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 1h3b_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE 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 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.486 177.584 -0.163 0.000 1.274 10 A CA 0.000 51.903 52.037 -0.223 0.000 0.836 10 A CB 0.000 18.916 19.000 -0.139 0.000 0.831 11 Y N 0.682 121.046 120.300 0.106 0.000 2.333 11 Y HA 0.270 4.821 4.550 0.001 0.000 0.290 11 Y C 2.391 178.357 175.900 0.110 0.000 1.144 11 Y CA 1.133 59.305 58.100 0.120 0.000 1.228 11 Y CB -1.524 37.036 38.460 0.167 0.000 0.985 11 Y HN 0.511 nan 8.280 nan 0.000 0.542 12 A N 1.671 124.559 122.820 0.113 0.000 1.894 12 A HA -0.363 3.958 4.320 0.001 0.000 0.220 12 A C 2.411 180.084 177.584 0.148 0.000 1.237 12 A CA 2.815 54.968 52.037 0.193 0.000 0.660 12 A CB -1.079 17.920 19.000 -0.003 0.000 0.835 12 A HN 0.543 nan 8.150 nan 0.000 0.461 13 R N -1.587 118.953 120.500 0.068 0.000 2.091 13 R HA -0.119 4.221 4.340 0.001 0.000 0.238 13 R C 2.396 178.737 176.300 0.068 0.000 1.136 13 R CA 1.895 58.025 56.100 0.050 0.000 0.959 13 R CB -0.713 29.595 30.300 0.013 0.000 0.856 13 R HN 0.632 nan 8.270 nan 0.000 0.437 14 T N 1.384 116.000 114.554 0.103 0.000 2.699 14 T HA -0.177 4.173 4.350 0.001 0.000 0.268 14 T C 1.713 176.508 174.700 0.159 0.000 1.036 14 T CA 1.206 63.371 62.100 0.108 0.000 1.147 14 T CB -0.120 68.867 68.868 0.199 0.000 0.862 14 T HN 0.188 nan 8.240 nan 0.000 0.446 15 L N 0.610 121.962 121.223 0.215 0.000 2.023 15 L HA -0.071 4.269 4.340 0.001 0.000 0.205 15 L C 2.242 179.199 176.870 0.145 0.000 1.073 15 L CA 1.501 56.467 54.840 0.210 0.000 0.745 15 L CB -0.269 41.928 42.059 0.230 0.000 0.900 15 L HN 0.126 nan 8.230 nan 0.000 0.435 16 D N -0.338 120.133 120.400 0.117 0.000 2.221 16 D HA -0.188 4.453 4.640 0.001 0.000 0.204 16 D C 2.223 178.563 176.300 0.067 0.000 0.982 16 D CA 1.027 55.077 54.000 0.084 0.000 0.857 16 D CB -0.022 40.819 40.800 0.067 0.000 0.934 16 D HN 0.377 nan 8.370 nan 0.000 0.475 17 R N 0.356 120.887 120.500 0.051 0.000 2.093 17 R HA 0.082 4.423 4.340 0.001 0.000 0.224 17 R C 2.280 178.604 176.300 0.040 0.000 1.101 17 R CA 0.832 56.941 56.100 0.015 0.000 0.979 17 R CB -0.043 30.226 30.300 -0.052 0.000 0.877 17 R HN 0.051 nan 8.270 nan 0.000 0.441 18 A N 0.616 123.485 122.820 0.081 0.000 1.930 18 A HA -0.088 4.233 4.320 0.001 0.000 0.217 18 A C 2.262 179.959 177.584 0.188 0.000 1.175 18 A CA 1.112 53.260 52.037 0.185 0.000 0.627 18 A CB -0.407 18.816 19.000 0.372 0.000 0.815 18 A HN 0.084 nan 8.150 nan 0.000 0.443 19 V N 0.162 120.152 119.914 0.126 0.000 2.237 19 V HA -0.275 3.845 4.120 0.001 0.000 0.245 19 V C 2.384 178.526 176.094 0.079 0.000 1.046 19 V CA 2.294 64.640 62.300 0.078 0.000 1.007 19 V CB -0.900 30.957 31.823 0.057 0.000 0.638 19 V HN 0.642 nan 8.190 nan 0.000 0.445 20 E N -1.062 119.187 120.200 0.082 0.000 2.171 20 E HA -0.298 4.053 4.350 0.001 0.000 0.197 20 E C 2.057 178.711 176.600 0.089 0.000 0.997 20 E CA 1.952 58.396 56.400 0.073 0.000 0.810 20 E CB -0.245 29.494 29.700 0.064 0.000 0.738 20 E HN 0.752 nan 8.360 nan 0.000 0.467 21 Y N 0.985 121.275 120.300 -0.017 0.000 2.184 21 Y HA -0.122 4.429 4.550 0.001 0.000 0.290 21 Y C 1.972 177.860 175.900 -0.019 0.000 1.129 21 Y CA 1.084 59.156 58.100 -0.047 0.000 1.144 21 Y CB -0.264 38.141 38.460 -0.092 0.000 0.995 21 Y HN -0.069 nan 8.280 nan 0.000 0.513 22 L N -0.445 120.768 121.223 -0.017 0.000 1.990 22 L HA -0.305 4.035 4.340 0.001 0.000 0.213 22 L C 2.480 179.432 176.870 0.136 0.000 1.072 22 L CA 1.721 56.541 54.840 -0.033 0.000 0.755 22 L CB -0.805 41.224 42.059 -0.051 0.000 0.889 22 L HN 0.280 nan 8.230 nan 0.000 0.432 23 L N -0.423 120.866 121.223 0.110 0.000 2.129 23 L HA -0.250 4.090 4.340 0.001 0.000 0.212 23 L C 2.766 179.612 176.870 -0.041 0.000 1.087 23 L CA 1.601 56.499 54.840 0.097 0.000 0.757 23 L CB -0.542 41.541 42.059 0.039 0.000 0.896 23 L HN 0.444 nan 8.230 nan 0.000 0.434 24 S N -2.284 113.352 115.700 -0.107 0.000 2.436 24 S HA -0.130 4.341 4.470 0.001 0.000 0.228 24 S C 1.891 176.349 174.600 -0.235 0.000 1.014 24 S CA 0.634 58.734 58.200 -0.167 0.000 0.950 24 S CB -0.665 62.441 63.200 -0.158 0.000 0.784 24 S HN 0.429 nan 8.310 nan 0.000 0.504 25 C N 1.573 120.717 119.300 -0.259 0.000 2.500 25 C HA 0.244 4.704 4.460 0.001 0.000 0.273 25 C C 1.429 176.263 174.990 -0.260 0.000 1.428 25 C CA -0.383 58.500 59.018 -0.226 0.000 1.766 25 C CB -1.573 26.049 27.740 -0.197 0.000 1.817 25 C HN 0.733 nan 8.230 nan 0.000 0.543 26 Q N 1.515 121.040 119.800 -0.458 0.000 2.364 26 Q HA 0.129 4.469 4.340 0.001 0.000 0.267 26 Q C -0.230 175.316 176.000 -0.757 0.000 0.999 26 Q CA 0.486 55.626 55.803 -1.104 0.000 0.886 26 Q CB 0.594 28.567 28.738 -1.275 0.000 1.243 26 Q HN 0.286 nan 8.270 nan 0.000 0.415 27 K N 2.266 122.126 120.400 -0.901 0.000 2.098 27 K HA 0.096 4.417 4.320 0.001 0.000 0.244 27 K C 0.175 176.404 176.600 -0.619 0.000 1.014 27 K CA -0.138 55.705 56.287 -0.740 0.000 0.917 27 K CB 0.602 32.453 32.500 -1.082 0.000 1.072 27 K HN 0.599 nan 8.250 nan 0.000 0.477 28 D N 0.864 121.016 120.400 -0.414 0.000 2.092 28 D HA -0.155 4.486 4.640 0.001 0.000 0.193 28 D C 1.065 177.215 176.300 -0.250 0.000 0.994 28 D CA 1.486 55.322 54.000 -0.274 0.000 0.828 28 D CB 0.020 40.719 40.800 -0.168 0.000 0.963 28 D HN 0.523 nan 8.370 nan 0.000 0.450 29 E N -0.665 119.402 120.200 -0.223 0.000 2.333 29 E HA 0.027 4.378 4.350 0.001 0.000 0.200 29 E C 1.558 178.076 176.600 -0.136 0.000 1.010 29 E CA 1.212 57.583 56.400 -0.048 0.000 0.841 29 E CB -0.274 29.559 29.700 0.222 0.000 0.757 29 E HN 0.409 nan 8.360 nan 0.000 0.508 30 G N -1.205 107.339 108.800 -0.428 0.000 2.184 30 G HA2 -0.243 3.717 3.960 0.001 0.000 0.206 30 G HA3 -0.243 3.717 3.960 0.001 0.000 0.206 30 G C -0.063 174.423 174.900 -0.690 0.000 0.995 30 G CA -0.054 44.770 45.100 -0.459 0.000 0.651 30 G HN 0.336 nan 8.290 nan 0.000 0.511 31 Y N -1.002 118.743 120.300 -0.925 0.000 2.519 31 Y HA 0.852 5.403 4.550 0.001 0.000 0.324 31 Y C 0.087 175.584 175.900 -0.671 0.000 1.214 31 Y CA -2.607 54.914 58.100 -0.966 0.000 1.260 31 Y CB 1.042 38.466 38.460 -1.727 0.000 1.311 31 Y HN 0.070 nan 8.280 nan 0.000 0.505 32 W N 1.535 122.738 121.300 -0.163 0.000 2.627 32 W HA 0.326 4.986 4.660 0.001 0.000 0.339 32 W C -1.724 174.907 176.519 0.187 0.000 1.058 32 W CA -0.898 56.406 57.345 -0.070 0.000 1.223 32 W CB 2.007 31.410 29.460 -0.095 0.000 1.389 32 W HN 0.779 nan 8.180 nan 0.000 0.541 33 W N 2.891 124.288 121.300 0.162 0.000 2.725 33 W HA 0.457 5.118 4.660 0.001 0.000 0.305 33 W C -0.901 175.636 176.519 0.030 0.000 1.045 33 W CA -1.317 56.078 57.345 0.083 0.000 1.202 33 W CB 0.412 29.967 29.460 0.158 0.000 1.083 33 W HN 0.371 nan 8.180 nan 0.000 0.343 34 G N 4.603 113.490 108.800 0.145 0.000 2.389 34 G HA2 0.652 4.613 3.960 0.001 0.000 0.317 34 G HA3 0.652 4.613 3.960 0.001 0.000 0.317 34 G C -2.785 171.986 174.900 -0.214 0.000 1.137 34 G CA -1.428 43.639 45.100 -0.055 0.000 0.870 34 G HN 0.124 nan 8.290 nan 0.000 0.496 35 P HA 0.178 nan 4.420 nan 0.000 0.269 35 P C -0.557 176.602 177.300 -0.236 0.000 1.209 35 P CA -0.448 62.455 63.100 -0.328 0.000 0.776 35 P CB 0.957 32.471 31.700 -0.310 0.000 0.876 36 L N 3.885 124.965 121.223 -0.237 0.000 2.287 36 L HA 0.356 4.697 4.340 0.001 0.000 0.287 36 L C -1.148 175.572 176.870 -0.251 0.000 1.022 36 L CA -0.359 54.302 54.840 -0.298 0.000 0.814 36 L CB 0.352 42.260 42.059 -0.251 0.000 1.217 36 L HN 0.106 nan 8.230 nan 0.000 0.420 37 L N 4.200 125.239 121.223 -0.306 0.000 2.334 37 L HA 0.677 5.018 4.340 0.001 0.000 0.275 37 L C 0.716 177.396 176.870 -0.317 0.000 1.036 37 L CA 0.116 54.828 54.840 -0.213 0.000 0.807 37 L CB 1.145 43.143 42.059 -0.101 0.000 1.231 37 L HN 0.921 nan 8.230 nan 0.000 0.438 38 S N 1.711 117.378 115.700 -0.055 0.000 3.865 38 S HA 0.564 5.035 4.470 0.001 0.000 0.182 38 S C -0.327 174.410 174.600 0.229 0.000 1.141 38 S CA -0.196 57.969 58.200 -0.058 0.000 1.257 38 S CB 1.217 64.369 63.200 -0.081 0.000 1.779 38 S HN 0.664 nan 8.310 nan 0.000 0.816 39 N N -0.425 118.411 118.700 0.227 0.000 2.825 39 N HA 0.414 5.155 4.740 0.001 0.000 0.253 39 N C 0.346 175.988 175.510 0.220 0.000 1.426 39 N CA -0.395 52.807 53.050 0.253 0.000 0.851 39 N CB 1.308 39.951 38.487 0.260 0.000 1.470 39 N HN 0.787 nan 8.380 nan 0.000 0.517 40 V N -2.958 117.041 119.914 0.141 0.000 3.330 40 V HA -0.131 3.990 4.120 0.001 0.000 0.273 40 V C 1.607 177.696 176.094 -0.009 0.000 1.179 40 V CA 1.816 64.159 62.300 0.070 0.000 1.174 40 V CB -2.053 29.640 31.823 -0.217 0.000 0.794 40 V HN 0.902 nan 8.190 nan 0.000 0.527 41 T N -2.935 111.617 114.554 -0.003 0.000 2.962 41 T HA -0.101 4.250 4.350 0.001 0.000 0.270 41 T C 1.764 176.364 174.700 -0.167 0.000 1.088 41 T CA 1.477 63.515 62.100 -0.102 0.000 1.127 41 T CB -0.350 68.476 68.868 -0.069 0.000 0.883 41 T HN 0.380 nan 8.240 nan 0.000 0.493 42 M N 1.457 121.019 119.600 -0.063 0.000 2.064 42 M HA 0.048 4.529 4.480 0.001 0.000 0.260 42 M C 2.275 178.537 176.300 -0.063 0.000 1.073 42 M CA 1.661 56.886 55.300 -0.126 0.000 1.124 42 M CB -1.167 31.457 32.600 0.040 0.000 1.326 42 M HN 0.255 nan 8.290 nan 0.000 0.410 43 E N 0.959 121.205 120.200 0.077 0.000 2.106 43 E HA -0.043 4.308 4.350 0.001 0.000 0.192 43 E C 2.137 178.818 176.600 0.134 0.000 0.984 43 E CA 1.526 58.039 56.400 0.189 0.000 0.806 43 E CB -0.582 29.293 29.700 0.292 0.000 0.750 43 E HN 0.509 nan 8.360 nan 0.000 0.458 44 A N 0.966 123.778 122.820 -0.013 0.000 1.877 44 A HA -0.254 4.067 4.320 0.001 0.000 0.216 44 A C 2.028 179.462 177.584 -0.249 0.000 1.186 44 A CA 1.789 53.752 52.037 -0.124 0.000 0.620 44 A CB -0.519 18.357 19.000 -0.208 0.000 0.822 44 A HN 0.214 nan 8.150 nan 0.000 0.443 45 E N -1.866 118.087 120.200 -0.413 0.000 2.106 45 E HA -0.169 4.182 4.350 0.001 0.000 0.192 45 E C 1.791 178.200 176.600 -0.318 0.000 0.984 45 E CA 1.197 57.118 56.400 -0.798 0.000 0.806 45 E CB -0.292 28.757 29.700 -1.085 0.000 0.750 45 E HN 0.777 nan 8.360 nan 0.000 0.458 46 Y N 0.860 121.112 120.300 -0.081 0.000 2.165 46 Y HA -0.285 4.266 4.550 0.001 0.000 0.286 46 Y C 2.025 177.879 175.900 -0.076 0.000 1.155 46 Y CA 1.322 59.436 58.100 0.023 0.000 1.164 46 Y CB -0.227 38.269 38.460 0.059 0.000 0.978 46 Y HN -0.160 nan 8.280 nan 0.000 0.513 47 V N 0.574 120.524 119.914 0.060 0.000 2.295 47 V HA -0.339 3.782 4.120 0.001 0.000 0.246 47 V C 2.447 178.413 176.094 -0.212 0.000 1.049 47 V CA 2.135 64.418 62.300 -0.029 0.000 1.024 47 V CB -0.762 31.079 31.823 0.030 0.000 0.648 47 V HN 0.467 nan 8.190 nan 0.000 0.447 48 L N -0.824 120.258 121.223 -0.234 0.000 2.093 48 L HA -0.144 4.196 4.340 0.001 0.000 0.208 48 L C 2.432 179.312 176.870 0.016 0.000 1.085 48 L CA 1.003 55.751 54.840 -0.155 0.000 0.755 48 L CB -0.536 41.461 42.059 -0.103 0.000 0.904 48 L HN 0.361 nan 8.230 nan 0.000 0.435 49 L N -0.319 120.882 121.223 -0.035 0.000 2.017 49 L HA -0.224 4.117 4.340 0.001 0.000 0.208 49 L C 2.546 179.299 176.870 -0.195 0.000 1.073 49 L CA 1.851 56.671 54.840 -0.034 0.000 0.745 49 L CB -0.777 41.122 42.059 -0.266 0.000 0.894 49 L HN 0.211 nan 8.230 nan 0.000 0.432 50 C N -0.454 118.667 119.300 -0.298 0.000 2.413 50 C HA -0.195 4.266 4.460 0.001 0.000 0.276 50 C C 2.726 177.624 174.990 -0.154 0.000 1.248 50 C CA 1.072 59.953 59.018 -0.229 0.000 1.742 50 C CB -1.472 26.136 27.740 -0.219 0.000 2.017 50 C HN 0.835 nan 8.230 nan 0.000 0.481 51 H N 0.752 119.687 119.070 -0.225 0.000 2.352 51 H HA -0.080 4.476 4.556 0.001 0.000 0.299 51 H C 1.887 177.115 175.328 -0.168 0.000 1.097 51 H CA 1.941 57.879 56.048 -0.184 0.000 1.311 51 H CB -0.375 29.143 29.762 -0.406 0.000 1.377 51 H HN 0.465 nan 8.280 nan 0.000 0.504 52 I N 0.088 120.409 120.570 -0.416 0.000 2.226 52 I HA -0.225 3.945 4.170 0.001 0.000 0.245 52 I C 1.778 177.496 176.117 -0.665 0.000 1.100 52 I CA 1.091 61.979 61.300 -0.686 0.000 1.374 52 I CB -0.140 37.553 38.000 -0.512 0.000 1.057 52 I HN 0.270 nan 8.210 nan 0.000 0.413 53 L N 0.191 121.160 121.223 -0.424 0.000 2.599 53 L HA -0.020 4.321 4.340 0.001 0.000 0.230 53 L C 0.417 177.082 176.870 -0.342 0.000 1.141 53 L CA 0.146 54.771 54.840 -0.359 0.000 0.877 53 L CB -0.546 41.317 42.059 -0.327 0.000 1.009 53 L HN 0.306 nan 8.230 nan 0.000 0.447 54 D N 2.005 122.218 120.400 -0.311 0.000 2.723 54 D HA -0.217 4.424 4.640 0.001 0.000 0.236 54 D C 0.181 176.369 176.300 -0.186 0.000 1.138 54 D CA 0.748 54.623 54.000 -0.209 0.000 0.676 54 D CB -0.412 40.279 40.800 -0.181 0.000 1.069 54 D HN 0.407 nan 8.370 nan 0.000 0.430 55 R N -0.207 120.173 120.500 -0.200 0.000 2.681 55 R HA 0.336 4.676 4.340 0.001 0.000 0.277 55 R C -0.574 175.711 176.300 -0.024 0.000 1.563 55 R CA -0.584 55.412 56.100 -0.173 0.000 1.673 55 R CB 1.371 31.401 30.300 -0.449 0.000 1.258 55 R HN -0.096 nan 8.270 nan 0.000 0.650 56 V N 1.203 121.132 119.914 0.026 0.000 2.383 56 V HA 0.133 4.253 4.120 0.001 0.000 0.275 56 V C -0.022 176.118 176.094 0.076 0.000 1.036 56 V CA -0.625 61.725 62.300 0.084 0.000 0.889 56 V CB 1.604 33.518 31.823 0.151 0.000 0.985 56 V HN 0.348 nan 8.190 nan 0.000 0.459 57 D N 4.503 124.950 120.400 0.078 0.000 2.443 57 D HA 0.257 4.897 4.640 0.001 0.000 0.221 57 D C 1.303 177.625 176.300 0.036 0.000 1.097 57 D CA -0.514 53.516 54.000 0.051 0.000 0.865 57 D CB 0.846 41.669 40.800 0.038 0.000 1.034 57 D HN 0.214 nan 8.370 nan 0.000 0.511 58 R N 2.503 123.024 120.500 0.034 0.000 2.154 58 R HA -0.168 4.172 4.340 0.001 0.000 0.248 58 R C 1.246 177.557 176.300 0.019 0.000 1.155 58 R CA 1.006 57.122 56.100 0.028 0.000 0.979 58 R CB -0.317 29.995 30.300 0.019 0.000 0.869 58 R HN 0.657 nan 8.270 nan 0.000 0.452 59 D N 0.089 120.494 120.400 0.007 0.000 2.117 59 D HA -0.161 4.479 4.640 0.001 0.000 0.198 59 D C 1.864 178.148 176.300 -0.027 0.000 0.982 59 D CA 0.837 54.836 54.000 -0.003 0.000 0.828 59 D CB 0.189 40.985 40.800 -0.008 0.000 0.967 59 D HN -0.008 nan 8.370 nan 0.000 0.464 60 R N 0.062 120.522 120.500 -0.068 0.000 2.075 60 R HA -0.046 4.295 4.340 0.001 0.000 0.232 60 R C 2.413 178.667 176.300 -0.075 0.000 1.126 60 R CA 1.051 57.048 56.100 -0.172 0.000 0.963 60 R CB -0.541 29.595 30.300 -0.274 0.000 0.858 60 R HN 0.143 nan 8.270 nan 0.000 0.435 61 M N 0.793 120.398 119.600 0.009 0.000 2.106 61 M HA -0.171 4.310 4.480 0.001 0.000 0.259 61 M C 1.831 178.183 176.300 0.086 0.000 1.068 61 M CA 1.628 56.973 55.300 0.076 0.000 1.100 61 M CB -0.977 31.678 32.600 0.092 0.000 1.351 61 M HN 0.129 nan 8.290 nan 0.000 0.404 62 E N 0.803 121.041 120.200 0.063 0.000 2.038 62 E HA -0.160 4.190 4.350 0.001 0.000 0.195 62 E C 1.995 178.665 176.600 0.116 0.000 1.000 62 E CA 1.292 57.739 56.400 0.079 0.000 0.803 62 E CB -0.334 29.400 29.700 0.057 0.000 0.750 62 E HN 0.532 nan 8.360 nan 0.000 0.448 63 K N 0.187 120.647 120.400 0.100 0.000 2.209 63 K HA -0.066 4.254 4.320 0.001 0.000 0.204 63 K C 2.281 179.030 176.600 0.248 0.000 1.048 63 K CA 0.769 57.148 56.287 0.154 0.000 0.940 63 K CB -0.085 32.487 32.500 0.120 0.000 0.729 63 K HN 0.161 nan 8.250 nan 0.000 0.451 64 I N 0.430 121.136 120.570 0.228 0.000 2.333 64 I HA -0.210 3.960 4.170 0.001 0.000 0.246 64 I C 2.685 178.997 176.117 0.325 0.000 1.106 64 I CA 0.761 62.254 61.300 0.322 0.000 1.411 64 I CB -0.158 37.999 38.000 0.262 0.000 1.082 64 I HN 0.143 nan 8.210 nan 0.000 0.420 65 R N 1.185 121.823 120.500 0.230 0.000 2.091 65 R HA -0.170 4.171 4.340 0.001 0.000 0.238 65 R C 2.472 178.912 176.300 0.234 0.000 1.136 65 R CA 1.451 57.671 56.100 0.199 0.000 0.959 65 R CB -0.104 30.280 30.300 0.141 0.000 0.856 65 R HN 0.248 nan 8.270 nan 0.000 0.437 66 R N -0.706 119.947 120.500 0.256 0.000 2.083 66 R HA -0.220 4.121 4.340 0.001 0.000 0.237 66 R C 2.297 178.834 176.300 0.394 0.000 1.137 66 R CA 1.981 58.255 56.100 0.290 0.000 0.951 66 R CB -0.700 29.788 30.300 0.314 0.000 0.851 66 R HN 0.345 nan 8.270 nan 0.000 0.434 67 Y N 1.754 122.265 120.300 0.352 0.000 2.114 67 Y HA -0.220 4.331 4.550 0.001 0.000 0.284 67 Y C 2.068 178.179 175.900 0.351 0.000 1.143 67 Y CA 1.489 59.827 58.100 0.397 0.000 1.135 67 Y CB -0.608 38.027 38.460 0.292 0.000 0.980 67 Y HN -0.056 nan 8.280 nan 0.000 0.499 68 L N -0.712 120.615 121.223 0.173 0.000 1.990 68 L HA -0.299 4.041 4.340 0.001 0.000 0.213 68 L C 2.485 179.547 176.870 0.320 0.000 1.072 68 L CA 1.209 56.115 54.840 0.110 0.000 0.755 68 L CB -0.873 41.276 42.059 0.149 0.000 0.889 68 L HN 0.304 nan 8.230 nan 0.000 0.432 69 L N -0.461 120.920 121.223 0.264 0.000 1.989 69 L HA -0.283 4.057 4.340 0.001 0.000 0.211 69 L C 2.566 179.468 176.870 0.054 0.000 1.071 69 L CA 2.093 57.043 54.840 0.182 0.000 0.749 69 L CB -1.470 40.663 42.059 0.123 0.000 0.890 69 L HN 0.370 nan 8.230 nan 0.000 0.431 70 H N -0.328 118.709 119.070 -0.055 0.000 2.394 70 H HA -0.171 4.385 4.556 0.001 0.000 0.297 70 H C 1.840 177.063 175.328 -0.174 0.000 1.113 70 H CA 1.881 57.810 56.048 -0.198 0.000 1.277 70 H CB 0.378 29.900 29.762 -0.400 0.000 1.370 70 H HN 0.288 nan 8.280 nan 0.000 0.506 71 E N 0.435 120.631 120.200 -0.007 0.000 2.371 71 E HA -0.063 4.288 4.350 0.001 0.000 0.194 71 E C 0.525 177.024 176.600 -0.168 0.000 1.012 71 E CA 0.117 56.508 56.400 -0.016 0.000 0.860 71 E CB -0.032 29.673 29.700 0.008 0.000 0.811 71 E HN 0.658 nan 8.360 nan 0.000 0.502 72 Q N 1.267 120.853 119.800 -0.358 0.000 2.392 72 Q HA 0.086 4.426 4.340 0.001 0.000 0.262 72 Q C -0.444 175.177 176.000 -0.631 0.000 1.003 72 Q CA 0.064 55.247 55.803 -1.034 0.000 0.888 72 Q CB 0.616 28.756 28.738 -0.996 0.000 1.260 72 Q HN -0.147 nan 8.270 nan 0.000 0.435 73 R N 1.590 121.714 120.500 -0.628 0.000 2.607 73 R HA 0.150 4.491 4.340 0.001 0.000 0.261 73 R C 1.116 177.212 176.300 -0.340 0.000 1.051 73 R CA -0.576 55.282 56.100 -0.403 0.000 1.110 73 R CB 0.381 30.477 30.300 -0.340 0.000 1.158 73 R HN 0.687 nan 8.270 nan 0.000 0.543 74 E N 1.149 121.199 120.200 -0.250 0.000 2.108 74 E HA -0.278 4.072 4.350 0.001 0.000 0.203 74 E C 0.936 177.422 176.600 -0.191 0.000 1.022 74 E CA 2.426 58.709 56.400 -0.194 0.000 0.823 74 E CB -0.107 29.504 29.700 -0.150 0.000 0.744 74 E HN 0.670 nan 8.360 nan 0.000 0.456 75 D N -1.391 118.883 120.400 -0.212 0.000 2.350 75 D HA -0.009 4.631 4.640 0.001 0.000 0.216 75 D C 1.261 177.430 176.300 -0.218 0.000 0.968 75 D CA 0.983 54.866 54.000 -0.194 0.000 0.894 75 D CB -0.147 40.524 40.800 -0.216 0.000 0.909 75 D HN 0.279 nan 8.370 nan 0.000 0.520 76 G N -0.348 108.268 108.800 -0.307 0.000 2.131 76 G HA2 -0.228 3.732 3.960 0.001 0.000 0.223 76 G HA3 -0.228 3.732 3.960 0.001 0.000 0.223 76 G C 0.399 175.013 174.900 -0.478 0.000 0.990 76 G CA 0.492 45.380 45.100 -0.353 0.000 0.671 76 G HN 0.818 nan 8.290 nan 0.000 0.521 77 T N -3.102 111.133 114.554 -0.531 0.000 2.919 77 T HA 0.765 5.116 4.350 0.001 0.000 0.282 77 T C -0.382 174.010 174.700 -0.513 0.000 1.020 77 T CA -0.915 60.926 62.100 -0.431 0.000 0.994 77 T CB 2.264 70.800 68.868 -0.554 0.000 1.180 77 T HN 0.512 nan 8.240 nan 0.000 0.566 78 W N -0.014 121.211 121.300 -0.126 0.000 2.883 78 W HA 0.668 5.328 4.660 0.001 0.000 0.335 78 W C -0.151 176.309 176.519 -0.098 0.000 1.083 78 W CA -1.137 56.152 57.345 -0.093 0.000 1.233 78 W CB 2.342 31.786 29.460 -0.027 0.000 1.412 78 W HN 1.095 nan 8.180 nan 0.000 0.490 79 A N 1.989 124.855 122.820 0.077 0.000 2.373 79 A HA 0.699 5.020 4.320 0.001 0.000 0.291 79 A C 0.531 178.130 177.584 0.025 0.000 1.171 79 A CA -0.498 51.512 52.037 -0.046 0.000 0.922 79 A CB 1.086 19.921 19.000 -0.274 0.000 1.400 79 A HN 0.687 nan 8.150 nan 0.000 0.474 80 L N -1.304 119.913 121.223 -0.011 0.000 2.127 80 L HA 0.110 4.450 4.340 0.001 0.000 0.203 80 L C 0.378 177.389 176.870 0.235 0.000 1.080 80 L CA 0.865 55.843 54.840 0.229 0.000 0.768 80 L CB -0.551 41.792 42.059 0.472 0.000 0.924 80 L HN 0.786 nan 8.230 nan 0.000 0.444 81 Y N -1.634 118.646 120.300 -0.034 0.000 2.587 81 Y HA 0.637 5.188 4.550 0.001 0.000 0.337 81 Y C -2.666 173.007 175.900 -0.378 0.000 1.065 81 Y CA -4.124 53.755 58.100 -0.369 0.000 1.126 81 Y CB -0.813 37.456 38.460 -0.318 0.000 1.279 81 Y HN -0.219 nan 8.280 nan 0.000 0.489 82 P HA 0.199 nan 4.420 nan 0.000 0.271 82 P C 0.455 177.724 177.300 -0.050 0.000 1.226 82 P CA 0.964 63.921 63.100 -0.237 0.000 0.765 82 P CB 1.023 32.563 31.700 -0.267 0.000 0.835 83 G N 2.000 110.738 108.800 -0.104 0.000 2.171 83 G HA2 -0.080 3.880 3.960 0.001 0.000 0.238 83 G HA3 -0.080 3.880 3.960 0.001 0.000 0.238 83 G C 0.309 175.133 174.900 -0.127 0.000 1.039 83 G CA -0.291 44.788 45.100 -0.035 0.000 0.759 83 G HN 0.901 nan 8.290 nan 0.000 0.501 84 G N -0.363 108.197 108.800 -0.401 0.000 2.489 84 G HA2 0.852 4.813 3.960 0.001 0.000 0.327 84 G HA3 0.852 4.813 3.960 0.001 0.000 0.327 84 G C -1.959 172.687 174.900 -0.424 0.000 1.189 84 G CA -0.998 43.666 45.100 -0.727 0.000 0.962 84 G HN 0.237 nan 8.290 nan 0.000 0.486 85 P HA 0.147 nan 4.420 nan 0.000 0.266 85 P C -2.490 174.707 177.300 -0.171 0.000 1.195 85 P CA -0.756 62.249 63.100 -0.159 0.000 0.768 85 P CB 0.464 32.135 31.700 -0.048 0.000 0.838 86 P HA -0.007 nan 4.420 nan 0.000 0.264 86 P C -0.368 176.920 177.300 -0.019 0.000 1.193 86 P CA 0.527 63.441 63.100 -0.310 0.000 0.763 86 P CB 0.678 31.855 31.700 -0.872 0.000 0.810 87 D N 3.004 123.463 120.400 0.097 0.000 2.193 87 D HA 0.070 4.711 4.640 0.001 0.000 0.244 87 D C 0.968 177.506 176.300 0.396 0.000 1.064 87 D CA -0.608 53.538 54.000 0.242 0.000 0.845 87 D CB 1.573 42.494 40.800 0.203 0.000 1.148 87 D HN 0.066 nan 8.370 nan 0.000 0.464 88 L N 4.875 126.328 121.223 0.382 0.000 1.961 88 L HA -0.133 