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 2r6d_1_A DATA FIRST_RESID 10 DATA SEQUENCE PPQSIEAEQA VLGAVFLDPA ALVPASEILI PEDFYRAAHQ KIFHAMLRVA DATA SEQUENCE DRGEPVDLVT VTAELAASEQ LEEIGGVSYL SELADAVPTA ANVEYYARIV DATA SEQUENCE EEKSVLRRLI RTATSIAQDG YTREDEIDVL LDEADRKIME VSQRXXXXAF DATA SEQUENCE KNIKDILVQT YDNIEMLHNR DGEITGIPTG FTELDRMTSG FQRSDLIIVA DATA SEQUENCE ARPSVGKTAF ALNIAQNVAT KTNENVAIFS LEMSAQQLVM RMLCAEGNIN DATA SEQUENCE AQNLRTGKLT PEDWGKLTMA MGSLSNAGIY IDDTPSIRVS DIRAKCRRLK DATA SEQUENCE QESGLGMIVI DYLQLIQGSG RXXXXXXXEV SEISRSLKAL ARELEVPVIA DATA SEQUENCE LSQLSRSVEX XXXXRPMMSD IRESGSIEQD ADIVAFLYXX XXXXXXXXXK DATA SEQUENCE NIIEIIIAKQ RNGPVGTVQL AFIKEYNKFV NL 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.138 177.300 -0.269 0.000 1.155 10 P CA 0.000 63.002 63.100 -0.164 0.000 0.800 10 P CB 0.000 31.606 31.700 -0.156 0.000 0.726 11 P HA 0.380 nan 4.420 nan 0.000 0.282 11 P C -0.738 176.395 177.300 -0.278 0.000 1.262 11 P CA 0.222 63.203 63.100 -0.198 0.000 0.773 11 P CB 1.370 32.998 31.700 -0.119 0.000 0.879 12 Q N 0.542 120.192 119.800 -0.250 0.000 2.578 12 Q HA 0.539 4.879 4.340 0.000 0.000 0.284 12 Q C -1.774 174.148 176.000 -0.130 0.000 0.960 12 Q CA -0.913 54.740 55.803 -0.249 0.000 0.809 12 Q CB 0.900 29.354 28.738 -0.474 0.000 1.462 12 Q HN 0.201 nan 8.270 nan 0.000 0.392 13 S N 2.359 118.013 115.700 -0.078 0.000 2.279 13 S HA 0.288 4.758 4.470 0.000 0.000 0.176 13 S C 0.761 175.365 174.600 0.006 0.000 1.554 13 S CA -0.595 57.584 58.200 -0.034 0.000 1.242 13 S CB 0.236 63.421 63.200 -0.025 0.000 1.163 13 S HN 0.609 nan 8.310 nan 0.000 0.449 14 I N 2.715 123.305 120.570 0.032 0.000 2.163 14 I HA -0.134 4.036 4.170 0.000 0.000 0.243 14 I C 2.516 178.705 176.117 0.120 0.000 1.085 14 I CA 1.422 62.775 61.300 0.090 0.000 1.347 14 I CB -1.165 36.894 38.000 0.098 0.000 1.044 14 I HN 0.644 nan 8.210 nan 0.000 0.408 15 E N 1.193 121.433 120.200 0.068 0.000 2.086 15 E HA -0.288 4.062 4.350 0.000 0.000 0.205 15 E C 2.256 178.864 176.600 0.014 0.000 1.027 15 E CA 2.040 58.464 56.400 0.039 0.000 0.830 15 E CB -0.395 29.315 29.700 0.017 0.000 0.751 15 E HN 0.555 nan 8.360 nan 0.000 0.456 16 A N 1.359 124.190 122.820 0.018 0.000 1.873 16 A HA -0.203 4.117 4.320 0.000 0.000 0.215 16 A C 2.073 179.685 177.584 0.046 0.000 1.186 16 A CA 1.483 53.526 52.037 0.011 0.000 0.616 16 A CB -0.492 18.532 19.000 0.041 0.000 0.823 16 A HN 0.232 nan 8.150 nan 0.000 0.442 17 E N -0.231 120.029 120.200 0.099 0.000 2.065 17 E HA -0.295 4.055 4.350 0.000 0.000 0.201 17 E C 2.291 179.097 176.600 0.343 0.000 1.016 17 E CA 1.704 58.272 56.400 0.280 0.000 0.818 17 E CB -0.304 29.684 29.700 0.481 0.000 0.749 17 E HN 0.695 nan 8.360 nan 0.000 0.453 18 Q N 0.022 119.980 119.800 0.264 0.000 2.133 18 Q HA -0.254 4.086 4.340 0.000 0.000 0.208 18 Q C 2.255 178.258 176.000 0.006 0.000 0.991 18 Q CA 1.462 57.336 55.803 0.118 0.000 0.867 18 Q CB -0.291 28.500 28.738 0.089 0.000 0.911 18 Q HN 0.278 nan 8.270 nan 0.000 0.417 19 A N 0.516 123.297 122.820 -0.064 0.000 1.841 19 A HA -0.195 4.125 4.320 0.000 0.000 0.216 19 A C 2.368 179.944 177.584 -0.013 0.000 1.199 19 A CA 1.891 53.816 52.037 -0.187 0.000 0.621 19 A CB -1.086 17.527 19.000 -0.645 0.000 0.835 19 A HN 0.221 nan 8.150 nan 0.000 0.445 20 V N 0.382 120.365 119.914 0.115 0.000 2.231 20 V HA -0.357 3.763 4.120 0.000 0.000 0.250 20 V C 2.610 178.785 176.094 0.134 0.000 1.058 20 V CA 2.341 64.778 62.300 0.227 0.000 1.022 20 V CB -1.141 30.902 31.823 0.368 0.000 0.640 20 V HN 0.576 nan 8.190 nan 0.000 0.445 21 L N 0.392 121.685 121.223 0.117 0.000 2.012 21 L HA -0.146 4.194 4.340 0.000 0.000 0.210 21 L C 2.690 179.352 176.870 -0.346 0.000 1.073 21 L CA 1.956 56.707 54.840 -0.148 0.000 0.748 21 L CB -1.267 40.686 42.059 -0.177 0.000 0.891 21 L HN 0.510 nan 8.230 nan 0.000 0.431 22 G N -0.632 108.072 108.800 -0.159 0.000 2.402 22 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 22 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 22 G C 1.771 176.659 174.900 -0.021 0.000 1.162 22 G CA 0.722 45.784 45.100 -0.063 0.000 0.777 22 G HN 0.465 nan 8.290 nan 0.000 0.539 23 A N 0.090 122.908 122.820 -0.004 0.000 1.978 23 A HA 0.063 4.383 4.320 0.000 0.000 0.220 23 A C 2.582 180.180 177.584 0.022 0.000 1.170 23 A CA 1.796 53.865 52.037 0.054 0.000 0.636 23 A CB -0.504 18.575 19.000 0.131 0.000 0.810 23 A HN 0.260 nan 8.150 nan 0.000 0.448 24 V N -1.087 118.783 119.914 -0.073 0.000 2.270 24 V HA -0.216 3.904 4.120 0.000 0.000 0.245 24 V C 2.254 178.339 176.094 -0.016 0.000 1.043 24 V CA 1.941 64.173 62.300 -0.112 0.000 1.014 24 V CB -1.006 30.651 31.823 -0.276 0.000 0.645 24 V HN 0.546 nan 8.190 nan 0.000 0.447 25 F N 0.218 120.145 119.950 -0.038 0.000 2.184 25 F HA -0.191 4.336 4.527 0.000 0.000 0.301 25 F C 2.077 177.862 175.800 -0.025 0.000 1.076 25 F CA 1.214 59.189 58.000 -0.041 0.000 1.295 25 F CB -0.959 38.010 39.000 -0.051 0.000 1.026 25 F HN 0.120 nan 8.300 nan 0.000 0.494 26 L N -1.681 119.641 121.223 0.166 0.000 2.209 26 L HA -0.062 4.278 4.340 0.000 0.000 0.207 26 L C 1.897 178.809 176.870 0.070 0.000 1.094 26 L CA 0.988 55.888 54.840 0.100 0.000 0.790 26 L CB -0.511 41.597 42.059 0.082 0.000 0.932 26 L HN -0.011 nan 8.230 nan 0.000 0.447 27 D N 0.421 120.858 120.400 0.062 0.000 2.320 27 D HA 0.003 4.643 4.640 0.000 0.000 0.228 27 D C -0.833 175.487 176.300 0.034 0.000 0.978 27 D CA 0.654 54.680 54.000 0.044 0.000 0.905 27 D CB -0.532 40.292 40.800 0.041 0.000 1.051 27 D HN 0.177 nan 8.370 nan 0.000 0.471 28 P HA 0.379 nan 4.420 nan 0.000 0.259 28 P C -0.199 177.104 177.300 0.005 0.000 1.530 28 P CA 0.155 63.267 63.100 0.020 0.000 1.022 28 P CB 0.536 32.251 31.700 0.024 0.000 1.514 29 A N 0.330 123.158 122.820 0.012 0.000 2.255 29 A HA 0.268 4.588 4.320 0.000 0.000 0.206 29 A C 1.966 179.558 177.584 0.014 0.000 1.193 29 A CA 0.982 53.025 52.037 0.010 0.000 0.794 29 A CB -0.671 18.336 19.000 0.013 0.000 0.794 29 A HN 0.284 nan 8.150 nan 0.000 0.481 30 A N -0.620 122.210 122.820 0.017 0.000 1.975 30 A HA 0.118 4.438 4.320 0.000 0.000 0.215 30 A C 1.848 179.444 177.584 0.020 0.000 1.170 30 A CA 1.140 53.193 52.037 0.028 0.000 0.656 30 A CB -0.375 18.651 19.000 0.042 0.000 0.821 30 A HN 0.619 nan 8.150 nan 0.000 0.449 31 L N 0.250 121.462 121.223 -0.018 0.000 2.265 31 L HA -0.106 4.234 4.340 0.000 0.000 0.215 31 L C 2.147 179.014 176.870 -0.005 0.000 1.117 31 L CA 1.471 56.277 54.840 -0.057 0.000 0.782 31 L CB -0.332 41.644 42.059 -0.138 0.000 0.914 31 L HN 0.189 nan 8.230 nan 0.000 0.441 32 V N 0.090 120.010 119.914 0.010 0.000 2.229 32 V HA -0.116 4.004 4.120 0.000 0.000 0.243 32 V C -0.082 176.042 176.094 0.050 0.000 1.042 32 V CA 1.771 64.087 62.300 0.026 0.000 1.000 32 V CB -2.133 29.700 31.823 0.016 0.000 0.637 32 V HN 0.327 nan 8.190 nan 0.000 0.446 33 P HA -0.080 nan 4.420 nan 0.000 0.222 33 P C 1.551 178.895 177.300 0.074 0.000 1.147 33 P CA 1.701 64.823 63.100 0.037 0.000 0.790 33 P CB -0.117 31.589 31.700 0.011 0.000 0.780 34 A N 0.523 123.420 122.820 0.128 0.000 1.845 34 A HA -0.195 4.125 4.320 0.000 0.000 0.215 34 A C 2.446 180.215 177.584 0.308 0.000 1.195 34 A CA 2.509 54.695 52.037 0.248 0.000 0.616 34 A CB -1.643 17.561 19.000 0.341 0.000 0.832 34 A HN 0.334 nan 8.150 nan 0.000 0.443 35 S N 0.206 116.106 115.700 0.333 0.000 2.399 35 S HA -0.190 4.280 4.470 0.000 0.000 0.231 35 S C 1.470 176.158 174.600 0.147 0.000 1.022 35 S CA 1.458 59.848 58.200 0.317 0.000 0.983 35 S CB -0.647 62.702 63.200 0.249 0.000 0.803 35 S HN 0.653 nan 8.310 nan 0.000 0.480 36 E N 0.444 120.704 120.200 0.099 0.000 2.463 36 E HA 0.068 4.418 4.350 0.000 0.000 0.201 36 E C 1.198 177.818 176.600 0.033 0.000 1.045 36 E CA 0.939 57.372 56.400 0.055 0.000 0.872 36 E CB -0.192 29.531 29.700 0.039 0.000 0.797 36 E HN 0.671 nan 8.360 nan 0.000 0.538 37 I N -0.703 119.888 120.570 0.035 0.000 4.592 37 I HA 0.103 4.273 4.170 0.000 0.000 0.329 37 I C 0.028 176.126 176.117 -0.032 0.000 1.309 37 I CA 0.070 61.369 61.300 -0.002 0.000 1.243 37 I CB 0.871 38.864 38.000 -0.012 0.000 1.241 37 I HN -0.106 nan 8.210 nan 0.000 0.434 38 L N 1.751 122.950 121.223 -0.039 0.000 2.371 38 L HA 0.657 4.997 4.340 0.000 0.000 0.262 38 L C -0.994 175.771 176.870 -0.176 0.000 1.006 38 L CA -0.920 53.825 54.840 -0.159 0.000 0.818 38 L CB 2.659 44.533 42.059 -0.308 0.000 1.354 38 L HN -0.044 nan 8.230 nan 0.000 0.415 39 I N -2.045 118.428 120.570 -0.162 0.000 2.686 39 I HA 0.531 4.701 4.170 0.000 0.000 0.295 39 I C -2.286 173.802 176.117 -0.048 0.000 1.114 39 I CA -2.054 59.193 61.300 -0.088 0.000 1.038 39 I CB 2.063 40.068 38.000 0.009 0.000 1.238 39 I HN 0.246 nan 8.210 nan 0.000 0.420 40 P HA -0.282 nan 4.420 nan 0.000 0.225 40 P C 1.056 178.472 177.300 0.193 0.000 1.154 40 P CA 1.896 65.064 63.100 0.112 0.000 0.933 40 P CB 0.128 31.950 31.700 0.204 0.000 0.790 41 E N -0.989 119.285 120.200 0.124 0.000 2.209 41 E HA -0.183 4.167 4.350 0.000 0.000 0.196 41 E C 1.686 178.350 176.600 0.106 0.000 0.993 41 E CA 1.150 57.612 56.400 0.102 0.000 0.819 41 E CB -0.935 28.803 29.700 0.062 0.000 0.745 41 E HN 0.361 nan 8.360 nan 0.000 0.477 42 D N -0.173 120.271 120.400 0.074 0.000 2.190 42 D HA -0.154 4.486 4.640 0.000 0.000 0.200 42 D C 0.014 176.289 176.300 -0.041 0.000 0.992 42 D CA 0.802 54.786 54.000 -0.027 0.000 0.854 42 D CB -0.205 40.510 40.800 -0.143 0.000 0.936 42 D HN 0.179 nan 8.370 nan 0.000 0.462 43 F N 0.171 120.111 119.950 -0.017 0.000 2.456 43 F HA 0.012 4.539 4.527 0.000 0.000 0.358 43 F C 1.444 177.272 175.800 0.047 0.000 1.095 43 F CA -0.625 57.394 58.000 0.031 0.000 1.216 43 F CB 0.591 39.631 39.000 0.067 0.000 1.125 43 F HN -0.157 nan 8.300 nan 0.000 0.549 44 Y N 3.116 123.449 120.300 0.056 0.000 2.286 44 Y HA 0.133 4.683 4.550 0.000 0.000 0.293 44 Y C 1.149 177.044 175.900 -0.008 0.000 1.124 44 Y CA 0.831 58.932 58.100 0.002 0.000 1.178 44 Y CB 0.101 38.535 38.460 -0.043 0.000 1.010 44 Y HN 0.326 nan 8.280 nan 0.000 0.536 45 R N 0.747 121.153 120.500 -0.156 0.000 2.248 45 R HA 0.287 4.627 4.340 0.000 0.000 0.328 45 R C 1.353 177.587 176.300 -0.109 0.000 1.067 45 R CA 0.352 56.289 56.100 -0.272 0.000 0.924 45 R CB 1.002 31.059 30.300 -0.405 0.000 1.013 45 R HN 0.452 nan 8.270 nan 0.000 0.454 46 A N 4.153 126.887 122.820 -0.144 0.000 1.894 46 A HA -0.351 3.969 4.320 0.000 0.000 0.220 46 A C 2.168 179.760 177.584 0.014 0.000 1.237 46 A CA 2.449 54.447 52.037 -0.066 0.000 0.660 46 A CB -0.861 18.087 19.000 -0.086 0.000 0.835 46 A HN 0.888 nan 8.150 nan 0.000 0.461 47 A N -1.108 121.736 122.820 0.041 0.000 1.915 47 A HA -0.303 4.017 4.320 0.000 0.000 0.220 47 A C 1.990 179.681 177.584 0.177 0.000 1.198 47 A CA 2.026 54.120 52.037 0.094 0.000 0.647 47 A CB -1.263 17.776 19.000 0.065 0.000 0.825 47 A HN 0.826 nan 8.150 nan 0.000 0.456 48 H N -1.687 117.397 119.070 0.023 0.000 2.299 48 H HA -0.158 4.398 4.556 0.000 0.000 0.302 48 H C 2.413 177.616 175.328 -0.208 0.000 1.078 48 H CA 1.415 57.438 56.048 -0.042 0.000 1.323 48 H CB -0.148 29.675 29.762 0.102 0.000 1.381 48 H HN 0.660 nan 8.280 nan 0.000 0.498 49 Q N 1.311 121.132 119.800 0.035 0.000 2.103 49 Q HA -0.232 4.108 4.340 0.000 0.000 0.213 49 Q C 2.148 178.153 176.000 0.009 0.000 1.008 49 Q CA 2.199 58.000 55.803 -0.003 0.000 0.879 49 Q CB 0.075 28.837 28.738 0.041 0.000 0.946 49 Q HN 0.398 nan 8.270 nan 0.000 0.413 50 K N -0.260 120.148 120.400 0.013 0.000 2.063 50 K HA -0.157 4.163 4.320 0.000 0.000 0.208 50 K C 2.064 178.695 176.600 0.052 0.000 1.048 50 K CA 1.554 57.854 56.287 0.022 0.000 0.928 50 K CB -0.181 32.324 32.500 0.007 0.000 0.713 50 K HN 0.277 nan 8.250 nan 0.000 0.442 51 I N 0.146 120.721 120.570 0.007 0.000 2.133 51 I HA -0.271 3.899 4.170 0.000 0.000 0.238 51 I C 2.238 178.320 176.117 -0.058 0.000 1.074 51 I CA 1.265 62.550 61.300 -0.026 0.000 1.342 51 I CB -0.296 37.661 38.000 -0.071 0.000 1.053 51 I HN 0.045 nan 8.210 nan 0.000 0.404 52 F N 0.954 120.740 119.950 -0.274 0.000 2.120 52 F HA -0.341 4.186 4.527 0.000 0.000 0.300 52 F C 2.752 178.488 175.800 -0.107 0.000 1.095 52 F CA 1.955 59.793 58.000 -0.270 0.000 1.249 52 F CB -0.347 38.362 39.000 -0.485 0.000 0.995 52 F HN 0.171 nan 8.300 nan 0.000 0.480 53 H N 0.093 119.239 119.070 0.127 0.000 2.253 53 H HA -0.179 4.377 4.556 -0.000 0.000 0.296 53 H C 2.295 177.631 175.328 0.013 0.000 1.074 53 H CA 1.779 57.886 56.048 0.098 0.000 1.263 53 H CB -0.596 29.203 29.762 0.062 0.000 1.363 53 H HN 0.342 nan 8.280 nan 0.000 0.489 54 A N 1.277 124.195 122.820 0.162 0.000 1.892 54 A HA -0.251 4.069 4.320 0.000 0.000 0.218 54 A C 2.754 180.320 177.584 -0.029 0.000 1.188 54 A CA 2.143 54.228 52.037 0.080 0.000 0.631 54 A CB -1.032 18.013 19.000 0.075 0.000 0.822 54 A HN 0.584 nan 8.150 nan 0.000 0.447 55 M N -0.912 118.630 119.600 -0.096 0.000 2.089 55 M HA -0.200 4.280 4.480 0.000 0.000 0.257 55 M C 2.066 178.241 176.300 -0.209 0.000 1.071 55 M CA 1.963 57.152 55.300 -0.185 0.000 1.096 55 M CB -0.262 32.115 32.600 -0.371 0.000 1.330 55 M HN 0.471 nan 8.290 nan 0.000 0.403 56 L N -0.911 120.164 121.223 -0.247 0.000 2.093 56 L HA -0.192 4.148 4.340 0.000 0.000 0.208 56 L C 2.553 179.338 176.870 -0.141 0.000 1.085 56 L CA 1.212 55.933 54.840 -0.198 0.000 0.755 56 L CB -0.346 41.621 42.059 -0.152 0.000 0.904 56 L HN 0.297 nan 8.230 nan 0.000 0.435 57 R N -0.992 119.423 120.500 -0.142 0.000 2.193 57 R HA -0.125 4.215 4.340 0.000 0.000 0.229 57 R C 1.989 178.261 176.300 -0.046 0.000 1.110 57 R CA 0.861 56.908 56.100 -0.088 0.000 0.988 57 R CB 0.049 30.329 30.300 -0.034 0.000 0.871 57 R HN 0.201 nan 8.270 nan 0.000 0.458 58 V N 0.122 120.007 119.914 -0.049 0.000 2.346 58 V HA -0.125 3.995 4.120 0.000 0.000 0.244 58 V C 2.290 178.362 176.094 -0.037 0.000 1.037 58 V CA 1.681 63.962 62.300 -0.032 0.000 1.029 58 V CB -0.417 31.390 31.823 -0.025 0.000 0.663 58 V HN 0.464 nan 8.190 nan 0.000 0.454 59 A N -0.052 122.734 122.820 -0.056 0.000 1.997 59 A HA -0.328 3.992 4.320 0.000 0.000 0.221 59 