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 1ump_1_A 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 0.000 177.664 177.584 0.134 0.000 1.274 10 A CA 0.000 52.110 52.037 0.121 0.000 0.836 10 A CB 0.000 19.189 19.000 0.316 0.000 0.831 11 Y N -2.450 117.902 120.300 0.087 0.000 2.476 11 Y HA 0.741 5.290 4.550 -0.000 0.000 0.261 11 Y C 1.894 177.850 175.900 0.094 0.000 1.077 11 Y CA 0.644 58.797 58.100 0.088 0.000 1.240 11 Y CB -0.232 38.290 38.460 0.104 0.000 1.317 11 Y HN 0.338 nan 8.280 nan 0.000 0.540 12 A N 2.268 124.770 122.820 -0.529 0.000 1.902 12 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 12 A C 2.376 179.922 177.584 -0.062 0.000 1.181 12 A CA 2.033 53.902 52.037 -0.281 0.000 0.623 12 A CB -0.710 18.088 19.000 -0.338 0.000 0.818 12 A HN 0.532 nan 8.150 nan 0.000 0.443 13 R N -0.810 119.651 120.500 -0.065 0.000 2.092 13 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 13 R C 2.019 178.325 176.300 0.010 0.000 1.119 13 R CA 1.983 58.068 56.100 -0.025 0.000 0.970 13 R CB -0.654 29.623 30.300 -0.037 0.000 0.864 13 R HN 0.453 nan 8.270 nan 0.000 0.440 14 T N 1.734 116.316 114.554 0.047 0.000 2.708 14 T HA -0.155 4.194 4.350 -0.000 0.000 0.266 14 T C 1.656 176.441 174.700 0.142 0.000 1.037 14 T CA 1.316 63.469 62.100 0.088 0.000 1.146 14 T CB -0.224 68.747 68.868 0.172 0.000 0.865 14 T HN 0.134 nan 8.240 nan 0.000 0.435 15 L N 1.553 122.884 121.223 0.180 0.000 2.027 15 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 15 L C 1.957 178.894 176.870 0.112 0.000 1.074 15 L CA 1.797 56.748 54.840 0.185 0.000 0.745 15 L CB -0.797 41.399 42.059 0.228 0.000 0.898 15 L HN 0.077 nan 8.230 nan 0.000 0.433 16 D N -0.534 119.909 120.400 0.072 0.000 2.133 16 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 16 D C 2.365 178.688 176.300 0.038 0.000 0.997 16 D CA 1.385 55.409 54.000 0.040 0.000 0.840 16 D CB -0.005 40.805 40.800 0.017 0.000 0.947 16 D HN 0.350 nan 8.370 nan 0.000 0.452 17 R N 0.196 120.715 120.500 0.031 0.000 2.062 17 R HA 0.137 4.476 4.340 -0.000 0.000 0.226 17 R C 2.345 178.674 176.300 0.047 0.000 1.125 17 R CA 0.960 57.066 56.100 0.010 0.000 0.966 17 R CB -0.225 30.044 30.300 -0.052 0.000 0.861 17 R HN 0.069 nan 8.270 nan 0.000 0.433 18 A N 0.639 123.509 122.820 0.082 0.000 1.908 18 A HA -0.137 4.182 4.320 -0.000 0.000 0.218 18 A C 2.280 179.973 177.584 0.181 0.000 1.181 18 A CA 1.468 53.622 52.037 0.195 0.000 0.627 18 A CB -0.585 18.645 19.000 0.384 0.000 0.818 18 A HN 0.130 nan 8.150 nan 0.000 0.445 19 V N -0.417 119.564 119.914 0.112 0.000 2.358 19 V HA -0.204 3.915 4.120 -0.000 0.000 0.246 19 V C 2.538 178.664 176.094 0.053 0.000 1.047 19 V CA 2.351 64.685 62.300 0.056 0.000 1.035 19 V CB -0.546 31.289 31.823 0.019 0.000 0.658 19 V HN 0.682 nan 8.190 nan 0.000 0.452 20 E N -0.788 119.449 120.200 0.061 0.000 2.106 20 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 20 E C 1.981 178.618 176.600 0.063 0.000 0.984 20 E CA 1.347 57.777 56.400 0.050 0.000 0.806 20 E CB -0.307 29.418 29.700 0.042 0.000 0.750 20 E HN 0.702 nan 8.360 nan 0.000 0.458 21 Y N 0.141 120.427 120.300 -0.023 0.000 2.184 21 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 21 Y C 1.934 177.823 175.900 -0.018 0.000 1.129 21 Y CA 1.373 59.442 58.100 -0.053 0.000 1.144 21 Y CB -0.260 38.140 38.460 -0.100 0.000 0.995 21 Y HN 0.051 nan 8.280 nan 0.000 0.513 22 L N -0.498 120.754 121.223 0.048 0.000 2.042 22 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 22 L C 2.360 179.329 176.870 0.165 0.000 1.076 22 L CA 1.480 56.340 54.840 0.033 0.000 0.749 22 L CB -0.501 41.563 42.059 0.008 0.000 0.893 22 L HN 0.340 nan 8.230 nan 0.000 0.432 23 L N -0.701 120.592 121.223 0.117 0.000 2.079 23 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 23 L C 2.813 179.679 176.870 -0.006 0.000 1.081 23 L CA 1.617 56.543 54.840 0.143 0.000 0.752 23 L CB -0.527 41.574 42.059 0.070 0.000 0.896 23 L HN 0.426 nan 8.230 nan 0.000 0.433 24 S N -1.522 114.114 115.700 -0.108 0.000 2.423 24 S HA -0.173 4.296 4.470 -0.000 0.000 0.231 24 S C 1.930 176.368 174.600 -0.271 0.000 1.014 24 S CA 1.024 59.107 58.200 -0.196 0.000 0.965 24 S CB -0.869 62.202 63.200 -0.214 0.000 0.785 24 S HN 0.464 nan 8.310 nan 0.000 0.495 25 C N 1.339 120.471 119.300 -0.281 0.000 2.456 25 C HA 0.202 4.662 4.460 -0.000 0.000 0.279 25 C C 1.484 176.291 174.990 -0.306 0.000 1.427 25 C CA -0.409 58.476 59.018 -0.222 0.000 1.778 25 C CB -1.659 26.026 27.740 -0.093 0.000 1.842 25 C HN 0.700 nan 8.230 nan 0.000 0.531 26 Q N 1.610 121.096 119.800 -0.524 0.000 2.337 26 Q HA 0.117 4.457 4.340 -0.000 0.000 0.270 26 Q C -0.238 175.268 176.000 -0.824 0.000 1.002 26 Q CA 0.451 55.502 55.803 -1.252 0.000 0.888 26 Q CB 0.555 28.509 28.738 -1.307 0.000 1.222 26 Q HN 0.349 nan 8.270 nan 0.000 0.400 27 K N 2.337 122.173 120.400 -0.940 0.000 2.168 27 K HA 0.027 4.347 4.320 -0.000 0.000 0.258 27 K C 0.120 176.343 176.600 -0.628 0.000 1.010 27 K CA 0.092 55.920 56.287 -0.764 0.000 0.929 27 K CB 0.588 32.428 32.500 -1.102 0.000 0.998 27 K HN 0.571 nan 8.250 nan 0.000 0.479 28 D N 1.030 121.180 120.400 -0.417 0.000 2.218 28 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 28 D C 0.620 176.776 176.300 -0.241 0.000 0.976 28 D CA 1.293 55.126 54.000 -0.277 0.000 0.853 28 D CB 0.259 40.953 40.800 -0.178 0.000 0.939 28 D HN 0.506 nan 8.370 nan 0.000 0.481 29 E N -1.328 118.712 120.200 -0.268 0.000 2.435 29 E HA 0.224 4.574 4.350 -0.000 0.000 0.195 29 E C 1.505 178.001 176.600 -0.174 0.000 1.029 29 E CA 0.678 57.010 56.400 -0.113 0.000 0.865 29 E CB 0.502 30.250 29.700 0.080 0.000 0.833 29 E HN 0.264 nan 8.360 nan 0.000 0.510 30 G N -0.527 108.011 108.800 -0.437 0.000 2.296 30 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.188 30 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.188 30 G C -0.058 174.451 174.900 -0.651 0.000 1.000 30 G CA -0.158 44.684 45.100 -0.430 0.000 0.672 30 G HN 0.301 nan 8.290 nan 0.000 0.483 31 Y N -0.466 119.280 120.300 -0.924 0.000 2.458 31 Y HA 0.819 5.368 4.550 -0.000 0.000 0.322 31 Y C 0.286 175.810 175.900 -0.627 0.000 1.259 31 Y CA -2.235 55.321 58.100 -0.907 0.000 1.302 31 Y CB 0.921 38.423 38.460 -1.597 0.000 1.314 31 Y HN 0.091 nan 8.280 nan 0.000 0.509 32 W N 1.003 122.229 121.300 -0.123 0.000 2.639 32 W HA 0.332 4.991 4.660 -0.000 0.000 0.347 32 W C -1.649 175.012 176.519 0.236 0.000 1.067 32 W CA -0.901 56.427 57.345 -0.029 0.000 1.218 32 W CB 1.991 31.417 29.460 -0.057 0.000 1.393 32 W HN 0.738 nan 8.180 nan 0.000 0.557 33 W N 2.085 123.501 121.300 0.194 0.000 3.261 33 W HA 0.440 5.100 4.660 -0.000 0.000 0.321 33 W C -0.983 175.586 176.519 0.083 0.000 1.076 33 W CA -1.278 56.144 57.345 0.129 0.000 1.261 33 W CB 0.447 30.042 29.460 0.226 0.000 1.166 33 W HN 0.376 nan 8.180 nan 0.000 0.395 34 G N 4.778 113.667 108.800 0.148 0.000 2.412 34 G HA2 0.678 4.638 3.960 -0.000 0.000 0.318 34 G HA3 0.678 4.638 3.960 -0.000 0.000 0.318 34 G C -2.720 172.058 174.900 -0.204 0.000 1.146 34 G CA -1.495 43.576 45.100 -0.048 0.000 0.882 34 G HN 0.119 nan 8.290 nan 0.000 0.501 35 P HA 0.110 nan 4.420 nan 0.000 0.267 35 P C -0.530 176.680 177.300 -0.149 0.000 1.200 35 P CA -0.318 62.623 63.100 -0.265 0.000 0.772 35 P CB 0.817 32.374 31.700 -0.239 0.000 0.855 36 L N 4.103 125.236 121.223 -0.149 0.000 2.294 36 L HA 0.337 4.677 4.340 -0.000 0.000 0.283 36 L C -0.865 175.897 176.870 -0.181 0.000 1.015 36 L CA -0.228 54.494 54.840 -0.197 0.000 0.831 36 L CB 0.066 42.025 42.059 -0.166 0.000 1.217 36 L HN 0.191 nan 8.230 nan 0.000 0.420 37 L N 4.304 125.392 121.223 -0.225 0.000 2.375 37 L HA 0.669 5.008 4.340 -0.000 0.000 0.271 37 L C 0.717 177.450 176.870 -0.229 0.000 1.107 37 L CA -0.068 54.682 54.840 -0.150 0.000 0.806 37 L CB 1.327 43.359 42.059 -0.044 0.000 1.146 37 L HN 0.861 nan 8.230 nan 0.000 0.447 38 S N 1.155 116.852 115.700 -0.005 0.000 3.865 38 S HA 0.440 4.909 4.470 -0.000 0.000 0.182 38 S C -0.582 174.104 174.600 0.143 0.000 1.141 38 S CA -0.309 57.871 58.200 -0.034 0.000 1.257 38 S CB 0.736 63.871 63.200 -0.108 0.000 1.779 38 S HN 0.772 nan 8.310 nan 0.000 0.816 39 N N -0.399 118.336 118.700 0.057 0.000 2.774 39 N HA 0.476 5.216 4.740 -0.000 0.000 0.264 39 N C 0.290 175.895 175.510 0.158 0.000 1.415 39 N CA -0.398 52.724 53.050 0.119 0.000 0.815 39 N CB 1.441 39.957 38.487 0.048 0.000 1.514 39 N HN 0.780 nan 8.380 nan 0.000 0.523 40 V N -3.163 116.826 119.914 0.125 0.000 3.510 40 V HA -0.027 4.093 4.120 -0.000 0.000 0.270 40 V C 1.627 177.735 176.094 0.022 0.000 1.201 40 V CA 1.528 63.894 62.300 0.109 0.000 1.166 40 V CB -1.771 29.984 31.823 -0.113 0.000 0.825 40 V HN 0.906 nan 8.190 nan 0.000 0.484 41 T N -2.552 112.007 114.554 0.008 0.000 2.881 41 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 41 T C 1.864 176.530 174.700 -0.055 0.000 1.068 41 T CA 1.594 63.662 62.100 -0.054 0.000 1.131 41 T CB -0.440 68.414 68.868 -0.023 0.000 0.871 41 T HN 0.344 nan 8.240 nan 0.000 0.479 42 M N 1.459 121.087 119.600 0.047 0.000 2.080 42 M HA -0.044 4.435 4.480 -0.000 0.000 0.260 42 M C 2.152 178.494 176.300 0.069 0.000 1.068 42 M CA 1.815 57.139 55.300 0.040 0.000 1.109 42 M CB -1.170 31.530 32.600 0.167 0.000 1.342 42 M HN 0.348 nan 8.290 nan 0.000 0.405 43 E N 0.302 120.579 120.200 0.129 0.000 2.122 43 E HA 0.105 4.455 4.350 -0.000 0.000 0.190 43 E C 2.147 178.850 176.600 0.171 0.000 0.977 43 E CA 1.085 57.612 56.400 0.211 0.000 0.820 43 E CB -0.435 29.405 29.700 0.233 0.000 0.770 43 E HN 0.476 nan 8.360 nan 0.000 0.462 44 A N 1.213 124.057 122.820 0.040 0.000 1.908 44 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 44 A C 1.961 179.420 177.584 -0.210 0.000 1.181 44 A CA 1.845 53.833 52.037 -0.081 0.000 0.627 44 A CB -0.481 18.418 19.000 -0.168 0.000 0.818 44 A HN 0.205 nan 8.150 nan 0.000 0.445 45 E N -2.065 117.937 120.200 -0.331 0.000 2.152 45 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 45 E C 1.804 178.224 176.600 -0.299 0.000 0.983 45 E CA 1.057 57.022 56.400 -0.726 0.000 0.818 45 E CB -0.263 28.894 29.700 -0.906 0.000 0.758 45 E HN 0.791 nan 8.360 nan 0.000 0.467 46 Y N 0.974 121.224 120.300 -0.083 0.000 2.181 46 Y HA -0.264 4.285 4.550 -0.000 0.000 0.288 46 Y C 2.038 177.836 175.900 -0.170 0.000 1.146 46 Y CA 1.185 59.182 58.100 -0.172 0.000 1.164 46 Y CB -0.097 38.336 38.460 -0.046 0.000 0.982 46 Y HN -0.168 nan 8.280 nan 0.000 0.515 47 V N 0.544 120.455 119.914 -0.005 0.000 2.295 47 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 47 V C 2.406 178.359 176.094 -0.234 0.000 1.049 47 V CA 2.063 64.320 62.300 -0.072 0.000 1.024 47 V CB -0.727 31.118 31.823 0.036 0.000 0.648 47 V HN 0.458 nan 8.190 nan 0.000 0.447 48 L N -0.862 120.229 121.223 -0.220 0.000 2.141 48 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 48 L C 2.449 179.319 176.870 -0.001 0.000 1.094 48 L CA 1.076 55.851 54.840 -0.107 0.000 0.763 48 L CB -0.560 41.521 42.059 0.036 0.000 0.908 48 L HN 0.346 nan 8.230 nan 0.000 0.437 49 L N -0.314 120.865 121.223 -0.074 0.000 2.042 49 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 49 L C 2.573 179.277 176.870 -0.278 0.000 1.076 49 L CA 1.829 56.576 54.840 -0.155 0.000 0.749 49 L CB -0.516 41.268 42.059 -0.459 0.000 0.893 49 L HN 0.235 nan 8.230 nan 0.000 0.432 50 C N -0.988 118.103 119.300 -0.349 0.000 2.429 50 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 50 C C 2.700 177.590 174.990 -0.166 0.000 1.262 50 C CA 0.915 59.779 59.018 -0.257 0.000 1.733 50 C CB -1.347 26.243 27.740 -0.251 0.000 2.010 50 C HN 0.792 nan 8.230 nan 0.000 0.483 51 H N 0.892 119.811 119.070 -0.251 0.000 2.319 51 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 51 H C 1.878 177.091 175.328 -0.191 0.000 1.092 51 H CA 1.974 57.898 56.048 -0.207 0.000 1.302 51 H CB -0.446 29.054 29.762 -0.436 0.000 1.373 51 H HN 0.454 nan 8.280 nan 0.000 0.497 52 I N -0.026 120.229 120.570 -0.525 0.000 2.286 52 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 52 I C 1.816 177.499 176.117 -0.723 0.000 1.115 52 I CA 1.085 61.859 61.300 -0.876 0.000 1.392 52 I CB -0.089 37.438 38.000 -0.788 0.000 1.065 52 I HN 0.268 nan 8.210 nan 0.000 0.418 53 L N -0.154 120.800 121.223 -0.448 0.000 2.591 53 L HA 0.027 4.367 4.340 -0.000 0.000 0.228 53 L C 0.326 177.018 176.870 -0.296 0.000 1.133 53 L CA 0.052 54.684 54.840 -0.347 0.000 0.880 53 L CB -0.427 41.425 42.059 -0.345 0.000 1.033 53 L HN 0.248 nan 8.230 nan 0.000 0.450 54 D N 1.940 122.191 120.400 -0.248 0.000 2.699 54 D HA -0.221 4.419 4.640 -0.000 0.000 0.239 54 D C 0.110 176.331 176.300 -0.132 0.000 1.136 54 D CA 0.742 54.660 54.000 -0.137 0.000 0.668 54 D CB -0.444 40.299 40.800 -0.095 0.000 1.060 54 D HN 0.353 nan 8.370 nan 0.000 0.429 55 R N -0.194 120.211 120.500 -0.157 0.000 2.639 55 R HA 0.376 4.716 4.340 -0.000 0.000 0.273 55 R C -0.881 175.424 176.300 0.008 0.000 1.732 55 R CA -0.605 55.422 56.100 -0.122 0.000 1.586 55 R CB 1.493 31.577 30.300 -0.361 0.000 1.263 55 R HN -0.059 nan 8.270 nan 0.000 0.615 56 V N 1.795 121.738 119.914 0.048 0.000 2.318 56 V HA 0.114 4.234 4.120 -0.000 0.000 0.271 56 V C -0.056 176.085 176.094 0.078 0.000 1.030 56 V CA -0.664 61.690 62.300 0.090 0.000 0.844 56 V CB 1.331 33.249 31.823 0.158 0.000 1.015 56 V HN 0.399 nan 8.190 nan 0.000 0.460 57 D N 5.090 125.533 120.400 0.073 0.000 2.316 57 D HA 0.196 4.836 4.640 -0.000 0.000 0.245 57 D C 1.219 177.536 176.300 0.028 0.000 1.171 57 D CA -0.435 53.592 54.000 0.045 0.000 0.856 57 D CB 1.102 41.921 40.800 0.031 0.000 1.090 57 D HN 0.232 nan 8.370 nan 0.000 0.476 