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 2v1u_1_A DATA FIRST_RESID 13 DATA SEQUENCE LESKIFRKRW VLLPDYVPDV LPHREAELRR LAEVLAPALR GEKPSNALLY DATA SEQUENCE GLTGTGKTAV ARLVLRRLEA RASSLGVLVK PIYVNARHRE TPYRVASAIA DATA SEQUENCE EAVGVRVPFT GLSVGEVYER LVKRLSRLRG IYIIVLDEID FLPKRPGGQD DATA SEQUENCE LLYRITRINQ ELXXXXXVSL VGITNSLGFV ENLEPRVKSS LGEVELVFPP DATA SEQUENCE YTAPQLRDIL ETRAEEAFNP GVLDPDVVPL CAALAAREHG DARRALDLLR DATA SEQUENCE VAGEIAERRR EERVRREHVY SARAEIERDR VSEVVRTLPL HAKLVLLSIM DATA SEQUENCE MLEDGGRPAS TGEIYERYKE LTSTLGLEHV TLRRVSGIIS ELDMLGIVKS DATA SEQUENCE RVVSRGRYGK TREVSLDADR LAVENALSED PFVARLL 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.887 176.870 0.028 0.000 1.165 13 L CA 0.000 54.850 54.840 0.017 0.000 0.813 13 L CB 0.000 42.068 42.059 0.014 0.000 0.961 14 E N 0.769 120.986 120.200 0.028 0.000 2.561 14 E HA 0.728 5.095 4.350 0.028 0.000 0.254 14 E C 0.115 176.741 176.600 0.043 0.000 1.213 14 E CA -0.682 55.741 56.400 0.039 0.000 0.995 14 E CB 1.632 31.351 29.700 0.032 0.000 1.233 14 E HN 0.227 nan 8.360 nan 0.000 0.556 15 S N 0.262 115.994 115.700 0.052 0.000 2.653 15 S HA 0.223 4.709 4.470 0.028 0.000 0.268 15 S C 0.192 174.799 174.600 0.013 0.000 1.153 15 S CA -0.843 57.373 58.200 0.028 0.000 1.036 15 S CB 1.677 64.892 63.200 0.025 0.000 1.103 15 S HN 0.649 nan 8.310 nan 0.000 0.466 16 K N 2.638 123.039 120.400 0.002 0.000 3.377 16 K HA -0.327 4.009 4.320 0.028 0.000 0.195 16 K C 1.085 177.656 176.600 -0.048 0.000 0.846 16 K CA 3.023 59.300 56.287 -0.017 0.000 0.766 16 K CB -1.726 30.762 32.500 -0.020 0.000 1.790 16 K HN 1.153 nan 8.250 nan 0.000 0.580 17 I N -3.394 117.119 120.570 -0.095 0.000 2.556 17 I HA 0.219 4.406 4.170 0.028 0.000 0.251 17 I C 0.707 176.661 176.117 -0.271 0.000 1.105 17 I CA 0.121 61.294 61.300 -0.212 0.000 1.436 17 I CB 0.026 37.841 38.000 -0.307 0.000 1.139 17 I HN 0.013 nan 8.210 nan 0.000 0.438 18 F N 1.465 121.375 119.950 -0.068 0.000 2.399 18 F HA 0.458 5.002 4.527 0.027 0.000 0.328 18 F C 1.553 177.270 175.800 -0.139 0.000 1.084 18 F CA -0.701 57.174 58.000 -0.208 0.000 1.053 18 F CB 1.304 40.156 39.000 -0.247 0.000 1.209 18 F HN -0.008 nan 8.300 nan 0.000 0.502 19 R N 0.266 120.788 120.500 0.036 0.000 2.316 19 R HA 0.335 4.692 4.340 0.028 0.000 0.201 19 R C -0.430 175.829 176.300 -0.069 0.000 0.888 19 R CA 0.063 56.160 56.100 -0.004 0.000 1.041 19 R CB 0.369 30.659 30.300 -0.016 0.000 1.115 19 R HN 0.487 nan 8.270 nan 0.000 0.559 20 K N 1.032 121.308 120.400 -0.206 0.000 2.865 20 K HA 0.247 4.584 4.320 0.028 0.000 0.215 20 K C -0.285 175.944 176.600 -0.619 0.000 1.120 20 K CA -0.322 55.706 56.287 -0.431 0.000 1.037 20 K CB 1.488 33.591 32.500 -0.661 0.000 1.233 20 K HN -0.006 nan 8.250 nan 0.000 0.577 21 R N 1.928 122.107 120.500 -0.534 0.000 2.083 21 R HA -0.129 4.227 4.340 0.028 0.000 0.237 21 R C 1.703 177.681 176.300 -0.536 0.000 1.137 21 R CA 2.252 57.851 56.100 -0.834 0.000 0.951 21 R CB -0.002 29.740 30.300 -0.929 0.000 0.851 21 R HN 0.694 nan 8.270 nan 0.000 0.434 22 W N -0.031 121.054 121.300 -0.359 0.000 2.350 22 W HA -0.123 4.554 4.660 0.030 0.000 0.289 22 W C 1.452 177.814 176.519 -0.261 0.000 1.215 22 W CA 0.414 57.607 57.345 -0.253 0.000 1.236 22 W CB -1.243 28.113 29.460 -0.173 0.000 1.130 22 W HN -0.088 nan 8.180 nan 0.000 0.541 23 V N 2.638 121.899 119.914 -1.090 0.000 2.370 23 V HA -0.336 3.800 4.120 0.028 0.000 0.252 23 V C 2.677 178.438 176.094 -0.555 0.000 1.068 23 V CA 2.173 63.715 62.300 -1.264 0.000 1.061 23 V CB -0.820 30.137 31.823 -1.443 0.000 0.656 23 V HN 0.197 nan 8.190 nan 0.000 0.455 24 L N -1.211 119.769 121.223 -0.406 0.000 2.291 24 L HA 0.034 4.391 4.340 0.028 0.000 0.214 24 L C 1.150 177.968 176.870 -0.087 0.000 1.120 24 L CA 0.260 54.983 54.840 -0.196 0.000 0.799 24 L CB -0.316 41.617 42.059 -0.211 0.000 0.925 24 L HN 0.255 nan 8.230 nan 0.000 0.446 25 L N 1.239 122.419 121.223 -0.071 0.000 2.479 25 L HA 0.019 4.376 4.340 0.028 0.000 0.270 25 L C -0.915 175.984 176.870 0.048 0.000 1.236 25 L CA -0.921 53.919 54.840 0.001 0.000 0.823 25 L CB 0.178 42.264 42.059 0.046 0.000 1.098 25 L HN -0.095 nan 8.230 nan 0.000 0.500 26 P HA -0.044 nan 4.420 nan 0.000 0.244 26 P C -0.336 176.987 177.300 0.037 0.000 1.211 26 P CA 0.779 63.901 63.100 0.038 0.000 0.760 26 P CB 0.185 31.902 31.700 0.028 0.000 0.961 27 D N -2.156 118.283 120.400 0.065 0.000 2.514 27 D HA -0.021 4.635 4.640 0.028 0.000 0.249 27 D C 0.453 176.803 176.300 0.082 0.000 1.036 27 D CA -0.173 53.852 54.000 0.042 0.000 0.911 27 D CB -1.076 39.741 40.800 0.029 0.000 1.145 27 D HN 0.065 nan 8.370 nan 0.000 0.495 28 Y N 2.960 123.288 120.300 0.046 0.000 2.849 28 Y HA 0.081 4.647 4.550 0.027 0.000 0.362 28 Y C -0.419 175.486 175.900 0.009 0.000 1.320 28 Y CA -0.397 57.740 58.100 0.063 0.000 1.678 28 Y CB 0.093 38.568 38.460 0.025 0.000 1.220 28 Y HN -0.293 nan 8.280 nan 0.000 0.518 29 V N 10.404 130.103 119.914 -0.359 0.000 2.405 29 V HA 0.169 4.306 4.120 0.028 0.000 0.264 29 V C -1.558 174.076 176.094 -0.768 0.000 1.048 29 V CA -1.524 60.541 62.300 -0.391 0.000 0.966 29 V CB 0.159 31.841 31.823 -0.235 0.000 1.015 29 V HN 0.710 nan 8.190 nan 0.000 0.477 30 P HA 0.249 nan 4.420 nan 0.000 0.277 30 P C -0.197 176.976 177.300 -0.212 0.000 1.276 30 P CA -0.207 62.623 63.100 -0.449 0.000 0.788 30 P CB 1.481 33.193 31.700 0.020 0.000 1.114 31 D N -2.047 118.311 120.400 -0.070 0.000 2.449 31 D HA 0.109 4.766 4.640 0.028 0.000 0.210 31 D C -0.210 176.089 176.300 -0.001 0.000 1.094 31 D CA 0.139 54.118 54.000 -0.035 0.000 0.846 31 D CB 0.573 41.368 40.800 -0.007 0.000 1.003 31 D HN 0.037 nan 8.370 nan 0.000 0.504 32 V N 1.062 120.987 119.914 0.017 0.000 2.628 32 V HA 0.541 4.678 4.120 0.028 0.000 0.306 32 V C -1.565 174.549 176.094 0.034 0.000 1.045 32 V CA -0.639 61.674 62.300 0.022 0.000 0.905 32 V CB 1.594 33.429 31.823 0.020 0.000 0.997 32 V HN -0.044 nan 8.190 nan 0.000 0.436 33 L N 7.589 128.837 121.223 0.043 0.000 2.401 33 L HA 0.498 4.855 4.340 0.028 0.000 0.263 33 L C -2.513 174.405 176.870 0.080 0.000 1.004 33 L CA -1.614 53.271 54.840 0.076 0.000 0.881 33 L CB 1.851 43.972 42.059 0.105 0.000 1.219 33 L HN 0.492 nan 8.230 nan 0.000 0.441 34 P HA 0.098 nan 4.420 nan 0.000 0.268 34 P C 0.078 177.466 177.300 0.145 0.000 1.204 34 P CA 0.345 63.444 63.100 -0.002 0.000 0.768 34 P CB 0.271 31.997 31.700 0.044 0.000 0.842 35 H N 0.733 119.866 119.070 0.105 0.000 3.882 35 H HA -0.137 4.436 4.556 0.029 0.000 0.165 35 H C 0.113 175.536 175.328 0.158 0.000 0.896 35 H CA 0.782 56.916 56.048 0.145 0.000 1.243 35 H CB -0.896 28.995 29.762 0.216 0.000 0.958 35 H HN 0.528 nan 8.280 nan 0.000 0.400 36 R N 1.318 121.958 120.500 0.233 0.000 2.903 36 R HA 0.178 4.535 4.340 0.028 0.000 0.363 36 R C 0.530 176.878 176.300 0.081 0.000 1.161 36 R CA -0.080 56.115 56.100 0.159 0.000 1.109 36 R CB 0.659 31.126 30.300 0.278 0.000 1.399 36 R HN 0.319 nan 8.270 nan 0.000 0.587 37 E N 1.069 121.292 120.200 0.039 0.000 2.072 37 E HA -0.041 4.326 4.350 0.028 0.000 0.190 37 E C 1.948 178.541 176.600 -0.012 0.000 0.982 37 E CA 1.430 57.836 56.400 0.011 0.000 0.803 37 E CB 0.040 29.736 29.700 -0.006 0.000 0.755 37 E HN 0.369 nan 8.360 nan 0.000 0.453 38 A N 1.117 123.917 122.820 -0.034 0.000 1.873 38 A HA -0.205 4.132 4.320 0.028 0.000 0.215 38 A C 1.896 179.422 177.584 -0.096 0.000 1.186 38 A CA 1.592 53.593 52.037 -0.059 0.000 0.616 38 A CB -0.448 18.511 19.000 -0.068 0.000 0.823 38 A HN 0.102 nan 8.150 nan 0.000 0.442 39 E N -0.305 119.795 120.200 -0.167 0.000 2.110 39 E HA -0.140 4.227 4.350 0.028 0.000 0.193 39 E C 1.796 178.360 176.600 -0.060 0.000 0.988 39 E CA 0.793 57.038 56.400 -0.258 0.000 0.804 39 E CB -0.396 28.899 29.700 -0.674 0.000 0.745 39 E HN 0.426 nan 8.360 nan 0.000 0.458 40 L N 0.736 121.960 121.223 0.002 0.000 2.017 40 L HA -0.125 4.231 4.340 0.028 0.000 0.208 40 L C 2.098 178.977 176.870 0.016 0.000 1.073 40 L CA 1.859 56.724 54.840 0.041 0.000 0.745 40 L CB -0.373 41.713 42.059 0.044 0.000 0.894 40 L HN -0.031 nan 8.230 nan 0.000 0.432 41 R N -1.528 118.969 120.500 -0.005 0.000 2.090 41 R HA -0.059 4.298 4.340 0.028 0.000 0.228 41 R C 2.448 178.742 176.300 -0.010 0.000 1.110 41 R CA 0.860 56.956 56.100 -0.007 0.000 0.973 41 R CB -0.118 30.174 30.300 -0.013 0.000 0.869 41 R HN 0.273 nan 8.270 nan 0.000 0.440 42 R N 0.364 120.850 120.500 -0.024 0.000 2.075 42 R HA -0.157 4.200 4.340 0.028 0.000 0.230 42 R C 2.260 178.556 176.300 -0.005 0.000 1.140 42 R CA 1.449 57.535 56.100 -0.024 0.000 0.928 42 R CB -0.674 29.597 30.300 -0.047 0.000 0.834 42 R HN 0.136 nan 8.270 nan 0.000 0.429 43 L N 0.885 122.112 121.223 0.007 0.000 2.129 43 L HA -0.210 4.147 4.340 0.028 0.000 0.212 43 L C 2.248 179.132 176.870 0.024 0.000 1.087 43 L CA 2.011 56.869 54.840 0.029 0.000 0.757 43 L CB -0.458 41.639 42.059 0.064 0.000 0.896 43 L HN 0.218 nan 8.230 nan 0.000 0.434 44 A N -0.366 122.465 122.820 0.018 0.000 1.898 44 A HA -0.225 4.112 4.320 0.028 0.000 0.216 44 A C 2.157 179.746 177.584 0.007 0.000 1.181 44 A CA 1.486 53.530 52.037 0.013 0.000 0.620 44 A CB -0.654 18.352 19.000 0.010 0.000 0.819 44 A HN 0.696 nan 8.150 nan 0.000 0.442 45 E N -0.397 119.805 120.200 0.003 0.000 2.502 45 E HA 0.058 4.425 4.350 0.028 0.000 0.194 45 E C 1.086 177.688 176.600 0.002 0.000 1.062 45 E CA 0.906 57.307 56.400 0.001 0.000 0.867 45 E CB 0.108 29.806 29.700 -0.003 0.000 0.888 45 E HN 0.293 nan 8.360 nan 0.000 0.510 46 V N 0.139 120.057 119.914 0.006 0.000 3.643 46 V HA 0.188 4.325 4.120 0.028 0.000 0.280 46 V C 1.139 177.241 176.094 0.012 0.000 1.351 46 V CA 0.045 62.350 62.300 0.008 0.000 1.073 46 V CB 0.236 32.064 31.823 0.009 0.000 0.863 46 V HN 0.414 nan 8.190 nan 0.000 0.436 47 L N -0.751 120.479 121.223 0.012 0.000 2.840 47 L HA 0.394 4.750 4.340 0.028 0.000 0.249 47 L C 2.453 179.326 176.870 0.006 0.000 1.119 47 L CA 0.981 55.828 54.840 0.012 0.000 0.930 47 L CB -0.211 41.859 42.059 0.018 0.000 1.295 47 L HN 0.334 nan 8.230 nan 0.000 0.534 48 A N 1.664 124.487 122.820 0.004 0.000 1.917 48 A HA -0.137 4.199 4.320 0.028 0.000 0.219 48 A C -0.405 177.178 177.584 -0.002 0.000 1.182 48 A CA 1.681 53.718 52.037 0.000 0.000 0.633 48 A CB -1.684 17.317 19.000 0.000 0.000 0.819 48 A HN 0.249 nan 8.150 nan 0.000 0.448 49 P HA -0.100 nan 4.420 nan 0.000 0.223 49 P C 1.233 178.531 177.300 -0.002 0.000 1.144 49 P CA 1.510 64.610 63.100 -0.000 0.000 0.783 49 P CB -0.101 31.600 31.700 0.003 0.000 0.771 50 A N -1.813 121.005 122.820 -0.003 0.000 2.239 50 A HA -0.039 4.298 4.320 0.028 0.000 0.209 50 A C 1.872 179.446 177.584 -0.017 0.000 1.171 50 A CA 0.707 52.739 52.037 -0.009 0.000 0.768 50 A CB -1.150 17.844 19.000 -0.010 0.000 0.790 50 A HN 0.132 nan 8.150 nan 0.000 0.478 51 L N -1.017 120.197 121.223 -0.014 0.000 2.200 51 L HA 0.143 4.500 4.340 0.028 0.000 0.200 51 L C 2.310 179.172 176.870 -0.014 0.000 1.072 51 L CA 1.448 56.278 54.840 -0.017 0.000 0.787 51 L CB -0.324 41.728 42.059 -0.012 0.000 0.957 51 L HN 0.334 nan 8.230 nan 0.000 0.459 52 R N -0.683 119.811 120.500 -0.010 0.000 1.963 52 R HA 0.418 4.774 4.340 0.028 0.000 0.193 52 R C 0.500 176.796 176.300 -0.007 0.000 1.437 52 R CA 0.408 56.503 56.100 -0.008 0.000 1.176 52 R CB -1.171 29.125 30.300 -0.005 0.000 0.864 52 R HN 0.290 nan 8.270 nan 0.000 0.495 53 G N 1.327 110.125 108.800 -0.004 0.000 2.954 53 G HA2 -0.244 3.732 3.960 0.028 0.000 0.672 53 G HA3 -0.244 3.732 3.960 0.028 0.000 0.672 53 G C -0.395 174.503 174.900 -0.002 0.000 1.598 53 G CA 0.319 45.417 45.100 -0.003 0.000 1.063 53 G HN 0.553 nan 8.290 nan 0.000 0.584 54 E N -0.602 119.599 120.200 0.002 0.000 1.740 54 E HA 0.360 4.727 4.350 0.028 0.000 0.141 54 E C -0.453 176.153 176.600 0.010 0.000 1.657 54 E CA -1.163 55.240 56.400 0.004 0.000 1.018 54 E CB 0.163 29.867 29.700 0.007 0.000 1.903 54 E HN 0.399 nan 8.360 nan 0.000 0.626 55 K N 3.026 123.435 120.400 0.015 0.000 2.401 55 K HA 0.048 4.385 4.320 0.028 0.000 0.267 55 K C -2.059 174.552 176.600 0.019 0.000 1.140 55 K CA -0.239 56.060 56.287 0.021 0.000 1.199 55 K CB -0.569 31.946 32.500 0.026 0.000 0.822 55 K HN 0.277 nan 8.250 nan 0.000 0.488 56 P HA 0.076 nan 4.420 nan 0.000 0.275 56 P C -0.734 176.579 177.300 0.022 0.000 1.228 56 P CA -0.323 62.788 63.100 0.019 0.000 0.786 56 P CB 0.599 32.310 31.700 0.019 0.000 0.927 57 S N 2.312 118.023 115.700 0.019 0.000 2.549 57 S HA 0.083 4.569 4.470 0.028 0.000 0.283 57 S C 0.578 175.192 174.600 0.023 0.000 1.320 57 S CA -0.391 57.821 58.200 0.020 0.000 1.058 57 S CB -0.339 62.870 63.200 0.015 0.000 0.882 57 S HN 0.413 nan 8.310 nan 0.000 0.498 58 N N 1.472 120.188 118.700 0.028 0.000 2.453 58 N HA 0.544 5.301 4.740 0.028 0.000 0.253 58 N C -0.147 175.380 175.510 0.027 0.000 1.252 58 N CA 0.193 53.262 53.050 0.032 0.000 0.917 58 N CB 0.805 39.316 38.487 0.039 0.000 1.117 58 N HN 0.838 nan 8.380 nan 0.000 0.442 59 A N 0.701 123.538 122.820 0.030 0.000 2.610 59 A HA 0.730 5.067 4.320 0.028 0.000 0.291 59 A C -1.818 175.780 177.584 0.023 0.000 1.086 59 A CA -0.517 51.531 52.037 0.019 0.000 0.677 59 A CB 1.252 20.261 19.000 0.015 0.000 1.278 59 A HN 0.504 nan 8.150 nan 0.000 0.414 60 L N -0.083 121.138 121.223 -0.003 0.000 2.505 60 L HA 0.781 5.137 4.340 0.028 0.000 0.259 60 L C -2.086 