 123 A HA 0.227 4.538 4.320 -0.016 0.000 0.217 123 A C 2.674 180.219 177.584 -0.065 0.000 1.175 123 A CA 1.895 53.927 52.037 -0.009 0.000 0.627 123 A CB -0.870 18.100 19.000 -0.050 0.000 0.815 123 A HN 0.477 nan 8.150 nan 0.000 0.443 124 G N -0.294 108.459 108.800 -0.078 0.000 2.408 124 G HA2 -0.102 3.848 3.960 -0.016 0.000 0.217 124 G HA3 -0.102 3.848 3.960 -0.016 0.000 0.217 124 G C 1.534 176.052 174.900 -0.637 0.000 1.150 124 G CA 0.962 45.809 45.100 -0.422 0.000 0.776 124 G HN 0.422 nan 8.290 nan 0.000 0.542 125 L N 0.419 121.450 121.223 -0.320 0.000 2.072 125 L HA 0.057 4.387 4.340 -0.016 0.000 0.205 125 L C 3.372 180.335 176.870 0.155 0.000 1.079 125 L CA 0.874 55.643 54.840 -0.117 0.000 0.752 125 L CB -0.350 41.719 42.059 0.017 0.000 0.906 125 L HN 0.290 nan 8.230 nan 0.000 0.436 126 A N 0.085 123.038 122.820 0.223 0.000 1.933 126 A HA -0.144 4.166 4.320 -0.016 0.000 0.218 126 A C 2.493 180.033 177.584 -0.074 0.000 1.175 126 A CA 1.683 53.716 52.037 -0.007 0.000 0.628 126 A CB -0.583 18.301 19.000 -0.193 0.000 0.814 126 A HN 0.398 nan 8.150 nan 0.000 0.444 127 A N -0.492 122.267 122.820 -0.103 0.000 1.898 127 A HA 0.047 4.357 4.320 -0.016 0.000 0.216 127 A C 2.110 179.629 177.584 -0.109 0.000 1.181 127 A CA 1.582 53.547 52.037 -0.120 0.000 0.620 127 A CB -0.612 18.299 19.000 -0.147 0.000 0.819 127 A HN 0.662 nan 8.150 nan 0.000 0.442 128 L N 0.168 121.306 121.223 -0.143 0.000 1.970 128 L HA -0.178 4.153 4.340 -0.016 0.000 0.212 128 L C 2.313 179.159 176.870 -0.040 0.000 1.071 128 L CA 2.900 57.672 54.840 -0.112 0.000 0.751 128 L CB -0.714 41.242 42.059 -0.172 0.000 0.889 128 L HN 0.396 nan 8.230 nan 0.000 0.432 129 K N -0.207 120.199 120.400 0.010 0.000 2.059 129 K HA -0.183 4.128 4.320 -0.016 0.000 0.212 129 K C 1.816 178.415 176.600 -0.001 0.000 1.050 129 K CA 1.956 58.271 56.287 0.046 0.000 0.927 129 K CB -0.547 32.043 32.500 0.150 0.000 0.714 129 K HN 0.482 nan 8.250 nan 0.000 0.447 130 A N -0.832 121.968 122.820 -0.033 0.000 2.208 130 A HA 0.239 4.549 4.320 -0.016 0.000 0.209 130 A C 1.516 179.076 177.584 -0.040 0.000 1.161 130 A CA 0.875 52.884 52.037 -0.046 0.000 0.782 130 A CB -0.549 18.409 19.000 -0.071 0.000 0.816 130 A HN 0.626 nan 8.150 nan 0.000 0.477 131 G N -0.638 108.139 108.800 -0.039 0.000 2.155 131 G HA2 -0.216 3.735 3.960 -0.016 0.000 0.257 131 G HA3 -0.216 3.735 3.960 -0.016 0.000 0.257 131 G C 0.095 174.971 174.900 -0.040 0.000 0.983 131 G CA 0.215 45.294 45.100 -0.034 0.000 0.676 131 G HN 0.380 nan 8.290 nan 0.000 0.528 132 I N 1.267 121.804 120.570 -0.055 0.000 2.618 132 I HA 0.176 4.336 4.170 -0.016 0.000 0.284 132 I C -1.621 174.458 176.117 -0.063 0.000 1.146 132 I CA -2.356 58.907 61.300 -0.061 0.000 1.425 132 I CB -0.023 37.930 38.000 -0.079 0.000 1.383 132 I HN -0.112 nan 8.210 nan 0.000 0.562 133 P HA 0.081 nan 4.420 nan 0.000 0.264 133 P C -0.557 176.697 177.300 -0.076 0.000 1.193 133 P CA 0.480 63.555 63.100 -0.042 0.000 0.763 133 P CB 0.416 32.104 31.700 -0.019 0.000 0.810 134 T N 3.807 118.312 114.554 -0.082 0.000 2.912 134 T HA 0.670 5.011 4.350 -0.016 0.000 0.299 134 T C -0.032 174.579 174.700 -0.148 0.000 1.052 134 T CA -0.522 61.505 62.100 -0.121 0.000 0.996 134 T CB 0.767 69.572 68.868 -0.105 0.000 1.070 134 T HN 0.292 nan 8.240 nan 0.000 0.465 135 I N -1.046 119.390 120.570 -0.224 0.000 2.740 135 I HA 0.810 4.970 4.170 -0.016 0.000 0.303 135 I C -0.584 175.428 176.117 -0.176 0.000 1.044 135 I CA -0.987 60.141 61.300 -0.287 0.000 1.064 135 I CB 1.777 39.436 38.000 -0.567 0.000 1.249 135 I HN 0.644 nan 8.210 nan 0.000 0.433 136 C N 4.797 124.031 119.300 -0.110 0.000 2.273 136 C HA 0.443 4.894 4.460 -0.016 0.000 0.328 136 C C -0.154 174.653 174.990 -0.305 0.000 1.275 136 C CA -0.169 58.827 59.018 -0.037 0.000 1.704 136 C CB -0.462 27.437 27.740 0.266 0.000 2.326 136 C HN 0.830 nan 8.230 nan 0.000 0.517 137 H N 3.965 122.858 119.070 -0.296 0.000 2.690 137 H HA 0.426 4.974 4.556 -0.012 0.000 0.289 137 H C 0.500 175.659 175.328 -0.281 0.000 1.089 137 H CA 0.384 56.237 56.048 -0.325 0.000 1.299 137 H CB 0.999 30.675 29.762 -0.143 0.000 1.405 137 H HN 0.931 nan 8.280 nan 0.000 0.463 138 G N 2.285 110.946 108.800 -0.233 0.000 2.606 138 G HA2 0.326 4.277 3.960 -0.016 0.000 0.252 138 G HA3 0.326 4.277 3.960 -0.016 0.000 0.252 138 G C 0.923 175.969 174.900 0.242 0.000 1.206 138 G CA 0.067 45.217 45.100 0.084 0.000 0.861 138 G HN 0.572 nan 8.290 nan 0.000 0.561 139 V N -1.517 118.513 119.914 0.194 0.000 3.612 139 V HA 0.664 4.775 4.120 -0.016 0.000 0.268 139 V C 0.983 177.182 176.094 0.174 0.000 1.365 139 V CA 1.118 63.507 62.300 0.149 0.000 1.044 139 V CB -0.176 31.680 31.823 0.054 0.000 0.820 139 V HN 1.222 nan 8.190 nan 0.000 0.444 140 G N 0.080 108.985 108.800 0.175 0.000 2.604 140 G HA2 0.419 4.370 3.960 -0.016 0.000 0.242 140 G HA3 0.419 4.370 3.960 -0.016 0.000 0.242 140 G C -1.270 173.554 174.900 -0.126 0.000 1.208 140 G CA -0.771 44.455 45.100 0.211 0.000 0.912 140 G HN 0.259 nan 8.290 nan 0.000 0.502 141 R N 0.351 120.419 120.500 -0.721 0.000 2.582 141 R HA 0.335 4.666 4.340 -0.016 0.000 0.271 141 R C -0.805 175.125 176.300 -0.616 0.000 1.078 141 R CA -0.314 55.078 56.100 -1.179 0.000 1.127 141 R CB 0.684 30.104 30.300 -1.467 0.000 1.038 141 R HN 0.481 nan 8.270 nan 0.000 0.500 142 D N 0.942 120.948 120.400 -0.657 0.000 2.390 142 D HA 0.004 4.635 4.640 -0.016 0.000 0.249 142 D C -0.803 175.274 176.300 -0.370 0.000 1.144 142 D CA 0.437 54.061 54.000 -0.627 0.000 0.880 142 D CB 0.827 41.100 40.800 -0.878 0.000 1.182 142 D HN 0.485 nan 8.370 nan 0.000 0.451 143 T N 1.999 116.392 114.554 -0.269 0.000 3.155 143 T HA 0.393 4.734 4.350 -0.016 0.000 0.384 143 T C -2.406 172.219 174.700 -0.125 0.000 1.351 143 T CA -1.730 60.268 62.100 -0.170 0.000 1.198 143 T CB 1.450 70.241 68.868 -0.128 0.000 1.106 143 T HN 0.187 nan 8.240 nan 0.000 0.564 144 P HA 0.233 nan 4.420 nan 0.000 0.225 144 P C -0.816 176.443 177.300 -0.069 0.000 1.768 144 P CA -0.066 62.985 63.100 -0.082 0.000 0.943 144 P CB -0.392 31.267 31.700 -0.069 0.000 1.936 145 D N -1.483 118.876 120.400 -0.068 0.000 2.449 145 D HA 0.163 4.794 4.640 -0.016 0.000 0.250 145 D C 0.720 176.985 176.300 -0.057 0.000 1.050 145 D CA -0.751 53.211 54.000 -0.063 0.000 1.024 145 D CB 0.383 41.145 40.800 -0.064 0.000 1.218 145 D HN -0.265 nan 8.370 nan 0.000 0.566 146 D N -0.665 119.700 120.400 -0.057 0.000 2.144 146 D HA -0.115 4.516 4.640 -0.016 0.000 0.199 146 D C 1.851 178.125 176.300 -0.043 0.000 0.984 146 D CA 0.671 54.642 54.000 -0.050 0.000 0.834 146 D CB -0.076 40.694 40.800 -0.050 0.000 0.955 146 D HN 0.278 nan 8.370 nan 0.000 0.465 147 L N 0.953 122.151 121.223 -0.042 0.000 1.989 147 L HA -0.159 4.172 4.340 -0.016 0.000 0.211 147 L C 2.176 179.030 176.870 -0.027 0.000 1.071 147 L CA 1.872 56.695 54.840 -0.028 0.000 0.749 147 L CB -1.037 41.006 42.059 -0.027 0.000 0.890 147 L HN -0.072 nan 8.230 nan 0.000 0.431 148 T N -0.435 114.098 114.554 -0.035 0.000 2.708 148 T HA -0.156 4.184 4.350 -0.016 0.000 0.266 148 T C 2.014 176.680 174.700 -0.056 0.000 1.037 148 T CA 1.585 63.665 62.100 -0.033 0.000 1.146 148 T CB -0.235 68.610 68.868 -0.039 0.000 0.865 148 T HN 0.331 nan 8.240 nan 0.000 0.435 149 R N 0.910 121.374 120.500 -0.061 0.000 2.096 149 R HA -0.040 4.291 4.340 -0.016 0.000 0.235 149 R C 2.919 179.172 176.300 -0.077 0.000 1.127 149 R CA 1.441 57.498 56.100 -0.072 0.000 0.968 149 R CB -0.353 29.910 30.300 -0.062 0.000 0.861 149 R HN 0.267 nan 8.270 nan 0.000 0.440 150 S N 0.931 116.595 115.700 -0.059 0.000 2.370 150 S HA -0.123 4.338 4.470 -0.016 0.000 0.226 150 S C 1.962 176.519 174.600 -0.071 0.000 1.033 150 S CA 1.165 59.332 58.200 -0.055 0.000 1.011 150 S CB -0.179 63.001 63.200 -0.032 0.000 0.852 150 S HN 0.230 nan 8.310 nan 0.000 0.457 151 I N 1.536 122.066 120.570 -0.068 0.000 2.142 151 I HA -0.192 3.968 4.170 -0.016 0.000 0.240 151 I C 2.556 178.538 176.117 -0.225 0.000 1.078 151 I CA 1.305 62.550 61.300 -0.091 0.000 1.343 151 I CB -0.494 37.490 38.000 -0.026 0.000 1.046 151 I HN 0.325 nan 8.210 nan 0.000 0.405 152 E N 0.496 120.541 120.200 -0.258 0.000 2.085 152 E HA -0.291 4.050 4.350 -0.016 0.000 0.194 152 E C 2.016 178.472 176.600 -0.240 0.000 0.994 152 E CA 1.357 57.550 56.400 -0.345 0.000 0.801 152 E CB -0.099 29.452 29.700 -0.248 0.000 0.743 152 E HN 0.336 nan 8.360 nan 0.000 0.453 153 E N 0.885 120.989 120.200 -0.160 0.000 2.204 153 E HA -0.166 4.175 4.350 -0.016 0.000 0.194 153 E C 1.768 178.298 176.600 -0.116 0.000 0.989 153 E CA 0.845 57.174 56.400 -0.119 0.000 0.824 153 E CB 0.122 29.768 29.700 -0.089 0.000 0.756 153 E HN 0.152 nan 8.360 nan 0.000 0.477 154 E N -0.362 119.761 120.200 -0.128 0.000 2.107 154 E HA -0.096 4.245 4.350 -0.016 0.000 0.191 154 E C 2.120 178.644 176.600 -0.128 0.000 0.982 154 E CA 0.846 57.177 56.400 -0.115 0.000 0.809 154 E CB -0.062 29.576 29.700 -0.103 0.000 0.756 154 E HN 0.197 nan 8.360 nan 0.000 0.459 155 V N 1.409 121.214 119.914 -0.182 0.000 2.358 155 V HA -0.237 3.874 4.120 -0.016 0.000 0.246 155 V C 2.376 178.409 176.094 -0.102 0.000 1.047 155 V CA 1.619 