A C 1.757 179.322 177.584 -0.032 0.000 1.172 59 A CA 2.336 54.344 52.037 -0.047 0.000 0.645 59 A CB -0.781 18.182 19.000 -0.062 0.000 0.813 59 A HN 0.598 nan 8.150 nan 0.000 0.454 60 D N -1.686 118.694 120.400 -0.033 0.000 2.378 60 D HA 0.054 4.694 4.640 0.000 0.000 0.227 60 D C 1.891 178.182 176.300 -0.014 0.000 1.012 60 D CA 0.484 54.470 54.000 -0.022 0.000 0.905 60 D CB 0.137 40.923 40.800 -0.024 0.000 0.895 60 D HN 0.438 nan 8.370 nan 0.000 0.532 61 R N -0.136 120.356 120.500 -0.013 0.000 1.950 61 R HA 0.484 4.824 4.340 0.000 0.000 0.197 61 R C 0.830 177.126 176.300 -0.007 0.000 1.471 61 R CA 0.798 56.893 56.100 -0.008 0.000 1.156 61 R CB -0.279 30.017 30.300 -0.007 0.000 0.905 61 R HN 0.078 nan 8.270 nan 0.000 0.489 62 G N -0.024 108.772 108.800 -0.007 0.000 2.663 62 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 62 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 62 G C -0.229 174.664 174.900 -0.011 0.000 1.246 62 G CA 0.013 45.109 45.100 -0.007 0.000 0.795 62 G HN 0.521 nan 8.290 nan 0.000 0.627 63 E N -1.158 119.037 120.200 -0.009 0.000 2.642 63 E HA 0.188 4.538 4.350 0.000 0.000 0.206 63 E C -1.203 175.394 176.600 -0.004 0.000 0.939 63 E CA 0.245 56.641 56.400 -0.006 0.000 1.372 63 E CB 0.272 29.970 29.700 -0.005 0.000 1.334 63 E HN 0.559 nan 8.360 nan 0.000 0.709 64 P HA 0.418 nan 4.420 nan 0.000 0.347 64 P C -0.645 176.656 177.300 0.001 0.000 1.277 64 P CA -0.535 62.562 63.100 -0.004 0.000 0.796 64 P CB 0.723 32.422 31.700 -0.002 0.000 1.787 65 V N 1.091 121.009 119.914 0.006 0.000 2.378 65 V HA 0.584 4.704 4.120 0.000 0.000 0.288 65 V C -0.755 175.382 176.094 0.072 0.000 1.016 65 V CA -0.410 61.905 62.300 0.026 0.000 0.840 65 V CB 0.363 32.182 31.823 -0.007 0.000 0.994 65 V HN 0.820 nan 8.190 nan 0.000 0.431 66 D N 2.806 123.260 120.400 0.089 0.000 2.692 66 D HA 0.268 4.908 4.640 0.000 0.000 0.303 66 D C 0.850 177.134 176.300 -0.027 0.000 1.278 66 D CA -0.875 53.171 54.000 0.077 0.000 0.852 66 D CB 0.974 41.779 40.800 0.009 0.000 1.375 66 D HN 0.151 nan 8.370 nan 0.000 0.453 67 L N -0.072 121.000 121.223 -0.252 0.000 1.991 67 L HA -0.238 4.102 4.340 0.000 0.000 0.221 67 L C 2.238 178.995 176.870 -0.189 0.000 1.079 67 L CA 1.917 56.508 54.840 -0.414 0.000 0.778 67 L CB -0.464 41.359 42.059 -0.392 0.000 0.893 67 L HN 0.398 nan 8.230 nan 0.000 0.437 68 V N -1.026 118.821 119.914 -0.113 0.000 2.261 68 V HA -0.313 3.807 4.120 0.000 0.000 0.246 68 V C 2.604 178.679 176.094 -0.032 0.000 1.047 68 V CA 2.358 64.619 62.300 -0.065 0.000 1.015 68 V CB -0.517 31.277 31.823 -0.049 0.000 0.642 68 V HN 0.524 nan 8.190 nan 0.000 0.446 69 T N -0.797 113.748 114.554 -0.016 0.000 2.849 69 T HA -0.145 4.205 4.350 0.000 0.000 0.270 69 T C 1.659 176.371 174.700 0.021 0.000 1.066 69 T CA 1.681 63.783 62.100 0.003 0.000 1.130 69 T CB -0.090 68.783 68.868 0.007 0.000 0.864 69 T HN 0.263 nan 8.240 nan 0.000 0.481 70 V N 1.319 121.258 119.914 0.043 0.000 2.599 70 V HA -0.039 4.081 4.120 0.000 0.000 0.245 70 V C 2.929 179.058 176.094 0.059 0.000 1.046 70 V CA 1.873 64.223 62.300 0.084 0.000 1.065 70 V CB -0.741 31.220 31.823 0.229 0.000 0.703 70 V HN 0.713 nan 8.190 nan 0.000 0.464 71 T N -0.955 113.613 114.554 0.022 0.000 2.915 71 T HA -0.075 4.275 4.350 0.000 0.000 0.269 71 T C 1.907 176.615 174.700 0.012 0.000 1.071 71 T CA 1.415 63.523 62.100 0.013 0.000 1.132 71 T CB -0.271 68.587 68.868 -0.016 0.000 0.878 71 T HN 0.400 nan 8.240 nan 0.000 0.479 72 A N 1.930 124.754 122.820 0.007 0.000 1.858 72 A HA -0.086 4.234 4.320 0.000 0.000 0.216 72 A C 2.285 179.878 177.584 0.014 0.000 1.190 72 A CA 2.009 54.050 52.037 0.007 0.000 0.617 72 A CB -1.045 17.957 19.000 0.003 0.000 0.827 72 A HN 0.584 nan 8.150 nan 0.000 0.443 73 E N -0.247 119.966 120.200 0.021 0.000 2.268 73 E HA -0.065 4.285 4.350 0.000 0.000 0.195 73 E C 1.694 178.313 176.600 0.033 0.000 0.995 73 E CA 0.817 57.234 56.400 0.028 0.000 0.836 73 E CB -0.300 29.419 29.700 0.031 0.000 0.763 73 E HN 0.632 nan 8.360 nan 0.000 0.491 74 L N -0.761 120.482 121.223 0.033 0.000 2.162 74 L HA 0.097 4.437 4.340 0.000 0.000 0.205 74 L C 2.339 179.221 176.870 0.021 0.000 1.086 74 L CA 0.859 55.718 54.840 0.033 0.000 0.778 74 L CB -0.331 41.752 42.059 0.041 0.000 0.928 74 L HN 0.159 nan 8.230 nan 0.000 0.446 75 A N -0.012 122.818 122.820 0.017 0.000 2.066 75 A HA -0.034 4.286 4.320 0.000 0.000 0.218 75 A C 2.476 180.066 177.584 0.010 0.000 1.157 75 A CA 1.341 53.384 52.037 0.010 0.000 0.670 75 A CB -0.486 18.518 19.000 0.007 0.000 0.804 75 A HN 0.363 nan 8.150 nan 0.000 0.453 76 A N 0.397 123.225 122.820 0.013 0.000 1.898 76 A HA -0.036 4.284 4.320 0.000 0.000 0.216 76 A C 2.058 179.650 177.584 0.013 0.000 1.181 76 A CA 1.822 53.867 52.037 0.013 0.000 0.620 76 A CB -0.689 18.321 19.000 0.017 0.000 0.819 76 A HN 0.936 nan 8.150 nan 0.000 0.442 77 S N 0.490 116.199 115.700 0.015 0.000 2.602 77 S HA 0.271 4.741 4.470 0.000 0.000 0.246 77 S C 0.222 174.824 174.600 0.003 0.000 1.009 77 S CA 0.326 58.532 58.200 0.009 0.000 1.052 77 S CB -0.848 62.358 63.200 0.011 0.000 0.778 77 S HN 0.739 nan 8.310 nan 0.000 0.455 78 E N 1.288 121.490 120.200 0.004 0.000 2.122 78 E HA -0.329 4.021 4.350 0.000 0.000 0.198 78 E C -0.306 176.293 176.600 -0.001 0.000 1.352 78 E CA 0.948 57.349 56.400 0.001 0.000 0.705 78 E CB -2.390 27.310 29.700 -0.001 0.000 1.084 78 E HN 0.972 nan 8.360 nan 0.000 0.337 79 Q N -0.301 119.501 119.800 0.003 0.000 3.180 79 Q HA 0.457 4.797 4.340 0.000 0.000 0.317 79 Q C 0.083 176.090 176.000 0.011 0.000 0.824 79 Q CA -0.532 55.271 55.803 0.001 0.000 0.926 79 Q CB 0.645 29.380 28.738 -0.005 0.000 1.487 79 Q HN 0.422 nan 8.270 nan 0.000 0.389 80 L N -0.015 121.215 121.223 0.012 0.000 2.379 80 L HA 0.217 4.557 4.340 0.000 0.000 0.190 80 L C 1.992 178.872 176.870 0.017 0.000 1.111 80 L CA 0.384 55.236 54.840 0.020 0.000 0.820 80 L CB 0.387 42.457 42.059 0.018 0.000 1.046 80 L HN 0.545 nan 8.230 nan 0.000 0.485 81 E N 0.284 120.488 120.200 0.008 0.000 2.510 81 E HA -0.263 4.087 4.350 0.000 0.000 0.202 81 E C 1.448 178.044 176.600 -0.007 0.000 1.072 81 E CA 0.643 57.045 56.400 0.003 0.000 0.883 81 E CB 0.300 30.000 29.700 0.000 0.000 0.818 81 E HN 0.481 nan 8.360 nan 0.000 0.548 82 E N -0.275 119.920 120.200 -0.008 0.000 2.318 82 E HA -0.042 4.308 4.350 0.000 0.000 0.193 82 E C 1.821 178.404 176.600 -0.029 0.000 0.998 82 E CA 0.040 56.429 56.400 -0.018 0.000 0.859 82 E CB 0.271 29.962 29.700 -0.016 0.000 0.812 82 E HN 0.249 nan 8.360 nan 0.000 0.492 83 I N -0.158 120.401 120.570 -0.018 0.000 2.146 83 I HA -0.035 4.135 4.170 0.000 0.000 0.231 83 I C 1.750 177.802 176.117 -0.109 0.000 1.063 83 I CA 1.338 62.615 61.300 -0.037 0.000 1.340 83 I CB -0.221 37.798 38.000 0.032 0.000 1.100 83 I HN 0.157 nan 8.210 nan 0.000 0.403 84 G N -1.184 107.580 108.800 -0.059 0.000 3.551 84 G HA2 0.522 4.482 3.960 0.000 0.000 0.174 84 G HA3 0.522 4.482 3.960 0.000 0.000 0.174 84 G C -0.258 174.651 174.900 0.015 0.000 1.280 84 G CA 0.331 45.396 45.100 -0.059 0.000 1.236 84 G HN 0.487 nan 8.290 nan 0.000 0.731 85 G N -0.967 107.871 108.800 0.064 0.000 2.753 85 G HA2 0.535 4.495 3.960 0.000 0.000 0.285 85 G HA3 0.535 4.495 3.960 0.000 0.000 0.285 85 G C 1.229 176.179 174.900 0.084 0.000 1.344 85 G CA 0.659 45.794 45.100 0.058 0.000 1.050 85 G HN 1.228 nan 8.290 nan 0.000 0.532 86 V N -1.832 118.111 119.914 0.048 0.000 2.759 86 V HA -0.086 4.034 4.120 0.000 0.000 0.256 86 V C 2.416 178.529 176.094 0.031 0.000 1.080 86 V CA 2.189 64.506 62.300 0.030 0.000 1.101 86 V CB -0.782 31.035 31.823 -0.010 0.000 0.698 86 V HN 0.464 nan 8.190 nan 0.000 0.477 87 S N -0.284 115.445 115.700 0.050 0.000 2.419 87 S HA -0.207 4.263 4.470 0.000 0.000 0.235 87 S C 1.715 176.370 174.600 0.092 0.000 1.019 87 S CA 2.094 60.325 58.200 0.052 0.000 0.982 87 S CB -0.628 62.608 63.200 0.059 0.000 0.789 87 S HN 0.820 nan 8.310 nan 0.000 0.490 88 Y N 1.499 121.806 120.300 0.010 0.000 2.448 88 Y HA 0.233 4.783 4.550 -0.000 0.000 0.289 88 Y C 1.652 177.580 175.900 0.047 0.000 1.114 88 Y CA 0.402 58.518 58.100 0.027 0.000 1.235 88 Y CB -0.162 38.315 38.460 0.029 0.000 1.045 88 Y HN 0.121 nan 8.280 nan 0.000 0.554 89 L N -1.222 120.035 121.223 0.058 0.000 2.109 89 L HA -0.170 4.170 4.340 0.000 0.000 0.207 89 L C 2.465 179.288 176.870 -0.078 0.000 1.086 89 L CA 1.239 56.109 54.840 0.050 0.000 0.760 89 L CB -0.656 41.405 42.059 0.004 0.000 0.910 89 L HN 0.051 nan 8.230 nan 0.000 0.437 90 S N -0.204 115.431 115.700 -0.109 0.000 2.354 90 S HA -0.229 4.241 4.470 0.000 0.000 0.219 90 S C 1.828 176.377 174.600 -0.085 0.000 1.035 90 S CA 1.414 59.549 58.200 -0.109 0.000 1.037 90 S CB -0.303 62.853 63.200 -0.072 0.000 0.956 90 S HN 0.398 nan 8.310 nan 0.000 0.428 91 E N 0.847 120.989 120.200 -0.096 0.000 2.086 91 E HA -0.230 4.120 4.350 0.000 0.000 0.205 91 E C 2.103 178.611 176.600 -0.155 0.000 1.027 91 E CA 1.420 57.750 56.400 -0.117 0.000 0.830 91 E CB -0.460 29.158 29.700 -0.137 0.000 0.751 91 E HN 0.366 nan 8.360 nan 0.000 0.456 92 L N 0.269 121.337 121.223 -0.259 0.000 2.021 92 L HA -0.270 4.070 4.340 0.000 0.000 0.215 92 L C 2.537 179.389 176.870 -0.030 0.000 1.074 92 L CA 1.244 55.962 54.840 -0.203 0.000 0.760 92 L CB -0.551 41.387 42.059 -0.202 0.000 0.889 92 L HN 0.197 nan 8.230 nan 0.000 0.433 93 A N -0.909 121.961 122.820 0.083 0.000 2.194 93 A HA -0.277 4.043 4.320 0.000 0.000 0.220 93 A C 1.828 179.430 177.584 0.029 0.000 1.162 93 A CA 2.116 54.220 52.037 0.113 0.000 0.674 93 A CB -0.519 18.538 19.000 0.096 0.000 0.789 93 A HN 0.483 nan 8.150 nan 0.000 0.470 94 D N -0.427 119.968 120.400 -0.010 0.000 2.197 94 D HA 0.172 4.812 4.640 0.000 0.000 0.212 94 D C 1.487 177.775 176.300 -0.020 0.000 0.963 94 D CA 1.151 55.143 54.000 -0.014 0.000 0.864 94 D CB -0.155 40.632 40.800 -0.021 0.000 1.009 94 D HN 0.254 nan 8.370 nan 0.000 0.479 95 A N 0.697 123.494 122.820 -0.038 0.000 2.648 95 A HA 0.352 4.672 4.320 0.000 0.000 0.269 95 A C 0.121 177.653 177.584 -0.086 0.000 1.392 95 A CA -0.190 51.818 52.037 -0.048 0.000 1.019 95 A CB -0.414 18.562 19.000 -0.041 0.000 1.009 95 A HN 0.111 nan 8.150 nan 0.000 0.565 96 V N 0.262 120.135 119.914 -0.067 0.000 2.350 96 V HA 0.425 4.545 4.120 0.000 0.000 0.285 96 V C -1.784 174.298 176.094 -0.020 0.000 1.014 96 V CA -1.683 60.560 62.300 -0.095 0.000 0.831 96 V CB 1.565 33.366 31.823 -0.036 0.000 1.000 96 V HN 0.365 nan 8.190 nan 0.000 0.433 97 P HA 0.042 nan 4.420 nan 0.000 0.214 97 P C 0.164 177.532 177.300 0.114 0.000 1.162 97 P CA 1.213 64.352 63.100 0.064 0.000 0.879 97 P CB 0.029 31.792 31.700 0.105 0.000 0.786 98 T N -4.035 110.646 114.554 0.210 0.000 2.928 98 T HA 0.686 5.036 4.350 0.000 0.000 0.296 98 T C 0.605 175.445 174.700 0.234 0.000 1.000 98 T CA -0.434 61.774 62.100 0.181 0.000 0.989 98 T CB 1.998 70.949 68.868 0.138 0.000 1.005 98 T HN 0.023 nan 8.240 nan 0.000 0.442 99 A N 2.181 125.093 122.820 0.153 0.000 2.067 99 A HA 0.383 4.703 4.320 0.000 0.000 0.219 99 A C 2.317 179.973 177.584 0.119 0.000 1.158 99 A CA 1.177 53.300 52.037 0.143 0.000 0.661 99 A CB -0.873 18.184 19.000 0.095 0.000 0.801 99 A HN 1.213 nan 8.150 nan 0.000 0.452 100 A N -0.309 122.567 122.820 0.093 0.000 2.167 100 A HA -0.007 4.313 4.320 0.000 0.000 0.214 100 A C 1.350 178.961 177.584 0.045 0.000 1.151 100 A CA 0.883 52.956 52.037 0.061 0.000 0.735 100 A CB -0.259 18.772 19.000 0.051 0.000 0.802 100 A HN 0.439 nan 8.150 nan 0.000 0.467 101 N N -0.140 118.574 118.700 0.024 0.000 2.276 101 N HA 0.042 4.782 4.740 0.000 0.000 0.212 101 N C 1.234 176.585 175.510 -0.265 0.000 1.127 101 N CA 0.253 53.224 53.050 -0.133 0.000 0.834 101 N CB 0.606 38.874 38.487 -0.365 0.000 1.014 101 N HN 0.219 nan 8.380 nan 0.000 0.491 102 V N 1.851 121.774 119.914 0.016 0.000 2.380 102 V HA -0.278 3.842 4.120 0.000 0.000 0.251 102 V C 2.058 178.189 176.094 0.062 0.000 1.063 102 V CA 2.168 64.558 62.300 0.150 0.000 1.055 102 V CB -0.063 31.845 31.823 0.140 0.000 0.657 102 V HN 0.469 nan 8.190 nan 0.000 0.455 103 E N -1.929 118.231 120.200 -0.066 0.000 2.216 103 E HA -0.215 4.135 4.350 0.000 0.000 0.192 103 E C 2.054 178.541 176.600 -0.188 0.000 0.988 103 E CA 1.362 57.680 56.400 -0.137 0.000 0.834 103 E CB -0.512 29.051 29.700 -0.229 0.000 0.772 103 E HN 0.708 nan 8.360 nan 0.000 0.479 104 Y N 0.481 120.684 120.300 -0.163 0.000 2.263 104 Y HA -0.095 4.455 4.550 0.000 0.000 0.292 104 Y C 1.916 177.759 175.900 -0.096 0.000 1.130 104 Y CA 1.156 59.154 58.100 -0.170 0.000 1.179 104 Y CB -0.488 37.813 38.460 -0.265 0.000 0.998 104 Y HN 0.069 nan 8.280 nan 0.000 0.532 105 Y N -1.102 119.294 120.300 0.160 0.000 2.293 105 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 105 Y C 2.523 178.444 175.900 0.034 0.000 1.137 105 Y CA 0.221 58.373 58.100 0.087 0.000 1.202 105 Y CB -0.458 38.053 38.460 0.084 0.000 0.990 105 Y HN 0.102 nan 8.280 nan 0.000 0.537 106 A N 0.835 123.752 122.820 0.161 0.000 1.858 106 A HA -0.220 4.100 4.320 0.000 0.000 0.216 106 A C 2.149 179.728 177.584 -0.008 0.000 1.190 106 A CA 1.721 53.792 52.037 0.057 0.000 0.617 106 A CB -0.669 18.359 19.000 0.047 0.000 0.827 106 A HN 0.372 nan 8.150 nan 0.000 0.443 107 R N -0.560 119.939 120.500 -0.001 0.000 2.159 107 R HA -0.094 4.246 4.340 0.000 0.000 0.237 107 R C 1.953 178.252 176.300 -0.002 0.000 1.131 107 R CA 1.203 57.295 56.100 -0.013 0.000 0.982 107 R CB -0.374 29.919 30.300 -0.011 0.000 0.868 107 R HN 0.522 nan 8.270 nan 0.000 0.453 108 I N 0.233 120.824 120.570 0.035 0.000 2.099 108 I HA -0.261 3.909 4.170 0.000 0.000 0.239 108 I C 2.323 178.419 176.117 -0.036 0.000 1.066 108 I CA 1.522 62.837 61.300 0.025 0.000 1.324 108 I CB -1.108 36.938 38.000 0.076 0.000 1.037 108 I HN -0.000 nan 8.210 nan 0.000 0.401 109 V N 0.872 120.738 119.914 -0.079 0.000 2.332 109 V HA -0.251 3.869 4.120 0.000 0.000 0.248 109 V C 2.645 178.631 176.094 -0.179 0.000 1.055 109 V CA 1.952 64.137 62.300 -0.192 0.000 1.038 109 V CB -0.759 30.826 31.823 -0.397 0.000 0.651 109 V HN 0.466 