58 R N 2.993 123.509 120.500 0.026 0.000 2.115 58 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 58 R C 0.907 177.214 176.300 0.011 0.000 1.111 58 R CA 0.760 56.872 56.100 0.021 0.000 0.976 58 R CB -0.196 30.112 30.300 0.014 0.000 0.870 58 R HN 0.562 nan 8.270 nan 0.000 0.445 59 D N 0.365 120.764 120.400 -0.001 0.000 2.117 59 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 59 D C 1.938 178.216 176.300 -0.036 0.000 0.987 59 D CA 1.014 55.008 54.000 -0.010 0.000 0.829 59 D CB -0.165 40.626 40.800 -0.015 0.000 0.961 59 D HN 0.032 nan 8.370 nan 0.000 0.460 60 R N 0.486 120.936 120.500 -0.083 0.000 2.081 60 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 60 R C 2.066 178.318 176.300 -0.079 0.000 1.131 60 R CA 1.100 57.086 56.100 -0.190 0.000 0.960 60 R CB -0.454 29.675 30.300 -0.285 0.000 0.856 60 R HN 0.032 nan 8.270 nan 0.000 0.436 61 M N 0.478 120.082 119.600 0.007 0.000 2.108 61 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 61 M C 2.052 178.405 176.300 0.088 0.000 1.066 61 M CA 1.885 57.232 55.300 0.078 0.000 1.107 61 M CB -1.041 31.615 32.600 0.093 0.000 1.356 61 M HN 0.206 nan 8.290 nan 0.000 0.406 62 E N 0.866 121.103 120.200 0.061 0.000 2.072 62 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 62 E C 1.835 178.502 176.600 0.111 0.000 0.985 62 E CA 1.600 58.045 56.400 0.076 0.000 0.801 62 E CB -0.112 29.619 29.700 0.052 0.000 0.750 62 E HN 0.429 nan 8.360 nan 0.000 0.452 63 K N -0.061 120.397 120.400 0.095 0.000 2.097 63 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 63 K C 2.245 178.993 176.600 0.246 0.000 1.049 63 K CA 1.490 57.865 56.287 0.145 0.000 0.933 63 K CB -0.216 32.347 32.500 0.105 0.000 0.717 63 K HN 0.253 nan 8.250 nan 0.000 0.442 64 I N 0.582 121.296 120.570 0.240 0.000 2.252 64 I HA -0.243 3.926 4.170 -0.000 0.000 0.245 64 I C 2.682 179.006 176.117 0.345 0.000 1.102 64 I CA 0.863 62.370 61.300 0.345 0.000 1.385 64 I CB -0.180 38.006 38.000 0.310 0.000 1.064 64 I HN 0.143 nan 8.210 nan 0.000 0.414 65 R N 1.146 121.790 120.500 0.240 0.000 2.094 65 R HA -0.217 4.122 4.340 -0.000 0.000 0.239 65 R C 2.475 178.919 176.300 0.241 0.000 1.137 65 R CA 1.827 58.048 56.100 0.202 0.000 0.943 65 R CB -0.154 30.230 30.300 0.139 0.000 0.850 65 R HN 0.262 nan 8.270 nan 0.000 0.433 66 R N -1.009 119.649 120.500 0.263 0.000 2.096 66 R HA -0.204 4.135 4.340 -0.000 0.000 0.235 66 R C 2.277 178.839 176.300 0.438 0.000 1.127 66 R CA 1.855 58.141 56.100 0.311 0.000 0.968 66 R CB -0.544 29.952 30.300 0.326 0.000 0.861 66 R HN 0.385 nan 8.270 nan 0.000 0.440 67 Y N 1.386 121.892 120.300 0.345 0.000 2.145 67 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 67 Y C 1.814 177.921 175.900 0.345 0.000 1.145 67 Y CA 1.425 59.749 58.100 0.375 0.000 1.148 67 Y CB -0.252 38.365 38.460 0.262 0.000 0.981 67 Y HN -0.068 nan 8.280 nan 0.000 0.507 68 L N -0.709 120.622 121.223 0.181 0.000 2.046 68 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 68 L C 2.263 179.341 176.870 0.347 0.000 1.077 68 L CA 0.690 55.617 54.840 0.145 0.000 0.747 68 L CB -0.656 41.504 42.059 0.167 0.000 0.896 68 L HN 0.275 nan 8.230 nan 0.000 0.432 69 L N -0.730 120.645 121.223 0.252 0.000 2.093 69 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 69 L C 2.476 179.369 176.870 0.038 0.000 1.085 69 L CA 1.769 56.703 54.840 0.156 0.000 0.755 69 L CB -1.193 40.936 42.059 0.117 0.000 0.904 69 L HN 0.302 nan 8.230 nan 0.000 0.435 70 H N -0.595 118.436 119.070 -0.066 0.000 2.389 70 H HA -0.081 4.474 4.556 -0.000 0.000 0.299 70 H C 1.815 177.021 175.328 -0.203 0.000 1.081 70 H CA 1.334 57.255 56.048 -0.213 0.000 1.345 70 H CB 0.490 30.019 29.762 -0.389 0.000 1.393 70 H HN 0.196 nan 8.280 nan 0.000 0.520 71 E N 0.575 120.798 120.200 0.038 0.000 2.427 71 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 71 E C 0.332 176.778 176.600 -0.257 0.000 1.028 71 E CA 0.212 56.604 56.400 -0.014 0.000 0.864 71 E CB 0.026 29.734 29.700 0.013 0.000 0.813 71 E HN 0.612 nan 8.360 nan 0.000 0.514 72 Q N 1.470 120.999 119.800 -0.452 0.000 2.297 72 Q HA 0.097 4.436 4.340 -0.000 0.000 0.267 72 Q C -0.312 175.313 176.000 -0.625 0.000 1.006 72 Q CA -0.159 55.015 55.803 -1.047 0.000 0.896 72 Q CB 0.545 28.676 28.738 -1.011 0.000 1.186 72 Q HN -0.099 nan 8.270 nan 0.000 0.392 73 R N 1.798 121.939 120.500 -0.598 0.000 2.668 73 R HA 0.031 4.371 4.340 -0.000 0.000 0.268 73 R C 1.082 177.176 176.300 -0.343 0.000 1.232 73 R CA -0.182 55.682 56.100 -0.394 0.000 1.166 73 R CB 0.254 30.351 30.300 -0.339 0.000 1.179 73 R HN 0.691 nan 8.270 nan 0.000 0.606 74 E N 0.395 120.445 120.200 -0.251 0.000 2.208 74 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 74 E C 0.691 177.181 176.600 -0.183 0.000 0.988 74 E CA 0.785 57.067 56.400 -0.197 0.000 0.828 74 E CB 0.105 29.715 29.700 -0.149 0.000 0.763 74 E HN 0.440 nan 8.360 nan 0.000 0.478 75 D N -0.264 120.015 120.400 -0.203 0.000 2.218 75 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 75 D C 1.417 177.602 176.300 -0.192 0.000 1.007 75 D CA 1.846 55.727 54.000 -0.197 0.000 0.879 75 D CB -0.325 40.307 40.800 -0.280 0.000 0.918 75 D HN 0.458 nan 8.370 nan 0.000 0.449 76 G N -0.701 107.931 108.800 -0.280 0.000 2.159 76 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.227 76 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.227 76 G C 0.481 175.131 174.900 -0.417 0.000 0.986 76 G CA 0.785 45.710 45.100 -0.291 0.000 0.651 76 G HN 0.675 nan 8.290 nan 0.000 0.523 77 T N -2.530 111.719 114.554 -0.508 0.000 2.950 77 T HA 0.721 5.071 4.350 -0.000 0.000 0.288 77 T C -0.079 174.280 174.700 -0.568 0.000 1.035 77 T CA -0.841 60.990 62.100 -0.449 0.000 1.028 77 T CB 2.221 70.726 68.868 -0.606 0.000 1.109 77 T HN 0.413 nan 8.240 nan 0.000 0.514 78 W N 0.028 121.234 121.300 -0.157 0.000 2.719 78 W HA 0.699 5.359 4.660 -0.000 0.000 0.352 78 W C -0.090 176.344 176.519 -0.143 0.000 1.085 78 W CA -1.151 56.118 57.345 -0.126 0.000 1.187 78 W CB 2.366 31.790 29.460 -0.059 0.000 1.417 78 W HN 1.066 nan 8.180 nan 0.000 0.557 79 A N 1.137 123.994 122.820 0.060 0.000 2.435 79 A HA 0.612 4.932 4.320 -0.000 0.000 0.296 79 A C 0.188 177.758 177.584 -0.023 0.000 1.147 79 A CA -0.611 51.380 52.037 -0.076 0.000 0.775 79 A CB 1.284 20.116 19.000 -0.281 0.000 1.340 79 A HN 0.684 nan 8.150 nan 0.000 0.427 80 L N -0.558 120.639 121.223 -0.043 0.000 2.313 80 L HA 0.096 4.436 4.340 -0.000 0.000 0.214 80 L C 0.107 177.106 176.870 0.215 0.000 1.119 80 L CA 0.981 55.909 54.840 0.146 0.000 0.809 80 L CB -0.605 41.683 42.059 0.382 0.000 0.933 80 L HN 0.766 nan 8.230 nan 0.000 0.449 81 Y N -4.376 115.863 120.300 -0.102 0.000 2.609 81 Y HA 0.614 5.164 4.550 -0.000 0.000 0.336 81 Y C -3.004 172.641 175.900 -0.425 0.000 1.129 81 Y CA -3.674 54.157 58.100 -0.448 0.000 1.040 81 Y CB -0.133 38.120 38.460 -0.344 0.000 1.310 81 Y HN -0.293 nan 8.280 nan 0.000 0.460 82 P HA 0.210 nan 4.420 nan 0.000 0.263 82 P C 0.746 178.016 177.300 -0.049 0.000 1.195 82 P CA 1.985 64.935 63.100 -0.250 0.000 0.762 82 P CB 0.700 32.227 31.700 -0.288 0.000 0.799 83 G N 2.170 110.913 108.800 -0.095 0.000 2.155 83 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.257 83 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.257 83 G C 0.604 175.442 174.900 -0.103 0.000 0.983 83 G CA -0.138 44.959 45.100 -0.006 0.000 0.676 83 G HN 0.882 nan 8.290 nan 0.000 0.528 84 G N 0.024 108.569 108.800 -0.425 0.000 2.562 84 G HA2 0.703 4.663 3.960 -0.000 0.000 0.275 84 G HA3 0.703 4.663 3.960 -0.000 0.000 0.275 84 G C -1.449 173.159 174.900 -0.487 0.000 1.196 84 G CA -0.481 44.058 45.100 -0.934 0.000 0.908 84 G HN 0.291 nan 8.290 nan 0.000 0.524 85 P HA 0.282 nan 4.420 nan 0.000 0.274 85 P C -2.722 174.462 177.300 -0.194 0.000 1.246 85 P CA -1.426 61.561 63.100 -0.188 0.000 0.795 85 P CB 0.327 31.985 31.700 -0.070 0.000 1.006 86 P HA 0.148 nan 4.420 nan 0.000 0.267 86 P C -0.668 176.629 177.300 -0.006 0.000 1.205 86 P CA 0.543 63.480 63.100 -0.271 0.000 0.765 86 P CB 0.000 31.280 31.700 -0.701 0.000 0.828 87 D N 2.128 122.564 120.400 0.061 0.000 2.349 87 D HA 0.135 4.775 4.640 -0.000 0.000 0.232 87 D C 0.857 177.362 176.300 0.342 0.000 1.071 87 D CA -0.489 53.637 54.000 0.210 0.000 0.832 87 D CB 0.748 41.651 40.800 0.172 0.000 1.086 87 D HN 0.056 nan 8.370 nan 0.000 0.504 88 L N 4.028 125.484 121.223 0.389 0.000 2.012 88 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 88 L C 1.210 178.191 176.870 0.184 0.000 1.073 88 L CA 1.973 56.999 54.840 0.310 0.000 0.748 88 L CB -0.374 41.747 42.059 0.103 0.000 0.891 88 L HN 0.479 nan 8.230 nan 0.000 0.431 89 D N -0.987 119.502 120.400 0.148 0.000 2.104 89 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 89 D C 2.064 178.409 176.300 0.076 0.000 0.994 89 D CA 1.995 56.049 54.000 0.089 0.000 0.830 89 D CB -0.472 40.388 40.800 0.099 0.000 0.959 89 D HN 0.398 nan 8.370 nan 0.000 0.452 90 T N 0.227 114.853 114.554 0.118 0.000 2.788 90 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 90 T C 2.006 176.715 174.700 0.015 0.000 1.044 90 T CA 1.506 63.646 62.100 0.067 0.000 1.139 90 T CB -0.363 68.582 68.868 0.129 0.000 0.867 90 T HN 0.149 nan 8.240 nan 0.000 0.454 91 T N 1.859 116.518 114.554 0.176 0.000 2.857 91 T HA 0.133 4.483 4.350 -0.000 0.000 0.266 91 T C 1.984 176.772 174.700 0.146 0.000 1.048 91 T CA 0.586 62.860 62.100 0.290 0.000 1.139 91 T CB -0.306 68.874 68.868 0.520 0.000 0.874 91 T HN 0.300 nan 8.240 nan 0.000 0.455 92 I N 1.165 121.789 120.570 0.091 0.000 2.142 92 I HA -0.178 3.991 4.170 -0.000 0.000 0.240 92 I C 2.664 178.778 176.117 -0.005 0.000 1.078 92 I CA 1.455 62.766 61.300 0.018 0.000 1.343 92 I CB -0.337 37.641 38.000 -0.036 0.000 1.046 92 I HN 0.290 nan 8.210 nan 0.000 0.405 93 E N 0.767 120.929 120.200 -0.062 0.000 2.077 93 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 93 E C 2.332 178.827 176.600 -0.175 0.000 0.989 93 E CA 1.327 57.659 56.400 -0.114 0.000 0.800 93 E CB -0.209 29.400 29.700 -0.151 0.000 0.746 93 E HN 0.541 nan 8.360 nan 0.000 0.452 94 A N 0.893 123.506 122.820 -0.345 0.000 1.873 94 A HA -0.207 4.112 4.320 -0.000 0.000 0.215 94 A C 2.017 179.408 177.584 -0.322 0.000 1.186 94 A CA 1.288 52.962 52.037 -0.605 0.000 0.616 94 A CB -0.864 17.141 19.000 -1.660 0.000 0.823 94 A HN 0.403 nan 8.150 nan 0.000 0.442 95 Y N 0.644 120.788 120.300 -0.260 0.000 2.097 95 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 95 Y C 2.380 178.273 175.900 -0.012 0.000 1.152 95 Y CA 2.169 60.249 58.100 -0.033 0.000 1.136 95 Y CB -0.256 38.238 38.460 0.056 0.000 0.975 95 Y HN 0.089 nan 8.280 nan 0.000 0.498 96 V N 0.530 120.619 119.914 0.293 0.000 2.287 96 V HA -0.396 3.724 4.120 -0.000 0.000 0.248 96 V C 2.647 178.799 176.094 0.097 0.000 1.053 96 V CA 1.986 64.407 62.300 0.201 0.000 1.027 96 V CB -1.601 30.289 31.823 0.112 0.000 0.646 96 V HN 0.609 nan 8.190 nan 0.000 0.447 97 A N -0.660 122.176 122.820 0.027 0.000 1.933 97 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 97 A C 2.225 179.856 177.584 0.079 0.000 1.175 97 A CA 1.652 53.715 52.037 0.043 0.000 0.628 97 A CB -0.469 18.527 19.000 -0.006 0.000 0.814 97 A HN 0.512 nan 8.150 nan 0.000 0.444 98 L N -1.103 120.122 121.223 0.002 0.000 2.072 98 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 98 L C 2.610 179.459 176.870 -0.034 0.000 1.079 98 L CA 1.650 56.482 54.840 -0.014 0.000 0.752 98 L CB -0.365 41.659 42.059 -0.057 0.000 0.906 98 L HN 0.393 nan 8.230 nan 0.000 0.436 99 K N -0.470 119.889 120.400 -0.069 0.000 2.032 99 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 99 K C 2.229 178.846 176.600 0.029 0.000 1.048 99 K CA 1.851 58.117 56.287 -0.035 0.000 0.927 99 K CB -0.307 32.205 32.500 0.019 0.000 0.712 99 K HN 0.154 nan 8.250 nan 0.000 0.441 100 Y N 1.205 121.489 120.300 -0.028 0.000 2.128 100 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 100 Y C 1.748 177.634 175.900 -0.024 0.000 1.154 100 Y CA 1.764 59.842 58.100 -0.038 0.000 1.149 100 Y CB -0.106 38.321 38.460 -0.057 0.000 0.976 100 Y HN 0.027 nan 8.280 nan 0.000 0.505 101 I N -0.740 119.837 120.570 0.011 0.000 2.286 101 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 101 I C 2.090 178.143 176.117 -0.106 0.000 1.115 101 I CA 1.820 63.090 61.300 -0.049 0.000 1.392 101 I CB -0.409 37.639 38.000 0.079 0.000 1.065 101 I HN 0.546 nan 8.210 nan 0.000 0.418 102 G N -1.341 107.414 108.800 -0.075 0.000 3.743 102 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.220 102 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.220 102 G C 0.341 175.216 174.900 -0.041 0.000 0.914 102 G CA -0.640 44.421 45.100 -0.065 0.000 0.851 102 G HN -0.055 nan 8.290 nan 0.000 0.573 103 M N 2.681 122.258 119.600 -0.039 0.000 2.303 103 M HA 0.317 4.797 4.480 -0.000 0.000 0.350 103 M C 1.051 177.316 176.300 -0.058 0.000 1.518 103 M CA 0.130 55.402 55.300 -0.046 0.000 1.070 103 M CB 0.505 33.066 32.600 -0.066 0.000 1.910 103 M HN 0.297 nan 8.290 nan 0.000 0.458 104 S N 3.326 119.006 115.700 -0.033 0.000 2.579 104 S HA 0.132 4.602 4.470 -0.000 0.000 0.275 104 S C 1.349 175.937 174.600 -0.020 0.000 1.345 104 S CA -0.383 57.808 58.200 -0.015 0.000 1.031 104 S CB 0.721 63.922 63.200 0.002 0.000 0.892 104 S HN 0.805 nan 8.310 nan 0.000 0.529 105 R N 1.422 121.935 120.500 0.021 0.000 2.235 105 R HA 0.007 4.347 4.340 -0.000 0.000 0.213 105 R C 0.580 176.929 176.300 0.081 0.000 1.059 105 R CA 1.587 57.729 56.100 0.070 0.000 0.997 105 R CB -0.578 29.829 30.300 0.178 0.000 0.884 105 R HN 0.711 nan 8.270 nan 0.000 0.462 106 D N 0.227 120.659 120.400 0.055 