63.818 62.300 -0.168 0.000 1.035 155 V CB -0.426 31.203 31.823 -0.324 0.000 0.658 155 V HN 0.184 nan 8.190 nan 0.000 0.452 156 R N 0.175 120.610 120.500 -0.110 0.000 2.081 156 R HA -0.108 4.223 4.340 -0.016 0.000 0.235 156 R C 2.475 178.735 176.300 -0.066 0.000 1.131 156 R CA 1.488 57.545 56.100 -0.071 0.000 0.960 156 R CB -0.813 29.442 30.300 -0.075 0.000 0.856 156 R HN 0.588 nan 8.270 nan 0.000 0.436 157 G N 1.305 110.059 108.800 -0.077 0.000 2.402 157 G HA2 -0.241 3.709 3.960 -0.016 0.000 0.216 157 G HA3 -0.241 3.709 3.960 -0.016 0.000 0.216 157 G C 1.343 176.193 174.900 -0.082 0.000 1.162 157 G CA 0.314 45.370 45.100 -0.073 0.000 0.777 157 G HN 0.170 nan 8.290 nan 0.000 0.539 158 L N 1.412 122.578 121.223 -0.095 0.000 2.017 158 L HA 0.189 4.519 4.340 -0.016 0.000 0.208 158 L C 3.041 179.822 176.870 -0.148 0.000 1.073 158 L CA 2.186 56.953 54.840 -0.122 0.000 0.745 158 L CB -0.857 41.126 42.059 -0.125 0.000 0.894 158 L HN 0.224 nan 8.230 nan 0.000 0.432 159 A N -0.879 121.873 122.820 -0.113 0.000 1.865 159 A HA -0.293 4.018 4.320 -0.016 0.000 0.217 159 A C 2.312 179.842 177.584 -0.089 0.000 1.191 159 A CA 1.924 53.900 52.037 -0.103 0.000 0.623 159 A CB -0.966 18.023 19.000 -0.019 0.000 0.826 159 A HN 0.646 nan 8.150 nan 0.000 0.444 160 Q N -0.149 119.613 119.800 -0.064 0.000 2.112 160 Q HA -0.245 4.085 4.340 -0.016 0.000 0.206 160 Q C 2.247 178.210 176.000 -0.062 0.000 0.987 160 Q CA 2.171 57.943 55.803 -0.052 0.000 0.858 160 Q CB -0.282 28.430 28.738 -0.044 0.000 0.905 160 Q HN 0.690 nan 8.270 nan 0.000 0.420 161 R N -0.305 120.148 120.500 -0.079 0.000 2.148 161 R HA -0.004 4.326 4.340 -0.016 0.000 0.227 161 R C 2.141 178.387 176.300 -0.090 0.000 1.103 161 R CA 0.692 56.745 56.100 -0.078 0.000 0.983 161 R CB 0.010 30.259 30.300 -0.085 0.000 0.874 161 R HN 0.283 nan 8.270 nan 0.000 0.451 162 L N -1.119 120.025 121.223 -0.132 0.000 2.592 162 L HA 0.224 4.554 4.340 -0.016 0.000 0.227 162 L C 1.211 178.038 176.870 -0.071 0.000 1.127 162 L CA 0.502 55.252 54.840 -0.149 0.000 0.884 162 L CB 0.517 42.364 42.059 -0.353 0.000 1.065 162 L HN 0.528 nan 8.230 nan 0.000 0.457 163 G N 0.533 109.300 108.800 -0.055 0.000 2.176 163 G HA2 -0.285 3.665 3.960 -0.016 0.000 0.253 163 G HA3 -0.285 3.665 3.960 -0.016 0.000 0.253 163 G C 0.406 175.293 174.900 -0.021 0.000 0.979 163 G CA -0.108 44.976 45.100 -0.027 0.000 0.641 163 G HN 0.261 nan 8.290 nan 0.000 0.530 164 L N 2.474 123.677 121.223 -0.035 0.000 2.719 164 L HA 0.281 4.611 4.340 -0.016 0.000 0.236 164 L C 0.071 176.935 176.870 -0.010 0.000 1.285 164 L CA -0.847 53.981 54.840 -0.019 0.000 1.222 164 L CB -0.144 41.899 42.059 -0.027 0.000 1.493 164 L HN 0.137 nan 8.230 nan 0.000 0.415 165 D N 2.083 122.478 120.400 -0.007 0.000 2.571 165 D HA 0.083 4.714 4.640 -0.016 0.000 0.231 165 D C 0.041 176.352 176.300 0.019 0.000 1.133 165 D CA 0.819 54.818 54.000 -0.002 0.000 0.862 165 D CB 1.563 42.361 40.800 -0.004 0.000 1.179 165 D HN 0.257 nan 8.370 nan 0.000 0.474 166 L N 2.759 123.997 121.223 0.024 0.000 2.334 166 L HA 0.370 4.701 4.340 -0.016 0.000 0.272 166 L C -2.091 174.792 176.870 0.023 0.000 1.020 166 L CA -1.999 52.870 54.840 0.048 0.000 0.812 166 L CB 1.109 43.210 42.059 0.070 0.000 1.264 166 L HN 0.120 nan 8.230 nan 0.000 0.439 167 P HA 0.181 nan 4.420 nan 0.000 0.268 167 P C -2.451 174.845 177.300 -0.007 0.000 1.204 167 P CA -0.795 62.311 63.100 0.010 0.000 0.768 167 P CB -0.224 31.485 31.700 0.015 0.000 0.842 168 P HA 0.286 nan 4.420 nan 0.000 0.266 168 P C 0.523 177.805 177.300 -0.029 0.000 1.193 168 P CA 0.885 63.971 63.100 -0.023 0.000 0.770 168 P CB 0.222 31.910 31.700 -0.020 0.000 0.836 169 G N 1.308 110.084 108.800 -0.039 0.000 2.526 169 G HA2 -0.124 3.827 3.960 -0.016 0.000 0.250 169 G HA3 -0.124 3.827 3.960 -0.016 0.000 0.250 169 G C -0.920 173.944 174.900 -0.061 0.000 1.289 169 G CA -1.029 44.045 45.100 -0.044 0.000 0.947 169 G HN 0.611 nan 8.290 nan 0.000 0.517 170 R N -0.191 120.271 120.500 -0.063 0.000 2.698 170 R HA 0.232 4.562 4.340 -0.016 0.000 0.266 170 R C 1.709 177.946 176.300 -0.105 0.000 1.026 170 R CA -0.316 55.736 56.100 -0.082 0.000 1.102 170 R CB 0.346 30.607 30.300 -0.065 0.000 0.978 170 R HN 0.403 nan 8.270 nan 0.000 0.436 171 I N 1.321 121.796 120.570 -0.158 0.000 2.163 171 I HA -0.265 3.895 4.170 -0.016 0.000 0.243 171 I C 0.841 176.831 176.117 -0.212 0.000 1.085 171 I CA 1.441 62.586 61.300 -0.259 0.000 1.347 171 I CB -1.048 36.722 38.000 -0.383 0.000 1.044 171 I HN 0.779 nan 8.210 nan 0.000 0.408 172 D N 0.835 121.160 120.400 -0.124 0.000 2.689 172 D HA -0.163 4.467 4.640 -0.016 0.000 0.237 172 D C 0.975 177.254 176.300 -0.035 0.000 1.148 172 D CA 0.998 54.960 54.000 -0.064 0.000 0.656 172 D CB -1.276 39.493 40.800 -0.050 0.000 1.050 172 D HN 0.698 nan 8.370 nan 0.000 0.426 173 G N 0.228 109.001 108.800 -0.046 0.000 2.283 173 G HA2 -0.295 3.655 3.960 -0.016 0.000 0.280 173 G HA3 -0.295 3.655 3.960 -0.016 0.000 0.280 173 G C 0.752 175.755 174.900 0.172 0.000 1.029 173 G CA 0.208 45.367 45.100 0.100 0.000 0.840 173 G HN 0.975 nan 8.290 nan 0.000 0.505 174 F N -2.129 117.886 119.950 0.108 0.000 3.091 174 F HA -0.196 4.323 4.527 -0.014 0.000 0.288 174 F C 2.011 177.839 175.800 0.046 0.000 0.907 174 F CA 1.814 59.856 58.000 0.070 0.000 1.028 174 F CB -1.652 37.389 39.000 0.068 0.000 1.022 174 F HN 1.712 nan 8.300 nan 0.000 0.665 175 G N -0.745 108.135 108.800 0.134 0.000 2.180 175 G HA2 -0.384 3.567 3.960 -0.016 0.000 0.263 175 G HA3 -0.384 3.567 3.960 -0.016 0.000 0.263 175 G C 0.453 175.409 174.900 0.094 0.000 0.989 175 G CA 0.452 45.605 45.100 0.088 0.000 0.692 175 G HN 0.543 nan 8.290 nan 0.000 0.526 176 N N 0.872 119.650 118.700 0.131 0.000 2.434 176 N HA 0.465 5.196 4.740 -0.016 0.000 0.266 176 N C -2.449 173.108 175.510 0.077 0.000 1.223 176 N CA -1.560 51.544 53.050 0.090 0.000 0.972 176 N CB 0.519 39.057 38.487 0.086 0.000 1.207 176 N HN -0.005 nan 8.380 nan 0.000 0.525 177 P HA 0.049 nan 4.420 nan 0.000 0.266 177 P C -0.879 176.447 177.300 0.043 0.000 1.195 177 P CA 0.391 63.498 63.100 0.011 0.000 0.768 177 P CB 0.197 31.767 31.700 -0.217 0.000 0.838 178 F N 3.863 123.801 119.950 -0.020 0.000 2.467 178 F HA 0.419 4.936 4.527 -0.017 0.000 0.336 178 F C -0.418 175.409 175.800 0.045 0.000 1.123 178 F CA -0.988 57.020 58.000 0.013 0.000 0.964 178 F CB 0.901 39.938 39.000 0.061 0.000 1.136 178 F HN 0.078 nan 8.300 nan 0.000 0.447 179 I N 4.904 125.119 120.570 -0.593 0.000 2.291 179 I HA 0.160 4.320 4.170 -0.016 0.000 0.292 179 I C -0.486 175.343 176.117 -0.481 0.000 1.064 179 I CA -0.286 60.748 61.300 -0.444 0.000 1.269 179 I CB 0.417 38.044 38.000 -0.623 0.000 1.418 179 I HN 0.483 nan 8.210 nan 0.000 0.485 180 D N 6.682 127.091 120.400 0.016 0.000 2.329 180 D HA 0.327 4.957 4.640 -0.016 0.000 0.232 180 D C 0.975 177.401 176.300 0.209 0.000 1.088 180 D CA -0.420 53.755 54.000 0.292 0.000 0.835 180 D CB 1.199 42.356 40.800 0.594 0.000 1.078 180 D HN 0.549 nan 8.370 nan 0.000 0.495 181 I N 0.462 121.165 120.570 0.222 0.000 3.956 181 I HA 0.377 4.537 4.170 -0.016 0.000 0.333 181 I C 0.068 176.317 176.117 0.220 0.000 1.302 181 I CA -0.464 60.952 61.300 0.194 0.000 1.122 181 I CB 0.003 38.124 38.000 0.202 0.000 1.013 181 I HN 0.081 nan 8.210 nan 0.000 0.405 182 F N 4.257 124.288 119.950 0.135 0.000 2.412 182 F HA 0.484 4.994 4.527 -0.028 0.000 0.348 182 F C -2.061 173.800 175.800 0.102 0.000 1.102 182 F CA -2.474 55.590 58.000 0.106 0.000 1.196 182 F CB 0.490 39.547 39.000 0.095 0.000 1.144 182 F HN -0.148 nan 8.300 nan 0.000 0.541 183 P HA -0.010 nan 4.420 nan 0.000 0.260 183 P C -2.169 175.202 177.300 0.118 0.000 1.185 183 P CA -0.570 62.493 63.100 -0.062 0.000 0.763 183 P CB 0.311 31.892 31.700 -0.199 0.000 0.776 184 P HA -0.236 nan 4.420 nan 0.000 0.216 184 P C 1.489 178.875 177.300 0.142 0.000 1.150 184 P CA 1.822 65.016 63.100 0.156 0.000 0.843 184 P CB -0.212 31.553 31.700 0.109 0.000 0.787 185 S N -2.046 113.715 115.700 0.102 0.000 2.481 185 S HA -0.047 4.413 4.470 -0.016 0.000 0.231 185 S C 1.544 176.213 174.600 0.116 0.000 0.996 185 S CA 0.852 59.105 58.200 0.088 0.000 0.942 185 S CB -0.873 62.360 63.200 0.056 0.000 0.768 185 S HN -0.046 nan 8.310 nan 0.000 0.520 186 L N 0.445 121.769 121.223 0.169 0.000 2.590 186 L HA 0.475 4.806 4.340 -0.016 0.000 0.227 186 L C 0.823 177.915 176.870 0.370 0.000 1.099 186 L CA 0.337 55.331 54.840 0.257 0.000 0.872 186 L CB -0.744 41.466 42.059 0.251 0.000 1.088 186 L HN 0.318 nan 8.230 nan 0.000 0.479 187 Q N 0.978 120.998 119.800 0.368 0.000 2.421 187 Q HA 0.026 4.357 4.340 -0.016 0.000 0.255 187 Q C -0.075 175.998 176.000 0.121 0.000 1.013 187 Q CA 0.229 56.186 55.803 0.257 0.000 0.895 187 Q CB 0.464 29.388 28.738 0.310 0.000 1.271 187 Q HN 0.055 nan 8.270 nan 0.000 0.460 188 E N 5.078 125.293 120.200 0.024 0.000 2.606 188 E HA -0.060 4.281 4.350 -0.016 0.000 0.248 188 E C -1.796 174.863 176.600 0.099 0.000 1.005 188 E CA -0.999 55.420 56.400 0.032 0.000 0.946 188 E CB 0.341 30.025 29.700 -0.026 0.000 0.928 188 E HN 0.571 nan 8.360 nan 0.000 0.494 189 P HA -0.218 nan 4.420 nan 