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_G 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 0.000 176.210 176.300 -0.150 0.000 1.140 7 M CA 0.000 55.219 55.300 -0.135 0.000 0.988 7 M CB 0.000 32.546 32.600 -0.090 0.000 1.302 8 K N 3.170 123.440 120.400 -0.216 0.000 2.451 8 K HA 0.300 4.620 4.320 0.000 0.000 0.280 8 K C 0.158 176.647 176.600 -0.183 0.000 1.020 8 K CA 0.400 56.560 56.287 -0.212 0.000 1.008 8 K CB 0.631 33.041 32.500 -0.150 0.000 0.917 8 K HN 0.659 nan 8.250 nan 0.000 0.478 9 T N -0.118 114.242 114.554 -0.323 0.000 2.932 9 T HA 0.600 4.951 4.350 0.000 0.000 0.289 9 T C -0.788 173.606 174.700 -0.511 0.000 1.039 9 T CA -0.788 61.184 62.100 -0.213 0.000 1.024 9 T CB 0.705 69.516 68.868 -0.095 0.000 1.090 9 T HN 0.422 nan 8.240 nan 0.000 0.496 10 Y N -0.889 119.449 120.300 0.062 0.000 2.625 10 Y HA 0.402 4.952 4.550 0.000 0.000 0.338 10 Y C 0.734 176.661 175.900 0.045 0.000 1.123 10 Y CA -1.301 56.831 58.100 0.054 0.000 1.046 10 Y CB 1.186 39.685 38.460 0.064 0.000 1.299 10 Y HN 0.542 nan 8.280 nan 0.000 0.464 11 D N 0.408 120.929 120.400 0.202 0.000 2.149 11 D HA -0.006 4.634 4.640 0.000 0.000 0.201 11 D C -0.266 176.110 176.300 0.126 0.000 0.972 11 D CA 1.579 55.655 54.000 0.126 0.000 0.835 11 D CB 0.392 41.247 40.800 0.090 0.000 0.966 11 D HN 0.285 nan 8.370 nan 0.000 0.476 12 L N -0.029 121.273 121.223 0.133 0.000 2.455 12 L HA 0.445 4.785 4.340 0.000 0.000 0.264 12 L C -1.676 175.212 176.870 0.030 0.000 0.968 12 L CA -0.547 54.342 54.840 0.082 0.000 0.827 12 L CB 2.327 44.412 42.059 0.044 0.000 1.317 12 L HN -0.233 nan 8.230 nan 0.000 0.407 13 I N 5.196 125.772 120.570 0.009 0.000 2.389 13 I HA 0.465 4.635 4.170 0.000 0.000 0.288 13 I C -0.912 175.169 176.117 -0.060 0.000 0.999 13 I CA -0.879 60.376 61.300 -0.075 0.000 1.129 13 I CB 1.957 39.928 38.000 -0.048 0.000 1.288 13 I HN 0.302 nan 8.210 nan 0.000 0.444 14 V N 7.568 127.427 119.914 -0.093 0.000 2.370 14 V HA 0.393 4.513 4.120 0.000 0.000 0.283 14 V C 0.216 176.257 176.094 -0.088 0.000 1.023 14 V CA -0.464 61.798 62.300 -0.063 0.000 0.857 14 V CB 1.655 33.451 31.823 -0.046 0.000 0.985 14 V HN 0.473 nan 8.190 nan 0.000 0.443 15 I N 5.024 125.548 120.570 -0.077 0.000 2.291 15 I HA 0.671 4.841 4.170 0.000 0.000 0.290 15 I C 0.764 176.834 176.117 -0.077 0.000 1.050 15 I CA 0.068 61.305 61.300 -0.105 0.000 1.245 15 I CB 0.838 38.763 38.000 -0.126 0.000 1.405 15 I HN 0.873 nan 8.210 nan 0.000 0.478 16 G N 3.471 112.230 108.800 -0.068 0.000 3.055 16 G HA2 -0.092 3.868 3.960 0.000 0.000 0.685 16 G HA3 -0.092 3.868 3.960 0.000 0.000 0.685 16 G C -0.106 174.796 174.900 0.004 0.000 1.212 16 G CA -0.352 44.729 45.100 -0.032 0.000 0.822 16 G HN 0.688 nan 8.290 nan 0.000 0.610 17 T N 0.038 114.613 114.554 0.035 0.000 3.293 17 T HA 0.637 4.987 4.350 0.000 0.000 0.276 17 T C 1.271 176.090 174.700 0.198 0.000 1.003 17 T CA 0.919 63.083 62.100 0.107 0.000 0.916 17 T CB 0.600 69.512 68.868 0.075 0.000 1.134 17 T HN 1.684 nan 8.240 nan 0.000 0.530 18 G N 2.050 110.920 108.800 0.117 0.000 2.508 18 G HA2 0.456 4.416 3.960 0.000 0.000 0.278 18 G HA3 0.456 4.416 3.960 0.000 0.000 0.278 18 G C -1.525 173.382 174.900 0.012 0.000 1.389 18 G CA -1.550 43.617 45.100 0.113 0.000 1.050 18 G HN 0.057 nan 8.290 nan 0.000 0.522 19 P HA -0.135 nan 4.420 nan 0.000 0.216 19 P C 1.994 178.990 177.300 -0.507 0.000 1.157 19 P CA 2.123 64.951 63.100 -0.453 0.000 0.880 19 P CB -0.060 31.491 31.700 -0.249 0.000 0.791 20 G N -0.672 107.976 108.800 -0.252 0.000 2.464 20 G HA2 -0.182 3.778 3.960 0.000 0.000 0.214 20 G HA3 -0.182 3.778 3.960 0.000 0.000 0.214 20 G C 1.846 176.689 174.900 -0.096 0.000 1.218 20 G CA 0.969 45.972 45.100 -0.161 0.000 0.794 20 G HN 0.349 nan 8.290 nan 0.000 0.542 21 G N 0.702 109.471 108.800 -0.052 0.000 2.529 21 G HA2 -0.318 3.642 3.960 0.000 0.000 0.219 21 G HA3 -0.318 3.642 3.960 0.000 0.000 0.219 21 G C 1.751 176.689 174.900 0.063 0.000 1.177 21 G CA 1.598 46.701 45.100 0.005 0.000 0.773 21 G HN 0.703 nan 8.290 nan 0.000 0.573 22 Y N -0.277 120.050 120.300 0.045 0.000 2.421 22 Y HA 0.124 4.674 4.550 0.000 0.000 0.292 22 Y C 2.360 178.264 175.900 0.006 0.000 1.136 22 Y CA 1.263 59.375 58.100 0.020 0.000 1.255 22 Y CB -0.769 37.699 38.460 0.014 0.000 0.991 22 Y HN 0.300 nan 8.280 nan 0.000 0.552 23 H N 0.462 119.426 119.070 -0.178 0.000 2.372 23 H HA 0.145 4.701 4.556 0.000 0.000 0.301 23 H C 2.356 177.656 175.328 -0.046 0.000 1.065 23 H CA 1.487 57.466 56.048 -0.115 0.000 1.364 23 H CB -0.342 29.285 29.762 -0.225 0.000 1.406 23 H HN 0.458 nan 8.280 nan 0.000 0.521 24 A N 0.723 123.571 122.820 0.046 0.000 1.858 24 A HA -0.128 4.192 4.320 0.000 0.000 0.216 24 A C 2.530 180.110 177.584 -0.007 0.000 1.190 24 A CA 1.815 53.853 52.037 0.001 0.000 0.617 24 A CB -1.198 17.792 19.000 -0.017 0.000 0.827 24 A HN 0.468 nan 8.150 nan 0.000 0.443 25 A N -0.167 122.658 122.820 0.010 0.000 1.883 25 A HA -0.107 4.213 4.320 0.000 0.000 0.217 25 A C 2.157 179.741 177.584 -0.000 0.000 1.186 25 A CA 1.628 53.666 52.037 0.003 0.000 0.624 25 A CB -0.627 18.380 19.000 0.011 0.000 0.822 25 A HN 0.504 nan 8.150 nan 0.000 0.444 26 I N -1.228 119.345 120.570 0.005 0.000 2.252 26 I HA -0.211 3.959 4.170 0.000 0.000 0.245 26 I C 2.681 178.781 176.117 -0.028 0.000 1.102 26 I CA 1.551 62.841 61.300 -0.017 0.000 1.385 26 I CB -0.240 37.741 38.000 -0.033 0.000 1.064 26 I HN 0.277 nan 8.210 nan 0.000 0.414 27 R N 1.774 122.255 120.500 -0.033 0.000 2.096 27 R HA -0.097 4.243 4.340 0.000 0.000 0.235 27 R C 2.149 178.436 176.300 -0.022 0.000 1.127 27 R CA 1.864 57.947 56.100 -0.029 0.000 0.968 27 R CB -0.795 29.491 30.300 -0.024 0.000 0.861 27 R HN 0.332 nan 8.270 nan 0.000 0.440 28 A N 0.282 123.089 122.820 -0.021 0.000 1.877 28 A HA -0.033 4.287 4.320 0.000 0.000 0.216 28 A C 2.379 179.960 177.584 -0.004 0.000 1.186 28 A CA 1.872 53.900 52.037 -0.016 0.000 0.620 28 A CB -1.120 17.870 19.000 -0.016 0.000 0.822 28 A HN 0.465 nan 8.150 nan 0.000 0.443 29 A N -0.711 122.107 122.820 -0.003 0.000 1.972 29 A HA -0.199 4.121 4.320 0.000 0.000 0.219 29 A C 2.077 179.660 177.584 -0.001 0.000 1.169 29 A CA 1.599 53.638 52.037 0.003 0.000 0.635 29 A CB -0.533 18.468 19.000 0.001 0.000 0.810 29 A HN 0.684 nan 8.150 nan 0.000 0.446 30 Q N -0.576 119.219 119.800 -0.009 0.000 2.224 30 Q HA 0.037 4.377 4.340 0.000 0.000 0.203 30 Q C 1.471 177.468 176.000 -0.006 0.000 0.970 30 Q CA 0.914 56.711 55.803 -0.010 0.000 0.865 30 Q CB -0.222 28.506 28.738 -0.016 0.000 0.922 30 Q HN 0.654 nan 8.270 nan 0.000 0.445 31 L N -0.644 120.576 121.223 -0.005 0.000 2.599 31 L HA 0.123 4.463 4.340 0.000 0.000 0.230 31 L C 1.084 177.957 176.870 0.005 0.000 1.141 31 L CA 0.447 55.286 54.840 -0.001 0.000 0.877 31 L CB -0.024 42.032 42.059 -0.005 0.000 1.009 31 L HN 0.430 nan 8.230 nan 0.000 0.447 32 G N -0.085 108.719 108.800 0.007 0.000 2.175 32 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 32 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 32 G C 0.247 175.160 174.900 0.021 0.000 0.982 32 G CA -0.318 44.789 45.100 0.012 0.000 0.641 32 G HN 0.200 nan 8.290 nan 0.000 0.527 33 L N 0.375 121.612 121.223 0.024 0.000 2.418 33 L HA 0.451 4.791 4.340 0.000 0.000 0.265 33 L C 0.944 177.846 176.870 0.054 0.000 1.143 33 L CA -0.617 54.246 54.840 0.038 0.000 0.809 33 L CB 0.964 43.045 42.059 0.037 0.000 1.124 33 L HN 0.122 nan 8.230 nan 0.000 0.456 34 K N 2.164 122.613 120.400 0.081 0.000 2.285 34 K HA 0.435 4.755 4.320 0.000 0.000 0.286 34 K C -1.203 175.501 176.600 0.174 0.000 1.072 34 K CA -0.393 55.969 56.287 0.125 0.000 0.913 34 K CB 0.865 33.443 32.500 0.130 0.000 1.067 34 K HN 0.395 nan 8.250 nan 0.000 0.479 35 V N 5.384 125.372 119.914 0.122 0.000 2.581 35 V HA 0.428 4.548 4.120 0.000 0.000 0.303 35 V C -0.743 175.294 176.094 -0.094 0.000 1.041 35 V CA -1.120 61.203 62.300 0.037 0.000 0.907 35 V CB 1.538 33.361 31.823 -0.001 0.000 0.994 35 V HN 0.687 nan 8.190 nan 0.000 0.442 36 L N 3.769 124.800 121.223 -0.320 0.000 2.356 36 L HA 0.912 5.252 4.340 0.000 0.000 0.277 36 L C -0.065 176.616 176.870 -0.315 0.000 0.996 36 L CA -0.204 54.310 54.840 -0.542 0.000 0.822 36 L CB 1.393 42.714 42.059 -1.231 0.000 1.256 36 L HN 0.788 nan 8.230 nan 0.000 0.413 37 A N 5.168 127.851 122.820 -0.228 0.000 2.303 37 A HA 0.773 5.093 4.320 0.000 0.000 0.320 37 A C -1.183 176.298 177.584 -0.172 0.000 1.192 37 A CA -0.547 51.397 52.037 -0.154 0.000 0.821 37 A CB 1.233 20.184 19.000 -0.082 0.000 1.188 37 A HN 0.511 nan 8.150 nan 0.000 0.492 38 V N 2.043 121.854 119.914 -0.171 0.000 2.435 38 V HA 0.622 4.742 4.120 0.000 0.000 0.290 38 V C -0.293 175.735 176.094 -0.110 0.000 1.030 38 V CA -0.471 61.726 62.300 -0.172 0.000 0.881 38 V CB 1.412 33.100 31.823 -0.225 0.000 0.983 38 V HN 0.965 nan 8.190 nan 0.000 0.445 39 E N 3.175 123.328 120.200 -0.078 0.000 2.260 39 E HA 0.698 5.048 4.350 0.000 0.000 0.266 39 E C 0.273 176.870 176.600 -0.005 0.000 0.887 39 E CA -0.047 56.331 56.400 -0.036 0.000 0.777 39 E CB 1.838 31.525 29.700 -0.023 0.000 1.205 39 E HN 0.619 nan 8.360 nan 0.000 0.414 40 A N 3.313 126.153 122.820 0.033 0.000 1.930 40 A HA 0.315 4.635 4.320 0.000 0.000 0.215 40 A C 1.219 178.844 177.584 0.067 0.000 1.176 40 A CA 1.466 53.566 52.037 0.105 0.000 0.632 40 A CB -0.270 18.888 19.000 0.265 0.000 0.819 40 A HN 0.615 nan 8.150 nan 0.000 0.445 41 G N -0.993 107.833 108.800 0.043 0.000 3.414 41 G HA2 0.458 4.418 3.960 0.000 0.000 0.196 41 G HA3 0.458 4.418 3.960 0.000 0.000 0.196 41 G C -0.706 174.197 174.900 0.005 0.000 1.486 41 G CA -0.305 44.807 45.100 0.020 0.000 0.811 41 G HN 0.133 nan 8.290 nan 0.000 0.704 42 E N 0.624 120.824 120.200 -0.001 0.000 2.249 42 E HA 0.416 4.766 4.350 0.000 0.000 0.280 42 E C 0.014 176.611 176.600 -0.005 0.000 1.016 42 E CA -0.432 55.962 56.400 -0.010 0.000 0.830 42 E CB 1.978 31.667 29.700 -0.018 0.000 1.081 42 E HN 0.082 nan 8.360 nan 0.000 0.395 43 V N 1.792 121.697 119.914 -0.014 0.000 2.872 43 V HA 0.280 4.400 4.120 0.000 0.000 0.307 43 V C 1.551 177.643 176.094 -0.004 0.000 1.072 43 V CA 1.505 63.797 62.300 -0.012 0.000 1.148 43 V CB 0.703 32.501 31.823 -0.042 0.000 0.954 43 V HN 1.018 nan 8.190 nan 0.000 0.490 44 G N 2.220 111.048 108.800 0.047 0.000 2.232 44 G HA2 0.096 4.056 3.960 0.000 0.000 0.226 44 G HA3 0.096 4.056 3.960 0.000 0.000 0.226 44 G C 0.977 175.952 174.900 0.124 0.000 0.996 44 G CA 0.215 45.373 45.100 0.097 0.000 0.626 44 G HN 2.309 nan 8.290 nan 0.000 0.509 45 G N -1.290 107.554 108.800 0.073 0.000 2.601 45 G HA2 -0.047 3.913 3.960 0.000 0.000 0.252 45 G HA3 -0.047 3.913 3.960 0.000 0.000 0.252 45 G C 1.097 176.013 174.900 0.027 0.000 1.294 45 G CA 1.223 46.353 45.100 0.049 0.000 0.912 45 G HN 1.296 nan 8.290 nan 0.000 0.574 46 V N 0.028 119.952 119.914 0.018 0.000 2.270 46 V HA -0.213 3.907 4.120 0.000 0.000 0.245 46 V C 3.159 179.257 176.094 0.006 0.000 1.043 46 V CA 2.872 65.175 62.300 0.005 0.000 1.014 46 V CB -1.046 30.778 31.823 0.003 0.000 0.645 46 V HN 1.134 nan 8.190 nan 0.000 0.447 47 c N -0.036 118.574 118.600 0.016 0.000 2.385 47 c HA -0.209 4.361 4.570 0.000 0.000 0.275 47 c C 2.558 176.653 174.090 0.007 0.000 1.207 47 c CA 1.584 57.922 56.329 0.015 0.000 1.760 47 c CB -1.093 41.433 42.510 0.027 0.000 2.051 47 c HN 0.531 nan 8.230 nan 0.000 0.467 48 L N 1.119 122.358 121.223 0.026 0.000 2.179 48 L HA 0.033 4.373 4.340 0.000 0.000 0.208 48 L C 2.387 179.240 176.870 -0.028 0.000 1.096 48 L CA 1.610 56.452 54.840 0.004 0.000 0.779 48 L CB -0.790 41.286 42.059 0.027 0.000 0.922 48 L HN 0.457 nan 8.230 nan 0.000 0.443 49 N N -0.771 117.917 118.700 -0.021 0.000 2.428 49 N HA 0.039 4.779 4.740 0.000 0.000 0.181 49 N C 1.184 176.668 175.510 -0.043 0.000 1.028 49 N CA 1.599 54.627 53.050 -0.036 0.000 0.877 49 N CB 0.674 39.145 38.487 -0.027 0.000 1.064 49 N HN 0.292 nan 8.380 nan 0.000 0.434 50 V N -3.059 116.835 119.914 -0.033 0.000 3.199 50 V HA 0.624 4.744 4.120 0.000 0.000 0.331 50 V C 0.642 176.723 176.094 -0.023 0.000 1.446 50 V CA -0.094 62.185 62.300 -0.035 0.000 1.120 50 V CB 0.529 32.327 31.823 -0.041 0.000 1.051 50 V HN 0.137 nan 8.190 nan 0.000 0.495 51 G N -0.169 108.620 108.800 -0.019 0.000 3.244 51 G HA2 0.172 4.132 3.960 0.000 0.000 0.197 51 G HA3 0.172 4.132 3.960 0.000 0.000 0.197 51 G C 1.053 175.942 174.900 -0.018 0.000 1.531 51 G CA 0.721 45.817 45.100 -0.006 0.000 0.747 51 G HN 0.262 nan 8.290 nan 0.000 0.763 52 c N 0.944 119.532 118.600 -0.020 0.000 2.336 52 c HA -0.136 4.434 4.570 0.000 0.000 0.275 52 c C 2.793 176.820 174.090 -0.104 0.000 1.175 52 c CA 0.726 57.018 56.329 -0.062 0.000 1.771 52 c CB -1.280 41.201 42.510 -0.048 0.000 2.030 52 c HN 0.414 nan 8.230 nan 0.000 0.442 53 I N 2.298 122.817 120.570 -0.086 0.000 2.076 53 I HA -0.120 4.050 4.170 0.000 0.000 0.237 53 I C 0.198 176.240 176.117 -0.124 0.000 1.059 53 I CA 1.936 63.169 61.300 -0.111 0.000 1.317 53 I CB -2.875 35.065 38.000 -0.099 0.000 1.037 53 I HN 0.266 nan 8.210 nan 0.000 0.398 54 P HA -0.128 nan 4.420 nan 0.000 0.216 54 P C 1.675 178.941 177.300 -0.057 0.000 1.150 54 P CA 1.738 64.775 63.100 -0.105 0.000 0.837 54 P CB -0.259 31.393 31.700 -0.080 0.000 0.786 55 T N 0.330 114.862 114.554 -0.035 0.000 2.708 55 T HA -0.116 4.234 4.350 0.000 0.000 0.266 55 T C 1.865 176.570 174.700 0.007 0.000 1.037 55 T CA 1.729 63.832 62.100 0.005 0.000 1.146 55 T CB -0.480 68.399 68.868 0.018 0.000 0.865 55 T HN 0.082 nan 8.240 nan 0.000 0.435 56 K N 1.331 121.694 120.400 -0.062 0.000 2.152 56 K HA 0.099 4.419 4.320 0.000 0.000 0.206 56 K C 2.298 178.938 176.600 0.066 0.000 1.048 56 K CA 1.095 57.347 56.287 -0.058 0.000 0.933 56 K CB -0.599 31.778 32.500 -0.205 0.000 0.721 56 K HN 0.327 nan 8.250 nan 0.000 0.447 57 A N 0.480 123.315 122.820 0.025 0.000 1.873 57 A HA -0.122 4.198 4.320 0.000 0.000 0.215 57 A C 2.098 179.880 177.584 0.330 0.000 1.186 57 A CA 1.293 53.402 52.037 0.119 0.000 0.616 57 A CB -0.631 18.186 19.000 -0.306 0.000 0.823 57 A HN 0.204 nan 8.150 nan 0.000 0.442 58 L N -0.723 120.605 121.223 0.176 0.000 2.046 58 L HA -0.171 4.169 4.340 0.000 0.000 0.208 58 L C 2.564 179.530 176.870 0.160 0.000 1.077 58 L CA 1.019 55.961 54.840 0.169 0.000 0.747 58 L CB -0.550 41.565 42.059 0.094 0.000 0.896 58 L HN 0.369 nan 8.230 nan 0.000 0.432 59 L N -0.959 120.358 121.223 0.157 0.000 2.083 59 L HA -0.259 4.081 4.340 0.000 0.000 0.209 59 L C 2.665 179.641 176.870 0.178 0.000 1.083 59 L CA 1.169 56.101 54.840 0.153 0.000 0.752 59 L CB -0.594 41.564 42.059 0.165 0.000 0.899 59 L HN 0.326 nan 8.230 nan 0.000 0.433 60 H N -0.118 119.044 119.070 0.153 0.000 2.357 60 H HA -0.089 4.467 4.556 0.000 0.000 0.301 60 H C 2.095 177.486 175.328 0.106 0.000 1.082 60 H CA 1.423 57.558 56.048 0.146 0.000 1.342 60 H CB 0.113 29.995 29.762 0.199 0.000 1.389 60 H HN 0.259 nan 8.280 nan 0.000 0.511 61 A N 0.828 123.662 122.820 0.024 0.000 1.898 61 A HA -0.013 4.307 4.320 0.000 0.000 0.216 61 A C 2.605 180.143 177.584 -0.078 0.000 1.181 61 A CA 1.607 53.584 52.037 -0.101 0.000 0.620 61 A CB -1.314 17.708 19.000 0.037 0.000 0.819 61 A HN 0.600 nan 8.150 nan 0.000 0.442 62 A N -0.231 122.590 122.820 0.002 0.000 1.933 62 A HA -0.142 4.178 4.320 0.000 0.000 0.218 62 A C 1.970 179.579 177.584 0.042 0.000 1.175 62 A CA 2.157 54.206 52.037 0.020 0.000 0.628 62 A CB -0.413 18.608 19.000 0.035 0.000 0.814 62 A HN 0.566 nan 8.150 nan 0.000 0.444 63 E N -0.271 119.943 120.200 0.023 0.000 2.107 63 E HA -0.085 4.265 4.350 0.000 0.000 0.191 63 E C 1.910 178.540 176.600 0.050 0.000 0.982 63 E CA 1.894 58.337 56.400 0.072 0.000 0.809 63 E CB -0.617 29.122 29.700 0.066 0.000 0.756 63 E HN 0.466 nan 8.360 nan 0.000 0.459 64 T N 1.319 115.806 114.554 -0.112 0.000 2.708 64 T HA -0.138 4.212 4.350 0.000 0.000 0.266 64 T