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 3chi_1_A DATA FIRST_RESID 24 DATA SEQUENCE GSATLGRLVR AWPRRAAVVN KADILDEWAD YDTLVPDYPL EIVPFAEHPL DATA SEQUENCE FLAAEPHQRQ RVLTGMWIGY NERVIATEQL IAEPAFDLVM HGVFPGSDDP DATA SEQUENCE LIRKSVQQAI VDESFHTYMH MLAIDRTREL RKISERPPQP ELVTYRRLRR DATA SEQUENCE VLADMPEQWE RDIAVLVWGA VAETCINALL ALLARDATIQ PMHSLITTLH DATA SEQUENCE LRDETAHGSI VVEVVRELYA RMNEQQRRAL VRCLPIALEA FAEQDLSALL DATA SEQUENCE LELNAAGIRG AEEIVGDLXX XXXXXRLVRD FSGARKMVEQ LGLDDAVDFD DATA SEQUENCE FPERPDWS 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 24 G C 0.000 174.908 174.900 0.014 0.000 0.946 24 G CA 0.000 45.108 45.100 0.013 0.000 0.502 25 S N -0.035 115.675 115.700 0.016 0.000 2.544 25 S HA 0.382 4.854 4.470 0.004 0.000 0.290 25 S C 1.812 176.422 174.600 0.017 0.000 1.276 25 S CA 0.897 59.107 58.200 0.017 0.000 1.075 25 S CB 0.661 63.873 63.200 0.020 0.000 0.849 25 S HN 1.849 nan 8.310 nan 0.000 0.494 26 A N 5.082 127.912 122.820 0.017 0.000 1.933 26 A HA -0.042 4.280 4.320 0.004 0.000 0.218 26 A C 2.273 179.870 177.584 0.022 0.000 1.175 26 A CA 2.191 54.239 52.037 0.018 0.000 0.628 26 A CB -1.392 17.618 19.000 0.017 0.000 0.814 26 A HN 0.869 nan 8.150 nan 0.000 0.444 27 T N -0.038 114.530 114.554 0.023 0.000 2.708 27 T HA -0.118 4.234 4.350 0.004 0.000 0.266 27 T C 1.815 176.535 174.700 0.032 0.000 1.037 27 T CA 1.470 63.587 62.100 0.028 0.000 1.146 27 T CB -0.342 68.542 68.868 0.027 0.000 0.865 27 T HN 0.269 nan 8.240 nan 0.000 0.435 28 L N 1.371 122.611 121.223 0.027 0.000 2.012 28 L HA 0.050 4.392 4.340 0.004 0.000 0.210 28 L C 2.635 179.520 176.870 0.024 0.000 1.073 28 L CA 1.969 56.824 54.840 0.025 0.000 0.748 28 L CB -1.272 40.797 42.059 0.017 0.000 0.891 28 L HN 0.324 nan 8.230 nan 0.000 0.431 29 G N -0.985 107.829 108.800 0.022 0.000 2.529 29 G HA2 -0.334 3.628 3.960 0.004 0.000 0.219 29 G HA3 -0.334 3.628 3.960 0.004 0.000 0.219 29 G C 1.781 176.701 174.900 0.034 0.000 1.177 29 G CA 0.990 46.104 45.100 0.023 0.000 0.773 29 G HN 0.359 nan 8.290 nan 0.000 0.573 30 R N -0.349 120.173 120.500 0.037 0.000 2.103 30 R HA -0.038 4.304 4.340 0.004 0.000 0.242 30 R C 2.711 179.049 176.300 0.063 0.000 1.142 30 R CA 1.345 57.472 56.100 0.045 0.000 0.960 30 R CB -0.484 29.841 30.300 0.041 0.000 0.858 30 R HN 0.366 nan 8.270 nan 0.000 0.439 31 L N -0.211 121.052 121.223 0.066 0.000 2.093 31 L HA -0.140 4.202 4.340 0.004 0.000 0.208 31 L C 2.345 179.284 176.870 0.115 0.000 1.085 31 L CA 0.749 55.644 54.840 0.092 0.000 0.755 31 L CB -0.256 41.854 42.059 0.085 0.000 0.904 31 L HN 0.011 nan 8.230 nan 0.000 0.435 32 V N -0.229 119.729 119.914 0.073 0.000 2.307 32 V HA -0.246 3.876 4.120 0.004 0.000 0.245 32 V C 2.594 178.761 176.094 0.121 0.000 1.045 32 V CA 1.722 64.060 62.300 0.064 0.000 1.024 32 V CB -0.505 31.324 31.823 0.009 0.000 0.651 32 V HN 0.394 nan 8.190 nan 0.000 0.449 33 R N 0.098 120.655 120.500 0.094 0.000 2.115 33 R HA -0.037 4.305 4.340 0.004 0.000 0.230 33 R C 2.221 178.590 176.300 0.115 0.000 1.111 33 R CA 1.281 57.438 56.100 0.096 0.000 0.976 33 R CB -0.448 29.889 30.300 0.061 0.000 0.870 33 R HN 0.520 nan 8.270 nan 0.000 0.445 34 A N 0.011 122.903 122.820 0.121 0.000 2.167 34 A HA -0.134 4.188 4.320 0.004 0.000 0.214 34 A C 1.653 179.322 177.584 0.141 0.000 1.151 34 A CA 0.272 52.373 52.037 0.107 0.000 0.735 34 A CB -0.561 18.494 19.000 0.091 0.000 0.802 34 A HN 0.564 nan 8.150 nan 0.000 0.467 35 W N 1.755 123.064 121.300 0.014 0.000 2.335 35 W HA -0.120 4.541 4.660 0.001 0.000 0.311 35 W C -1.250 175.271 176.519 0.003 0.000 1.213 35 W CA 2.459 59.813 57.345 0.016 0.000 1.274 35 W CB -1.190 28.277 29.460 0.011 0.000 1.148 35 W HN 0.260 nan 8.180 nan 0.000 0.498 36 P HA -0.210 nan 4.420 nan 0.000 0.216 36 P C 1.069 178.171 177.300 -0.330 0.000 1.150 36 P CA 2.711 65.560 63.100 -0.418 0.000 0.837 36 P CB -0.336 31.280 31.700 -0.140 0.000 0.786 37 R N -1.004 119.394 120.500 -0.169 0.000 2.297 37 R HA 0.160 4.502 4.340 0.004 0.000 0.197 37 R C 2.124 178.356 176.300 -0.114 0.000 0.943 37 R CA 0.300 56.325 56.100 -0.125 0.000 1.038 37 R CB -0.382 29.881 30.300 -0.061 0.000 0.957 37 R HN 0.168 nan 8.270 nan 0.000 0.484 38 R N 1.481 121.903 120.500 -0.129 0.000 2.146 38 R HA 0.211 4.554 4.340 0.004 0.000 0.206 38 R C 0.199 176.434 176.300 -0.108 0.000 1.049 38 R CA 0.564 56.623 56.100 -0.068 0.000 1.029 38 R CB 0.261 30.570 30.300 0.014 0.000 0.949 38 R HN 0.174 nan 8.270 nan 0.000 0.471 39 A N 0.857 123.511 122.820 -0.276 0.000 2.511 39 A HA 0.323 4.645 4.320 0.004 0.000 0.242 39 A C 1.230 178.712 177.584 -0.170 0.000 1.069 39 A CA 0.640 52.522 52.037 -0.258 0.000 0.763 39 A CB 0.515 19.108 19.000 -0.679 0.000 1.001 39 A HN 0.530 nan 8.150 nan 0.000 0.498 40 A N 2.841 125.670 122.820 0.016 0.000 1.917 40 A HA -0.107 4.215 4.320 0.004 0.000 0.219 40 A C 2.150 179.554 177.584 -0.300 0.000 1.182 40 A CA 2.076 54.163 52.037 0.082 0.000 0.633 40 A CB -0.996 18.269 19.000 0.441 0.000 0.819 40 A HN 1.579 nan 8.150 nan 0.000 0.448 41 V N -0.354 119.176 119.914 -0.640 0.000 2.407 41 V HA -0.187 3.936 4.120 0.004 0.000 0.248 41 V C 2.363 178.046 176.094 -0.685 0.000 1.055 41 V CA 2.397 63.950 62.300 -1.245 0.000 1.049 41 V CB -0.290 31.070 31.823 -0.771 0.000 0.662 41 V HN 0.339 nan 8.190 nan 0.000 0.455 42 V N 0.607 120.227 119.914 -0.489 0.000 2.407 42 V HA -0.106 4.016 4.120 0.004 0.000 0.245 42 V C 2.100 178.038 176.094 -0.260 0.000 1.041 42 V CA 2.226 64.299 62.300 -0.377 0.000 1.040 42 V CB -0.682 30.868 31.823 -0.455 0.000 0.671 42 V HN 0.616 nan 8.190 nan 0.000 0.455 43 N N -0.447 118.119 118.700 -0.225 0.000 2.356 43 N HA 0.051 4.793 4.740 0.004 0.000 0.178 43 N C 0.841 176.316 175.510 -0.057 0.000 1.075 43 N CA 0.329 53.305 53.050 -0.124 0.000 0.889 43 N CB 0.508 38.934 38.487 -0.102 0.000 0.999 43 N HN 0.244 nan 8.380 nan 0.000 0.464 44 K N 0.768 121.139 120.400 -0.047 0.000 3.350 44 K HA 0.337 4.659 4.320 0.004 0.000 0.181 44 K C 0.130 176.834 176.600 0.172 0.000 1.064 44 K CA -0.170 56.165 56.287 0.079 0.000 0.839 44 K CB 0.868 33.461 32.500 0.155 0.000 0.819 44 K HN -0.068 nan 8.250 nan 0.000 0.523 45 A N 0.989 123.823 122.820 0.025 0.000 2.019 45 A HA -0.158 4.165 4.320 0.004 0.000 0.219 45 A C 1.102 178.860 177.584 0.290 0.000 1.164 45 A CA 1.781 53.876 52.037 0.098 0.000 0.644 45 A CB -0.226 18.746 19.000 -0.046 0.000 0.805 45 A HN 0.475 nan 8.150 nan 0.000 0.449 46 D N -0.214 120.312 120.400 0.211 0.000 2.504 46 D HA 0.050 4.692 4.640 0.004 0.000 0.243 46 D C 0.927 177.377 176.300 0.250 0.000 1.203 46 D CA -0.321 53.805 54.000 0.210 0.000 0.847 46 D CB -0.460 40.418 40.800 0.130 0.000 0.973 46 D HN 0.306 nan 8.370 nan 0.000 0.490 47 I N 0.240 121.014 120.570 0.339 0.000 2.335 47 I HA -0.233 3.939 4.170 0.004 0.000 0.251 47 I C 1.829 178.157 176.117 0.351 0.000 1.129 47 I CA 0.747 62.235 61.300 0.313 0.000 1.402 47 I CB -0.154 38.032 38.000 0.310 0.000 1.069 47 I HN 0.169 nan 8.210 nan 0.000 0.424 48 L N 0.512 121.916 121.223 0.301 0.000 2.079 48 L HA -0.227 4.115 4.340 0.004 0.000 0.210 48 L C 1.804 178.863 176.870 0.316 0.000 1.081 48 L CA 1.984 56.974 54.840 0.250 0.000 0.752 48 L CB -1.180 40.975 42.059 0.160 0.000 0.896 48 L HN 0.226 nan 8.230 nan 0.000 0.433 49 D N -0.358 120.191 120.400 0.247 0.000 2.309 49 D HA -0.128 4.514 4.640 0.004 0.000 0.212 49 D C 1.918 178.341 176.300 0.206 0.000 0.968 49 D CA 0.597 54.716 54.000 0.199 0.000 0.882 49 D CB -0.008 40.877 40.800 0.141 0.000 0.918 49 D HN 0.436 nan 8.370 nan 0.000 0.503 50 E N -0.696 119.642 120.200 0.231 0.000 2.418 50 E HA -0.097 4.255 4.350 0.004 0.000 0.197 50 E C 1.576 178.170 176.600 -0.011 0.000 1.026 50 E CA 0.201 56.636 56.400 0.059 0.000 0.862 50 E CB -0.143 29.521 29.700 -0.061 0.000 0.799 50 E HN 0.566 nan 8.360 nan 0.000 0.518 51 W N 0.651 121.990 121.300 0.064 0.000 3.180 51 W HA 0.151 4.815 4.660 0.007 0.000 0.254 51 W C 1.880 178.451 176.519 0.087 0.000 1.318 51 W CA 0.301 57.695 57.345 0.081 0.000 1.608 51 W CB -0.089 29.389 29.460 0.030 0.000 1.124 51 W HN 0.048 nan 8.180 nan 0.000 0.694 52 A N 2.257 125.212 122.820 0.224 0.000 1.883 52 A HA -0.306 4.016 4.320 0.004 0.000 0.232 52 A C 0.723 178.390 177.584 0.138 0.000 1.671 52 A CA 2.783 54.908 52.037 0.148 0.000 0.748 52 A CB -1.147 17.909 19.000 0.092 0.000 0.850 52 A HN 0.332 nan 8.150 nan 0.000 0.488 53 D N -3.324 117.141 120.400 0.109 0.000 2.943 53 D HA 0.389 5.031 4.640 0.004 0.000 0.347 53 D C -0.305 176.051 176.300 0.094 0.000 1.305 53 D CA -0.552 53.504 54.000 0.092 0.000 0.870 53 D CB -0.640 40.185 40.800 0.041 0.000 1.081 53 D HN 0.474 nan 8.370 nan 0.000 0.492 54 Y N 1.384 121.702 120.300 0.031 0.000 2.811 54 Y HA 0.136 4.690 4.550 0.005 0.000 0.334 54 Y C -0.258 175.646 175.900 0.006 0.000 1.247 54 Y CA 0.415 58.528 58.100 0.022 0.000 1.526 54 Y CB 0.694 39.232 38.460 0.131 0.000 1.284 54 Y HN 0.150 nan 8.280 nan 0.000 0.586 55 D N 3.936 123.947 120.400 -0.647 0.000 2.505 55 D HA 0.126 4.768 4.640 0.004 0.000 0.250 55 D C 0.680 176.521 176.300 -0.764 0.000 1.164 55 D CA -0.019 53.675 54.000 -0.510 0.000 0.870 55 D CB 1.162 41.792 40.800 -0.285 0.000 1.160 55 D HN 0.649 nan 8.370 nan 0.000 0.549 56 T N 1.352 115.580 114.554 -0.543 0.000 2.946 56 T HA -0.152 4.200 4.350 0.004 0.000 0.271 56 T C 1.745 176.338 174.700 -0.177 0.000 1.104 56 T CA 0.773 62.702 62.100 -0.285 0.000 1.114 56 T CB -0.236 68.642 68.868 0.018 0.000 0.867 56 T HN 0.472 nan 8.240 nan 0.000 0.513 57 L N 0.796 121.911 121.223 -0.180 0.000 2.492 57 L HA 0.212 4.554 4.340 0.004 0.000 0.223 57 L C 0.674 177.472 176.870 -0.120 0.000 1.132 57 L CA -0.119 54.657 54.840 -0.108 0.000 0.850 57 L CB -0.289 41.721 42.059 -0.081 0.000 0.966 57 L HN 0.190 nan 8.230 nan 0.000 0.454 58 V N 1.556 121.357 119.914 -0.187 0.000 2.555 58 V HA 0.153 4.275 4.120 0.004 0.000 0.286 58 V C -1.895 174.110 176.094 -0.148 0.000 1.044 58 V CA -1.283 60.907 62.300 -0.183 0.000 1.026 58 V CB 0.623 32.292 31.823 -0.255 0.000 0.981 58 V HN 0.028 nan 8.190 nan 0.000 0.480 59 P HA 0.281 nan 4.420 nan 0.000 0.276 59 P C -0.046 177.216 177.300 -0.062 0.000 1.252 59 P CA -0.412 62.667 63.100 -0.035 0.000 0.802 59 P CB 0.876 32.577 31.700 0.001 0.000 1.035 60 D N -1.267 119.160 120.400 0.046 0.000 2.305 60 D HA 0.022 4.664 4.640 0.004 0.000 0.206 60 D C -0.118 176.246 176.300 0.108 0.000 0.974 60 D CA 1.355 55.392 54.000 0.062 0.000 0.871 60 D CB -0.023 40.895 