0.000 0.214 189 P C 1.066 178.401 177.300 0.058 0.000 1.169 189 P CA 1.415 64.553 63.100 0.064 0.000 0.908 189 P CB 0.284 32.009 31.700 0.042 0.000 0.791 190 E N -1.600 118.630 120.200 0.050 0.000 2.049 190 E HA -0.234 4.107 4.350 -0.016 0.000 0.198 190 E C 1.951 178.573 176.600 0.037 0.000 1.007 190 E CA 1.203 57.622 56.400 0.032 0.000 0.809 190 E CB -0.755 28.961 29.700 0.027 0.000 0.749 190 E HN 0.223 nan 8.360 nan 0.000 0.450 191 F N 1.609 121.518 119.950 -0.069 0.000 2.216 191 F HA -0.148 4.380 4.527 0.000 0.000 0.300 191 F C 2.464 178.223 175.800 -0.067 0.000 1.085 191 F CA 1.377 59.317 58.000 -0.100 0.000 1.326 191 F CB 0.037 38.953 39.000 -0.140 0.000 1.027 191 F HN -0.198 nan 8.300 nan 0.000 0.497 192 R N 0.300 120.866 120.500 0.109 0.000 2.152 192 R HA -0.094 4.236 4.340 -0.016 0.000 0.232 192 R C 1.896 178.158 176.300 -0.063 0.000 1.117 192 R CA 1.155 57.289 56.100 0.056 0.000 0.981 192 R CB -0.394 29.968 30.300 0.104 0.000 0.870 192 R HN 0.319 nan 8.270 nan 0.000 0.451 193 A N 0.647 123.416 122.820 -0.086 0.000 2.275 193 A HA 0.055 4.365 4.320 -0.016 0.000 0.212 193 A C 0.711 178.199 177.584 -0.160 0.000 1.201 193 A CA -0.350 51.630 52.037 -0.095 0.000 0.843 193 A CB -0.288 18.678 19.000 -0.056 0.000 0.873 193 A HN 0.263 nan 8.150 nan 0.000 0.492 194 R N 1.078 121.408 120.500 -0.284 0.000 2.583 194 R HA 0.082 4.412 4.340 -0.016 0.000 0.274 194 R C -2.570 173.580 176.300 -0.250 0.000 0.998 194 R CA -0.905 54.989 56.100 -0.343 0.000 1.081 194 R CB 0.104 29.995 30.300 -0.681 0.000 0.940 194 R HN 0.076 nan 8.270 nan 0.000 0.413 195 P HA 0.074 nan 4.420 nan 0.000 0.271 195 P C -0.795 176.428 177.300 -0.127 0.000 1.218 195 P CA 0.030 63.056 63.100 -0.124 0.000 0.780 195 P CB 0.557 32.211 31.700 -0.077 0.000 0.901 196 R N -1.335 119.093 120.500 -0.120 0.000 3.651 196 R HA -0.212 4.119 4.340 -0.016 0.000 0.292 196 R C 0.216 176.401 176.300 -0.191 0.000 1.161 196 R CA 0.531 56.574 56.100 -0.095 0.000 0.787 196 R CB -1.728 28.603 30.300 0.052 0.000 1.249 196 R HN 0.560 nan 8.270 nan 0.000 0.476 197 R N 1.383 121.690 120.500 -0.321 0.000 2.346 197 R HA 0.293 4.624 4.340 -0.016 0.000 0.311 197 R C -0.755 175.328 176.300 -0.362 0.000 0.983 197 R CA -0.522 55.458 56.100 -0.201 0.000 0.880 197 R CB 0.907 31.100 30.300 -0.179 0.000 1.100 197 R HN 0.168 nan 8.270 nan 0.000 0.453 198 H N 2.829 121.968 119.070 0.116 0.000 2.589 198 H HA 0.196 4.755 4.556 0.005 0.000 0.351 198 H C -0.611 174.770 175.328 0.089 0.000 1.074 198 H CA -0.781 55.329 56.048 0.104 0.000 1.203 198 H CB 1.892 31.736 29.762 0.137 0.000 1.558 198 H HN 0.589 nan 8.280 nan 0.000 0.522 199 E N 1.819 122.132 120.200 0.187 0.000 2.383 199 E HA 0.270 4.611 4.350 -0.016 0.000 0.264 199 E C -0.600 176.068 176.600 0.114 0.000 1.050 199 E CA -0.535 55.951 56.400 0.143 0.000 0.896 199 E CB 1.345 31.116 29.700 0.118 0.000 0.982 199 E HN 0.143 nan 8.360 nan 0.000 0.424 200 L N 1.888 123.165 121.223 0.091 0.000 2.562 200 L HA 0.246 4.576 4.340 -0.016 0.000 0.266 200 L C -0.845 176.074 176.870 0.083 0.000 0.949 200 L CA -0.450 54.432 54.840 0.070 0.000 0.879 200 L CB 1.763 43.835 42.059 0.021 0.000 1.278 200 L HN 0.449 nan 8.230 nan 0.000 0.404 201 R N 6.551 127.097 120.500 0.076 0.000 2.502 201 R HA 0.232 4.562 4.340 -0.016 0.000 0.292 201 R C -1.925 174.426 176.300 0.085 0.000 0.998 201 R CA -0.797 55.344 56.100 0.068 0.000 1.056 201 R CB 0.598 30.931 30.300 0.054 0.000 0.939 201 R HN 0.498 nan 8.270 nan 0.000 0.411 202 P HA -0.002 nan 4.420 nan 0.000 0.244 202 P C -0.578 176.773 177.300 0.086 0.000 1.723 202 P CA -0.005 63.153 63.100 0.096 0.000 1.110 202 P CB 0.080 31.817 31.700 0.061 0.000 1.972 203 V N 5.477 125.451 119.914 0.101 0.000 2.485 203 V HA 0.066 4.177 4.120 -0.016 0.000 0.287 203 V C -1.260 174.902 176.094 0.114 0.000 1.022 203 V CA -1.020 61.334 62.300 0.090 0.000 1.067 203 V CB -0.048 31.832 31.823 0.094 0.000 0.967 203 V HN 0.394 nan 8.190 nan 0.000 0.479 204 P HA 0.097 nan 4.420 nan 0.000 0.275 204 P C -0.522 176.864 177.300 0.144 0.000 1.227 204 P CA -0.498 62.674 63.100 0.120 0.000 0.781 204 P CB 0.528 32.265 31.700 0.062 0.000 0.906 205 F N 3.217 123.175 119.950 0.013 0.000 2.557 205 F HA 0.225 4.742 4.527 -0.016 0.000 0.384 205 F C 0.624 176.370 175.800 -0.090 0.000 1.057 205 F CA -1.043 56.896 58.000 -0.102 0.000 1.169 205 F CB -0.104 38.682 39.000 -0.356 0.000 1.070 205 F HN 0.437 nan 8.300 nan 0.000 0.554 206 A N 6.364 128.879 122.820 -0.509 0.000 3.048 206 A HA 0.090 4.401 4.320 -0.016 0.000 0.264 206 A C 0.616 177.674 177.584 -0.878 0.000 1.796 206 A CA -0.380 51.346 52.037 -0.519 0.000 1.445 206 A CB -1.139 17.702 19.000 -0.264 0.000 1.074 206 A HN 0.807 nan 8.150 nan 0.000 0.621 207 E N 1.318 120.858 120.200 -1.100 0.000 2.366 207 E HA 0.065 4.406 4.350 -0.016 0.000 0.266 207 E C -0.367 176.046 176.600 -0.312 0.000 1.015 207 E CA -0.064 55.866 56.400 -0.783 0.000 0.906 207 E CB 0.357 29.856 29.700 -0.334 0.000 0.979 207 E HN 0.644 nan 8.360 nan 0.000 0.443 208 Q N 2.685 122.357 119.800 -0.213 0.000 2.314 208 Q HA 0.486 4.816 4.340 -0.016 0.000 0.257 208 Q C -0.271 175.703 176.000 -0.045 0.000 0.975 208 Q CA -0.291 55.442 55.803 -0.116 0.000 0.933 208 Q CB 1.744 30.421 28.738 -0.102 0.000 1.195 208 Q HN 0.691 nan 8.270 nan 0.000 0.426 209 G N 1.923 110.704 108.800 -0.031 0.000 2.608 209 G HA2 0.214 4.164 3.960 -0.016 0.000 0.291 209 G HA3 0.214 4.164 3.960 -0.016 0.000 0.291 209 G C -1.660 173.228 174.900 -0.020 0.000 1.425 209 G CA -0.742 44.361 45.100 0.006 0.000 0.787 209 G HN 0.415 nan 8.290 nan 0.000 0.484 210 D N 0.741 121.134 120.400 -0.011 0.000 2.264 210 D HA 0.346 4.977 4.640 -0.016 0.000 0.250 210 D C 0.508 176.768 176.300 -0.067 0.000 1.113 210 D CA 0.032 54.008 54.000 -0.042 0.000 0.871 210 D CB 1.964 42.746 40.800 -0.030 0.000 1.167 210 D HN 0.178 nan 8.370 nan 0.000 0.447 211 L N 3.393 124.542 121.223 -0.124 0.000 2.426 211 L HA 0.184 4.515 4.340 -0.016 0.000 0.271 211 L C -1.806 174.931 176.870 -0.222 0.000 1.169 211 L CA -1.588 53.134 54.840 -0.197 0.000 0.836 211 L CB 0.061 41.953 42.059 -0.279 0.000 1.112 211 L HN 0.088 nan 8.230 nan 0.000 0.465 212 P HA -0.100 nan 4.420 nan 0.000 0.259 212 P C 0.185 177.257 177.300 -0.379 0.000 1.163 212 P CA 0.240 63.177 63.100 -0.272 0.000 0.760 212 P CB 0.721 32.175 31.700 -0.409 0.000 0.762 213 A N 5.526 128.257 122.820 -0.148 0.000 1.978 213 A HA -0.160 4.151 4.320 -0.016 0.000 0.220 213 A C 1.809 179.336 177.584 -0.095 0.000 1.170 213 A CA 1.294 53.270 52.037 -0.103 0.000 0.636 213 A CB -1.350 17.649 19.000 -0.002 0.000 0.810 213 A HN 0.855 nan 8.150 nan 0.000 0.448 214 W N 0.011 121.289 121.300 -0.036 0.000 2.538 214 W HA -0.056 4.594 4.660 -0.016 0.000 0.254 214 W C 0.987 177.480 176.519 -0.043 0.000 1.249 214 W CA 0.645 57.971 57.345 -0.032 0.000 1.253 214 W CB -0.923 28.524 29.460 -0.021 0.000 1.130 214 W HN 0.254 nan 8.180 nan 0.000 0.618 215 L N 1.653 122.446 121.223 -0.716 0.000 2.191 215 L HA -0.186 4.145 4.340 -0.016 0.000 0.212 215 L C 2.580 179.294 176.870 -0.261 0.000 1.103 215 L CA 1.536 55.980 54.840 -0.660 0.000 0.769 215 L CB -0.779 40.809 42.059 -0.785 0.000 0.908 215 L HN -0.088 nan 8.230 nan 0.000 0.438 216 S N -0.691 114.899 115.700 -0.182 0.000 2.481 216 S HA -0.068 4.393 4.470 -0.016 0.000 0.231 216 S C 1.585 176.170 174.600 -0.025 0.000 0.996 216 S CA 1.185 59.325 58.200 -0.100 0.000 0.942 216 S CB 0.012 63.161 63.200 -0.084 0.000 0.768 216 S HN 0.596 nan 8.310 nan 0.000 0.520 217 S N 0.771 116.488 115.700 0.028 0.000 2.846 217 S HA 0.254 4.714 4.470 -0.016 0.000 0.249 217 S C 0.237 174.896 174.600 0.098 0.000 1.028 217 S CA -0.914 57.321 58.200 0.058 0.000 1.043 217 S CB 0.140 63.377 63.200 0.062 0.000 0.990 217 S HN 0.525 nan 8.310 nan 0.000 0.564 218 R N 0.773 121.352 120.500 0.133 0.000 2.580 218 R HA 0.443 4.774 4.340 -0.016 0.000 0.267 218 R C -0.754 175.605 176.300 0.099 0.000 1.125 218 R CA -0.459 55.744 56.100 0.171 0.000 1.188 218 R CB -0.030 30.449 30.300 0.298 0.000 1.155 218 R HN 0.017 nan 8.270 nan 0.000 0.586 219 D N 0.735 121.190 120.400 0.092 0.000 2.435 219 D HA 0.009 4.639 4.640 -0.016 0.000 0.230 219 D C 0.563 176.900 176.300 0.062 0.000 1.215 219 D CA -0.143 53.894 54.000 0.062 0.000 0.947 219 D CB 0.740 41.570 40.800 0.050 0.000 1.048 219 D HN 0.634 nan 8.370 nan 0.000 0.512 220 T N 0.323 114.907 114.554 0.051 0.000 3.155 220 T HA -0.019 4.321 4.350 -0.016 0.000 0.264 220 T C 1.594 176.318 174.700 0.039 0.000 1.160 220 T CA 0.506 62.633 62.100 0.045 0.000 1.075 220 T CB 0.031 68.919 68.868 0.033 0.000 0.921 220 T HN 0.271 nan 8.240 nan 0.000 0.533 221 A N 1.700 124.542 122.820 0.036 0.000 2.208 221 A HA 0.275 4.586 4.320 -0.016 0.000 0.209 221 A C 1.234 178.838 177.584 0.033 0.000 1.161 221 A CA -0.288 51.767 52.037 0.030 0.000 0.782 221 A CB -0.277 18.738 19.000 0.025 0.000 0.816 221 A HN 0.777 nan 8.150 nan 0.000 0.477 222 R N -0.907 119.618 120.500 0.041 0.000 2.854 222 R HA 0.632 4.963 4.340 -0.016 0.000 0.271 222 R C -3.346 172.986 176.300 0.054 0.000 0.996 222 R CA -2.111 54.015 56.100 0.043 0.000 0.961 222 