C 1.685 176.378 174.700 -0.012 0.000 1.037 64 T CA 1.312 63.346 62.100 -0.111 0.000 1.146 64 T CB -0.447 68.257 68.868 -0.274 0.000 0.865 64 T HN 0.187 nan 8.240 nan 0.000 0.435 65 L N 1.024 122.235 121.223 -0.020 0.000 1.989 65 L HA -0.128 4.212 4.340 0.000 0.000 0.211 65 L C 2.302 179.192 176.870 0.033 0.000 1.071 65 L CA 2.235 57.075 54.840 0.000 0.000 0.749 65 L CB -1.098 40.963 42.059 0.003 0.000 0.890 65 L HN 0.363 nan 8.230 nan 0.000 0.431 66 H N -1.593 117.478 119.070 0.002 0.000 2.352 66 H HA -0.264 4.292 4.556 0.000 0.000 0.299 66 H C 2.273 177.621 175.328 0.034 0.000 1.097 66 H CA 2.243 58.302 56.048 0.018 0.000 1.311 66 H CB -0.307 29.477 29.762 0.037 0.000 1.377 66 H HN 0.660 nan 8.280 nan 0.000 0.504 67 H N -0.060 118.955 119.070 -0.093 0.000 2.489 67 H HA -0.061 4.495 4.556 0.000 0.000 0.295 67 H C 2.075 177.295 175.328 -0.179 0.000 1.082 67 H CA 1.378 57.352 56.048 -0.124 0.000 1.295 67 H CB -0.299 29.471 29.762 0.012 0.000 1.380 67 H HN 0.406 nan 8.280 nan 0.000 0.548 68 L N -0.194 120.917 121.223 -0.188 0.000 2.265 68 L HA -0.182 4.158 4.340 0.000 0.000 0.215 68 L C 2.279 178.951 176.870 -0.331 0.000 1.117 68 L CA 1.259 55.956 54.840 -0.238 0.000 0.782 68 L CB -0.290 41.692 42.059 -0.129 0.000 0.914 68 L HN 0.295 nan 8.230 nan 0.000 0.441 69 K N -0.186 120.003 120.400 -0.351 0.000 2.002 69 K HA -0.132 4.188 4.320 0.000 0.000 0.209 69 K C 2.060 178.436 176.600 -0.374 0.000 1.048 69 K CA 1.227 57.322 56.287 -0.321 0.000 0.930 69 K CB -0.332 31.974 32.500 -0.323 0.000 0.714 69 K HN 0.027 nan 8.250 nan 0.000 0.438 70 V N 1.545 121.182 119.914 -0.461 0.000 2.392 70 V HA -0.268 3.852 4.120 0.000 0.000 0.249 70 V C 2.302 177.999 176.094 -0.662 0.000 1.059 70 V CA 2.001 64.029 62.300 -0.452 0.000 1.051 70 V CB -0.753 30.820 31.823 -0.418 0.000 0.658 70 V HN 0.398 nan 8.190 nan 0.000 0.455 71 A N -0.514 121.762 122.820 -0.906 0.000 2.024 71 A HA -0.281 4.039 4.320 0.000 0.000 0.220 71 A C 2.131 179.025 177.584 -1.150 0.000 1.164 71 A CA 1.923 53.081 52.037 -1.466 0.000 0.643 71 A CB -0.504 17.997 19.000 -0.833 0.000 0.806 71 A HN 0.649 nan 8.150 nan 0.000 0.451 72 E N -0.806 119.035 120.200 -0.599 0.000 2.209 72 E HA -0.145 4.205 4.350 0.000 0.000 0.196 72 E C 2.009 178.421 176.600 -0.313 0.000 0.993 72 E CA 0.669 56.853 56.400 -0.361 0.000 0.819 72 E CB -0.342 29.215 29.700 -0.239 0.000 0.745 72 E HN 0.658 nan 8.360 nan 0.000 0.477 73 G N 0.999 109.583 108.800 -0.361 0.000 2.470 73 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 73 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 73 G C 0.923 175.790 174.900 -0.055 0.000 1.121 73 G CA 0.523 45.513 45.100 -0.183 0.000 0.766 73 G HN 0.339 nan 8.290 nan 0.000 0.553 74 F N -1.592 118.330 119.950 -0.047 0.000 2.791 74 F HA 0.582 5.109 4.527 0.000 0.000 0.308 74 F C 1.223 177.008 175.800 -0.025 0.000 1.138 74 F CA -1.590 56.392 58.000 -0.029 0.000 1.294 74 F CB 0.066 39.054 39.000 -0.019 0.000 0.975 74 F HN 0.107 nan 8.300 nan 0.000 0.512 75 G N 0.850 109.702 108.800 0.087 0.000 2.213 75 G HA2 -0.278 3.683 3.960 0.000 0.000 0.236 75 G HA3 -0.278 3.683 3.960 0.000 0.000 0.236 75 G C -0.301 174.623 174.900 0.040 0.000 0.991 75 G CA -0.076 45.067 45.100 0.073 0.000 0.629 75 G HN 0.448 nan 8.290 nan 0.000 0.517 76 L N 2.034 123.256 121.223 -0.001 0.000 2.433 76 L HA 0.641 4.981 4.340 0.000 0.000 0.284 76 L C 0.753 177.571 176.870 -0.086 0.000 1.120 76 L CA 0.675 55.505 54.840 -0.017 0.000 0.879 76 L CB -0.383 41.668 42.059 -0.012 0.000 1.232 76 L HN 0.535 nan 8.230 nan 0.000 0.454 77 K N 4.213 124.587 120.400 -0.044 0.000 2.234 77 K HA 0.885 5.205 4.320 0.000 0.000 0.277 77 K C -0.320 176.253 176.600 -0.044 0.000 1.038 77 K CA 0.099 56.354 56.287 -0.053 0.000 0.888 77 K CB 1.013 33.491 32.500 -0.035 0.000 1.091 77 K HN 0.977 nan 8.250 nan 0.000 0.467 81 P HA 0.511 nan 4.420 nan 0.000 0.268 81 P C -0.276 177.007 177.300 -0.028 0.000 1.204 81 P CA 0.485 63.565 63.100 -0.034 0.000 0.768 81 P CB 1.214 32.889 31.700 -0.041 0.000 0.842 82 E N 2.660 122.844 120.200 -0.026 0.000 2.283 82 E HA 0.409 4.759 4.350 0.000 0.000 0.258 82 E C -1.525 175.061 176.600 -0.023 0.000 0.893 82 E CA -0.851 55.537 56.400 -0.021 0.000 0.798 82 E CB 1.268 30.958 29.700 -0.017 0.000 1.242 82 E HN 0.521 nan 8.360 nan 0.000 0.414 83 L N 2.527 123.737 121.223 -0.021 0.000 2.257 83 L HA 0.385 4.725 4.340 0.000 0.000 0.290 83 L C -0.318 176.543 176.870 -0.015 0.000 1.044 83 L CA -0.595 54.231 54.840 -0.024 0.000 0.810 83 L CB 1.740 43.784 42.059 -0.025 0.000 1.193 83 L HN 0.634 nan 8.230 nan 0.000 0.425 84 D N 4.826 125.218 120.400 -0.013 0.000 2.352 84 D HA 0.068 4.708 4.640 0.000 0.000 0.245 84 D C 1.190 177.493 176.300 0.005 0.000 1.224 84 D CA 0.038 54.036 54.000 -0.003 0.000 0.879 84 D CB 0.784 41.584 40.800 -0.002 0.000 1.057 84 D HN 0.634 nan 8.370 nan 0.000 0.491 85 L N 3.376 124.600 121.223 0.003 0.000 2.079 85 L HA -0.197 4.143 4.340 0.000 0.000 0.210 85 L C 2.280 179.160 176.870 0.017 0.000 1.081 85 L CA 0.934 55.776 54.840 0.004 0.000 0.752 85 L CB -0.327 41.729 42.059 -0.006 0.000 0.896 85 L HN 0.287 nan 8.230 nan 0.000 0.433 86 K N 0.871 121.281 120.400 0.017 0.000 2.057 86 K HA -0.198 4.122 4.320 0.000 0.000 0.206 86 K C 2.058 178.680 176.600 0.037 0.000 1.050 86 K CA 1.462 57.762 56.287 0.021 0.000 0.935 86 K CB -0.073 32.438 32.500 0.017 0.000 0.715 86 K HN -0.107 nan 8.250 nan 0.000 0.439 87 K N 0.139 120.562 120.400 0.039 0.000 2.057 87 K HA -0.055 4.265 4.320 0.000 0.000 0.207 87 K C 1.887 178.550 176.600 0.105 0.000 1.049 87 K CA 1.112 57.433 56.287 0.057 0.000 0.931 87 K CB -0.548 31.971 32.500 0.031 0.000 0.714 87 K HN 0.166 nan 8.250 nan 0.000 0.440 88 L N 0.121 121.401 121.223 0.095 0.000 2.042 88 L HA -0.021 4.319 4.340 0.000 0.000 0.210 88 L C 1.995 178.977 176.870 0.188 0.000 1.076 88 L CA 2.396 57.334 54.840 0.164 0.000 0.749 88 L CB -1.164 40.957 42.059 0.103 0.000 0.893 88 L HN 0.282 nan 8.230 nan 0.000 0.432 89 G N -1.180 107.678 108.800 0.097 0.000 2.418 89 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 89 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 89 G C 1.525 176.461 174.900 0.060 0.000 1.158 89 G CA 0.557 45.691 45.100 0.057 0.000 0.771 89 G HN 0.602 nan 8.290 nan 0.000 0.545 90 G N -0.041 108.809 108.800 0.083 0.000 2.440 90 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 90 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 90 G C 1.584 176.555 174.900 0.118 0.000 1.154 90 G CA 1.023 46.171 45.100 0.080 0.000 0.767 90 G HN 0.466 nan 8.290 nan 0.000 0.552 91 W N 1.462 122.760 121.300 -0.003 0.000 2.355 91 W HA -0.031 4.629 4.660 0.000 0.000 0.309 91 W C 2.705 179.224 176.519 0.000 0.000 1.206 91 W CA 1.541 58.887 57.345 0.002 0.000 1.284 91 W CB -0.296 29.171 29.460 0.011 0.000 1.145 91 W HN 0.127 nan 8.180 nan 0.000 0.502 92 R N 0.396 120.815 120.500 -0.136 0.000 2.091 92 R HA -0.203 4.137 4.340 0.000 0.000 0.238 92 R C 1.767 177.893 176.300 -0.290 0.000 1.136 92 R CA 2.286 58.179 56.100 -0.344 0.000 0.959 92 R CB -0.796 29.432 30.300 -0.119 0.000 0.856 92 R HN 0.112 nan 8.270 nan 0.000 0.437 93 D N 0.398 120.707 120.400 -0.152 0.000 2.117 93 D HA -0.169 4.471 4.640 0.000 0.000 0.197 93 D C 2.054 178.271 176.300 -0.140 0.000 0.987 93 D CA 1.238 55.166 54.000 -0.120 0.000 0.829 93 D CB -0.264 40.499 40.800 -0.062 0.000 0.961 93 D HN 0.436 nan 8.370 nan 0.000 0.460 94 Q N 0.279 119.992 119.800 -0.144 0.000 2.096 94 Q HA -0.105 4.235 4.340 0.000 0.000 0.204 94 Q C 2.434 178.322 176.000 -0.188 0.000 0.982 94 Q CA 0.913 56.642 55.803 -0.122 0.000 0.850 94 Q CB -0.040 28.665 28.738 -0.055 0.000 0.901 94 Q HN 0.143 nan 8.270 nan 0.000 0.422 95 V N 0.158 119.861 119.914 -0.353 0.000 2.295 95 V HA -0.251 3.869 4.120 0.000 0.000 0.246 95 V C 2.241 178.200 176.094 -0.226 0.000 1.049 95 V CA 1.505 63.595 62.300 -0.350 0.000 1.024 95 V CB -0.536 30.927 31.823 -0.599 0.000 0.648 95 V HN 0.195 nan 8.190 nan 0.000 0.447 96 V N 0.033 119.817 119.914 -0.217 0.000 2.233 96 V HA -0.358 3.762 4.120 0.000 0.000 0.247 96 V C 2.445 178.473 176.094 -0.110 0.000 1.050 96 V CA 2.642 64.854 62.300 -0.145 0.000 1.010 96 V CB -0.721 31.026 31.823 -0.127 0.000 0.637 96 V HN 0.578 nan 8.190 nan 0.000 0.444 97 K N 0.211 120.549 120.400 -0.102 0.000 2.044 97 K HA -0.302 4.018 4.320 0.000 0.000 0.210 97 K C 2.297 178.852 176.600 -0.076 0.000 1.049 97 K CA 2.297 58.538 56.287 -0.078 0.000 0.927 97 K CB -0.250 32.212 32.500 -0.065 0.000 0.713 97 K HN 0.387 nan 8.250 nan 0.000 0.443 98 K N 0.554 120.905 120.400 -0.082 0.000 2.032 98 K HA -0.155 4.165 4.320 0.000 0.000 0.209 98 K C 2.143 178.698 176.600 -0.076 0.000 1.048 98 K CA 1.650 57.895 56.287 -0.070 0.000 0.927 98 K CB -0.095 32.365 32.500 -0.067 0.000 0.712 98 K HN 0.177 nan 8.250 nan 0.000 0.441 99 L N 0.339 121.510 121.223 -0.086 0.000 2.072 99 L HA -0.137 4.203 4.340 0.000 0.000 0.205 99 L C 2.650 179.460 176.870 -0.100 0.000 1.079 99 L CA 1.663 56.452 54.840 -0.085 0.000 0.752 99 L CB -0.745 41.269 42.059 -0.076 0.000 0.906 99 L HN 0.453 nan 8.230 nan 0.000 0.436 100 T N -3.303 111.197 114.554 -0.091 0.000 2.867 100 T HA -0.080 4.270 4.350 0.000 0.000 0.268 100 T C 1.915 176.554 174.700 -0.101 0.000 1.057 100 T CA 0.964 63.007 62.100 -0.094 0.000 1.136 100 T CB -0.766 68.061 68.868 -0.069 0.000 0.874 100 T HN 0.372 nan 8.240 nan 0.000 0.466 101 G N 1.197 109.946 108.800 -0.085 0.000 2.408 101 G HA2 0.130 4.090 3.960 0.000 0.000 0.217 101 G HA3 0.130 4.090 3.960 0.000 0.000 0.217 101 G C 1.706 176.552 174.900 -0.091 0.000 1.150 101 G CA 0.543 45.597 45.100 -0.077 0.000 0.776 101 G HN 0.635 nan 8.290 nan 0.000 0.542 102 G N 0.548 109.287 108.800 -0.101 0.000 2.418 102 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 102 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 102 G C 1.773 176.575 174.900 -0.163 0.000 1.158 102 G CA 1.229 46.262 45.100 -0.112 0.000 0.771 102 G HN 0.313 nan 8.290 nan 0.000 0.545 103 V N 1.604 121.379 119.914 -0.231 0.000 2.295 103 V HA -0.085 4.036 4.120 0.000 0.000 0.246 103 V C 3.169 179.124 176.094 -0.232 0.000 1.049 103 V CA 2.026 64.110 62.300 -0.361 0.000 1.024 103 V CB -1.153 30.360 31.823 -0.518 0.000 0.648 103 V HN 0.436 nan 8.190 nan 0.000 0.447 104 G N -0.406 108.298 108.800 -0.159 0.000 2.476 104 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 104 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 104 G C 1.695 176.541 174.900 -0.090 0.000 1.164 104 G CA 1.687 46.723 45.100 -0.106 0.000 0.768 104 G HN 0.465 nan 8.290 nan 0.000 0.560 105 T N 1.237 115.738 114.554 -0.089 0.000 2.788 105 T HA -0.029 4.321 4.350 0.000 0.000 0.268 105 T C 2.425 177.081 174.700 -0.072 0.000 1.044 105 T CA 0.954 63.013 62.100 -0.070 0.000 1.139 105 T CB -0.167 68.663 68.868 -0.063 0.000 0.867 105 T HN 0.171 nan 8.240 nan 0.000 0.454 106 L N 0.153 121.316 121.223 -0.099 0.000 2.093 106 L HA 0.013 4.353 4.340 0.000 0.000 0.208 106 L C 2.403 179.227 176.870 -0.076 0.000 1.085 106 L CA 0.921 55.704 54.840 -0.094 0.000 0.755 106 L CB -0.537 41.443 42.059 -0.133 0.000 0.904 106 L HN 0.242 nan 8.230 nan 0.000 0.435 107 L N -0.138 121.035 121.223 -0.084 0.000 2.027 107 L HA -0.226 4.114 4.340 0.000 0.000 0.206 107 L C 2.693 179.540 176.870 -0.038 0.000 1.074 107 L CA 1.355 56.163 54.840 -0.055 0.000 0.745 107 L CB -0.442 41.583 42.059 -0.056 0.000 0.898 107 L HN 0.199 nan 8.230 nan 0.000 0.433 108 K N 0.333 120.709 120.400 -0.041 0.000 2.032 108 K HA -0.155 4.165 4.320 0.000 0.000 0.209 108 K C 1.928 178.515 176.600 -0.022 0.000 1.048 108 K CA 1.569 57.840 56.287 -0.027 0.000 0.927 108 K CB -0.426 32.058 32.500 -0.028 0.000 0.712 108 K HN 0.297 nan 8.250 nan 0.000 0.441 109 G N -0.018 108.764 108.800 -0.029 0.000 2.559 109 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 109 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 109 G C 1.040 175.928 174.900 -0.020 0.000 1.126 109 G CA 0.431 45.516 45.100 -0.024 0.000 0.778 109 G HN 0.328 nan 8.290 nan 0.000 0.543 110 N N 0.208 118.895 118.700 -0.021 0.000 2.236 110 N HA 0.093 4.833 4.740 0.000 0.000 0.196 110 N C 1.527 177.034 175.510 -0.004 0.000 1.114 110 N CA 0.691 53.732 53.050 -0.015 0.000 0.859 110 N CB 0.697 39.172 38.487 -0.021 0.000 0.982 110 N HN 0.325 nan 8.380 nan 0.000 0.493 111 G N 0.895 109.694 108.800 -0.001 0.000 2.147 111 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 111 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 111 G C -0.024 174.888 174.900 0.021 0.000 1.005 111 G CA 0.040 45.148 45.100 0.013 0.000 0.713 111 G HN 0.154 nan 8.290 nan 0.000 0.515 112 V N 0.533 120.451 119.914 0.006 0.000 2.509 112 V HA 0.452 4.572 4.120 0.000 0.000 0.284 112 V C 0.720 176.811 176.094 -0.003 0.000 1.047 112 V CA -0.487 61.813 62.300 0.001 0.000 0.952 112 V CB 1.843 33.656 31.823 -0.017 0.000 0.988 112 V HN 0.424 nan 8.190 nan 0.000 0.469 113 E N 3.474 123.672 120.200 -0.004 0.000 2.229 113 E HA 0.359 4.709 4.350 0.000 0.000 0.283 113 E C -1.209 175.352 176.600 -0.067 0.000 1.030 113 E CA -0.770 55.627 56.400 -0.004 0.000 0.836 113 E CB 1.384 31.124 29.700 0.066 0.000 1.068 113 E HN 0.506 nan 8.360 nan 0.000 0.401 114 L N 6.405 127.599 121.223 -0.048 0.000 2.272 114 L HA 0.354 4.694 4.340 0.000 0.000 0.289 114 L C -1.570 175.259 176.870 -0.069 0.000 1.032 114 L CA -0.601 54.199 54.840 -0.067 0.000 0.810 114 L CB 1.192 43.222 42.059 -0.048 0.000 1.205 114 L HN 0.509 nan 8.230 nan 0.000 0.422 115 L N 5.842 126.997 121.223 -0.113 0.000 2.298 115 L HA 0.586 4.926 4.340 0.000 0.000 0.284 115 L C -0.633 176.182 176.870 -0.091 0.000 1.013 115 L CA -0.350 54.423 54.840 -0.112 0.000 0.824 115 L CB 0.821 42.744 42.059 -0.226 0.000 1.221 115 L HN 0.507 nan 8.230 nan 0.000 0.418 116 R N 4.489 124.961 120.500 -0.046 0.000 2.216 116 R HA 0.797 5.137 4.340 0.000 0.000 0.332 116 R C 0.100 176.394 176.300 -0.010 0.000 1.056 116 R CA -0.134 55.951 56.100 -0.025 0.000 0.901 116 R CB 0.487 30.782 30.300 -0.009 0.000 1.039 116 R HN 0.918 nan 8.270 nan 0.000 0.456 117 G N 1.473 110.273 108.800 -0.000 0.000 2.313 117 G HA2 0.191 4.151 3.960 0.000 0.000 0.296 117 G HA3 0.191 4.151 3.960 0.000 0.000 0.296 117 G C -1.998 172.955 174.900 0.088 0.000 1.356 117 G CA -0.885 44.242 45.100 0.045 0.000 0.833 117 G HN 0.290 nan 8.290 nan 0.000 0.552 118 F N 1.971 121.901 119.950 -0.032 0.000 2.391 118 F HA 0.710 5.237 4.527 0.000 0.000 0.359 118 F C 0.629 176.412 175.800 -0.029 0.000 1.122 118 F CA -0.323 57.660 58.000 -0.029 0.000 1.120 118 F CB 1.051 40.041 39.000 -0.017 0.000 1.142 118 F HN 0.741 nan 8.300 nan 0.000 0.483 119 A N 7.245 129.772 122.820 -0.488 0.000 2.327 119 A HA 0.753 5.073 4.320 0.000 0.000 0.283 119 A C -0.332 176.986 177.584 -0.443 0.000 1.127 119 A CA -0.585 51.236 52.037 -0.360 0.000 0.810 119 A CB 0.556 19.379 19.000 -0.296 0.000 1.066 119 A HN 0.870 nan 8.150 nan 0.000 0.492 120 R N 1.005 121.399 120.500 -0.177 0.000 2.628 120 R HA 0.411 4.752 4.340 0.000 0.000 0.288 120 R C -1.638 174.636 176.300 -0.043 0.000 0.980 120 R CA -0.956 55.088 56.100 -0.093 0.000 0.891 120 R CB 1.863 32.182 30.300 0.031 0.000 1.188 120 R HN 0.569 nan 8.270 nan 0.000 0.450 121 L N 3.474 124.675 121.223 -0.037 0.000 2.385 121 L HA 0.105 4.445 4.340 0.000 0.000 0.281 121 L C 0.574 177.450 176.870 0.010 0.000 1.106 121 L CA 0.487 55.319 54.840 -0.013 0.000 0.856 121 L CB 1.393 43.442 42.059 -0.018 0.000 1.186 121 L HN 0.582 nan 8.230 nan 0.000 0.453 122 V N 3.853 123.781 119.914 0.023 0.000 2.795 122 V HA 0.413 4.533 4.120 0.000 0.000 0.243 122 V C 1.008 177.116 176.094 0.024 0.000 1.069 122 V CA 0.990 63.307 62.300 0.029 0.000 1.089 122 V CB 0.189 32.037 31.823 0.041 0.000 0.756 122 V HN 0.839 nan 8.190 nan 0.000 0.471 123 G N -1.254 