4.207 4.340 0.001 0.000 0.210 88 L C 1.594 178.594 176.870 0.217 0.000 1.072 88 L CA 1.855 56.870 54.840 0.292 0.000 0.749 88 L CB -0.555 41.556 42.059 0.085 0.000 0.889 88 L HN 0.466 nan 8.230 nan 0.000 0.432 89 D N -0.832 119.679 120.400 0.187 0.000 2.127 89 D HA -0.232 4.408 4.640 0.001 0.000 0.190 89 D C 1.931 178.320 176.300 0.148 0.000 1.000 89 D CA 2.366 56.465 54.000 0.165 0.000 0.839 89 D CB -0.640 40.298 40.800 0.231 0.000 0.955 89 D HN 0.416 nan 8.370 nan 0.000 0.446 90 T N 0.886 115.551 114.554 0.185 0.000 2.665 90 T HA -0.150 4.200 4.350 0.001 0.000 0.268 90 T C 2.106 176.844 174.700 0.063 0.000 1.035 90 T CA 2.116 64.291 62.100 0.124 0.000 1.151 90 T CB -0.653 68.328 68.868 0.189 0.000 0.862 90 T HN 0.201 nan 8.240 nan 0.000 0.438 91 T N 2.009 116.703 114.554 0.232 0.000 2.777 91 T HA 0.080 4.431 4.350 0.001 0.000 0.266 91 T C 2.020 176.841 174.700 0.201 0.000 1.040 91 T CA 0.785 63.098 62.100 0.354 0.000 1.141 91 T CB -0.392 68.824 68.868 0.580 0.000 0.868 91 T HN 0.336 nan 8.240 nan 0.000 0.444 92 I N 1.097 121.757 120.570 0.151 0.000 2.127 92 I HA -0.194 3.977 4.170 0.001 0.000 0.241 92 I C 2.698 178.865 176.117 0.083 0.000 1.075 92 I CA 1.548 62.911 61.300 0.105 0.000 1.334 92 I CB -0.428 37.599 38.000 0.045 0.000 1.040 92 I HN 0.305 nan 8.210 nan 0.000 0.405 93 E N 0.847 121.045 120.200 -0.004 0.000 2.085 93 E HA -0.231 4.120 4.350 0.001 0.000 0.194 93 E C 2.316 178.822 176.600 -0.157 0.000 0.994 93 E CA 1.359 57.709 56.400 -0.083 0.000 0.801 93 E CB -0.197 29.422 29.700 -0.136 0.000 0.743 93 E HN 0.526 nan 8.360 nan 0.000 0.453 94 A N 0.602 123.242 122.820 -0.301 0.000 1.933 94 A HA -0.218 4.103 4.320 0.001 0.000 0.218 94 A C 2.012 179.415 177.584 -0.302 0.000 1.175 94 A CA 1.358 53.050 52.037 -0.575 0.000 0.628 94 A CB -0.741 17.301 19.000 -1.597 0.000 0.814 94 A HN 0.412 nan 8.150 nan 0.000 0.444 95 Y N 0.753 120.937 120.300 -0.193 0.000 2.145 95 Y HA -0.199 4.351 4.550 0.001 0.000 0.286 95 Y C 2.340 178.249 175.900 0.015 0.000 1.145 95 Y CA 2.119 60.228 58.100 0.015 0.000 1.148 95 Y CB -0.329 38.188 38.460 0.096 0.000 0.981 95 Y HN 0.070 nan 8.280 nan 0.000 0.507 96 V N 0.528 120.484 119.914 0.071 0.000 2.343 96 V HA -0.314 3.806 4.120 0.001 0.000 0.247 96 V C 2.672 178.742 176.094 -0.040 0.000 1.051 96 V CA 1.645 63.950 62.300 0.009 0.000 1.036 96 V CB -1.708 30.152 31.823 0.062 0.000 0.654 96 V HN 0.569 nan 8.190 nan 0.000 0.451 97 A N 0.197 122.980 122.820 -0.061 0.000 1.851 97 A HA -0.196 4.125 4.320 0.001 0.000 0.216 97 A C 2.239 179.836 177.584 0.022 0.000 1.195 97 A CA 2.084 54.103 52.037 -0.029 0.000 0.622 97 A CB -0.676 18.282 19.000 -0.070 0.000 0.831 97 A HN 0.482 nan 8.150 nan 0.000 0.444 98 L N -0.763 120.437 121.223 -0.039 0.000 2.042 98 L HA -0.232 4.109 4.340 0.001 0.000 0.210 98 L C 2.671 179.506 176.870 -0.059 0.000 1.076 98 L CA 2.061 56.889 54.840 -0.019 0.000 0.749 98 L CB -0.425 41.629 42.059 -0.007 0.000 0.893 98 L HN 0.470 nan 8.230 nan 0.000 0.432 99 K N -0.746 119.554 120.400 -0.166 0.000 2.097 99 K HA -0.259 4.062 4.320 0.001 0.000 0.206 99 K C 2.252 178.819 176.600 -0.054 0.000 1.049 99 K CA 1.516 57.705 56.287 -0.163 0.000 0.933 99 K CB -0.225 32.112 32.500 -0.271 0.000 0.717 99 K HN 0.172 nan 8.250 nan 0.000 0.442 100 Y N 1.347 121.585 120.300 -0.103 0.000 2.114 100 Y HA -0.162 4.389 4.550 0.001 0.000 0.284 100 Y C 1.705 177.579 175.900 -0.045 0.000 1.143 100 Y CA 1.706 59.759 58.100 -0.078 0.000 1.135 100 Y CB -0.154 38.253 38.460 -0.089 0.000 0.980 100 Y HN -0.008 nan 8.280 nan 0.000 0.499 101 I N -0.108 120.495 120.570 0.055 0.000 2.399 101 I HA -0.231 3.940 4.170 0.001 0.000 0.254 101 I C 1.402 177.469 176.117 -0.084 0.000 1.146 101 I CA 1.717 63.022 61.300 0.008 0.000 1.412 101 I CB -0.822 37.231 38.000 0.089 0.000 1.076 101 I HN 0.582 nan 8.210 nan 0.000 0.432 102 G N 0.845 109.590 108.800 -0.093 0.000 2.245 102 G HA2 -0.106 3.855 3.960 0.001 0.000 0.116 102 G HA3 -0.106 3.855 3.960 0.001 0.000 0.116 102 G C -0.185 174.689 174.900 -0.043 0.000 1.054 102 G CA -0.678 44.372 45.100 -0.083 0.000 0.728 102 G HN 0.114 nan 8.290 nan 0.000 0.483 103 M N 1.553 121.127 119.600 -0.044 0.000 2.294 103 M HA 0.510 4.991 4.480 0.001 0.000 0.335 103 M C 0.778 177.058 176.300 -0.032 0.000 1.079 103 M CA -0.616 54.669 55.300 -0.026 0.000 0.982 103 M CB 1.828 34.420 32.600 -0.012 0.000 1.651 103 M HN 0.227 nan 8.290 nan 0.000 0.437 104 S N 2.020 117.716 115.700 -0.006 0.000 2.552 104 S HA 0.047 4.517 4.470 0.001 0.000 0.289 104 S C 1.178 175.793 174.600 0.025 0.000 1.304 104 S CA -0.168 58.038 58.200 0.009 0.000 1.063 104 S CB 0.438 63.649 63.200 0.019 0.000 0.848 104 S HN 0.791 nan 8.310 nan 0.000 0.499 105 R N 2.938 123.466 120.500 0.046 0.000 2.357 105 R HA 0.042 4.383 4.340 0.001 0.000 0.202 105 R C 0.263 176.636 176.300 0.122 0.000 1.047 105 R CA 1.130 57.297 56.100 0.111 0.000 1.034 105 R CB -0.167 30.226 30.300 0.155 0.000 0.875 105 R HN 0.517 nan 8.270 nan 0.000 0.473 106 D N 1.371 121.819 120.400 0.080 0.000 2.338 106 D HA -0.031 4.610 4.640 0.001 0.000 0.224 106 D C -0.073 176.266 176.300 0.065 0.000 0.967 106 D CA 0.241 54.282 54.000 0.070 0.000 0.896 106 D CB -0.053 40.776 40.800 0.050 0.000 1.028 106 D HN 0.345 nan 8.370 nan 0.000 0.493 107 E N 1.887 122.120 120.200 0.056 0.000 2.760 107 E HA -0.149 4.202 4.350 0.001 0.000 0.268 107 E C 0.842 177.475 176.600 0.055 0.000 0.935 107 E CA 0.149 56.577 56.400 0.048 0.000 0.960 107 E CB 0.869 30.594 29.700 0.043 0.000 0.931 107 E HN 0.087 nan 8.360 nan 0.000 0.483 108 E N 4.025 124.246 120.200 0.035 0.000 2.119 108 E HA -0.252 4.099 4.350 0.001 0.000 0.221 108 E C -0.960 175.659 176.600 0.031 0.000 1.062 108 E CA 2.646 59.060 56.400 0.024 0.000 0.894 108 E CB -0.911 28.790 29.700 0.002 0.000 0.785 108 E HN 0.435 nan 8.360 nan 0.000 0.472 109 P HA -0.198 nan 4.420 nan 0.000 0.214 109 P C 1.456 178.832 177.300 0.125 0.000 1.163 109 P CA 2.025 65.147 63.100 0.037 0.000 0.889 109 P CB -0.098 31.633 31.700 0.052 0.000 0.790 110 M N -1.134 118.572 119.600 0.177 0.000 2.080 110 M HA -0.180 4.301 4.480 0.001 0.000 0.260 110 M C 2.104 178.586 176.300 0.304 0.000 1.068 110 M CA 1.804 57.294 55.300 0.317 0.000 1.109 110 M CB -1.909 30.833 32.600 0.235 0.000 1.342 110 M HN 0.032 nan 8.290 nan 0.000 0.405 111 Q N 0.737 120.641 119.800 0.175 0.000 2.030 111 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 111 Q C 2.108 178.163 176.000 0.092 0.000 0.986 111 Q CA 1.534 57.409 55.803 0.120 0.000 0.843 111 Q CB -0.447 28.338 28.738 0.078 0.000 0.904 111 Q HN 0.567 nan 8.270 nan 0.000 0.420 112 K N 0.187 120.628 120.400 0.068 0.000 2.063 112 K HA -0.121 4.200 4.320 0.001 0.000 0.208 112 K C 2.103 178.747 176.600 0.073 0.000 1.048 112 K CA 1.265 57.576 56.287 0.039 0.000 0.928 112 K CB -0.196 32.293 32.500 -0.018 0.000 0.713 112 K HN 0.150 nan 8.250 nan 0.000 0.442 113 A N 1.776 124.664 122.820 0.114 0.000 1.877 113 A HA -0.143 4.178 4.320 0.001 0.000 0.216 113 A C 2.146 179.810 177.584 0.133 0.000 1.186 113 A CA 1.062 53.216 52.037 0.196 0.000 0.620 113 A CB -0.697 18.531 19.000 0.380 0.000 0.822 113 A HN 0.249 nan 8.150 nan 0.000 0.443 114 L N -0.972 120.260 121.223 0.014 0.000 2.042 114 L HA -0.233 4.107 4.340 0.001 0.000 0.210 114 L C 2.840 179.672 176.870 -0.064 0.000 1.076 114 L CA 1.864 56.598 54.840 -0.177 0.000 0.749 114 L CB -0.328 41.660 42.059 -0.118 0.000 0.893 114 L HN 0.453 nan 8.230 nan 0.000 0.432 115 R N -1.059 119.453 120.500 0.021 0.000 2.081 115 R HA -0.248 4.093 4.340 0.001 0.000 0.235 115 R C 2.287 178.617 176.300 0.050 0.000 1.131 115 R CA 2.027 58.145 56.100 0.030 0.000 0.960 115 R CB -0.420 29.910 30.300 0.051 0.000 0.856 115 R HN 0.333 nan 8.270 nan 0.000 0.436 116 F N 1.345 121.278 119.950 -0.030 0.000 2.134 116 F HA -0.202 4.326 4.527 0.001 0.000 0.299 116 F C 1.855 177.641 175.800 -0.023 0.000 1.097 116 F CA 1.198 59.187 58.000 -0.018 0.000 1.264 116 F CB -0.144 38.853 39.000 -0.006 0.000 1.001 116 F HN -0.056 nan 8.300 nan 0.000 0.479 117 I N 0.564 121.019 120.570 -0.192 0.000 2.226 117 I HA -0.295 3.876 4.170 0.001 0.000 0.245 117 I C 2.263 178.210 176.117 -0.283 0.000 1.100 117 I CA 1.451 62.574 61.300 -0.295 0.000 1.374 117 I CB -1.620 36.252 38.000 -0.214 0.000 1.057 117 I HN 0.360 nan 8.210 nan 0.000 0.413 118 Q N 0.612 120.296 119.800 -0.193 0.000 2.083 118 Q HA -0.122 4.219 4.340 0.001 0.000 0.198 118 Q C 2.146 178.064 176.000 -0.136 0.000 0.969 118 Q CA 1.804 57.527 55.803 -0.133 0.000 0.838 118 Q CB -0.307 28.384 28.738 -0.077 0.000 0.900 118 Q HN 0.594 nan 8.270 nan 0.000 0.436 119 S N 0.307 115.917 115.700 -0.149 0.000 2.584 119 S HA -0.087 4.383 4.470 0.001 0.000 0.240 119 S C 1.402 175.898 174.600 -0.173 0.000 0.975 119 S CA 0.670 58.799 58.200 -0.119 0.000 0.949 119 S CB 0.091 63.255 63.200 -0.060 0.000 0.761 119 S HN 0.222 nan 8.310 nan 0.000 0.536 120 Q N -0.183 119.464 119.800 -0.255 0.000 2.189 120 Q HA 0.312 4.653 4.340 0.001 0.000 0.223 120 Q C 1.263 177.180 176.000 -0.137 0.000 0.828 120 Q CA 0.654 56.313 55.803 -0.241 0.000 0.967 120 Q CB 0.865 29.348 28.738 -0.425 0.000 1.139 120 Q HN 0.745 nan 8.270 nan 0.000 0.497 121 G N 0.329 109.063 108.800 -0.109 0.000 2.148 121 G HA2 -0.119 3.841 3.960 0.001 0.000 0.203 121 G HA3 -0.119 3.841 3.960 0.001 0.000 0.203 121 G C 0.657 175.522 174.900 -0.058 0.000 0.993 121 G CA 0.181 45.248 45.100 -0.055 0.000 0.661 121 G HN 0.679 nan 8.290 nan 0.000 0.518 122 G N -0.236 108.499 108.800 -0.109 0.000 2.598 122 G HA2 -0.066 3.895 3.960 0.001 0.000 0.269 122 G HA3 -0.066 3.895 3.960 0.001 0.000 0.269 122 G C 1.160 175.987 174.900 -0.122 0.000 1.289 122 G CA 0.761 45.784 45.100 -0.129 0.000 0.926 122 G HN 1.531 nan 8.290 nan 0.000 0.567 123 I N 0.783 121.241 120.570 -0.186 0.000 2.181 123 I HA -0.187 3.983 4.170 0.001 0.000 0.247 123 I C 2.449 178.538 176.117 -0.047 0.000 1.081 123 I CA 2.973 64.169 61.300 -0.174 0.000 1.340 123 I CB -0.328 37.451 38.000 -0.368 0.000 1.036 123 I HN 0.560 nan 8.210 nan 0.000 0.417 124 E N 0.042 120.260 120.200 0.029 0.000 2.463 124 E HA -0.077 4.273 4.350 0.001 0.000 0.201 124 E C 1.942 178.576 176.600 0.055 0.000 1.045 124 E CA 0.952 57.419 56.400 0.112 0.000 0.872 124 E CB -0.254 29.529 29.700 0.139 0.000 0.797 124 E HN 0.525 nan 8.360 nan 0.000 0.538 125 S N 0.273 115.978 115.700 0.008 0.000 2.540 125 S HA 0.040 4.510 4.470 0.001 0.000 0.218 125 S C 0.684 175.289 174.600 0.008 0.000 0.977 125 S CA -0.248 57.955 58.200 0.005 0.000 0.918 125 S CB 0.388 63.576 63.200 -0.021 0.000 0.806 125 S HN 0.205 nan 8.310 nan 0.000 0.496 126 S N 2.551 118.249 115.700 -0.003 0.000 2.610 126 S HA 0.470 4.940 4.470 0.001 0.000 0.273 126 S C 0.302 174.911 174.600 0.014 0.000 1.274 126 S CA -1.091 57.117 58.200 0.012 0.000 1.023 126 S CB 0.713 63.907 63.200 -0.011 0.000 0.962 126 S HN 0.545 nan 8.310 nan 0.000 0.523 127 R N 0.739 121.282 120.500 0.072 0.000 2.873 127 R HA 0.117 4.457 4.340 0.001 0.000 0.267 127 R C 0.694 176.972 176.300 -0.035 0.000 1.009 127 R CA -0.456 55.690 56.100 0.076 0.000 1.152 127 R CB -0.314 30.148 30.300 0.270 0.000 1.047 127 R HN 0.409 nan 8.270 nan 0.000 0.470 128 V N 0.730 120.545 119.914 -0.164 0.000 2.287 128 V HA -0.271 3.850 4.120 0.001 0.000 0.248 128 V C 2.172 178.123 176.094 -0.238 0.000 1.053 128 V CA 1.913 64.034 62.300 -0.299 0.000 1.027 128 V CB -0.896 30.565 31.823 -0.604 0.000 0.646 128 V HN 0.672 nan 8.190 nan 0.000 0.447 129 F N 1.063 120.920 119.950 -0.156 0.000 2.091 129 F HA -0.224 4.303 4.527 0.001 0.000 0.299 129 F C 2.669 178.525 175.800 0.094 0.000 1.103 129 F CA 2.106 60.086 58.000 -0.032 0.000 1.228 129 F CB -1.629 37.364 39.000 -0.012 0.000 0.984 129 F HN 0.116 nan 8.300 nan 0.000 0.477 130 T N -0.278 114.421 114.554 0.242 0.000 2.759 130 T HA -0.207 4.144 4.350 0.001 0.000 0.269 130 T C 2.085 176.783 174.700 -0.004 0.000 1.042 130 T CA 1.507 63.692 62.100 0.142 0.000 1.140 130 T CB -0.262 68.647 68.868 0.068 0.000 0.864 130 T HN 0.226 nan 8.240 nan 0.000 0.455 131 R N 0.203 120.590 120.500 -0.188 0.000 2.115 131 R HA 0.194 4.535 4.340 0.001 0.000 0.226 131 R C 2.541 178.582 176.300 -0.432 0.000 1.100 131 R CA 0.816 56.581 56.100 -0.559 0.000 0.980 131 R CB -0.281 29.485 30.300 -0.889 0.000 0.875 131 R HN 0.381 nan 8.270 nan 0.000 0.445 132 M N -0.469 118.994 119.600 -0.228 0.000 2.132 132 M HA -0.163 4.318 4.480 0.001 0.000 0.263 132 M C 1.335 177.492 176.300 -0.240 0.000 1.065 132 M CA 1.751 56.881 55.300 -0.284 0.000 1.122 132 M CB -0.089 32.448 32.600 -0.105 0.000 1.365 132 M HN 0.176 nan 8.290 nan 0.000 0.411 133 W N 0.796 122.067 121.300 -0.048 0.000 2.355 133 W HA -0.157 4.504 4.660 0.001 0.000 0.309 133 W C 2.101 178.597 176.519 -0.039 0.000 1.206 133 W CA 1.114 58.471 57.345 0.019 0.000 1.284 133 W CB -0.414 29.073 29.460 0.046 0.000 1.145 133 W HN 0.170 nan 8.180 nan 0.000 0.502 134 L N -0.248 121.062 121.223 0.146 0.000 2.191 134 L HA -0.200 4.141 4.340 0.001 0.000 0.212 134 L C 2.558 179.434 176.870 0.011 0.000 1.103 134 L CA 1.118 56.006 54.840 0.080 0.000 0.769 134 L CB -0.990 41.084 42.059 0.025 0.000 0.908 134 L HN 0.006 nan 8.230 nan 0.000 0.438 135 A N 0.042 122.746 122.820 -0.194 0.000 1.902 135 A HA -0.170 4.150 4.320 0.001 0.000 0.217 135 A C 2.218 179.571 177.584 -0.384 0.000 1.181 135 A CA 1.319 53.072 52.037 -0.473 0.000 0.623 135 A CB -0.656 17.639 19.000 -1.175 0.000 0.818 135 A HN 0.343 nan 8.150 nan 0.000 0.443 136 L N -0.073 121.030 121.223 -0.200 0.000 2.127 136 L HA -0.159 4.181 4.340 0.001 0.000 0.211 136 L C 2.192 179.231 176.870 0.282 0.000 1.089 136 L CA 1.532 56.467 54.840 0.159 0.000 0.757 136 L CB -0.281 41.907 42.059 0.214 0.000 0.899 136 L HN 0.468 nan 8.230 nan 0.000 0.434 137 V N -3.570 116.491 119.914 0.245 0.000 3.596 137 V HA 0.455 4.575 4.120 0.001 0.000 0.289 137 V C 1.213 177.429 176.094 0.204 0.000 1.336 137 V CA 0.255 62.729 62.300 0.290 0.000 1.137 137 V CB -0.438 31.535 31.823 0.250 0.000 0.966 137 V HN 0.471 nan 8.190 nan 0.000 0.428 138 G N 1.003 109.890 108.800 0.145 0.000 2.160 138 G HA2 -0.213 3.748 3.960 0.001 0.000 0.244 138 G HA3 -0.213 3.748 3.960 0.001 0.000 0.244 138 G C 0.206 175.192 174.900 0.143 0.000 1.022 138 G CA 0.459 45.636 45.100 0.129 0.000 0.741 138 G HN 0.568 nan 8.290 nan 0.000 0.508 139 E N -1.132 119.168 120.200 0.168 0.000 2.496 139 E HA 0.370 4.720 4.350 0.001 0.000 0.200 139 E C -0.335 176.476 176.600 0.352 0.000 1.016 139 E CA -0.284 56.254 56.400 0.230 0.000 0.962 139 E CB 0.307 30.129 29.700 0.204 0.000 1.071 139 E HN 0.720 nan 8.360 nan 0.000 0.457 140 Y N 0.487 120.843 120.300 0.092 0.000 2.393 140 Y HA 0.149 4.699 4.550 0.001 0.000 0.320 140 Y C -2.633 173.273 175.900 0.010 0.000 1.241 140 Y CA -1.888 56.274 58.100 0.103 0.000 1.122 140 Y CB 1.494 39.987 38.460 0.056 0.000 1.322 140 Y HN -0.127 nan 8.280 nan 0.000 0.441 141 P HA -0.079 nan 4.420 nan 0.000 0.261 141 P C 0.356 177.753 177.300 0.162 0.000 1.183 141 P CA 0.541 63.613 63.100 -0.047 0.000 0.761 141 P CB 0.634 32.224 31.700 -0.184 0.000 0.785 142 W N 2.495 123.883 121.300 0.147 0.000 2.374 142 W HA -0.155 4.506 4.660 0.001 0.000 0.288 142 W C 2.248 178.907 176.519 0.234 0.000 1.218 142 W CA 0.857 58.312 57.345 0.183 0.000 1.245 142 W CB -0.009 29.509 29.460 0.098 0.000 1.126 142 W HN 0.428 nan 8.180 nan 0.000 0.545 143 E N 0.369 120.828 120.200 0.432 0.000 2.472 143 E HA -0.140 4.210 4.350 0.001 0.000 0.200 143 E C 1.026 177.708 176.600 0.137 0.000 1.046 143 E CA 0.991 57.620 56.400 0.382 0.000 0.871 143 E CB -0.555 29.281 29.700 0.227 0.000 0.806 143 E HN 0.351 nan 8.360 nan 0.000 0.533 144 K N 1.042 121.561 120.400 0.198 0.000 2.387 144 K HA 0.201 4.522 4.320 0.001 0.000 0.198 144 K C -0.077 176.714 176.600 0.319 0.000 1.022 144 K CA -0.042 56.340 56.287 0.159 0.000 1.128 144 K CB 1.176 33.724 32.500 0.080 0.000 0.853 144 K HN -0.048 nan 8.250 nan 0.000 0.523 145 V N 3.071 123.234 119.914 0.415 0.000 2.394 145 V HA 0.207 4.327 4.120 0.001 0.000 0.282 145 V C -2.368 173.993 176.094 0.445 0.000 1.031 145 V CA -2.469 60.051 62.300 0.367 0.000 0.881 145 V CB 1.210 33.239 31.823 0.343 0.000 0.982 145 V HN -0.000 nan 8.190 nan 0.000 0.451 146 P HA 0.060 nan 4.420 nan 0.000 0.264 146 P C -0.462 177.042 177.300 0.340 0.000 1.179 146 P CA 0.068 63.385 63.100 0.362 0.000 0.763 146 P CB 0.347 32.215 31.700 0.280 0.000 0.806 147 M N 4.072 123.807 119.600 0.225 0.000 2.318 147 M HA 0.432 4.913 4.480 0.001 0.000 0.347 147 M C -1.378 174.879 176.300 -0.071 0.000 1.175 147 M CA -0.237 55.049 55.300 -0.023 0.000 1.075 147 M CB 1.185 33.631 32.600 -0.257 0.000 1.614 147 M HN -0.017 nan 8.290 nan 0.000 0.456 148 V N 7.074 126.872 119.914 -0.194 0.000 2.462 148 V HA 0.517 4.637 4.120 0.001 0.000 0.288 148 V C -2.351 173.594 176.094 -0.248 0.000 1.020 148 V CA -1.074 61.062 62.300 -0.273 0.000 0.857 148 V CB 1.626 33.132 31.823 -0.527 0.000 1.013 148 V HN 0.805 nan 8.190 nan 0.000 0.431 149 P HA 0.317 nan 4.420 nan 0.000 0.284 149 P C -2.230 174.960 177.300 -0.183 0.000 1.253 149 P CA -1.863 61.149 63.100 -0.147 0.000 0.800 149 P CB 1.739 33.415 31.700 -0.040 0.000 0.961 150 P HA -0.149 nan 4.420 nan 0.000 0.221 150 P C 0.979 178.106 177.300 -0.288 0.000 1.145 150 P CA 1.338 64.294 63.100 -0.239 0.000 0.795 150 P CB 0.196 31.773 31.700 -0.206 0.000 0.775 151 E N 0.038 120.135 120.200 -0.172 0.000 2.267 151 E HA -0.130 4.220 4.350 0.001 0.000 0.197 151 E C 1.957 178.459 176.600 -0.164 0.000 0.998 151 E CA 0.377 56.694 56.400 -0.137 0.000 0.830 151 E CB -1.156 28.648 29.700 0.173 0.000 0.751 151 E HN 0.298 nan 8.360 nan 0.000 0.491 152 I N 0.106 120.578 120.570 -0.163 0.000 2.502 152 I HA -0.295 3.876 4.170 0.001 0.000 0.258 152 I C 1.205 177.205 176.117 -0.195 0.000 1.172 152 I CA 0.970 62.184 61.300 -0.143 0.000 1.430 152 I CB 0.084 37.960 38.000 -0.207 0.000 1.086 152 I HN 0.158 nan 8.210 nan 0.000 0.440 153 M N -0.239 119.155 119.600 -0.343 0.000 2.549 153 M HA -0.131 4.349 4.480 0.001 0.000 0.260 153 M C 1.520 177.660 176.300 -0.265 0.000 1.076 153 M CA 1.310 56.389 55.300 -0.369 0.000 1.090 153 M CB -1.074 31.244 32.600 -0.471 0.000 1.418 153 M HN 0.243 nan 8.290 nan 0.000 0.486 154 F N -0.076 119.851 119.950 -0.039 0.000 2.569 154 F HA 0.178 4.706 4.527 0.001 0.000 0.295 154 F C 1.045 176.833 175.800 -0.019 0.000 1.115 154 F CA -0.520 57.461 58.000 -0.032 0.000 1.450 154 F CB -0.695 38.276 39.000 -0.048 0.000 1.107 154 F HN -0.085 nan 8.300 nan 0.000 0.563 155 L N 1.031 122.347 121.223 0.154 0.000 2.584 155 L HA 0.100 4.440 4.340 0.001 0.000 0.272 155 L C 1.198 178.130 176.870 0.103 0.000 1.195 155 L CA -0.124 54.780 54.840 0.107 0.000 0.920 155 L CB -0.711 41.398 42.059 0.084 0.000 1.173 155 L HN 0.127 nan 8.230 nan 0.000 0.489 156 G N 2.716 111.564 108.800 0.081 0.000 2.634 156 G HA2 0.092 4.052 3.960 0.001 0.000 0.255 156 G HA3 0.092 4.052 3.960 0.001 0.000 0.255 156 G C 0.776 175.714 174.900 0.064 0.000 1.205 156 G CA -0.546 44.593 45.100 0.064 0.000 0.884 156 G HN 0.774 nan 8.290 nan 0.000 0.549 157 K N -0.079 120.338 120.400 0.028 0.000 2.127 157 K HA -0.180 4.140 4.320 0.001 0.000 0.212 157 K C 1.226 177.845 176.600 0.033 0.000 1.050 157 K CA 1.523 57.809 56.287 -0.002 0.000 0.929 157 K CB -0.077 32.379 32.500 -0.073 0.000 0.715 157 K HN 0.502 nan 8.250 nan 0.000 0.457 158 R N 1.189 121.704 120.500 0.025 0.000 2.790 158 R HA 0.349 4.690 4.340 0.001 0.000 0.274 158 R C -0.727 175.593 176.300 0.033 0.000 1.334 158 R CA 0.066 56.182 56.100 0.027 0.000 1.543 158 R CB -0.102 30.206 30.300 0.012 0.000 1.154 158 R HN 0.055 nan 8.270 nan 0.000 0.601 159 M N 2.645 122.274 119.600 0.048 0.000 2.365 159 M HA 0.320 4.801 4.480 0.001 0.000 0.288 159 M C -2.698 173.636 176.300 0.057 0.000 1.152 159 M CA -1.869 53.459 55.300 0.047 0.000 0.948 159 M CB 3.822 36.452 32.600 0.050 0.000 1.729 159 M HN 0.087 nan 8.290 nan 0.000 0.487 160 P HA 0.003 nan 4.420 nan 0.000 0.260 160 P C 0.206 177.549 177.300 0.073 0.000 1.172 160 P CA 0.536 63.666 63.100 0.050 0.000 0.760 160 P CB 0.522 32.252 31.700 0.049 0.000 0.773 161 L N -1.334 119.930 121.223 0.067 0.000 4.560 161 L HA -0.278 4.063 4.340 0.001 0.000 0.415 161 L C 0.704 177.718 176.870 0.241 0.000 1.123 161 L CA 0.590 55.516 54.840 0.142 0.000 0.991 161 L CB -2.122 40.026 42.059 0.150 0.000 2.127 161 L HN 0.562 nan 8.230 nan 0.000 0.765 162 N N 1.066 119.872 118.700 0.177 0.000 2.508 162 N HA 0.308 5.048 4.740 0.001 0.000 0.264 162 N C 1.412 177.038 175.510 0.193 0.000 1.216 162 N CA 0.038 53.182 53.050 0.157 0.000 0.943 162 N CB 0.511 39.097 38.487 0.164 0.000 1.113 162 N HN 0.358 nan 8.380 nan 0.000 0.447 163 I N -2.340 118.215 120.570 -0.025 0.000 2.597 163 I HA -0.282 3.888 4.170 0.001 0.000 0.262 163 I C 0.227 176.194 176.117 -0.250 0.000 1.194 163 I CA 1.291 62.405 61.300 -0.311 0.000 1.437 163 I CB -0.558 37.024 38.000 -0.696 0.000 1.096 163 I HN 0.496 nan 8.210 nan 0.000 0.451 164 Y N 1.375 121.727 120.300 0.087 0.000 2.461 164 Y HA 0.194 4.745 4.550 0.001 0.000 0.277 164 Y C 1.965 177.937 175.900 0.120 0.000 1.182 164 Y CA 0.150 58.319 58.100 0.115 0.000 1.276 164 Y CB -0.110 38.409 38.460 0.099 0.000 1.087 164 Y HN 0.288 nan 8.280 nan 0.000 0.519 165 E N -0.692 119.649 120.200 0.235 0.000 2.476 165 E HA 0.078 4.429 4.350 0.001 0.000 0.199 165 E C -0.476 176.097 176.600 -0.046 0.000 1.021 165 E CA 0.006 56.451 56.400 0.075 0.000 0.907 165 E CB 0.311 30.006 29.700 -0.009 0.000 0.974 165 E HN 0.197 nan 8.360 nan 0.000 0.489 166 F N 0.972 120.850 119.950 -0.119 0.000 2.378 166 F HA 0.381 4.908 4.527 0.001 0.000 0.325 166 F C 1.389 177.036 175.800 -0.257 0.000 1.097 166 F CA -0.717 57.172 58.000 -0.184 0.000 1.079 166 F CB 0.616 39.490 39.000 -0.209 0.000 1.240 166 F HN -0.213 nan 8.300 nan 0.000 0.519 167 G N 0.179 108.827 108.800 -0.253 0.000 2.544 167 G HA2 0.287 4.248 3.960 0.001 0.000 0.242 167 G HA3 0.287 4.248 3.960 0.001 0.000 0.242 167 G C 0.840 175.378 174.900 -0.604 0.000 1.247 167 G CA 0.050 44.758 45.100 -0.654 0.000 0.840 167 G HN 0.815 nan 8.290 nan 0.000 0.578 168 S N 0.396 115.834 115.700 -0.437 0.000 2.380 168 S HA -0.285 4.185 4.470 0.001 0.000 0.229 168 S C 1.948 176.382 174.600 -0.276 0.000 1.043 168 S CA 2.371 60.418 58.200 -0.255 0.000 1.038 168 S CB -0.830 62.208 63.200 -0.271 0.000 0.872 168 S HN 0.978 nan 8.310 nan 0.000 0.456 169 W N 2.277 123.544 121.300 -0.054 0.000 2.388 169 W HA 0.375 5.035 4.660 0.001 0.000 0.294 169 W C 2.419 178.998 176.519 0.100 0.000 1.212 169 W CA 0.529 57.885 57.345 0.017 0.000 1.271 169 W CB -0.969 28.603 29.460 0.186 0.000 1.126 169 W HN 0.352 nan 8.180 nan 0.000 0.535 170 A N 1.147 123.994 122.820 0.045 0.000 1.970 170 A HA -0.003 4.317 4.320 0.001 0.000 0.216 170 A C 2.241 179.802 177.584 -0.039 0.000 1.170 170 A CA 1.311 53.454 52.037 0.176 0.000 0.645 170 A CB -0.843 18.292 19.000 0.226 0.000 0.816 170 A HN 0.367 nan 8.150 nan 0.000 0.447 171 R N -0.005 120.400 120.500 -0.159 0.000 2.115 171 R HA -0.217 4.124 4.340 0.001 0.000 0.239 171 R C 2.292 178.366 176.300 -0.376 0.000 1.133 171 R CA 1.946 57.837 56.100 -0.349 0.000 0.935 171 R CB -0.498 29.648 30.300 -0.256 0.000 0.853 171 R HN 0.418 nan 8.270 nan 0.000 0.433 172 A N -0.211 122.556 122.820 -0.089 0.000 1.908 172 A HA -0.156 4.164 4.320 0.001 0.000 0.218 172 A C 2.213 179.803 177.584 0.010 0.000 1.181 172 A CA 2.155 54.253 52.037 0.101 0.000 0.627 172 A CB -0.913 18.273 19.000 0.310 0.000 0.818 172 A HN 0.561 nan 8.150 nan 0.000 0.445 173 T N -0.337 114.248 114.554 0.052 0.000 2.746 173 T HA -0.110 4.241 4.350 0.001 0.000 0.267 173 T C 1.871 176.521 174.700 -0.083 0.000 1.039 173 T CA 1.503 63.674 62.100 0.118 0.000 1.142 173 T CB -0.478 68.557 68.868 0.278 0.000 0.866 173 T HN 0.167 nan 8.240 nan 0.000 0.444 174 V N 1.415 121.181 119.914 -0.246 0.000 2.295 174 V HA -0.168 3.952 4.120 0.001 0.000 0.246 174 V C 2.703 178.517 176.094 -0.465 0.000 1.049 174 V CA 1.404 63.423 62.300 -0.469 0.000 1.024 174 V CB -0.826 30.555 31.823 -0.737 0.000 0.648 174 V HN 0.321 nan 8.190 nan 0.000 0.447 175 V N 0.460 120.084 119.914 -0.483 0.000 2.255 175 V HA -0.286 3.834 4.120 0.001 0.000 0.247 175 V C 2.759 178.693 176.094 -0.267 0.000 1.051 175 V CA 2.181 64.214 62.300 -0.444 0.000 1.018 175 V CB -1.383 30.089 31.823 -0.586 0.000 0.641 175 V HN 0.555 nan 8.190 nan 0.000 0.445 176 A N -0.332 122.380 122.820 -0.180 0.000 1.917 176 A HA -0.202 4.118 4.320 0.001 0.000 0.219 176 A C 2.260 179.755 177.584 -0.148 0.000 1.182 176 A CA 2.087 54.048 52.037 -0.128 0.000 0.633 176 A CB -0.623 18.340 19.000 -0.061 0.000 0.819 176 A HN 0.510 nan 8.150 nan 0.000 0.448 177 L N 0.259 121.353 121.223 -0.215 0.000 2.056 177 L HA -0.186 4.155 4.340 0.001 0.000 0.207 177 L C 3.073 179.774 176.870 -0.281 0.000 1.078 177 L CA 1.541 56.213 54.840 -0.279 0.000 0.749 177 L CB -0.532 41.287 42.059 -0.399 0.000 0.901 177 L HN 0.657 nan 8.230 nan 0.000 0.433 178 S N 0.247 115.757 115.700 -0.317 0.000 2.402 178 S HA -0.216 4.255 4.470 0.001 0.000 0.233 178 S C 1.918 176.370 174.600 -0.246 0.000 1.030 178 S CA 1.161 59.181 58.200 -0.299 0.000 1.003 178 S CB -0.542 62.471 63.200 -0.312 0.000 0.813 178 S HN 0.278 nan 8.310 nan 0.000 0.477 179 I N 1.650 122.096 120.570 -0.206 0.000 2.202 179 I HA -0.074 4.096 4.170 0.001 0.000 0.242 179 I C 2.600 178.612 176.117 -0.175 0.000 1.091 179 I CA 0.908 62.108 61.300 -0.167 0.000 1.368 179 I CB -1.551 36.378 38.000 -0.118 0.000 1.058 179 I HN 0.261 nan 8.210 nan 0.000 0.410 180 V N 0.610 120.429 119.914 -0.158 0.000 2.295 180 V HA -0.267 3.853 4.120 0.001 0.000 0.246 180 V C 2.523 178.439 176.094 -0.296 0.000 1.049 180 V CA 1.754 63.968 62.300 -0.143 0.000 1.024 180 V CB -0.608 31.186 31.823 -0.049 0.000 0.648 180 V HN 0.333 nan 8.190 nan 0.000 0.447 181 M N -0.244 119.164 119.600 -0.319 0.000 2.557 181 M HA -0.098 4.383 4.480 0.001 0.000 0.259 181 M C 2.321 178.334 176.300 -0.478 0.000 1.086 181 M CA 1.218 56.234 55.300 -0.474 0.000 1.096 181 M CB -0.249 32.176 32.600 -0.291 0.000 1.424 181 M HN 0.417 nan 8.290 nan 0.000 0.488 182 S N 0.160 115.638 115.700 -0.370 0.000 2.377 182 S HA -0.031 4.439 4.470 0.001 0.000 0.223 182 S C 1.944 176.317 174.600 -0.378 0.000 1.030 182 S CA 0.902 58.893 58.200 -0.349 0.000 0.970 182 S CB 0.090 63.129 63.200 -0.268 0.000 0.830 182 S HN 0.360 nan 8.310 nan 0.000 0.473 183 R N 0.809 121.097 120.500 -0.353 0.000 2.223 183 R HA 0.258 4.598 4.340 0.001 0.000 0.198 183 R C 0.147 176.178 176.300 -0.449 0.000 0.984 183 R CA 0.124 56.029 56.100 -0.325 0.000 1.018 183 R CB -0.896 29.274 30.300 -0.217 0.000 0.945 183 R HN 0.579 nan 8.270 nan 0.000 0.479 184 Q N 1.433 120.810 119.800 -0.705 0.000 2.439 184 Q HA -0.143 4.198 4.340 0.001 0.000 0.361 184 Q C -2.117 173.493 176.000 -0.649 0.000 1.408 184 Q CA 0.130 55.178 55.803 -1.259 0.000 1.052 184 Q CB -1.152 26.783 28.738 -1.338 0.000 1.233 184 Q HN 0.291 nan 8.270 nan 0.000 0.347 185 P HA 0.399 nan 4.420 nan 0.000 0.279 185 P C -0.481 176.740 177.300 -0.131 0.000 1.252 185 P CA -0.434 62.512 63.100 -0.258 0.000 0.811 185 P CB 1.525 33.046 31.700 -0.298 0.000 1.035 186 V N 2.334 122.008 119.914 -0.401 0.000 2.569 186 V HA 0.304 4.425 4.120 0.001 0.000 0.301 186 V C -0.730 175.090 176.094 -0.458 0.000 1.044 186 V CA -0.278 61.888 62.300 -0.223 0.000 0.874 186 V CB 1.240 33.077 31.823 0.024 0.000 1.002 186 V HN 0.332 nan 8.190 nan 0.000 0.424 187 F N 5.450 125.498 119.950 0.163 0.000 2.310 187 F HA 0.477 5.004 4.527 0.001 0.000 0.365 187 F C -2.200 173.756 175.800 0.260 0.000 1.080 187 F CA -2.796 55.284 58.000 0.133 0.000 1.187 187 F CB 0.911 39.937 39.000 0.043 0.000 1.465 187 F HN 0.294 nan 8.300 nan 0.000 0.496 188 P HA -0.050 nan 4.420 nan 0.000 0.263 188 P C -0.193 177.327 177.300 0.366 0.000 1.175 188 P CA 0.421 63.685 63.100 0.273 0.000 0.761 188 P CB 0.677 32.486 31.700 0.183 0.000 0.794 189 L N 5.369 126.734 121.223 0.236 0.000 2.379 189 L HA 0.416 4.757 4.340 0.001 0.000 0.269 189 L C -1.563 175.397 176.870 0.151 0.000 1.084 189 L CA -2.145 52.777 54.840 0.137 0.000 0.802 189 L CB 0.526 42.628 42.059 0.072 0.000 1.175 189 L HN 0.298 nan 8.230 nan 0.000 0.448 190 P HA 0.041 nan 4.420 nan 0.000 0.270 190 P C -0.079 177.261 177.300 0.067 0.000 1.223 190 P CA -0.225 62.932 63.100 0.095 0.000 0.785 190 P CB 0.774 32.505 31.700 0.051 0.000 0.923 191 E N 1.353 121.587 120.200 0.057 0.000 2.070 191 E HA -0.256 4.095 4.350 0.001 0.000 0.197 191 E C 1.961 178.585 176.600 0.039 0.000 1.004 191 E CA 1.562 57.993 56.400 0.052 0.000 0.805 191 E CB -0.374 29.352 29.700 0.044 0.000 0.744 191 E HN 0.541 nan 8.360 nan 0.000 0.451 192 R N 0.741 121.251 120.500 0.017 0.000 2.276 192 R HA -0.104 4.236 4.340 0.001 0.000 0.243 192 R C 1.653 177.952 176.300 -0.001 0.000 1.161 192 R CA 1.563 57.664 56.100 0.000 0.000 1.007 192 R CB -0.180 30.103 30.300 -0.028 0.000 0.867 192 R HN 0.128 nan 8.270 nan 0.000 0.472 193 A N 0.681 123.509 122.820 0.013 0.000 2.469 193 A HA 0.246 4.566 4.320 0.001 0.000 0.245 193 A C 0.024 177.652 177.584 0.073 0.000 1.221 193 A CA -0.657 51.398 52.037 0.030 0.000 0.946 193 A CB 0.207 19.230 19.000 0.038 0.000 1.049 193 A HN 0.174 nan 8.150 nan 0.000 0.529 194 R N 0.143 120.694 120.500 0.084 0.000 2.585 194 R HA 0.226 4.566 4.340 0.001 0.000 0.275 194 R C -0.030 176.349 176.300 0.131 0.000 1.018 194 R CA 0.642 56.809 56.100 0.111 0.000 1.072 194 R CB 0.365 30.728 30.300 0.106 0.000 0.953 194 R HN 0.263 nan 8.270 nan 0.000 0.419 195 V N 0.560 120.571 119.914 0.162 0.000 2.435 195 V HA 0.200 4.321 4.120 0.001 0.000 0.263 195 V C -1.740 174.479 176.094 0.207 0.000 1.087 195 V CA -1.363 61.057 62.300 0.200 0.000 1.253 195 V CB 0.786 32.757 31.823 0.245 0.000 1.462 195 V HN 0.713 nan 8.190 nan 0.000 0.547 196 P HA -0.198 nan 4.420 nan 0.000 0.218 196 P C 1.314 178.769 177.300 0.260 0.000 1.149 196 P CA 1.611 64.886 63.100 0.292 0.000 0.817 196 P CB 0.276 32.093 31.700 0.196 0.000 0.785 197 E N 0.612 120.915 120.200 0.171 0.000 2.526 197 E HA -0.125 4.225 4.350 0.001 0.000 0.205 197 E C 1.477 178.096 176.600 0.032 0.000 1.104 197 E CA 0.558 57.024 56.400 0.111 0.000 0.899 197 E CB -0.888 28.880 29.700 0.113 0.000 0.838 197 E HN 0.375 nan 8.360 nan 0.000 0.564 198 L N -0.775 120.445 121.223 -0.005 0.000 2.567 198 L HA 0.094 4.435 4.340 0.001 0.000 0.225 198 L C 1.238 177.973 176.870 -0.225 0.000 1.119 198 L CA 0.189 54.928 54.840 -0.168 0.000 0.871 198 L CB -0.115 41.801 42.059 -0.238 0.000 1.036 198 L HN 0.021 nan 8.230 nan 0.000 0.459 199 Y N -0.204 120.115 120.300 0.032 0.000 2.503 199 Y HA 0.079 4.630 4.550 0.001 0.000 0.277 199 Y C 1.103 177.010 175.900 0.012 0.000 1.102 199 Y CA -0.401 57.717 58.100 0.029 0.000 1.261 199 Y CB 0.200 38.680 38.460 0.034 0.000 1.096 199 Y HN 0.047 nan 8.280 nan 0.000 0.546 200 E N 1.587 121.881 120.200 0.156 0.000 1.855 200 E HA 0.068 4.418 4.350 0.001 0.000 0.259 200 E C -0.595 176.031 176.600 0.044 0.000 1.229 200 E CA 0.417 56.870 56.400 0.088 0.000 1.042 200 E CB -0.281 29.461 29.700 0.070 0.000 1.079 200 E HN 0.082 nan 8.360 nan 0.000 0.434 201 T N 0.830 115.411 114.554 0.046 0.000 2.889 201 T HA 0.065 4.416 4.350 0.001 0.000 0.315 201 T C 0.073 174.787 174.700 0.023 0.000 1.291 201 T CA -0.909 61.202 62.100 0.018 0.000 1.028 201 T CB 1.297 70.161 68.868 -0.006 0.000 1.235 201 T HN 0.362 nan 8.240 nan 0.000 0.491 202 D N 0.413 120.820 120.400 0.012 0.000 2.323 202 D HA 0.034 4.675 4.640 0.001 0.000 0.218 202 D C 0.941 177.247 176.300 0.010 0.000 0.973 202 D CA 0.361 54.369 54.000 0.014 0.000 0.890 202 D CB -0.359 40.447 40.800 0.011 0.000 1.011 202 D HN 0.310 nan 8.370 nan 0.000 0.499 203 V N 4.323 124.237 119.914 0.000 0.000 2.790 203 V HA -0.002 4.118 4.120 0.001 0.000 0.304 203 V C -1.768 174.328 176.094 0.003 0.000 1.142 203 V CA -0.425 61.872 62.300 -0.004 0.000 1.282 203 V CB -0.113 31.696 31.823 -0.023 0.000 0.877 203 V HN 0.214 nan 8.190 nan 0.000 0.504 204 P HA 0.224 nan 4.420 nan 0.000 0.275 204 P C -2.569 174.740 177.300 0.015 0.000 1.227 204 P CA -1.660 61.450 63.100 0.015 0.000 0.781 204 P CB 0.401 32.111 31.700 0.016 0.000 0.906 205 P HA 0.049 nan 4.420 nan 0.000 0.266 205 P C -0.020 177.295 177.300 0.025 0.000 1.215 205 P CA 0.174 63.291 63.100 0.027 0.000 0.763 205 P CB 0.292 32.022 31.700 0.049 0.000 0.806 206 R N 3.375 123.885 120.500 0.017 0.000 3.436 206 R HA 0.351 4.692 4.340 0.001 0.000 0.247 206 R C 0.167 176.482 176.300 0.027 0.000 1.434 206 R CA -0.803 55.309 56.100 0.021 0.000 1.543 206 R CB 0.198 30.507 30.300 0.015 0.000 1.289 206 R HN 0.314 nan 8.270 nan 0.000 0.664 207 R N 2.160 122.681 120.500 0.034 0.000 2.537 207 R HA 0.066 4.407 4.340 0.001 0.000 0.280 207 R C -0.360 175.961 176.300 0.035 0.000 1.058 207 R CA -0.293 55.829 56.100 0.037 0.000 1.057 207 R CB 0.742 31.069 30.300 0.046 0.000 0.973 207 R HN 0.467 nan 8.270 nan 0.000 0.438 208 R N 2.754 123.273 120.500 0.031 0.000 2.340 208 R HA 0.225 4.565 4.340 0.001 0.000 0.300 208 R C -0.378 175.935 176.300 0.022 0.000 1.069 208 R CA -0.039 56.077 56.100 0.026 0.000 0.984 208 R CB 1.067 31.381 30.300 0.024 0.000 1.003 208 R HN 0.839 nan 8.270 nan 0.000 0.459 209 G N 1.826 110.641 108.800 0.025 0.000 2.531 209 G HA2 0.494 4.455 3.960 0.001 0.000 0.313 209 G HA3 0.494 4.455 3.960 0.001 0.000 0.313 209 G C -0.701 174.206 174.900 0.011 0.000 1.238 209 G CA -0.516 44.601 45.100 0.028 0.000 0.994 209 G HN 0.844 nan 8.290 nan 0.000 0.493 210 A N 0.018 122.847 122.820 0.015 0.000 2.547 210 A HA 0.272 4.592 4.320 0.001 0.000 0.233 210 A C 1.787 179.364 177.584 -0.012 0.000 1.067 210 A CA 0.129 52.159 52.037 -0.012 0.000 0.763 210 A CB 0.253 19.250 19.000 -0.006 0.000 1.007 210 A HN 0.600 nan 8.150 nan 0.000 0.506 211 K N 1.825 122.193 120.400 -0.053 0.000 1.998 211 K HA -0.210 4.110 4.320 0.001 0.000 0.228 211 K C 1.586 178.168 176.600 -0.029 0.000 1.053 211 K CA 2.259 58.508 56.287 -0.063 0.000 0.988 211 K CB -1.059 31.374 32.500 -0.112 0.000 0.735 211 K HN 0.870 nan 8.250 nan 0.000 0.448 212 G N 0.196 108.972 108.800 -0.040 0.000 3.591 212 G HA2 0.417 4.377 3.960 0.001 0.000 0.282 212 G HA3 0.417 4.377 3.960 0.001 0.000 0.282 212 G C 0.059 175.108 174.900 0.248 0.000 1.238 212 G CA 0.323 45.462 45.100 0.066 0.000 0.993 212 G HN 0.575 nan 8.290 nan 0.000 0.542 213 G N -1.420 107.482 108.800 0.169 0.000 2.721 213 G HA2 0.416 4.377 3.960 0.001 0.000 0.686 213 G HA3 0.416 4.377 3.960 0.001 0.000 0.686 213 G C 0.089 175.099 174.900 0.182 0.000 1.236 213 G CA -0.393 44.797 45.100 0.148 0.000 0.786 213 G HN 1.111 nan 8.290 nan 0.000 0.616 214 G N 0.339 109.220 108.800 0.136 0.000 2.437 214 G HA2 0.781 4.742 3.960 0.001 0.000 0.315 214 G HA3 0.781 4.742 3.960 0.001 0.000 0.315 214 G C 0.572 175.581 174.900 0.182 0.000 1.210 214 G CA 0.643 45.849 45.100 0.177 0.000 0.943 214 G HN 1.607 nan 8.290 nan 0.000 0.471 215 G N 2.255 111.195 108.800 0.233 0.000 2.398 215 G HA2 0.263 4.224 3.960 0.001 0.000 0.246 215 G HA3 0.263 4.224 3.960 0.001 0.000 0.246 215 G C 1.111 175.953 174.900 -0.096 0.000 1.289 215 G CA -0.449 44.638 45.100 -0.021 0.000 0.869 215 G HN 0.833 nan 8.290 nan 0.000 0.543 216 W N 2.723 124.016 121.300 -0.013 0.000 2.436 216 W HA -0.136 4.524 4.660 0.001 0.000 0.261 216 W C 1.096 177.577 176.519 -0.064 0.000 1.222 216 W CA 0.213 57.549 57.345 -0.014 0.000 1.191 216 W CB -0.746 28.700 29.460 -0.024 0.000 1.132 216 W HN 0.468 nan 8.180 nan 0.000 0.596 217 I N 0.440 120.366 120.570 -1.073 0.000 2.133 217 I HA -0.262 3.909 4.170 0.001 0.000 0.238 217 I C 2.494 178.279 176.117 -0.553 0.000 1.074 217 I CA 1.639 62.266 61.300 -1.122 0.000 1.342 217 I CB -1.128 36.005 38.000 -1.445 0.000 1.053 217 I HN -0.243 nan 8.210 nan 0.000 0.404 218 F N 1.271 121.104 119.950 -0.195 0.000 2.161 218 F HA -0.230 4.298 4.527 0.001 0.000 0.300 218 F C 2.207 178.012 175.800 0.008 0.000 1.089 218 F CA 1.657 59.621 58.000 -0.060 0.000 1.282 218 F CB -1.083 37.904 39.000 -0.023 0.000 1.010 218 F HN 0.125 nan 8.300 nan 0.000 0.485 219 D N 0.027 120.536 120.400 0.181 0.000 2.104 219 D HA -0.188 4.453 4.640 0.001 0.000 0.194 219 D C 2.265 178.652 176.300 0.145 0.000 0.994 219 D CA 1.550 55.651 54.000 0.169 0.000 0.830 219 D CB -0.194 40.712 40.800 0.177 0.000 0.959 219 D HN 0.162 nan 8.370 nan 0.000 0.452 220 A N -0.020 122.873 122.820 0.122 0.000 1.855 220 A HA -0.096 4.225 4.320 0.001 0.000 0.215 220 A C 2.094 179.738 177.584 0.100 0.000 1.191 220 A CA 1.259 53.371 52.037 0.126 0.000 0.613 220 A CB -1.008 18.086 19.000 0.157 0.000 0.829 220 A HN 0.363 nan 8.150 nan 0.000 0.442 221 L N 0.665 121.923 121.223 0.059 0.000 2.043 221 L HA -0.232 4.109 4.340 0.001 0.000 0.212 221 L C 1.864 178.815 176.870 0.135 0.000 1.075 221 L CA 2.925 57.810 54.840 0.074 0.000 0.752 221 L CB -0.973 41.122 42.059 0.059 0.000 0.891 221 L HN 0.547 nan 8.230 nan 0.000 0.432 222 D N -0.886 119.619 120.400 0.176 0.000 2.087 222 D HA -0.225 4.416 4.640 0.001 0.000 0.192 222 D C 2.254 178.726 176.300 0.287 0.000 0.993 222 D CA 1.751 55.893 54.000 0.237 0.000 0.828 222 D CB -0.040 40.907 40.800 0.244 0.000 0.968 222 D HN 0.353 nan 8.370 nan 0.000 0.448 223 R N 0.327 120.951 120.500 0.208 0.000 2.117 223 R HA -0.139 4.202 4.340 0.001 0.000 0.243 223 R C 2.416 178.830 176.300 0.191 0.000 1.143 223 R CA 1.257 57.462 56.100 0.176 0.000 0.968 223 R CB -0.522 29.847 30.300 0.116 0.000 0.863 223 R HN 0.197 nan 8.270 nan 0.000 0.444 224 A N 1.696 124.611 122.820 0.159 0.000 1.865 224 A HA -0.145 4.176 4.320 0.001 0.000 0.217 224 A C 2.259 179.951 177.584 0.181 0.000 1.191 224 A CA 1.277 53.398 52.037 0.140 0.000 0.623 224 A CB -0.673 18.384 19.000 0.095 0.000 0.826 224 A HN 0.196 nan 8.150 nan 0.000 0.444 225 L N -1.627 119.702 121.223 0.177 0.000 2.127 225 L HA -0.234 4.106 4.340 0.001 0.000 0.211 225 L C 2.510 179.457 176.870 0.128 0.000 1.089 225 L CA 1.635 56.576 54.840 0.168 0.000 0.757 225 L CB -0.602 41.515 42.059 0.097 0.000 0.899 225 L HN 0.505 nan 8.230 nan 0.000 0.434 226 H N -1.046 118.096 119.070 0.120 0.000 2.462 226 H HA -0.047 4.510 4.556 0.001 0.000 0.292 226 H C 2.152 177.538 175.328 0.097 0.000 1.049 226 H CA 1.164 57.270 56.048 0.097 0.000 1.334 226 H CB -0.043 29.777 29.762 0.097 0.000 1.404 226 H HN 0.285 nan 8.280 nan 0.000 0.544 227 G N -0.608 108.330 108.800 0.230 0.000 2.395 227 G HA2 -0.294 3.667 3.960 0.001 0.000 0.214 227 G HA3 -0.294 3.667 3.960 0.001 0.000 0.214 227 G C 1.452 176.468 174.900 0.193 0.000 1.177 227 G CA 0.466 45.673 45.100 0.178 0.000 0.794 227 G HN 0.423 nan 8.290 nan 0.000 0.532 228 Y N 1.332 121.686 120.300 0.091 0.000 2.315 228 Y HA -0.157 4.394 4.550 0.001 0.000 0.288 228 Y C 2.749 178.777 175.900 0.214 0.000 1.154 228 Y CA 1.805 59.972 58.100 0.111 0.000 1.229 228 Y CB -0.252 38.273 38.460 0.108 0.000 0.980 228 Y HN 0.298 nan 8.280 nan 0.000 0.540 229 Q N 0.638 120.466 119.800 0.046 0.000 2.119 229 Q HA -0.129 4.212 4.340 0.001 0.000 0.201 229 Q C 1.957 177.991 176.000 0.057 0.000 0.972 229 Q CA 1.627 57.386 55.803 -0.073 0.000 0.847 229 Q CB -0.122 28.536 28.738 -0.133 0.000 0.903 229 Q HN 0.192 nan 8.270 nan 0.000 0.433 230 K N 0.086 120.522 120.400 0.060 0.000 2.209 230 K HA -0.046 4.274 4.320 0.001 0.000 0.204 230 K C 0.730 177.335 176.600 0.009 0.000 1.048 230 K CA 0.322 56.635 56.287 0.042 0.000 0.940 230 K CB -0.560 31.972 32.500 0.053 0.000 0.729 230 K HN 0.303 nan 8.250 nan 0.000 0.451 231 L N 0.283 121.478 121.223 -0.047 0.000 2.453 231 L HA -0.103 4.238 4.340 0.001 0.000 0.274 231 L C 1.788 178.525 176.870 -0.222 0.000 1.270 231 L CA 0.241 54.964 54.840 -0.196 0.000 0.822 231 L CB 0.014 41.843 42.059 -0.383 0.000 1.091 231 L HN 0.064 nan 8.230 nan 0.000 0.546 232 S N -0.371 115.196 115.700 -0.222 0.000 2.524 232 S HA 0.177 4.647 4.470 0.001 0.000 0.215 232 S C -0.248 174.243 174.600 -0.182 0.000 0.986 232 S CA -0.170 57.945 58.200 -0.141 0.000 0.911 232 S CB 0.077 63.226 63.200 -0.085 0.000 0.805 232 S HN 0.409 nan 8.310 nan 0.000 0.501 233 V N 0.924 120.623 119.914 -0.358 0.000 2.653 233 V HA 0.584 4.704 4.120 0.001 0.000 0.298 233 V C -1.844 174.001 176.094 -0.415 0.000 1.097 233 V CA -0.940 61.201 62.300 -0.266 0.000 0.908 233 V CB 0.712 32.452 31.823 -0.138 0.000 1.024 233 V HN 0.290 nan 8.190 nan 0.000 0.435 234 H N 5.682 124.699 119.070 -0.089 0.000 2.691 234 H HA 0.586 5.142 4.556 0.001 0.000 0.281 234 H C -2.503 172.865 175.328 0.067 0.000 1.121 234 H CA -1.788 54.247 56.048 -0.022 0.000 1.254 234 H CB 1.356 30.980 29.762 -0.231 0.000 1.390 234 H HN 0.601 nan 8.280 nan 0.000 0.491 235 P HA -0.102 nan 4.420 nan 0.000 0.266 235 P C -0.118 177.245 177.300 0.105 0.000 1.195 235 P CA 0.074 63.138 63.100 -0.060 0.000 0.768 235 P CB 0.580 32.190 31.700 -0.150 0.000 0.838 236 F N -0.605 119.423 119.950 0.131 0.000 2.973 236 F HA -0.240 4.288 4.527 0.001 0.000 0.299 236 F C 1.879 177.838 175.800 0.264 0.000 0.737 236 F CA 1.343 59.447 58.000 0.173 0.000 1.151 236 F CB -2.022 37.041 39.000 0.105 0.000 1.440 236 F HN 0.401 nan 8.300 nan 0.000 0.367 237 R N 1.070 121.754 120.500 0.307 0.000 2.093 237 R HA -0.018 4.322 4.340 0.001 0.000 0.224 237 R C 2.342 178.711 176.300 0.116 0.000 1.101 237 R CA 1.366 57.591 56.100 0.208 0.000 0.979 237 R CB -0.213 30.158 30.300 0.117 0.000 0.877 237 R HN 0.427 nan 8.270 nan 0.000 0.441 238 R N 0.307 120.867 120.500 0.100 0.000 2.105 238 R HA -0.135 4.205 4.340 0.001 0.000 0.239 238 R C 1.953 178.305 176.300 0.088 0.000 1.135 238 R CA 1.658 57.794 56.100 0.060 0.000 0.967 238 R CB -0.353 29.978 30.300 0.052 0.000 0.861 238 R HN 0.326 nan 8.270 nan 0.000 0.442 239 A N 0.875 123.804 122.820 0.181 0.000 1.877 239 A HA -0.102 4.218 4.320 0.001 0.000 0.216 239 A C 2.422 180.068 177.584 0.104 0.000 1.186 239 A CA 1.701 53.868 52.037 0.217 0.000 0.620 239 A CB -0.897 18.345 19.000 0.403 0.000 0.822 239 A HN 0.554 nan 8.150 nan 0.000 0.443 240 A N -0.069 122.777 122.820 0.044 0.000 1.917 240 A HA -0.231 4.090 4.320 0.001 0.000 0.219 240 A C 1.928 179.376 177.584 -0.226 0.000 1.182 240 A CA 1.826 53.645 52.037 -0.363 0.000 0.633 240 A CB -0.627 18.168 19.000 -0.343 0.000 0.819 240 A HN 0.674 nan 8.150 nan 0.000 0.448 241 E N -0.327 119.807 120.200 -0.111 0.000 2.017 241 E HA -0.175 4.176 4.350 0.001 0.000 0.193 241 E C 1.966 178.530 176.600 -0.060 0.000 0.997 241 E CA 1.371 57.713 56.400 -0.096 0.000 0.804 241 E CB -0.385 29.274 29.700 -0.070 0.000 0.757 241 E HN 0.686 nan 8.360 nan 0.000 0.448 242 I N 0.962 121.520 120.570 -0.019 0.000 2.264 242 I HA -0.288 3.882 4.170 0.001 0.000 0.248 242 I C 2.501 178.628 176.117 0.017 0.000 1.111 242 I CA 1.161 62.468 61.300 0.012 0.000 1.382 242 I CB -0.281 37.742 38.000 0.039 0.000 1.060 242 I HN 0.051 nan 8.210 nan 0.000 0.418 243 R N 0.412 120.903 120.500 -0.015 0.000 2.189 243 R HA -0.080 4.260 4.340 0.001 0.000 0.223 243 R C 2.273 178.580 176.300 0.011 0.000 1.092 243 R CA 1.211 57.305 56.100 -0.009 0.000 0.989 243 R CB -0.198 30.043 30.300 -0.098 0.000 0.876 243 R HN 0.389 nan 8.270 nan 0.000 0.457 244 A N 0.717 123.514 122.820 -0.039 0.000 1.911 