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 2eq9_1_A DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.229 176.300 -0.118 0.000 1.140 7 M CA 0.000 55.226 55.300 -0.123 0.000 0.988 7 M CB 0.000 32.553 32.600 -0.079 0.000 1.302 8 K N 3.033 123.339 120.400 -0.156 0.000 2.350 8 K HA 0.461 4.774 4.320 -0.012 0.000 0.279 8 K C 0.053 176.610 176.600 -0.072 0.000 1.027 8 K CA 0.244 56.459 56.287 -0.121 0.000 0.969 8 K CB 1.094 33.590 32.500 -0.007 0.000 0.954 8 K HN 0.698 nan 8.250 nan 0.000 0.474 9 T N -0.211 114.192 114.554 -0.252 0.000 2.908 9 T HA 0.596 4.939 4.350 -0.012 0.000 0.290 9 T C -0.915 173.535 174.700 -0.417 0.000 1.034 9 T CA -0.758 61.258 62.100 -0.140 0.000 1.010 9 T CB 0.753 69.585 68.868 -0.061 0.000 1.068 9 T HN 0.405 nan 8.240 nan 0.000 0.481 10 Y N -0.583 119.751 120.300 0.058 0.000 2.715 10 Y HA 0.466 5.009 4.550 -0.012 0.000 0.331 10 Y C 0.712 176.636 175.900 0.039 0.000 1.197 10 Y CA -1.328 56.800 58.100 0.047 0.000 1.079 10 Y CB 0.945 39.435 38.460 0.050 0.000 1.298 10 Y HN 0.546 nan 8.280 nan 0.000 0.477 11 D N 0.187 120.712 120.400 0.209 0.000 2.249 11 D HA 0.097 4.730 4.640 -0.012 0.000 0.205 11 D C -0.509 175.862 176.300 0.117 0.000 0.962 11 D CA 1.243 55.317 54.000 0.125 0.000 0.860 11 D CB 0.503 41.356 40.800 0.088 0.000 0.955 11 D HN 0.255 nan 8.370 nan 0.000 0.505 12 L N 0.002 121.301 121.223 0.126 0.000 2.545 12 L HA 0.416 4.749 4.340 -0.012 0.000 0.258 12 L C -1.935 174.941 176.870 0.010 0.000 0.942 12 L CA -0.511 54.370 54.840 0.068 0.000 0.855 12 L CB 2.203 44.280 42.059 0.030 0.000 1.374 12 L HN -0.247 nan 8.230 nan 0.000 0.411 13 I N 5.020 125.586 120.570 -0.008 0.000 2.418 13 I HA 0.500 4.662 4.170 -0.012 0.000 0.287 13 I C -0.893 175.183 176.117 -0.069 0.000 1.008 13 I CA -0.907 60.340 61.300 -0.088 0.000 1.104 13 I CB 1.983 39.945 38.000 -0.062 0.000 1.264 13 I HN 0.272 nan 8.210 nan 0.000 0.438 14 V N 7.348 127.203 119.914 -0.099 0.000 2.427 14 V HA 0.421 4.534 4.120 -0.012 0.000 0.286 14 V C 0.161 176.200 176.094 -0.092 0.000 1.034 14 V CA -0.482 61.777 62.300 -0.069 0.000 0.893 14 V CB 1.949 33.740 31.823 -0.052 0.000 0.982 14 V HN 0.471 nan 8.190 nan 0.000 0.452 15 I N 4.712 125.234 120.570 -0.079 0.000 2.306 15 I HA 0.688 4.851 4.170 -0.012 0.000 0.288 15 I C 0.671 176.739 176.117 -0.081 0.000 1.036 15 I CA 0.010 61.245 61.300 -0.108 0.000 1.221 15 I CB 1.002 38.925 38.000 -0.128 0.000 1.385 15 I HN 0.889 nan 8.210 nan 0.000 0.472 16 G N 3.473 112.229 108.800 -0.072 0.000 2.906 16 G HA2 -0.100 3.852 3.960 -0.012 0.000 0.686 16 G HA3 -0.100 3.852 3.960 -0.012 0.000 0.686 16 G C -0.134 174.768 174.900 0.004 0.000 1.170 16 G CA -0.369 44.710 45.100 -0.034 0.000 0.775 16 G HN 0.687 nan 8.290 nan 0.000 0.630 17 T N -0.071 114.505 114.554 0.037 0.000 3.308 17 T HA 0.651 4.994 4.350 -0.012 0.000 0.270 17 T C 1.173 175.995 174.700 0.204 0.000 0.992 17 T CA 0.835 63.002 62.100 0.111 0.000 0.931 17 T CB 0.684 69.595 68.868 0.072 0.000 1.142 17 T HN 1.708 nan 8.240 nan 0.000 0.525 18 G N 1.929 110.809 108.800 0.133 0.000 2.525 18 G HA2 0.493 4.445 3.960 -0.012 0.000 0.287 18 G HA3 0.493 4.445 3.960 -0.012 0.000 0.287 18 G C -1.573 173.375 174.900 0.079 0.000 1.350 18 G CA -1.799 43.384 45.100 0.139 0.000 1.039 18 G HN 0.031 nan 8.290 nan 0.000 0.513 19 P HA -0.160 nan 4.420 nan 0.000 0.217 19 P C 1.974 178.983 177.300 -0.486 0.000 1.158 19 P CA 2.149 65.008 63.100 -0.402 0.000 0.887 19 P CB 0.020 31.589 31.700 -0.218 0.000 0.792 20 G N -0.875 107.778 108.800 -0.244 0.000 2.414 20 G HA2 -0.160 3.793 3.960 -0.012 0.000 0.215 20 G HA3 -0.160 3.793 3.960 -0.012 0.000 0.215 20 G C 1.817 176.654 174.900 -0.105 0.000 1.188 20 G CA 0.889 45.887 45.100 -0.170 0.000 0.783 20 G HN 0.359 nan 8.290 nan 0.000 0.537 21 G N 0.652 109.417 108.800 -0.058 0.000 2.459 21 G HA2 -0.261 3.692 3.960 -0.012 0.000 0.217 21 G HA3 -0.261 3.692 3.960 -0.012 0.000 0.217 21 G C 1.739 176.667 174.900 0.047 0.000 1.183 21 G CA 1.433 46.532 45.100 -0.001 0.000 0.776 21 G HN 0.664 nan 8.290 nan 0.000 0.552 22 Y N -0.253 120.075 120.300 0.046 0.000 2.439 22 Y HA 0.126 4.667 4.550 -0.014 0.000 0.292 22 Y C 2.387 178.298 175.900 0.018 0.000 1.130 22 Y CA 1.252 59.366 58.100 0.024 0.000 1.254 22 Y CB -0.719 37.750 38.460 0.015 0.000 1.000 22 Y HN 0.276 nan 8.280 nan 0.000 0.554 23 H N 0.548 119.456 119.070 -0.271 0.000 2.363 23 H HA 0.123 4.671 4.556 -0.013 0.000 0.301 23 H C 2.351 177.634 175.328 -0.075 0.000 1.074 23 H CA 1.458 57.404 56.048 -0.171 0.000 1.354 23 H CB -0.367 29.244 29.762 -0.251 0.000 1.397 23 H HN 0.476 nan 8.280 nan 0.000 0.516 24 A N 0.741 123.579 122.820 0.029 0.000 1.858 24 A HA -0.112 4.200 4.320 -0.012 0.000 0.216 24 A C 2.546 180.120 177.584 -0.016 0.000 1.190 24 A CA 1.762 53.793 52.037 -0.010 0.000 0.617 24 A CB -1.199 17.784 19.000 -0.028 0.000 0.827 24 A HN 0.463 nan 8.150 nan 0.000 0.443 25 A N -0.010 122.810 122.820 0.000 0.000 1.865 25 A HA -0.143 4.170 4.320 -0.012 0.000 0.217 25 A C 2.167 179.748 177.584 -0.005 0.000 1.191 25 A CA 1.729 53.764 52.037 -0.004 0.000 0.623 25 A CB -0.679 18.327 19.000 0.011 0.000 0.826 25 A HN 0.513 nan 8.150 nan 0.000 0.444 26 I N -1.325 119.246 120.570 0.002 0.000 2.202 26 I HA -0.217 3.946 4.170 -0.012 0.000 0.242 26 I C 2.685 178.783 176.117 -0.031 0.000 1.091 26 I CA 1.672 62.962 61.300 -0.017 0.000 1.368 26 I CB -0.315 37.668 38.000 -0.028 0.000 1.058 26 I HN 0.289 nan 8.210 nan 0.000 0.410 27 R N 1.872 122.349 120.500 -0.039 0.000 2.105 27 R HA -0.130 4.202 4.340 -0.012 0.000 0.239 27 R C 2.139 178.423 176.300 -0.027 0.000 1.135 27 R CA 1.923 58.003 56.100 -0.033 0.000 0.967 27 R CB -0.828 29.456 30.300 -0.027 0.000 0.861 27 R HN 0.359 nan 8.270 nan 0.000 0.442 28 A N 0.153 122.956 122.820 -0.028 0.000 1.902 28 A HA -0.020 4.292 4.320 -0.012 0.000 0.217 28 A C 2.381 179.959 177.584 -0.010 0.000 1.181 28 A CA 1.804 53.827 52.037 -0.025 0.000 0.623 28 A CB -1.036 17.946 19.000 -0.029 0.000 0.818 28 A HN 0.483 nan 8.150 nan 0.000 0.443 29 A N -0.579 122.236 122.820 -0.008 0.000 1.933 29 A HA -0.201 4.112 4.320 -0.012 0.000 0.218 29 A C 2.078 179.660 177.584 -0.003 0.000 1.175 29 A CA 1.580 53.617 52.037 -0.000 0.000 0.628 29 A CB -0.583 18.416 19.000 -0.001 0.000 0.814 29 A HN 0.659 nan 8.150 nan 0.000 0.444 30 Q N -0.470 119.324 119.800 -0.011 0.000 2.226 30 Q HA -0.020 4.313 4.340 -0.012 0.000 0.204 30 Q C 1.313 177.308 176.000 -0.007 0.000 0.975 30 Q CA 0.983 56.779 55.803 -0.011 0.000 0.866 30 Q CB -0.288 28.439 28.738 -0.018 0.000 0.915 30 Q HN 0.647 nan 8.270 nan 0.000 0.440 31 L N -0.439 120.780 121.223 -0.007 0.000 2.627 31 L HA 0.159 4.491 4.340 -0.012 0.000 0.232 31 L C 0.931 177.803 176.870 0.002 0.000 1.150 31 L CA 0.273 55.111 54.840 -0.004 0.000 0.917 31 L CB -0.143 41.911 42.059 -0.008 0.000 1.104 31 L HN 0.395 nan 8.230 nan 0.000 0.445 32 G N 0.019 108.822 108.800 0.005 0.000 2.143 32 G HA2 -0.239 3.714 3.960 -0.012 0.000 0.249 32 G HA3 -0.239 3.714 3.960 -0.012 0.000 0.249 32 G C 0.232 175.143 174.900 0.019 0.000 0.981 32 G CA -0.231 44.876 45.100 0.011 0.000 0.665 32 G HN 0.212 nan 8.290 nan 0.000 0.528 33 L N -0.315 120.920 121.223 0.020 0.000 2.421 33 L HA 0.482 4.815 4.340 -0.012 0.000 0.263 33 L C 0.865 177.766 176.870 0.053 0.000 1.122 33 L CA -0.673 54.188 54.840 0.035 0.000 0.804 33 L CB 1.171 43.247 42.059 0.029 0.000 1.150 33 L HN 0.162 nan 8.230 nan 0.000 0.457 34 K N 1.740 122.190 120.400 0.084 0.000 2.267 34 K HA 0.476 4.789 4.320 -0.012 0.000 0.282 34 K C -1.307 175.403 176.600 0.183 0.000 1.078 34 K CA -0.398 55.972 56.287 0.137 0.000 0.903 34 K CB 0.956 33.542 32.500 0.144 0.000 1.111 34 K HN 0.381 nan 8.250 nan 0.000 0.475 35 V N 5.422 125.410 119.914 0.124 0.000 2.555 35 V HA 0.421 4.534 4.120 -0.012 0.000 0.302 35 V C -0.827 175.175 176.094 -0.153 0.000 1.038 35 V CA -1.132 61.174 62.300 0.009 0.000 0.887 35 V CB 1.478 33.291 31.823 -0.018 0.000 0.991 35 V HN 0.688 nan 8.190 nan 0.000 0.434 36 L N 4.036 125.007 121.223 -0.420 0.000 2.333 36 L HA 0.921 5.253 4.340 -0.012 0.000 0.280 36 L C 0.008 176.673 176.870 -0.343 0.000 1.004 36 L CA -0.196 54.270 54.840 -0.623 0.000 0.820 36 L CB 1.294 42.579 42.059 -1.291 0.000 1.247 36 L HN 0.797 nan 8.230 nan 0.000 0.416 37 A N 5.256 127.932 122.820 -0.241 0.000 2.303 37 A HA 0.769 5.082 4.320 -0.012 0.000 0.320 37 A C -1.146 176.333 177.584 -0.176 0.000 1.192 37 A CA -0.542 51.398 52.037 -0.162 0.000 0.821 37 A CB 1.194 20.140 19.000 -0.090 0.000 1.188 37 A HN 0.531 nan 8.150 nan 0.000 0.492 38 V N 2.174 121.984 119.914 -0.173 0.000 2.459 38 V HA 0.601 4.713 4.120 -0.012 0.000 0.295 38 V C -0.348 175.675 176.094 -0.119 0.000 1.029 38 V CA -0.474 61.720 62.300 -0.176 0.000 0.874 38 V CB 1.409 33.094 31.823 -0.229 0.000 0.985 38 V HN 0.968 nan 8.190 nan 0.000 0.438 39 E N 3.400 123.549 120.200 -0.086 0.000 2.241 39 E HA 0.691 5.034 4.350 -0.012 0.000 0.263 39 E C 0.286 176.879 176.600 -0.013 0.000 0.882 39 E CA -0.108 56.265 56.400 -0.044 0.000 0.769 39 E CB 1.842 31.525 29.700 -0.029 0.000 1.185 39 E HN 0.637 nan 8.360 nan 0.000 0.415 40 A N 3.218 126.054 122.820 0.026 0.000 2.072 40 A HA 0.368 4.681 4.320 -0.012 0.000 0.216 40 A C 1.117 178.745 177.584 0.073 0.000 1.156 40 A CA 1.291 53.389 52.037 0.102 0.000 0.701 40 A CB -0.074 19.094 19.000 0.280 0.000 0.816 40 A HN 0.613 nan 8.150 nan 0.000 0.458 41 G N -1.125 107.702 108.800 0.044 0.000 3.392 41 G HA2 0.456 4.409 3.960 -0.012 0.000 0.185 41 G HA3 0.456 4.409 3.960 -0.012 0.000 0.185 41 G C -0.856 174.047 174.900 0.005 0.000 1.206 41 G CA -0.347 44.768 45.100 0.024 0.000 0.776 41 G HN 0.081 nan 8.290 nan 0.000 0.697 42 E N 0.637 120.836 120.200 -0.001 0.000 2.283 42 E HA 0.390 4.733 4.350 -0.012 0.000 0.278 42 E C -0.032 176.562 176.600 -0.010 0.000 1.027 42 E CA -0.338 56.054 56.400 -0.012 0.000 0.843 42 E CB 2.063 31.751 29.700 -0.020 0.000 1.062 42 E HN 0.087 nan 8.360 nan 0.000 0.401 43 V N 1.845 121.746 119.914 -0.022 0.000 2.740 43 V HA 0.274 4.387 4.120 -0.012 0.000 0.303 43 V C 1.499 177.580 176.094 -0.023 0.000 1.054 43 V CA 1.505 63.790 62.300 -0.025 0.000 1.106 43 V CB 0.750 32.542 31.823 -0.052 0.000 0.957 43 V HN 1.024 nan 8.190 nan 0.000 0.486 44 G N 2.586 111.395 108.800 0.015 0.000 2.213 44 G HA2 0.080 4.033 3.960 -0.012 0.000 0.226 44 G HA3 0.080 4.033 3.960 -0.012 0.000 0.226 44 G C 0.937 175.898 174.900 0.102 0.000 0.992 44 G CA 0.171 45.303 45.100 0.053 0.000 0.632 44 G HN 2.235 nan 8.290 nan 0.000 0.511 45 G N -1.223 107.615 108.800 0.064 0.000 2.601 45 G HA2 -0.065 3.887 3.960 -0.012 0.000 0.261 45 G HA3 -0.065 3.887 3.960 -0.012 0.000 0.261 45 G C 1.155 176.072 174.900 0.028 0.000 1.289 45 G CA 1.274 46.404 45.100 0.049 0.000 0.920 45 G HN 1.295 nan 8.290 nan 0.000 0.571 46 V N -0.045 119.882 119.914 0.021 0.000 2.261 46 V HA -0.240 3.873 4.120 -0.012 0.000 0.246 46 V C 3.158 179.257 176.094 0.007 0.000 1.047 46 V CA 2.888 65.192 62.300 0.008 0.000 1.015 46 V CB -1.113 30.714 31.823 0.007 0.000 0.642 46 V HN 1.082 nan 8.190 nan 0.000 0.446 47 c N -0.074 118.538 118.600 0.019 0.000 2.393 47 c HA -0.202 4.361 4.570 -0.012 0.000 0.276 47 c C 2.555 176.649 174.090 0.006 0.000 1.215 47 c CA 1.592 57.932 56.329 0.018 0.000 1.743 47 c CB -1.086 41.445 42.510 0.036 0.000 2.044 47 c HN 0.540 nan 8.230 nan 0.000 0.464 48 L N 1.095 122.331 121.223 0.021 0.000 2.179 48 L HA 0.029 4.362 4.340 -0.012 0.000 0.208 48 L C 2.382 179.229 176.870 -0.039 0.000 1.096 48 L CA 1.584 56.419 54.840 -0.008 0.000 0.779 48 L CB -0.766 41.295 42.059 0.004 0.000 0.922 48 L HN 0.443 nan 8.230 nan 0.000 0.443 49 N N -0.701 117.981 118.700 -0.029 0.000 2.349 49 N HA 0.040 4.773 4.740 -0.012 0.000 0.180 49 N C 1.182 176.663 175.510 -0.048 0.000 1.024 49 N CA 1.617 54.641 53.050 -0.043 0.000 0.869 49 N CB 0.668 39.135 38.487 -0.033 0.000 1.022 49 N HN 0.295 nan 8.380 nan 0.000 0.433 50 V N -3.102 116.790 119.914 -0.037 0.000 3.199 50 V HA 0.626 4.738 4.120 -0.012 0.000 0.331 50 V C 0.650 176.728 176.094 -0.026 0.000 1.446 50 V CA -0.079 62.198 62.300 -0.039 0.000 1.120 50 V CB 0.535 32.332 31.823 -0.043 0.000 1.051 50 V HN 0.138 nan 8.190 nan 0.000 0.495 51 G N -0.179 108.608 108.800 -0.022 0.000 3.054 51 G HA2 0.165 4.118 3.960 -0.012 0.000 0.201 51 G HA3 0.165 4.118 3.960 -0.012 0.000 0.201 51 G C 1.052 175.939 174.900 -0.022 0.000 1.694 51 G CA 0.745 45.839 45.100 -0.010 0.000 0.742 51 G HN 0.264 nan 8.290 nan 0.000 0.790 52 c N 1.068 119.654 118.600 -0.023 0.000 2.328 52 c HA -0.128 4.435 4.570 -0.012 0.000 0.276 52 c C 2.816 176.841 174.090 -0.108 0.000 1.173 52 c CA 0.816 57.108 56.329 -0.062 0.000 1.774 52 c CB -1.281 41.203 42.510 -0.043 0.000 2.009 52 c HN 0.422 nan 8.230 nan 0.000 0.436 53 I N 2.360 122.875 120.570 -0.092 0.000 2.099 53 I HA -0.130 4.033 4.170 -0.012 0.000 0.239 53 I C 0.169 176.204 176.117 -0.135 0.000 1.066 53 I CA 1.980 63.209 61.300 -0.120 0.000 1.324 53 I CB -2.973 34.962 38.000 -0.108 0.000 1.037 53 I HN 0.287 nan 8.210 nan 0.000 0.401 54 P HA -0.119 nan 4.420 nan 0.000 0.217 54 P C 1.657 178.918 177.300 -0.066 0.000 1.150 54 P CA 1.693 64.724 63.100 -0.115 0.000 0.832 54 P CB -0.271 31.376 31.700 -0.089 0.000 0.787 55 T N 0.159 114.688 114.554 -0.042 0.000 2.746 55 T HA -0.112 4.231 4.350 -0.012 0.000 0.267 55 T C 1.875 176.573 174.700 -0.002 0.000 1.039 55 T CA 1.645 63.745 62.100 -0.001 0.000 1.142 55 T CB -0.404 68.471 68.868 0.012 0.000 0.866 55 T HN 0.092 nan 8.240 nan 0.000 0.444 56 K N 1.375 121.732 120.400 -0.072 0.000 2.057 56 K HA 0.147 4.460 4.320 -0.012 0.000 0.207 56 K C 2.391 179.025 176.600 0.056 0.000 1.049 56 K CA 1.124 57.364 56.287 -0.078 0.000 0.931 56 K CB -0.661 31.706 32.500 -0.222 0.000 0.714 56 K HN 0.301 nan 8.250 nan 0.000 0.440 57 A N 0.649 123.476 122.820 0.012 0.000 1.902 57 A HA -0.153 4.160 4.320 -0.012 0.000 0.217 57 A C 2.119 179.915 177.584 0.353 0.000 1.181 57 A CA 1.437 53.540 52.037 0.111 0.000 0.623 57 A CB -0.723 18.047 19.000 -0.383 0.000 0.818 57 A HN 0.212 nan 8.150 nan 0.000 0.443 58 L N -0.808 120.525 121.223 0.183 0.000 2.017 58 L HA -0.193 4.140 4.340 -0.012 0.000 0.208 58 L C 2.610 179.576 176.870 0.161 0.000 1.073 58 L CA 1.189 56.133 54.840 0.174 0.000 0.745 58 L CB -0.661 41.450 42.059 0.087 0.000 0.894 58 L HN 0.368 nan 8.230 nan 0.000 0.432 59 L N -0.827 120.486 121.223 0.150 0.000 2.042 59 L HA -0.287 4.046 4.340 -0.012 0.000 0.210 59 L C 2.707 179.675 176.870 0.163 0.000 1.076 59 L CA 1.416 56.343 54.840 0.145 0.000 0.749 59 L CB -0.671 41.483 42.059 0.158 0.000 0.893 59 L HN 0.331 nan 8.230 nan 0.000 0.432 60 H N -0.219 118.941 119.070 0.150 0.000 2.389 60 H HA -0.099 4.450 4.556 -0.013 0.000 0.299 60 H C 2.083 177.468 175.328 0.094 0.000 1.081 60 H CA 1.404 57.536 56.048 0.141 0.000 1.345 60 H CB 0.088 29.971 29.762 0.203 0.000 1.393 60 H HN 0.280 nan 8.280 nan 0.000 0.520 61 A N 0.785 123.607 122.820 0.004 0.000 1.898 61 A HA -0.021 4.292 4.320 -0.012 0.000 0.216 61 A C 2.615 180.141 177.584 -0.097 0.000 1.181 61 A CA 1.630 53.593 52.037 -0.123 0.000 0.620 61 A CB -1.310 17.697 19.000 0.012 0.000 0.819 61 A HN 0.600 nan 8.150 nan 0.000 0.442 62 A N -0.167 122.645 122.820 -0.014 0.000 1.877 62 A HA -0.159 4.154 4.320 -0.012 0.000 0.216 62 A C 1.987 179.586 177.584 0.026 0.000 1.186 62 A CA 2.189 54.232 52.037 0.010 0.000 0.620 62 A CB -0.507 18.511 19.000 0.030 0.000 0.822 62 A HN 0.543 nan 8.150 nan 0.000 0.443 63 E N -0.079 120.123 120.200 0.003 0.000 2.077 63 E HA -0.124 4.219 4.350 -0.012 0.000 0.193 63 E C 1.962 178.577 176.600 0.025 0.000 0.989 63 E CA 2.104 58.528 56.400 0.039 0.000 0.800 63 E CB -0.726 28.992 29.700 0.030 0.000 0.746 63 E HN 0.506 nan 8.360 nan 0.000 0.452 64 T N 1.185 115.657 114.554 -0.137 0.000 2.720 64 T HA -0.162 4.181 