107.561 108.800 0.024 0.000 2.766 123 G HA2 0.482 4.442 3.960 0.000 0.000 0.288 123 G HA3 0.482 4.442 3.960 0.000 0.000 0.288 123 G C -2.585 172.325 174.900 0.017 0.000 1.408 123 G CA -0.505 44.606 45.100 0.020 0.000 0.852 123 G HN -0.027 nan 8.290 nan 0.000 0.487 124 P HA 0.037 nan 4.420 nan 0.000 0.218 124 P C 0.744 178.054 177.300 0.017 0.000 1.149 124 P CA 1.151 64.254 63.100 0.006 0.000 0.817 124 P CB 0.311 32.011 31.700 0.001 0.000 0.785 125 K N -0.590 119.827 120.400 0.029 0.000 2.826 125 K HA 0.275 4.595 4.320 0.000 0.000 0.206 125 K C -0.207 176.430 176.600 0.062 0.000 1.116 125 K CA 0.013 56.328 56.287 0.046 0.000 1.045 125 K CB 1.163 33.690 32.500 0.045 0.000 0.758 125 K HN 0.242 nan 8.250 nan 0.000 0.465 126 E N 0.582 120.817 120.200 0.058 0.000 2.304 126 E HA 0.380 4.731 4.350 0.000 0.000 0.277 126 E C -1.430 175.215 176.600 0.076 0.000 0.898 126 E CA -0.638 55.808 56.400 0.076 0.000 0.764 126 E CB 1.925 31.660 29.700 0.059 0.000 1.216 126 E HN -0.185 nan 8.360 nan 0.000 0.419 127 V N 2.667 122.651 119.914 0.116 0.000 2.769 127 V HA 0.421 4.541 4.120 0.000 0.000 0.312 127 V C -0.671 175.521 176.094 0.163 0.000 1.061 127 V CA -0.875 61.482 62.300 0.095 0.000 0.931 127 V CB 1.875 33.723 31.823 0.042 0.000 1.010 127 V HN 0.744 nan 8.190 nan 0.000 0.433 128 E N 2.499 122.764 120.200 0.107 0.000 2.133 128 E HA 0.706 5.056 4.350 0.000 0.000 0.274 128 E C -1.195 175.475 176.600 0.117 0.000 0.930 128 E CA -0.171 56.312 56.400 0.138 0.000 0.770 128 E CB 1.576 31.333 29.700 0.094 0.000 1.104 128 E HN 0.454 nan 8.360 nan 0.000 0.403 135 G N -0.235 108.634 108.800 0.116 0.000 2.195 135 G HA2 -0.189 3.771 3.960 0.000 0.000 0.224 135 G HA3 -0.189 3.771 3.960 0.000 0.000 0.224 135 G C -0.071 174.879 174.900 0.085 0.000 0.990 135 G CA 0.245 45.397 45.100 0.087 0.000 0.639 135 G HN 0.472 nan 8.290 nan 0.000 0.514 136 E N 0.891 121.172 120.200 0.134 0.000 2.204 136 E HA 0.566 4.916 4.350 0.000 0.000 0.276 136 E C 0.196 176.835 176.600 0.064 0.000 0.974 136 E CA -0.703 55.728 56.400 0.051 0.000 0.815 136 E CB 1.129 30.838 29.700 0.015 0.000 1.119 136 E HN 0.206 nan 8.360 nan 0.000 0.393 137 R N 1.862 122.305 120.500 -0.095 0.000 2.404 137 R HA 0.411 4.751 4.340 0.000 0.000 0.291 137 R C -0.567 175.595 176.300 -0.230 0.000 1.025 137 R CA -0.512 55.574 56.100 -0.022 0.000 0.991 137 R CB 0.234 30.524 30.300 -0.016 0.000 1.053 137 R HN 0.458 nan 8.270 nan 0.000 0.479 138 Y N -1.078 119.267 120.300 0.075 0.000 2.442 138 Y HA 0.571 5.121 4.550 0.000 0.000 0.344 138 Y C 0.771 176.739 175.900 0.114 0.000 0.976 138 Y CA -0.854 57.325 58.100 0.132 0.000 1.040 138 Y CB 2.519 41.071 38.460 0.152 0.000 1.228 138 Y HN 0.722 nan 8.280 nan 0.000 0.451 139 G N 0.598 109.547 108.800 0.248 0.000 2.498 139 G HA2 0.862 4.823 3.960 0.000 0.000 0.312 139 G HA3 0.862 4.823 3.960 0.000 0.000 0.312 139 G C -1.556 173.469 174.900 0.207 0.000 1.230 139 G CA -0.757 44.445 45.100 0.170 0.000 0.968 139 G HN 0.900 nan 8.290 nan 0.000 0.481 140 A N 0.528 123.437 122.820 0.149 0.000 2.597 140 A HA 0.651 4.971 4.320 0.000 0.000 0.292 140 A C 0.367 178.012 177.584 0.102 0.000 1.057 140 A CA -0.506 51.619 52.037 0.148 0.000 0.674 140 A CB 1.164 20.269 19.000 0.175 0.000 1.278 140 A HN 0.496 nan 8.150 nan 0.000 0.416 141 K N 0.468 120.925 120.400 0.095 0.000 2.057 141 K HA 0.127 4.447 4.320 0.000 0.000 0.206 141 K C 0.516 177.172 176.600 0.094 0.000 1.050 141 K CA 1.991 58.326 56.287 0.080 0.000 0.935 141 K CB -0.031 32.514 32.500 0.075 0.000 0.715 141 K HN 0.521 nan 8.250 nan 0.000 0.439 142 S N -0.223 115.548 115.700 0.117 0.000 2.542 142 S HA 0.598 5.068 4.470 0.000 0.000 0.293 142 S C -0.842 173.842 174.600 0.140 0.000 1.089 142 S CA -0.928 57.367 58.200 0.159 0.000 0.961 142 S CB 1.662 64.996 63.200 0.223 0.000 1.062 142 S HN 0.012 nan 8.310 nan 0.000 0.483 143 L N 2.563 123.881 121.223 0.158 0.000 2.386 143 L HA 0.644 4.984 4.340 0.000 0.000 0.271 143 L C -1.123 175.849 176.870 0.170 0.000 0.993 143 L CA -0.638 54.270 54.840 0.112 0.000 0.819 143 L CB 1.597 43.692 42.059 0.060 0.000 1.294 143 L HN 0.516 nan 8.230 nan 0.000 0.414 144 I N 3.982 124.614 120.570 0.102 0.000 2.439 144 I HA 0.339 4.509 4.170 0.000 0.000 0.285 144 I C -0.629 175.513 176.117 0.042 0.000 1.021 144 I CA -0.460 60.904 61.300 0.107 0.000 1.091 144 I CB 1.996 40.027 38.000 0.052 0.000 1.242 144 I HN 0.365 nan 8.210 nan 0.000 0.439 145 L N 6.448 127.699 121.223 0.048 0.000 2.260 145 L HA 0.608 4.948 4.340 0.000 0.000 0.289 145 L C 0.481 177.355 176.870 0.006 0.000 1.057 145 L CA -0.248 54.596 54.840 0.007 0.000 0.811 145 L CB 1.156 43.218 42.059 0.004 0.000 1.184 145 L HN 0.721 nan 8.230 nan 0.000 0.429 146 A N 1.168 123.979 122.820 -0.015 0.000 3.365 146 A HA 0.287 4.607 4.320 0.000 0.000 0.258 146 A C 0.813 178.383 177.584 -0.023 0.000 0.964 146 A CA -0.287 51.742 52.037 -0.014 0.000 0.988 146 A CB -0.031 18.960 19.000 -0.015 0.000 1.193 146 A HN 0.738 nan 8.150 nan 0.000 0.508 147 T N -2.518 112.019 114.554 -0.029 0.000 3.148 147 T HA 0.428 4.778 4.350 0.000 0.000 0.253 147 T C 1.347 176.035 174.700 -0.019 0.000 1.134 147 T CA 1.007 63.087 62.100 -0.033 0.000 1.051 147 T CB -0.337 68.501 68.868 -0.049 0.000 0.959 147 T HN 2.086 nan 8.240 nan 0.000 0.525 148 G N 1.669 110.460 108.800 -0.015 0.000 2.575 148 G HA2 -0.087 3.873 3.960 0.000 0.000 0.267 148 G HA3 -0.087 3.873 3.960 0.000 0.000 0.267 148 G C -0.040 174.846 174.900 -0.023 0.000 1.264 148 G CA 0.125 45.219 45.100 -0.010 0.000 0.935 148 G HN 1.579 nan 8.290 nan 0.000 0.568 149 S N -0.940 114.750 115.700 -0.016 0.000 2.806 149 S HA 0.846 5.316 4.470 0.000 0.000 0.306 149 S C -0.606 173.982 174.600 -0.020 0.000 1.167 149 S CA 0.367 58.547 58.200 -0.033 0.000 0.847 149 S CB 2.428 65.618 63.200 -0.015 0.000 1.216 149 S HN 1.771 nan 8.310 nan 0.000 0.532 150 E N -0.825 119.362 120.200 -0.022 0.000 2.446 150 E HA 0.627 4.977 4.350 0.000 0.000 0.276 150 E C -3.353 173.247 176.600 -0.001 0.000 0.969 150 E CA -2.645 53.744 56.400 -0.019 0.000 0.800 150 E CB 1.059 30.746 29.700 -0.023 0.000 1.341 150 E HN 0.287 nan 8.360 nan 0.000 0.460 151 P HA -0.004 nan 4.420 nan 0.000 0.264 151 P C -0.782 176.598 177.300 0.133 0.000 1.193 151 P CA -0.302 62.819 63.100 0.036 0.000 0.763 151 P CB 0.253 31.899 31.700 -0.090 0.000 0.810 152 L N 3.508 124.828 121.223 0.161 0.000 2.367 152 L HA 0.219 4.559 4.340 0.000 0.000 0.275 152 L C 0.461 177.480 176.870 0.248 0.000 1.129 152 L CA -0.100 54.835 54.840 0.158 0.000 0.839 152 L CB -0.062 42.056 42.059 0.098 0.000 1.133 152 L HN 0.333 nan 8.230 nan 0.000 0.453 153 E N 3.109 123.431 120.200 0.204 0.000 2.313 153 E HA 0.427 4.777 4.350 0.000 0.000 0.272 153 E C -1.447 175.146 176.600 -0.012 0.000 1.038 153 E CA -0.647 55.817 56.400 0.106 0.000 0.863 153 E CB 1.202 30.978 29.700 0.127 0.000 1.060 153 E HN 0.580 nan 8.360 nan 0.000 0.402 154 L N 3.996 125.152 121.223 -0.112 0.000 2.333 154 L HA 0.338 4.678 4.340 0.000 0.000 0.280 154 L C -0.663 176.229 176.870 0.037 0.000 1.004 154 L CA -0.491 54.337 54.840 -0.021 0.000 0.820 154 L CB 1.319 43.364 42.059 -0.023 0.000 1.247 154 L HN 0.479 nan 8.230 nan 0.000 0.416 155 K N 4.238 124.669 120.400 0.052 0.000 2.491 155 K HA 0.303 4.623 4.320 0.000 0.000 0.279 155 K C 0.984 177.636 176.600 0.086 0.000 1.026 155 K CA 1.239 57.554 56.287 0.047 0.000 1.070 155 K CB 0.031 32.553 32.500 0.036 0.000 0.887 155 K HN 0.984 nan 8.250 nan 0.000 0.481 156 G N 3.831 112.623 108.800 -0.015 0.000 2.241 156 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 156 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 156 G C 0.067 174.731 174.900 -0.393 0.000 0.998 156 G CA 0.159 45.153 45.100 -0.177 0.000 0.621 156 G HN 0.591 nan 8.290 nan 0.000 0.519 157 F N 3.095 123.044 119.950 -0.002 0.000 2.542 157 F HA 0.378 4.905 4.527 0.000 0.000 0.323 157 F C -1.850 173.835 175.800 -0.191 0.000 1.411 157 F CA -1.808 56.172 58.000 -0.034 0.000 1.124 157 F CB 1.494 40.419 39.000 -0.126 0.000 1.331 157 F HN -0.069 nan 8.300 nan 0.000 0.560 158 P HA -0.040 nan 4.420 nan 0.000 0.268 158 P C -0.197 177.072 177.300 -0.052 0.000 1.204 158 P CA 0.087 63.142 63.100 -0.075 0.000 0.768 158 P CB 0.666 32.374 31.700 0.013 0.000 0.842 159 F N 2.045 122.064 119.950 0.115 0.000 2.602 159 F HA 0.418 4.945 4.527 0.000 0.000 0.367 159 F C 1.723 177.593 175.800 0.117 0.000 1.126 159 F CA 1.692 59.763 58.000 0.118 0.000 1.321 159 F CB -0.044 39.016 39.000 0.101 0.000 1.094 159 F HN 0.571 nan 8.300 nan 0.000 0.594 160 G N 1.754 110.759 108.800 0.343 0.000 2.494 160 G HA2 0.151 4.111 3.960 0.000 0.000 0.308 160 G HA3 0.151 4.111 3.960 0.000 0.000 0.308 160 G C 0.029 175.092 174.900 0.272 0.000 1.263 160 G CA -0.581 44.665 45.100 0.243 0.000 0.840 160 G HN 0.300 nan 8.290 nan 0.000 0.479 161 E N -0.035 120.295 120.200 0.216 0.000 2.204 161 E HA -0.084 4.266 4.350 0.000 0.000 0.195 161 E C 1.071 177.840 176.600 0.280 0.000 0.990 161 E CA 1.344 57.892 56.400 0.248 0.000 0.821 161 E CB 0.161 29.963 29.700 0.171 0.000 0.750 161 E HN 0.447 nan 8.360 nan 0.000 0.477 162 D N -0.598 119.882 120.400 0.134 0.000 2.417 162 D HA 0.041 4.681 4.640 0.000 0.000 0.207 162 D C 0.023 176.169 176.300 -0.256 0.000 1.075 162 D CA 0.155 54.112 54.000 -0.071 0.000 0.851 162 D CB 1.235 41.998 40.800 -0.062 0.000 0.976 162 D HN -0.095 nan 8.370 nan 0.000 0.505 163 V N 2.669 122.562 119.914 -0.035 0.000 2.313 163 V HA 0.208 4.328 4.120 0.000 0.000 0.278 163 V C -0.462 175.845 176.094 0.355 0.000 1.017 163 V CA -0.909 61.387 62.300 -0.006 0.000 0.823 163 V CB 1.057 32.891 31.823 0.018 0.000 1.010 163 V HN -0.003 nan 8.190 nan 0.000 0.443 164 W N 2.849 124.243 121.300 0.158 0.000 2.332 164 W HA 0.578 5.238 4.660 0.000 0.000 0.351 164 W C 0.255 176.937 176.519 0.273 0.000 1.195 164 W CA -1.120 56.331 57.345 0.176 0.000 1.334 164 W CB 0.788 30.271 29.460 0.037 0.000 1.206 164 W HN 0.669 nan 8.180 nan 0.000 0.637 165 D N -1.486 119.079 120.400 0.276 0.000 2.442 165 D HA 0.202 4.842 4.640 0.000 0.000 0.254 165 D C 1.069 177.404 176.300 0.058 0.000 1.069 165 D CA -0.455 53.572 54.000 0.045 0.000 1.017 165 D CB 0.499 40.934 40.800 -0.607 0.000 1.172 165 D HN 0.211 nan 8.370 nan 0.000 0.561 166 S N -0.505 115.212 115.700 0.030 0.000 2.383 166 S HA -0.216 4.254 4.470 0.000 0.000 0.229 166 S C 1.723 176.318 174.600 -0.009 0.000 1.030 166 S CA 1.718 59.939 58.200 0.036 0.000 1.002 166 S CB -1.180 62.040 63.200 0.034 0.000 0.829 166 S HN 0.606 nan 8.310 nan 0.000 0.467 167 T N 2.111 116.627 114.554 -0.064 0.000 2.708 167 T HA -0.072 4.278 4.350 0.000 0.000 0.266 167 T C 1.941 176.565 174.700 -0.126 0.000 1.037 167 T CA 1.776 63.822 62.100 -0.089 0.000 1.146 167 T CB -0.347 68.454 68.868 -0.112 0.000 0.865 167 T HN 0.479 nan 8.240 nan 0.000 0.435 168 R N 1.769 122.163 120.500 -0.177 0.000 2.092 168 R HA 0.183 4.523 4.340 0.000 0.000 0.231 168 R C 2.268 178.311 176.300 -0.428 0.000 1.119 168 R CA 1.509 57.402 56.100 -0.346 0.000 0.970 168 R CB -0.899 29.117 30.300 -0.473 0.000 0.864 168 R HN 0.317 nan 8.270 nan 0.000 0.440 169 A N 0.434 123.147 122.820 -0.177 0.000 2.070 169 A HA -0.032 4.288 4.320 0.000 0.000 0.220 169 A C 2.089 179.754 177.584 0.134 0.000 1.159 169 A CA 1.109 53.160 52.037 0.023 0.000 0.656 169 A CB -0.521 18.593 19.000 0.189 0.000 0.800 169 A HN 0.376 nan 8.150 nan 0.000 0.453 170 L N -0.834 120.404 121.223 0.025 0.000 2.201 170 L HA -0.101 4.239 4.340 0.000 0.000 0.212 170 L C 0.806 177.672 176.870 -0.008 0.000 1.105 170 L CA 0.923 55.782 54.840 0.032 0.000 0.775 170 L CB -0.262 41.789 42.059 -0.014 0.000 0.913 170 L HN 0.243 nan 8.230 nan 0.000 0.440 171 K N 0.875 121.229 120.400 -0.077 0.000 2.480 171 K HA 0.044 4.364 4.320 0.000 0.000 0.241 171 K C 1.362 177.919 176.600 -0.071 0.000 1.261 171 K CA -0.238 55.994 56.287 -0.091 0.000 1.193 171 K CB 0.336 32.750 32.500 -0.143 0.000 1.598 171 K HN 0.127 nan 8.250 nan 0.000 0.278 172 V N -0.929 118.962 119.914 -0.039 0.000 2.867 172 V HA -0.181 3.939 4.120 0.000 0.000 0.260 172 V C 1.237 177.312 176.094 -0.032 0.000 1.099 172 V CA 1.073 63.336 62.300 -0.062 0.000 1.122 172 V CB -0.614 31.114 31.823 -0.158 0.000 0.708 172 V HN 0.564 nan 8.190 nan 0.000 0.490 173 E N 2.526 122.711 120.200 -0.024 0.000 2.860 173 E HA 0.202 4.552 4.350 0.000 0.000 0.318 173 E C 0.494 177.093 176.600 -0.003 0.000 1.481 173 E CA 0.448 56.843 56.400 -0.009 0.000 1.613 173 E CB -0.472 29.226 29.700 -0.005 0.000 1.279 173 E HN 0.582 nan 8.360 nan 0.000 0.489 174 G N 1.868 110.712 108.800 0.074 0.000 2.319 174 G HA2 0.440 4.400 3.960 0.000 0.000 0.308 174 G HA3 0.440 4.400 3.960 0.000 0.000 0.308 174 G C -0.356 174.673 174.900 0.215 0.000 1.117 174 G CA -0.729 44.446 45.100 0.126 0.000 0.903 174 G HN 0.369 nan 8.290 nan 0.000 0.436 175 L N 4.875 126.206 121.223 0.179 0.000 2.265 175 L HA 0.315 4.655 4.340 0.000 0.000 0.288 175 L C -1.374 175.641 176.870 0.242 0.000 1.058 175 L CA -1.607 53.379 54.840 0.242 0.000 0.809 175 L CB 1.605 43.733 42.059 0.117 0.000 1.179 175 L HN 0.420 nan 8.230 nan 0.000 0.429 176 P HA 0.124 nan 4.420 nan 0.000 0.272 176 P C -0.231 177.135 177.300 0.110 0.000 1.223 176 P CA -0.452 62.736 63.100 0.146 0.000 0.784 176 P CB 1.356 33.071 31.700 0.025 0.000 0.923 177 K N 1.128 121.565 120.400 0.061 0.000 2.155 177 K HA -0.021 4.299 4.320 0.000 0.000 0.203 177 K C 0.678 177.297 176.600 0.030 0.000 1.052 177 K CA 1.056 57.371 56.287 0.047 0.000 0.948 177 K CB 0.062 32.580 32.500 0.030 0.000 0.728 177 K HN 0.456 nan 8.250 nan 0.000 0.448 178 R N 0.558 121.058 120.500 -0.001 0.000 2.574 178 R HA 0.380 4.720 4.340 0.000 0.000 0.288 178 R C -1.536 174.716 176.300 -0.080 0.000 1.004 178 R CA -0.659 55.423 56.100 -0.029 0.000 0.895 178 R CB 1.862 32.137 30.300 -0.041 0.000 1.191 178 R HN -0.094 nan 8.270 nan 0.000 0.444 179 L N 3.343 124.513 121.223 -0.087 0.000 2.386 179 L HA 0.565 4.905 4.340 0.000 0.000 0.271 179 L C -1.758 175.019 176.870 -0.155 0.000 0.993 179 L CA -0.955 53.783 54.840 -0.169 0.000 0.819 179 L CB 1.898 43.847 42.059 -0.184 0.000 1.294 179 L HN 0.578 nan 8.230 nan 0.000 0.414 180 L N 5.815 126.917 121.223 -0.201 0.000 2.313 180 L HA 0.705 5.045 4.340 0.000 0.000 0.283 180 L C -1.293 175.457 176.870 -0.199 0.000 1.013 180 L CA -0.257 54.477 54.840 -0.176 0.000 0.816 180 L CB 1.774 43.724 42.059 -0.181 0.000 1.236 180 L HN 0.414 nan 8.230 nan 0.000 0.419 181 V N 6.934 126.755 119.914 -0.154 0.000 2.384 181 V HA 0.435 4.555 4.120 0.000 0.000 0.287 181 V C 0.129 176.140 176.094 -0.139 0.000 1.020 181 V CA -0.393 61.825 62.300 -0.137 0.000 0.850 181 V CB 1.422 33.193 31.823 -0.087 0.000 0.987 181 V HN 0.609 nan 8.190 nan 0.000 0.436 182 I N 4.787 125.256 120.570 -0.168 0.000 2.307 182 I HA 0.727 4.897 4.170 0.000 0.000 0.289 182 I C 0.666 176.726 176.117 -0.095 0.000 1.021 182 I CA -0.007 61.190 61.300 -0.172 0.000 1.224 182 I CB 1.236 39.057 38.000 -0.298 0.000 1.376 182 I HN 0.843 nan 8.210 nan 0.000 0.470 183 G N 3.482 112.245 108.800 -0.061 0.000 3.088 183 G HA2 0.087 4.047 3.960 0.000 0.000 0.620 183 G HA3 0.087 4.047 3.960 0.000 0.000 0.620 183 G C -0.071 174.812 174.900 -0.027 0.000 1.375 183 G CA -0.532 44.550 45.100 -0.030 0.000 1.016 183 G HN 0.863 nan 8.290 nan 0.000 0.590 184 G N 0.363 109.148 108.800 -0.026 0.000 3.609 184 G HA2 0.628 4.589 3.960 0.000 0.000 0.280 184 G HA3 0.628 4.589 3.960 0.000 0.000 0.280 184 G C 0.847 175.714 174.900 -0.055 0.000 1.155 184 G CA 0.905 45.981 45.100 -0.041 0.000 0.876 184 G HN 1.193 nan 8.290 nan 0.000 0.535 185 G N -1.081 107.698 108.800 -0.034 0.000 2.537 185 G HA2 0.478 4.438 3.960 0.000 0.000 0.297 185 G HA3 0.478 4.438 3.960 0.000 0.000 0.297 185 G C 1.314 176.205 174.900 -0.015 0.000 1.310 185 G CA 0.232 45.310 