nan 8.190 nan 0.000 0.450 110 E N 0.436 120.552 120.200 -0.141 0.000 2.077 110 E HA -0.244 4.106 4.350 0.000 0.000 0.193 110 E C 2.195 178.751 176.600 -0.074 0.000 0.989 110 E CA 1.611 57.945 56.400 -0.110 0.000 0.800 110 E CB -0.044 29.605 29.700 -0.085 0.000 0.746 110 E HN 0.732 nan 8.360 nan 0.000 0.452 111 E N 0.066 120.232 120.200 -0.056 0.000 2.110 111 E HA -0.154 4.196 4.350 0.000 0.000 0.193 111 E C 1.990 178.561 176.600 -0.048 0.000 0.988 111 E CA 0.857 57.232 56.400 -0.042 0.000 0.804 111 E CB 0.083 29.767 29.700 -0.027 0.000 0.745 111 E HN 0.064 nan 8.360 nan 0.000 0.458 112 K N 0.276 120.638 120.400 -0.062 0.000 2.365 112 K HA -0.009 4.311 4.320 0.000 0.000 0.199 112 K C 2.005 178.567 176.600 -0.063 0.000 1.045 112 K CA 0.465 56.710 56.287 -0.070 0.000 0.962 112 K CB 0.019 32.466 32.500 -0.087 0.000 0.759 112 K HN -0.031 nan 8.250 nan 0.000 0.469 113 S N 0.197 115.860 115.700 -0.061 0.000 2.486 113 S HA 0.013 4.483 4.470 0.000 0.000 0.220 113 S C 1.852 176.436 174.600 -0.026 0.000 1.011 113 S CA 0.090 58.266 58.200 -0.040 0.000 0.921 113 S CB 0.169 63.335 63.200 -0.057 0.000 0.785 113 S HN -0.014 nan 8.310 nan 0.000 0.517 114 V N 2.217 122.112 119.914 -0.031 0.000 2.346 114 V HA -0.028 4.092 4.120 0.000 0.000 0.244 114 V C 2.399 178.481 176.094 -0.020 0.000 1.037 114 V CA 1.302 63.589 62.300 -0.022 0.000 1.029 114 V CB -0.637 31.172 31.823 -0.023 0.000 0.663 114 V HN 0.445 nan 8.190 nan 0.000 0.454 115 L N -0.230 120.977 121.223 -0.027 0.000 1.976 115 L HA -0.316 4.024 4.340 0.000 0.000 0.223 115 L C 2.913 179.769 176.870 -0.023 0.000 1.081 115 L CA 2.225 57.048 54.840 -0.028 0.000 0.784 115 L CB -0.612 41.424 42.059 -0.038 0.000 0.896 115 L HN 0.299 nan 8.230 nan 0.000 0.438 116 R N -0.890 119.594 120.500 -0.026 0.000 2.134 116 R HA -0.262 4.078 4.340 0.000 0.000 0.248 116 R C 2.350 178.650 176.300 0.000 0.000 1.143 116 R CA 1.909 58.001 56.100 -0.014 0.000 0.957 116 R CB -0.414 29.888 30.300 0.003 0.000 0.867 116 R HN 0.387 nan 8.270 nan 0.000 0.441 117 R N 0.468 120.969 120.500 0.001 0.000 2.115 117 R HA -0.101 4.239 4.340 0.000 0.000 0.226 117 R C 2.292 178.593 176.300 0.002 0.000 1.100 117 R CA 0.767 56.870 56.100 0.005 0.000 0.980 117 R CB -0.175 30.128 30.300 0.005 0.000 0.875 117 R HN 0.097 nan 8.270 nan 0.000 0.445 118 L N 1.170 122.391 121.223 -0.003 0.000 1.948 118 L HA -0.179 4.161 4.340 0.000 0.000 0.212 118 L C 1.997 178.866 176.870 -0.001 0.000 1.074 118 L CA 1.774 56.612 54.840 -0.003 0.000 0.753 118 L CB -0.536 41.518 42.059 -0.008 0.000 0.888 118 L HN 0.122 nan 8.230 nan 0.000 0.432 119 I N -0.578 119.989 120.570 -0.005 0.000 2.121 119 I HA -0.448 3.722 4.170 0.000 0.000 0.243 119 I C 2.766 178.884 176.117 0.002 0.000 1.047 119 I CA 1.997 63.294 61.300 -0.004 0.000 1.308 119 I CB -0.541 37.453 38.000 -0.011 0.000 1.015 119 I HN 0.320 nan 8.210 nan 0.000 0.410 120 R N 0.344 120.847 120.500 0.005 0.000 2.075 120 R HA -0.195 4.145 4.340 0.000 0.000 0.230 120 R C 2.549 178.855 176.300 0.010 0.000 1.140 120 R CA 2.544 58.649 56.100 0.010 0.000 0.928 120 R CB -0.581 29.727 30.300 0.014 0.000 0.834 120 R HN 0.582 nan 8.270 nan 0.000 0.429 121 T N -1.713 112.847 114.554 0.010 0.000 2.929 121 T HA -0.040 4.310 4.350 0.000 0.000 0.271 121 T C 1.849 176.556 174.700 0.012 0.000 1.085 121 T CA 1.095 63.202 62.100 0.011 0.000 1.125 121 T CB -0.156 68.717 68.868 0.009 0.000 0.874 121 T HN 0.321 nan 8.240 nan 0.000 0.494 122 A N 1.804 124.631 122.820 0.011 0.000 1.872 122 A HA 0.035 4.355 4.320 0.000 0.000 0.214 122 A C 2.646 180.241 177.584 0.020 0.000 1.187 122 A CA 1.812 53.858 52.037 0.013 0.000 0.614 122 A CB -1.318 17.687 19.000 0.009 0.000 0.826 122 A HN 0.534 nan 8.150 nan 0.000 0.442 123 T N -0.377 114.187 114.554 0.016 0.000 2.833 123 T HA -0.109 4.241 4.350 0.000 0.000 0.269 123 T C 2.119 176.833 174.700 0.024 0.000 1.054 123 T CA 1.562 63.673 62.100 0.018 0.000 1.135 123 T CB -0.287 68.586 68.868 0.008 0.000 0.869 123 T HN 0.431 nan 8.240 nan 0.000 0.466 124 S N 0.265 115.977 115.700 0.021 0.000 2.442 124 S HA 0.035 4.505 4.470 0.000 0.000 0.236 124 S C 1.865 176.485 174.600 0.034 0.000 1.007 124 S CA 0.514 58.728 58.200 0.024 0.000 0.965 124 S CB -0.450 62.761 63.200 0.018 0.000 0.773 124 S HN 0.464 nan 8.310 nan 0.000 0.504 125 I N 0.919 121.510 120.570 0.035 0.000 2.339 125 I HA -0.023 4.147 4.170 0.000 0.000 0.245 125 I C 2.765 178.923 176.117 0.069 0.000 1.096 125 I CA 0.831 62.156 61.300 0.041 0.000 1.408 125 I CB -0.698 37.319 38.000 0.029 0.000 1.092 125 I HN 0.299 nan 8.210 nan 0.000 0.423 126 A N 0.797 123.665 122.820 0.080 0.000 1.859 126 A HA -0.352 3.968 4.320 0.000 0.000 0.217 126 A C 2.248 179.960 177.584 0.214 0.000 1.198 126 A CA 2.435 54.558 52.037 0.142 0.000 0.629 126 A CB -0.957 18.108 19.000 0.108 0.000 0.830 126 A HN 0.440 nan 8.150 nan 0.000 0.446 127 Q N -0.290 119.577 119.800 0.112 0.000 2.217 127 Q HA -0.244 4.096 4.340 0.000 0.000 0.209 127 Q C 1.360 177.450 176.000 0.150 0.000 0.988 127 Q CA 2.355 58.208 55.803 0.083 0.000 0.878 127 Q CB -0.398 28.355 28.738 0.026 0.000 0.909 127 Q HN 0.642 nan 8.270 nan 0.000 0.424 128 D N -1.315 119.161 120.400 0.126 0.000 2.149 128 D HA -0.006 4.634 4.640 0.000 0.000 0.201 128 D C 1.225 177.590 176.300 0.108 0.000 0.972 128 D CA 1.292 55.350 54.000 0.097 0.000 0.835 128 D CB -0.504 40.329 40.800 0.054 0.000 0.966 128 D HN 0.434 nan 8.370 nan 0.000 0.476 129 G N -1.337 107.531 108.800 0.113 0.000 3.094 129 G HA2 -0.133 3.827 3.960 0.000 0.000 0.208 129 G HA3 -0.133 3.827 3.960 0.000 0.000 0.208 129 G C 0.486 175.267 174.900 -0.199 0.000 1.189 129 G CA 0.294 45.369 45.100 -0.042 0.000 0.856 129 G HN 0.277 nan 8.290 nan 0.000 0.510 130 Y N -1.156 119.144 120.300 0.000 0.000 2.572 130 Y HA 0.073 4.623 4.550 -0.000 0.000 0.274 130 Y C 2.827 178.727 175.900 0.000 0.000 1.135 130 Y CA 0.698 58.798 58.100 0.000 0.000 1.230 130 Y CB 0.097 38.557 38.460 0.000 0.000 1.293 130 Y HN 0.218 nan 8.280 nan 0.000 0.501 131 T N -0.992 113.656 114.554 0.157 0.000 2.852 131 T HA 0.122 4.472 4.350 0.000 0.000 0.256 131 T C 0.946 175.675 174.700 0.049 0.000 1.038 131 T CA 0.207 62.358 62.100 0.085 0.000 1.141 131 T CB -0.216 68.691 68.868 0.066 0.000 0.869 131 T HN -0.061 nan 8.240 nan 0.000 0.439 132 R N 1.150 121.673 120.500 0.038 0.000 2.490 132 R HA 0.564 4.904 4.340 0.000 0.000 0.278 132 R C 0.373 176.674 176.300 0.000 0.000 1.069 132 R CA -0.026 56.083 56.100 0.016 0.000 1.080 132 R CB 0.684 30.992 30.300 0.013 0.000 1.030 132 R HN 0.452 nan 8.270 nan 0.000 0.491 133 E N -0.002 120.195 120.200 -0.005 0.000 2.371 133 E HA -0.010 4.340 4.350 0.000 0.000 0.174 133 E C -0.765 175.827 176.600 -0.013 0.000 0.913 133 E CA 0.059 56.450 56.400 -0.016 0.000 1.371 133 E CB 0.523 30.212 29.700 -0.018 0.000 1.791 133 E HN 0.692 nan 8.360 nan 0.000 0.765 134 D N -0.807 119.588 120.400 -0.008 0.000 2.298 134 D HA -0.145 4.495 4.640 0.000 0.000 0.235 134 D C 0.966 177.264 176.300 -0.003 0.000 1.073 134 D CA 2.102 56.100 54.000 -0.003 0.000 1.654 134 D CB -0.517 40.284 40.800 0.001 0.000 1.389 134 D HN 0.219 nan 8.370 nan 0.000 0.662 135 E N -1.182 119.015 120.200 -0.006 0.000 3.590 135 E HA 0.277 4.627 4.350 0.000 0.000 0.223 135 E C 1.238 177.834 176.600 -0.008 0.000 1.195 135 E CA 0.253 56.651 56.400 -0.005 0.000 1.670 135 E CB 1.554 31.253 29.700 -0.001 0.000 1.578 135 E HN 0.103 nan 8.360 nan 0.000 0.763 136 I N 0.789 121.353 120.570 -0.011 0.000 4.817 136 I HA -0.470 3.700 4.170 0.000 0.000 0.041 136 I C 1.168 177.278 176.117 -0.010 0.000 0.632 136 I CA 2.281 63.572 61.300 -0.014 0.000 0.510 136 I CB -1.992 35.998 38.000 -0.016 0.000 0.512 136 I HN 0.206 nan 8.210 nan 0.000 0.153 137 D N 1.416 121.811 120.400 -0.008 0.000 2.263 137 D HA 0.019 4.659 4.640 0.000 0.000 0.208 137 D C 2.182 178.480 176.300 -0.004 0.000 0.971 137 D CA 1.433 55.429 54.000 -0.006 0.000 0.867 137 D CB 0.024 40.821 40.800 -0.005 0.000 0.929 137 D HN 0.456 nan 8.370 nan 0.000 0.492 138 V N 0.639 120.551 119.914 -0.003 0.000 2.346 138 V HA -0.127 3.993 4.120 0.000 0.000 0.244 138 V C 2.654 178.748 176.094 -0.000 0.000 1.037 138 V CA 0.693 62.992 62.300 -0.001 0.000 1.029 138 V CB -0.352 31.471 31.823 0.000 0.000 0.663 138 V HN 0.164 nan 8.190 nan 0.000 0.454 139 L N -0.538 120.684 121.223 -0.002 0.000 1.990 139 L HA -0.246 4.094 4.340 0.000 0.000 0.213 139 L C 2.382 179.251 176.870 -0.002 0.000 1.072 139 L CA 1.836 56.675 54.840 -0.001 0.000 0.755 139 L CB -0.306 41.750 42.059 -0.005 0.000 0.889 139 L HN 0.302 nan 8.230 nan 0.000 0.432 140 L N -0.915 120.305 121.223 -0.005 0.000 2.362 140 L HA -0.204 4.136 4.340 0.000 0.000 0.219 140 L C 1.870 178.739 176.870 -0.002 0.000 1.134 140 L CA 0.662 55.499 54.840 -0.005 0.000 0.807 140 L CB -0.307 41.748 42.059 -0.007 0.000 0.927 140 L HN 0.321 nan 8.230 nan 0.000 0.447 141 D N -0.266 120.133 120.400 -0.001 0.000 2.201 141 D HA -0.142 4.498 4.640 0.000 0.000 0.209 141 D C 1.885 178.186 176.300 0.002 0.000 0.961 141 D CA 1.066 55.066 54.000 0.000 0.000 0.861 141 D CB 0.218 41.018 40.800 0.000 0.000 0.997 141 D HN 0.510 nan 8.370 nan 0.000 0.486 142 E N 0.534 120.735 120.200 0.003 0.000 2.427 142 E HA 0.052 4.402 4.350 0.000 0.000 0.196 142 E C 1.774 178.377 176.600 0.006 0.000 1.028 142 E CA 0.572 56.975 56.400 0.005 0.000 0.864 142 E CB 0.100 29.804 29.700 0.006 0.000 0.813 142 E HN 0.072 nan 8.360 nan 0.000 0.514 143 A N 2.159 124.982 122.820 0.004 0.000 1.873 143 A HA -0.188 4.132 4.320 0.000 0.000 0.215 143 A C 1.843 179.429 177.584 0.004 0.000 1.186 143 A CA 1.626 53.666 52.037 0.005 0.000 0.616 143 A CB -0.340 18.661 19.000 0.003 0.000 0.823 143 A HN 0.192 nan 8.150 nan 0.000 0.442 144 D N -0.642 119.759 120.400 0.002 0.000 2.077 144 D HA -0.170 4.470 4.640 0.000 0.000 0.193 144 D C 2.068 178.370 176.300 0.002 0.000 0.989 144 D CA 1.391 55.392 54.000 0.001 0.000 0.831 144 D CB -0.452 40.348 40.800 0.000 0.000 0.979 144 D HN 0.410 nan 8.370 nan 0.000 0.449 145 R N 1.125 121.627 120.500 0.003 0.000 2.196 145 R HA -0.243 4.097 4.340 0.000 0.000 0.244 145 R C 2.196 178.498 176.300 0.004 0.000 1.121 145 R CA 2.073 58.176 56.100 0.004 0.000 0.930 145 R CB -0.072 30.230 30.300 0.004 0.000 0.890 145 R HN 0.095 nan 8.270 nan 0.000 0.435 146 K N -0.390 120.014 120.400 0.006 0.000 2.103 146 K HA -0.142 4.178 4.320 0.000 0.000 0.207 146 K C 2.087 178.690 176.600 0.005 0.000 1.048 146 K CA 1.288 57.579 56.287 0.007 0.000 0.930 146 K CB -0.057 32.448 32.500 0.009 0.000 0.716 146 K HN 0.309 nan 8.250 nan 0.000 0.444 147 I N 0.731 121.303 120.570 0.004 0.000 2.277 147 I HA -0.162 4.008 4.170 0.000 0.000 0.243 147 I C 2.182 178.300 176.117 0.001 0.000 1.094 147 I CA 0.956 62.258 61.300 0.002 0.000 1.393 147 I CB -0.528 37.473 38.000 0.002 0.000 1.078 147 I HN 0.214 nan 8.210 nan 0.000 0.417 148 M N 0.010 119.610 119.600 0.001 0.000 2.446 148 M HA -0.183 4.297 4.480 0.000 0.000 0.263 148 M C 1.647 177.948 176.300 0.001 0.000 1.066 148 M CA 1.192 56.492 55.300 0.000 0.000 1.087 148 M CB -0.998 31.602 32.600 0.000 0.000 1.406 148 M HN 0.243 nan 8.290 nan 0.000 0.459 149 E N -0.308 119.893 120.200 0.002 0.000 2.502 149 E HA -0.019 4.331 4.350 0.000 0.000 0.194 149 E C 1.634 178.235 176.600 0.002 0.000 1.062 149 E CA -0.064 56.338 56.400 0.003 0.000 0.867 149 E CB 0.420 30.123 29.700 0.005 0.000 0.888 149 E HN 0.222 nan 8.360 nan 0.000 0.510 150 V N -0.909 119.006 119.914 0.000 0.000 2.672 150 V HA -0.093 4.027 4.120 0.000 0.000 0.242 150 V C 2.073 178.165 176.094 -0.004 0.000 1.059 150 V CA 0.978 63.277 62.300 -0.002 0.000 1.081 150 V CB 0.232 32.054 31.823 -0.003 0.000 0.752 150 V HN 0.190 nan 8.190 nan 0.000 0.472 151 S N -0.404 115.293 115.700 -0.004 0.000 2.374 151 S HA -0.307 4.163 4.470 0.000 0.000 0.227 151 S C 1.958 176.554 174.600 -0.007 0.000 1.037 151 S CA 2.207 60.403 58.200 -0.007 0.000 1.024 151 S CB -0.121 63.076 63.200 -0.006 0.000 0.861 151 S HN 0.671 nan 8.310 nan 0.000 0.456 152 Q N 0.840 120.637 119.800 -0.004 0.000 1.889 152 Q HA -0.102 4.239 4.340 0.000 0.000 0.211 152 Q C 1.331 177.329 176.000 -0.003 0.000 0.988 152 Q CA 1.285 57.087 55.803 -0.002 0.000 0.861 152 Q CB -0.269 28.471 28.738 0.002 0.000 0.922 152 Q HN 0.638 nan 8.270 nan 0.000 0.425 159 F N 1.280 121.227 119.950 -0.006 0.000 2.375 159 F HA 0.650 5.177 4.527 0.000 0.000 0.333 159 F C 0.425 176.223 175.800 -0.003 0.000 1.104 159 F CA -0.569 57.428 58.000 -0.004 0.000 1.149 159 F CB 1.183 40.181 39.000 -0.003 0.000 1.190 159 F HN 0.208 nan 8.300 nan 0.000 0.533 160 K N 3.459 124.129 120.400 0.449 0.000 2.376 160 K HA 0.330 4.650 4.320 0.000 0.000 0.257 160 K C -1.372 175.232 176.600 0.006 0.000 0.939 160 K CA -0.735 55.653 56.287 0.169 0.000 0.809 160 K CB 1.155 33.775 32.500 0.200 0.000 1.121 160 K HN 0.676 nan 8.250 nan 0.000 0.425 161 N N 4.247 122.931 118.700 -0.026 0.000 2.354 161 N HA 0.148 4.888 4.740 0.000 0.000 0.287 161 N C 0.686 176.174 175.510 -0.036 0.000 1.016 161 N CA -0.496 52.510 53.050 -0.074 0.000 0.871 161 N CB 0.905 39.337 38.487 -0.093 0.000 1.299 161 N HN 0.476 nan 8.380 nan 0.000 0.482 162 I N 3.154 123.701 120.570 -0.039 0.000 2.404 162 I HA -0.488 3.682 4.170 0.000 0.000 0.236 162 I C 2.238 178.348 176.117 -0.010 0.000 0.953 162 I CA 2.304 63.593 61.300 -0.020 0.000 1.253 162 I CB -0.603 37.382 38.000 -0.026 0.000 0.960 162 I HN 0.895 nan 8.210 nan 0.000 0.402 163 K N -0.313 120.077 120.400 -0.017 0.000 2.318 163 K HA -0.250 4.070 4.320 0.000 0.000 0.204 163 K C 1.087 177.688 176.600 0.001 0.000 1.044 163 K CA 2.182 58.463 56.287 -0.011 0.000 0.932 163 K CB -0.556 31.935 32.500 -0.015 0.000 0.734 163 K HN 0.519 nan 8.250 nan 0.000 0.473 164 D N 0.532 120.936 120.400 0.007 0.000 2.431 164 D HA 0.090 4.730 4.640 0.000 0.000 0.227 164 D C 2.022 178.337 176.300 0.025 0.000 1.030 164 D CA 0.451 54.461 54.000 0.018 0.000 0.897 164 D CB -0.090 40.721 40.800 0.018 0.000 1.058 164 D HN 0.280 nan 8.370 nan 0.000 0.500 165 I N 0.648 