4.350 -0.012 0.000 0.268 64 T C 1.691 176.382 174.700 -0.015 0.000 1.037 64 T CA 1.338 63.363 62.100 -0.124 0.000 1.144 64 T CB -0.415 68.284 68.868 -0.283 0.000 0.864 64 T HN 0.165 nan 8.240 nan 0.000 0.444 65 L N 0.845 122.056 121.223 -0.020 0.000 1.976 65 L HA -0.054 4.279 4.340 -0.012 0.000 0.209 65 L C 2.317 179.212 176.870 0.042 0.000 1.071 65 L CA 2.128 56.969 54.840 0.002 0.000 0.746 65 L CB -1.056 41.002 42.059 -0.000 0.000 0.890 65 L HN 0.347 nan 8.230 nan 0.000 0.432 66 H N -1.858 117.218 119.070 0.009 0.000 2.390 66 H HA -0.259 4.289 4.556 -0.013 0.000 0.298 66 H C 2.199 177.560 175.328 0.055 0.000 1.106 66 H CA 2.170 58.235 56.048 0.029 0.000 1.297 66 H CB -0.149 29.639 29.762 0.044 0.000 1.375 66 H HN 0.637 nan 8.280 nan 0.000 0.509 67 H N -0.183 118.884 119.070 -0.004 0.000 2.491 67 H HA -0.019 4.535 4.556 -0.003 0.000 0.290 67 H C 2.087 177.347 175.328 -0.112 0.000 1.050 67 H CA 1.173 57.202 56.048 -0.031 0.000 1.309 67 H CB -0.203 29.596 29.762 0.061 0.000 1.392 67 H HN 0.388 nan 8.280 nan 0.000 0.554 68 L N -0.075 121.075 121.223 -0.122 0.000 2.187 68 L HA -0.208 4.125 4.340 -0.012 0.000 0.213 68 L C 2.225 178.923 176.870 -0.287 0.000 1.100 68 L CA 1.389 56.116 54.840 -0.189 0.000 0.765 68 L CB -0.273 41.721 42.059 -0.108 0.000 0.904 68 L HN 0.319 nan 8.230 nan 0.000 0.437 69 K N -0.271 119.945 120.400 -0.307 0.000 1.985 69 K HA -0.144 4.168 4.320 -0.012 0.000 0.210 69 K C 2.007 178.401 176.600 -0.344 0.000 1.047 69 K CA 1.418 57.525 56.287 -0.300 0.000 0.932 69 K CB -0.442 31.857 32.500 -0.335 0.000 0.716 69 K HN 0.044 nan 8.250 nan 0.000 0.439 70 V N 1.686 121.357 119.914 -0.405 0.000 2.332 70 V HA -0.270 3.843 4.120 -0.012 0.000 0.248 70 V C 2.356 178.091 176.094 -0.598 0.000 1.055 70 V CA 2.020 64.079 62.300 -0.401 0.000 1.038 70 V CB -0.918 30.684 31.823 -0.368 0.000 0.651 70 V HN 0.406 nan 8.190 nan 0.000 0.450 71 A N -0.492 121.842 122.820 -0.809 0.000 2.084 71 A HA -0.267 4.045 4.320 -0.012 0.000 0.221 71 A C 2.143 179.018 177.584 -1.182 0.000 1.161 71 A CA 1.839 53.071 52.037 -1.342 0.000 0.653 71 A CB -0.518 18.056 19.000 -0.709 0.000 0.802 71 A HN 0.664 nan 8.150 nan 0.000 0.457 72 E N -0.777 119.051 120.200 -0.619 0.000 2.204 72 E HA -0.115 4.227 4.350 -0.012 0.000 0.195 72 E C 2.063 178.451 176.600 -0.353 0.000 0.990 72 E CA 0.574 56.738 56.400 -0.394 0.000 0.821 72 E CB -0.301 29.248 29.700 -0.252 0.000 0.750 72 E HN 0.660 nan 8.360 nan 0.000 0.477 73 G N 1.295 109.858 108.800 -0.396 0.000 2.432 73 G HA2 -0.228 3.725 3.960 -0.012 0.000 0.219 73 G HA3 -0.228 3.725 3.960 -0.012 0.000 0.219 73 G C 0.998 175.845 174.900 -0.089 0.000 1.135 73 G CA 0.546 45.524 45.100 -0.204 0.000 0.767 73 G HN 0.337 nan 8.290 nan 0.000 0.550 74 F N -0.977 118.944 119.950 -0.048 0.000 2.750 74 F HA 0.587 5.106 4.527 -0.013 0.000 0.297 74 F C 1.293 177.076 175.800 -0.027 0.000 1.138 74 F CA -1.512 56.469 58.000 -0.030 0.000 1.346 74 F CB -0.062 38.925 39.000 -0.022 0.000 0.965 74 F HN 0.133 nan 8.300 nan 0.000 0.514 75 G N 0.859 109.672 108.800 0.021 0.000 2.175 75 G HA2 -0.290 3.663 3.960 -0.012 0.000 0.244 75 G HA3 -0.290 3.663 3.960 -0.012 0.000 0.244 75 G C -0.337 174.562 174.900 -0.001 0.000 0.982 75 G CA -0.001 45.116 45.100 0.028 0.000 0.641 75 G HN 0.500 nan 8.290 nan 0.000 0.527 76 L N 1.604 122.778 121.223 -0.083 0.000 2.342 76 L HA 0.700 5.033 4.340 -0.012 0.000 0.285 76 L C 0.543 177.343 176.870 -0.116 0.000 1.095 76 L CA 0.335 55.137 54.840 -0.063 0.000 0.843 76 L CB -0.228 41.802 42.059 -0.048 0.000 1.201 76 L HN 0.544 nan 8.230 nan 0.000 0.445 77 K N 4.060 124.421 120.400 -0.065 0.000 2.185 77 K HA 0.951 5.264 4.320 -0.012 0.000 0.269 77 K C -0.491 176.078 176.600 -0.052 0.000 0.987 77 K CA 0.020 56.265 56.287 -0.069 0.000 0.865 77 K CB 1.360 33.830 32.500 -0.051 0.000 1.090 77 K HN 1.054 nan 8.250 nan 0.000 0.450 81 P HA 0.588 nan 4.420 nan 0.000 0.276 81 P C -0.356 176.926 177.300 -0.029 0.000 1.235 81 P CA 0.280 63.358 63.100 -0.035 0.000 0.772 81 P CB 1.361 33.036 31.700 -0.042 0.000 0.871 82 E N 2.783 122.966 120.200 -0.027 0.000 2.241 82 E HA 0.397 4.740 4.350 -0.012 0.000 0.263 82 E C -1.524 175.061 176.600 -0.025 0.000 0.882 82 E CA -0.852 55.535 56.400 -0.022 0.000 0.769 82 E CB 1.508 31.198 29.700 -0.017 0.000 1.185 82 E HN 0.505 nan 8.360 nan 0.000 0.415 83 L N 2.917 124.126 121.223 -0.022 0.000 2.272 83 L HA 0.313 4.646 4.340 -0.012 0.000 0.284 83 L C -0.262 176.598 176.870 -0.017 0.000 1.045 83 L CA -0.787 54.038 54.840 -0.026 0.000 0.842 83 L CB 1.391 43.434 42.059 -0.027 0.000 1.224 83 L HN 0.684 nan 8.230 nan 0.000 0.430 84 D N 4.608 124.999 120.400 -0.015 0.000 2.349 84 D HA -0.012 4.620 4.640 -0.012 0.000 0.266 84 D C 1.166 177.468 176.300 0.002 0.000 1.293 84 D CA 0.165 54.162 54.000 -0.005 0.000 0.926 84 D CB 0.774 41.572 40.800 -0.003 0.000 1.090 84 D HN 0.645 nan 8.370 nan 0.000 0.502 85 L N 3.489 124.714 121.223 0.002 0.000 2.275 85 L HA -0.157 4.175 4.340 -0.012 0.000 0.215 85 L C 2.275 179.155 176.870 0.016 0.000 1.119 85 L CA 0.696 55.539 54.840 0.004 0.000 0.790 85 L CB -0.272 41.784 42.059 -0.005 0.000 0.919 85 L HN 0.266 nan 8.230 nan 0.000 0.443 86 K N 0.911 121.321 120.400 0.017 0.000 2.062 86 K HA -0.169 4.144 4.320 -0.012 0.000 0.205 86 K C 2.060 178.681 176.600 0.036 0.000 1.051 86 K CA 1.313 57.612 56.287 0.021 0.000 0.941 86 K CB -0.008 32.502 32.500 0.016 0.000 0.719 86 K HN -0.137 nan 8.250 nan 0.000 0.440 87 K N 0.348 120.770 120.400 0.038 0.000 2.026 87 K HA -0.074 4.239 4.320 -0.012 0.000 0.208 87 K C 1.911 178.573 176.600 0.104 0.000 1.048 87 K CA 1.218 57.538 56.287 0.056 0.000 0.929 87 K CB -0.655 31.863 32.500 0.030 0.000 0.713 87 K HN 0.156 nan 8.250 nan 0.000 0.439 88 L N 0.291 121.570 121.223 0.093 0.000 1.990 88 L HA -0.077 4.256 4.340 -0.012 0.000 0.213 88 L C 2.094 179.079 176.870 0.193 0.000 1.072 88 L CA 2.570 57.508 54.840 0.163 0.000 0.755 88 L CB -1.321 40.797 42.059 0.099 0.000 0.889 88 L HN 0.315 nan 8.230 nan 0.000 0.432 89 G N -1.350 107.509 108.800 0.097 0.000 2.450 89 G HA2 -0.226 3.727 3.960 -0.012 0.000 0.220 89 G HA3 -0.226 3.727 3.960 -0.012 0.000 0.220 89 G C 1.484 176.419 174.900 0.059 0.000 1.130 89 G CA 0.685 45.818 45.100 0.056 0.000 0.760 89 G HN 0.649 nan 8.290 nan 0.000 0.557 90 G N -0.116 108.736 108.800 0.086 0.000 2.404 90 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.215 90 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.215 90 G C 1.561 176.532 174.900 0.119 0.000 1.174 90 G CA 0.924 46.073 45.100 0.081 0.000 0.780 90 G HN 0.475 nan 8.290 nan 0.000 0.537 91 W N 1.543 122.839 121.300 -0.006 0.000 2.358 91 W HA -0.045 4.604 4.660 -0.019 0.000 0.303 91 W C 2.658 179.174 176.519 -0.004 0.000 1.208 91 W CA 1.603 58.948 57.345 -0.001 0.000 1.274 91 W CB -0.273 29.192 29.460 0.008 0.000 1.138 91 W HN 0.116 nan 8.180 nan 0.000 0.515 92 R N 0.397 120.828 120.500 -0.115 0.000 2.083 92 R HA -0.205 4.128 4.340 -0.012 0.000 0.237 92 R C 1.818 177.952 176.300 -0.276 0.000 1.137 92 R CA 2.315 58.214 56.100 -0.335 0.000 0.951 92 R CB -0.820 29.412 30.300 -0.113 0.000 0.851 92 R HN 0.123 nan 8.270 nan 0.000 0.434 93 D N 0.298 120.614 120.400 -0.141 0.000 2.144 93 D HA -0.172 4.461 4.640 -0.012 0.000 0.199 93 D C 2.015 178.236 176.300 -0.132 0.000 0.984 93 D CA 1.154 55.086 54.000 -0.113 0.000 0.834 93 D CB -0.217 40.547 40.800 -0.059 0.000 0.955 93 D HN 0.433 nan 8.370 nan 0.000 0.465 94 Q N 0.222 119.940 119.800 -0.136 0.000 2.084 94 Q HA -0.097 4.235 4.340 -0.012 0.000 0.202 94 Q C 2.432 178.322 176.000 -0.184 0.000 0.978 94 Q CA 0.846 56.578 55.803 -0.117 0.000 0.844 94 Q CB 0.058 28.767 28.738 -0.049 0.000 0.898 94 Q HN 0.149 nan 8.270 nan 0.000 0.426 95 V N 0.115 119.823 119.914 -0.343 0.000 2.295 95 V HA -0.245 3.868 4.120 -0.012 0.000 0.246 95 V C 2.245 178.202 176.094 -0.228 0.000 1.049 95 V CA 1.496 63.586 62.300 -0.350 0.000 1.024 95 V CB -0.528 30.932 31.823 -0.605 0.000 0.648 95 V HN 0.190 nan 8.190 nan 0.000 0.447 96 V N 0.043 119.827 119.914 -0.216 0.000 2.287 96 V HA -0.320 3.793 4.120 -0.012 0.000 0.248 96 V C 2.455 178.481 176.094 -0.114 0.000 1.053 96 V CA 2.512 64.724 62.300 -0.148 0.000 1.027 96 V CB -0.690 31.055 31.823 -0.130 0.000 0.646 96 V HN 0.582 nan 8.190 nan 0.000 0.447 97 K N -0.024 120.312 120.400 -0.106 0.000 2.057 97 K HA -0.244 4.069 4.320 -0.012 0.000 0.207 97 K C 2.392 178.944 176.600 -0.079 0.000 1.049 97 K CA 1.473 57.711 56.287 -0.081 0.000 0.931 97 K CB -0.173 32.287 32.500 -0.067 0.000 0.714 97 K HN 0.175 nan 8.250 nan 0.000 0.440 98 K N 1.264 121.613 120.400 -0.086 0.000 2.057 98 K HA -0.117 4.195 4.320 -0.012 0.000 0.207 98 K C 2.088 178.639 176.600 -0.081 0.000 1.049 98 K CA 1.354 57.596 56.287 -0.075 0.000 0.931 98 K CB -0.283 32.174 32.500 -0.071 0.000 0.714 98 K HN 0.255 nan 8.250 nan 0.000 0.440 99 L N 0.563 121.730 121.223 -0.094 0.000 2.072 99 L HA -0.124 4.209 4.340 -0.012 0.000 0.205 99 L C 2.516 179.318 176.870 -0.114 0.000 1.079 99 L CA 1.704 56.487 54.840 -0.096 0.000 0.752 99 L CB -0.898 41.108 42.059 -0.088 0.000 0.906 99 L HN 0.271 nan 8.230 nan 0.000 0.436 100 T N -3.120 111.372 114.554 -0.104 0.000 2.904 100 T HA -0.066 4.276 4.350 -0.012 0.000 0.267 100 T C 1.931 176.564 174.700 -0.112 0.000 1.059 100 T CA 0.934 62.968 62.100 -0.111 0.000 1.137 100 T CB -0.714 68.105 68.868 -0.081 0.000 0.879 100 T HN 0.363 nan 8.240 nan 0.000 0.467 101 G N 1.204 109.949 108.800 -0.092 0.000 2.408 101 G HA2 0.123 4.076 3.960 -0.012 0.000 0.217 101 G HA3 0.123 4.076 3.960 -0.012 0.000 0.217 101 G C 1.678 176.521 174.900 -0.096 0.000 1.150 101 G CA 0.564 45.615 45.100 -0.081 0.000 0.776 101 G HN 0.635 nan 8.290 nan 0.000 0.542 102 G N 0.616 109.352 108.800 -0.107 0.000 2.446 102 G HA2 -0.176 3.777 3.960 -0.012 0.000 0.217 102 G HA3 -0.176 3.777 3.960 -0.012 0.000 0.217 102 G C 1.785 176.584 174.900 -0.168 0.000 1.168 102 G CA 1.273 46.303 45.100 -0.117 0.000 0.771 102 G HN 0.306 nan 8.290 nan 0.000 0.551 103 V N 1.632 121.400 119.914 -0.243 0.000 2.343 103 V HA -0.093 4.020 4.120 -0.012 0.000 0.247 103 V C 3.156 179.109 176.094 -0.235 0.000 1.051 103 V CA 2.045 64.120 62.300 -0.375 0.000 1.036 103 V CB -1.134 30.358 31.823 -0.552 0.000 0.654 103 V HN 0.448 nan 8.190 nan 0.000 0.451 104 G N -0.396 108.307 108.800 -0.162 0.000 2.446 104 G HA2 -0.265 3.688 3.960 -0.012 0.000 0.217 104 G HA3 -0.265 3.688 3.960 -0.012 0.000 0.217 104 G C 1.694 176.542 174.900 -0.088 0.000 1.168 104 G CA 1.617 46.653 45.100 -0.107 0.000 0.771 104 G HN 0.469 nan 8.290 nan 0.000 0.551 105 T N 1.326 115.828 114.554 -0.086 0.000 2.788 105 T HA -0.031 4.312 4.350 -0.012 0.000 0.268 105 T C 2.423 177.082 174.700 -0.068 0.000 1.044 105 T CA 0.910 62.971 62.100 -0.067 0.000 1.139 105 T CB -0.181 68.650 68.868 -0.061 0.000 0.867 105 T HN 0.152 nan 8.240 nan 0.000 0.454 106 L N 0.267 121.434 121.223 -0.093 0.000 2.046 106 L HA -0.037 4.296 4.340 -0.012 0.000 0.208 106 L C 2.496 179.327 176.870 -0.066 0.000 1.077 106 L CA 1.112 55.901 54.840 -0.085 0.000 0.747 106 L CB -0.573 41.414 42.059 -0.120 0.000 0.896 106 L HN 0.254 nan 8.230 nan 0.000 0.432 107 L N -0.227 120.952 121.223 -0.074 0.000 2.017 107 L HA -0.257 4.076 4.340 -0.012 0.000 0.208 107 L C 2.698 179.548 176.870 -0.034 0.000 1.073 107 L CA 1.457 56.269 54.840 -0.047 0.000 0.745 107 L CB -0.437 41.592 42.059 -0.050 0.000 0.894 107 L HN 0.243 nan 8.230 nan 0.000 0.432 108 K N 0.109 120.486 120.400 -0.037 0.000 2.025 108 K HA -0.123 4.190 4.320 -0.012 0.000 0.207 108 K C 2.004 178.592 176.600 -0.019 0.000 1.049 108 K CA 1.322 57.594 56.287 -0.024 0.000 0.933 108 K CB -0.342 32.143 32.500 -0.025 0.000 0.714 108 K HN 0.305 nan 8.250 nan 0.000 0.438 109 G N 0.503 109.288 108.800 -0.026 0.000 2.498 109 G HA2 -0.208 3.744 3.960 -0.012 0.000 0.219 109 G HA3 -0.208 3.744 3.960 -0.012 0.000 0.219 109 G C 1.143 176.032 174.900 -0.017 0.000 1.119 109 G CA 0.597 45.684 45.100 -0.022 0.000 0.766 109 G HN 0.324 nan 8.290 nan 0.000 0.552 110 N N 0.309 118.998 118.700 -0.018 0.000 2.280 110 N HA 0.079 4.812 4.740 -0.012 0.000 0.192 110 N C 1.584 177.092 175.510 -0.002 0.000 1.109 110 N CA 0.748 53.791 53.050 -0.012 0.000 0.855 110 N CB 0.527 39.004 38.487 -0.017 0.000 0.974 110 N HN 0.353 nan 8.380 nan 0.000 0.482 111 G N 0.785 109.586 108.800 0.001 0.000 2.136 111 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.242 111 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.242 111 G C -0.025 174.888 174.900 0.022 0.000 0.989 111 G CA -0.019 45.089 45.100 0.014 0.000 0.682 111 G HN 0.154 nan 8.290 nan 0.000 0.522 112 V N 0.689 120.607 119.914 0.006 0.000 2.498 112 V HA 0.420 4.533 4.120 -0.012 0.000 0.279 112 V C 0.765 176.854 176.094 -0.008 0.000 1.048 112 V CA -0.418 61.880 62.300 -0.003 0.000 0.967 112 V CB 1.799 33.610 31.823 -0.019 0.000 0.988 112 V HN 0.426 nan 8.190 nan 0.000 0.473 113 E N 3.629 123.821 120.200 -0.013 0.000 2.229 113 E HA 0.343 4.686 4.350 -0.012 0.000 0.283 113 E C -1.125 175.431 176.600 -0.073 0.000 1.030 113 E CA -0.739 55.654 56.400 -0.012 0.000 0.836 113 E CB 1.333 31.064 29.700 0.052 0.000 1.068 113 E HN 0.522 nan 8.360 nan 0.000 0.401 114 L N 6.406 127.599 121.223 -0.051 0.000 2.272 114 L HA 0.357 4.690 4.340 -0.012 0.000 0.289 114 L C -1.532 175.295 176.870 -0.071 0.000 1.032 114 L CA -0.573 54.225 54.840 -0.069 0.000 0.810 114 L CB 1.193 43.222 42.059 -0.050 0.000 1.205 114 L HN 0.512 nan 8.230 nan 0.000 0.422 115 L N 5.667 126.822 121.223 -0.114 0.000 2.325 115 L HA 0.610 4.943 4.340 -0.012 0.000 0.281 115 L C -0.758 176.054 176.870 -0.098 0.000 1.004 115 L CA -0.386 54.383 54.840 -0.118 0.000 0.823 115 L CB 0.971 42.890 42.059 -0.233 0.000 1.236 115 L HN 0.508 nan 8.230 nan 0.000 0.415 116 R N 4.209 124.678 120.500 -0.052 0.000 2.265 116 R HA 0.842 5.175 4.340 -0.012 0.000 0.314 116 R C 0.131 176.422 176.300 -0.014 0.000 1.053 116 R CA -0.090 55.993 56.100 -0.029 0.000 0.931 116 R CB 0.685 30.979 30.300 -0.010 0.000 1.024 116 R HN 0.958 nan 8.270 nan 0.000 0.457 117 G N 1.429 110.230 108.800 0.002 0.000 2.337 117 G HA2 0.122 4.075 3.960 -0.012 0.000 0.298 117 G HA3 0.122 4.075 3.960 -0.012 0.000 0.298 117 G C -2.011 172.939 174.900 0.084 0.000 1.335 117 G CA -0.956 44.172 45.100 0.047 0.000 0.875 117 G HN 0.308 nan 8.290 nan 0.000 0.579 118 F N 1.993 121.929 119.950 -0.024 0.000 2.361 118 F HA 0.719 5.238 4.527 -0.012 0.000 0.364 118 F C 0.658 176.447 175.800 -0.017 0.000 1.120 118 F CA -0.082 57.906 58.000 -0.020 0.000 1.102 118 F CB 0.975 39.970 39.000 -0.009 0.000 1.183 118 F HN 0.818 nan 8.300 nan 0.000 0.476 119 A N 6.929 129.482 122.820 -0.444 0.000 2.322 119 A HA 0.734 5.047 4.320 -0.012 0.000 0.269 119 A C -0.294 177.084 177.584 -0.342 0.000 1.094 119 A CA -0.529 51.326 52.037 -0.304 0.000 0.807 119 A CB 0.575 19.413 19.000 -0.270 0.000 1.047 119 A HN 0.858 nan 8.150 nan 0.000 0.487 120 R N 0.856 121.290 120.500 -0.109 0.000 2.564 120 R HA 0.372 4.705 4.340 -0.012 0.000 0.284 120 R C -1.737 174.560 176.300 -0.005 0.000 1.031 120 R CA -0.892 55.188 56.100 -0.033 0.000 0.904 120 R CB 1.620 31.964 30.300 0.073 0.000 1.199 120 R HN 0.595 nan 8.270 nan 0.000 0.443 121 L N 2.725 123.943 121.223 -0.008 0.000 2.416 121 L HA 0.095 4.427 4.340 -0.012 0.000 0.272 121 L C 0.812 177.698 176.870 0.026 0.000 1.161 121 L CA 0.629 55.473 54.840 0.008 0.000 0.845 121 L CB 1.506 43.566 42.059 0.002 0.000 1.119 121 L HN 0.534 nan 8.230 nan 0.000 0.464 122 V N 1.923 121.857 119.914 0.033 0.000 3.562 122 V HA 0.531 4.644 4.120 -0.012 0.000 0.270 122 V C 0.608 176.719 176.094 0.028 0.000 1.418 122 V CA 0.617 62.938 62.300 0.034 0.000 1.033 122 V CB 0.519 32.368 31.823 0.043 0.000 0.820 122 V HN 0.864 nan 8.190 nan 0.000 0.441 123 G N -0.496 108.320 108.800 0.027 