45.100 -0.036 0.000 1.027 185 G HN 0.302 nan 8.290 nan 0.000 0.505 186 A N -1.184 121.641 122.820 0.008 0.000 1.948 186 A HA -0.055 4.265 4.320 0.000 0.000 0.220 186 A C 2.501 180.133 177.584 0.080 0.000 1.177 186 A CA 2.255 54.328 52.037 0.060 0.000 0.636 186 A CB -0.701 18.366 19.000 0.113 0.000 0.815 186 A HN 0.523 nan 8.150 nan 0.000 0.449 187 V N -0.293 119.663 119.914 0.069 0.000 2.270 187 V HA -0.151 3.969 4.120 0.000 0.000 0.245 187 V C 2.846 178.977 176.094 0.063 0.000 1.043 187 V CA 1.981 64.325 62.300 0.073 0.000 1.014 187 V CB -1.554 30.308 31.823 0.064 0.000 0.645 187 V HN 0.598 nan 8.190 nan 0.000 0.447 188 G N -0.213 108.611 108.800 0.039 0.000 2.418 188 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 188 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 188 G C 1.602 176.520 174.900 0.030 0.000 1.158 188 G CA 0.950 46.064 45.100 0.023 0.000 0.771 188 G HN 0.450 nan 8.290 nan 0.000 0.545 189 L N -0.009 121.232 121.223 0.029 0.000 2.027 189 L HA -0.042 4.298 4.340 0.000 0.000 0.206 189 L C 2.924 179.835 176.870 0.070 0.000 1.074 189 L CA 1.370 56.231 54.840 0.034 0.000 0.745 189 L CB -0.475 41.594 42.059 0.017 0.000 0.898 189 L HN 0.274 nan 8.230 nan 0.000 0.433 190 E N 0.227 120.485 120.200 0.096 0.000 2.047 190 E HA -0.202 4.148 4.350 0.000 0.000 0.191 190 E C 2.343 179.025 176.600 0.137 0.000 0.987 190 E CA 1.084 57.560 56.400 0.126 0.000 0.799 190 E CB -0.159 29.632 29.700 0.152 0.000 0.752 190 E HN 0.414 nan 8.360 nan 0.000 0.449 191 L N 0.499 121.806 121.223 0.140 0.000 2.141 191 L HA -0.082 4.258 4.340 0.000 0.000 0.209 191 L C 2.524 179.531 176.870 0.228 0.000 1.094 191 L CA 0.943 55.906 54.840 0.205 0.000 0.763 191 L CB -0.600 41.559 42.059 0.166 0.000 0.908 191 L HN 0.244 nan 8.230 nan 0.000 0.437 192 G N -0.655 108.220 108.800 0.124 0.000 2.433 192 G HA2 -0.343 3.617 3.960 0.000 0.000 0.216 192 G HA3 -0.343 3.617 3.960 0.000 0.000 0.216 192 G C 1.480 176.461 174.900 0.135 0.000 1.186 192 G CA 0.771 45.932 45.100 0.101 0.000 0.779 192 G HN 0.368 nan 8.290 nan 0.000 0.543 193 Q N -0.184 119.678 119.800 0.104 0.000 2.124 193 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 193 Q C 2.683 178.738 176.000 0.091 0.000 0.977 193 Q CA 1.505 57.352 55.803 0.074 0.000 0.850 193 Q CB -0.172 28.595 28.738 0.048 0.000 0.901 193 Q HN 0.302 nan 8.270 nan 0.000 0.429 194 V N 0.168 120.162 119.914 0.135 0.000 2.255 194 V HA -0.303 3.817 4.120 0.000 0.000 0.247 194 V C 1.849 177.979 176.094 0.060 0.000 1.051 194 V CA 2.135 64.495 62.300 0.100 0.000 1.018 194 V CB -0.793 31.105 31.823 0.126 0.000 0.641 194 V HN 0.474 nan 8.190 nan 0.000 0.445 195 Y N -0.066 120.273 120.300 0.064 0.000 2.274 195 Y HA -0.250 4.300 4.550 0.000 0.000 0.290 195 Y C 2.707 178.635 175.900 0.047 0.000 1.145 195 Y CA 2.004 60.146 58.100 0.069 0.000 1.203 195 Y CB -0.227 38.283 38.460 0.084 0.000 0.984 195 Y HN 0.133 nan 8.280 nan 0.000 0.533 196 R N 1.059 121.656 120.500 0.161 0.000 2.066 196 R HA -0.079 4.261 4.340 0.000 0.000 0.232 196 R C 1.974 178.307 176.300 0.055 0.000 1.131 196 R CA 1.560 57.715 56.100 0.091 0.000 0.955 196 R CB -0.396 29.940 30.300 0.061 0.000 0.851 196 R HN 0.184 nan 8.270 nan 0.000 0.432 197 R N -0.377 120.145 120.500 0.036 0.000 2.189 197 R HA -0.034 4.306 4.340 0.000 0.000 0.223 197 R C 1.219 177.534 176.300 0.024 0.000 1.092 197 R CA 0.807 56.927 56.100 0.032 0.000 0.989 197 R CB -0.189 30.120 30.300 0.015 0.000 0.876 197 R HN 0.139 nan 8.270 nan 0.000 0.457 198 L N -0.845 120.374 121.223 -0.006 0.000 2.591 198 L HA 0.184 4.524 4.340 0.000 0.000 0.228 198 L C 1.301 178.169 176.870 -0.004 0.000 1.133 198 L CA 1.145 55.964 54.840 -0.035 0.000 0.880 198 L CB 0.357 42.338 42.059 -0.131 0.000 1.033 198 L HN 0.440 nan 8.230 nan 0.000 0.450 199 G N -1.916 106.900 108.800 0.026 0.000 2.192 199 G HA2 -0.134 3.826 3.960 0.000 0.000 0.193 199 G HA3 -0.134 3.826 3.960 0.000 0.000 0.193 199 G C 0.487 175.420 174.900 0.055 0.000 0.999 199 G CA -0.068 45.054 45.100 0.037 0.000 0.659 199 G HN 0.590 nan 8.290 nan 0.000 0.503 200 A N 0.162 123.034 122.820 0.086 0.000 2.286 200 A HA 0.690 5.011 4.320 0.000 0.000 0.286 200 A C 0.306 177.936 177.584 0.076 0.000 1.097 200 A CA -0.230 51.870 52.037 0.105 0.000 0.821 200 A CB 0.539 19.657 19.000 0.197 0.000 1.076 200 A HN 0.185 nan 8.150 nan 0.000 0.490 201 E N 0.321 120.551 120.200 0.050 0.000 2.313 201 E HA 0.445 4.795 4.350 0.000 0.000 0.276 201 E C -0.977 175.636 176.600 0.021 0.000 1.031 201 E CA -0.076 56.340 56.400 0.027 0.000 0.857 201 E CB 1.468 31.172 29.700 0.008 0.000 1.040 201 E HN 0.285 nan 8.360 nan 0.000 0.408 202 V N 2.763 122.687 119.914 0.016 0.000 2.638 202 V HA 0.369 4.489 4.120 0.000 0.000 0.306 202 V C -0.181 175.903 176.094 -0.017 0.000 1.052 202 V CA -0.666 61.636 62.300 0.002 0.000 0.885 202 V CB 2.329 34.171 31.823 0.032 0.000 0.999 202 V HN 0.593 nan 8.190 nan 0.000 0.424 203 T N 5.876 120.406 114.554 -0.040 0.000 2.841 203 T HA 0.636 4.986 4.350 0.000 0.000 0.285 203 T C -0.841 173.824 174.700 -0.059 0.000 0.991 203 T CA -0.262 61.811 62.100 -0.046 0.000 0.966 203 T CB 1.382 70.218 68.868 -0.053 0.000 0.962 203 T HN 0.550 nan 8.240 nan 0.000 0.438 204 L N 5.784 126.977 121.223 -0.050 0.000 2.362 204 L HA 0.756 5.096 4.340 0.000 0.000 0.275 204 L C -0.963 175.873 176.870 -0.057 0.000 0.998 204 L CA -1.063 53.743 54.840 -0.056 0.000 0.820 204 L CB 0.885 42.920 42.059 -0.040 0.000 1.270 204 L HN 0.709 nan 8.230 nan 0.000 0.415 205 I N 1.237 121.766 120.570 -0.069 0.000 2.404 205 I HA 0.691 4.861 4.170 0.000 0.000 0.293 205 I C -0.988 175.104 176.117 -0.043 0.000 0.992 205 I CA -0.543 60.721 61.300 -0.060 0.000 1.149 205 I CB 1.880 39.837 38.000 -0.073 0.000 1.315 205 I HN 0.576 nan 8.210 nan 0.000 0.446 206 E N 4.368 124.551 120.200 -0.028 0.000 2.199 206 E HA 0.221 4.571 4.350 0.000 0.000 0.265 206 E C -0.450 176.168 176.600 0.030 0.000 0.882 206 E CA -0.694 55.708 56.400 0.003 0.000 0.759 206 E CB 1.350 31.041 29.700 -0.015 0.000 1.148 206 E HN 0.602 nan 8.360 nan 0.000 0.412 207 Y N 4.858 125.131 120.300 -0.045 0.000 2.181 207 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 207 Y C 0.641 176.523 175.900 -0.030 0.000 1.146 207 Y CA 1.360 59.440 58.100 -0.033 0.000 1.164 207 Y CB 0.246 38.689 38.460 -0.027 0.000 0.982 207 Y HN 0.470 nan 8.280 nan 0.000 0.515 208 M N 0.400 120.123 119.600 0.205 0.000 2.103 208 M HA 0.074 4.554 4.480 0.000 0.000 0.291 208 M C -1.207 175.092 176.300 -0.001 0.000 1.216 208 M CA -2.179 53.188 55.300 0.113 0.000 1.132 208 M CB -0.777 31.876 32.600 0.088 0.000 1.396 208 M HN -0.085 nan 8.290 nan 0.000 0.479 209 P HA -0.065 nan 4.420 nan 0.000 0.220 209 P C -0.247 177.032 177.300 -0.035 0.000 1.148 209 P CA 1.317 64.397 63.100 -0.033 0.000 0.803 209 P CB 0.355 32.041 31.700 -0.024 0.000 0.782 210 E N -1.110 119.069 120.200 -0.035 0.000 2.383 210 E HA 0.350 4.700 4.350 0.000 0.000 0.275 210 E C -0.461 176.099 176.600 -0.065 0.000 0.918 210 E CA -1.115 55.255 56.400 -0.050 0.000 0.764 210 E CB 0.952 30.620 29.700 -0.053 0.000 1.252 210 E HN -0.089 nan 8.360 nan 0.000 0.449 211 I N 0.394 120.914 120.570 -0.084 0.000 3.060 211 I HA 0.233 4.403 4.170 0.000 0.000 0.285 211 I C 0.341 176.350 176.117 -0.180 0.000 1.190 211 I CA -0.599 60.634 61.300 -0.111 0.000 1.363 211 I CB 0.198 38.130 38.000 -0.112 0.000 1.396 211 I HN 0.720 nan 8.210 nan 0.000 0.607 212 L N 1.650 122.747 121.223 -0.210 0.000 3.660 212 L HA -0.163 4.177 4.340 0.000 0.000 0.440 212 L C -1.246 175.492 176.870 -0.221 0.000 1.262 212 L CA -0.317 54.338 54.840 -0.308 0.000 0.837 212 L CB -1.699 39.977 42.059 -0.638 0.000 1.689 212 L HN 0.707 nan 8.230 nan 0.000 0.890 213 P HA -0.246 nan 4.420 nan 0.000 0.218 213 P C 1.182 178.449 177.300 -0.054 0.000 1.150 213 P CA 1.599 64.657 63.100 -0.070 0.000 0.841 213 P CB 0.222 31.904 31.700 -0.030 0.000 0.784 214 Q N -0.468 119.302 119.800 -0.049 0.000 2.451 214 Q HA 0.194 4.534 4.340 0.000 0.000 0.206 214 Q C 1.315 177.343 176.000 0.046 0.000 0.947 214 Q CA 0.549 56.355 55.803 0.005 0.000 0.937 214 Q CB -0.424 28.331 28.738 0.029 0.000 1.025 214 Q HN 0.276 nan 8.270 nan 0.000 0.511 215 G N -0.513 108.276 108.800 -0.019 0.000 2.552 215 G HA2 0.275 4.236 3.960 0.000 0.000 0.324 215 G HA3 0.275 4.236 3.960 0.000 0.000 0.324 215 G C -1.227 173.641 174.900 -0.054 0.000 1.217 215 G CA -0.767 44.397 45.100 0.106 0.000 0.989 215 G HN 0.111 nan 8.290 nan 0.000 0.490 216 D N 0.527 120.774 120.400 -0.254 0.000 2.502 216 D HA 0.046 4.686 4.640 0.000 0.000 0.249 216 D C -0.626 175.612 176.300 -0.102 0.000 1.188 216 D CA -0.964 52.756 54.000 -0.466 0.000 0.890 216 D CB 1.228 41.409 40.800 -1.031 0.000 1.140 216 D HN 0.022 nan 8.370 nan 0.000 0.505 217 P HA -0.176 nan 4.420 nan 0.000 0.218 217 P C 1.090 178.387 177.300 -0.005 0.000 1.149 217 P CA 0.954 64.025 63.100 -0.048 0.000 0.817 217 P CB 0.275 31.945 31.700 -0.049 0.000 0.785 218 E N 0.428 120.626 120.200 -0.004 0.000 2.017 218 E HA -0.149 4.201 4.350 0.000 0.000 0.193 218 E C 1.965 178.617 176.600 0.086 0.000 0.997 218 E CA 2.432 58.850 56.400 0.029 0.000 0.804 218 E CB -0.405 29.307 29.700 0.020 0.000 0.757 218 E HN 0.247 nan 8.360 nan 0.000 0.448 219 T N -1.185 113.461 114.554 0.154 0.000 2.915 219 T HA 0.017 4.367 4.350 0.000 0.000 0.269 219 T C 1.940 176.862 174.700 0.370 0.000 1.071 219 T CA 0.944 63.205 62.100 0.269 0.000 1.132 219 T CB -0.252 68.805 68.868 0.314 0.000 0.878 219 T HN 0.235 nan 8.240 nan 0.000 0.479 220 A N 1.791 124.781 122.820 0.282 0.000 1.930 220 A HA 0.387 4.707 4.320 0.000 0.000 0.217 220 A C 2.780 180.375 177.584 0.018 0.000 1.175 220 A CA 1.589 53.644 52.037 0.031 0.000 0.627 220 A CB -1.274 17.643 19.000 -0.139 0.000 0.815 220 A HN 0.686 nan 8.150 nan 0.000 0.443 221 A N -0.244 122.596 122.820 0.033 0.000 1.898 221 A HA 0.011 4.331 4.320 0.000 0.000 0.216 221 A C 2.132 179.740 177.584 0.040 0.000 1.181 221 A CA 1.337 53.385 52.037 0.018 0.000 0.620 221 A CB -0.578 18.430 19.000 0.013 0.000 0.819 221 A HN 0.456 nan 8.150 nan 0.000 0.442 222 L N -0.917 120.348 121.223 0.071 0.000 2.079 222 L HA -0.196 4.144 4.340 0.000 0.000 0.210 222 L C 2.557 179.477 176.870 0.083 0.000 1.081 222 L CA 1.275 56.160 54.840 0.076 0.000 0.752 222 L CB -0.485 41.629 42.059 0.093 0.000 0.896 222 L HN 0.510 nan 8.230 nan 0.000 0.433 223 L N 0.107 121.398 121.223 0.113 0.000 2.056 223 L HA -0.191 4.149 4.340 0.000 0.000 0.207 223 L C 2.689 179.587 176.870 0.047 0.000 1.078 223 L CA 1.653 56.555 54.840 0.103 0.000 0.749 223 L CB -0.615 41.523 42.059 0.132 0.000 0.901 223 L HN 0.126 nan 8.230 nan 0.000 0.433 224 R N -0.554 119.959 120.500 0.021 0.000 2.081 224 R HA -0.148 4.192 4.340 0.000 0.000 0.235 224 R C 2.404 178.711 176.300 0.012 0.000 1.131 224 R CA 1.623 57.725 56.100 0.003 0.000 0.960 224 R CB -0.207 30.085 30.300 -0.013 0.000 0.856 224 R HN 0.343 nan 8.270 nan 0.000 0.436 225 R N -0.246 120.265 120.500 0.019 0.000 2.148 225 R HA -0.021 4.319 4.340 0.000 0.000 0.227 225 R C 2.253 178.568 176.300 0.025 0.000 1.103 225 R CA 1.087 57.199 56.100 0.019 0.000 0.983 225 R CB -0.163 30.149 30.300 0.020 0.000 0.874 225 R HN 0.288 nan 8.270 nan 0.000 0.451 226 A N 0.841 123.681 122.820 0.035 0.000 1.897 226 A HA -0.102 4.218 4.320 0.000 0.000 0.215 226 A C 1.903 179.503 177.584 0.027 0.000 1.181 226 A CA 0.941 53.001 52.037 0.038 0.000 0.620 226 A CB -0.212 18.820 19.000 0.052 0.000 0.821 226 A HN 0.074 nan 8.150 nan 0.000 0.443 227 L N 0.363 121.598 121.223 0.021 0.000 2.056 227 L HA -0.118 4.222 4.340 0.000 0.000 0.207 227 L C 2.345 179.220 176.870 0.008 0.000 1.078 227 L CA 1.771 56.617 54.840 0.010 0.000 0.749 227 L CB -1.070 40.994 42.059 0.009 0.000 0.901 227 L HN 0.473 nan 8.230 nan 0.000 0.433 228 E N -0.658 119.548 120.200 0.009 0.000 2.204 228 E HA -0.260 4.090 4.350 0.000 0.000 0.194 228 E C 2.040 178.647 176.600 0.013 0.000 0.989 228 E CA 0.749 57.153 56.400 0.007 0.000 0.824 228 E CB -0.035 29.667 29.700 0.004 0.000 0.756 228 E HN 0.393 nan 8.360 nan 0.000 0.477 229 K N 1.194 121.605 120.400 0.019 0.000 2.283 229 K HA -0.117 4.203 4.320 0.000 0.000 0.202 229 K C 1.400 178.019 176.600 0.032 0.000 1.048 229 K CA 0.842 57.145 56.287 0.026 0.000 0.948 229 K CB 0.217 32.737 32.500 0.033 0.000 0.742 229 K HN 0.043 nan 8.250 nan 0.000 0.458 230 E N -0.963 119.253 120.200 0.026 0.000 2.476 230 E HA 0.042 4.393 4.350 0.000 0.000 0.191 230 E C 0.504 177.119 176.600 0.026 0.000 1.064 230 E CA 0.401 56.819 56.400 0.030 0.000 0.866 230 E CB 0.576 30.271 29.700 -0.007 0.000 0.952 230 E HN 0.546 nan 8.360 nan 0.000 0.492 231 G N 1.737 110.549 108.800 0.020 0.000 2.157 231 G HA2 -0.268 3.692 3.960 0.000 0.000 0.239 231 G HA3 -0.268 3.692 3.960 0.000 0.000 0.239 231 G C 0.251 175.157 174.900 0.011 0.000 0.982 231 G CA -0.284 44.826 45.100 0.016 0.000 0.650 231 G HN 0.236 nan 8.290 nan 0.000 0.527 232 I N 1.175 121.751 120.570 0.009 0.000 2.337 232 I HA 0.332 4.502 4.170 0.000 0.000 0.291 232 I C 0.895 177.011 176.117 -0.003 0.000 1.046 232 I CA -0.858 60.445 61.300 0.005 0.000 1.324 232 I CB 0.911 38.916 38.000 0.007 0.000 1.409 232 I HN 0.013 nan 8.210 nan 0.000 0.494 233 R N 6.005 126.499 120.500 -0.009 0.000 2.296 233 R HA 0.343 4.683 4.340 0.000 0.000 0.323 233 R C -1.254 175.033 176.300 -0.022 0.000 1.067 233 R CA -0.157 55.934 56.100 -0.015 0.000 0.946 233 R CB 0.497 30.786 30.300 -0.019 0.000 0.991 233 R HN 0.425 nan 8.270 nan 0.000 0.448 234 V N 6.908 126.809 119.914 -0.021 0.000 2.357 234 V HA 0.477 4.597 4.120 0.000 0.000 0.284 234 V C -0.128 175.947 176.094 -0.031 0.000 1.018 234 V CA -0.812 61.472 62.300 -0.027 0.000 0.841 234 V CB 1.384 33.193 31.823 -0.023 0.000 0.991 234 V HN 0.590 nan 8.190 nan 0.000 0.437 235 R N 3.164 123.641 120.500 -0.038 0.000 2.239 235 R HA 0.440 4.780 4.340 0.000 0.000 0.332 235 R C 0.318 176.590 176.300 -0.048 0.000 0.988 235 R CA -0.335 55.740 56.100 -0.042 0.000 0.859 235 R CB 1.379 31.652 30.300 -0.044 0.000 1.148 235 R HN 0.846 nan 8.270 nan 0.000 0.482 236 T N -1.399 113.126 114.554 -0.049 0.000 2.847 236 T HA 0.259 4.609 4.350 0.000 0.000 0.279 236 T C 0.266 174.917 174.700 -0.082 0.000 0.984 236 T CA -0.838 61.228 62.100 -0.056 0.000 0.988 236 T CB 0.985 69.824 68.868 -0.049 0.000 1.040 236 T HN 0.590 nan 8.240 nan 0.000 0.528 237 K N -0.201 120.133 120.400 -0.110 0.000 3.035 237 K HA -0.143 4.177 4.320 0.000 0.000 0.262 237 K C -0.445 176.030 176.600 -0.210 0.000 1.024 237 K CA 0.790 56.967 56.287 -0.183 0.000 0.748 237 K CB -2.318 30.102 32.500 -0.133 0.000 1.247 237 K HN 0.778 nan 8.250 nan 0.000 0.482 238 T N 0.412 114.857 114.554 -0.181 0.000 2.900 238 T HA 0.491 4.841 4.350 0.000 0.000 0.295 238 T C -0.719 173.921 174.700 -0.100 0.000 1.044 238 T CA -1.098 60.920 62.100 -0.136 0.000 0.995 238 T CB 2.074 70.895 68.868 -0.078 0.000 1.072 238 T HN 0.300 nan 8.240 nan 0.000 0.473 239 K N 0.175 120.544 120.400 -0.053 0.000 2.435 239 K HA 0.876 5.196 4.320 0.000 0.000 0.251 239 K C -1.263 175.366 176.600 0.047 0.000 0.954 239 K CA -1.204 55.113 56.287 0.050 0.000 0.820 239 K CB 2.195 34.791 32.500 0.160 0.000 1.292 239 K HN 0.579 nan 8.250 nan 0.000 0.436 240 A N 2.137 124.986 122.820 0.049 0.000 2.274 240 A HA 0.405 4.725 4.320 0.000 0.000 0.309 240 A C 0.568 178.331 177.584 0.299 0.000 1.226 240 A CA -0.861 51.242 52.037 0.109 0.000 0.853 240 A CB 0.897 19.812 19.000 -0.141 0.000 1.146 240 A HN 0.556 nan 8.150 nan 0.000 0.518 241 V N 2.412 122.493 119.914 0.279 0.000 2.599 241 V HA 0.363 4.483 4.120 0.000 0.000 0.245 241 V C 1.388 177.593 176.094 0.184 0.000 1.046 241 V CA 1.658 64.086 62.300 0.213 0.000 1.065 241 V CB -0.653 31.237 31.823 0.112 0.000 0.703 241 V HN 1.287 nan 8.190 nan 0.000 0.464 242 G N -1.218 