244 A HA -0.044 4.277 4.320 0.001 0.000 0.212 244 A C 1.951 179.583 177.584 0.081 0.000 1.189 244 A CA 0.285 52.310 52.037 -0.021 0.000 0.639 244 A CB -0.209 18.712 19.000 -0.132 0.000 0.839 244 A HN 0.219 nan 8.150 nan 0.000 0.449 245 L N 0.249 121.497 121.223 0.042 0.000 2.083 245 L HA -0.147 4.194 4.340 0.001 0.000 0.209 245 L C 1.383 178.318 176.870 0.109 0.000 1.083 245 L CA 2.571 57.446 54.840 0.059 0.000 0.752 245 L CB -0.618 41.456 42.059 0.026 0.000 0.899 245 L HN 0.288 nan 8.230 nan 0.000 0.433 246 D N -1.375 119.090 120.400 0.108 0.000 2.144 246 D HA -0.214 4.426 4.640 0.001 0.000 0.200 246 D C 1.726 178.110 176.300 0.141 0.000 0.978 246 D CA 1.301 55.365 54.000 0.107 0.000 0.833 246 D CB -0.443 40.409 40.800 0.087 0.000 0.961 246 D HN 0.573 nan 8.370 nan 0.000 0.470 247 W N 1.246 122.555 121.300 0.015 0.000 2.363 247 W HA -0.084 4.576 4.660 0.001 0.000 0.296 247 W C 1.875 178.446 176.519 0.087 0.000 1.212 247 W CA 1.092 58.451 57.345 0.023 0.000 1.260 247 W CB -0.186 29.266 29.460 -0.013 0.000 1.131 247 W HN -0.073 nan 8.180 nan 0.000 0.530 248 L N -0.243 121.215 121.223 0.392 0.000 2.027 248 L HA -0.224 4.117 4.340 0.001 0.000 0.206 248 L C 2.459 179.595 176.870 0.444 0.000 1.074 248 L CA 1.185 56.287 54.840 0.436 0.000 0.745 248 L CB -1.073 41.148 42.059 0.270 0.000 0.898 248 L HN 0.012 nan 8.230 nan 0.000 0.433 249 L N -0.419 120.964 121.223 0.266 0.000 2.127 249 L HA -0.224 4.116 4.340 0.001 0.000 0.211 249 L C 2.397 179.313 176.870 0.076 0.000 1.089 249 L CA 1.263 56.220 54.840 0.195 0.000 0.757 249 L CB -0.476 41.656 42.059 0.121 0.000 0.899 249 L HN 0.308 nan 8.230 nan 0.000 0.434 250 E N -0.158 120.030 120.200 -0.020 0.000 2.204 250 E HA -0.152 4.199 4.350 0.001 0.000 0.194 250 E C 1.991 178.467 176.600 -0.206 0.000 0.989 250 E CA 0.757 57.071 56.400 -0.143 0.000 0.824 250 E CB 0.145 29.685 29.700 -0.267 0.000 0.756 250 E HN 0.421 nan 8.360 nan 0.000 0.477 251 R N 0.382 120.765 120.500 -0.195 0.000 2.397 251 R HA 0.088 4.429 4.340 0.001 0.000 0.241 251 R C 0.389 176.685 176.300 -0.006 0.000 0.914 251 R CA -0.198 55.843 56.100 -0.099 0.000 1.071 251 R CB 0.281 30.369 30.300 -0.353 0.000 1.116 251 R HN 0.085 nan 8.270 nan 0.000 0.524 252 Q N 1.783 121.400 119.800 -0.303 0.000 2.308 252 Q HA 0.009 4.350 4.340 0.001 0.000 0.313 252 Q C -0.376 175.290 176.000 -0.556 0.000 1.075 252 Q CA -0.141 55.079 55.803 -0.971 0.000 0.995 252 Q CB 0.660 28.814 28.738 -0.973 0.000 1.107 252 Q HN 0.221 nan 8.270 nan 0.000 0.380 253 A N 3.684 126.154 122.820 -0.583 0.000 2.366 253 A HA 0.327 4.647 4.320 0.001 0.000 0.250 253 A C 1.199 178.573 177.584 -0.349 0.000 1.099 253 A CA 0.184 51.996 52.037 -0.375 0.000 0.794 253 A CB -0.092 18.738 19.000 -0.283 0.000 1.056 253 A HN 1.045 nan 8.150 nan 0.000 0.499 254 G N -0.200 108.442 108.800 -0.264 0.000 2.418 254 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 254 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 254 G C 0.684 175.485 174.900 -0.166 0.000 1.158 254 G CA 1.334 46.312 45.100 -0.203 0.000 0.771 254 G HN 0.892 nan 8.290 nan 0.000 0.545 255 D N -0.715 119.596 120.400 -0.149 0.000 2.363 255 D HA 0.259 4.900 4.640 0.001 0.000 0.226 255 D C 1.710 177.927 176.300 -0.138 0.000 1.020 255 D CA 0.785 54.739 54.000 -0.076 0.000 0.892 255 D CB -0.475 40.353 40.800 0.047 0.000 0.900 255 D HN 0.505 nan 8.370 nan 0.000 0.531 256 G N -0.422 108.205 108.800 -0.289 0.000 2.175 256 G HA2 -0.300 3.661 3.960 0.001 0.000 0.244 256 G HA3 -0.300 3.661 3.960 0.001 0.000 0.244 256 G C 0.572 175.036 174.900 -0.727 0.000 0.982 256 G CA 0.497 45.388 45.100 -0.348 0.000 0.641 256 G HN 0.809 nan 8.290 nan 0.000 0.527 257 S N -1.035 114.014 115.700 -1.084 0.000 2.607 257 S HA 0.739 5.210 4.470 0.001 0.000 0.272 257 S C -0.144 173.935 174.600 -0.869 0.000 1.166 257 S CA -0.470 56.663 58.200 -1.777 0.000 1.021 257 S CB 1.271 63.417 63.200 -1.756 0.000 1.113 257 S HN 0.649 nan 8.310 nan 0.000 0.531 258 W N -0.045 120.969 121.300 -0.476 0.000 2.664 258 W HA 0.470 5.130 4.660 0.001 0.000 0.314 258 W C 0.699 177.223 176.519 0.008 0.000 1.010 258 W CA -0.071 57.223 57.345 -0.086 0.000 1.306 258 W CB 1.104 30.593 29.460 0.048 0.000 1.254 258 W HN 1.309 nan 8.180 nan 0.000 0.404 259 G N 1.412 110.333 108.800 0.202 0.000 2.212 259 G HA2 -0.250 3.710 3.960 0.001 0.000 0.266 259 G HA3 -0.250 3.710 3.960 0.001 0.000 0.266 259 G C 1.029 176.016 174.900 0.145 0.000 0.978 259 G CA 0.603 45.767 45.100 0.105 0.000 0.632 259 G HN 1.624 nan 8.290 nan 0.000 0.537 260 G N -0.448 108.428 108.800 0.127 0.000 2.179 260 G HA2 -0.086 3.875 3.960 0.001 0.000 0.257 260 G HA3 -0.086 3.875 3.960 0.001 0.000 0.257 260 G C 0.409 175.518 174.900 0.348 0.000 1.010 260 G CA 1.157 46.389 45.100 0.220 0.000 0.736 260 G HN 2.205 nan 8.290 nan 0.000 0.513 261 I N -4.602 116.152 120.570 0.307 0.000 2.740 261 I HA 0.588 4.758 4.170 0.001 0.000 0.303 261 I C 1.145 177.474 176.117 0.354 0.000 1.044 261 I CA -1.200 60.286 61.300 0.310 0.000 1.064 261 I CB 1.635 39.761 38.000 0.209 0.000 1.249 261 I HN -0.043 nan 8.210 nan 0.000 0.433 262 Q N 3.320 123.266 119.800 0.244 0.000 2.014 262 Q HA -0.110 4.230 4.340 0.001 0.000 0.207 262 Q C -0.957 174.938 176.000 -0.174 0.000 0.993 262 Q CA 2.725 58.540 55.803 0.021 0.000 0.850 262 Q CB -1.341 27.263 28.738 -0.223 0.000 0.916 262 Q HN 0.680 nan 8.270 nan 0.000 0.417 263 P HA -0.174 nan 4.420 nan 0.000 0.209 263 P C -1.551 175.717 177.300 -0.055 0.000 1.167 263 P CA 2.773 65.727 63.100 -0.243 0.000 0.941 263 P CB -1.373 30.296 31.700 -0.052 0.000 0.787 264 P HA -0.226 nan 4.420 nan 0.000 0.216 264 P C 1.559 179.014 177.300 0.258 0.000 1.150 264 P CA 1.549 64.811 63.100 0.269 0.000 0.837 264 P CB -0.576 31.284 31.700 0.266 0.000 0.786 265 W N 0.929 122.334 121.300 0.176 0.000 2.315 265 W HA -0.205 4.456 4.660 0.001 0.000 0.323 265 W C 2.135 178.753 176.519 0.166 0.000 1.233 265 W CA 1.086 58.606 57.345 0.293 0.000 1.267 265 W CB -1.711 27.960 29.460 0.353 0.000 1.160 265 W HN -0.156 nan 8.180 nan 0.000 0.474 266 F N -0.445 119.487 119.950 -0.030 0.000 2.126 266 F HA -0.238 4.290 4.527 0.001 0.000 0.299 266 F C 2.314 177.990 175.800 -0.207 0.000 1.096 266 F CA 1.863 59.717 58.000 -0.243 0.000 1.255 266 F CB -1.641 37.130 39.000 -0.381 0.000 0.997 266 F HN -0.130 nan 8.300 nan 0.000 0.479 267 Y N -0.399 120.012 120.300 0.185 0.000 2.200 267 Y HA -0.032 4.518 4.550 0.001 0.000 0.290 267 Y C 2.510 178.357 175.900 -0.089 0.000 1.137 267 Y CA 0.517 58.621 58.100 0.007 0.000 1.163 267 Y CB -1.531 36.917 38.460 -0.020 0.000 0.988 267 Y HN 0.010 nan 8.280 nan 0.000 0.518 268 A N 0.065 122.835 122.820 -0.083 0.000 1.940 268 A HA -0.158 4.163 4.320 0.001 0.000 0.219 268 A C 2.320 179.743 177.584 -0.268 0.000 1.176 268 A CA 1.509 53.287 52.037 -0.432 0.000 0.631 268 A CB -1.105 17.101 19.000 -1.324 0.000 0.814 268 A HN 0.483 nan 8.150 nan 0.000 0.446 269 L N -0.671 120.490 121.223 -0.103 0.000 2.056 269 L HA -0.153 4.188 4.340 0.001 0.000 0.207 269 L C 2.450 179.380 176.870 0.101 0.000 1.078 269 L CA 1.193 56.035 54.840 0.004 0.000 0.749 269 L CB -0.349 41.686 42.059 -0.040 0.000 0.901 269 L HN 0.409 nan 8.230 nan 0.000 0.433 270 I N -0.566 120.042 120.570 0.062 0.000 2.252 270 I HA -0.261 3.910 4.170 0.001 0.000 0.245 270 I C 2.771 178.945 176.117 0.094 0.000 1.102 270 I CA 1.032 62.378 61.300 0.077 0.000 1.385 270 I CB -0.506 37.544 38.000 0.085 0.000 1.064 270 I HN 0.192 nan 8.210 nan 0.000 0.414 271 A N 1.159 124.013 122.820 0.056 0.000 1.908 271 A HA -0.185 4.135 4.320 0.001 0.000 0.218 271 A C 2.317 179.926 177.584 0.042 0.000 1.181 271 A CA 1.541 53.592 52.037 0.022 0.000 0.627 271 A CB -0.894 18.083 19.000 -0.038 0.000 0.818 271 A HN 0.391 nan 8.150 nan 0.000 0.445 272 L N -0.969 120.304 121.223 0.083 0.000 2.093 272 L HA -0.183 4.158 4.340 0.001 0.000 0.208 272 L C 2.600 179.543 176.870 0.122 0.000 1.085 272 L CA 1.735 56.661 54.840 0.143 0.000 0.755 272 L CB -0.345 41.904 42.059 0.318 0.000 0.904 272 L HN 0.399 nan 8.230 nan 0.000 0.435 273 K N 0.842 121.333 120.400 0.151 0.000 2.057 273 K HA -0.165 4.155 4.320 0.001 0.000 0.207 273 K C 1.889 178.510 176.600 0.035 0.000 1.049 273 K CA 1.504 57.807 56.287 0.026 0.000 0.931 273 K CB -0.229 32.284 32.500 0.022 0.000 0.714 273 K HN 0.026 nan 8.250 nan 0.000 0.440 274 I N 1.134 121.757 120.570 0.088 0.000 2.208 274 I HA -0.220 3.950 4.170 0.001 0.000 0.245 274 I C 1.694 177.826 176.117 0.026 0.000 1.097 274 I CA 1.287 62.639 61.300 0.085 0.000 1.363 274 I CB -0.826 37.212 38.000 0.063 0.000 1.051 274 I HN 0.197 nan 8.210 nan 0.000 0.413 275 L N 0.429 121.660 121.223 0.013 0.000 2.660 275 L HA -0.015 4.325 4.340 0.001 0.000 0.238 275 L C -0.101 176.765 176.870 -0.008 0.000 1.161 275 L CA 0.096 54.935 54.840 -0.002 0.000 0.937 275 L CB -0.844 41.214 42.059 -0.001 0.000 1.122 275 L HN 0.234 nan 8.230 nan 0.000 0.435 276 D N 0.197 120.584 120.400 -0.022 0.000 2.708 276 D HA -0.233 4.408 4.640 0.001 0.000 0.236 276 D C 0.562 176.832 176.300 -0.050 0.000 1.146 276 D CA 1.057 55.029 54.000 -0.046 0.000 0.662 276 D CB -0.640 40.144 40.800 -0.028 0.000 1.059 276 D HN 0.330 nan 8.370 nan 0.000 0.428 277 M N -0.699 118.865 119.600 -0.060 0.000 2.778 277 M HA 0.104 4.585 4.480 0.001 0.000 0.359 277 M C 1.465 177.701 176.300 -0.108 0.000 1.216 277 M CA -0.009 55.286 55.300 -0.007 0.000 0.935 277 M CB 0.401 33.027 32.600 0.043 0.000 1.330 277 M HN 0.092 nan 8.290 nan 0.000 0.516 278 T N -2.823 111.495 114.554 -0.395 0.000 3.072 278 T HA -0.010 4.341 4.350 0.001 0.000 0.266 278 T C 1.490 175.967 174.700 -0.373 0.000 1.127 278 T CA 0.717 62.259 62.100 -0.930 0.000 1.107 278 T CB 0.019 68.311 68.868 -0.961 0.000 0.910 278 T HN 0.354 nan 8.240 nan 0.000 0.513 279 Q N 0.189 119.914 119.800 -0.126 0.000 2.360 279 Q HA 0.121 4.461 4.340 0.001 0.000 0.202 279 Q C 0.217 176.267 176.000 0.082 0.000 0.915 279 Q CA 0.077 55.871 55.803 -0.016 0.000 0.943 279 Q CB 0.101 28.824 28.738 -0.025 0.000 1.064 279 Q HN 0.664 nan 8.270 nan 0.000 0.511 280 H N 1.021 120.126 119.070 0.059 0.000 2.511 280 H HA 0.104 4.661 4.556 0.001 0.000 0.346 280 H C -1.794 173.644 175.328 0.183 0.000 1.128 280 H CA -1.832 54.287 56.048 0.119 0.000 1.342 280 H CB 1.817 31.660 29.762 0.136 0.000 1.470 280 H HN -0.218 nan 8.280 nan 0.000 0.546 281 P HA -0.177 nan 4.420 nan 0.000 0.214 281 P C 1.175 178.701 177.300 0.376 0.000 1.163 281 P CA 2.544 65.750 63.100 0.177 0.000 0.889 281 P CB -0.081 31.622 31.700 0.006 0.000 0.790 282 A N -1.345 121.843 122.820 0.614 0.000 1.927 282 A HA -0.260 4.061 4.320 0.001 0.000 0.220 282 A C 2.172 180.007 177.584 0.419 0.000 1.185 282 A CA 1.899 54.178 52.037 0.404 0.000 0.639 282 A CB -1.857 17.335 19.000 0.321 0.000 0.820 282 A HN 0.182 nan 8.150 nan 0.000 0.451 283 F N 0.628 120.789 119.950 0.351 0.000 2.084 283 F HA -0.119 4.409 4.527 0.001 0.000 0.296 283 F C 2.029 178.027 175.800 0.329 0.000 1.111 283 F CA 1.418 59.611 58.000 0.322 0.000 1.224 283 F CB -0.159 38.972 39.000 0.218 0.000 0.991 283 F HN 0.135 nan 8.300 nan 0.000 0.471 284 I N 0.847 121.760 120.570 0.573 0.000 2.118 284 I HA -0.308 3.863 4.170 0.001 0.000 0.241 284 I C 2.355 178.659 176.117 0.311 0.000 1.070 284 I CA 1.683 63.248 61.300 0.442 0.000 1.327 284 I CB -1.595 36.598 38.000 0.322 0.000 1.034 284 I HN 0.170 nan 8.210 nan 0.000 0.405 285 K N 1.305 121.848 120.400 0.238 0.000 2.147 285 K HA -0.087 4.234 4.320 0.001 0.000 0.205 285 K C 2.063 178.764 176.600 0.169 0.000 1.049 285 K CA 1.512 57.895 56.287 0.159 0.000 0.936 285 K CB -0.739 31.810 32.500 0.082 0.000 0.722 285 K HN 0.320 nan 8.250 nan 0.000 0.446 286 G N 0.141 109.066 108.800 0.208 0.000 2.394 286 G HA2 -0.242 3.719 3.960 0.001 0.000 0.215 286 G HA3 -0.242 3.719 3.960 0.001 0.000 0.215 286 G C 1.383 176.544 174.900 0.434 0.000 1.165 286 G CA 0.566 45.885 45.100 0.364 0.000 0.784 286 G HN 0.507 nan 8.290 nan 0.000 0.535 287 W N 1.594 122.882 121.300 -0.019 0.000 2.379 287 W HA -0.040 4.620 4.660 0.001 0.000 0.307 287 W C 2.048 178.628 176.519 0.101 0.000 1.200 287 W CA 1.464 58.761 57.345 -0.081 0.000 1.297 287 W CB -0.003 29.346 29.460 -0.185 0.000 1.140 287 W HN 0.364 nan 8.180 nan 0.000 0.507 288 E N -0.057 120.198 120.200 0.093 0.000 2.077 288 E HA -0.149 4.202 4.350 0.001 0.000 0.193 288 E C 2.407 179.055 176.600 0.081 0.000 0.989 288 E CA 1.254 57.672 56.400 0.029 0.000 0.800 288 E CB -0.846 28.947 29.700 0.155 0.000 0.746 288 E HN 0.352 nan 8.360 nan 0.000 0.452 289 G N 1.696 110.643 108.800 0.245 0.000 2.485 289 G HA2 -0.260 3.700 3.960 0.001 0.000 0.221 289 G HA3 -0.260 3.700 3.960 0.001 0.000 0.221 289 G C 1.581 176.849 174.900 0.614 0.000 1.115 289 G CA 0.524 45.882 45.100 0.431 0.000 0.751 289 G HN 0.100 nan 8.290 nan 0.000 0.567 290 L N 0.169 121.599 121.223 0.345 0.000 2.021 290 L HA -0.167 4.173 4.340 0.001 0.000 0.215 290 L C 2.931 179.966 176.870 0.275 0.000 1.074 290 L CA 1.428 56.323 54.840 0.092 0.000 0.760 290 L CB -0.381 41.515 42.059 -0.272 0.000 0.889 290 L HN 0.158 nan 8.230 nan 0.000 0.433 291 E N -0.081 120.218 120.200 0.166 0.000 2.147 291 E HA -0.276 4.075 4.350 0.001 0.000 0.199 291 E C 2.110 178.838 176.600 0.213 0.000 1.005 291 E CA 1.290 57.803 56.400 0.188 0.000 0.810 291 E CB -0.449 29.318 29.700 0.111 0.000 0.736 291 E HN 0.349 nan 8.360 nan 0.000 0.460 292 L N -0.138 121.256 121.223 0.284 0.000 2.191 292 L HA -0.169 4.172 4.340 0.001 0.000 0.212 292 L C 1.774 178.735 176.870 0.152 0.000 1.103 292 L CA 1.480 56.472 54.840 0.254 0.000 0.769 292 L CB -0.313 41.919 42.059 0.288 0.000 0.908 292 L HN 0.044 nan 8.230 nan 0.000 0.438 293 Y N -0.499 119.782 120.300 -0.032 0.000 2.517 293 Y HA 0.325 4.875 4.550 0.001 0.000 0.281 293 Y C 1.794 177.306 175.900 -0.647 0.000 1.125 293 Y CA -0.105 57.771 58.100 -0.374 0.000 1.283 293 Y CB -0.877 37.095 38.460 -0.813 0.000 1.042 293 Y HN 0.148 nan 8.280 nan 0.000 0.547 294 G N 0.232 108.858 108.800 -0.291 0.000 2.636 294 G HA2 0.415 4.376 3.960 0.001 0.000 0.246 294 G HA3 0.415 4.376 3.960 0.001 0.000 0.246 294 G C -1.079 173.500 174.900 -0.535 0.000 1.216 294 G CA -0.094 44.711 45.100 -0.491 0.000 0.854 294 G HN -0.072 nan 8.290 nan 0.000 0.572 295 V N 0.971 120.361 119.914 -0.874 0.000 2.711 295 V HA 0.257 4.378 4.120 0.001 0.000 0.304 295 V C -0.864 174.958 176.094 -0.453 0.000 1.097 295 V CA -0.992 60.974 62.300 -0.556 0.000 0.906 295 V CB 2.009 33.505 31.823 -0.544 0.000 1.015 295 V HN 0.729 nan 8.190 nan 0.000 0.427 296 E N 4.417 124.492 120.200 -0.208 0.000 2.194 296 E HA 0.460 4.811 4.350 0.001 0.000 0.284 296 E C -0.796 175.674 176.600 -0.217 0.000 1.035 296 E CA -0.205 56.129 56.400 -0.110 0.000 0.836 296 E CB 1.831 31.507 29.700 -0.039 0.000 1.070 296 E HN 0.478 nan 8.360 nan 0.000 0.401 297 L N 2.523 123.569 121.223 -0.294 0.000 2.334 297 L HA 0.104 4.445 4.340 0.001 0.000 0.277 297 L C 1.522 178.151 176.870 -0.402 0.000 1.075 297 L CA -0.537 54.036 54.840 -0.444 0.000 0.804 297 L CB 0.859 42.448 42.059 -0.783 0.000 1.174 297 L HN 0.462 nan 8.230 nan 0.000 0.438 298 D N 0.590 120.809 120.400 -0.302 0.000 2.123 298 D HA -0.322 4.319 4.640 0.001 0.000 0.196 298 D C 1.436 177.678 176.300 -0.096 0.000 0.992 298 D CA 1.632 55.542 54.000 -0.150 0.000 0.833 298 D CB -0.461 40.303 40.800 -0.060 0.000 0.954 298 D HN 0.616 nan 8.370 nan 0.000 0.455 299 Y N -1.238 119.046 120.300 -0.027 0.000 2.542 299 Y HA 0.390 4.941 4.550 0.001 0.000 0.326 299 Y C 1.605 177.516 175.900 0.019 0.000 1.218 299 Y CA -0.616 57.480 58.100 -0.007 0.000 1.277 299 Y CB -0.767 37.674 38.460 -0.032 0.000 1.064 299 Y HN 0.145 nan 8.280 nan 0.000 0.499 300 G N -0.952 107.838 108.800 -0.017 0.000 2.141 300 G HA2 -0.160 3.801 3.960 0.001 0.000 0.242 300 G HA3 -0.160 3.801 3.960 0.001 0.000 0.242 300 G C 0.454 175.390 174.900 0.060 0.000 0.982 300 G CA -0.150 44.980 45.100 0.049 0.000 0.662 300 G HN 1.020 nan 8.290 nan 0.000 0.527 301 G N -1.409 107.318 108.800 -0.121 0.000 2.509 301 G HA2 0.587 4.548 3.960 0.001 0.000 0.328 301 G HA3 0.587 4.548 3.960 0.001 0.000 0.328 301 G C -0.912 173.985 174.900 -0.005 0.000 1.194 301 G CA -0.605 44.522 45.100 0.045 0.000 0.967 301 G HN 0.870 nan 8.290 nan 0.000 0.488 302 W N 1.534 122.742 121.300 -0.153 0.000 2.839 302 W HA 0.670 5.331 4.660 0.001 0.000 0.334 302 W C -0.362 175.887 176.519 -0.451 0.000 1.064 302 W CA -1.089 56.102 57.345 -0.256 0.000 1.236 302 W CB 1.811 31.166 29.460 -0.175 0.000 1.405 302 W HN 0.670 nan 8.180 nan 0.000 0.478 303 M N 5.265 124.195 119.600 -1.118 0.000 2.644 303 M HA 0.668 5.148 4.480 0.001 0.000 0.304 303 M C -2.110 173.314 176.300 -1.460 0.000 1.215 303 M CA -0.843 53.707 55.300 -1.250 0.000 0.871 303 M CB 2.759 34.728 32.600 -1.051 0.000 1.740 303 M HN 0.439 nan 8.290 nan 0.000 0.464 304 F N 1.749 121.042 119.950 -1.094 0.000 2.444 304 F HA 0.474 5.002 4.527 0.001 0.000 0.342 304 F C -0.549 175.052 175.800 -0.331 0.000 1.121 304 F CA -0.251 57.291 58.000 -0.765 0.000 0.997 304 F CB 1.806 40.532 39.000 -0.457 0.000 1.130 304 F HN 0.694 nan 8.300 nan 0.000 0.454 305 Q N 4.541 124.039 119.800 -0.502 0.000 2.314 305 Q HA 0.357 4.698 4.340 0.001 0.000 0.258 305 Q C 0.886 176.977 176.000 0.151 0.000 0.954 305 Q CA 0.131 55.842 55.803 -0.153 0.000 0.890 305 Q CB 1.588 30.229 28.738 -0.162 0.000 1.210 305 Q HN 0.914 nan 8.270 nan 0.000 0.410 306 A N 2.326 125.270 122.820 0.207 0.000 2.019 306 A HA -0.060 4.260 4.320 0.001 0.000 0.219 306 A C 0.926 178.709 177.584 0.333 0.000 1.164 306 A CA 1.483 53.691 52.037 0.286 0.000 0.644 306 A CB 0.248 19.441 19.000 0.321 0.000 0.805 306 A HN 0.584 nan 8.150 nan 0.000 0.449 307 S N -2.488 113.413 115.700 0.334 0.000 2.643 307 S HA 0.528 4.999 4.470 0.001 0.000 0.266 307 S C -1.433 173.338 174.600 0.285 0.000 1.130 307 S CA -0.198 58.273 58.200 0.452 0.000 0.817 307 S CB 0.331 63.795 63.200 0.439 0.000 1.107 307 S HN 0.856 nan 8.310 nan 0.000 0.471 308 I N 0.534 121.210 120.570 0.177 0.000 2.646 308 I HA 0.758 4.928 4.170 0.001 0.000 0.299 308 I C 0.035 175.843 176.117 -0.516 0.000 1.036 308 I CA -0.733 60.521 61.300 -0.076 0.000 1.074 308 I CB 2.408 40.238 38.000 -0.283 0.000 1.258 308 I HN 0.597 nan 8.210 nan 0.000 0.430 309 S N 2.224 117.609 115.700 -0.526 0.000 2.711 309 S HA 0.387 4.858 4.470 0.001 0.000 0.247 309 S C -1.545 172.749 174.600 -0.509 0.000 1.079 309 S CA -0.911 56.693 58.200 -0.993 0.000 1.050 309 S CB -0.432 62.454 63.200 -0.525 0.000 0.885 309 S HN 0.677 nan 8.310 nan 0.000 0.498 310 P HA -0.183 nan 4.420 nan 0.000 0.214 310 P C 1.573 178.770 177.300 -0.173 0.000 1.169 310 P CA 1.217 63.932 63.100 -0.642 0.000 0.908 310 P CB -0.128 30.609 31.700 -1.605 0.000 0.791 311 V N -0.077 119.793 119.914 -0.074 0.000 2.233 311 V HA -0.229 3.892 4.120 0.001 0.000 0.247 311 V C 2.596 178.804 176.094 0.191 0.000 1.050 311 V CA 2.211 64.637 62.300 0.210 0.000 1.010 311 V CB -1.678 30.264 31.823 0.197 0.000 0.637 311 V HN 0.231 nan 8.190 nan 0.000 0.444 312 W N 1.073 122.361 121.300 -0.020 0.000 2.318 312 W HA -0.246 4.415 4.660 0.001 0.000 0.313 312 W C 2.303 178.858 176.519 0.059 0.000 1.221 312 W CA 2.220 59.620 57.345 0.091 0.000 1.266 312 W CB -0.251 29.394 29.460 0.308 0.000 1.150 312 W HN 0.368 nan 8.180 nan 0.000 0.496 313 D N -0.300 120.172 120.400 0.120 0.000 2.084 313 D HA -0.170 4.471 4.640 0.001 0.000 0.194 313 D C 2.078 178.334 176.300 -0.073 0.000 0.990 313 D CA 2.420 56.435 54.000 0.024 0.000 0.826 313 D CB -0.813 40.100 40.800 0.189 0.000 0.971 313 D HN 0.105 nan 8.370 nan 0.000 0.453 314 T N 0.453 115.055 114.554 0.079 0.000 2.635 314 T HA -0.151 4.200 4.350 0.001 0.000 0.267 314 T C 1.977 176.643 174.700 -0.057 0.000 1.040 314 T CA 1.755 63.959 62.100 0.174 0.000 1.156 314 T CB -0.833 68.158 68.868 0.205 0.000 0.863 314 T HN 0.279 nan 8.240 nan 0.000 0.430 315 G N 1.433 110.155 108.800 -0.131 0.000 2.491 315 G HA2 -0.203 3.757 3.960 0.001 0.000 0.218 315 G HA3 -0.203 3.757 3.960 0.001 0.000 0.218 315 G C 1.516 176.104 174.900 -0.519 0.000 1.180 315 G CA 0.875 45.795 45.100 -0.301 0.000 0.774 315 G HN 0.464 nan 8.290 nan 0.000 0.562 316 L N 0.685 121.507 121.223 -0.668 0.000 2.046 316 L HA -0.047 4.294 4.340 0.001 0.000 0.208 316 L C 3.468 179.908 176.870 -0.717 0.000 1.077 316 L CA 0.972 55.334 54.840 -0.797 0.000 0.747 316 L CB -0.561 40.929 42.059 -0.947 0.000 0.896 316 L HN 0.316 nan 8.230 nan 0.000 0.432 317 A N -0.047 122.341 122.820 -0.720 0.000 1.892 317 A HA -0.200 4.121 4.320 0.001 0.000 0.218 317 A C 2.375 179.477 177.584 -0.804 0.000 1.188 317 A CA 2.191 53.646 52.037 -0.970 0.000 0.631 317 A CB -0.983 16.991 19.000 -1.710 0.000 0.822 317 A HN 0.194 nan 8.150 nan 0.000 0.447 318 V N 0.034 119.596 119.914 -0.588 0.000 2.261 318 V HA -0.278 3.842 4.120 0.001 0.000 0.246 318 V C 2.586 178.444 176.094 -0.393 0.000 1.047 318 V CA 2.094 64.176 62.300 -0.364 0.000 1.015 318 V CB -0.769 30.931 31.823 -0.205 0.000 0.642 318 V HN 0.591 nan 8.190 nan 0.000 0.446 319 L N -0.181 120.735 121.223 -0.512 0.000 2.127 319 L HA -0.198 4.143 4.340 0.001 0.000 0.211 319 L C 2.649 179.266 176.870 -0.420 0.000 1.089 319 L CA 1.499 56.003 54.840 -0.560 0.000 0.757 319 L CB -0.780 40.764 42.059 -0.859 0.000 0.899 319 L HN 0.389 nan 8.230 nan 0.000 0.434 320 A N 0.292 122.846 122.820 -0.444 0.000 1.841 320 A HA -0.143 4.178 4.320 0.001 0.000 0.214 320 A C 2.212 179.648 177.584 -0.247 0.000 1.195 320 A CA 1.242 53.073 52.037 -0.344 0.000 0.611 320 A CB -0.793 17.964 19.000 -0.404 0.000 0.835 320 A HN 0.312 nan 8.150 nan 0.000 