0.000 2.576 123 G HA2 0.436 4.389 3.960 -0.012 0.000 0.290 123 G HA3 0.436 4.389 3.960 -0.012 0.000 0.290 123 G C -2.867 172.045 174.900 0.021 0.000 1.442 123 G CA -0.482 44.632 45.100 0.023 0.000 0.792 123 G HN -0.118 nan 8.290 nan 0.000 0.491 124 P HA 0.081 nan 4.420 nan 0.000 0.231 124 P C 0.645 177.959 177.300 0.024 0.000 1.158 124 P CA 1.122 64.229 63.100 0.011 0.000 0.763 124 P CB 0.141 31.842 31.700 0.001 0.000 0.805 125 K N -1.391 119.029 120.400 0.035 0.000 2.665 125 K HA 0.217 4.530 4.320 -0.012 0.000 0.194 125 K C -0.086 176.553 176.600 0.065 0.000 1.135 125 K CA -0.136 56.182 56.287 0.051 0.000 1.089 125 K CB 1.264 33.792 32.500 0.047 0.000 0.817 125 K HN 0.042 nan 8.250 nan 0.000 0.506 126 E N 0.935 121.172 120.200 0.061 0.000 2.366 126 E HA 0.423 4.766 4.350 -0.012 0.000 0.278 126 E C -1.581 175.065 176.600 0.077 0.000 0.923 126 E CA -0.836 55.611 56.400 0.079 0.000 0.761 126 E CB 2.191 31.929 29.700 0.062 0.000 1.231 126 E HN -0.118 nan 8.360 nan 0.000 0.443 127 V N 2.011 121.994 119.914 0.114 0.000 3.007 127 V HA 0.433 4.545 4.120 -0.012 0.000 0.311 127 V C -0.956 175.237 176.094 0.165 0.000 1.120 127 V CA -0.891 61.468 62.300 0.099 0.000 0.980 127 V CB 2.063 33.917 31.823 0.052 0.000 1.033 127 V HN 0.741 nan 8.190 nan 0.000 0.429 128 E N 1.402 121.676 120.200 0.123 0.000 2.158 128 E HA 0.754 5.097 4.350 -0.012 0.000 0.271 128 E C -1.259 175.429 176.600 0.147 0.000 0.911 128 E CA -0.208 56.286 56.400 0.156 0.000 0.767 128 E CB 1.827 31.591 29.700 0.107 0.000 1.120 128 E HN 0.476 nan 8.360 nan 0.000 0.405 135 G N -0.359 108.510 108.800 0.115 0.000 2.551 135 G HA2 -0.127 3.826 3.960 -0.012 0.000 0.186 135 G HA3 -0.127 3.826 3.960 -0.012 0.000 0.186 135 G C -0.037 174.907 174.900 0.073 0.000 1.002 135 G CA 0.085 45.234 45.100 0.082 0.000 0.723 135 G HN 0.357 nan 8.290 nan 0.000 0.481 136 E N 0.792 121.060 120.200 0.115 0.000 2.349 136 E HA 0.532 4.875 4.350 -0.012 0.000 0.265 136 E C -0.053 176.539 176.600 -0.013 0.000 1.064 136 E CA -0.349 56.058 56.400 0.012 0.000 0.886 136 E CB 0.922 30.628 29.700 0.010 0.000 1.036 136 E HN 0.121 nan 8.360 nan 0.000 0.413 137 R N 1.838 122.197 120.500 -0.234 0.000 2.338 137 R HA 0.374 4.707 4.340 -0.012 0.000 0.317 137 R C -0.958 175.143 176.300 -0.332 0.000 0.968 137 R CA -0.641 55.380 56.100 -0.132 0.000 0.849 137 R CB 0.540 30.799 30.300 -0.069 0.000 1.128 137 R HN 0.428 nan 8.270 nan 0.000 0.448 138 Y N -0.425 119.919 120.300 0.073 0.000 2.406 138 Y HA 0.607 5.150 4.550 -0.011 0.000 0.340 138 Y C 0.770 176.735 175.900 0.110 0.000 0.975 138 Y CA -0.920 57.255 58.100 0.125 0.000 1.056 138 Y CB 2.498 41.042 38.460 0.140 0.000 1.210 138 Y HN 0.696 nan 8.280 nan 0.000 0.448 139 G N 0.605 109.558 108.800 0.255 0.000 2.569 139 G HA2 0.889 4.842 3.960 -0.012 0.000 0.300 139 G HA3 0.889 4.842 3.960 -0.012 0.000 0.300 139 G C -1.582 173.441 174.900 0.204 0.000 1.269 139 G CA -0.790 44.416 45.100 0.177 0.000 0.959 139 G HN 0.906 nan 8.290 nan 0.000 0.478 140 A N 0.080 122.989 122.820 0.148 0.000 2.586 140 A HA 0.665 4.978 4.320 -0.012 0.000 0.291 140 A C 0.373 178.018 177.584 0.102 0.000 1.062 140 A CA -0.474 51.650 52.037 0.145 0.000 0.666 140 A CB 1.081 20.187 19.000 0.176 0.000 1.281 140 A HN 0.502 nan 8.150 nan 0.000 0.421 141 K N 0.413 120.869 120.400 0.094 0.000 2.097 141 K HA 0.119 4.432 4.320 -0.012 0.000 0.205 141 K C 0.478 177.136 176.600 0.096 0.000 1.050 141 K CA 1.986 58.322 56.287 0.081 0.000 0.938 141 K CB -0.045 32.500 32.500 0.074 0.000 0.718 141 K HN 0.507 nan 8.250 nan 0.000 0.442 142 S N -0.181 115.588 115.700 0.116 0.000 2.542 142 S HA 0.609 5.072 4.470 -0.012 0.000 0.293 142 S C -0.880 173.802 174.600 0.137 0.000 1.089 142 S CA -0.942 57.355 58.200 0.160 0.000 0.961 142 S CB 1.682 65.010 63.200 0.214 0.000 1.062 142 S HN 0.017 nan 8.310 nan 0.000 0.483 143 L N 2.618 123.939 121.223 0.163 0.000 2.385 143 L HA 0.618 4.951 4.340 -0.012 0.000 0.273 143 L C -1.142 175.826 176.870 0.163 0.000 0.990 143 L CA -0.568 54.339 54.840 0.112 0.000 0.821 143 L CB 1.549 43.647 42.059 0.065 0.000 1.279 143 L HN 0.515 nan 8.230 nan 0.000 0.412 144 I N 4.159 124.785 120.570 0.094 0.000 2.362 144 I HA 0.350 4.513 4.170 -0.012 0.000 0.289 144 I C -0.551 175.590 176.117 0.040 0.000 0.994 144 I CA -0.506 60.851 61.300 0.094 0.000 1.158 144 I CB 1.932 39.949 38.000 0.028 0.000 1.315 144 I HN 0.390 nan 8.210 nan 0.000 0.451 145 L N 6.685 127.938 121.223 0.050 0.000 2.255 145 L HA 0.522 4.855 4.340 -0.012 0.000 0.289 145 L C 0.486 177.362 176.870 0.010 0.000 1.046 145 L CA -0.181 54.666 54.840 0.013 0.000 0.816 145 L CB 1.135 43.204 42.059 0.016 0.000 1.197 145 L HN 0.711 nan 8.230 nan 0.000 0.427 146 A N 1.166 123.980 122.820 -0.011 0.000 3.105 146 A HA 0.268 4.580 4.320 -0.012 0.000 0.297 146 A C 1.080 178.656 177.584 -0.014 0.000 0.977 146 A CA -0.232 51.799 52.037 -0.009 0.000 1.020 146 A CB -0.175 18.815 19.000 -0.015 0.000 1.098 146 A HN 0.729 nan 8.150 nan 0.000 0.497 147 T N -2.926 111.620 114.554 -0.013 0.000 3.118 147 T HA 0.404 4.747 4.350 -0.012 0.000 0.260 147 T C 1.338 176.044 174.700 0.010 0.000 1.139 147 T CA 1.005 63.096 62.100 -0.014 0.000 1.085 147 T CB -0.361 68.492 68.868 -0.025 0.000 0.934 147 T HN 2.026 nan 8.240 nan 0.000 0.518 148 G N 1.424 110.235 108.800 0.018 0.000 2.645 148 G HA2 -0.040 3.913 3.960 -0.012 0.000 0.239 148 G HA3 -0.040 3.913 3.960 -0.012 0.000 0.239 148 G C -0.087 174.833 174.900 0.033 0.000 1.331 148 G CA 0.001 45.117 45.100 0.027 0.000 0.890 148 G HN 1.543 nan 8.290 nan 0.000 0.572 149 S N -0.829 114.889 115.700 0.031 0.000 2.740 149 S HA 0.874 5.337 4.470 -0.012 0.000 0.300 149 S C -0.581 174.026 174.600 0.012 0.000 1.147 149 S CA 0.388 58.601 58.200 0.023 0.000 0.871 149 S CB 2.463 65.692 63.200 0.048 0.000 1.173 149 S HN 1.756 nan 8.310 nan 0.000 0.510 150 E N -0.876 119.327 120.200 0.005 0.000 2.429 150 E HA 0.568 4.911 4.350 -0.012 0.000 0.276 150 E C -3.367 173.237 176.600 0.007 0.000 0.953 150 E CA -2.624 53.773 56.400 -0.005 0.000 0.787 150 E CB 1.014 30.708 29.700 -0.010 0.000 1.307 150 E HN 0.276 nan 8.360 nan 0.000 0.458 151 P HA -0.037 nan 4.420 nan 0.000 0.262 151 P C -0.773 176.620 177.300 0.156 0.000 1.182 151 P CA -0.171 62.949 63.100 0.033 0.000 0.761 151 P CB 0.236 31.845 31.700 -0.151 0.000 0.795 152 L N 3.529 124.866 121.223 0.189 0.000 2.305 152 L HA 0.245 4.578 4.340 -0.012 0.000 0.281 152 L C 0.408 177.431 176.870 0.255 0.000 1.085 152 L CA -0.174 54.770 54.840 0.172 0.000 0.813 152 L CB 0.253 42.367 42.059 0.093 0.000 1.157 152 L HN 0.312 nan 8.230 nan 0.000 0.436 153 E N 3.328 123.646 120.200 0.197 0.000 2.313 153 E HA 0.300 4.642 4.350 -0.012 0.000 0.276 153 E C -1.278 175.285 176.600 -0.062 0.000 1.031 153 E CA -0.712 55.696 56.400 0.014 0.000 0.857 153 E CB 1.107 30.834 29.700 0.046 0.000 1.040 153 E HN 0.566 nan 8.360 nan 0.000 0.408 154 L N 4.740 125.873 121.223 -0.149 0.000 2.275 154 L HA 0.275 4.608 4.340 -0.012 0.000 0.288 154 L C -0.331 176.558 176.870 0.031 0.000 1.046 154 L CA -0.208 54.615 54.840 -0.029 0.000 0.805 154 L CB 1.071 43.124 42.059 -0.010 0.000 1.193 154 L HN 0.451 nan 8.230 nan 0.000 0.426 155 K N 4.252 124.676 120.400 0.040 0.000 2.472 155 K HA 0.300 4.612 4.320 -0.012 0.000 0.280 155 K C 0.965 177.590 176.600 0.041 0.000 1.028 155 K CA 1.141 57.443 56.287 0.024 0.000 1.045 155 K CB -0.045 32.464 32.500 0.015 0.000 0.902 155 K HN 0.968 nan 8.250 nan 0.000 0.478 156 G N 3.804 112.565 108.800 -0.065 0.000 2.195 156 G HA2 -0.245 3.707 3.960 -0.012 0.000 0.246 156 G HA3 -0.245 3.707 3.960 -0.012 0.000 0.246 156 G C 0.022 174.609 174.900 -0.522 0.000 0.984 156 G CA 0.071 45.013 45.100 -0.264 0.000 0.633 156 G HN 0.593 nan 8.290 nan 0.000 0.525 157 F N 2.417 122.361 119.950 -0.009 0.000 2.576 157 F HA 0.354 4.874 4.527 -0.011 0.000 0.365 157 F C -1.934 173.741 175.800 -0.207 0.000 1.506 157 F CA -1.756 56.211 58.000 -0.056 0.000 1.113 157 F CB 1.483 40.393 39.000 -0.150 0.000 1.293 157 F HN -0.065 nan 8.300 nan 0.000 0.540 158 P HA -0.048 nan 4.420 nan 0.000 0.265 158 P C -0.104 177.162 177.300 -0.057 0.000 1.193 158 P CA 0.123 63.167 63.100 -0.093 0.000 0.765 158 P CB 0.652 32.352 31.700 0.000 0.000 0.823 159 F N 2.074 122.092 119.950 0.113 0.000 2.602 159 F HA 0.385 4.904 4.527 -0.012 0.000 0.367 159 F C 1.740 177.611 175.800 0.119 0.000 1.126 159 F CA 1.772 59.842 58.000 0.117 0.000 1.321 159 F CB -0.215 38.844 39.000 0.098 0.000 1.094 159 F HN 0.568 nan 8.300 nan 0.000 0.594 160 G N 1.830 110.839 108.800 0.349 0.000 2.494 160 G HA2 0.174 4.127 3.960 -0.012 0.000 0.308 160 G HA3 0.174 4.127 3.960 -0.012 0.000 0.308 160 G C 0.016 175.088 174.900 0.287 0.000 1.263 160 G CA -0.591 44.660 45.100 0.252 0.000 0.840 160 G HN 0.293 nan 8.290 nan 0.000 0.479 161 E N 0.074 120.411 120.200 0.230 0.000 2.204 161 E HA -0.074 4.269 4.350 -0.012 0.000 0.195 161 E C 0.933 177.722 176.600 0.316 0.000 0.990 161 E CA 1.296 57.856 56.400 0.268 0.000 0.821 161 E CB 0.177 29.986 29.700 0.183 0.000 0.750 161 E HN 0.471 nan 8.360 nan 0.000 0.477 162 D N -0.468 120.023 120.400 0.152 0.000 2.441 162 D HA 0.055 4.688 4.640 -0.012 0.000 0.210 162 D C -0.066 176.072 176.300 -0.270 0.000 1.102 162 D CA 0.121 54.076 54.000 -0.075 0.000 0.840 162 D CB 1.430 42.203 40.800 -0.046 0.000 0.990 162 D HN -0.100 nan 8.370 nan 0.000 0.505 163 V N 2.560 122.459 119.914 -0.025 0.000 2.326 163 V HA 0.217 4.330 4.120 -0.012 0.000 0.281 163 V C -0.617 175.702 176.094 0.374 0.000 1.015 163 V CA -0.853 61.453 62.300 0.009 0.000 0.823 163 V CB 1.264 33.113 31.823 0.043 0.000 1.009 163 V HN 0.002 nan 8.190 nan 0.000 0.436 164 W N 2.810 124.202 121.300 0.153 0.000 2.516 164 W HA 0.587 5.239 4.660 -0.013 0.000 0.343 164 W C 0.172 176.840 176.519 0.249 0.000 1.094 164 W CA -1.320 56.125 57.345 0.167 0.000 1.250 164 W CB 1.044 30.526 29.460 0.037 0.000 1.308 164 W HN 0.676 nan 8.180 nan 0.000 0.588 165 D N -1.296 119.245 120.400 0.236 0.000 2.440 165 D HA 0.206 4.839 4.640 -0.012 0.000 0.258 165 D C 1.166 177.490 176.300 0.040 0.000 1.092 165 D CA -0.453 53.542 54.000 -0.008 0.000 1.016 165 D CB 0.290 40.669 40.800 -0.702 0.000 1.141 165 D HN 0.205 nan 8.370 nan 0.000 0.552 166 S N -0.491 115.220 115.700 0.018 0.000 2.387 166 S HA -0.242 4.220 4.470 -0.012 0.000 0.230 166 S C 1.744 176.339 174.600 -0.008 0.000 1.035 166 S CA 1.791 60.011 58.200 0.033 0.000 1.014 166 S CB -1.316 61.901 63.200 0.029 0.000 0.836 166 S HN 0.608 nan 8.310 nan 0.000 0.466 167 T N 2.069 116.583 114.554 -0.067 0.000 2.720 167 T HA -0.083 4.260 4.350 -0.012 0.000 0.268 167 T C 1.940 176.567 174.700 -0.122 0.000 1.037 167 T CA 1.802 63.849 62.100 -0.089 0.000 1.144 167 T CB -0.358 68.441 68.868 -0.114 0.000 0.864 167 T HN 0.489 nan 8.240 nan 0.000 0.444 168 R N 1.747 122.146 120.500 -0.169 0.000 2.115 168 R HA 0.203 4.535 4.340 -0.012 0.000 0.226 168 R C 2.308 178.375 176.300 -0.388 0.000 1.100 168 R CA 1.486 57.386 56.100 -0.334 0.000 0.980 168 R CB -0.929 29.090 30.300 -0.468 0.000 0.875 168 R HN 0.312 nan 8.270 nan 0.000 0.445 169 A N 0.630 123.375 122.820 -0.125 0.000 2.019 169 A HA -0.075 4.237 4.320 -0.012 0.000 0.219 169 A C 2.141 179.814 177.584 0.148 0.000 1.164 169 A CA 1.349 53.440 52.037 0.090 0.000 0.644 169 A CB -0.583 18.550 19.000 0.223 0.000 0.805 169 A HN 0.379 nan 8.150 nan 0.000 0.449 170 L N -0.882 120.361 121.223 0.033 0.000 2.191 170 L HA -0.123 4.210 4.340 -0.012 0.000 0.212 170 L C 0.804 177.663 176.870 -0.019 0.000 1.103 170 L CA 0.974 55.829 54.840 0.024 0.000 0.769 170 L CB -0.314 41.734 42.059 -0.017 0.000 0.908 170 L HN 0.247 nan 8.230 nan 0.000 0.438 171 K N 0.779 121.129 120.400 -0.083 0.000 2.449 171 K HA 0.033 4.346 4.320 -0.012 0.000 0.237 171 K C 1.334 177.887 176.600 -0.079 0.000 1.265 171 K CA -0.243 55.984 56.287 -0.099 0.000 1.193 171 K CB 0.259 32.668 32.500 -0.152 0.000 1.515 171 K HN 0.132 nan 8.250 nan 0.000 0.259 172 V N -1.009 118.875 119.914 -0.050 0.000 2.913 172 V HA -0.164 3.949 4.120 -0.012 0.000 0.260 172 V C 1.191 177.267 176.094 -0.030 0.000 1.098 172 V CA 0.944 63.207 62.300 -0.063 0.000 1.121 172 V CB -0.597 31.135 31.823 -0.151 0.000 0.714 172 V HN 0.555 nan 8.190 nan 0.000 0.487 173 E N 2.439 122.624 120.200 -0.025 0.000 2.860 173 E HA 0.219 4.562 4.350 -0.012 0.000 0.318 173 E C 0.471 177.070 176.600 -0.003 0.000 1.481 173 E CA 0.479 56.874 56.400 -0.008 0.000 1.613 173 E CB -0.451 29.245 29.700 -0.005 0.000 1.279 173 E HN 0.587 nan 8.360 nan 0.000 0.489 174 G N 1.627 110.465 108.800 0.064 0.000 2.335 174 G HA2 0.478 4.431 3.960 -0.012 0.000 0.316 174 G HA3 0.478 4.431 3.960 -0.012 0.000 0.316 174 G C -0.494 174.522 174.900 0.195 0.000 1.129 174 G CA -0.760 44.407 45.100 0.110 0.000 0.899 174 G HN 0.328 nan 8.290 nan 0.000 0.448 175 L N 4.321 125.649 121.223 0.175 0.000 2.276 175 L HA 0.348 4.681 4.340 -0.012 0.000 0.286 175 L C -1.390 175.629 176.870 0.247 0.000 1.061 175 L CA -1.609 53.383 54.840 0.254 0.000 0.807 175 L CB 1.746 43.888 42.059 0.139 0.000 1.177 175 L HN 0.409 nan 8.230 nan 0.000 0.429 176 P HA 0.142 nan 4.420 nan 0.000 0.274 176 P C -0.325 177.043 177.300 0.114 0.000 1.237 176 P CA -0.480 62.709 63.100 0.149 0.000 0.793 176 P CB 1.291 33.009 31.700 0.031 0.000 0.977 177 K N 0.772 121.209 120.400 0.062 0.000 2.167 177 K HA 0.004 4.317 4.320 -0.012 0.000 0.203 177 K C 0.678 177.297 176.600 0.031 0.000 1.052 177 K CA 0.967 57.283 56.287 0.049 0.000 0.956 177 K CB 0.069 32.588 32.500 0.031 0.000 0.735 177 K HN 0.422 nan 8.250 nan 0.000 0.451 178 R N 0.635 121.133 120.500 -0.002 0.000 2.538 178 R HA 0.374 4.707 4.340 -0.012 0.000 0.292 178 R C -1.598 174.650 176.300 -0.086 0.000 1.008 178 R CA -0.685 55.396 56.100 -0.032 0.000 0.896 178 R CB 1.831 32.103 30.300 -0.047 0.000 1.187 178 R HN -0.101 nan 8.270 nan 0.000 0.440 179 L N 3.162 124.328 121.223 -0.094 0.000 2.362 179 L HA 0.603 4.936 4.340 -0.012 0.000 0.271 179 L C -1.775 174.995 176.870 -0.167 0.000 1.002 179 L CA -0.964 53.767 54.840 -0.182 0.000 0.818 179 L CB 1.973 43.902 42.059 -0.217 0.000 1.298 179 L HN 0.587 nan 8.230 nan 0.000 0.420 180 L N 5.335 126.428 121.223 -0.218 0.000 2.325 180 L HA 0.720 5.053 4.340 -0.012 0.000 0.281 180 L C -1.315 175.426 176.870 -0.215 0.000 1.004 180 L CA -0.293 54.432 54.840 -0.192 0.000 0.823 180 L CB 1.803 43.741 42.059 -0.202 0.000 1.236 180 L HN 0.416 nan 8.230 nan 0.000 0.415 181 V N 6.545 126.359 119.914 -0.165 0.000 2.435 181 V HA 0.471 4.584 4.120 -0.012 0.000 0.290 181 V C 0.100 176.103 176.094 -0.152 0.000 1.030 181 V CA -0.428 61.784 62.300 -0.146 0.000 0.881 181 V CB 1.574 33.343 31.823 -0.090 0.000 0.983 181 V HN 0.597 nan 8.190 nan 0.000 0.445 182 I N 4.337 124.802 120.570 -0.174 0.000 2.328 182 I HA 0.755 4.917 4.170 -0.012 0.000 0.287 182 I C 0.553 176.609 176.117 -0.102 0.000 1.012 182 I CA -0.128 61.063 61.300 -0.182 0.000 1.195 182 I CB 1.374 39.186 38.000 -0.314 0.000 1.350 182 I HN 0.874 nan 8.210 nan 0.000 0.464 183 G N 3.384 112.144 108.800 -0.067 0.000 2.957 183 G HA2 0.069 4.022 3.960 -0.012 0.000 0.636 183 G HA3 0.069 4.022 3.960 -0.012 0.000 0.636 183 G C 0.002 174.884 174.900 -0.030 0.000 1.401 183 G CA -0.482 44.596 45.100 -0.036 0.000 0.941 183 G HN 0.868 nan 8.290 nan 0.000 0.610 184 G N 0.337 109.120 108.800 -0.028 0.000 3.434 184 G HA2 0.608 4.560 3.960 -0.012 0.000 0.258 184 G HA3 0.608 4.560 3.960 -0.012 0.000 0.258 184 G C 0.981 175.846 174.900 -0.059 0.000 1.128 184 G CA 1.034 46.108 45.100 -0.043 0.000 0.792 184 G HN 1.262 nan 8.290 nan 0.000 0.539 185 G N -0.643 108.134 108.800 -0.039 0.000 2.553 185 G HA2 0.432 4.385 3.960 -0.012 0.000 0.278 185 G HA3 0.432 4.385 3.960 -0.012 0.000 0.278 185 G C 1.397 176.282 174.900 -0.024 0.000 1.349 185 G CA 0.284 45.360 45.100 -0.040 0.000 