107.681 108.800 0.165 0.000 2.322 242 G HA2 0.489 4.449 3.960 0.000 0.000 0.295 242 G HA3 0.489 4.449 3.960 0.000 0.000 0.295 242 G C -1.879 172.994 174.900 -0.046 0.000 1.369 242 G CA -0.049 44.921 45.100 -0.216 0.000 0.821 242 G HN 0.344 nan 8.290 nan 0.000 0.536 243 Y N -1.326 118.764 120.300 -0.349 0.000 2.705 243 Y HA 0.843 5.393 4.550 0.000 0.000 0.332 243 Y C -1.075 174.753 175.900 -0.120 0.000 1.221 243 Y CA -1.071 56.951 58.100 -0.131 0.000 1.059 243 Y CB 1.270 39.701 38.460 -0.049 0.000 1.298 243 Y HN 0.953 nan 8.280 nan 0.000 0.459 244 E N 0.957 121.051 120.200 -0.176 0.000 2.321 244 E HA 0.350 4.700 4.350 0.000 0.000 0.278 244 E C -1.897 174.724 176.600 0.035 0.000 0.902 244 E CA -1.270 54.961 56.400 -0.281 0.000 0.758 244 E CB 2.704 32.275 29.700 -0.214 0.000 1.213 244 E HN 0.665 nan 8.360 nan 0.000 0.426 245 K N 2.855 123.273 120.400 0.029 0.000 2.297 245 K HA 0.238 4.559 4.320 0.000 0.000 0.286 245 K C -0.825 175.785 176.600 0.017 0.000 1.053 245 K CA -0.136 56.224 56.287 0.122 0.000 0.940 245 K CB 0.686 33.267 32.500 0.135 0.000 1.019 245 K HN 0.492 nan 8.250 nan 0.000 0.475 246 K N 2.218 122.636 120.400 0.030 0.000 2.372 246 K HA 0.159 4.479 4.320 0.000 0.000 0.251 246 K C 0.564 177.182 176.600 0.031 0.000 1.055 246 K CA -0.908 55.355 56.287 -0.040 0.000 0.879 246 K CB 1.312 33.677 32.500 -0.225 0.000 1.384 246 K HN 0.503 nan 8.250 nan 0.000 0.465 247 K N 0.521 120.932 120.400 0.018 0.000 2.211 247 K HA -0.168 4.152 4.320 0.000 0.000 0.204 247 K C 0.668 177.306 176.600 0.064 0.000 1.047 247 K CA 2.261 58.570 56.287 0.037 0.000 0.935 247 K CB -0.033 32.481 32.500 0.024 0.000 0.728 247 K HN 0.606 nan 8.250 nan 0.000 0.452 248 D N -0.389 120.074 120.400 0.105 0.000 2.369 248 D HA 0.163 4.803 4.640 0.000 0.000 0.211 248 D C 0.796 177.161 176.300 0.108 0.000 1.077 248 D CA 0.500 54.564 54.000 0.108 0.000 0.842 248 D CB 0.775 41.650 40.800 0.124 0.000 0.947 248 D HN 0.387 nan 8.370 nan 0.000 0.509 249 G N -0.008 108.879 108.800 0.146 0.000 2.350 249 G HA2 0.157 4.117 3.960 0.000 0.000 0.282 249 G HA3 0.157 4.117 3.960 0.000 0.000 0.282 249 G C -1.776 173.253 174.900 0.215 0.000 1.314 249 G CA -0.877 44.294 45.100 0.118 0.000 0.915 249 G HN 0.114 nan 8.290 nan 0.000 0.499 250 L N 1.660 122.969 121.223 0.142 0.000 2.260 250 L HA 0.387 4.727 4.340 0.000 0.000 0.289 250 L C 0.074 177.082 176.870 0.229 0.000 1.057 250 L CA -0.668 54.305 54.840 0.222 0.000 0.811 250 L CB 0.851 42.942 42.059 0.052 0.000 1.184 250 L HN 0.481 nan 8.230 nan 0.000 0.429 251 H N 3.627 122.775 119.070 0.130 0.000 2.846 251 H HA 0.240 4.796 4.556 0.000 0.000 0.278 251 H C -0.493 174.922 175.328 0.146 0.000 1.117 251 H CA -0.569 55.536 56.048 0.095 0.000 1.406 251 H CB 1.304 31.100 29.762 0.056 0.000 1.445 251 H HN 0.293 nan 8.280 nan 0.000 0.469 252 V N 4.864 124.894 119.914 0.193 0.000 2.481 252 V HA 0.192 4.312 4.120 0.000 0.000 0.286 252 V C 0.558 176.750 176.094 0.163 0.000 1.042 252 V CA -0.715 61.725 62.300 0.233 0.000 0.928 252 V CB 1.865 33.811 31.823 0.204 0.000 0.986 252 V HN 0.676 nan 8.190 nan 0.000 0.462 253 R N 4.559 125.168 120.500 0.181 0.000 2.265 253 R HA 0.660 5.000 4.340 0.000 0.000 0.319 253 R C -1.376 174.998 176.300 0.123 0.000 1.006 253 R CA -0.458 55.713 56.100 0.119 0.000 0.880 253 R CB 0.705 31.060 30.300 0.091 0.000 1.077 253 R HN 0.696 nan 8.270 nan 0.000 0.454 254 L N 3.281 124.547 121.223 0.071 0.000 2.333 254 L HA 0.559 4.899 4.340 0.000 0.000 0.269 254 L C 0.208 177.094 176.870 0.027 0.000 1.010 254 L CA -0.644 54.224 54.840 0.047 0.000 0.818 254 L CB 2.185 44.253 42.059 0.015 0.000 1.306 254 L HN 0.797 nan 8.230 nan 0.000 0.430 255 E N -0.047 120.161 120.200 0.012 0.000 3.934 255 E HA 0.005 4.355 4.350 0.000 0.000 0.107 255 E C -0.170 176.406 176.600 -0.041 0.000 1.257 255 E CA -0.543 55.854 56.400 -0.005 0.000 0.763 255 E CB 0.134 29.840 29.700 0.010 0.000 1.941 255 E HN 0.632 nan 8.360 nan 0.000 0.517 256 E N 1.621 121.711 120.200 -0.184 0.000 2.676 256 E HA -0.291 4.059 4.350 0.000 0.000 0.287 256 E C 0.277 176.865 176.600 -0.021 0.000 1.421 256 E CA 1.565 57.930 56.400 -0.058 0.000 0.970 256 E CB -1.410 28.264 29.700 -0.044 0.000 0.878 256 E HN 0.655 nan 8.360 nan 0.000 0.474 257 G N -1.835 106.947 108.800 -0.029 0.000 2.675 257 G HA2 0.390 4.350 3.960 0.000 0.000 0.686 257 G HA3 0.390 4.350 3.960 0.000 0.000 0.686 257 G C 0.092 174.982 174.900 -0.016 0.000 1.215 257 G CA 0.067 45.163 45.100 -0.007 0.000 0.777 257 G HN 1.253 nan 8.290 nan 0.000 0.638 258 G N 0.126 108.921 108.800 -0.009 0.000 2.344 258 G HA2 0.583 4.543 3.960 0.000 0.000 0.282 258 G HA3 0.583 4.543 3.960 0.000 0.000 0.282 258 G C -0.913 173.984 174.900 -0.005 0.000 1.281 258 G CA -0.046 45.047 45.100 -0.011 0.000 0.877 258 G HN 0.927 nan 8.290 nan 0.000 0.494 259 E N 0.323 120.519 120.200 -0.007 0.000 2.384 259 E HA 0.428 4.778 4.350 0.000 0.000 0.266 259 E C 0.946 177.545 176.600 -0.000 0.000 1.012 259 E CA 0.446 56.844 56.400 -0.003 0.000 0.901 259 E CB 0.911 30.608 29.700 -0.004 0.000 0.967 259 E HN 0.861 nan 8.360 nan 0.000 0.435 260 G N 2.263 111.066 108.800 0.006 0.000 2.527 260 G HA2 0.240 4.200 3.960 0.000 0.000 0.248 260 G HA3 0.240 4.200 3.960 0.000 0.000 0.248 260 G C -0.392 174.514 174.900 0.010 0.000 1.231 260 G CA -0.332 44.775 45.100 0.012 0.000 0.838 260 G HN 0.407 nan 8.290 nan 0.000 0.570 261 E N -0.163 120.046 120.200 0.013 0.000 2.246 261 E HA 0.233 4.583 4.350 0.000 0.000 0.266 261 E C -0.879 175.732 176.600 0.019 0.000 0.880 261 E CA -0.485 55.921 56.400 0.009 0.000 0.762 261 E CB 2.570 32.269 29.700 -0.001 0.000 1.180 261 E HN 0.607 nan 8.360 nan 0.000 0.416 262 E N 2.933 123.143 120.200 0.017 0.000 2.179 262 E HA 0.525 4.875 4.350 0.000 0.000 0.275 262 E C -1.619 174.973 176.600 -0.014 0.000 0.945 262 E CA -0.744 55.670 56.400 0.023 0.000 0.792 262 E CB 1.844 31.570 29.700 0.044 0.000 1.125 262 E HN 0.225 nan 8.360 nan 0.000 0.397 263 V N 4.217 124.116 119.914 -0.026 0.000 3.078 263 V HA 0.539 4.660 4.120 0.000 0.000 0.311 263 V C -1.413 174.610 176.094 -0.119 0.000 1.138 263 V CA -0.610 61.651 62.300 -0.066 0.000 1.007 263 V CB 2.350 34.147 31.823 -0.045 0.000 1.045 263 V HN 0.561 nan 8.190 nan 0.000 0.432 264 V N 5.605 125.420 119.914 -0.165 0.000 2.487 264 V HA 0.742 4.862 4.120 0.000 0.000 0.298 264 V C -0.211 175.813 176.094 -0.117 0.000 1.028 264 V CA -0.241 61.932 62.300 -0.211 0.000 0.860 264 V CB 1.468 33.084 31.823 -0.346 0.000 0.991 264 V HN 0.944 nan 8.190 nan 0.000 0.427 265 V N 0.655 120.516 119.914 -0.089 0.000 3.158 265 V HA 0.684 4.804 4.120 0.000 0.000 0.311 265 V C 0.014 176.057 176.094 -0.085 0.000 1.181 265 V CA -0.600 61.645 62.300 -0.091 0.000 1.054 265 V CB 2.506 34.256 31.823 -0.121 0.000 1.085 265 V HN 0.611 nan 8.190 nan 0.000 0.446 266 D N -0.259 120.078 120.400 -0.106 0.000 2.338 266 D HA 0.216 4.856 4.640 0.000 0.000 0.208 266 D C 0.075 176.256 176.300 -0.199 0.000 0.997 266 D CA 0.668 54.609 54.000 -0.099 0.000 0.880 266 D CB 0.573 41.338 40.800 -0.058 0.000 0.980 266 D HN 0.449 nan 8.370 nan 0.000 0.509 267 K N 0.590 120.796 120.400 -0.323 0.000 2.532 267 K HA 0.489 4.809 4.320 0.000 0.000 0.265 267 K C -1.007 175.271 176.600 -0.537 0.000 0.948 267 K CA -0.726 55.213 56.287 -0.579 0.000 0.842 267 K CB 3.219 35.095 32.500 -1.040 0.000 1.392 267 K HN -0.252 nan 8.250 nan 0.000 0.436 268 V N 2.125 121.701 119.914 -0.563 0.000 2.604 268 V HA 0.437 4.558 4.120 0.000 0.000 0.305 268 V C -0.910 174.979 176.094 -0.342 0.000 1.043 268 V CA -1.015 61.045 62.300 -0.400 0.000 0.888 268 V CB 1.914 33.546 31.823 -0.317 0.000 0.995 268 V HN 0.601 nan 8.190 nan 0.000 0.429 269 L N 6.227 127.310 121.223 -0.233 0.000 2.319 269 L HA 0.664 5.004 4.340 0.000 0.000 0.281 269 L C -0.575 176.271 176.870 -0.041 0.000 1.005 269 L CA -0.032 54.774 54.840 -0.057 0.000 0.828 269 L CB 1.683 43.708 42.059 -0.057 0.000 1.227 269 L HN 0.421 nan 8.230 nan 0.000 0.415 270 V N 5.504 125.464 119.914 0.077 0.000 2.348 270 V HA 0.696 4.816 4.120 0.000 0.000 0.270 270 V C 0.626 176.799 176.094 0.132 0.000 1.037 270 V CA 0.135 62.458 62.300 0.038 0.000 0.872 270 V CB 0.851 32.662 31.823 -0.021 0.000 1.002 270 V HN 0.941 nan 8.190 nan 0.000 0.464 271 A N 4.362 127.212 122.820 0.049 0.000 3.355 271 A HA 0.512 4.832 4.320 0.000 0.000 0.290 271 A C 0.516 178.121 177.584 0.035 0.000 0.973 271 A CA -0.056 52.019 52.037 0.064 0.000 0.933 271 A CB 0.717 19.745 19.000 0.046 0.000 1.138 271 A HN 0.986 nan 8.150 nan 0.000 0.490 272 V N -2.624 117.312 119.914 0.038 0.000 3.649 272 V HA 0.627 4.747 4.120 0.000 0.000 0.275 272 V C 0.822 176.934 176.094 0.029 0.000 1.281 272 V CA 0.563 62.872 62.300 0.015 0.000 1.143 272 V CB -0.857 30.962 31.823 -0.007 0.000 0.892 272 V HN 1.505 nan 8.190 nan 0.000 0.441 273 G N 0.082 108.915 108.800 0.054 0.000 2.350 273 G HA2 0.336 4.296 3.960 0.000 0.000 0.282 273 G HA3 0.336 4.296 3.960 0.000 0.000 0.282 273 G C -1.514 173.431 174.900 0.076 0.000 1.314 273 G CA -0.891 44.245 45.100 0.060 0.000 0.915 273 G HN 0.307 nan 8.290 nan 0.000 0.499 274 R N -0.289 120.261 120.500 0.082 0.000 2.808 274 R HA 0.666 5.006 4.340 0.000 0.000 0.272 274 R C -0.973 175.359 176.300 0.053 0.000 0.995 274 R CA -0.915 55.227 56.100 0.070 0.000 0.917 274 R CB 2.382 32.727 30.300 0.074 0.000 1.217 274 R HN 0.731 nan 8.270 nan 0.000 0.471 275 K N 2.746 123.142 120.400 -0.007 0.000 2.376 275 K HA 0.414 4.734 4.320 0.000 0.000 0.257 275 K C -2.408 174.079 176.600 -0.189 0.000 0.939 275 K CA -1.862 54.369 56.287 -0.094 0.000 0.809 275 K CB 2.040 34.512 32.500 -0.048 0.000 1.121 275 K HN 0.214 nan 8.250 nan 0.000 0.425 276 P HA 0.052 nan 4.420 nan 0.000 0.271 276 P C -1.061 176.101 177.300 -0.230 0.000 1.216 276 P CA -0.078 62.770 63.100 -0.421 0.000 0.771 276 P CB 0.568 31.738 31.700 -0.883 0.000 0.864 277 R N 1.957 122.379 120.500 -0.130 0.000 3.266 277 R HA 0.179 4.519 4.340 0.000 0.000 0.224 277 R C 0.902 177.171 176.300 -0.052 0.000 1.525 277 R CA 0.036 56.099 56.100 -0.061 0.000 1.364 277 R CB -0.477 29.815 30.300 -0.014 0.000 1.276 277 R HN 0.547 nan 8.270 nan 0.000 0.660 278 T N -3.102 111.410 114.554 -0.070 0.000 3.040 278 T HA 0.139 4.490 4.350 0.000 0.000 0.266 278 T C 0.448 175.137 174.700 -0.018 0.000 1.005 278 T CA -0.380 61.690 62.100 -0.050 0.000 0.906 278 T CB 0.430 69.253 68.868 -0.074 0.000 1.082 278 T HN 0.279 nan 8.240 nan 0.000 0.531 279 E N 1.160 121.358 120.200 -0.003 0.000 2.319 279 E HA 0.491 4.841 4.350 0.000 0.000 0.268 279 E C 0.806 177.443 176.600 0.062 0.000 1.050 279 E CA -0.314 56.097 56.400 0.019 0.000 0.878 279 E CB 0.704 30.410 29.700 0.010 0.000 1.066 279 E HN 0.353 nan 8.360 nan 0.000 0.406 280 G N 1.714 110.551 108.800 0.061 0.000 2.305 280 G HA2 -0.258 3.702 3.960 0.000 0.000 0.287 280 G HA3 -0.258 3.702 3.960 0.000 0.000 0.287 280 G C 0.269 175.254 174.900 0.141 0.000 1.036 280 G CA 0.326 45.486 45.100 0.100 0.000 0.887 280 G HN 0.381 nan 8.290 nan 0.000 0.505 281 L N -0.695 120.568 121.223 0.068 0.000 2.701 281 L HA 0.535 4.875 4.340 0.000 0.000 0.238 281 L C 1.970 178.844 176.870 0.006 0.000 1.106 281 L CA 1.582 56.431 54.840 0.015 0.000 0.898 281 L CB 0.258 42.301 42.059 -0.027 0.000 1.188 281 L HN 1.332 nan 8.230 nan 0.000 0.508 282 G N -0.333 108.480 108.800 0.021 0.000 2.171 282 G HA2 -0.262 3.698 3.960 0.000 0.000 0.238 282 G HA3 -0.262 3.698 3.960 0.000 0.000 0.238 282 G C 0.886 175.789 174.900 0.005 0.000 1.039 282 G CA 0.551 45.660 45.100 0.016 0.000 0.759 282 G HN 0.313 nan 8.290 nan 0.000 0.501 283 L N -0.542 120.681 121.223 0.001 0.000 2.068 283 L HA 0.104 4.444 4.340 0.000 0.000 0.204 283 L C 2.522 179.392 176.870 -0.000 0.000 1.076 283 L CA 1.676 56.514 54.840 -0.004 0.000 0.753 283 L CB -0.251 41.804 42.059 -0.007 0.000 0.910 283 L HN 0.469 nan 8.230 nan 0.000 0.439 284 E N 0.650 120.851 120.200 0.003 0.000 2.338 284 E HA -0.192 4.158 4.350 0.000 0.000 0.197 284 E C 1.863 178.466 176.600 0.004 0.000 1.007 284 E CA 0.801 57.203 56.400 0.004 0.000 0.849 284 E CB 0.263 29.966 29.700 0.005 0.000 0.774 284 E HN 0.439 nan 8.360 nan 0.000 0.506 285 K N -0.190 120.213 120.400 0.006 0.000 2.067 285 K HA 0.081 4.401 4.320 0.000 0.000 0.203 285 K C 1.970 178.572 176.600 0.004 0.000 1.048 285 K CA 0.871 57.162 56.287 0.007 0.000 0.954 285 K CB 0.096 32.602 32.500 0.011 0.000 0.737 285 K HN 0.018 nan 8.250 nan 0.000 0.444 286 A N 0.588 123.410 122.820 0.002 0.000 2.235 286 A HA 0.189 4.509 4.320 0.000 0.000 0.208 286 A C 1.463 179.044 177.584 -0.005 0.000 1.172 286 A CA 0.948 52.984 52.037 -0.001 0.000 0.786 286 A CB -0.515 18.483 19.000 -0.002 0.000 0.804 286 A HN 0.471 nan 8.150 nan 0.000 0.479 287 G N -1.893 106.905 108.800 -0.004 0.000 2.175 287 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 287 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 287 G C 0.215 175.109 174.900 -0.010 0.000 0.982 287 G CA 0.074 45.170 45.100 -0.007 0.000 0.641 287 G HN 0.771 nan 8.290 nan 0.000 0.527 288 V N 2.266 122.173 119.914 -0.011 0.000 2.421 288 V HA 0.289 4.409 4.120 0.000 0.000 0.271 288 V C 0.893 176.984 176.094 -0.005 0.000 1.031 288 V CA 0.310 62.602 62.300 -0.012 0.000 1.032 288 V CB 0.800 32.614 31.823 -0.014 0.000 1.009 288 V HN 0.356 nan 8.190 nan 0.000 0.477 289 K N 3.884 124.283 120.400 -0.002 0.000 2.118 289 K HA 0.708 5.028 4.320 0.000 0.000 0.264 289 K C -0.258 176.351 176.600 0.015 0.000 1.000 289 K CA -0.494 55.796 56.287 0.005 0.000 0.929 289 K CB 1.880 34.383 32.500 0.005 0.000 1.021 289 K HN 0.600 nan 8.250 nan 0.000 0.463 290 V N -1.890 118.037 119.914 0.021 0.000 3.141 290 V HA 0.461 4.581 4.120 0.000 0.000 0.312 290 V C -0.822 175.301 176.094 0.047 0.000 1.157 290 V CA -1.028 61.295 62.300 0.039 0.000 1.041 290 V CB 1.794 33.632 31.823 0.024 0.000 1.071 290 V HN 0.903 nan 8.190 nan 0.000 0.441 291 D N 0.262 120.710 120.400 0.081 0.000 2.511 291 D HA 0.254 4.894 4.640 0.000 0.000 0.276 291 D C 1.108 177.450 176.300 0.071 0.000 1.220 291 D CA 0.134 54.180 54.000 0.077 0.000 1.077 291 D CB 0.239 41.098 40.800 0.098 0.000 1.126 291 D HN 0.723 nan 8.370 nan 0.000 0.583 292 E N 0.150 120.389 120.200 0.065 0.000 2.265 292 E HA -0.234 4.116 4.350 0.000 0.000 0.196 292 E C 1.381 178.021 176.600 0.065 0.000 0.996 292 E CA 1.004 57.435 56.400 0.052 0.000 0.832 292 E CB -0.289 29.436 29.700 0.041 0.000 0.756 292 E HN 0.510 nan 8.360 nan 0.000 0.491 293 R N -0.411 120.162 120.500 0.122 0.000 2.312 293 R HA 0.203 4.543 4.340 0.000 0.000 0.205 293 R C 1.148 177.453 176.300 0.009 0.000 0.904 293 R CA 0.496 56.680 56.100 0.139 0.000 1.052 293 R CB 0.524 31.034 30.300 0.350 0.000 1.014 293 R HN 0.371 nan 8.270 nan 0.000 0.503 294 G N 0.406 109.210 108.800 0.008 0.000 2.159 294 G HA2 -0.254 3.706 3.960 0.000 0.000 0.227 294 G HA3 -0.254 3.706 3.960 0.000 0.000 0.227 294 G C -0.079 174.720 174.900 -0.170 0.000 0.986 294 G CA -0.601 44.436 45.100 -0.105 0.000 0.651 294 G HN 0.161 nan 8.290 nan 0.000 0.523 295 F N 1.149 121.095 119.950 -0.008 0.000 2.427 295 F HA 0.550 5.077 4.527 0.000 0.000 0.352 295 F C 1.454 177.245 175.800 -0.015 0.000 1.100 295 F CA -0.686 57.306 58.000 -0.014 0.000 1.191 295 F CB 0.702 39.690 39.000 -0.020 0.000 1.128 295 F HN -0.016 nan 8.300 nan 0.000 0.533 296 I N 5.139 125.795 120.570 0.143 0.000 2.598 296 I HA 0.037 4.207 4.170 0.000 0.000 0.284 296 I C 0.395 176.561 176.117 0.080 0.000 1.140 296 I CA -0.247 61.100 61.300 0.078 0.000 1.420 296 I CB 0.196 38.225 38.000 0.047 0.000 1.387 296 I HN 0.366 nan 8.210 nan 0.000 0.553 297 R N 6.491 127.021 120.500 0.049 0.000 2.401 297 R HA 0.368 4.708 4.340 0.000 0.000 0.299 297 R C -0.438 175.871 176.300 0.015 0.000 1.064 297 R CA -0.208 55.910 56.100 0.029 0.000 1.000 297 R CB 0.608 30.919 30.300 0.018 