121.232 120.570 0.022 0.000 2.454 165 I HA -0.149 4.021 4.170 0.000 0.000 0.254 165 I C 1.961 178.099 176.117 0.034 0.000 1.156 165 I CA 0.924 62.240 61.300 0.027 0.000 1.433 165 I CB -0.135 37.880 38.000 0.024 0.000 1.082 165 I HN -0.113 nan 8.210 nan 0.000 0.432 166 L N -0.287 120.955 121.223 0.031 0.000 2.607 166 L HA 0.062 4.402 4.340 0.000 0.000 0.228 166 L C 2.099 179.012 176.870 0.072 0.000 1.123 166 L CA -0.097 54.769 54.840 0.043 0.000 0.890 166 L CB 0.392 42.460 42.059 0.015 0.000 1.103 166 L HN 0.008 nan 8.230 nan 0.000 0.468 167 V N -0.706 119.245 119.914 0.062 0.000 2.407 167 V HA -0.212 3.908 4.120 0.000 0.000 0.245 167 V C 2.233 178.382 176.094 0.093 0.000 1.041 167 V CA 1.479 63.829 62.300 0.083 0.000 1.040 167 V CB -0.124 31.731 31.823 0.053 0.000 0.671 167 V HN 0.422 nan 8.190 nan 0.000 0.455 168 Q N -0.041 119.796 119.800 0.061 0.000 2.020 168 Q HA -0.133 4.207 4.340 0.000 0.000 0.198 168 Q C 2.131 178.162 176.000 0.051 0.000 0.974 168 Q CA 1.915 57.745 55.803 0.045 0.000 0.829 168 Q CB -0.312 28.444 28.738 0.031 0.000 0.894 168 Q HN 0.568 nan 8.270 nan 0.000 0.433 169 T N 0.277 114.868 114.554 0.061 0.000 3.093 169 T HA -0.166 4.184 4.350 0.000 0.000 0.270 169 T C 0.554 175.329 174.700 0.125 0.000 1.170 169 T CA 0.883 63.023 62.100 0.067 0.000 1.072 169 T CB -0.234 68.668 68.868 0.057 0.000 0.863 169 T HN 0.320 nan 8.240 nan 0.000 0.562 170 Y N 1.141 121.435 120.300 -0.011 0.000 2.447 170 Y HA 0.184 4.734 4.550 -0.000 0.000 0.286 170 Y C 1.992 177.880 175.900 -0.021 0.000 1.153 170 Y CA 0.171 58.259 58.100 -0.020 0.000 1.241 170 Y CB -0.394 38.054 38.460 -0.020 0.000 1.284 170 Y HN 0.041 nan 8.280 nan 0.000 0.520 171 D N 0.344 120.671 120.400 -0.122 0.000 2.172 171 D HA -0.228 4.412 4.640 0.000 0.000 0.196 171 D C 1.544 177.740 176.300 -0.173 0.000 0.999 171 D CA 1.900 55.787 54.000 -0.187 0.000 0.856 171 D CB -0.183 40.588 40.800 -0.048 0.000 0.934 171 D HN 0.312 nan 8.370 nan 0.000 0.453 172 N N -0.064 118.577 118.700 -0.097 0.000 2.025 172 N HA -0.111 4.629 4.740 0.000 0.000 0.194 172 N C 1.566 177.012 175.510 -0.107 0.000 1.044 172 N CA 0.817 53.827 53.050 -0.068 0.000 0.851 172 N CB -0.368 38.107 38.487 -0.021 0.000 1.036 172 N HN 0.237 nan 8.380 nan 0.000 0.422 173 I N 1.471 121.960 120.570 -0.135 0.000 3.102 173 I HA -0.190 3.980 4.170 0.000 0.000 0.278 173 I C 1.761 177.696 176.117 -0.304 0.000 1.316 173 I CA 1.051 62.257 61.300 -0.157 0.000 1.425 173 I CB -1.385 36.568 38.000 -0.078 0.000 1.073 173 I HN 0.383 nan 8.210 nan 0.000 0.503 174 E N 1.109 121.104 120.200 -0.341 0.000 2.079 174 E HA -0.084 4.266 4.350 0.000 0.000 0.191 174 E C 2.146 178.686 176.600 -0.100 0.000 0.961 174 E CA 0.462 56.684 56.400 -0.297 0.000 0.823 174 E CB -0.609 28.890 29.700 -0.336 0.000 0.789 174 E HN 0.235 nan 8.360 nan 0.000 0.459 175 M N 0.711 120.268 119.600 -0.073 0.000 2.146 175 M HA -0.179 4.301 4.480 0.000 0.000 0.256 175 M C 2.183 178.512 176.300 0.049 0.000 1.075 175 M CA 1.554 56.847 55.300 -0.011 0.000 1.082 175 M CB -0.648 31.942 32.600 -0.017 0.000 1.355 175 M HN 0.180 nan 8.290 nan 0.000 0.402 176 L N -1.405 119.878 121.223 0.099 0.000 2.263 176 L HA -0.254 4.086 4.340 0.000 0.000 0.216 176 L C 2.071 179.050 176.870 0.182 0.000 1.111 176 L CA 1.203 56.143 54.840 0.167 0.000 0.773 176 L CB -0.847 41.362 42.059 0.250 0.000 0.906 176 L HN 0.473 nan 8.230 nan 0.000 0.439 177 H N -2.803 116.250 119.070 -0.028 0.000 2.788 177 H HA 0.067 4.623 4.556 -0.000 0.000 0.262 177 H C 1.684 176.999 175.328 -0.021 0.000 0.968 177 H CA 0.013 56.049 56.048 -0.021 0.000 1.218 177 H CB 0.400 30.148 29.762 -0.023 0.000 1.443 177 H HN 0.256 nan 8.280 nan 0.000 0.478 178 N N 1.557 120.317 118.700 0.100 0.000 2.106 178 N HA -0.145 4.595 4.740 0.000 0.000 0.188 178 N C 1.321 176.847 175.510 0.026 0.000 1.029 178 N CA 0.691 53.765 53.050 0.040 0.000 0.848 178 N CB 0.195 38.688 38.487 0.010 0.000 1.007 178 N HN 0.103 nan 8.380 nan 0.000 0.423 179 R N 0.932 121.446 120.500 0.022 0.000 2.724 179 R HA -0.254 4.086 4.340 0.000 0.000 0.397 179 R C -0.266 176.036 176.300 0.004 0.000 0.893 179 R CA 1.721 57.826 56.100 0.009 0.000 0.277 179 R CB -2.085 28.216 30.300 0.001 0.000 0.596 179 R HN 0.416 nan 8.270 nan 0.000 0.234 180 D N 0.063 120.463 120.400 0.001 0.000 4.055 180 D HA -0.113 4.527 4.640 0.000 0.000 0.198 180 D C 0.870 177.169 176.300 -0.001 0.000 1.089 180 D CA 1.861 55.861 54.000 -0.001 0.000 1.033 180 D CB -0.890 39.911 40.800 0.002 0.000 0.876 180 D HN 0.740 nan 8.370 nan 0.000 0.468 181 G N 1.733 110.531 108.800 -0.004 0.000 4.362 181 G HA2 -0.083 3.877 3.960 0.000 0.000 0.220 181 G HA3 -0.083 3.877 3.960 0.000 0.000 0.220 181 G C -0.047 174.847 174.900 -0.011 0.000 0.795 181 G CA 0.004 45.099 45.100 -0.008 0.000 0.920 181 G HN 0.505 nan 8.290 nan 0.000 0.715 182 E N 1.318 121.513 120.200 -0.008 0.000 2.265 182 E HA 0.423 4.773 4.350 0.000 0.000 0.272 182 E C -0.156 176.436 176.600 -0.013 0.000 1.067 182 E CA -0.534 55.860 56.400 -0.009 0.000 0.900 182 E CB 1.028 30.725 29.700 -0.006 0.000 1.017 182 E HN 0.280 nan 8.360 nan 0.000 0.431 183 I N 4.549 125.108 120.570 -0.018 0.000 2.293 183 I HA -0.063 4.107 4.170 0.000 0.000 0.299 183 I C 1.579 177.687 176.117 -0.016 0.000 1.153 183 I CA 0.007 61.292 61.300 -0.024 0.000 1.302 183 I CB 0.494 38.472 38.000 -0.036 0.000 1.460 183 I HN 0.750 nan 8.210 nan 0.000 0.552 184 T N 4.058 118.607 114.554 -0.008 0.000 2.812 184 T HA 0.009 4.359 4.350 0.000 0.000 0.264 184 T C 1.249 175.953 174.700 0.006 0.000 1.042 184 T CA 1.324 63.424 62.100 0.000 0.000 1.140 184 T CB -0.004 68.867 68.868 0.006 0.000 0.870 184 T HN 0.701 nan 8.240 nan 0.000 0.445 185 G N 1.299 110.105 108.800 0.010 0.000 2.666 185 G HA2 0.453 4.413 3.960 0.000 0.000 0.207 185 G HA3 0.453 4.413 3.960 0.000 0.000 0.207 185 G C -0.287 174.623 174.900 0.017 0.000 1.481 185 G CA -0.606 44.510 45.100 0.026 0.000 1.071 185 G HN 0.354 nan 8.290 nan 0.000 0.572 186 I N 2.563 123.157 120.570 0.040 0.000 2.325 186 I HA 0.259 4.429 4.170 0.000 0.000 0.291 186 I C -1.979 174.123 176.117 -0.025 0.000 1.019 186 I CA -2.823 58.493 61.300 0.027 0.000 1.302 186 I CB 0.674 38.719 38.000 0.075 0.000 1.401 186 I HN 0.169 nan 8.210 nan 0.000 0.485 187 P HA 0.168 nan 4.420 nan 0.000 0.271 187 P C 0.444 177.667 177.300 -0.128 0.000 1.216 187 P CA -0.084 62.957 63.100 -0.099 0.000 0.776 187 P CB 0.824 32.477 31.700 -0.079 0.000 0.881 188 T N 0.624 115.062 114.554 -0.192 0.000 3.014 188 T HA 0.150 4.500 4.350 0.000 0.000 0.263 188 T C 1.451 175.971 174.700 -0.300 0.000 1.078 188 T CA 1.034 63.015 62.100 -0.199 0.000 1.135 188 T CB -0.460 68.299 68.868 -0.181 0.000 0.895 188 T HN 0.704 nan 8.240 nan 0.000 0.480 189 G N 1.296 109.912 108.800 -0.306 0.000 2.284 189 G HA2 -0.211 3.749 3.960 0.000 0.000 0.230 189 G HA3 -0.211 3.749 3.960 0.000 0.000 0.230 189 G C 0.083 174.683 174.900 -0.500 0.000 1.021 189 G CA -0.500 44.327 45.100 -0.456 0.000 0.619 189 G HN 0.538 nan 8.290 nan 0.000 0.510 190 F N 2.855 122.786 119.950 -0.032 0.000 2.335 190 F HA 0.420 4.947 4.527 -0.000 0.000 0.365 190 F C 1.985 177.770 175.800 -0.024 0.000 1.122 190 F CA 0.142 58.142 58.000 0.001 0.000 1.151 190 F CB 1.256 40.282 39.000 0.043 0.000 1.282 190 F HN 0.127 nan 8.300 nan 0.000 0.513 191 T N -1.922 112.703 114.554 0.119 0.000 2.803 191 T HA -0.249 4.101 4.350 0.000 0.000 0.269 191 T C 1.569 176.301 174.700 0.052 0.000 1.052 191 T CA 1.688 63.818 62.100 0.050 0.000 1.136 191 T CB -0.181 68.709 68.868 0.036 0.000 0.864 191 T HN 0.615 nan 8.240 nan 0.000 0.467 192 E N 0.114 120.366 120.200 0.087 0.000 2.216 192 E HA 0.088 4.438 4.350 0.000 0.000 0.192 192 E C 1.930 178.555 176.600 0.043 0.000 0.988 192 E CA 0.234 56.667 56.400 0.055 0.000 0.834 192 E CB -0.121 29.614 29.700 0.057 0.000 0.772 192 E HN 0.417 nan 8.360 nan 0.000 0.479 193 L N 0.937 122.203 121.223 0.070 0.000 2.109 193 L HA -0.101 4.239 4.340 0.000 0.000 0.207 193 L C 1.359 178.204 176.870 -0.042 0.000 1.086 193 L CA 1.729 56.588 54.840 0.031 0.000 0.760 193 L CB -0.130 41.976 42.059 0.078 0.000 0.910 193 L HN -0.004 nan 8.230 nan 0.000 0.437 194 D N -0.447 119.923 120.400 -0.050 0.000 2.178 194 D HA -0.163 4.477 4.640 0.000 0.000 0.201 194 D C 2.268 178.536 176.300 -0.054 0.000 0.980 194 D CA 0.774 54.720 54.000 -0.090 0.000 0.842 194 D CB -0.069 40.684 40.800 -0.077 0.000 0.948 194 D HN 0.317 nan 8.370 nan 0.000 0.472 195 R N -0.305 120.180 120.500 -0.026 0.000 2.080 195 R HA -0.077 4.263 4.340 0.000 0.000 0.236 195 R C 2.347 178.639 176.300 -0.013 0.000 1.137 195 R CA 1.168 57.258 56.100 -0.016 0.000 0.943 195 R CB -0.131 30.163 30.300 -0.010 0.000 0.846 195 R HN 0.236 nan 8.270 nan 0.000 0.431 196 M N -0.827 118.767 119.600 -0.009 0.000 2.123 196 M HA -0.112 4.368 4.480 0.000 0.000 0.263 196 M C 2.422 178.725 176.300 0.005 0.000 1.069 196 M CA 2.050 57.352 55.300 0.004 0.000 1.133 196 M CB -0.260 32.349 32.600 0.015 0.000 1.356 196 M HN 0.306 nan 8.290 nan 0.000 0.415 197 T N -3.042 111.505 114.554 -0.012 0.000 2.735 197 T HA 0.048 4.398 4.350 0.000 0.000 0.256 197 T C 1.062 175.756 174.700 -0.010 0.000 1.042 197 T CA 0.994 63.095 62.100 0.002 0.000 1.147 197 T CB -0.142 68.701 68.868 -0.043 0.000 0.865 197 T HN 0.360 nan 8.240 nan 0.000 0.421 198 S N 0.068 115.736 115.700 -0.054 0.000 3.239 198 S HA -0.031 4.439 4.470 0.000 0.000 0.274 198 S C 0.680 175.259 174.600 -0.035 0.000 1.320 198 S CA 0.228 58.405 58.200 -0.038 0.000 0.848 198 S CB -1.672 61.522 63.200 -0.010 0.000 1.075 198 S HN 1.084 nan 8.310 nan 0.000 0.699 199 G N 0.252 109.012 108.800 -0.067 0.000 3.198 199 G HA2 0.596 4.556 3.960 0.000 0.000 0.203 199 G HA3 0.596 4.556 3.960 0.000 0.000 0.203 199 G C -0.406 174.460 174.900 -0.057 0.000 1.950 199 G CA -0.368 44.622 45.100 -0.185 0.000 0.798 199 G HN 0.247 nan 8.290 nan 0.000 0.720 200 F N 2.467 122.428 119.950 0.018 0.000 2.438 200 F HA 0.432 4.959 4.527 0.000 0.000 0.360 200 F C 0.861 176.666 175.800 0.008 0.000 1.118 200 F CA -0.800 57.209 58.000 0.014 0.000 1.164 200 F CB 0.541 39.549 39.000 0.014 0.000 1.131 200 F HN 0.157 nan 8.300 nan 0.000 0.527 201 Q N 2.793 122.715 119.800 0.204 0.000 2.205 201 Q HA 0.470 4.810 4.340 0.000 0.000 0.249 201 Q C -0.030 176.015 176.000 0.075 0.000 0.948 201 Q CA -1.171 54.696 55.803 0.107 0.000 0.895 201 Q CB 1.737 30.520 28.738 0.075 0.000 1.249 201 Q HN 0.496 nan 8.270 nan 0.000 0.458 202 R N 0.511 121.042 120.500 0.051 0.000 2.585 202 R HA -0.003 4.337 4.340 0.000 0.000 0.275 202 R C 0.178 176.492 176.300 0.023 0.000 1.018 202 R CA 0.521 56.641 56.100 0.033 0.000 1.072 202 R CB 0.176 30.491 30.300 0.025 0.000 0.953 202 R HN 0.822 nan 8.270 nan 0.000 0.419 203 S N -0.280 115.429 115.700 0.013 0.000 2.765 203 S HA -0.137 4.333 4.470 0.000 0.000 0.266 203 S C -0.467 174.134 174.600 0.001 0.000 1.302 203 S CA 1.350 59.553 58.200 0.005 0.000 1.274 203 S CB -0.833 62.371 63.200 0.007 0.000 1.559 203 S HN 0.750 nan 8.310 nan 0.000 0.658 204 D N 0.976 121.378 120.400 0.004 0.000 2.210 204 D HA 0.527 5.168 4.640 0.000 0.000 0.249 204 D C -0.280 175.999 176.300 -0.035 0.000 1.078 204 D CA -0.368 53.629 54.000 -0.005 0.000 0.875 204 D CB 0.920 41.730 40.800 0.017 0.000 1.175 204 D HN 0.197 nan 8.370 nan 0.000 0.440 205 L N 4.129 125.326 121.223 -0.043 0.000 2.261 205 L HA 0.426 4.766 4.340 0.000 0.000 0.289 205 L C -1.062 175.753 176.870 -0.092 0.000 1.059 205 L CA -0.140 54.661 54.840 -0.065 0.000 0.816 205 L CB 0.153 42.182 42.059 -0.051 0.000 1.191 205 L HN 0.300 nan 8.230 nan 0.000 0.431 206 I N 6.395 126.876 120.570 -0.148 0.000 2.336 206 I HA 0.378 4.548 4.170 0.000 0.000 0.292 206 I C -0.345 175.671 176.117 -0.169 0.000 0.991 206 I CA -0.228 60.949 61.300 -0.205 0.000 1.227 206 I CB 1.354 39.091 38.000 -0.439 0.000 1.366 206 I HN 0.486 nan 8.210 nan 0.000 0.466 207 I N 6.872 127.357 120.570 -0.142 0.000 2.382 207 I HA 0.324 4.494 4.170 0.000 0.000 0.286 207 I C -0.686 175.350 176.117 -0.134 0.000 1.002 207 I CA -0.645 60.586 61.300 -0.115 0.000 1.135 207 I CB 1.725 39.664 38.000 -0.101 0.000 1.288 207 I HN 0.211 nan 8.210 nan 0.000 0.448 208 V N 6.279 126.152 119.914 -0.069 0.000 2.347 208 V HA 0.688 4.808 4.120 0.000 0.000 0.280 208 V C 0.215 176.299 176.094 -0.017 0.000 1.021 208 V CA -0.464 61.808 62.300 -0.047 0.000 0.847 208 V CB 1.316 33.189 31.823 0.083 0.000 0.990 208 V HN 0.776 nan 8.190 nan 0.000 0.444 209 A N 4.321 127.124 122.820 -0.028 0.000 2.342 209 A HA 1.017 5.337 4.320 0.000 0.000 0.323 209 A C -0.181 177.496 177.584 0.154 0.000 1.125 209 A CA -0.132 51.964 52.037 0.098 0.000 0.785 209 A CB 1.606 20.735 19.000 0.215 0.000 1.221 209 A HN 1.513 nan 8.150 nan 0.000 0.463 210 A N 2.177 125.046 122.820 0.081 0.000 2.605 210 A HA 0.705 5.025 4.320 0.000 0.000 0.294 210 A C -0.432 177.146 177.584 -0.010 0.000 1.062 210 A CA -0.797 51.266 52.037 0.043 0.000 0.682 210 A CB 0.911 19.910 19.000 -0.001 0.000 1.278 210 A HN 0.858 nan 8.150 nan 0.000 0.410 211 R N 0.819 121.308 120.500 -0.018 0.000 2.641 211 R HA 0.387 4.727 4.340 0.000 0.000 0.269 211 R C -2.388 173.872 176.300 -0.066 0.000 1.074 211 R CA -1.231 54.843 56.100 -0.044 0.000 1.133 211 R CB 0.008 30.289 30.300 -0.032 0.000 1.029 211 R HN 0.423 nan 8.270 nan 0.000 0.488 212 P HA -0.071 nan 4.420 nan 0.000 0.265 212 P C -0.231 177.032 177.300 -0.062 0.000 1.187 212 P CA 0.678 63.729 63.100 -0.081 0.000 0.766 212 P CB 0.650 32.306 31.700 -0.072 0.000 0.820 213 S N -0.642 115.024 115.700 -0.055 0.000 2.857 213 S HA -0.156 4.314 4.470 0.000 0.000 0.268 213 S C 1.144 175.686 174.600 -0.096 0.000 1.297 213 S CA 0.976 59.142 58.200 -0.057 0.000 1.280 213 S CB -1.745 61.427 63.200 -0.045 0.000 1.562 213 S HN 0.325 nan 8.310 nan 0.000 0.661 214 V N 0.010 119.864 119.914 -0.100 0.000 2.407 214 V HA 0.277 4.397 4.120 0.000 0.000 0.245 214 V C 1.919 177.902 176.094 -0.186 0.000 1.041 214 V CA 1.899 64.117 62.300 -0.136 0.000 1.040 214 V CB -0.260 31.507 31.823 -0.093 0.000 