1.037 185 G HN 0.306 nan 8.290 nan 0.000 0.508 186 A N -1.321 121.499 122.820 0.000 0.000 1.908 186 A HA -0.036 4.277 4.320 -0.012 0.000 0.218 186 A C 2.558 180.184 177.584 0.070 0.000 1.181 186 A CA 2.154 54.219 52.037 0.047 0.000 0.627 186 A CB -0.746 18.314 19.000 0.099 0.000 0.818 186 A HN 0.504 nan 8.150 nan 0.000 0.445 187 V N -0.145 119.806 119.914 0.063 0.000 2.261 187 V HA -0.198 3.915 4.120 -0.012 0.000 0.246 187 V C 2.854 178.985 176.094 0.061 0.000 1.047 187 V CA 2.116 64.457 62.300 0.068 0.000 1.015 187 V CB -1.555 30.304 31.823 0.060 0.000 0.642 187 V HN 0.607 nan 8.190 nan 0.000 0.446 188 G N -0.351 108.471 108.800 0.037 0.000 2.418 188 G HA2 -0.202 3.751 3.960 -0.012 0.000 0.217 188 G HA3 -0.202 3.751 3.960 -0.012 0.000 0.217 188 G C 1.600 176.518 174.900 0.029 0.000 1.158 188 G CA 1.007 46.121 45.100 0.023 0.000 0.771 188 G HN 0.461 nan 8.290 nan 0.000 0.545 189 L N -0.084 121.154 121.223 0.025 0.000 2.017 189 L HA -0.050 4.283 4.340 -0.012 0.000 0.208 189 L C 2.879 179.788 176.870 0.064 0.000 1.073 189 L CA 1.366 56.223 54.840 0.028 0.000 0.745 189 L CB -0.434 41.630 42.059 0.008 0.000 0.894 189 L HN 0.261 nan 8.230 nan 0.000 0.432 190 E N 0.186 120.440 120.200 0.089 0.000 2.015 190 E HA -0.199 4.144 4.350 -0.012 0.000 0.191 190 E C 2.339 179.019 176.600 0.133 0.000 0.991 190 E CA 1.133 57.604 56.400 0.120 0.000 0.802 190 E CB -0.147 29.639 29.700 0.142 0.000 0.759 190 E HN 0.385 nan 8.360 nan 0.000 0.447 191 L N 0.212 121.519 121.223 0.141 0.000 2.131 191 L HA -0.096 4.237 4.340 -0.012 0.000 0.210 191 L C 2.487 179.509 176.870 0.253 0.000 1.092 191 L CA 0.997 55.965 54.840 0.214 0.000 0.759 191 L CB -0.531 41.640 42.059 0.186 0.000 0.903 191 L HN 0.259 nan 8.230 nan 0.000 0.435 192 G N -0.841 108.042 108.800 0.139 0.000 2.402 192 G HA2 -0.299 3.654 3.960 -0.012 0.000 0.216 192 G HA3 -0.299 3.654 3.960 -0.012 0.000 0.216 192 G C 1.514 176.497 174.900 0.138 0.000 1.162 192 G CA 0.553 45.720 45.100 0.112 0.000 0.777 192 G HN 0.380 nan 8.290 nan 0.000 0.539 193 Q N -0.162 119.703 119.800 0.109 0.000 2.172 193 Q HA -0.005 4.328 4.340 -0.012 0.000 0.200 193 Q C 2.570 178.626 176.000 0.092 0.000 0.964 193 Q CA 0.882 56.733 55.803 0.079 0.000 0.855 193 Q CB -0.044 28.723 28.738 0.048 0.000 0.918 193 Q HN 0.303 nan 8.270 nan 0.000 0.444 194 V N 0.194 120.185 119.914 0.129 0.000 2.261 194 V HA -0.271 3.842 4.120 -0.012 0.000 0.246 194 V C 1.721 177.843 176.094 0.046 0.000 1.047 194 V CA 1.899 64.249 62.300 0.083 0.000 1.015 194 V CB -0.713 31.164 31.823 0.090 0.000 0.642 194 V HN 0.451 nan 8.190 nan 0.000 0.446 195 Y N 0.153 120.492 120.300 0.065 0.000 2.181 195 Y HA -0.264 4.278 4.550 -0.013 0.000 0.288 195 Y C 2.737 178.668 175.900 0.051 0.000 1.146 195 Y CA 2.137 60.278 58.100 0.069 0.000 1.164 195 Y CB -0.261 38.247 38.460 0.080 0.000 0.982 195 Y HN 0.128 nan 8.280 nan 0.000 0.515 196 R N 1.061 121.667 120.500 0.176 0.000 2.081 196 R HA -0.109 4.224 4.340 -0.012 0.000 0.235 196 R C 1.979 178.324 176.300 0.075 0.000 1.131 196 R CA 1.625 57.789 56.100 0.106 0.000 0.960 196 R CB -0.389 29.956 30.300 0.076 0.000 0.856 196 R HN 0.204 nan 8.270 nan 0.000 0.436 197 R N -0.455 120.080 120.500 0.059 0.000 2.189 197 R HA -0.019 4.314 4.340 -0.012 0.000 0.223 197 R C 1.054 177.377 176.300 0.038 0.000 1.092 197 R CA 0.774 56.909 56.100 0.058 0.000 0.989 197 R CB -0.115 30.212 30.300 0.044 0.000 0.876 197 R HN 0.145 nan 8.270 nan 0.000 0.457 198 L N -0.903 120.325 121.223 0.007 0.000 2.592 198 L HA 0.219 4.551 4.340 -0.012 0.000 0.227 198 L C 1.357 178.232 176.870 0.008 0.000 1.127 198 L CA 0.998 55.826 54.840 -0.021 0.000 0.884 198 L CB 0.457 42.453 42.059 -0.105 0.000 1.065 198 L HN 0.414 nan 8.230 nan 0.000 0.457 199 G N -1.680 107.142 108.800 0.037 0.000 2.253 199 G HA2 -0.169 3.784 3.960 -0.012 0.000 0.209 199 G HA3 -0.169 3.784 3.960 -0.012 0.000 0.209 199 G C 0.562 175.501 174.900 0.064 0.000 0.997 199 G CA -0.120 45.007 45.100 0.045 0.000 0.640 199 G HN 0.571 nan 8.290 nan 0.000 0.496 200 A N 0.515 123.393 122.820 0.097 0.000 2.386 200 A HA 0.609 4.922 4.320 -0.012 0.000 0.248 200 A C 0.404 178.040 177.584 0.086 0.000 1.082 200 A CA 0.038 52.146 52.037 0.119 0.000 0.789 200 A CB 0.370 19.504 19.000 0.223 0.000 1.025 200 A HN 0.237 nan 8.150 nan 0.000 0.490 201 E N 0.372 120.605 120.200 0.055 0.000 2.313 201 E HA 0.458 4.800 4.350 -0.012 0.000 0.276 201 E C -0.798 175.815 176.600 0.022 0.000 1.031 201 E CA -0.090 56.328 56.400 0.030 0.000 0.857 201 E CB 1.452 31.158 29.700 0.010 0.000 1.040 201 E HN 0.313 nan 8.360 nan 0.000 0.408 202 V N 2.227 122.151 119.914 0.016 0.000 2.709 202 V HA 0.438 4.551 4.120 -0.012 0.000 0.308 202 V C -0.230 175.853 176.094 -0.019 0.000 1.062 202 V CA -0.757 61.542 62.300 -0.001 0.000 0.901 202 V CB 2.392 34.232 31.823 0.028 0.000 1.003 202 V HN 0.614 nan 8.190 nan 0.000 0.425 203 T N 5.282 119.810 114.554 -0.044 0.000 2.879 203 T HA 0.621 4.964 4.350 -0.012 0.000 0.290 203 T C -0.866 173.796 174.700 -0.063 0.000 0.993 203 T CA -0.266 61.805 62.100 -0.048 0.000 0.975 203 T CB 1.468 70.302 68.868 -0.056 0.000 0.981 203 T HN 0.575 nan 8.240 nan 0.000 0.439 204 L N 5.505 126.697 121.223 -0.051 0.000 2.346 204 L HA 0.779 5.112 4.340 -0.012 0.000 0.276 204 L C -0.929 175.908 176.870 -0.055 0.000 1.006 204 L CA -1.113 53.693 54.840 -0.058 0.000 0.817 204 L CB 0.975 43.010 42.059 -0.040 0.000 1.272 204 L HN 0.734 nan 8.230 nan 0.000 0.421 205 I N 1.229 121.759 120.570 -0.066 0.000 2.433 205 I HA 0.672 4.835 4.170 -0.012 0.000 0.292 205 I C -1.197 174.900 176.117 -0.033 0.000 1.001 205 I CA -0.502 60.767 61.300 -0.052 0.000 1.119 205 I CB 1.947 39.910 38.000 -0.062 0.000 1.289 205 I HN 0.608 nan 8.210 nan 0.000 0.438 206 E N 4.562 124.754 120.200 -0.013 0.000 2.224 206 E HA 0.225 4.568 4.350 -0.012 0.000 0.265 206 E C -0.498 176.136 176.600 0.055 0.000 0.878 206 E CA -0.679 55.731 56.400 0.017 0.000 0.759 206 E CB 1.401 31.098 29.700 -0.006 0.000 1.164 206 E HN 0.613 nan 8.360 nan 0.000 0.414 207 Y N 4.911 125.188 120.300 -0.037 0.000 2.181 207 Y HA -0.018 4.525 4.550 -0.013 0.000 0.288 207 Y C 0.574 176.461 175.900 -0.023 0.000 1.146 207 Y CA 1.288 59.373 58.100 -0.025 0.000 1.164 207 Y CB 0.294 38.743 38.460 -0.019 0.000 0.982 207 Y HN 0.462 nan 8.280 nan 0.000 0.515 208 M N 0.565 120.276 119.600 0.186 0.000 2.198 208 M HA 0.094 4.567 4.480 -0.012 0.000 0.315 208 M C -1.274 175.022 176.300 -0.006 0.000 1.134 208 M CA -2.341 53.015 55.300 0.093 0.000 1.171 208 M CB -0.564 32.089 32.600 0.088 0.000 1.413 208 M HN -0.084 nan 8.290 nan 0.000 0.467 209 P HA -0.107 nan 4.420 nan 0.000 0.219 209 P C -0.229 177.052 177.300 -0.031 0.000 1.146 209 P CA 1.414 64.494 63.100 -0.034 0.000 0.808 209 P CB 0.329 32.014 31.700 -0.025 0.000 0.779 210 E N -1.342 118.840 120.200 -0.029 0.000 2.413 210 E HA 0.347 4.690 4.350 -0.012 0.000 0.277 210 E C -0.539 176.028 176.600 -0.056 0.000 0.958 210 E CA -1.072 55.303 56.400 -0.041 0.000 0.779 210 E CB 0.856 30.530 29.700 -0.042 0.000 1.278 210 E HN -0.090 nan 8.360 nan 0.000 0.456 211 I N 0.324 120.849 120.570 -0.075 0.000 3.060 211 I HA 0.258 4.421 4.170 -0.012 0.000 0.285 211 I C 0.349 176.364 176.117 -0.169 0.000 1.190 211 I CA -0.671 60.566 61.300 -0.104 0.000 1.363 211 I CB 0.178 38.112 38.000 -0.111 0.000 1.396 211 I HN 0.698 nan 8.210 nan 0.000 0.607 212 L N 1.775 122.876 121.223 -0.204 0.000 3.762 212 L HA -0.156 4.176 4.340 -0.012 0.000 0.460 212 L C -1.307 175.444 176.870 -0.199 0.000 1.255 212 L CA -0.378 54.285 54.840 -0.295 0.000 0.783 212 L CB -1.553 40.130 42.059 -0.627 0.000 1.600 212 L HN 0.709 nan 8.230 nan 0.000 0.862 213 P HA -0.213 nan 4.420 nan 0.000 0.220 213 P C 1.187 178.467 177.300 -0.033 0.000 1.144 213 P CA 1.375 64.443 63.100 -0.052 0.000 0.800 213 P CB 0.290 31.980 31.700 -0.017 0.000 0.772 214 Q N -0.375 119.406 119.800 -0.032 0.000 2.424 214 Q HA 0.201 4.534 4.340 -0.012 0.000 0.204 214 Q C 1.354 177.398 176.000 0.073 0.000 0.933 214 Q CA 0.493 56.310 55.803 0.024 0.000 0.929 214 Q CB -0.387 28.377 28.738 0.044 0.000 1.037 214 Q HN 0.247 nan 8.270 nan 0.000 0.511 215 G N -0.570 108.246 108.800 0.026 0.000 2.613 215 G HA2 0.251 4.204 3.960 -0.012 0.000 0.303 215 G HA3 0.251 4.204 3.960 -0.012 0.000 0.303 215 G C -1.166 173.752 174.900 0.029 0.000 1.312 215 G CA -0.695 44.521 45.100 0.193 0.000 1.036 215 G HN 0.106 nan 8.290 nan 0.000 0.513 216 D N 0.246 120.603 120.400 -0.072 0.000 2.451 216 D HA 0.108 4.741 4.640 -0.012 0.000 0.254 216 D C -0.708 175.574 176.300 -0.030 0.000 1.204 216 D CA -1.227 52.572 54.000 -0.335 0.000 0.896 216 D CB 1.309 41.653 40.800 -0.760 0.000 1.136 216 D HN 0.001 nan 8.370 nan 0.000 0.499 217 P HA -0.170 nan 4.420 nan 0.000 0.220 217 P C 1.082 178.391 177.300 0.016 0.000 1.148 217 P CA 0.894 63.981 63.100 -0.021 0.000 0.803 217 P CB 0.294 31.974 31.700 -0.033 0.000 0.782 218 E N 0.540 120.749 120.200 0.014 0.000 2.031 218 E HA -0.152 4.191 4.350 -0.012 0.000 0.193 218 E C 1.931 178.589 176.600 0.097 0.000 0.994 218 E CA 2.425 58.849 56.400 0.040 0.000 0.800 218 E CB -0.396 29.320 29.700 0.027 0.000 0.752 218 E HN 0.253 nan 8.360 nan 0.000 0.447 219 T N -1.387 113.270 114.554 0.171 0.000 2.904 219 T HA 0.082 4.425 4.350 -0.012 0.000 0.267 219 T C 1.959 176.886 174.700 0.378 0.000 1.059 219 T CA 0.849 63.115 62.100 0.278 0.000 1.137 219 T CB -0.206 68.848 68.868 0.310 0.000 0.879 219 T HN 0.237 nan 8.240 nan 0.000 0.467 220 A N 2.045 125.054 122.820 0.315 0.000 1.902 220 A HA 0.346 4.659 4.320 -0.012 0.000 0.217 220 A C 2.821 180.425 177.584 0.033 0.000 1.181 220 A CA 1.717 53.782 52.037 0.046 0.000 0.623 220 A CB -1.407 17.518 19.000 -0.126 0.000 0.818 220 A HN 0.705 nan 8.150 nan 0.000 0.443 221 A N -0.380 122.466 122.820 0.042 0.000 1.978 221 A HA -0.049 4.263 4.320 -0.012 0.000 0.220 221 A C 2.125 179.734 177.584 0.043 0.000 1.170 221 A CA 1.462 53.514 52.037 0.025 0.000 0.636 221 A CB -0.547 18.465 19.000 0.020 0.000 0.810 221 A HN 0.487 nan 8.150 nan 0.000 0.448 222 L N -1.165 120.105 121.223 0.077 0.000 2.156 222 L HA -0.125 4.208 4.340 -0.012 0.000 0.208 222 L C 2.521 179.440 176.870 0.080 0.000 1.095 222 L CA 0.999 55.885 54.840 0.077 0.000 0.770 222 L CB -0.399 41.717 42.059 0.095 0.000 0.914 222 L HN 0.518 nan 8.230 nan 0.000 0.439 223 L N 0.189 121.474 121.223 0.102 0.000 2.044 223 L HA -0.161 4.172 4.340 -0.012 0.000 0.205 223 L C 2.696 179.588 176.870 0.037 0.000 1.075 223 L CA 1.593 56.485 54.840 0.086 0.000 0.747 223 L CB -0.635 41.484 42.059 0.100 0.000 0.903 223 L HN 0.104 nan 8.230 nan 0.000 0.435 224 R N -0.490 120.018 120.500 0.014 0.000 2.096 224 R HA -0.215 4.117 4.340 -0.012 0.000 0.240 224 R C 2.501 178.806 176.300 0.009 0.000 1.139 224 R CA 1.959 58.058 56.100 -0.001 0.000 0.952 224 R CB -0.282 30.009 30.300 -0.014 0.000 0.854 224 R HN 0.327 nan 8.270 nan 0.000 0.436 225 R N -0.371 120.139 120.500 0.017 0.000 2.096 225 R HA -0.066 4.267 4.340 -0.012 0.000 0.235 225 R C 2.292 178.606 176.300 0.023 0.000 1.127 225 R CA 1.449 57.560 56.100 0.018 0.000 0.968 225 R CB -0.236 30.077 30.300 0.021 0.000 0.861 225 R HN 0.359 nan 8.270 nan 0.000 0.440 226 A N 0.375 123.214 122.820 0.031 0.000 1.930 226 A HA -0.117 4.196 4.320 -0.012 0.000 0.217 226 A C 1.862 179.459 177.584 0.023 0.000 1.175 226 A CA 0.989 53.046 52.037 0.033 0.000 0.627 226 A CB -0.251 18.774 19.000 0.043 0.000 0.815 226 A HN 0.125 nan 8.150 nan 0.000 0.443 227 L N 0.063 121.296 121.223 0.017 0.000 2.093 227 L HA -0.097 4.236 4.340 -0.012 0.000 0.208 227 L C 2.288 179.164 176.870 0.011 0.000 1.085 227 L CA 1.895 56.740 54.840 0.009 0.000 0.755 227 L CB -0.945 41.118 42.059 0.007 0.000 0.904 227 L HN 0.491 nan 8.230 nan 0.000 0.435 228 E N -0.818 119.388 120.200 0.011 0.000 2.150 228 E HA -0.237 4.106 4.350 -0.012 0.000 0.193 228 E C 2.026 178.636 176.600 0.016 0.000 0.985 228 E CA 0.741 57.147 56.400 0.010 0.000 0.814 228 E CB -0.076 29.628 29.700 0.006 0.000 0.752 228 E HN 0.338 nan 8.360 nan 0.000 0.466 229 K N 1.136 121.549 120.400 0.022 0.000 2.283 229 K HA -0.142 4.171 4.320 -0.012 0.000 0.202 229 K C 1.317 177.940 176.600 0.039 0.000 1.048 229 K CA 0.911 57.216 56.287 0.029 0.000 0.948 229 K CB 0.185 32.706 32.500 0.035 0.000 0.742 229 K HN 0.082 nan 8.250 nan 0.000 0.458 230 E N -1.128 119.094 120.200 0.037 0.000 2.479 230 E HA 0.030 4.373 4.350 -0.012 0.000 0.193 230 E C 0.549 177.174 176.600 0.042 0.000 1.049 230 E CA 0.395 56.825 56.400 0.049 0.000 0.870 230 E CB 0.601 30.314 29.700 0.021 0.000 0.944 230 E HN 0.558 nan 8.360 nan 0.000 0.492 231 G N 1.542 110.360 108.800 0.029 0.000 2.179 231 G HA2 -0.243 3.710 3.960 -0.012 0.000 0.220 231 G HA3 -0.243 3.710 3.960 -0.012 0.000 0.220 231 G C 0.242 175.152 174.900 0.017 0.000 0.990 231 G CA -0.385 44.729 45.100 0.023 0.000 0.646 231 G HN 0.193 nan 8.290 nan 0.000 0.517 232 I N 1.295 121.874 120.570 0.015 0.000 2.396 232 I HA 0.321 4.483 4.170 -0.012 0.000 0.289 232 I C 0.911 177.028 176.117 0.000 0.000 1.056 232 I CA -0.741 60.565 61.300 0.010 0.000 1.365 232 I CB 0.937 38.944 38.000 0.011 0.000 1.407 232 I HN 0.050 nan 8.210 nan 0.000 0.509 233 R N 6.230 126.726 120.500 -0.007 0.000 2.242 233 R HA 0.327 4.660 4.340 -0.012 0.000 0.334 233 R C -1.304 174.985 176.300 -0.019 0.000 1.071 233 R CA -0.197 55.896 56.100 -0.013 0.000 0.922 233 R CB 0.419 30.709 30.300 -0.017 0.000 1.023 233 R HN 0.426 nan 8.270 nan 0.000 0.458 234 V N 6.882 126.785 119.914 -0.018 0.000 2.333 234 V HA 0.426 4.539 4.120 -0.012 0.000 0.274 234 V C 0.028 176.106 176.094 -0.026 0.000 1.028 234 V CA -0.761 61.525 62.300 -0.023 0.000 0.851 234 V CB 1.204 33.015 31.823 -0.021 0.000 1.000 234 V HN 0.583 nan 8.190 nan 0.000 0.456 235 R N 3.415 123.897 120.500 -0.031 0.000 2.280 235 R HA 0.365 4.698 4.340 -0.012 0.000 0.326 235 R C 0.444 176.723 176.300 -0.037 0.000 1.080 235 R CA -0.264 55.816 56.100 -0.033 0.000 1.002 235 R CB 0.972 31.252 30.300 -0.034 0.000 1.136 235 R HN 0.837 nan 8.270 nan 0.000 0.509 236 T N -1.326 113.205 114.554 -0.039 0.000 2.847 236 T HA 0.236 4.579 4.350 -0.012 0.000 0.279 236 T C 0.350 175.011 174.700 -0.066 0.000 0.984 236 T CA -0.837 61.237 62.100 -0.044 0.000 0.988 236 T CB 1.061 69.904 68.868 -0.040 0.000 1.040 236 T HN 0.580 nan 8.240 nan 0.000 0.528 237 K N -0.423 119.922 120.400 -0.091 0.000 3.016 237 K HA -0.149 4.164 4.320 -0.012 0.000 0.262 237 K C -0.356 176.133 176.600 -0.185 0.000 1.043 237 K CA 0.824 57.011 56.287 -0.166 0.000 0.761 237 K CB -2.387 30.037 32.500 -0.127 0.000 1.230 237 K HN 0.784 nan 8.250 nan 0.000 0.485 238 T N 0.389 114.864 114.554 -0.132 0.000 2.906 238 T HA 0.536 4.879 4.350 -0.012 0.000 0.295 238 T C -0.722 173.964 174.700 -0.022 0.000 1.061 238 T CA -1.052 60.996 62.100 -0.087 0.000 1.000 238 T CB 2.178 71.019 68.868 -0.047 0.000 1.103 238 T HN 0.312 nan 8.240 nan 0.000 0.486 239 K N -0.076 120.339 120.400 0.026 0.000 2.464 239 K HA 0.844 5.157 4.320 -0.012 0.000 0.253 239 K C -1.258 175.401 176.600 0.100 0.000 0.933 239 K CA -1.038 55.324 56.287 0.126 0.000 0.801 239 K CB 1.943 34.620 32.500 0.295 0.000 1.271 239 K HN 0.617 nan 8.250 nan 0.000 0.430 240 A N 2.697 125.571 122.820 0.091 0.000 2.320 240 A HA 0.402 4.715 4.320 -0.012 0.000 0.287 240 A C 0.479 178.272 177.584 0.347 0.000 1.181 240 A CA -0.799 51.334 52.037 0.161 0.000 0.831 240 A CB 0.607 19.557 19.000 -0.083 0.000 1.102 240 A HN 0.595 nan 8.150 nan 0.000 0.513 241 V N 2.432 122.530 119.914 0.306 0.000 2.825 241 V HA 0.403 4.516 4.120 -0.012 0.000 0.246 241 V C 1.375 177.545 176.094 0.126 0.000 1.068 241 V CA 1.431 63.858 62.300 0.212 0.000 1.088 241 V CB -0.674 31.214 31.823 0.109 0.000 0.733 241 V HN 1.285 nan 8.190 nan 0.000 0.468 242 G N -0.942 107.919 108.800 0.103 0.000 2.325 242 