R CB 0.332 30.657 30.300 0.042 0.000 1.182 222 R HN -0.169 nan 8.270 nan 0.000 0.479 223 P HA -0.039 nan 4.420 nan 0.000 0.267 223 P C -1.144 176.204 177.300 0.080 0.000 1.200 223 P CA -0.318 62.817 63.100 0.058 0.000 0.772 223 P CB 0.411 32.141 31.700 0.050 0.000 0.855 224 L N 4.600 125.876 121.223 0.088 0.000 2.280 224 L HA 0.397 4.728 4.340 -0.016 0.000 0.287 224 L C -1.053 175.891 176.870 0.122 0.000 1.023 224 L CA -0.419 54.494 54.840 0.121 0.000 0.819 224 L CB 1.195 43.320 42.059 0.109 0.000 1.212 224 L HN 0.035 nan 8.230 nan 0.000 0.420 225 V N 5.564 125.564 119.914 0.143 0.000 2.483 225 V HA 0.324 4.435 4.120 -0.016 0.000 0.295 225 V C -0.997 175.226 176.094 0.214 0.000 1.035 225 V CA -0.634 61.750 62.300 0.139 0.000 0.896 225 V CB 1.337 33.218 31.823 0.095 0.000 0.986 225 V HN 0.647 nan 8.190 nan 0.000 0.447 226 Y N 5.994 126.317 120.300 0.039 0.000 2.334 226 Y HA 0.700 5.240 4.550 -0.017 0.000 0.336 226 Y C -0.885 175.031 175.900 0.027 0.000 0.960 226 Y CA -1.592 56.527 58.100 0.031 0.000 1.164 226 Y CB 1.511 39.969 38.460 -0.003 0.000 1.155 226 Y HN 0.568 nan 8.280 nan 0.000 0.478 227 L N 6.446 127.521 121.223 -0.246 0.000 2.313 227 L HA 0.778 5.109 4.340 -0.016 0.000 0.283 227 L C -0.811 175.793 176.870 -0.444 0.000 1.013 227 L CA 0.050 54.720 54.840 -0.283 0.000 0.816 227 L CB 1.756 43.778 42.059 -0.061 0.000 1.236 227 L HN 0.736 nan 8.230 nan 0.000 0.419 228 T N 4.838 119.157 114.554 -0.391 0.000 2.932 228 T HA 0.481 4.822 4.350 -0.016 0.000 0.318 228 T C -0.449 174.226 174.700 -0.041 0.000 1.265 228 T CA -0.485 61.456 62.100 -0.266 0.000 1.036 228 T CB 0.820 69.441 68.868 -0.413 0.000 1.209 228 T HN 0.579 nan 8.240 nan 0.000 0.484 229 L N 3.547 124.729 121.223 -0.069 0.000 3.141 229 L HA 0.505 4.835 4.340 -0.016 0.000 0.267 229 L C 1.319 177.821 176.870 -0.613 0.000 1.281 229 L CA -0.105 54.648 54.840 -0.145 0.000 1.037 229 L CB -0.316 41.699 42.059 -0.074 0.000 1.407 229 L HN 1.127 nan 8.230 nan 0.000 0.566 230 G N 1.272 109.775 108.800 -0.495 0.000 2.642 230 G HA2 -0.327 3.623 3.960 -0.016 0.000 0.231 230 G HA3 -0.327 3.623 3.960 -0.016 0.000 0.231 230 G C 0.466 175.274 174.900 -0.153 0.000 1.338 230 G CA 0.169 45.016 45.100 -0.421 0.000 0.883 230 G HN 0.323 nan 8.290 nan 0.000 0.570 231 T N -3.384 111.153 114.554 -0.027 0.000 3.043 231 T HA 0.596 4.937 4.350 -0.016 0.000 0.272 231 T C 0.544 175.316 174.700 0.121 0.000 0.990 231 T CA 1.237 63.387 62.100 0.083 0.000 0.897 231 T CB 0.031 68.993 68.868 0.158 0.000 1.111 231 T HN 2.297 nan 8.240 nan 0.000 0.529 232 S N 0.021 115.777 115.700 0.094 0.000 2.461 232 S HA 0.523 4.983 4.470 -0.016 0.000 0.245 232 S C 0.132 174.826 174.600 0.157 0.000 1.039 232 S CA -0.180 58.113 58.200 0.154 0.000 1.077 232 S CB 0.745 64.092 63.200 0.245 0.000 1.171 232 S HN 0.376 nan 8.310 nan 0.000 0.433 233 S N 0.994 116.768 115.700 0.123 0.000 3.382 233 S HA -0.198 4.263 4.470 -0.016 0.000 0.293 233 S C 1.569 176.302 174.600 0.222 0.000 1.262 233 S CA 1.265 59.571 58.200 0.175 0.000 0.969 233 S CB -1.632 61.731 63.200 0.271 0.000 1.136 233 S HN 1.454 nan 8.310 nan 0.000 0.635 234 G N 0.625 109.477 108.800 0.086 0.000 2.433 234 G HA2 0.345 4.296 3.960 -0.016 0.000 0.216 234 G HA3 0.345 4.296 3.960 -0.016 0.000 0.216 234 G C 0.590 175.569 174.900 0.132 0.000 1.186 234 G CA 1.092 46.260 45.100 0.113 0.000 0.779 234 G HN 1.093 nan 8.290 nan 0.000 0.543 235 G N -1.971 106.810 108.800 -0.030 0.000 2.870 235 G HA2 0.554 4.504 3.960 -0.016 0.000 0.299 235 G HA3 0.554 4.504 3.960 -0.016 0.000 0.299 235 G C -0.664 174.129 174.900 -0.178 0.000 1.324 235 G CA 0.406 45.432 45.100 -0.123 0.000 0.808 235 G HN 0.661 nan 8.290 nan 0.000 0.535 236 T N -3.248 111.186 114.554 -0.200 0.000 2.905 236 T HA 0.509 4.849 4.350 -0.016 0.000 0.283 236 T C 1.131 175.761 174.700 -0.115 0.000 1.031 236 T CA 0.177 62.175 62.100 -0.171 0.000 1.002 236 T CB 1.434 70.175 68.868 -0.211 0.000 1.200 236 T HN 1.065 nan 8.240 nan 0.000 0.560 237 V N 0.567 120.423 119.914 -0.096 0.000 2.548 237 V HA -0.025 4.086 4.120 -0.016 0.000 0.249 237 V C 2.313 178.361 176.094 -0.077 0.000 1.055 237 V CA 2.050 64.307 62.300 -0.072 0.000 1.065 237 V CB -1.015 30.772 31.823 -0.059 0.000 0.681 237 V HN 0.926 nan 8.190 nan 0.000 0.462 238 E N 0.015 120.159 120.200 -0.094 0.000 2.077 238 E HA -0.152 4.188 4.350 -0.016 0.000 0.193 238 E C 2.141 178.672 176.600 -0.115 0.000 0.989 238 E CA 1.651 57.993 56.400 -0.097 0.000 0.800 238 E CB -0.460 29.178 29.700 -0.103 0.000 0.746 238 E HN 0.513 nan 8.360 nan 0.000 0.452 239 V N 0.716 120.546 119.914 -0.141 0.000 2.343 239 V HA -0.216 3.894 4.120 -0.016 0.000 0.247 239 V C 2.180 178.204 176.094 -0.117 0.000 1.051 239 V CA 1.418 63.612 62.300 -0.176 0.000 1.036 239 V CB -0.406 31.302 31.823 -0.193 0.000 0.654 239 V HN 0.237 nan 8.190 nan 0.000 0.451 240 L N 0.417 121.601 121.223 -0.064 0.000 2.042 240 L HA -0.166 4.164 4.340 -0.016 0.000 0.210 240 L C 2.530 179.383 176.870 -0.029 0.000 1.076 240 L CA 2.146 56.973 54.840 -0.022 0.000 0.749 240 L CB -0.699 41.346 42.059 -0.023 0.000 0.893 240 L HN 0.220 nan 8.230 nan 0.000 0.432 241 R N -0.087 120.385 120.500 -0.048 0.000 2.081 241 R HA -0.072 4.258 4.340 -0.016 0.000 0.235 241 R C 2.150 178.421 176.300 -0.049 0.000 1.131 241 R CA 1.670 57.743 56.100 -0.044 0.000 0.960 241 R CB -0.813 29.457 30.300 -0.049 0.000 0.856 241 R HN 0.494 nan 8.270 nan 0.000 0.436 242 A N 0.022 122.797 122.820 -0.076 0.000 1.898 242 A HA 0.006 4.317 4.320 -0.016 0.000 0.216 242 A C 2.345 179.889 177.584 -0.068 0.000 1.181 242 A CA 1.632 53.616 52.037 -0.089 0.000 0.620 242 A CB -0.980 17.934 19.000 -0.143 0.000 0.819 242 A HN 0.474 nan 8.150 nan 0.000 0.442 243 A N -0.047 122.742 122.820 -0.051 0.000 1.898 243 A HA -0.043 4.268 4.320 -0.016 0.000 0.216 243 A C 2.123 179.732 177.584 0.041 0.000 1.181 243 A CA 1.407 53.470 52.037 0.042 0.000 0.620 243 A CB -0.585 18.521 19.000 0.177 0.000 0.819 243 A HN 0.480 nan 8.150 nan 0.000 0.442 244 I N 0.063 120.644 120.570 0.017 0.000 2.127 244 I HA -0.274 3.887 4.170 -0.016 0.000 0.241 244 I C 1.863 177.979 176.117 -0.001 0.000 1.075 244 I CA 1.716 63.021 61.300 0.008 0.000 1.334 244 I CB -0.489 37.508 38.000 -0.006 0.000 1.040 244 I HN 0.279 nan 8.210 nan 0.000 0.405 245 D N 0.744 121.136 120.400 -0.012 0.000 2.178 245 D HA -0.126 4.504 4.640 -0.016 0.000 0.201 245 D C 2.124 178.418 176.300 -0.009 0.000 0.980 245 D CA 1.526 55.517 54.000 -0.016 0.000 0.842 245 D CB -0.438 40.348 40.800 -0.024 0.000 0.948 245 D HN 0.439 nan 8.370 nan 0.000 0.472 246 G N 0.345 109.143 108.800 -0.003 0.000 2.403 246 G HA2 -0.109 3.842 3.960 -0.016 0.000 0.216 246 G HA3 -0.109 3.842 3.960 -0.016 0.000 0.216 246 G C 1.717 176.627 174.900 0.017 0.000 1.154 246 G CA 0.079 45.182 45.100 0.006 0.000 0.784 246 G HN 0.247 nan 8.290 nan 0.000 0.538 247 L N 0.409 121.647 121.223 0.025 0.000 2.307 247 L HA 0.199 4.530 4.340 -0.016 0.000 0.211 247 L C 3.184 180.063 176.870 0.015 0.000 1.099 247 L CA 0.590 55.447 54.840 0.028 0.000 0.816 247 L CB -0.158 41.925 42.059 0.041 0.000 0.952 247 L HN 0.250 nan 8.230 nan 0.000 0.455 248 A N 0.546 123.369 122.820 0.004 0.000 2.067 248 A HA -0.068 4.243 4.320 -0.016 0.000 0.219 248 A C 2.312 179.892 177.584 -0.007 0.000 1.158 248 A CA 1.513 53.545 52.037 -0.008 0.000 0.661 248 A CB -0.886 18.103 19.000 -0.018 0.000 0.801 248 A HN 0.419 nan 8.150 nan 0.000 0.452 249 G N -0.542 108.256 108.800 -0.003 0.000 2.511 249 G HA2 0.197 4.148 3.960 -0.016 0.000 0.217 249 G HA3 0.197 4.148 3.960 -0.016 0.000 0.217 249 G C 0.716 175.617 174.900 0.002 0.000 1.133 249 G CA -0.033 45.066 45.100 -0.002 0.000 0.792 249 G HN 0.430 nan 8.290 nan 0.000 0.539 250 L N 0.608 121.835 121.223 0.007 0.000 2.473 250 L HA 0.148 4.479 4.340 -0.016 0.000 0.268 250 L C 0.327 177.204 176.870 0.012 0.000 1.215 250 L CA -0.581 54.267 54.840 0.012 0.000 0.823 250 L CB 0.538 42.608 42.059 0.019 0.000 1.099 250 L HN -0.047 nan 8.230 nan 0.000 0.483 251 D N 1.843 122.252 120.400 0.015 0.000 2.551 251 D HA 0.445 5.076 4.640 -0.016 0.000 0.223 251 D C -0.501 175.814 176.300 0.025 0.000 1.144 251 D CA 0.256 54.266 54.000 0.016 0.000 1.025 251 D CB 0.011 40.820 40.800 0.016 0.000 1.085 251 D HN 0.589 nan 8.370 nan 0.000 0.506 252 A N 2.513 125.349 122.820 0.027 0.000 2.610 252 A HA 0.426 4.737 4.320 -0.016 0.000 0.291 252 A C -1.038 176.573 177.584 0.046 0.000 1.086 252 A CA -0.908 51.155 52.037 0.044 0.000 0.677 252 A CB 1.225 20.255 19.000 0.049 0.000 1.278 252 A HN 0.235 nan 8.150 nan 0.000 0.414 253 D N 0.525 120.975 120.400 0.082 0.000 2.210 253 D HA 0.501 5.131 4.640 -0.016 0.000 0.249 253 D C -0.791 175.587 176.300 0.130 0.000 1.062 253 D CA 0.098 54.156 54.000 0.097 0.000 0.891 253 D CB 1.988 42.922 40.800 0.224 0.000 1.186 253 D HN 0.228 nan 8.370 nan 0.000 0.432 254 V N 2.754 122.715 119.914 0.079 0.000 2.483 254 V HA 0.305 4.416 4.120 -0.016 0.000 0.297 254 V C -0.103 176.094 176.094 0.171 0.000 1.027 254 V CA -0.827 61.543 62.300 0.116 0.000 0.855 254 V CB 2.100 33.953 31.823 0.049 0.000 0.995 254 V HN 0.366 nan 8.190 nan 