0.000 2.340 106 D HA -0.019 4.620 4.640 -0.000 0.000 0.220 106 D C -0.360 175.962 176.300 0.036 0.000 1.039 106 D CA -0.053 53.977 54.000 0.050 0.000 0.866 106 D CB -0.044 40.781 40.800 0.042 0.000 0.913 106 D HN 0.343 nan 8.370 nan 0.000 0.523 107 E N 0.804 121.019 120.200 0.025 0.000 2.354 107 E HA 0.030 4.379 4.350 -0.000 0.000 0.269 107 E C 0.729 177.343 176.600 0.023 0.000 1.036 107 E CA -0.219 56.191 56.400 0.016 0.000 0.876 107 E CB 1.433 31.136 29.700 0.004 0.000 1.009 107 E HN 0.173 nan 8.360 nan 0.000 0.416 108 E N 3.322 123.532 120.200 0.016 0.000 2.086 108 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 108 E C -0.840 175.770 176.600 0.016 0.000 1.012 108 E CA 1.456 57.865 56.400 0.014 0.000 0.812 108 E CB -0.489 29.209 29.700 -0.002 0.000 0.743 108 E HN 0.365 nan 8.360 nan 0.000 0.453 109 P HA -0.169 nan 4.420 nan 0.000 0.218 109 P C 1.236 178.576 177.300 0.067 0.000 1.148 109 P CA 1.354 64.456 63.100 0.003 0.000 0.822 109 P CB 0.005 31.707 31.700 0.004 0.000 0.784 110 M N -1.304 118.336 119.600 0.067 0.000 2.193 110 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 110 M C 2.249 178.702 176.300 0.255 0.000 1.071 110 M CA 1.451 56.818 55.300 0.112 0.000 1.140 110 M CB -1.605 30.961 32.600 -0.057 0.000 1.369 110 M HN 0.046 nan 8.290 nan 0.000 0.423 111 Q N 0.926 120.821 119.800 0.159 0.000 2.135 111 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 111 Q C 1.875 177.959 176.000 0.140 0.000 0.981 111 Q CA 1.628 57.519 55.803 0.147 0.000 0.856 111 Q CB 0.111 28.902 28.738 0.088 0.000 0.902 111 Q HN 0.493 nan 8.270 nan 0.000 0.425 112 K N -0.297 120.171 120.400 0.114 0.000 2.007 112 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 112 K C 2.101 178.793 176.600 0.153 0.000 1.047 112 K CA 1.082 57.422 56.287 0.090 0.000 0.937 112 K CB -0.246 32.265 32.500 0.018 0.000 0.718 112 K HN 0.154 nan 8.250 nan 0.000 0.438 113 A N 1.606 124.553 122.820 0.211 0.000 1.892 113 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 113 A C 2.141 179.923 177.584 0.330 0.000 1.188 113 A CA 1.565 53.809 52.037 0.344 0.000 0.631 113 A CB -0.758 18.583 19.000 0.568 0.000 0.822 113 A HN 0.268 nan 8.150 nan 0.000 0.447 114 L N 0.012 121.403 121.223 0.279 0.000 1.971 114 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 114 L C 2.520 179.435 176.870 0.075 0.000 1.072 114 L CA 2.738 57.627 54.840 0.082 0.000 0.758 114 L CB -0.771 41.356 42.059 0.113 0.000 0.889 114 L HN 0.518 nan 8.230 nan 0.000 0.433 115 R N -1.496 119.072 120.500 0.112 0.000 2.133 115 R HA -0.279 4.060 4.340 -0.000 0.000 0.247 115 R C 2.365 178.726 176.300 0.101 0.000 1.151 115 R CA 2.238 58.390 56.100 0.087 0.000 0.971 115 R CB -0.678 29.677 30.300 0.092 0.000 0.866 115 R HN 0.486 nan 8.270 nan 0.000 0.447 116 F N 1.076 121.041 119.950 0.025 0.000 2.084 116 F HA -0.099 4.428 4.527 -0.000 0.000 0.296 116 F C 1.923 177.732 175.800 0.015 0.000 1.111 116 F CA 1.407 59.420 58.000 0.023 0.000 1.224 116 F CB -0.390 38.630 39.000 0.034 0.000 0.991 116 F HN -0.046 nan 8.300 nan 0.000 0.471 117 I N 0.539 121.032 120.570 -0.128 0.000 2.113 117 I HA -0.415 3.755 4.170 -0.000 0.000 0.242 117 I C 2.477 178.434 176.117 -0.268 0.000 1.064 117 I CA 1.989 63.142 61.300 -0.244 0.000 1.320 117 I CB -0.731 37.199 38.000 -0.117 0.000 1.028 117 I HN 0.281 nan 8.210 nan 0.000 0.406 118 Q N 0.143 119.844 119.800 -0.164 0.000 2.124 118 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 118 Q C 2.332 178.253 176.000 -0.131 0.000 0.977 118 Q CA 2.056 57.788 55.803 -0.119 0.000 0.850 118 Q CB -0.187 28.516 28.738 -0.058 0.000 0.901 118 Q HN 0.648 nan 8.270 nan 0.000 0.429 119 S N -0.151 115.449 115.700 -0.166 0.000 2.481 119 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 119 S C 1.542 176.027 174.600 -0.192 0.000 0.996 119 S CA 0.542 58.658 58.200 -0.140 0.000 0.942 119 S CB 0.138 63.286 63.200 -0.088 0.000 0.768 119 S HN 0.229 nan 8.310 nan 0.000 0.520 120 Q N 0.548 120.155 119.800 -0.322 0.000 2.319 120 Q HA 0.312 4.652 4.340 -0.000 0.000 0.202 120 Q C 1.252 177.159 176.000 -0.155 0.000 0.896 120 Q CA 0.653 56.293 55.803 -0.271 0.000 0.942 120 Q CB 0.468 28.947 28.738 -0.433 0.000 1.083 120 Q HN 0.792 nan 8.270 nan 0.000 0.510 121 G N 0.006 108.728 108.800 -0.129 0.000 2.138 121 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.193 121 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.193 121 G C 0.628 175.485 174.900 -0.072 0.000 0.998 121 G CA 0.122 45.179 45.100 -0.071 0.000 0.668 121 G HN 0.680 nan 8.290 nan 0.000 0.516 122 G N -0.285 108.442 108.800 -0.121 0.000 2.578 122 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.275 122 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.275 122 G C 1.162 175.969 174.900 -0.154 0.000 1.271 122 G CA 0.454 45.468 45.100 -0.143 0.000 0.941 122 G HN 1.105 nan 8.290 nan 0.000 0.564 123 I N 0.964 121.395 120.570 -0.232 0.000 2.361 123 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 123 I C 2.624 178.660 176.117 -0.135 0.000 1.133 123 I CA 1.765 62.908 61.300 -0.262 0.000 1.413 123 I CB -0.273 37.425 38.000 -0.504 0.000 1.073 123 I HN 0.478 nan 8.210 nan 0.000 0.424 124 E N 0.408 120.601 120.200 -0.012 0.000 2.268 124 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 124 E C 2.184 178.791 176.600 0.010 0.000 0.995 124 E CA 0.882 57.319 56.400 0.061 0.000 0.836 124 E CB -0.101 29.679 29.700 0.134 0.000 0.763 124 E HN 0.413 nan 8.360 nan 0.000 0.491 125 S N 0.765 116.452 115.700 -0.022 0.000 2.527 125 S HA -0.019 4.451 4.470 -0.000 0.000 0.222 125 S C 1.097 175.683 174.600 -0.022 0.000 0.985 125 S CA 0.122 58.311 58.200 -0.018 0.000 0.921 125 S CB 0.080 63.261 63.200 -0.032 0.000 0.772 125 S HN 0.266 nan 8.310 nan 0.000 0.529 126 S N 2.444 118.110 115.700 -0.056 0.000 2.614 126 S HA 0.388 4.858 4.470 -0.000 0.000 0.265 126 S C 0.252 174.819 174.600 -0.055 0.000 1.303 126 S CA -1.079 57.090 58.200 -0.052 0.000 1.000 126 S CB 0.568 63.712 63.200 -0.093 0.000 0.935 126 S HN 0.530 nan 8.310 nan 0.000 0.551 127 R N 0.380 120.864 120.500 -0.027 0.000 2.707 127 R HA 0.326 4.666 4.340 -0.000 0.000 0.270 127 R C 0.836 177.065 176.300 -0.118 0.000 1.083 127 R CA -0.687 55.386 56.100 -0.045 0.000 1.182 127 R CB -0.150 30.150 30.300 0.000 0.000 1.084 127 R HN 0.390 nan 8.270 nan 0.000 0.528 128 V N 0.667 120.460 119.914 -0.201 0.000 2.282 128 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 128 V C 2.100 178.089 176.094 -0.174 0.000 1.057 128 V CA 1.840 63.991 62.300 -0.249 0.000 1.032 128 V CB -0.875 30.681 31.823 -0.445 0.000 0.645 128 V HN 0.672 nan 8.190 nan 0.000 0.447 129 F N 0.834 120.698 119.950 -0.142 0.000 2.126 129 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 129 F C 2.603 178.479 175.800 0.127 0.000 1.096 129 F CA 2.009 60.006 58.000 -0.006 0.000 1.255 129 F CB -1.464 37.523 39.000 -0.020 0.000 0.997 129 F HN 0.119 nan 8.300 nan 0.000 0.479 130 T N -0.438 114.240 114.554 0.206 0.000 2.701 130 T HA -0.164 4.186 4.350 -0.000 0.000 0.263 130 T C 2.127 176.832 174.700 0.009 0.000 1.040 130 T CA 1.329 63.501 62.100 0.121 0.000 1.147 130 T CB -0.238 68.634 68.868 0.006 0.000 0.865 130 T HN 0.148 nan 8.240 nan 0.000 0.426 131 R N 0.467 120.859 120.500 -0.180 0.000 2.127 131 R HA 0.033 4.372 4.340 -0.000 0.000 0.238 131 R C 2.514 178.655 176.300 -0.265 0.000 1.134 131 R CA 1.197 57.022 56.100 -0.459 0.000 0.975 131 R CB -0.330 29.473 30.300 -0.829 0.000 0.865 131 R HN 0.397 nan 8.270 nan 0.000 0.447 132 M N -0.654 118.861 119.600 -0.141 0.000 2.175 132 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 132 M C 1.293 177.458 176.300 -0.224 0.000 1.063 132 M CA 1.683 56.831 55.300 -0.254 0.000 1.119 132 M CB -0.067 32.466 32.600 -0.112 0.000 1.377 132 M HN 0.172 nan 8.290 nan 0.000 0.415 133 W N 0.793 122.078 121.300 -0.024 0.000 2.358 133 W HA -0.144 4.516 4.660 -0.000 0.000 0.303 133 W C 2.064 178.583 176.519 0.001 0.000 1.208 133 W CA 1.098 58.468 57.345 0.040 0.000 1.274 133 W CB -0.449 29.056 29.460 0.075 0.000 1.138 133 W HN 0.169 nan 8.180 nan 0.000 0.515 134 L N -0.245 121.089 121.223 0.184 0.000 2.046 134 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 134 L C 2.635 179.546 176.870 0.068 0.000 1.077 134 L CA 1.351 56.264 54.840 0.122 0.000 0.747 134 L CB -1.291 40.810 42.059 0.070 0.000 0.896 134 L HN 0.001 nan 8.230 nan 0.000 0.432 135 A N 0.065 122.823 122.820 -0.104 0.000 1.908 135 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 135 A C 2.246 179.670 177.584 -0.267 0.000 1.181 135 A CA 1.505 53.312 52.037 -0.383 0.000 0.627 135 A CB -0.747 17.606 19.000 -1.079 0.000 0.818 135 A HN 0.371 nan 8.150 nan 0.000 0.445 136 L N -0.262 120.899 121.223 -0.104 0.000 2.191 136 L HA -0.137 4.202 4.340 -0.000 0.000 0.212 136 L C 2.011 179.103 176.870 0.370 0.000 1.103 136 L CA 1.400 56.406 54.840 0.276 0.000 0.769 136 L CB -0.167 42.024 42.059 0.219 0.000 0.908 136 L HN 0.470 nan 8.230 nan 0.000 0.438 137 V N -3.996 116.091 119.914 0.289 0.000 3.376 137 V HA 0.518 4.638 4.120 -0.000 0.000 0.313 137 V C 1.089 177.330 176.094 0.245 0.000 1.393 137 V CA 0.191 62.688 62.300 0.328 0.000 1.125 137 V CB -0.235 31.775 31.823 0.311 0.000 1.037 137 V HN 0.416 nan 8.190 nan 0.000 0.440 138 G N 0.825 109.741 108.800 0.194 0.000 2.137 138 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.237 138 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.237 138 G C 0.296 175.286 174.900 0.151 0.000 1.002 138 G CA 0.432 45.628 45.100 0.159 0.000 0.702 138 G HN 0.536 nan 8.290 nan 0.000 0.515 139 E N -1.409 118.894 120.200 0.171 0.000 2.538 139 E HA 0.293 4.643 4.350 -0.000 0.000 0.207 139 E C -0.230 176.576 176.600 0.344 0.000 1.002 139 E CA -0.131 56.403 56.400 0.223 0.000 0.952 139 E CB 0.651 30.468 29.700 0.196 0.000 1.031 139 E HN 0.699 nan 8.360 nan 0.000 0.476 140 Y N 0.858 121.211 120.300 0.089 0.000 2.480 140 Y HA 0.266 4.816 4.550 -0.000 0.000 0.329 140 Y C -2.690 173.199 175.900 -0.018 0.000 1.127 140 Y CA -2.236 55.920 58.100 0.094 0.000 1.037 140 Y CB 1.846 40.342 38.460 0.061 0.000 1.320 140 Y HN -0.176 nan 8.280 nan 0.000 0.446 141 P HA -0.003 nan 4.420 nan 0.000 0.267 141 P C 0.149 177.359 177.300 -0.150 0.000 1.205 141 P CA 0.377 63.313 63.100 -0.273 0.000 0.765 141 P CB 0.678 32.182 31.700 -0.327 0.000 0.828 142 W N 1.944 123.254 121.300 0.017 0.000 2.392 142 W HA -0.138 4.522 4.660 -0.000 0.000 0.279 142 W C 1.984 178.566 176.519 0.105 0.000 1.225 142 W CA 0.832 58.242 57.345 0.107 0.000 1.233 142 W CB -0.374 29.146 29.460 0.100 0.000 1.122 142 W HN 0.470 nan 8.180 nan 0.000 0.561 143 E N 0.057 120.378 120.200 0.201 0.000 2.219 143 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 143 E C 1.718 178.113 176.600 -0.341 0.000 0.998 143 E CA 1.166 57.525 56.400 -0.068 0.000 0.818 143 E CB -0.134 29.521 29.700 -0.075 0.000 0.741 143 E HN 0.072 nan 8.360 nan 0.000 0.477 144 K N 0.137 120.459 120.400 -0.129 0.000 2.358 144 K HA 0.148 4.468 4.320 -0.000 0.000 0.197 144 K C -0.283 176.444 176.600 0.211 0.000 1.025 144 K CA 0.053 56.316 56.287 -0.039 0.000 1.104 144 K CB 0.978 33.423 32.500 -0.092 0.000 0.855 144 K HN -0.011 nan 8.250 nan 0.000 0.531 145 V N 4.538 124.633 119.914 0.302 0.000 2.432 145 V HA 0.129 4.249 4.120 -0.000 0.000 0.271 145 V C -2.265 174.107 176.094 0.463 0.000 1.046 145 V CA -1.954 60.566 62.300 0.367 0.000 0.945 145 V CB 0.721 32.759 31.823 0.358 0.000 0.992 145 V HN 0.008 nan 8.190 nan 0.000 0.471 146 P HA 0.017 nan 4.420 nan 0.000 0.264 146 P C -0.432 177.037 177.300 0.282 0.000 1.179 146 P CA -0.044 63.271 63.100 0.359 0.000 0.763 146 P CB 0.304 32.173 31.700 0.282 0.000 0.806 147 M N 4.721 124.386 119.600 0.108 0.000 2.129 147 M HA 0.285 4.765 4.480 -0.000 0.000 0.348 147 M C -1.447 174.759 176.300 -0.157 0.000 1.116 147 M CA -0.442 54.789 55.300 -0.115 0.000 1.022 147 M CB 0.741 33.093 32.600 -0.413 0.000 1.599 147 M HN -0.049 nan 8.290 nan 0.000 0.449 148 V N 9.365 129.128 119.914 -0.252 0.000 2.328 148 V HA 0.538 4.658 4.120 -0.000 0.000 0.278 148 V C -2.103 173.818 176.094 -0.289 0.000 1.021 148 V CA -1.235 60.859 62.300 -0.342 0.000 0.838 148 V CB 1.051 32.526 31.823 -0.580 0.000 0.999 148 V HN 0.777 nan 8.190 nan 0.000 0.447 149 P HA 0.322 nan 4.420 nan 0.000 0.286 149 P C -2.266 174.888 177.300 -0.243 0.000 1.261 149 P CA -2.113 60.852 63.100 -0.224 0.000 0.821 149 P CB 1.358 32.937 31.700 -0.202 0.000 1.013 150 P HA -0.136 nan 4.420 nan 0.000 0.221 150 P C 0.861 177.960 177.300 -0.335 0.000 1.145 150 P CA 1.368 64.311 63.100 -0.261 0.000 0.795 150 P CB 0.114 31.694 31.700 -0.199 0.000 0.775 151 E N -0.366 119.679 120.200 -0.260 0.000 2.409 151 E HA -0.064 4.285 4.350 -0.000 0.000 0.198 151 E C 1.909 178.372 176.600 -0.227 0.000 1.024 151 E CA 0.135 56.385 56.400 -0.249 0.000 0.861 151 E CB -1.054 28.637 29.700 -0.016 0.000 0.788 151 E HN 0.270 nan 8.360 nan 0.000 0.521 152 I N 0.307 120.736 120.570 -0.236 0.000 2.315 152 I HA -0.313 3.857 4.170 -0.000 0.000 0.251 152 I C 1.261 177.232 176.117 -0.243 0.000 1.125 152 I CA 1.000 62.174 61.300 -0.210 0.000 1.392 152 I CB 0.107 37.954 38.000 -0.255 0.000 1.065 152 I HN 0.183 nan 8.210 nan 0.000 0.424 153 M N -0.498 118.879 119.600 -0.371 0.000 2.460 153 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 153 M C 1.703 177.853 176.300 -0.250 0.000 1.071 153 M CA 1.318 56.396 55.300 -0.369 0.000 1.096 153 M CB -1.174 31.158 32.600 -0.447 0.000 1.408 153 M HN 0.198 nan 8.290 nan 0.000 0.463 154 F N 0.337 120.243 119.950 -0.073 0.000 2.615 154 F HA 0.151 4.677 4.527 -0.000 0.000 0.297 154 F C 1.073 176.842 175.800 -0.051 0.000 1.124 154 F CA -0.449 57.516 58.000 -0.060 0.000 1.451 154 F CB -0.878 38.073 39.000 -0.083 0.000 1.103 154 F HN -0.044 nan 8.300 nan 0.000 0.569 155 L N 0.596 121.879 121.223 0.101 0.000 2.477 155 L HA 0.204 4.544 4.340 -0.000 0.000 0.272 155 L C 1.219 178.133 176.870 0.072 0.000 1.157 155 L CA -0.281 54.596 54.840 0.062 0.000 0.889 155 L CB -0.357 41.718 42.059 0.028 0.000 1.158 155 L HN 0.101 nan 8.230 nan 0.000 0.473 156 G N 2.428 111.270 108.800 0.070 0.000 2.651 156 G HA2 0.109 4.068 3.960 -0.000 0.000 0.260 156 G HA3 0.109 4.068 3.960 -0.000 0.000 0.260 156 G C 0.620 175.575 174.900 0.092 0.000 1.216 156 G CA -0.496 44.651 45.100 0.078 0.000 0.913 156 G HN 0.678 nan 8.290 nan 0.000 0.535 157 K N -0.741 119.717 120.400 0.096 0.000 2.283 157 K HA -0.009 4.310 4.320 -0.000 0.000 0.202 157 K C 1.715 178.359 176.600 0.074 0.000 1.048 157 K CA 0.887 57.239 56.287 0.108 0.000 0.948 157 K CB 0.079 32.613 32.500 0.055 0.000 0.742 157 K HN 0.360 nan 8.250 nan 0.000 0.458 158 R N -0.120 120.408 120.500 0.047 0.000 2.935 158 R HA 0.316 4.656 4.340 -0.000 0.000 0.354 158 R C -0.395 175.920 176.300 0.026 0.000 1.206 158 R CA -0.068 56.050 56.100 0.031 0.000 1.082 158 R CB 0.327 30.637 30.300 0.016 0.000 1.431 158 R HN 0.071 nan 8.270 nan 0.000 0.582 159 M N 1.403 121.024 119.600 0.035 0.000 2.591 159 M HA 0.443 4.923 4.480 -0.000 0.000 0.306 159 M C -2.491 173.825 176.300 0.027 0.000 1.190 159 M CA -2.355 52.960 55.300 0.025 0.000 0.889 159 M CB 2.989 35.605 32.600 0.025 0.000 1.728 159 M HN -0.150 nan 8.290 nan 0.000 0.458 160 P HA 0.210 nan 4.420 nan 0.000 0.275 160 P C -0.062 177.261 177.300 0.039 0.000 1.227 160 P CA 0.031 63.145 63.100 0.023 0.000 0.781 160 P CB 0.711 32.426 31.700 0.025 0.000 0.906 161 L N -1.310 119.927 121.223 0.024 0.000 4.429 161 L HA -0.314 4.025 4.340 -0.000 0.000 0.422 161 L C 0.770 177.721 176.870 0.135 0.000 1.149 161 L CA 0.598 55.475 54.840 0.062 0.000 0.972 161 L CB -2.271 39.862 42.059 0.122 0.000 2.059 161 L HN 0.596 nan 8.230 nan 0.000 0.870 162 N N 0.986 119.735 118.700 0.083 0.000 2.415 162 N HA 0.296 5.036 4.740 -0.000 0.000 0.248 162 N C 1.462 177.030 175.510 0.096 0.000 1.271 162 N CA 0.057 53.148 53.050 0.069 0.000 0.913 162 N CB 0.493 39.030 38.487 0.083 0.000 1.129 162 N HN 0.342 nan 8.380 nan 0.000 0.444 163 I N -2.678 117.833 120.570 -0.097 0.000 2.567 163 I HA -0.182 3.988 4.170 -0.000 0.000 0.257 163 I C 0.383 176.375 176.117 -0.209 0.000 1.184 163 I CA 1.052 62.195 61.300 -0.262 0.000 1.451 163 I CB -0.508 37.066 38.000 -0.709 0.000 1.089 163 I HN 0.484 nan 8.210 nan 0.000 0.441 164 Y N 1.665 122.032 120.300 0.111 0.000 2.490 164 Y HA 0.151 4.701 4.550 -0.000 0.000 0.281 164 Y C 2.216 178.169 175.900 0.088 0.000 1.174 164 Y CA 0.243 58.413 58.100 0.117 0.000 1.295 164 Y CB -0.369 38.154 38.460 0.104 0.000 1.062 164 Y HN 0.288 nan 8.280 nan 0.000 0.522 165 E N -0.612 119.677 120.200 0.149 0.000 2.299 165 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 165 E C -0.211 176.323 176.600 -0.110 0.000 0.998 165 E CA 0.070 56.465 56.400 -0.009 0.000 0.851 165 E CB 0.105 29.732 29.700 -0.121 0.000 0.795 165 E HN 0.201 nan 8.360 nan 0.000 0.492 166 F N 0.943 120.837 119.950 -0.094 0.000 2.410 166 F HA 0.250 4.777 4.527 -0.000 0.000 0.334 166 F C 1.430 177.102 175.800 -0.214 0.000 1.134 166 F CA -0.283 57.619 58.000 -0.163 0.000 1.227 166 F CB 0.459 39.342 39.000 -0.196 0.000 1.194 166 F HN -0.174 nan 8.300 nan 0.000 0.571 167 G N 0.205 108.867 108.800 -0.231 0.000 2.606 167 G HA2 0.293 4.253 3.960 -0.000 0.000 0.252 167 G HA3 0.293 4.253 3.960 -0.000 0.000 0.252 167 G C 0.814 175.339 174.900 -0.624 0.000 1.206 167 G CA -0.008 44.751 45.100 -0.568 0.000 0.861 167 G HN 0.788 nan 8.290 nan 0.000 0.561 168 S N -0.274 115.132 115.700 -0.489 0.000 2.374 168 S HA -0.239 4.231 4.470 -0.000 0.000 0.227 168 S C 1.988 176.406 174.600 -0.302 0.000 1.037 168 S CA 2.220 60.244 58.200 -0.292 0.000 1.024 168 S CB -0.793 62.144 63.200 -0.439 0.000 0.861 168 S HN 0.939 nan 8.310 nan 0.000 0.456 169 W N 2.167 123.425 121.300 -0.071 0.000 2.388 169 W HA 0.336 4.996 4.660 -0.000 0.000 0.294 169 W C 2.415 179.008 176.519 0.123 0.000 1.212 169 W CA 0.603 57.965 57.345 0.028 0.000 1.271 169 W CB -0.930 28.635 29.460 0.175 0.000 1.126 169 W HN 0.335 nan 8.180 nan 0.000 0.535 170 A N 1.134 123.836 122.820 -0.197 0.000 1.968 170 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 170 A C 2.237 179.747 177.584 -0.124 0.000 1.169 170 A CA 1.509 53.563 52.037 0.028 0.000 0.638 170 A CB -0.831 18.194 19.000 0.043 0.000 0.812 170 A HN 0.404 nan 8.150 nan 0.000 0.446 171 R N -0.259 120.126 120.500 -0.192 0.000 2.082 171 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 171 R C 2.348 178.455 176.300 -0.321 0.000 1.136 171 R CA 1.600 57.512 56.100 -0.314 0.000 0.935 171 R CB -0.415 29.804 30.300 -0.135 0.000 0.842 171 R HN 0.429 nan 8.270 nan 0.000 0.430 172 A N -0.192 122.610 122.820 -0.030 0.000 1.933 172 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 172 A C 2.166 179.780 177.584 0.051 0.000 1.175 172 A CA 2.006 54.129 52.037 0.143 0.000 0.628 172 A CB -0.827 18.379 19.000 0.343 0.000 0.814 172 A HN 0.487 nan 8.150 nan 0.000 0.444 173 T N -0.320 114.294 114.554 0.099 0.000 2.684 173 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 173 T C 1.872 176.560 174.700 -0.021 0.000 1.036 173 T CA 1.657 63.876 62.100 0.199 0.000 1.148 173 T CB -0.519 68.582 68.868 0.389 0.000 0.863 173 T HN 0.145 nan 8.240 nan 0.000 0.436 174 V N 1.149 120.922 119.914 -0.234 0.000 2.287 174 V HA -0.165 3.954 4.120 -0.000 0.000 0.248 174 V C 2.671 178.482 176.094 -0.471 0.000 1.053 174 V CA 1.407 63.411 62.300 -0.493 0.000 1.027 174 V CB -0.647 30.702 31.823 -0.789 0.000 0.646 174 V HN 0.317 nan 8.190 nan 0.000 0.447 175 V N 0.147 119.767 119.914 -0.491 0.000 2.261 175 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 175 V C 2.691 178.610 176.094 -0.291 0.000 1.047 175 V CA 2.138 64.149 62.300 -0.482 0.000 1.015 175 V CB -1.185 30.219 31.823 -0.698 0.000 0.642 175 V HN 0.570 nan 8.190 nan 0.000 0.446 176 A N -0.331 122.372 122.820 -0.196 0.000 1.883 176 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 176 A C 2.194 179.693 177.584 -0.142 0.000 1.186 176 A CA 1.876 53.832 52.037 -0.134 0.000 0.624 176 A CB -0.601 18.367 19.000 -0.054 0.000 0.822 176 A HN 0.509 nan 8.150 nan 0.000 0.444 177 L N 0.559 121.670 121.223 -0.186 0.000 2.275 177 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 177 L C 2.913 179.620 176.870 -0.270 0.000 1.119 177 L CA 1.241 55.934 54.840 -0.246 0.000 0.790 177 L CB -0.407 41.454 42.059 -0.330 0.000 0.919 177 L HN 0.644 nan 8.230 nan 0.000 0.443 178 S N 0.137 115.655 115.700 -0.303 0.000 2.399 178 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 178 S C 1.842 176.301 174.600 -0.234 0.000 1.022 178 S CA 0.891 58.914 58.200 -0.295 0.000 0.983 178 S CB -0.441 62.561 63.200 -0.329 0.000 0.803 178 S HN 0.396 nan 8.310 nan 0.000 0.480 179 I N 1.042 121.493 120.570 -0.199 0.000 2.233 179 I HA -0.067 4.102 4.170 -0.000 0.000 0.243 179 I C 2.491 178.510 176.117 -0.164 0.000 1.093 179 I CA 0.773 61.979 61.300 -0.158 0.000 1.380 179 I CB -0.389 37.538 38.000 -0.121 0.000 1.067 179 I HN 0.192 nan 8.210 nan 0.000 0.413 180 V N 0.797 120.616 119.914 -0.159 0.000 2.295 180 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 180 V C 2.445 178.343 176.094 -0.326 0.000 1.049 180 V CA 1.900 64.103 62.300 -0.161 0.000 1.024 180 V CB -0.495 31.281 31.823 -0.079 0.000 0.648 180 V HN 0.385 nan 8.190 nan 0.000 0.447 181 M N -0.564 118.837 119.600 -0.332 0.000 2.319 181 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 181 M C 2.495 178.550 176.300 -0.408 0.000 1.068 181 M CA 1.523 56.544 55.300 -0.466 0.000 1.118 181 M CB -0.615 31.836 32.600 -0.248 0.000 1.395 181 M HN 0.420 nan 8.290 nan 0.000 0.435 182 S N 0.585 116.116 115.700 -0.283 0.000 2.380 182 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 182 S C 2.000 176.475 174.600 -0.209 0.000 1.043 182 S CA 1.356 59.435 58.200 -0.201 0.000 1.038 182 S CB -0.023 63.092 63.200 -0.143 0.000 0.872 182 S HN 0.383 nan 8.310 nan 0.000 0.456 183 R N 0.195 120.533 120.500 -0.270 0.000 2.237 183 R HA 0.246 4.586 4.340 -0.000 0.000 0.195 183 R C 0.317 176.385 176.300 -0.386 0.000 0.956 183 R CA 0.224 56.173 56.100 -0.251 0.000 1.029 183 R CB -0.613 29.576 30.300 -0.185 0.000 0.972 183 R HN 0.586 nan 8.270 nan 0.000 0.493 184 Q N 1.128 120.504 119.800 -0.708 0.000 2.439 184 Q HA -0.132 4.208 4.340 -0.000 0.000 0.325 184 Q C -2.108 173.503 176.000 -0.647 0.000 1.372 184 Q CA 0.155 55.197 55.803 -1.268 0.000 0.909 184 Q CB -1.359 26.818 28.738 -0.936 0.000 1.167 184 Q HN 0.302 nan 8.270 nan 0.000 0.418 185 P HA 0.253 nan 4.420 nan 0.000 0.275 185 P C -0.304 177.080 177.300 0.140 0.000 1.228 185 P CA -0.139 62.898 63.100 -0.105 0.000 0.786 185 P CB 1.307 32.998 31.700 -0.015 0.000 0.927 186 V N 3.423 123.260 119.914 -0.128 0.000 2.577 186 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 186 V C -0.537 175.382 176.094 -0.292 0.000 1.042 186 V CA -0.289 62.023 62.300 0.019 0.000 0.872 186 V CB 1.271 33.154 31.823 0.100 0.000 0.998 186 V HN 0.345 nan 8.190 nan 0.000 0.423 187 F N 5.526 125.559 119.950 0.138 0.000 2.363 187 F HA 0.458 4.985 4.527 -0.000 0.000 0.366 187 F C -2.281 173.665 175.800 0.244 0.000 1.083 187 F CA -2.444 55.609 58.000 0.088 0.000 1.176 187 F CB 1.386 40.352 39.000 -0.056 0.000 1.432 187 F HN 0.306 nan 8.300 nan 0.000 0.482 188 P HA 0.003 nan 4.420 nan 0.000 0.264 188 P C 0.150 177.678 177.300 0.380 0.000 1.193 188 P CA 0.141 63.413 63.100 0.287 0.000 0.763 188 P CB 0.626 32.431 31.700 0.176 0.000 0.810 189 L N 5.542 126.918 121.223 0.256 0.000 2.499 189 L HA 0.071 4.411 4.340 -0.000 0.000 0.281 189 L C -1.574 175.374 176.870 0.130 0.000 1.234 189 L CA -1.461 53.435 54.840 0.094 0.000 0.839 189 L CB -0.684 41.430 42.059 0.091 0.000 1.104 189 L HN 0.269 nan 8.230 nan 0.000 0.500 190 P HA -0.055 nan 4.420 nan 0.000 0.267 190 P C 0.386 177.730 177.300 0.074 0.000 1.200 190 P CA 0.008 63.157 63.100 0.082 0.000 0.772 190 P CB 0.528 32.247 31.700 0.033 0.000 0.855 191 E N 2.881 123.120 120.200 0.065 0.000 2.097 191 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 191 E C 1.788 178.424 176.600 0.060 0.000 1.000 191 E CA 1.500 57.938 56.400 0.063 0.000 0.804 191 E CB -0.047 29.684 29.700 0.052 0.000 0.740 191 E HN 0.398 nan 8.360 nan 0.000 0.454 192 R N -0.070 120.456 120.500 0.043 0.000 2.148 192 R HA 0.032 4.371 4.340 -0.000 0.000 0.227 192 R C 2.000 178.331 176.300 0.050 0.000 1.103 192 R CA 1.224 57.346 56.100 0.038 0.000 0.983 192 R CB -0.285 30.023 30.300 0.014 0.000 0.874 192 R HN 0.116 nan 8.270 nan 0.000 0.451 193 A N 1.283 124.137 122.820 0.057 0.000 2.238 193 A HA 0.129 4.449 4.320 -0.000 0.000 0.208 193 A C 0.452 178.111 177.584 0.124 0.000 1.177 193 A CA -0.301 51.789 52.037 0.089 0.000 0.804 193 A CB -0.180 18.888 19.000 0.113 0.000 0.823 193 A HN 0.206 nan 8.150 nan 0.000 0.482 194 R N -0.405 120.164 120.500 0.116 0.000 2.643 194 R HA 0.255 4.595 4.340 -0.000 0.000 0.270 194 R C -0.027 176.362 176.300 0.148 0.000 1.061 194 R CA 0.582 56.760 56.100 0.131 0.000 1.107 194 R CB 0.588 30.958 30.300 0.117 0.000 0.999 194 R HN 0.243 nan 8.270 nan 0.000 0.460 195 V N -0.123 119.885 119.914 0.157 0.000 2.666 195 V HA 0.213 4.333 4.120 -0.000 0.000 0.306 195 V C -1.979 174.195 176.094 0.133 0.000 1.156 195 V CA -1.221 61.167 62.300 0.147 0.000 1.274 195 V CB 0.821 32.720 31.823 0.127 0.000 1.536 195 V HN 0.670 nan 8.190 nan 0.000 0.640 196 P HA -0.184 nan 4.420 nan 0.000 0.219 196 P C 1.540 178.957 177.300 0.195 0.000 1.146 196 P CA 1.748 64.990 63.100 0.237 0.000 0.808 196 P CB 0.265 32.060 31.700 0.158 0.000 0.779 197 E N 0.706 120.965 120.200 0.098 0.000 2.331 197 E HA -0.147 4.202 4.350 -0.000 0.000 0.199 197 E C 1.736 178.311 176.600 -0.042 0.000 1.008 197 E CA 0.828 57.253 56.400 0.041 0.000 0.843 197 E CB -1.096 28.627 29.700 0.039 0.000 0.761 197 E HN 0.339 nan 8.360 nan 0.000 0.507 198 L N -0.381 120.770 121.223 -0.120 0.000 2.554 198 L HA 0.016 4.355 4.340 -0.000 0.000 0.226 198 L C 1.346 178.048 176.870 -0.280 0.000 1.137 198 L CA 0.461 55.143 54.840 -0.263 0.000 0.863 198 L CB -0.273 41.565 42.059 -0.370 0.000 0.985 198 L HN 0.030 nan 8.230 nan 0.000 0.451 199 Y N -0.335 119.956 120.300 -0.015 0.000 2.497 199 Y HA 0.078 4.628 4.550 -0.000 0.000 0.265 199 Y C 0.884 176.781 175.900 -0.004 0.000 1.111 199 Y CA -0.348 57.755 58.100 0.004 0.000 1.288 199 Y CB 0.223 38.699 38.460 0.026 0.000 1.082 199 Y HN 0.121 nan 8.280 nan 0.000 0.536 200 E N 1.327 121.602 120.200 0.124 0.000 1.865 200 E HA 0.196 4.546 4.350 -0.000 0.000 0.269 200 E C -0.075 176.547 176.600 0.037 0.000 1.177 200 E CA -0.015 56.433 56.400 0.079 0.000 0.932 200 E CB 0.456 30.195 29.700 0.065 0.000 1.066 200 E HN -0.008 nan 8.360 nan 0.000 0.405 201 T N 0.699 115.275 114.554 0.037 0.000 2.853 201 T HA 0.145 4.495 4.350 -0.000 0.000 0.311 201 T C -0.445 174.265 174.700 0.017 0.000 1.307 201 T CA -0.687 61.421 62.100 0.013 0.000 1.019 201 T CB 1.649 70.512 68.868 -0.009 0.000 1.264 201 T HN 0.089 nan 8.240 nan 0.000 0.497 202 D N 0.922 121.326 120.400 0.008 0.000 2.366 202 D HA 0.177 4.817 4.640 -0.000 0.000 0.205 202 D C 0.644 176.948 176.300 0.007 0.000 1.022 202 D CA 0.540 54.546 54.000 0.010 0.000 0.868 202 D CB 0.367 41.173 40.800 0.009 0.000 0.953 202 D HN 