0.000 0.973 297 R HN 0.558 nan 8.270 nan 0.000 0.438 298 V N -0.415 119.504 119.914 0.009 0.000 3.130 298 V HA 0.557 4.677 4.120 0.000 0.000 0.310 298 V C -0.392 175.705 176.094 0.005 0.000 1.158 298 V CA -1.353 60.953 62.300 0.010 0.000 1.029 298 V CB 2.240 34.079 31.823 0.025 0.000 1.057 298 V HN 0.790 nan 8.190 nan 0.000 0.436 299 N N 1.470 120.181 118.700 0.018 0.000 2.681 299 N HA 0.660 5.400 4.740 0.000 0.000 0.311 299 N C 0.975 176.510 175.510 0.041 0.000 1.303 299 N CA -0.174 52.888 53.050 0.021 0.000 0.926 299 N CB 0.732 39.233 38.487 0.023 0.000 1.136 299 N HN 1.004 nan 8.380 nan 0.000 0.592 300 A N -0.656 122.194 122.820 0.051 0.000 2.070 300 A HA -0.072 4.248 4.320 0.000 0.000 0.220 300 A C 1.825 179.487 177.584 0.130 0.000 1.159 300 A CA 0.967 53.055 52.037 0.085 0.000 0.656 300 A CB -0.651 18.394 19.000 0.075 0.000 0.800 300 A HN 0.632 nan 8.150 nan 0.000 0.453 301 R N -1.668 118.906 120.500 0.122 0.000 2.310 301 R HA 0.153 4.493 4.340 0.000 0.000 0.202 301 R C 0.057 176.493 176.300 0.227 0.000 0.933 301 R CA 0.322 56.521 56.100 0.165 0.000 1.054 301 R CB 0.079 30.476 30.300 0.162 0.000 0.985 301 R HN 0.348 nan 8.270 nan 0.000 0.489 302 M N -0.556 119.154 119.600 0.183 0.000 2.939 302 M HA -0.190 4.290 4.480 0.000 0.000 0.202 302 M C -0.936 175.517 176.300 0.255 0.000 0.592 302 M CA 0.951 56.372 55.300 0.202 0.000 0.749 302 M CB -2.419 30.311 32.600 0.217 0.000 2.692 302 M HN 0.189 nan 8.290 nan 0.000 0.382 303 E N 1.411 121.696 120.200 0.142 0.000 2.259 303 E HA 0.373 4.723 4.350 0.000 0.000 0.281 303 E C 1.086 177.637 176.600 -0.082 0.000 1.037 303 E CA 0.264 56.608 56.400 -0.094 0.000 0.854 303 E CB 1.018 30.644 29.700 -0.123 0.000 1.051 303 E HN 0.423 nan 8.360 nan 0.000 0.409 304 T N -0.573 113.902 114.554 -0.132 0.000 2.729 304 T HA 0.017 4.367 4.350 0.000 0.000 0.298 304 T C 1.414 176.069 174.700 -0.075 0.000 1.013 304 T CA -0.170 61.887 62.100 -0.071 0.000 0.957 304 T CB 0.934 69.765 68.868 -0.061 0.000 1.130 304 T HN 0.406 nan 8.240 nan 0.000 0.526 305 S N -1.109 114.563 115.700 -0.046 0.000 2.547 305 S HA 0.069 4.539 4.470 0.000 0.000 0.235 305 S C 0.528 175.098 174.600 -0.050 0.000 0.980 305 S CA -0.201 57.976 58.200 -0.039 0.000 0.941 305 S CB -0.528 62.659 63.200 -0.022 0.000 0.763 305 S HN 0.579 nan 8.310 nan 0.000 0.532 306 V N 3.333 123.205 119.914 -0.070 0.000 2.350 306 V HA 0.402 4.522 4.120 0.000 0.000 0.285 306 V C -2.629 173.394 176.094 -0.117 0.000 1.014 306 V CA -2.304 59.953 62.300 -0.072 0.000 0.831 306 V CB 1.276 33.068 31.823 -0.053 0.000 1.000 306 V HN 0.072 nan 8.190 nan 0.000 0.433 307 P HA 0.147 nan 4.420 nan 0.000 0.260 307 P C 1.071 178.287 177.300 -0.139 0.000 1.172 307 P CA 1.685 64.708 63.100 -0.128 0.000 0.760 307 P CB 0.478 32.138 31.700 -0.067 0.000 0.773 308 G N 1.433 110.095 108.800 -0.230 0.000 2.217 308 G HA2 -0.211 3.749 3.960 0.000 0.000 0.246 308 G HA3 -0.211 3.749 3.960 0.000 0.000 0.246 308 G C -0.017 174.786 174.900 -0.161 0.000 0.990 308 G CA -0.111 44.910 45.100 -0.131 0.000 0.627 308 G HN 0.541 nan 8.290 nan 0.000 0.522 309 V N 1.781 121.536 119.914 -0.265 0.000 2.347 309 V HA 0.670 4.790 4.120 0.000 0.000 0.280 309 V C -0.143 175.789 176.094 -0.269 0.000 1.021 309 V CA -0.911 61.300 62.300 -0.148 0.000 0.847 309 V CB 0.770 32.547 31.823 -0.077 0.000 0.990 309 V HN 0.267 nan 8.190 nan 0.000 0.444 310 Y N 2.412 122.717 120.300 0.008 0.000 2.534 310 Y HA 0.818 5.368 4.550 0.000 0.000 0.329 310 Y C 0.434 176.336 175.900 0.004 0.000 1.154 310 Y CA -0.806 57.300 58.100 0.010 0.000 1.192 310 Y CB 1.829 40.299 38.460 0.017 0.000 1.275 310 Y HN 0.658 nan 8.280 nan 0.000 0.491 311 A N 2.469 125.393 122.820 0.173 0.000 2.422 311 A HA 0.862 5.182 4.320 0.000 0.000 0.302 311 A C -1.072 176.563 177.584 0.085 0.000 1.041 311 A CA -0.602 51.492 52.037 0.095 0.000 0.708 311 A CB 0.825 19.860 19.000 0.060 0.000 1.257 311 A HN 0.754 nan 8.150 nan 0.000 0.414 312 I N -1.112 119.489 120.570 0.053 0.000 3.191 312 I HA 0.931 5.101 4.170 0.000 0.000 0.313 312 I C 0.518 176.641 176.117 0.010 0.000 1.193 312 I CA -0.376 60.941 61.300 0.028 0.000 0.968 312 I CB 1.833 39.846 38.000 0.022 0.000 1.262 312 I HN 1.839 nan 8.210 nan 0.000 0.456 313 G N 2.396 111.188 108.800 -0.013 0.000 2.601 313 G HA2 -0.255 3.705 3.960 0.000 0.000 0.252 313 G HA3 -0.255 3.705 3.960 0.000 0.000 0.252 313 G C 0.065 174.979 174.900 0.025 0.000 1.294 313 G CA 0.705 45.794 45.100 -0.019 0.000 0.912 313 G HN 0.876 nan 8.290 nan 0.000 0.574 314 D N 0.228 120.652 120.400 0.040 0.000 2.182 314 D HA 0.041 4.681 4.640 0.000 0.000 0.201 314 D C 2.714 179.122 176.300 0.181 0.000 0.986 314 D CA 2.324 56.397 54.000 0.121 0.000 0.847 314 D CB -0.650 40.194 40.800 0.074 0.000 0.942 314 D HN 0.930 nan 8.370 nan 0.000 0.467 315 A N 0.313 123.177 122.820 0.074 0.000 2.067 315 A HA 0.098 4.418 4.320 0.000 0.000 0.219 315 A C 2.185 179.851 177.584 0.135 0.000 1.158 315 A CA 1.768 53.824 52.037 0.031 0.000 0.661 315 A CB -0.268 18.728 19.000 -0.006 0.000 0.801 315 A HN 0.246 nan 8.150 nan 0.000 0.452 316 A N -0.435 122.486 122.820 0.168 0.000 1.924 316 A HA 0.394 4.714 4.320 0.000 0.000 0.211 316 A C 1.042 178.744 177.584 0.197 0.000 1.198 316 A CA 0.990 53.120 52.037 0.154 0.000 0.657 316 A CB 0.092 19.125 19.000 0.055 0.000 0.852 316 A HN 0.736 nan 8.150 nan 0.000 0.454 317 R N -2.752 117.824 120.500 0.127 0.000 3.112 317 R HA 0.365 4.705 4.340 0.000 0.000 0.271 317 R C -3.699 172.424 176.300 -0.296 0.000 1.008 317 R CA -1.404 54.548 56.100 -0.247 0.000 0.903 317 R CB 0.089 30.250 30.300 -0.233 0.000 1.267 317 R HN -0.100 nan 8.270 nan 0.000 0.514 318 P HA 0.274 nan 4.420 nan 0.000 0.276 318 P C -2.382 174.797 177.300 -0.202 0.000 1.252 318 P CA -1.242 61.689 63.100 -0.282 0.000 0.802 318 P CB 0.205 31.704 31.700 -0.334 0.000 1.035 319 P HA 0.129 nan 4.420 nan 0.000 0.274 319 P C -0.608 176.661 177.300 -0.052 0.000 1.231 319 P CA 0.087 63.150 63.100 -0.061 0.000 0.790 319 P CB 0.553 32.246 31.700 -0.011 0.000 0.951 320 L N 3.031 124.252 121.223 -0.004 0.000 2.399 320 L HA 0.312 4.652 4.340 0.000 0.000 0.257 320 L C 0.240 177.105 176.870 -0.010 0.000 1.236 320 L CA -0.063 54.787 54.840 0.016 0.000 1.144 320 L CB -0.910 41.192 42.059 0.070 0.000 1.379 320 L HN 0.189 nan 8.230 nan 0.000 0.414 321 L N 0.198 121.369 121.223 -0.086 0.000 2.354 321 L HA 0.589 4.929 4.340 0.000 0.000 0.269 321 L C 1.144 177.879 176.870 -0.224 0.000 1.005 321 L CA -0.474 54.269 54.840 -0.161 0.000 0.819 321 L CB 1.970 43.816 42.059 -0.354 0.000 1.311 321 L HN 0.372 nan 8.230 nan 0.000 0.423 322 A N 0.867 123.610 122.820 -0.129 0.000 1.873 322 A HA -0.168 4.152 4.320 0.000 0.000 0.215 322 A C 2.043 179.539 177.584 -0.146 0.000 1.186 322 A CA 1.562 53.543 52.037 -0.092 0.000 0.616 322 A CB -0.819 18.188 19.000 0.011 0.000 0.823 322 A HN 0.954 nan 8.150 nan 0.000 0.442 323 H N 0.023 119.070 119.070 -0.039 0.000 2.422 323 H HA -0.148 4.408 4.556 0.000 0.000 0.298 323 H C 1.816 177.122 175.328 -0.037 0.000 1.098 323 H CA 1.597 57.608 56.048 -0.063 0.000 1.315 323 H CB -0.577 29.175 29.762 -0.017 0.000 1.382 323 H HN 0.632 nan 8.280 nan 0.000 0.523 324 K N 1.627 121.836 120.400 -0.318 0.000 2.001 324 K HA -0.027 4.294 4.320 0.000 0.000 0.208 324 K C 2.566 179.154 176.600 -0.021 0.000 1.048 324 K CA 1.184 57.439 56.287 -0.055 0.000 0.932 324 K CB -0.226 32.200 32.500 -0.124 0.000 0.715 324 K HN 0.206 nan 8.250 nan 0.000 0.437 325 A N 1.444 124.193 122.820 -0.117 0.000 1.940 325 A HA -0.192 4.128 4.320 0.000 0.000 0.219 325 A C 2.171 179.659 177.584 -0.161 0.000 1.176 325 A CA 2.009 53.979 52.037 -0.111 0.000 0.631 325 A CB -0.565 18.359 19.000 -0.128 0.000 0.814 325 A HN 0.431 nan 8.150 nan 0.000 0.446 326 M N -1.654 117.773 119.600 -0.289 0.000 2.086 326 M HA -0.145 4.335 4.480 0.000 0.000 0.261 326 M C 2.356 178.519 176.300 -0.227 0.000 1.067 326 M CA 1.984 56.954 55.300 -0.550 0.000 1.116 326 M CB -0.319 31.744 32.600 -0.894 0.000 1.348 326 M HN 0.367 nan 8.290 nan 0.000 0.407 327 R N 1.141 121.581 120.500 -0.100 0.000 2.073 327 R HA -0.124 4.216 4.340 0.000 0.000 0.234 327 R C 1.690 178.043 176.300 0.089 0.000 1.134 327 R CA 1.880 57.962 56.100 -0.031 0.000 0.952 327 R CB -0.577 29.677 30.300 -0.076 0.000 0.850 327 R HN 0.457 nan 8.270 nan 0.000 0.433 328 E N -1.147 119.163 120.200 0.182 0.000 2.110 328 E HA -0.109 4.241 4.350 0.000 0.000 0.193 328 E C 1.875 178.520 176.600 0.076 0.000 0.988 328 E CA 1.127 57.643 56.400 0.193 0.000 0.804 328 E CB -0.286 29.486 29.700 0.120 0.000 0.745 328 E HN 0.609 nan 8.360 nan 0.000 0.458 329 G N 1.561 110.376 108.800 0.024 0.000 2.418 329 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 329 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 329 G C 1.605 176.512 174.900 0.012 0.000 1.158 329 G CA 0.422 45.526 45.100 0.008 0.000 0.771 329 G HN 0.081 nan 8.290 nan 0.000 0.545 330 L N 0.431 121.677 121.223 0.037 0.000 2.046 330 L HA -0.080 4.260 4.340 0.000 0.000 0.208 330 L C 2.843 179.711 176.870 -0.002 0.000 1.077 330 L CA 0.453 55.307 54.840 0.023 0.000 0.747 330 L CB -0.504 41.572 42.059 0.029 0.000 0.896 330 L HN 0.129 nan 8.230 nan 0.000 0.432 331 I N 0.632 121.218 120.570 0.026 0.000 2.113 331 I HA -0.273 3.897 4.170 0.000 0.000 0.238 331 I C 2.951 179.025 176.117 -0.071 0.000 1.070 331 I CA 1.759 63.080 61.300 0.034 0.000 1.332 331 I CB -1.606 36.472 38.000 0.131 0.000 1.044 331 I HN 0.180 nan 8.210 nan 0.000 0.402 332 A N 1.062 123.810 122.820 -0.119 0.000 1.892 332 A HA -0.225 4.095 4.320 0.000 0.000 0.218 332 A C 2.567 179.867 177.584 -0.473 0.000 1.188 332 A CA 2.733 54.533 52.037 -0.395 0.000 0.631 332 A CB -1.003 17.856 19.000 -0.236 0.000 0.822 332 A HN 0.482 nan 8.150 nan 0.000 0.447 333 A N -0.509 122.175 122.820 -0.227 0.000 1.902 333 A HA -0.175 4.145 4.320 0.000 0.000 0.217 333 A C 1.921 179.421 177.584 -0.140 0.000 1.181 333 A CA 1.708 53.647 52.037 -0.163 0.000 0.623 333 A CB -0.543 18.410 19.000 -0.078 0.000 0.818 333 A HN 0.660 nan 8.150 nan 0.000 0.443 334 E N -0.126 120.009 120.200 -0.107 0.000 2.106 334 E HA -0.153 4.197 4.350 0.000 0.000 0.192 334 E C 1.651 178.210 176.600 -0.068 0.000 0.984 334 E CA 1.052 57.415 56.400 -0.062 0.000 0.806 334 E CB -0.150 29.533 29.700 -0.027 0.000 0.750 334 E HN 0.536 nan 8.360 nan 0.000 0.458 335 N N 0.640 119.262 118.700 -0.131 0.000 2.216 335 N HA -0.073 4.667 4.740 0.000 0.000 0.183 335 N C 1.644 177.127 175.510 -0.045 0.000 1.017 335 N CA 1.088 54.098 53.050 -0.066 0.000 0.861 335 N CB -0.187 38.284 38.487 -0.026 0.000 0.986 335 N HN 0.107 nan 8.380 nan 0.000 0.428 336 A N 0.779 123.471 122.820 -0.213 0.000 1.969 336 A HA 0.100 4.420 4.320 0.000 0.000 0.218 336 A C 1.974 179.566 177.584 0.013 0.000 1.169 336 A CA 1.492 53.501 52.037 -0.046 0.000 0.635 336 A CB -0.435 18.499 19.000 -0.109 0.000 0.810 336 A HN 0.269 nan 8.150 nan 0.000 0.445 337 A N -1.460 121.349 122.820 -0.018 0.000 2.276 337 A HA 0.431 4.751 4.320 0.000 0.000 0.212 337 A C 1.588 179.183 177.584 0.019 0.000 1.230 337 A CA 0.997 53.037 52.037 0.005 0.000 0.844 337 A CB -1.163 17.833 19.000 -0.007 0.000 0.860 337 A HN 1.845 nan 8.150 nan 0.000 0.486 338 G N -0.603 108.217 108.800 0.033 0.000 2.136 338 G HA2 -0.244 3.716 3.960 0.000 0.000 0.242 338 G HA3 -0.244 3.716 3.960 0.000 0.000 0.242 338 G C 0.296 175.216 174.900 0.034 0.000 0.989 338 G CA 0.674 45.799 45.100 0.041 0.000 0.682 338 G HN 0.589 nan 8.290 nan 0.000 0.522 339 K N -0.604 119.812 120.400 0.027 0.000 2.526 339 K HA 0.559 4.880 4.320 0.000 0.000 0.256 339 K C -0.736 175.887 176.600 0.037 0.000 1.035 339 K CA -0.463 55.839 56.287 0.025 0.000 1.011 339 K CB 0.636 33.145 32.500 0.014 0.000 1.343 339 K HN 0.061 nan 8.250 nan 0.000 0.510 340 D N 0.344 120.765 120.400 0.035 0.000 2.363 340 D HA 0.204 4.844 4.640 0.000 0.000 0.258 340 D C -1.500 174.826 176.300 0.043 0.000 1.259 340 D CA -0.119 53.907 54.000 0.044 0.000 0.921 340 D CB 0.650 41.472 40.800 0.037 0.000 1.201 340 D HN 0.274 nan 8.370 nan 0.000 0.524 341 S N 0.961 116.692 115.700 0.053 0.000 2.578 341 S HA 0.984 5.455 4.470 0.000 0.000 0.301 341 S C -0.750 173.900 174.600 0.083 0.000 1.091 341 S CA -0.697 57.540 58.200 0.063 0.000 1.032 341 S CB 1.809 65.045 63.200 0.060 0.000 1.064 341 S HN 0.567 nan 8.310 nan 0.000 0.508 342 A N 1.354 124.225 122.820 0.086 0.000 2.549 342 A HA 0.703 5.023 4.320 0.000 0.000 0.297 342 A C -1.603 176.046 177.584 0.107 0.000 1.061 342 A CA -0.633 51.464 52.037 0.101 0.000 0.690 342 A CB 0.804 19.835 19.000 0.052 0.000 1.287 342 A HN 0.663 nan 8.150 nan 0.000 0.402 343 F N 3.179 123.148 119.950 0.031 0.000 2.413 343 F HA 0.458 4.985 4.527 0.000 0.000 0.359 343 F C 0.121 175.843 175.800 -0.129 0.000 1.122 343 F CA -0.546 57.480 58.000 0.043 0.000 1.160 343 F CB 0.972 40.037 39.000 0.109 0.000 1.146 343 F HN 0.562 nan 8.300 nan 0.000 0.514 344 D N 3.500 123.657 120.400 -0.405 0.000 2.785 344 D HA 0.073 4.713 4.640 0.000 0.000 0.324 344 D C -0.834 175.173 176.300 -0.488 0.000 1.523 344 D CA -0.150 53.678 54.000 -0.287 0.000 0.789 344 D CB -1.089 39.529 40.800 -0.304 0.000 1.171 344 D HN 0.313 nan 8.370 nan 0.000 0.447 348 V N 4.288 124.322 119.914 0.200 0.000 2.313 348 V HA 0.436 4.556 4.120 0.000 0.000 0.278 348 V C -1.825 174.386 176.094 0.195 0.000 1.017 348 V CA -1.132 61.312 62.300 0.241 0.000 0.823 348 V CB 1.343 33.327 31.823 0.269 0.000 1.010 348 V HN 0.525 nan 8.190 nan 0.000 0.443 349 P HA 0.448 nan 4.420 nan 0.000 0.278 349 P C -0.698 176.736 177.300 0.224 0.000 1.258 349 P CA -0.318 62.837 63.100 0.092 0.000 0.811 349 P CB 1.598 33.272 31.700 -0.043 0.000 1.063 350 S N -0.500 115.313 115.700 0.190 0.000 2.541 350 S HA 0.647 5.117 4.470 0.000 0.000 0.280 350 S C -0.740 174.006 174.600 0.244 0.000 1.112 350 S CA -0.691 57.683 58.200 0.289 0.000 0.925 350 S CB 1.193 64.602 63.200 0.348 0.000 1.067 350 S HN 0.232 nan 8.310 nan 0.000 0.479 351 V N 1.960 121.991 119.914 0.194 0.000 2.735 351 V HA 0.633 4.754 4.120 0.000 0.000 0.310 351 V C -0.814 175.310 176.094 0.050 0.000 1.061 351 V CA -0.746 61.568 62.300 0.024 0.000 0.913 351 V CB 2.068 33.695 31.823 -0.328 0.000 1.005 351 V HN 0.864 nan 8.190 nan 0.000 0.428 352 V N 4.124 124.073 119.914 0.057 0.000 2.378 352 V HA 0.317 4.437 4.120 0.000 0.000 0.288 352 V C -0.487 175.591 176.094 -0.028 0.000 1.016 352 V CA -0.441 61.927 62.300 0.114 0.000 0.840 352 V CB 1.266 33.201 31.823 0.187 0.000 0.994 352 V HN 0.860 nan 8.190 nan 0.000 0.431 353 Y N 2.395 122.777 120.300 0.136 0.000 2.506 353 Y HA 0.086 4.636 4.550 0.000 0.000 0.333 353 Y C 1.802 177.766 175.900 0.106 0.000 1.177 353 Y CA -0.369 57.800 58.100 0.115 0.000 1.292 353 Y CB -0.724 37.797 38.460 0.102 0.000 1.124 353 Y HN 0.737 nan 8.280 nan 0.000 0.507 354 T N -2.900 111.762 114.554 0.180 0.000 2.698 354 T HA 0.289 4.639 4.350 0.000 0.000 0.295 354 T C 0.363 175.131 174.700 0.113 0.000 1.007 354 T CA -0.802 61.378 62.100 0.134 0.000 0.980 354 T CB 1.096 70.026 68.868 0.104 0.000 1.036 354 T HN 0.078 nan 8.240 nan 0.000 0.526 355 S N 2.944 118.691 115.700 0.077 0.000 2.640 355 S HA 0.449 4.919 4.470 0.000 0.000 0.320 355 S C -2.342 172.289 174.600 0.051 0.000 1.097 355 S CA -1.021 57.220 58.200 0.068 0.000 1.092 355 S CB 1.089 64.323 63.200 0.057 0.000 0.988 355 S HN 0.663 nan 8.310 nan 0.000 0.470 356 P HA 0.199 nan 4.420 nan 0.000 0.272 356 P C -0.491 176.867 177.300 0.097 0.000 1.230 356 P CA -0.387 62.764 63.100 0.084 0.000 0.788 356 P CB 0.812 32.563 31.700 0.085 0.000 0.949 357 E N 0.182 120.428 120.200 0.077 0.000 2.349 357 E HA 0.247 4.597 4.350 0.000 0.000 0.262 357 E C -0.977 175.692 176.600 0.115 0.000 1.088 357 E CA -0.189 56.249 56.400 0.064 0.000 0.899 357 E CB 0.776 30.462 29.700 -0.024 0.000 