0.443 321 L N -0.898 120.157 121.223 -0.279 0.000 2.129 321 L HA -0.230 4.111 4.340 0.001 0.000 0.212 321 L C 2.920 179.710 176.870 -0.132 0.000 1.087 321 L CA 1.150 55.875 54.840 -0.192 0.000 0.757 321 L CB -0.487 41.441 42.059 -0.218 0.000 0.896 321 L HN 0.307 nan 8.230 nan 0.000 0.434 322 R N 0.046 120.457 120.500 -0.148 0.000 2.057 322 R HA -0.008 4.333 4.340 0.001 0.000 0.229 322 R C 2.287 178.551 176.300 -0.060 0.000 1.136 322 R CA 1.444 57.490 56.100 -0.091 0.000 0.952 322 R CB -0.962 29.276 30.300 -0.104 0.000 0.848 322 R HN 0.306 nan 8.270 nan 0.000 0.430 323 A N 0.845 123.617 122.820 -0.081 0.000 2.178 323 A HA -0.020 4.301 4.320 0.001 0.000 0.218 323 A C 2.037 179.607 177.584 -0.023 0.000 1.157 323 A CA 1.636 53.650 52.037 -0.039 0.000 0.689 323 A CB -0.307 18.666 19.000 -0.046 0.000 0.787 323 A HN 0.359 nan 8.150 nan 0.000 0.465 324 A N -2.555 120.243 122.820 -0.036 0.000 2.147 324 A HA 0.479 4.799 4.320 0.001 0.000 0.211 324 A C 1.656 179.251 177.584 0.019 0.000 1.160 324 A CA 1.472 53.506 52.037 -0.006 0.000 0.781 324 A CB -0.144 18.846 19.000 -0.017 0.000 0.842 324 A HN 1.470 nan 8.150 nan 0.000 0.475 325 G N -0.945 107.862 108.800 0.012 0.000 4.241 325 G HA2 -0.032 3.928 3.960 0.001 0.000 0.193 325 G HA3 -0.032 3.928 3.960 0.001 0.000 0.193 325 G C 0.081 175.007 174.900 0.044 0.000 1.789 325 G CA -0.318 44.803 45.100 0.035 0.000 1.025 325 G HN 0.307 nan 8.290 nan 0.000 0.346 326 L N 4.035 125.285 121.223 0.045 0.000 2.811 326 L HA 0.084 4.424 4.340 0.001 0.000 0.304 326 L C -1.280 175.649 176.870 0.099 0.000 1.227 326 L CA -0.293 54.605 54.840 0.097 0.000 0.880 326 L CB -0.283 41.759 42.059 -0.029 0.000 1.169 326 L HN 0.293 nan 8.230 nan 0.000 0.498 327 P HA -0.031 nan 4.420 nan 0.000 0.268 327 P C 0.273 177.634 177.300 0.102 0.000 1.205 327 P CA -0.095 63.066 63.100 0.101 0.000 0.771 327 P CB 0.926 32.676 31.700 0.084 0.000 0.858 328 A N 3.203 126.063 122.820 0.067 0.000 2.148 328 A HA -0.209 4.112 4.320 0.001 0.000 0.222 328 A C 1.157 178.785 177.584 0.074 0.000 1.161 328 A CA 2.160 54.233 52.037 0.059 0.000 0.662 328 A CB -1.157 17.872 19.000 0.048 0.000 0.799 328 A HN 0.681 nan 8.150 nan 0.000 0.466 329 D N -3.161 117.288 120.400 0.081 0.000 2.479 329 D HA 0.045 4.686 4.640 0.001 0.000 0.218 329 D C 0.500 176.859 176.300 0.097 0.000 1.177 329 D CA -0.525 53.520 54.000 0.076 0.000 0.830 329 D CB -0.666 40.162 40.800 0.046 0.000 1.014 329 D HN 0.384 nan 8.370 nan 0.000 0.503 330 H N 2.570 121.655 119.070 0.024 0.000 3.192 330 H HA -0.080 4.476 4.556 0.001 0.000 0.295 330 H C 1.157 176.499 175.328 0.023 0.000 0.943 330 H CA 0.948 57.010 56.048 0.023 0.000 1.416 330 H CB 0.761 30.540 29.762 0.028 0.000 1.434 330 H HN 0.298 nan 8.280 nan 0.000 0.565 331 D N 4.572 125.017 120.400 0.076 0.000 2.203 331 D HA -0.242 4.399 4.640 0.001 0.000 0.199 331 D C 1.743 178.151 176.300 0.181 0.000 0.997 331 D CA 0.946 55.005 54.000 0.099 0.000 0.863 331 D CB 0.065 40.870 40.800 0.008 0.000 0.928 331 D HN 0.356 nan 8.370 nan 0.000 0.458 332 R N 0.135 120.873 120.500 0.397 0.000 2.090 332 R HA 0.166 4.506 4.340 0.001 0.000 0.228 332 R C 2.549 178.897 176.300 0.080 0.000 1.110 332 R CA 0.566 56.769 56.100 0.171 0.000 0.973 332 R CB -0.454 29.919 30.300 0.122 0.000 0.869 332 R HN 0.274 nan 8.270 nan 0.000 0.440 333 L N -0.747 120.546 121.223 0.115 0.000 2.131 333 L HA -0.072 4.269 4.340 0.001 0.000 0.206 333 L C 2.055 178.989 176.870 0.107 0.000 1.087 333 L CA 0.632 55.533 54.840 0.102 0.000 0.767 333 L CB -0.369 41.729 42.059 0.066 0.000 0.917 333 L HN -0.006 nan 8.230 nan 0.000 0.441 334 V N 0.351 120.332 119.914 0.111 0.000 2.392 334 V HA -0.310 3.811 4.120 0.001 0.000 0.249 334 V C 2.570 178.719 176.094 0.092 0.000 1.059 334 V CA 1.902 64.259 62.300 0.095 0.000 1.051 334 V CB -0.554 31.319 31.823 0.083 0.000 0.658 334 V HN 0.374 nan 8.190 nan 0.000 0.455 335 K N 0.865 121.308 120.400 0.072 0.000 2.097 335 K HA -0.111 4.209 4.320 0.001 0.000 0.206 335 K C 2.033 178.693 176.600 0.099 0.000 1.049 335 K CA 1.708 58.028 56.287 0.055 0.000 0.933 335 K CB -0.574 31.917 32.500 -0.016 0.000 0.717 335 K HN 0.429 nan 8.250 nan 0.000 0.442 336 A N -0.174 122.701 122.820 0.091 0.000 1.872 336 A HA 0.069 4.390 4.320 0.001 0.000 0.214 336 A C 2.420 180.160 177.584 0.260 0.000 1.187 336 A CA 1.528 53.667 52.037 0.169 0.000 0.614 336 A CB -1.276 17.843 19.000 0.199 0.000 0.826 336 A HN 0.448 nan 8.150 nan 0.000 0.442 337 G N -0.226 108.681 108.800 0.178 0.000 2.469 337 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 337 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 337 G C 1.407 176.410 174.900 0.172 0.000 1.150 337 G CA 1.089 46.282 45.100 0.155 0.000 0.763 337 G HN 0.485 nan 8.290 nan 0.000 0.561 338 E N -0.280 120.020 120.200 0.167 0.000 2.077 338 E HA -0.148 4.202 4.350 0.001 0.000 0.193 338 E C 2.035 178.742 176.600 0.178 0.000 0.989 338 E CA 0.894 57.381 56.400 0.145 0.000 0.800 338 E CB -0.368 29.407 29.700 0.124 0.000 0.746 338 E HN 0.689 nan 8.360 nan 0.000 0.452 339 W N 1.659 122.996 121.300 0.062 0.000 2.355 339 W HA -0.143 4.517 4.660 0.001 0.000 0.309 339 W C 2.074 178.648 176.519 0.091 0.000 1.206 339 W CA 1.308 58.697 57.345 0.074 0.000 1.284 339 W CB -0.400 29.123 29.460 0.104 0.000 1.145 339 W HN -0.026 nan 8.180 nan 0.000 0.502 340 L N 0.161 121.573 121.223 0.315 0.000 2.131 340 L HA -0.251 4.090 4.340 0.001 0.000 0.210 340 L C 2.379 179.340 176.870 0.151 0.000 1.092 340 L CA 1.061 56.010 54.840 0.181 0.000 0.759 340 L CB -0.782 41.401 42.059 0.207 0.000 0.903 340 L HN 0.111 nan 8.230 nan 0.000 0.435 341 L N -0.807 120.484 121.223 0.113 0.000 2.072 341 L HA -0.182 4.158 4.340 0.001 0.000 0.205 341 L C 1.939 178.796 176.870 -0.022 0.000 1.079 341 L CA 0.972 55.873 54.840 0.103 0.000 0.752 341 L CB -0.540 41.567 42.059 0.079 0.000 0.906 341 L HN 0.271 nan 8.230 nan 0.000 0.436 342 D N -0.165 120.165 120.400 -0.117 0.000 2.378 342 D HA -0.103 4.538 4.640 0.001 0.000 0.222 342 D C 2.132 178.263 176.300 -0.282 0.000 0.980 342 D CA 0.571 54.452 54.000 -0.198 0.000 0.907 342 D CB 0.053 40.712 40.800 -0.235 0.000 0.899 342 D HN 0.212 nan 8.370 nan 0.000 0.527 343 R N 0.483 120.809 120.500 -0.291 0.000 2.173 343 R HA 0.051 4.391 4.340 0.001 0.000 0.208 343 R C 1.023 177.146 176.300 -0.294 0.000 1.035 343 R CA -0.047 55.877 56.100 -0.293 0.000 1.004 343 R CB -0.448 29.685 30.300 -0.279 0.000 0.917 343 R HN 0.326 nan 8.270 nan 0.000 0.462 344 Q N 1.225 120.769 119.800 -0.427 0.000 2.310 344 Q HA -0.040 4.301 4.340 0.001 0.000 0.315 344 Q C -0.594 175.062 176.000 -0.573 0.000 1.081 344 Q CA 0.529 55.754 55.803 -0.963 0.000 0.981 344 Q CB 0.386 28.666 28.738 -0.765 0.000 1.184 344 Q HN 0.126 nan 8.270 nan 0.000 0.389 345 I N 3.584 123.794 120.570 -0.599 0.000 2.331 345 I HA 0.117 4.287 4.170 0.001 0.000 0.292 345 I C 1.031 176.980 176.117 -0.280 0.000 0.998 345 I CA -0.293 60.790 61.300 -0.361 0.000 1.267 345 I CB 1.423 39.240 38.000 -0.305 0.000 1.386 345 I HN 0.814 nan 8.210 nan 0.000 0.476 346 T N 2.162 116.610 114.554 -0.176 0.000 3.092 346 T HA 0.235 4.586 4.350 0.001 0.000 0.258 346 T C 0.263 174.950 174.700 -0.022 0.000 1.031 346 T CA -0.288 61.753 62.100 -0.098 0.000 0.925 346 T CB -0.273 68.541 68.868 -0.089 0.000 1.036 346 T HN 0.390 nan 8.240 nan 0.000 0.544 347 V N -1.892 118.018 119.914 -0.006 0.000 3.096 347 V HA 0.812 4.933 4.120 0.001 0.000 0.319 347 V C -3.123 173.032 176.094 0.101 0.000 1.103 347 V CA -3.111 59.211 62.300 0.036 0.000 1.016 347 V CB 1.166 33.001 31.823 0.021 0.000 1.090 347 V HN -0.110 nan 8.190 nan 0.000 0.449 348 P HA 0.510 nan 4.420 nan 0.000 0.275 348 P C 0.024 177.153 177.300 -0.284 0.000 1.228 348 P CA 0.409 63.362 63.100 -0.244 0.000 0.786 348 P CB 1.059 32.578 31.700 -0.302 0.000 0.927 349 G N 0.659 109.016 108.800 -0.739 0.000 3.107 349 G HA2 0.162 4.122 3.960 0.001 0.000 0.232 349 G HA3 0.162 4.122 3.960 0.001 0.000 0.232 349 G C 0.167 174.681 174.900 -0.643 0.000 1.339 349 G CA -0.308 44.516 45.100 -0.460 0.000 1.033 349 G HN 0.267 nan 8.290 nan 0.000 0.567 350 D N -0.310 119.914 120.400 -0.293 0.000 2.312 350 D HA -0.050 4.591 4.640 0.001 0.000 0.211 350 D C 2.242 178.609 176.300 0.112 0.000 0.964 350 D CA 0.740 54.751 54.000 0.017 0.000 0.877 350 D CB -0.040 40.955 40.800 0.325 0.000 0.924 350 D HN 0.615 nan 8.370 nan 0.000 0.515 351 W N 0.887 122.348 121.300 0.269 0.000 2.402 351 W HA 0.086 4.747 4.660 0.001 0.000 0.286 351 W C 1.716 178.351 176.519 0.194 0.000 1.221 351 W CA 0.668 58.178 57.345 0.275 0.000 1.257 351 W CB -1.073 28.613 29.460 0.378 0.000 1.120 351 W HN -0.091 nan 8.180 nan 0.000 0.551 352 A N 1.554 124.050 122.820 -0.539 0.000 2.131 352 A HA -0.068 4.253 4.320 0.001 0.000 0.220 352 A C 2.117 179.625 177.584 -0.126 0.000 1.158 352 A CA 1.968 53.754 52.037 -0.418 0.000 0.665 352 A CB -0.869 17.667 19.000 -0.773 0.000 0.795 352 A HN 0.149 nan 8.150 nan 0.000 0.460 353 V N -0.390 119.461 119.914 -0.105 0.000 2.913 353 V HA -0.130 3.991 4.120 0.001 0.000 0.260 353 V C 1.740 177.812 176.094 -0.037 0.000 1.098 353 V CA 1.847 64.072 62.300 -0.125 0.000 1.121 353 V CB -0.431 31.233 31.823 -0.264 0.000 0.714 353 V HN 0.463 nan 8.190 nan 0.000 0.487 354 K N -0.450 119.988 120.400 0.063 0.000 2.438 354 K HA 0.320 4.640 4.320 0.001 0.000 0.206 354 K C 0.385 177.049 176.600 0.107 0.000 1.081 354 K CA -0.050 56.285 56.287 0.079 0.000 1.053 354 K CB 1.043 33.608 32.500 0.109 0.000 0.908 354 K HN 0.201 nan 8.250 nan 0.000 0.556 355 R N 0.445 121.039 120.500 0.157 0.000 2.570 355 R HA 0.183 4.523 4.340 0.001 0.000 0.246 355 R C -2.440 173.982 176.300 0.203 0.000 1.417 355 R CA -1.140 55.079 56.100 0.197 0.000 1.525 355 R CB 0.858 31.334 30.300 0.293 0.000 1.403 355 R HN -0.130 nan 8.270 nan 0.000 0.754 356 P HA -0.074 nan 4.420 nan 0.000 0.219 356 P C 0.366 177.716 177.300 0.084 0.000 1.146 356 P CA 1.274 64.402 63.100 0.046 0.000 0.808 356 P CB 0.209 31.913 31.700 0.007 0.000 0.779 357 N N -1.235 117.530 118.700 0.108 0.000 2.268 357 N HA 0.093 4.833 4.740 0.001 0.000 0.204 357 N C -0.202 175.405 175.510 0.162 0.000 1.124 357 N CA -0.435 52.681 53.050 0.110 0.000 0.838 357 N CB 0.112 38.646 38.487 0.078 0.000 0.994 357 N HN 0.064 nan 8.380 nan 0.000 0.489 358 L N 1.717 123.091 121.223 0.252 0.000 2.275 358 L HA 0.233 4.574 4.340 0.001 0.000 0.288 358 L C 0.101 177.227 176.870 0.427 0.000 1.046 358 L CA -0.400 54.635 54.840 0.325 0.000 0.805 358 L CB 0.784 43.069 42.059 0.377 0.000 1.193 358 L HN -0.139 nan 8.230 nan 0.000 0.426 359 K N 7.436 128.032 120.400 0.327 0.000 2.297 359 K HA 0.361 4.682 4.320 0.001 0.000 0.286 359 K C -2.310 174.514 176.600 0.373 0.000 1.053 359 K CA -1.618 54.852 56.287 0.306 0.000 0.940 359 K CB 0.744 33.356 32.500 0.186 0.000 1.019 359 K HN 0.454 nan 8.250 nan 0.000 0.475 360 P HA 0.054 nan 4.420 nan 0.000 0.268 360 P C -0.125 177.114 177.300 -0.102 0.000 1.204 360 P CA -0.015 63.189 63.100 0.173 0.000 0.768 360 P CB 0.901 32.784 31.700 0.306 0.000 0.842 361 G N 1.374 109.904 108.800 -0.449 0.000 5.181 361 G HA2 0.357 4.317 3.960 0.001 0.000 0.208 361 G HA3 0.357 4.317 3.960 0.001 0.000 0.208 361 G C 0.119 174.707 174.900 -0.521 0.000 0.786 361 G CA 0.086 44.980 45.100 -0.343 0.000 0.803 361 G HN 0.777 nan 8.290 nan 0.000 0.404 362 G N -0.355 107.844 108.800 -1.001 0.000 2.613 362 G HA2 0.732 4.693 3.960 0.001 0.000 0.303 362 G HA3 0.732 4.693 3.960 0.001 0.000 0.303 362 G C -1.055 173.463 174.900 -0.636 0.000 1.312 362 G CA -0.988 43.603 45.100 -0.847 0.000 1.036 362 G HN 0.073 nan 8.290 nan 0.000 0.513 363 F N -0.955 118.850 119.950 -0.241 0.000 2.593 363 F HA 0.739 5.267 4.527 0.001 0.000 0.320 363 F C 0.680 176.477 175.800 -0.005 0.000 1.060 363 F CA -0.768 57.173 58.000 -0.098 0.000 0.940 363 F CB 1.982 40.971 39.000 -0.018 0.000 1.268 363 F HN 0.661 nan 8.300 nan 0.000 0.475 364 A N 0.814 123.773 122.820 0.231 0.000 2.326 364 A HA 0.582 4.902 4.320 0.001 0.000 0.303 364 A C -0.003 177.773 177.584 0.320 0.000 1.164 364 A CA -0.200 51.994 52.037 0.262 0.000 0.929 364 A CB 0.216 19.338 19.000 0.203 0.000 1.363 364 A HN 0.778 nan 8.150 nan 0.000 0.498 365 F N -0.530 119.504 119.950 0.141 0.000 2.220 365 F HA 0.140 4.668 4.527 0.001 0.000 0.290 365 F C 1.255 177.064 175.800 0.015 0.000 1.080 365 F CA 1.073 59.134 58.000 0.103 0.000 1.318 365 F CB -0.340 38.708 39.000 0.080 0.000 1.063 365 F HN 0.587 nan 8.300 nan 0.000 0.498 366 Q N -0.574 119.262 119.800 0.060 0.000 2.335 366 Q HA 0.155 4.496 4.340 0.001 0.000 0.180 366 Q C 1.012 176.865 176.000 -0.245 0.000 1.101 366 Q CA 0.048 55.730 55.803 -0.202 0.000 1.165 366 Q CB -0.295 28.453 28.738 0.018 0.000 1.220 366 Q HN 0.164 nan 8.270 nan 0.000 0.626 367 F N -0.207 119.610 119.950 -0.221 0.000 2.053 367 F HA -0.013 4.515 4.527 0.001 0.000 0.292 367 F C 0.854 176.537 175.800 -0.195 0.000 1.125 367 F CA 1.255 59.109 58.000 -0.243 0.000 1.193 367 F CB 0.264 39.074 39.000 -0.317 0.000 0.996 367 F HN 0.392 nan 8.300 nan 0.000 0.470 368 D N -0.083 120.351 120.400 0.057 0.000 2.446 368 D HA 0.121 4.761 4.640 0.001 0.000 0.251 368 D C -1.358 174.901 176.300 -0.069 0.000 1.137 368 D CA 0.000 53.968 54.000 -0.055 0.000 0.890 368 D CB 0.207 40.950 40.800 -0.096 0.000 1.071 368 D HN 0.111 nan 8.370 nan 0.000 0.528 369 N N 3.921 122.584 118.700 -0.063 0.000 2.732 369 N HA 0.005 4.745 4.740 0.001 0.000 0.235 369 N C 0.928 176.395 175.510 -0.072 0.000 1.466 369 N CA -0.406 52.624 53.050 -0.033 0.000 0.751 369 N CB 0.660 39.218 38.487 0.119 0.000 1.317 369 N HN 0.115 nan 8.380 nan 0.000 0.525 370 V N -0.137 119.612 119.914 -0.275 0.000 2.594 370 V HA -0.058 4.062 4.120 0.001 0.000 0.253 370 V C 1.048 176.991 176.094 -0.251 0.000 1.069 370 V CA 1.253 63.363 62.300 -0.317 0.000 1.082 370 V CB -1.095 30.454 31.823 -0.456 0.000 0.680 370 V HN 0.329 nan 8.190 nan 0.000 0.469 371 Y N -0.604 119.601 120.300 -0.159 0.000 2.529 371 Y HA 0.339 4.889 4.550 0.001 0.000 0.290 371 Y C 0.560 176.088 175.900 -0.620 0.000 1.177 371 Y CA -0.711 57.136 58.100 -0.423 0.000 1.305 371 Y CB -0.584 37.478 38.460 -0.664 0.000 1.047 371 Y HN 0.409 nan 8.280 nan 0.000 0.522 372 Y N 0.364 120.856 120.300 0.321 0.000 2.501 372 Y HA 0.331 4.882 4.550 0.001 0.000 0.331 372 Y C -2.505 173.675 175.900 0.466 0.000 0.950 372 Y CA -3.481 54.859 58.100 0.401 0.000 1.120 372 Y CB 0.171 38.772 38.460 0.234 0.000 1.154 372 Y HN -0.090 nan 8.280 nan 0.000 0.630 373 P HA 0.105 nan 4.420 nan 0.000 0.271 373 P C -0.591 176.968 177.300 0.431 0.000 1.218 373 P CA 0.065 63.310 63.100 0.241 0.000 0.780 373 P CB 1.697 33.252 31.700 -0.242 0.000 0.901 374 D N -0.336 120.229 120.400 0.276 0.000 2.342 374 D HA 0.227 4.868 4.640 0.001 0.000 0.243 374 D C 0.917 177.326 176.300 0.182 0.000 1.019 374 D CA -1.027 53.003 54.000 0.051 0.000 0.864 374 D CB 0.950 41.442 40.800 -0.514 0.000 1.315 374 D HN -0.047 nan 8.370 nan 0.000 0.468 375 V N 0.964 120.963 119.914 0.141 0.000 2.407 375 V HA -0.211 3.909 4.120 0.001 0.000 0.248 375 V C 1.702 177.818 176.094 0.037 0.000 1.055 375 V CA 1.906 64.286 62.300 0.133 0.000 1.049 375 V CB -0.646 31.188 31.823 0.017 0.000 0.662 375 V HN 0.722 nan 8.190 nan 0.000 0.455 376 D N 0.106 120.483 120.400 -0.039 0.000 2.084 376 D HA -0.173 4.467 4.640 0.001 0.000 0.194 376 D C 2.014 178.447 176.300 0.222 0.000 0.990 376 D CA 1.431 55.452 54.000 0.036 0.000 0.826 376 D CB -0.209 40.481 40.800 -0.184 0.000 0.971 376 D HN 0.393 nan 8.370 nan 0.000 0.453 377 D N -0.557 119.970 120.400 0.212 0.000 2.084 377 D HA -0.116 4.525 4.640 0.001 0.000 0.194 377 D C 1.957 178.364 176.300 0.180 0.000 0.990 377 D CA 1.486 55.699 54.000 0.354 0.000 0.826 377 D CB -0.352 40.657 40.800 0.348 0.000 0.971 377 D HN 0.220 nan 8.370 nan 0.000 0.453 378 T N 1.355 116.037 114.554 0.213 0.000 2.649 378 T HA -0.234 4.117 4.350 0.001 0.000 0.268 378 T C 2.009 176.771 174.700 0.103 0.000 1.036 378 T CA 1.974 64.223 62.100 0.249 0.000 1.157 378 T CB -0.360 68.751 68.868 0.405 0.000 0.861 378 T HN 0.228 nan 8.240 nan 0.000 0.445 379 A N 0.704 123.564 122.820 0.067 0.000 1.873 379 A HA -0.017 4.303 4.320 0.001 0.000 0.215 379 A C 2.638 180.266 177.584 0.074 0.000 1.186 379 A CA 1.441 53.478 52.037 0.001 0.000 0.616 379 A CB -0.945 17.977 19.000 -0.130 0.000 0.823 379 A HN 0.366 nan 8.150 nan 0.000 0.442 380 V N -0.267 119.672 119.914 0.042 0.000 2.295 380 V HA -0.227 3.894 4.120 0.001 0.000 0.246 380 V C 2.584 178.561 176.094 -0.194 0.000 1.049 380 V CA 1.978 64.220 62.300 -0.098 0.000 1.024 380 V CB -0.858 30.789 31.823 -0.293 0.000 0.648 380 V HN 0.369 nan 8.190 nan 0.000 0.447 381 V N -0.308 119.466 119.914 -0.234 0.000 2.237 381 V HA -0.234 3.886 4.120 0.001 0.000 0.245 381 V C 2.441 178.370 176.094 -0.276 0.000 1.046 381 V CA 2.020 64.078 62.300 -0.403 0.000 1.007 381 V CB -0.603 30.660 31.823 -0.932 0.000 0.638 381 V HN 0.381 nan 8.190 nan 0.000 0.445 382 V N -0.620 119.197 119.914 -0.161 0.000 2.252 382 V HA -0.311 3.810 4.120 0.001 0.000 0.249 382 V C 2.137 178.365 176.094 0.224 0.000 1.056 382 V CA 2.593 64.971 62.300 0.129 0.000 1.022 382 V CB -0.850 31.155 31.823 0.304 0.000 0.641 382 V HN 0.844 nan 8.190 nan 0.000 0.445 383 W N 1.311 122.577 121.300 -0.056 0.000 2.338 383 W HA -0.225 4.436 4.660 0.001 0.000 0.304 383 W C 2.460 178.878 176.519 -0.167 0.000 1.212 383 W CA 2.007 59.253 57.345 -0.165 0.000 1.264 383 W CB -0.978 28.365 29.460 -0.196 0.000 1.142 383 W HN 0.236 nan 8.180 nan 0.000 0.512 384 A N 0.799 123.492 122.820 -0.211 0.000 1.883 384 A HA -0.211 4.109 4.320 0.001 0.000 0.217 384 A C 2.356 179.872 177.584 -0.112 0.000 1.186 384 A CA 2.219 54.056 52.037 -0.332 0.000 0.624 384 A CB -1.212 17.584 19.000 -0.339 0.000 0.822 384 A HN 0.380 nan 8.150 nan 0.000 0.444 385 L N -0.493 120.717 121.223 -0.023 0.000 2.043 385 L HA -0.240 4.101 4.340 0.001 0.000 0.212 385 L C 2.382 179.309 176.870 0.095 0.000 1.075 385 L CA 1.745 56.619 54.840 0.057 0.000 0.752 385 L CB -0.652 41.474 42.059 0.112 0.000 0.891 385 L HN 0.536 nan 8.230 nan 0.000 0.432 386 N N -0.405 118.368 118.700 0.120 0.000 2.588 386 N HA -0.162 4.579 4.740 0.001 0.000 0.190 386 N C 1.337 176.880 175.510 0.054 0.000 1.094 386 N CA 1.392 54.498 53.050 0.094 0.000 0.921 386 N CB 0.044 38.423 38.487 -0.179 0.000 0.959 386 N HN 0.412 nan 8.380 nan 0.000 0.448 387 T N -3.144 111.434 114.554 0.041 0.000 3.085 387 T HA 0.296 4.647 4.350 0.001 0.000 0.264 387 T C 0.299 175.014 174.700 0.025 0.000 1.019 387 T CA -0.434 61.683 62.100 0.028 0.000 0.910 387 T CB -0.135 68.727 68.868 -0.009 0.000 1.059 387 T HN -0.053 nan 8.240 nan 0.000 0.542 388 L N 0.793 122.041 121.223 0.041 0.000 2.319 388 L HA 0.660 5.000 4.340 0.001 0.000 0.267 388 L C 0.193 177.102 176.870 0.064 0.000 1.011 388 L CA -1.383 53.486 54.840 0.049 0.000 0.818 388 L CB 1.930 44.020 42.059 0.051 0.000 1.316 388 L HN -0.091 nan 8.230 nan 0.000 0.432 389 R N 2.744 123.282 120.500 0.063 0.000 2.312 389 R HA 0.535 4.875 4.340 0.001 0.000 0.310 389 R C -1.077 175.260 176.300 0.061 0.000 1.064 389 R CA -0.430 55.706 56.100 0.061 0.000 0.983 389 R CB 0.972 31.304 30.300 0.053 0.000 1.139 389 R HN 0.507 nan 8.270 nan 0.000 0.536 390 L N 3.494 124.756 121.223 0.065 0.000 2.387 390 L HA 0.434 4.774 4.340 0.001 0.000 0.266 390 L C -1.357 175.544 176.870 0.053 0.000 1.059 390 L CA -2.158 52.720 54.840 0.063 0.000 0.801 390 L CB 0.946 43.048 42.059 0.072 0.000 1.223 390 L HN 0.146 nan 8.230 nan 0.000 0.456 391 P HA -0.164 nan 4.420 nan 0.000 0.213 391 P C 0.160 177.482 177.300 0.037 0.000 1.170 391 P CA 1.083 64.205 63.100 0.037 0.000 0.898 391 P CB 0.143 31.863 31.700 0.034 0.000 0.787 392 D N 0.242 120.665 120.400 0.039 0.000 2.545 392 D HA -0.050 4.590 4.640 0.001 0.000 0.227 392 D C 0.959 177.286 176.300 0.044 0.000 1.150 392 D CA 0.177 54.199 54.000 0.037 0.000 1.046 392 D CB -0.255 40.565 40.800 0.034 0.000 1.098 392 D HN 0.016 nan 8.370 nan 0.000 0.502 393 E N 1.242 121.468 120.200 0.043 0.000 2.331 393 E HA -0.176 4.174 4.350 0.001 0.000 0.199 393 E C 1.629 178.259 176.600 0.049 0.000 1.008 393 E CA 0.395 56.825 56.400 0.050 0.000 0.843 393 E CB 0.159 29.886 29.700 0.045 0.000 0.761 393 E HN 0.493 nan 8.360 nan 0.000 0.507 394 R N 0.285 120.808 120.500 0.039 0.000 2.210 394 R HA 0.057 4.397 4.340 0.001 0.000 0.203 394 R C 2.183 178.507 176.300 0.039 0.000 1.010 394 R CA 0.215 56.336 56.100 0.035 0.000 1.008 394 R CB 0.182 30.497 30.300 0.024 0.000 0.923 394 R HN -0.025 nan 8.270 nan 0.000 0.469 395 R N 0.298 120.824 120.500 0.043 0.000 2.075 395 R HA -0.044 4.297 4.340 0.001 0.000 0.226 395 R C 2.323 178.664 176.300 0.068 0.000 1.114 395 R CA 1.003 57.130 56.100 0.045 0.000 0.972 395 R CB -0.081 30.242 30.300 0.039 0.000 0.869 395 R HN 0.052 nan 8.270 nan 0.000 0.437 396 R N 0.185 120.733 120.500 0.080 0.000 2.073 396 R HA -0.162 4.179 4.340 0.001 0.000 0.234 396 R C 2.233 178.606 176.300 0.121 0.000 1.134 396 R CA 1.680 57.846 56.100 0.109 0.000 0.952 396 R CB -0.163 30.201 30.300 0.106 0.000 0.850 396 R HN -0.028 nan 8.270 nan 0.000 0.433 397 R N 0.776 121.334 120.500 0.097 0.000 2.096 397 R HA -0.136 4.204 4.340 0.001 0.000 0.235 397 R C 1.586 177.928 176.300 0.070 0.000 1.127 397 R CA 2.183 58.335 56.100 0.088 0.000 0.968 397 R CB -0.586 29.750 30.300 0.061 0.000 0.861 397 R HN 0.368 nan 8.270 nan 0.000 0.440 398 D N -0.927 119.510 120.400 0.062 0.000 2.120 398 D HA 0.022 4.663 4.640 0.001 0.000 0.202 398 D C 1.675 178.019 176.300 0.072 0.000 0.972 398 D CA 1.366 55.395 54.000 0.049 