174.735 176.870 -0.082 0.000 0.952 60 L CA -0.209 54.625 54.840 -0.011 0.000 0.840 60 L CB 1.938 43.996 42.059 -0.001 0.000 1.358 60 L HN 0.574 nan 8.230 nan 0.000 0.409 61 L N 5.579 126.785 121.223 -0.028 0.000 2.454 61 L HA 0.468 4.825 4.340 0.028 0.000 0.258 61 L C -1.011 175.892 176.870 0.056 0.000 1.025 61 L CA -0.557 54.290 54.840 0.012 0.000 0.901 61 L CB 0.815 42.974 42.059 0.166 0.000 1.210 61 L HN 0.531 nan 8.230 nan 0.000 0.457 62 Y N 0.182 120.575 120.300 0.154 0.000 2.336 62 Y HA 0.877 5.443 4.550 0.027 0.000 0.331 62 Y C 0.890 176.863 175.900 0.122 0.000 1.211 62 Y CA -0.538 57.634 58.100 0.120 0.000 1.346 62 Y CB 0.811 39.344 38.460 0.123 0.000 1.271 62 Y HN 0.561 nan 8.280 nan 0.000 0.538 63 G N 1.416 110.365 108.800 0.248 0.000 2.322 63 G HA2 0.361 4.338 3.960 0.028 0.000 0.295 63 G HA3 0.361 4.338 3.960 0.028 0.000 0.295 63 G C -2.169 172.755 174.900 0.040 0.000 1.369 63 G CA -1.253 43.938 45.100 0.152 0.000 0.821 63 G HN 0.734 nan 8.290 nan 0.000 0.536 64 L N 0.450 121.663 121.223 -0.017 0.000 2.365 64 L HA 0.595 4.952 4.340 0.028 0.000 0.267 64 L C 1.240 178.107 176.870 -0.004 0.000 1.033 64 L CA -0.832 53.948 54.840 -0.099 0.000 0.802 64 L CB 1.874 43.718 42.059 -0.358 0.000 1.267 64 L HN 0.841 nan 8.230 nan 0.000 0.457 65 T N -1.417 113.177 114.554 0.067 0.000 2.916 65 T HA 0.331 4.698 4.350 0.028 0.000 0.303 65 T C 0.897 175.749 174.700 0.253 0.000 1.025 65 T CA 0.136 62.334 62.100 0.163 0.000 1.142 65 T CB 0.982 69.967 68.868 0.195 0.000 0.947 65 T HN 0.986 nan 8.240 nan 0.000 0.544 66 G N 2.386 111.289 108.800 0.172 0.000 2.136 66 G HA2 -0.312 3.665 3.960 0.028 0.000 0.242 66 G HA3 -0.312 3.665 3.960 0.028 0.000 0.242 66 G C 0.693 175.784 174.900 0.318 0.000 0.989 66 G CA 0.539 45.765 45.100 0.211 0.000 0.682 66 G HN 1.380 nan 8.290 nan 0.000 0.522 67 T N -2.369 112.299 114.554 0.190 0.000 3.081 67 T HA 0.429 4.795 4.350 0.028 0.000 0.255 67 T C 2.186 176.998 174.700 0.187 0.000 1.113 67 T CA 1.354 63.518 62.100 0.106 0.000 1.082 67 T CB 0.416 69.275 68.868 -0.014 0.000 0.939 67 T HN 2.167 nan 8.240 nan 0.000 0.506 68 G N 1.683 110.555 108.800 0.121 0.000 2.142 68 G HA2 -0.263 3.714 3.960 0.028 0.000 0.225 68 G HA3 -0.263 3.714 3.960 0.028 0.000 0.225 68 G C 0.596 175.393 174.900 -0.171 0.000 1.015 68 G CA 0.362 45.522 45.100 0.100 0.000 0.716 68 G HN 0.545 nan 8.290 nan 0.000 0.508 69 K N -0.374 119.708 120.400 -0.529 0.000 1.973 69 K HA -0.041 4.296 4.320 0.028 0.000 0.210 69 K C 2.706 179.114 176.600 -0.321 0.000 1.045 69 K CA 1.987 57.713 56.287 -0.934 0.000 0.937 69 K CB -0.519 31.497 32.500 -0.806 0.000 0.721 69 K HN 0.319 nan 8.250 nan 0.000 0.438 70 T N 1.562 116.023 114.554 -0.155 0.000 2.653 70 T HA -0.273 4.093 4.350 0.028 0.000 0.268 70 T C 2.046 176.738 174.700 -0.013 0.000 1.035 70 T CA 1.633 63.723 62.100 -0.018 0.000 1.154 70 T CB -0.634 68.246 68.868 0.020 0.000 0.862 70 T HN 0.382 nan 8.240 nan 0.000 0.441 71 A N 1.142 123.950 122.820 -0.019 0.000 1.881 71 A HA -0.165 4.172 4.320 0.028 0.000 0.219 71 A C 2.639 180.236 177.584 0.022 0.000 1.215 71 A CA 2.248 54.285 52.037 -0.001 0.000 0.648 71 A CB -1.363 17.659 19.000 0.037 0.000 0.832 71 A HN 0.356 nan 8.150 nan 0.000 0.455 72 V N -0.417 119.540 119.914 0.071 0.000 2.214 72 V HA -0.257 3.879 4.120 0.028 0.000 0.245 72 V C 3.097 179.248 176.094 0.094 0.000 1.047 72 V CA 2.329 64.705 62.300 0.128 0.000 0.998 72 V CB -1.456 30.541 31.823 0.291 0.000 0.633 72 V HN 0.710 nan 8.190 nan 0.000 0.446 73 A N -0.365 122.515 122.820 0.099 0.000 1.869 73 A HA -0.325 4.011 4.320 0.028 0.000 0.218 73 A C 2.365 179.996 177.584 0.079 0.000 1.203 73 A CA 2.425 54.522 52.037 0.099 0.000 0.638 73 A CB -0.747 18.318 19.000 0.108 0.000 0.831 73 A HN 0.458 nan 8.150 nan 0.000 0.450 74 R N -1.102 119.433 120.500 0.057 0.000 2.117 74 R HA -0.148 4.208 4.340 0.028 0.000 0.243 74 R C 2.242 178.530 176.300 -0.019 0.000 1.143 74 R CA 1.608 57.706 56.100 -0.003 0.000 0.968 74 R CB -0.668 29.566 30.300 -0.110 0.000 0.863 74 R HN 0.666 nan 8.270 nan 0.000 0.444 75 L N 0.366 121.581 121.223 -0.014 0.000 1.961 75 L HA -0.191 4.166 4.340 0.028 0.000 0.210 75 L C 2.306 179.177 176.870 0.002 0.000 1.072 75 L CA 1.324 56.153 54.840 -0.019 0.000 0.749 75 L CB -0.467 41.585 42.059 -0.013 0.000 0.889 75 L HN -0.067 nan 8.230 nan 0.000 0.432 76 V N 0.433 120.362 119.914 0.025 0.000 2.313 76 V HA -0.402 3.735 4.120 0.028 0.000 0.253 76 V C 2.516 178.623 176.094 0.021 0.000 1.070 76 V CA 2.336 64.652 62.300 0.028 0.000 1.057 76 V CB -0.573 31.276 31.823 0.045 0.000 0.653 76 V HN 0.435 nan 8.190 nan 0.000 0.450 77 L N -0.688 120.552 121.223 0.028 0.000 2.046 77 L HA -0.213 4.143 4.340 0.028 0.000 0.208 77 L C 2.729 179.604 176.870 0.008 0.000 1.077 77 L CA 2.176 57.033 54.840 0.027 0.000 0.747 77 L CB -0.584 41.506 42.059 0.052 0.000 0.896 77 L HN 0.374 nan 8.230 nan 0.000 0.432 78 R N 0.487 120.984 120.500 -0.006 0.000 2.080 78 R HA -0.214 4.143 4.340 0.028 0.000 0.236 78 R C 2.386 178.679 176.300 -0.012 0.000 1.137 78 R CA 1.772 57.862 56.100 -0.017 0.000 0.943 78 R CB -0.185 30.095 30.300 -0.034 0.000 0.846 78 R HN 0.192 nan 8.270 nan 0.000 0.431 79 R N 0.066 120.561 120.500 -0.008 0.000 2.073 79 R HA -0.121 4.236 4.340 0.028 0.000 0.234 79 R C 2.406 178.703 176.300 -0.006 0.000 1.134 79 R CA 1.496 57.592 56.100 -0.006 0.000 0.952 79 R CB -0.656 29.642 30.300 -0.002 0.000 0.850 79 R HN 0.210 nan 8.270 nan 0.000 0.433 80 L N 1.510 122.731 121.223 -0.003 0.000 2.137 80 L HA -0.236 4.120 4.340 0.028 0.000 0.213 80 L C 2.098 178.959 176.870 -0.016 0.000 1.085 80 L CA 1.832 56.668 54.840 -0.007 0.000 0.760 80 L CB -0.284 41.774 42.059 -0.002 0.000 0.893 80 L HN 0.227 nan 8.230 nan 0.000 0.434 81 E N -1.318 118.873 120.200 -0.015 0.000 2.122 81 E HA -0.100 4.267 4.350 0.028 0.000 0.190 81 E C 2.156 178.745 176.600 -0.019 0.000 0.977 81 E CA 0.686 57.074 56.400 -0.021 0.000 0.820 81 E CB -0.096 29.595 29.700 -0.016 0.000 0.770 81 E HN 0.564 nan 8.360 nan 0.000 0.462 82 A N 1.451 124.262 122.820 -0.014 0.000 1.978 82 A HA -0.181 4.155 4.320 0.028 0.000 0.220 82 A C 2.071 179.648 177.584 -0.011 0.000 1.170 82 A CA 1.157 53.187 52.037 -0.011 0.000 0.636 82 A CB -0.305 18.690 19.000 -0.008 0.000 0.810 82 A HN 0.100 nan 8.150 nan 0.000 0.448 83 R N -0.567 119.926 120.500 -0.013 0.000 2.057 83 R HA 0.140 4.496 4.340 0.028 0.000 0.224 83 R C 2.475 178.765 176.300 -0.017 0.000 1.136 83 R CA 1.338 57.430 56.100 -0.013 0.000 0.968 83 R CB -1.578 28.715 30.300 -0.011 0.000 0.863 83 R HN 0.453 nan 8.270 nan 0.000 0.433 84 A N 1.268 124.074 122.820 -0.024 0.000 1.948 84 A HA -0.165 4.172 4.320 0.028 0.000 0.220 84 A C 2.275 179.841 177.584 -0.030 0.000 1.177 84 A CA 2.116 54.133 52.037 -0.032 0.000 0.636 84 A CB -0.541 18.431 19.000 -0.046 0.000 0.815 84 A HN 0.317 nan 8.150 nan 0.000 0.449 85 S N -0.895 114.791 115.700 -0.025 0.000 2.428 85 S HA -0.064 4.422 4.470 0.028 0.000 0.230 85 S C 2.159 176.749 174.600 -0.016 0.000 1.014 85 S CA 1.192 59.379 58.200 -0.021 0.000 0.957 85 S CB -0.130 63.059 63.200 -0.018 0.000 0.784 85 S HN 0.727 nan 8.310 nan 0.000 0.499 86 S N 0.876 116.567 115.700 -0.014 0.000 2.421 86 S HA 0.207 4.693 4.470 0.028 0.000 0.224 86 S C 1.694 176.287 174.600 -0.011 0.000 1.035 86 S CA 0.164 58.358 58.200 -0.011 0.000 0.953 86 S CB -0.222 62.973 63.200 -0.008 0.000 0.810 86 S HN 0.405 nan 8.310 nan 0.000 0.497 87 L N 0.499 121.714 121.223 -0.014 0.000 2.068 87 L HA 0.226 4.582 4.340 0.028 0.000 0.204 87 L C 1.943 178.804 176.870 -0.015 0.000 1.076 87 L CA 0.928 55.759 54.840 -0.014 0.000 0.753 87 L CB -0.677 41.373 42.059 -0.015 0.000 0.910 87 L HN 0.596 nan 8.230 nan 0.000 0.439 88 G N 0.148 108.936 108.800 -0.020 0.000 2.130 88 G HA2 -0.226 3.751 3.960 0.028 0.000 0.216 88 G HA3 -0.226 3.751 3.960 0.028 0.000 0.216 88 G C -0.027 174.859 174.900 -0.024 0.000 0.999 88 G CA 0.099 45.186 45.100 -0.021 0.000 0.686 88 G HN 0.176 nan 8.290 nan 0.000 0.515 89 V N 1.380 121.276 119.914 -0.030 0.000 2.368 89 V HA 0.669 4.806 4.120 0.028 0.000 0.266 89 V C 0.932 176.991 176.094 -0.059 0.000 1.045 89 V CA -1.118 61.160 62.300 -0.037 0.000 0.899 89 V CB 0.883 32.686 31.823 -0.033 0.000 1.006 89 V HN 0.500 nan 8.190 nan 0.000 0.470 90 L N 7.190 128.373 121.223 -0.067 0.000 2.667 90 L HA 0.141 4.497 4.340 0.028 0.000 0.278 90 L C 0.014 176.780 176.870 -0.173 0.000 1.217 90 L CA 1.185 55.957 54.840 -0.114 0.000 0.935 90 L CB 0.720 42.717 42.059 -0.104 0.000 1.193 90 L HN 0.566 nan 8.230 nan 0.000 0.493 91 V N 5.117 124.905 119.914 -0.209 0.000 2.722 91 V HA 0.197 4.334 4.120 0.028 0.000 0.260 91 V C -0.289 175.643 176.094 -0.269 0.000 0.941 91 V CA -0.981 61.175 62.300 -0.240 0.000 0.888 91 V CB 1.374 33.121 31.823 -0.126 0.000 1.059 91 V HN 0.679 nan 8.190 nan 0.000 0.486 92 K N 7.062 127.159 120.400 -0.505 0.000 2.297 92 K HA 0.551 4.888 4.320 0.028 0.000 0.286 92 K C -2.677 173.869 176.600 -0.090 0.000 1.053 92 K CA -1.754 54.348 56.287 -0.308 0.000 0.940 92 K CB 1.221 33.501 32.500 -0.368 0.000 1.019 92 K HN 0.305 nan 8.250 nan 0.000 0.475 93 P HA 0.328 nan 4.420 nan 0.000 0.303 93 P C -0.943 176.413 177.300 0.094 0.000 1.350 93 P CA -0.705 62.426 63.100 0.052 0.000 0.880 93 P CB 0.929 32.651 31.700 0.037 0.000 1.018 94 I N 1.336 121.975 120.570 0.114 0.000 2.465 94 I HA 0.487 4.674 4.170 0.028 0.000 0.291 94 I C -1.695 174.495 176.117 0.122 0.000 1.014 94 I CA -1.240 60.131 61.300 0.118 0.000 1.093 94 I CB 1.959 40.021 38.000 0.104 0.000 1.267 94 I HN 0.289 nan 8.210 nan 0.000 0.431 95 Y N 6.002 126.317 120.300 0.024 0.000 2.331 95 Y HA 0.654 5.220 4.550 0.027 0.000 0.338 95 Y C -1.190 174.718 175.900 0.012 0.000 0.976 95 Y CA -0.456 57.652 58.100 0.014 0.000 1.137 95 Y CB 1.482 39.943 38.460 0.001 0.000 1.172 95 Y HN 0.486 nan 8.280 nan 0.000 0.478 96 V N 6.568 126.198 119.914 -0.474 0.000 2.487 96 V HA 0.269 4.406 4.120 0.028 0.000 0.298 96 V C -0.747 175.061 176.094 -0.477 0.000 1.028 96 V CA -1.076 61.037 62.300 -0.311 0.000 0.860 96 V CB 1.715 33.462 31.823 -0.126 0.000 0.991 96 V HN 0.789 nan 8.190 nan 0.000 0.427 97 N N 3.543 122.118 118.700 -0.209 0.000 2.485 97 N HA 0.383 5.139 4.740 0.028 0.000 0.243 97 N C 0.726 176.187 175.510 -0.081 0.000 0.987 97 N CA 0.160 53.140 53.050 -0.117 0.000 0.940 97 N CB 1.964 40.520 38.487 0.115 0.000 1.122 97 N HN 0.724 nan 8.380 nan 0.000 0.509 98 A N 4.352 127.092 122.820 -0.133 0.000 1.930 98 A HA -0.136 4.201 4.320 0.028 0.000 0.217 98 A C 2.160 179.642 177.584 -0.170 0.000 1.175 98 A CA 1.273 53.247 52.037 -0.105 0.000 0.627 98 A CB -0.245 18.707 19.000 -0.079 0.000 0.815 98 A HN 0.738 nan 8.150 nan 0.000 0.443 99 R N -1.357 118.927 120.500 -0.361 0.000 2.057 99 R HA -0.115 4.242 4.340 0.028 0.000 0.229 99 R C 2.081 178.247 176.300 -0.223 0.000 1.136 99 R CA 1.815 57.578 56.100 -0.562 0.000 0.952 99 R CB -0.612 29.152 30.300 -0.894 0.000 0.848 99 R HN 0.654 nan 8.270 nan 0.000 0.430 100 H N -0.801 118.178 119.070 -0.152 0.000 2.521 100 H HA 0.134 4.706 4.556 0.027 0.000 0.286 100 H C -0.181 175.128 175.328 -0.031 0.000 1.034 100 H CA 1.010 57.019 56.048 -0.065 0.000 1.278 100 H CB 0.312 30.057 29.762 -0.028 0.000 1.386 100 H HN -0.032 nan 8.280 nan 0.000 0.567 101 R N -0.037 120.512 120.500 0.081 0.000 2.575 101 R HA 0.118 4.475 4.340 0.028 0.000 0.292 101 R C -0.122 176.202 176.300 0.041 0.000 1.246 101 R CA -0.127 56.012 56.100 0.067 0.000 0.973 101 R CB 1.164 31.518 30.300 0.090 0.000 1.187 101 R HN 0.355 nan 8.270 nan 0.000 0.478 102 E N -0.053 120.170 120.200 0.038 0.000 2.250 102 E HA -0.036 4.330 4.350 0.028 0.000 0.192 102 E C 0.726 177.380 176.600 0.090 0.000 0.986 102 E CA 0.472 56.906 56.400 0.056 0.000 0.849 102 E CB 0.504 30.248 29.700 0.073 0.000 0.797 102 E HN 0.304 nan 8.360 nan 0.000 0.482 103 T N 0.691 115.294 114.554 0.081 0.000 2.927 103 T HA 0.135 4.502 4.350 0.028 0.000 0.281 103 T C -1.817 172.956 174.700 0.121 0.000 0.998 103 T CA -2.574 59.583 62.100 0.096 0.000 1.019 103 T CB 1.075 69.990 68.868 0.078 0.000 1.061 103 T HN -0.231 nan 8.240 nan 0.000 0.518 104 P HA -0.131 nan 4.420 nan 0.000 0.215 104 P C 1.253 178.649 177.300 0.161 0.000 1.157 104 P CA 1.319 64.490 63.100 0.119 0.000 0.868 104 P CB -0.247 31.509 31.700 0.092 0.000 0.788 105 Y N 1.851 122.170 120.300 0.031 0.000 1.956 105 Y HA -0.318 4.249 4.550 0.028 0.000 0.258 105 Y C 2.825 178.747 175.900 0.036 0.000 1.152 105 Y CA 2.049 60.167 58.100 0.029 0.000 1.093 105 Y CB -0.500 37.971 38.460 0.017 0.000 0.945 105 Y HN -0.251 nan 8.280 nan 0.000 0.488 106 R N -0.346 120.418 120.500 0.440 0.000 2.133 106 R HA -0.215 4.142 4.340 0.028 0.000 0.247 106 R C 2.047 178.464 176.300 0.195 0.000 1.151 106 R CA 1.802 58.061 56.100 0.264 0.000 0.971 106 R CB -0.854 29.499 30.300 0.089 0.000 0.866 106 R HN 0.345 nan 8.270 nan 0.000 0.447 107 V N 0.910 120.914 119.914 0.149 0.000 2.407 107 V HA -0.263 3.873 4.120 0.028 0.000 0.248 107 V C 2.445 178.591 176.094 0.087 0.000 1.055 107 V CA 1.969 64.324 62.300 0.092 0.000 1.049 107 V CB -0.708 31.159 31.823 0.073 0.000 0.662 107 V HN 0.414 nan 8.190 nan 0.000 0.455 108 A N -0.344 122.539 122.820 0.104 0.000 1.832 108 A HA -0.195 4.141 4.320 0.028 0.000 0.214 108 A C 2.551 180.181 177.584 0.078 