1.044 357 E HN 0.470 nan 8.360 nan 0.000 0.420 358 W N 0.642 121.907 121.300 -0.058 0.000 2.819 358 W HA 0.584 5.244 4.660 0.000 0.000 0.337 358 W C -1.538 174.951 176.519 -0.050 0.000 1.077 358 W CA -0.352 56.982 57.345 -0.019 0.000 1.226 358 W CB 1.490 30.958 29.460 0.013 0.000 1.419 358 W HN 0.515 nan 8.180 nan 0.000 0.502 359 A N 3.286 125.622 122.820 -0.806 0.000 2.574 359 A HA 0.882 5.202 4.320 0.000 0.000 0.297 359 A C -0.949 175.942 177.584 -1.155 0.000 1.062 359 A CA -0.325 51.303 52.037 -0.682 0.000 0.686 359 A CB 1.287 20.065 19.000 -0.371 0.000 1.285 359 A HN 1.256 nan 8.150 nan 0.000 0.403 360 G N -0.867 107.518 108.800 -0.692 0.000 2.718 360 G HA2 0.744 4.705 3.960 0.000 0.000 0.295 360 G HA3 0.744 4.705 3.960 0.000 0.000 0.295 360 G C -1.861 172.824 174.900 -0.358 0.000 1.421 360 G CA -0.169 44.561 45.100 -0.617 0.000 0.902 360 G HN 1.901 nan 8.290 nan 0.000 0.501 361 V N 0.261 119.826 119.914 -0.582 0.000 3.077 361 V HA 0.859 4.979 4.120 0.000 0.000 0.299 361 V C 0.570 176.476 176.094 -0.313 0.000 1.276 361 V CA 1.380 63.511 62.300 -0.281 0.000 0.993 361 V CB 1.528 33.227 31.823 -0.206 0.000 1.076 361 V HN 2.821 nan 8.190 nan 0.000 0.434 362 G N 4.277 113.017 108.800 -0.099 0.000 2.615 362 G HA2 -0.126 3.834 3.960 0.000 0.000 0.218 362 G HA3 -0.126 3.834 3.960 0.000 0.000 0.218 362 G C -0.822 174.125 174.900 0.079 0.000 1.339 362 G CA -0.198 44.874 45.100 -0.046 0.000 0.884 362 G HN 1.281 nan 8.290 nan 0.000 0.559 363 L N 1.557 122.838 121.223 0.097 0.000 2.326 363 L HA 0.516 4.856 4.340 0.000 0.000 0.278 363 L C 1.685 178.763 176.870 0.347 0.000 1.092 363 L CA -0.210 54.743 54.840 0.188 0.000 0.810 363 L CB 1.193 43.311 42.059 0.098 0.000 1.153 363 L HN 1.013 nan 8.230 nan 0.000 0.439 364 T N -2.128 112.612 114.554 0.311 0.000 2.788 364 T HA 0.071 4.421 4.350 0.000 0.000 0.287 364 T C 0.931 175.698 174.700 0.111 0.000 1.007 364 T CA -0.546 61.641 62.100 0.145 0.000 1.005 364 T CB 1.218 70.063 68.868 -0.038 0.000 1.012 364 T HN 0.691 nan 8.240 nan 0.000 0.530 365 E N -0.120 120.105 120.200 0.042 0.000 2.085 365 E HA -0.210 4.140 4.350 0.000 0.000 0.194 365 E C 2.112 178.749 176.600 0.062 0.000 0.994 365 E CA 1.165 57.602 56.400 0.061 0.000 0.801 365 E CB -0.023 29.696 29.700 0.031 0.000 0.743 365 E HN 0.796 nan 8.360 nan 0.000 0.453 366 E N 0.971 121.193 120.200 0.037 0.000 2.077 366 E HA -0.235 4.115 4.350 0.000 0.000 0.193 366 E C 1.641 178.282 176.600 0.068 0.000 0.989 366 E CA 1.378 57.803 56.400 0.042 0.000 0.800 366 E CB 0.035 29.747 29.700 0.021 0.000 0.746 366 E HN 0.362 nan 8.360 nan 0.000 0.452 367 E N 0.264 120.513 120.200 0.082 0.000 2.150 367 E HA -0.101 4.249 4.350 0.000 0.000 0.193 367 E C 2.064 178.753 176.600 0.149 0.000 0.985 367 E CA 0.870 57.333 56.400 0.105 0.000 0.814 367 E CB -0.129 29.639 29.700 0.113 0.000 0.752 367 E HN 0.327 nan 8.360 nan 0.000 0.466 368 A N 1.774 124.688 122.820 0.157 0.000 1.930 368 A HA -0.202 4.118 4.320 0.000 0.000 0.217 368 A C 1.948 179.692 177.584 0.266 0.000 1.175 368 A CA 1.334 53.508 52.037 0.229 0.000 0.627 368 A CB -0.201 18.875 19.000 0.126 0.000 0.815 368 A HN 0.033 nan 8.150 nan 0.000 0.443 369 K N -0.736 119.759 120.400 0.159 0.000 2.025 369 K HA -0.065 4.256 4.320 0.000 0.000 0.207 369 K C 2.336 178.992 176.600 0.093 0.000 1.049 369 K CA 1.238 57.597 56.287 0.119 0.000 0.933 369 K CB -0.197 32.350 32.500 0.079 0.000 0.714 369 K HN 0.311 nan 8.250 nan 0.000 0.438 370 R N 0.443 120.993 120.500 0.083 0.000 2.105 370 R HA -0.089 4.251 4.340 0.000 0.000 0.239 370 R C 2.071 178.399 176.300 0.046 0.000 1.135 370 R CA 1.259 57.393 56.100 0.056 0.000 0.967 370 R CB -0.237 30.095 30.300 0.053 0.000 0.861 370 R HN 0.180 nan 8.270 nan 0.000 0.442 371 A N -0.348 122.523 122.820 0.084 0.000 2.239 371 A HA 0.104 4.424 4.320 0.000 0.000 0.209 371 A C 1.368 178.866 177.584 -0.144 0.000 1.171 371 A CA 1.032 53.081 52.037 0.020 0.000 0.768 371 A CB -0.187 18.917 19.000 0.174 0.000 0.790 371 A HN 0.510 nan 8.150 nan 0.000 0.478 372 G N -2.640 106.124 108.800 -0.061 0.000 2.157 372 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 372 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 372 G C 0.022 174.856 174.900 -0.110 0.000 0.979 372 G CA 0.247 45.286 45.100 -0.103 0.000 0.650 372 G HN 0.476 nan 8.290 nan 0.000 0.529 373 Y N 0.601 120.925 120.300 0.040 0.000 2.336 373 Y HA 0.436 4.986 4.550 0.000 0.000 0.331 373 Y C 1.268 177.198 175.900 0.051 0.000 1.211 373 Y CA -0.267 57.861 58.100 0.048 0.000 1.346 373 Y CB 0.664 39.159 38.460 0.058 0.000 1.271 373 Y HN -0.160 nan 8.280 nan 0.000 0.538 374 K N 3.072 123.608 120.400 0.227 0.000 2.278 374 K HA 0.141 4.461 4.320 0.000 0.000 0.237 374 K C -0.755 175.938 176.600 0.155 0.000 1.229 374 K CA -0.110 56.264 56.287 0.145 0.000 1.155 374 K CB -0.614 31.954 32.500 0.114 0.000 1.590 374 K HN 0.397 nan 8.250 nan 0.000 0.290 375 V N 2.048 122.054 119.914 0.154 0.000 2.694 375 V HA -0.046 4.074 4.120 0.000 0.000 0.306 375 V C 0.681 176.833 176.094 0.096 0.000 1.054 375 V CA 0.489 62.872 62.300 0.139 0.000 1.161 375 V CB 0.064 31.960 31.823 0.122 0.000 0.916 375 V HN 0.487 nan 8.190 nan 0.000 0.490 376 K N 3.366 123.845 120.400 0.132 0.000 2.523 376 K HA 0.718 5.038 4.320 0.000 0.000 0.257 376 K C -1.347 175.360 176.600 0.178 0.000 0.932 376 K CA -0.682 55.608 56.287 0.006 0.000 0.812 376 K CB 2.385 34.718 32.500 -0.280 0.000 1.326 376 K HN 0.600 nan 8.250 nan 0.000 0.433 377 V N -0.612 119.348 119.914 0.076 0.000 2.914 377 V HA 0.945 5.065 4.120 0.000 0.000 0.314 377 V C -0.332 175.873 176.094 0.185 0.000 1.084 377 V CA -0.552 61.869 62.300 0.201 0.000 0.963 377 V CB 1.708 33.604 31.823 0.122 0.000 1.025 377 V HN 0.796 nan 8.190 nan 0.000 0.432 378 G N 2.043 110.998 108.800 0.257 0.000 2.513 378 G HA2 0.736 4.696 3.960 0.000 0.000 0.317 378 G HA3 0.736 4.696 3.960 0.000 0.000 0.317 378 G C -1.136 173.849 174.900 0.142 0.000 1.277 378 G CA -0.955 44.263 45.100 0.196 0.000 0.955 378 G HN 0.845 nan 8.290 nan 0.000 0.484 379 K N 0.654 121.132 120.400 0.130 0.000 2.464 379 K HA 0.524 4.844 4.320 0.000 0.000 0.253 379 K C -2.040 174.670 176.600 0.183 0.000 0.933 379 K CA -0.739 55.625 56.287 0.128 0.000 0.801 379 K CB 3.045 35.591 32.500 0.078 0.000 1.271 379 K HN 0.396 nan 8.250 nan 0.000 0.430 380 F N 4.389 124.354 119.950 0.024 0.000 2.562 380 F HA 0.362 4.889 4.527 0.000 0.000 0.319 380 F C -2.577 173.236 175.800 0.022 0.000 1.154 380 F CA -1.942 56.072 58.000 0.024 0.000 0.931 380 F CB 1.780 40.790 39.000 0.017 0.000 1.198 380 F HN 0.301 nan 8.300 nan 0.000 0.444 381 P HA 0.194 nan 4.420 nan 0.000 0.284 381 P C 0.484 177.622 177.300 -0.270 0.000 1.253 381 P CA -0.267 62.672 63.100 -0.269 0.000 0.800 381 P CB 2.099 33.645 31.700 -0.256 0.000 0.961 382 L N 2.274 123.474 121.223 -0.038 0.000 2.362 382 L HA -0.127 4.213 4.340 0.000 0.000 0.219 382 L C 2.434 179.304 176.870 0.000 0.000 1.134 382 L CA 1.176 56.044 54.840 0.047 0.000 0.807 382 L CB -0.603 41.497 42.059 0.068 0.000 0.927 382 L HN 0.430 nan 8.230 nan 0.000 0.447 383 A N -0.002 122.782 122.820 -0.059 0.000 2.070 383 A HA -0.101 4.219 4.320 0.000 0.000 0.220 383 A C 2.124 179.670 177.584 -0.063 0.000 1.159 383 A CA 1.551 53.559 52.037 -0.049 0.000 0.656 383 A CB -0.359 18.606 19.000 -0.058 0.000 0.800 383 A HN 0.387 nan 8.150 nan 0.000 0.453 384 A N -0.768 121.966 122.820 -0.143 0.000 2.379 384 A HA 0.442 4.762 4.320 0.000 0.000 0.236 384 A C 0.978 178.622 177.584 0.100 0.000 1.272 384 A CA 0.560 52.535 52.037 -0.103 0.000 0.886 384 A CB -0.366 18.445 19.000 -0.314 0.000 0.962 384 A HN 0.373 nan 8.150 nan 0.000 0.504 385 S N -0.473 115.307 115.700 0.132 0.000 2.438 385 S HA 0.461 4.931 4.470 0.000 0.000 0.293 385 S C 1.454 176.085 174.600 0.051 0.000 1.141 385 S CA 0.025 58.331 58.200 0.176 0.000 1.080 385 S CB 1.010 64.331 63.200 0.201 0.000 0.978 385 S HN 0.472 nan 8.310 nan 0.000 0.479 386 G N 4.650 113.454 108.800 0.007 0.000 2.418 386 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 386 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 386 G C 1.488 176.365 174.900 -0.037 0.000 1.158 386 G CA 0.682 45.770 45.100 -0.020 0.000 0.771 386 G HN 0.655 nan 8.290 nan 0.000 0.545 387 R N 1.265 121.729 120.500 -0.060 0.000 2.081 387 R HA 0.104 4.444 4.340 0.000 0.000 0.235 387 R C 2.758 179.052 176.300 -0.010 0.000 1.131 387 R CA 1.779 57.844 56.100 -0.059 0.000 0.960 387 R CB -1.019 29.240 30.300 -0.069 0.000 0.856 387 R HN 0.242 nan 8.270 nan 0.000 0.436 388 A N 0.355 123.187 122.820 0.020 0.000 1.908 388 A HA -0.146 4.174 4.320 0.000 0.000 0.218 388 A C 2.091 179.701 177.584 0.043 0.000 1.181 388 A CA 1.551 53.612 52.037 0.040 0.000 0.627 388 A CB -0.723 18.312 19.000 0.057 0.000 0.818 388 A HN 0.339 nan 8.150 nan 0.000 0.445 389 L N 0.401 121.643 121.223 0.032 0.000 2.046 389 L HA -0.130 4.210 4.340 0.000 0.000 0.208 389 L C 2.860 179.752 176.870 0.037 0.000 1.077 389 L CA 2.643 57.504 54.840 0.036 0.000 0.747 389 L CB -0.816 41.257 42.059 0.023 0.000 0.896 389 L HN 0.621 nan 8.230 nan 0.000 0.432 390 T N -3.638 110.923 114.554 0.012 0.000 3.007 390 T HA -0.131 4.219 4.350 0.000 0.000 0.270 390 T C 1.611 176.318 174.700 0.013 0.000 1.107 390 T CA 1.047 63.144 62.100 -0.005 0.000 1.118 390 T CB -0.448 68.398 68.868 -0.036 0.000 0.889 390 T HN 0.346 nan 8.240 nan 0.000 0.506 391 L N 0.205 121.457 121.223 0.048 0.000 2.607 391 L HA 0.455 4.795 4.340 0.000 0.000 0.228 391 L C 1.836 178.828 176.870 0.204 0.000 1.123 391 L CA 0.163 55.056 54.840 0.088 0.000 0.890 391 L CB -0.391 41.697 42.059 0.048 0.000 1.103 391 L HN 0.649 nan 8.230 nan 0.000 0.468 392 G N 0.236 109.147 108.800 0.185 0.000 3.110 392 G HA2 -0.219 3.741 3.960 0.000 0.000 0.238 392 G HA3 -0.219 3.741 3.960 0.000 0.000 0.238 392 G C 0.369 175.353 174.900 0.141 0.000 1.647 392 G CA -0.401 44.829 45.100 0.216 0.000 1.146 392 G HN 0.312 nan 8.290 nan 0.000 0.545 393 G N 1.213 110.101 108.800 0.147 0.000 2.394 393 G HA2 0.658 4.618 3.960 0.000 0.000 0.298 393 G HA3 0.658 4.618 3.960 0.000 0.000 0.298 393 G C 0.431 175.385 174.900 0.089 0.000 1.087 393 G CA 1.200 46.363 45.100 0.105 0.000 1.035 393 G HN 1.799 nan 8.290 nan 0.000 0.420 394 A N 3.014 125.874 122.820 0.067 0.000 3.063 394 A HA 0.447 4.767 4.320 0.000 0.000 0.263 394 A C 0.411 178.022 177.584 0.046 0.000 1.736 394 A CA -0.256 51.814 52.037 0.055 0.000 1.408 394 A CB -0.120 18.904 19.000 0.041 0.000 1.108 394 A HN 0.572 nan 8.150 nan 0.000 0.621 395 E N 0.806 121.041 120.200 0.057 0.000 2.114 395 E HA 0.595 4.945 4.350 0.000 0.000 0.266 395 E C 0.325 176.958 176.600 0.054 0.000 0.896 395 E CA 0.701 57.132 56.400 0.051 0.000 0.750 395 E CB 0.841 30.577 29.700 0.060 0.000 1.121 395 E HN 0.849 nan 8.360 nan 0.000 0.413 396 G N 2.604 111.431 108.800 0.045 0.000 2.352 396 G HA2 0.374 4.334 3.960 0.000 0.000 0.283 396 G HA3 0.374 4.334 3.960 0.000 0.000 0.283 396 G C -1.245 173.682 174.900 0.046 0.000 1.308 396 G CA -0.267 44.864 45.100 0.052 0.000 0.892 396 G HN 0.767 nan 8.290 nan 0.000 0.504 397 M N -2.002 117.631 119.600 0.055 0.000 2.694 397 M HA 0.751 5.231 4.480 0.000 0.000 0.276 397 M C -1.882 174.460 176.300 0.069 0.000 1.167 397 M CA -1.037 54.303 55.300 0.067 0.000 0.849 397 M CB 1.856 34.486 32.600 0.050 0.000 1.705 397 M HN 0.806 nan 8.290 nan 0.000 0.504 398 V N 1.775 121.752 119.914 0.105 0.000 2.555 398 V HA 0.683 4.803 4.120 0.000 0.000 0.302 398 V C -0.811 175.339 176.094 0.092 0.000 1.038 398 V CA -0.443 61.898 62.300 0.070 0.000 0.887 398 V CB 1.951 33.809 31.823 0.059 0.000 0.991 398 V HN 0.823 nan 8.190 nan 0.000 0.434 399 K N 4.109 124.560 120.400 0.084 0.000 2.507 399 K HA 0.714 5.034 4.320 0.000 0.000 0.252 399 K C -1.133 175.533 176.600 0.111 0.000 0.943 399 K CA -0.545 55.814 56.287 0.120 0.000 0.808 399 K CB 2.022 34.618 32.500 0.159 0.000 1.142 399 K HN 0.602 nan 8.250 nan 0.000 0.426 400 V N 1.052 121.016 119.914 0.084 0.000 2.547 400 V HA 0.678 4.798 4.120 0.000 0.000 0.299 400 V C -0.640 175.507 176.094 0.089 0.000 1.040 400 V CA -0.743 61.572 62.300 0.025 0.000 0.913 400 V CB 1.623 33.401 31.823 -0.075 0.000 0.992 400 V HN 0.405 nan 8.190 nan 0.000 0.449 401 V N 3.996 123.944 119.914 0.056 0.000 2.448 401 V HA 0.930 5.050 4.120 0.000 0.000 0.295 401 V C 0.714 176.806 176.094 -0.003 0.000 1.025 401 V CA 0.495 62.854 62.300 0.100 0.000 0.859 401 V CB 1.076 32.985 31.823 0.144 0.000 0.988 401 V HN 1.369 nan 8.190 nan 0.000 0.431 402 G N 2.161 111.025 108.800 0.107 0.000 2.694 402 G HA2 0.505 4.465 3.960 0.000 0.000 0.290 402 G HA3 0.505 4.465 3.960 0.000 0.000 0.290 402 G C -1.815 173.193 174.900 0.181 0.000 1.386 402 G CA -0.430 44.674 45.100 0.007 0.000 0.872 402 G HN 0.541 nan 8.290 nan 0.000 0.475 403 D N -0.217 120.247 120.400 0.107 0.000 2.274 403 D HA 0.117 4.757 4.640 0.000 0.000 0.239 403 D C 0.958 177.422 176.300 0.273 0.000 1.104 403 D CA -0.321 53.789 54.000 0.184 0.000 0.840 403 D CB 2.023 42.925 40.800 0.172 0.000 1.100 403 D HN 0.560 nan 8.370 nan 0.000 0.477 404 E N 3.282 123.636 120.200 0.257 0.000 2.077 404 E HA -0.206 4.145 4.350 0.000 0.000 0.193 404 E C 1.060 177.772 176.600 0.186 0.000 0.989 404 E CA 1.182 57.717 56.400 0.225 0.000 0.800 404 E CB 0.324 30.078 29.700 0.089 0.000 0.746 404 E HN 0.585 nan 8.360 nan 0.000 0.452 405 E N -0.452 119.839 120.200 0.151 0.000 2.023 405 E HA -0.188 4.162 4.350 0.000 0.000 0.196 405 E C 2.204 178.875 176.600 0.118 0.000 1.003 405 E CA 2.012 58.483 56.400 0.119 0.000 0.809 405 E CB -0.145 29.619 29.700 0.106 0.000 0.755 405 E HN 0.446 nan 8.360 nan 0.000 0.449 406 T N -2.398 112.234 114.554 0.129 0.000 3.057 406 T HA 0.014 4.364 4.350 0.000 0.000 0.254 406 T C 0.680 175.441 174.700 0.102 0.000 1.094 406 T CA 0.780 62.943 62.100 0.104 0.000 1.088 406 T CB 0.268 69.197 68.868 0.101 0.000 0.934 406 T HN 0.135 nan 8.240 nan 0.000 0.497 407 D N -0.874 119.612 120.400 0.143 0.000 3.028 407 D HA -0.146 4.494 4.640 0.000 0.000 0.207 407 D C -0.293 176.007 176.300 -0.001 0.000 1.100 407 D CA 0.395 54.484 54.000 0.148 0.000 0.995 407 D CB -1.837 39.065 40.800 0.170 0.000 1.108 407 D HN 0.519 nan 8.370 nan 0.000 0.421 408 L N 0.768 121.990 121.223 -0.001 0.000 2.455 408 L HA 0.366 4.706 4.340 0.000 0.000 0.272 408 L C 0.061 176.841 176.870 -0.150 0.000 1.174 408 L CA -0.237 54.566 54.840 -0.062 0.000 0.869 408 L CB 0.536 42.579 42.059 -0.026 0.000 1.130 408 L HN 0.234 nan 8.230 nan 0.000 0.474 409 L N 5.484 126.601 121.223 -0.175 0.000 2.416 409 L HA 0.178 4.518 4.340 0.000 0.000 0.272 409 L C 0.294 177.049 176.870 -0.191 0.000 1.161 409 L CA 0.735 55.447 54.840 -0.213 0.000 0.845 409 L CB 0.557 42.503 42.059 -0.189 0.000 1.119 409 L HN 0.774 nan 8.230 nan 0.000 0.464 410 L N 3.823 124.931 121.223 -0.193 0.000 2.653 410 L HA 0.520 4.860 4.340 0.000 0.000 0.230 410 L C 0.817 177.613 176.870 -0.123 0.000 1.055 410 L CA 0.286 55.006 54.840 -0.200 0.000 0.880 410 L CB 0.258 42.147 42.059 -0.283 0.000 1.195 410 L HN 0.775 nan 8.230 nan 0.000 0.492 411 G N -0.385 108.353 108.800 -0.103 0.000 2.646 411 G HA2 0.583 4.543 3.960 0.000 0.000 0.291 411 G HA3 0.583 4.543 3.960 0.000 0.000 0.291 411 G C -1.986 172.772 174.900 -0.236 0.000 1.445 411 G CA -0.316 44.699 45.100 -0.141 0.000 0.814 411 G HN -0.273 nan 8.290 nan 0.000 0.495 412 V N 0.086 119.645 119.914 -0.592 0.000 2.808 412 V HA 0.735 4.855 4.120 0.000 0.000 0.308 412 V C -1.448 174.045 176.094 -1.002 0.000 1.099 412 V CA -0.691 61.305 62.300 -0.507 0.000 0.920 412 V CB 1.804 33.423 31.823 -0.340 0.000 1.014 412 V HN 0.669 nan 8.190 nan 0.000 0.425 413 F N 4.142 123.990 119.950 -0.169 0.000 2.561 413 F HA 0.764 5.291 4.527 0.000 0.000 0.313 413 F C -0.277 175.340 175.800 -0.306 0.000 1.126 413 F CA -0.550 57.269 