G HA2 0.481 4.434 3.960 -0.012 0.000 0.295 242 G HA3 0.481 4.434 3.960 -0.012 0.000 0.295 242 G C -1.774 173.102 174.900 -0.039 0.000 1.274 242 G CA 0.068 44.960 45.100 -0.346 0.000 0.857 242 G HN 0.400 nan 8.290 nan 0.000 0.499 243 Y N -1.348 118.760 120.300 -0.319 0.000 2.779 243 Y HA 0.776 5.320 4.550 -0.011 0.000 0.340 243 Y C -1.443 174.398 175.900 -0.098 0.000 1.252 243 Y CA -0.892 57.148 58.100 -0.099 0.000 1.072 243 Y CB 0.839 39.303 38.460 0.006 0.000 1.343 243 Y HN 1.017 nan 8.280 nan 0.000 0.450 244 E N 0.996 121.053 120.200 -0.237 0.000 2.321 244 E HA 0.361 4.703 4.350 -0.012 0.000 0.278 244 E C -1.885 174.696 176.600 -0.032 0.000 0.902 244 E CA -1.280 54.920 56.400 -0.334 0.000 0.758 244 E CB 2.745 32.313 29.700 -0.219 0.000 1.213 244 E HN 0.663 nan 8.360 nan 0.000 0.426 245 K N 3.106 123.484 120.400 -0.037 0.000 2.349 245 K HA 0.193 4.506 4.320 -0.012 0.000 0.288 245 K C -0.799 175.817 176.600 0.027 0.000 1.058 245 K CA -0.078 56.270 56.287 0.102 0.000 0.953 245 K CB 0.599 33.166 32.500 0.112 0.000 0.997 245 K HN 0.451 nan 8.250 nan 0.000 0.477 246 K N 2.752 123.189 120.400 0.063 0.000 2.346 246 K HA 0.156 4.468 4.320 -0.012 0.000 0.238 246 K C 0.563 177.198 176.600 0.058 0.000 1.039 246 K CA -0.916 55.369 56.287 -0.003 0.000 0.861 246 K CB 1.391 33.792 32.500 -0.164 0.000 1.278 246 K HN 0.373 nan 8.250 nan 0.000 0.460 247 K N 1.279 121.701 120.400 0.036 0.000 2.074 247 K HA -0.211 4.101 4.320 -0.012 0.000 0.209 247 K C 0.998 177.641 176.600 0.072 0.000 1.048 247 K CA 2.496 58.812 56.287 0.047 0.000 0.926 247 K CB -0.059 32.460 32.500 0.031 0.000 0.713 247 K HN 0.676 nan 8.250 nan 0.000 0.444 248 D N -1.193 119.274 120.400 0.112 0.000 2.340 248 D HA 0.092 4.725 4.640 -0.012 0.000 0.220 248 D C 0.842 177.200 176.300 0.097 0.000 1.039 248 D CA 0.751 54.813 54.000 0.104 0.000 0.866 248 D CB 0.590 41.459 40.800 0.115 0.000 0.913 248 D HN 0.423 nan 8.370 nan 0.000 0.523 249 G N -0.181 108.699 108.800 0.133 0.000 2.278 249 G HA2 0.088 4.040 3.960 -0.012 0.000 0.265 249 G HA3 0.088 4.040 3.960 -0.012 0.000 0.265 249 G C -1.709 173.310 174.900 0.198 0.000 1.329 249 G CA -0.710 44.452 45.100 0.104 0.000 1.017 249 G HN 0.149 nan 8.290 nan 0.000 0.472 250 L N 1.518 122.821 121.223 0.133 0.000 2.264 250 L HA 0.447 4.780 4.340 -0.012 0.000 0.289 250 L C -0.090 176.905 176.870 0.208 0.000 1.044 250 L CA -0.712 54.264 54.840 0.227 0.000 0.807 250 L CB 1.240 43.340 42.059 0.068 0.000 1.192 250 L HN 0.500 nan 8.230 nan 0.000 0.425 251 H N 3.577 122.736 119.070 0.147 0.000 2.690 251 H HA 0.291 4.839 4.556 -0.012 0.000 0.289 251 H C -0.600 174.827 175.328 0.165 0.000 1.089 251 H CA -0.642 55.469 56.048 0.106 0.000 1.299 251 H CB 1.552 31.351 29.762 0.061 0.000 1.405 251 H HN 0.280 nan 8.280 nan 0.000 0.463 252 V N 4.401 124.445 119.914 0.216 0.000 2.481 252 V HA 0.194 4.307 4.120 -0.012 0.000 0.286 252 V C 0.610 176.815 176.094 0.186 0.000 1.042 252 V CA -0.712 61.746 62.300 0.264 0.000 0.928 252 V CB 1.865 33.822 31.823 0.222 0.000 0.986 252 V HN 0.665 nan 8.190 nan 0.000 0.462 253 R N 4.256 124.874 120.500 0.198 0.000 2.254 253 R HA 0.649 4.982 4.340 -0.012 0.000 0.318 253 R C -1.381 174.998 176.300 0.131 0.000 1.031 253 R CA -0.465 55.713 56.100 0.130 0.000 0.905 253 R CB 0.649 31.006 30.300 0.094 0.000 1.050 253 R HN 0.699 nan 8.270 nan 0.000 0.456 254 L N 3.604 124.876 121.223 0.081 0.000 2.346 254 L HA 0.522 4.855 4.340 -0.012 0.000 0.274 254 L C 0.063 176.957 176.870 0.039 0.000 1.007 254 L CA -0.611 54.265 54.840 0.060 0.000 0.818 254 L CB 2.183 44.260 42.059 0.030 0.000 1.284 254 L HN 0.792 nan 8.230 nan 0.000 0.424 255 E N 0.395 120.615 120.200 0.033 0.000 3.877 255 E HA 0.053 4.396 4.350 -0.012 0.000 0.125 255 E C 0.237 176.826 176.600 -0.019 0.000 1.063 255 E CA -0.483 55.925 56.400 0.013 0.000 0.802 255 E CB 0.236 29.952 29.700 0.027 0.000 1.933 255 E HN 0.624 nan 8.360 nan 0.000 0.413 256 E N 1.200 121.293 120.200 -0.178 0.000 2.718 256 E HA -0.328 4.014 4.350 -0.012 0.000 0.279 256 E C 0.524 177.120 176.600 -0.007 0.000 1.292 256 E CA 2.020 58.391 56.400 -0.048 0.000 1.028 256 E CB -0.797 28.879 29.700 -0.040 0.000 0.825 256 E HN 0.618 nan 8.360 nan 0.000 0.392 257 G N -1.363 107.423 108.800 -0.024 0.000 2.392 257 G HA2 0.476 4.429 3.960 -0.012 0.000 0.677 257 G HA3 0.476 4.429 3.960 -0.012 0.000 0.677 257 G C 0.077 174.972 174.900 -0.010 0.000 1.334 257 G CA 0.366 45.465 45.100 -0.001 0.000 0.961 257 G HN 1.221 nan 8.290 nan 0.000 0.616 258 G N -0.900 107.899 108.800 -0.002 0.000 2.260 258 G HA2 0.457 4.410 3.960 -0.012 0.000 0.250 258 G HA3 0.457 4.410 3.960 -0.012 0.000 0.250 258 G C -0.542 174.357 174.900 -0.002 0.000 1.340 258 G CA 0.126 45.223 45.100 -0.005 0.000 1.056 258 G HN 1.283 nan 8.290 nan 0.000 0.471 259 E N 1.356 121.554 120.200 -0.004 0.000 2.905 259 E HA 0.259 4.602 4.350 -0.012 0.000 0.240 259 E C 1.218 177.819 176.600 0.003 0.000 0.990 259 E CA 0.982 57.381 56.400 -0.001 0.000 0.954 259 E CB -0.067 29.630 29.700 -0.004 0.000 0.908 259 E HN 0.999 nan 8.360 nan 0.000 0.532 260 G N 3.038 111.843 108.800 0.008 0.000 2.699 260 G HA2 0.148 4.101 3.960 -0.012 0.000 0.246 260 G HA3 0.148 4.101 3.960 -0.012 0.000 0.246 260 G C -0.046 174.863 174.900 0.016 0.000 1.219 260 G CA -0.177 44.933 45.100 0.015 0.000 0.866 260 G HN 0.516 nan 8.290 nan 0.000 0.572 261 E N -1.345 118.869 120.200 0.023 0.000 2.412 261 E HA 0.430 4.772 4.350 -0.012 0.000 0.279 261 E C -1.418 175.203 176.600 0.034 0.000 0.984 261 E CA -0.713 55.700 56.400 0.021 0.000 0.788 261 E CB 2.113 31.820 29.700 0.011 0.000 1.277 261 E HN 0.523 nan 8.360 nan 0.000 0.455 262 E N 2.157 122.374 120.200 0.028 0.000 2.293 262 E HA 0.565 4.907 4.350 -0.012 0.000 0.270 262 E C -2.065 174.536 176.600 0.002 0.000 0.879 262 E CA -0.853 55.568 56.400 0.036 0.000 0.756 262 E CB 2.355 32.091 29.700 0.060 0.000 1.208 262 E HN 0.225 nan 8.360 nan 0.000 0.428 263 V N 4.299 124.207 119.914 -0.011 0.000 2.760 263 V HA 0.510 4.623 4.120 -0.012 0.000 0.309 263 V C -1.487 174.545 176.094 -0.103 0.000 1.077 263 V CA -0.536 61.733 62.300 -0.052 0.000 0.910 263 V CB 2.084 33.883 31.823 -0.039 0.000 1.008 263 V HN 0.587 nan 8.190 nan 0.000 0.424 264 V N 7.026 126.842 119.914 -0.164 0.000 2.384 264 V HA 0.729 4.842 4.120 -0.012 0.000 0.287 264 V C -0.085 175.923 176.094 -0.142 0.000 1.020 264 V CA -0.133 62.023 62.300 -0.241 0.000 0.850 264 V CB 1.447 33.037 31.823 -0.388 0.000 0.987 264 V HN 0.957 nan 8.190 nan 0.000 0.436 265 V N 0.952 120.796 119.914 -0.117 0.000 3.160 265 V HA 0.667 4.779 4.120 -0.012 0.000 0.310 265 V C 0.106 176.138 176.094 -0.104 0.000 1.181 265 V CA -0.623 61.611 62.300 -0.110 0.000 1.047 265 V CB 2.475 34.216 31.823 -0.137 0.000 1.068 265 V HN 0.568 nan 8.190 nan 0.000 0.441 266 D N 0.076 120.406 120.400 -0.117 0.000 2.271 266 D HA 0.189 4.822 4.640 -0.012 0.000 0.206 266 D C 0.199 176.368 176.300 -0.217 0.000 0.967 266 D CA 0.937 54.870 54.000 -0.112 0.000 0.867 266 D CB 0.407 41.167 40.800 -0.067 0.000 0.960 266 D HN 0.470 nan 8.370 nan 0.000 0.509 267 K N 0.343 120.536 120.400 -0.345 0.000 2.532 267 K HA 0.496 4.808 4.320 -0.012 0.000 0.265 267 K C -1.011 175.251 176.600 -0.563 0.000 0.948 267 K CA -0.763 55.155 56.287 -0.614 0.000 0.842 267 K CB 3.192 35.029 32.500 -1.104 0.000 1.392 267 K HN -0.271 nan 8.250 nan 0.000 0.436 268 V N 2.172 121.728 119.914 -0.596 0.000 2.540 268 V HA 0.402 4.515 4.120 -0.012 0.000 0.302 268 V C -0.899 174.986 176.094 -0.348 0.000 1.035 268 V CA -1.010 61.032 62.300 -0.431 0.000 0.873 268 V CB 1.814 33.413 31.823 -0.374 0.000 0.992 268 V HN 0.586 nan 8.190 nan 0.000 0.428 269 L N 6.648 127.726 121.223 -0.242 0.000 2.305 269 L HA 0.669 5.002 4.340 -0.012 0.000 0.284 269 L C -0.478 176.362 176.870 -0.049 0.000 1.013 269 L CA -0.043 54.766 54.840 -0.052 0.000 0.819 269 L CB 1.688 43.722 42.059 -0.041 0.000 1.227 269 L HN 0.431 nan 8.230 nan 0.000 0.417 270 V N 5.511 125.471 119.914 0.076 0.000 2.348 270 V HA 0.701 4.814 4.120 -0.012 0.000 0.270 270 V C 0.579 176.751 176.094 0.130 0.000 1.037 270 V CA 0.049 62.368 62.300 0.032 0.000 0.872 270 V CB 0.781 32.589 31.823 -0.025 0.000 1.002 270 V HN 0.947 nan 8.190 nan 0.000 0.464 271 A N 4.435 127.281 122.820 0.044 0.000 3.258 271 A HA 0.553 4.866 4.320 -0.012 0.000 0.318 271 A C 0.406 178.008 177.584 0.030 0.000 0.990 271 A CA -0.068 52.004 52.037 0.060 0.000 0.885 271 A CB 0.841 19.867 19.000 0.042 0.000 1.090 271 A HN 1.058 nan 8.150 nan 0.000 0.479 272 V N -2.271 117.665 119.914 0.036 0.000 3.621 272 V HA 0.673 4.786 4.120 -0.012 0.000 0.285 272 V C 0.726 176.837 176.094 0.028 0.000 1.346 272 V CA 0.513 62.820 62.300 0.012 0.000 1.104 272 V CB -0.620 31.197 31.823 -0.010 0.000 0.913 272 V HN 1.612 nan 8.190 nan 0.000 0.432 273 G N 0.233 109.065 108.800 0.053 0.000 2.350 273 G HA2 0.328 4.281 3.960 -0.012 0.000 0.282 273 G HA3 0.328 4.281 3.960 -0.012 0.000 0.282 273 G C -1.489 173.455 174.900 0.073 0.000 1.314 273 G CA -0.836 44.299 45.100 0.059 0.000 0.915 273 G HN 0.334 nan 8.290 nan 0.000 0.499 274 R N -0.378 120.166 120.500 0.073 0.000 2.836 274 R HA 0.692 5.024 4.340 -0.012 0.000 0.269 274 R C -0.961 175.357 176.300 0.031 0.000 1.010 274 R CA -0.925 55.213 56.100 0.063 0.000 0.930 274 R CB 2.304 32.646 30.300 0.070 0.000 1.218 274 R HN 0.691 nan 8.270 nan 0.000 0.473 275 K N 2.530 122.926 120.400 -0.007 0.000 2.376 275 K HA 0.400 4.713 4.320 -0.012 0.000 0.257 275 K C -2.414 174.112 176.600 -0.124 0.000 0.939 275 K CA -1.899 54.335 56.287 -0.089 0.000 0.809 275 K CB 2.005 34.476 32.500 -0.048 0.000 1.121 275 K HN 0.218 nan 8.250 nan 0.000 0.425 276 P HA 0.060 nan 4.420 nan 0.000 0.271 276 P C -1.013 176.215 177.300 -0.119 0.000 1.226 276 P CA -0.087 62.884 63.100 -0.216 0.000 0.765 276 P CB 0.533 31.935 31.700 -0.496 0.000 0.835 277 R N 2.390 122.868 120.500 -0.038 0.000 3.247 277 R HA 0.131 4.464 4.340 -0.012 0.000 0.212 277 R C 0.879 177.184 176.300 0.008 0.000 1.604 277 R CA 0.159 56.261 56.100 0.002 0.000 1.279 277 R CB -0.650 29.672 30.300 0.038 0.000 1.277 277 R HN 0.551 nan 8.270 nan 0.000 0.669 278 T N -2.895 111.651 114.554 -0.012 0.000 3.040 278 T HA 0.145 4.488 4.350 -0.012 0.000 0.266 278 T C 0.393 175.104 174.700 0.018 0.000 1.005 278 T CA -0.389 61.710 62.100 -0.002 0.000 0.906 278 T CB 0.461 69.315 68.868 -0.024 0.000 1.082 278 T HN 0.293 nan 8.240 nan 0.000 0.531 279 E N 0.917 121.137 120.200 0.035 0.000 2.283 279 E HA 0.524 4.867 4.350 -0.012 0.000 0.271 279 E C 0.823 177.486 176.600 0.105 0.000 1.031 279 E CA -0.513 55.915 56.400 0.048 0.000 0.868 279 E CB 0.954 30.670 29.700 0.027 0.000 1.094 279 E HN 0.293 nan 8.360 nan 0.000 0.401 280 G N 1.597 110.455 108.800 0.097 0.000 2.225 280 G HA2 -0.269 3.683 3.960 -0.012 0.000 0.267 280 G HA3 -0.269 3.683 3.960 -0.012 0.000 0.267 280 G C 0.364 175.404 174.900 0.233 0.000 1.024 280 G CA 0.527 45.717 45.100 0.149 0.000 0.784 280 G HN 0.392 nan 8.290 nan 0.000 0.507 281 L N -0.206 121.092 121.223 0.124 0.000 2.640 281 L HA 0.536 4.869 4.340 -0.012 0.000 0.230 281 L C 1.997 178.882 176.870 0.025 0.000 1.123 281 L CA 1.415 56.282 54.840 0.044 0.000 0.900 281 L CB -0.037 42.020 42.059 -0.003 0.000 1.146 281 L HN 1.304 nan 8.230 nan 0.000 0.484 282 G N -0.567 108.261 108.800 0.048 0.000 2.143 282 G HA2 -0.317 3.635 3.960 -0.012 0.000 0.248 282 G HA3 -0.317 3.635 3.960 -0.012 0.000 0.248 282 G C 1.008 175.920 174.900 0.020 0.000 0.991 282 G CA 0.737 45.859 45.100 0.035 0.000 0.689 282 G HN 0.393 nan 8.290 nan 0.000 0.522 283 L N 0.582 121.814 121.223 0.016 0.000 1.988 283 L HA -0.013 4.320 4.340 -0.012 0.000 0.207 283 L C 2.601 179.477 176.870 0.011 0.000 1.071 283 L CA 1.638 56.483 54.840 0.010 0.000 0.744 283 L CB -0.450 41.614 42.059 0.008 0.000 0.893 283 L HN 0.488 nan 8.230 nan 0.000 0.433 284 E N 1.478 121.686 120.200 0.013 0.000 2.412 284 E HA -0.191 4.151 4.350 -0.012 0.000 0.207 284 E C 0.585 177.193 176.600 0.012 0.000 1.252 284 E CA 0.804 57.211 56.400 0.012 0.000 1.004 284 E CB -0.204 29.503 29.700 0.013 0.000 1.027 284 E HN 0.569 nan 8.360 nan 0.000 0.517 285 K N -0.941 119.466 120.400 0.012 0.000 2.603 285 K HA 0.280 4.592 4.320 -0.012 0.000 0.205 285 K C 1.602 178.208 176.600 0.011 0.000 1.500 285 K CA 0.537 56.832 56.287 0.013 0.000 1.059 285 K CB 0.394 32.905 32.500 0.018 0.000 1.416 285 K HN 0.082 nan 8.250 nan 0.000 0.562 286 A N 0.795 123.620 122.820 0.009 0.000 2.218 286 A HA 0.371 4.684 4.320 -0.012 0.000 0.209 286 A C 1.435 179.019 177.584 0.000 0.000 1.168 286 A CA 1.083 53.123 52.037 0.005 0.000 0.804 286 A CB -0.178 18.825 19.000 0.005 0.000 0.834 286 A HN 0.406 nan 8.150 nan 0.000 0.482 287 G N -1.643 107.157 108.800 0.000 0.000 2.213 287 G HA2 -0.208 3.745 3.960 -0.012 0.000 0.226 287 G HA3 -0.208 3.745 3.960 -0.012 0.000 0.226 287 G C 0.256 175.153 174.900 -0.006 0.000 0.992 287 G CA -0.062 45.036 45.100 -0.003 0.000 0.632 287 G HN 0.773 nan 8.290 nan 0.000 0.511 288 V N 2.685 122.595 119.914 -0.006 0.000 2.509 288 V HA 0.203 4.316 4.120 -0.012 0.000 0.297 288 V C 0.997 177.091 176.094 0.000 0.000 1.014 288 V CA 0.637 62.932 62.300 -0.008 0.000 1.127 288 V CB 0.754 32.573 31.823 -0.006 0.000 0.925 288 V HN 0.366 nan 8.190 nan 0.000 0.480 289 K N 3.824 124.225 120.400 0.001 0.000 2.144 289 K HA 0.678 4.990 4.320 -0.012 0.000 0.270 289 K C -0.395 176.216 176.600 0.018 0.000 1.005 289 K CA -0.511 55.781 56.287 0.008 0.000 0.932 289 K CB 1.840 34.344 32.500 0.007 0.000 1.021 289 K HN 0.639 nan 8.250 nan 0.000 0.462 290 V N -1.351 118.576 119.914 0.022 0.000 2.914 290 V HA 0.387 4.500 4.120 -0.012 0.000 0.314 290 V C -0.664 175.452 176.094 0.038 0.000 1.084 290 V CA -1.144 61.176 62.300 0.034 0.000 0.963 290 V CB 1.733 33.566 31.823 0.018 0.000 1.025 290 V HN 0.874 nan 8.190 nan 0.000 0.432 291 D N 1.784 122.222 120.400 0.064 0.000 2.478 291 D HA 0.220 4.853 4.640 -0.012 0.000 0.274 291 D C 1.192 177.518 176.300 0.043 0.000 1.234 291 D CA 0.128 54.166 54.000 0.064 0.000 1.069 291 D CB 0.357 41.219 40.800 0.103 0.000 1.113 291 D HN 0.701 nan 8.370 nan 0.000 0.571 292 E N 0.394 120.620 120.200 0.043 0.000 2.153 292 E HA -0.248 4.095 4.350 -0.012 0.000 0.194 292 E C 1.594 178.197 176.600 0.005 0.000 0.988 292 E CA 1.001 57.415 56.400 0.022 0.000 0.811 292 E CB -0.356 29.360 29.700 0.025 0.000 0.746 292 E HN 0.498 nan 8.360 nan 0.000 0.466 293 R N -0.022 120.498 120.500 0.034 0.000 2.276 293 R HA 0.077 4.410 4.340 -0.012 0.000 0.203 293 R C 1.283 177.430 176.300 -0.256 0.000 1.017 293 R CA 0.668 56.744 56.100 -0.040 0.000 1.010 293 R CB 0.070 30.459 30.300 0.148 0.000 0.900 293 R HN 0.480 nan 8.270 nan 0.000 0.469 294 G N -0.056 108.642 108.800 -0.170 0.000 2.179 294 G HA2 -0.251 3.702 3.960 -0.012 0.000 0.220 294 G HA3 -0.251 3.702 3.960 -0.012 0.000 0.220 294 G C 0.037 174.798 174.900 -0.232 0.000 0.990 294 G CA -0.604 44.366 45.100 -0.217 0.000 0.646 294 G HN 0.186 nan 8.290 nan 0.000 0.517 295 F N 1.231 121.179 119.950 -0.003 0.000 2.443 295 F HA 0.543 5.063 4.527 -0.012 0.000 0.353 295 F C 1.470 177.264 175.800 -0.009 0.000 1.101 295 F CA -0.734 57.260 58.000 -0.009 0.000 1.226 295 F CB 0.701 39.691 39.000 -0.016 0.000 1.140 295 F HN -0.043 nan 8.300 nan 0.000 0.557 296 I N 4.886 125.567 120.570 0.186 0.000 2.533 296 I HA 0.064 4.227 4.170 -0.012 0.000 0.284 296 I C 0.292 176.460 176.117 0.086 0.000 1.109 296 I CA -0.405 60.953 61.300 0.098 0.000 1.412 296 I CB 0.219 38.260 38.000 0.067 0.000 1.396 296 I HN 0.392 nan 8.210 nan 0.000 0.543 297 R N 6.581 127.115 120.500 0.057 0.000 2.421 297 R HA 0.310 4.643 4.340 -0.012 0.000 0.305 297 R C -0.399 175.909 176.300 0.014 0.000 1.039 297 R CA -0.150 55.970 56.100 0.033 0.000 1.003 297 R CB 0.333 30.647 30.300 0.024 0.000 0.959 297 R HN 0.571 