0.000 1.204 108 A CA 1.886 53.968 52.037 0.075 0.000 0.606 108 A CB -1.116 17.914 19.000 0.050 0.000 0.849 108 A HN 0.482 nan 8.150 nan 0.000 0.445 109 S N -0.044 115.738 115.700 0.137 0.000 2.409 109 S HA -0.242 4.244 4.470 0.028 0.000 0.237 109 S C 2.030 176.705 174.600 0.125 0.000 1.060 109 S CA 2.242 60.551 58.200 0.182 0.000 1.052 109 S CB -0.579 62.887 63.200 0.444 0.000 0.871 109 S HN 0.939 nan 8.310 nan 0.000 0.465 110 A N 1.520 124.408 122.820 0.113 0.000 1.832 110 A HA 0.105 4.442 4.320 0.028 0.000 0.214 110 A C 2.279 179.894 177.584 0.051 0.000 1.204 110 A CA 1.313 53.396 52.037 0.077 0.000 0.606 110 A CB -1.098 17.943 19.000 0.069 0.000 0.849 110 A HN 0.662 nan 8.150 nan 0.000 0.445 111 I N -0.431 120.163 120.570 0.039 0.000 2.399 111 I HA -0.274 3.913 4.170 0.028 0.000 0.254 111 I C 2.497 178.614 176.117 -0.000 0.000 1.146 111 I CA 1.225 62.536 61.300 0.019 0.000 1.412 111 I CB -0.181 37.827 38.000 0.013 0.000 1.076 111 I HN 0.376 nan 8.210 nan 0.000 0.432 112 A N 0.524 123.344 122.820 -0.000 0.000 1.835 112 A HA -0.289 4.047 4.320 0.028 0.000 0.215 112 A C 2.115 179.694 177.584 -0.008 0.000 1.199 112 A CA 1.970 53.993 52.037 -0.023 0.000 0.615 112 A CB -0.883 18.107 19.000 -0.017 0.000 0.838 112 A HN 0.499 nan 8.150 nan 0.000 0.444 113 E N -0.448 119.764 120.200 0.019 0.000 2.114 113 E HA -0.220 4.146 4.350 0.028 0.000 0.199 113 E C 2.169 178.782 176.600 0.022 0.000 1.008 113 E CA 1.508 57.923 56.400 0.025 0.000 0.810 113 E CB -0.325 29.400 29.700 0.041 0.000 0.739 113 E HN 0.608 nan 8.360 nan 0.000 0.456 114 A N 0.143 122.981 122.820 0.029 0.000 1.978 114 A HA -0.190 4.146 4.320 0.028 0.000 0.220 114 A C 2.335 179.945 177.584 0.043 0.000 1.170 114 A CA 1.778 53.841 52.037 0.043 0.000 0.636 114 A CB -0.582 18.453 19.000 0.059 0.000 0.810 114 A HN 0.239 nan 8.150 nan 0.000 0.448 115 V N -3.568 116.351 119.914 0.009 0.000 3.306 115 V HA 0.464 4.601 4.120 0.028 0.000 0.264 115 V C 1.206 177.294 176.094 -0.010 0.000 1.149 115 V CA 0.353 62.645 62.300 -0.013 0.000 1.143 115 V CB -1.254 30.494 31.823 -0.125 0.000 0.767 115 V HN 1.503 nan 8.190 nan 0.000 0.476 116 G N -0.031 108.766 108.800 -0.005 0.000 2.905 116 G HA2 0.085 4.062 3.960 0.028 0.000 0.210 116 G HA3 0.085 4.062 3.960 0.028 0.000 0.210 116 G C -0.774 174.122 174.900 -0.006 0.000 0.991 116 G CA -0.214 44.887 45.100 0.002 0.000 1.210 116 G HN 0.594 nan 8.290 nan 0.000 0.602 117 V N 1.023 120.937 119.914 0.000 0.000 3.160 117 V HA 0.663 4.800 4.120 0.028 0.000 0.310 117 V C 0.689 176.795 176.094 0.020 0.000 1.181 117 V CA -1.384 60.917 62.300 0.001 0.000 1.047 117 V CB 2.101 33.916 31.823 -0.013 0.000 1.068 117 V HN 0.687 nan 8.190 nan 0.000 0.441 118 R N 0.843 121.358 120.500 0.025 0.000 2.441 118 R HA 0.483 4.840 4.340 0.028 0.000 0.284 118 R C -0.251 176.091 176.300 0.071 0.000 1.070 118 R CA -0.171 55.956 56.100 0.044 0.000 1.047 118 R CB 1.468 31.793 30.300 0.042 0.000 1.016 118 R HN 0.729 nan 8.270 nan 0.000 0.477 119 V N 3.746 123.713 119.914 0.089 0.000 2.125 119 V HA 0.355 4.492 4.120 0.028 0.000 0.263 119 V C -2.157 174.045 176.094 0.180 0.000 1.365 119 V CA -1.736 60.643 62.300 0.131 0.000 1.276 119 V CB 0.138 32.029 31.823 0.113 0.000 1.350 119 V HN 0.654 nan 8.190 nan 0.000 0.487 120 P HA 0.174 nan 4.420 nan 0.000 0.271 120 P C 0.489 177.933 177.300 0.241 0.000 1.226 120 P CA -0.056 63.169 63.100 0.209 0.000 0.765 120 P CB 0.906 32.687 31.700 0.136 0.000 0.835 121 F N 0.985 120.963 119.950 0.046 0.000 2.220 121 F HA 0.180 4.723 4.527 0.027 0.000 0.290 121 F C 0.873 176.575 175.800 -0.162 0.000 1.080 121 F CA 0.046 58.022 58.000 -0.040 0.000 1.318 121 F CB -0.572 38.402 39.000 -0.043 0.000 1.063 121 F HN 0.226 nan 8.300 nan 0.000 0.498 122 T N -0.264 113.593 114.554 -1.161 0.000 2.823 122 T HA 0.619 4.985 4.350 0.028 0.000 0.279 122 T C 0.418 174.920 174.700 -0.330 0.000 0.998 122 T CA -0.130 61.612 62.100 -0.597 0.000 0.994 122 T CB 1.482 70.003 68.868 -0.579 0.000 0.960 122 T HN 0.416 nan 8.240 nan 0.000 0.448 123 G N 3.606 112.409 108.800 0.005 0.000 2.453 123 G HA2 0.287 4.264 3.960 0.028 0.000 0.184 123 G HA3 0.287 4.264 3.960 0.028 0.000 0.184 123 G C 0.151 175.072 174.900 0.035 0.000 1.342 123 G CA 0.039 45.137 45.100 -0.003 0.000 0.771 123 G HN 0.781 nan 8.290 nan 0.000 0.956 124 L N 0.193 121.482 121.223 0.110 0.000 2.341 124 L HA 0.931 5.287 4.340 0.028 0.000 0.267 124 L C -0.382 176.472 176.870 -0.027 0.000 1.022 124 L CA -0.730 54.108 54.840 -0.003 0.000 0.844 124 L CB 2.217 44.174 42.059 -0.170 0.000 1.436 124 L HN 0.010 nan 8.230 nan 0.000 0.483 125 S N -0.199 115.452 115.700 -0.081 0.000 2.478 125 S HA 0.343 4.830 4.470 0.028 0.000 0.312 125 S C 0.958 175.467 174.600 -0.151 0.000 1.094 125 S CA -0.461 57.692 58.200 -0.079 0.000 1.081 125 S CB 1.452 64.627 63.200 -0.042 0.000 1.007 125 S HN 0.616 nan 8.310 nan 0.000 0.475 126 V N 4.958 124.768 119.914 -0.174 0.000 2.353 126 V HA -0.274 3.863 4.120 0.028 0.000 0.260 126 V C 2.696 178.727 176.094 -0.104 0.000 1.091 126 V CA 2.624 64.804 62.300 -0.199 0.000 1.088 126 V CB -1.802 29.963 31.823 -0.096 0.000 0.672 126 V HN 0.977 nan 8.190 nan 0.000 0.455 127 G N -1.129 107.633 108.800 -0.063 0.000 2.408 127 G HA2 -0.205 3.771 3.960 0.028 0.000 0.217 127 G HA3 -0.205 3.771 3.960 0.028 0.000 0.217 127 G C 1.430 176.353 174.900 0.040 0.000 1.150 127 G CA 0.814 45.916 45.100 0.004 0.000 0.776 127 G HN 0.583 nan 8.290 nan 0.000 0.542 128 E N -0.415 119.768 120.200 -0.028 0.000 2.058 128 E HA -0.125 4.242 4.350 0.028 0.000 0.194 128 E C 2.550 179.119 176.600 -0.052 0.000 0.997 128 E CA 1.253 57.631 56.400 -0.037 0.000 0.801 128 E CB -0.242 29.426 29.700 -0.053 0.000 0.746 128 E HN 0.262 nan 8.360 nan 0.000 0.450 129 V N 0.296 120.146 119.914 -0.107 0.000 2.871 129 V HA -0.190 3.946 4.120 0.028 0.000 0.256 129 V C 1.842 177.902 176.094 -0.056 0.000 1.082 129 V CA 1.340 63.571 62.300 -0.116 0.000 1.105 129 V CB -0.351 31.328 31.823 -0.240 0.000 0.713 129 V HN 0.339 nan 8.190 nan 0.000 0.473 130 Y N 1.354 121.577 120.300 -0.129 0.000 2.163 130 Y HA -0.173 4.394 4.550 0.027 0.000 0.288 130 Y C 2.351 178.201 175.900 -0.083 0.000 1.136 130 Y CA 2.310 60.351 58.100 -0.098 0.000 1.147 130 Y CB -0.204 38.201 38.460 -0.092 0.000 0.987 130 Y HN 0.401 nan 8.280 nan 0.000 0.509 131 E N 0.116 120.280 120.200 -0.060 0.000 2.033 131 E HA -0.300 4.067 4.350 0.028 0.000 0.199 131 E C 2.322 178.814 176.600 -0.181 0.000 1.011 131 E CA 1.743 58.065 56.400 -0.130 0.000 0.815 131 E CB -0.274 29.412 29.700 -0.024 0.000 0.755 131 E HN 0.461 nan 8.360 nan 0.000 0.451 132 R N 0.306 120.733 120.500 -0.123 0.000 2.117 132 R HA -0.209 4.147 4.340 0.028 0.000 0.243 132 R C 2.511 178.723 176.300 -0.147 0.000 1.143 132 R CA 1.102 57.136 56.100 -0.109 0.000 0.968 132 R CB -0.513 29.743 30.300 -0.074 0.000 0.863 132 R HN 0.148 nan 8.270 nan 0.000 0.444 133 L N 0.760 121.866 121.223 -0.195 0.000 1.956 133 L HA -0.196 4.161 4.340 0.028 0.000 0.216 133 L C 1.966 178.680 176.870 -0.260 0.000 1.073 133 L CA 1.828 56.533 54.840 -0.226 0.000 0.762 133 L CB -0.548 41.345 42.059 -0.277 0.000 0.889 133 L HN -0.071 nan 8.230 nan 0.000 0.433 134 V N -0.478 119.224 119.914 -0.353 0.000 3.241 134 V HA -0.181 3.956 4.120 0.028 0.000 0.269 134 V C 2.349 178.325 176.094 -0.197 0.000 1.151 134 V CA 1.356 63.475 62.300 -0.302 0.000 1.158 134 V CB -1.054 30.550 31.823 -0.364 0.000 0.764 134 V HN 0.448 nan 8.190 nan 0.000 0.508 135 K N 0.123 120.421 120.400 -0.169 0.000 2.108 135 K HA 0.046 4.383 4.320 0.028 0.000 0.204 135 K C 2.346 178.885 176.600 -0.102 0.000 1.036 135 K CA 0.399 56.616 56.287 -0.116 0.000 0.965 135 K CB -0.073 32.371 32.500 -0.093 0.000 0.804 135 K HN 0.093 nan 8.250 nan 0.000 0.454 136 R N 1.304 121.742 120.500 -0.103 0.000 2.152 136 R HA -0.074 4.282 4.340 0.028 0.000 0.232 136 R C 2.053 178.278 176.300 -0.125 0.000 1.117 136 R CA 0.671 56.716 56.100 -0.091 0.000 0.981 136 R CB -0.391 29.862 30.300 -0.079 0.000 0.870 136 R HN 0.078 nan 8.270 nan 0.000 0.451 137 L N -0.786 120.334 121.223 -0.172 0.000 1.961 137 L HA -0.005 4.352 4.340 0.028 0.000 0.209 137 L C 1.094 177.858 176.870 -0.176 0.000 1.075 137 L CA 1.824 56.521 54.840 -0.239 0.000 0.749 137 L CB -0.729 41.171 42.059 -0.264 0.000 0.890 137 L HN -0.018 nan 8.230 nan 0.000 0.433 138 S N -0.578 115.040 115.700 -0.137 0.000 3.811 138 S HA 0.160 4.647 4.470 0.028 0.000 0.205 138 S C 1.251 175.812 174.600 -0.065 0.000 1.445 138 S CA -0.013 58.134 58.200 -0.088 0.000 1.097 138 S CB -0.714 62.440 63.200 -0.078 0.000 1.350 138 S HN 0.374 nan 8.310 nan 0.000 0.471 139 R N 0.696 121.160 120.500 -0.059 0.000 2.573 139 R HA 0.413 4.770 4.340 0.028 0.000 0.224 139 R C -0.379 175.910 176.300 -0.019 0.000 0.904 139 R CA 0.050 56.129 56.100 -0.035 0.000 0.995 139 R CB 0.391 30.670 30.300 -0.036 0.000 1.430 139 R HN 0.367 nan 8.270 nan 0.000 0.631 140 L N 0.642 121.852 121.223 -0.021 0.000 2.303 140 L HA 0.525 4.882 4.340 0.028 0.000 0.266 140 L C -0.590 176.320 176.870 0.066 0.000 1.011 140 L CA -0.905 53.946 54.840 0.020 0.000 0.818 140 L CB 1.885 43.963 42.059 0.032 0.000 1.326 140 L HN -0.089 nan 8.230 nan 0.000 0.435 141 R N 1.310 121.882 120.500 0.120 0.000 2.358 141 R HA 0.728 5.085 4.340 0.028 0.000 0.309 141 R C -0.980 175.411 176.300 0.153 0.000 1.026 141 R CA -0.039 56.128 56.100 0.113 0.000 0.909 141 R CB 1.103 31.438 30.300 0.058 0.000 1.153 141 R HN 0.815 nan 8.270 nan 0.000 0.515 142 G N 2.963 111.901 108.800 0.230 0.000 2.341 142 G HA2 0.305 4.281 3.960 0.028 0.000 0.299 142 G HA3 0.305 4.281 3.960 0.028 0.000 0.299 142 G C -1.656 173.335 174.900 0.152 0.000 1.274 142 G CA -0.706 44.458 45.100 0.106 0.000 0.853 142 G HN 0.413 nan 8.290 nan 0.000 0.493 143 I N -1.327 119.210 120.570 -0.055 0.000 2.433 143 I HA 0.757 4.944 4.170 0.028 0.000 0.292 143 I C -1.429 174.608 176.117 -0.132 0.000 1.001 143 I CA -1.168 60.149 61.300 0.030 0.000 1.119 143 I CB 1.766 39.772 38.000 0.009 0.000 1.289 143 I HN 0.408 nan 8.210 nan 0.000 0.438 144 Y N 5.290 125.590 120.300 0.001 0.000 2.425 144 Y HA 0.663 5.229 4.550 0.027 0.000 0.344 144 Y C -0.320 175.584 175.900 0.007 0.000 0.969 144 Y CA -1.010 57.092 58.100 0.003 0.000 1.052 144 Y CB 2.127 40.586 38.460 -0.002 0.000 1.215 144 Y HN 0.372 nan 8.280 nan 0.000 0.451 145 I N 5.300 125.948 120.570 0.130 0.000 2.362 145 I HA 0.340 4.527 4.170 0.028 0.000 0.289 145 I C -0.443 175.728 176.117 0.091 0.000 0.994 145 I CA -0.622 60.732 61.300 0.089 0.000 1.158 145 I CB 1.116 39.149 38.000 0.055 0.000 1.315 145 I HN 0.492 nan 8.210 nan 0.000 0.451 146 I N 6.347 126.959 120.570 0.071 0.000 2.396 146 I HA 0.320 4.506 4.170 0.028 0.000 0.292 146 I C 0.038 176.164 176.117 0.015 0.000 0.999 146 I CA -0.677 60.648 61.300 0.041 0.000 1.310 146 I CB 1.726 39.743 38.000 0.029 0.000 1.404 146 I HN 0.167 nan 8.210 nan 0.000 0.496 147 V N 7.363 127.262 119.914 -0.025 0.000 2.326 147 V HA 0.263 4.400 4.120 0.028 0.000 0.281 147 V C -0.089 175.877 176.094 -0.214 0.000 1.015 147 V CA -0.511 61.742 62.300 -0.078 0.000 0.823 147 V CB 1.382 33.190 31.823 -0.025 0.000 1.009 147 V HN 0.453 nan 8.190 nan 0.000 0.436 148 L N 3.174 124.313 121.223 -0.140 0.000 2.407 148 L HA 0.504 4.861 4.340 0.028 0.000 0.261 148 L C 0.212 176.986 176.870 -0.161 0.000 1.108 148 L CA -0.162 54.586 54.840 -0.154 0.000 0.995 148 L CB 0.030 42.058 42.059 -0.051 0.000 1.349 148 L HN 0.342 nan 8.230 nan 0.000 0.423 149 D N 3.207 123.439 120.400 -0.281 0.000 2.401 149 D HA 0.060 4.716 4.640 0.028 0.000 0.254 149 D C 0.352 176.563 176.300 -0.148 0.000 1.192 149 D CA 0.490 54.380 54.000 -0.183 0.000 0.885 149 D CB 0.458 41.158 40.800 -0.166 0.000 1.147 149 D HN 0.604 nan 8.370 nan 0.000 0.478 150 E N 1.837 121.971 120.200 -0.109 0.000 2.309 150 E HA -0.160 4.207 4.350 0.028 0.000 0.250 150 E C 1.210 177.764 176.600 -0.077 0.000 1.120 150 E CA 0.198 56.528 56.400 -0.118 0.000 0.730 150 E CB -1.145 28.406 29.700 -0.249 0.000 1.271 150 E HN 0.601 nan 8.360 nan 0.000 0.396 151 I N -2.236 118.282 120.570 -0.087 0.000 3.111 151 I HA -0.118 4.069 4.170 0.028 0.000 0.272 151 I C 1.500 177.540 176.117 -0.127 0.000 1.268 151 I CA 0.775 62.053 61.300 -0.037 0.000 1.467 151 I CB -0.332 37.700 38.000 0.053 0.000 1.087 151 I HN 0.054 nan 8.210 nan 0.000 0.467 152 D N 2.409 122.540 120.400 -0.449 0.000 2.149 152 D HA -0.268 4.388 4.640 0.028 0.000 0.194 152 D C 1.938 178.160 176.300 -0.130 0.000 1.001 152 D CA 1.528 55.123 54.000 -0.675 0.000 0.849 152 D CB -0.828 39.639 40.800 -0.555 0.000 0.939 152 D HN 0.398 nan 8.370 nan 0.000 0.449 153 F N 0.810 120.663 119.950 -0.163 0.000 2.069 153 F HA -0.138 4.405 4.527 0.027 0.000 0.298 153 F C 2.425 178.217 175.800 -0.013 0.000 1.113 153 F CA 0.234 58.196 58.000 -0.063 0.000 1.214 153 F CB -1.176 37.793 39.000 -0.052 0.000 0.978 153 F HN -0.087 nan 8.300 nan 0.000 0.474 154 L N 1.250 122.594 121.223 0.202 0.000 2.054 154 L HA -0.263 4.094 4.340 0.028 0.000 0.240 154 L C -0.400 176.550 176.870 0.133 0.000 1.107 154 L CA 2.777 57.704 54.840 0.146 0.000 0.833 154 L CB -2.120 40.023 42.059 0.141 0.000 0.929 154 L HN 0.030 nan 8.230 nan 0.000 0.447 155 P HA -0.161 nan 4.420 nan 0.000 0.225 155 P C 1.166 178.526 177.300 0.099 0.000 1.148 155 P