40.800 0.198 0.000 0.947 60 D HN 0.363 nan 8.370 nan 0.000 0.516 61 Y N -0.372 119.926 120.300 -0.004 0.000 2.519 61 Y HA 0.338 4.890 4.550 0.003 0.000 0.336 61 Y C -2.646 173.244 175.900 -0.017 0.000 1.089 61 Y CA -2.284 55.829 58.100 0.022 0.000 1.025 61 Y CB 2.317 40.848 38.460 0.119 0.000 1.318 61 Y HN -0.257 nan 8.280 nan 0.000 0.452 62 P HA 0.196 nan 4.420 nan 0.000 0.287 62 P C 0.387 177.663 177.300 -0.040 0.000 1.281 62 P CA -0.284 62.729 63.100 -0.146 0.000 0.781 62 P CB 1.481 33.038 31.700 -0.239 0.000 0.903 63 L N 3.796 125.035 121.223 0.026 0.000 2.042 63 L HA -0.220 4.122 4.340 0.004 0.000 0.210 63 L C 2.297 179.150 176.870 -0.028 0.000 1.076 63 L CA 1.964 56.828 54.840 0.041 0.000 0.749 63 L CB -0.826 41.280 42.059 0.078 0.000 0.893 63 L HN 0.467 nan 8.230 nan 0.000 0.432 64 E N 0.145 120.319 120.200 -0.042 0.000 2.113 64 E HA -0.301 4.051 4.350 0.004 0.000 0.210 64 E C 1.946 178.499 176.600 -0.078 0.000 1.040 64 E CA 2.499 58.866 56.400 -0.056 0.000 0.847 64 E CB -0.474 29.188 29.700 -0.064 0.000 0.755 64 E HN 0.746 nan 8.360 nan 0.000 0.459 65 I N -1.274 119.229 120.570 -0.111 0.000 3.735 65 I HA 0.165 4.337 4.170 0.004 0.000 0.310 65 I C -0.176 175.891 176.117 -0.082 0.000 1.270 65 I CA -0.351 60.883 61.300 -0.111 0.000 1.207 65 I CB 0.521 38.408 38.000 -0.189 0.000 1.013 65 I HN -0.182 nan 8.210 nan 0.000 0.452 66 V N 5.253 125.084 119.914 -0.138 0.000 2.389 66 V HA 0.197 4.319 4.120 0.004 0.000 0.264 66 V C -0.836 174.977 176.094 -0.469 0.000 1.049 66 V CA -0.948 61.128 62.300 -0.373 0.000 0.932 66 V CB 0.735 32.229 31.823 -0.548 0.000 1.011 66 V HN 0.221 nan 8.190 nan 0.000 0.475 67 P HA -0.134 nan 4.420 nan 0.000 0.219 67 P C 0.871 178.095 177.300 -0.127 0.000 1.146 67 P CA 1.399 64.400 63.100 -0.165 0.000 0.808 67 P CB 0.055 31.746 31.700 -0.015 0.000 0.779 68 F N -3.008 116.865 119.950 -0.128 0.000 2.639 68 F HA 0.714 5.243 4.527 0.003 0.000 0.302 68 F C 1.856 177.530 175.800 -0.209 0.000 1.097 68 F CA -0.731 57.187 58.000 -0.137 0.000 1.294 68 F CB -1.387 37.480 39.000 -0.221 0.000 1.027 68 F HN -0.188 nan 8.300 nan 0.000 0.550 69 A N 0.677 123.296 122.820 -0.335 0.000 1.997 69 A HA -0.236 4.086 4.320 0.004 0.000 0.221 69 A C 1.916 179.645 177.584 0.242 0.000 1.172 69 A CA 2.172 54.142 52.037 -0.113 0.000 0.645 69 A CB -0.554 18.397 19.000 -0.082 0.000 0.813 69 A HN 0.466 nan 8.150 nan 0.000 0.454 70 E N -1.410 118.897 120.200 0.180 0.000 2.538 70 E HA 0.093 4.445 4.350 0.004 0.000 0.207 70 E C 0.150 176.875 176.600 0.209 0.000 1.002 70 E CA -0.305 56.209 56.400 0.189 0.000 0.952 70 E CB -0.044 29.716 29.700 0.100 0.000 1.031 70 E HN 0.610 nan 8.360 nan 0.000 0.476 71 H N 0.647 119.836 119.070 0.199 0.000 3.004 71 H HA -0.000 4.558 4.556 0.004 0.000 0.316 71 H C -1.797 173.649 175.328 0.195 0.000 1.014 71 H CA -1.223 54.934 56.048 0.182 0.000 1.454 71 H CB 1.279 31.157 29.762 0.192 0.000 1.472 71 H HN 0.012 nan 8.280 nan 0.000 0.571 72 P HA -0.113 nan 4.420 nan 0.000 0.221 72 P C 1.620 179.068 177.300 0.247 0.000 1.145 72 P CA 0.894 64.086 63.100 0.153 0.000 0.795 72 P CB 0.264 31.985 31.700 0.034 0.000 0.775 73 L N -2.994 118.500 121.223 0.453 0.000 2.240 73 L HA -0.039 4.303 4.340 0.004 0.000 0.211 73 L C 2.220 179.217 176.870 0.213 0.000 1.106 73 L CA 0.916 55.910 54.840 0.256 0.000 0.793 73 L CB -0.572 41.584 42.059 0.162 0.000 0.927 73 L HN -0.036 nan 8.230 nan 0.000 0.446 74 F N 0.693 120.727 119.950 0.140 0.000 2.206 74 F HA -0.145 4.384 4.527 0.003 0.000 0.298 74 F C 2.130 177.996 175.800 0.111 0.000 1.090 74 F CA 1.148 59.222 58.000 0.123 0.000 1.323 74 F CB 0.165 39.319 39.000 0.257 0.000 1.028 74 F HN -0.099 nan 8.300 nan 0.000 0.492 75 L N -0.239 121.067 121.223 0.138 0.000 2.217 75 L HA -0.081 4.262 4.340 0.004 0.000 0.211 75 L C 2.652 179.502 176.870 -0.034 0.000 1.107 75 L CA 0.809 55.656 54.840 0.012 0.000 0.783 75 L CB -1.040 41.073 42.059 0.090 0.000 0.919 75 L HN 0.167 nan 8.230 nan 0.000 0.442 76 A N 0.437 123.259 122.820 0.005 0.000 2.066 76 A HA 0.177 4.499 4.320 0.004 0.000 0.218 76 A C 1.565 179.117 177.584 -0.054 0.000 1.157 76 A CA 0.794 52.826 52.037 -0.009 0.000 0.670 76 A CB -0.462 18.553 19.000 0.024 0.000 0.804 76 A HN 0.322 nan 8.150 nan 0.000 0.453 77 A N 0.361 123.114 122.820 -0.111 0.000 2.386 77 A HA 0.404 4.726 4.320 0.004 0.000 0.246 77 A C 0.160 177.644 177.584 -0.165 0.000 1.089 77 A CA -0.390 51.554 52.037 -0.154 0.000 0.790 77 A CB 0.098 18.962 19.000 -0.227 0.000 1.042 77 A HN 0.393 nan 8.150 nan 0.000 0.497 78 E N 0.687 120.787 120.200 -0.166 0.000 2.392 78 E HA 0.091 4.443 4.350 0.004 0.000 0.264 78 E C -1.642 174.856 176.600 -0.170 0.000 1.024 78 E CA -1.632 54.689 56.400 -0.133 0.000 0.903 78 E CB -0.042 29.592 29.700 -0.110 0.000 0.963 78 E HN 0.309 nan 8.360 nan 0.000 0.432 79 P HA -0.215 nan 4.420 nan 0.000 0.216 79 P C 1.089 178.385 177.300 -0.006 0.000 1.154 79 P CA 1.869 64.947 63.100 -0.035 0.000 0.865 79 P CB -0.033 31.683 31.700 0.026 0.000 0.789 80 H N -1.597 117.461 119.070 -0.019 0.000 2.462 80 H HA 0.006 4.564 4.556 0.003 0.000 0.292 80 H C 1.851 177.185 175.328 0.010 0.000 1.049 80 H CA 0.834 56.884 56.048 0.004 0.000 1.334 80 H CB -1.051 28.717 29.762 0.011 0.000 1.404 80 H HN 0.164 nan 8.280 nan 0.000 0.544 81 Q N 0.800 120.260 119.800 -0.566 0.000 2.050 81 Q HA -0.081 4.261 4.340 0.004 0.000 0.202 81 Q C 2.365 178.293 176.000 -0.121 0.000 0.980 81 Q CA 1.345 56.947 55.803 -0.334 0.000 0.840 81 Q CB -0.042 28.483 28.738 -0.356 0.000 0.898 81 Q HN 0.530 nan 8.270 nan 0.000 0.424 82 R N 0.351 120.745 120.500 -0.175 0.000 2.091 82 R HA -0.154 4.188 4.340 0.004 0.000 0.238 82 R C 2.321 178.694 176.300 0.122 0.000 1.136 82 R CA 1.156 57.198 56.100 -0.096 0.000 0.959 82 R CB -0.172 29.933 30.300 -0.325 0.000 0.856 82 R HN 0.286 nan 8.270 nan 0.000 0.437 83 Q N 0.464 120.309 119.800 0.075 0.000 2.084 83 Q HA -0.114 4.228 4.340 0.004 0.000 0.202 83 Q C 2.087 178.170 176.000 0.138 0.000 0.978 83 Q CA 1.377 57.252 55.803 0.120 0.000 0.844 83 Q CB -0.233 28.569 28.738 0.107 0.000 0.898 83 Q HN 0.354 nan 8.270 nan 0.000 0.426 84 R N -0.188 120.380 120.500 0.113 0.000 2.096 84 R HA -0.086 4.256 4.340 0.004 0.000 0.235 84 R C 2.374 178.751 176.300 0.128 0.000 1.127 84 R CA 1.204 57.373 56.100 0.115 0.000 0.968 84 R CB -0.335 30.015 30.300 0.083 0.000 0.861 84 R HN 0.088 nan 8.270 nan 0.000 0.440 85 V N 1.648 121.659 119.914 0.162 0.000 2.295 85 V HA -0.236 3.886 4.120 0.004 0.000 0.246 85 V C 2.406 178.595 176.094 0.159 0.000 1.049 85 V CA 1.619 64.041 62.300 0.204 0.000 1.024 85 V CB -0.444 31.617 31.823 0.397 0.000 0.648 85 V HN 0.283 nan 8.190 nan 0.000 0.447 86 L N -0.301 121.039 121.223 0.196 0.000 2.013 86 L HA -0.249 4.094 4.340 0.004 0.000 0.212 86 L C 2.624 179.583 176.870 0.148 0.000 1.073 86 L CA 2.229 57.163 54.840 0.157 0.000 0.753 86 L CB -1.064 41.134 42.059 0.231 0.000 0.890 86 L HN 0.361 nan 8.230 nan 0.000 0.432 87 T N -0.561 114.107 114.554 0.191 0.000 2.777 87 T HA -0.106 4.246 4.350 0.004 0.000 0.266 87 T C 1.775 176.605 174.700 0.216 0.000 1.040 87 T CA 1.280 63.532 62.100 0.254 0.000 1.141 87 T CB -0.455 68.551 68.868 0.230 0.000 0.868 87 T HN 0.577 nan 8.240 nan 0.000 0.444 88 G N 0.816 109.689 108.800 0.121 0.000 2.432 88 G HA2 -0.159 3.803 3.960 0.004 0.000 0.219 88 G HA3 -0.159 3.803 3.960 0.004 0.000 0.219 88 G C 1.538 176.444 174.900 0.010 0.000 1.135 88 G CA 0.490 45.630 45.100 0.066 0.000 0.767 88 G HN 0.402 nan 8.290 nan 0.000 0.550 89 M N -0.770 118.782 119.600 -0.080 0.000 2.200 89 M HA 0.082 4.564 4.480 0.004 0.000 0.265 89 M C 2.284 178.508 176.300 -0.128 0.000 1.066 89 M CA 0.914 56.052 55.300 -0.269 0.000 1.127 89 M CB -0.222 31.933 32.600 -0.743 0.000 1.379 89 M HN 0.537 nan 8.290 nan 0.000 0.420 90 W N 1.600 122.819 121.300 -0.135 0.000 2.354 90 W HA -0.225 4.437 4.660 0.003 0.000 0.315 90 W C 1.694 178.305 176.519 0.153 0.000 1.206 90 W CA 1.544 58.992 57.345 0.173 0.000 1.290 90 W CB -0.383 29.200 29.460 0.204 0.000 1.152 90 W HN 0.124 nan 8.180 nan 0.000 0.489 91 I N 1.458 121.956 120.570 -0.120 0.000 2.142 91 I HA -0.237 3.935 4.170 0.004 0.000 0.240 91 I C 2.880 178.875 176.117 -0.203 0.000 1.078 91 I CA 1.771 62.922 61.300 -0.248 0.000 1.343 91 I CB -1.407 36.555 38.000 -0.063 0.000 1.046 91 I HN 0.071 nan 8.210 nan 0.000 0.405 92 G N 0.434 109.176 108.800 -0.097 0.000 2.574 92 G HA2 -0.398 3.564 3.960 0.004 0.000 0.220 92 G HA3 -0.398 3.564 3.960 0.004 0.000 0.220 92 G C 1.634 176.479 174.900 -0.092 0.000 1.173 92 G CA 1.456 46.510 45.100 -0.077 0.000 0.772 92 G HN 0.443 nan 8.290 nan 0.000 0.585 93 Y N 2.207 122.426 120.300 -0.136 0.000 2.102 93 Y HA -0.247 4.306 4.550 0.004 0.000 0.280 93 Y C 2.680 178.448 175.900 -0.221 0.000 1.178 93 Y CA 2.345 60.374 58.100 -0.117 0.000 1.146 93 Y CB -0.496 37.971 38.460 0.011 0.000 0.968 93 Y HN 0.203 nan 8.280 nan 0.000 0.504 94 N N 0.416 118.759 118.700 -0.596 0.000 2.120 94 N HA -0.183 4.560 4.740 0.004 0.000 0.188 94 N C 1.713 176.960 175.510 -0.438 0.000 1.024 94 N CA 1.800 54.488 53.050 -0.605 0.000 0.852 94 N CB -0.290 37.893 38.487 -0.508 0.000 1.003 94 N HN 0.619 nan 8.380 nan 0.000 0.424 95 E N 0.721 120.733 120.200 -0.313 0.000 2.077 95 E HA -0.089 4.263 4.350 0.004 0.000 0.193 95 E C 2.076 178.541 176.600 -0.224 0.000 0.989 95 E CA 0.839 57.108 56.400 -0.218 0.000 0.800 95 E CB 0.050 29.657 29.700 -0.155 0.000 0.746 95 E HN 0.295 nan 8.360 nan 0.000 0.452 96 R N 0.205 120.554 120.500 -0.252 0.000 2.115 96 R HA -0.050 4.292 4.340 0.004 0.000 0.226 96 R C 2.397 178.545 176.300 -0.253 0.000 1.100 96 R CA 0.688 56.664 56.100 -0.206 0.000 0.980 96 R CB -0.158 30.052 30.300 -0.149 0.000 0.875 96 R HN 0.054 nan 8.270 nan 0.000 0.445 97 V N 1.580 121.232 119.914 -0.437 0.000 2.261 97 V HA -0.261 3.861 4.120 0.004 0.000 0.246 97 V C 2.259 178.195 176.094 -0.262 0.000 1.047 97 V CA 1.818 63.846 62.300 -0.454 0.000 1.015 97 V CB -0.356 30.918 31.823 -0.915 0.000 0.642 97 V HN 0.239 nan 8.190 nan 0.000 0.446 98 I N 0.368 120.784 120.570 -0.256 0.000 2.179 98 I HA -0.255 3.917 4.170 0.004 0.000 0.242 98 I C 2.684 178.740 176.117 -0.102 0.000 1.088 98 I CA 1.573 62.797 61.300 -0.127 0.000 1.357 98 I CB -0.651 37.283 38.000 -0.110 0.000 1.051 98 I HN 0.285 nan 8.210 nan 0.000 0.409 99 A N 0.272 123.015 122.820 -0.129 0.000 1.908 99 A HA -0.239 4.083 4.320 0.004 0.000 0.218 99 A C 2.395 179.916 177.584 -0.106 0.000 