0.000 0.424 255 L N 5.831 127.239 121.223 0.309 0.000 2.287 255 L HA 0.722 5.052 4.340 -0.016 0.000 0.287 255 L C -0.934 176.117 176.870 0.303 0.000 1.022 255 L CA -0.416 54.663 54.840 0.398 0.000 0.814 255 L CB 1.556 43.901 42.059 0.476 0.000 1.217 255 L HN 0.489 nan 8.230 nan 0.000 0.420 256 V N 4.460 124.498 119.914 0.207 0.000 2.417 256 V HA 0.657 4.767 4.120 -0.016 0.000 0.291 256 V C 0.116 176.289 176.094 0.131 0.000 1.024 256 V CA -0.527 61.842 62.300 0.115 0.000 0.861 256 V CB 1.483 33.338 31.823 0.054 0.000 0.985 256 V HN 0.841 nan 8.190 nan 0.000 0.436 257 A N 2.966 125.839 122.820 0.088 0.000 2.293 257 A HA 0.583 4.894 4.320 -0.016 0.000 0.312 257 A C 0.861 178.451 177.584 0.010 0.000 1.309 257 A CA 0.062 52.144 52.037 0.075 0.000 0.839 257 A CB 1.112 20.176 19.000 0.107 0.000 1.155 257 A HN 1.006 nan 8.150 nan 0.000 0.501 258 S N 2.003 117.726 115.700 0.038 0.000 2.496 258 S HA 0.434 4.895 4.470 -0.016 0.000 0.224 258 S C 1.150 175.770 174.600 0.032 0.000 0.996 258 S CA 0.639 58.851 58.200 0.020 0.000 0.927 258 S CB -0.563 62.653 63.200 0.026 0.000 0.774 258 S HN 2.556 nan 8.310 nan 0.000 0.524 259 G N 1.867 110.721 108.800 0.090 0.000 2.796 259 G HA2 -0.096 3.855 3.960 -0.016 0.000 0.571 259 G HA3 -0.096 3.855 3.960 -0.016 0.000 0.571 259 G C -2.457 172.533 174.900 0.150 0.000 1.370 259 G CA -0.401 44.792 45.100 0.155 0.000 0.856 259 G HN 0.268 nan 8.290 nan 0.000 0.538 260 P HA 0.222 nan 4.420 nan 0.000 0.245 260 P C 1.377 178.706 177.300 0.048 0.000 1.206 260 P CA 1.378 64.524 63.100 0.077 0.000 0.781 260 P CB 0.520 32.250 31.700 0.051 0.000 0.994 261 S N -0.951 114.780 115.700 0.050 0.000 2.527 261 S HA 0.134 4.595 4.470 -0.016 0.000 0.227 261 S C 0.500 175.099 174.600 -0.001 0.000 1.059 261 S CA -0.234 57.982 58.200 0.027 0.000 0.919 261 S CB -0.282 62.949 63.200 0.052 0.000 0.805 261 S HN 0.036 nan 8.310 nan 0.000 0.500 262 L N 3.920 125.143 121.223 -0.001 0.000 2.369 262 L HA 0.319 4.650 4.340 -0.016 0.000 0.279 262 L C -0.547 176.312 176.870 -0.019 0.000 1.108 262 L CA -0.255 54.574 54.840 -0.020 0.000 0.852 262 L CB 0.051 42.095 42.059 -0.026 0.000 1.169 262 L HN -0.053 nan 8.230 nan 0.000 0.452 263 D N 3.645 124.027 120.400 -0.031 0.000 2.344 263 D HA 0.112 4.743 4.640 -0.016 0.000 0.253 263 D C 0.638 176.921 176.300 -0.027 0.000 1.255 263 D CA -0.034 53.948 54.000 -0.030 0.000 0.894 263 D CB 0.762 41.538 40.800 -0.041 0.000 1.067 263 D HN 0.360 nan 8.370 nan 0.000 0.492 264 V N 1.734 121.637 119.914 -0.018 0.000 3.121 264 V HA 0.129 4.240 4.120 -0.016 0.000 0.344 264 V C 1.628 177.713 176.094 -0.016 0.000 1.390 264 V CA 0.378 62.668 62.300 -0.017 0.000 1.177 264 V CB -0.499 31.319 31.823 -0.009 0.000 1.163 264 V HN 0.459 nan 8.190 nan 0.000 0.484 265 S N 1.202 116.892 115.700 -0.017 0.000 2.383 265 S HA -0.060 4.401 4.470 -0.016 0.000 0.229 265 S C 1.667 176.257 174.600 -0.017 0.000 1.030 265 S CA 1.704 59.894 58.200 -0.016 0.000 1.002 265 S CB -0.748 62.441 63.200 -0.018 0.000 0.829 265 S HN 0.965 nan 8.310 nan 0.000 0.467 266 G N 0.352 109.139 108.800 -0.021 0.000 3.523 266 G HA2 0.425 4.375 3.960 -0.016 0.000 0.270 266 G HA3 0.425 4.375 3.960 -0.016 0.000 0.270 266 G C 0.790 175.676 174.900 -0.024 0.000 1.134 266 G CA -0.067 45.020 45.100 -0.022 0.000 0.825 266 G HN 0.380 nan 8.290 nan 0.000 0.534 267 L N 0.856 122.066 121.223 -0.023 0.000 2.083 267 L HA 0.298 4.629 4.340 -0.016 0.000 0.209 267 L C 1.547 178.403 176.870 -0.024 0.000 1.083 267 L CA 2.064 56.889 54.840 -0.024 0.000 0.752 267 L CB -0.461 41.586 42.059 -0.020 0.000 0.899 267 L HN 0.513 nan 8.230 nan 0.000 0.433 268 G N -0.731 108.056 108.800 -0.021 0.000 2.545 268 G HA2 -0.222 3.729 3.960 -0.016 0.000 0.216 268 G HA3 -0.222 3.729 3.960 -0.016 0.000 0.216 268 G C -0.463 174.424 174.900 -0.022 0.000 1.314 268 G CA -0.056 45.031 45.100 -0.021 0.000 0.906 268 G HN 0.752 nan 8.290 nan 0.000 0.563 269 E N -1.100 119.086 120.200 -0.024 0.000 2.283 269 E HA 0.677 5.018 4.350 -0.016 0.000 0.267 269 E C 0.262 176.844 176.600 -0.030 0.000 1.045 269 E CA -0.465 55.919 56.400 -0.027 0.000 0.884 269 E CB 1.990 31.674 29.700 -0.026 0.000 1.106 269 E HN 1.801 nan 8.360 nan 0.000 0.408 270 V N -1.589 118.304 119.914 -0.037 0.000 3.007 270 V HA 0.559 4.670 4.120 -0.016 0.000 0.311 270 V C -2.667 173.397 176.094 -0.050 0.000 1.120 270 V CA -2.300 59.975 62.300 -0.041 0.000 0.980 270 V CB 0.849 32.645 31.823 -0.044 0.000 1.033 270 V HN 0.687 nan 8.190 nan 0.000 0.429 271 P HA 0.353 nan 4.420 nan 0.000 0.270 271 P C 0.897 178.148 177.300 -0.081 0.000 1.227 271 P CA 0.429 63.496 63.100 -0.056 0.000 0.788 271 P CB 0.695 32.367 31.700 -0.047 0.000 0.926 272 A N 2.255 125.024 122.820 -0.085 0.000 1.972 272 A HA -0.183 4.128 4.320 -0.016 0.000 0.219 272 A C 1.673 179.154 177.584 -0.171 0.000 1.169 272 A CA 1.636 53.602 52.037 -0.117 0.000 0.635 272 A CB -1.157 17.787 19.000 -0.093 0.000 0.810 272 A HN 0.750 nan 8.150 nan 0.000 0.446 273 N N 0.099 118.717 118.700 -0.137 0.000 2.550 273 N HA -0.028 4.703 4.740 -0.016 0.000 0.186 273 N C -0.090 175.302 175.510 -0.197 0.000 1.110 273 N CA 0.761 53.715 53.050 -0.160 0.000 0.912 273 N CB -0.360 38.078 38.487 -0.081 0.000 0.968 273 N HN 0.211 nan 8.380 nan 0.000 0.448 274 V N 1.620 121.429 119.914 -0.175 0.000 2.350 274 V HA 0.331 4.442 4.120 -0.016 0.000 0.276 274 V C -0.048 175.920 176.094 -0.209 0.000 1.028 274 V CA -0.745 61.466 62.300 -0.149 0.000 0.860 274 V CB 0.844 32.621 31.823 -0.077 0.000 0.990 274 V HN 0.062 nan 8.190 nan 0.000 0.453 275 R N 4.414 124.767 120.500 -0.245 0.000 2.338 275 R HA 0.641 4.971 4.340 -0.016 0.000 0.317 275 R C -1.135 175.156 176.300 -0.016 0.000 0.968 275 R CA -0.542 55.418 56.100 -0.235 0.000 0.849 275 R CB 1.233 31.214 30.300 -0.532 0.000 1.128 275 R HN 0.470 nan 8.270 nan 0.000 0.448 276 L N 3.357 124.578 121.223 -0.003 0.000 2.264 276 L HA 0.369 4.700 4.340 -0.016 0.000 0.289 276 L C -0.047 176.875 176.870 0.087 0.000 1.044 276 L CA 0.078 54.945 54.840 0.044 0.000 0.807 276 L CB 0.906 42.976 42.059 0.018 0.000 1.192 276 L HN 0.491 nan 8.230 nan 0.000 0.425 277 E N 1.094 121.366 120.200 0.120 0.000 2.244 277 E HA 0.314 4.655 4.350 -0.016 0.000 0.266 277 E C 0.293 176.969 176.600 0.126 0.000 0.914 277 E CA -0.326 56.156 56.400 0.136 0.000 0.794 277 E CB 2.063 31.861 29.700 0.164 0.000 1.210 277 E HN 0.408 nan 8.360 nan 0.000 0.414 278 S N 2.052 117.840 115.700 0.146 0.000 2.388 278 S HA 0.014 4.475 4.470 -0.016 0.000 0.223 278 S C 0.005 174.778 174.600 0.289 0.000 1.034 278 S CA 0.338 58.643 58.200 0.175 0.000 0.963 278 S CB 0.380 63.674 63.200 0.156 0.000 0.827 278 S HN 0.581 nan 8.310 nan 0.000 0.481 279 W N 1.847 123.177 121.300 0.050 0.000 3.425 279 W HA 0.478 5.129 4.660 -0.016 0.000 0.318 279 W C -1.952 174.602 176.519 0.057 0.000 1.201 279 W CA -0.798 56.578 57.345 0.052 0.000 1.212 279 W CB 1.734 31.215 29.460 0.036 0.000 1.355 279 W HN 0.057 nan 8.180 nan 0.000 0.515 280 V N 2.255 121.937 119.914 -0.386 0.000 2.962 280 V HA 0.659 4.770 4.120 -0.016 0.000 0.313 280 V C -2.684 173.214 176.094 -0.326 0.000 1.099 280 V CA -2.670 59.492 62.300 -0.231 0.000 0.971 280 V CB 1.850 33.553 31.823 -0.199 0.000 1.028 280 V HN 0.378 nan 8.190 nan 0.000 0.430 281 P HA 0.206 nan 4.420 nan 0.000 0.256 281 P C 0.627 177.823 177.300 -0.173 0.000 1.688 281 P CA 0.220 63.263 63.100 -0.095 0.000 1.162 281 P CB 0.535 32.192 31.700 -0.072 0.000 1.870 282 Q N 3.233 122.908 119.800 -0.209 0.000 2.077 282 Q HA -0.269 4.062 4.340 -0.016 0.000 0.206 282 Q C 1.881 177.783 176.000 -0.163 0.000 0.989 282 Q CA 2.188 57.852 55.803 -0.231 0.000 0.853 282 Q CB -0.445 28.209 28.738 -0.140 0.000 0.907 282 Q HN 0.362 nan 8.270 nan 0.000 0.418 283 A N 0.381 123.146 122.820 -0.091 0.000 1.940 283 A HA -0.157 4.154 4.320 -0.016 0.000 0.219 283 A C 2.193 179.718 177.584 -0.098 0.000 1.176 283 A CA 1.844 53.835 52.037 -0.077 0.000 0.631 283 A CB -0.879 18.077 19.000 -0.073 0.000 0.814 283 A HN 0.590 nan 8.150 nan 0.000 0.446 284 A N -1.161 121.593 122.820 -0.110 0.000 2.021 284 A HA 0.231 4.542 4.320 -0.016 0.000 0.216 284 A C 2.010 179.574 177.584 -0.033 0.000 1.163 284 A CA 1.264 53.255 52.037 -0.077 0.000 0.676 284 A CB -0.369 18.582 19.000 -0.082 0.000 0.818 284 A HN 0.639 nan 8.150 nan 0.000 0.453 285 L N -0.097 121.052 121.223 -0.123 0.000 2.072 285 L HA 0.019 4.350 4.340 -0.016 0.000 0.205 285 L C 2.108 178.918 176.870 -0.101 0.000 1.079 285 L CA 1.461 56.212 54.840 -0.149 0.000 0.752 285 L CB -0.522 41.299 42.059 -0.397 0.000 0.906 285 L HN 0.360 nan 8.230 nan 0.000 0.436 286 L N 0.047 121.175 121.223 -0.158 0.000 2.043 286 L HA -0.167 4.164 4.340 -0.016 0.000 0.212 286 L C -0.149 176.658 176.870 -0.104 0.000 1.075 286 L CA 1.347 56.113 54.840 -0.125 0.000 0.752 286 L CB -2.214 39.785 42.059 -0.100 0.000 0.891 286 L HN 0.276 nan 8.230 nan 0.000 0.432 287 P HA -0.150 nan 4.420 nan 0.000 0.223 287 P C 1.081 178.182 177.300 -0.332 0.000 1.144 287 P CA 1.345 64.293 63.100 -0.253 0.000 0.783 287 P CB -0.112 31.381 31.700 -0.345 0.000 0.771 288 H N -2.399 116.612 119.070 -0.098 0.000 