CA 1.180 64.380 63.100 0.166 0.000 0.779 155 P CB -0.212 31.669 31.700 0.302 0.000 0.780 156 K N -0.397 120.037 120.400 0.056 0.000 2.173 156 K HA -0.134 4.202 4.320 0.028 0.000 0.207 156 K C 1.259 177.862 176.600 0.006 0.000 1.046 156 K CA 1.241 57.520 56.287 -0.013 0.000 0.929 156 K CB -0.241 32.194 32.500 -0.107 0.000 0.720 156 K HN 0.177 nan 8.250 nan 0.000 0.453 157 R N -0.743 119.777 120.500 0.033 0.000 2.836 157 R HA 0.291 4.647 4.340 0.028 0.000 0.269 157 R C -2.694 173.631 176.300 0.040 0.000 1.010 157 R CA -2.172 53.947 56.100 0.032 0.000 0.930 157 R CB 1.622 31.944 30.300 0.037 0.000 1.218 157 R HN -0.191 nan 8.270 nan 0.000 0.473 158 P HA 0.057 nan 4.420 nan 0.000 0.270 158 P C 0.180 177.499 177.300 0.032 0.000 1.223 158 P CA 0.737 63.853 63.100 0.026 0.000 0.785 158 P CB 0.547 32.258 31.700 0.020 0.000 0.923 159 G N 1.366 110.180 108.800 0.023 0.000 2.262 159 G HA2 -0.375 3.602 3.960 0.028 0.000 0.269 159 G HA3 -0.375 3.602 3.960 0.028 0.000 0.269 159 G C 1.298 176.218 174.900 0.033 0.000 0.984 159 G CA 1.062 46.173 45.100 0.018 0.000 0.649 159 G HN 0.787 nan 8.290 nan 0.000 0.548 160 G N -0.194 108.636 108.800 0.050 0.000 2.587 160 G HA2 -0.240 3.737 3.960 0.028 0.000 0.217 160 G HA3 -0.240 3.737 3.960 0.028 0.000 0.217 160 G C 1.466 176.414 174.900 0.081 0.000 1.240 160 G CA 1.637 46.781 45.100 0.073 0.000 0.794 160 G HN 0.598 nan 8.290 nan 0.000 0.580 161 Q N 0.062 119.906 119.800 0.073 0.000 2.197 161 Q HA -0.137 4.219 4.340 0.028 0.000 0.207 161 Q C 2.256 178.302 176.000 0.076 0.000 0.984 161 Q CA 1.819 57.664 55.803 0.069 0.000 0.869 161 Q CB -0.050 28.709 28.738 0.035 0.000 0.906 161 Q HN 0.556 nan 8.270 nan 0.000 0.426 162 D N -0.213 120.222 120.400 0.058 0.000 2.123 162 D HA -0.141 4.516 4.640 0.028 0.000 0.200 162 D C 1.576 177.896 176.300 0.033 0.000 0.976 162 D CA 0.542 54.581 54.000 0.064 0.000 0.831 162 D CB -0.204 40.607 40.800 0.018 0.000 0.974 162 D HN 0.118 nan 8.370 nan 0.000 0.469 163 L N 0.637 121.858 121.223 -0.003 0.000 1.988 163 L HA -0.070 4.286 4.340 0.028 0.000 0.207 163 L C 2.002 178.872 176.870 -0.001 0.000 1.071 163 L CA 1.419 56.230 54.840 -0.049 0.000 0.744 163 L CB -0.803 41.251 42.059 -0.007 0.000 0.893 163 L HN 0.088 nan 8.230 nan 0.000 0.433 164 L N -1.126 120.135 121.223 0.064 0.000 2.113 164 L HA -0.417 3.940 4.340 0.028 0.000 0.237 164 L C 2.589 179.528 176.870 0.114 0.000 1.113 164 L CA 2.587 57.489 54.840 0.103 0.000 0.837 164 L CB -0.974 41.168 42.059 0.138 0.000 0.929 164 L HN 0.534 nan 8.230 nan 0.000 0.449 165 Y N 0.607 120.901 120.300 -0.010 0.000 2.049 165 Y HA -0.308 4.258 4.550 0.027 0.000 0.277 165 Y C 2.734 178.619 175.900 -0.026 0.000 1.143 165 Y CA 1.964 60.052 58.100 -0.021 0.000 1.115 165 Y CB -0.861 37.577 38.460 -0.037 0.000 0.975 165 Y HN 0.060 nan 8.280 nan 0.000 0.487 166 R N 0.174 120.412 120.500 -0.436 0.000 2.162 166 R HA -0.272 4.084 4.340 0.028 0.000 0.245 166 R C 2.345 178.531 176.300 -0.190 0.000 1.129 166 R CA 2.911 58.707 56.100 -0.506 0.000 0.940 166 R CB -0.890 29.024 30.300 -0.643 0.000 0.875 166 R HN 0.496 nan 8.270 nan 0.000 0.437 167 I N -0.272 120.277 120.570 -0.035 0.000 2.264 167 I HA -0.290 3.897 4.170 0.028 0.000 0.248 167 I C 2.685 178.820 176.117 0.029 0.000 1.111 167 I CA 1.772 63.111 61.300 0.064 0.000 1.382 167 I CB -0.691 37.354 38.000 0.076 0.000 1.060 167 I HN 0.383 nan 8.210 nan 0.000 0.418 168 T N 0.230 114.795 114.554 0.018 0.000 2.962 168 T HA -0.177 4.190 4.350 0.028 0.000 0.270 168 T C 2.000 176.704 174.700 0.007 0.000 1.088 168 T CA 1.009 63.133 62.100 0.039 0.000 1.127 168 T CB -0.214 68.712 68.868 0.095 0.000 0.883 168 T HN 0.337 nan 8.240 nan 0.000 0.493 169 R N -0.318 120.129 120.500 -0.088 0.000 2.223 169 R HA 0.088 4.445 4.340 0.028 0.000 0.198 169 R C 1.878 178.153 176.300 -0.042 0.000 0.984 169 R CA 0.190 56.227 56.100 -0.106 0.000 1.018 169 R CB -0.200 29.905 30.300 -0.325 0.000 0.945 169 R HN 0.322 nan 8.270 nan 0.000 0.479 170 I N 2.640 123.206 120.570 -0.006 0.000 2.182 170 I HA -0.361 3.825 4.170 0.028 0.000 0.248 170 I C 1.965 178.079 176.117 -0.005 0.000 1.073 170 I CA 1.489 62.801 61.300 0.020 0.000 1.335 170 I CB -1.546 36.469 38.000 0.025 0.000 1.031 170 I HN 0.262 nan 8.210 nan 0.000 0.420 171 N N 0.377 119.079 118.700 0.003 0.000 2.334 171 N HA -0.226 4.531 4.740 0.028 0.000 0.187 171 N C 1.715 177.227 175.510 0.003 0.000 1.016 171 N CA 1.230 54.284 53.050 0.007 0.000 0.879 171 N CB -0.087 38.411 38.487 0.019 0.000 0.965 171 N HN 0.529 nan 8.380 nan 0.000 0.438 172 Q N -0.383 119.417 119.800 0.000 0.000 2.246 172 Q HA 0.109 4.465 4.340 0.028 0.000 0.222 172 Q C -0.317 175.680 176.000 -0.004 0.000 0.851 172 Q CA -0.138 55.665 55.803 0.001 0.000 0.945 172 Q CB 0.409 29.151 28.738 0.008 0.000 1.122 172 Q HN 0.383 nan 8.270 nan 0.000 0.508 173 E N 1.405 121.599 120.200 -0.010 0.000 3.435 173 E HA -0.042 4.325 4.350 0.028 0.000 0.255 173 E C -0.471 176.114 176.600 -0.025 0.000 1.445 173 E CA 0.285 56.674 56.400 -0.018 0.000 1.460 173 E CB -0.396 29.286 29.700 -0.030 0.000 1.283 173 E HN 0.117 nan 8.360 nan 0.000 0.423 181 S N 4.131 119.869 115.700 0.063 0.000 2.568 181 S HA 0.894 5.381 4.470 0.028 0.000 0.293 181 S C -1.619 173.011 174.600 0.050 0.000 1.089 181 S CA -0.555 57.676 58.200 0.051 0.000 0.945 181 S CB 1.613 64.842 63.200 0.048 0.000 1.077 181 S HN 0.666 nan 8.310 nan 0.000 0.485 182 L N 3.178 124.428 121.223 0.045 0.000 2.365 182 L HA 0.673 5.030 4.340 0.028 0.000 0.273 182 L C -1.178 175.716 176.870 0.041 0.000 1.000 182 L CA -0.958 53.908 54.840 0.043 0.000 0.819 182 L CB 2.228 44.316 42.059 0.048 0.000 1.284 182 L HN 0.447 nan 8.230 nan 0.000 0.418 183 V N 2.190 122.125 119.914 0.035 0.000 2.325 183 V HA 0.417 4.554 4.120 0.028 0.000 0.280 183 V C 0.533 176.643 176.094 0.026 0.000 1.016 183 V CA -0.525 61.796 62.300 0.035 0.000 0.818 183 V CB 1.386 33.233 31.823 0.039 0.000 1.019 183 V HN 0.863 nan 8.190 nan 0.000 0.434 184 G N 5.246 114.074 108.800 0.047 0.000 2.353 184 G HA2 0.678 4.655 3.960 0.028 0.000 0.284 184 G HA3 0.678 4.655 3.960 0.028 0.000 0.284 184 G C -0.691 174.238 174.900 0.048 0.000 1.172 184 G CA -0.266 44.870 45.100 0.060 0.000 0.854 184 G HN 0.597 nan 8.290 nan 0.000 0.485 185 I N 1.057 121.636 120.570 0.015 0.000 2.545 185 I HA 0.571 4.758 4.170 0.028 0.000 0.292 185 I C 0.324 176.430 176.117 -0.019 0.000 1.040 185 I CA -0.515 60.785 61.300 -0.001 0.000 1.068 185 I CB 2.682 40.662 38.000 -0.034 0.000 1.251 185 I HN 0.602 nan 8.210 nan 0.000 0.424 186 T N 2.535 117.093 114.554 0.007 0.000 2.598 186 T HA 0.418 4.784 4.350 0.028 0.000 0.289 186 T C -1.108 173.610 174.700 0.030 0.000 1.056 186 T CA -0.474 61.612 62.100 -0.025 0.000 1.088 186 T CB 1.417 70.194 68.868 -0.153 0.000 1.519 186 T HN 0.570 nan 8.240 nan 0.000 0.488 187 N N 1.457 120.176 118.700 0.032 0.000 2.588 187 N HA 0.314 5.070 4.740 0.028 0.000 0.298 187 N C -1.585 173.943 175.510 0.031 0.000 1.718 187 N CA -0.188 52.885 53.050 0.039 0.000 0.888 187 N CB 0.980 39.485 38.487 0.030 0.000 1.389 187 N HN 0.656 nan 8.380 nan 0.000 0.491 188 S N -0.846 114.889 115.700 0.059 0.000 2.511 188 S HA 0.163 4.649 4.470 0.028 0.000 0.283 188 S C 0.550 175.167 174.600 0.028 0.000 1.078 188 S CA -0.666 57.550 58.200 0.027 0.000 0.994 188 S CB 0.541 63.749 63.200 0.013 0.000 1.171 188 S HN 0.111 nan 8.310 nan 0.000 0.444 189 L N 2.961 124.122 121.223 -0.103 0.000 2.211 189 L HA -0.040 4.317 4.340 0.028 0.000 0.216 189 L C 2.110 178.911 176.870 -0.114 0.000 1.092 189 L CA 2.011 56.671 54.840 -0.299 0.000 0.767 189 L CB -0.398 41.469 42.059 -0.320 0.000 0.894 189 L HN 1.037 nan 8.230 nan 0.000 0.437 190 G N -1.673 107.112 108.800 -0.025 0.000 3.318 190 G HA2 -0.228 3.748 3.960 0.028 0.000 0.212 190 G HA3 -0.228 3.748 3.960 0.028 0.000 0.212 190 G C 0.550 175.544 174.900 0.157 0.000 1.227 190 G CA 0.297 45.414 45.100 0.029 0.000 1.438 190 G HN 0.476 nan 8.290 nan 0.000 0.525 191 F N -1.171 118.746 119.950 -0.055 0.000 2.839 191 F HA 0.191 4.735 4.527 0.028 0.000 0.355 191 F C 1.725 177.533 175.800 0.014 0.000 0.904 191 F CA -0.306 57.693 58.000 -0.002 0.000 1.098 191 F CB 0.094 39.125 39.000 0.052 0.000 0.982 191 F HN -0.029 nan 8.300 nan 0.000 0.600 192 V N 0.705 120.591 119.914 -0.046 0.000 3.207 192 V HA -0.241 3.896 4.120 0.028 0.000 0.273 192 V C 1.474 177.484 176.094 -0.141 0.000 1.182 192 V CA 2.614 64.855 62.300 -0.099 0.000 1.186 192 V CB -0.358 31.410 31.823 -0.091 0.000 0.801 192 V HN 0.484 nan 8.190 nan 0.000 0.548 193 E N -1.135 118.976 120.200 -0.149 0.000 2.357 193 E HA 0.081 4.448 4.350 0.028 0.000 0.202 193 E C 1.351 177.875 176.600 -0.126 0.000 0.855 193 E CA 0.033 56.367 56.400 -0.111 0.000 1.048 193 E CB -0.049 29.613 29.700 -0.063 0.000 1.037 193 E HN 0.361 nan 8.360 nan 0.000 0.499 194 N N 1.658 120.285 118.700 -0.121 0.000 2.471 194 N HA 0.011 4.767 4.740 0.028 0.000 0.205 194 N C -0.681 174.663 175.510 -0.278 0.000 1.251 194 N CA 0.176 53.160 53.050 -0.109 0.000 0.843 194 N CB -0.028 38.479 38.487 0.034 0.000 1.044 194 N HN 0.103 nan 8.380 nan 0.000 0.461 195 L N 1.224 122.200 121.223 -0.412 0.000 2.278 195 L HA 0.285 4.641 4.340 0.028 0.000 0.287 195 L C 0.577 177.338 176.870 -0.181 0.000 1.072 195 L CA -0.677 53.963 54.840 -0.333 0.000 0.819 195 L CB 0.665 42.502 42.059 -0.369 0.000 1.176 195 L HN -0.116 nan 8.230 nan 0.000 0.435 196 E N 5.336 125.454 120.200 -0.136 0.000 2.868 196 E HA -0.091 4.275 4.350 0.028 0.000 0.246 196 E C -1.403 175.127 176.600 -0.117 0.000 0.962 196 E CA -0.752 55.578 56.400 -0.117 0.000 0.955 196 E CB 0.436 30.063 29.700 -0.122 0.000 0.903 196 E HN 0.467 nan 8.360 nan 0.000 0.524 197 P HA -0.254 nan 4.420 nan 0.000 0.217 197 P C 1.021 178.277 177.300 -0.073 0.000 1.151 197 P CA 1.552 64.605 63.100 -0.079 0.000 0.849 197 P CB 0.067 31.728 31.700 -0.064 0.000 0.787 198 R N 0.070 120.514 120.500 -0.094 0.000 2.132 198 R HA -0.125 4.232 4.340 0.028 0.000 0.233 198 R C 2.379 178.639 176.300 -0.068 0.000 1.125 198 R CA 1.838 57.876 56.100 -0.103 0.000 0.914 198 R CB -2.188 27.994 30.300 -0.196 0.000 0.845 198 R HN 0.041 nan 8.270 nan 0.000 0.431 199 V N 1.861 121.724 119.914 -0.085 0.000 2.250 199 V HA -0.322 3.815 4.120 0.028 0.000 0.253 199 V C 2.419 178.499 176.094 -0.024 0.000 1.065 199 V CA 2.284 64.573 62.300 -0.019 0.000 1.039 199 V CB -0.683 31.118 31.823 -0.037 0.000 0.647 199 V HN 0.370 nan 8.190 nan 0.000 0.446 200 K N 0.728 121.083 120.400 -0.075 0.000 2.173 200 K HA -0.196 4.141 4.320 0.028 0.000 0.207 200 K C 2.092 178.684 176.600 -0.015 0.000 1.046 200 K CA 1.898 58.142 56.287 -0.071 0.000 0.929 200 K CB -0.338 32.109 32.500 -0.087 0.000 0.720 200 K HN 0.691 nan 8.250 nan 0.000 0.453 201 S N -0.666 115.029 115.700 -0.008 0.000 2.558 201 S HA -0.016 4.471 4.470 0.028 0.000 0.217 201 S C 1.640 176.254 174.600 0.024 0.000 0.975 201 S CA 0.689 58.893 58.200 0.006 0.000 0.912 201 S CB 0.495 63.693 63.200 -0.002 0.000 0.776 201 S HN 0.292 nan 8.310 nan 0.000 0.526 202 S N 0.153 115.875 115.700 0.037 0.000 2.653 202 S HA 0.277 4.763 4.470 0.028 0.000 0.259 202 S C 1.319 175.952 174.600 0.055 0.000 1.076 202 S CA -0.359 57.870 58.200 0.048 0.000 1.051 202 S CB -0.340 62.898 63.200 0.062 0.000 0.994 202 S HN 0.254 nan 8.310 nan 0.000 0.552 203 L N 2.315 123.575 121.223 0.062 0.000 2.551 203 L HA 0.203 4.559 4.340 0.028 0.000 0.230 203 L C 0.948 177.861 176.870 0.072 0.000 1.163 203 L CA 1.824 56.712 54.840 0.081 0.000 0.826 203 L CB -0.997 41.124 42.059 0.103 0.000 0.943 203 L HN 0.703 nan 8.230 nan 0.000 0.452 204 G N -0.950 107.880 108.800 0.050 0.000 2.965 204 G HA2 0.275 4.251 3.960 0.028 0.000 0.301 204 G HA3 0.275 4.251 3.960 0.028 0.000 0.301 204 G C 0.432 175.344 174.900 0.019 0.000 1.878 204 G CA -0.425 44.692 45.100 0.029 0.000 0.828 204 G HN 0.209 nan 8.290 nan 0.000 0.435 205 E N 0.128 120.340 120.200 0.019 0.000 2.152 205 E HA 0.001 4.368 4.350 0.028 0.000 0.192 205 E C 0.700 177.303 176.600 0.004 0.000 0.983 205 E CA 0.730 57.139 56.400 0.015 0.000 0.818 205 E CB 0.496 30.207 29.700 0.018 0.000 0.758 205 E HN 0.319 nan 8.360 nan 0.000 0.467 206 V N 3.107 123.019 119.914 -0.003 0.000 2.347 206 V HA 0.024 4.161 4.120 0.028 0.000 0.280 206 V C 0.060 176.124 176.094 -0.050 0.000 1.021 206 V CA -0.730 61.559 62.300 -0.018 0.000 0.847 206 V CB 1.241 33.055 31.823 -0.014 0.000 0.990 206 V HN 0.182 nan 8.190 nan 0.000 0.444 207 E N 6.593 126.754 120.200 -0.065 0.000 1.795 207 E HA 0.102 4.469 4.350 0.028 0.000 0.261 207 E C -0.950 175.554 176.600 -0.160 0.000 1.238 207 E CA -0.143 56.171 56.400 -0.143 0.000 1.001 207 E CB 0.399 30.060 29.700 -0.066 0.000 1.065 207 E HN 0.578 nan 8.360 nan 0.000 0.418 208 L N 4.779 125.901 121.223 -0.169 0.000 2.259 208 L HA 0.331 4.687 4.340 0.028 0.000 0.288 208 L C -0.532 176.289 176.870 -0.082 0.000 1.051 208 L CA -0.736 54.040 54.840 -0.107 0.000 0.824 208 L CB 1.432 43.486 42.059 -0.009 0.000 1.206 208 L HN 0.416 nan 8.230 nan 0.000 0.429 209 V N 4.375 124.218 119.914 -0.117 0.000 2.540 209 V HA 0.397 4.534 4.120 0.028 0.000 0.302 209 V C -0.672 175.391 176.094 -0.052 0.000 1.035 209 V CA -0.386 61.927 62.300 0.023 0.000 0.873 209 V CB 2.232 34.111 31.823 0.093 0.000 0.992 209 V HN 0.359 nan 8.190 nan 0.000 