nan 8.270 nan 0.000 0.427 298 V N -0.342 119.575 119.914 0.005 0.000 3.078 298 V HA 0.535 4.647 4.120 -0.012 0.000 0.311 298 V C -0.412 175.682 176.094 0.000 0.000 1.138 298 V CA -1.377 60.925 62.300 0.003 0.000 1.007 298 V CB 2.267 34.100 31.823 0.017 0.000 1.045 298 V HN 0.783 nan 8.190 nan 0.000 0.432 299 N N 1.971 120.679 118.700 0.013 0.000 2.593 299 N HA 0.645 5.378 4.740 -0.012 0.000 0.304 299 N C 0.985 176.518 175.510 0.039 0.000 1.296 299 N CA -0.147 52.914 53.050 0.019 0.000 0.950 299 N CB 0.647 39.146 38.487 0.021 0.000 1.127 299 N HN 1.025 nan 8.380 nan 0.000 0.587 300 A N -0.870 121.980 122.820 0.050 0.000 2.121 300 A HA -0.046 4.266 4.320 -0.012 0.000 0.218 300 A C 1.802 179.460 177.584 0.124 0.000 1.154 300 A CA 0.849 52.937 52.037 0.085 0.000 0.679 300 A CB -0.643 18.401 19.000 0.075 0.000 0.795 300 A HN 0.619 nan 8.150 nan 0.000 0.458 301 R N -1.655 118.914 120.500 0.115 0.000 2.317 301 R HA 0.163 4.495 4.340 -0.012 0.000 0.208 301 R C 0.035 176.464 176.300 0.214 0.000 0.914 301 R CA 0.233 56.426 56.100 0.156 0.000 1.060 301 R CB 0.105 30.497 30.300 0.153 0.000 1.015 301 R HN 0.342 nan 8.270 nan 0.000 0.498 302 M N -0.265 119.437 119.600 0.170 0.000 2.939 302 M HA -0.186 4.286 4.480 -0.012 0.000 0.202 302 M C -1.023 175.423 176.300 0.245 0.000 0.592 302 M CA 1.034 56.444 55.300 0.183 0.000 0.749 302 M CB -2.449 30.264 32.600 0.189 0.000 2.692 302 M HN 0.187 nan 8.290 nan 0.000 0.382 303 E N 1.018 121.299 120.200 0.134 0.000 2.283 303 E HA 0.442 4.784 4.350 -0.012 0.000 0.278 303 E C 1.095 177.644 176.600 -0.086 0.000 1.027 303 E CA 0.164 56.504 56.400 -0.101 0.000 0.843 303 E CB 1.108 30.724 29.700 -0.139 0.000 1.062 303 E HN 0.436 nan 8.360 nan 0.000 0.401 304 T N -1.075 113.396 114.554 -0.138 0.000 2.833 304 T HA 0.051 4.394 4.350 -0.012 0.000 0.292 304 T C 1.353 176.004 174.700 -0.081 0.000 1.031 304 T CA -0.190 61.866 62.100 -0.074 0.000 0.937 304 T CB 0.803 69.635 68.868 -0.059 0.000 1.256 304 T HN 0.410 nan 8.240 nan 0.000 0.551 305 S N -1.173 114.497 115.700 -0.051 0.000 2.603 305 S HA 0.124 4.587 4.470 -0.012 0.000 0.229 305 S C 0.456 175.024 174.600 -0.054 0.000 0.972 305 S CA -0.403 57.772 58.200 -0.043 0.000 0.935 305 S CB -0.530 62.656 63.200 -0.023 0.000 0.769 305 S HN 0.554 nan 8.310 nan 0.000 0.536 306 V N 3.444 123.313 119.914 -0.075 0.000 2.326 306 V HA 0.401 4.514 4.120 -0.012 0.000 0.281 306 V C -2.605 173.414 176.094 -0.125 0.000 1.015 306 V CA -2.262 59.992 62.300 -0.076 0.000 0.823 306 V CB 0.980 32.770 31.823 -0.056 0.000 1.009 306 V HN 0.105 nan 8.190 nan 0.000 0.436 307 P HA 0.158 nan 4.420 nan 0.000 0.261 307 P C 1.095 178.308 177.300 -0.145 0.000 1.173 307 P CA 1.633 64.650 63.100 -0.139 0.000 0.760 307 P CB 0.531 32.189 31.700 -0.070 0.000 0.783 308 G N 1.169 109.825 108.800 -0.240 0.000 2.217 308 G HA2 -0.200 3.753 3.960 -0.012 0.000 0.246 308 G HA3 -0.200 3.753 3.960 -0.012 0.000 0.246 308 G C -0.060 174.771 174.900 -0.115 0.000 0.990 308 G CA -0.117 44.923 45.100 -0.100 0.000 0.627 308 G HN 0.549 nan 8.290 nan 0.000 0.522 309 V N 1.557 121.310 119.914 -0.269 0.000 2.384 309 V HA 0.716 4.829 4.120 -0.012 0.000 0.287 309 V C -0.343 175.591 176.094 -0.267 0.000 1.020 309 V CA -0.907 61.315 62.300 -0.130 0.000 0.850 309 V CB 1.003 32.785 31.823 -0.069 0.000 0.987 309 V HN 0.269 nan 8.190 nan 0.000 0.436 310 Y N 2.310 122.614 120.300 0.007 0.000 2.549 310 Y HA 0.846 5.389 4.550 -0.012 0.000 0.339 310 Y C 0.332 176.234 175.900 0.002 0.000 1.053 310 Y CA -0.945 57.160 58.100 0.008 0.000 1.105 310 Y CB 2.077 40.544 38.460 0.012 0.000 1.258 310 Y HN 0.672 nan 8.280 nan 0.000 0.478 311 A N 2.710 125.629 122.820 0.165 0.000 2.422 311 A HA 0.877 5.190 4.320 -0.012 0.000 0.302 311 A C -1.068 176.558 177.584 0.070 0.000 1.041 311 A CA -0.622 51.469 52.037 0.090 0.000 0.708 311 A CB 0.889 19.926 19.000 0.061 0.000 1.257 311 A HN 0.772 nan 8.150 nan 0.000 0.414 312 I N -1.021 119.572 120.570 0.039 0.000 3.174 312 I HA 0.933 5.096 4.170 -0.012 0.000 0.313 312 I C 0.568 176.676 176.117 -0.014 0.000 1.155 312 I CA -0.357 60.946 61.300 0.005 0.000 0.977 312 I CB 1.832 39.832 38.000 -0.001 0.000 1.248 312 I HN 1.786 nan 8.210 nan 0.000 0.453 313 G N 2.471 111.241 108.800 -0.052 0.000 2.575 313 G HA2 -0.277 3.676 3.960 -0.012 0.000 0.267 313 G HA3 -0.277 3.676 3.960 -0.012 0.000 0.267 313 G C 0.112 174.999 174.900 -0.022 0.000 1.264 313 G CA 0.775 45.840 45.100 -0.057 0.000 0.935 313 G HN 0.868 nan 8.290 nan 0.000 0.568 314 D N 0.425 120.834 120.400 0.015 0.000 2.221 314 D HA 0.105 4.738 4.640 -0.012 0.000 0.204 314 D C 2.605 179.045 176.300 0.233 0.000 0.982 314 D CA 2.140 56.201 54.000 0.102 0.000 0.857 314 D CB -0.518 40.334 40.800 0.087 0.000 0.934 314 D HN 0.892 nan 8.370 nan 0.000 0.475 315 A N -0.014 122.896 122.820 0.150 0.000 2.123 315 A HA 0.285 4.598 4.320 -0.012 0.000 0.214 315 A C 2.117 179.858 177.584 0.262 0.000 1.152 315 A CA 1.305 53.450 52.037 0.180 0.000 0.728 315 A CB -0.068 18.978 19.000 0.077 0.000 0.814 315 A HN 0.217 nan 8.150 nan 0.000 0.464 316 A N -0.060 122.854 122.820 0.156 0.000 1.901 316 A HA 0.403 4.716 4.320 -0.012 0.000 0.210 316 A C 1.112 178.658 177.584 -0.063 0.000 1.208 316 A CA 1.014 53.096 52.037 0.074 0.000 0.644 316 A CB 0.089 19.084 19.000 -0.008 0.000 0.863 316 A HN 0.690 nan 8.150 nan 0.000 0.454 317 R N -2.608 117.719 120.500 -0.288 0.000 2.828 317 R HA 0.393 4.726 4.340 -0.012 0.000 0.280 317 R C -3.711 172.224 176.300 -0.609 0.000 1.020 317 R CA -1.394 54.286 56.100 -0.700 0.000 0.855 317 R CB 0.245 30.299 30.300 -0.410 0.000 1.278 317 R HN -0.076 nan 8.270 nan 0.000 0.495 318 P HA 0.325 nan 4.420 nan 0.000 0.278 318 P C -2.459 174.694 177.300 -0.246 0.000 1.266 318 P CA -1.346 61.550 63.100 -0.341 0.000 0.807 318 P CB 0.337 31.873 31.700 -0.272 0.000 1.094 319 P HA 0.150 nan 4.420 nan 0.000 0.275 319 P C -0.518 176.720 177.300 -0.104 0.000 1.228 319 P CA 0.019 63.061 63.100 -0.097 0.000 0.786 319 P CB 0.607 32.283 31.700 -0.040 0.000 0.927 320 L N 3.083 124.277 121.223 -0.048 0.000 2.391 320 L HA 0.258 4.591 4.340 -0.012 0.000 0.249 320 L C 0.291 177.135 176.870 -0.043 0.000 1.308 320 L CA 0.016 54.840 54.840 -0.025 0.000 1.209 320 L CB -1.041 41.041 42.059 0.038 0.000 1.401 320 L HN 0.208 nan 8.230 nan 0.000 0.416 321 L N -0.198 120.952 121.223 -0.121 0.000 2.341 321 L HA 0.583 4.915 4.340 -0.012 0.000 0.267 321 L C 1.170 177.890 176.870 -0.251 0.000 1.009 321 L CA -0.457 54.266 54.840 -0.195 0.000 0.819 321 L CB 1.883 43.719 42.059 -0.371 0.000 1.323 321 L HN 0.318 nan 8.230 nan 0.000 0.425 322 A N 0.696 123.412 122.820 -0.172 0.000 1.841 322 A HA -0.166 4.147 4.320 -0.012 0.000 0.214 322 A C 2.056 179.551 177.584 -0.148 0.000 1.195 322 A CA 1.578 53.553 52.037 -0.103 0.000 0.611 322 A CB -0.876 18.141 19.000 0.027 0.000 0.835 322 A HN 0.954 nan 8.150 nan 0.000 0.443 323 H N 0.090 119.134 119.070 -0.043 0.000 2.422 323 H HA -0.174 4.383 4.556 0.001 0.000 0.298 323 H C 1.841 177.147 175.328 -0.038 0.000 1.098 323 H CA 1.640 57.651 56.048 -0.062 0.000 1.315 323 H CB -0.652 29.103 29.762 -0.013 0.000 1.382 323 H HN 0.633 nan 8.280 nan 0.000 0.523 324 K N 1.647 121.881 120.400 -0.277 0.000 2.002 324 K HA -0.056 4.256 4.320 -0.012 0.000 0.209 324 K C 2.586 179.141 176.600 -0.075 0.000 1.048 324 K CA 1.286 57.520 56.287 -0.087 0.000 0.930 324 K CB -0.238 32.141 32.500 -0.202 0.000 0.714 324 K HN 0.216 nan 8.250 nan 0.000 0.438 325 A N 1.468 124.194 122.820 -0.156 0.000 1.908 325 A HA -0.201 4.112 4.320 -0.012 0.000 0.218 325 A C 2.197 179.672 177.584 -0.181 0.000 1.181 325 A CA 2.077 54.027 52.037 -0.146 0.000 0.627 325 A CB -0.587 18.324 19.000 -0.147 0.000 0.818 325 A HN 0.435 nan 8.150 nan 0.000 0.445 326 M N -1.590 117.830 119.600 -0.300 0.000 2.065 326 M HA -0.173 4.299 4.480 -0.012 0.000 0.259 326 M C 2.364 178.520 176.300 -0.239 0.000 1.069 326 M CA 2.111 57.072 55.300 -0.566 0.000 1.110 326 M CB -0.362 31.706 32.600 -0.886 0.000 1.328 326 M HN 0.379 nan 8.290 nan 0.000 0.405 327 R N 1.071 121.518 120.500 -0.089 0.000 2.096 327 R HA -0.121 4.212 4.340 -0.012 0.000 0.235 327 R C 1.651 178.021 176.300 0.118 0.000 1.127 327 R CA 1.798 57.906 56.100 0.013 0.000 0.968 327 R CB -0.506 29.811 30.300 0.028 0.000 0.861 327 R HN 0.468 nan 8.270 nan 0.000 0.440 328 E N -1.173 119.119 120.200 0.152 0.000 2.153 328 E HA -0.084 4.259 4.350 -0.012 0.000 0.194 328 E C 1.845 178.476 176.600 0.051 0.000 0.988 328 E CA 1.056 57.539 56.400 0.139 0.000 0.811 328 E CB -0.227 29.492 29.700 0.032 0.000 0.746 328 E HN 0.605 nan 8.360 nan 0.000 0.466 329 G N 1.529 110.331 108.800 0.003 0.000 2.418 329 G HA2 -0.220 3.733 3.960 -0.012 0.000 0.217 329 G HA3 -0.220 3.733 3.960 -0.012 0.000 0.217 329 G C 1.600 176.502 174.900 0.003 0.000 1.158 329 G CA 0.391 45.487 45.100 -0.007 0.000 0.771 329 G HN 0.077 nan 8.290 nan 0.000 0.545 330 L N 0.463 121.705 121.223 0.032 0.000 2.046 330 L HA -0.075 4.258 4.340 -0.012 0.000 0.208 330 L C 2.844 179.716 176.870 0.003 0.000 1.077 330 L CA 0.514 55.367 54.840 0.022 0.000 0.747 330 L CB -0.519 41.559 42.059 0.032 0.000 0.896 330 L HN 0.119 nan 8.230 nan 0.000 0.432 331 I N 0.620 121.212 120.570 0.037 0.000 2.142 331 I HA -0.261 3.902 4.170 -0.012 0.000 0.240 331 I C 2.921 179.010 176.117 -0.045 0.000 1.078 331 I CA 1.724 63.052 61.300 0.047 0.000 1.343 331 I CB -1.477 36.608 38.000 0.142 0.000 1.046 331 I HN 0.188 nan 8.210 nan 0.000 0.405 332 A N 0.951 123.717 122.820 -0.091 0.000 1.908 332 A HA -0.140 4.173 4.320 -0.012 0.000 0.218 332 A C 2.571 179.895 177.584 -0.432 0.000 1.181 332 A CA 2.225 54.069 52.037 -0.321 0.000 0.627 332 A CB -0.809 18.071 19.000 -0.201 0.000 0.818 332 A HN 0.445 nan 8.150 nan 0.000 0.445 333 A N -0.337 122.354 122.820 -0.215 0.000 1.898 333 A HA -0.143 4.169 4.320 -0.012 0.000 0.216 333 A C 1.906 179.406 177.584 -0.140 0.000 1.181 333 A CA 1.601 53.539 52.037 -0.166 0.000 0.620 333 A CB -0.523 18.427 19.000 -0.083 0.000 0.819 333 A HN 0.624 nan 8.150 nan 0.000 0.442 334 E N -0.029 120.111 120.200 -0.100 0.000 2.110 334 E HA -0.164 4.178 4.350 -0.012 0.000 0.193 334 E C 1.589 178.150 176.600 -0.066 0.000 0.988 334 E CA 1.130 57.495 56.400 -0.059 0.000 0.804 334 E CB -0.136 29.550 29.700 -0.024 0.000 0.745 334 E HN 0.531 nan 8.360 nan 0.000 0.458 335 N N 0.422 119.049 118.700 -0.122 0.000 2.300 335 N HA -0.049 4.684 4.740 -0.012 0.000 0.179 335 N C 1.574 177.044 175.510 -0.067 0.000 1.016 335 N CA 1.019 54.028 53.050 -0.069 0.000 0.876 335 N CB -0.139 38.340 38.487 -0.014 0.000 0.979 335 N HN 0.103 nan 8.380 nan 0.000 0.432 336 A N 0.760 123.429 122.820 -0.252 0.000 2.015 336 A HA 0.117 4.429 4.320 -0.012 0.000 0.219 336 A C 2.038 179.618 177.584 -0.006 0.000 1.163 336 A CA 1.442 53.421 52.037 -0.096 0.000 0.646 336 A CB -0.437 18.461 19.000 -0.170 0.000 0.806 336 A HN 0.262 nan 8.150 nan 0.000 0.448 337 A N -1.598 121.203 122.820 -0.032 0.000 2.252 337 A HA 0.410 4.723 4.320 -0.012 0.000 0.207 337 A C 1.701 179.293 177.584 0.015 0.000 1.194 337 A CA 1.130 53.164 52.037 -0.004 0.000 0.809 337 A CB -1.025 17.966 19.000 -0.015 0.000 0.814 337 A HN 1.830 nan 8.150 nan 0.000 0.482 338 G N -0.818 107.999 108.800 0.030 0.000 2.141 338 G HA2 -0.248 3.704 3.960 -0.012 0.000 0.242 338 G HA3 -0.248 3.704 3.960 -0.012 0.000 0.242 338 G C 0.418 175.338 174.900 0.033 0.000 0.982 338 G CA 0.684 45.808 45.100 0.040 0.000 0.662 338 G HN 0.575 nan 8.290 nan 0.000 0.527 339 K N -0.491 119.924 120.400 0.025 0.000 2.761 339 K HA 0.528 4.840 4.320 -0.012 0.000 0.286 339 K C -0.522 176.100 176.600 0.036 0.000 1.019 339 K CA -0.148 56.153 56.287 0.024 0.000 1.070 339 K CB 0.388 32.895 32.500 0.013 0.000 1.387 339 K HN 0.066 nan 8.250 nan 0.000 0.509 340 D N 0.203 120.624 120.400 0.034 0.000 2.517 340 D HA 0.189 4.821 4.640 -0.012 0.000 0.263 340 D C -1.579 174.746 176.300 0.042 0.000 1.233 340 D CA -0.043 53.983 54.000 0.043 0.000 0.849 340 D CB 0.586 41.408 40.800 0.035 0.000 1.261 340 D HN 0.243 nan 8.370 nan 0.000 0.516 341 S N 0.734 116.465 115.700 0.051 0.000 2.593 341 S HA 0.968 5.431 4.470 -0.012 0.000 0.297 341 S C -0.618 174.030 174.600 0.080 0.000 1.112 341 S CA -0.647 57.589 58.200 0.060 0.000 1.043 341 S CB 1.772 65.008 63.200 0.061 0.000 1.054 341 S HN 0.520 nan 8.310 nan 0.000 0.516 342 A N 1.420 124.287 122.820 0.077 0.000 2.549 342 A HA 0.728 5.041 4.320 -0.012 0.000 0.297 342 A C -1.563 176.078 177.584 0.094 0.000 1.061 342 A CA -0.627 51.465 52.037 0.092 0.000 0.690 342 A CB 0.825 19.852 19.000 0.044 0.000 1.287 342 A HN 0.663 nan 8.150 nan 0.000 0.402 343 F N 2.828 122.794 119.950 0.027 0.000 2.421 343 F HA 0.481 5.000 4.527 -0.014 0.000 0.358 343 F C 0.050 175.771 175.800 -0.132 0.000 1.115 343 F CA -0.362 57.662 58.000 0.041 0.000 1.160 343 F CB 1.136 40.197 39.000 0.102 0.000 1.123 343 F HN 0.576 nan 8.300 nan 0.000 0.508 344 D N 3.261 123.353 120.400 -0.512 0.000 2.822 344 D HA 0.079 4.711 4.640 -0.012 0.000 0.327 344 D C -0.975 175.007 176.300 -0.531 0.000 1.577 344 D CA -0.147 53.648 54.000 -0.341 0.000 0.785 344 D CB -1.123 39.473 40.800 -0.339 0.000 1.199 344 D HN 0.298 nan 8.370 nan 0.000 0.443 348 V N 4.143 124.183 119.914 0.209 0.000 2.334 348 V HA 0.433 4.546 4.120 -0.012 0.000 0.281 348 V C -1.769 174.443 176.094 0.198 0.000 1.016 348 V CA -1.134 61.315 62.300 0.248 0.000 0.832 348 V CB 1.261 33.240 31.823 0.260 0.000 0.999 348 V HN 0.533 nan 8.190 nan 0.000 0.439 349 P HA 0.438 nan 4.420 nan 0.000 0.276 349 P C -0.688 176.756 177.300 0.240 0.000 1.261 349 P CA -0.316 62.841 63.100 0.095 0.000 0.800 349 P CB 1.504 33.178 31.700 -0.043 0.000 1.066 350 S N -0.737 115.083 115.700 0.199 0.000 2.540 350 S HA 0.652 5.115 4.470 -0.012 0.000 0.275 350 S C -0.794 173.965 174.600 0.265 0.000 1.123 350 S CA -0.661 57.718 58.200 0.299 0.000 0.907 350 S CB 1.142 64.547 63.200 0.342 0.000 1.081 350 S HN 0.229 nan 8.310 nan 0.000 0.476 351 V N 1.664 121.711 119.914 0.222 0.000 2.962 351 V HA 0.714 4.827 4.120 -0.012 0.000 0.313 351 V C -0.857 175.302 176.094 0.108 0.000 1.099 351 V CA -0.773 61.573 62.300 0.077 0.000 0.971 351 V CB 2.096 33.760 31.823 -0.265 0.000 1.028 351 V HN 0.867 nan 8.190 nan 0.000 0.430 352 V N 3.013 122.975 119.914 0.080 0.000 2.444 352 V HA 0.335 4.448 4.120 -0.012 0.000 0.294 352 V C -0.682 175.412 176.094 0.001 0.000 1.022 352 V CA -0.430 61.946 62.300 0.127 0.000 0.850 352 V CB 1.500 33.414 31.823 0.152 0.000 0.992 352 V HN 0.856 nan 8.190 nan 0.000 0.426 353 Y N 2.422 122.799 120.300 0.127 0.000 2.547 353 Y HA 0.097 4.636 4.550 -0.019 0.000 0.325 353 Y C 1.803 177.761 175.900 0.097 0.000 1.165 353 Y CA -0.321 57.844 58.100 0.109 0.000 1.300 353 Y CB -0.608 37.910 38.460 0.097 0.000 1.126 353 Y HN 0.752 nan 8.280 nan 0.000 0.513 354 T N -2.937 111.720 114.554 0.173 0.000 2.689 354 T HA 0.309 4.652 4.350 -0.012 0.000 0.308 354 T C 0.346 175.105 174.700 0.099 0.000 1.021 354 T CA -0.796 61.377 62.100 0.123 0.000 0.973 354 T CB 1.013 69.936 68.868 0.092 0.000 1.113 354 T HN 0.070 nan 8.240 nan 0.000 0.522 355 S N 2.827 118.562 115.700 0.058 0.000 2.733 355 S HA 0.447 4.909 4.470 -0.012 0.000 0.307 355 S C -2.457 172.158 174.600 0.025 0.000 1.127 355 S CA -0.985 57.240 58.200 0.042 0.000 1.097 355 S CB 1.190 64.399 63.200 0.016 0.000 1.003 355 S HN 0.673 nan 8.310 nan 0.000 0.477 356 P HA 0.214 nan 4.420 nan 0.000 0.274 356 P C -0.416 176.937 177.300 0.089 0.000 1.231 356 P CA -0.364 62.778 63.100 0.071 0.000 0.790 356 P CB 0.829 32.575 31.700 0.077 0.000 0.951 357 E N 0.389 120.633 120.200 0.073 0.000 2.374 357 E HA 0.227 4.569 4.350 -0.012 0.000 0.260 357 E C -0.983 175.697 176.600 0.132 0.000 1.101 357 E CA -0.117 56.321 56.400 0.063 0.000 0.907 357 E CB 0.675 30.358 29.700 -0.029 0.000 1.014 357 E HN 