0.671 214 V HN 1.266 nan 8.190 nan 0.000 0.455 215 G N 0.309 109.051 108.800 -0.098 0.000 2.157 215 G HA2 -0.158 3.802 3.960 0.000 0.000 0.114 215 G HA3 -0.158 3.802 3.960 0.000 0.000 0.114 215 G C 0.742 175.742 174.900 0.166 0.000 1.041 215 G CA 0.342 45.422 45.100 -0.034 0.000 0.714 215 G HN 0.492 nan 8.290 nan 0.000 0.492 216 K N -0.505 119.951 120.400 0.094 0.000 2.063 216 K HA -0.117 4.203 4.320 0.000 0.000 0.208 216 K C 2.074 178.817 176.600 0.239 0.000 1.048 216 K CA 2.013 58.386 56.287 0.143 0.000 0.928 216 K CB -0.745 31.799 32.500 0.074 0.000 0.713 216 K HN 0.182 nan 8.250 nan 0.000 0.442 217 T N 1.597 116.268 114.554 0.194 0.000 2.635 217 T HA -0.187 4.163 4.350 0.000 0.000 0.267 217 T C 2.226 177.080 174.700 0.257 0.000 1.040 217 T CA 1.856 64.078 62.100 0.203 0.000 1.156 217 T CB -0.538 68.432 68.868 0.171 0.000 0.863 217 T HN 0.511 nan 8.240 nan 0.000 0.430 218 A N 1.022 124.042 122.820 0.333 0.000 1.908 218 A HA -0.091 4.229 4.320 0.000 0.000 0.218 218 A C 2.055 179.988 177.584 0.582 0.000 1.181 218 A CA 1.710 54.023 52.037 0.460 0.000 0.627 218 A CB -1.033 18.312 19.000 0.575 0.000 0.818 218 A HN 0.490 nan 8.150 nan 0.000 0.445 219 F N 0.883 121.079 119.950 0.410 0.000 2.134 219 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 219 F C 2.506 178.377 175.800 0.118 0.000 1.097 219 F CA 1.049 59.075 58.000 0.043 0.000 1.264 219 F CB -0.545 38.218 39.000 -0.394 0.000 1.001 219 F HN 0.256 nan 8.300 nan 0.000 0.479 220 A N 1.003 123.877 122.820 0.089 0.000 1.865 220 A HA -0.164 4.156 4.320 0.000 0.000 0.217 220 A C 2.338 179.934 177.584 0.019 0.000 1.191 220 A CA 1.978 54.016 52.037 0.002 0.000 0.623 220 A CB -1.300 17.761 19.000 0.101 0.000 0.826 220 A HN 0.485 nan 8.150 nan 0.000 0.444 221 L N -0.448 120.839 121.223 0.106 0.000 2.012 221 L HA -0.274 4.066 4.340 0.000 0.000 0.210 221 L C 2.417 179.349 176.870 0.103 0.000 1.073 221 L CA 1.931 56.835 54.840 0.107 0.000 0.748 221 L CB -0.916 41.227 42.059 0.140 0.000 0.891 221 L HN 0.532 nan 8.230 nan 0.000 0.431 222 N N 0.129 118.931 118.700 0.170 0.000 2.104 222 N HA -0.199 4.541 4.740 0.000 0.000 0.190 222 N C 1.918 177.476 175.510 0.081 0.000 1.024 222 N CA 1.205 54.380 53.050 0.209 0.000 0.853 222 N CB -0.103 38.681 38.487 0.496 0.000 1.008 222 N HN 0.306 nan 8.380 nan 0.000 0.424 223 I N 1.195 121.783 120.570 0.030 0.000 2.163 223 I HA -0.224 3.946 4.170 0.000 0.000 0.240 223 I C 2.610 178.724 176.117 -0.005 0.000 1.081 223 I CA 0.755 62.048 61.300 -0.013 0.000 1.353 223 I CB -0.514 37.477 38.000 -0.015 0.000 1.054 223 I HN 0.111 nan 8.210 nan 0.000 0.407 224 A N 0.306 123.134 122.820 0.012 0.000 1.884 224 A HA -0.356 3.964 4.320 0.000 0.000 0.219 224 A C 2.316 179.905 177.584 0.007 0.000 1.197 224 A CA 2.395 54.445 52.037 0.021 0.000 0.637 224 A CB -0.981 18.038 19.000 0.030 0.000 0.827 224 A HN 0.524 nan 8.150 nan 0.000 0.450 225 Q N -0.583 119.220 119.800 0.005 0.000 2.002 225 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 225 Q C 2.040 178.017 176.000 -0.039 0.000 0.988 225 Q CA 2.017 57.814 55.803 -0.010 0.000 0.843 225 Q CB -0.267 28.474 28.738 0.006 0.000 0.908 225 Q HN 0.837 nan 8.270 nan 0.000 0.420 226 N N -0.978 117.679 118.700 -0.072 0.000 2.192 226 N HA -0.181 4.559 4.740 0.000 0.000 0.188 226 N C 1.680 177.138 175.510 -0.087 0.000 1.013 226 N CA 1.219 54.196 53.050 -0.123 0.000 0.863 226 N CB 0.106 38.443 38.487 -0.249 0.000 0.990 226 N HN 0.059 nan 8.380 nan 0.000 0.430 227 V N 0.746 120.629 119.914 -0.051 0.000 2.379 227 V HA -0.120 4.000 4.120 0.000 0.000 0.245 227 V C 2.222 178.308 176.094 -0.013 0.000 1.044 227 V CA 1.794 64.080 62.300 -0.023 0.000 1.036 227 V CB -0.626 31.204 31.823 0.012 0.000 0.664 227 V HN 0.339 nan 8.190 nan 0.000 0.453 228 A N 0.689 123.504 122.820 -0.008 0.000 1.897 228 A HA -0.169 4.151 4.320 0.000 0.000 0.215 228 A C 2.466 180.041 177.584 -0.015 0.000 1.181 228 A CA 2.318 54.354 52.037 -0.001 0.000 0.620 228 A CB -0.815 18.187 19.000 0.002 0.000 0.821 228 A HN 0.618 nan 8.150 nan 0.000 0.443 229 T N -1.824 112.712 114.554 -0.029 0.000 2.770 229 T HA -0.030 4.320 4.350 0.000 0.000 0.258 229 T C 1.920 176.598 174.700 -0.037 0.000 1.039 229 T CA 1.329 63.408 62.100 -0.035 0.000 1.143 229 T CB -0.253 68.589 68.868 -0.043 0.000 0.866 229 T HN 0.422 nan 8.240 nan 0.000 0.428 230 K N 0.628 121.001 120.400 -0.046 0.000 1.984 230 K HA 0.060 4.380 4.320 0.000 0.000 0.209 230 K C 1.671 178.250 176.600 -0.035 0.000 1.046 230 K CA 1.100 57.359 56.287 -0.047 0.000 0.934 230 K CB -0.415 32.045 32.500 -0.067 0.000 0.717 230 K HN 0.317 nan 8.250 nan 0.000 0.438 231 T N -0.039 114.497 114.554 -0.030 0.000 2.847 231 T HA 0.058 4.408 4.350 0.000 0.000 0.279 231 T C 0.703 175.398 174.700 -0.008 0.000 0.984 231 T CA -0.512 61.577 62.100 -0.018 0.000 0.988 231 T CB 0.833 69.692 68.868 -0.015 0.000 1.040 231 T HN 0.019 nan 8.240 nan 0.000 0.528 232 N N 0.955 119.654 118.700 -0.002 0.000 2.398 232 N HA 0.082 4.822 4.740 0.000 0.000 0.188 232 N C -0.064 175.456 175.510 0.016 0.000 1.122 232 N CA 0.071 53.124 53.050 0.005 0.000 0.866 232 N CB -0.046 38.443 38.487 0.004 0.000 0.970 232 N HN 0.512 nan 8.380 nan 0.000 0.462 233 E N 0.106 120.316 120.200 0.017 0.000 2.349 233 E HA 0.228 4.578 4.350 0.000 0.000 0.265 233 E C -0.687 175.940 176.600 0.045 0.000 1.064 233 E CA -0.388 56.027 56.400 0.026 0.000 0.886 233 E CB 0.425 30.139 29.700 0.023 0.000 1.036 233 E HN 0.088 nan 8.360 nan 0.000 0.413 234 N N 1.191 119.924 118.700 0.055 0.000 2.479 234 N HA 0.266 5.006 4.740 0.000 0.000 0.285 234 N C -1.195 174.362 175.510 0.078 0.000 1.075 234 N CA -0.360 52.751 53.050 0.101 0.000 0.967 234 N CB 1.389 39.924 38.487 0.080 0.000 1.137 234 N HN 0.095 nan 8.380 nan 0.000 0.472 235 V N 0.635 120.620 119.914 0.118 0.000 2.547 235 V HA 0.739 4.859 4.120 0.000 0.000 0.299 235 V C 0.003 176.157 176.094 0.101 0.000 1.040 235 V CA -1.018 61.333 62.300 0.085 0.000 0.913 235 V CB 1.530 33.392 31.823 0.064 0.000 0.992 235 V HN 0.749 nan 8.190 nan 0.000 0.449 236 A N 5.837 128.686 122.820 0.049 0.000 2.293 236 A HA 0.788 5.108 4.320 0.000 0.000 0.312 236 A C -0.670 176.891 177.584 -0.039 0.000 1.309 236 A CA -0.366 51.663 52.037 -0.013 0.000 0.839 236 A CB 0.132 19.115 19.000 -0.027 0.000 1.155 236 A HN 0.753 nan 8.150 nan 0.000 0.501 237 I N 2.024 122.534 120.570 -0.099 0.000 2.331 237 I HA 0.334 4.504 4.170 0.000 0.000 0.292 237 I C -0.984 175.021 176.117 -0.187 0.000 0.998 237 I CA -0.237 61.034 61.300 -0.048 0.000 1.267 237 I CB 1.202 39.199 38.000 -0.006 0.000 1.386 237 I HN 0.556 nan 8.210 nan 0.000 0.476 238 F N 4.574 124.537 119.950 0.023 0.000 2.332 238 F HA 0.280 4.807 4.527 0.000 0.000 0.368 238 F C 0.609 176.414 175.800 0.009 0.000 1.110 238 F CA -0.342 57.665 58.000 0.012 0.000 1.087 238 F CB 1.516 40.515 39.000 -0.002 0.000 1.235 238 F HN 0.307 nan 8.300 nan 0.000 0.470 239 S N 5.225 121.003 115.700 0.130 0.000 2.461 239 S HA 0.429 4.899 4.470 0.000 0.000 0.322 239 S C 0.799 175.440 174.600 0.068 0.000 1.063 239 S CA -0.631 57.624 58.200 0.092 0.000 1.120 239 S CB 0.255 63.493 63.200 0.064 0.000 0.968 239 S HN 0.693 nan 8.310 nan 0.000 0.467 240 L N 3.513 124.755 121.223 0.032 0.000 2.446 240 L HA 0.248 4.588 4.340 0.000 0.000 0.219 240 L C 2.265 179.112 176.870 -0.038 0.000 1.116 240 L CA 0.444 55.272 54.840 -0.020 0.000 0.844 240 L CB -0.106 41.898 42.059 -0.092 0.000 0.970 240 L HN 0.613 nan 8.230 nan 0.000 0.457 241 E N 0.052 120.245 120.200 -0.012 0.000 2.132 241 E HA 0.057 4.407 4.350 0.000 0.000 0.193 241 E C 0.901 177.535 176.600 0.057 0.000 0.951 241 E CA 0.009 56.430 56.400 0.035 0.000 0.843 241 E CB 0.566 30.345 29.700 0.132 0.000 0.807 241 E HN 0.158 nan 8.360 nan 0.000 0.467 242 M N 1.238 120.877 119.600 0.066 0.000 2.367 242 M HA 0.182 4.662 4.480 0.000 0.000 0.339 242 M C -0.341 175.985 176.300 0.043 0.000 1.177 242 M CA -0.464 54.872 55.300 0.061 0.000 1.068 242 M CB 1.513 34.158 32.600 0.075 0.000 1.602 242 M HN -0.020 nan 8.290 nan 0.000 0.457 243 S N 2.688 118.409 115.700 0.035 0.000 2.632 243 S HA 0.514 4.984 4.470 0.000 0.000 0.271 243 S C 0.868 175.479 174.600 0.018 0.000 1.260 243 S CA -0.326 57.888 58.200 0.024 0.000 1.010 243 S CB 1.392 64.603 63.200 0.020 0.000 0.965 243 S HN 0.823 nan 8.310 nan 0.000 0.534 244 A N 1.087 123.912 122.820 0.007 0.000 1.908 244 A HA -0.146 4.174 4.320 0.000 0.000 0.218 244 A C 2.271 179.852 177.584 -0.005 0.000 1.181 244 A CA 1.730 53.765 52.037 -0.003 0.000 0.627 244 A CB -1.091 17.900 19.000 -0.015 0.000 0.818 244 A HN 0.914 nan 8.150 nan 0.000 0.445 245 Q N -1.343 118.455 119.800 -0.003 0.000 2.172 245 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 245 Q C 2.284 178.285 176.000 0.002 0.000 0.964 245 Q CA 1.309 57.109 55.803 -0.005 0.000 0.855 245 Q CB -0.101 28.634 28.738 -0.005 0.000 0.918 245 Q HN 0.834 nan 8.270 nan 0.000 0.444 246 Q N 0.481 120.288 119.800 0.012 0.000 2.170 246 Q HA -0.156 4.184 4.340 0.000 0.000 0.203 246 Q C 1.944 177.961 176.000 0.027 0.000 0.976 246 Q CA 0.813 56.629 55.803 0.021 0.000 0.858 246 Q CB 0.090 28.845 28.738 0.029 0.000 0.907 246 Q HN 0.379 nan 8.270 nan 0.000 0.433 247 L N -0.752 120.486 121.223 0.026 0.000 2.102 247 L HA -0.092 4.248 4.340 0.000 0.000 0.202 247 L C 2.105 178.989 176.870 0.023 0.000 1.076 247 L CA 0.580 55.440 54.840 0.034 0.000 0.761 247 L CB -0.082 41.996 42.059 0.032 0.000 0.921 247 L HN 0.028 nan 8.230 nan 0.000 0.444 248 V N 0.046 119.962 119.914 0.004 0.000 2.332 248 V HA -0.342 3.778 4.120 0.000 0.000 0.248 248 V C 2.650 178.740 176.094 -0.007 0.000 1.055 248 V CA 1.871 64.165 62.300 -0.009 0.000 1.038 248 V CB -0.552 31.255 31.823 -0.026 0.000 0.651 248 V HN 0.436 nan 8.190 nan 0.000 0.450 249 M N -0.633 118.964 119.600 -0.004 0.000 2.195 249 M HA -0.189 4.291 4.480 0.000 0.000 0.260 249 M C 2.264 178.570 176.300 0.010 0.000 1.066 249 M CA 1.776 57.073 55.300 -0.005 0.000 1.089 249 M CB -1.069 31.532 32.600 0.000 0.000 1.377 249 M HN 0.384 nan 8.290 nan 0.000 0.411 250 R N 0.007 120.524 120.500 0.028 0.000 2.100 250 R HA -0.003 4.337 4.340 0.000 0.000 0.220 250 R C 2.102 178.432 176.300 0.051 0.000 1.091 250 R CA 1.307 57.437 56.100 0.049 0.000 0.986 250 R CB -0.377 29.967 30.300 0.073 0.000 0.888 250 R HN 0.521 nan 8.270 nan 0.000 0.444 251 M N -0.620 119.002 119.600 0.038 0.000 2.558 251 M HA 0.107 4.587 4.480 0.000 0.000 0.255 251 M C 1.707 178.010 176.300 0.005 0.000 1.113 251 M CA 1.218 56.537 55.300 0.031 0.000 1.097 251 M CB -0.112 32.505 32.600 0.028 0.000 1.426 251 M HN -0.025 nan 8.290 nan 0.000 0.488 252 L N 0.432 121.650 121.223 -0.008 0.000 2.044 252 L HA -0.129 4.211 4.340 0.000 0.000 0.205 252 L C 2.636 179.496 176.870 -0.016 0.000 1.075 252 L CA 1.040 55.862 54.840 -0.029 0.000 0.747 252 L CB -0.511 41.517 42.059 -0.051 0.000 0.903 252 L HN 0.522 nan 8.230 nan 0.000 0.435 253 C N -0.158 119.148 119.300 0.009 0.000 2.393 253 C HA -0.229 4.231 4.460 0.000 0.000 0.276 253 C C 3.036 178.063 174.990 0.062 0.000 1.215 253 C CA 0.949 59.997 59.018 0.049 0.000 1.743 253 C CB -1.200 26.577 27.740 0.061 0.000 2.044 253 C HN 0.632 nan 8.230 nan 0.000 0.464 254 A N -0.181 122.670 122.820 0.051 0.000 2.066 254 A HA -0.124 4.196 4.320 0.000 0.000 0.218 254 A C 1.956 179.532 177.584 -0.013 0.000 1.157 254 A CA 1.926 53.988 52.037 0.042 0.000 0.670 254 A CB -0.392 18.653 19.000 0.074 0.000 0.804 254 A HN 0.668 nan 8.150 nan 0.000 0.453 255 E N -0.159 120.026 120.200 -0.025 0.000 2.024 255 E HA 0.072 4.422 4.350 0.000 0.000 0.190 255 E C 1.788 178.341 176.600 -0.079 0.000 0.974 255 E CA 1.325 57.696 56.400 -0.048 0.000 0.810 255 E CB -0.613 29.061 29.700 -0.043 0.000 0.775 255 E HN 0.275 nan 8.360 nan 0.000 0.453 256 G N -0.517 108.237 108.800 -0.077 0.000 3.141 256 G HA2 -0.020 3.940 3.960 0.000 0.000 0.218 256 G HA3 -0.020 3.940 3.960 0.000 0.000 0.218 256 G C -0.272 174.556 174.900 -0.122 0.000 1.170 256 G CA 0.183 45.230 45.100 -0.089 0.000 0.769 256 G HN 0.275 nan 8.290 nan 0.000 0.546 257 N N -0.267 118.325 118.700 -0.180 0.000 2.726 257 N HA -0.137 4.603 4.740 0.000 0.000 0.253 257 N C -0.349 175.148 175.510 -0.022 0.000 1.059 257 N CA 0.707 53.525 53.050 -0.386 0.000 0.701 257 N CB -1.329 36.798 38.487 -0.599 0.000 0.899 257 N HN 0.416 nan 8.380 nan 0.000 0.548 258 I N 0.389 121.056 120.570 0.162 0.000 2.377 258 I HA 0.145 4.315 4.170 0.000 0.000 0.293 258 I C 0.924 177.187 176.117 0.243 0.000 0.987 258 I CA -0.864 60.548 61.300 0.186 0.000 1.185 258 I CB 1.311 39.342 38.000 0.051 0.000 1.341 258 I HN 0.026 nan 8.210 nan 0.000 0.455 259 N N 4.526 123.309 118.700 0.139 0.000 2.374 259 N HA -0.007 4.733 4.740 0.000 0.000 0.269 259 N C 0.877 176.366 175.510 -0.035 0.000 1.310 259 N CA 0.524 53.538 53.050 -0.060 0.000 0.877 259 N CB 1.182 39.624 38.487 -0.075 0.000 1.096 259 N HN 0.751 nan 8.380 nan 0.000 0.484 260 A N 3.940 126.718 122.820 -0.070 0.000 1.865 260 A HA -0.240 4.080 4.320 0.000 0.000 0.217 260 A C 1.885 179.455 177.584 -0.024 0.000 1.191 260 A CA 1.680 53.699 52.037 -0.031 0.000 0.623 260 A CB -0.774 18.204 19.000 -0.037 0.000 0.826 260 A HN 0.865 nan 8.150 nan 0.000 0.444 261 Q N -0.377 119.398 119.800 -0.041 0.000 2.291 261 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 261 Q C 2.020 178.014 176.000 -0.010 0.000 0.976 261 Q CA 1.358 57.147 55.803 -0.024 0.000 0.875 261 Q CB -0.211 28.507 28.738 -0.034 0.000 0.927 261 Q HN 0.776 nan 8.270 nan 0.000 0.450 262 N N 0.458 119.151 118.700 -0.010 0.000 2.166 262 N HA -0.159 4.581 4.740 0.000 0.000 0.186 262 N C 1.748 177.275 175.510 0.029 0.000 1.019 262 N CA 1.035 54.092 53.050 0.013 0.000 0.856 262 N CB -0.160 38.338 38.487 0.018 0.000 0.993 262 N HN 0.324 nan 8.380 nan 0.000 0.426 263 L N 0.610 121.844 121.223 0.019 0.000 2.044 263 L HA -0.028 4.312 4.340 0.000 0.000 0.205 263 L C 2.781 179.664 176.870 0.022 0.000 1.075 263 L CA 0.694 55.545 54.840 0.019 0.000 0.747 263 L CB -0.367 41.690 42.059 -0.004 0.000 