1.181 99 A CA 2.646 54.604 52.037 -0.132 0.000 0.627 99 A CB -1.189 17.729 19.000 -0.136 0.000 0.818 99 A HN 0.409 nan 8.150 nan 0.000 0.445 100 T N -0.030 114.487 114.554 -0.060 0.000 2.708 100 T HA -0.122 4.231 4.350 0.004 0.000 0.266 100 T C 1.821 176.545 174.700 0.040 0.000 1.037 100 T CA 1.453 63.567 62.100 0.024 0.000 1.146 100 T CB -0.273 68.634 68.868 0.066 0.000 0.865 100 T HN 0.567 nan 8.240 nan 0.000 0.435 101 E N 1.446 121.666 120.200 0.033 0.000 2.038 101 E HA -0.175 4.177 4.350 0.004 0.000 0.195 101 E C 2.424 179.043 176.600 0.031 0.000 1.000 101 E CA 1.200 57.642 56.400 0.070 0.000 0.803 101 E CB -0.270 29.500 29.700 0.116 0.000 0.750 101 E HN 0.611 nan 8.360 nan 0.000 0.448 102 Q N -0.004 119.789 119.800 -0.011 0.000 2.167 102 Q HA -0.037 4.305 4.340 0.004 0.000 0.202 102 Q C 2.249 178.200 176.000 -0.082 0.000 0.970 102 Q CA 0.826 56.605 55.803 -0.039 0.000 0.855 102 Q CB 0.102 28.802 28.738 -0.063 0.000 0.911 102 Q HN 0.253 nan 8.270 nan 0.000 0.438 103 L N -0.991 120.154 121.223 -0.132 0.000 2.515 103 L HA 0.123 4.465 4.340 0.004 0.000 0.223 103 L C 1.622 178.469 176.870 -0.039 0.000 1.079 103 L CA 0.317 55.016 54.840 -0.236 0.000 0.857 103 L CB 0.368 42.046 42.059 -0.635 0.000 1.050 103 L HN 0.167 nan 8.230 nan 0.000 0.476 104 I N -1.856 118.737 120.570 0.039 0.000 3.746 104 I HA 0.134 4.307 4.170 0.004 0.000 0.262 104 I C 2.357 178.507 176.117 0.055 0.000 1.153 104 I CA 0.674 62.063 61.300 0.148 0.000 1.395 104 I CB -0.152 38.046 38.000 0.330 0.000 1.589 104 I HN -0.046 nan 8.210 nan 0.000 0.441 105 A N 1.089 123.905 122.820 -0.006 0.000 1.854 105 A HA -0.144 4.178 4.320 0.004 0.000 0.214 105 A C 2.097 179.515 177.584 -0.277 0.000 1.192 105 A CA 1.651 53.574 52.037 -0.190 0.000 0.611 105 A CB -0.620 18.314 19.000 -0.110 0.000 0.832 105 A HN 0.388 nan 8.150 nan 0.000 0.442 106 E N -0.429 119.736 120.200 -0.057 0.000 2.077 106 E HA -0.139 4.213 4.350 0.004 0.000 0.193 106 E C -0.607 176.012 176.600 0.032 0.000 0.989 106 E CA 1.412 57.845 56.400 0.054 0.000 0.800 106 E CB -0.897 28.861 29.700 0.096 0.000 0.746 106 E HN 0.461 nan 8.360 nan 0.000 0.452 107 P HA -0.172 nan 4.420 nan 0.000 0.218 107 P C 0.950 178.266 177.300 0.026 0.000 1.148 107 P CA 1.706 64.811 63.100 0.009 0.000 0.822 107 P CB 0.044 31.751 31.700 0.012 0.000 0.784 108 A N -1.372 121.437 122.820 -0.018 0.000 1.897 108 A HA -0.156 4.166 4.320 0.004 0.000 0.215 108 A C 1.852 179.493 177.584 0.095 0.000 1.181 108 A CA 1.250 53.293 52.037 0.010 0.000 0.620 108 A CB -1.673 17.262 19.000 -0.108 0.000 0.821 108 A HN 0.031 nan 8.150 nan 0.000 0.443 109 F N 0.962 120.943 119.950 0.052 0.000 2.171 109 F HA -0.133 4.396 4.527 0.003 0.000 0.300 109 F C 1.961 177.783 175.800 0.038 0.000 1.090 109 F CA 1.236 59.253 58.000 0.028 0.000 1.293 109 F CB -0.863 38.126 39.000 -0.017 0.000 1.013 109 F HN 0.219 nan 8.300 nan 0.000 0.486 110 D N -0.027 120.493 120.400 0.199 0.000 2.178 110 D HA -0.113 4.530 4.640 0.004 0.000 0.202 110 D C 2.522 178.860 176.300 0.063 0.000 0.974 110 D CA 0.806 54.860 54.000 0.089 0.000 0.841 110 D CB -0.384 40.409 40.800 -0.012 0.000 0.953 110 D HN 0.226 nan 8.370 nan 0.000 0.478 111 L N 0.040 121.320 121.223 0.096 0.000 2.056 111 L HA -0.117 4.225 4.340 0.004 0.000 0.207 111 L C 2.443 179.429 176.870 0.193 0.000 1.078 111 L CA 0.479 55.379 54.840 0.101 0.000 0.749 111 L CB -0.258 41.892 42.059 0.152 0.000 0.901 111 L HN -0.052 nan 8.230 nan 0.000 0.433 112 V N -0.297 119.793 119.914 0.294 0.000 2.287 112 V HA -0.327 3.795 4.120 0.004 0.000 0.248 112 V C 2.580 178.794 176.094 0.200 0.000 1.053 112 V CA 1.650 64.135 62.300 0.308 0.000 1.027 112 V CB -0.434 31.557 31.823 0.279 0.000 0.646 112 V HN 0.395 nan 8.190 nan 0.000 0.447 113 M N -0.894 118.812 119.600 0.175 0.000 2.296 113 M HA -0.125 4.357 4.480 0.004 0.000 0.265 113 M C 1.987 178.386 176.300 0.164 0.000 1.064 113 M CA 1.575 56.959 55.300 0.139 0.000 1.109 113 M CB -1.428 31.248 32.600 0.127 0.000 1.396 113 M HN 0.404 nan 8.290 nan 0.000 0.430 114 H N 0.135 119.219 119.070 0.024 0.000 2.555 114 H HA 0.203 4.761 4.556 0.003 0.000 0.269 114 H C 1.358 176.673 175.328 -0.021 0.000 0.988 114 H CA 0.725 56.770 56.048 -0.005 0.000 1.178 114 H CB -0.332 29.419 29.762 -0.019 0.000 1.373 114 H HN 0.575 nan 8.280 nan 0.000 0.588 115 G N 0.021 108.864 108.800 0.072 0.000 2.160 115 G HA2 -0.300 3.662 3.960 0.004 0.000 0.251 115 G HA3 -0.300 3.662 3.960 0.004 0.000 0.251 115 G C 1.290 176.178 174.900 -0.021 0.000 1.008 115 G CA 0.615 45.732 45.100 0.028 0.000 0.724 115 G HN 0.446 nan 8.290 nan 0.000 0.514 116 V N -0.817 119.028 119.914 -0.117 0.000 2.970 116 V HA 0.350 4.473 4.120 0.004 0.000 0.260 116 V C 0.880 176.760 176.094 -0.355 0.000 1.100 116 V CA 1.109 63.241 62.300 -0.280 0.000 1.122 116 V CB -0.388 31.176 31.823 -0.433 0.000 0.721 116 V HN 0.306 nan 8.190 nan 0.000 0.483 117 F N 2.038 122.036 119.950 0.081 0.000 2.421 117 F HA 0.554 5.083 4.527 0.003 0.000 0.337 117 F C -1.959 173.870 175.800 0.049 0.000 1.105 117 F CA -3.585 54.458 58.000 0.072 0.000 1.049 117 F CB 0.502 39.553 39.000 0.084 0.000 1.139 117 F HN -0.058 nan 8.300 nan 0.000 0.479 118 P HA 0.159 nan 4.420 nan 0.000 0.268 118 P C 0.762 178.132 177.300 0.116 0.000 1.204 118 P CA 0.661 63.832 63.100 0.117 0.000 0.768 118 P CB 0.840 32.586 31.700 0.077 0.000 0.842 119 G N 2.534 111.383 108.800 0.081 0.000 2.199 119 G HA2 -0.323 3.639 3.960 0.004 0.000 0.254 119 G HA3 -0.323 3.639 3.960 0.004 0.000 0.254 119 G C 1.055 176.004 174.900 0.080 0.000 0.982 119 G CA 0.510 45.651 45.100 0.068 0.000 0.632 119 G HN 0.677 nan 8.290 nan 0.000 0.529 120 S N 0.885 116.655 115.700 0.117 0.000 2.607 120 S HA 0.093 4.565 4.470 0.004 0.000 0.224 120 S C 1.624 176.271 174.600 0.077 0.000 0.969 120 S CA 1.397 59.672 58.200 0.125 0.000 0.927 120 S CB -0.125 63.202 63.200 0.212 0.000 0.772 120 S HN 0.659 nan 8.310 nan 0.000 0.533 121 D N 0.844 121.276 120.400 0.054 0.000 2.355 121 D HA 0.038 4.680 4.640 0.004 0.000 0.218 121 D C 0.159 176.469 176.300 0.018 0.000 1.004 121 D CA -0.159 53.858 54.000 0.028 0.000 0.880 121 D CB -0.943 39.867 40.800 0.017 0.000 0.911 121 D HN 0.472 nan 8.370 nan 0.000 0.528 122 D N 0.886 121.300 120.400 0.023 0.000 2.531 122 D HA -0.010 4.632 4.640 0.004 0.000 0.239 122 D C -1.471 174.831 176.300 0.003 0.000 1.144 122 D CA -1.057 52.951 54.000 0.014 0.000 0.869 122 D CB 1.322 42.134 40.800 0.020 0.000 1.160 122 D HN -0.109 nan 8.370 nan 0.000 0.484 123 P HA -0.115 nan 4.420 nan 0.000 0.218 123 P C 1.229 178.516 177.300 -0.021 0.000 1.149 123 P CA 0.370 63.462 63.100 -0.014 0.000 0.817 123 P CB 0.147 31.840 31.700 -0.012 0.000 0.785 124 L N -0.982 120.233 121.223 -0.014 0.000 2.072 124 L HA -0.052 4.291 4.340 0.004 0.000 0.205 124 L C 2.175 179.029 176.870 -0.026 0.000 1.079 124 L CA 1.543 56.372 54.840 -0.019 0.000 0.752 124 L CB -0.992 41.063 42.059 -0.006 0.000 0.906 124 L HN -0.145 nan 8.230 nan 0.000 0.436 125 I N -0.706 119.857 120.570 -0.012 0.000 2.163 125 I HA -0.342 3.830 4.170 0.004 0.000 0.243 125 I C 2.606 178.702 176.117 -0.035 0.000 1.085 125 I CA 1.356 62.650 61.300 -0.010 0.000 1.347 125 I CB -0.306 37.706 38.000 0.020 0.000 1.044 125 I HN 0.246 nan 8.210 nan 0.000 0.408 126 R N 0.747 121.229 120.500 -0.031 0.000 2.091 126 R HA -0.172 4.170 4.340 0.004 0.000 0.238 126 R C 2.316 178.553 176.300 -0.105 0.000 1.136 126 R CA 1.343 57.412 56.100 -0.052 0.000 0.959 126 R CB -0.225 30.054 30.300 -0.034 0.000 0.856 126 R HN 0.348 nan 8.270 nan 0.000 0.437 127 K N 0.186 120.523 120.400 -0.105 0.000 2.026 127 K HA -0.124 4.199 4.320 0.004 0.000 0.208 127 K C 2.352 178.815 176.600 -0.228 0.000 1.048 127 K CA 1.831 58.025 56.287 -0.155 0.000 0.929 127 K CB -0.127 32.307 32.500 -0.111 0.000 0.713 127 K HN 0.208 nan 8.250 nan 0.000 0.439 128 S N 0.485 116.078 115.700 -0.178 0.000 2.383 128 S HA -0.091 4.381 4.470 0.004 0.000 0.227 128 S C 2.138 176.551 174.600 -0.313 0.000 1.026 128 S CA 1.087 59.165 58.200 -0.204 0.000 0.981 128 S CB -0.452 62.682 63.200 -0.108 0.000 0.818 128 S HN 0.020 nan 8.310 nan 0.000 0.472 129 V N 1.641 121.383 119.914 -0.288 0.000 2.407 129 V HA -0.062 4.060 4.120 0.004 0.000 0.245 129 V C 2.932 178.750 176.094 -0.460 0.000 1.041 129 V CA 1.888 63.937 62.300 -0.418 0.000 1.040 129 V CB -0.947 30.746 31.823 -0.216 0.000 0.671 129 V HN 0.459 nan 8.190 nan 0.000 0.455 130 Q N 0.341 119.949 119.800 -0.321 0.000 2.084 130 Q HA -0.233 4.110 4.340 0.004 0.000 0.202 130 Q C 2.205 177.946 176.000 -0.430 0.000 0.978 130 Q CA 1.857 57.479 55.803 -0.301 0.000 0.844 130 Q CB -0.381 28.226 28.738 -0.219 0.000 0.898 130 Q HN 0.676 nan 8.270 nan 0.000 0.426 131 Q N -0.796 118.636 119.800 -0.615 0.000 2.112 131 Q HA -0.206 4.136 4.340 0.004 0.000 0.206 131 Q C 1.983 177.654 176.000 -0.548 0.000 0.987 131 Q CA 1.655 56.881 55.803 -0.963 0.000 0.858 131 Q CB -0.336 27.557 28.738 -1.408 0.000 0.905 131 Q HN 0.526 nan 8.270 nan 0.000 0.420 132 A N 0.518 123.004 122.820 -0.556 0.000 1.969 132 A HA -0.136 4.186 4.320 0.004 0.000 0.218 132 A C 1.993 179.308 177.584 -0.448 0.000 1.169 132 A CA 0.914 52.557 52.037 -0.656 0.000 0.635 132 A CB -0.495 17.675 19.000 -1.383 0.000 0.810 132 A HN 0.309 nan 8.150 nan 0.000 0.445 133 I N -0.351 119.981 120.570 -0.396 0.000 2.226 133 I HA -0.223 3.949 4.170 0.004 0.000 0.245 133 I C 2.338 178.427 176.117 -0.047 0.000 1.100 133 I CA 1.140 62.359 61.300 -0.134 0.000 1.374 133 I CB -0.343 37.597 38.000 -0.100 0.000 1.057 133 I HN 0.157 nan 8.210 nan 0.000 0.413 134 V N 0.952 120.827 119.914 -0.065 0.000 2.287 134 V HA -0.322 3.800 4.120 0.004 0.000 0.248 134 V C 2.122 178.276 176.094 0.100 0.000 1.053 134 V CA 2.114 64.442 62.300 0.047 0.000 1.027 134 V CB -0.753 31.136 31.823 0.110 0.000 0.646 134 V HN 0.419 nan 8.190 nan 0.000 0.447 135 D N -0.182 120.281 120.400 0.105 0.000 2.092 135 D HA -0.158 4.484 4.640 0.004 0.000 0.193 135 D C 2.232 178.288 176.300 -0.408 0.000 0.994 135 D CA 1.282 55.270 54.000 -0.021 0.000 0.828 135 D CB -0.325 40.590 40.800 0.191 0.000 0.963 135 D HN 0.438 nan 8.370 nan 0.000 0.450 136 E N 0.779 120.889 120.200 -0.150 0.000 2.110 136 E HA -0.092 4.260 4.350 0.004 0.000 0.193 136 E C 2.227 178.859 176.600 0.054 0.000 0.988 136 E CA 0.451 56.852 56.400 0.002 0.000 0.804 136 E CB -0.384 29.442 29.700 0.210 0.000 0.745 136 E HN 0.128 nan 8.360 nan 0.000 0.458 137 S N 0.690 116.431 115.700 0.068 