0.428 210 F N 7.307 127.258 119.950 0.003 0.000 2.291 210 F HA 0.435 4.978 4.527 0.026 0.000 0.368 210 F C -1.807 173.955 175.800 -0.064 0.000 1.085 210 F CA -2.605 55.372 58.000 -0.039 0.000 1.165 210 F CB 1.064 40.039 39.000 -0.043 0.000 1.429 210 F HN 0.317 nan 8.300 nan 0.000 0.503 211 P HA 0.170 nan 4.420 nan 0.000 0.276 211 P C -2.447 174.789 177.300 -0.107 0.000 1.235 211 P CA -1.071 62.017 63.100 -0.020 0.000 0.772 211 P CB 0.827 32.512 31.700 -0.026 0.000 0.871 212 P HA 0.155 nan 4.420 nan 0.000 0.302 212 P C -0.897 176.303 177.300 -0.167 0.000 1.301 212 P CA -0.056 62.927 63.100 -0.195 0.000 0.745 212 P CB 0.364 32.060 31.700 -0.005 0.000 1.331 213 Y N -0.854 119.490 120.300 0.073 0.000 2.356 213 Y HA 0.233 4.799 4.550 0.027 0.000 0.334 213 Y C 1.213 177.114 175.900 0.002 0.000 0.958 213 Y CA -0.540 57.574 58.100 0.023 0.000 1.196 213 Y CB 0.200 38.675 38.460 0.025 0.000 1.137 213 Y HN 0.276 nan 8.280 nan 0.000 0.485 214 T N -0.664 113.968 114.554 0.131 0.000 2.856 214 T HA 0.166 4.532 4.350 0.028 0.000 0.329 214 T C 1.406 176.129 174.700 0.037 0.000 1.094 214 T CA 0.104 62.242 62.100 0.063 0.000 1.112 214 T CB 0.997 69.882 68.868 0.028 0.000 1.009 214 T HN 0.751 nan 8.240 nan 0.000 0.550 215 A N 3.424 126.255 122.820 0.019 0.000 1.858 215 A HA 0.071 4.408 4.320 0.028 0.000 0.216 215 A C 0.242 177.804 177.584 -0.036 0.000 1.190 215 A CA 1.206 53.241 52.037 -0.004 0.000 0.617 215 A CB -1.829 17.172 19.000 0.001 0.000 0.827 215 A HN 0.854 nan 8.150 nan 0.000 0.443 216 P HA -0.134 nan 4.420 nan 0.000 0.231 216 P C 0.982 178.219 177.300 -0.106 0.000 1.158 216 P CA 1.040 64.115 63.100 -0.042 0.000 0.763 216 P CB -0.065 31.627 31.700 -0.014 0.000 0.805 217 Q N -0.435 119.251 119.800 -0.190 0.000 2.061 217 Q HA 0.016 4.373 4.340 0.028 0.000 0.195 217 Q C 2.430 178.237 176.000 -0.321 0.000 0.967 217 Q CA 0.862 56.390 55.803 -0.458 0.000 0.829 217 Q CB -0.542 27.973 28.738 -0.372 0.000 0.900 217 Q HN 0.244 nan 8.270 nan 0.000 0.450 218 L N 0.617 121.700 121.223 -0.232 0.000 1.990 218 L HA -0.265 4.092 4.340 0.028 0.000 0.213 218 L C 2.663 179.458 176.870 -0.125 0.000 1.072 218 L CA 1.294 56.004 54.840 -0.216 0.000 0.755 218 L CB -0.566 41.413 42.059 -0.133 0.000 0.889 218 L HN 0.257 nan 8.230 nan 0.000 0.432 219 R N 0.161 120.611 120.500 -0.084 0.000 2.234 219 R HA -0.297 4.059 4.340 0.028 0.000 0.241 219 R C 2.004 178.290 176.300 -0.023 0.000 1.115 219 R CA 2.644 58.716 56.100 -0.047 0.000 0.913 219 R CB -0.567 29.714 30.300 -0.032 0.000 0.911 219 R HN 0.372 nan 8.270 nan 0.000 0.430 220 D N -0.239 120.165 120.400 0.007 0.000 2.144 220 D HA -0.107 4.550 4.640 0.028 0.000 0.199 220 D C 1.959 178.304 176.300 0.076 0.000 0.984 220 D CA 1.049 55.106 54.000 0.095 0.000 0.834 220 D CB -0.166 40.826 40.800 0.320 0.000 0.955 220 D HN 0.279 nan 8.370 nan 0.000 0.465 221 I N 0.610 121.198 120.570 0.030 0.000 2.058 221 I HA -0.291 3.896 4.170 0.028 0.000 0.235 221 I C 2.483 178.601 176.117 0.001 0.000 1.053 221 I CA 0.878 62.179 61.300 0.003 0.000 1.313 221 I CB -0.305 37.630 38.000 -0.108 0.000 1.039 221 I HN -0.034 nan 8.210 nan 0.000 0.396 222 L N 0.017 121.227 121.223 -0.021 0.000 2.010 222 L HA -0.327 4.029 4.340 0.028 0.000 0.219 222 L C 2.476 179.355 176.870 0.016 0.000 1.077 222 L CA 1.746 56.587 54.840 0.002 0.000 0.773 222 L CB -1.022 41.028 42.059 -0.014 0.000 0.892 222 L HN 0.310 nan 8.230 nan 0.000 0.436 223 E N -0.378 119.824 120.200 0.004 0.000 2.132 223 E HA -0.321 4.045 4.350 0.028 0.000 0.218 223 E C 2.075 178.688 176.600 0.022 0.000 1.058 223 E CA 2.536 58.941 56.400 0.008 0.000 0.882 223 E CB -0.248 29.460 29.700 0.013 0.000 0.774 223 E HN 0.507 nan 8.360 nan 0.000 0.467 224 T N 0.307 114.878 114.554 0.028 0.000 2.643 224 T HA -0.121 4.245 4.350 0.028 0.000 0.264 224 T C 1.703 176.421 174.700 0.031 0.000 1.045 224 T CA 0.952 63.069 62.100 0.029 0.000 1.155 224 T CB -0.128 68.760 68.868 0.034 0.000 0.863 224 T HN 0.072 nan 8.240 nan 0.000 0.420 225 R N 1.143 121.664 120.500 0.036 0.000 2.249 225 R HA 0.047 4.404 4.340 0.028 0.000 0.230 225 R C 2.374 178.701 176.300 0.045 0.000 1.121 225 R CA 0.986 57.101 56.100 0.024 0.000 0.997 225 R CB -0.764 29.556 30.300 0.033 0.000 0.867 225 R HN 0.440 nan 8.270 nan 0.000 0.465 226 A N 1.121 123.995 122.820 0.090 0.000 1.935 226 A HA -0.114 4.223 4.320 0.028 0.000 0.214 226 A C 1.938 179.614 177.584 0.153 0.000 1.178 226 A CA 0.780 52.931 52.037 0.190 0.000 0.640 226 A CB -0.100 18.954 19.000 0.091 0.000 0.825 226 A HN 0.347 nan 8.150 nan 0.000 0.447 227 E N 0.255 120.493 120.200 0.063 0.000 2.077 227 E HA -0.222 4.144 4.350 0.028 0.000 0.193 227 E C 1.862 178.462 176.600 -0.000 0.000 0.989 227 E CA 1.352 57.773 56.400 0.035 0.000 0.800 227 E CB -0.250 29.459 29.700 0.015 0.000 0.746 227 E HN 0.727 nan 8.360 nan 0.000 0.452 228 E N 0.403 120.576 120.200 -0.044 0.000 2.058 228 E HA -0.209 4.158 4.350 0.028 0.000 0.194 228 E C 1.990 178.463 176.600 -0.211 0.000 0.997 228 E CA 1.315 57.627 56.400 -0.146 0.000 0.801 228 E CB -0.057 29.511 29.700 -0.221 0.000 0.746 228 E HN 0.310 nan 8.360 nan 0.000 0.450 229 A N -0.090 122.616 122.820 -0.190 0.000 1.942 229 A HA 0.137 4.474 4.320 0.028 0.000 0.209 229 A C 0.621 178.044 177.584 -0.268 0.000 1.214 229 A CA 0.084 51.922 52.037 -0.331 0.000 0.686 229 A CB 0.015 18.757 19.000 -0.430 0.000 0.871 229 A HN 0.063 nan 8.150 nan 0.000 0.460 230 F N 1.380 121.331 119.950 0.003 0.000 2.370 230 F HA 0.273 4.820 4.527 0.033 0.000 0.324 230 F C 0.757 176.543 175.800 -0.023 0.000 1.116 230 F CA -0.595 57.408 58.000 0.006 0.000 1.123 230 F CB 0.628 39.610 39.000 -0.030 0.000 1.238 230 F HN 0.180 nan 8.300 nan 0.000 0.536 231 N N 2.615 121.411 118.700 0.160 0.000 2.503 231 N HA 0.170 4.926 4.740 0.028 0.000 0.267 231 N C -2.283 173.270 175.510 0.071 0.000 1.214 231 N CA -1.313 51.785 53.050 0.080 0.000 0.959 231 N CB 0.539 39.051 38.487 0.041 0.000 1.142 231 N HN 0.268 nan 8.380 nan 0.000 0.455 232 P HA 0.182 nan 4.420 nan 0.000 0.218 232 P C 0.020 177.320 177.300 0.001 0.000 1.826 232 P CA 0.090 63.202 63.100 0.021 0.000 0.946 232 P CB 0.021 31.730 31.700 0.014 0.000 1.728 233 G N -1.047 107.748 108.800 -0.009 0.000 4.260 233 G HA2 -0.102 3.874 3.960 0.028 0.000 0.164 233 G HA3 -0.102 3.874 3.960 0.028 0.000 0.164 233 G C 0.727 175.599 174.900 -0.046 0.000 0.955 233 G CA 0.380 45.464 45.100 -0.026 0.000 0.797 233 G HN 0.205 nan 8.290 nan 0.000 0.516 234 V N 0.721 120.609 119.914 -0.045 0.000 2.453 234 V HA 0.299 4.435 4.120 0.028 0.000 0.247 234 V C 1.189 177.201 176.094 -0.137 0.000 1.048 234 V CA 0.760 63.018 62.300 -0.069 0.000 1.049 234 V CB -0.204 31.594 31.823 -0.042 0.000 0.672 234 V HN 0.157 nan 8.190 nan 0.000 0.457 235 L N 2.282 123.382 121.223 -0.205 0.000 2.433 235 L HA 0.250 4.607 4.340 0.028 0.000 0.275 235 L C 0.305 177.061 176.870 -0.190 0.000 1.128 235 L CA 0.576 55.222 54.840 -0.323 0.000 0.875 235 L CB -0.125 41.650 42.059 -0.474 0.000 1.171 235 L HN 0.424 nan 8.230 nan 0.000 0.463 236 D N 5.817 126.122 120.400 -0.159 0.000 2.352 236 D HA 0.118 4.775 4.640 0.028 0.000 0.238 236 D C -2.191 174.051 176.300 -0.097 0.000 1.286 236 D CA -0.320 53.620 54.000 -0.100 0.000 0.923 236 D CB 0.481 41.236 40.800 -0.075 0.000 1.146 236 D HN 0.383 nan 8.370 nan 0.000 0.471 237 P HA 0.213 nan 4.420 nan 0.000 0.287 237 P C -0.996 176.269 177.300 -0.058 0.000 1.281 237 P CA -0.131 62.934 63.100 -0.059 0.000 0.781 237 P CB 1.204 32.879 31.700 -0.042 0.000 0.903 238 D N 0.493 120.857 120.400 -0.061 0.000 2.553 238 D HA -0.165 4.492 4.640 0.028 0.000 0.178 238 D C 1.347 177.604 176.300 -0.073 0.000 0.951 238 D CA 0.751 54.718 54.000 -0.056 0.000 1.015 238 D CB -1.903 38.873 40.800 -0.040 0.000 1.069 238 D HN 0.180 nan 8.370 nan 0.000 0.463 239 V N 0.604 120.462 119.914 -0.093 0.000 2.370 239 V HA -0.305 3.831 4.120 0.028 0.000 0.252 239 V C 2.376 178.403 176.094 -0.112 0.000 1.068 239 V CA 2.369 64.600 62.300 -0.115 0.000 1.061 239 V CB -0.233 31.508 31.823 -0.138 0.000 0.656 239 V HN 0.332 nan 8.190 nan 0.000 0.455 240 V N -0.145 119.708 119.914 -0.102 0.000 2.307 240 V HA -0.112 4.025 4.120 0.028 0.000 0.245 240 V C 0.144 176.198 176.094 -0.065 0.000 1.045 240 V CA 2.225 64.475 62.300 -0.083 0.000 1.024 240 V CB -1.971 29.807 31.823 -0.075 0.000 0.651 240 V HN 0.504 nan 8.190 nan 0.000 0.449 241 P HA -0.209 nan 4.420 nan 0.000 0.217 241 P C 1.915 179.186 177.300 -0.047 0.000 1.151 241 P CA 1.518 64.592 63.100 -0.044 0.000 0.849 241 P CB -0.051 31.626 31.700 -0.038 0.000 0.787 242 L N -1.064 120.119 121.223 -0.066 0.000 2.044 242 L HA -0.121 4.236 4.340 0.028 0.000 0.205 242 L C 2.280 179.103 176.870 -0.077 0.000 1.075 242 L CA 1.833 56.625 54.840 -0.079 0.000 0.747 242 L CB -1.264 40.716 42.059 -0.132 0.000 0.903 242 L HN -0.020 nan 8.230 nan 0.000 0.435 243 C N -0.221 119.029 119.300 -0.082 0.000 2.398 243 C HA -0.229 4.247 4.460 0.028 0.000 0.276 243 C C 3.014 177.978 174.990 -0.043 0.000 1.222 243 C CA 0.812 59.793 59.018 -0.062 0.000 1.746 243 C CB -1.649 26.059 27.740 -0.053 0.000 2.039 243 C HN 0.741 nan 8.230 nan 0.000 0.470 244 A N 0.675 123.468 122.820 -0.044 0.000 1.884 244 A HA -0.118 4.219 4.320 0.028 0.000 0.219 244 A C 2.403 179.974 177.584 -0.021 0.000 1.197 244 A CA 2.772 54.788 52.037 -0.036 0.000 0.637 244 A CB -1.219 17.757 19.000 -0.040 0.000 0.827 244 A HN 0.666 nan 8.150 nan 0.000 0.450 245 A N -0.683 122.125 122.820 -0.019 0.000 1.892 245 A HA -0.144 4.193 4.320 0.028 0.000 0.218 245 A C 2.219 179.805 177.584 0.002 0.000 1.188 245 A CA 1.850 53.885 52.037 -0.004 0.000 0.631 245 A CB -0.705 18.295 19.000 -0.001 0.000 0.822 245 A HN 0.493 nan 8.150 nan 0.000 0.447 246 L N -1.036 120.185 121.223 -0.003 0.000 2.093 246 L HA -0.124 4.233 4.340 0.028 0.000 0.208 246 L C 2.951 179.817 176.870 -0.006 0.000 1.085 246 L CA 1.176 56.020 54.840 0.006 0.000 0.755 246 L CB -0.306 41.757 42.059 0.006 0.000 0.904 246 L HN 0.416 nan 8.230 nan 0.000 0.435 247 A N -0.777 122.035 122.820 -0.015 0.000 2.067 247 A HA 0.088 4.425 4.320 0.028 0.000 0.217 247 A C 2.335 179.907 177.584 -0.021 0.000 1.156 247 A CA 1.182 53.204 52.037 -0.025 0.000 0.683 247 A CB -0.447 18.542 19.000 -0.019 0.000 0.808 247 A HN 0.357 nan 8.150 nan 0.000 0.455 248 A N -0.193 122.626 122.820 -0.001 0.000 2.081 248 A HA 0.046 4.383 4.320 0.028 0.000 0.214 248 A C 2.010 179.603 177.584 0.015 0.000 1.158 248 A CA 0.834 52.883 52.037 0.019 0.000 0.724 248 A CB -0.428 18.587 19.000 0.024 0.000 0.826 248 A HN 0.502 nan 8.150 nan 0.000 0.463 249 R N 0.330 120.833 120.500 0.005 0.000 2.397 249 R HA -0.168 4.189 4.340 0.028 0.000 0.213 249 R C 0.878 177.185 176.300 0.012 0.000 1.102 249 R CA 1.751 57.858 56.100 0.012 0.000 1.040 249 R CB -0.066 30.242 30.300 0.013 0.000 0.844 249 R HN 0.822 nan 8.270 nan 0.000 0.478 250 E N -1.362 118.839 120.200 0.002 0.000 3.339 250 E HA 0.090 4.457 4.350 0.028 0.000 0.226 250 E C -0.188 176.455 176.600 0.072 0.000 1.165 250 E CA -0.724 55.681 56.400 0.008 0.000 0.883 250 E CB -0.038 29.621 29.700 -0.067 0.000 3.249 250 E HN 0.383 nan 8.360 nan 0.000 0.568 251 H N 0.285 119.384 119.070 0.048 0.000 2.679 251 H HA 0.576 5.149 4.556 0.030 0.000 0.367 251 H C -0.208 175.166 175.328 0.077 0.000 1.162 251 H CA -0.860 55.221 56.048 0.055 0.000 1.181 251 H CB 1.745 31.536 29.762 0.048 0.000 1.693 251 H HN 0.441 nan 8.280 nan 0.000 0.538 252 G N 1.405 110.352 108.800 0.246 0.000 2.313 252 G HA2 0.167 4.144 3.960 0.028 0.000 0.250 252 G HA3 0.167 4.144 3.960 0.028 0.000 0.250 252 G C -0.615 174.459 174.900 0.289 0.000 1.281 252 G CA 0.131 45.371 45.100 0.233 0.000 0.917 252 G HN 0.718 nan 8.290 nan 0.000 0.501 253 D N 1.324 121.813 120.400 0.148 0.000 2.478 253 D HA 0.415 5.072 4.640 0.028 0.000 0.240 253 D C 0.682 177.034 176.300 0.086 0.000 1.364 253 D CA -0.113 53.966 54.000 0.132 0.000 0.987 253 D CB 1.317 42.096 40.800 -0.035 0.000 1.328 253 D HN 0.310 nan 8.370 nan 0.000 0.584 254 A N 4.263 127.151 122.820 0.114 0.000 1.975 254 A HA 0.031 4.368 4.320 0.028 0.000 0.215 254 A C 2.062 179.662 177.584 0.027 0.000 1.170 254 A CA 0.642 52.688 52.037 0.014 0.000 0.656 254 A CB -0.093 18.870 19.000 -0.062 0.000 0.821 254 A HN 0.580 nan 8.150 nan 0.000 0.449 255 R N -0.282 120.251 120.500 0.056 0.000 2.179 255 R HA -0.233 4.123 4.340 0.028 0.000 0.238 255 R C 2.391 178.712 176.300 0.035 0.000 1.119 255 R CA 2.314 58.443 56.100 0.048 0.000 0.915 255 R CB -0.285 30.050 30.300 0.058 0.000 0.870 255 R HN 0.351 nan 8.270 nan 0.000 0.432 256 R N -0.291 120.226 120.500 0.029 0.000 2.091 256 R HA -0.090 4.266 4.340 0.028 0.000 0.238 256 R C 2.200 178.507 176.300 0.011 0.000 1.136 256 R CA 1.500 57.610 56.100 0.017 0.000 0.959 256 R CB -1.043 29.257 30.300 -0.000 0.000 0.856 256 R HN 0.376 nan 8.270 nan 0.000 0.437 257 A N 1.264 124.085 122.820 0.002 0.000 1.892 257 A HA -0.147 4.190 4.320 0.028 0.000 0.218 257 A C 2.427 180.016 177.584 0.008 0.000 1.188 257 A CA 1.390 53.422 52.037 -0.009 0.000 0.631 257 A CB -0.589 18.391 19.000 -0.033 0.000 0.822 257 A HN 0.205 nan 8.150 nan 0.000 0.447 258 L N -1.318 119.916 121.223 0.018 0.000 2.049 258 L HA -0.109 4.247 4.340 0.028 0.000 0.203 258 L C 2.389 179.290 176.870 0.051 0.000 1.074 258 L CA 1.215 