0.903 263 L HN 0.124 nan 8.230 nan 0.000 0.435 264 R N -0.349 120.159 120.500 0.014 0.000 2.115 264 R HA -0.183 4.157 4.340 0.000 0.000 0.239 264 R C 1.925 178.237 176.300 0.020 0.000 1.133 264 R CA 2.191 58.300 56.100 0.015 0.000 0.935 264 R CB -0.819 29.488 30.300 0.010 0.000 0.853 264 R HN 0.328 nan 8.270 nan 0.000 0.433 265 T N -0.305 114.261 114.554 0.020 0.000 3.081 265 T HA 0.121 4.471 4.350 0.000 0.000 0.250 265 T C 0.750 175.469 174.700 0.033 0.000 1.100 265 T CA 0.373 62.487 62.100 0.022 0.000 1.038 265 T CB 0.359 69.235 68.868 0.014 0.000 0.962 265 T HN 0.530 nan 8.240 nan 0.000 0.516 266 G N 3.489 112.316 108.800 0.045 0.000 2.836 266 G HA2 -0.215 3.745 3.960 0.000 0.000 0.341 266 G HA3 -0.215 3.745 3.960 0.000 0.000 0.341 266 G C -0.201 174.739 174.900 0.067 0.000 0.161 266 G CA 0.448 45.590 45.100 0.071 0.000 1.230 266 G HN 0.568 nan 8.290 nan 0.000 0.445 267 K N -0.471 119.966 120.400 0.062 0.000 7.487 267 K HA -0.104 4.216 4.320 0.000 0.000 0.616 267 K C -0.258 176.409 176.600 0.112 0.000 2.591 267 K CA 0.620 56.947 56.287 0.067 0.000 1.991 267 K CB -0.439 32.088 32.500 0.046 0.000 2.106 267 K HN 1.031 nan 8.250 nan 0.000 0.261 268 L N 1.147 122.440 121.223 0.117 0.000 5.004 268 L HA 0.001 4.341 4.340 0.000 0.000 0.245 268 L C -0.701 176.259 176.870 0.150 0.000 1.084 268 L CA -0.531 54.415 54.840 0.176 0.000 0.970 268 L CB 1.644 43.915 42.059 0.352 0.000 1.692 268 L HN 0.720 nan 8.230 nan 0.000 0.407 269 T N 3.561 118.193 114.554 0.130 0.000 2.814 269 T HA 0.165 4.515 4.350 0.000 0.000 0.297 269 T C -1.622 173.164 174.700 0.143 0.000 0.956 269 T CA -1.136 61.025 62.100 0.102 0.000 1.123 269 T CB 0.938 69.853 68.868 0.078 0.000 0.902 269 T HN 0.393 nan 8.240 nan 0.000 0.528 270 P HA -0.168 nan 4.420 nan 0.000 0.218 270 P C 0.937 178.329 177.300 0.153 0.000 1.147 270 P CA 1.249 64.401 63.100 0.087 0.000 0.827 270 P CB 0.383 32.088 31.700 0.008 0.000 0.778 271 E N -1.701 118.571 120.200 0.120 0.000 2.431 271 E HA -0.047 4.303 4.350 0.000 0.000 0.200 271 E C 1.448 178.112 176.600 0.107 0.000 0.995 271 E CA -0.033 56.430 56.400 0.105 0.000 0.915 271 E CB -0.146 29.592 29.700 0.063 0.000 0.930 271 E HN 0.012 nan 8.360 nan 0.000 0.496 272 D N -0.237 120.236 120.400 0.122 0.000 2.224 272 D HA -0.143 4.497 4.640 0.000 0.000 0.205 272 D C 1.153 177.526 176.300 0.121 0.000 0.965 272 D CA 0.605 54.667 54.000 0.105 0.000 0.852 272 D CB 0.029 40.894 40.800 0.108 0.000 0.947 272 D HN 0.289 nan 8.370 nan 0.000 0.494 273 W N 1.086 122.391 121.300 0.008 0.000 2.409 273 W HA -0.011 4.649 4.660 -0.000 0.000 0.299 273 W C 1.897 178.417 176.519 0.001 0.000 1.203 273 W CA 1.546 58.894 57.345 0.005 0.000 1.298 273 W CB -0.509 28.953 29.460 0.003 0.000 1.127 273 W HN 0.037 nan 8.180 nan 0.000 0.528 274 G N 0.571 109.515 108.800 0.240 0.000 2.471 274 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 274 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 274 G C 1.595 176.514 174.900 0.032 0.000 1.125 274 G CA 0.708 45.886 45.100 0.129 0.000 0.775 274 G HN 0.234 nan 8.290 nan 0.000 0.548 275 K N -0.651 119.758 120.400 0.015 0.000 2.155 275 K HA 0.095 4.415 4.320 0.000 0.000 0.203 275 K C 2.277 178.835 176.600 -0.069 0.000 1.052 275 K CA 0.373 56.647 56.287 -0.022 0.000 0.948 275 K CB -0.118 32.377 32.500 -0.008 0.000 0.728 275 K HN 0.275 nan 8.250 nan 0.000 0.448 276 L N 0.988 122.135 121.223 -0.127 0.000 2.027 276 L HA -0.158 4.182 4.340 0.000 0.000 0.206 276 L C 2.230 178.998 176.870 -0.169 0.000 1.074 276 L CA 2.231 56.951 54.840 -0.200 0.000 0.745 276 L CB -0.890 40.934 42.059 -0.391 0.000 0.898 276 L HN 0.287 nan 8.230 nan 0.000 0.433 277 T N -2.801 111.664 114.554 -0.149 0.000 2.881 277 T HA -0.248 4.102 4.350 0.000 0.000 0.270 277 T C 1.731 176.394 174.700 -0.061 0.000 1.068 277 T CA 1.795 63.840 62.100 -0.091 0.000 1.131 277 T CB -0.605 68.244 68.868 -0.032 0.000 0.871 277 T HN 0.468 nan 8.240 nan 0.000 0.479 278 M N 1.206 120.773 119.600 -0.054 0.000 2.236 278 M HA 0.305 4.785 4.480 0.000 0.000 0.266 278 M C 2.935 179.202 176.300 -0.054 0.000 1.070 278 M CA 1.311 56.584 55.300 -0.045 0.000 1.137 278 M CB -0.627 31.950 32.600 -0.038 0.000 1.378 278 M HN 0.349 nan 8.290 nan 0.000 0.426 279 A N 1.108 123.888 122.820 -0.068 0.000 1.873 279 A HA -0.108 4.212 4.320 0.000 0.000 0.215 279 A C 2.258 179.802 177.584 -0.068 0.000 1.186 279 A CA 1.598 53.594 52.037 -0.069 0.000 0.616 279 A CB -0.642 18.312 19.000 -0.076 0.000 0.823 279 A HN 0.438 nan 8.150 nan 0.000 0.442 280 M N -0.558 118.995 119.600 -0.079 0.000 2.082 280 M HA -0.145 4.335 4.480 0.000 0.000 0.258 280 M C 2.374 178.638 176.300 -0.060 0.000 1.071 280 M CA 1.688 56.944 55.300 -0.074 0.000 1.103 280 M CB -0.896 31.654 32.600 -0.083 0.000 1.307 280 M HN 0.527 nan 8.290 nan 0.000 0.409 281 G N 0.366 109.135 108.800 -0.052 0.000 2.631 281 G HA2 -0.346 3.614 3.960 0.000 0.000 0.219 281 G HA3 -0.346 3.614 3.960 0.000 0.000 0.219 281 G C 1.530 176.404 174.900 -0.043 0.000 1.214 281 G CA 2.021 47.096 45.100 -0.043 0.000 0.785 281 G HN 0.590 nan 8.290 nan 0.000 0.596 282 S N 0.258 115.931 115.700 -0.044 0.000 2.402 282 S HA -0.064 4.406 4.470 0.000 0.000 0.233 282 S C 2.185 176.757 174.600 -0.046 0.000 1.030 282 S CA 1.491 59.665 58.200 -0.043 0.000 1.003 282 S CB -0.286 62.888 63.200 -0.044 0.000 0.813 282 S HN 0.187 nan 8.310 nan 0.000 0.477 283 L N 1.471 122.663 121.223 -0.051 0.000 2.446 283 L HA 0.256 4.596 4.340 0.000 0.000 0.219 283 L C 2.227 179.059 176.870 -0.063 0.000 1.116 283 L CA 0.810 55.617 54.840 -0.055 0.000 0.844 283 L CB -0.490 41.535 42.059 -0.055 0.000 0.970 283 L HN 0.238 nan 8.230 nan 0.000 0.457 284 S N -0.073 115.590 115.700 -0.061 0.000 2.406 284 S HA -0.079 4.391 4.470 0.000 0.000 0.228 284 S C 1.534 176.094 174.600 -0.067 0.000 1.020 284 S CA 1.117 59.276 58.200 -0.068 0.000 0.965 284 S CB -0.363 62.803 63.200 -0.057 0.000 0.798 284 S HN 0.502 nan 8.310 nan 0.000 0.488 285 N N 1.912 120.581 118.700 -0.052 0.000 2.457 285 N HA 0.197 4.937 4.740 0.000 0.000 0.180 285 N C 0.520 176.005 175.510 -0.042 0.000 1.050 285 N CA 0.403 53.428 53.050 -0.042 0.000 0.906 285 N CB -0.456 38.012 38.487 -0.032 0.000 0.968 285 N HN 0.408 nan 8.380 nan 0.000 0.445 286 A N 0.017 122.807 122.820 -0.051 0.000 2.406 286 A HA 0.501 4.821 4.320 0.000 0.000 0.243 286 A C 1.165 178.715 177.584 -0.057 0.000 1.082 286 A CA 0.212 52.223 52.037 -0.044 0.000 0.786 286 A CB -0.003 18.968 19.000 -0.048 0.000 1.029 286 A HN 0.235 nan 8.150 nan 0.000 0.495 287 G N 0.735 109.529 108.800 -0.009 0.000 4.178 287 G HA2 0.469 4.429 3.960 0.000 0.000 0.287 287 G HA3 0.469 4.429 3.960 0.000 0.000 0.287 287 G C -0.125 174.815 174.900 0.067 0.000 1.293 287 G CA -0.278 44.853 45.100 0.052 0.000 1.393 287 G HN 0.564 nan 8.290 nan 0.000 0.623 288 I N 1.127 121.626 120.570 -0.120 0.000 2.325 288 I HA 0.295 4.465 4.170 0.000 0.000 0.291 288 I C -0.718 175.247 176.117 -0.253 0.000 1.019 288 I CA -0.656 60.599 61.300 -0.076 0.000 1.302 288 I CB 0.932 38.887 38.000 -0.074 0.000 1.401 288 I HN 0.135 nan 8.210 nan 0.000 0.485 289 Y N 6.652 126.909 120.300 -0.073 0.000 2.364 289 Y HA 0.583 5.133 4.550 -0.000 0.000 0.340 289 Y C 0.002 175.813 175.900 -0.149 0.000 0.975 289 Y CA -0.730 57.311 58.100 -0.100 0.000 1.089 289 Y CB 1.504 39.903 38.460 -0.102 0.000 1.192 289 Y HN 0.337 nan 8.280 nan 0.000 0.454 290 I N 2.847 123.394 120.570 -0.039 0.000 2.530 290 I HA 0.313 4.483 4.170 0.000 0.000 0.297 290 I C -1.068 174.959 176.117 -0.150 0.000 1.011 290 I CA -0.722 60.513 61.300 -0.109 0.000 1.107 290 I CB 1.979 39.938 38.000 -0.070 0.000 1.285 290 I HN 0.520 nan 8.210 nan 0.000 0.436 291 D N 4.498 124.750 120.400 -0.247 0.000 2.505 291 D HA 0.181 4.821 4.640 0.000 0.000 0.250 291 D C -0.360 175.912 176.300 -0.045 0.000 1.164 291 D CA -0.492 53.406 54.000 -0.169 0.000 0.870 291 D CB 1.137 41.775 40.800 -0.270 0.000 1.160 291 D HN 0.506 nan 8.370 nan 0.000 0.549 292 D N 1.847 122.244 120.400 -0.006 0.000 2.395 292 D HA 0.023 4.663 4.640 0.000 0.000 0.226 292 D C -0.196 176.128 176.300 0.039 0.000 1.146 292 D CA -0.272 53.742 54.000 0.023 0.000 0.830 292 D CB -0.468 40.340 40.800 0.012 0.000 0.958 292 D HN 0.117 nan 8.370 nan 0.000 0.501 293 T N 3.378 117.968 114.554 0.059 0.000 2.871 293 T HA 0.036 4.386 4.350 0.000 0.000 0.296 293 T C -1.205 173.520 174.700 0.042 0.000 0.998 293 T CA -0.775 61.358 62.100 0.055 0.000 1.162 293 T CB 1.380 70.293 68.868 0.075 0.000 0.947 293 T HN 0.082 nan 8.240 nan 0.000 0.536 294 P HA -0.119 nan 4.420 nan 0.000 0.216 294 P C 0.269 177.561 177.300 -0.013 0.000 1.167 294 P CA 1.196 64.299 63.100 0.004 0.000 0.914 294 P CB 0.086 31.788 31.700 0.004 0.000 0.793 295 S N -1.180 114.514 115.700 -0.010 0.000 2.775 295 S HA 0.587 5.057 4.470 0.000 0.000 0.277 295 S C -0.301 174.287 174.600 -0.019 0.000 1.156 295 S CA -0.910 57.273 58.200 -0.028 0.000 1.081 295 S CB 0.492 63.672 63.200 -0.034 0.000 1.054 295 S HN -0.057 nan 8.310 nan 0.000 0.482 296 I N 2.853 123.407 120.570 -0.027 0.000 2.664 296 I HA 0.507 4.677 4.170 0.000 0.000 0.308 296 I C 0.723 176.804 176.117 -0.060 0.000 0.984 296 I CA -1.187 60.095 61.300 -0.030 0.000 1.213 296 I CB 1.155 39.138 38.000 -0.029 0.000 1.379 296 I HN 0.499 nan 8.210 nan 0.000 0.501 297 R N 2.356 122.823 120.500 -0.055 0.000 2.553 297 R HA 0.356 4.696 4.340 0.000 0.000 0.263 297 R C 0.781 177.022 176.300 -0.098 0.000 1.066 297 R CA -0.788 55.273 56.100 -0.064 0.000 1.135 297 R CB 0.733 31.008 30.300 -0.043 0.000 1.148 297 R HN 0.392 nan 8.270 nan 0.000 0.558 298 V N 0.479 120.334 119.914 -0.098 0.000 2.453 298 V HA -0.235 3.885 4.120 0.000 0.000 0.247 298 V C 2.441 178.471 176.094 -0.107 0.000 1.048 298 V CA 2.149 64.373 62.300 -0.127 0.000 1.049 298 V CB -0.774 30.985 31.823 -0.105 0.000 0.672 298 V HN 0.964 nan 8.190 nan 0.000 0.457 299 S N 0.500 116.158 115.700 -0.069 0.000 2.387 299 S HA -0.298 4.172 4.470 0.000 0.000 0.230 299 S C 1.620 176.196 174.600 -0.040 0.000 1.035 299 S CA 1.879 60.050 58.200 -0.048 0.000 1.014 299 S CB -0.609 62.572 63.200 -0.033 0.000 0.836 299 S HN 0.630 nan 8.310 nan 0.000 0.466 300 D N 1.656 122.031 120.400 -0.042 0.000 2.123 300 D HA 0.073 4.713 4.640 0.000 0.000 0.200 300 D C 2.023 178.317 176.300 -0.010 0.000 0.976 300 D CA 1.067 55.060 54.000 -0.012 0.000 0.831 300 D CB -0.310 40.492 40.800 0.003 0.000 0.974 300 D HN 0.445 nan 8.370 nan 0.000 0.469 301 I N 0.814 121.305 120.570 -0.133 0.000 2.208 301 I HA -0.252 3.918 4.170 0.000 0.000 0.245 301 I C 2.641 178.709 176.117 -0.083 0.000 1.097 301 I CA 1.020 62.141 61.300 -0.298 0.000 1.363 301 I CB -0.115 37.484 38.000 -0.668 0.000 1.051 301 I HN -0.102 nan 8.210 nan 0.000 0.413 302 R N 0.455 120.910 120.500 -0.075 0.000 2.075 302 R HA -0.094 4.246 4.340 0.000 0.000 0.232 302 R C 2.375 178.678 176.300 0.005 0.000 1.126 302 R CA 1.468 57.549 56.100 -0.031 0.000 0.963 302 R CB -0.279 29.997 30.300 -0.041 0.000 0.858 302 R HN 0.353 nan 8.270 nan 0.000 0.435 303 A N 0.742 123.568 122.820 0.010 0.000 2.014 303 A HA -0.101 4.219 4.320 0.000 0.000 0.218 303 A C 1.734 179.338 177.584 0.034 0.000 1.163 303 A CA 1.052 53.099 52.037 0.016 0.000 0.652 303 A CB -0.044 18.963 19.000 0.011 0.000 0.808 303 A HN 0.184 nan 8.150 nan 0.000 0.449 304 K N -0.936 119.508 120.400 0.073 0.000 2.076 304 K HA -0.042 4.278 4.320 0.000 0.000 0.204 304 K C 1.941 178.583 176.600 0.069 0.000 1.051 304 K CA 1.239 57.579 56.287 0.089 0.000 0.949 304 K CB -0.314 32.289 32.500 0.171 0.000 0.726 304 K HN 0.511 nan 8.250 nan 0.000 0.443 305 C N 0.661 120.027 119.300 0.110 0.000 2.440 305 C HA -0.003 4.457 4.460 0.000 0.000 0.278 305 C C 2.604 177.599 174.990 0.009 0.000 1.295 305 C CA 0.330 59.387 59.018 0.065 0.000 1.738 305 C CB -0.671 27.131 27.740 0.104 0.000 1.987 305 C HN 0.446 nan 8.230 nan 0.000 0.492 306 R N 0.745 121.251 120.500 0.011 0.000 2.083 306 R HA -0.143 4.197 4.340 0.000 0.000 0.237 306 R C 2.499 178.789 176.300 -0.017 0.000 1.137 306 R CA 1.601 57.698 56.100 -0.005 0.000 0.951 306 R CB -0.208 30.090 30.300 -0.002 0.000 0.851 306 R HN 0.550 nan 8.270 nan 0.000 0.434 307 R N 0.049 120.539 120.500 -0.016 0.000 2.073 307 R HA -0.162 4.178 4.340 0.000 0.000 0.234 307 R C 2.394 178.662 176.300 -0.054 0.000 1.134 307 R CA 1.443 57.527 56.100 -0.026 0.000 0.952 307 R CB -0.516 29.773 30.300 -0.018 0.000 0.850 307 R HN 0.183 nan 8.270 nan 0.000 0.433 308 L N 1.648 122.822 121.223 -0.082 0.000 2.083 308 L HA -0.173 4.167 4.340 0.000 0.000 0.209 308 L C 2.310 179.096 176.870 -0.140 0.000 1.083 308 L CA 1.776 56.520 54.840 -0.160 0.000 0.752 308 L CB -0.289 41.615 42.059 -0.257 0.000 0.899 308 L HN 0.028 nan 8.230 nan 0.000 0.433 309 K N -0.593 119.753 120.400 -0.090 0.000 2.009 309 K HA -0.228 4.092 4.320 0.000 0.000 0.210 309 K C 1.920 178.489 176.600 -0.052 0.000 1.049 309 K CA 2.070 58.318 56.287 -0.066 0.000 0.929 309 K CB -0.152 32.325 32.500 -0.038 0.000 0.714 309 K HN 0.489 nan 8.250 nan 0.000 0.440 310 Q N -0.471 119.304 119.800 -0.042 0.000 2.482 310 Q HA -0.082 4.258 4.340 0.000 0.000 0.209 310 Q C 1.218 177.200 176.000 -0.030 0.000 0.961 310 Q CA 0.594 56.379 55.803 -0.029 0.000 0.945 310 Q CB 0.449 29.174 28.738 -0.021 0.000 1.012 310 Q HN 0.403 nan 8.270 nan 0.000 0.515 311 E N -1.302 118.872 120.200 -0.044 0.000 2.391 311 E HA 0.074 4.424 4.350 0.000 0.000 0.206 311 E C 0.745 177.323 176.600 -0.037 0.000 0.851 311 E CA 0.432 56.810 56.400 -0.037 0.000 1.059 311 E CB 0.661 30.336 29.700 -0.041 0.000 1.065 311 E HN 0.107 nan 8.360 nan 0.000 0.512 312 S N -0.795 114.868 115.700 -0.062 0.000 2.617 312 S HA 0.363 4.833 4.470 0.000 0.000 0.278 312 S C 0.108 174.679 174.600 -0.047 0.000 1.082 312 S CA 0.056 58.228 58.200 -0.048 0.000 1.228 312 S CB 1.994 65.155 63.200 -0.064 0.000 1.130 312 S HN 0.438 nan 8.310 nan 0.000 0.621 313 G N 1.583 110.342 108.800 -0.068 0.000 3.055 313 G HA2 0.002 3.962 3.960 0.000 0.000 0.686 313 G HA3 0.002 3.962 3.960 0.000 0.000 