0.000 2.370 137 S HA -0.143 4.329 4.470 0.004 0.000 0.226 137 S C 1.632 176.336 174.600 0.173 0.000 1.033 137 S CA 1.018 59.283 58.200 0.109 0.000 1.011 137 S CB -0.342 62.915 63.200 0.096 0.000 0.852 137 S HN 0.272 nan 8.310 nan 0.000 0.457 138 F N 1.817 121.780 119.950 0.023 0.000 2.259 138 F HA -0.026 4.502 4.527 0.001 0.000 0.298 138 F C 2.035 177.977 175.800 0.236 0.000 1.088 138 F CA 1.262 59.331 58.000 0.115 0.000 1.358 138 F CB -0.494 38.552 39.000 0.077 0.000 1.040 138 F HN 0.342 nan 8.300 nan 0.000 0.505 139 H N -1.474 117.636 119.070 0.068 0.000 2.321 139 H HA -0.158 4.400 4.556 0.004 0.000 0.300 139 H C 2.147 177.494 175.328 0.033 0.000 1.087 139 H CA 1.486 57.480 56.048 -0.090 0.000 1.319 139 H CB -0.487 29.145 29.762 -0.217 0.000 1.379 139 H HN 0.165 nan 8.280 nan 0.000 0.501 140 T N 0.536 115.203 114.554 0.188 0.000 2.684 140 T HA -0.260 4.093 4.350 0.004 0.000 0.267 140 T C 1.718 176.468 174.700 0.084 0.000 1.036 140 T CA 1.660 63.837 62.100 0.128 0.000 1.148 140 T CB -0.574 68.355 68.868 0.101 0.000 0.863 140 T HN 0.380 nan 8.240 nan 0.000 0.436 141 Y N 1.562 121.816 120.300 -0.077 0.000 2.097 141 Y HA -0.184 4.367 4.550 0.002 0.000 0.282 141 Y C 2.347 178.120 175.900 -0.211 0.000 1.152 141 Y CA 1.469 59.487 58.100 -0.137 0.000 1.136 141 Y CB -0.456 37.918 38.460 -0.143 0.000 0.975 141 Y HN 0.131 nan 8.280 nan 0.000 0.498 142 M N -0.815 118.526 119.600 -0.432 0.000 2.080 142 M HA -0.282 4.200 4.480 0.004 0.000 0.260 142 M C 2.186 178.274 176.300 -0.353 0.000 1.068 142 M CA 1.875 56.883 55.300 -0.487 0.000 1.109 142 M CB -0.766 31.540 32.600 -0.489 0.000 1.342 142 M HN 0.411 nan 8.290 nan 0.000 0.405 143 H N -0.484 118.497 119.070 -0.149 0.000 2.389 143 H HA -0.121 4.437 4.556 0.003 0.000 0.299 143 H C 2.051 177.271 175.328 -0.180 0.000 1.081 143 H CA 1.742 57.705 56.048 -0.141 0.000 1.345 143 H CB -0.390 29.284 29.762 -0.147 0.000 1.393 143 H HN 0.484 nan 8.280 nan 0.000 0.520 144 M N 0.630 120.177 119.600 -0.088 0.000 2.132 144 M HA -0.119 4.364 4.480 0.004 0.000 0.263 144 M C 1.862 178.038 176.300 -0.205 0.000 1.065 144 M CA 1.320 56.542 55.300 -0.130 0.000 1.122 144 M CB -0.066 32.473 32.600 -0.101 0.000 1.365 144 M HN 0.113 nan 8.290 nan 0.000 0.411 145 L N 0.535 121.567 121.223 -0.318 0.000 2.046 145 L HA -0.168 4.174 4.340 0.004 0.000 0.208 145 L C 2.904 179.567 176.870 -0.344 0.000 1.077 145 L CA 1.353 55.951 54.840 -0.404 0.000 0.747 145 L CB -1.306 40.434 42.059 -0.531 0.000 0.896 145 L HN 0.473 nan 8.230 nan 0.000 0.432 146 A N 0.595 123.358 122.820 -0.096 0.000 1.892 146 A HA -0.224 4.099 4.320 0.004 0.000 0.218 146 A C 2.189 179.817 177.584 0.073 0.000 1.188 146 A CA 1.785 53.945 52.037 0.204 0.000 0.631 146 A CB -0.659 18.492 19.000 0.251 0.000 0.822 146 A HN 0.362 nan 8.150 nan 0.000 0.447 147 I N -0.364 120.153 120.570 -0.088 0.000 2.163 147 I HA -0.218 3.954 4.170 0.004 0.000 0.240 147 I C 1.957 178.020 176.117 -0.090 0.000 1.081 147 I CA 1.526 62.766 61.300 -0.100 0.000 1.353 147 I CB -0.567 37.352 38.000 -0.134 0.000 1.054 147 I HN 0.237 nan 8.210 nan 0.000 0.407 148 D N 0.685 120.993 120.400 -0.154 0.000 2.123 148 D HA -0.144 4.498 4.640 0.004 0.000 0.196 148 D C 2.350 178.512 176.300 -0.231 0.000 0.992 148 D CA 1.067 54.961 54.000 -0.177 0.000 0.833 148 D CB -0.232 40.453 40.800 -0.192 0.000 0.954 148 D HN 0.180 nan 8.370 nan 0.000 0.455 149 R N 0.192 120.465 120.500 -0.379 0.000 2.073 149 R HA 0.029 4.371 4.340 0.004 0.000 0.229 149 R C 2.324 178.502 176.300 -0.204 0.000 1.120 149 R CA 0.774 56.550 56.100 -0.539 0.000 0.967 149 R CB -1.317 28.108 30.300 -1.458 0.000 0.862 149 R HN 0.215 nan 8.270 nan 0.000 0.436 150 T N 1.328 115.921 114.554 0.066 0.000 2.684 150 T HA -0.125 4.227 4.350 0.004 0.000 0.267 150 T C 1.973 176.740 174.700 0.112 0.000 1.036 150 T CA 1.354 63.600 62.100 0.242 0.000 1.148 150 T CB -0.121 69.028 68.868 0.469 0.000 0.863 150 T HN 0.273 nan 8.240 nan 0.000 0.436 151 R N 0.619 121.144 120.500 0.043 0.000 2.083 151 R HA -0.094 4.248 4.340 0.004 0.000 0.237 151 R C 2.654 178.948 176.300 -0.010 0.000 1.137 151 R CA 1.585 57.696 56.100 0.018 0.000 0.951 151 R CB -0.237 30.055 30.300 -0.013 0.000 0.851 151 R HN 0.554 nan 8.270 nan 0.000 0.434 152 E N 0.834 120.998 120.200 -0.061 0.000 2.051 152 E HA -0.187 4.165 4.350 0.004 0.000 0.192 152 E C 1.933 178.495 176.600 -0.063 0.000 0.991 152 E CA 1.077 57.433 56.400 -0.074 0.000 0.799 152 E CB 0.017 29.645 29.700 -0.120 0.000 0.748 152 E HN 0.272 nan 8.360 nan 0.000 0.449 153 L N 0.144 121.303 121.223 -0.106 0.000 2.217 153 L HA -0.038 4.304 4.340 0.004 0.000 0.211 153 L C 2.281 179.180 176.870 0.047 0.000 1.107 153 L CA 0.519 55.282 54.840 -0.128 0.000 0.783 153 L CB -0.067 41.682 42.059 -0.517 0.000 0.919 153 L HN 0.001 nan 8.230 nan 0.000 0.442 154 R N 0.588 121.143 120.500 0.090 0.000 2.317 154 R HA 0.091 4.433 4.340 0.004 0.000 0.208 154 R C -0.035 176.321 176.300 0.094 0.000 0.914 154 R CA -0.080 56.103 56.100 0.138 0.000 1.060 154 R CB -0.088 30.320 30.300 0.180 0.000 1.015 154 R HN 0.239 nan 8.270 nan 0.000 0.498 155 K N 1.022 121.457 120.400 0.059 0.000 3.419 155 K HA -0.164 4.158 4.320 0.004 0.000 0.272 155 K C -0.573 176.053 176.600 0.044 0.000 0.973 155 K CA 0.521 56.833 56.287 0.041 0.000 0.749 155 K CB -1.624 30.901 32.500 0.041 0.000 1.403 155 K HN 0.223 nan 8.250 nan 0.000 0.456 156 I N 1.232 121.827 120.570 0.042 0.000 2.307 156 I HA 0.000 4.172 4.170 0.004 0.000 0.289 156 I C 1.562 177.691 176.117 0.020 0.000 1.021 156 I CA -0.092 61.231 61.300 0.040 0.000 1.224 156 I CB 1.537 39.568 38.000 0.052 0.000 1.376 156 I HN 0.397 nan 8.210 nan 0.000 0.470 157 S N 5.066 120.776 115.700 0.017 0.000 2.387 157 S HA 0.173 4.645 4.470 0.004 0.000 0.221 157 S C 0.657 175.259 174.600 0.002 0.000 1.041 157 S CA 0.522 58.726 58.200 0.007 0.000 0.959 157 S CB 0.270 63.475 63.200 0.008 0.000 0.843 157 S HN 0.658 nan 8.310 nan 0.000 0.488 158 E N 1.161 121.364 120.200 0.006 0.000 2.361 158 E HA 0.263 4.615 4.350 0.004 0.000 0.270 158 E C -1.016 175.586 176.600 0.004 0.000 0.911 158 E CA -0.422 55.979 56.400 0.001 0.000 0.818 158 E CB 1.968 31.667 29.700 -0.002 0.000 1.332 158 E HN 0.578 nan 8.360 nan 0.000 0.402 159 R N 2.135 122.635 120.500 0.001 0.000 2.674 159 R HA 0.674 5.016 4.340 0.004 0.000 0.266 159 R C -2.524 173.771 176.300 -0.008 0.000 1.016 159 R CA -1.654 54.447 56.100 0.001 0.000 1.062 159 R CB 0.623 30.927 30.300 0.005 0.000 1.142 159 R HN 0.039 nan 8.270 nan 0.000 0.517 160 P HA 0.259 nan 4.420 nan 0.000 0.287 160 P C -2.235 175.052 177.300 -0.022 0.000 1.294 160 P CA -1.440 61.651 63.100 -0.015 0.000 0.776 160 P CB 1.186 32.878 31.700 -0.013 0.000 0.889 161 P HA -0.090 nan 4.420 nan 0.000 0.217 161 P C 1.275 178.555 177.300 -0.034 0.000 1.153 161 P CA 0.523 63.602 63.100 -0.036 0.000 0.843 161 P CB 0.189 31.866 31.700 -0.039 0.000 0.794 162 Q N -0.654 119.129 119.800 -0.027 0.000 2.225 162 Q HA -0.194 4.148 4.340 0.004 0.000 0.343 162 Q C -1.510 174.478 176.000 -0.021 0.000 2.170 162 Q CA 2.487 58.276 55.803 -0.022 0.000 0.755 162 Q CB -2.980 25.747 28.738 -0.019 0.000 1.226 162 Q HN 0.316 nan 8.270 nan 0.000 0.797 163 P HA 0.192 nan 4.420 nan 0.000 0.287 163 P C -0.844 176.449 177.300 -0.012 0.000 1.294 163 P CA 0.052 63.143 63.100 -0.015 0.000 0.776 163 P CB 0.652 32.343 31.700 -0.015 0.000 0.889 164 E N 3.807 124.009 120.200 0.003 0.000 2.568 164 E HA -0.061 4.291 4.350 0.004 0.000 0.262 164 E C -0.427 176.191 176.600 0.030 0.000 0.961 164 E CA -0.233 56.184 56.400 0.029 0.000 0.945 164 E CB 0.370 30.106 29.700 0.059 0.000 0.924 164 E HN 0.429 nan 8.360 nan 0.000 0.467 165 L N 5.132 126.376 121.223 0.035 0.000 2.559 165 L HA -0.117 4.226 4.340 0.004 0.000 0.282 165 L C 1.641 178.537 176.870 0.044 0.000 1.232 165 L CA -0.012 54.843 54.840 0.025 0.000 0.885 165 L CB 0.798 42.875 42.059 0.029 0.000 1.131 165 L HN 0.677 nan 8.230 nan 0.000 0.498 166 V N 3.157 123.073 119.914 0.003 0.000 2.358 166 V HA -0.264 3.859 4.120 0.004 0.000 0.246 166 V C 2.313 178.405 176.094 -0.004 0.000 1.047 166 V CA 2.506 64.803 62.300 -0.004 0.000 1.035 166 V CB -0.178 31.636 31.823 -0.015 0.000 0.658 166 V HN 1.148 nan 8.190 nan 0.000 0.452 167 T N -2.013 112.510 114.554 -0.051 0.000 2.665 167 T HA -0.361 3.992 4.350 0.004 0.000 0.268 167 T C 1.865 176.647 174.700 0.136 0.000 1.035 167 T CA 2.337 64.410 62.100 -0.044 0.000 1.151 167 T CB -1.043 67.584 68.868 -0.403 0.000 0.862 167 T HN 0.654 nan 8.240 nan 0.000 0.438 168 Y N 2.240 122.521 120.300 -0.032 0.000 2.181 168 Y HA -0.118 4.435 4.550 0.005 0.000 0.288 168 Y C 3.034 178.861 175.900 -0.122 0.000 1.146 168 Y CA 1.634 59.683 58.100 -0.085 0.000 1.164 168 Y CB -0.171 38.247 38.460 -0.070 0.000 0.982 168 Y HN 0.072 nan 8.280 nan 0.000 0.515 169 R N 0.482 120.924 120.500 -0.096 0.000 2.083 169 R HA -0.218 4.125 4.340 0.004 0.000 0.237 169 R C 2.331 178.503 176.300 -0.214 0.000 1.137 169 R CA 1.978 57.975 56.100 -0.173 0.000 0.951 169 R CB -0.269 29.993 30.300 -0.064 0.000 0.851 169 R HN 0.335 nan 8.270 nan 0.000 0.434 170 R N 0.370 120.803 120.500 -0.111 0.000 2.105 170 R HA -0.129 4.213 4.340 0.004 0.000 0.239 170 R C 2.420 178.558 176.300 -0.270 0.000 1.135 170 R CA 1.447 57.514 56.100 -0.054 0.000 0.967 170 R CB -0.410 29.988 30.300 0.165 0.000 0.861 170 R HN 0.344 nan 8.270 nan 0.000 0.442 171 L N 0.613 121.489 121.223 -0.579 0.000 2.072 171 L HA -0.146 4.196 4.340 0.004 0.000 0.205 171 L C 2.407 178.825 176.870 -0.752 0.000 1.079 171 L CA 1.417 55.552 54.840 -1.175 0.000 0.752 171 L CB -0.197 41.015 42.059 -1.411 0.000 0.906 171 L HN 0.178 nan 8.230 nan 0.000 0.436 172 R N -0.433 119.642 120.500 -0.708 0.000 2.120 172 R HA -0.152 4.191 4.340 0.004 0.000 0.234 172 R C 2.318 178.408 176.300 -0.350 0.000 1.123 172 R CA 1.182 56.942 56.100 -0.567 0.000 0.975 172 R CB -0.039 29.872 30.300 -0.649 0.000 0.866 172 R HN 0.434 nan 8.270 nan 0.000 0.446 173 R N -0.378 119.945 120.500 -0.295 0.000 2.090 173 R HA -0.055 4.287 4.340 0.004 0.000 0.228 173 R C 2.223 178.423 176.300 -0.168 0.000 1.110 173 R CA 1.114 57.103 56.100 -0.185 0.000 0.973 173 R CB -0.210 30.014 30.300 -0.126 0.000 0.869 173 R HN 0.059 nan 8.270 nan 0.000 0.440 174 V N 1.638 121.424 119.914 -0.214 0.000 2.332 174 V HA -0.223 3.899 4.120 0.004 0.000 0.248 174 V C 2.157 178.152 176.094 -0.165 0.000 1.055 174 V CA 1.647 63.849 62.300 -0.164 0.000 1.038 174 V CB -0.362 31.349 31.823 -0.187 0.000 0.651 174 V HN 0.296 nan 8.190 nan 0.000 0.450 175 L N -0.149 120.943 121.223 -0.219 0.000 2.478 175 L HA 0.057 4.399 4.340 0.004 0.000 0.223 175 L C 2.581 179.362 176.870 -0.148 0.000 1.140 175 L CA 0.697 55.426 54.840 -0.185 0.000 0.842 175 L CB -0.681 41.251 42.059 -0.212 0.000 0.953 175 L HN 0.321 nan 8.230 nan 0.000 0.452 176 A N -0.484 122.251 122.820 -0.141 0.000 1.908 176 A HA -0.234 4.088 4.320 0.004 0.000 0.218 176 A C 1.729 179.260 177.584 -0.088 0.000 1.181 176 A CA 1.824 53.795 52.037 -0.111 0.000 0.627 176 A CB -0.232 18.706 19.000 -0.103 0.000 0.818 176 A HN 0.304 nan 8.150 nan 0.000 0.445 177 D N -1.126 119.224 120.400 -0.084 0.000 2.755 177 D HA 0.296 4.938 4.640 0.004 0.000 0.257 177 D C -0.441 175.812 176.300 -0.078 0.000 1.291 177 D CA -0.058 53.901 54.000 -0.068 0.000 0.836 177 D CB -0.028 40.741 40.800 -0.052 0.000 1.059 177 D HN 0.380 nan 8.370 nan 0.000 0.486 178 M N 1.390 120.931 119.600 -0.099 0.000 2.236 178 M HA 0.247 4.729 4.480 0.004 0.000 0.228 178 M C -1.962 174.257 176.300 -0.134 0.000 0.906 178 M CA -1.750 53.473 55.300 -0.128 0.000 0.761 178 M CB 1.761 34.270 32.600 -0.152 0.000 1.439 178 M HN -0.240 nan 8.290 nan 0.000 0.394 179 P HA -0.108 nan 4.420 nan 0.000 0.217 179 P C -0.389 176.841 177.300 -0.117 0.000 1.150 179 P CA 1.090 64.136 63.100 -0.089 0.000 0.832 179 P CB 0.030 31.697 31.700 -0.055 0.000 0.787 180 E N 0.358 120.450 120.200 -0.180 0.000 2.383 180 E HA -0.059 4.293 4.350 0.004 0.000 0.257 180 E C 1.300 177.697 176.600 -0.338 0.000 1.079 180 E CA -0.157 56.088 56.400 -0.258 0.000 0.934 180 E CB 0.346 29.785 29.700 -0.435 0.000 0.978 180 E HN -0.024 nan 8.360 nan 0.000 0.462 181 Q N 5.316 125.028 119.800 -0.147 0.000 2.133 181 Q HA -0.214 4.128 4.340 0.004 0.000 0.208 181 Q C 1.549 177.503 176.000 -0.076 0.000 0.991 181 Q CA 2.220 57.970 55.803 -0.088 0.000 0.867 181 Q CB -0.127 28.608 28.738 -0.005 0.000 0.911 181 Q HN 0.862 nan 8.270 nan 0.000 0.417 182 W N -0.020 121.286 121.300 0.011 0.000 2.374 182 W HA -0.132 4.530 4.660 0.003 0.000 0.288 182 W C 1.367 177.933 176.519 0.078 0.000 1.218 182 W CA 1.295 58.659 57.345 0.031 0.000 1.245 182 W CB -0.688 28.794 29.460 0.037 0.000 1.126 182 W HN 0.326 nan 8.180 nan 0.000 0.545 183 E N 0.883 120.467 120.200 -1.027 0.000 2.076 183 E HA -0.137 4.215 4.350 0.004 0.000 0.190 183 E C 2.467 178.868 176.600 -0.332 0.000 0.979 183 E CA 0.778 56.602 56.400 -0.961 0.000 0.807 183 E CB -0.125 28.749 29.700 -1.377 0.000 0.761 183 E HN 0.145 nan 8.360 nan 0.000 0.454 184 R N 0.724 121.058 120.500 -0.278 0.000 2.103 184 R HA -0.165 4.177 4.340 0.004 0.000 0.242 184 R C 1.823 178.116 176.300 -0.011 0.000 1.142 184 R CA 1.680 57.704 56.100 -0.127 0.000 0.960 184 R CB -0.288 29.941 30.300 -0.118 0.000 0.858 184 R HN 0.257 nan 8.270 nan 0.000 0.439 185 D N 0.531 120.956 120.400 0.042 0.000 2.144 185 D HA -0.112 4.530 4.640 0.004 0.000 0.200 185 D C 1.941 178.467 176.300 0.377 0.000 0.978 185 D CA 0.813 54.917 54.000 0.173 0.000 0.833 185 D CB -0.127 40.719 40.800 0.077 0.000 0.961 185 D HN 0.097 nan 8.370 nan 0.000 0.470 186 I N 1.375 122.155 120.570 0.350 0.000 2.208 186 I HA -0.218 3.954 4.170 0.004 0.000 0.245 186 I C 2.456 178.694 176.117 0.202 0.000 1.097 186 I CA 0.757 62.242 61.300 0.308 0.000 1.363 186 I CB -1.266 36.909 38.000 0.293 0.000 1.051 186 I HN -0.107 nan 8.210 nan 0.000 0.413 187 A N 0.592 123.503 122.820 0.151 0.000 1.877 187 A HA -0.133 4.189 4.320 0.004 0.000 0.216 187 A C 2.544 180.251 177.584 0.205 0.000 1.186 187 A CA 1.771 53.908 52.037 0.166 0.000 0.620 187 A CB -0.993 18.044 19.000 0.061 0.000 0.822 187 A HN 0.233 nan 8.150 nan 0.000 0.443 188 V N 0.292 120.290 119.914 0.141 0.000 2.332 188 V HA -0.250 3.872 4.120 0.004 0.000 0.248 188 V C 2.482 178.684 176.094 0.180 0.000 1.055 188 V CA 1.870 64.255 62.300 0.143 0.000 1.038 188 V CB -0.741 31.139 31.823 0.095 0.000 0.651 188 V HN 0.630 nan 8.190 nan 0.000 0.450 189 L N -0.170 121.171 121.223 0.197 0.000 2.046 189 L HA -0.139 4.203 4.340 0.004 0.000 0.208 189 L C 2.456 179.361 176.870 0.060 0.000 1.077 189 L CA 1.912 56.825 54.840 0.121 0.000 0.747 189 L CB -0.276 41.805 42.059 0.036 0.000 0.896 189 L HN 0.219 nan 8.230 nan 0.000 0.432 190 V N -0.928 119.045 119.914 0.098 0.000 2.343 190 V HA -0.323 3.799 4.120 0.004 0.000 0.247 190 V C 2.277 178.393 176.094 0.036 0.000 1.051 190 V CA 1.947 64.278 62.300 0.051 0.000 1.036 190 V CB -0.635 31.237 31.823 0.081 0.000 0.654 190 V HN 0.598 nan 8.190 nan 0.000 0.451 191 W N 0.745 122.029 121.300 -0.026 0.000 2.358 191 W HA -0.116 4.546 4.660 0.003 0.000 0.303 191 W C 2.352 178.819 176.519 -0.086 0.000 1.208 191 W CA 1.771 59.117 57.345 0.001 0.000 1.274 191 W CB -0.649 28.864 29.460 0.089 0.000 1.138 191 W HN 0.396 nan 8.180 nan 0.000 0.515 192 G N 0.152 109.025 108.800 0.123 0.000 2.418 192 G HA2 -0.220 3.742 3.960 0.004 0.000 0.217 192 G HA3 -0.220 3.742 3.960 0.004 0.000 0.217 192 G C 1.666 176.442 174.900 -0.206 0.000 1.158 192 G CA 1.536 46.584 45.100 -0.087 0.000 0.771 192 G HN 0.284 nan 8.290 nan 0.000 0.545 193 A N 0.130 122.853 122.820 -0.161 0.000 1.902 193 A HA 0.073 4.395 4.320 0.004 0.000 0.217 193 A C 2.618 180.057 177.584 -0.241 0.000 1.181 193 A CA 1.856 53.797 52.037 -0.160 0.000 0.623 193 A CB -0.653 18.282 19.000 -0.110 0.000 0.818 193 A HN 0.257 nan 8.150 nan 0.000 0.443 194 V N -0.052 119.645 119.914 -0.362 0.000 2.295 194 V HA -0.263 3.859 4.120 0.004 0.000 0.246 194 V C 3.081 178.708 176.094 -0.778 0.000 1.049 194 V CA 1.968 63.928 62.300 -0.566 0.000 1.024 194 V CB -1.352 30.024 31.823 -0.745 0.000 0.648 194 V HN 0.622 nan 8.190 nan 0.000 0.447 195 A N -0.445 121.835 122.820 -0.899 0.000 1.917 195 A HA -0.245 4.077 4.320 0.004 0.000 0.219 195 A C 2.162 179.565 177.584 -0.301 0.000 1.182 195 A CA 1.931 53.543 52.037 -0.709 0.000 0.633 195 A CB -0.413 18.447 19.000 -0.234 0.000 0.819 195 A HN 0.555 nan 8.150 nan 0.000 0.448 196 E N -0.822 119.256 120.200 -0.203 0.000 2.371 196 E HA -0.061 4.291 4.350 0.004 0.000 0.194 196 E C 1.803 178.393 176.600 -0.017 0.000 1.012 196 E CA 1.411 57.793 56.400 -0.030 0.000 0.860 196 E CB -0.212 29.511 29.700 0.037 0.000 0.811 196 E HN 0.840 nan 8.360 nan 0.000 0.502 197 T N -2.846 111.639 114.554 -0.114 0.000 3.023 197 T HA 0.128 4.480 4.350 0.004 0.000 0.253 197 T C 0.906 175.524 174.700 -0.136 0.000 1.038 197 T CA -0.330 61.721 62.100 -0.083 0.000 0.962 197 T CB -0.246 68.581 68.868 -0.069 0.000 1.018 197 T HN -0.077 nan 8.240 nan 0.000 0.521 198 C N 2.395 121.543 119.300 -0.254 0.000 2.264 198 C HA 0.599 5.061 4.460 0.004 0.000 0.322 198 C C 0.307 175.178 174.990 -0.198 0.000 1.210 198 C CA -1.584 57.214 59.018 -0.368 0.000 1.539 198 C CB -1.036 26.259 27.740 -0.741 0.000 2.167 198 C HN 0.561 nan 8.230 nan 0.000 0.463 199 I N 3.946 124.480 120.570 -0.060 0.000 2.396 199 I HA 0.079 4.251 4.170 0.004 0.000 0.289 199 I C 0.654 176.835 176.117 0.107 0.000 1.056 199 I CA 0.184 61.516 61.300 0.052 0.000 1.365 199 I CB 0.257 38.347 38.000 0.151 0.000 1.407 199 I HN 0.645 nan 8.210 nan 0.000 0.509 200 N N 5.129 123.859 118.700 0.050 0.000 2.359 200 N HA -0.049 4.693 4.740 0.004 0.000 0.261 200 N C 0.910 176.391 175.510 -0.047 0.000 1.267 200 N CA 0.508 53.594 53.050 0.061 0.000 0.864 200 N CB 1.247 39.785 38.487 0.085 0.000 1.063 200 N HN 0.767 nan 8.380 nan 0.000 0.474 201 A N 5.232 128.042 122.820 -0.017 0.000 1.917 201 A HA -0.170 4.152 4.320 0.004 0.000 0.219 201 A C 2.224 179.467 177.584 -0.568 0.000 1.182 201 A CA 1.282 53.100 52.037 -0.364 0.000 0.633 201 A CB -0.534 18.493 19.000 0.045 0.000 0.819 201 A HN 0.784 nan 8.150 nan 0.000 0.448 202 L N -1.205 119.846 121.223 -0.287 0.000 2.131 202 L HA -0.153 4.189 4.340 0.004 0.000 0.210 202 L C 2.518 179.126 176.870 -0.438 0.000 1.092 202 L CA 0.900 55.522 54.840 -0.362 0.000 0.759 202 L CB -0.779 41.100 42.059 -0.300 0.000 0.903 202 L HN 0.416 nan 8.230 nan 0.000 0.435 203 L N 0.800 121.853 121.223 -0.283 0.000 1.989 203 L HA -0.176 4.166 4.340 0.004 0.000 0.211 203 L C 2.654 179.371 176.870 -0.256 0.000 1.071 203 L CA 2.219 56.947 54.840 -0.185 0.000 0.749 203 L CB -0.717 41.279 42.059 -0.106 0.000 0.890 203 L HN 0.156 nan 8.230 nan 0.000 0.431 204 A N -1.114 121.450 122.820 -0.427 0.000 1.929 204 A HA -0.049 4.273 4.320 0.004 0.000 0.216 204 A C 2.222 179.569 177.584 -0.396 0.000 1.176 204 A CA 1.507 53.311 52.037 -0.389 0.000 0.628 204 A CB -0.698 18.003 19.000 -0.499 0.000 0.816 204 A HN 0.485 nan 8.150 nan 0.000 0.444 205 L N -0.678 120.208 121.223 -0.563 0.000 2.027 205 L HA -0.126 4.216 4.340 0.004 0.000 0.206 205 L C 2.515 179.192 176.870 -0.322 0.000 1.074 205 L CA 0.947 55.526 54.840 -0.435 0.000 0.745 205 L CB -0.533 41.240 42.059 -0.477 0.000 0.898 205 L HN 0.334 nan 8.230 nan 0.000 0.433 206 L N -0.362 120.658 121.223 -0.339 0.000 2.046 206 L HA -0.184 4.158 4.340 0.004 0.000 0.208 206 L C 2.901 179.674 176.870 -0.161 0.000 1.077 206 L CA 1.084 55.765 54.840 -0.265 0.000 0.747 206 L CB -0.747 41.162 42.059 -0.250 0.000 0.896 206 L HN 0.240 nan 8.230 nan 0.000 0.432 207 A N 1.124 123.865 122.820 -0.131 0.000 1.917 207 A HA -0.245 4.077 4.320 0.004 0.000 0.219 207 A C 2.292 179.831 177.584 -0.074 0.000 1.182 207 A CA 2.144 54.139 52.037 -0.069 0.000 0.633 207 A CB -0.597 18.373 19.000 -0.050 0.000 0.819 207 A HN 0.593 nan 8.150 nan 0.000 0.448 208 R N -0.673 119.769 120.500 -0.098 0.000 2.317 208 R HA 0.122 4.464 4.340 0.004 0.000 0.208 208 R C -0.283 175.962 176.300 -0.091 0.000 0.914 208 R CA 0.289 56.343 56.100 -0.076 0.000 1.060 208 R CB -0.183 30.083 30.300 -0.057 0.000 1.015 208 R HN 0.335 nan 8.270 nan 0.000 0.498 209 D N 0.908 121.235 120.400 -0.122 0.000 2.317 209 D HA 0.147 4.789 4.640 0.004 0.000 0.252 209 D C -0.058 176.169 176.300 -0.121 0.000 1.174 209 D CA 0.030 53.951 54.000 -0.131 0.000 0.866 209 D CB 1.744 42.439 40.800 -0.175 0.000 1.127 209 D HN 0.349 nan 8.370 nan 0.000 0.467 210 A N 2.739 125.496 122.820 -0.104 0.000 2.308 210 A HA 0.004 4.326 4.320 0.004 0.000 0.217 210 A C 1.682 179.199 177.584 -0.112 0.000 1.216 210 A CA 0.427 52.403 52.037 -0.102 0.000 0.864 210 A CB -0.033 18.920 19.000 -0.078 0.000 0.902 210 A HN 0.632 nan 8.150 nan 0.000 0.499 211 T N -1.378 113.106 114.554 -0.117 0.000 3.044 211 T HA 0.261 4.613 4.350 0.004 0.000 0.255 211 T C 0.935 175.549 174.700 -0.144 0.000 1.073 211 T CA 