0.000 0.837 398 D CB -0.084 40.737 40.800 0.035 0.000 0.989 398 D HN 0.258 nan 8.370 nan 0.000 0.469 399 A N 0.523 123.402 122.820 0.099 0.000 1.851 399 A HA -0.233 4.088 4.320 0.001 0.000 0.216 399 A C 2.318 180.023 177.584 0.202 0.000 1.195 399 A CA 1.994 54.115 52.037 0.140 0.000 0.622 399 A CB -0.857 18.254 19.000 0.185 0.000 0.831 399 A HN 0.312 nan 8.150 nan 0.000 0.444 400 M N -0.723 119.013 119.600 0.226 0.000 2.108 400 M HA -0.204 4.277 4.480 0.001 0.000 0.257 400 M C 2.257 178.683 176.300 0.210 0.000 1.071 400 M CA 2.269 57.737 55.300 0.281 0.000 1.093 400 M CB -1.023 31.768 32.600 0.318 0.000 1.345 400 M HN 0.533 nan 8.290 nan 0.000 0.403 401 T N 0.352 114.964 114.554 0.096 0.000 2.708 401 T HA -0.140 4.210 4.350 0.001 0.000 0.266 401 T C 1.767 176.542 174.700 0.126 0.000 1.037 401 T CA 1.330 63.446 62.100 0.027 0.000 1.146 401 T CB -0.192 68.657 68.868 -0.032 0.000 0.865 401 T HN 0.392 nan 8.240 nan 0.000 0.435 402 K N 0.597 121.072 120.400 0.126 0.000 2.032 402 K HA -0.051 4.269 4.320 0.001 0.000 0.209 402 K C 2.662 179.396 176.600 0.224 0.000 1.048 402 K CA 1.312 57.681 56.287 0.138 0.000 0.927 402 K CB -0.603 31.935 32.500 0.065 0.000 0.712 402 K HN 0.383 nan 8.250 nan 0.000 0.441 403 G N 1.221 110.177 108.800 0.260 0.000 2.459 403 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 403 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 403 G C 1.334 176.486 174.900 0.420 0.000 1.183 403 G CA 0.619 45.937 45.100 0.363 0.000 0.776 403 G HN 0.191 nan 8.290 nan 0.000 0.552 404 F N 1.897 121.977 119.950 0.217 0.000 2.025 404 F HA -0.143 4.385 4.527 0.001 0.000 0.297 404 F C 2.963 178.891 175.800 0.212 0.000 1.132 404 F CA 2.070 60.184 58.000 0.190 0.000 1.191 404 F CB -0.435 38.513 39.000 -0.086 0.000 0.963 404 F HN 0.014 nan 8.300 nan 0.000 0.481 405 R N -1.343 119.487 120.500 0.549 0.000 2.117 405 R HA -0.267 4.073 4.340 0.001 0.000 0.243 405 R C 2.127 178.633 176.300 0.344 0.000 1.143 405 R CA 1.911 58.248 56.100 0.394 0.000 0.968 405 R CB -1.159 29.282 30.300 0.235 0.000 0.863 405 R HN 0.549 nan 8.270 nan 0.000 0.444 406 W N 1.531 122.918 121.300 0.144 0.000 2.379 406 W HA -0.098 4.562 4.660 0.001 0.000 0.307 406 W C 1.774 178.344 176.519 0.084 0.000 1.200 406 W CA 1.238 58.604 57.345 0.036 0.000 1.297 406 W CB -0.319 29.098 29.460 -0.073 0.000 1.140 406 W HN -0.087 nan 8.180 nan 0.000 0.507 407 I N 0.040 120.759 120.570 0.248 0.000 2.151 407 I HA -0.382 3.789 4.170 0.001 0.000 0.243 407 I C 2.151 178.448 176.117 0.299 0.000 1.080 407 I CA 1.753 63.111 61.300 0.097 0.000 1.339 407 I CB -1.210 36.805 38.000 0.025 0.000 1.039 407 I HN -0.168 nan 8.210 nan 0.000 0.409 408 V N 1.090 121.233 119.914 0.382 0.000 2.332 408 V HA -0.243 3.877 4.120 0.001 0.000 0.248 408 V C 2.491 178.717 176.094 0.220 0.000 1.055 408 V CA 2.209 64.774 62.300 0.442 0.000 1.038 408 V CB -1.491 30.592 31.823 0.434 0.000 0.651 408 V HN 0.612 nan 8.190 nan 0.000 0.450 409 G N -1.257 107.595 108.800 0.087 0.000 2.598 409 G HA2 -0.121 3.839 3.960 0.001 0.000 0.215 409 G HA3 -0.121 3.839 3.960 0.001 0.000 0.215 409 G C 1.339 176.143 174.900 -0.160 0.000 1.131 409 G CA 0.277 45.360 45.100 -0.027 0.000 0.785 409 G HN 0.345 nan 8.290 nan 0.000 0.539 410 M N 0.030 119.490 119.600 -0.234 0.000 2.509 410 M HA 0.170 4.651 4.480 0.001 0.000 0.250 410 M C 1.172 177.306 176.300 -0.277 0.000 1.132 410 M CA -0.116 54.997 55.300 -0.311 0.000 1.080 410 M CB -0.476 31.792 32.600 -0.553 0.000 1.408 410 M HN 0.315 nan 8.290 nan 0.000 0.484 411 Q N 1.480 121.045 119.800 -0.392 0.000 2.283 411 Q HA 0.017 4.357 4.340 0.001 0.000 0.301 411 Q C -0.424 175.160 176.000 -0.693 0.000 1.063 411 Q CA 0.339 55.442 55.803 -1.166 0.000 0.952 411 Q CB 0.783 28.841 28.738 -1.133 0.000 1.166 411 Q HN 0.156 nan 8.270 nan 0.000 0.381 412 S N 1.861 117.141 115.700 -0.701 0.000 2.686 412 S HA 0.110 4.581 4.470 0.001 0.000 0.270 412 S C 1.091 175.471 174.600 -0.366 0.000 1.194 412 S CA -0.489 57.468 58.200 -0.405 0.000 0.990 412 S CB 1.366 64.378 63.200 -0.314 0.000 1.029 412 S HN 0.798 nan 8.310 nan 0.000 0.560 413 S N 2.204 117.762 115.700 -0.237 0.000 2.365 413 S HA -0.200 4.270 4.470 0.001 0.000 0.225 413 S C 1.569 176.057 174.600 -0.188 0.000 1.039 413 S CA 1.993 60.084 58.200 -0.182 0.000 1.033 413 S CB -0.748 62.384 63.200 -0.113 0.000 0.887 413 S HN 0.853 nan 8.310 nan 0.000 0.447 414 N N 0.944 119.522 118.700 -0.203 0.000 2.609 414 N HA 0.171 4.912 4.740 0.001 0.000 0.190 414 N C 1.026 176.404 175.510 -0.220 0.000 1.157 414 N CA 0.933 53.889 53.050 -0.157 0.000 0.918 414 N CB -0.422 37.998 38.487 -0.111 0.000 0.978 414 N HN 0.444 nan 8.380 nan 0.000 0.448 415 G N -2.442 106.141 108.800 -0.362 0.000 2.175 415 G HA2 -0.156 3.804 3.960 0.001 0.000 0.244 415 G HA3 -0.156 3.804 3.960 0.001 0.000 0.244 415 G C 0.277 174.845 174.900 -0.555 0.000 0.982 415 G CA -0.081 44.785 45.100 -0.390 0.000 0.641 415 G HN 0.815 nan 8.290 nan 0.000 0.527 416 G N -1.681 106.634 108.800 -0.809 0.000 2.705 416 G HA2 0.577 4.538 3.960 0.001 0.000 0.299 416 G HA3 0.577 4.538 3.960 0.001 0.000 0.299 416 G C -0.597 173.994 174.900 -0.515 0.000 1.315 416 G CA -0.885 43.779 45.100 -0.727 0.000 1.045 416 G HN 0.255 nan 8.290 nan 0.000 0.517 417 W N -0.275 120.870 121.300 -0.258 0.000 2.702 417 W HA 0.522 5.182 4.660 0.001 0.000 0.331 417 W C 0.395 176.877 176.519 -0.061 0.000 1.049 417 W CA -0.740 56.512 57.345 -0.154 0.000 1.230 417 W CB 2.105 31.481 29.460 -0.141 0.000 1.408 417 W HN 0.821 nan 8.180 nan 0.000 0.492 418 G N 0.618 109.529 108.800 0.184 0.000 2.510 418 G HA2 0.452 4.413 3.960 0.001 0.000 0.280 418 G HA3 0.452 4.413 3.960 0.001 0.000 0.280 418 G C 0.480 175.515 174.900 0.225 0.000 1.386 418 G CA 0.316 45.548 45.100 0.219 0.000 1.047 418 G HN 0.506 nan 8.290 nan 0.000 0.527 419 A N -1.848 121.120 122.820 0.247 0.000 1.887 419 A HA 0.316 4.637 4.320 0.001 0.000 0.210 419 A C 1.864 179.353 177.584 -0.158 0.000 1.221 419 A CA 0.972 52.984 52.037 -0.040 0.000 0.635 419 A CB -0.225 18.692 19.000 -0.138 0.000 0.881 419 A HN 0.570 nan 8.150 nan 0.000 0.456 420 Y N -0.447 120.047 120.300 0.323 0.000 2.581 420 Y HA 0.269 4.820 4.550 0.001 0.000 0.271 420 Y C 0.467 176.577 175.900 0.350 0.000 1.100 420 Y CA -0.362 57.959 58.100 0.368 0.000 1.281 420 Y CB 0.555 39.258 38.460 0.404 0.000 1.237 420 Y HN 0.151 nan 8.280 nan 0.000 0.514 421 D N -0.853 119.789 120.400 0.403 0.000 2.553 421 D HA 0.490 5.131 4.640 0.001 0.000 0.249 421 D C -1.038 175.362 176.300 0.167 0.000 1.062 421 D CA -0.416 53.768 54.000 0.307 0.000 1.085 421 D CB 3.055 44.027 40.800 0.288 0.000 1.350 421 D HN -0.340 nan 8.370 nan 0.000 0.575 422 V N 1.030 121.018 119.914 0.124 0.000 2.483 422 V HA 0.144 4.265 4.120 0.001 0.000 0.295 422 V C -0.098 176.010 176.094 0.023 0.000 1.035 422 V CA -0.626 61.690 62.300 0.025 0.000 0.896 422 V CB 1.341 33.164 31.823 -0.001 0.000 0.986 422 V HN 0.574 nan 8.190 nan 0.000 0.447 423 D N 2.638 123.022 120.400 -0.027 0.000 2.702 423 D HA -0.210 4.431 4.640 0.001 0.000 0.233 423 D C 0.648 176.956 176.300 0.013 0.000 1.164 423 D CA 0.769 54.755 54.000 -0.023 0.000 0.638 423 D CB -0.634 40.147 40.800 -0.031 0.000 1.041 423 D HN 0.775 nan 8.370 nan 0.000 0.422 424 N N 0.794 119.517 118.700 0.038 0.000 3.303 424 N HA -0.006 4.735 4.740 0.001 0.000 0.304 424 N C 0.603 176.122 175.510 0.015 0.000 1.302 424 N CA 0.405 53.480 53.050 0.041 0.000 1.213 424 N CB 0.127 38.654 38.487 0.066 0.000 1.481 424 N HN 0.202 nan 8.380 nan 0.000 0.546 425 T N -2.740 111.814 114.554 0.001 0.000 3.176 425 T HA 0.092 4.442 4.350 0.001 0.000 0.263 425 T C 0.795 175.479 174.700 -0.028 0.000 1.021 425 T CA -0.518 61.577 62.100 -0.008 0.000 0.905 425 T CB 0.155 69.020 68.868 -0.004 0.000 1.057 425 T HN 0.103 nan 8.240 nan 0.000 0.558 426 S N 0.657 116.329 115.700 -0.046 0.000 2.572 426 S HA 0.095 4.566 4.470 0.001 0.000 0.267 426 S C 0.759 175.301 174.600 -0.097 0.000 1.361 426 S CA 0.138 58.299 58.200 -0.065 0.000 1.009 426 S CB 0.770 63.916 63.200 -0.090 0.000 0.888 426 S HN 0.521 nan 8.310 nan 0.000 0.553 427 D N 1.029 121.377 120.400 -0.086 0.000 2.473 427 D HA 0.228 4.869 4.640 0.001 0.000 0.230 427 D C 1.839 178.032 176.300 -0.178 0.000 1.097 427 D CA 0.112 54.040 54.000 -0.121 0.000 0.861 427 D CB -0.165 40.626 40.800 -0.016 0.000 1.114 427 D HN 0.498 nan 8.370 nan 0.000 0.500 428 L N 1.562 122.743 121.223 -0.070 0.000 1.997 428 L HA -0.125 4.215 4.340 0.001 0.000 0.216 428 L C -0.536 176.179 176.870 -0.258 0.000 1.074 428 L CA 1.804 56.633 54.840 -0.019 0.000 0.763 428 L CB -1.330 40.738 42.059 0.015 0.000 0.890 428 L HN 0.221 nan 8.230 nan 0.000 0.434 429 P HA -0.192 nan 4.420 nan 0.000 0.218 429 P C 0.694 177.702 177.300 -0.487 0.000 1.148 429 P CA 1.426 64.158 63.100 -0.613 0.000 0.822 429 P CB -0.312 30.737 31.700 -1.084 0.000 0.784 430 N N -0.694 117.705 118.700 -0.500 0.000 2.626 430 N HA -0.106 4.635 4.740 0.001 0.000 0.193 430 N C 1.066 176.220 175.510 -0.594 0.000 1.213 430 N CA 0.709 53.460 53.050 -0.498 0.000 0.914 430 N CB -0.311 37.876 38.487 -0.500 0.000 0.994 430 N HN 0.435 nan 8.380 nan 0.000 0.447 431 H N -0.613 118.236 119.070 -0.368 0.000 3.017 431 H HA 0.177 4.734 4.556 0.001 0.000 0.255 431 H C 1.061 175.994 175.328 -0.657 0.000 0.990 431 H CA -0.369 55.408 56.048 -0.453 0.000 1.205 431 H CB 0.982 30.470 29.762 -0.457 0.000 1.460 431 H HN 0.201 nan 8.280 nan 0.000 0.478 432 I N 0.735 120.909 120.570 -0.660 0.000 2.872 432 I HA 0.064 4.235 4.170 0.001 0.000 0.291 432 I C -1.604 174.449 176.117 -0.107 0.000 1.216 432 I CA -1.457 59.578 61.300 -0.442 0.000 1.424 432 I CB 0.580 38.444 38.000 -0.227 0.000 1.351 432 I HN -0.233 nan 8.210 nan 0.000 0.592 433 P HA -0.249 nan 4.420 nan 0.000 0.215 433 P C 1.541 178.874 177.300 0.056 0.000 1.163 433 P CA 1.694 64.839 63.100 0.075 0.000 0.894 433 P CB -0.112 31.673 31.700 0.143 0.000 0.791 434 F N 0.243 120.166 119.950 -0.045 0.000 2.115 434 F HA -0.215 4.313 4.527 0.001 0.000 0.300 434 F C 0.771 176.478 175.800 -0.155 0.000 1.092 434 F CA 1.189 59.125 58.000 -0.107 0.000 1.245 434 F CB -0.686 38.251 39.000 -0.105 0.000 0.995 434 F HN -0.125 nan 8.300 nan 0.000 0.481 435 C N 3.080 122.360 119.300 -0.034 0.000 2.518 435 C HA 0.139 4.600 4.460 0.001 0.000 0.456 435 C C 0.808 175.721 174.990 -0.127 0.000 1.016 435 C CA -0.037 58.919 59.018 -0.103 0.000 1.210 435 C CB -2.063 25.698 27.740 0.035 0.000 1.542 435 C HN 0.517 nan 8.230 nan 0.000 0.545 436 D N -0.230 120.065 120.400 -0.176 0.000 2.501 436 D HA 0.091 4.732 4.640 0.001 0.000 0.224 436 D C -0.272 176.031 176.300 0.005 0.000 1.202 436 D CA -0.168 53.783 54.000 -0.082 0.000 0.829 436 D CB 0.072 40.824 40.800 -0.081 0.000 1.023 436 D HN 0.364 nan 8.370 nan 0.000 0.499 437 F N 1.239 121.104 119.950 -0.141 0.000 2.612 437 F HA 0.502 5.030 4.527 0.001 0.000 0.332 437 F C 0.702 176.432 175.800 -0.116 0.000 1.167 437 F CA 0.411 58.381 58.000 -0.050 0.000 0.970 437 F CB 1.341 40.371 39.000 0.051 0.000 1.234 437 F HN 0.215 nan 8.300 nan 0.000 0.453 438 G N 4.690 113.384 108.800 -0.177 0.000 2.641 438 G HA2 -0.186 3.774 3.960 0.001 0.000 0.254 438 G HA3 -0.186 3.774 3.960 0.001 0.000 0.254 438 G C -0.604 174.020 174.900 -0.459 0.000 1.315 438 G CA -0.461 44.423 45.100 -0.360 0.000 0.907 438 G HN 0.680 nan 8.290 nan 0.000 0.572 439 E N -0.551 119.154 120.200 -0.825 0.000 2.373 439 E HA 0.419 4.769 4.350 0.001 0.000 0.263 439 E C 1.047 177.648 176.600 0.002 0.000 1.073 439 E CA 0.104 56.338 56.400 -0.277 0.000 0.894 439 E CB 1.587 31.287 29.700 -0.000 0.000 1.008 439 E HN 0.571 nan 8.360 nan 0.000 0.420 440 V N 0.261 120.230 119.914 0.092 0.000 3.485 440 V HA 0.024 4.145 4.120 0.001 0.000 0.280 440 V C 0.542 176.614 176.094 -0.037 0.000 1.495 440 V CA 0.574 62.929 62.300 0.092 0.000 1.018 440 V CB 0.741 32.548 31.823 -0.026 0.000 0.818 440 V HN 0.754 nan 8.190 nan 0.000 0.436 441 T N -2.633 111.918 114.554 -0.005 0.000 2.907 441 T HA 0.628 4.979 4.350 0.001 0.000 0.290 441 T C -1.182 173.545 174.700 0.045 0.000 1.066 441 T CA -0.437 61.615 62.100 -0.079 0.000 1.012 441 T CB 2.711 71.529 68.868 -0.083 0.000 1.184 441 T HN 0.008 nan 8.240 nan 0.000 0.522 442 D N 2.209 122.615 120.400 0.010 0.000 2.517 442 D HA 0.390 5.031 4.640 0.001 0.000 0.301 442 D C -2.427 173.997 176.300 0.208 0.000 1.202 442 D CA -1.958 52.168 54.000 0.210 0.000 0.910 442 D CB 0.791 41.674 40.800 0.138 0.000 1.021 442 D HN 0.314 nan 8.370 nan 0.000 0.499 443 P HA 0.358 nan 4.420 nan 0.000 0.278 443 P C -2.643 174.756 177.300 0.164 0.000 1.258 443 P CA -1.655 61.522 63.100 0.128 0.000 0.811 443 P CB 0.467 32.226 31.700 0.098 0.000 1.063 444 P HA 0.037 nan 4.420 nan 0.000 0.266 444 P C -0.107 177.319 177.300 0.209 0.000 1.193 444 P CA 0.618 63.754 63.100 0.060 0.000 0.770 444 P CB 0.180 31.743 31.700 -0.228 0.000 0.836 445 S N 0.340 116.202 115.700 0.271 0.000 2.599 445 S HA 0.390 4.860 4.470 0.001 0.000 0.294 445 S C 0.673 175.472 174.600 0.331 0.000 1.094 445 S CA -0.644 57.754 58.200 0.329 0.000 0.931 445 S CB 1.782 65.167 63.200 0.308 0.000 1.093 445 S HN 0.220 nan 8.310 nan 0.000 0.488 446 E N 1.444 121.800 120.200 0.260 0.000 2.051 446 E HA -0.134 4.217 4.350 0.001 0.000 0.192 446 E C 1.522 178.055 176.600 -0.111 0.000 0.991 446 E CA 1.784 58.236 56.400 0.086 0.000 0.799 446 E CB -0.236 29.465 29.700 0.001 0.000 0.748 446 E HN 0.839 nan 8.360 nan 0.000 0.449 447 D N 0.686 120.992 120.400 -0.156 0.000 2.097 447 D HA -0.145 4.496 4.640 0.001 0.000 0.195 447 D C 1.971 178.003 176.300 -0.447 0.000 0.989 447 D CA 1.031 54.779 54.000 -0.421 0.000 0.827 447 D CB -0.738 39.832 40.800 -0.384 0.000 0.966 447 D HN 0.147 nan 8.370 nan 0.000 0.456 448 V N 1.081 120.944 119.914 -0.085 0.000 2.261 448 V HA -0.236 3.885 4.120 0.001 0.000 0.246 448 V C 2.741 178.779 176.094 -0.094 0.000 1.047 448 V CA 2.309 64.600 62.300 -0.015 0.000 1.015 448 V CB -1.075 30.824 31.823 0.127 0.000 0.642 448 V HN 0.291 nan 8.190 nan 0.000 0.446 449 T N 0.488 115.053 114.554 0.018 0.000 2.737 449 T HA -0.233 4.118 4.350 0.001 0.000 0.269 449 T C 2.026 176.637 174.700 -0.148 0.000 1.040 449 T CA 1.742 63.888 62.100 0.077 0.000 1.142 449 T CB -0.469 68.570 68.868 0.285 0.000 0.861 449 T HN 0.588 nan 8.240 nan 0.000 0.456 450 A N 1.122 123.796 122.820 -0.243 0.000 1.877 450 A HA -0.159 4.162 4.320 0.001 0.000 0.216 450 A C 1.923 179.334 177.584 -0.287 0.000 1.186 450 A CA 1.796 53.635 52.037 -0.331 0.000 0.620 450 A CB -0.995 17.722 19.000 -0.472 0.000 0.822 450 A HN 0.705 nan 8.150 nan 0.000 0.443 451 H N -1.151 117.778 119.070 -0.236 0.000 2.352 451 H HA -0.097 4.460 4.556 0.001 0.000 0.299 451 H C 2.116 177.216 175.328 -0.379 0.000 1.097 451 H CA 1.061 56.993 56.048 -0.194 0.000 1.311 451 H CB -0.033 29.701 29.762 -0.047 0.000 1.377 451 H HN 0.285 nan 8.280 nan 0.000 0.504 452 V N 1.178 120.820 119.914 -0.452 0.000 2.287 452 V HA -0.271 3.849 4.120 0.001 0.000 0.248 452 V C 2.455 177.912 176.094 -1.062 0.000 1.053 452 V CA 1.644 63.358 62.300 -0.977 0.000 1.027 452 V CB -0.555 30.282 31.823 -1.643 0.000 0.646 452 V HN 0.361 nan 8.190 nan 0.000 0.447 453 L N -0.254 120.567 121.223 -0.669 0.000 1.989 453 L HA -0.253 4.088 4.340 0.001 0.000 0.211 453 L C 2.619 179.283 176.870 -0.344 0.000 1.071 453 L CA 2.308 56.916 54.840 -0.386 0.000 0.749 453 L CB -0.627 41.317 42.059 -0.193 0.000 0.890 453 L HN 0.420 nan 8.230 nan 0.000 0.431 454 E N -0.648 119.305 120.200 -0.412 0.000 2.153 454 E HA -0.261 4.090 4.350 0.001 0.000 0.194 454 E C 2.343 178.438 176.600 -0.843 0.000 0.988 454 E CA 1.313 57.371 56.400 -0.569 0.000 0.811 454 E CB -0.064 29.261 29.700 -0.625 0.000 0.746 454 E HN 0.542 nan 8.360 nan 0.000 0.466 455 C N -0.013 118.858 119.300 -0.714 0.000 2.442 455 C HA -0.152 4.309 4.460 0.001 0.000 0.279 455 C C 2.301 177.141 174.990 -0.250 0.000 1.237 455 C CA 0.786 59.461 59.018 -0.572 0.000 1.722 455 C CB -1.396 26.125 27.740 -0.365 0.000 2.056 455 C HN 0.526 nan 8.230 nan 0.000 0.469 456 F N 1.918 121.757 119.950 -0.185 0.000 2.120 456 F HA 0.040 4.568 4.527 0.001 0.000 0.300 456 F C 2.680 178.572 175.800 0.154 0.000 1.095 456 F CA 1.413 59.451 58.000 0.063 0.000 1.249 456 F CB -1.791 37.244 39.000 0.058 0.000 0.995 456 F HN 0.387 nan 8.300 nan 0.000 0.480 457 G N -0.313 108.575 108.800 0.148 0.000 2.469 457 G HA2 -0.329 3.632 3.960 0.001 0.000 0.220 457 G HA3 -0.329 3.632 3.960 0.001 0.000 0.220 457 G C 1.821 176.710 174.900 -0.019 0.000 1.136 457 G CA 1.603 46.739 45.100 0.059 0.000 0.759 457 G HN 0.485 nan 8.290 nan 0.000 0.562 458 S N 0.377 115.925 115.700 -0.253 0.000 2.382 458 S HA -0.052 4.418 4.470 0.001 0.000 0.228 458 S C 1.977 176.487 174.600 -0.149 0.000 1.027 458 S CA 1.145 59.158 58.200 -0.311 0.000 0.991 458 S CB -0.539 62.307 63.200 -0.589 0.000 0.823 458 S HN 0.192 nan 8.310 nan 0.000 0.469 459 F N 2.410 122.474 119.950 0.190 0.000 2.699 459 F HA 0.340 4.867 4.527 0.001 0.000 0.298 459 F C 2.244 178.221 175.800 0.295 0.000 1.154 459 F CA 0.196 58.373 58.000 0.295 0.000 1.457 459 F CB -0.519 38.748 39.000 0.446 0.000 1.106 459 F HN 0.493 nan 8.300 nan 0.000 0.585 460 G N -1.797 107.222 108.800 0.366 0.000 2.238 460 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 460 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 460 G C 0.240 175.258 174.900 0.196 0.000 0.996 460 G CA -0.449 44.775 45.100 0.206 0.000 0.632 460 G HN 0.178 nan 8.290 nan 0.000 0.503 461 Y N 2.675 123.085 120.300 0.183 0.000 2.652 461 Y HA 0.406 4.957 4.550 0.001 0.000 0.344 461 Y C 1.183 177.214 175.900 0.218 0.000 1.254 461 Y CA 0.655 58.871 58.100 0.193 0.000 1.480 461 Y CB 0.488 39.126 38.460 0.296 0.000 1.345 461 Y HN 0.610 nan 8.280 nan 0.000 0.617 462 D N -1.530 119.080 120.400 0.351 0.000 3.076 462 D HA 0.128 4.768 4.640 0.001 0.000 0.301 462 D C 0.152 176.618 176.300 0.278 0.000 1.260 462 D CA -0.477 53.679 54.000 0.260 0.000 1.027 462 D CB -0.131 40.758 40.800 0.149 0.000 1.370 462 D HN 0.294 nan 8.370 nan 0.000 0.602 463 D N -1.222 119.291 120.400 0.187 0.000 2.350 463 D HA 0.035 4.675 4.640 0.001 0.000 0.216 463 D C 1.731 178.127 176.300 0.161 0.000 0.968 463 D CA 1.305 55.401 54.000 0.160 0.000 0.894 463 D CB -0.173 40.697 40.800 0.117 0.000 0.909 463 D HN 0.437 nan 8.370 nan 0.000 0.520 464 A N -0.181 122.744 122.820 0.175 0.000 1.929 464 A HA -0.042 4.279 4.320 0.001 0.000 0.216 464 A C 0.922 178.653 177.584 0.245 0.000 1.176 464 A CA 0.218 52.352 52.037 0.161 0.000 0.628 464 A CB -0.830 18.239 19.000 0.115 0.000 0.816 464 A HN 0.434 nan 8.150 nan 0.000 0.444 465 W N 2.087 123.438 121.300 0.085 0.000 2.308 465 W HA 0.233 4.894 4.660 0.001 0.000 0.324 465 W C 1.231 177.812 176.519 0.104 0.000 1.387 465 W CA -0.669 56.740 57.345 0.106 0.000 1.250 465 W CB 0.550 30.120 29.460 0.184 0.000 1.257 465 W HN 0.325 nan 8.180 nan 0.000 0.554 466 K N 3.337 123.823 120.400 0.145 0.000 2.113 466 K HA -0.221 4.100 4.320 0.001 0.000 0.208 466 K C 1.521 177.934 176.600 -0.312 0.000 1.047 466 K CA 2.089 58.338 56.287 -0.064 0.000 0.928 466 K CB -0.069 32.434 32.500 0.005 0.000 0.716 466 K HN 0.467 nan 8.250 nan 0.000 0.446 467 V N 1.719 121.127 119.914 -0.843 0.000 2.295 467 V HA -0.286 3.835 4.120 0.001 0.000 0.246 467 V C 2.365 178.201 176.094 -0.429 0.000 1.049 467 V CA 1.500 63.303 62.300 -0.828 0.000 1.024 467 V CB -0.355 30.537 31.823 -1.551 0.000 0.648 467 V HN 0.341 nan 8.190 nan 0.000 0.447 468 I N -0.041 120.310 120.570 -0.365 0.000 2.179 468 I HA -0.220 3.951 4.170 0.001 0.000 0.242 468 I C 2.588 178.726 176.117 0.035 0.000 1.088 468 I CA 1.762 63.074 61.300 0.019 0.000 1.357 468 I CB -1.264 36.854 38.000 0.197 0.000 1.051 468 I HN 0.350 nan 8.210 nan 0.000 0.409 469 R N 1.390 121.894 120.500 0.007 0.000 2.094 469 R HA -0.188 4.152 4.340 0.001 0.000 0.239 469 R C 2.505 178.812 176.300 0.012 0.000 1.137 469 R CA 1.712 57.828 56.100 0.027 0.000 0.943 469 R CB -0.162 30.152 30.300 0.023 0.000 0.850 469 R HN 0.302 nan 8.270 nan 0.000 0.433 470 R N 0.011 120.488 120.500 -0.038 0.000 2.117 470 R HA -0.166 4.174 4.340 0.001 0.000 0.243 470 R C 2.356 178.660 176.300 0.007 0.000 1.143 470 R CA 1.510 57.584 56.100 -0.044 0.000 0.968 470 R CB -0.519 29.706 30.300 -0.124 0.000 0.863 470 R HN 0.329 nan 8.270 nan 0.000 0.444 471 A N 0.977 123.816 122.820 0.031 0.000 1.855 471 A HA -0.089 4.232 4.320 0.001 0.000 0.215 471 A C 2.455 180.150 177.584 0.184 0.000 1.191 471 A CA 1.340 53.464 52.037 0.145 0.000 0.613 471 A CB -0.581 18.582 19.000 0.273 0.000 0.829 471 A HN 0.110 nan 8.150 nan 0.000 0.442 472 V N 0.511 120.499 119.914 0.124 0.000 2.332 472 V HA -0.233 3.888 4.120 0.001 0.000 0.248 472 V C 2.572 178.730 176.094 0.107 0.000 1.055 472 V CA 2.163 64.528 62.300 0.109 0.000 1.038 472 V CB -0.777 31.108 31.823 0.103 0.000 0.651 472 V HN 0.507 nan 8.190 nan 0.000 0.450 473 E N -0.549 119.704 120.200 0.088 0.000 2.085 473 E HA -0.246 4.105 4.350 0.001 0.000 0.194 473 E C 2.021 178.678 176.600 0.095 0.000 0.994 473 E CA 1.697 58.136 56.400 0.064 0.000 0.801 473 E CB -0.486 29.241 29.700 0.045 0.000 0.743 473 E HN 0.782 nan 8.360 nan 0.000 0.453 474 Y N 1.542 121.853 120.300 0.019 0.000 2.097 474 Y HA -0.208 4.343 4.550 0.001 0.000 0.282 474 Y C 2.241 178.190 175.900 0.081 0.000 1.152 474 Y CA 1.566 59.684 58.100 0.029 0.000 1.136 474 Y CB -0.605 37.858 38.460 0.004 0.000 0.975 474 Y HN -0.063 nan 8.280 nan 0.000 0.498 475 L N 0.197 121.363 121.223 -0.095 0.000 2.042 475 L HA -0.260 4.080 4.340 0.001 0.000 0.210 475 L C 2.570 179.555 176.870 