0.686 313 G C -1.239 173.620 174.900 -0.067 0.000 1.087 313 G CA -0.723 44.348 45.100 -0.049 0.000 0.779 313 G HN 0.368 nan 8.290 nan 0.000 0.599 314 L N 2.003 123.195 121.223 -0.052 0.000 2.370 314 L HA 0.871 5.211 4.340 0.000 0.000 0.266 314 L C 1.129 177.991 176.870 -0.013 0.000 1.002 314 L CA 0.011 54.822 54.840 -0.048 0.000 0.818 314 L CB 2.067 44.091 42.059 -0.057 0.000 1.325 314 L HN 1.107 nan 8.230 nan 0.000 0.418 315 G N 3.331 112.133 108.800 0.003 0.000 2.626 315 G HA2 0.279 4.239 3.960 0.000 0.000 0.193 315 G HA3 0.279 4.239 3.960 0.000 0.000 0.193 315 G C -0.118 174.801 174.900 0.031 0.000 1.195 315 G CA -0.028 45.084 45.100 0.018 0.000 0.864 315 G HN 0.348 nan 8.290 nan 0.000 0.790 316 M N 0.963 120.583 119.600 0.033 0.000 2.365 316 M HA 0.485 4.965 4.480 0.000 0.000 0.287 316 M C -1.984 174.345 176.300 0.048 0.000 1.154 316 M CA -0.342 54.983 55.300 0.041 0.000 0.941 316 M CB 3.009 35.641 32.600 0.052 0.000 1.704 316 M HN -0.098 nan 8.290 nan 0.000 0.479 317 I N 2.965 123.566 120.570 0.051 0.000 2.433 317 I HA 0.587 4.757 4.170 0.000 0.000 0.292 317 I C -0.773 175.393 176.117 0.082 0.000 1.001 317 I CA -0.873 60.486 61.300 0.099 0.000 1.119 317 I CB 2.134 40.210 38.000 0.126 0.000 1.289 317 I HN 0.263 nan 8.210 nan 0.000 0.438 318 V N 7.152 127.141 119.914 0.125 0.000 2.483 318 V HA 0.484 4.604 4.120 0.000 0.000 0.297 318 V C -0.221 175.979 176.094 0.176 0.000 1.027 318 V CA -0.469 61.891 62.300 0.100 0.000 0.855 318 V CB 1.905 33.771 31.823 0.071 0.000 0.995 318 V HN 0.469 nan 8.190 nan 0.000 0.424 319 I N 3.308 123.954 120.570 0.127 0.000 2.355 319 I HA 0.351 4.521 4.170 0.000 0.000 0.288 319 I C -0.381 175.805 176.117 0.115 0.000 0.999 319 I CA -0.450 60.931 61.300 0.134 0.000 1.163 319 I CB 1.666 39.680 38.000 0.024 0.000 1.316 319 I HN 0.501 nan 8.210 nan 0.000 0.454 320 D N 8.041 128.521 120.400 0.133 0.000 2.344 320 D HA 0.068 4.708 4.640 0.000 0.000 0.253 320 D C -0.384 175.985 176.300 0.115 0.000 1.255 320 D CA 0.243 54.333 54.000 0.150 0.000 0.894 320 D CB 0.071 40.963 40.800 0.152 0.000 1.067 320 D HN 0.365 nan 8.370 nan 0.000 0.492 321 Y N 1.631 121.960 120.300 0.049 0.000 2.570 321 Y HA -0.311 4.239 4.550 0.000 0.000 0.061 321 Y C 0.442 176.353 175.900 0.018 0.000 1.748 321 Y CA 0.098 58.218 58.100 0.034 0.000 1.369 321 Y CB -1.074 37.408 38.460 0.038 0.000 2.015 321 Y HN 0.455 nan 8.280 nan 0.000 0.265 322 L N 3.057 124.358 121.223 0.131 0.000 2.046 322 L HA -0.254 4.086 4.340 0.000 0.000 0.208 322 L C 2.244 179.123 176.870 0.015 0.000 1.077 322 L CA 1.938 56.800 54.840 0.036 0.000 0.747 322 L CB -0.278 41.812 42.059 0.051 0.000 0.896 322 L HN 0.913 nan 8.230 nan 0.000 0.432 323 Q N -0.156 119.715 119.800 0.119 0.000 2.561 323 Q HA -0.141 4.199 4.340 0.000 0.000 0.217 323 Q C 1.843 177.836 176.000 -0.012 0.000 0.980 323 Q CA 0.958 56.822 55.803 0.102 0.000 0.927 323 Q CB -0.235 28.636 28.738 0.222 0.000 0.980 323 Q HN 0.596 nan 8.270 nan 0.000 0.525 324 L N 0.055 121.163 121.223 -0.192 0.000 2.463 324 L HA 0.218 4.558 4.340 0.000 0.000 0.219 324 L C 0.848 177.626 176.870 -0.154 0.000 1.088 324 L CA -0.167 54.516 54.840 -0.261 0.000 0.849 324 L CB 0.243 41.976 42.059 -0.543 0.000 1.012 324 L HN 0.103 nan 8.230 nan 0.000 0.468 325 I N 1.621 122.116 120.570 -0.125 0.000 2.668 325 I HA -0.084 4.086 4.170 0.000 0.000 0.285 325 I C 0.671 176.747 176.117 -0.068 0.000 1.168 325 I CA 0.203 61.445 61.300 -0.097 0.000 1.424 325 I CB 0.504 38.446 38.000 -0.097 0.000 1.377 325 I HN 0.292 nan 8.210 nan 0.000 0.560 326 Q N 5.641 125.405 119.800 -0.059 0.000 2.212 326 Q HA 0.618 4.958 4.340 0.000 0.000 0.238 326 Q C 0.227 176.203 176.000 -0.041 0.000 0.955 326 Q CA -0.865 54.913 55.803 -0.042 0.000 0.906 326 Q CB 1.264 29.982 28.738 -0.033 0.000 1.215 326 Q HN 0.675 nan 8.270 nan 0.000 0.478 327 G N 0.108 108.889 108.800 -0.031 0.000 2.510 327 G HA2 0.213 4.173 3.960 0.000 0.000 0.280 327 G HA3 0.213 4.173 3.960 0.000 0.000 0.280 327 G C 0.397 175.280 174.900 -0.027 0.000 1.386 327 G CA -0.300 44.782 45.100 -0.029 0.000 1.047 327 G HN 0.789 nan 8.290 nan 0.000 0.527 328 S N -1.212 114.473 115.700 -0.025 0.000 2.603 328 S HA 0.248 4.718 4.470 0.000 0.000 0.220 328 S C 1.273 175.863 174.600 -0.017 0.000 0.967 328 S CA 0.278 58.465 58.200 -0.022 0.000 0.920 328 S CB -0.015 63.172 63.200 -0.022 0.000 0.773 328 S HN 0.825 nan 8.310 nan 0.000 0.529 329 G N 1.283 110.074 108.800 -0.016 0.000 2.582 329 G HA2 0.594 4.554 3.960 0.000 0.000 0.232 329 G HA3 0.594 4.554 3.960 0.000 0.000 0.232 329 G C -0.011 174.882 174.900 -0.011 0.000 1.458 329 G CA -0.750 44.342 45.100 -0.012 0.000 1.062 329 G HN 0.200 nan 8.290 nan 0.000 0.566 339 V N 1.293 121.203 119.914 -0.006 0.000 2.688 339 V HA -0.145 3.975 4.120 0.000 0.000 0.256 339 V C 1.773 177.863 176.094 -0.007 0.000 1.084 339 V CA 2.658 64.956 62.300 -0.004 0.000 1.103 339 V CB -0.227 31.601 31.823 0.008 0.000 0.688 339 V HN 0.348 nan 8.190 nan 0.000 0.480 340 S N -0.055 115.641 115.700 -0.008 0.000 2.345 340 S HA -0.148 4.322 4.470 0.000 0.000 0.219 340 S C 1.732 176.321 174.600 -0.017 0.000 1.031 340 S CA 1.698 59.892 58.200 -0.010 0.000 0.984 340 S CB -0.271 62.924 63.200 -0.008 0.000 0.874 340 S HN 0.805 nan 8.310 nan 0.000 0.451 341 E N 0.696 120.884 120.200 -0.020 0.000 2.160 341 E HA -0.144 4.206 4.350 0.000 0.000 0.195 341 E C 1.901 178.482 176.600 -0.031 0.000 0.991 341 E CA 1.030 57.415 56.400 -0.025 0.000 0.810 341 E CB -0.288 29.397 29.700 -0.025 0.000 0.742 341 E HN 0.503 nan 8.360 nan 0.000 0.466 342 I N 0.465 121.016 120.570 -0.031 0.000 2.163 342 I HA -0.276 3.894 4.170 0.000 0.000 0.240 342 I C 2.696 178.789 176.117 -0.040 0.000 1.081 342 I CA 0.804 62.080 61.300 -0.041 0.000 1.353 342 I CB -0.417 37.560 38.000 -0.039 0.000 1.054 342 I HN 0.076 nan 8.210 nan 0.000 0.407 343 S N 0.770 116.452 115.700 -0.030 0.000 2.365 343 S HA -0.296 4.174 4.470 0.000 0.000 0.221 343 S C 2.265 176.846 174.600 -0.032 0.000 1.037 343 S CA 1.877 60.060 58.200 -0.028 0.000 1.060 343 S CB -0.345 62.844 63.200 -0.018 0.000 0.974 343 S HN 0.263 nan 8.310 nan 0.000 0.427 344 R N 0.172 120.655 120.500 -0.028 0.000 2.119 344 R HA -0.116 4.224 4.340 0.000 0.000 0.246 344 R C 2.674 178.954 176.300 -0.034 0.000 1.146 344 R CA 1.843 57.925 56.100 -0.029 0.000 0.962 344 R CB -0.733 29.549 30.300 -0.028 0.000 0.863 344 R HN 0.500 nan 8.270 nan 0.000 0.442 345 S N -0.001 115.676 115.700 -0.039 0.000 2.383 345 S HA -0.043 4.427 4.470 0.000 0.000 0.227 345 S C 1.898 176.468 174.600 -0.050 0.000 1.026 345 S CA 0.839 59.013 58.200 -0.044 0.000 0.981 345 S CB -0.078 63.092 63.200 -0.050 0.000 0.818 345 S HN 0.329 nan 8.310 nan 0.000 0.472 346 L N 0.819 122.010 121.223 -0.054 0.000 2.093 346 L HA -0.051 4.289 4.340 0.000 0.000 0.208 346 L C 2.632 179.474 176.870 -0.047 0.000 1.085 346 L CA 1.423 56.227 54.840 -0.060 0.000 0.755 346 L CB -0.463 41.558 42.059 -0.063 0.000 0.904 346 L HN 0.281 nan 8.230 nan 0.000 0.435 347 K N 0.893 121.269 120.400 -0.039 0.000 2.057 347 K HA -0.108 4.212 4.320 0.000 0.000 0.206 347 K C 2.031 178.615 176.600 -0.028 0.000 1.050 347 K CA 1.624 57.891 56.287 -0.032 0.000 0.935 347 K CB -0.373 32.111 32.500 -0.027 0.000 0.715 347 K HN 0.175 nan 8.250 nan 0.000 0.439 348 A N 1.010 123.812 122.820 -0.029 0.000 1.883 348 A HA -0.134 4.186 4.320 0.000 0.000 0.217 348 A C 2.123 179.691 177.584 -0.026 0.000 1.186 348 A CA 1.732 53.754 52.037 -0.026 0.000 0.624 348 A CB -0.907 18.077 19.000 -0.028 0.000 0.822 348 A HN 0.404 nan 8.150 nan 0.000 0.444 349 L N 0.035 121.238 121.223 -0.033 0.000 1.997 349 L HA -0.194 4.146 4.340 0.000 0.000 0.216 349 L C 2.641 179.497 176.870 -0.023 0.000 1.074 349 L CA 2.593 57.414 54.840 -0.033 0.000 0.763 349 L CB -1.073 40.957 42.059 -0.049 0.000 0.890 349 L HN 0.369 nan 8.230 nan 0.000 0.434 350 A N -0.590 122.216 122.820 -0.024 0.000 1.908 350 A HA -0.240 4.080 4.320 0.000 0.000 0.218 350 A C 2.466 180.044 177.584 -0.011 0.000 1.181 350 A CA 1.961 53.987 52.037 -0.017 0.000 0.627 350 A CB -0.612 18.375 19.000 -0.022 0.000 0.818 350 A HN 0.544 nan 8.150 nan 0.000 0.445 351 R N -0.942 119.551 120.500 -0.012 0.000 2.096 351 R HA -0.126 4.214 4.340 0.000 0.000 0.235 351 R C 2.316 178.612 176.300 -0.006 0.000 1.127 351 R CA 1.438 57.533 56.100 -0.008 0.000 0.968 351 R CB -0.247 30.047 30.300 -0.009 0.000 0.861 351 R HN 0.780 nan 8.270 nan 0.000 0.440 352 E N 0.390 120.584 120.200 -0.009 0.000 2.072 352 E HA -0.156 4.194 4.350 0.000 0.000 0.191 352 E C 1.130 177.727 176.600 -0.006 0.000 0.985 352 E CA 0.913 57.308 56.400 -0.008 0.000 0.801 352 E CB 0.224 29.918 29.700 -0.011 0.000 0.750 352 E HN 0.095 nan 8.360 nan 0.000 0.452 353 L N 1.258 122.477 121.223 -0.006 0.000 2.592 353 L HA 0.091 4.431 4.340 0.000 0.000 0.227 353 L C -0.030 176.839 176.870 -0.001 0.000 1.127 353 L CA 0.622 55.459 54.840 -0.004 0.000 0.884 353 L CB -0.168 41.890 42.059 -0.002 0.000 1.065 353 L HN 0.064 nan 8.230 nan 0.000 0.457 354 E N -0.623 119.577 120.200 0.000 0.000 2.199 354 E HA -0.201 4.149 4.350 0.000 0.000 0.208 354 E C -0.594 176.011 176.600 0.008 0.000 1.310 354 E CA 0.045 56.448 56.400 0.004 0.000 0.709 354 E CB -1.300 28.403 29.700 0.004 0.000 1.127 354 E HN 0.126 nan 8.360 nan 0.000 0.354 355 V N 0.774 120.693 119.914 0.008 0.000 2.777 355 V HA 0.331 4.451 4.120 0.000 0.000 0.306 355 V C -2.123 173.977 176.094 0.010 0.000 1.112 355 V CA -1.778 60.530 62.300 0.013 0.000 0.917 355 V CB 2.393 34.224 31.823 0.012 0.000 1.018 355 V HN 0.037 nan 8.190 nan 0.000 0.426 356 P HA 0.128 nan 4.420 nan 0.000 0.267 356 P C -0.793 176.487 177.300 -0.035 0.000 1.205 356 P CA 0.209 63.305 63.100 -0.006 0.000 0.765 356 P CB 0.937 32.656 31.700 0.031 0.000 0.828 357 V N 6.046 125.922 119.914 -0.063 0.000 2.350 357 V HA 0.294 4.414 4.120 0.000 0.000 0.285 357 V C 0.575 176.604 176.094 -0.109 0.000 1.014 357 V CA -0.509 61.755 62.300 -0.060 0.000 0.831 357 V CB 1.048 32.845 31.823 -0.044 0.000 1.000 357 V HN 0.389 nan 8.190 nan 0.000 0.433 358 I N 4.689 125.191 120.570 -0.113 0.000 2.297 358 I HA 0.566 4.736 4.170 0.000 0.000 0.291 358 I C 0.593 176.676 176.117 -0.056 0.000 1.033 358 I CA -0.097 61.116 61.300 -0.145 0.000 1.253 358 I CB 1.247 39.132 38.000 -0.192 0.000 1.396 358 I HN 0.646 nan 8.210 nan 0.000 0.476 359 A N 8.148 130.937 122.820 -0.053 0.000 2.258 359 A HA 0.655 4.975 4.320 0.000 0.000 0.316 359 A C -0.279 177.316 177.584 0.017 0.000 1.279 359 A CA -0.530 51.501 52.037 -0.010 0.000 0.876 359 A CB 0.454 19.439 19.000 -0.025 0.000 1.170 359 A HN 0.686 nan 8.150 nan 0.000 0.520 360 L N 1.801 123.066 121.223 0.069 0.000 2.452 360 L HA 0.468 4.808 4.340 0.000 0.000 0.267 360 L C 0.872 177.817 176.870 0.125 0.000 1.188 360 L CA 0.037 54.939 54.840 0.103 0.000 0.821 360 L CB 1.349 43.501 42.059 0.154 0.000 1.102 360 L HN 0.708 nan 8.230 nan 0.000 0.470 361 S N 1.175 116.931 115.700 0.094 0.000 2.588 361 S HA 0.432 4.902 4.470 0.000 0.000 0.275 361 S C -1.116 173.506 174.600 0.037 0.000 1.130 361 S CA -0.663 57.593 58.200 0.094 0.000 0.855 361 S CB 2.056 65.298 63.200 0.070 0.000 1.116 361 S HN 0.616 nan 8.310 nan 0.000 0.472 362 Q N 1.802 121.609 119.800 0.011 0.000 2.306 362 Q HA 0.657 4.997 4.340 0.000 0.000 0.265 362 Q C -1.289 174.714 176.000 0.004 0.000 1.022 362 Q CA -0.668 55.098 55.803 -0.061 0.000 0.853 362 Q CB 1.383 30.005 28.738 -0.194 0.000 1.327 362 Q HN 0.696 nan 8.270 nan 0.000 0.449 363 L N 1.903 123.125 121.223 -0.000 0.000 2.357 363 L HA 0.418 4.758 4.340 0.000 0.000 0.273 363 L C 0.151 177.014 176.870 -0.011 0.000 1.080 363 L CA -0.623 54.224 54.840 0.010 0.000 0.803 363 L CB 1.500 43.558 42.059 -0.002 0.000 1.174 363 L HN 0.726 nan 8.230 nan 0.000 0.443 364 S N 1.406 117.101 115.700 -0.009 0.000 2.585 364 S HA 0.201 4.671 4.470 0.000 0.000 0.273 364 S C 0.596 175.181 174.600 -0.025 0.000 1.339 364 S CA -0.674 57.518 58.200 -0.014 0.000 1.028 364 S CB 0.670 63.865 63.200 -0.009 0.000 0.906 364 S HN 0.577 nan 8.310 nan 0.000 0.528 365 R N 1.318 121.806 120.500 -0.020 0.000 2.526 365 R HA 0.096 4.436 4.340 0.000 0.000 0.223 365 R C 1.130 177.415 176.300 -0.025 0.000 1.250 365 R CA 0.198 56.285 56.100 -0.021 0.000 1.227 365 R CB -0.652 29.639 30.300 -0.016 0.000 1.109 365 R HN 0.635 nan 8.270 nan 0.000 0.499 366 S N -0.376 115.305 115.700 -0.033 0.000 2.414 366 S HA -0.067 4.403 4.470 0.000 0.000 0.227 366 S C 2.008 176.580 174.600 -0.048 0.000 1.022 366 S CA 0.659 58.836 58.200 -0.039 0.000 0.958 366 S CB 0.150 63.323 63.200 -0.046 0.000 0.797 366 S HN 0.152 nan 8.310 nan 0.000 0.493 367 V N 1.752 121.632 119.914 -0.056 0.000 2.287 367 V HA -0.165 3.955 4.120 0.000 0.000 0.248 367 V C 1.249 177.329 176.094 -0.024 0.000 1.053 367 V CA 1.407 63.674 62.300 -0.056 0.000 1.027 367 V CB -0.692 31.099 31.823 -0.052 0.000 0.646 367 V HN 0.457 nan 8.190 nan 0.000 0.447 375 P HA 0.292 nan 4.420 nan 0.000 0.278 375 P C -0.693 176.171 177.300 -0.728 0.000 1.238 375 P CA -0.342 62.434 63.100 -0.540 0.000 0.794 375 P CB 1.058 32.378 31.700 -0.633 0.000 0.955 376 M N 0.106 119.294 119.600 -0.687 0.000 2.846 376 M HA 0.410 4.890 4.480 0.000 0.000 0.282 376 M C 0.769 176.871 176.300 -0.329 0.000 1.266 376 M CA -1.052 53.957 55.300 -0.486 0.000 0.766 376 M CB 0.899 33.376 32.600 -0.206 0.000 1.739 376 M HN -0.121 nan 8.290 nan 0.000 0.442 377 M N 1.013 120.622 119.600 0.014 0.000 2.202 377 M HA -0.093 4.387 4.480 0.000 0.000 0.262 377 M C 2.199 178.544 176.300 0.076 0.000 1.063 377 M CA 2.415 57.815 55.300 0.167 0.000 1.097 377 M CB -1.470 31.212 32.600 0.136 0.000 1.382 377 M HN 0.995 nan 8.290 nan 0.000 0.413 378 S N -0.272 115.427 115.700 -0.002 0.000 2.447 378 S HA -0.124 4.346 4.470 0.000 0.000 0.233 378 S C 1.246 175.835 174.600 -0.018 0.000 1.006 378 S CA 1.072 59.267 58.200 -0.010 0.000 0.957 378 S CB -0.418 62.765 63.200 -0.029 0.000 0.773 378 S HN 0.402 nan 8.310 nan 0.000 0.507 379 D N 1.940 122.307 120.400 -0.054 0.000 2.312 379 D