58.000 -0.301 0.000 0.918 413 F CB 1.934 40.837 39.000 -0.162 0.000 1.199 413 F HN 0.203 nan 8.300 nan 0.000 0.444 414 I N 3.242 123.596 120.570 -0.359 0.000 2.686 414 I HA 0.638 4.808 4.170 0.000 0.000 0.295 414 I C -1.444 174.482 176.117 -0.318 0.000 1.114 414 I CA -1.207 59.937 61.300 -0.260 0.000 1.038 414 I CB 2.457 40.324 38.000 -0.222 0.000 1.238 414 I HN 0.351 nan 8.210 nan 0.000 0.420 415 V N 4.799 124.650 119.914 -0.105 0.000 2.623 415 V HA 1.013 5.133 4.120 0.000 0.000 0.304 415 V C -0.324 175.787 176.094 0.027 0.000 1.054 415 V CA 0.390 62.692 62.300 0.004 0.000 0.882 415 V CB 1.347 33.252 31.823 0.137 0.000 1.002 415 V HN 1.076 nan 8.190 nan 0.000 0.424 416 G N 6.372 115.193 108.800 0.035 0.000 2.356 416 G HA2 0.270 4.230 3.960 0.000 0.000 0.300 416 G HA3 0.270 4.230 3.960 0.000 0.000 0.300 416 G C -3.513 171.407 174.900 0.033 0.000 1.331 416 G CA -0.317 44.808 45.100 0.042 0.000 0.905 416 G HN 0.688 nan 8.290 nan 0.000 0.587 417 P HA 0.217 nan 4.420 nan 0.000 0.271 417 P C -0.254 177.056 177.300 0.017 0.000 1.216 417 P CA 0.658 63.780 63.100 0.036 0.000 0.776 417 P CB 1.122 32.846 31.700 0.040 0.000 0.881 418 Q N 0.103 119.913 119.800 0.017 0.000 2.481 418 Q HA -0.258 4.082 4.340 0.000 0.000 0.258 418 Q C 1.304 177.284 176.000 -0.034 0.000 0.961 418 Q CA 1.324 57.128 55.803 0.002 0.000 1.121 418 Q CB -2.776 25.965 28.738 0.005 0.000 1.503 418 Q HN 0.709 nan 8.270 nan 0.000 0.544 419 A N 0.103 122.889 122.820 -0.057 0.000 1.908 419 A HA -0.026 4.294 4.320 0.000 0.000 0.218 419 A C 2.205 179.702 177.584 -0.146 0.000 1.181 419 A CA 2.184 54.155 52.037 -0.109 0.000 0.627 419 A CB -0.855 18.064 19.000 -0.135 0.000 0.818 419 A HN 0.619 nan 8.150 nan 0.000 0.445 420 G N -0.538 108.164 108.800 -0.164 0.000 2.450 420 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 420 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 420 G C 1.379 176.216 174.900 -0.104 0.000 1.130 420 G CA 1.060 46.049 45.100 -0.185 0.000 0.760 420 G HN 0.538 nan 8.290 nan 0.000 0.557 421 E N 0.462 120.626 120.200 -0.060 0.000 2.076 421 E HA 0.031 4.381 4.350 0.000 0.000 0.190 421 E C 2.700 179.265 176.600 -0.058 0.000 0.979 421 E CA 0.297 56.673 56.400 -0.041 0.000 0.807 421 E CB -0.340 29.351 29.700 -0.015 0.000 0.761 421 E HN 0.456 nan 8.360 nan 0.000 0.454 422 L N 0.453 121.637 121.223 -0.065 0.000 2.201 422 L HA -0.086 4.254 4.340 0.000 0.000 0.212 422 L C 2.448 179.261 176.870 -0.095 0.000 1.105 422 L CA 0.304 55.105 54.840 -0.065 0.000 0.775 422 L CB -0.340 41.683 42.059 -0.060 0.000 0.913 422 L HN 0.054 nan 8.230 nan 0.000 0.440 423 I N 0.470 120.961 120.570 -0.131 0.000 2.614 423 I HA -0.180 3.990 4.170 0.000 0.000 0.258 423 I C 2.500 178.536 176.117 -0.134 0.000 1.189 423 I CA 0.923 62.124 61.300 -0.165 0.000 1.462 423 I CB -0.202 37.674 38.000 -0.208 0.000 1.092 423 I HN 0.121 nan 8.210 nan 0.000 0.442 424 A N -0.416 122.339 122.820 -0.108 0.000 1.933 424 A HA -0.249 4.071 4.320 0.000 0.000 0.218 424 A C 2.357 179.893 177.584 -0.080 0.000 1.175 424 A CA 1.790 53.772 52.037 -0.092 0.000 0.628 424 A CB -0.682 18.272 19.000 -0.078 0.000 0.814 424 A HN 0.558 nan 8.150 nan 0.000 0.444 425 E N -0.134 120.022 120.200 -0.073 0.000 2.077 425 E HA -0.127 4.223 4.350 0.000 0.000 0.193 425 E C 2.124 178.683 176.600 -0.068 0.000 0.989 425 E CA 0.967 57.331 56.400 -0.059 0.000 0.800 425 E CB -0.216 29.466 29.700 -0.030 0.000 0.746 425 E HN 0.552 nan 8.360 nan 0.000 0.452 426 A N 1.147 123.911 122.820 -0.093 0.000 1.898 426 A HA -0.053 4.267 4.320 0.000 0.000 0.216 426 A C 2.376 179.894 177.584 -0.109 0.000 1.181 426 A CA 1.606 53.572 52.037 -0.119 0.000 0.620 426 A CB -0.674 18.221 19.000 -0.174 0.000 0.819 426 A HN 0.397 nan 8.150 nan 0.000 0.442 427 A N -0.287 122.472 122.820 -0.101 0.000 1.883 427 A HA -0.080 4.240 4.320 0.000 0.000 0.217 427 A C 2.155 179.707 177.584 -0.053 0.000 1.186 427 A CA 1.804 53.797 52.037 -0.073 0.000 0.624 427 A CB -0.692 18.269 19.000 -0.066 0.000 0.822 427 A HN 0.743 nan 8.150 nan 0.000 0.444 428 L N -0.249 120.941 121.223 -0.055 0.000 2.046 428 L HA -0.070 4.270 4.340 0.000 0.000 0.208 428 L C 2.673 179.518 176.870 -0.042 0.000 1.077 428 L CA 2.242 57.055 54.840 -0.044 0.000 0.747 428 L CB -0.794 41.236 42.059 -0.048 0.000 0.896 428 L HN 0.355 nan 8.230 nan 0.000 0.432 429 A N -0.282 122.506 122.820 -0.054 0.000 1.883 429 A HA -0.215 4.105 4.320 0.000 0.000 0.217 429 A C 2.272 179.823 177.584 -0.056 0.000 1.186 429 A CA 2.236 54.240 52.037 -0.056 0.000 0.624 429 A CB -1.043 17.915 19.000 -0.069 0.000 0.822 429 A HN 0.519 nan 8.150 nan 0.000 0.444 430 L N -0.723 120.462 121.223 -0.063 0.000 2.046 430 L HA -0.191 4.149 4.340 0.000 0.000 0.208 430 L C 2.684 179.535 176.870 -0.032 0.000 1.077 430 L CA 1.404 56.210 54.840 -0.057 0.000 0.747 430 L CB -0.656 41.366 42.059 -0.061 0.000 0.896 430 L HN 0.364 nan 8.230 nan 0.000 0.432 431 E N -0.201 119.989 120.200 -0.017 0.000 2.110 431 E HA -0.176 4.174 4.350 0.000 0.000 0.193 431 E C 2.078 178.675 176.600 -0.005 0.000 0.988 431 E CA 1.108 57.510 56.400 0.004 0.000 0.804 431 E CB -0.115 29.602 29.700 0.028 0.000 0.745 431 E HN 0.417 nan 8.360 nan 0.000 0.458 432 M N -0.801 118.790 119.600 -0.016 0.000 2.618 432 M HA 0.114 4.594 4.480 0.000 0.000 0.240 432 M C 0.862 177.151 176.300 -0.019 0.000 1.123 432 M CA 0.570 55.860 55.300 -0.016 0.000 1.060 432 M CB -0.504 32.083 32.600 -0.021 0.000 1.535 432 M HN 0.144 nan 8.290 nan 0.000 0.507 433 G N 1.708 110.494 108.800 -0.024 0.000 2.272 433 G HA2 -0.141 3.819 3.960 0.000 0.000 0.280 433 G HA3 -0.141 3.819 3.960 0.000 0.000 0.280 433 G C 0.277 175.158 174.900 -0.030 0.000 1.067 433 G CA 0.273 45.359 45.100 -0.025 0.000 0.902 433 G HN 0.780 nan 8.290 nan 0.000 0.500 434 A N -0.077 122.717 122.820 -0.043 0.000 2.351 434 A HA 0.852 5.172 4.320 0.000 0.000 0.257 434 A C 1.050 178.596 177.584 -0.063 0.000 1.087 434 A CA 0.878 52.887 52.037 -0.046 0.000 0.798 434 A CB 0.458 19.428 19.000 -0.050 0.000 1.033 434 A HN 1.831 nan 8.150 nan 0.000 0.488 435 T N -0.566 113.957 114.554 -0.052 0.000 2.912 435 T HA 0.448 4.798 4.350 0.000 0.000 0.280 435 T C 1.028 175.666 174.700 -0.105 0.000 0.989 435 T CA -0.843 61.218 62.100 -0.065 0.000 0.995 435 T CB 0.494 69.356 68.868 -0.010 0.000 1.077 435 T HN 0.287 nan 8.240 nan 0.000 0.531 436 L N 0.600 121.710 121.223 -0.189 0.000 2.131 436 L HA -0.049 4.291 4.340 0.000 0.000 0.210 436 L C 2.802 179.666 176.870 -0.011 0.000 1.092 436 L CA 1.733 56.399 54.840 -0.290 0.000 0.759 436 L CB -2.014 39.541 42.059 -0.840 0.000 0.903 436 L HN 0.872 nan 8.230 nan 0.000 0.435 437 T N -0.725 113.919 114.554 0.150 0.000 2.746 437 T HA -0.156 4.194 4.350 0.000 0.000 0.267 437 T C 1.505 176.235 174.700 0.051 0.000 1.039 437 T CA 1.212 63.403 62.100 0.151 0.000 1.142 437 T CB -0.097 68.812 68.868 0.068 0.000 0.866 437 T HN 0.308 nan 8.240 nan 0.000 0.444 438 D N 0.981 121.391 120.400 0.016 0.000 2.104 438 D HA -0.068 4.572 4.640 0.000 0.000 0.194 438 D C 2.071 178.377 176.300 0.010 0.000 0.994 438 D CA 0.784 54.785 54.000 0.003 0.000 0.830 438 D CB -0.346 40.446 40.800 -0.014 0.000 0.959 438 D HN 0.174 nan 8.370 nan 0.000 0.452 439 L N 0.986 122.205 121.223 -0.005 0.000 2.046 439 L HA -0.071 4.269 4.340 0.000 0.000 0.208 439 L C 2.189 179.079 176.870 0.033 0.000 1.077 439 L CA 1.587 56.432 54.840 0.009 0.000 0.747 439 L CB -0.714 41.310 42.059 -0.058 0.000 0.896 439 L HN -0.054 nan 8.230 nan 0.000 0.432 440 A N -1.222 121.607 122.820 0.015 0.000 1.968 440 A HA -0.057 4.263 4.320 0.000 0.000 0.217 440 A C 2.164 179.770 177.584 0.037 0.000 1.169 440 A CA 1.273 53.320 52.037 0.016 0.000 0.638 440 A CB -0.610 18.430 19.000 0.067 0.000 0.812 440 A HN 0.455 nan 8.150 nan 0.000 0.446 441 L N -0.171 121.077 121.223 0.042 0.000 2.395 441 L HA -0.008 4.332 4.340 0.000 0.000 0.218 441 L C 0.451 177.347 176.870 0.044 0.000 1.130 441 L CA 0.247 55.106 54.840 0.033 0.000 0.826 441 L CB -0.603 41.467 42.059 0.017 0.000 0.941 441 L HN 0.161 nan 8.230 nan 0.000 0.451 442 T N 1.209 115.807 114.554 0.074 0.000 2.853 442 T HA 0.106 4.456 4.350 0.000 0.000 0.298 442 T C 0.294 175.071 174.700 0.127 0.000 0.978 442 T CA -0.155 61.979 62.100 0.057 0.000 1.152 442 T CB 1.406 70.293 68.868 0.030 0.000 0.914 442 T HN -0.188 nan 8.240 nan 0.000 0.539 443 V N 6.219 126.157 119.914 0.041 0.000 2.381 443 V HA 0.094 4.214 4.120 0.000 0.000 0.257 443 V C 0.382 176.500 176.094 0.039 0.000 1.057 443 V CA -0.414 61.925 62.300 0.065 0.000 1.013 443 V CB -0.987 30.849 31.823 0.021 0.000 1.069 443 V HN 0.783 nan 8.190 nan 0.000 0.484 444 H N 5.312 124.374 119.070 -0.014 0.000 2.562 444 H HA 0.384 4.940 4.556 0.000 0.000 0.352 444 H C -2.092 173.246 175.328 0.017 0.000 1.125 444 H CA -1.687 54.355 56.048 -0.010 0.000 1.379 444 H CB 0.321 30.069 29.762 -0.023 0.000 1.464 444 H HN 0.447 nan 8.280 nan 0.000 0.563 445 P HA 0.099 nan 4.420 nan 0.000 0.271 445 P C -0.837 176.535 177.300 0.120 0.000 1.216 445 P CA -0.014 63.134 63.100 0.080 0.000 0.776 445 P CB 0.496 32.211 31.700 0.025 0.000 0.881 446 H N 2.496 121.585 119.070 0.033 0.000 2.489 446 H HA 0.528 5.084 4.556 0.000 0.000 0.343 446 H C -2.289 173.051 175.328 0.020 0.000 1.086 446 H CA -1.832 54.235 56.048 0.032 0.000 1.198 446 H CB 0.945 30.735 29.762 0.045 0.000 1.490 446 H HN 0.302 nan 8.280 nan 0.000 0.504 447 P HA 0.309 nan 4.420 nan 0.000 0.300 447 P C -1.339 175.822 177.300 -0.232 0.000 1.326 447 P CA -0.599 62.094 63.100 -0.679 0.000 0.844 447 P CB 1.793 33.055 31.700 -0.729 0.000 0.992 448 T N -1.130 113.353 114.554 -0.119 0.000 2.868 448 T HA 0.340 4.690 4.350 0.000 0.000 0.306 448 T C 1.057 175.748 174.700 -0.015 0.000 1.224 448 T CA -0.896 61.178 62.100 -0.044 0.000 1.012 448 T CB 0.885 69.751 68.868 -0.003 0.000 1.221 448 T HN 0.116 nan 8.240 nan 0.000 0.499 449 L N 1.484 122.704 121.223 -0.004 0.000 2.201 449 L HA -0.040 4.300 4.340 0.000 0.000 0.212 449 L C 3.037 179.909 176.870 0.003 0.000 1.105 449 L CA 1.532 56.377 54.840 0.009 0.000 0.775 449 L CB -0.560 41.505 42.059 0.011 0.000 0.913 449 L HN 0.962 nan 8.230 nan 0.000 0.440 450 S N -0.553 115.160 115.700 0.022 0.000 2.419 450 S HA -0.212 4.258 4.470 0.000 0.000 0.233 450 S C 1.629 176.233 174.600 0.006 0.000 1.016 450 S CA 1.065 59.303 58.200 0.064 0.000 0.974 450 S CB -0.329 62.959 63.200 0.148 0.000 0.786 450 S HN 0.492 nan 8.310 nan 0.000 0.492 451 E N 1.163 121.340 120.200 -0.038 0.000 2.267 451 E HA -0.070 4.280 4.350 0.000 0.000 0.197 451 E C 1.975 178.348 176.600 -0.378 0.000 0.998 451 E CA 1.072 57.354 56.400 -0.197 0.000 0.830 451 E CB -0.241 29.426 29.700 -0.054 0.000 0.751 451 E HN 0.600 nan 8.360 nan 0.000 0.491 452 S N 0.620 116.153 115.700 -0.278 0.000 2.419 452 S HA -0.125 4.345 4.470 0.000 0.000 0.233 452 S C 1.750 176.183 174.600 -0.278 0.000 1.016 452 S CA 0.717 58.720 58.200 -0.329 0.000 0.974 452 S CB -0.018 63.189 63.200 0.012 0.000 0.786 452 S HN 0.111 nan 8.310 nan 0.000 0.492 453 L N 0.941 122.012 121.223 -0.252 0.000 2.072 453 L HA 0.101 4.441 4.340 0.000 0.000 0.205 453 L C 2.327 179.009 176.870 -0.313 0.000 1.079 453 L CA 1.390 56.101 54.840 -0.216 0.000 0.752 453 L CB -0.718 41.255 42.059 -0.144 0.000 0.906 453 L HN 0.330 nan 8.230 nan 0.000 0.436 454 M N -0.570 118.687 119.600 -0.571 0.000 2.086 454 M HA -0.231 4.249 4.480 0.000 0.000 0.261 454 M C 2.158 178.265 176.300 -0.321 0.000 1.067 454 M CA 1.801 56.782 55.300 -0.532 0.000 1.116 454 M CB -0.072 32.060 32.600 -0.779 0.000 1.348 454 M HN 0.271 nan 8.290 nan 0.000 0.407 455 E N 0.078 120.030 120.200 -0.413 0.000 2.150 455 E HA -0.143 4.207 4.350 0.000 0.000 0.193 455 E C 1.967 178.482 176.600 -0.142 0.000 0.985 455 E CA 1.094 57.267 56.400 -0.379 0.000 0.814 455 E CB -0.158 28.981 29.700 -0.935 0.000 0.752 455 E HN 0.661 nan 8.360 nan 0.000 0.466 456 A N 1.652 124.408 122.820 -0.107 0.000 1.933 456 A HA -0.097 4.223 4.320 0.000 0.000 0.218 456 A C 2.406 180.003 177.584 0.022 0.000 1.175 456 A CA 1.598 53.668 52.037 0.055 0.000 0.628 456 A CB -0.479 18.550 19.000 0.048 0.000 0.814 456 A HN 0.280 nan 8.150 nan 0.000 0.444 457 A N -0.019 122.762 122.820 -0.065 0.000 1.902 457 A HA -0.170 4.150 4.320 0.000 0.000 0.217 457 A C 1.932 179.508 177.584 -0.014 0.000 1.181 457 A CA 1.573 53.552 52.037 -0.097 0.000 0.623 457 A CB -0.483 18.443 19.000 -0.122 0.000 0.818 457 A HN 0.636 nan 8.150 nan 0.000 0.443 458 E N -0.183 120.033 120.200 0.026 0.000 2.106 458 E HA -0.079 4.271 4.350 0.000 0.000 0.192 458 E C 2.296 178.970 176.600 0.124 0.000 0.984 458 E CA 0.836 57.297 56.400 0.102 0.000 0.806 458 E CB -0.308 29.419 29.700 0.045 0.000 0.750 458 E HN 0.605 nan 8.360 nan 0.000 0.458 459 A N 1.353 124.241 122.820 0.113 0.000 1.978 459 A HA -0.196 4.124 4.320 0.000 0.000 0.220 459 A C 1.959 179.609 177.584 0.110 0.000 1.170 459 A CA 1.039 53.152 52.037 0.126 0.000 0.636 459 A CB -0.780 18.317 19.000 0.162 0.000 0.810 459 A HN 0.336 nan 8.150 nan 0.000 0.448 460 F N 0.480 120.377 119.950 -0.089 0.000 2.161 460 F HA -0.205 4.322 4.527 0.000 0.000 0.300 460 F C 1.841 177.538 175.800 -0.171 0.000 1.089 460 F CA 2.161 60.058 58.000 -0.172 0.000 1.282 460 F CB -0.322 38.494 39.000 -0.307 0.000 1.010 460 F HN 0.435 nan 8.300 nan 0.000 0.485 461 H N 0.539 119.749 119.070 0.233 0.000 2.538 461 H HA 0.153 4.709 4.556 0.000 0.000 0.286 461 H C 0.136 175.482 175.328 0.030 0.000 1.035 461 H CA -0.120 55.994 56.048 0.109 0.000 1.169 461 H CB 0.037 29.893 29.762 0.157 0.000 1.417 461 H HN -0.086 nan 8.280 nan 0.000 0.567 462 K N 0.796 121.253 120.400 0.094 0.000 3.069 462 K HA -0.238 4.082 4.320 0.000 0.000 0.267 462 K C -0.116 176.527 176.600 0.072 0.000 1.082 462 K CA 0.992 57.314 56.287 0.058 0.000 0.782 462 K CB -2.038 30.477 32.500 0.025 0.000 1.230 462 K HN 0.772 nan 8.250 nan 0.000 0.488 463 Q N -1.850 118.007 119.800 0.096 0.000 2.088 463 Q HA 0.513 4.853 4.340 0.000 0.000 0.270 463 Q C 0.111 176.144 176.000 0.056 0.000 0.854 463 Q CA -0.051 55.793 55.803 0.068 0.000 1.104 463 Q CB 0.909 29.686 28.738 0.065 0.000 1.251 463 Q HN 0.257 nan 8.270 nan 0.000 0.436 464 A N 1.130 123.995 122.820 0.076 0.000 2.498 464 A HA 0.226 4.546 4.320 0.000 0.000 0.239 464 A C 0.868 178.481 177.584 0.048 0.000 1.068 464 A CA -0.203 51.884 52.037 0.083 0.000 0.766 464 A CB 0.198 19.307 19.000 0.182 0.000 1.003 464 A HN 0.450 nan 8.150 nan 0.000 0.497 465 I N 0.855 121.411 120.570 -0.023 0.000 2.628 465 I HA -0.057 4.113 4.170 0.000 0.000 0.255 465 I C 1.674 177.763 176.117 -0.047 0.000 1.119 465 I CA 1.500 62.735 61.300 -0.108 0.000 1.448 465 I CB -1.549 36.276 38.000 -0.293 0.000 1.133 465 I HN 0.863 nan 8.210 nan 0.000 0.438 466 H N 1.092 120.267 119.070 0.175 0.000 2.556 466 H HA 0.213 4.769 4.556 0.000 0.000 0.268 466 H C 0.406 175.838 175.328 0.173 0.000 0.996 466 H CA 0.037 56.217 56.048 0.219 0.000 1.157 466 H CB 0.153 30.122 29.762 0.344 0.000 1.355 466 H HN 0.316 nan 8.280 nan 0.000 0.597 467 I N -2.934 117.778 120.570 0.237 0.000 2.994 467 I HA 0.315 4.485 4.170 0.000 0.000 0.306 467 I C -1.088 175.073 176.117 0.073 0.000 1.195 467 I CA -1.407 59.948 61.300 0.093 0.000 1.001 467 I CB 2.313 40.309 38.000 -0.007 0.000 1.244 467 I HN -0.199 nan 8.210 nan 0.000 0.437 468 L N 4.055 125.300 121.223 0.036 0.000 2.367 468 L HA 0.335 4.676 4.340 0.000 0.000 0.275 468 L C 0.471 177.358 176.870 0.028 0.000 1.129 468 L CA -0.182 54.675 54.840 0.030 0.000 0.839 468 L CB 0.087 42.157 42.059 0.017 0.000 1.133 468 L HN 0.630 nan 8.230 nan 0.000 0.453 469 N N 0.000 118.719 118.700 0.031 0.000 1.763 469 N HA 0.000 4.740 4.740 0.000 0.000 0.220 469 N CA 0.000 53.067 53.050 0.029 0.000 0.885 469 N CB 0.000 38.508 38.487 0.035 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667