0.191 0.000 1.076 475 L CA 1.796 56.566 54.840 -0.117 0.000 0.749 475 L CB -0.583 41.395 42.059 -0.135 0.000 0.893 475 L HN 0.194 nan 8.230 nan 0.000 0.432 476 K N -0.094 120.406 120.400 0.168 0.000 2.032 476 K HA -0.167 4.154 4.320 0.001 0.000 0.209 476 K C 2.228 178.867 176.600 0.064 0.000 1.048 476 K CA 1.382 57.769 56.287 0.165 0.000 0.927 476 K CB -0.104 32.383 32.500 -0.022 0.000 0.712 476 K HN 0.303 nan 8.250 nan 0.000 0.441 477 R N 0.467 120.963 120.500 -0.006 0.000 2.148 477 R HA -0.059 4.282 4.340 0.001 0.000 0.223 477 R C 1.732 177.995 176.300 -0.063 0.000 1.088 477 R CA 0.739 56.817 56.100 -0.038 0.000 0.985 477 R CB 0.047 30.331 30.300 -0.027 0.000 0.880 477 R HN 0.166 nan 8.270 nan 0.000 0.451 478 E N 0.976 121.119 120.200 -0.095 0.000 2.385 478 E HA -0.055 4.295 4.350 0.001 0.000 0.194 478 E C 0.466 177.058 176.600 -0.013 0.000 1.013 478 E CA 0.102 56.450 56.400 -0.087 0.000 0.866 478 E CB 0.078 29.625 29.700 -0.255 0.000 0.832 478 E HN 0.333 nan 8.360 nan 0.000 0.500 479 Q N 1.604 121.398 119.800 -0.011 0.000 2.354 479 Q HA -0.086 4.255 4.340 0.001 0.000 0.310 479 Q C -0.234 175.523 176.000 -0.405 0.000 1.104 479 Q CA 0.509 55.974 55.803 -0.564 0.000 0.968 479 Q CB 0.600 28.989 28.738 -0.583 0.000 1.251 479 Q HN -0.290 nan 8.270 nan 0.000 0.411 480 K N 4.095 124.198 120.400 -0.496 0.000 2.098 480 K HA 0.179 4.499 4.320 0.001 0.000 0.257 480 K C -1.866 174.565 176.600 -0.282 0.000 0.999 480 K CA -2.039 54.075 56.287 -0.289 0.000 0.924 480 K CB 0.567 32.929 32.500 -0.230 0.000 1.028 480 K HN 0.485 nan 8.250 nan 0.000 0.466 481 P HA -0.233 nan 4.420 nan 0.000 0.219 481 P C 0.356 177.579 177.300 -0.128 0.000 1.158 481 P CA 1.651 64.675 63.100 -0.127 0.000 0.895 481 P CB 0.118 31.768 31.700 -0.082 0.000 0.792 482 D N -1.909 118.407 120.400 -0.141 0.000 2.323 482 D HA 0.062 4.702 4.640 0.001 0.000 0.239 482 D C 1.207 177.397 176.300 -0.184 0.000 1.129 482 D CA 0.620 54.579 54.000 -0.067 0.000 0.865 482 D CB -1.136 39.706 40.800 0.070 0.000 0.913 482 D HN 0.286 nan 8.370 nan 0.000 0.517 483 G N 0.564 109.170 108.800 -0.324 0.000 2.153 483 G HA2 -0.301 3.660 3.960 0.001 0.000 0.252 483 G HA3 -0.301 3.660 3.960 0.001 0.000 0.252 483 G C 0.360 174.801 174.900 -0.764 0.000 0.994 483 G CA 0.640 45.461 45.100 -0.465 0.000 0.698 483 G HN 0.777 nan 8.290 nan 0.000 0.521 484 S N -1.068 114.101 115.700 -0.885 0.000 2.722 484 S HA 0.826 5.297 4.470 0.001 0.000 0.292 484 S C -0.354 173.850 174.600 -0.660 0.000 1.135 484 S CA -0.889 56.731 58.200 -0.966 0.000 1.003 484 S CB 1.971 64.296 63.200 -1.459 0.000 1.067 484 S HN 0.499 nan 8.310 nan 0.000 0.546 485 W N 0.897 122.055 121.300 -0.238 0.000 2.683 485 W HA 0.404 5.065 4.660 0.001 0.000 0.329 485 W C -0.626 175.818 176.519 -0.126 0.000 1.037 485 W CA -1.616 55.654 57.345 -0.125 0.000 1.232 485 W CB 1.541 30.894 29.460 -0.179 0.000 1.390 485 W HN 0.757 nan 8.180 nan 0.000 0.465 486 F N 2.100 122.021 119.950 -0.049 0.000 2.628 486 F HA 0.314 4.842 4.527 0.001 0.000 0.362 486 F C 0.839 176.500 175.800 -0.232 0.000 1.148 486 F CA 0.843 58.636 58.000 -0.344 0.000 1.352 486 F CB 0.651 39.563 39.000 -0.146 0.000 1.081 486 F HN 0.282 nan 8.300 nan 0.000 0.605 487 G N 5.471 113.642 108.800 -1.048 0.000 2.716 487 G HA2 0.343 4.304 3.960 0.001 0.000 0.333 487 G HA3 0.343 4.304 3.960 0.001 0.000 0.333 487 G C 0.379 174.835 174.900 -0.740 0.000 1.168 487 G CA -0.615 44.141 45.100 -0.573 0.000 1.064 487 G HN 0.776 nan 8.290 nan 0.000 0.479 488 R N 2.348 122.572 120.500 -0.459 0.000 2.062 488 R HA -0.004 4.337 4.340 0.001 0.000 0.231 488 R C 0.830 176.850 176.300 -0.466 0.000 1.136 488 R CA 1.309 57.169 56.100 -0.400 0.000 0.948 488 R CB -0.214 29.976 30.300 -0.183 0.000 0.845 488 R HN 0.614 nan 8.270 nan 0.000 0.430 489 W N -0.256 121.046 121.300 0.003 0.000 3.067 489 W HA 0.531 5.192 4.660 0.001 0.000 0.417 489 W C -0.135 176.270 176.519 -0.189 0.000 1.029 489 W CA 0.074 57.382 57.345 -0.061 0.000 1.992 489 W CB 0.844 30.268 29.460 -0.059 0.000 1.122 489 W HN 0.238 nan 8.180 nan 0.000 0.681 490 G N -0.105 108.610 108.800 -0.142 0.000 2.750 490 G HA2 0.354 4.314 3.960 0.001 0.000 0.298 490 G HA3 0.354 4.314 3.960 0.001 0.000 0.298 490 G C -1.372 173.391 174.900 -0.229 0.000 1.412 490 G CA -0.890 43.798 45.100 -0.688 0.000 1.078 490 G HN -0.215 nan 8.290 nan 0.000 0.573 491 V N 3.036 122.986 119.914 0.059 0.000 2.390 491 V HA 0.235 4.355 4.120 0.001 0.000 0.260 491 V C 0.610 176.836 176.094 0.220 0.000 1.043 491 V CA 0.315 62.743 62.300 0.214 0.000 1.047 491 V CB 0.322 32.297 31.823 0.253 0.000 1.066 491 V HN 0.861 nan 8.190 nan 0.000 0.481 492 N N 3.606 122.371 118.700 0.109 0.000 2.714 492 N HA 0.038 4.778 4.740 0.001 0.000 0.312 492 N C 1.097 176.457 175.510 -0.250 0.000 1.297 492 N CA 0.010 52.950 53.050 -0.183 0.000 1.582 492 N CB -0.106 38.085 38.487 -0.493 0.000 0.778 492 N HN 0.280 nan 8.380 nan 0.000 1.341 493 Y N 1.967 122.234 120.300 -0.055 0.000 2.373 493 Y HA 0.247 4.798 4.550 0.001 0.000 0.293 493 Y C 2.260 178.133 175.900 -0.046 0.000 1.129 493 Y CA 0.879 58.918 58.100 -0.101 0.000 1.226 493 Y CB -0.037 38.343 38.460 -0.134 0.000 1.000 493 Y HN 0.167 nan 8.280 nan 0.000 0.549 494 L N -1.903 119.497 121.223 0.295 0.000 2.109 494 L HA -0.207 4.134 4.340 0.001 0.000 0.207 494 L C 2.190 179.143 176.870 0.139 0.000 1.086 494 L CA 1.026 56.047 54.840 0.301 0.000 0.760 494 L CB -0.518 41.752 42.059 0.351 0.000 0.910 494 L HN 0.227 nan 8.230 nan 0.000 0.437 495 Y N 0.689 120.914 120.300 -0.125 0.000 2.163 495 Y HA -0.127 4.423 4.550 0.001 0.000 0.288 495 Y C 2.233 177.815 175.900 -0.530 0.000 1.136 495 Y CA 1.470 59.173 58.100 -0.661 0.000 1.147 495 Y CB -0.688 37.282 38.460 -0.815 0.000 0.987 495 Y HN 0.036 nan 8.280 nan 0.000 0.509 496 G N -1.285 107.261 108.800 -0.423 0.000 2.404 496 G HA2 -0.199 3.762 3.960 0.001 0.000 0.214 496 G HA3 -0.199 3.762 3.960 0.001 0.000 0.214 496 G C 1.658 176.395 174.900 -0.271 0.000 1.189 496 G CA 1.301 46.143 45.100 -0.430 0.000 0.789 496 G HN 0.405 nan 8.290 nan 0.000 0.533 497 T N 1.158 115.663 114.554 -0.080 0.000 2.720 497 T HA -0.074 4.276 4.350 0.001 0.000 0.268 497 T C 2.475 177.133 174.700 -0.069 0.000 1.037 497 T CA 1.534 63.680 62.100 0.077 0.000 1.144 497 T CB -0.628 68.249 68.868 0.015 0.000 0.864 497 T HN 0.353 nan 8.240 nan 0.000 0.444 498 G N 1.176 109.889 108.800 -0.145 0.000 2.446 498 G HA2 -0.092 3.869 3.960 0.001 0.000 0.217 498 G HA3 -0.092 3.869 3.960 0.001 0.000 0.217 498 G C 1.827 176.574 174.900 -0.256 0.000 1.168 498 G CA 1.015 46.014 45.100 -0.169 0.000 0.771 498 G HN 0.593 nan 8.290 nan 0.000 0.551 499 A N 0.103 122.664 122.820 -0.432 0.000 1.858 499 A HA 0.060 4.381 4.320 0.001 0.000 0.216 499 A C 2.638 179.981 177.584 -0.403 0.000 1.190 499 A CA 2.020 53.791 52.037 -0.443 0.000 0.617 499 A CB -0.867 17.698 19.000 -0.724 0.000 0.827 499 A HN 0.287 nan 8.150 nan 0.000 0.443 500 V N -0.154 119.450 119.914 -0.516 0.000 2.252 500 V HA -0.291 3.829 4.120 0.001 0.000 0.249 500 V C 2.598 178.392 176.094 -0.500 0.000 1.056 500 V CA 2.269 64.160 62.300 -0.683 0.000 1.022 500 V CB -1.047 29.964 31.823 -1.353 0.000 0.641 500 V HN 0.379 nan 8.190 nan 0.000 0.445 501 V N -0.355 119.352 119.914 -0.345 0.000 2.295 501 V HA -0.274 3.846 4.120 0.001 0.000 0.246 501 V C 2.680 178.679 176.094 -0.159 0.000 1.049 501 V CA 2.369 64.550 62.300 -0.197 0.000 1.024 501 V CB -0.882 30.896 31.823 -0.074 0.000 0.648 501 V HN 0.629 nan 8.190 nan 0.000 0.447 502 S N -0.244 115.371 115.700 -0.142 0.000 2.374 502 S HA -0.245 4.226 4.470 0.001 0.000 0.227 502 S C 2.052 176.577 174.600 -0.126 0.000 1.037 502 S CA 1.891 60.035 58.200 -0.095 0.000 1.024 502 S CB -0.345 62.824 63.200 -0.053 0.000 0.861 502 S HN 0.634 nan 8.310 nan 0.000 0.456 503 A N 1.698 124.409 122.820 -0.183 0.000 1.832 503 A HA 0.087 4.408 4.320 0.001 0.000 0.214 503 A C 2.206 179.694 177.584 -0.160 0.000 1.200 503 A CA 1.496 53.411 52.037 -0.202 0.000 0.610 503 A CB -1.144 17.706 19.000 -0.250 0.000 0.842 503 A HN 0.554 nan 8.150 nan 0.000 0.444 504 L N -0.408 120.713 121.223 -0.170 0.000 2.137 504 L HA -0.264 4.077 4.340 0.001 0.000 0.213 504 L C 2.662 179.493 176.870 -0.066 0.000 1.085 504 L CA 1.797 56.572 54.840 -0.107 0.000 0.760 504 L CB -0.545 41.431 42.059 -0.138 0.000 0.893 504 L HN 0.364 nan 8.230 nan 0.000 0.434 505 K N 0.631 120.983 120.400 -0.079 0.000 2.097 505 K HA -0.112 4.208 4.320 0.001 0.000 0.205 505 K C 2.004 178.581 176.600 -0.039 0.000 1.050 505 K CA 1.552 57.811 56.287 -0.048 0.000 0.938 505 K CB -0.066 32.406 32.500 -0.046 0.000 0.718 505 K HN 0.301 nan 8.250 nan 0.000 0.442 506 A N 0.652 123.432 122.820 -0.068 0.000 2.016 506 A HA -0.047 4.274 4.320 0.001 0.000 0.217 506 A C 1.756 179.323 177.584 -0.028 0.000 1.162 506 A CA 1.196 53.188 52.037 -0.076 0.000 0.662 506 A CB -0.215 18.685 19.000 -0.167 0.000 0.812 506 A HN 0.156 nan 8.150 nan 0.000 0.450 507 V N -3.697 116.214 119.914 -0.004 0.000 3.499 507 V HA 0.549 4.670 4.120 0.001 0.000 0.308 507 V C 1.282 177.424 176.094 0.080 0.000 1.319 507 V CA 0.559 62.900 62.300 0.068 0.000 1.194 507 V CB -1.002 30.874 31.823 0.088 0.000 1.072 507 V HN 1.213 nan 8.190 nan 0.000 0.426 508 G N 0.372 109.203 108.800 0.050 0.000 2.299 508 G HA2 -0.249 3.712 3.960 0.001 0.000 0.237 508 G HA3 -0.249 3.712 3.960 0.001 0.000 0.237 508 G C 0.158 175.090 174.900 0.053 0.000 1.027 508 G CA 0.024 45.156 45.100 0.054 0.000 0.619 508 G HN 0.453 nan 8.290 nan 0.000 0.513 509 I N 1.978 122.583 120.570 0.059 0.000 3.160 509 I HA 0.035 4.205 4.170 0.001 0.000 0.311 509 I C 0.649 176.799 176.117 0.054 0.000 1.218 509 I CA 0.408 61.751 61.300 0.073 0.000 1.440 509 I CB -0.000 38.047 38.000 0.078 0.000 1.310 509 I HN 0.358 nan 8.210 nan 0.000 0.575 510 D N 3.061 123.505 120.400 0.073 0.000 2.339 510 D HA 0.141 4.782 4.640 0.001 0.000 0.241 510 D C 1.361 177.683 176.300 0.037 0.000 1.183 510 D CA -0.170 53.864 54.000 0.056 0.000 0.859 510 D CB 0.901 41.743 40.800 0.070 0.000 1.067 510 D HN 0.664 nan 8.370 nan 0.000 0.484 511 T N 1.660 116.221 114.554 0.012 0.000 2.849 511 T HA -0.226 4.125 4.350 0.001 0.000 0.270 511 T C 1.607 176.310 174.700 0.004 0.000 1.066 511 T CA 0.890 62.984 62.100 -0.011 0.000 1.130 511 T CB -0.147 68.718 68.868 -0.005 0.000 0.864 511 T HN 0.409 nan 8.240 nan 0.000 0.481 512 R N 1.200 121.717 120.500 0.029 0.000 2.280 512 R HA 0.131 4.472 4.340 0.001 0.000 0.207 512 R C 0.912 177.250 176.300 0.062 0.000 1.043 512 R CA 0.262 56.387 56.100 0.041 0.000 1.006 512 R CB -0.154 30.172 30.300 0.043 0.000 0.885 512 R HN 0.554 nan 8.270 nan 0.000 0.467 513 E N 0.784 121.036 120.200 0.086 0.000 2.461 513 E HA -0.077 4.274 4.350 0.001 0.000 0.263 513 E C -1.721 174.977 176.600 0.164 0.000 1.143 513 E CA -0.847 55.653 56.400 0.166 0.000 0.994 513 E CB 0.167 30.065 29.700 0.330 0.000 0.973 513 E HN -0.093 nan 8.360 nan 0.000 0.457 514 P HA -0.169 nan 4.420 nan 0.000 0.210 514 P C 1.459 178.888 177.300 0.214 0.000 1.191 514 P CA 1.575 64.781 63.100 0.178 0.000 0.917 514 P CB -0.283 31.506 31.700 0.148 0.000 0.778 515 Y N -0.505 119.813 120.300 0.030 0.000 2.241 515 Y HA -0.183 4.368 4.550 0.001 0.000 0.286 515 Y C 1.841 177.781 175.900 0.066 0.000 1.166 515 Y CA 0.697 58.808 58.100 0.018 0.000 1.203 515 Y CB -2.118 36.362 38.460 0.033 0.000 0.977 515 Y HN -0.101 nan 8.280 nan 0.000 0.529 516 I N 0.587 120.909 120.570 -0.413 0.000 2.163 516 I HA -0.225 3.946 4.170 0.001 0.000 0.240 516 I C 2.431 178.503 176.117 -0.075 0.000 1.081 516 I CA 1.347 62.449 61.300 -0.330 0.000 1.353 516 I CB -1.341 36.472 38.000 -0.311 0.000 1.054 516 I HN 0.310 nan 8.210 nan 0.000 0.407 517 Q N 0.878 120.668 119.800 -0.017 0.000 2.050 517 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 517 Q C 2.225 178.254 176.000 0.049 0.000 0.980 517 Q CA 1.424 57.245 55.803 0.030 0.000 0.840 517 Q CB -0.478 28.288 28.738 0.046 0.000 0.898 517 Q HN 0.484 nan 8.270 nan 0.000 0.424 518 K N 0.179 120.605 120.400 0.044 0.000 2.152 518 K HA -0.142 4.178 4.320 0.001 0.000 0.206 518 K C 1.886 178.518 176.600 0.054 0.000 1.048 518 K CA 1.174 57.489 56.287 0.047 0.000 0.933 518 K CB 0.009 32.523 32.500 0.024 0.000 0.721 518 K HN 0.164 nan 8.250 nan 0.000 0.447 519 A N 1.009 123.836 122.820 0.013 0.000 1.855 519 A HA -0.052 4.268 4.320 0.001 0.000 0.213 519 A C 2.048 179.734 177.584 0.170 0.000 1.195 519 A CA 0.883 52.938 52.037 0.030 0.000 0.610 519 A CB -0.601 18.420 19.000 0.035 0.000 0.837 519 A HN 0.268 nan 8.150 nan 0.000 0.444 520 L N -0.115 121.181 121.223 0.122 0.000 2.021 520 L HA -0.299 4.042 4.340 0.001 0.000 0.215 520 L C 2.299 179.273 176.870 0.173 0.000 1.074 520 L CA 1.831 56.747 54.840 0.128 0.000 0.760 520 L CB -0.832 41.275 42.059 0.081 0.000 0.889 520 L HN 0.373 nan 8.230 nan 0.000 0.433 521 D N -0.874 119.623 120.400 0.161 0.000 2.103 521 D HA -0.273 4.368 4.640 0.001 0.000 0.190 521 D C 1.638 178.073 176.300 0.225 0.000 0.997 521 D CA 1.498 55.594 54.000 0.160 0.000 0.833 521 D CB -0.475 40.401 40.800 0.127 0.000 0.961 521 D HN 0.453 nan 8.370 nan 0.000 0.447 522 W N 1.565 122.913 121.300 0.080 0.000 2.292 522 W HA -0.290 4.370 4.660 0.001 0.000 0.304 522 W C 2.112 178.766 176.519 0.224 0.000 1.228 522 W CA 1.601 59.024 57.345 0.131 0.000 1.241 522 W CB -0.269 29.207 29.460 0.027 0.000 1.142 522 W HN -0.194 nan 8.180 nan 0.000 0.520 523 V N 0.681 120.840 119.914 0.408 0.000 2.270 523 V HA -0.300 3.821 4.120 0.001 0.000 0.245 523 V C 2.183 178.487 176.094 0.349 0.000 1.043 523 V CA 2.434 64.888 62.300 0.256 0.000 1.014 523 V CB -0.934 30.978 31.823 0.148 0.000 0.645 523 V HN 0.185 nan 8.190 nan 0.000 0.447 524 E N -0.244 120.135 120.200 0.298 0.000 2.118 524 E HA -0.303 4.048 4.350 0.001 0.000 0.195 524 E C 2.253 178.935 176.600 0.137 0.000 0.992 524 E CA 1.420 57.998 56.400 0.296 0.000 0.804 524 E CB -0.197 29.610 29.700 0.178 0.000 0.741 524 E HN 0.674 nan 8.360 nan 0.000 0.458 525 Q N -0.267 119.558 119.800 0.043 0.000 2.291 525 Q HA -0.146 4.195 4.340 0.001 0.000 0.206 525 Q C 0.824 176.619 176.000 -0.341 0.000 0.976 525 Q CA 1.035 56.748 55.803 -0.150 0.000 0.875 525 Q CB -0.010 28.606 28.738 -0.204 0.000 0.927 525 Q HN 0.433 nan 8.270 nan 0.000 0.450 526 H N -0.721 118.204 119.070 -0.243 0.000 2.505 526 H HA 0.167 4.723 4.556 0.001 0.000 0.286 526 H C -0.403 174.797 175.328 -0.213 0.000 1.072 526 H CA -0.235 55.664 56.048 -0.248 0.000 1.141 526 H CB 0.150 29.669 29.762 -0.406 0.000 1.550 526 H HN 0.126 nan 8.280 nan 0.000 0.547 527 Q N 1.830 121.448 119.800 -0.304 0.000 2.286 527 Q HA 0.022 4.363 4.340 0.001 0.000 0.267 527 Q C -0.334 175.323 176.000 -0.572 0.000 1.028 527 Q CA -0.506 54.722 55.803 -0.959 0.000 0.901 527 Q CB 0.482 28.651 28.738 -0.948 0.000 1.183 527 Q HN 0.345 nan 8.270 nan 0.000 0.392 528 N N 5.397 123.782 118.700 -0.526 0.000 2.453 528 N HA 0.024 4.765 4.740 0.001 0.000 0.253 528 N C -1.688 173.664 175.510 -0.263 0.000 1.252 528 N CA -1.115 51.760 53.050 -0.292 0.000 0.917 528 N CB 0.536 38.905 38.487 -0.197 0.000 1.117 528 N HN 0.554 nan 8.380 nan 0.000 0.442 529 P HA -0.198 nan 4.420 nan 0.000 0.216 529 P C 0.284 177.530 177.300 -0.089 0.000 1.150 529 P CA 1.532 64.559 63.100 -0.122 0.000 0.843 529 P CB 0.031 31.681 31.700 -0.082 0.000 0.787 530 D N -1.669 118.704 120.400 -0.045 0.000 2.390 530 D HA 0.074 4.715 4.640 0.001 0.000 0.235 530 D C 1.486 177.844 176.300 0.096 0.000 1.040 530 D CA 0.961 54.988 54.000 0.044 0.000 0.923 530 D CB -0.731 40.146 40.800 0.129 0.000 0.886 530 D HN 0.349 nan 8.370 nan 0.000 0.532 531 G N -1.168 107.587 108.800 -0.074 0.000 2.527 531 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 531 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 531 G C 0.704 175.376 174.900 -0.380 0.000 1.177 531 G CA -0.067 44.956 45.100 -0.128 0.000 0.695 531 G HN 0.848 nan 8.290 nan 0.000 0.517 532 G N -1.060 107.483 108.800 -0.428 0.000 2.557 532 G HA2 0.502 4.463 3.960 0.001 0.000 0.292 532 G HA3 0.502 4.463 3.960 0.001 0.000 0.292 532 G C -0.115 174.437 174.900 -0.581 0.000 1.237 532 G CA -0.286 44.371 45.100 -0.738 0.000 0.978 532 G HN 0.324 nan 8.290 nan 0.000 0.498 533 W N -1.279 119.807 121.300 -0.356 0.000 2.655 533 W HA 0.632 5.293 4.660 0.001 0.000 0.358 533 W C 0.224 176.632 176.519 -0.184 0.000 1.100 533 W CA -0.485 56.743 57.345 -0.195 0.000 1.195 533 W CB 2.316 31.708 29.460 -0.114 0.000 1.403 533 W HN 0.823 nan 8.180 nan 0.000 0.589 534 G N 0.795 109.677 108.800 0.138 0.000 2.673 534 G HA2 0.465 4.425 3.960 0.001 0.000 0.292 534 G HA3 0.465 4.425 3.960 0.001 0.000 0.292 534 G C -2.074 172.874 174.900 0.081 0.000 1.450 534 G CA -0.623 44.504 45.100 0.045 0.000 0.837 534 G HN 0.362 nan 8.290 nan 0.000 0.505 535 E N 0.838 121.066 120.200 0.047 0.000 2.404 535 E HA 0.282 4.632 4.350 0.001 0.000 0.298 535 E C -1.524 175.062 176.600 -0.024 0.000 0.908 535 E CA -0.616 55.829 56.400 0.075 0.000 0.808 535 E CB 1.586 31.383 29.700 0.162 0.000 1.380 535 E HN 0.443 nan 8.360 nan 0.000 0.392 536 D N 2.251 122.598 120.400 -0.087 0.000 2.382 536 D HA 0.017 4.658 4.640 0.001 0.000 0.240 536 D C 0.668 176.779 176.300 -0.315 0.000 1.146 536 D CA -0.123 53.727 54.000 -0.248 0.000 0.897 536 D CB 0.907 41.502 40.800 -0.341 0.000 1.197 536 D HN 0.515 nan 8.370 nan 0.000 0.432 537 C N 2.329 121.299 119.300 -0.550 0.000 2.430 537 C HA -0.030 4.431 4.460 0.001 0.000 0.288 537 C C 2.220 176.910 174.990 -0.499 0.000 1.448 537 C CA 0.194 58.772 59.018 -0.733 0.000 1.784 537 C CB -1.183 25.430 27.740 -1.877 0.000 1.776 537 C HN 0.614 nan 8.230 nan 0.000 0.547 538 R N 1.379 121.605 120.500 -0.457 0.000 2.285 538 R HA -0.087 4.254 4.340 0.001 0.000 0.213 538 R C 2.148 178.428 176.300 -0.033 0.000 1.068 538 R CA 1.424 57.368 56.100 -0.260 0.000 1.004 538 R CB -0.276 29.616 30.300 -0.680 0.000 0.873 538 R HN 0.716 nan 8.270 nan 0.000 0.467 539 S N -0.486 115.189 115.700 -0.042 0.000 2.537 539 S HA -0.126 4.344 4.470 0.001 0.000 0.240 539 S C 1.224 175.859 174.600 0.059 0.000 0.981 539 S CA 0.709 58.962 58.200 0.089 0.000 0.948 539 S CB -0.235 63.011 63.200 0.077 0.000 0.759 539 S HN 0.330 nan 8.310 nan 0.000 0.531 540 Y N 1.459 121.894 120.300 0.226 0.000 2.448 540 Y HA 0.262 4.813 4.550 0.001 0.000 0.289 540 Y C 2.586 178.629 175.900 0.239 0.000 1.114 540 Y CA 0.485 58.754 58.100 0.281 0.000 1.235 540 Y CB 0.040 38.681 38.460 0.303 0.000 1.045 540 Y HN 0.248 nan 8.280 nan 0.000 0.554 541 E N -0.132 120.264 120.200 0.327 0.000 2.065 541 E HA -0.053 4.297 4.350 0.001 0.000 0.191 541 E C -0.046 176.683 176.600 0.215 0.000 0.960 541 E CA 0.784 57.334 56.400 0.250 0.000 0.824 541 E CB -0.163 29.674 29.700 0.227 0.000 0.793 541 E HN 0.235 nan 8.360 nan 0.000 0.459 542 D N 1.523 122.066 120.400 0.238 0.000 2.414 542 D HA 0.091 4.732 4.640 0.001 0.000 0.232 542 D C -1.809 174.625 176.300 0.222 0.000 1.070 542 D CA -2.350 51.788 54.000 0.229 0.000 0.839 542 D CB 1.598 42.570 40.800 0.285 0.000 1.079 542 D HN -0.217 nan 8.370 nan 0.000 0.521 543 P HA -0.188 nan 4.420 nan 0.000 0.224 543 P C 0.924 178.260 177.300 0.061 0.000 1.142 543 P CA 0.669 63.827 63.100 0.098 0.000 0.778 543 P CB 0.211 31.945 31.700 0.058 0.000 0.764 544 A N -1.343 121.504 122.820 0.046 0.000 2.066 544 A HA -0.127 4.193 4.320 0.001 0.000 0.218 544 A C 1.745 179.267 177.584 -0.104 0.000 1.157 544 A CA 0.801 52.803 52.037 -0.059 0.000 0.670 544 A CB -1.364 17.553 19.000 -0.139 0.000 0.804 544 A HN 0.123 nan 8.150 nan 0.000 0.453 545 Y N -0.227 120.101 120.300 0.047 0.000 2.511 545 Y HA 0.387 4.937 4.550 0.001 0.000 0.279 545 Y C 1.582 177.524 175.900 0.070 0.000 1.157 545 Y CA -0.275 57.853 58.100 0.048 0.000 1.300 545 Y CB -0.214 38.269 38.460 0.038 0.000 1.052 545 Y HN 0.276 nan 8.280 nan 0.000 0.529 546 A N 0.412 123.344 122.820 0.187 0.000 2.540 546 A HA 0.357 4.678 4.320 0.001 0.000 0.264 546 A C 1.661 179.348 177.584 0.173 0.000 1.080 546 A CA 1.058 53.179 52.037 0.139 0.000 0.776 546 A CB -1.122 17.750 19.000 -0.213 0.000 1.011 546 A HN 0.876 nan 8.150 nan 0.000 0.514 547 G N 2.264 111.201 108.800 0.228 0.000 2.225 547 G HA2 -0.242 3.718 3.960 0.001 0.000 0.254 547 G HA3 -0.242 3.718 3.960 0.001 0.000 0.254 547 G C 0.345 175.347 174.900 0.171 0.000 0.988 547 G CA 0.721 45.857 45.100 0.060 0.000 0.625 547 G HN 0.814 nan 8.290 nan 0.000 0.527 548 K N 0.602 121.122 120.400 0.200 0.000 2.110 548 K HA 0.626 4.947 4.320 0.001 0.000 0.263 548 K C 0.426 177.128 176.600 0.170 0.000 0.975 548 K CA 0.227 56.611 56.287 0.160 0.000 0.895 548 K CB 1.680 34.248 32.500 0.114 0.000 1.060 548 K HN 1.149 nan 8.250 nan 0.000 0.448 549 G N 0.168 109.019 108.800 0.085 0.000 2.345 549 G HA2 0.296 4.257 3.960 0.001 0.000 0.310 549 G HA3 0.296 4.257 3.960 0.001 0.000 0.310 549 G C -1.476 173.376 174.900 -0.082 0.000 1.476 549 G CA -0.675 44.423 45.100 -0.003 0.000 0.978 549 G HN 0.650 nan 8.290 nan 0.000 0.656 550 A N 0.633 123.332 122.820 -0.203 0.000 2.540 550 A HA 0.576 4.896 4.320 0.001 0.000 0.239 550 A C 1.129 178.660 177.584 -0.088 0.000 1.061 550 A CA 0.976 52.923 52.037 -0.150 0.000 0.758 550 A CB -0.052 18.802 19.000 -0.243 0.000 0.991 550 A HN 1.760 nan 8.150 nan 0.000 0.502 551 S N 1.108 116.815 115.700 0.011 0.000 2.549 551 S HA 0.432 4.903 4.470 0.001 0.000 0.283 551 S C 0.705 175.367 174.600 0.102 0.000 1.320 551 S CA 0.432 58.623 58.200 -0.016 0.000 1.058 551 S CB 0.322 63.443 63.200 -0.132 0.000 0.882 551 S HN 1.047 nan 8.310 nan 0.000 0.498 552 T N 0.578 115.141 114.554 0.016 0.000 2.907 552 T HA 0.494 