0.343 nan 8.370 nan 0.000 0.514 203 V N 3.780 123.693 119.914 -0.002 0.000 2.439 203 V HA 0.129 4.248 4.120 -0.000 0.000 0.271 203 V C -1.952 174.144 176.094 0.004 0.000 1.040 203 V CA -1.261 61.036 62.300 -0.005 0.000 1.002 203 V CB 0.684 32.493 31.823 -0.024 0.000 1.000 203 V HN -0.051 nan 8.190 nan 0.000 0.477 204 P HA 0.151 nan 4.420 nan 0.000 0.268 204 P C -2.465 174.846 177.300 0.018 0.000 1.208 204 P CA -0.907 62.205 63.100 0.020 0.000 0.777 204 P CB -0.294 31.418 31.700 0.021 0.000 0.875 205 P HA 0.002 nan 4.420 nan 0.000 0.266 205 P C -0.230 177.084 177.300 0.023 0.000 1.186 205 P CA 0.653 63.770 63.100 0.029 0.000 0.767 205 P CB 0.343 32.071 31.700 0.047 0.000 0.820 206 R N 2.666 123.175 120.500 0.016 0.000 2.664 206 R HA 0.233 4.573 4.340 -0.000 0.000 0.281 206 R C -0.076 176.241 176.300 0.029 0.000 1.383 206 R CA -0.435 55.677 56.100 0.021 0.000 1.563 206 R CB 0.326 30.633 30.300 0.011 0.000 1.131 206 R HN 0.367 nan 8.270 nan 0.000 0.599 207 R N 2.741 123.262 120.500 0.036 0.000 2.248 207 R HA 0.072 4.412 4.340 -0.000 0.000 0.337 207 R C 0.339 176.665 176.300 0.044 0.000 1.085 207 R CA -0.209 55.915 56.100 0.041 0.000 0.934 207 R CB 0.475 30.803 30.300 0.048 0.000 1.034 207 R HN 0.341 nan 8.270 nan 0.000 0.465 208 R N 1.752 122.278 120.500 0.042 0.000 2.539 208 R HA 0.391 4.730 4.340 -0.000 0.000 0.275 208 R C -0.066 176.256 176.300 0.037 0.000 1.077 208 R CA -0.331 55.795 56.100 0.044 0.000 1.097 208 R CB 0.855 31.185 30.300 0.050 0.000 1.018 208 R HN 0.576 nan 8.270 nan 0.000 0.483 209 G N 0.393 109.215 108.800 0.036 0.000 3.217 209 G HA2 0.544 4.503 3.960 -0.000 0.000 0.213 209 G HA3 0.544 4.503 3.960 -0.000 0.000 0.213 209 G C -0.918 173.986 174.900 0.007 0.000 1.294 209 G CA -0.631 44.489 45.100 0.032 0.000 0.987 209 G HN 0.835 nan 8.290 nan 0.000 0.584 210 A N -0.501 122.320 122.820 0.001 0.000 2.555 210 A HA 0.294 4.614 4.320 -0.000 0.000 0.233 210 A C 1.564 179.107 177.584 -0.068 0.000 1.060 210 A CA 0.655 52.662 52.037 -0.050 0.000 0.759 210 A CB 0.201 19.160 19.000 -0.067 0.000 0.995 210 A HN 0.662 nan 8.150 nan 0.000 0.506 211 K N 1.458 121.789 120.400 -0.116 0.000 2.218 211 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 211 K C 1.677 178.216 176.600 -0.102 0.000 1.046 211 K CA 2.397 58.620 56.287 -0.107 0.000 0.933 211 K CB -0.308 32.109 32.500 -0.139 0.000 0.728 211 K HN 0.780 nan 8.250 nan 0.000 0.454 212 G N -1.863 106.838 108.800 -0.165 0.000 2.641 212 G HA2 0.382 4.342 3.960 -0.000 0.000 0.207 212 G HA3 0.382 4.342 3.960 -0.000 0.000 0.207 212 G C 0.299 175.226 174.900 0.045 0.000 1.137 212 G CA 0.311 45.348 45.100 -0.106 0.000 0.824 212 G HN 0.564 nan 8.290 nan 0.000 0.547 213 G N -1.961 106.901 108.800 0.103 0.000 2.325 213 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 213 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 213 G C -0.689 174.334 174.900 0.204 0.000 1.448 213 G CA -0.046 45.151 45.100 0.162 0.000 0.838 213 G HN 0.766 nan 8.290 nan 0.000 0.579 214 G N -0.304 108.585 108.800 0.148 0.000 2.448 214 G HA2 0.625 4.585 3.960 -0.000 0.000 0.309 214 G HA3 0.625 4.585 3.960 -0.000 0.000 0.309 214 G C 0.484 175.481 174.900 0.161 0.000 1.027 214 G CA 0.546 45.737 45.100 0.151 0.000 1.104 214 G HN 1.176 nan 8.290 nan 0.000 0.428 215 G N 2.343 111.247 108.800 0.172 0.000 2.348 215 G HA2 0.401 4.361 3.960 -0.000 0.000 0.312 215 G HA3 0.401 4.361 3.960 -0.000 0.000 0.312 215 G C 0.948 175.937 174.900 0.148 0.000 1.126 215 G CA -0.757 44.423 45.100 0.132 0.000 0.865 215 G HN 0.743 nan 8.290 nan 0.000 0.474 216 W N 3.113 124.457 121.300 0.073 0.000 2.402 216 W HA -0.081 4.579 4.660 -0.000 0.000 0.286 216 W C 1.190 177.707 176.519 -0.003 0.000 1.221 216 W CA 0.343 57.713 57.345 0.041 0.000 1.257 216 W CB -0.569 28.897 29.460 0.010 0.000 1.120 216 W HN 0.376 nan 8.180 nan 0.000 0.551 217 I N 0.801 120.691 120.570 -1.132 0.000 2.194 217 I HA -0.323 3.846 4.170 -0.000 0.000 0.246 217 I C 2.403 178.137 176.117 -0.637 0.000 1.093 217 I CA 2.002 62.569 61.300 -1.222 0.000 1.355 217 I CB -1.099 36.004 38.000 -1.496 0.000 1.046 217 I HN -0.129 nan 8.210 nan 0.000 0.413 218 F N 0.834 120.655 119.950 -0.214 0.000 2.293 218 F HA -0.098 4.428 4.527 -0.000 0.000 0.297 218 F C 2.261 178.063 175.800 0.003 0.000 1.089 218 F CA 0.705 58.658 58.000 -0.078 0.000 1.377 218 F CB -0.687 38.291 39.000 -0.037 0.000 1.051 218 F HN 0.023 nan 8.300 nan 0.000 0.511 219 D N 0.670 121.192 120.400 0.204 0.000 2.123 219 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 219 D C 2.345 178.737 176.300 0.153 0.000 0.992 219 D CA 1.589 55.698 54.000 0.182 0.000 0.833 219 D CB -0.486 40.431 40.800 0.195 0.000 0.954 219 D HN 0.256 nan 8.370 nan 0.000 0.455 220 A N 0.431 123.331 122.820 0.135 0.000 1.897 220 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 220 A C 2.166 179.792 177.584 0.071 0.000 1.181 220 A CA 0.767 52.880 52.037 0.127 0.000 0.620 220 A CB -0.702 18.412 19.000 0.190 0.000 0.821 220 A HN 0.234 nan 8.150 nan 0.000 0.443 221 L N 0.438 121.669 121.223 0.013 0.000 2.042 221 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 221 L C 1.952 178.849 176.870 0.044 0.000 1.076 221 L CA 2.772 57.610 54.840 -0.003 0.000 0.749 221 L CB -0.585 41.452 42.059 -0.035 0.000 0.893 221 L HN 0.509 nan 8.230 nan 0.000 0.432 222 D N -1.066 119.395 120.400 0.101 0.000 2.117 222 D HA -0.247 4.393 4.640 -0.000 0.000 0.197 222 D C 2.300 178.724 176.300 0.206 0.000 0.987 222 D CA 1.053 55.142 54.000 0.148 0.000 0.829 222 D CB -0.013 40.908 40.800 0.203 0.000 0.961 222 D HN 0.110 nan 8.370 nan 0.000 0.460 223 R N 0.028 120.634 120.500 0.177 0.000 2.092 223 R HA 0.116 4.455 4.340 -0.000 0.000 0.231 223 R C 1.989 178.378 176.300 0.147 0.000 1.119 223 R CA 1.426 57.631 56.100 0.174 0.000 0.970 223 R CB -0.692 29.683 30.300 0.125 0.000 0.864 223 R HN 0.197 nan 8.270 nan 0.000 0.440 224 A N 0.079 122.958 122.820 0.098 0.000 1.930 224 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 224 A C 2.118 179.739 177.584 0.063 0.000 1.175 224 A CA 1.188 53.268 52.037 0.071 0.000 0.627 224 A CB -0.485 18.532 19.000 0.029 0.000 0.815 224 A HN 0.327 nan 8.150 nan 0.000 0.443 225 L N -1.515 119.718 121.223 0.017 0.000 2.093 225 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 225 L C 2.549 179.393 176.870 -0.043 0.000 1.085 225 L CA 0.997 55.800 54.840 -0.061 0.000 0.755 225 L CB -0.628 41.342 42.059 -0.150 0.000 0.904 225 L HN 0.459 nan 8.230 nan 0.000 0.435 226 H N -0.417 118.689 119.070 0.060 0.000 2.428 226 H HA -0.033 4.523 4.556 -0.000 0.000 0.296 226 H C 2.172 177.539 175.328 0.064 0.000 1.062 226 H CA 1.289 57.375 56.048 0.063 0.000 1.350 226 H CB -0.048 29.755 29.762 0.069 0.000 1.403 226 H HN 0.345 nan 8.280 nan 0.000 0.533 227 G N 0.054 108.965 108.800 0.186 0.000 2.433 227 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 227 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 227 G C 1.635 176.609 174.900 0.124 0.000 1.186 227 G CA 0.561 45.742 45.100 0.134 0.000 0.779 227 G HN 0.391 nan 8.290 nan 0.000 0.543 228 Y N 1.123 121.410 120.300 -0.021 0.000 2.193 228 Y HA -0.210 4.340 4.550 -0.000 0.000 0.285 228 Y C 3.089 178.897 175.900 -0.153 0.000 1.166 228 Y CA 2.088 60.134 58.100 -0.091 0.000 1.181 228 Y CB -0.003 38.366 38.460 -0.151 0.000 0.976 228 Y HN 0.137 nan 8.280 nan 0.000 0.520 229 Q N 0.456 120.246 119.800 -0.015 0.000 2.096 229 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 229 Q C 2.133 178.176 176.000 0.071 0.000 0.982 229 Q CA 1.585 57.367 55.803 -0.035 0.000 0.850 229 Q CB -0.325 28.427 28.738 0.023 0.000 0.901 229 Q HN 0.454 nan 8.270 nan 0.000 0.422 230 K N 0.105 120.542 120.400 0.062 0.000 2.366 230 K HA 0.039 4.359 4.320 -0.000 0.000 0.198 230 K C 0.623 177.247 176.600 0.040 0.000 1.044 230 K CA -0.033 56.286 56.287 0.053 0.000 0.973 230 K CB -0.003 32.523 32.500 0.043 0.000 0.767 230 K HN 0.170 nan 8.250 nan 0.000 0.475 231 L N 0.837 122.092 121.223 0.053 0.000 2.467 231 L HA -0.059 4.281 4.340 -0.000 0.000 0.270 231 L C 1.674 178.509 176.870 -0.058 0.000 1.205 231 L CA -0.111 54.731 54.840 0.005 0.000 0.828 231 L CB 1.009 43.038 42.059 -0.050 0.000 1.101 231 L HN 0.084 nan 8.230 nan 0.000 0.479 232 S N 0.058 115.662 115.700 -0.160 0.000 2.458 232 S HA 0.038 4.507 4.470 -0.000 0.000 0.223 232 S C 0.396 174.741 174.600 -0.425 0.000 1.019 232 S CA -0.118 57.921 58.200 -0.268 0.000 0.937 232 S CB -0.175 62.928 63.200 -0.160 0.000 0.788 232 S HN 0.399 nan 8.310 nan 0.000 0.511 233 V N 0.919 120.644 119.914 -0.315 0.000 2.347 233 V HA 0.570 4.690 4.120 -0.000 0.000 0.280 233 V C -1.035 174.973 176.094 -0.143 0.000 1.021 233 V CA -0.886 61.266 62.300 -0.246 0.000 0.847 233 V CB 0.154 31.909 31.823 -0.113 0.000 0.990 233 V HN 0.418 nan 8.190 nan 0.000 0.444 234 H N 5.518 124.507 119.070 -0.136 0.000 2.736 234 H HA 0.434 4.990 4.556 -0.000 0.000 0.271 234 H C -2.573 172.796 175.328 0.069 0.000 1.184 234 H CA -2.039 53.957 56.048 -0.088 0.000 1.378 234 H CB 1.667 31.388 29.762 -0.068 0.000 1.428 234 H HN 0.581 nan 8.280 nan 0.000 0.500 235 P HA -0.078 nan 4.420 nan 0.000 0.268 235 P C 0.055 177.550 177.300 0.324 0.000 1.204 235 P CA 0.080 63.269 63.100 0.149 0.000 0.768 235 P CB 0.506 32.321 31.700 0.191 0.000 0.842 236 F N -0.686 119.343 119.950 0.131 0.000 2.914 236 F HA -0.265 4.262 4.527 -0.000 0.000 0.304 236 F C 1.934 177.901 175.800 0.279 0.000 0.712 236 F CA 1.331 59.440 58.000 0.181 0.000 1.211 236 F CB -1.683 37.375 39.000 0.097 0.000 1.515 236 F HN 0.360 nan 8.300 nan 0.000 0.350 237 R N 1.032 121.721 120.500 0.315 0.000 2.062 237 R HA -0.058 4.281 4.340 -0.000 0.000 0.229 237 R C 2.303 178.687 176.300 0.140 0.000 1.128 237 R CA 1.670 57.915 56.100 0.243 0.000 0.960 237 R CB -0.267 30.182 30.300 0.248 0.000 0.855 237 R HN 0.409 nan 8.270 nan 0.000 0.432 238 R N 0.106 120.668 120.500 0.103 0.000 2.096 238 R HA -0.170 4.169 4.340 -0.000 0.000 0.240 238 R C 2.084 178.433 176.300 0.082 0.000 1.139 238 R CA 1.839 57.974 56.100 0.058 0.000 0.952 238 R CB -0.436 29.880 30.300 0.027 0.000 0.854 238 R HN 0.367 nan 8.270 nan 0.000 0.436 239 A N 0.492 123.411 122.820 0.166 0.000 1.940 239 A HA -0.131 4.188 4.320 -0.000 0.000 0.219 239 A C 2.336 180.010 177.584 0.149 0.000 1.176 239 A CA 1.771 53.947 52.037 0.232 0.000 0.631 239 A CB -0.736 18.515 19.000 0.418 0.000 0.814 239 A HN 0.569 nan 8.150 nan 0.000 0.446 240 A N -0.355 122.498 122.820 0.054 0.000 1.898 240 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 240 A C 1.920 179.365 177.584 -0.231 0.000 1.181 240 A CA 1.633 53.429 52.037 -0.403 0.000 0.620 240 A CB -0.506 18.172 19.000 -0.536 0.000 0.819 240 A HN 0.623 nan 8.150 nan 0.000 0.442 241 E N -0.437 119.699 120.200 -0.106 0.000 2.110 241 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 241 E C 1.806 178.373 176.600 -0.055 0.000 0.988 241 E CA 1.167 57.515 56.400 -0.086 0.000 0.804 241 E CB -0.245 29.424 29.700 -0.051 0.000 0.745 241 E HN 0.706 nan 8.360 nan 0.000 0.458 242 I N 0.562 121.121 120.570 -0.018 0.000 2.315 242 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 242 I C 2.449 178.577 176.117 0.018 0.000 1.117 242 I CA 0.848 62.155 61.300 0.013 0.000 1.404 242 I CB -0.132 37.892 38.000 0.041 0.000 1.071 242 I HN 0.018 nan 8.210 nan 0.000 0.419 243 R N 0.661 121.155 120.500 -0.011 0.000 2.091 243 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 243 R C 2.433 178.739 176.300 0.009 0.000 1.136 243 R CA 1.586 57.683 56.100 -0.004 0.000 0.959 243 R CB -0.442 29.804 30.300 -0.090 0.000 0.856 243 R HN 0.375 nan 8.270 nan 0.000 0.437 244 A N 1.226 124.005 122.820 -0.068 0.000 1.873 244 A HA -0.158 4.161 4.320 -0.000 0.000 0.215 244 A C 2.091 179.705 177.584 0.049 0.000 1.186 244 A CA 1.040 53.036 52.037 -0.068 0.000 0.616 244 A CB -0.533 18.373 19.000 -0.156 0.000 0.823 244 A HN 0.253 nan 8.150 nan 0.000 0.442 245 L N 0.197 121.434 121.223 0.022 0.000 2.012 245 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 245 L C 1.659 178.591 176.870 0.103 0.000 1.073 245 L CA 2.697 57.562 54.840 0.042 0.000 0.748 245 L CB -0.722 41.343 42.059 0.012 0.000 0.891 245 L HN 0.340 nan 8.230 nan 0.000 0.431 246 D N -1.308 119.156 120.400 0.108 0.000 2.117 246 D HA -0.252 4.388 4.640 -0.000 0.000 0.197 246 D C 1.779 178.171 176.300 0.154 0.000 0.987 246 D CA 1.509 55.578 54.000 0.115 0.000 0.829 246 D CB -0.479 40.379 40.800 0.098 0.000 0.961 246 D HN 0.596 nan 8.370 nan 0.000 0.460 247 W N 1.381 122.688 121.300 0.012 0.000 2.338 247 W HA -0.142 4.518 4.660 -0.000 0.000 0.304 247 W C 2.061 178.633 176.519 0.089 0.000 1.212 247 W CA 1.203 58.562 57.345 0.023 0.000 1.264 247 W CB -0.270 29.180 29.460 -0.016 0.000 1.142 247 W HN -0.071 nan 8.180 nan 0.000 0.512 248 L N -0.157 121.330 121.223 0.440 0.000 2.027 248 L HA -0.234 4.105 4.340 -0.000 0.000 0.206 248 L C 2.485 179.647 176.870 0.487 0.000 1.074 248 L CA 1.137 56.248 54.840 0.452 0.000 0.745 248 L CB -1.123 41.047 42.059 0.185 0.000 0.898 248 L HN 0.039 nan 8.230 nan 0.000 0.433 249 L N -0.322 121.071 121.223 0.283 0.000 2.079 249 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 249 L C 2.468 179.407 176.870 0.114 0.000 1.081 249 L CA 1.378 56.352 54.840 0.223 0.000 0.752 249 L CB -0.521 41.621 42.059 0.138 0.000 0.896 249 L HN 0.299 nan 8.230 nan 0.000 0.433 250 E N -0.179 120.022 120.200 0.003 0.000 2.150 250 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 250 E C 1.999 178.442 176.600 -0.261 0.000 0.985 250 E CA 0.890 57.200 56.400 -0.150 0.000 0.814 250 E CB 0.096 