0.470 nan 8.360 nan 0.000 0.427 358 W N 0.642 121.905 121.300 -0.061 0.000 2.819 358 W HA 0.587 5.247 4.660 -0.001 0.000 0.337 358 W C -1.592 174.897 176.519 -0.050 0.000 1.077 358 W CA -0.350 56.984 57.345 -0.019 0.000 1.226 358 W CB 1.451 30.920 29.460 0.015 0.000 1.419 358 W HN 0.504 nan 8.180 nan 0.000 0.502 359 A N 3.236 125.682 122.820 -0.624 0.000 2.574 359 A HA 0.907 5.220 4.320 -0.012 0.000 0.297 359 A C -0.913 176.013 177.584 -1.097 0.000 1.062 359 A CA -0.319 51.372 52.037 -0.577 0.000 0.686 359 A CB 1.371 20.169 19.000 -0.338 0.000 1.285 359 A HN 1.302 nan 8.150 nan 0.000 0.403 360 G N -0.946 107.422 108.800 -0.720 0.000 2.720 360 G HA2 0.729 4.682 3.960 -0.012 0.000 0.295 360 G HA3 0.729 4.682 3.960 -0.012 0.000 0.295 360 G C -1.892 172.779 174.900 -0.381 0.000 1.437 360 G CA -0.068 44.609 45.100 -0.704 0.000 0.886 360 G HN 1.946 nan 8.290 nan 0.000 0.509 361 V N 0.439 120.013 119.914 -0.565 0.000 3.000 361 V HA 0.854 4.966 4.120 -0.012 0.000 0.300 361 V C 0.513 176.440 176.094 -0.277 0.000 1.251 361 V CA 1.409 63.553 62.300 -0.261 0.000 0.972 361 V CB 1.470 33.176 31.823 -0.195 0.000 1.065 361 V HN 2.866 nan 8.190 nan 0.000 0.431 362 G N 4.630 113.390 108.800 -0.066 0.000 2.545 362 G HA2 -0.103 3.849 3.960 -0.012 0.000 0.216 362 G HA3 -0.103 3.849 3.960 -0.012 0.000 0.216 362 G C -0.895 174.083 174.900 0.129 0.000 1.314 362 G CA -0.252 44.841 45.100 -0.012 0.000 0.906 362 G HN 1.314 nan 8.290 nan 0.000 0.563 363 L N 1.535 122.841 121.223 0.139 0.000 2.326 363 L HA 0.541 4.873 4.340 -0.012 0.000 0.278 363 L C 1.640 178.730 176.870 0.367 0.000 1.092 363 L CA -0.232 54.738 54.840 0.217 0.000 0.810 363 L CB 1.265 43.395 42.059 0.119 0.000 1.153 363 L HN 1.010 nan 8.230 nan 0.000 0.439 364 T N -1.985 112.735 114.554 0.276 0.000 2.754 364 T HA 0.139 4.482 4.350 -0.012 0.000 0.286 364 T C 0.922 175.661 174.700 0.065 0.000 0.997 364 T CA -0.644 61.481 62.100 0.041 0.000 0.982 364 T CB 1.044 69.843 68.868 -0.115 0.000 1.027 364 T HN 0.652 nan 8.240 nan 0.000 0.529 365 E N 0.064 120.266 120.200 0.002 0.000 2.085 365 E HA -0.194 4.149 4.350 -0.012 0.000 0.194 365 E C 2.099 178.728 176.600 0.048 0.000 0.994 365 E CA 1.104 57.529 56.400 0.041 0.000 0.801 365 E CB -0.060 29.651 29.700 0.018 0.000 0.743 365 E HN 0.769 nan 8.360 nan 0.000 0.453 366 E N 1.638 121.852 120.200 0.023 0.000 2.051 366 E HA -0.239 4.104 4.350 -0.012 0.000 0.192 366 E C 1.710 178.346 176.600 0.060 0.000 0.991 366 E CA 1.378 57.798 56.400 0.033 0.000 0.799 366 E CB 0.048 29.757 29.700 0.014 0.000 0.748 366 E HN 0.337 nan 8.360 nan 0.000 0.449 367 E N 0.291 120.534 120.200 0.072 0.000 2.110 367 E HA -0.134 4.208 4.350 -0.012 0.000 0.193 367 E C 2.086 178.769 176.600 0.139 0.000 0.988 367 E CA 1.032 57.491 56.400 0.098 0.000 0.804 367 E CB -0.157 29.609 29.700 0.109 0.000 0.745 367 E HN 0.353 nan 8.360 nan 0.000 0.458 368 A N 1.742 124.655 122.820 0.154 0.000 1.873 368 A HA -0.213 4.099 4.320 -0.012 0.000 0.215 368 A C 1.960 179.698 177.584 0.256 0.000 1.186 368 A CA 1.458 53.639 52.037 0.241 0.000 0.616 368 A CB -0.265 18.824 19.000 0.148 0.000 0.823 368 A HN 0.034 nan 8.150 nan 0.000 0.442 369 K N -0.740 119.753 120.400 0.154 0.000 2.026 369 K HA -0.164 4.149 4.320 -0.012 0.000 0.208 369 K C 2.364 179.016 176.600 0.087 0.000 1.048 369 K CA 1.567 57.923 56.287 0.115 0.000 0.929 369 K CB -0.214 32.331 32.500 0.075 0.000 0.713 369 K HN 0.471 nan 8.250 nan 0.000 0.439 370 R N 0.882 121.429 120.500 0.078 0.000 2.127 370 R HA -0.109 4.224 4.340 -0.012 0.000 0.238 370 R C 1.860 178.186 176.300 0.044 0.000 1.134 370 R CA 1.419 57.551 56.100 0.054 0.000 0.975 370 R CB -0.146 30.185 30.300 0.052 0.000 0.865 370 R HN 0.193 nan 8.270 nan 0.000 0.447 371 A N -0.489 122.376 122.820 0.075 0.000 2.235 371 A HA 0.196 4.509 4.320 -0.012 0.000 0.208 371 A C 1.322 178.835 177.584 -0.118 0.000 1.172 371 A CA 0.785 52.836 52.037 0.023 0.000 0.786 371 A CB -0.110 18.969 19.000 0.131 0.000 0.804 371 A HN 0.600 nan 8.150 nan 0.000 0.479 372 G N -2.548 106.213 108.800 -0.065 0.000 2.144 372 G HA2 -0.248 3.704 3.960 -0.012 0.000 0.218 372 G HA3 -0.248 3.704 3.960 -0.012 0.000 0.218 372 G C -0.107 174.706 174.900 -0.146 0.000 0.988 372 G CA 0.060 45.089 45.100 -0.119 0.000 0.659 372 G HN 0.420 nan 8.290 nan 0.000 0.522 373 Y N 0.735 121.057 120.300 0.037 0.000 2.299 373 Y HA 0.523 5.068 4.550 -0.009 0.000 0.326 373 Y C 1.014 176.941 175.900 0.044 0.000 1.164 373 Y CA -0.603 57.524 58.100 0.045 0.000 1.234 373 Y CB 0.866 39.360 38.460 0.056 0.000 1.219 373 Y HN -0.178 nan 8.280 nan 0.000 0.497 374 K N 3.249 123.772 120.400 0.205 0.000 2.262 374 K HA 0.196 4.508 4.320 -0.012 0.000 0.288 374 K C -0.816 175.869 176.600 0.142 0.000 1.090 374 K CA -0.166 56.198 56.287 0.128 0.000 0.918 374 K CB 0.322 32.878 32.500 0.094 0.000 1.139 374 K HN 0.391 nan 8.250 nan 0.000 0.462 375 V N 3.457 123.444 119.914 0.123 0.000 2.614 375 V HA 0.176 4.289 4.120 -0.012 0.000 0.291 375 V C 0.518 176.648 176.094 0.060 0.000 1.049 375 V CA -0.171 62.196 62.300 0.111 0.000 1.038 375 V CB 0.843 32.728 31.823 0.104 0.000 0.980 375 V HN 0.551 nan 8.190 nan 0.000 0.481 376 K N 3.363 123.809 120.400 0.076 0.000 2.464 376 K HA 0.773 5.085 4.320 -0.012 0.000 0.253 376 K C -1.273 175.373 176.600 0.076 0.000 0.933 376 K CA -0.638 55.606 56.287 -0.072 0.000 0.801 376 K CB 2.321 34.581 32.500 -0.399 0.000 1.271 376 K HN 0.595 nan 8.250 nan 0.000 0.430 377 V N -0.571 119.350 119.914 0.011 0.000 2.914 377 V HA 0.930 5.043 4.120 -0.012 0.000 0.314 377 V C -0.367 175.807 176.094 0.133 0.000 1.084 377 V CA -0.590 61.800 62.300 0.150 0.000 0.963 377 V CB 1.683 33.566 31.823 0.099 0.000 1.025 377 V HN 0.797 nan 8.190 nan 0.000 0.432 378 G N 2.104 111.039 108.800 0.226 0.000 2.495 378 G HA2 0.744 4.697 3.960 -0.012 0.000 0.318 378 G HA3 0.744 4.697 3.960 -0.012 0.000 0.318 378 G C -1.161 173.822 174.900 0.139 0.000 1.257 378 G CA -0.964 44.245 45.100 0.183 0.000 0.962 378 G HN 0.855 nan 8.290 nan 0.000 0.483 379 K N 0.421 120.900 120.400 0.131 0.000 2.464 379 K HA 0.544 4.857 4.320 -0.012 0.000 0.253 379 K C -2.041 174.677 176.600 0.196 0.000 0.933 379 K CA -0.734 55.633 56.287 0.132 0.000 0.801 379 K CB 3.016 35.564 32.500 0.079 0.000 1.271 379 K HN 0.372 nan 8.250 nan 0.000 0.430 380 F N 4.115 124.081 119.950 0.027 0.000 2.562 380 F HA 0.387 4.905 4.527 -0.015 0.000 0.319 380 F C -2.601 173.216 175.800 0.028 0.000 1.154 380 F CA -2.031 55.986 58.000 0.028 0.000 0.931 380 F CB 1.799 40.812 39.000 0.021 0.000 1.198 380 F HN 0.293 nan 8.300 nan 0.000 0.444 381 P HA 0.241 nan 4.420 nan 0.000 0.288 381 P C 0.393 177.485 177.300 -0.347 0.000 1.267 381 P CA -0.331 62.580 63.100 -0.315 0.000 0.815 381 P CB 2.103 33.642 31.700 -0.269 0.000 0.989 382 L N 1.995 123.160 121.223 -0.097 0.000 2.465 382 L HA -0.088 4.245 4.340 -0.012 0.000 0.224 382 L C 2.344 179.191 176.870 -0.039 0.000 1.145 382 L CA 1.013 55.848 54.840 -0.008 0.000 0.834 382 L CB -0.638 41.446 42.059 0.042 0.000 0.944 382 L HN 0.430 nan 8.230 nan 0.000 0.451 383 A N 0.073 122.840 122.820 -0.089 0.000 2.067 383 A HA -0.026 4.286 4.320 -0.012 0.000 0.219 383 A C 2.188 179.725 177.584 -0.079 0.000 1.158 383 A CA 1.427 53.425 52.037 -0.064 0.000 0.661 383 A CB -0.269 18.692 19.000 -0.066 0.000 0.801 383 A HN 0.372 nan 8.150 nan 0.000 0.452 384 A N -0.860 121.860 122.820 -0.166 0.000 2.345 384 A HA 0.415 4.728 4.320 -0.012 0.000 0.225 384 A C 1.075 178.695 177.584 0.061 0.000 1.243 384 A CA 0.578 52.542 52.037 -0.122 0.000 0.875 384 A CB -0.297 18.502 19.000 -0.335 0.000 0.929 384 A HN 0.367 nan 8.150 nan 0.000 0.502 385 S N -0.239 115.516 115.700 0.091 0.000 2.430 385 S HA 0.445 4.908 4.470 -0.012 0.000 0.289 385 S C 1.479 176.109 174.600 0.049 0.000 1.143 385 S CA 0.013 58.312 58.200 0.165 0.000 1.067 385 S CB 0.908 64.227 63.200 0.198 0.000 0.964 385 S HN 0.471 nan 8.310 nan 0.000 0.485 386 G N 4.823 113.625 108.800 0.003 0.000 2.446 386 G HA2 -0.239 3.713 3.960 -0.012 0.000 0.217 386 G HA3 -0.239 3.713 3.960 -0.012 0.000 0.217 386 G C 1.494 176.369 174.900 -0.042 0.000 1.168 386 G CA 0.814 45.895 45.100 -0.032 0.000 0.771 386 G HN 0.660 nan 8.290 nan 0.000 0.551 387 R N 1.291 121.755 120.500 -0.061 0.000 2.081 387 R HA 0.084 4.416 4.340 -0.012 0.000 0.235 387 R C 2.729 179.023 176.300 -0.010 0.000 1.131 387 R CA 1.821 57.886 56.100 -0.058 0.000 0.960 387 R CB -1.009 29.253 30.300 -0.063 0.000 0.856 387 R HN 0.251 nan 8.270 nan 0.000 0.436 388 A N 0.205 123.036 122.820 0.018 0.000 1.972 388 A HA -0.109 4.204 4.320 -0.012 0.000 0.219 388 A C 2.042 179.650 177.584 0.041 0.000 1.169 388 A CA 1.413 53.472 52.037 0.037 0.000 0.635 388 A CB -0.586 18.445 19.000 0.051 0.000 0.810 388 A HN 0.348 nan 8.150 nan 0.000 0.446 389 L N 0.347 121.586 121.223 0.028 0.000 2.072 389 L HA -0.088 4.244 4.340 -0.012 0.000 0.205 389 L C 2.771 179.660 176.870 0.033 0.000 1.079 389 L CA 2.661 57.520 54.840 0.032 0.000 0.752 389 L CB -0.878 41.193 42.059 0.019 0.000 0.906 389 L HN 0.570 nan 8.230 nan 0.000 0.436 390 T N -3.333 111.225 114.554 0.008 0.000 3.051 390 T HA -0.129 4.214 4.350 -0.012 0.000 0.269 390 T C 1.611 176.314 174.700 0.005 0.000 1.127 390 T CA 1.104 63.199 62.100 -0.009 0.000 1.107 390 T CB -0.491 68.354 68.868 -0.037 0.000 0.898 390 T HN 0.356 nan 8.240 nan 0.000 0.517 391 L N 0.261 121.508 121.223 0.041 0.000 2.607 391 L HA 0.453 4.786 4.340 -0.012 0.000 0.228 391 L C 1.768 178.751 176.870 0.188 0.000 1.123 391 L CA 0.127 55.016 54.840 0.081 0.000 0.890 391 L CB -0.459 41.631 42.059 0.051 0.000 1.103 391 L HN 0.661 nan 8.230 nan 0.000 0.468 392 G N 0.115 109.015 108.800 0.167 0.000 2.846 392 G HA2 -0.209 3.744 3.960 -0.012 0.000 0.225 392 G HA3 -0.209 3.744 3.960 -0.012 0.000 0.225 392 G C 0.287 175.270 174.900 0.139 0.000 1.285 392 G CA -0.473 44.750 45.100 0.204 0.000 1.055 392 G HN 0.339 nan 8.290 nan 0.000 0.579 393 G N 0.637 109.526 108.800 0.148 0.000 2.378 393 G HA2 0.629 4.582 3.960 -0.012 0.000 0.255 393 G HA3 0.629 4.582 3.960 -0.012 0.000 0.255 393 G C 0.399 175.353 174.900 0.089 0.000 1.270 393 G CA 1.045 46.208 45.100 0.106 0.000 0.876 393 G HN 1.914 nan 8.290 nan 0.000 0.521 394 A N 2.405 125.263 122.820 0.062 0.000 3.175 394 A HA 0.511 4.823 4.320 -0.012 0.000 0.289 394 A C 0.273 177.880 177.584 0.040 0.000 1.429 394 A CA -0.476 51.590 52.037 0.048 0.000 1.155 394 A CB 0.121 19.140 19.000 0.032 0.000 1.169 394 A HN 0.584 nan 8.150 nan 0.000 0.574 395 E N 0.903 121.135 120.200 0.052 0.000 2.115 395 E HA 0.581 4.924 4.350 -0.012 0.000 0.282 395 E C 0.415 177.044 176.600 0.048 0.000 0.987 395 E CA 0.888 57.317 56.400 0.048 0.000 0.797 395 E CB 0.604 30.339 29.700 0.059 0.000 1.086 395 E HN 0.934 nan 8.360 nan 0.000 0.397 396 G N 2.767 111.590 108.800 0.039 0.000 2.369 396 G HA2 0.347 4.300 3.960 -0.012 0.000 0.295 396 G HA3 0.347 4.300 3.960 -0.012 0.000 0.295 396 G C -1.109 173.811 174.900 0.034 0.000 1.298 396 G CA -0.325 44.802 45.100 0.046 0.000 0.940 396 G HN 0.830 nan 8.290 nan 0.000 0.536 397 M N -2.003 117.625 119.600 0.046 0.000 2.732 397 M HA 0.786 5.259 4.480 -0.012 0.000 0.272 397 M C -1.907 174.432 176.300 0.064 0.000 1.203 397 M CA -1.069 54.262 55.300 0.052 0.000 0.841 397 M CB 1.945 34.568 32.600 0.038 0.000 1.685 397 M HN 0.898 nan 8.290 nan 0.000 0.492 398 V N 1.741 121.714 119.914 0.099 0.000 2.540 398 V HA 0.654 4.767 4.120 -0.012 0.000 0.302 398 V C -0.979 175.170 176.094 0.091 0.000 1.035 398 V CA -0.464 61.880 62.300 0.073 0.000 0.873 398 V CB 1.972 33.840 31.823 0.075 0.000 0.992 398 V HN 0.841 nan 8.190 nan 0.000 0.428 399 K N 4.326 124.777 120.400 0.085 0.000 2.413 399 K HA 0.748 5.061 4.320 -0.012 0.000 0.257 399 K C -1.023 175.647 176.600 0.117 0.000 0.946 399 K CA -0.561 55.799 56.287 0.121 0.000 0.823 399 K CB 1.985 34.578 32.500 0.154 0.000 1.109 399 K HN 0.592 nan 8.250 nan 0.000 0.427 400 V N 1.186 121.155 119.914 0.092 0.000 2.547 400 V HA 0.663 4.775 4.120 -0.012 0.000 0.299 400 V C -0.560 175.602 176.094 0.113 0.000 1.040 400 V CA -0.809 61.518 62.300 0.044 0.000 0.913 400 V CB 1.547 33.341 31.823 -0.049 0.000 0.992 400 V HN 0.432 nan 8.190 nan 0.000 0.449 401 V N 3.906 123.875 119.914 0.092 0.000 2.448 401 V HA 0.932 5.045 4.120 -0.012 0.000 0.295 401 V C 0.718 176.836 176.094 0.039 0.000 1.025 401 V CA 0.486 62.862 62.300 0.127 0.000 0.859 401 V CB 1.020 32.945 31.823 0.170 0.000 0.988 401 V HN 1.356 nan 8.190 nan 0.000 0.431 402 G N 2.042 110.927 108.800 0.141 0.000 2.725 402 G HA2 0.502 4.454 3.960 -0.012 0.000 0.288 402 G HA3 0.502 4.454 3.960 -0.012 0.000 0.288 402 G C -1.781 173.221 174.900 0.169 0.000 1.399 402 G CA -0.461 44.664 45.100 0.042 0.000 0.859 402 G HN 0.512 nan 8.290 nan 0.000 0.479 403 D N -0.217 120.235 120.400 0.086 0.000 2.316 403 D HA 0.105 4.737 4.640 -0.012 0.000 0.245 403 D C 1.091 177.545 176.300 0.256 0.000 1.171 403 D CA -0.291 53.803 54.000 0.156 0.000 0.856 403 D CB 1.768 42.647 40.800 0.131 0.000 1.090 403 D HN 0.560 nan 8.370 nan 0.000 0.476 404 E N 2.905 123.245 120.200 0.233 0.000 2.153 404 E HA -0.195 4.148 4.350 -0.012 0.000 0.194 404 E C 0.914 177.615 176.600 0.169 0.000 0.988 404 E CA 1.153 57.667 56.400 0.191 0.000 0.811 404 E CB 0.368 30.101 29.700 0.056 0.000 0.746 404 E HN 0.578 nan 8.360 nan 0.000 0.466 405 E N -0.704 119.585 120.200 0.147 0.000 2.076 405 E HA -0.102 4.241 4.350 -0.012 0.000 0.190 405 E C 1.976 178.648 176.600 0.121 0.000 0.979 405 E CA 1.612 58.083 56.400 0.118 0.000 0.807 405 E CB 0.172 29.933 29.700 0.102 0.000 0.761 405 E HN 0.362 nan 8.360 nan 0.000 0.454 406 T N -2.620 112.015 114.554 0.134 0.000 3.040 406 T HA 0.074 4.417 4.350 -0.012 0.000 0.250 406 T C 0.566 175.328 174.700 0.104 0.000 1.058 406 T CA 0.549 62.714 62.100 0.109 0.000 0.988 406 T CB 0.313 69.243 68.868 0.104 0.000 0.993 406 T HN 0.079 nan 8.240 nan 0.000 0.519 407 D N -0.792 119.696 120.400 0.147 0.000 3.079 407 D HA -0.145 4.488 4.640 -0.012 0.000 0.214 407 D C -0.361 175.925 176.300 -0.023 0.000 1.145 407 D CA 0.404 54.484 54.000 0.134 0.000 0.958 407 D CB -1.714 39.184 40.800 0.163 0.000 1.117 407 D HN 0.501 nan 8.370 nan 0.000 0.416 408 L N 0.608 121.823 121.223 -0.014 0.000 2.380 408 L HA 0.413 4.746 4.340 -0.012 0.000 0.273 408 L C -0.039 176.739 176.870 -0.153 0.000 1.138 408 L CA -0.316 54.481 54.840 -0.072 0.000 0.832 408 L CB 0.766 42.802 42.059 -0.038 0.000 1.124 408 L HN 0.232 nan 8.230 nan 0.000 0.454 409 L N 5.234 126.352 121.223 -0.174 0.000 2.367 409 L HA 0.202 4.535 4.340 -0.012 0.000 0.275 409 L C 0.290 177.053 176.870 -0.179 0.000 1.129 409 L CA 0.691 55.411 54.840 -0.201 0.000 0.839 409 L CB 0.565 42.515 42.059 -0.182 0.000 1.133 409 L HN 0.740 nan 8.230 nan 0.000 0.453 410 L N 4.098 125.215 121.223 -0.176 0.000 2.577 410 L HA 0.516 4.848 4.340 -0.012 0.000 0.225 410 L C 0.853 177.665 176.870 -0.097 0.000 1.053 410 L CA 0.307 55.036 54.840 -0.184 0.000 0.866 410 L CB 0.161 42.062 42.059 -0.264 0.000 1.132 410 L HN 0.779 nan 8.230 nan 0.000 0.486 411 G N -0.436 108.320 108.800 -0.073 0.000 2.673 411 G HA2 0.560 4.513 3.960 -0.012 0.000 0.292 411 G HA3 0.560 4.513 3.960 -0.012 0.000 0.292 411 G C -1.983 172.788 174.900 -0.215 0.000 1.450 411 G CA -0.311 44.728 45.100 -0.102 0.000 0.837 411 G HN -0.280 nan 8.290 nan 0.000 0.505 412 V N 0.306 119.854 119.914 -0.612 0.000 2.733 412 V HA 0.717 4.830 4.120 -0.012 0.000 0.306 412 V C -1.381 174.040 176.094 -1.121 0.000 1.084 412 V CA -0.679 61.282 62.300 -0.563 0.000 0.905 412 V CB 1.601 33.202 31.823 -0.369 0.000 1.010 412 V HN 0.645 nan 8.190 nan 0.000 0.424 413 F N 4.527 124.367 119.950 -0.183 0.000 2.547 413 F HA 0.773 5.296 4.527 -0.006 0.000 0.316 413 F C -0.237 175.374 175.800 -0.314 0.000 1.121 413 F CA -0.614 57.189 58.000 -0.329 