4.845 4.350 0.001 0.000 0.292 552 T C -2.626 172.040 174.700 -0.056 0.000 1.043 552 T CA -2.165 59.982 62.100 0.079 0.000 1.003 552 T CB 1.716 70.621 68.868 0.063 0.000 1.084 552 T HN 0.111 nan 8.240 nan 0.000 0.483 553 P HA -0.143 nan 4.420 nan 0.000 0.215 553 P C 1.950 179.017 177.300 -0.388 0.000 1.153 553 P CA 1.557 64.532 63.100 -0.208 0.000 0.853 553 P CB -0.006 31.514 31.700 -0.300 0.000 0.788 554 S N -0.297 115.145 115.700 -0.429 0.000 2.338 554 S HA -0.227 4.243 4.470 0.001 0.000 0.218 554 S C 2.078 175.929 174.600 -1.249 0.000 1.032 554 S CA 1.035 58.749 58.200 -0.811 0.000 0.999 554 S CB -1.598 61.131 63.200 -0.784 0.000 0.905 554 S HN 0.158 nan 8.310 nan 0.000 0.439 555 Q N 0.634 119.894 119.800 -0.901 0.000 2.234 555 Q HA -0.074 4.266 4.340 0.001 0.000 0.206 555 Q C 2.247 178.101 176.000 -0.243 0.000 0.980 555 Q CA 1.753 57.252 55.803 -0.507 0.000 0.869 555 Q CB -0.604 28.053 28.738 -0.134 0.000 0.912 555 Q HN 0.646 nan 8.270 nan 0.000 0.436 556 T N 0.647 115.052 114.554 -0.248 0.000 2.770 556 T HA -0.095 4.255 4.350 0.001 0.000 0.263 556 T C 1.950 176.545 174.700 -0.175 0.000 1.039 556 T CA 1.106 63.156 62.100 -0.083 0.000 1.142 556 T CB -0.279 68.477 68.868 -0.188 0.000 0.868 556 T HN 0.404 nan 8.240 nan 0.000 0.435 557 A N 1.130 123.778 122.820 -0.287 0.000 1.917 557 A HA -0.137 4.184 4.320 0.001 0.000 0.219 557 A C 2.126 179.645 177.584 -0.108 0.000 1.182 557 A CA 1.440 53.345 52.037 -0.221 0.000 0.633 557 A CB -0.951 17.896 19.000 -0.255 0.000 0.819 557 A HN 0.574 nan 8.150 nan 0.000 0.448 558 W N -0.569 120.589 121.300 -0.237 0.000 2.354 558 W HA -0.030 4.630 4.660 0.001 0.000 0.315 558 W C 2.861 179.206 176.519 -0.290 0.000 1.206 558 W CA 0.819 58.014 57.345 -0.251 0.000 1.290 558 W CB -1.386 27.936 29.460 -0.231 0.000 1.152 558 W HN 0.432 nan 8.180 nan 0.000 0.489 559 A N -0.213 122.483 122.820 -0.207 0.000 1.972 559 A HA -0.129 4.192 4.320 0.001 0.000 0.219 559 A C 2.037 179.251 177.584 -0.617 0.000 1.169 559 A CA 1.418 53.086 52.037 -0.614 0.000 0.635 559 A CB -0.865 17.214 19.000 -1.536 0.000 0.810 559 A HN 0.186 nan 8.150 nan 0.000 0.446 560 L N -0.735 120.206 121.223 -0.470 0.000 2.141 560 L HA -0.049 4.292 4.340 0.001 0.000 0.209 560 L C 2.480 179.287 176.870 -0.106 0.000 1.094 560 L CA 1.631 56.317 54.840 -0.256 0.000 0.763 560 L CB -0.408 41.570 42.059 -0.134 0.000 0.908 560 L HN 0.415 nan 8.230 nan 0.000 0.437 561 M N -1.953 117.609 119.600 -0.063 0.000 2.200 561 M HA -0.095 4.386 4.480 0.001 0.000 0.265 561 M C 2.286 178.573 176.300 -0.023 0.000 1.066 561 M CA 1.378 56.678 55.300 -0.001 0.000 1.127 561 M CB -0.499 32.132 32.600 0.052 0.000 1.379 561 M HN 0.330 nan 8.290 nan 0.000 0.420 562 A N 0.883 123.667 122.820 -0.061 0.000 1.902 562 A HA -0.125 4.195 4.320 0.001 0.000 0.217 562 A C 2.112 179.679 177.584 -0.029 0.000 1.181 562 A CA 1.397 53.404 52.037 -0.050 0.000 0.623 562 A CB -0.914 18.054 19.000 -0.052 0.000 0.818 562 A HN 0.438 nan 8.150 nan 0.000 0.443 563 L N -0.603 120.591 121.223 -0.048 0.000 2.056 563 L HA -0.155 4.185 4.340 0.001 0.000 0.207 563 L C 2.498 179.391 176.870 0.038 0.000 1.078 563 L CA 1.220 56.063 54.840 0.005 0.000 0.749 563 L CB -0.537 41.529 42.059 0.010 0.000 0.901 563 L HN 0.374 nan 8.230 nan 0.000 0.433 564 I N -0.025 120.571 120.570 0.043 0.000 2.226 564 I HA -0.275 3.895 4.170 0.001 0.000 0.245 564 I C 2.813 178.952 176.117 0.036 0.000 1.100 564 I CA 1.138 62.479 61.300 0.068 0.000 1.374 564 I CB -0.491 37.561 38.000 0.087 0.000 1.057 564 I HN 0.209 nan 8.210 nan 0.000 0.413 565 A N 0.895 123.725 122.820 0.017 0.000 1.902 565 A HA -0.091 4.230 4.320 0.001 0.000 0.217 565 A C 2.210 179.793 177.584 -0.001 0.000 1.181 565 A CA 1.711 53.748 52.037 0.001 0.000 0.623 565 A CB -1.251 17.737 19.000 -0.020 0.000 0.818 565 A HN 0.460 nan 8.150 nan 0.000 0.443 566 G N -1.780 107.023 108.800 0.004 0.000 3.234 566 G HA2 0.371 4.331 3.960 0.001 0.000 0.221 566 G HA3 0.371 4.331 3.960 0.001 0.000 0.221 566 G C 1.184 176.097 174.900 0.022 0.000 1.229 566 G CA 0.509 45.613 45.100 0.008 0.000 0.909 566 G HN 1.593 nan 8.290 nan 0.000 0.510 567 G N 0.478 109.293 108.800 0.025 0.000 2.257 567 G HA2 -0.347 3.613 3.960 0.001 0.000 0.267 567 G HA3 -0.347 3.613 3.960 0.001 0.000 0.267 567 G C 1.153 176.080 174.900 0.045 0.000 0.984 567 G CA 0.410 45.528 45.100 0.031 0.000 0.626 567 G HN 0.583 nan 8.290 nan 0.000 0.540 568 R N 0.674 121.208 120.500 0.057 0.000 2.535 568 R HA 0.487 4.827 4.340 0.001 0.000 0.233 568 R C 2.513 178.879 176.300 0.110 0.000 1.202 568 R CA 0.507 56.654 56.100 0.078 0.000 1.205 568 R CB -0.227 30.123 30.300 0.083 0.000 1.153 568 R HN 0.492 nan 8.270 nan 0.000 0.512 569 A N 1.679 124.563 122.820 0.107 0.000 1.859 569 A HA -0.197 4.123 4.320 0.001 0.000 0.217 569 A C 0.968 178.686 177.584 0.224 0.000 1.198 569 A CA 1.141 53.279 52.037 0.168 0.000 0.629 569 A CB -0.092 18.945 19.000 0.061 0.000 0.830 569 A HN 0.364 nan 8.150 nan 0.000 0.446 570 E N 0.608 120.885 120.200 0.128 0.000 1.802 570 E HA 0.343 4.693 4.350 0.001 0.000 0.265 570 E C -0.537 176.140 176.600 0.128 0.000 1.168 570 E CA -0.184 56.296 56.400 0.133 0.000 1.033 570 E CB 0.113 29.858 29.700 0.074 0.000 1.095 570 E HN 0.340 nan 8.360 nan 0.000 0.436 571 S N 1.529 117.324 115.700 0.158 0.000 2.627 571 S HA 0.172 4.642 4.470 0.001 0.000 0.283 571 S C 0.675 175.349 174.600 0.123 0.000 1.127 571 S CA -0.668 57.608 58.200 0.127 0.000 0.863 571 S CB 1.735 65.015 63.200 0.133 0.000 1.121 571 S HN 0.367 nan 8.310 nan 0.000 0.479 572 E N 2.203 122.459 120.200 0.094 0.000 2.015 572 E HA 0.066 4.416 4.350 0.001 0.000 0.191 572 E C 2.062 178.707 176.600 0.075 0.000 0.991 572 E CA 2.340 58.783 56.400 0.072 0.000 0.802 572 E CB -0.826 28.901 29.700 0.045 0.000 0.759 572 E HN 0.709 nan 8.360 nan 0.000 0.447 573 A N 1.068 123.943 122.820 0.092 0.000 1.892 573 A HA -0.197 4.124 4.320 0.001 0.000 0.218 573 A C 2.478 180.193 177.584 0.219 0.000 1.188 573 A CA 2.852 54.965 52.037 0.126 0.000 0.631 573 A CB -1.298 17.840 19.000 0.228 0.000 0.822 573 A HN 0.420 nan 8.150 nan 0.000 0.447 574 A N -0.490 122.460 122.820 0.217 0.000 1.858 574 A HA -0.177 4.143 4.320 0.001 0.000 0.216 574 A C 2.248 179.875 177.584 0.071 0.000 1.190 574 A CA 1.660 53.809 52.037 0.186 0.000 0.617 574 A CB -0.534 18.589 19.000 0.205 0.000 0.827 574 A HN 0.558 nan 8.150 nan 0.000 0.443 575 R N -0.890 119.672 120.500 0.102 0.000 2.083 575 R HA -0.122 4.218 4.340 0.001 0.000 0.237 575 R C 2.508 178.828 176.300 0.033 0.000 1.137 575 R CA 1.496 57.641 56.100 0.075 0.000 0.951 575 R CB -0.345 30.032 30.300 0.128 0.000 0.851 575 R HN 0.405 nan 8.270 nan 0.000 0.434 576 R N -0.200 120.325 120.500 0.042 0.000 2.094 576 R HA -0.124 4.217 4.340 0.001 0.000 0.239 576 R C 2.378 178.696 176.300 0.029 0.000 1.137 576 R CA 1.752 57.860 56.100 0.013 0.000 0.943 576 R CB -1.057 29.215 30.300 -0.047 0.000 0.850 576 R HN 0.404 nan 8.270 nan 0.000 0.433 577 G N 0.689 109.525 108.800 0.061 0.000 2.446 577 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 577 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 577 G C 1.613 176.582 174.900 0.113 0.000 1.168 577 G CA 1.019 46.216 45.100 0.161 0.000 0.771 577 G HN 0.179 nan 8.290 nan 0.000 0.551 578 V N 0.642 120.535 119.914 -0.035 0.000 2.332 578 V HA -0.264 3.857 4.120 0.001 0.000 0.248 578 V C 2.772 178.903 176.094 0.060 0.000 1.055 578 V CA 2.320 64.550 62.300 -0.116 0.000 1.038 578 V CB -0.614 30.934 31.823 -0.458 0.000 0.651 578 V HN 0.394 nan 8.190 nan 0.000 0.450 579 Q N -0.258 119.589 119.800 0.078 0.000 2.045 579 Q HA -0.269 4.072 4.340 0.001 0.000 0.206 579 Q C 2.091 178.181 176.000 0.150 0.000 0.991 579 Q CA 2.412 58.280 55.803 0.109 0.000 0.851 579 Q CB -0.841 27.946 28.738 0.082 0.000 0.911 579 Q HN 0.709 nan 8.270 nan 0.000 0.418 580 Y N 0.327 120.653 120.300 0.042 0.000 2.069 580 Y HA -0.289 4.262 4.550 0.001 0.000 0.278 580 Y C 1.797 177.781 175.900 0.140 0.000 1.175 580 Y CA 2.250 60.387 58.100 0.062 0.000 1.134 580 Y CB -0.505 37.973 38.460 0.030 0.000 0.965 580 Y HN 0.202 nan 8.280 nan 0.000 0.498 581 L N -1.148 120.366 121.223 0.486 0.000 2.131 581 L HA -0.222 4.119 4.340 0.001 0.000 0.210 581 L C 2.329 179.508 176.870 0.515 0.000 1.092 581 L CA 1.094 56.240 54.840 0.510 0.000 0.759 581 L CB -0.728 41.491 42.059 0.266 0.000 0.903 581 L HN 0.167 nan 8.230 nan 0.000 0.435 582 V N -0.210 119.880 119.914 0.294 0.000 2.427 582 V HA -0.215 3.905 4.120 0.001 0.000 0.248 582 V C 2.316 178.459 176.094 0.081 0.000 1.051 582 V CA 1.672 64.093 62.300 0.203 0.000 1.048 582 V CB -0.419 31.503 31.823 0.164 0.000 0.666 582 V HN 0.481 nan 8.190 nan 0.000 0.456 583 E N 0.713 120.931 120.200 0.030 0.000 2.021 583 E HA -0.154 4.197 4.350 0.001 0.000 0.189 583 E C 2.257 178.794 176.600 -0.105 0.000 0.980 583 E CA 1.634 58.001 56.400 -0.055 0.000 0.803 583 E CB -0.536 29.112 29.700 -0.088 0.000 0.766 583 E HN 0.718 nan 8.360 nan 0.000 0.449 584 T N -0.421 114.043 114.554 -0.151 0.000 3.052 584 T HA -0.201 4.150 4.350 0.001 0.000 0.270 584 T C 0.991 175.625 174.700 -0.110 0.000 1.147 584 T CA 0.388 62.408 62.100 -0.134 0.000 1.089 584 T CB -0.182 68.544 68.868 -0.236 0.000 0.875 584 T HN 0.054 nan 8.240 nan 0.000 0.541 585 Q N 1.128 120.782 119.800 -0.243 0.000 2.364 585 Q HA 0.170 4.511 4.340 0.001 0.000 0.267 585 Q C -0.077 175.620 176.000 -0.506 0.000 0.999 585 Q CA -0.541 54.785 55.803 -0.794 0.000 0.886 585 Q CB 0.617 28.837 28.738 -0.864 0.000 1.243 585 Q HN 0.467 nan 8.270 nan 0.000 0.415 586 R N 3.383 123.551 120.500 -0.553 0.000 2.583 586 R HA 0.134 4.475 4.340 0.001 0.000 0.268 586 R C -1.698 174.409 176.300 -0.321 0.000 1.101 586 R CA -1.568 54.324 56.100 -0.347 0.000 1.180 586 R CB 0.050 30.165 30.300 -0.308 0.000 1.128 586 R HN 0.576 nan 8.270 nan 0.000 0.568 587 P HA -0.147 nan 4.420 nan 0.000 0.218 587 P C 0.199 177.392 177.300 -0.179 0.000 1.149 587 P CA 1.255 64.252 63.100 -0.171 0.000 0.817 587 P CB 0.121 31.750 31.700 -0.118 0.000 0.785 588 D N -1.960 118.311 120.400 -0.214 0.000 2.312 588 D HA 0.007 4.648 4.640 0.001 0.000 0.211 588 D C 1.541 177.683 176.300 -0.264 0.000 0.964 588 D CA 1.373 55.258 54.000 -0.192 0.000 0.877 588 D CB -0.851 39.837 40.800 -0.187 0.000 0.924 588 D HN 0.254 nan 8.370 nan 0.000 0.515 589 G N -1.123 107.427 108.800 -0.417 0.000 2.316 589 G HA2 -0.110 3.850 3.960 0.001 0.000 0.203 589 G HA3 -0.110 3.850 3.960 0.001 0.000 0.203 589 G C 0.713 175.218 174.900 -0.659 0.000 0.999 589 G CA 0.017 44.862 45.100 -0.425 0.000 0.649 589 G HN 0.761 nan 8.290 nan 0.000 0.489 590 G N -1.373 106.854 108.800 -0.955 0.000 2.516 590 G HA2 0.480 4.440 3.960 0.001 0.000 0.276 590 G HA3 0.480 4.440 3.960 0.001 0.000 0.276 590 G C -0.248 174.472 174.900 -0.299 0.000 1.390 590 G CA -0.129 44.613 45.100 -0.597 0.000 1.050 590 G HN 0.311 nan 8.290 nan 0.000 0.519 591 W N -1.539 119.847 121.300 0.143 0.000 3.083 591 W HA 0.351 5.011 4.660 0.001 0.000 0.333 591 W C -1.123 175.407 176.519 0.019 0.000 1.217 591 W CA -0.454 56.916 57.345 0.042 0.000 1.170 591 W CB 2.251 31.736 29.460 0.043 0.000 1.437 591 W HN 0.379 nan 8.180 nan 0.000 0.557 592 D N 0.895 121.445 120.400 0.250 0.000 2.326 592 D HA 0.336 4.977 4.640 0.001 0.000 0.248 592 D C -0.925 175.454 176.300 0.133 0.000 1.001 592 D CA -0.216 53.868 54.000 0.139 0.000 0.961 592 D CB 2.277 43.125 40.800 0.079 0.000 1.183 592 D HN 0.320 nan 8.370 nan 0.000 0.502 593 E N 1.141 121.387 120.200 0.076 0.000 2.712 593 E HA 0.110 4.461 4.350 0.001 0.000 0.372 593 E C -2.272 174.333 176.600 0.010 0.000 1.058 593 E CA -0.965 55.481 56.400 0.076 0.000 0.747 593 E CB 1.304 31.059 29.700 0.092 0.000 1.596 593 E HN 0.092 nan 8.360 nan 0.000 0.380 594 P HA -0.006 nan 4.420 nan 0.000 0.247 594 P C -0.563 176.464 177.300 -0.456 0.000 1.225 594 P CA 0.384 63.291 63.100 -0.322 0.000 0.768 594 P CB -0.152 31.269 31.700 -0.465 0.000 1.020 595 Y N -1.097 119.260 120.300 0.094 0.000 2.587 595 Y HA 0.420 4.970 4.550 0.001 0.000 0.337 595 Y C 0.712 176.764 175.900 0.253 0.000 1.065 595 Y CA -1.332 56.822 58.100 0.091 0.000 1.126 595 Y CB 0.523 39.020 38.460 0.061 0.000 1.279 595 Y HN -0.210 nan 8.280 nan 0.000 0.489 596 Y N 0.432 120.872 120.300 0.233 0.000 2.310 596 Y HA 0.279 4.830 4.550 0.001 0.000 0.326 596 Y C 1.038 177.025 175.900 0.145 0.000 1.151 596 Y CA -1.184 57.010 58.100 0.157 0.000 1.195 596 Y CB 1.341 39.882 38.460 0.136 0.000 1.210 596 Y HN 0.667 nan 8.280 nan 0.000 0.483 597 T N -1.796 112.947 114.554 0.316 0.000 3.111 597 T HA 0.384 4.735 4.350 0.001 0.000 0.284 597 T C 0.474 175.371 174.700 0.328 0.000 0.983 597 T CA -0.058 62.220 62.100 0.298 0.000 0.900 597 T CB 0.062 69.054 68.868 0.207 0.000 1.132 597 T HN 0.668 nan 8.240 nan 0.000 0.531 598 G N 0.622 109.574 108.800 0.255 0.000 2.416 598 G HA2 0.564 4.524 3.960 0.001 0.000 0.329 598 G HA3 0.564 4.524 3.960 0.001 0.000 0.329 598 G C -1.002 173.997 174.900 0.165 0.000 1.173 598 G CA -0.549 44.665 45.100 0.191 0.000 0.929 598 G HN 0.178 nan 8.290 nan 0.000 0.475 599 T N 0.988 115.582 114.554 0.067 0.000 2.807 599 T HA 0.536 4.887 4.350 0.001 0.000 0.279 599 T C 1.173 175.778 174.700 -0.159 0.000 0.993 599 T CA 0.210 62.255 62.100 -0.091 0.000 0.970 599 T CB 1.890 70.614 68.868 -0.241 0.000 0.950 599 T HN 0.604 nan 8.240 nan 0.000 0.441 600 G N 1.706 110.314 108.800 -0.319 0.000 2.564 600 G HA2 0.301 4.262 3.960 0.001 0.000 0.212 600 G HA3 0.301 4.262 3.960 0.001 0.000 0.212 600 G C -0.393 174.091 174.900 -0.693 0.000 1.199 600 G CA 0.226 45.113 45.100 -0.356 0.000 0.832 600 G HN 0.539 nan 8.290 nan 0.000 0.565 601 F N 0.766 120.515 119.950 -0.336 0.000 2.557 601 F HA 0.486 5.014 4.527 0.001 0.000 0.316 601 F C -2.524 172.928 175.800 -0.580 0.000 1.141 601 F CA -3.310 54.446 58.000 -0.406 0.000 0.922 601 F CB 2.075 40.959 39.000 -0.193 0.000 1.194 601 F HN -0.153 nan 8.300 nan 0.000 0.443 602 P HA 0.167 nan 4.420 nan 0.000 0.261 602 P C 0.816 177.969 177.300 -0.245 0.000 1.183 602 P CA 1.396 64.164 63.100 -0.553 0.000 0.761 602 P CB 0.554 32.215 31.700 -0.065 0.000 0.785 603 G N 3.072 111.791 108.800 -0.136 0.000 2.220 603 G HA2 -0.272 3.689 3.960 0.001 0.000 0.269 603 G HA3 -0.272 3.689 3.960 0.001 0.000 0.269 603 G C 0.718 175.652 174.900 0.058 0.000 0.977 603 G CA 0.476 45.676 45.100 0.167 0.000 0.634 603 G HN 0.535 nan 8.290 nan 0.000 0.539 604 D N -1.850 118.449 120.400 -0.168 0.000 2.448 604 D HA 0.288 4.928 4.640 0.001 0.000 0.256 604 D C -0.250 176.094 176.300 0.073 0.000 1.108 604 D CA 0.198 54.076 54.000 -0.203 0.000 0.848 604 D CB 0.850 41.291 40.800 -0.597 0.000 1.281 604 D HN 0.299 nan 8.370 nan 0.000 0.509 605 F N 1.446 121.211 119.950 -0.308 0.000 2.722 605 F HA 0.317 4.844 4.527 0.001 0.000 0.336 605 F C -1.925 173.594 175.800 -0.469 0.000 1.216 605 F CA -0.806 57.121 58.000 -0.123 0.000 1.065 605 F CB 0.724 39.767 39.000 0.071 0.000 1.325 605 F HN -0.315 nan 8.300 nan 0.000 0.524 606 Y N 5.409 125.541 120.300 -0.280 0.000 2.509 606 Y HA 0.801 5.351 4.550 0.001 0.000 0.341 606 Y C -0.670 174.963 175.900 -0.446 0.000 1.038 606 Y CA -1.079 56.898 58.100 -0.204 0.000 1.089 606 Y CB 1.837 40.383 38.460 0.143 0.000 1.241 606 Y HN 0.420 nan 8.280 nan 0.000 0.468 607 L N 0.943 122.004 121.223 -0.271 0.000 2.354 607 L HA 0.835 5.176 4.340 0.001 0.000 0.264 607 L C 0.051 176.467 176.870 -0.756 0.000 1.008 607 L CA -1.139 53.361 54.840 -0.568 0.000 0.819 607 L CB 2.305 44.159 42.059 -0.341 0.000 1.339 607 L HN 0.837 nan 8.230 nan 0.000 0.420 608 G N 0.333 108.529 108.800 -1.006 0.000 2.522 608 G HA2 0.486 4.446 3.960 0.001 0.000 0.318 608 G HA3 0.486 4.446 3.960 0.001 0.000 0.318 608 G C -1.426 173.257 174.900 -0.362 0.000 1.192 608 G CA -0.188 44.511 45.100 -0.668 0.000 0.988 608 G HN 0.319 nan 8.290 nan 0.000 0.480 609 Y N 2.636 122.709 120.300 -0.379 0.000 2.600 609 Y HA 0.169 4.720 4.550 0.001 0.000 0.351 609 Y C 2.107 177.878 175.900 -0.215 0.000 1.042 609 Y CA -0.218 57.621 58.100 -0.435 0.000 1.333 609 Y CB 1.091 38.813 38.460 -1.230 0.000 1.172 609 Y HN 0.557 nan 8.280 nan 0.000 0.517 610 T N 2.529 117.066 114.554 -0.029 0.000 2.802 610 T HA -0.202 4.149 4.350 0.001 0.000 0.269 610 T C 1.863 176.634 174.700 0.118 0.000 1.062 610 T CA 1.460 63.582 62.100 0.038 0.000 1.133 610 T CB -0.068 68.805 68.868 0.008 0.000 0.852 610 T HN 0.512 nan 8.240 nan 0.000 0.485 611 M N -0.705 119.014 119.600 0.198 0.000 2.514 611 M HA 0.156 4.636 4.480 0.001 0.000 0.258 611 M C 1.588 178.069 176.300 0.302 0.000 1.119 611 M CA 0.534 55.996 55.300 0.269 0.000 1.111 611 M CB -0.839 31.903 32.600 0.238 0.000 1.390 611 M HN 0.222 nan 8.290 nan 0.000 0.475 612 Y N 2.007 122.412 120.300 0.175 0.000 2.151 612 Y HA -0.252 4.298 4.550 0.001 0.000 0.284 612 Y C 2.539 178.483 175.900 0.074 0.000 1.166 612 Y CA 1.734 59.986 58.100 0.254 0.000 1.163 612 Y CB -1.099 37.569 38.460 0.346 0.000 0.974 612 Y HN 0.398 nan 8.280 nan 0.000 0.511 613 R N -0.681 119.870 120.500 0.085 0.000 2.193 613 R HA -0.163 4.178 4.340 0.001 0.000 0.229 613 R C 1.320 177.561 176.300 -0.099 0.000 1.110 613 R CA 1.893 57.931 56.100 -0.104 0.000 0.988 613 R CB -0.683 29.512 30.300 -0.175 0.000 0.871 613 R HN 0.409 nan 8.270 nan 0.000 0.458 614 H N 0.020 119.221 119.070 0.218 0.000 2.460 614 H HA 0.156 4.712 4.556 0.001 0.000 0.297 614 H C 2.371 177.743 175.328 0.074 0.000 1.023 614 H CA 0.884 57.103 56.048 0.286 0.000 1.321 614 H CB -0.019 29.961 29.762 0.363 0.000 1.455 614 H HN 0.013 nan 8.280 nan 0.000 0.539 615 V N 1.095 121.035 119.914 0.042 0.000 2.270 615 V HA -0.198 3.923 4.120 0.001 0.000 0.245 615 V C 2.258 178.145 176.094 -0.346 0.000 1.043 615 V CA 1.622 63.775 62.300 -0.244 0.000 1.014 615 V CB -0.772 30.772 31.823 -0.465 0.000 0.645 615 V HN 0.099 nan 8.190 nan 0.000 0.447 616 F N 0.030 119.862 119.950 -0.197 0.000 2.186 616 F HA 0.006 4.533 4.527 0.001 0.000 0.299 616 F C 0.043 175.669 175.800 -0.289 0.000 1.090 616 F CA 1.284 59.143 58.000 -0.235 0.000 1.307 616 F CB -2.043 36.775 39.000 -0.304 0.000 1.019 616 F HN 0.268 nan 8.300 nan 0.000 0.489 617 P HA -0.108 nan 4.420 nan 0.000 0.216 617 P C 1.626 178.763 177.300 -0.272 0.000 1.153 617 P CA 2.057 64.852 63.100 -0.508 0.000 0.848 617 P CB -0.177 30.710 31.700 -1.354 0.000 0.787 618 T N -0.051 114.413 114.554 -0.149 0.000 2.746 618 T HA -0.152 4.199 4.350 0.001 0.000 0.267 618 T C 1.690 176.359 174.700 -0.052 0.000 1.039 618 T CA 1.059 63.153 62.100 -0.009 0.000 1.142 618 T CB -0.945 67.930 68.868 0.011 0.000 0.866 618 T HN 0.014 nan 8.240 nan 0.000 0.444 619 L N 1.279 122.440 121.223 -0.103 0.000 2.046 619 L HA 0.092 4.433 4.340 0.001 0.000 0.208 619 L C 2.577 179.437 176.870 -0.018 0.000 1.077 619 L CA 1.838 56.626 54.840 -0.086 0.000 0.747 619 L CB -0.874 41.112 42.059 -0.121 0.000 0.896 619 L HN 0.212 nan 8.230 nan 0.000 0.432 620 A N -0.542 122.274 122.820 -0.006 0.000 1.898 620 A HA -0.121 4.199 4.320 0.001 0.000 0.216 620 A C 2.236 179.821 177.584 0.001 0.000 1.181 620 A CA 1.817 53.855 52.037 0.003 0.000 0.620 620 A CB -0.853 18.128 19.000 -0.033 0.000 0.819 620 A HN 0.494 nan 8.150 nan 0.000 0.442 621 L N -0.749 120.464 121.223 -0.017 0.000 2.093 621 L HA -0.108 4.232 4.340 0.001 0.000 0.208 621 L C 2.764 179.635 176.870 0.001 0.000 1.085 621 L CA 1.037 55.872 54.840 -0.008 0.000 0.755 621 L CB -0.779 41.307 42.059 0.046 0.000 0.904 621 L HN 0.500 nan 8.230 nan 0.000 0.435 622 G N -0.345 108.461 108.800 0.010 0.000 2.443 622 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 622 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 622 G C 1.775 176.682 174.900 0.010 0.000 1.131 622 G CA 0.213 45.319 45.100 0.010 0.000 0.775 622 G HN 0.296 nan 8.290 nan 0.000 0.547 623 R N -1.515 119.000 120.500 0.025 0.000 2.161 623 R HA 0.097 4.438 4.340 0.001 0.000 0.213 623 R C 2.074 178.403 176.300 0.049 0.000 1.055 623 R CA 0.338 56.460 56.100 0.036 0.000 0.996 623 R CB -0.246 30.084 30.300 0.050 0.000 0.901 623 R HN 0.450 nan 8.270 nan 0.000 0.456 624 Y N 2.029 122.268 120.300 -0.102 0.000 2.153 624 Y HA -0.152 4.398 4.550 0.001 0.000 0.289 624 Y C 2.240 178.044 175.900 -0.161 0.000 1.127 624 Y CA 1.442 59.459 58.100 -0.139 0.000 1.131 624 Y CB -0.070 38.255 38.460 -0.225 0.000 0.995 624 Y HN -0.219 nan 8.280 nan 0.000 0.505 625 K N -0.205 120.087 120.400 -0.180 0.000 2.360 625 K HA -0.265 4.056 4.320 0.001 0.000 0.201 625 K C 2.041 178.600 176.600 -0.068 0.000 1.046 625 K CA 1.531 57.726 56.287 -0.154 0.000 0.940 625 K CB -0.054 32.431 32.500 -0.025 0.000 0.748 625 K HN 0.327 nan 8.250 nan 0.000 0.465 626 Q N 0.134 119.899 119.800 -0.059 0.000 2.096 626 Q HA 0.090 4.431 4.340 0.001 0.000 0.197 626 Q C 1.047 177.016 176.000 -0.052 0.000 0.964 626 Q CA 1.376 57.162 55.803 -0.029 0.000 0.838 626 Q CB 0.012 28.747 28.738 -0.006 0.000 0.906 626 Q HN 0.345 nan 8.270 nan 0.000 0.444 627 A N -0.615 122.147 122.820 -0.096 0.000 2.324 627 A HA 0.287 4.607 4.320 0.001 0.000 0.240 627 A C 0.615 178.113 177.584 -0.144 0.000 1.347 627 A CA 0.275 52.250 52.037 -0.103 0.000 1.036 627 A CB -0.500 18.443 19.000 -0.095 0.000 0.917 627 A HN 0.468 nan 8.150 nan 0.000 0.519 628 I N -2.963 117.539 120.570 -0.114 0.000 2.777 628 I HA 0.449 4.620 4.170 0.001 0.000 0.284 628 I C 0.636 176.737 176.117 -0.026 0.000 0.928 628 I CA 0.536 61.784 61.300 -0.087 0.000 2.091 628 I CB 0.491 38.411 38.000 -0.133 0.000 1.840 628 I HN 0.281 nan 8.210 nan 0.000 0.403 629 E N 0.000 120.200 120.200 -0.001 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440