0.467 62.498 62.100 -0.114 0.000 1.125 211 T CB -0.691 68.122 68.868 -0.091 0.000 0.908 211 T HN 0.515 nan 8.240 nan 0.000 0.480 212 I N -0.977 119.487 120.570 -0.177 0.000 2.970 212 I HA 0.437 4.610 4.170 0.004 0.000 0.310 212 I C -0.083 175.839 176.117 -0.325 0.000 1.010 212 I CA -1.423 59.738 61.300 -0.231 0.000 1.228 212 I CB 0.556 38.416 38.000 -0.233 0.000 1.433 212 I HN -0.154 nan 8.210 nan 0.000 0.573 213 Q N 2.770 122.268 119.800 -0.503 0.000 2.398 213 Q HA -0.005 4.337 4.340 0.004 0.000 0.329 213 Q C -1.620 174.052 176.000 -0.546 0.000 1.079 213 Q CA -0.786 54.621 55.803 -0.660 0.000 1.041 213 Q CB 0.366 28.380 28.738 -1.206 0.000 1.084 213 Q HN 0.488 nan 8.270 nan 0.000 0.386 214 P HA -0.201 nan 4.420 nan 0.000 0.218 214 P C 1.241 178.368 177.300 -0.289 0.000 1.148 214 P CA 1.433 64.362 63.100 -0.284 0.000 0.822 214 P CB -0.037 31.524 31.700 -0.231 0.000 0.784 215 M N -2.314 117.032 119.600 -0.423 0.000 2.319 215 M HA -0.068 4.414 4.480 0.004 0.000 0.265 215 M C 1.586 177.819 176.300 -0.113 0.000 1.068 215 M CA 1.776 56.837 55.300 -0.398 0.000 1.118 215 M CB -2.224 29.814 32.600 -0.937 0.000 1.395 215 M HN -0.025 nan 8.290 nan 0.000 0.435 216 H N 1.844 120.721 119.070 -0.320 0.000 2.333 216 H HA 0.049 4.607 4.556 0.003 0.000 0.302 216 H C 2.630 177.884 175.328 -0.123 0.000 1.075 216 H CA 2.110 57.965 56.048 -0.322 0.000 1.348 216 H CB -0.836 28.353 29.762 -0.955 0.000 1.393 216 H HN 0.638 nan 8.280 nan 0.000 0.509 217 S N 0.697 116.366 115.700 -0.053 0.000 2.383 217 S HA -0.111 4.361 4.470 0.004 0.000 0.227 217 S C 2.215 176.810 174.600 -0.008 0.000 1.026 217 S CA 1.018 59.189 58.200 -0.049 0.000 0.981 217 S CB -0.645 62.493 63.200 -0.103 0.000 0.818 217 S HN 0.234 nan 8.310 nan 0.000 0.472 218 L N 1.634 122.843 121.223 -0.023 0.000 1.989 218 L HA 0.100 4.442 4.340 0.004 0.000 0.211 218 L C 2.283 179.192 176.870 0.064 0.000 1.071 218 L CA 1.648 56.491 54.840 0.004 0.000 0.749 218 L CB -0.727 41.314 42.059 -0.030 0.000 0.890 218 L HN 0.359 nan 8.230 nan 0.000 0.431 219 I N -0.570 120.057 120.570 0.095 0.000 2.226 219 I HA -0.318 3.854 4.170 0.004 0.000 0.245 219 I C 2.390 178.606 176.117 0.165 0.000 1.100 219 I CA 1.809 63.176 61.300 0.112 0.000 1.374 219 I CB -0.565 37.507 38.000 0.119 0.000 1.057 219 I HN 0.537 nan 8.210 nan 0.000 0.413 220 T N -2.974 111.709 114.554 0.214 0.000 2.857 220 T HA -0.127 4.225 4.350 0.004 0.000 0.266 220 T C 1.825 176.603 174.700 0.130 0.000 1.048 220 T CA 1.640 63.870 62.100 0.217 0.000 1.139 220 T CB -0.809 68.162 68.868 0.171 0.000 0.874 220 T HN 0.203 nan 8.240 nan 0.000 0.455 221 T N 2.602 117.207 114.554 0.085 0.000 2.652 221 T HA 0.059 4.411 4.350 0.004 0.000 0.267 221 T C 1.913 176.668 174.700 0.092 0.000 1.039 221 T CA 1.380 63.517 62.100 0.062 0.000 1.153 221 T CB -0.589 68.300 68.868 0.035 0.000 0.863 221 T HN 0.284 nan 8.240 nan 0.000 0.428 222 L N -0.209 121.084 121.223 0.116 0.000 2.046 222 L HA -0.147 4.195 4.340 0.004 0.000 0.208 222 L C 2.527 179.497 176.870 0.167 0.000 1.077 222 L CA 1.671 56.598 54.840 0.146 0.000 0.747 222 L CB -0.582 41.590 42.059 0.189 0.000 0.896 222 L HN 0.443 nan 8.230 nan 0.000 0.432 223 H N -0.600 118.482 119.070 0.020 0.000 2.357 223 H HA -0.202 4.356 4.556 0.005 0.000 0.301 223 H C 2.225 177.504 175.328 -0.082 0.000 1.082 223 H CA 1.131 57.096 56.048 -0.137 0.000 1.342 223 H CB 0.300 30.023 29.762 -0.065 0.000 1.389 223 H HN 0.132 nan 8.280 nan 0.000 0.511 224 L N 1.252 122.546 121.223 0.119 0.000 2.046 224 L HA -0.154 4.188 4.340 0.004 0.000 0.208 224 L C 2.289 179.195 176.870 0.061 0.000 1.077 224 L CA 1.494 56.363 54.840 0.049 0.000 0.747 224 L CB -0.464 41.615 42.059 0.033 0.000 0.896 224 L HN 0.168 nan 8.230 nan 0.000 0.432 225 R N -0.476 120.069 120.500 0.076 0.000 2.091 225 R HA -0.161 4.182 4.340 0.004 0.000 0.238 225 R C 1.881 178.218 176.300 0.062 0.000 1.136 225 R CA 1.591 57.732 56.100 0.068 0.000 0.959 225 R CB -0.532 29.810 30.300 0.070 0.000 0.856 225 R HN 0.449 nan 8.270 nan 0.000 0.437 226 D N 0.173 120.619 120.400 0.076 0.000 2.123 226 D HA -0.140 4.502 4.640 0.004 0.000 0.200 226 D C 1.792 177.934 176.300 -0.263 0.000 0.976 226 D CA 1.048 55.043 54.000 -0.007 0.000 0.831 226 D CB -0.125 40.800 40.800 0.207 0.000 0.974 226 D HN 0.118 nan 8.370 nan 0.000 0.469 227 E N 0.248 120.391 120.200 -0.096 0.000 2.150 227 E HA -0.100 4.252 4.350 0.004 0.000 0.193 227 E C 1.782 178.408 176.600 0.043 0.000 0.985 227 E CA 1.160 57.540 56.400 -0.033 0.000 0.814 227 E CB -0.237 29.488 29.700 0.042 0.000 0.752 227 E HN 0.107 nan 8.360 nan 0.000 0.466 228 T N 0.159 114.738 114.554 0.043 0.000 2.684 228 T HA -0.195 4.157 4.350 0.004 0.000 0.267 228 T C 1.847 176.601 174.700 0.090 0.000 1.036 228 T CA 1.641 63.782 62.100 0.068 0.000 1.148 228 T CB -0.556 68.350 68.868 0.064 0.000 0.863 228 T HN 0.347 nan 8.240 nan 0.000 0.436 229 A N 1.266 124.141 122.820 0.091 0.000 1.877 229 A HA -0.169 4.153 4.320 0.004 0.000 0.216 229 A C 1.962 179.694 177.584 0.248 0.000 1.186 229 A CA 1.696 53.824 52.037 0.151 0.000 0.620 229 A CB -1.040 18.068 19.000 0.179 0.000 0.822 229 A HN 0.724 nan 8.150 nan 0.000 0.443 230 H N -1.073 118.101 119.070 0.174 0.000 2.387 230 H HA -0.108 4.450 4.556 0.003 0.000 0.299 230 H C 2.404 177.831 175.328 0.165 0.000 1.099 230 H CA 0.327 56.494 56.048 0.197 0.000 1.315 230 H CB -0.086 29.858 29.762 0.303 0.000 1.380 230 H HN 0.556 nan 8.280 nan 0.000 0.513 231 G N 0.218 109.166 108.800 0.247 0.000 2.446 231 G HA2 -0.285 3.677 3.960 0.004 0.000 0.217 231 G HA3 -0.285 3.677 3.960 0.004 0.000 0.217 231 G C 1.829 176.793 174.900 0.107 0.000 1.168 231 G CA 1.105 46.289 45.100 0.140 0.000 0.771 231 G HN 0.309 nan 8.290 nan 0.000 0.551 232 S N 0.520 116.285 115.700 0.108 0.000 2.387 232 S HA 0.011 4.483 4.470 0.004 0.000 0.226 232 S C 2.263 176.912 174.600 0.081 0.000 1.026 232 S CA 0.718 58.965 58.200 0.078 0.000 0.972 232 S CB -0.182 63.061 63.200 0.073 0.000 0.814 232 S HN 0.367 nan 8.310 nan 0.000 0.477 233 I N 1.321 121.956 120.570 0.108 0.000 2.163 233 I HA -0.175 3.998 4.170 0.004 0.000 0.243 233 I C 2.216 178.385 176.117 0.087 0.000 1.085 233 I CA 1.018 62.368 61.300 0.084 0.000 1.347 233 I CB -0.444 37.599 38.000 0.072 0.000 1.044 233 I HN 0.144 nan 8.210 nan 0.000 0.408 234 V N 0.174 120.162 119.914 0.122 0.000 2.358 234 V HA -0.225 3.897 4.120 0.004 0.000 0.246 234 V C 2.410 178.534 176.094 0.050 0.000 1.047 234 V CA 1.433 63.799 62.300 0.110 0.000 1.035 234 V CB -0.265 31.626 31.823 0.114 0.000 0.658 234 V HN 0.235 nan 8.190 nan 0.000 0.452 235 V N -0.189 119.748 119.914 0.038 0.000 2.287 235 V HA -0.233 3.889 4.120 0.004 0.000 0.248 235 V C 2.611 178.714 176.094 0.016 0.000 1.053 235 V CA 1.973 64.281 62.300 0.013 0.000 1.027 235 V CB -0.581 31.248 31.823 0.010 0.000 0.646 235 V HN 0.564 nan 8.190 nan 0.000 0.447 236 E N -0.093 120.124 120.200 0.029 0.000 2.028 236 E HA -0.144 4.209 4.350 0.004 0.000 0.191 236 E C 2.350 178.968 176.600 0.030 0.000 0.988 236 E CA 1.278 57.695 56.400 0.028 0.000 0.799 236 E CB -0.599 29.120 29.700 0.031 0.000 0.755 236 E HN 0.462 nan 8.360 nan 0.000 0.447 237 V N 1.379 121.315 119.914 0.036 0.000 2.295 237 V HA -0.218 3.904 4.120 0.004 0.000 0.246 237 V C 2.620 178.730 176.094 0.026 0.000 1.049 237 V CA 1.424 63.747 62.300 0.039 0.000 1.024 237 V CB -0.516 31.341 31.823 0.058 0.000 0.648 237 V HN 0.054 nan 8.190 nan 0.000 0.447 238 V N 0.106 120.028 119.914 0.013 0.000 2.407 238 V HA -0.258 3.865 4.120 0.004 0.000 0.248 238 V C 2.581 178.689 176.094 0.023 0.000 1.055 238 V CA 2.278 64.570 62.300 -0.012 0.000 1.049 238 V CB -0.875 30.923 31.823 -0.043 0.000 0.662 238 V HN 0.504 nan 8.190 nan 0.000 0.455 239 R N 0.168 120.684 120.500 0.026 0.000 2.081 239 R HA -0.177 4.165 4.340 0.004 0.000 0.235 239 R C 2.224 178.580 176.300 0.093 0.000 1.131 239 R CA 1.744 57.880 56.100 0.060 0.000 0.960 239 R CB -0.162 30.160 30.300 0.038 0.000 0.856 239 R HN 0.522 nan 8.270 nan 0.000 0.436 240 E N 0.642 120.879 120.200 0.061 0.000 2.152 240 E HA -0.128 4.225 4.350 0.004 0.000 0.192 240 E C 2.157 178.792 176.600 0.058 0.000 0.983 240 E CA 0.806 57.239 56.400 0.055 0.000 0.818 240 E CB -0.070 29.655 29.700 0.042 0.000 0.758 240 E HN 0.427 nan 8.360 nan 0.000 0.467 241 L N -0.361 120.893 121.223 0.052 0.000 2.095 241 L HA -0.119 4.223 4.340 0.004 0.000 0.204 241 L C 2.534 179.439 176.870 0.058 0.000 1.080 241 L CA 0.830 55.690 54.840 0.033 0.000 0.759 241 L CB -0.558 41.470 42.059 -0.052 0.000 0.914 241 L HN 0.060 nan 8.230 nan 0.000 0.439 242 Y N 1.263 121.533 120.300 -0.050 0.000 2.256 242 Y HA -0.268 4.284 4.550 0.003 0.000 0.288 242 Y C 2.491 178.387 175.900 -0.007 0.000 1.155 242 Y CA 1.081 59.163 58.100 -0.029 0.000 1.203 242 Y CB -0.201 38.244 38.460 -0.025 0.000 0.980 242 Y HN 0.116 nan 8.280 nan 0.000 0.530 243 A N -0.023 122.825 122.820 0.047 0.000 1.969 243 A HA -0.115 4.208 4.320 0.004 0.000 0.218 243 A C 2.113 179.664 177.584 -0.054 0.000 1.169 243 A CA 1.388 53.414 52.037 -0.018 0.000 0.635 243 A CB -0.257 18.763 19.000 0.034 0.000 0.810 243 A HN 0.362 nan 8.150 nan 0.000 0.445 244 R N -1.365 119.119 120.500 -0.026 0.000 2.334 244 R HA 0.311 4.653 4.340 0.004 0.000 0.212 244 R C 0.082 176.368 176.300 -0.023 0.000 0.897 244 R CA -0.097 55.994 56.100 -0.015 0.000 1.056 244 R CB -0.244 30.070 30.300 0.024 0.000 1.046 244 R HN 0.497 nan 8.270 nan 0.000 0.513 245 M N 2.627 122.194 119.600 -0.054 0.000 2.243 245 M HA -0.013 4.469 4.480 0.004 0.000 0.341 245 M C 0.599 176.838 176.300 -0.100 0.000 1.130 245 M CA -0.171 55.101 55.300 -0.048 0.000 1.162 245 M CB 0.499 33.065 32.600 -0.058 0.000 1.497 245 M HN 0.025 nan 8.290 nan 0.000 0.456 246 N N 1.988 120.637 118.700 -0.086 0.000 2.288 246 N HA -0.024 4.718 4.740 0.004 0.000 0.237 246 N C 0.380 175.813 175.510 -0.129 0.000 1.311 246 N CA -0.074 52.907 53.050 -0.115 0.000 0.909 246 N CB 0.397 38.800 38.487 -0.140 0.000 1.167 246 N HN 0.496 nan 8.380 nan 0.000 0.476 247 E N -0.453 119.677 120.200 -0.117 0.000 2.097 247 E HA -0.300 4.052 4.350 0.004 0.000 0.196 247 E C 1.666 178.223 176.600 -0.071 0.000 1.000 247 E CA 1.901 58.245 56.400 -0.093 0.000 0.804 247 E CB -0.411 29.248 29.700 -0.068 0.000 0.740 247 E HN 0.902 nan 8.360 nan 0.000 0.454 248 Q N 0.409 120.140 119.800 -0.115 0.000 2.137 248 Q HA -0.109 4.233 4.340 0.004 0.000 0.198 248 Q C 2.011 178.014 176.000 0.004 0.000 0.960 248 Q CA 0.925 