56.078 54.840 0.038 0.000 0.749 258 L CB -0.592 41.487 42.059 0.033 0.000 0.907 258 L HN 0.322 nan 8.230 nan 0.000 0.439 259 D N 0.155 120.580 120.400 0.041 0.000 2.303 259 D HA -0.262 4.394 4.640 0.028 0.000 0.190 259 D C 2.078 178.411 176.300 0.056 0.000 1.011 259 D CA 1.698 55.725 54.000 0.044 0.000 0.860 259 D CB -0.163 40.659 40.800 0.038 0.000 0.961 259 D HN -0.049 nan 8.370 nan 0.000 0.453 260 L N 0.499 121.748 121.223 0.043 0.000 1.951 260 L HA -0.175 4.182 4.340 0.028 0.000 0.222 260 L C 2.730 179.638 176.870 0.063 0.000 1.078 260 L CA 1.810 56.674 54.840 0.040 0.000 0.778 260 L CB -1.485 40.580 42.059 0.011 0.000 0.893 260 L HN 0.327 nan 8.230 nan 0.000 0.436 261 L N -0.552 120.709 121.223 0.064 0.000 2.265 261 L HA -0.217 4.139 4.340 0.028 0.000 0.215 261 L C 2.617 179.629 176.870 0.237 0.000 1.117 261 L CA 1.617 56.511 54.840 0.089 0.000 0.782 261 L CB -0.288 41.808 42.059 0.062 0.000 0.914 261 L HN 0.408 nan 8.230 nan 0.000 0.441 262 R N -1.027 119.610 120.500 0.228 0.000 2.090 262 R HA 0.022 4.379 4.340 0.028 0.000 0.219 262 R C 1.792 178.254 176.300 0.269 0.000 1.100 262 R CA 1.262 57.540 56.100 0.297 0.000 0.991 262 R CB -1.055 29.320 30.300 0.126 0.000 0.893 262 R HN 0.175 nan 8.270 nan 0.000 0.443 263 V N 1.877 121.888 119.914 0.161 0.000 2.469 263 V HA -0.246 3.891 4.120 0.028 0.000 0.251 263 V C 2.627 178.812 176.094 0.150 0.000 1.064 263 V CA 1.953 64.336 62.300 0.138 0.000 1.066 263 V CB -0.889 30.990 31.823 0.093 0.000 0.667 263 V HN 0.607 nan 8.190 nan 0.000 0.461 264 A N 0.541 123.448 122.820 0.144 0.000 1.883 264 A HA -0.134 4.202 4.320 0.028 0.000 0.217 264 A C 2.424 180.049 177.584 0.069 0.000 1.186 264 A CA 2.156 54.258 52.037 0.108 0.000 0.624 264 A CB -1.180 17.859 19.000 0.065 0.000 0.822 264 A HN 0.532 nan 8.150 nan 0.000 0.444 265 G N -1.130 107.764 108.800 0.157 0.000 2.408 265 G HA2 -0.120 3.856 3.960 0.028 0.000 0.215 265 G HA3 -0.120 3.856 3.960 0.028 0.000 0.215 265 G C 1.354 176.235 174.900 -0.030 0.000 1.156 265 G CA 0.977 46.078 45.100 0.002 0.000 0.793 265 G HN 0.593 nan 8.290 nan 0.000 0.535 266 E N -0.005 120.389 120.200 0.322 0.000 2.086 266 E HA -0.188 4.179 4.350 0.028 0.000 0.205 266 E C 2.328 178.987 176.600 0.098 0.000 1.027 266 E CA 1.400 57.967 56.400 0.278 0.000 0.830 266 E CB -0.195 29.636 29.700 0.218 0.000 0.751 266 E HN 0.487 nan 8.360 nan 0.000 0.456 267 I N -0.262 120.342 120.570 0.058 0.000 2.500 267 I HA -0.168 4.019 4.170 0.028 0.000 0.252 267 I C 2.305 178.395 176.117 -0.045 0.000 1.142 267 I CA 0.577 61.903 61.300 0.043 0.000 1.451 267 I CB -0.246 37.815 38.000 0.102 0.000 1.093 267 I HN 0.188 nan 8.210 nan 0.000 0.430 268 A N 0.696 123.365 122.820 -0.253 0.000 1.883 268 A HA -0.258 4.079 4.320 0.028 0.000 0.217 268 A C 2.181 179.648 177.584 -0.196 0.000 1.186 268 A CA 1.734 53.494 52.037 -0.462 0.000 0.624 268 A CB -0.629 17.989 19.000 -0.637 0.000 0.822 268 A HN 0.399 nan 8.150 nan 0.000 0.444 269 E N -0.754 119.362 120.200 -0.140 0.000 2.097 269 E HA -0.248 4.118 4.350 0.028 0.000 0.196 269 E C 2.321 178.910 176.600 -0.019 0.000 1.000 269 E CA 1.245 57.606 56.400 -0.065 0.000 0.804 269 E CB -0.163 29.531 29.700 -0.011 0.000 0.740 269 E HN 0.543 nan 8.360 nan 0.000 0.454 270 R N 0.375 120.876 120.500 0.001 0.000 2.113 270 R HA -0.111 4.245 4.340 0.028 0.000 0.231 270 R C 1.854 178.165 176.300 0.019 0.000 1.129 270 R CA 1.503 57.615 56.100 0.020 0.000 0.915 270 R CB -0.134 30.188 30.300 0.038 0.000 0.837 270 R HN 0.059 nan 8.270 nan 0.000 0.430 271 R N 1.741 122.256 120.500 0.026 0.000 2.386 271 R HA 0.041 4.398 4.340 0.028 0.000 0.216 271 R C -0.170 176.145 176.300 0.025 0.000 1.119 271 R CA 0.137 56.266 56.100 0.049 0.000 1.158 271 R CB -0.253 30.122 30.300 0.125 0.000 1.057 271 R HN 0.316 nan 8.270 nan 0.000 0.489 272 R N 1.165 121.663 120.500 -0.003 0.000 3.266 272 R HA -0.201 4.156 4.340 0.028 0.000 0.245 272 R C -0.281 176.010 176.300 -0.015 0.000 0.941 272 R CA 0.914 57.007 56.100 -0.012 0.000 0.638 272 R CB -1.539 28.761 30.300 0.001 0.000 1.019 272 R HN 0.491 nan 8.270 nan 0.000 0.462 273 E N 0.461 120.641 120.200 -0.034 0.000 2.281 273 E HA 0.165 4.531 4.350 0.028 0.000 0.262 273 E C -0.292 176.272 176.600 -0.061 0.000 0.933 273 E CA -0.711 55.672 56.400 -0.030 0.000 0.809 273 E CB 0.989 30.693 29.700 0.007 0.000 1.242 273 E HN 0.184 nan 8.360 nan 0.000 0.418 274 E N 1.646 121.821 120.200 -0.042 0.000 2.351 274 E HA 0.157 4.523 4.350 0.028 0.000 0.236 274 E C -0.468 176.098 176.600 -0.057 0.000 1.341 274 E CA 0.197 56.567 56.400 -0.050 0.000 1.579 274 E CB 0.173 29.855 29.700 -0.030 0.000 1.393 274 E HN 0.038 nan 8.360 nan 0.000 0.438 275 R N -0.125 120.329 120.500 -0.078 0.000 2.664 275 R HA 0.298 4.654 4.340 0.028 0.000 0.260 275 R C -1.386 174.843 176.300 -0.118 0.000 1.062 275 R CA -0.709 55.344 56.100 -0.077 0.000 0.902 275 R CB 1.697 31.981 30.300 -0.027 0.000 1.258 275 R HN 0.001 nan 8.270 nan 0.000 0.465 276 V N 0.957 120.791 119.914 -0.132 0.000 2.483 276 V HA 0.702 4.839 4.120 0.028 0.000 0.295 276 V C 0.199 176.318 176.094 0.042 0.000 1.035 276 V CA -0.887 61.367 62.300 -0.077 0.000 0.896 276 V CB 1.813 33.514 31.823 -0.203 0.000 0.986 276 V HN 0.764 nan 8.190 nan 0.000 0.447 277 R N 1.800 122.434 120.500 0.223 0.000 2.962 277 R HA 0.534 4.890 4.340 0.028 0.000 0.256 277 R C 1.259 177.539 176.300 -0.033 0.000 1.199 277 R CA -0.857 55.263 56.100 0.033 0.000 1.012 277 R CB 1.132 31.431 30.300 -0.001 0.000 1.289 277 R HN 0.521 nan 8.270 nan 0.000 0.462 278 R N 0.970 121.419 120.500 -0.086 0.000 2.134 278 R HA -0.272 4.084 4.340 0.028 0.000 0.248 278 R C 1.691 177.885 176.300 -0.177 0.000 1.143 278 R CA 2.516 58.526 56.100 -0.150 0.000 0.957 278 R CB -0.656 29.602 30.300 -0.070 0.000 0.867 278 R HN 0.710 nan 8.270 nan 0.000 0.441 279 E N 0.318 120.441 120.200 -0.129 0.000 2.033 279 E HA -0.220 4.147 4.350 0.028 0.000 0.199 279 E C 1.799 178.339 176.600 -0.099 0.000 1.011 279 E CA 1.477 57.819 56.400 -0.097 0.000 0.815 279 E CB -0.191 29.366 29.700 -0.238 0.000 0.755 279 E HN 0.515 nan 8.360 nan 0.000 0.451 280 H N -0.352 118.712 119.070 -0.010 0.000 2.518 280 H HA -0.076 4.498 4.556 0.030 0.000 0.292 280 H C 2.250 177.566 175.328 -0.020 0.000 1.068 280 H CA 1.204 57.249 56.048 -0.005 0.000 1.275 280 H CB -0.002 29.749 29.762 -0.019 0.000 1.375 280 H HN 0.166 nan 8.280 nan 0.000 0.563 281 V N 0.505 120.419 119.914 -0.000 0.000 2.283 281 V HA -0.233 3.903 4.120 0.028 0.000 0.243 281 V C 2.067 178.121 176.094 -0.067 0.000 1.039 281 V CA 1.418 63.662 62.300 -0.093 0.000 1.016 281 V CB -0.783 30.886 31.823 -0.257 0.000 0.650 281 V HN 0.326 nan 8.190 nan 0.000 0.449 282 Y N 0.078 120.385 120.300 0.013 0.000 2.128 282 Y HA -0.282 4.263 4.550 -0.008 0.000 0.284 282 Y C 3.000 178.910 175.900 0.017 0.000 1.154 282 Y CA 1.750 59.854 58.100 0.006 0.000 1.149 282 Y CB -0.483 37.971 38.460 -0.011 0.000 0.976 282 Y HN 0.216 nan 8.280 nan 0.000 0.505 283 S N -0.208 115.601 115.700 0.183 0.000 2.419 283 S HA -0.218 4.269 4.470 0.028 0.000 0.233 283 S C 2.120 176.784 174.600 0.105 0.000 1.016 283 S CA 0.891 59.164 58.200 0.122 0.000 0.974 283 S CB -0.477 62.787 63.200 0.106 0.000 0.786 283 S HN 0.462 nan 8.310 nan 0.000 0.492 284 A N 1.876 124.756 122.820 0.100 0.000 1.855 284 A HA -0.062 4.274 4.320 0.028 0.000 0.215 284 A C 2.177 179.806 177.584 0.076 0.000 1.191 284 A CA 1.512 53.599 52.037 0.083 0.000 0.613 284 A CB -0.850 18.191 19.000 0.069 0.000 0.829 284 A HN 0.570 nan 8.150 nan 0.000 0.442 285 R N -0.397 120.152 120.500 0.082 0.000 2.113 285 R HA -0.231 4.126 4.340 0.028 0.000 0.244 285 R C 2.333 178.677 176.300 0.074 0.000 1.142 285 R CA 1.778 57.927 56.100 0.081 0.000 0.953 285 R CB -0.492 29.875 30.300 0.113 0.000 0.860 285 R HN 0.485 nan 8.270 nan 0.000 0.438 286 A N 0.884 123.753 122.820 0.082 0.000 1.865 286 A HA -0.211 4.126 4.320 0.028 0.000 0.217 286 A C 2.066 179.683 177.584 0.055 0.000 1.191 286 A CA 1.592 53.667 52.037 0.063 0.000 0.623 286 A CB -0.647 18.390 19.000 0.062 0.000 0.826 286 A HN 0.450 nan 8.150 nan 0.000 0.444 287 E N -0.223 120.013 120.200 0.060 0.000 2.077 287 E HA -0.164 4.202 4.350 0.028 0.000 0.193 287 E C 2.022 178.652 176.600 0.049 0.000 0.989 287 E CA 1.202 57.635 56.400 0.054 0.000 0.800 287 E CB -0.209 29.526 29.700 0.059 0.000 0.746 287 E HN 0.667 nan 8.360 nan 0.000 0.452 288 I N 0.770 121.370 120.570 0.051 0.000 2.179 288 I HA -0.228 3.958 4.170 0.028 0.000 0.242 288 I C 2.542 178.683 176.117 0.041 0.000 1.088 288 I CA 1.103 62.431 61.300 0.046 0.000 1.357 288 I CB -0.483 37.544 38.000 0.046 0.000 1.051 288 I HN 0.147 nan 8.210 nan 0.000 0.409 289 E N 1.040 121.264 120.200 0.041 0.000 2.072 289 E HA -0.167 4.200 4.350 0.028 0.000 0.190 289 E C 2.318 178.938 176.600 0.034 0.000 0.982 289 E CA 0.881 57.303 56.400 0.036 0.000 0.803 289 E CB 0.063 29.784 29.700 0.035 0.000 0.755 289 E HN 0.413 nan 8.360 nan 0.000 0.453 290 R N 0.540 121.061 120.500 0.035 0.000 2.152 290 R HA -0.105 4.251 4.340 0.028 0.000 0.232 290 R C 1.956 178.275 176.300 0.032 0.000 1.117 290 R CA 1.049 57.168 56.100 0.032 0.000 0.981 290 R CB -0.036 30.284 30.300 0.032 0.000 0.870 290 R HN 0.204 nan 8.270 nan 0.000 0.451 291 D N 0.061 120.481 120.400 0.034 0.000 2.162 291 D HA -0.096 4.560 4.640 0.028 0.000 0.205 291 D C 1.961 178.281 176.300 0.032 0.000 0.964 291 D CA 0.387 54.407 54.000 0.033 0.000 0.847 291 D CB 0.158 40.979 40.800 0.035 0.000 0.988 291 D HN 0.038 nan 8.370 nan 0.000 0.480 292 R N 1.387 121.907 120.500 0.033 0.000 2.094 292 R HA -0.149 4.208 4.340 0.028 0.000 0.239 292 R C 2.203 178.521 176.300 0.030 0.000 1.137 292 R CA 1.270 57.389 56.100 0.033 0.000 0.943 292 R CB -0.849 29.471 30.300 0.034 0.000 0.850 292 R HN 0.054 nan 8.270 nan 0.000 0.433 293 V N 0.580 120.512 119.914 0.030 0.000 2.231 293 V HA -0.253 3.884 4.120 0.028 0.000 0.248 293 V C 2.581 178.692 176.094 0.028 0.000 1.054 293 V CA 2.305 64.622 62.300 0.029 0.000 1.015 293 V CB -0.816 31.024 31.823 0.028 0.000 0.638 293 V HN 0.442 nan 8.190 nan 0.000 0.444 294 S N -1.277 114.440 115.700 0.028 0.000 2.383 294 S HA -0.270 4.216 4.470 0.028 0.000 0.229 294 S C 2.097 176.714 174.600 0.028 0.000 1.030 294 S CA 1.956 60.172 58.200 0.028 0.000 1.002 294 S CB -0.322 62.895 63.200 0.027 0.000 0.829 294 S HN 0.697 nan 8.310 nan 0.000 0.467 295 E N 0.012 120.228 120.200 0.028 0.000 2.106 295 E HA -0.113 4.254 4.350 0.028 0.000 0.192 295 E C 1.915 178.531 176.600 0.026 0.000 0.984 295 E CA 1.350 57.766 56.400 0.027 0.000 0.806 295 E CB 0.014 29.731 29.700 0.028 0.000 0.750 295 E HN 0.424 nan 8.360 nan 0.000 0.458 296 V N 0.535 120.464 119.914 0.026 0.000 2.221 296 V HA -0.234 3.902 4.120 0.028 0.000 0.242 296 V C 2.465 178.576 176.094 0.027 0.000 1.041 296 V CA 1.518 63.833 62.300 0.025 0.000 0.995 296 V CB -0.682 31.156 31.823 0.026 0.000 0.635 296 V HN 0.152 nan 8.190 nan 0.000 0.448 297 V N -0.140 119.791 119.914 0.029 0.000 2.568 297 V HA -0.264 3.873 4.120 0.028 0.000 0.253 297 V C 2.618 178.732 176.094 0.033 0.000 1.072 297 V CA 1.939 64.258 62.300 0.031 0.000 1.084 297 V CB -0.928 30.914 31.823 0.031 0.000 0.676 297 V HN 0.434 nan 8.190 nan 0.000 0.469 298 R N 0.535 121.053 120.500 0.031 0.000 2.070 298 R HA -0.114 4.242 4.340 0.028 0.000 0.232 298 R C 1.848 178.166 176.300 0.031 0.000 1.138 298 R CA 1.822 57.941 56.100 0.032 0.000 0.936 298 R CB -0.661 29.656 30.300 0.029 0.000 0.839 298 R HN 0.653 nan 8.270 nan 0.000 0.429 299 T N -0.125 114.446 114.554 0.028 0.000 4.029 299 T HA 0.265 4.632 4.350 0.028 0.000 0.226 299 T C -0.198 174.518 174.700 0.027 0.000 0.838 299 T CA -0.092 62.024 62.100 0.026 0.000 0.907 299 T CB -0.250 68.631 68.868 0.022 0.000 1.296 299 T HN -0.150 nan 8.240 nan 0.000 0.711 300 L N 1.860 123.102 121.223 0.031 0.000 2.385 300 L HA 0.600 4.957 4.340 0.028 0.000 0.273 300 L C -2.512 174.381 176.870 0.038 0.000 0.990 300 L CA -2.447 52.413 54.840 0.033 0.000 0.821 300 L CB 1.988 44.068 42.059 0.035 0.000 1.279 300 L HN 0.035 nan 8.230 nan 0.000 0.412 301 P HA -0.052 nan 4.420 nan 0.000 0.267 301 P C 0.757 178.088 177.300 0.051 0.000 1.195 301 P CA -0.048 63.083 63.100 0.052 0.000 0.773 301 P CB 0.478 32.216 31.700 0.064 0.000 0.837 302 L N 3.430 124.670 121.223 0.028 0.000 1.963 302 L HA -0.259 4.098 4.340 0.028 0.000 0.220 302 L C 2.176 179.012 176.870 -0.058 0.000 1.076 302 L CA 2.083 56.885 54.840 -0.064 0.000 0.772 302 L CB -1.256 40.679 42.059 -0.208 0.000 0.892 302 L HN 0.450 nan 8.230 nan 0.000 0.435 303 H N -0.680 118.424 119.070 0.058 0.000 2.457 303 H HA 0.009 4.582 4.556 0.027 0.000 0.294 303 H C 2.096 177.494 175.328 0.116 0.000 1.064 303 H CA 0.992 57.133 56.048 0.155 0.000 1.330 303 H CB -0.145 29.729 29.762 0.187 0.000 1.395 303 H HN 0.592 nan 8.280 nan 0.000 0.541 304 A N 1.994 124.908 122.820 0.158 0.000 1.877 304 A HA -0.180 4.156 4.320 0.028 0.000 0.216 304 A C 2.355 179.986 177.584 0.079 0.000 1.186 304 A CA 1.334 53.421 52.037 0.083 0.000 0.620 304 A CB -0.268 18.766 19.000 0.057 0.000 0.822 304 A HN 0.263 nan 8.150 nan 0.000 0.443 305 K N -0.395 120.047 120.400 0.071 0.000 2.044 305 K HA -0.165 4.171 4.320 0.028 0.000 0.210 305 K C 1.937 178.589 176.600 0.087 0.000 1.049 305 K CA 1.676 58.001 56.287 