HA 0.067 4.707 4.640 0.000 0.000 0.211 379 D C 1.724 178.032 176.300 0.014 0.000 0.964 379 D CA 1.086 55.052 54.000 -0.058 0.000 0.877 379 D CB -0.137 40.570 40.800 -0.155 0.000 0.924 379 D HN 0.801 nan 8.370 nan 0.000 0.515 380 I N -2.852 117.763 120.570 0.074 0.000 4.181 380 I HA 0.279 4.449 4.170 0.000 0.000 0.331 380 I C 1.990 178.146 176.117 0.064 0.000 1.312 380 I CA -0.237 61.122 61.300 0.098 0.000 1.146 380 I CB 0.369 38.470 38.000 0.168 0.000 1.074 380 I HN -0.293 nan 8.210 nan 0.000 0.402 381 R N 2.126 122.658 120.500 0.052 0.000 2.148 381 R HA 0.005 4.345 4.340 0.000 0.000 0.223 381 R C 1.881 178.194 176.300 0.020 0.000 1.088 381 R CA 1.306 57.426 56.100 0.035 0.000 0.985 381 R CB -0.379 29.939 30.300 0.030 0.000 0.880 381 R HN 0.411 nan 8.270 nan 0.000 0.451 382 E N -0.468 119.741 120.200 0.015 0.000 2.347 382 E HA 0.005 4.355 4.350 0.000 0.000 0.196 382 E C 0.206 176.814 176.600 0.014 0.000 1.008 382 E CA 0.729 57.135 56.400 0.009 0.000 0.852 382 E CB 0.186 29.887 29.700 0.002 0.000 0.783 382 E HN 0.122 nan 8.360 nan 0.000 0.505 383 S N 0.579 116.292 115.700 0.022 0.000 2.661 383 S HA 0.335 4.805 4.470 0.000 0.000 0.245 383 S C 0.605 175.222 174.600 0.028 0.000 1.117 383 S CA -0.171 58.044 58.200 0.026 0.000 1.091 383 S CB 0.996 64.216 63.200 0.034 0.000 0.887 383 S HN 0.263 nan 8.310 nan 0.000 0.491 384 G N 1.321 110.135 108.800 0.023 0.000 2.529 384 G HA2 0.278 4.238 3.960 0.000 0.000 0.277 384 G HA3 0.278 4.238 3.960 0.000 0.000 0.277 384 G C 0.215 175.123 174.900 0.013 0.000 1.383 384 G CA -0.370 44.743 45.100 0.021 0.000 1.050 384 G HN 0.356 nan 8.290 nan 0.000 0.526 385 S N -0.527 115.178 115.700 0.008 0.000 2.577 385 S HA 0.165 4.635 4.470 0.000 0.000 0.239 385 S C 1.855 176.459 174.600 0.008 0.000 1.236 385 S CA -0.597 57.609 58.200 0.010 0.000 1.233 385 S CB -0.917 62.287 63.200 0.006 0.000 0.908 385 S HN 0.439 nan 8.310 nan 0.000 0.493 386 I N -0.051 120.525 120.570 0.010 0.000 2.361 386 I HA -0.122 4.048 4.170 0.000 0.000 0.251 386 I C 2.340 178.456 176.117 -0.001 0.000 1.133 386 I CA 1.065 62.367 61.300 0.002 0.000 1.413 386 I CB -0.436 37.568 38.000 0.006 0.000 1.073 386 I HN 0.458 nan 8.210 nan 0.000 0.424 387 E N 1.306 121.513 120.200 0.012 0.000 2.136 387 E HA -0.343 4.007 4.350 0.000 0.000 0.202 387 E C 2.201 178.804 176.600 0.005 0.000 1.019 387 E CA 2.021 58.430 56.400 0.014 0.000 0.819 387 E CB 0.031 29.749 29.700 0.030 0.000 0.739 387 E HN 0.561 nan 8.360 nan 0.000 0.458 388 Q N 0.047 119.850 119.800 0.006 0.000 2.061 388 Q HA -0.097 4.243 4.340 0.000 0.000 0.195 388 Q C 1.897 177.896 176.000 -0.001 0.000 0.967 388 Q CA 1.544 57.351 55.803 0.007 0.000 0.829 388 Q CB 0.147 28.892 28.738 0.012 0.000 0.900 388 Q HN 0.284 nan 8.270 nan 0.000 0.450 389 D N 0.868 121.265 120.400 -0.006 0.000 2.123 389 D HA -0.093 4.547 4.640 0.000 0.000 0.196 389 D C 0.176 176.465 176.300 -0.018 0.000 0.992 389 D CA 1.080 55.072 54.000 -0.013 0.000 0.833 389 D CB -0.401 40.388 40.800 -0.017 0.000 0.954 389 D HN 0.262 nan 8.370 nan 0.000 0.455 390 A N 1.381 124.186 122.820 -0.024 0.000 2.488 390 A HA 0.097 4.417 4.320 0.000 0.000 0.249 390 A C 0.430 177.998 177.584 -0.027 0.000 1.083 390 A CA -0.171 51.844 52.037 -0.036 0.000 0.768 390 A CB 0.281 19.250 19.000 -0.051 0.000 1.017 390 A HN 0.055 nan 8.150 nan 0.000 0.496 391 D N 0.866 121.251 120.400 -0.025 0.000 2.349 391 D HA 0.231 4.871 4.640 0.000 0.000 0.214 391 D C 0.127 176.420 176.300 -0.012 0.000 1.063 391 D CA 0.245 54.238 54.000 -0.012 0.000 0.847 391 D CB 0.106 40.905 40.800 -0.002 0.000 0.933 391 D HN 0.459 nan 8.370 nan 0.000 0.513 392 I N -0.317 120.233 120.570 -0.033 0.000 2.685 392 I HA 0.338 4.508 4.170 0.000 0.000 0.289 392 I C -2.087 173.973 176.117 -0.094 0.000 1.292 392 I CA -0.890 60.387 61.300 -0.038 0.000 1.050 392 I CB 1.869 39.874 38.000 0.009 0.000 1.301 392 I HN -0.328 nan 8.210 nan 0.000 0.425 393 V N 6.760 126.591 119.914 -0.138 0.000 2.540 393 V HA 0.904 5.024 4.120 0.000 0.000 0.302 393 V C -0.040 175.826 176.094 -0.380 0.000 1.035 393 V CA -0.311 61.820 62.300 -0.282 0.000 0.873 393 V CB 1.584 33.213 31.823 -0.324 0.000 0.992 393 V HN 0.836 nan 8.190 nan 0.000 0.428 394 A N 4.811 127.357 122.820 -0.456 0.000 2.374 394 A HA 0.912 5.232 4.320 0.000 0.000 0.305 394 A C -1.209 176.078 177.584 -0.495 0.000 1.053 394 A CA -0.400 51.412 52.037 -0.375 0.000 0.726 394 A CB 1.018 19.941 19.000 -0.127 0.000 1.229 394 A HN 0.619 nan 8.150 nan 0.000 0.431 395 F N 1.064 120.975 119.950 -0.066 0.000 2.483 395 F HA 0.661 5.188 4.527 -0.000 0.000 0.329 395 F C 0.120 175.843 175.800 -0.127 0.000 1.064 395 F CA -0.793 57.160 58.000 -0.078 0.000 0.986 395 F CB 1.772 40.740 39.000 -0.053 0.000 1.218 395 F HN 0.313 nan 8.300 nan 0.000 0.484 396 L N 2.339 123.619 121.223 0.096 0.000 2.362 396 L HA 0.507 4.847 4.340 0.000 0.000 0.275 396 L C -1.283 175.643 176.870 0.093 0.000 0.998 396 L CA -0.867 53.952 54.840 -0.035 0.000 0.820 396 L CB 2.005 43.949 42.059 -0.191 0.000 1.270 396 L HN 0.647 nan 8.230 nan 0.000 0.415 410 N N 3.395 122.116 118.700 0.035 0.000 2.455 410 N HA 0.076 4.816 4.740 0.000 0.000 0.258 410 N C 0.032 175.599 175.510 0.095 0.000 1.158 410 N CA -0.206 52.883 53.050 0.064 0.000 0.893 410 N CB 0.400 38.921 38.487 0.057 0.000 1.173 410 N HN 0.477 nan 8.380 nan 0.000 0.503 411 I N 0.438 121.049 120.570 0.068 0.000 2.428 411 I HA 0.337 4.507 4.170 0.000 0.000 0.296 411 I C -0.545 175.611 176.117 0.066 0.000 0.985 411 I CA -0.865 60.484 61.300 0.082 0.000 1.260 411 I CB 1.398 39.434 38.000 0.061 0.000 1.389 411 I HN -0.003 nan 8.210 nan 0.000 0.484 412 I N 6.360 126.993 120.570 0.106 0.000 2.740 412 I HA 0.418 4.588 4.170 0.000 0.000 0.303 412 I C -0.759 175.385 176.117 0.045 0.000 1.044 412 I CA -0.513 60.830 61.300 0.072 0.000 1.064 412 I CB 2.091 40.205 38.000 0.191 0.000 1.249 412 I HN 0.630 nan 8.210 nan 0.000 0.433 413 E N 6.291 126.507 120.200 0.028 0.000 2.171 413 E HA 0.464 4.814 4.350 0.000 0.000 0.271 413 E C -1.016 175.566 176.600 -0.030 0.000 0.916 413 E CA -0.614 55.809 56.400 0.039 0.000 0.774 413 E CB 2.552 32.336 29.700 0.138 0.000 1.128 413 E HN 0.376 nan 8.360 nan 0.000 0.403 414 I N 4.739 125.264 120.570 -0.076 0.000 2.347 414 I HA 0.284 4.454 4.170 0.000 0.000 0.283 414 I C -0.278 175.817 176.117 -0.038 0.000 1.058 414 I CA -0.403 60.813 61.300 -0.140 0.000 1.202 414 I CB 0.360 38.232 38.000 -0.214 0.000 1.386 414 I HN 0.324 nan 8.210 nan 0.000 0.475 415 I N 6.637 127.217 120.570 0.016 0.000 2.325 415 I HA 0.288 4.458 4.170 0.000 0.000 0.291 415 I C 0.143 176.287 176.117 0.045 0.000 1.019 415 I CA -0.293 61.045 61.300 0.062 0.000 1.302 415 I CB 1.004 39.076 38.000 0.120 0.000 1.401 415 I HN 0.429 nan 8.210 nan 0.000 0.485 416 I N 6.274 126.861 120.570 0.027 0.000 2.282 416 I HA 0.200 4.370 4.170 0.000 0.000 0.290 416 I C 1.163 177.293 176.117 0.022 0.000 1.090 416 I CA 0.079 61.381 61.300 0.003 0.000 1.231 416 I CB 1.348 39.362 38.000 0.022 0.000 1.434 416 I HN 0.753 nan 8.210 nan 0.000 0.487 417 A N 6.207 129.034 122.820 0.012 0.000 2.132 417 A HA 0.098 4.418 4.320 0.000 0.000 0.213 417 A C 0.888 178.491 177.584 0.031 0.000 1.154 417 A CA 0.572 52.655 52.037 0.075 0.000 0.753 417 A CB 0.184 19.332 19.000 0.248 0.000 0.826 417 A HN 0.636 nan 8.150 nan 0.000 0.469 418 K N -0.104 120.285 120.400 -0.019 0.000 2.535 418 K HA 0.480 4.800 4.320 0.000 0.000 0.251 418 K C -1.640 174.954 176.600 -0.009 0.000 0.942 418 K CA -0.462 55.819 56.287 -0.011 0.000 0.798 418 K CB 1.260 33.748 32.500 -0.021 0.000 1.267 418 K HN 0.200 nan 8.250 nan 0.000 0.434 419 Q N 4.090 123.894 119.800 0.008 0.000 2.281 419 Q HA 0.299 4.639 4.340 0.000 0.000 0.263 419 Q C -0.258 175.753 176.000 0.018 0.000 0.989 419 Q CA -0.590 55.224 55.803 0.018 0.000 0.852 419 Q CB 1.574 30.330 28.738 0.030 0.000 1.337 419 Q HN 0.739 nan 8.270 nan 0.000 0.418 420 R N 1.760 122.271 120.500 0.018 0.000 2.090 420 R HA 0.042 4.382 4.340 0.000 0.000 0.228 420 R C 0.016 176.327 176.300 0.018 0.000 1.110 420 R CA 0.806 56.916 56.100 0.017 0.000 0.973 420 R CB 0.263 30.572 30.300 0.015 0.000 0.869 420 R HN 0.425 nan 8.270 nan 0.000 0.440 421 N N 0.197 118.911 118.700 0.023 0.000 2.626 421 N HA 0.275 5.015 4.740 0.000 0.000 0.249 421 N C -1.135 174.389 175.510 0.023 0.000 1.021 421 N CA 0.250 53.312 53.050 0.021 0.000 0.886 421 N CB 1.409 39.908 38.487 0.021 0.000 1.149 421 N HN 0.342 nan 8.380 nan 0.000 0.517 422 G N 2.399 111.210 108.800 0.018 0.000 2.369 422 G HA2 0.046 4.006 3.960 0.000 0.000 0.307 422 G HA3 0.046 4.006 3.960 0.000 0.000 0.307 422 G C -3.254 171.655 174.900 0.016 0.000 1.327 422 G CA -0.928 44.183 45.100 0.018 0.000 0.963 422 G HN 0.309 nan 8.290 nan 0.000 0.590 423 P HA 0.609 nan 4.420 nan 0.000 0.279 423 P C -0.692 176.621 177.300 0.022 0.000 1.282 423 P CA -0.427 62.682 63.100 0.016 0.000 0.788 423 P CB 1.562 33.274 31.700 0.020 0.000 1.139 424 V N -0.419 119.509 119.914 0.023 0.000 2.577 424 V HA 0.758 4.878 4.120 0.000 0.000 0.303 424 V C 0.560 176.673 176.094 0.032 0.000 1.042 424 V CA 0.153 62.470 62.300 0.028 0.000 0.872 424 V CB 1.215 33.055 31.823 0.028 0.000 0.998 424 V HN 1.087 nan 8.190 nan 0.000 0.423 425 G N 3.269 112.090 108.800 0.034 0.000 2.435 425 G HA2 0.518 4.478 3.960 0.000 0.000 0.296 425 G HA3 0.518 4.478 3.960 0.000 0.000 0.296 425 G C -1.031 173.888 174.900 0.033 0.000 1.240 425 G CA -0.228 44.893 45.100 0.035 0.000 0.872 425 G HN 0.496 nan 8.290 nan 0.000 0.480 426 T N 0.516 115.087 114.554 0.029 0.000 2.786 426 T HA 0.624 4.974 4.350 0.000 0.000 0.283 426 T C -0.337 174.374 174.700 0.019 0.000 0.992 426 T CA -0.337 61.778 62.100 0.025 0.000 0.954 426 T CB 1.701 70.585 68.868 0.028 0.000 0.934 426 T HN 0.522 nan 8.240 nan 0.000 0.440 427 V N 3.245 123.165 119.914 0.010 0.000 2.713 427 V HA 0.497 4.617 4.120 0.000 0.000 0.307 427 V C -0.017 176.078 176.094 0.002 0.000 1.052 427 V CA -0.824 61.481 62.300 0.008 0.000 0.967 427 V CB 1.898 33.727 31.823 0.010 0.000 1.019 427 V HN 0.802 nan 8.190 nan 0.000 0.459 428 Q N 2.296 122.105 119.800 0.015 0.000 2.342 428 Q HA 0.778 5.118 4.340 0.000 0.000 0.267 428 Q C -1.607 174.415 176.000 0.037 0.000 1.038 428 Q CA -0.490 55.328 55.803 0.025 0.000 0.832 428 Q CB 2.090 30.852 28.738 0.039 0.000 1.323 428 Q HN 0.627 nan 8.270 nan 0.000 0.448 429 L N 0.944 122.200 121.223 0.054 0.000 2.376 429 L HA 0.858 5.198 4.340 0.000 0.000 0.258 429 L C -1.104 175.878 176.870 0.187 0.000 1.013 429 L CA -1.168 53.739 54.840 0.113 0.000 0.822 429 L CB 2.188 44.284 42.059 0.061 0.000 1.388 429 L HN 0.670 nan 8.230 nan 0.000 0.413 430 A N 1.082 124.026 122.820 0.208 0.000 2.317 430 A HA 0.674 4.994 4.320 0.000 0.000 0.327 430 A C -1.378 176.329 177.584 0.205 0.000 1.178 430 A CA -0.255 51.892 52.037 0.184 0.000 0.817 430 A CB 0.855 19.924 19.000 0.116 0.000 1.189 430 A HN 0.474 nan 8.150 nan 0.000 0.489 431 F N 2.988 122.906 119.950 -0.053 0.000 2.436 431 F HA 0.680 5.207 4.527 0.000 0.000 0.340 431 F C -0.565 175.134 175.800 -0.167 0.000 1.113 431 F CA -1.057 56.769 58.000 -0.290 0.000 1.022 431 F CB 1.143 39.873 39.000 -0.449 0.000 1.128 431 F HN 0.430 nan 8.300 nan 0.000 0.466 432 I N 7.521 127.596 120.570 -0.825 0.000 2.354 432 I HA 0.269 4.439 4.170 0.000 0.000 0.286 432 I C 0.717 176.305 176.117 -0.882 0.000 1.007 432 I CA -0.598 60.360 61.300 -0.571 0.000 1.167 432 I CB 1.615 39.507 38.000 -0.179 0.000 1.320 432 I HN 0.684 nan 8.210 nan 0.000 0.458 433 K N 3.423 123.454 120.400 -0.615 0.000 2.097 433 K HA -0.180 4.140 4.320 0.000 0.000 0.206 433 K C 1.316 177.714 176.600 -0.337 0.000 1.049 433 K CA 1.569 57.615 56.287 -0.401 0.000 0.933 433 K CB 0.086 32.527 32.500 -0.099 0.000 0.717 433 K HN 0.545 nan 8.250 nan 0.000 0.442 434 E N -0.237 119.718 120.200 -0.408 0.000 2.153 434 E HA -0.158 4.192 4.350 0.000 0.000 0.194 434 E C 1.250 177.508 176.600 -0.570 0.000 0.988 434 E CA 1.364 57.448 56.400 -0.527 0.000 0.811 434 E CB -0.096 29.154 29.700 -0.750 0.000 0.746 434 E HN 0.476 nan 8.360 nan 0.000 0.466 435 Y N -1.194 118.999 120.300 -0.180 0.000 2.442 435 Y HA 0.241 4.791 4.550 0.000 0.000 0.250 435 Y C 0.486 176.295 175.900 -0.151 0.000 1.113 435 Y CA -0.114 57.903 58.100 -0.140 0.000 1.273 435 Y CB 0.343 38.729 38.460 -0.123 0.000 1.138 435 Y HN -0.101 nan 8.280 nan 0.000 0.522 436 N N 1.065 119.660 118.700 -0.174 0.000 2.783 436 N HA -0.207 4.533 4.740 0.000 0.000 0.247 436 N C -0.877 174.569 175.510 -0.108 0.000 1.089 436 N CA 0.415 53.368 53.050 -0.162 0.000 0.690 436 N CB -0.742 37.777 38.487 0.054 0.000 0.991 436 N HN 0.294 nan 8.380 nan 0.000 0.552 437 K N 0.030 120.245 120.400 -0.308 0.000 2.267 437 K HA 0.486 4.806 4.320 0.000 0.000 0.246 437 K C -0.770 175.737 176.600 -0.155 0.000 0.954 437 K CA -0.603 55.646 56.287 -0.063 0.000 0.824 437 K CB 0.851 33.362 32.500 0.019 0.000 1.167 437 K HN 0.022 nan 8.250 nan 0.000 0.431 438 F N 1.526 121.659 119.950 0.305 0.000 2.444 438 F HA 0.348 4.875 4.527 -0.000 0.000 0.342 438 F C -0.060 175.975 175.800 0.392 0.000 1.121 438 F CA -0.753 57.435 58.000 0.313 0.000 0.997 438 F CB 1.593 40.716 39.000 0.205 0.000 1.130 438 F HN 0.016 nan 8.300 nan 0.000 0.454 439 V N 2.450 122.616 119.914 0.419 0.000 2.960 439 V HA 0.420 4.540 4.120 0.000 0.000 0.315 439 V C -0.076 176.209 176.094 0.318 0.000 1.087 439 V CA -1.343 61.173 62.300 0.360 0.000 0.982 439 V CB 1.744 33.677 31.823 0.184 0.000 1.039 439 V HN 0.611 nan 8.190 nan 0.000 0.437 440 N N 0.748 119.625 118.700 0.294 0.000 2.235 440 N HA 0.424 5.164 4.740 0.000 0.000 0.231 440 N C -0.526 175.067 175.510 0.138 0.000 1.330 440 N CA -0.096 53.085 53.050 0.219 0.000 0.898 440 N CB 0.449 39.042 38.487 0.177 0.000 1.151 440 N HN 0.490 nan 8.380 nan 0.000 0.472 441 L N 0.000 121.286 121.223 0.105 0.000 2.949 441 L HA 0.000 4.340 4.340 0.000 0.000 0.249 441 L CA 0.000 54.886 54.840 0.077 0.000 0.813 441 L CB 0.000 42.103 42.059 0.074 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502