56.677 55.803 -0.085 0.000 0.847 248 Q CB -0.264 28.375 28.738 -0.165 0.000 0.915 248 Q HN 0.248 nan 8.270 nan 0.000 0.448 249 Q N 0.750 120.509 119.800 -0.068 0.000 2.045 249 Q HA -0.172 4.170 4.340 0.004 0.000 0.206 249 Q C 2.278 178.383 176.000 0.175 0.000 0.991 249 Q CA 1.932 57.830 55.803 0.158 0.000 0.851 249 Q CB -0.146 28.668 28.738 0.127 0.000 0.911 249 Q HN 0.391 nan 8.270 nan 0.000 0.418 250 R N 0.411 120.942 120.500 0.052 0.000 2.094 250 R HA -0.143 4.199 4.340 0.004 0.000 0.239 250 R C 2.368 178.805 176.300 0.229 0.000 1.137 250 R CA 1.604 57.749 56.100 0.076 0.000 0.943 250 R CB -0.274 29.888 30.300 -0.228 0.000 0.850 250 R HN 0.215 nan 8.270 nan 0.000 0.433 251 R N -0.018 120.571 120.500 0.149 0.000 2.105 251 R HA -0.104 4.238 4.340 0.004 0.000 0.239 251 R C 2.318 178.727 176.300 0.182 0.000 1.135 251 R CA 1.386 57.580 56.100 0.156 0.000 0.967 251 R CB -0.334 30.036 30.300 0.116 0.000 0.861 251 R HN 0.249 nan 8.270 nan 0.000 0.442 252 A N 1.206 124.162 122.820 0.228 0.000 1.930 252 A HA -0.130 4.193 4.320 0.004 0.000 0.217 252 A C 2.133 179.831 177.584 0.189 0.000 1.175 252 A CA 0.851 53.026 52.037 0.229 0.000 0.627 252 A CB -0.452 18.749 19.000 0.336 0.000 0.815 252 A HN 0.302 nan 8.150 nan 0.000 0.443 253 L N -0.059 121.290 121.223 0.210 0.000 1.989 253 L HA -0.177 4.166 4.340 0.004 0.000 0.211 253 L C 2.384 179.315 176.870 0.102 0.000 1.071 253 L CA 1.968 56.903 54.840 0.159 0.000 0.749 253 L CB -0.258 41.920 42.059 0.198 0.000 0.890 253 L HN 0.203 nan 8.230 nan 0.000 0.431 254 V N -0.286 119.703 119.914 0.125 0.000 2.343 254 V HA -0.267 3.855 4.120 0.004 0.000 0.247 254 V C 2.689 178.823 176.094 0.067 0.000 1.051 254 V CA 1.840 64.184 62.300 0.073 0.000 1.036 254 V CB -0.825 31.061 31.823 0.105 0.000 0.654 254 V HN 0.444 nan 8.190 nan 0.000 0.451 255 R N -0.647 119.908 120.500 0.091 0.000 2.122 255 R HA -0.275 4.068 4.340 0.004 0.000 0.236 255 R C 2.363 178.706 176.300 0.072 0.000 1.129 255 R CA 2.410 58.559 56.100 0.082 0.000 0.925 255 R CB -0.993 29.366 30.300 0.099 0.000 0.850 255 R HN 0.524 nan 8.270 nan 0.000 0.431 256 C N 0.840 120.194 119.300 0.089 0.000 2.472 256 C HA 0.083 4.546 4.460 0.004 0.000 0.278 256 C C 2.645 177.646 174.990 0.018 0.000 1.447 256 C CA -0.101 58.979 59.018 0.105 0.000 1.773 256 C CB -1.280 26.572 27.740 0.187 0.000 1.793 256 C HN 0.434 nan 8.230 nan 0.000 0.544 257 L N 2.029 123.241 121.223 -0.019 0.000 1.990 257 L HA -0.116 4.226 4.340 0.004 0.000 0.213 257 L C -0.018 176.742 176.870 -0.184 0.000 1.072 257 L CA 2.120 56.896 54.840 -0.107 0.000 0.755 257 L CB -1.693 40.318 42.059 -0.081 0.000 0.889 257 L HN 0.268 nan 8.230 nan 0.000 0.432 258 P HA -0.167 nan 4.420 nan 0.000 0.218 258 P C 1.749 178.977 177.300 -0.119 0.000 1.149 258 P CA 1.545 64.577 63.100 -0.112 0.000 0.817 258 P CB -0.064 31.649 31.700 0.023 0.000 0.785 259 I N 0.383 120.911 120.570 -0.070 0.000 2.113 259 I HA -0.241 3.931 4.170 0.004 0.000 0.238 259 I C 2.642 178.628 176.117 -0.220 0.000 1.070 259 I CA 1.734 63.021 61.300 -0.021 0.000 1.332 259 I CB -1.366 36.714 38.000 0.132 0.000 1.044 259 I HN -0.085 nan 8.210 nan 0.000 0.402 260 A N 1.331 123.801 122.820 -0.582 0.000 1.883 260 A HA -0.173 4.149 4.320 0.004 0.000 0.217 260 A C 2.368 179.642 177.584 -0.516 0.000 1.186 260 A CA 1.575 52.907 52.037 -1.175 0.000 0.624 260 A CB -0.979 17.243 19.000 -1.297 0.000 0.822 260 A HN 0.397 nan 8.150 nan 0.000 0.444 261 L N -1.034 119.896 121.223 -0.489 0.000 2.012 261 L HA -0.214 4.128 4.340 0.004 0.000 0.210 261 L C 2.735 179.394 176.870 -0.352 0.000 1.073 261 L CA 1.787 56.270 54.840 -0.595 0.000 0.748 261 L CB -0.462 40.755 42.059 -1.403 0.000 0.891 261 L HN 0.425 nan 8.230 nan 0.000 0.431 262 E N 0.424 120.522 120.200 -0.169 0.000 2.077 262 E HA -0.200 4.152 4.350 0.004 0.000 0.193 262 E C 2.114 178.781 176.600 0.111 0.000 0.989 262 E CA 1.518 57.996 56.400 0.129 0.000 0.800 262 E CB -0.188 29.594 29.700 0.137 0.000 0.746 262 E HN 0.367 nan 8.360 nan 0.000 0.452 263 A N -0.379 122.471 122.820 0.050 0.000 1.917 263 A HA -0.183 4.140 4.320 0.004 0.000 0.219 263 A C 2.086 179.662 177.584 -0.015 0.000 1.182 263 A CA 1.681 53.746 52.037 0.047 0.000 0.633 263 A CB -0.966 18.098 19.000 0.106 0.000 0.819 263 A HN 0.365 nan 8.150 nan 0.000 0.448 264 F N -0.580 119.372 119.950 0.004 0.000 2.615 264 F HA 0.180 4.709 4.527 0.003 0.000 0.297 264 F C 2.483 178.445 175.800 0.269 0.000 1.124 264 F CA 0.599 58.638 58.000 0.065 0.000 1.451 264 F CB -0.026 38.927 39.000 -0.079 0.000 1.103 264 F HN 0.257 nan 8.300 nan 0.000 0.569 265 A N -0.828 122.306 122.820 0.524 0.000 2.072 265 A HA -0.048 4.274 4.320 0.004 0.000 0.216 265 A C 1.125 178.868 177.584 0.266 0.000 1.156 265 A CA 0.017 52.364 52.037 0.516 0.000 0.701 265 A CB -0.477 18.722 19.000 0.332 0.000 0.816 265 A HN 0.255 nan 8.150 nan 0.000 0.458 266 E N 0.535 120.840 120.200 0.175 0.000 2.414 266 E HA 0.116 4.468 4.350 0.004 0.000 0.263 266 E C -0.398 176.257 176.600 0.092 0.000 1.000 266 E CA -0.118 56.344 56.400 0.103 0.000 0.914 266 E CB 0.308 30.046 29.700 0.064 0.000 0.948 266 E HN 0.387 nan 8.360 nan 0.000 0.444 267 Q N 3.429 123.277 119.800 0.081 0.000 2.290 267 Q HA 0.156 4.498 4.340 0.004 0.000 0.259 267 Q C -1.427 174.604 176.000 0.052 0.000 0.941 267 Q CA -0.467 55.382 55.803 0.076 0.000 0.912 267 Q CB 1.369 30.158 28.738 0.085 0.000 1.244 267 Q HN 0.307 nan 8.270 nan 0.000 0.441 268 D N 4.844 125.269 120.400 0.043 0.000 2.392 268 D HA 0.155 4.797 4.640 0.004 0.000 0.228 268 D C 0.294 176.614 176.300 0.033 0.000 1.074 268 D CA -0.236 53.781 54.000 0.030 0.000 0.838 268 D CB 1.127 41.936 40.800 0.015 0.000 1.067 268 D HN 0.660 nan 8.370 nan 0.000 0.511 269 L N 2.489 123.730 121.223 0.029 0.000 2.552 269 L HA -0.043 4.300 4.340 0.004 0.000 0.227 269 L C 2.140 179.014 176.870 0.007 0.000 1.146 269 L CA 0.390 55.246 54.840 0.027 0.000 0.858 269 L CB -0.659 41.412 42.059 0.021 0.000 0.969 269 L HN 0.317 nan 8.230 nan 0.000 0.451 270 S N 0.471 116.173 115.700 0.004 0.000 2.383 270 S HA -0.124 4.348 4.470 0.004 0.000 0.227 270 S C 2.223 176.817 174.600 -0.010 0.000 1.026 270 S CA 1.217 59.413 58.200 -0.007 0.000 0.981 270 S CB 0.216 63.413 63.200 -0.006 0.000 0.818 270 S HN 0.479 nan 8.310 nan 0.000 0.472 271 A N 1.550 124.369 122.820 -0.001 0.000 1.873 271 A HA -0.088 4.234 4.320 0.004 0.000 0.218 271 A C 2.068 179.650 177.584 -0.004 0.000 1.193 271 A CA 1.745 53.781 52.037 -0.001 0.000 0.629 271 A CB -1.020 17.986 19.000 0.010 0.000 0.826 271 A HN 0.504 nan 8.150 nan 0.000 0.447 272 L N -1.155 120.073 121.223 0.007 0.000 1.989 272 L HA -0.181 4.161 4.340 0.004 0.000 0.211 272 L C 2.479 179.304 176.870 -0.076 0.000 1.071 272 L CA 1.960 56.800 54.840 -0.001 0.000 0.749 272 L CB -0.993 41.086 42.059 0.034 0.000 0.890 272 L HN 0.452 nan 8.230 nan 0.000 0.431 273 L N -1.158 120.018 121.223 -0.078 0.000 2.021 273 L HA -0.278 4.064 4.340 0.004 0.000 0.215 273 L C 2.397 179.223 176.870 -0.073 0.000 1.074 273 L CA 1.729 56.513 54.840 -0.093 0.000 0.760 273 L CB -0.372 41.648 42.059 -0.066 0.000 0.889 273 L HN 0.206 nan 8.230 nan 0.000 0.433 274 L N -1.258 119.937 121.223 -0.047 0.000 2.017 274 L HA -0.185 4.157 4.340 0.004 0.000 0.208 274 L C 2.674 179.526 176.870 -0.030 0.000 1.073 274 L CA 1.078 55.898 54.840 -0.034 0.000 0.745 274 L CB -0.785 41.260 42.059 -0.024 0.000 0.894 274 L HN 0.286 nan 8.230 nan 0.000 0.432 275 E N 0.412 120.597 120.200 -0.026 0.000 2.038 275 E HA -0.219 4.133 4.350 0.004 0.000 0.195 275 E C 2.343 178.934 176.600 -0.016 0.000 1.000 275 E CA 1.241 57.636 56.400 -0.008 0.000 0.803 275 E CB -0.498 29.208 29.700 0.011 0.000 0.750 275 E HN 0.431 nan 8.360 nan 0.000 0.448 276 L N 0.866 122.049 121.223 -0.066 0.000 1.990 276 L HA -0.258 4.084 4.340 0.004 0.000 0.213 276 L C 2.194 179.029 176.870 -0.058 0.000 1.072 276 L CA 1.544 56.327 54.840 -0.095 0.000 0.755 276 L CB -0.513 41.404 42.059 -0.237 0.000 0.889 276 L HN 0.187 nan 8.230 nan 0.000 0.432 277 N N -0.719 117.945 118.700 -0.060 0.000 2.205 277 N HA -0.192 4.550 4.740 0.004 0.000 0.186 277 N C 1.802 177.298 175.510 -0.023 0.000 1.015 277 N CA 1.015 54.040 53.050 -0.042 0.000 0.862 277 N CB -0.135 38.328 38.487 -0.040 0.000 0.986 277 N HN 0.363 nan 8.380 nan 0.000 0.429 278 A N 0.745 123.556 122.820 -0.015 0.000 1.929 278 A HA 0.111 4.433 4.320 0.004 0.000 0.216 278 A C 2.140 179.729 177.584 0.008 0.000 1.176 278 A CA 1.422 53.458 52.037 -0.001 0.000 0.628 278 A CB -0.482 18.520 19.000 0.004 0.000 0.816 278 A HN 0.330 nan 8.150 nan 0.000 0.444 279 A N -1.790 121.035 122.820 0.008 0.000 2.208 279 A HA 0.404 4.726 4.320 0.004 0.000 0.209 279 A C 1.725 179.296 177.584 -0.022 0.000 1.161 279 A CA 1.227 53.269 52.037 0.007 0.000 0.782 279 A CB -0.850 18.167 19.000 0.028 0.000 0.816 279 A HN 1.877 nan 8.150 nan 0.000 0.477 280 G N -0.567 108.222 108.800 -0.020 0.000 2.132 280 G HA2 -0.174 3.788 3.960 0.004 0.000 0.228 280 G HA3 -0.174 3.788 3.960 0.004 0.000 0.228 280 G C -0.029 174.848 174.900 -0.039 0.000 1.000 280 G CA 0.017 45.102 45.100 -0.025 0.000 0.693 280 G HN 0.414 nan 8.290 nan 0.000 0.515 281 I N 1.098 121.644 120.570 -0.039 0.000 2.517 281 I HA 0.216 4.388 4.170 0.004 0.000 0.285 281 I C 1.219 177.311 176.117 -0.041 0.000 1.106 281 I CA -0.161 61.115 61.300 -0.040 0.000 1.402 281 I CB 0.326 38.318 38.000 -0.014 0.000 1.399 281 I HN 0.120 nan 8.210 nan 0.000 0.535 282 R N 4.024 124.503 120.500 -0.034 0.000 2.491 282 R HA 0.302 4.644 4.340 0.004 0.000 0.283 282 R C 0.901 177.180 176.300 -0.034 0.000 1.072 282 R CA 0.354 56.437 56.100 -0.028 0.000 1.048 282 R CB 0.546 30.836 30.300 -0.016 0.000 0.983 282 R HN 0.993 nan 8.270 nan 0.000 0.450 283 G N 1.728 110.504 108.800 -0.040 0.000 2.256 283 G HA2 -0.302 3.660 3.960 0.004 0.000 0.272 283 G HA3 -0.302 3.660 3.960 0.004 0.000 0.272 283 G C 0.780 175.615 174.900 -0.107 0.000 1.076 283 G CA 0.173 45.242 45.100 -0.053 0.000 0.882 283 G HN 0.761 nan 8.290 nan 0.000 0.497 284 A N -0.456 122.297 122.820 -0.112 0.000 1.930 284 A HA 0.131 4.453 4.320 0.004 0.000 0.217 284 A C 2.119 179.606 177.584 -0.162 0.000 1.175 284 A CA 2.184 54.123 52.037 -0.165 0.000 0.627 284 A CB -0.220 18.698 19.000 -0.136 0.000 0.815 284 A HN 0.621 nan 8.150 nan 0.000 0.443 285 E N -0.079 120.058 120.200 -0.105 0.000 2.072 285 E HA -0.164 4.188 4.350 0.004 0.000 0.191 285 E C 1.896 178.452 176.600 -0.074 0.000 0.985 