29.637 29.700 -0.266 0.000 0.752 250 E HN 0.389 nan 8.360 nan 0.000 0.466 251 R N 0.236 120.604 120.500 -0.220 0.000 2.397 251 R HA 0.117 4.457 4.340 -0.000 0.000 0.241 251 R C 0.313 176.625 176.300 0.020 0.000 0.914 251 R CA -0.194 55.781 56.100 -0.208 0.000 1.071 251 R CB 0.413 30.464 30.300 -0.415 0.000 1.116 251 R HN 0.078 nan 8.270 nan 0.000 0.524 252 Q N 1.393 121.100 119.800 -0.155 0.000 2.283 252 Q HA 0.104 4.444 4.340 -0.000 0.000 0.301 252 Q C -0.572 175.198 176.000 -0.383 0.000 1.063 252 Q CA -0.176 55.194 55.803 -0.722 0.000 0.952 252 Q CB 0.770 29.050 28.738 -0.763 0.000 1.166 252 Q HN 0.213 nan 8.270 nan 0.000 0.381 253 A N 3.179 125.710 122.820 -0.480 0.000 2.332 253 A HA 0.375 4.694 4.320 -0.000 0.000 0.258 253 A C 1.152 178.559 177.584 -0.296 0.000 1.087 253 A CA 0.144 51.995 52.037 -0.310 0.000 0.802 253 A CB 0.417 19.255 19.000 -0.271 0.000 1.042 253 A HN 1.024 nan 8.150 nan 0.000 0.489 254 G N 0.191 108.862 108.800 -0.215 0.000 2.462 254 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 254 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 254 G C 0.719 175.538 174.900 -0.134 0.000 1.121 254 G CA 1.339 46.344 45.100 -0.159 0.000 0.758 254 G HN 0.890 nan 8.290 nan 0.000 0.559 255 D N -0.814 119.501 120.400 -0.143 0.000 2.349 255 D HA 0.223 4.863 4.640 -0.000 0.000 0.224 255 D C 1.737 177.949 176.300 -0.147 0.000 1.029 255 D CA 0.830 54.779 54.000 -0.085 0.000 0.879 255 D CB -0.413 40.402 40.800 0.025 0.000 0.906 255 D HN 0.492 nan 8.370 nan 0.000 0.528 256 G N -0.049 108.577 108.800 -0.290 0.000 2.234 256 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.235 256 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.235 256 G C 0.509 174.946 174.900 -0.771 0.000 0.997 256 G CA 0.406 45.309 45.100 -0.329 0.000 0.623 256 G HN 0.854 nan 8.290 nan 0.000 0.514 257 S N -0.411 114.559 115.700 -1.216 0.000 2.634 257 S HA 0.599 5.068 4.470 -0.000 0.000 0.261 257 S C -0.011 174.004 174.600 -0.975 0.000 1.271 257 S CA -0.323 56.759 58.200 -1.864 0.000 0.985 257 S CB 1.011 63.087 63.200 -1.875 0.000 0.968 257 S HN 0.494 nan 8.310 nan 0.000 0.568 258 W N 0.285 121.331 121.300 -0.425 0.000 2.361 258 W HA 0.484 5.144 4.660 -0.000 0.000 0.314 258 W C 0.968 177.474 176.519 -0.022 0.000 1.041 258 W CA 0.021 57.326 57.345 -0.066 0.000 1.241 258 W CB 1.019 30.534 29.460 0.092 0.000 1.279 258 W HN 1.303 nan 8.180 nan 0.000 0.436 259 G N 1.807 110.686 108.800 0.132 0.000 2.155 259 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 259 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 259 G C 1.010 175.976 174.900 0.111 0.000 0.983 259 G CA 0.420 45.546 45.100 0.042 0.000 0.676 259 G HN 1.494 nan 8.290 nan 0.000 0.528 260 G N -0.739 108.114 108.800 0.088 0.000 2.233 260 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.270 260 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.270 260 G C 0.414 175.534 174.900 0.367 0.000 1.011 260 G CA 1.255 46.485 45.100 0.216 0.000 0.762 260 G HN 2.248 nan 8.290 nan 0.000 0.511 261 I N -5.061 115.688 120.570 0.298 0.000 2.730 261 I HA 0.559 4.729 4.170 -0.000 0.000 0.298 261 I C 1.004 177.324 176.117 0.339 0.000 1.089 261 I CA -1.181 60.305 61.300 0.310 0.000 1.041 261 I CB 1.674 39.784 38.000 0.184 0.000 1.235 261 I HN -0.051 nan 8.210 nan 0.000 0.423 262 Q N 3.348 123.288 119.800 0.233 0.000 2.084 262 Q HA -0.062 4.277 4.340 -0.000 0.000 0.202 262 Q C -1.017 174.800 176.000 -0.305 0.000 0.978 262 Q CA 2.315 58.091 55.803 -0.044 0.000 0.844 262 Q CB -1.048 27.561 28.738 -0.215 0.000 0.898 262 Q HN 0.668 nan 8.270 nan 0.000 0.426 263 P HA -0.087 nan 4.420 nan 0.000 0.213 263 P C -1.625 175.564 177.300 -0.186 0.000 1.170 263 P CA 2.041 64.940 63.100 -0.335 0.000 0.893 263 P CB -1.277 30.365 31.700 -0.097 0.000 0.784 264 P HA -0.163 nan 4.420 nan 0.000 0.221 264 P C 1.496 178.998 177.300 0.337 0.000 1.150 264 P CA 1.067 64.330 63.100 0.272 0.000 0.800 264 P CB -0.461 31.417 31.700 0.296 0.000 0.787 265 W N 0.902 122.343 121.300 0.235 0.000 2.333 265 W HA -0.162 4.498 4.660 -0.000 0.000 0.316 265 W C 1.923 178.667 176.519 0.375 0.000 1.215 265 W CA 0.992 58.589 57.345 0.420 0.000 1.278 265 W CB -1.489 28.208 29.460 0.395 0.000 1.154 265 W HN -0.157 nan 8.180 nan 0.000 0.486 266 F N -0.533 119.479 119.950 0.104 0.000 2.146 266 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 266 F C 2.262 178.066 175.800 0.007 0.000 1.096 266 F CA 1.123 59.092 58.000 -0.051 0.000 1.275 266 F CB -1.795 37.128 39.000 -0.129 0.000 1.008 266 F HN -0.127 nan 8.300 nan 0.000 0.480 267 Y N -0.052 120.419 120.300 0.284 0.000 2.242 267 Y HA -0.036 4.514 4.550 -0.000 0.000 0.291 267 Y C 2.526 178.416 175.900 -0.017 0.000 1.137 267 Y CA 0.393 58.542 58.100 0.081 0.000 1.181 267 Y CB -1.591 36.902 38.460 0.054 0.000 0.989 267 Y HN 0.016 nan 8.280 nan 0.000 0.527 268 A N 0.021 122.857 122.820 0.026 0.000 1.930 268 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 268 A C 2.307 179.824 177.584 -0.112 0.000 1.175 268 A CA 1.237 53.082 52.037 -0.320 0.000 0.627 268 A CB -1.037 17.233 19.000 -1.218 0.000 0.815 268 A HN 0.448 nan 8.150 nan 0.000 0.443 269 L N -0.644 120.644 121.223 0.108 0.000 2.093 269 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 269 L C 2.440 179.457 176.870 0.245 0.000 1.085 269 L CA 1.156 56.145 54.840 0.248 0.000 0.755 269 L CB -0.463 41.716 42.059 0.201 0.000 0.904 269 L HN 0.377 nan 8.230 nan 0.000 0.435 270 I N -0.258 120.396 120.570 0.140 0.000 2.252 270 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 270 I C 2.806 178.967 176.117 0.074 0.000 1.102 270 I CA 1.069 62.417 61.300 0.080 0.000 1.385 270 I CB -0.434 37.603 38.000 0.062 0.000 1.064 270 I HN 0.190 nan 8.210 nan 0.000 0.414 271 A N 1.046 123.896 122.820 0.049 0.000 1.883 271 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 271 A C 2.303 179.895 177.584 0.012 0.000 1.186 271 A CA 1.550 53.588 52.037 0.002 0.000 0.624 271 A CB -0.895 18.072 19.000 -0.054 0.000 0.822 271 A HN 0.381 nan 8.150 nan 0.000 0.444 272 L N -0.899 120.358 121.223 0.057 0.000 2.046 272 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 272 L C 2.618 179.480 176.870 -0.013 0.000 1.077 272 L CA 1.786 56.672 54.840 0.076 0.000 0.747 272 L CB -0.432 41.792 42.059 0.274 0.000 0.896 272 L HN 0.391 nan 8.230 nan 0.000 0.432 273 K N 1.590 121.985 120.400 -0.008 0.000 2.020 273 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 273 K C 1.878 178.459 176.600 -0.031 0.000 1.050 273 K CA 2.082 58.299 56.287 -0.118 0.000 0.929 273 K CB -0.589 31.875 32.500 -0.060 0.000 0.714 273 K HN 0.499 nan 8.250 nan 0.000 0.443 274 I N -1.939 118.655 120.570 0.040 0.000 2.928 274 I HA -0.012 4.157 4.170 -0.000 0.000 0.266 274 I C 1.190 177.301 176.117 -0.011 0.000 1.234 274 I CA 0.901 62.230 61.300 0.048 0.000 1.483 274 I CB -0.170 37.873 38.000 0.070 0.000 1.097 274 I HN 0.003 nan 8.210 nan 0.000 0.455 275 L N 1.601 122.810 121.223 -0.023 0.000 2.627 275 L HA 0.095 4.435 4.340 -0.000 0.000 0.233 275 L C -0.049 176.799 176.870 -0.036 0.000 1.144 275 L CA 0.244 55.066 54.840 -0.030 0.000 0.892 275 L CB -0.649 41.394 42.059 -0.026 0.000 1.039 275 L HN 0.250 nan 8.230 nan 0.000 0.442 276 D N -0.022 120.344 120.400 -0.057 0.000 2.746 276 D HA -0.222 4.418 4.640 -0.000 0.000 0.236 276 D C 0.528 176.783 176.300 -0.075 0.000 1.129 276 D CA 1.026 54.982 54.000 -0.073 0.000 0.691 276 D CB -0.991 39.781 40.800 -0.047 0.000 1.077 276 D HN 0.358 nan 8.370 nan 0.000 0.432 277 M N -0.490 119.048 119.600 -0.103 0.000 2.673 277 M HA 0.041 4.521 4.480 -0.000 0.000 0.334 277 M C 1.742 177.964 176.300 -0.130 0.000 1.211 277 M CA 0.106 55.386 55.300 -0.034 0.000 0.962 277 M CB 0.409 33.019 32.600 0.017 0.000 1.343 277 M HN 0.075 nan 8.290 nan 0.000 0.511 278 T N -2.552 111.772 114.554 -0.383 0.000 3.007 278 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 278 T C 1.506 176.118 174.700 -0.147 0.000 1.107 278 T CA 0.871 62.538 62.100 -0.722 0.000 1.118 278 T CB 0.001 68.410 68.868 -0.765 0.000 0.889 278 T HN 0.312 nan 8.240 nan 0.000 0.506 279 Q N 0.273 120.060 119.800 -0.022 0.000 2.360 279 Q HA 0.139 4.479 4.340 -0.000 0.000 0.202 279 Q C 0.349 176.429 176.000 0.134 0.000 0.915 279 Q CA 0.097 55.939 55.803 0.065 0.000 0.943 279 Q CB -0.171 28.581 28.738 0.024 0.000 1.064 279 Q HN 0.693 nan 8.270 nan 0.000 0.511 280 H N 2.686 121.818 119.070 0.103 0.000 2.683 280 H HA 0.055 4.611 4.556 -0.000 0.000 0.339 280 H C -1.569 173.880 175.328 0.201 0.000 1.081 280 H CA -1.660 54.472 56.048 0.139 0.000 1.432 280 H CB 1.560 31.410 29.762 0.146 0.000 1.462 280 H HN -0.150 nan 8.280 nan 0.000 0.557 281 P HA -0.160 nan 4.420 nan 0.000 0.217 281 P C 1.126 178.645 177.300 0.365 0.000 1.148 281 P CA 1.794 65.015 63.100 0.201 0.000 0.828 281 P CB -0.010 31.717 31.700 0.044 0.000 0.783 282 A N -0.739 122.452 122.820 0.618 0.000 1.908 282 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 282 A C 2.154 180.010 177.584 0.453 0.000 1.181 282 A CA 1.443 53.747 52.037 0.444 0.000 0.627 282 A CB -1.772 17.471 19.000 0.405 0.000 0.818 282 A HN 0.175 nan 8.150 nan 0.000 0.445 283 F N 0.313 120.485 119.950 0.370 0.000 2.146 283 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 283 F C 1.946 177.950 175.800 0.341 0.000 1.096 283 F CA 1.571 59.774 58.000 0.337 0.000 1.275 283 F CB -0.175 38.963 39.000 0.229 0.000 1.008 283 F HN 0.165 nan 8.300 nan 0.000 0.480 284 I N 0.296 121.124 120.570 0.429 0.000 2.142 284 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 284 I C 2.391 178.654 176.117 0.243 0.000 1.078 284 I CA 1.568 63.068 61.300 0.333 0.000 1.343 284 I CB -0.485 37.687 38.000 0.286 0.000 1.046 284 I HN 0.039 nan 8.210 nan 0.000 0.405 285 K N 1.419 121.942 120.400 0.205 0.000 2.057 285 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 285 K C 1.973 178.678 176.600 0.175 0.000 1.049 285 K CA 1.728 58.105 56.287 0.150 0.000 0.931 285 K CB -0.989 31.565 32.500 0.090 0.000 0.714 285 K HN 0.319 nan 8.250 nan 0.000 0.440 286 G N 0.340 109.269 108.800 0.215 0.000 2.418 286 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 286 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 286 G C 1.452 176.617 174.900 0.442 0.000 1.158 286 G CA 0.778 46.124 45.100 0.409 0.000 0.771 286 G HN 0.520 nan 8.290 nan 0.000 0.545 287 W N 1.365 122.613 121.300 -0.086 0.000 2.378 287 W HA -0.045 4.615 4.660 -0.000 0.000 0.313 287 W C 2.162 178.699 176.519 0.030 0.000 1.197 287 W CA 1.510 58.755 57.345 -0.166 0.000 1.304 287 W CB -0.068 29.176 29.460 -0.360 0.000 1.148 287 W HN 0.357 nan 8.180 nan 0.000 0.494 288 E N -0.271 119.940 120.200 0.019 0.000 2.153 288 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 288 E C 2.341 178.956 176.600 0.024 0.000 0.988 288 E CA 1.149 57.526 56.400 -0.039 0.000 0.811 288 E CB -0.695 29.070 29.700 0.107 0.000 0.746 288 E HN 0.355 nan 8.360 nan 0.000 0.466 289 G N 0.940 109.846 108.800 0.176 0.000 2.509 289 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 289 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 289 G C 1.490 176.670 174.900 0.467 0.000 1.124 289 G CA 0.166 45.466 45.100 0.332 0.000 0.776 289 G HN 0.109 nan 8.290 nan 0.000 0.547 290 L N 0.190 121.539 121.223 0.209 0.000 2.127 290 L HA -0.065 4.274 4.340 -0.000 0.000 0.211 290 L C 2.755 179.747 176.870 0.203 0.000 1.089 290 L CA 0.827 55.667 54.840 0.000 0.000 0.757 290 L CB -0.213 41.670 42.059 -0.293 0.000 0.899 290 L HN 0.122 nan 8.230 nan 0.000 0.434 291 E N 0.010 120.287 120.200 0.130 0.000 2.204 291 E HA -0.227 4.122 4.350 -0.000 0.000 0.195 291 E C 2.122 178.867 176.600 0.241 0.000 0.990 291 E CA 0.937 57.440 56.400 0.171 0.000 0.821 291 E CB -0.268 29.484 29.700 0.087 0.000 0.750 291 E HN 0.324 nan 8.360 nan 0.000 0.477 292 L N -0.056 121.361 121.223 0.323 0.000 2.127 292 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 292 L C 1.664 178.777 176.870 0.405 0.000 1.089 292 L CA 1.562 56.631 54.840 0.382 0.000 0.757 292 L CB -0.321 42.005 42.059 0.445 0.000 0.899 292 L HN 0.050 nan 8.230 nan 0.000 0.434 293 Y N -0.657 119.684 120.300 0.069 0.000 2.500 293 Y HA 0.375 4.925 4.550 -0.000 0.000 0.270 293 Y C 1.630 177.218 175.900 -0.520 0.000 1.134 293 Y CA -0.327 57.632 58.100 -0.234 0.000 1.293 293 Y CB -0.792 37.319 38.460 -0.581 0.000 1.063 293 Y HN 0.117 nan 8.280 nan 0.000 0.534 294 G N 0.341 109.060 108.800 -0.135 0.000 2.467 294 G HA2 0.452 4.412 3.960 -0.000 0.000 0.257 294 G HA3 0.452 4.412 3.960 -0.000 0.000 0.257 294 G C -1.103 173.580 174.900 -0.363 0.000 1.227 294 G CA -0.148 44.764 45.100 -0.312 0.000 0.835 294 G HN -0.083 nan 8.290 nan 0.000 0.556 295 V N 2.349 121.826 119.914 -0.729 0.000 2.525 295 V HA 0.263 4.383 4.120 -0.000 0.000 0.299 295 V C -0.531 175.314 176.094 -0.415 0.000 1.034 295 V CA -1.039 60.979 62.300 -0.469 0.000 0.863 295 V CB 1.742 33.294 31.823 -0.451 0.000 0.999 295 V HN 0.724 nan 8.190 nan 0.000 0.423 296 E N 4.774 124.890 120.200 -0.141 0.000 2.290 296 E HA 0.385 4.735 4.350 -0.000 0.000 0.277 296 E C -0.670 175.830 176.600 -0.168 0.000 1.035 296 E CA -0.128 56.245 56.400 -0.045 0.000 0.873 296 E CB 1.701 31.413 29.700 0.019 0.000 1.029 296 E HN 0.493 nan 8.360 nan 0.000 0.419 297 L N 2.804 123.876 121.223 -0.251 0.000 2.357 297 L HA 0.089 4.429 4.340 -0.000 0.000 0.273 297 L C 1.647 178.313 176.870 -0.340 0.000 1.080 297 L CA -0.770 53.847 54.840 -0.371 0.000 0.803 297 L CB 0.715 42.385 42.059 -0.650 0.000 1.174 297 L HN 0.450 nan 8.230 nan 0.000 0.443 298 D N 1.214 121.481 120.400 -0.221 