0.000 0.911 413 F CB 1.931 40.807 39.000 -0.206 0.000 1.179 413 F HN 0.214 nan 8.300 nan 0.000 0.443 414 I N 3.250 123.596 120.570 -0.373 0.000 2.619 414 I HA 0.610 4.773 4.170 -0.012 0.000 0.292 414 I C -1.429 174.523 176.117 -0.274 0.000 1.100 414 I CA -1.162 59.992 61.300 -0.244 0.000 1.043 414 I CB 2.443 40.318 38.000 -0.208 0.000 1.239 414 I HN 0.350 nan 8.210 nan 0.000 0.420 415 V N 5.041 124.908 119.914 -0.077 0.000 2.525 415 V HA 1.012 5.125 4.120 -0.012 0.000 0.299 415 V C -0.273 175.845 176.094 0.040 0.000 1.034 415 V CA 0.406 62.725 62.300 0.032 0.000 0.863 415 V CB 1.263 33.183 31.823 0.162 0.000 0.999 415 V HN 1.065 nan 8.190 nan 0.000 0.423 416 G N 6.491 115.316 108.800 0.042 0.000 2.359 416 G HA2 0.283 4.236 3.960 -0.012 0.000 0.293 416 G HA3 0.283 4.236 3.960 -0.012 0.000 0.293 416 G C -3.508 171.412 174.900 0.033 0.000 1.300 416 G CA -0.338 44.788 45.100 0.043 0.000 0.888 416 G HN 0.661 nan 8.290 nan 0.000 0.541 417 P HA 0.226 nan 4.420 nan 0.000 0.271 417 P C -0.301 177.008 177.300 0.015 0.000 1.216 417 P CA 0.629 63.748 63.100 0.031 0.000 0.776 417 P CB 1.230 32.949 31.700 0.032 0.000 0.881 418 Q N 0.283 120.091 119.800 0.013 0.000 2.460 418 Q HA -0.261 4.071 4.340 -0.012 0.000 0.248 418 Q C 1.346 177.325 176.000 -0.035 0.000 0.847 418 Q CA 1.353 57.156 55.803 -0.000 0.000 1.214 418 Q CB -2.848 25.893 28.738 0.004 0.000 1.523 418 Q HN 0.707 nan 8.270 nan 0.000 0.602 419 A N 0.157 122.946 122.820 -0.052 0.000 1.948 419 A HA -0.065 4.248 4.320 -0.012 0.000 0.220 419 A C 2.199 179.700 177.584 -0.138 0.000 1.177 419 A CA 2.293 54.271 52.037 -0.098 0.000 0.636 419 A CB -0.863 18.071 19.000 -0.109 0.000 0.815 419 A HN 0.631 nan 8.150 nan 0.000 0.449 420 G N -0.884 107.821 108.800 -0.159 0.000 2.443 420 G HA2 -0.135 3.818 3.960 -0.012 0.000 0.219 420 G HA3 -0.135 3.818 3.960 -0.012 0.000 0.219 420 G C 1.366 176.202 174.900 -0.107 0.000 1.131 420 G CA 0.924 45.912 45.100 -0.187 0.000 0.775 420 G HN 0.538 nan 8.290 nan 0.000 0.547 421 E N 0.361 120.522 120.200 -0.065 0.000 2.170 421 E HA 0.071 4.413 4.350 -0.012 0.000 0.191 421 E C 2.599 179.164 176.600 -0.060 0.000 0.981 421 E CA 0.190 56.564 56.400 -0.044 0.000 0.830 421 E CB -0.162 29.527 29.700 -0.018 0.000 0.775 421 E HN 0.450 nan 8.360 nan 0.000 0.470 422 L N 0.373 121.557 121.223 -0.066 0.000 2.376 422 L HA -0.029 4.303 4.340 -0.012 0.000 0.219 422 L C 2.303 179.115 176.870 -0.096 0.000 1.133 422 L CA 0.140 54.941 54.840 -0.065 0.000 0.816 422 L CB -0.235 41.792 42.059 -0.053 0.000 0.933 422 L HN 0.040 nan 8.230 nan 0.000 0.449 423 I N 0.532 121.024 120.570 -0.130 0.000 2.676 423 I HA -0.133 4.029 4.170 -0.012 0.000 0.259 423 I C 2.505 178.540 176.117 -0.136 0.000 1.194 423 I CA 0.848 62.049 61.300 -0.165 0.000 1.473 423 I CB -0.214 37.663 38.000 -0.205 0.000 1.096 423 I HN 0.112 nan 8.210 nan 0.000 0.443 424 A N -0.357 122.396 122.820 -0.111 0.000 1.933 424 A HA -0.253 4.060 4.320 -0.012 0.000 0.218 424 A C 2.356 179.889 177.584 -0.085 0.000 1.175 424 A CA 1.799 53.778 52.037 -0.097 0.000 0.628 424 A CB -0.704 18.246 19.000 -0.083 0.000 0.814 424 A HN 0.553 nan 8.150 nan 0.000 0.444 425 E N -0.074 120.079 120.200 -0.078 0.000 2.110 425 E HA -0.135 4.208 4.350 -0.012 0.000 0.193 425 E C 2.091 178.648 176.600 -0.073 0.000 0.988 425 E CA 1.009 57.369 56.400 -0.067 0.000 0.804 425 E CB -0.231 29.440 29.700 -0.048 0.000 0.745 425 E HN 0.547 nan 8.360 nan 0.000 0.458 426 A N 1.192 123.954 122.820 -0.096 0.000 1.898 426 A HA -0.049 4.263 4.320 -0.012 0.000 0.216 426 A C 2.401 179.918 177.584 -0.111 0.000 1.181 426 A CA 1.649 53.614 52.037 -0.119 0.000 0.620 426 A CB -0.734 18.161 19.000 -0.175 0.000 0.819 426 A HN 0.406 nan 8.150 nan 0.000 0.442 427 A N -0.389 122.369 122.820 -0.104 0.000 1.902 427 A HA -0.068 4.245 4.320 -0.012 0.000 0.217 427 A C 2.141 179.691 177.584 -0.056 0.000 1.181 427 A CA 1.789 53.780 52.037 -0.076 0.000 0.623 427 A CB -0.656 18.304 19.000 -0.067 0.000 0.818 427 A HN 0.736 nan 8.150 nan 0.000 0.443 428 L N -0.249 120.939 121.223 -0.059 0.000 2.083 428 L HA -0.051 4.281 4.340 -0.012 0.000 0.209 428 L C 2.638 179.480 176.870 -0.046 0.000 1.083 428 L CA 2.139 56.950 54.840 -0.048 0.000 0.752 428 L CB -0.804 41.223 42.059 -0.053 0.000 0.899 428 L HN 0.347 nan 8.230 nan 0.000 0.433 429 A N -0.326 122.460 122.820 -0.057 0.000 1.883 429 A HA -0.197 4.116 4.320 -0.012 0.000 0.217 429 A C 2.264 179.813 177.584 -0.059 0.000 1.186 429 A CA 2.164 54.165 52.037 -0.059 0.000 0.624 429 A CB -0.957 18.000 19.000 -0.072 0.000 0.822 429 A HN 0.509 nan 8.150 nan 0.000 0.444 430 L N -0.731 120.454 121.223 -0.064 0.000 2.017 430 L HA -0.178 4.155 4.340 -0.012 0.000 0.208 430 L C 2.663 179.513 176.870 -0.033 0.000 1.073 430 L CA 1.365 56.171 54.840 -0.056 0.000 0.745 430 L CB -0.667 41.357 42.059 -0.058 0.000 0.894 430 L HN 0.343 nan 8.230 nan 0.000 0.432 431 E N -0.135 120.054 120.200 -0.019 0.000 2.160 431 E HA -0.193 4.150 4.350 -0.012 0.000 0.195 431 E C 2.001 178.596 176.600 -0.009 0.000 0.991 431 E CA 1.154 57.555 56.400 0.001 0.000 0.810 431 E CB -0.102 29.611 29.700 0.023 0.000 0.742 431 E HN 0.426 nan 8.360 nan 0.000 0.466 432 M N -0.947 118.641 119.600 -0.019 0.000 2.561 432 M HA 0.141 4.613 4.480 -0.012 0.000 0.238 432 M C 0.923 177.210 176.300 -0.023 0.000 1.131 432 M CA 0.498 55.786 55.300 -0.020 0.000 1.046 432 M CB -0.199 32.386 32.600 -0.025 0.000 1.532 432 M HN 0.145 nan 8.290 nan 0.000 0.497 433 G N 1.576 110.360 108.800 -0.027 0.000 2.221 433 G HA2 -0.184 3.769 3.960 -0.012 0.000 0.265 433 G HA3 -0.184 3.769 3.960 -0.012 0.000 0.265 433 G C 0.378 175.257 174.900 -0.035 0.000 1.041 433 G CA 0.290 45.374 45.100 -0.028 0.000 0.807 433 G HN 0.776 nan 8.290 nan 0.000 0.502 434 A N -0.151 122.642 122.820 -0.046 0.000 2.466 434 A HA 0.715 5.028 4.320 -0.012 0.000 0.238 434 A C 1.102 178.644 177.584 -0.070 0.000 1.074 434 A CA 1.189 53.195 52.037 -0.052 0.000 0.774 434 A CB 0.286 19.251 19.000 -0.057 0.000 1.015 434 A HN 1.844 nan 8.150 nan 0.000 0.498 435 T N -0.487 114.028 114.554 -0.064 0.000 2.936 435 T HA 0.479 4.822 4.350 -0.012 0.000 0.282 435 T C 1.007 175.630 174.700 -0.127 0.000 1.003 435 T CA -0.890 61.160 62.100 -0.083 0.000 1.005 435 T CB 0.578 69.428 68.868 -0.030 0.000 1.097 435 T HN 0.294 nan 8.240 nan 0.000 0.532 436 L N 0.575 121.663 121.223 -0.225 0.000 2.191 436 L HA -0.040 4.293 4.340 -0.012 0.000 0.212 436 L C 2.690 179.525 176.870 -0.059 0.000 1.103 436 L CA 1.654 56.301 54.840 -0.322 0.000 0.769 436 L CB -1.894 39.623 42.059 -0.904 0.000 0.908 436 L HN 0.871 nan 8.230 nan 0.000 0.438 437 T N -0.946 113.649 114.554 0.069 0.000 2.857 437 T HA -0.120 4.223 4.350 -0.012 0.000 0.266 437 T C 1.467 176.176 174.700 0.015 0.000 1.048 437 T CA 0.999 63.146 62.100 0.078 0.000 1.139 437 T CB -0.017 68.871 68.868 0.033 0.000 0.874 437 T HN 0.288 nan 8.240 nan 0.000 0.455 438 D N 1.034 121.430 120.400 -0.007 0.000 2.117 438 D HA -0.024 4.609 4.640 -0.012 0.000 0.198 438 D C 2.053 178.353 176.300 -0.000 0.000 0.982 438 D CA 0.579 54.573 54.000 -0.010 0.000 0.828 438 D CB -0.328 40.459 40.800 -0.021 0.000 0.967 438 D HN 0.159 nan 8.370 nan 0.000 0.464 439 L N 1.150 122.362 121.223 -0.018 0.000 2.046 439 L HA -0.096 4.236 4.340 -0.012 0.000 0.208 439 L C 2.222 179.102 176.870 0.015 0.000 1.077 439 L CA 1.570 56.408 54.840 -0.002 0.000 0.747 439 L CB -0.817 41.201 42.059 -0.067 0.000 0.896 439 L HN -0.048 nan 8.230 nan 0.000 0.432 440 A N -1.300 121.513 122.820 -0.011 0.000 1.968 440 A HA -0.088 4.225 4.320 -0.012 0.000 0.217 440 A C 2.186 179.775 177.584 0.008 0.000 1.169 440 A CA 1.323 53.350 52.037 -0.016 0.000 0.638 440 A CB -0.646 18.371 19.000 0.029 0.000 0.812 440 A HN 0.449 nan 8.150 nan 0.000 0.446 441 L N -0.028 121.207 121.223 0.020 0.000 2.478 441 L HA -0.012 4.320 4.340 -0.012 0.000 0.223 441 L C 0.339 177.232 176.870 0.038 0.000 1.140 441 L CA 0.229 55.080 54.840 0.018 0.000 0.842 441 L CB -0.475 41.587 42.059 0.005 0.000 0.953 441 L HN 0.168 nan 8.230 nan 0.000 0.452 442 T N 1.009 115.610 114.554 0.079 0.000 2.779 442 T HA 0.138 4.481 4.350 -0.012 0.000 0.296 442 T C 0.264 175.072 174.700 0.181 0.000 0.938 442 T CA -0.206 61.947 62.100 0.087 0.000 1.119 442 T CB 1.435 70.349 68.868 0.077 0.000 0.891 442 T HN -0.207 nan 8.240 nan 0.000 0.526 443 V N 6.110 126.070 119.914 0.078 0.000 2.381 443 V HA 0.080 4.193 4.120 -0.012 0.000 0.257 443 V C 0.360 176.504 176.094 0.083 0.000 1.057 443 V CA -0.384 61.974 62.300 0.096 0.000 1.013 443 V CB -0.976 30.867 31.823 0.034 0.000 1.069 443 V HN 0.779 nan 8.190 nan 0.000 0.484 444 H N 5.480 124.542 119.070 -0.014 0.000 2.582 444 H HA 0.377 4.920 4.556 -0.022 0.000 0.345 444 H C -2.061 173.279 175.328 0.021 0.000 1.104 444 H CA -1.899 54.145 56.048 -0.007 0.000 1.390 444 H CB 0.255 30.005 29.762 -0.019 0.000 1.461 444 H HN 0.448 nan 8.280 nan 0.000 0.551 445 P HA 0.055 nan 4.420 nan 0.000 0.267 445 P C -0.732 176.643 177.300 0.126 0.000 1.200 445 P CA 0.209 63.356 63.100 0.078 0.000 0.772 445 P CB 0.423 32.137 31.700 0.024 0.000 0.855 446 H N 2.168 121.258 119.070 0.034 0.000 2.529 446 H HA 0.517 5.068 4.556 -0.008 0.000 0.348 446 H C -2.343 172.997 175.328 0.021 0.000 1.079 446 H CA -1.806 54.262 56.048 0.034 0.000 1.198 446 H CB 1.007 30.797 29.762 0.047 0.000 1.521 446 H HN 0.300 nan 8.280 nan 0.000 0.514 447 P HA 0.305 nan 4.420 nan 0.000 0.301 447 P C -1.299 175.863 177.300 -0.230 0.000 1.338 447 P CA -0.574 62.131 63.100 -0.659 0.000 0.834 447 P CB 1.722 33.013 31.700 -0.682 0.000 0.967 448 T N -1.057 113.424 114.554 -0.121 0.000 2.883 448 T HA 0.358 4.701 4.350 -0.012 0.000 0.301 448 T C 1.070 175.768 174.700 -0.004 0.000 1.158 448 T CA -0.900 61.176 62.100 -0.040 0.000 1.007 448 T CB 0.882 69.749 68.868 -0.003 0.000 1.186 448 T HN 0.102 nan 8.240 nan 0.000 0.499 449 L N 1.431 122.659 121.223 0.008 0.000 2.141 449 L HA -0.019 4.314 4.340 -0.012 0.000 0.209 449 L C 3.070 179.961 176.870 0.034 0.000 1.094 449 L CA 1.455 56.312 54.840 0.028 0.000 0.763 449 L CB -0.624 41.449 42.059 0.023 0.000 0.908 449 L HN 0.954 nan 8.230 nan 0.000 0.437 450 S N -0.376 115.350 115.700 0.043 0.000 2.419 450 S HA -0.235 4.228 4.470 -0.012 0.000 0.235 450 S C 1.674 176.326 174.600 0.087 0.000 1.019 450 S CA 1.225 59.477 58.200 0.086 0.000 0.982 450 S CB -0.386 62.886 63.200 0.121 0.000 0.789 450 S HN 0.489 nan 8.310 nan 0.000 0.490 451 E N 1.151 121.373 120.200 0.038 0.000 2.219 451 E HA -0.104 4.239 4.350 -0.012 0.000 0.198 451 E C 2.074 178.501 176.600 -0.287 0.000 0.998 451 E CA 1.232 57.570 56.400 -0.104 0.000 0.818 451 E CB -0.286 29.413 29.700 -0.003 0.000 0.741 451 E HN 0.638 nan 8.360 nan 0.000 0.477 452 S N 0.824 116.421 115.700 -0.171 0.000 2.400 452 S HA -0.161 4.302 4.470 -0.012 0.000 0.232 452 S C 1.784 176.269 174.600 -0.192 0.000 1.025 452 S CA 0.651 58.743 58.200 -0.180 0.000 0.993 452 S CB -0.117 63.167 63.200 0.140 0.000 0.808 452 S HN 0.169 nan 8.310 nan 0.000 0.478 453 L N 1.470 122.589 121.223 -0.173 0.000 2.072 453 L HA 0.133 4.466 4.340 -0.012 0.000 0.205 453 L C 2.154 178.857 176.870 -0.280 0.000 1.079 453 L CA 1.621 56.365 54.840 -0.160 0.000 0.752 453 L CB -0.660 41.353 42.059 -0.076 0.000 0.906 453 L HN 0.332 nan 8.230 nan 0.000 0.436 454 M N -0.977 118.293 119.600 -0.550 0.000 2.086 454 M HA -0.208 4.265 4.480 -0.012 0.000 0.261 454 M C 1.931 178.018 176.300 -0.355 0.000 1.067 454 M CA 1.862 56.812 55.300 -0.584 0.000 1.116 454 M CB -0.194 31.845 32.600 -0.935 0.000 1.348 454 M HN 0.308 nan 8.290 nan 0.000 0.407 455 E N 0.216 120.150 120.200 -0.443 0.000 2.204 455 E HA -0.132 4.211 4.350 -0.012 0.000 0.194 455 E C 1.955 178.447 176.600 -0.180 0.000 0.989 455 E CA 1.071 57.211 56.400 -0.434 0.000 0.824 455 E CB -0.164 28.895 29.700 -1.068 0.000 0.756 455 E HN 0.669 nan 8.360 nan 0.000 0.477 456 A N 1.693 124.441 122.820 -0.120 0.000 1.930 456 A HA -0.028 4.284 4.320 -0.012 0.000 0.217 456 A C 2.421 180.017 177.584 0.019 0.000 1.175 456 A CA 1.469 53.533 52.037 0.045 0.000 0.627 456 A CB -0.401 18.626 19.000 0.046 0.000 0.815 456 A HN 0.269 nan 8.150 nan 0.000 0.443 457 A N -0.001 122.781 122.820 -0.064 0.000 1.930 457 A HA -0.155 4.158 4.320 -0.012 0.000 0.217 457 A C 1.899 179.495 177.584 0.020 0.000 1.175 457 A CA 1.591 53.578 52.037 -0.082 0.000 0.627 457 A CB -0.476 18.455 19.000 -0.115 0.000 0.815 457 A HN 0.638 nan 8.150 nan 0.000 0.443 458 E N -0.168 120.047 120.200 0.026 0.000 2.072 458 E HA -0.073 4.270 4.350 -0.012 0.000 0.191 458 E C 2.294 178.972 176.600 0.129 0.000 0.985 458 E CA 0.849 57.302 56.400 0.089 0.000 0.801 458 E CB -0.291 29.414 29.700 0.008 0.000 0.750 458 E HN 0.611 nan 8.360 nan 0.000 0.452 459 A N 1.233 124.122 122.820 0.115 0.000 1.933 459 A HA -0.194 4.118 4.320 -0.012 0.000 0.218 459 A C 1.968 179.624 177.584 0.119 0.000 1.175 459 A CA 1.049 53.163 52.037 0.129 0.000 0.628 459 A CB -0.777 18.318 19.000 0.158 0.000 0.814 459 A HN 0.371 nan 8.150 nan 0.000 0.444 460 F N 0.444 120.348 119.950 -0.077 0.000 2.250 460 F HA -0.192 4.329 4.527 -0.010 0.000 0.301 460 F C 1.671 177.340 175.800 -0.219 0.000 1.077 460 F CA 2.036 59.930 58.000 -0.176 0.000 1.348 460 F CB -0.327 38.502 39.000 -0.286 0.000 1.040 460 F HN 0.447 nan 8.300 nan 0.000 0.509 461 H N 0.168 119.388 119.070 0.249 0.000 2.505 461 H HA 0.214 4.763 4.556 -0.012 0.000 0.286 461 H C 0.089 175.447 175.328 0.049 0.000 1.072 461 H CA -0.307 55.822 56.048 0.135 0.000 1.141 461 H CB 0.135 30.000 29.762 0.172 0.000 1.550 461 H HN -0.136 nan 8.280 nan 0.000 0.547 462 K N 1.154 121.623 120.400 0.115 0.000 3.077 462 K HA -0.238 4.074 4.320 -0.012 0.000 0.264 462 K C -0.165 176.481 176.600 0.077 0.000 1.008 462 K CA 0.983 57.313 56.287 0.072 0.000 0.740 462 K CB -1.843 30.680 32.500 0.037 0.000 1.273 462 K HN 0.776 nan 8.250 nan 0.000 0.477 463 Q N -1.990 117.866 119.800 0.093 0.000 2.088 463 Q HA 0.479 4.811 4.340 -0.012 0.000 0.270 463 Q C 0.063 176.086 176.000 0.038 0.000 0.854 463 Q CA -0.100 55.739 55.803 0.059 0.000 1.104 463 Q CB 0.900 29.671 28.738 0.054 0.000 1.251 463 Q HN 0.268 nan 8.270 nan 0.000 0.436 464 A N 1.076 123.930 122.820 0.057 0.000 2.445 464 A HA 0.299 4.611 4.320 -0.012 0.000 0.242 464 A C 0.839 178.432 177.584 0.016 0.000 1.075 464 A CA -0.253 51.812 52.037 0.047 0.000 0.777 464 A CB 0.218 19.307 19.000 0.149 0.000 1.013 464 A HN 0.443 nan 8.150 nan 0.000 0.493 465 I N 0.455 120.984 120.570 -0.070 0.000 2.927 465 I HA -0.026 4.136 4.170 -0.012 0.000 0.268 465 I C 1.490 177.564 176.117 -0.072 0.000 1.153 465 I CA 1.382 62.597 61.300 -0.142 0.000 1.459 465 I CB -1.476 36.325 38.000 -0.332 0.000 1.149 465 I HN 0.847 nan 8.210 nan 0.000 0.443 466 H N 1.365 120.532 119.070 0.162 0.000 2.543 466 H HA 0.292 4.840 4.556 -0.014 0.000 0.269 466 H C 0.336 175.784 175.328 0.200 0.000 1.005 466 H CA -0.025 56.152 56.048 0.215 0.000 1.146 466 H CB 0.213 30.170 29.762 0.325 0.000 1.353 466 H HN 0.295 nan 8.280 nan 0.000 0.595 467 I N -3.044 117.682 120.570 0.261 0.000 3.006 467 I HA 0.307 4.469 4.170 -0.012 0.000 0.306 467 I C -1.158 175.016 176.117 0.095 0.000 1.250 467 I CA -1.434 59.948 61.300 0.136 0.000 0.996 467 I CB 2.271 40.318 38.000 0.079 0.000 1.261 467 I HN -0.189 nan 8.210 nan 0.000 0.442 468 L N 3.877 125.133 121.223 0.055 0.000 2.367 468 L HA 0.359 4.691 4.340 -0.012 0.000 0.275 468 L C 0.383 177.276 176.870 0.040 0.000 1.129 468 L CA -0.163 54.702 54.840 0.041 0.000 0.839 468 L CB 0.131 42.206 42.059 0.026 0.000 1.133 468 L HN 0.613 nan 8.230 nan 0.000 0.453 469 N N 0.000 118.723 118.700 0.038 0.000 1.763 469 N HA 0.000 4.733 4.740 -0.012 0.000 0.220 469 N CA 0.000 53.071 53.050 0.035 0.000 0.885 469 N CB 0.000 38.510 38.487 0.038 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667