0.063 0.000 0.927 305 K CB -0.583 31.946 32.500 0.047 0.000 0.713 305 K HN 0.514 nan 8.250 nan 0.000 0.443 306 L N 0.827 122.121 121.223 0.119 0.000 2.083 306 L HA -0.175 4.181 4.340 0.028 0.000 0.209 306 L C 2.477 179.496 176.870 0.248 0.000 1.083 306 L CA 0.696 55.639 54.840 0.172 0.000 0.752 306 L CB -0.555 41.617 42.059 0.189 0.000 0.899 306 L HN -0.032 nan 8.230 nan 0.000 0.433 307 V N -0.036 120.018 119.914 0.234 0.000 2.255 307 V HA -0.330 3.807 4.120 0.028 0.000 0.247 307 V C 2.449 178.603 176.094 0.100 0.000 1.051 307 V CA 1.822 64.204 62.300 0.136 0.000 1.018 307 V CB -0.588 31.235 31.823 0.001 0.000 0.641 307 V HN 0.318 nan 8.190 nan 0.000 0.445 308 L N -0.231 121.037 121.223 0.076 0.000 2.021 308 L HA -0.213 4.144 4.340 0.028 0.000 0.215 308 L C 2.258 179.167 176.870 0.064 0.000 1.074 308 L CA 2.068 56.944 54.840 0.059 0.000 0.760 308 L CB -1.054 41.035 42.059 0.050 0.000 0.889 308 L HN 0.309 nan 8.230 nan 0.000 0.433 309 L N -0.646 120.622 121.223 0.074 0.000 1.990 309 L HA -0.230 4.126 4.340 0.028 0.000 0.213 309 L C 2.613 179.525 176.870 0.071 0.000 1.072 309 L CA 2.296 57.177 54.840 0.067 0.000 0.755 309 L CB -1.125 40.974 42.059 0.067 0.000 0.889 309 L HN 0.432 nan 8.230 nan 0.000 0.432 310 S N -0.272 115.488 115.700 0.100 0.000 2.374 310 S HA -0.216 4.270 4.470 0.028 0.000 0.227 310 S C 1.961 176.607 174.600 0.076 0.000 1.037 310 S CA 1.896 60.157 58.200 0.102 0.000 1.024 310 S CB -0.674 62.623 63.200 0.162 0.000 0.861 310 S HN 0.515 nan 8.310 nan 0.000 0.456 311 I N 1.743 122.354 120.570 0.068 0.000 2.142 311 I HA -0.197 3.990 4.170 0.028 0.000 0.240 311 I C 2.563 178.704 176.117 0.041 0.000 1.078 311 I CA 1.066 62.396 61.300 0.050 0.000 1.343 311 I CB -0.539 37.486 38.000 0.042 0.000 1.046 311 I HN 0.208 nan 8.210 nan 0.000 0.405 312 M N -0.085 119.540 119.600 0.040 0.000 2.116 312 M HA -0.306 4.190 4.480 0.028 0.000 0.255 312 M C 2.390 178.708 176.300 0.031 0.000 1.075 312 M CA 2.143 57.463 55.300 0.033 0.000 1.087 312 M CB -0.943 31.678 32.600 0.034 0.000 1.340 312 M HN 0.362 nan 8.290 nan 0.000 0.402 313 M N -1.002 118.619 119.600 0.035 0.000 2.419 313 M HA -0.061 4.435 4.480 0.028 0.000 0.264 313 M C 1.978 178.294 176.300 0.028 0.000 1.082 313 M CA 0.923 56.241 55.300 0.030 0.000 1.119 313 M CB -0.072 32.548 32.600 0.033 0.000 1.398 313 M HN 0.275 nan 8.290 nan 0.000 0.453 314 L N -0.647 120.595 121.223 0.032 0.000 2.316 314 L HA -0.005 4.352 4.340 0.028 0.000 0.207 314 L C 2.271 179.155 176.870 0.023 0.000 1.070 314 L CA 0.483 55.340 54.840 0.029 0.000 0.820 314 L CB -0.508 41.573 42.059 0.036 0.000 0.992 314 L HN 0.302 nan 8.230 nan 0.000 0.466 315 E N 0.942 121.156 120.200 0.023 0.000 2.515 315 E HA -0.148 4.218 4.350 0.028 0.000 0.201 315 E C -0.373 176.236 176.600 0.015 0.000 1.071 315 E CA 0.140 56.552 56.400 0.019 0.000 0.880 315 E CB -0.023 29.689 29.700 0.020 0.000 0.828 315 E HN 0.312 nan 8.360 nan 0.000 0.540 316 D N 0.722 121.131 120.400 0.016 0.000 2.382 316 D HA 0.182 4.839 4.640 0.028 0.000 0.259 316 D C 0.784 177.090 176.300 0.010 0.000 1.224 316 D CA 1.189 55.196 54.000 0.012 0.000 0.894 316 D CB 0.881 41.688 40.800 0.012 0.000 1.127 316 D HN 0.410 nan 8.370 nan 0.000 0.487 317 G N 2.599 111.403 108.800 0.007 0.000 2.826 317 G HA2 -0.156 3.821 3.960 0.028 0.000 0.233 317 G HA3 -0.156 3.821 3.960 0.028 0.000 0.233 317 G C 0.694 175.597 174.900 0.005 0.000 1.296 317 G CA 0.244 45.347 45.100 0.005 0.000 1.001 317 G HN 0.681 nan 8.290 nan 0.000 0.576 318 G N -0.946 107.857 108.800 0.005 0.000 2.633 318 G HA2 0.310 4.286 3.960 0.028 0.000 0.198 318 G HA3 0.310 4.286 3.960 0.028 0.000 0.198 318 G C 0.745 175.649 174.900 0.006 0.000 1.198 318 G CA 0.773 45.876 45.100 0.005 0.000 0.685 318 G HN 0.626 nan 8.290 nan 0.000 0.868 319 R N 2.191 122.694 120.500 0.005 0.000 4.314 319 R HA -0.009 4.348 4.340 0.028 0.000 0.237 319 R C -2.096 174.210 176.300 0.010 0.000 0.670 319 R CA -0.424 55.679 56.100 0.005 0.000 0.943 319 R CB -0.500 29.802 30.300 0.004 0.000 0.942 319 R HN 0.203 nan 8.270 nan 0.000 0.334 320 P HA -0.099 nan 4.420 nan 0.000 0.267 320 P C -0.812 176.499 177.300 0.018 0.000 1.195 320 P CA 0.278 63.386 63.100 0.014 0.000 0.773 320 P CB 0.602 32.309 31.700 0.012 0.000 0.837 321 A N 2.401 125.235 122.820 0.023 0.000 2.366 321 A HA 0.443 4.780 4.320 0.028 0.000 0.272 321 A C 0.465 178.067 177.584 0.031 0.000 1.135 321 A CA -0.188 51.867 52.037 0.031 0.000 0.804 321 A CB -0.283 18.739 19.000 0.038 0.000 1.064 321 A HN 0.561 nan 8.150 nan 0.000 0.499 322 S N 2.361 118.082 115.700 0.036 0.000 2.565 322 S HA 0.241 4.727 4.470 0.028 0.000 0.276 322 S C 1.194 175.820 174.600 0.043 0.000 1.326 322 S CA 0.160 58.382 58.200 0.037 0.000 1.045 322 S CB 0.682 63.908 63.200 0.043 0.000 0.918 322 S HN 0.704 nan 8.310 nan 0.000 0.505 323 T N 3.435 118.006 114.554 0.029 0.000 2.653 323 T HA -0.208 4.159 4.350 0.028 0.000 0.267 323 T C 2.005 176.736 174.700 0.052 0.000 1.037 323 T CA 2.188 64.300 62.100 0.020 0.000 1.159 323 T CB -1.309 67.554 68.868 -0.008 0.000 0.859 323 T HN 0.907 nan 8.240 nan 0.000 0.449 324 G N 1.086 109.924 108.800 0.062 0.000 2.480 324 G HA2 -0.241 3.735 3.960 0.028 0.000 0.216 324 G HA3 -0.241 3.735 3.960 0.028 0.000 0.216 324 G C 1.438 176.424 174.900 0.143 0.000 1.200 324 G CA 1.042 46.204 45.100 0.103 0.000 0.782 324 G HN 0.568 nan 8.290 nan 0.000 0.554 325 E N 0.005 120.268 120.200 0.105 0.000 2.085 325 E HA -0.111 4.256 4.350 0.028 0.000 0.194 325 E C 2.508 179.184 176.600 0.126 0.000 0.994 325 E CA 0.727 57.187 56.400 0.099 0.000 0.801 325 E CB -0.196 29.546 29.700 0.069 0.000 0.743 325 E HN 0.492 nan 8.360 nan 0.000 0.453 326 I N 0.334 120.981 120.570 0.128 0.000 2.208 326 I HA -0.317 3.869 4.170 0.028 0.000 0.245 326 I C 2.309 178.575 176.117 0.248 0.000 1.097 326 I CA 1.114 62.501 61.300 0.146 0.000 1.363 326 I CB -0.246 37.813 38.000 0.098 0.000 1.051 326 I HN 0.162 nan 8.210 nan 0.000 0.413 327 Y N 1.828 122.187 120.300 0.098 0.000 2.097 327 Y HA -0.275 4.291 4.550 0.027 0.000 0.282 327 Y C 2.543 178.583 175.900 0.233 0.000 1.152 327 Y CA 1.648 59.848 58.100 0.167 0.000 1.136 327 Y CB -0.308 38.218 38.460 0.111 0.000 0.975 327 Y HN 0.190 nan 8.280 nan 0.000 0.498 328 E N -0.276 120.002 120.200 0.129 0.000 2.072 328 E HA -0.203 4.163 4.350 0.028 0.000 0.191 328 E C 2.371 178.950 176.600 -0.035 0.000 0.985 328 E CA 1.220 57.603 56.400 -0.029 0.000 0.801 328 E CB -0.379 29.331 29.700 0.017 0.000 0.750 328 E HN 0.345 nan 8.360 nan 0.000 0.452 329 R N 0.031 120.552 120.500 0.035 0.000 2.193 329 R HA -0.110 4.247 4.340 0.028 0.000 0.213 329 R C 2.225 178.547 176.300 0.037 0.000 1.055 329 R CA 0.482 56.594 56.100 0.020 0.000 0.995 329 R CB -0.358 29.967 30.300 0.041 0.000 0.893 329 R HN 0.157 nan 8.270 nan 0.000 0.459 330 Y N 1.253 121.553 120.300 -0.001 0.000 2.070 330 Y HA -0.259 4.308 4.550 0.028 0.000 0.280 330 Y C 1.664 177.535 175.900 -0.050 0.000 1.148 330 Y CA 1.816 59.926 58.100 0.018 0.000 1.125 330 Y CB -0.126 38.395 38.460 0.102 0.000 0.975 330 Y HN -0.096 nan 8.280 nan 0.000 0.492 331 K N 0.337 120.553 120.400 -0.306 0.000 2.059 331 K HA -0.275 4.061 4.320 0.028 0.000 0.212 331 K C 2.012 178.388 176.600 -0.373 0.000 1.050 331 K CA 2.228 58.223 56.287 -0.487 0.000 0.927 331 K CB -0.318 31.896 32.500 -0.476 0.000 0.714 331 K HN 0.569 nan 8.250 nan 0.000 0.447 332 E N 0.721 120.784 120.200 -0.229 0.000 2.038 332 E HA -0.190 4.177 4.350 0.028 0.000 0.195 332 E C 2.202 178.708 176.600 -0.156 0.000 1.000 332 E CA 1.109 57.415 56.400 -0.157 0.000 0.803 332 E CB -0.112 29.535 29.700 -0.088 0.000 0.750 332 E HN 0.205 nan 8.360 nan 0.000 0.448 333 L N 0.786 121.915 121.223 -0.157 0.000 1.971 333 L HA -0.262 4.095 4.340 0.028 0.000 0.215 333 L C 2.963 179.738 176.870 -0.157 0.000 1.072 333 L CA 1.986 56.752 54.840 -0.124 0.000 0.758 333 L CB -1.216 40.791 42.059 -0.087 0.000 0.889 333 L HN 0.421 nan 8.230 nan 0.000 0.433 334 T N -2.890 111.494 114.554 -0.283 0.000 2.597 334 T HA -0.304 4.063 4.350 0.028 0.000 0.267 334 T C 2.071 176.693 174.700 -0.130 0.000 1.053 334 T CA 1.999 63.964 62.100 -0.226 0.000 1.165 334 T CB -0.960 67.731 68.868 -0.295 0.000 0.863 334 T HN 0.460 nan 8.240 nan 0.000 0.427 335 S N 1.690 117.296 115.700 -0.157 0.000 2.365 335 S HA -0.200 4.286 4.470 0.028 0.000 0.225 335 S C 2.192 176.755 174.600 -0.061 0.000 1.039 335 S CA 2.132 60.270 58.200 -0.103 0.000 1.033 335 S CB -1.777 61.345 63.200 -0.130 0.000 0.887 335 S HN 0.661 nan 8.310 nan 0.000 0.447 336 T N 1.733 116.248 114.554 -0.065 0.000 2.969 336 T HA 0.034 4.401 4.350 0.028 0.000 0.271 336 T C 1.236 175.932 174.700 -0.007 0.000 1.127 336 T CA 1.403 63.482 62.100 -0.035 0.000 1.102 336 T CB -0.363 68.484 68.868 -0.036 0.000 0.855 336 T HN 0.413 nan 8.240 nan 0.000 0.536 337 L N -0.810 120.416 121.223 0.004 0.000 2.966 337 L HA 0.388 4.745 4.340 0.028 0.000 0.262 337 L C 1.525 178.439 176.870 0.073 0.000 1.165 337 L CA -0.059 54.820 54.840 0.066 0.000 0.978 337 L CB 0.429 42.561 42.059 0.121 0.000 1.337 337 L HN 0.298 nan 8.230 nan 0.000 0.563 338 G N 1.216 110.031 108.800 0.026 0.000 2.225 338 G HA2 -0.242 3.735 3.960 0.028 0.000 0.264 338 G HA3 -0.242 3.735 3.960 0.028 0.000 0.264 338 G C -0.450 174.472 174.900 0.036 0.000 1.060 338 G CA -0.051 45.066 45.100 0.028 0.000 0.833 338 G HN 0.101 nan 8.290 nan 0.000 0.498 339 L N 0.763 121.998 121.223 0.019 0.000 2.329 339 L HA 0.520 4.877 4.340 0.028 0.000 0.279 339 L C 0.979 177.895 176.870 0.076 0.000 1.014 339 L CA -1.476 53.385 54.840 0.033 0.000 0.814 339 L CB 1.220 43.270 42.059 -0.015 0.000 1.257 339 L HN 0.456 nan 8.230 nan 0.000 0.424 340 E N 2.362 122.625 120.200 0.105 0.000 2.636 340 E HA -0.106 4.261 4.350 0.028 0.000 0.278 340 E C -0.737 176.005 176.600 0.237 0.000 1.064 340 E CA 0.424 56.914 56.400 0.149 0.000 1.011 340 E CB -0.056 29.691 29.700 0.078 0.000 1.029 340 E HN 0.693 nan 8.360 nan 0.000 0.463 341 H N -0.722 118.370 119.070 0.037 0.000 2.717 341 H HA 0.430 5.003 4.556 0.027 0.000 0.366 341 H C 0.159 175.552 175.328 0.110 0.000 1.132 341 H CA -0.746 55.356 56.048 0.090 0.000 1.180 341 H CB 0.904 30.681 29.762 0.025 0.000 1.678 341 H HN 0.487 nan 8.280 nan 0.000 0.537 342 V N 1.471 121.440 119.914 0.092 0.000 3.751 342 V HA 0.348 4.485 4.120 0.028 0.000 0.279 342 V C 0.299 176.437 176.094 0.074 0.000 1.010 342 V CA -0.207 62.073 62.300 -0.034 0.000 1.015 342 V CB 0.121 31.899 31.823 -0.076 0.000 1.240 342 V HN 0.888 nan 8.190 nan 0.000 0.438 343 T N 1.246 115.803 114.554 0.006 0.000 2.824 343 T HA 0.296 4.663 4.350 0.028 0.000 0.277 343 T C 0.960 175.552 174.700 -0.179 0.000 0.975 343 T CA 0.115 62.214 62.100 -0.002 0.000 0.966 343 T CB 1.117 69.940 68.868 -0.076 0.000 1.054 343 T HN 0.789 nan 8.240 nan 0.000 0.533 344 L N 1.116 122.011 121.223 -0.547 0.000 2.005 344 L HA -0.017 4.339 4.340 0.028 0.000 0.207 344 L C 2.500 179.117 176.870 -0.423 0.000 1.072 344 L CA 1.847 56.115 54.840 -0.954 0.000 0.744 344 L CB -0.972 40.538 42.059 -0.916 0.000 0.895 344 L HN 0.513 nan 8.230 nan 0.000 0.433 345 R N 0.854 121.196 120.500 -0.264 0.000 2.190 345 R HA -0.289 4.067 4.340 0.028 0.000 0.255 345 R C 2.407 178.617 176.300 -0.150 0.000 1.143 345 R CA 2.656 58.657 56.100 -0.165 0.000 0.965 345 R CB -0.867 29.363 30.300 -0.116 0.000 0.889 345 R HN 0.493 nan 8.270 nan 0.000 0.448 346 R N -0.564 119.844 120.500 -0.153 0.000 2.055 346 R HA 0.047 4.404 4.340 0.028 0.000 0.226 346 R C 2.257 178.467 176.300 -0.150 0.000 1.135 346 R CA 1.630 57.655 56.100 -0.126 0.000 0.959 346 R CB -0.773 29.463 30.300 -0.106 0.000 0.854 346 R HN 0.095 nan 8.270 nan 0.000 0.431 347 V N 0.740 120.527 119.914 -0.211 0.000 2.233 347 V HA -0.357 3.780 4.120 0.028 0.000 0.252 347 V C 2.379 178.374 176.094 -0.165 0.000 1.063 347 V CA 2.411 64.567 62.300 -0.240 0.000 1.032 347 V CB -1.057 30.595 31.823 -0.284 0.000 0.645 347 V HN 0.641 nan 8.190 nan 0.000 0.446 348 S N 0.242 115.839 115.700 -0.171 0.000 2.359 348 S HA -0.210 4.277 4.470 0.028 0.000 0.223 348 S C 2.090 176.638 174.600 -0.087 0.000 1.039 348 S CA 2.269 60.398 58.200 -0.118 0.000 1.042 348 S CB -0.930 62.196 63.200 -0.122 0.000 0.915 348 S HN 0.681 nan 8.310 nan 0.000 0.439 349 G N 1.682 110.429 108.800 -0.088 0.000 2.491 349 G HA2 -0.172 3.804 3.960 0.028 0.000 0.218 349 G HA3 -0.172 3.804 3.960 0.028 0.000 0.218 349 G C 1.492 176.359 174.900 -0.055 0.000 1.180 349 G CA 1.107 46.168 45.100 -0.065 0.000 0.774 349 G HN 0.597 nan 8.290 nan 0.000 0.562 350 I N 0.677 121.208 120.570 -0.064 0.000 2.194 350 I HA -0.202 3.985 4.170 0.028 0.000 0.246 350 I C 2.733 178.829 176.117 -0.036 0.000 1.093 350 I CA 0.858 62.130 61.300 -0.047 0.000 1.355 350 I CB -0.296 37.668 38.000 -0.060 0.000 1.046 350 I HN 0.196 nan 8.210 nan 0.000 0.413 351 I N 0.536 121.079 120.570 -0.045 0.000 2.099 351 I HA -0.327 3.859 4.170 0.028 0.000 0.239 351 I C 2.689 178.794 176.117 -0.020 0.000 1.066 351 I CA 1.791 63.074 61.300 -0.028 0.000 1.324 351 I CB -0.487 37.494 38.000 -0.030 0.000 1.037 351 I HN 0.238 nan 8.210 nan 0.000 0.401 352 S N 0.315 115.999 115.700 -0.026 0.000 2.374 352 S HA -0.232 4.254 4.470 0.028 0.000 0.227 352 S C 1.733 176.323 174.600 -0.016 0.000 1.037 352 S CA 1.451 59.638 58.200 -0.021 