0.000 2.158 298 D HA -0.312 4.328 4.640 -0.000 0.000 0.197 298 D C 1.564 177.839 176.300 -0.042 0.000 0.995 298 D CA 1.811 55.758 54.000 -0.089 0.000 0.846 298 D CB -0.512 40.285 40.800 -0.004 0.000 0.941 298 D HN 0.672 nan 8.370 nan 0.000 0.456 299 Y N -1.346 118.961 120.300 0.012 0.000 2.578 299 Y HA 0.445 4.994 4.550 -0.000 0.000 0.297 299 Y C 1.677 177.607 175.900 0.051 0.000 1.176 299 Y CA -0.173 57.951 58.100 0.039 0.000 1.315 299 Y CB -0.189 38.307 38.460 0.060 0.000 1.031 299 Y HN 0.148 nan 8.280 nan 0.000 0.524 300 G N -0.776 107.938 108.800 -0.144 0.000 2.192 300 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.193 300 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.193 300 G C 0.584 175.450 174.900 -0.057 0.000 0.999 300 G CA -0.328 44.756 45.100 -0.026 0.000 0.659 300 G HN 0.913 nan 8.290 nan 0.000 0.503 301 G N -1.119 107.460 108.800 -0.369 0.000 2.547 301 G HA2 0.526 4.485 3.960 -0.000 0.000 0.291 301 G HA3 0.526 4.485 3.960 -0.000 0.000 0.291 301 G C -0.690 174.186 174.900 -0.041 0.000 1.211 301 G CA -0.326 44.706 45.100 -0.113 0.000 0.950 301 G HN 0.841 nan 8.290 nan 0.000 0.504 302 W N 0.821 122.018 121.300 -0.172 0.000 3.032 302 W HA 0.672 5.331 4.660 -0.000 0.000 0.335 302 W C -0.396 175.832 176.519 -0.486 0.000 1.154 302 W CA -1.106 56.081 57.345 -0.263 0.000 1.204 302 W CB 1.796 31.147 29.460 -0.182 0.000 1.416 302 W HN 0.695 nan 8.180 nan 0.000 0.521 303 M N 4.532 123.387 119.600 -1.241 0.000 2.619 303 M HA 0.667 5.147 4.480 -0.000 0.000 0.297 303 M C -2.138 173.191 176.300 -1.619 0.000 1.229 303 M CA -0.873 53.619 55.300 -1.348 0.000 0.860 303 M CB 2.931 34.974 32.600 -0.928 0.000 1.741 303 M HN 0.440 nan 8.290 nan 0.000 0.462 304 F N 1.492 120.769 119.950 -1.122 0.000 2.467 304 F HA 0.473 5.000 4.527 -0.000 0.000 0.336 304 F C -0.600 175.031 175.800 -0.282 0.000 1.123 304 F CA -0.250 57.324 58.000 -0.711 0.000 0.964 304 F CB 1.905 40.653 39.000 -0.422 0.000 1.136 304 F HN 0.670 nan 8.300 nan 0.000 0.447 305 Q N 4.714 124.178 119.800 -0.559 0.000 2.288 305 Q HA 0.345 4.685 4.340 -0.000 0.000 0.258 305 Q C 0.923 176.959 176.000 0.059 0.000 0.957 305 Q CA 0.118 55.801 55.803 -0.200 0.000 0.919 305 Q CB 1.677 30.300 28.738 -0.193 0.000 1.185 305 Q HN 0.935 nan 8.270 nan 0.000 0.408 306 A N 2.692 125.616 122.820 0.174 0.000 1.940 306 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 306 A C 1.045 178.796 177.584 0.280 0.000 1.176 306 A CA 1.677 53.866 52.037 0.254 0.000 0.631 306 A CB 0.205 19.381 19.000 0.292 0.000 0.814 306 A HN 0.578 nan 8.150 nan 0.000 0.446 307 S N -2.658 113.192 115.700 0.251 0.000 2.672 307 S HA 0.620 5.089 4.470 -0.000 0.000 0.271 307 S C -1.348 173.359 174.600 0.179 0.000 1.171 307 S CA -0.172 58.233 58.200 0.340 0.000 0.817 307 S CB 0.859 64.254 63.200 0.325 0.000 1.150 307 S HN 0.831 nan 8.310 nan 0.000 0.478 308 I N 0.439 121.052 120.570 0.071 0.000 2.608 308 I HA 0.708 4.878 4.170 -0.000 0.000 0.295 308 I C 0.061 175.886 176.117 -0.488 0.000 1.049 308 I CA -0.668 60.553 61.300 -0.132 0.000 1.063 308 I CB 2.438 40.199 38.000 -0.399 0.000 1.248 308 I HN 0.547 nan 8.210 nan 0.000 0.424 309 S N 2.550 117.945 115.700 -0.508 0.000 2.651 309 S HA 0.400 4.870 4.470 -0.000 0.000 0.246 309 S C -1.541 172.700 174.600 -0.598 0.000 1.039 309 S CA -0.762 56.811 58.200 -1.045 0.000 1.013 309 S CB -0.432 62.573 63.200 -0.325 0.000 0.861 309 S HN 0.700 nan 8.310 nan 0.000 0.485 310 P HA -0.052 nan 4.420 nan 0.000 0.217 310 P C 1.510 178.704 177.300 -0.177 0.000 1.150 310 P CA 0.792 63.549 63.100 -0.572 0.000 0.832 310 P CB -0.005 30.820 31.700 -1.458 0.000 0.787 311 V N -0.167 119.651 119.914 -0.161 0.000 2.270 311 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 311 V C 2.545 178.731 176.094 0.153 0.000 1.043 311 V CA 1.703 64.075 62.300 0.119 0.000 1.014 311 V CB -1.535 30.337 31.823 0.082 0.000 0.645 311 V HN 0.177 nan 8.190 nan 0.000 0.447 312 W N 1.367 122.616 121.300 -0.085 0.000 2.317 312 W HA -0.260 4.400 4.660 -0.000 0.000 0.318 312 W C 2.232 178.761 176.519 0.017 0.000 1.227 312 W CA 2.229 59.586 57.345 0.020 0.000 1.269 312 W CB -0.236 29.337 29.460 0.189 0.000 1.155 312 W HN 0.359 nan 8.180 nan 0.000 0.484 313 D N -0.453 119.993 120.400 0.077 0.000 2.149 313 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 313 D C 2.045 178.305 176.300 -0.068 0.000 0.990 313 D CA 2.169 56.172 54.000 0.004 0.000 0.839 313 D CB -0.743 40.174 40.800 0.194 0.000 0.948 313 D HN 0.160 nan 8.370 nan 0.000 0.460 314 T N -0.001 114.596 114.554 0.071 0.000 2.737 314 T HA -0.047 4.302 4.350 -0.000 0.000 0.265 314 T C 2.015 176.679 174.700 -0.061 0.000 1.038 314 T CA 1.390 63.594 62.100 0.174 0.000 1.144 314 T CB -0.545 68.491 68.868 0.281 0.000 0.866 314 T HN 0.252 nan 8.240 nan 0.000 0.434 315 G N 1.290 110.013 108.800 -0.127 0.000 2.422 315 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 315 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 315 G C 1.489 176.117 174.900 -0.454 0.000 1.146 315 G CA 0.448 45.398 45.100 -0.249 0.000 0.769 315 G HN 0.428 nan 8.290 nan 0.000 0.547 316 L N 0.604 121.479 121.223 -0.581 0.000 2.056 316 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 316 L C 3.402 179.848 176.870 -0.706 0.000 1.078 316 L CA 0.918 55.318 54.840 -0.734 0.000 0.749 316 L CB -0.461 41.052 42.059 -0.909 0.000 0.901 316 L HN 0.277 nan 8.230 nan 0.000 0.433 317 A N -0.135 122.226 122.820 -0.765 0.000 1.940 317 A HA -0.163 4.156 4.320 -0.000 0.000 0.219 317 A C 2.362 179.448 177.584 -0.830 0.000 1.176 317 A CA 1.880 53.282 52.037 -1.059 0.000 0.631 317 A CB -0.860 16.879 19.000 -2.102 0.000 0.814 317 A HN 0.199 nan 8.150 nan 0.000 0.446 318 V N -0.046 119.504 119.914 -0.606 0.000 2.343 318 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 318 V C 2.539 178.401 176.094 -0.387 0.000 1.051 318 V CA 1.978 64.059 62.300 -0.365 0.000 1.036 318 V CB -0.684 31.018 31.823 -0.201 0.000 0.654 318 V HN 0.581 nan 8.190 nan 0.000 0.451 319 L N -0.198 120.724 121.223 -0.502 0.000 2.141 319 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 319 L C 2.650 179.260 176.870 -0.434 0.000 1.094 319 L CA 1.329 55.831 54.840 -0.563 0.000 0.763 319 L CB -0.680 40.880 42.059 -0.831 0.000 0.908 319 L HN 0.361 nan 8.230 nan 0.000 0.437 320 A N 0.105 122.665 122.820 -0.434 0.000 1.897 320 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 320 A C 2.163 179.602 177.584 -0.243 0.000 1.181 320 A CA 1.131 52.971 52.037 -0.328 0.000 0.620 320 A CB -0.542 18.236 19.000 -0.369 0.000 0.821 320 A HN 0.356 nan 8.150 nan 0.000 0.443 321 L N -1.177 119.882 121.223 -0.273 0.000 2.291 321 L HA -0.057 4.283 4.340 -0.000 0.000 0.214 321 L C 2.716 179.494 176.870 -0.154 0.000 1.120 321 L CA 0.438 55.160 54.840 -0.198 0.000 0.799 321 L CB -0.370 41.563 42.059 -0.210 0.000 0.925 321 L HN 0.243 nan 8.230 nan 0.000 0.446 322 R N 0.240 120.640 120.500 -0.167 0.000 2.066 322 R HA 0.074 4.414 4.340 -0.000 0.000 0.224 322 R C 2.393 178.638 176.300 -0.091 0.000 1.122 322 R CA 1.243 57.271 56.100 -0.120 0.000 0.974 322 R CB -0.719 29.499 30.300 -0.136 0.000 0.871 322 R HN 0.267 nan 8.270 nan 0.000 0.435 323 A N 1.562 124.315 122.820 -0.112 0.000 1.873 323 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 323 A C 2.336 179.901 177.584 -0.032 0.000 1.193 323 A CA 2.264 54.263 52.037 -0.064 0.000 0.629 323 A CB -0.797 18.156 19.000 -0.077 0.000 0.826 323 A HN 0.355 nan 8.150 nan 0.000 0.447 324 A N -2.426 120.370 122.820 -0.040 0.000 2.070 324 A HA 0.297 4.617 4.320 -0.000 0.000 0.220 324 A C 1.971 179.560 177.584 0.008 0.000 1.159 324 A CA 1.961 53.998 52.037 0.001 0.000 0.656 324 A CB -0.739 18.257 19.000 -0.006 0.000 0.800 324 A HN 1.952 nan 8.150 nan 0.000 0.453 325 G N -3.077 105.712 108.800 -0.019 0.000 2.318 325 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.172 325 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.172 325 G C -0.096 174.791 174.900 -0.022 0.000 1.002 325 G CA -0.132 44.963 45.100 -0.007 0.000 0.697 325 G HN 0.272 nan 8.290 nan 0.000 0.483 326 L N 3.207 124.393 121.223 -0.061 0.000 2.506 326 L HA 0.371 4.711 4.340 -0.000 0.000 0.281 326 L C -1.054 175.805 176.870 -0.017 0.000 1.228 326 L CA -0.873 53.919 54.840 -0.080 0.000 0.850 326 L CB 0.003 41.928 42.059 -0.223 0.000 1.110 326 L HN 0.067 nan 8.230 nan 0.000 0.496 327 P HA 0.097 nan 4.420 nan 0.000 0.274 327 P C -0.142 177.193 177.300 0.059 0.000 1.256 327 P CA -0.399 62.732 63.100 0.052 0.000 0.795 327 P CB 0.589 32.331 31.700 0.071 0.000 1.038 328 A N 1.219 124.063 122.820 0.039 0.000 2.019 328 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 328 A C 1.325 178.940 177.584 0.053 0.000 1.164 328 A CA 2.057 54.114 52.037 0.034 0.000 0.644 328 A CB -1.177 17.836 19.000 0.021 0.000 0.805 328 A HN 0.668 nan 8.150 nan 0.000 0.449 329 D N -2.141 118.296 120.400 0.061 0.000 2.402 329 D HA -0.012 4.628 4.640 -0.000 0.000 0.216 329 D C 0.451 176.788 176.300 0.062 0.000 1.128 329 D CA -0.507 53.525 54.000 0.052 0.000 0.833 329 D CB -0.996 39.822 40.800 0.029 0.000 0.971 329 D HN 0.492 nan 8.370 nan 0.000 0.503 330 H N 2.308 121.387 119.070 0.014 0.000 3.094 330 H HA -0.073 4.483 4.556 -0.000 0.000 0.320 330 H C 1.049 176.389 175.328 0.020 0.000 1.000 330 H CA 1.019 57.077 56.048 0.016 0.000 1.413 330 H CB 1.123 30.896 29.762 0.019 0.000 1.405 330 H HN 0.145 nan 8.280 nan 0.000 0.586 331 D N 5.208 125.381 120.400 -0.378 0.000 2.149 331 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 331 D C 1.446 177.723 176.300 -0.038 0.000 0.990 331 D CA 0.937 54.828 54.000 -0.183 0.000 0.839 331 D CB 0.074 40.737 40.800 -0.228 0.000 0.948 331 D HN 0.379 nan 8.370 nan 0.000 0.460 332 R N 0.096 120.637 120.500 0.070 0.000 2.153 332 R HA 0.199 4.539 4.340 -0.000 0.000 0.218 332 R C 2.588 179.007 176.300 0.199 0.000 1.072 332 R CA 0.109 56.296 56.100 0.145 0.000 0.990 332 R CB -0.791 29.636 30.300 0.212 0.000 0.889 332 R HN 0.364 nan 8.270 nan 0.000 0.452 333 L N 0.002 121.395 121.223 0.284 0.000 2.156 333 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 333 L C 2.189 179.145 176.870 0.144 0.000 1.095 333 L CA 0.621 55.585 54.840 0.206 0.000 0.770 333 L CB -0.315 41.841 42.059 0.162 0.000 0.914 333 L HN -0.100 nan 8.230 nan 0.000 0.439 334 V N 0.008 119.988 119.914 0.110 0.000 2.379 334 V HA -0.241 3.878 4.120 -0.000 0.000 0.245 334 V C 2.521 178.668 176.094 0.089 0.000 1.044 334 V CA 1.641 63.989 62.300 0.081 0.000 1.036 334 V CB -0.367 31.485 31.823 0.047 0.000 0.664 334 V HN 0.344 nan 8.190 nan 0.000 0.453 335 K N 1.133 121.576 120.400 0.071 0.000 2.103 335 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 335 K C 2.011 178.682 176.600 0.119 0.000 1.048 335 K CA 1.760 58.087 56.287 0.065 0.000 0.930 335 K CB -0.579 31.921 32.500 0.000 0.000 0.716 335 K HN 0.406 nan 8.250 nan 0.000 0.444 336 A N -0.131 122.765 122.820 0.127 0.000 1.898 336 A HA 0.032 4.351 4.320 -0.000 0.000 0.216 336 A C 2.421 180.173 177.584 0.281 0.000 1.181 336 A CA 1.681 53.843 52.037 0.208 0.000 0.620 336 A CB -1.259 17.912 19.000 0.285 0.000 0.819 336 A HN 0.472 nan 8.150 nan 0.000 0.442 337 G N -0.471 108.448 108.800 0.197 0.000 2.402 337 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.216 337 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.216 337 G C 1.374 176.378 174.900 0.174 0.000 1.162 337 G CA 0.889 46.088 45.100 0.165 0.000 0.777 337 G HN 0.479 nan 8.290 nan 0.000 0.539 338 E N -0.216 120.083 120.200 0.165 0.000 2.153 338 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 338 E C 1.995 178.709 176.600 0.190 0.000 0.988 338 E CA 0.813 57.301 56.400 0.146 0.000 0.811 338 E CB -0.267 29.505 29.700 0.120 0.000 0.746 338 E HN 0.703 nan 8.360 nan 0.000 0.466 339 W N 1.433 122.776 121.300 0.073 0.000 2.379 339 W HA -0.115 4.544 4.660 -0.000 0.000 0.307 339 W C 2.000 178.577 176.519 0.096 0.000 1.200 339 W CA 1.155 58.552 57.345 0.087 0.000 1.297 339 W CB -0.377 29.155 29.460 0.120 0.000 1.140 339 W HN -0.045 nan 8.180 nan 0.000 0.507 340 L N 0.283 121.684 121.223 0.297 0.000 2.191 340 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 340 L C 2.455 179.377 176.870 0.086 0.000 1.103 340 L CA 0.892 55.794 54.840 0.104 0.000 0.769 340 L CB -0.827 41.325 42.059 0.154 0.000 0.908 340 L HN 0.079 nan 8.230 nan 0.000 0.438 341 L N -0.527 120.753 121.223 0.095 0.000 2.046 341 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 341 L C 1.871 178.746 176.870 0.008 0.000 1.077 341 L CA 1.110 56.011 54.840 0.102 0.000 0.747 341 L CB -0.576 41.531 42.059 0.080 0.000 0.896 341 L HN 0.296 nan 8.230 nan 0.000 0.432 342 D N -0.274 120.072 120.400 -0.089 0.000 2.378 342 D HA -0.085 4.554 4.640 -0.000 0.000 0.222 342 D C 2.016 178.173 176.300 -0.238 0.000 0.980 342 D CA 0.563 54.467 54.000 -0.160 0.000 0.907 342 D CB 0.060 40.748 40.800 -0.186 0.000 0.899 342 D HN 0.231 nan 8.370 nan 0.000 0.527 343 R N 0.203 120.559 120.500 -0.239 0.000 2.280 343 R HA 0.087 4.427 4.340 -0.000 0.000 0.195 343 R C 0.890 177.031 176.300 -0.264 0.000 0.935 343 R CA -0.117 55.832 56.100 -0.250 0.000 1.033 343 R CB -0.046 30.095 30.300 -0.265 0.000 0.964 343 R HN 0.311 nan 8.270 nan 0.000 0.489 344 Q N 1.175 120.761 119.800 -0.356 0.000 2.337 344 Q HA 0.148 4.487 4.340 -0.000 0.000 0.270 344 Q C -0.575 175.093 176.000 -0.554 0.000 1.002 344 Q CA 0.163 55.453 55.803 -0.857 0.000 0.888 344 Q CB 0.580 28.945 28.738 -0.622 0.000 1.222 344 Q HN 0.070 nan 8.270 nan 0.000 0.400 345 I N 2.739 122.939 120.570 -0.617 0.000 2.396 345 I HA 0.101 