2.551 288 H HA 0.206 4.753 4.556 -0.015 0.000 0.271 288 H C 0.436 175.724 175.328 -0.066 0.000 0.984 288 H CA 0.070 56.064 56.048 -0.090 0.000 1.164 288 H CB 0.478 30.162 29.762 -0.129 0.000 1.437 288 H HN 0.003 nan 8.280 nan 0.000 0.550 289 V N 1.849 121.778 119.914 0.025 0.000 2.617 289 V HA 0.037 4.148 4.120 -0.016 0.000 0.298 289 V C 0.855 176.968 176.094 0.033 0.000 1.048 289 V CA -0.340 61.982 62.300 0.036 0.000 0.964 289 V CB 2.403 34.246 31.823 0.033 0.000 1.004 289 V HN 0.244 nan 8.190 nan 0.000 0.466 290 D N 1.879 122.309 120.400 0.050 0.000 2.388 290 D HA 0.189 4.820 4.640 -0.016 0.000 0.208 290 D C -0.112 176.213 176.300 0.043 0.000 1.035 290 D CA 0.634 54.660 54.000 0.042 0.000 0.875 290 D CB 1.392 42.218 40.800 0.045 0.000 0.984 290 D HN 0.260 nan 8.370 nan 0.000 0.508 291 L N 0.960 122.216 121.223 0.055 0.000 2.543 291 L HA 0.276 4.607 4.340 -0.016 0.000 0.265 291 L C -1.652 175.257 176.870 0.064 0.000 0.945 291 L CA -0.628 54.239 54.840 0.044 0.000 0.869 291 L CB 2.323 44.399 42.059 0.028 0.000 1.294 291 L HN -0.364 nan 8.230 nan 0.000 0.405 292 V N 5.705 125.646 119.914 0.046 0.000 2.350 292 V HA 0.512 4.622 4.120 -0.016 0.000 0.276 292 V C -0.341 175.757 176.094 0.007 0.000 1.028 292 V CA -0.584 61.740 62.300 0.040 0.000 0.860 292 V CB 1.549 33.375 31.823 0.004 0.000 0.990 292 V HN 0.509 nan 8.190 nan 0.000 0.453 293 V N 6.597 126.480 119.914 -0.053 0.000 2.370 293 V HA 0.616 4.726 4.120 -0.016 0.000 0.283 293 V C -0.137 175.880 176.094 -0.128 0.000 1.023 293 V CA -0.377 61.841 62.300 -0.137 0.000 0.857 293 V CB 0.851 32.600 31.823 -0.123 0.000 0.985 293 V HN 1.177 nan 8.190 nan 0.000 0.443 294 H N 1.474 120.290 119.070 -0.423 0.000 2.928 294 H HA 0.506 5.052 4.556 -0.017 0.000 0.285 294 H C 0.647 175.841 175.328 -0.223 0.000 1.438 294 H CA -0.685 55.222 56.048 -0.234 0.000 1.176 294 H CB 0.898 30.573 29.762 -0.144 0.000 1.864 294 H HN 0.469 nan 8.280 nan 0.000 0.567 295 H N -0.914 118.038 119.070 -0.197 0.000 2.470 295 H HA 0.201 4.748 4.556 -0.014 0.000 0.289 295 H C 1.163 176.320 175.328 -0.285 0.000 1.033 295 H CA 0.889 56.856 56.048 -0.135 0.000 1.331 295 H CB -0.082 29.695 29.762 0.025 0.000 1.414 295 H HN 1.121 nan 8.280 nan 0.000 0.545 296 G N 0.077 108.271 108.800 -1.009 0.000 2.148 296 G HA2 -0.170 3.780 3.960 -0.016 0.000 0.157 296 G HA3 -0.170 3.780 3.960 -0.016 0.000 0.157 296 G C 0.681 175.330 174.900 -0.418 0.000 1.012 296 G CA 0.041 44.709 45.100 -0.720 0.000 0.677 296 G HN 0.828 nan 8.290 nan 0.000 0.506 297 G N 0.237 108.616 108.800 -0.702 0.000 2.559 297 G HA2 0.444 4.395 3.960 -0.016 0.000 0.235 297 G HA3 0.444 4.395 3.960 -0.016 0.000 0.235 297 G C 1.174 176.060 174.900 -0.023 0.000 1.266 297 G CA 0.817 45.781 45.100 -0.227 0.000 0.847 297 G HN 0.615 nan 8.290 nan 0.000 0.583 298 S N 1.241 116.960 115.700 0.032 0.000 2.383 298 S HA -0.111 4.349 4.470 -0.016 0.000 0.227 298 S C 2.604 177.258 174.600 0.090 0.000 1.026 298 S CA 1.351 59.605 58.200 0.089 0.000 0.981 298 S CB -0.378 62.876 63.200 0.091 0.000 0.818 298 S HN 0.849 nan 8.310 nan 0.000 0.472 299 G N 1.273 110.121 108.800 0.081 0.000 2.421 299 G HA2 -0.187 3.764 3.960 -0.016 0.000 0.216 299 G HA3 -0.187 3.764 3.960 -0.016 0.000 0.216 299 G C 1.449 176.380 174.900 0.050 0.000 1.171 299 G CA 1.502 46.659 45.100 0.095 0.000 0.775 299 G HN 0.493 nan 8.290 nan 0.000 0.543 300 T N 0.640 115.195 114.554 0.002 0.000 2.904 300 T HA -0.037 4.304 4.350 -0.016 0.000 0.267 300 T C 2.628 177.168 174.700 -0.266 0.000 1.059 300 T CA 1.540 63.540 62.100 -0.167 0.000 1.137 300 T CB -0.330 68.346 68.868 -0.319 0.000 0.879 300 T HN 0.251 nan 8.240 nan 0.000 0.467 301 T N 2.632 117.140 114.554 -0.077 0.000 2.622 301 T HA 0.004 4.345 4.350 -0.016 0.000 0.266 301 T C 1.941 176.626 174.700 -0.024 0.000 1.047 301 T CA 1.052 63.170 62.100 0.029 0.000 1.159 301 T CB -0.489 68.462 68.868 0.137 0.000 0.863 301 T HN 0.250 nan 8.240 nan 0.000 0.422 302 L N 0.516 121.732 121.223 -0.012 0.000 2.141 302 L HA 0.026 4.356 4.340 -0.016 0.000 0.209 302 L C 2.964 179.811 176.870 -0.038 0.000 1.094 302 L CA 1.145 55.956 54.840 -0.049 0.000 0.763 302 L CB -0.882 41.169 42.059 -0.013 0.000 0.908 302 L HN 0.360 nan 8.230 nan 0.000 0.437 303 G N -0.306 108.479 108.800 -0.025 0.000 2.402 303 G HA2 -0.223 3.728 3.960 -0.016 0.000 0.216 303 G HA3 -0.223 3.728 3.960 -0.016 0.000 0.216 303 G C 1.786 176.660 174.900 -0.043 0.000 1.162 303 G CA 0.781 45.867 45.100 -0.023 0.000 0.777 303 G HN 0.448 nan 8.290 nan 0.000 0.539 304 A N 0.543 123.323 122.820 -0.067 0.000 1.898 304 A HA 0.120 4.431 4.320 -0.016 0.000 0.216 304 A C 2.452 180.015 177.584 -0.036 0.000 1.181 304 A CA 1.244 53.248 52.037 -0.054 0.000 0.620 304 A CB -0.431 18.524 19.000 -0.076 0.000 0.819 304 A HN 0.343 nan 8.150 nan 0.000 0.442 305 L N -0.648 120.550 121.223 -0.041 0.000 1.994 305 L HA -0.145 4.186 4.340 -0.016 0.000 0.208 305 L C 2.805 179.650 176.870 -0.042 0.000 1.071 305 L CA 1.264 56.079 54.840 -0.042 0.000 0.745 305 L CB -0.844 41.170 42.059 -0.075 0.000 0.892 305 L HN 0.485 nan 8.230 nan 0.000 0.431 306 G N -0.839 107.933 108.800 -0.046 0.000 2.498 306 G HA2 -0.142 3.808 3.960 -0.016 0.000 0.219 306 G HA3 -0.142 3.808 3.960 -0.016 0.000 0.219 306 G C 1.456 176.335 174.900 -0.034 0.000 1.119 306 G CA 0.724 45.802 45.100 -0.037 0.000 0.766 306 G HN 0.481 nan 8.290 nan 0.000 0.552 307 A N -0.471 122.327 122.820 -0.037 0.000 2.308 307 A HA 0.505 4.815 4.320 -0.016 0.000 0.217 307 A C 1.896 179.459 177.584 -0.035 0.000 1.216 307 A CA 1.111 53.122 52.037 -0.043 0.000 0.864 307 A CB -0.256 18.713 19.000 -0.051 0.000 0.902 307 A HN 1.478 nan 8.150 nan 0.000 0.499 308 G N -0.786 108.000 108.800 -0.024 0.000 2.221 308 G HA2 -0.170 3.781 3.960 -0.016 0.000 0.265 308 G HA3 -0.170 3.781 3.960 -0.016 0.000 0.265 308 G C -0.010 174.889 174.900 -0.002 0.000 1.041 308 G CA 0.344 45.437 45.100 -0.012 0.000 0.807 308 G HN 0.843 nan 8.290 nan 0.000 0.502 309 V N 0.864 120.777 119.914 -0.002 0.000 2.435 309 V HA 0.491 4.601 4.120 -0.016 0.000 0.290 309 V C -1.637 174.472 176.094 0.025 0.000 1.030 309 V CA -1.890 60.416 62.300 0.011 0.000 0.881 309 V CB 1.981 33.806 31.823 0.003 0.000 0.983 309 V HN 0.105 nan 8.190 nan 0.000 0.445 310 P HA 0.169 nan 4.420 nan 0.000 0.267 310 P C -0.993 176.324 177.300 0.027 0.000 1.200 310 P CA -0.060 63.073 63.100 0.054 0.000 0.772 310 P CB 0.274 32.010 31.700 0.060 0.000 0.855 311 Q N 1.357 121.174 119.800 0.029 0.000 2.359 311 Q HA 0.708 5.038 4.340 -0.016 0.000 0.274 311 Q C -1.764 174.231 176.000 -0.008 0.000 1.074 311 Q CA -1.219 54.604 55.803 0.034 0.000 0.810 311 Q CB 1.730 30.525 28.738 0.095 0.000 1.342 311 Q HN 0.198 nan 8.270 nan 0.000 0.427 312 L N 2.079 123.267 121.223 -0.058 0.000 2.319 312 L HA 0.592 4.923 4.340 -0.016 0.000 0.281 312 L C -1.067 175.566 176.870 -0.396 0.000 1.005 312 L CA 0.001 54.739 54.840 -0.169 0.000 0.828 312 L CB 1.995 43.954 42.059 -0.166 0.000 1.227 312 L HN 0.873 nan 8.230 nan 0.000 0.415 313 S N 3.199 118.666 115.700 -0.389 0.000 2.578 313 S HA 0.715 5.175 4.470 -0.016 0.000 0.301 313 S C -0.676 173.668 174.600 -0.426 0.000 1.091 313 S CA -0.555 57.262 58.200 -0.638 0.000 1.032 313 S CB 1.247 64.113 63.200 -0.557 0.000 1.064 313 S HN 0.353 nan 8.310 nan 0.000 0.508 314 F N 1.940 121.784 119.950 -0.178 0.000 2.389 314 F HA 0.428 4.946 4.527 -0.015 0.000 0.327 314 F C -2.387 173.334 175.800 -0.132 0.000 1.204 314 F CA -2.955 54.992 58.000 -0.088 0.000 1.209 314 F CB 0.307 39.277 39.000 -0.049 0.000 1.460 314 F HN 0.326 nan 8.300 nan 0.000 0.537 315 P HA -0.042 nan 4.420 nan 0.000 0.268 315 P C 0.005 177.027 177.300 -0.462 0.000 1.204 315 P CA 0.472 63.268 63.100 -0.506 0.000 0.768 315 P CB 1.514 32.658 31.700 -0.926 0.000 0.842 316 W N 3.139 124.099 121.300 -0.568 0.000 4.104 316 W HA 0.378 5.029 4.660 -0.014 0.000 0.160 316 W C -0.962 175.582 176.519 0.043 0.000 0.955 316 W CA 0.682 57.936 57.345 -0.152 0.000 1.538 316 W CB 0.126 29.589 29.460 0.005 0.000 0.551 316 W HN 0.425 nan 8.180 nan 0.000 0.972 317 A N 1.289 124.129 122.820 0.033 0.000 2.325 317 A HA 0.675 4.986 4.320 -0.016 0.000 0.333 317 A C 1.010 178.578 177.584 -0.028 0.000 1.155 317 A CA 0.390 52.366 52.037 -0.102 0.000 0.814 317 A CB 0.298 19.419 19.000 0.201 0.000 1.206 317 A HN 1.193 nan 8.150 nan 0.000 0.482 318 G N 1.906 110.685 108.800 -0.036 0.000 2.672 318 G HA2 -0.379 3.571 3.960 -0.016 0.000 0.324 318 G HA3 -0.379 3.571 3.960 -0.016 0.000 0.324 318 G C 0.387 175.294 174.900 0.012 0.000 1.286 318 G CA 1.251 46.345 45.100 -0.010 0.000 1.004 318 G HN 1.552 nan 8.290 nan 0.000 0.548 319 D N 0.776 121.170 120.400 -0.011 0.000 2.319 319 D HA 0.202 4.833 4.640 -0.016 0.000 0.230 319 D C 2.184 178.461 176.300 -0.039 0.000 1.094 319 D CA 1.351 55.338 54.000 -0.021 0.000 0.856 319 D CB -0.323 40.446 40.800 -0.052 0.000 0.915 319 D HN 0.721 nan 8.370 nan 0.000 0.517 320 S N -0.219 115.428 115.700 -0.088 0.000 2.382 320 S HA -0.189 4.272 4.470 -0.016 0.000 0.228 320 S C 1.698 176.136 174.600 -0.271 0.000 1.027 320 S CA 0.352 58.423 58.200 -0.215 0.000 0.991 