0.000 1.024 352 S CB -0.436 62.747 63.200 -0.028 0.000 0.861 352 S HN 0.472 nan 8.310 nan 0.000 0.456 353 E N 1.350 121.540 120.200 -0.017 0.000 2.005 353 E HA -0.131 4.235 4.350 0.028 0.000 0.198 353 E C 2.110 178.710 176.600 0.000 0.000 1.010 353 E CA 1.288 57.683 56.400 -0.009 0.000 0.825 353 E CB -0.496 29.199 29.700 -0.008 0.000 0.769 353 E HN 0.351 nan 8.360 nan 0.000 0.456 354 L N 0.833 122.057 121.223 0.002 0.000 2.085 354 L HA -0.325 4.031 4.340 0.028 0.000 0.218 354 L C 2.366 179.242 176.870 0.010 0.000 1.080 354 L CA 1.831 56.677 54.840 0.009 0.000 0.776 354 L CB -0.640 41.425 42.059 0.009 0.000 0.891 354 L HN 0.271 nan 8.230 nan 0.000 0.437 355 D N -0.731 119.672 120.400 0.005 0.000 2.178 355 D HA -0.170 4.486 4.640 0.028 0.000 0.202 355 D C 2.328 178.634 176.300 0.010 0.000 0.974 355 D CA 0.960 54.964 54.000 0.007 0.000 0.841 355 D CB 0.134 40.935 40.800 0.002 0.000 0.953 355 D HN 0.228 nan 8.370 nan 0.000 0.478 356 M N -0.285 119.319 119.600 0.007 0.000 2.098 356 M HA -0.037 4.460 4.480 0.028 0.000 0.262 356 M C 2.130 178.443 176.300 0.021 0.000 1.072 356 M CA 0.824 56.131 55.300 0.011 0.000 1.133 356 M CB -0.356 32.246 32.600 0.002 0.000 1.344 356 M HN 0.087 nan 8.290 nan 0.000 0.414 357 L N 0.551 121.786 121.223 0.020 0.000 2.556 357 L HA -0.125 4.232 4.340 0.028 0.000 0.230 357 L C 1.344 178.230 176.870 0.027 0.000 1.163 357 L CA 0.738 55.593 54.840 0.026 0.000 0.819 357 L CB -1.497 40.576 42.059 0.023 0.000 0.939 357 L HN 0.697 nan 8.230 nan 0.000 0.452 358 G N -0.009 108.806 108.800 0.024 0.000 2.258 358 G HA2 -0.318 3.659 3.960 0.028 0.000 0.274 358 G HA3 -0.318 3.659 3.960 0.028 0.000 0.274 358 G C 0.926 175.840 174.900 0.024 0.000 1.021 358 G CA 0.554 45.669 45.100 0.025 0.000 0.798 358 G HN 0.422 nan 8.290 nan 0.000 0.507 359 I N -1.180 119.404 120.570 0.023 0.000 3.030 359 I HA 0.301 4.488 4.170 0.028 0.000 0.270 359 I C 0.783 176.913 176.117 0.021 0.000 1.211 359 I CA 0.984 62.298 61.300 0.023 0.000 1.479 359 I CB 0.246 38.260 38.000 0.024 0.000 1.105 359 I HN 0.081 nan 8.210 nan 0.000 0.447 360 V N 0.717 120.642 119.914 0.019 0.000 3.126 360 V HA 0.439 4.576 4.120 0.028 0.000 0.314 360 V C -1.034 175.069 176.094 0.016 0.000 1.138 360 V CA -0.733 61.578 62.300 0.017 0.000 1.034 360 V CB 2.542 34.374 31.823 0.016 0.000 1.075 360 V HN 0.032 nan 8.190 nan 0.000 0.442 361 K N 1.244 121.652 120.400 0.015 0.000 2.468 361 K HA 0.711 5.047 4.320 0.028 0.000 0.252 361 K C -1.065 175.541 176.600 0.011 0.000 0.932 361 K CA -0.274 56.021 56.287 0.013 0.000 0.794 361 K CB 2.115 34.623 32.500 0.015 0.000 1.241 361 K HN 0.842 nan 8.250 nan 0.000 0.428 362 S N 2.003 117.708 115.700 0.009 0.000 2.526 362 S HA 0.710 5.196 4.470 0.028 0.000 0.293 362 S C -0.833 173.771 174.600 0.006 0.000 1.092 362 S CA -0.991 57.212 58.200 0.007 0.000 0.980 362 S CB 1.978 65.179 63.200 0.003 0.000 1.048 362 S HN 0.563 nan 8.310 nan 0.000 0.483 363 R N 0.984 121.488 120.500 0.006 0.000 2.589 363 R HA 0.693 5.049 4.340 0.028 0.000 0.293 363 R C -0.898 175.405 176.300 0.005 0.000 0.963 363 R CA -0.782 55.322 56.100 0.006 0.000 0.905 363 R CB 1.619 31.924 30.300 0.007 0.000 1.144 363 R HN 0.845 nan 8.270 nan 0.000 0.459 364 V N 3.820 123.736 119.914 0.003 0.000 2.333 364 V HA 0.732 4.869 4.120 0.028 0.000 0.274 364 V C -1.196 174.901 176.094 0.005 0.000 1.028 364 V CA -0.360 61.942 62.300 0.003 0.000 0.851 364 V CB 1.175 32.997 31.823 -0.001 0.000 1.000 364 V HN 0.578 nan 8.190 nan 0.000 0.456 365 V N 4.942 124.861 119.914 0.009 0.000 2.891 365 V HA 0.657 4.794 4.120 0.028 0.000 0.304 365 V C -0.100 176.005 176.094 0.018 0.000 1.171 365 V CA 0.382 62.689 62.300 0.012 0.000 0.943 365 V CB 2.517 34.347 31.823 0.012 0.000 1.037 365 V HN 1.347 nan 8.190 nan 0.000 0.427 366 S N 5.870 121.582 115.700 0.019 0.000 2.584 366 S HA 0.510 4.997 4.470 0.028 0.000 0.273 366 S C 0.547 175.171 174.600 0.040 0.000 1.311 366 S CA -0.434 57.783 58.200 0.028 0.000 1.034 366 S CB 0.785 63.999 63.200 0.024 0.000 0.939 366 S HN 0.813 nan 8.310 nan 0.000 0.513 367 R N 3.105 123.642 120.500 0.063 0.000 2.696 367 R HA 0.387 4.744 4.340 0.028 0.000 0.355 367 R C 1.295 177.669 176.300 0.122 0.000 1.138 367 R CA -0.093 56.060 56.100 0.088 0.000 1.059 367 R CB -0.367 30.006 30.300 0.121 0.000 1.380 367 R HN 0.938 nan 8.270 nan 0.000 0.578 368 G N 2.686 111.534 108.800 0.080 0.000 2.509 368 G HA2 -0.460 3.516 3.960 0.028 0.000 0.256 368 G HA3 -0.460 3.516 3.960 0.028 0.000 0.256 368 G C 0.621 175.556 174.900 0.059 0.000 1.152 368 G CA 0.424 45.567 45.100 0.072 0.000 0.951 368 G HN 0.430 nan 8.290 nan 0.000 0.559 369 R N -0.044 120.490 120.500 0.057 0.000 2.285 369 R HA 0.151 4.507 4.340 0.028 0.000 0.213 369 R C 1.979 178.230 176.300 -0.083 0.000 1.068 369 R CA 1.916 58.008 56.100 -0.013 0.000 1.004 369 R CB -0.453 29.830 30.300 -0.029 0.000 0.873 369 R HN 0.573 nan 8.270 nan 0.000 0.467 370 Y N 0.590 120.892 120.300 0.004 0.000 2.465 370 Y HA 0.234 4.801 4.550 0.028 0.000 0.311 370 Y C 1.086 176.989 175.900 0.006 0.000 1.204 370 Y CA 0.817 58.920 58.100 0.006 0.000 1.272 370 Y CB 0.295 38.759 38.460 0.007 0.000 1.083 370 Y HN 0.457 nan 8.280 nan 0.000 0.508 371 G N 0.583 109.413 108.800 0.051 0.000 2.500 371 G HA2 -0.202 3.775 3.960 0.028 0.000 0.209 371 G HA3 -0.202 3.775 3.960 0.028 0.000 0.209 371 G C -1.081 173.844 174.900 0.042 0.000 1.283 371 G CA -0.561 44.556 45.100 0.029 0.000 0.960 371 G HN 0.185 nan 8.290 nan 0.000 0.528 372 K N -0.733 119.684 120.400 0.029 0.000 2.553 372 K HA 0.709 5.046 4.320 0.028 0.000 0.250 372 K C -0.734 175.878 176.600 0.019 0.000 0.953 372 K CA 0.009 56.309 56.287 0.023 0.000 0.800 372 K CB 1.991 34.497 32.500 0.010 0.000 1.243 372 K HN 0.966 nan 8.250 nan 0.000 0.435 373 T N 1.711 116.277 114.554 0.020 0.000 2.665 373 T HA 0.484 4.851 4.350 0.028 0.000 0.303 373 T C -1.616 173.091 174.700 0.011 0.000 1.334 373 T CA -0.756 61.353 62.100 0.016 0.000 1.011 373 T CB 1.112 69.998 68.868 0.030 0.000 1.573 373 T HN 0.565 nan 8.240 nan 0.000 0.492 374 R N 1.294 121.800 120.500 0.009 0.000 2.514 374 R HA 0.469 4.826 4.340 0.028 0.000 0.301 374 R C -0.753 175.555 176.300 0.013 0.000 0.962 374 R CA -0.613 55.492 56.100 0.008 0.000 0.882 374 R CB 1.279 31.579 30.300 0.000 0.000 1.143 374 R HN 0.502 nan 8.270 nan 0.000 0.452 375 E N 2.342 122.549 120.200 0.012 0.000 2.105 375 E HA 0.149 4.516 4.350 0.028 0.000 0.285 375 E C -0.680 175.928 176.600 0.012 0.000 1.055 375 E CA -0.349 56.059 56.400 0.013 0.000 0.843 375 E CB 1.170 30.877 29.700 0.012 0.000 1.067 375 E HN 0.168 nan 8.360 nan 0.000 0.398 376 V N 2.774 122.697 119.914 0.015 0.000 2.472 376 V HA 0.411 4.547 4.120 0.028 0.000 0.290 376 V C 0.235 176.339 176.094 0.017 0.000 1.037 376 V CA -0.566 61.743 62.300 0.015 0.000 0.908 376 V CB 1.341 33.174 31.823 0.016 0.000 0.985 376 V HN 0.704 nan 8.190 nan 0.000 0.454 377 S N 4.596 120.305 115.700 0.015 0.000 2.627 377 S HA 0.666 5.152 4.470 0.028 0.000 0.283 377 S C -0.955 173.655 174.600 0.017 0.000 1.127 377 S CA -0.828 57.382 58.200 0.016 0.000 0.863 377 S CB 1.794 65.003 63.200 0.014 0.000 1.121 377 S HN 0.621 nan 8.310 nan 0.000 0.479 378 L N 2.260 123.493 121.223 0.018 0.000 2.367 378 L HA 0.282 4.638 4.340 0.028 0.000 0.275 378 L C 0.829 177.710 176.870 0.017 0.000 1.129 378 L CA 0.118 54.970 54.840 0.019 0.000 0.839 378 L CB 1.050 43.121 42.059 0.020 0.000 1.133 378 L HN 1.046 nan 8.230 nan 0.000 0.453 379 D N 3.004 123.415 120.400 0.018 0.000 2.324 379 D HA 0.025 4.682 4.640 0.028 0.000 0.212 379 D C 0.515 176.826 176.300 0.019 0.000 0.984 379 D CA 0.278 54.289 54.000 0.018 0.000 0.885 379 D CB 0.521 41.332 40.800 0.019 0.000 0.996 379 D HN 0.464 nan 8.370 nan 0.000 0.505 380 A N 0.487 123.319 122.820 0.020 0.000 2.271 380 A HA 0.320 4.657 4.320 0.028 0.000 0.288 380 A C -0.059 177.537 177.584 0.020 0.000 1.094 380 A CA -0.368 51.682 52.037 0.021 0.000 0.828 380 A CB 0.345 19.359 19.000 0.023 0.000 1.091 380 A HN 0.160 nan 8.150 nan 0.000 0.493 381 D N -0.012 120.401 120.400 0.020 0.000 2.570 381 D HA -0.022 4.635 4.640 0.028 0.000 0.243 381 D C 1.204 177.515 176.300 0.019 0.000 1.171 381 D CA 0.473 54.485 54.000 0.019 0.000 0.879 381 D CB 0.356 41.168 40.800 0.020 0.000 1.143 381 D HN 0.464 nan 8.370 nan 0.000 0.511 382 R N 2.891 123.401 120.500 0.017 0.000 2.073 382 R HA -0.109 4.248 4.340 0.028 0.000 0.234 382 R C 2.080 178.391 176.300 0.018 0.000 1.134 382 R CA 1.470 57.581 56.100 0.018 0.000 0.952 382 R CB -0.377 29.933 30.300 0.016 0.000 0.850 382 R HN 0.473 nan 8.270 nan 0.000 0.433 383 L N 0.045 121.278 121.223 0.017 0.000 2.141 383 L HA 0.021 4.378 4.340 0.028 0.000 0.209 383 L C 2.424 179.305 176.870 0.019 0.000 1.094 383 L CA 1.559 56.409 54.840 0.017 0.000 0.763 383 L CB -0.953 41.114 42.059 0.014 0.000 0.908 383 L HN 0.130 nan 8.230 nan 0.000 0.437 384 A N 0.628 123.460 122.820 0.020 0.000 1.852 384 A HA -0.236 4.101 4.320 0.028 0.000 0.217 384 A C 2.426 180.024 177.584 0.023 0.000 1.215 384 A CA 2.702 54.752 52.037 0.022 0.000 0.641 384 A CB -1.315 17.699 19.000 0.024 0.000 0.838 384 A HN 0.170 nan 8.150 nan 0.000 0.450 385 V N 0.043 119.971 119.914 0.024 0.000 2.278 385 V HA -0.350 3.787 4.120 0.028 0.000 0.251 385 V C 2.458 178.568 176.094 0.026 0.000 1.062 385 V CA 2.533 64.849 62.300 0.026 0.000 1.038 385 V CB -0.975 30.864 31.823 0.027 0.000 0.646 385 V HN 0.641 nan 8.190 nan 0.000 0.447 386 E N 0.015 120.229 120.200 0.024 0.000 2.019 386 E HA -0.317 4.050 4.350 0.028 0.000 0.208 386 E C 2.202 178.815 176.600 0.022 0.000 1.030 386 E CA 1.785 58.198 56.400 0.022 0.000 0.856 386 E CB -0.382 29.329 29.700 0.019 0.000 0.781 386 E HN 0.523 nan 8.360 nan 0.000 0.471 387 N N 0.423 119.135 118.700 0.020 0.000 2.137 387 N HA -0.190 4.566 4.740 0.028 0.000 0.190 387 N C 1.501 177.024 175.510 0.022 0.000 1.017 387 N CA 1.455 54.516 53.050 0.019 0.000 0.859 387 N CB -0.326 38.171 38.487 0.018 0.000 1.002 387 N HN 0.235 nan 8.380 nan 0.000 0.428 388 A N 0.969 123.803 122.820 0.024 0.000 1.852 388 A HA -0.178 4.158 4.320 0.028 0.000 0.217 388 A C 2.419 180.021 177.584 0.030 0.000 1.215 388 A CA 1.840 53.893 52.037 0.027 0.000 0.641 388 A CB -1.202 17.814 19.000 0.028 0.000 0.838 388 A HN 0.355 nan 8.150 nan 0.000 0.450 389 L N 0.617 121.859 121.223 0.032 0.000 2.051 389 L HA -0.276 4.081 4.340 0.028 0.000 0.214 389 L C 2.961 179.853 176.870 0.035 0.000 1.076 389 L CA 1.947 56.809 54.840 0.037 0.000 0.758 389 L CB -0.738 41.344 42.059 0.037 0.000 0.890 389 L HN 0.621 nan 8.230 nan 0.000 0.433 390 S N -0.748 114.969 115.700 0.027 0.000 2.399 390 S HA -0.210 4.276 4.470 0.028 0.000 0.231 390 S C 1.735 176.347 174.600 0.020 0.000 1.022 390 S CA 1.245 59.457 58.200 0.021 0.000 0.983 390 S CB -0.454 62.755 63.200 0.015 0.000 0.803 390 S HN 0.504 nan 8.310 nan 0.000 0.480 391 E N 1.491 121.705 120.200 0.023 0.000 2.153 391 E HA -0.066 4.300 4.350 0.028 0.000 0.194 391 E C 0.562 177.180 176.600 0.030 0.000 0.988 391 E CA 0.713 57.126 56.400 0.022 0.000 0.811 391 E CB -0.089 29.625 29.700 0.024 0.000 0.746 391 E HN 0.557 nan 8.360 nan 0.000 0.466 392 D N 0.489 120.915 120.400 0.043 0.000 2.371 392 D HA -0.009 4.647 4.640 0.028 0.000 0.256 392 D C -1.951 174.387 176.300 0.063 0.000 1.193 392 D CA -1.716 52.324 54.000 0.067 0.000 0.881 392 D CB 1.256 42.108 40.800 0.086 0.000 1.143 392 D HN -0.107 nan 8.370 nan 0.000 0.473 393 P HA 0.055 nan 4.420 nan 0.000 0.242 393 P C 0.604 177.823 177.300 -0.136 0.000 1.197 393 P CA 0.409 63.480 63.100 -0.049 0.000 0.765 393 P CB 0.113 31.763 31.700 -0.084 0.000 0.936 394 F N -0.677 119.264 119.950 -0.016 0.000 2.208 394 F HA -0.083 4.461 4.527 0.027 0.000 0.282 394 F C 2.338 178.122 175.800 -0.026 0.000 1.071 394 F CA 0.860 58.844 58.000 -0.026 0.000 1.228 394 F CB -0.937 38.039 39.000 -0.041 0.000 1.088 394 F HN -0.384 nan 8.300 nan 0.000 0.512 395 V N 0.533 120.557 119.914 0.182 0.000 2.324 395 V HA -0.375 3.762 4.120 0.028 0.000 0.250 395 V C 2.560 178.685 176.094 0.052 0.000 1.060 395 V CA 1.752 64.109 62.300 0.095 0.000 1.042 395 V CB -1.734 30.134 31.823 0.073 0.000 0.650 395 V HN 0.408 nan 8.190 nan 0.000 0.450 396 A N -0.158 122.683 122.820 0.034 0.000 1.927 396 A HA -0.325 4.012 4.320 0.028 0.000 0.220 396 A C 2.426 180.006 177.584 -0.007 0.000 1.185 396 A CA 2.319 54.360 52.037 0.006 0.000 0.639 396 A CB -0.660 18.333 19.000 -0.011 0.000 0.820 396 A HN 0.464 nan 8.150 nan 0.000 0.451 397 R N -0.602 119.886 120.500 -0.021 0.000 2.103 397 R HA -0.152 4.205 4.340 0.028 0.000 0.242 397 R C 1.409 177.704 176.300 -0.009 0.000 1.142 397 R CA 1.659 57.740 56.100 -0.030 0.000 0.960 397 R CB -0.652 29.619 30.300 -0.049 0.000 0.858 397 R HN 0.612 nan 8.270 nan 0.000 0.439 398 L N 2.040 123.268 121.223 0.008 0.000 2.821 398 L HA 0.034 4.390 4.340 0.028 0.000 0.254 398 L C 0.747 177.622 176.870 0.007 0.000 1.151 398 L CA -0.039 54.807 54.840 0.009 0.000 0.937 398 L CB -0.901 41.169 42.059 0.018 0.000 1.141 398 L HN 0.160 nan 8.230 nan 0.000 0.425 399 L N 0.000 121.224 121.223 0.002 0.000 2.949 399 L HA 0.000 4.357 4.340 0.028 0.000 0.249 399 L CA 0.000 54.840 54.840 0.001 0.000 0.813 399 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 399 L HN 0.000 nan 8.230 nan 0.000 0.502