285 E CA 1.287 57.640 56.400 -0.079 0.000 0.801 285 E CB -0.269 29.402 29.700 -0.049 0.000 0.750 285 E HN 0.806 nan 8.360 nan 0.000 0.452 286 E N 0.437 120.593 120.200 -0.073 0.000 2.110 286 E HA -0.173 4.179 4.350 0.004 0.000 0.193 286 E C 1.903 178.440 176.600 -0.106 0.000 0.988 286 E CA 0.817 57.189 56.400 -0.047 0.000 0.804 286 E CB -0.032 29.665 29.700 -0.005 0.000 0.745 286 E HN 0.261 nan 8.360 nan 0.000 0.458 287 I N 0.135 120.535 120.570 -0.283 0.000 2.163 287 I HA -0.251 3.921 4.170 0.004 0.000 0.240 287 I C 2.390 178.380 176.117 -0.212 0.000 1.081 287 I CA 0.704 61.707 61.300 -0.494 0.000 1.353 287 I CB -0.202 37.434 38.000 -0.607 0.000 1.054 287 I HN 0.037 nan 8.210 nan 0.000 0.407 288 V N 1.070 120.876 119.914 -0.181 0.000 2.407 288 V HA -0.224 3.898 4.120 0.004 0.000 0.248 288 V C 2.461 178.540 176.094 -0.025 0.000 1.055 288 V CA 2.174 64.420 62.300 -0.090 0.000 1.049 288 V CB -1.364 30.401 31.823 -0.097 0.000 0.662 288 V HN 0.594 nan 8.190 nan 0.000 0.455 289 G N 0.120 108.906 108.800 -0.024 0.000 2.524 289 G HA2 -0.338 3.624 3.960 0.004 0.000 0.215 289 G HA3 -0.338 3.624 3.960 0.004 0.000 0.215 289 G C 1.413 176.337 174.900 0.039 0.000 1.239 289 G CA 0.950 46.055 45.100 0.008 0.000 0.798 289 G HN 0.542 nan 8.290 nan 0.000 0.557 290 D N 0.446 120.887 120.400 0.069 0.000 2.220 290 D HA -0.130 4.512 4.640 0.004 0.000 0.198 290 D C 1.598 177.971 176.300 0.122 0.000 1.001 290 D CA 0.215 54.289 54.000 0.123 0.000 0.875 290 D CB -0.427 40.523 40.800 0.251 0.000 0.921 290 D HN 0.244 nan 8.370 nan 0.000 0.454 300 L N 4.664 125.974 121.223 0.144 0.000 2.783 300 L HA 0.357 4.700 4.340 0.004 0.000 0.235 300 L C 0.421 177.425 176.870 0.223 0.000 1.260 300 L CA -0.582 54.358 54.840 0.167 0.000 1.184 300 L CB 0.961 43.084 42.059 0.107 0.000 1.472 300 L HN 0.191 nan 8.230 nan 0.000 0.426 301 V N 1.822 121.911 119.914 0.291 0.000 2.509 301 V HA 0.339 4.462 4.120 0.004 0.000 0.284 301 V C 0.734 177.090 176.094 0.436 0.000 1.047 301 V CA -0.451 62.042 62.300 0.321 0.000 0.952 301 V CB 1.532 33.510 31.823 0.259 0.000 0.988 301 V HN 0.606 nan 8.190 nan 0.000 0.469 302 R N 3.482 124.223 120.500 0.401 0.000 2.734 302 R HA 0.081 4.424 4.340 0.004 0.000 0.266 302 R C -0.304 176.176 176.300 0.300 0.000 1.044 302 R CA -0.110 56.177 56.100 0.311 0.000 1.128 302 R CB 0.244 30.526 30.300 -0.028 0.000 1.010 302 R HN 0.780 nan 8.270 nan 0.000 0.461 303 D N 1.914 122.463 120.400 0.248 0.000 2.374 303 D HA 0.003 4.645 4.640 0.004 0.000 0.240 303 D C -0.183 176.124 176.300 0.012 0.000 1.229 303 D CA -0.019 54.007 54.000 0.044 0.000 0.895 303 D CB 0.139 40.930 40.800 -0.016 0.000 1.046 303 D HN 0.330 nan 8.370 nan 0.000 0.498 304 F N 1.731 121.749 119.950 0.112 0.000 2.804 304 F HA 0.030 4.559 4.527 0.004 0.000 0.303 304 F C 2.338 178.193 175.800 0.092 0.000 1.154 304 F CA -0.034 58.076 58.000 0.184 0.000 1.401 304 F CB 0.078 39.324 39.000 0.410 0.000 1.106 304 F HN 0.299 nan 8.300 nan 0.000 0.568 305 S N 0.028 115.797 115.700 0.115 0.000 2.382 305 S HA -0.157 4.315 4.470 0.004 0.000 0.228 305 S C 2.577 177.162 174.600 -0.026 0.000 1.027 305 S CA 1.280 59.483 58.200 0.004 0.000 0.991 305 S CB -0.788 62.397 63.200 -0.026 0.000 0.823 305 S HN 0.542 nan 8.310 nan 0.000 0.469 306 G N 1.335 110.135 108.800 -0.001 0.000 2.440 306 G HA2 -0.094 3.869 3.960 0.004 0.000 0.218 306 G HA3 -0.094 3.869 3.960 0.004 0.000 0.218 306 G C 1.523 176.415 174.900 -0.014 0.000 1.154 306 G CA 0.929 46.023 45.100 -0.010 0.000 0.767 306 G HN 0.585 nan 8.290 nan 0.000 0.552 307 A N 0.208 123.049 122.820 0.034 0.000 1.968 307 A HA 0.115 4.437 4.320 0.004 0.000 0.217 307 A C 2.308 179.908 177.584 0.028 0.000 1.169 307 A CA 1.519 53.613 52.037 0.095 0.000 0.638 307 A CB -0.388 18.756 19.000 0.240 0.000 0.812 307 A HN 0.325 nan 8.150 nan 0.000 0.446 308 R N 0.056 120.408 120.500 -0.247 0.000 2.080 308 R HA -0.174 4.168 4.340 0.004 0.000 0.236 308 R C 2.110 178.242 176.300 -0.280 0.000 1.137 308 R CA 2.030 57.734 56.100 -0.660 0.000 0.943 308 R CB -0.270 29.582 30.300 -0.746 0.000 0.846 308 R HN 0.514 nan 8.270 nan 0.000 0.431 309 K N 0.099 120.399 120.400 -0.165 0.000 2.074 309 K HA -0.211 4.111 4.320 0.004 0.000 0.209 309 K C 2.144 178.701 176.600 -0.071 0.000 1.048 309 K CA 2.009 58.238 56.287 -0.096 0.000 0.926 309 K CB -0.194 32.270 32.500 -0.059 0.000 0.713 309 K HN 0.255 nan 8.250 nan 0.000 0.444 310 M N 0.648 120.213 119.600 -0.058 0.000 2.086 310 M HA -0.185 4.297 4.480 0.004 0.000 0.261 310 M C 1.941 178.201 176.300 -0.066 0.000 1.067 310 M CA 1.592 56.861 55.300 -0.051 0.000 1.116 310 M CB 0.008 32.583 32.600 -0.041 0.000 1.348 310 M HN -0.033 nan 8.290 nan 0.000 0.407 311 V N 0.931 120.818 119.914 -0.045 0.000 2.287 311 V HA -0.299 3.823 4.120 0.004 0.000 0.248 311 V C 2.078 178.139 176.094 -0.055 0.000 1.053 311 V CA 2.332 64.613 62.300 -0.031 0.000 1.027 311 V CB -0.898 30.977 31.823 0.087 0.000 0.646 311 V HN 0.549 nan 8.190 nan 0.000 0.447 312 E N -0.533 119.628 120.200 -0.066 0.000 2.058 312 E HA -0.257 4.095 4.350 0.004 0.000 0.194 312 E C 2.366 178.941 176.600 -0.041 0.000 0.997 312 E CA 1.306 57.674 56.400 -0.054 0.000 0.801 312 E CB -0.180 29.479 29.700 -0.069 0.000 0.746 312 E HN 0.512 nan 8.360 nan 0.000 0.450 313 Q N -0.050 119.724 119.800 -0.044 0.000 2.364 313 Q HA -0.109 4.233 4.340 0.004 0.000 0.209 313 Q C 1.935 177.919 176.000 -0.027 0.000 0.977 313 Q CA 0.840 56.627 55.803 -0.027 0.000 0.885 313 Q CB 0.064 28.788 28.738 -0.023 0.000 0.941 313 Q HN 0.404 nan 8.270 nan 0.000 0.464 314 L N -0.938 120.239 121.223 -0.076 0.000 2.591 314 L HA 0.120 4.462 4.340 0.004 0.000 0.228 314 L C 0.961 177.816 176.870 -0.025 0.000 1.133 314 L CA 0.460 55.223 54.840 -0.128 0.000 0.880 314 L CB -0.283 41.527 42.059 -0.415 0.000 1.033 314 L HN 0.263 nan 8.230 nan 0.000 0.450 315 G N 1.153 109.950 108.800 -0.004 0.000 2.221 315 G HA2 -0.280 3.682 3.960 0.004 0.000 0.265 315 G HA3 -0.280 3.682 3.960 0.004 0.000 0.265 315 G C 0.432 175.345 174.900 0.022 0.000 1.041 315 G CA 0.184 45.299 45.100 0.025 0.000 0.807 315 G HN 0.394 nan 8.290 nan 0.000 0.502 316 L N -0.060 121.158 121.223 -0.009 0.000 2.910 316 L HA 0.247 4.590 4.340 0.004 0.000 0.252 316 L C 1.183 178.072 176.870 0.032 0.000 1.195 316 L CA 0.341 55.184 54.840 0.005 0.000 1.003 316 L CB 0.357 42.391 42.059 -0.041 0.000 1.328 316 L HN 0.291 nan 8.230 nan 0.000 0.540 317 D N -0.898 119.517 120.400 0.024 0.000 2.396 317 D HA 0.013 4.655 4.640 0.004 0.000 0.255 317 D C 0.869 177.194 176.300 0.042 0.000 1.224 317 D CA 0.945 54.965 54.000 0.033 0.000 0.894 317 D CB -0.119 40.682 40.800 0.002 0.000 0.939 317 D HN 0.409 nan 8.370 nan 0.000 0.506 318 D N -1.182 119.247 120.400 0.048 0.000 2.475 318 D HA 0.457 5.099 4.640 0.004 0.000 0.306 318 D C 1.333 177.663 176.300 0.050 0.000 1.304 318 D CA 0.158 54.185 54.000 0.045 0.000 0.862 318 D CB -0.310 40.511 40.800 0.034 0.000 1.306 318 D HN 0.301 nan 8.370 nan 0.000 0.494 319 A N -0.127 122.727 122.820 0.056 0.000 2.197 319 A HA 0.553 4.875 4.320 0.004 0.000 0.210 319 A C 1.186 178.805 177.584 0.059 0.000 1.180 319 A CA 0.724 52.794 52.037 0.055 0.000 0.846 319 A CB 0.384 19.418 19.000 0.056 0.000 0.884 319 A HN 0.985 nan 8.150 nan 0.000 0.487 320 V N 1.326 121.284 119.914 0.075 0.000 2.364 320 V HA 0.318 4.440 4.120 0.004 0.000 0.272 320 V C -0.823 175.319 176.094 0.081 0.000 1.036 320 V CA -0.672 61.675 62.300 0.078 0.000 0.880 320 V CB 1.069 32.949 31.823 0.096 0.000 0.991 320 V HN 0.310 nan 8.190 nan 0.000 0.460 321 D N 6.815 127.250 120.400 0.059 0.000 2.600 321 D HA 0.133 4.775 4.640 0.004 0.000 0.226 321 D C -0.875 175.466 176.300 0.068 0.000 1.119 321 D CA 0.325 54.351 54.000 0.043 0.000 1.051 321 D CB -0.482 40.336 40.800 0.029 0.000 1.106 321 D HN 0.471 nan 8.370 nan 0.000 0.491 322 F N 1.242 121.101 119.950 -0.152 0.000 2.608 322 F HA 0.278 4.807 4.527 0.004 0.000 0.309 322 F C -1.305 174.311 175.800 -0.307 0.000 1.103 322 F CA -1.110 56.722 58.000 -0.280 0.000 0.954 322 F CB 1.752 40.485 39.000 -0.445 0.000 1.267 322 F HN -0.193 nan 8.300 nan 0.000 0.444 323 D N 5.171 124.814 120.400 -1.262 0.000 2.443 323 D HA 0.210 4.852 4.640 0.004 0.000 0.221 323 D C -0.820 174.778 176.300 -1.170 0.000 1.097 323 D CA -0.070 53.408 54.000 -0.869 0.000 0.865 323 D CB 0.391 40.862 40.800 -0.548 0.000 1.034 323 D HN 0.291 nan 8.370 nan 0.000 0.511 324 F N 3.859 123.499 119.950 -0.517 0.000 2.541 324 F HA 0.185 4.714 4.527 0.003 0.000 0.378 324 F C -1.296 174.352 175.800 -0.254 0.000 1.068 324 F CA -1.195 56.661 58.000 -0.240 0.000 1.199 324 F CB 0.249 39.266 39.000 0.028 0.000 1.091 324 F HN 0.175 nan 8.300 nan 0.000 0.555 325 P HA 0.030 nan 4.420 nan 0.000 0.268 325 P C -0.703 176.633 177.300 0.060 0.000 1.205 325 P CA -0.242 62.833 63.100 -0.042 0.000 0.771 325 P CB 0.422 32.113 31.700 -0.016 0.000 0.858 326 E N 1.728 121.936 120.200 0.014 0.000 2.452 326 E HA -0.042 4.310 4.350 0.004 0.000 0.261 326 E C 0.472 177.066 176.600 -0.010 0.000 0.987 326 E CA -0.218 56.183 56.400 0.001 0.000 0.926 326 E CB 0.306 29.993 29.700 -0.020 0.000 0.934 326 E HN 0.345 nan 8.360 nan 0.000 0.452 327 R N 4.078 124.557 120.500 -0.034 0.000 2.494 327 R HA 0.004 4.346 4.340 0.004 0.000 0.291 327 R C -2.267 173.916 176.300 -0.195 0.000 0.953 327 R CA -0.709 55.333 56.100 -0.097 0.000 1.098 327 R CB -0.036 30.204 30.300 -0.100 0.000 0.911 327 R HN 0.152 nan 8.270 nan 0.000 0.407 328 P HA -0.003 nan 4.420 nan 0.000 0.270 328 P C -0.323 176.614 177.300 -0.605 0.000 1.223 328 P CA -0.342 62.409 63.100 -0.580 0.000 0.785 328 P CB 0.668 31.667 31.700 -1.169 0.000 0.923 329 D N 0.702 120.842 120.400 -0.434 0.000 2.178 329 D HA -0.116 4.527 4.640 0.004 0.000 0.201 329 D C 1.472 177.685 176.300 -0.144 0.000 0.980 329 D CA 1.160 55.038 54.000 -0.204 0.000 0.842 329 D CB -0.040 40.732 40.800 -0.047 0.000 0.948 329 D HN 0.533 nan 8.370 nan 0.000 0.472 330 W N 0.657 121.962 121.300 0.009 0.000 2.518 330 W HA 0.155 4.818 4.660 0.004 0.000 0.273 330 W C 1.238 177.760 176.519 0.005 0.000 1.247 330 W CA -0.261 57.085 57.345 0.002 0.000 1.288 330 W CB -1.446 28.011 29.460 -0.006 0.000 1.107 330 W HN -0.182 nan 8.180 nan 0.000 0.586 331 S N 0.000 115.556 115.700 -0.239 0.000 2.498 331 S HA 0.000 4.472 4.470 0.004 0.000 0.327 331 S CA 0.000 58.126 58.200 -0.123 0.000 1.107 331 S CB 0.000 62.989 63.200 -0.352 0.000 0.593 331 S HN 0.000 nan 8.310 nan 0.000 0.517