320 S CB -0.905 62.115 63.200 -0.300 0.000 0.823 320 S HN 0.200 nan 8.310 nan 0.000 0.469 321 F N 2.549 122.443 119.950 -0.093 0.000 2.146 321 F HA 0.210 4.726 4.527 -0.018 0.000 0.298 321 F C 2.891 178.616 175.800 -0.124 0.000 1.096 321 F CA 0.549 58.473 58.000 -0.128 0.000 1.275 321 F CB -0.996 37.943 39.000 -0.101 0.000 1.008 321 F HN 0.308 nan 8.300 nan 0.000 0.480 322 A N 0.401 123.266 122.820 0.076 0.000 1.902 322 A HA -0.189 4.121 4.320 -0.016 0.000 0.217 322 A C 2.127 179.712 177.584 0.001 0.000 1.181 322 A CA 1.911 53.949 52.037 0.001 0.000 0.623 322 A CB -0.773 18.189 19.000 -0.063 0.000 0.818 322 A HN 0.337 nan 8.150 nan 0.000 0.443 323 N N 0.543 119.245 118.700 0.004 0.000 2.166 323 N HA -0.097 4.634 4.740 -0.016 0.000 0.186 323 N C 1.873 177.408 175.510 0.042 0.000 1.019 323 N CA 1.514 54.612 53.050 0.080 0.000 0.856 323 N CB -0.607 37.922 38.487 0.070 0.000 0.993 323 N HN 0.473 nan 8.380 nan 0.000 0.426 324 A N 1.294 124.072 122.820 -0.070 0.000 1.933 324 A HA -0.212 4.098 4.320 -0.016 0.000 0.218 324 A C 2.201 179.763 177.584 -0.037 0.000 1.175 324 A CA 1.577 53.531 52.037 -0.139 0.000 0.628 324 A CB -0.669 18.047 19.000 -0.474 0.000 0.814 324 A HN 0.426 nan 8.150 nan 0.000 0.444 325 Q N -0.350 119.442 119.800 -0.014 0.000 2.050 325 Q HA -0.134 4.196 4.340 -0.016 0.000 0.202 325 Q C 2.194 178.254 176.000 0.101 0.000 0.980 325 Q CA 1.742 57.581 55.803 0.060 0.000 0.840 325 Q CB -0.390 28.377 28.738 0.047 0.000 0.898 325 Q HN 0.553 nan 8.270 nan 0.000 0.424 326 A N 0.366 123.258 122.820 0.121 0.000 1.883 326 A HA -0.153 4.158 4.320 -0.016 0.000 0.217 326 A C 2.268 179.940 177.584 0.146 0.000 1.186 326 A CA 1.707 53.851 52.037 0.178 0.000 0.624 326 A CB -0.914 18.291 19.000 0.341 0.000 0.822 326 A HN 0.320 nan 8.150 nan 0.000 0.444 327 V N -0.178 119.817 119.914 0.134 0.000 2.287 327 V HA -0.273 3.838 4.120 -0.016 0.000 0.248 327 V C 3.064 179.239 176.094 0.135 0.000 1.053 327 V CA 2.075 64.447 62.300 0.119 0.000 1.027 327 V CB -1.251 30.642 31.823 0.116 0.000 0.646 327 V HN 0.632 nan 8.190 nan 0.000 0.447 328 A N -0.758 122.158 122.820 0.161 0.000 1.933 328 A HA -0.306 4.004 4.320 -0.016 0.000 0.218 328 A C 2.260 179.918 177.584 0.125 0.000 1.175 328 A CA 2.031 54.170 52.037 0.171 0.000 0.628 328 A CB -0.578 18.552 19.000 0.218 0.000 0.814 328 A HN 0.633 nan 8.150 nan 0.000 0.444 329 Q N -0.483 119.384 119.800 0.111 0.000 2.135 329 Q HA -0.116 4.215 4.340 -0.016 0.000 0.204 329 Q C 1.759 177.801 176.000 0.071 0.000 0.981 329 Q CA 1.587 57.443 55.803 0.087 0.000 0.856 329 Q CB -0.285 28.508 28.738 0.091 0.000 0.902 329 Q HN 0.586 nan 8.270 nan 0.000 0.425 330 A N -0.391 122.474 122.820 0.075 0.000 2.275 330 A HA 0.328 4.639 4.320 -0.016 0.000 0.212 330 A C 1.307 178.919 177.584 0.047 0.000 1.201 330 A CA 0.568 52.637 52.037 0.053 0.000 0.843 330 A CB -0.351 18.677 19.000 0.046 0.000 0.873 330 A HN 0.583 nan 8.150 nan 0.000 0.492 331 G N -1.246 107.592 108.800 0.064 0.000 2.341 331 G HA2 -0.074 3.877 3.960 -0.016 0.000 0.292 331 G HA3 -0.074 3.877 3.960 -0.016 0.000 0.292 331 G C 0.718 175.680 174.900 0.103 0.000 1.021 331 G CA 0.467 45.599 45.100 0.053 0.000 0.905 331 G HN 1.505 nan 8.290 nan 0.000 0.508 332 A N -0.971 121.934 122.820 0.142 0.000 2.423 332 A HA 0.749 5.060 4.320 -0.016 0.000 0.246 332 A C 1.424 179.122 177.584 0.190 0.000 1.278 332 A CA 1.115 53.240 52.037 0.147 0.000 0.903 332 A CB 0.195 19.243 19.000 0.080 0.000 0.997 332 A HN 2.252 nan 8.150 nan 0.000 0.510 333 G N -1.351 107.610 108.800 0.269 0.000 2.344 333 G HA2 0.417 4.367 3.960 -0.016 0.000 0.282 333 G HA3 0.417 4.367 3.960 -0.016 0.000 0.282 333 G C -2.132 172.842 174.900 0.123 0.000 1.281 333 G CA 0.191 45.377 45.100 0.143 0.000 0.877 333 G HN 0.145 nan 8.290 nan 0.000 0.494 334 D N -1.471 118.943 120.400 0.023 0.000 2.768 334 D HA 0.540 5.171 4.640 -0.016 0.000 0.327 334 D C -1.152 175.185 176.300 0.062 0.000 1.302 334 D CA -0.103 53.913 54.000 0.025 0.000 0.897 334 D CB 1.626 42.365 40.800 -0.102 0.000 1.420 334 D HN 0.794 nan 8.370 nan 0.000 0.494 335 H N -1.062 118.012 119.070 0.008 0.000 3.017 335 H HA 0.594 5.141 4.556 -0.015 0.000 0.346 335 H C -1.316 174.071 175.328 0.098 0.000 1.286 335 H CA -0.810 55.251 56.048 0.022 0.000 1.120 335 H CB 0.801 30.568 29.762 0.008 0.000 1.860 335 H HN 0.242 nan 8.280 nan 0.000 0.542 336 L N 2.208 123.611 121.223 0.299 0.000 2.362 336 L HA 0.372 4.703 4.340 -0.016 0.000 0.275 336 L C 0.106 177.147 176.870 0.284 0.000 0.998 336 L CA -0.883 54.099 54.840 0.237 0.000 0.820 336 L CB 2.252 44.442 42.059 0.217 0.000 1.270 336 L HN 0.353 nan 8.230 nan 0.000 0.415 337 L N 3.530 124.898 121.223 0.241 0.000 2.464 337 L HA 0.161 4.492 4.340 -0.016 0.000 0.264 337 L C -1.277 175.695 176.870 0.171 0.000 1.199 337 L CA -1.446 53.549 54.840 0.259 0.000 0.818 337 L CB 0.360 42.566 42.059 0.246 0.000 1.102 337 L HN 0.394 nan 8.230 nan 0.000 0.473 338 P HA -0.181 nan 4.420 nan 0.000 0.218 338 P C 0.514 177.848 177.300 0.058 0.000 1.146 338 P CA 1.204 64.386 63.100 0.137 0.000 0.813 338 P CB -0.015 31.854 31.700 0.282 0.000 0.778 339 D N -2.576 117.872 120.400 0.080 0.000 2.325 339 D HA -0.002 4.628 4.640 -0.016 0.000 0.225 339 D C 0.469 176.778 176.300 0.015 0.000 1.096 339 D CA 0.154 54.179 54.000 0.042 0.000 0.844 339 D CB -0.782 40.052 40.800 0.058 0.000 0.925 339 D HN 0.051 nan 8.370 nan 0.000 0.513 340 N N 0.447 119.148 118.700 0.002 0.000 2.536 340 N HA 0.115 4.846 4.740 -0.016 0.000 0.286 340 N C -1.315 174.154 175.510 -0.068 0.000 1.577 340 N CA -0.355 52.686 53.050 -0.015 0.000 0.883 340 N CB 0.259 38.756 38.487 0.018 0.000 1.390 340 N HN -0.009 nan 8.380 nan 0.000 0.491 341 I N 1.797 122.290 120.570 -0.128 0.000 2.337 341 I HA 0.361 4.522 4.170 -0.016 0.000 0.285 341 I C 0.065 176.070 176.117 -0.186 0.000 1.041 341 I CA -0.422 60.730 61.300 -0.247 0.000 1.199 341 I CB 0.127 37.892 38.000 -0.392 0.000 1.370 341 I HN 0.208 nan 8.210 nan 0.000 0.470 342 S N 6.077 121.689 115.700 -0.145 0.000 2.618 342 S HA 0.633 5.093 4.470 -0.016 0.000 0.277 342 S C -2.476 172.077 174.600 -0.079 0.000 1.138 342 S CA -1.239 56.901 58.200 -0.100 0.000 0.844 342 S CB 2.458 65.619 63.200 -0.065 0.000 1.127 342 S HN 0.166 nan 8.310 nan 0.000 0.474 343 P HA -0.136 nan 4.420 nan 0.000 0.217 343 P C 0.839 178.126 177.300 -0.022 0.000 1.151 343 P CA 1.774 64.852 63.100 -0.036 0.000 0.849 343 P CB -0.047 31.635 31.700 -0.031 0.000 0.787 344 D N -0.980 119.406 120.400 -0.024 0.000 2.103 344 D HA -0.126 4.504 4.640 -0.016 0.000 0.199 344 D C 2.023 178.317 176.300 -0.010 0.000 0.978 344 D CA 1.640 55.631 54.000 -0.014 0.000 0.829 344 D CB -0.309 40.482 40.800 -0.014 0.000 0.981 344 D HN 0.070 nan 8.370 nan 0.000 0.464 345 S N -0.600 115.090 115.700 -0.017 0.000 2.368 345 S HA -0.121 4.340 4.470 -0.016 0.000 0.224 345 S C 2.172 176.779 174.600 0.011 0.000 1.029 345 S CA 1.102 59.297 58.200 -0.009 0.000 0.988 345 S CB -0.701 62.487 63.200 -0.021 0.000 0.838 345 S HN 0.152 nan 8.310 nan 0.000 0.462 346 V N 1.866 121.787 119.914 0.011 0.000 2.358 346 V HA -0.118 3.993 4.120 -0.016 0.000 0.246 346 V C 3.030 179.156 176.094 0.052 0.000 1.047 346 V CA 1.887 64.229 62.300 0.069 0.000 1.035 346 V CB -1.142 30.726 31.823 0.074 0.000 0.658 346 V HN 0.693 nan 8.190 nan 0.000 0.452 347 S N 0.533 116.247 115.700 0.024 0.000 2.359 347 S HA -0.147 4.313 4.470 -0.016 0.000 0.224 347 S C 2.100 176.707 174.600 0.011 0.000 1.035 347 S CA 1.955 60.165 58.200 0.017 0.000 1.018 347 S CB -0.668 62.536 63.200 0.007 0.000 0.876 347 S HN 0.617 nan 8.310 nan 0.000 0.448 348 G N 0.679 109.483 108.800 0.007 0.000 2.421 348 G HA2 -0.018 3.932 3.960 -0.016 0.000 0.216 348 G HA3 -0.018 3.932 3.960 -0.016 0.000 0.216 348 G C 1.715 176.611 174.900 -0.007 0.000 1.171 348 G CA 0.969 46.071 45.100 0.002 0.000 0.775 348 G HN 0.722 nan 8.290 nan 0.000 0.543 349 A N 1.095 123.911 122.820 -0.006 0.000 1.933 349 A HA 0.296 4.607 4.320 -0.016 0.000 0.218 349 A C 2.805 180.353 177.584 -0.061 0.000 1.175 349 A CA 2.204 54.219 52.037 -0.036 0.000 0.628 349 A CB -0.743 18.251 19.000 -0.009 0.000 0.814 349 A HN 0.766 nan 8.150 nan 0.000 0.444 350 A N -0.145 122.662 122.820 -0.021 0.000 1.902 350 A HA -0.159 4.151 4.320 -0.016 0.000 0.217 350 A C 2.106 179.673 177.584 -0.029 0.000 1.181 350 A CA 1.808 53.831 52.037 -0.025 0.000 0.623 350 A CB -0.449 18.557 19.000 0.010 0.000 0.818 350 A HN 0.526 nan 8.150 nan 0.000 0.443 351 K N -0.885 119.507 120.400 -0.013 0.000 2.063 351 K HA -0.175 4.135 4.320 -0.016 0.000 0.208 351 K C 2.394 178.991 176.600 -0.006 0.000 1.048 351 K CA 1.618 57.904 56.287 -0.002 0.000 0.928 351 K CB -0.163 32.340 32.500 0.006 0.000 0.713 351 K HN 0.476 nan 8.250 nan 0.000 0.442 352 R N 1.071 121.554 120.500 -0.028 0.000 2.066 352 R HA -0.043 4.287 4.340 -0.016 0.000 0.232 352 R C 2.167 178.427 176.300 -0.067 0.000 1.131 352 R CA 0.993 57.082 56.100 -0.018 0.000 0.955 352 R CB -0.135 30.147 30.300 -0.029 0.000 0.851 352 R HN 0.126 nan 8.270 nan 0.000 0.432 353 L N 0.728 121.811 121.223 -0.234 0.000 2.265 353 L HA -0.150 4.180 4.340 -0.016 0.000 0.215 353 L C 2.103 178.943 176.870 -0.049 0.000 1.117 353 L CA 0.872 55.502 54.840 -0.350 0.000 0.782 353 L CB -0.209 41.630 42.059 -0.367 0.000 0.914 353 L HN 0.316 nan 8.230 nan 0.000 0.441 354 L N -1.109 120.107 121.223 -0.011 0.000 2.298 354 L HA 0.050 4.381 4.340 -0.016 0.000 0.209 354 L C 2.673 179.577 176.870 0.057 0.000 1.084 354 L CA 0.565 55.423 54.840 0.031 0.000 0.816 354 L CB -0.294 41.778 42.059 0.021 0.000 0.967 354 L HN 0.147 nan 8.230 nan 0.000 0.460 355 A N -0.376 122.482 122.820 0.063 0.000 1.878 355 A HA -0.013 4.297 4.320 -0.016 0.000 0.213 355 A C 0.920 178.562 177.584 0.096 0.000 1.192 355 A CA 0.365 52.442 52.037 0.068 0.000 0.619 355 A CB -0.151 18.882 19.000 0.056 0.000 0.837 355 A HN 0.280 nan 8.150 nan 0.000 0.446 356 E N 0.418 120.714 120.200 0.160 0.000 2.217 356 E HA 0.148 4.489 4.350 -0.016 0.000 0.279 356 E C 0.410 177.111 176.600 0.169 0.000 1.068 356 E CA -0.180 56.325 56.400 0.175 0.000 0.882 356 E CB 1.128 30.982 29.700 0.256 0.000 1.039 356 E HN 0.460 nan 8.360 nan 0.000 0.418 357 E N 2.609 122.853 120.200 0.073 0.000 2.204 357 E HA -0.201 4.140 4.350 -0.016 0.000 0.195 357 E C 1.654 178.264 176.600 0.016 0.000 0.990 357 E CA 1.750 58.181 56.400 0.050 0.000 0.821 357 E CB -0.031 29.683 29.700 0.023 0.000 0.750 357 E HN 0.471 nan 8.360 nan 0.000 0.477 358 S N -0.959 114.700 115.700 -0.069 0.000 2.419 358 S HA -0.219 4.242 4.470 -0.016 0.000 0.235 358 S C 1.766 176.257 174.600 -0.182 0.000 1.019 358 S CA 1.130 59.230 58.200 -0.167 0.000 0.982 358 S CB -0.745 62.285 63.200 -0.283 0.000 0.789 358 S HN 0.395 nan 8.310 nan 0.000 0.490 359 Y N 1.731 122.039 120.300 0.013 0.000 2.220 359 Y HA 0.157 4.697 4.550 -0.016 0.000 0.291 359 Y C 2.890 178.797 175.900 0.012 0.000 1.129 359 Y CA 1.082 59.191 58.100 0.015 0.000 1.161 359 Y CB -0.437 38.033 38.460 0.017 0.000 0.997 359 Y HN 0.217 nan 8.280 nan 0.000 0.522 360 R N 0.433 121.025 120.500 0.154 0.000 2.073 360 R HA -0.106 4.225 4.340 -0.016 0.000 0.229 360 R C 2.372 178.699 176.300 0.046 0.000 1.120 360 R CA 1.116 57.266 56.100 0.084 0.000 0.967 360 R CB -0.431 29.908 30.300 0.064 0.000 0.862 360 R HN 0.277 nan 8.270 nan 0.000 0.436 361 A N 0.394 123.230 122.820 0.027 0.000 1.917 361 A HA -0.133 4.177 4.320 -0.016 0.000 0.219 361 A C 2.350 179.936 177.584 0.004 0.000 1.182 361 A CA 1.900 53.940 52.037 0.004 0.000 0.633 361 A CB -1.398 17.593 19.000 -0.015 0.000 0.819 361 A HN 0.596 nan 8.150 nan 0.000 0.448 362 G N -0.895 107.908 108.800 0.006 0.000 2.422 362 G HA2 0.037 3.988 3.960 -0.016 0.000 0.218 362 G HA3 0.037 3.988 3.960 -0.016 0.000 0.218 362 G C 1.682 176.597 174.900 0.026 0.000 1.146 362 G CA 1.374 46.482 45.100 0.013 0.000 0.769 362 G HN 0.835 nan 8.290 nan 0.000 0.547 363 A N 0.696 123.539 122.820 0.039 0.000 1.968 363 A HA 0.107 4.417 4.320 -0.016 0.000 0.217 363 A C 2.427 180.015 177.584 0.008 0.000 1.169 363 A CA 1.235 53.288 52.037 0.027 0.000 0.638 363 A CB -0.259 18.764 19.000 0.038 0.000 0.812 363 A HN 0.348 nan 8.150 nan 0.000 0.446 364 R N -0.307 120.198 120.500 0.008 0.000 2.115 364 R HA -0.004 4.327 4.340 -0.016 0.000 0.230 364 R C 2.412 178.710 176.300 -0.004 0.000 1.111 364 R CA 1.017 57.116 56.100 -0.001 0.000 0.976 364 R CB -0.431 29.869 30.300 -0.000 0.000 0.870 364 R HN 0.483 nan 8.270 nan 0.000 0.445 365 A N 0.885 123.704 122.820 -0.001 0.000 1.908 365 A HA -0.122 4.188 4.320 -0.016 0.000 0.218 365 A C 2.317 179.898 177.584 -0.006 0.000 1.181 365 A CA 1.497 53.533 52.037 -0.002 0.000 0.627 365 A CB -0.435 18.565 19.000 0.000 0.000 0.818 365 A HN 0.118 nan 8.150 nan 0.000 0.445 366 V N -0.368 119.540 119.914 -0.010 0.000 2.453 366 V HA -0.136 3.975 4.120 -0.016 0.000 0.247 366 V C 2.980 179.057 176.094 -0.029 0.000 1.048 366 V CA 1.529 63.815 62.300 -0.024 0.000 1.049 366 V CB -1.239 30.562 31.823 -0.038 0.000 0.672 366 V HN 0.594 nan 8.190 nan 0.000 0.457 367 A N 0.446 123.252 122.820 -0.023 0.000 1.908 367 A HA -0.149 4.162 4.320 -0.016 0.000 0.218 367 A C 2.433 180.007 177.584 -0.017 0.000 1.181 367 A CA 2.195 54.218 52.037 -0.023 0.000 0.627 367 A CB -0.736 18.251 19.000 -0.021 0.000 0.818 367 A HN 0.562 nan 8.150 nan 0.000 0.445 368 A N -0.416 122.397 122.820 -0.012 0.000 1.873 368 A HA -0.176 4.135 4.320 -0.016 0.000 0.215 368 A C 2.051 179.633 177.584 -0.004 0.000 1.186 368 A CA 1.781 53.814 52.037 -0.007 0.000 0.616 368 A CB -0.561 18.436 19.000 -0.005 0.000 0.823 368 A HN 0.680 nan 8.150 nan 0.000 0.442 369 E N -0.152 120.045 120.200 -0.006 0.000 2.077 369 E HA -0.174 4.167 4.350 -0.016 0.000 0.193 369 E C 1.866 178.465 176.600 -0.002 0.000 0.989 369 E CA 1.288 57.688 56.400 -0.001 0.000 0.800 369 E CB -0.221 29.477 29.700 -0.003 0.000 0.746 369 E HN 0.667 nan 8.360 nan 0.000 0.452 370 I N 0.834 121.396 120.570 -0.013 0.000 2.252 370 I HA -0.226 3.934 4.170 -0.016 0.000 0.245 370 I C 2.544 178.663 176.117 0.003 0.000 1.102 370 I CA 0.922 62.215 61.300 -0.011 0.000 1.385 370 I CB -0.326 37.658 38.000 -0.027 0.000 1.064 370 I HN 0.186 nan 8.210 nan 0.000 0.414 371 A N 0.845 123.665 122.820 0.000 0.000 2.015 371 A HA 0.094 4.404 4.320 -0.016 0.000 0.219 371 A C 1.634 179.225 177.584 0.011 0.000 1.163 371 A CA 1.169 53.209 52.037 0.004 0.000 0.646 371 A CB -0.570 18.428 19.000 -0.002 0.000 0.806 371 A HN 0.376 nan 8.150 nan 0.000 0.448 375 G N 2.294 111.125 108.800 0.051 0.000 2.616 375 G HA2 0.416 4.366 3.960 -0.016 0.000 0.268 375 G HA3 0.416 4.366 3.960 -0.016 0.000 0.268 375 G C -1.599 173.342 174.900 0.069 0.000 1.213 375 G CA -0.974 44.160 45.100 0.057 0.000 0.926 375 G HN 0.217 nan 8.290 nan 0.000 0.523 376 P HA -0.131 nan 4.420 nan 0.000 0.215 376 P C 1.233 178.589 177.300 0.092 0.000 1.163 376 P CA 1.436 64.597 63.100 0.101 0.000 0.894 376 P CB 0.166 31.932 31.700 0.111 0.000 0.791 377 D N -0.692 119.753 120.400 0.076 0.000 2.133 377 D HA -0.206 4.424 4.640 -0.016 0.000 0.195 377 D C 1.966 178.300 176.300 0.057 0.000 0.997 377 D CA 1.213 55.253 54.000 0.066 0.000 0.840 377 D CB -0.646 40.184 40.800 0.049 0.000 0.947 377 D HN 0.391 nan 8.370 nan 0.000 0.452 378 E N 0.527 120.757 120.200 0.050 0.000 2.028 378 E HA -0.133 4.208 4.350 -0.016 0.000 0.191 378 E C 2.106 178.730 176.600 0.040 0.000 0.988 378 E CA 0.855 57.279 56.400 0.039 0.000 0.799 378 E CB 0.109 29.832 29.700 0.038 0.000 0.755 378 E HN -0.009 nan 8.360 nan 0.000 0.447 379 V N 0.921 120.868 119.914 0.055 0.000 2.594 379 V HA -0.197 3.914 4.120 -0.016 0.000 0.253 379 V C 2.354 178.484 176.094 0.061 0.000 1.069 379 V CA 1.366 63.700 62.300 0.057 0.000 1.082 379 V CB -0.112 31.754 31.823 0.072 0.000 0.680 379 V HN 0.270 nan 8.190 nan 0.000 0.469 380 V N 0.164 120.128 119.914 0.083 0.000 2.970 380 V HA -0.132 3.979 4.120 -0.016 0.000 0.260 380 V C 2.467 178.607 176.094 0.078 0.000 1.100 380 V CA 1.480 63.847 62.300 0.112 0.000 1.122 380 V CB -0.565 31.348 31.823 0.150 0.000 0.721 380 V HN 0.524 nan 8.190 nan 0.000 0.483 381 R N -0.439 120.080 120.500 0.031 0.000 2.237 381 R HA 0.021 4.352 4.340 -0.016 0.000 0.219 381 R C 1.827 178.074 176.300 -0.088 0.000 1.080 381 R CA 0.970 57.068 56.100 -0.003 0.000 0.995 381 R CB -0.190 30.102 30.300 -0.013 0.000 0.875 381 R HN 0.453 nan 8.270 nan 0.000 0.462 382 L N -0.127 120.998 121.223 -0.162 0.000 2.509 382 L HA -0.026 4.305 4.340 -0.016 0.000 0.222 382 L C 1.537 178.038 176.870 -0.614 0.000 1.123 382 L CA -0.009 54.556 54.840 -0.457 0.000 0.856 382 L CB -0.207 41.499 42.059 -0.589 0.000 0.985 382 L HN 0.085 nan 8.230 nan 0.000 0.456 383 L N 0.665 121.783 121.223 -0.176 0.000 2.013 383 L HA -0.148 4.182 4.340 -0.016 0.000 0.212 383 L C -0.109 176.707 176.870 -0.090 0.000 1.073 383 L CA 2.379 57.218 54.840 -0.001 0.000 0.753 383 L CB -1.881 40.178 42.059 0.000 0.000 0.890 383 L HN 0.150 nan 8.230 nan 0.000 0.432 384 P HA -0.136 nan 4.420 nan 0.000 0.215 384 P C 1.667 178.898 177.300 -0.116 0.000 1.157 384 P CA 1.802 64.855 63.100 -0.079 0.000 0.868 384 P CB -0.287 31.392 31.700 -0.034 0.000 0.788 385 G N -1.184 107.475 108.800 -0.234 0.000 2.475 385 G HA2 -0.267 3.683 3.960 -0.016 0.000 0.220 385 G HA3 -0.267 3.683 3.960 -0.016 0.000 0.220 385 G C 1.092 175.885 174.900 -0.178 0.000 1.125 385 G CA 0.544 45.491 45.100 -0.256 0.000 0.755 385 G HN 0.144 nan 8.290 nan 0.000 0.565 386 F N 1.515 121.425 119.950 -0.067 0.000 2.234 386 F HA 0.182 4.696 4.527 -0.021 0.000 0.299 386 F C 2.872 178.636 175.800 -0.061 0.000 1.087 386 F CA 0.174 58.134 58.000 -0.066 0.000 1.340 386 F CB -0.634 38.309 39.000 -0.095 0.000 1.031 386 F HN 0.246 nan 8.300 nan 0.000 0.500 387 A N -0.780 122.094 122.820 0.090 0.000 2.066 387 A HA -0.002 4.309 4.320 -0.016 0.000 0.218 387 A C 1.773 179.368 177.584 0.018 0.000 1.157 387 A CA 0.530 52.584 52.037 0.029 0.000 0.670 387 A CB -0.769 18.224 19.000 -0.012 0.000 0.804 387 A HN 0.228 nan 8.150 nan 0.000 0.453 388 S N 0.000 115.708 115.700 0.014 0.000 2.498 388 S HA 0.000 4.461 4.470 -0.016 0.000 0.327 388 S CA 0.000 58.205 58.200 0.008 0.000 1.107 388 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 388 S HN 0.000 nan 8.310 nan 0.000 0.517