4.271 4.170 -0.000 0.000 0.292 345 I C 0.828 176.762 176.117 -0.306 0.000 0.999 345 I CA -0.012 61.053 61.300 -0.392 0.000 1.310 345 I CB 1.598 39.384 38.000 -0.358 0.000 1.404 345 I HN 0.679 nan 8.210 nan 0.000 0.496 346 T N 4.605 119.048 114.554 -0.185 0.000 3.043 346 T HA 0.241 4.590 4.350 -0.000 0.000 0.272 346 T C -0.240 174.442 174.700 -0.030 0.000 0.990 346 T CA -0.071 61.965 62.100 -0.107 0.000 0.897 346 T CB 0.151 68.955 68.868 -0.105 0.000 1.111 346 T HN 0.421 nan 8.240 nan 0.000 0.529 347 V N -0.555 119.353 119.914 -0.010 0.000 2.962 347 V HA 0.791 4.911 4.120 -0.000 0.000 0.313 347 V C -3.151 173.006 176.094 0.105 0.000 1.099 347 V CA -3.124 59.198 62.300 0.036 0.000 0.971 347 V CB 1.566 33.394 31.823 0.008 0.000 1.028 347 V HN -0.180 nan 8.190 nan 0.000 0.430 348 P HA 0.431 nan 4.420 nan 0.000 0.268 348 P C 0.191 177.313 177.300 -0.297 0.000 1.204 348 P CA 0.675 63.617 63.100 -0.264 0.000 0.768 348 P CB 0.821 32.324 31.700 -0.328 0.000 0.842 349 G N 1.268 109.640 108.800 -0.713 0.000 2.887 349 G HA2 0.186 4.146 3.960 -0.000 0.000 0.277 349 G HA3 0.186 4.146 3.960 -0.000 0.000 0.277 349 G C 0.256 174.729 174.900 -0.712 0.000 1.346 349 G CA -0.422 44.396 45.100 -0.471 0.000 1.058 349 G HN 0.246 nan 8.290 nan 0.000 0.535 350 D N -0.266 119.910 120.400 -0.373 0.000 2.218 350 D HA -0.102 4.537 4.640 -0.000 0.000 0.204 350 D C 2.256 178.527 176.300 -0.049 0.000 0.976 350 D CA 1.103 55.034 54.000 -0.115 0.000 0.853 350 D CB -0.122 40.837 40.800 0.265 0.000 0.939 350 D HN 0.648 nan 8.370 nan 0.000 0.481 351 W N 0.919 122.326 121.300 0.179 0.000 2.387 351 W HA -0.061 4.599 4.660 -0.000 0.000 0.272 351 W C 1.553 178.136 176.519 0.105 0.000 1.224 351 W CA 0.772 58.233 57.345 0.194 0.000 1.210 351 W CB -0.961 28.692 29.460 0.322 0.000 1.125 351 W HN -0.053 nan 8.180 nan 0.000 0.572 352 A N 1.251 123.759 122.820 -0.520 0.000 2.168 352 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 352 A C 2.171 179.632 177.584 -0.206 0.000 1.152 352 A CA 1.390 53.154 52.037 -0.454 0.000 0.716 352 A CB -0.685 17.782 19.000 -0.888 0.000 0.794 352 A HN 0.135 nan 8.150 nan 0.000 0.465 353 V N 0.283 120.063 119.914 -0.223 0.000 2.287 353 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 353 V C 2.485 178.524 176.094 -0.091 0.000 1.053 353 V CA 2.186 64.346 62.300 -0.233 0.000 1.027 353 V CB -0.421 31.145 31.823 -0.429 0.000 0.646 353 V HN 0.430 nan 8.190 nan 0.000 0.447 354 K N -0.271 120.130 120.400 0.002 0.000 2.243 354 K HA 0.090 4.410 4.320 -0.000 0.000 0.201 354 K C 0.949 177.588 176.600 0.065 0.000 1.051 354 K CA 0.600 56.912 56.287 0.042 0.000 0.970 354 K CB 0.080 32.626 32.500 0.077 0.000 0.755 354 K HN 0.273 nan 8.250 nan 0.000 0.465 355 R N 0.999 121.581 120.500 0.136 0.000 2.629 355 R HA 0.174 4.514 4.340 -0.000 0.000 0.277 355 R C -2.169 174.239 176.300 0.180 0.000 1.637 355 R CA -1.376 54.830 56.100 0.176 0.000 1.663 355 R CB 1.015 31.471 30.300 0.261 0.000 1.228 355 R HN -0.043 nan 8.270 nan 0.000 0.632 356 P HA -0.044 nan 4.420 nan 0.000 0.229 356 P C 0.204 177.542 177.300 0.063 0.000 1.160 356 P CA 0.854 63.966 63.100 0.021 0.000 0.777 356 P CB 0.488 32.179 31.700 -0.016 0.000 0.814 357 N N -0.577 118.180 118.700 0.094 0.000 2.203 357 N HA 0.082 4.822 4.740 -0.000 0.000 0.207 357 N C 0.333 175.933 175.510 0.150 0.000 1.130 357 N CA -0.211 52.898 53.050 0.098 0.000 0.861 357 N CB 0.352 38.877 38.487 0.064 0.000 1.005 357 N HN 0.174 nan 8.380 nan 0.000 0.507 358 L N 1.721 123.086 121.223 0.236 0.000 2.331 358 L HA 0.208 4.548 4.340 -0.000 0.000 0.278 358 L C 0.488 177.596 176.870 0.397 0.000 1.106 358 L CA -0.402 54.606 54.840 0.280 0.000 0.824 358 L CB 0.612 42.829 42.059 0.264 0.000 1.142 358 L HN -0.120 nan 8.230 nan 0.000 0.443 359 K N 6.717 127.294 120.400 0.294 0.000 2.379 359 K HA 0.303 4.623 4.320 -0.000 0.000 0.284 359 K C -2.280 174.535 176.600 0.358 0.000 1.044 359 K CA -1.393 55.062 56.287 0.279 0.000 0.974 359 K CB 0.594 33.200 32.500 0.176 0.000 0.962 359 K HN 0.422 nan 8.250 nan 0.000 0.474 360 P HA 0.031 nan 4.420 nan 0.000 0.265 360 P C -0.115 177.126 177.300 -0.098 0.000 1.193 360 P CA 0.085 63.290 63.100 0.175 0.000 0.765 360 P CB 0.967 32.786 31.700 0.198 0.000 0.823 361 G N 1.694 110.212 108.800 -0.469 0.000 4.802 361 G HA2 0.316 4.276 3.960 -0.000 0.000 0.238 361 G HA3 0.316 4.276 3.960 -0.000 0.000 0.238 361 G C 0.368 174.869 174.900 -0.666 0.000 0.974 361 G CA 0.102 44.962 45.100 -0.400 0.000 0.798 361 G HN 0.723 nan 8.290 nan 0.000 0.301 362 G N -0.212 107.827 108.800 -1.269 0.000 2.621 362 G HA2 0.563 4.523 3.960 -0.000 0.000 0.271 362 G HA3 0.563 4.523 3.960 -0.000 0.000 0.271 362 G C -1.031 173.374 174.900 -0.825 0.000 1.236 362 G CA -0.537 43.810 45.100 -1.254 0.000 0.958 362 G HN 0.070 nan 8.290 nan 0.000 0.512 363 F N -0.670 119.076 119.950 -0.340 0.000 2.565 363 F HA 0.626 5.153 4.527 -0.000 0.000 0.313 363 F C 0.640 176.399 175.800 -0.070 0.000 1.091 363 F CA -0.552 57.355 58.000 -0.156 0.000 0.915 363 F CB 2.291 41.254 39.000 -0.061 0.000 1.208 363 F HN 0.666 nan 8.300 nan 0.000 0.453 364 A N 2.082 124.987 122.820 0.142 0.000 2.248 364 A HA 0.482 4.802 4.320 -0.000 0.000 0.316 364 A C 0.164 177.878 177.584 0.216 0.000 1.101 364 A CA -0.258 51.885 52.037 0.177 0.000 0.875 364 A CB 0.274 19.353 19.000 0.132 0.000 1.207 364 A HN 0.837 nan 8.150 nan 0.000 0.504 365 F N -0.369 119.605 119.950 0.041 0.000 2.219 365 F HA 0.077 4.604 4.527 -0.000 0.000 0.294 365 F C 1.252 177.001 175.800 -0.086 0.000 1.086 365 F CA 1.308 59.309 58.000 0.003 0.000 1.330 365 F CB -0.178 38.803 39.000 -0.031 0.000 1.047 365 F HN 0.627 nan 8.300 nan 0.000 0.495 366 Q N -0.864 118.917 119.800 -0.031 0.000 2.177 366 Q HA 0.199 4.539 4.340 -0.000 0.000 0.183 366 Q C 0.917 176.707 176.000 -0.350 0.000 1.040 366 Q CA -0.091 55.542 55.803 -0.282 0.000 1.089 366 Q CB -0.100 28.625 28.738 -0.022 0.000 1.130 366 Q HN 0.179 nan 8.270 nan 0.000 0.575 367 F N -0.116 119.688 119.950 -0.243 0.000 2.187 367 F HA 0.035 4.561 4.527 -0.000 0.000 0.295 367 F C 0.223 175.908 175.800 -0.191 0.000 1.091 367 F CA 0.992 58.850 58.000 -0.237 0.000 1.308 367 F CB 0.473 39.305 39.000 -0.281 0.000 1.030 367 F HN 0.266 nan 8.300 nan 0.000 0.487 368 D N -0.220 120.207 120.400 0.046 0.000 2.386 368 D HA 0.155 4.794 4.640 -0.000 0.000 0.247 368 D C -1.065 175.195 176.300 -0.067 0.000 1.336 368 D CA -0.025 53.946 54.000 -0.049 0.000 0.976 368 D CB 1.020 41.780 40.800 -0.067 0.000 1.257 368 D HN -0.019 nan 8.370 nan 0.000 0.570 369 N N 2.127 120.779 118.700 -0.080 0.000 2.679 369 N HA -0.008 4.732 4.740 -0.000 0.000 0.240 369 N C 0.846 176.299 175.510 -0.094 0.000 1.537 369 N CA -0.240 52.789 53.050 -0.034 0.000 0.793 369 N CB 0.616 39.165 38.487 0.103 0.000 1.391 369 N HN 0.138 nan 8.380 nan 0.000 0.524 370 V N -0.470 119.244 119.914 -0.334 0.000 2.594 370 V HA -0.056 4.063 4.120 -0.000 0.000 0.253 370 V C 1.112 176.974 176.094 -0.386 0.000 1.069 370 V CA 1.302 63.340 62.300 -0.435 0.000 1.082 370 V CB -1.001 30.456 31.823 -0.609 0.000 0.680 370 V HN 0.268 nan 8.190 nan 0.000 0.469 371 Y N -0.722 119.489 120.300 -0.148 0.000 2.511 371 Y HA 0.353 4.903 4.550 -0.000 0.000 0.279 371 Y C 0.620 176.153 175.900 -0.611 0.000 1.157 371 Y CA -0.581 57.264 58.100 -0.425 0.000 1.300 371 Y CB -0.403 37.676 38.460 -0.635 0.000 1.052 371 Y HN 0.396 nan 8.280 nan 0.000 0.529 372 Y N 0.520 120.991 120.300 0.286 0.000 2.501 372 Y HA 0.355 4.905 4.550 -0.000 0.000 0.331 372 Y C -2.534 173.630 175.900 0.439 0.000 0.950 372 Y CA -3.570 54.760 58.100 0.384 0.000 1.120 372 Y CB 0.125 38.730 38.460 0.242 0.000 1.154 372 Y HN -0.095 nan 8.280 nan 0.000 0.630 373 P HA 0.085 nan 4.420 nan 0.000 0.272 373 P C -0.438 177.073 177.300 0.353 0.000 1.223 373 P CA 0.187 63.417 63.100 0.216 0.000 0.784 373 P CB 1.633 33.222 31.700 -0.185 0.000 0.923 374 D N 0.165 120.665 120.400 0.166 0.000 2.433 374 D HA 0.114 4.754 4.640 -0.000 0.000 0.236 374 D C 0.695 177.074 176.300 0.133 0.000 1.026 374 D CA -0.826 53.170 54.000 -0.006 0.000 0.884 374 D CB 1.783 42.257 40.800 -0.543 0.000 1.384 374 D HN -0.009 nan 8.370 nan 0.000 0.477 375 V N 1.150 121.140 119.914 0.126 0.000 2.515 375 V HA -0.194 3.925 4.120 -0.000 0.000 0.250 375 V C 1.880 177.997 176.094 0.038 0.000 1.058 375 V CA 1.682 64.075 62.300 0.155 0.000 1.064 375 V CB -0.633 31.230 31.823 0.066 0.000 0.675 375 V HN 0.628 nan 8.190 nan 0.000 0.461 376 D N 0.268 120.639 120.400 -0.049 0.000 2.084 376 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 376 D C 2.021 178.418 176.300 0.161 0.000 0.990 376 D CA 1.394 55.384 54.000 -0.017 0.000 0.826 376 D CB -0.206 40.408 40.800 -0.311 0.000 0.971 376 D HN 0.371 nan 8.370 nan 0.000 0.453 377 D N -0.688 119.791 120.400 0.131 0.000 2.117 377 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 377 D C 1.904 178.314 176.300 0.183 0.000 0.987 377 D CA 1.239 55.407 54.000 0.280 0.000 0.829 377 D CB -0.151 40.804 40.800 0.260 0.000 0.961 377 D HN 0.248 nan 8.370 nan 0.000 0.460 378 T N 1.146 115.833 114.554 0.221 0.000 2.708 378 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 378 T C 2.094 176.896 174.700 0.170 0.000 1.037 378 T CA 1.446 63.725 62.100 0.298 0.000 1.146 378 T CB -0.261 68.836 68.868 0.381 0.000 0.865 378 T HN 0.176 nan 8.240 nan 0.000 0.435 379 A N 1.034 123.914 122.820 0.101 0.000 1.865 379 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 379 A C 2.613 180.290 177.584 0.155 0.000 1.191 379 A CA 1.591 53.648 52.037 0.032 0.000 0.623 379 A CB -1.147 17.802 19.000 -0.085 0.000 0.826 379 A HN 0.344 nan 8.150 nan 0.000 0.444 380 V N -0.537 119.470 119.914 0.156 0.000 2.427 380 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 380 V C 2.553 178.643 176.094 -0.007 0.000 1.051 380 V CA 1.844 64.206 62.300 0.104 0.000 1.048 380 V CB -0.390 31.396 31.823 -0.061 0.000 0.666 380 V HN 0.375 nan 8.190 nan 0.000 0.456 381 V N -0.676 119.179 119.914 -0.098 0.000 2.379 381 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 381 V C 2.364 178.377 176.094 -0.134 0.000 1.044 381 V CA 1.585 63.706 62.300 -0.299 0.000 1.036 381 V CB -0.051 31.226 31.823 -0.910 0.000 0.664 381 V HN 0.387 nan 8.190 nan 0.000 0.453 382 V N -0.998 118.943 119.914 0.046 0.000 2.261 382 V HA -0.258 3.861 4.120 -0.000 0.000 0.246 382 V C 2.113 178.439 176.094 0.387 0.000 1.047 382 V CA 2.207 64.680 62.300 0.289 0.000 1.015 382 V CB -0.748 31.329 31.823 0.424 0.000 0.642 382 V HN 0.777 nan 8.190 nan 0.000 0.446 383 W N 1.340 122.714 121.300 0.124 0.000 2.302 383 W HA -0.338 4.322 4.660 -0.000 0.000 0.320 383 W C 2.554 179.030 176.519 -0.071 0.000 1.241 383 W CA 2.591 59.939 57.345 0.004 0.000 1.264 383 W CB -1.053 28.390 29.460 -0.028 0.000 1.154 383 W HN 0.252 nan 8.180 nan 0.000 0.483 384 A N -0.020 122.788 122.820 -0.019 0.000 1.902 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 384 A C 2.319 179.865 177.584 -0.064 0.000 1.181 384 A CA 1.937 53.855 52.037 -0.198 0.000 0.623 384 A CB -1.092 17.772 19.000 -0.227 0.000 0.818 384 A HN 0.367 nan 8.150 nan 0.000 0.443 385 L N -0.472 120.762 121.223 0.017 0.000 2.201 385 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 385 L C 2.350 179.261 176.870 0.068 0.000 1.105 385 L CA 1.059 55.934 54.840 0.059 0.000 0.775 385 L CB -0.500 41.623 42.059 0.106 0.000 0.913 385 L HN 0.383 nan 8.230 nan 0.000 0.440 386 N N -0.013 118.724 118.700 0.062 0.000 2.289 386 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 386 N C 1.741 177.229 175.510 -0.037 0.000 1.016 386 N CA 1.666 54.688 53.050 -0.047 0.000 0.872 386 N CB -0.030 38.236 38.487 -0.369 0.000 0.973 386 N HN 0.376 nan 8.380 nan 0.000 0.433 387 T N -2.553 111.990 114.554 -0.018 0.000 3.148 387 T HA 0.153 4.503 4.350 -0.000 0.000 0.253 387 T C 0.490 175.180 174.700 -0.015 0.000 1.134 387 T CA -0.065 62.019 62.100 -0.028 0.000 1.051 387 T CB 0.080 68.903 68.868 -0.074 0.000 0.959 387 T HN -0.132 nan 8.240 nan 0.000 0.525 388 L N 0.804 122.029 121.223 0.004 0.000 2.303 388 L HA 0.618 4.958 4.340 -0.000 0.000 0.266 388 L C 0.025 176.914 176.870 0.032 0.000 1.011 388 L CA -1.256 53.598 54.840 0.023 0.000 0.818 388 L CB 1.938 44.018 42.059 0.035 0.000 1.326 388 L HN 0.086 nan 8.230 nan 0.000 0.435 389 R N 2.022 122.544 120.500 0.037 0.000 2.472 389 R HA 0.587 4.926 4.340 -0.000 0.000 0.294 389 R C -1.805 174.518 176.300 0.039 0.000 1.243 389 R CA -0.373 55.749 56.100 0.035 0.000 1.023 389 R CB 0.493 30.810 30.300 0.029 0.000 1.157 389 R HN 0.574 nan 8.270 nan 0.000 0.530 390 L N 5.423 126.673 121.223 0.044 0.000 2.331 390 L HA 0.514 4.854 4.340 -0.000 0.000 0.275 390 L C -1.218 175.674 176.870 0.037 0.000 1.022 390 L CA -2.230 52.638 54.840 0.046 0.000 0.812 390 L CB 1.802 43.896 42.059 0.058 0.000 1.257 390 L HN 0.419 nan 8.230 nan 0.000 0.435 391 P HA -0.108 nan 4.420 nan 0.000 0.222 391 P C -0.131 177.185 177.300 0.027 0.000 1.147 391 P CA 0.859 63.974 63.100 0.025 0.000 0.790 391 P CB 0.145 31.858 31.700 0.021 0.000 0.780 392 D N 0.758 121.178 120.400 0.033 0.000 2.713 392 D HA 0.055 4.694 4.640 -0.000 0.000 0.229 392 D C 1.280 177.602 176.300 0.038 0.000 1.136 392 D CA -0.055 53.965 54.000 0.033 0.000 1.010 392 D CB -0.144 40.678 40.800 0.036 0.000 1.084 392 D HN 0.229 nan 8.370 nan 0.000 0.495 393 E N 0.760 120.979 120.200 0.033 0.000 2.113 393 E HA -0.322 4.028 4.350 -0.000 0.000 0.210 393 E C 1.908 178.531 176.600 0.038 0.000 1.040 393 E CA 1.339 57.760 56.400 0.034 0.000 0.847 393 E CB 0.198 29.914 29.700 0.026 0.000 0.755 393 E HN 0.376 nan 8.360 nan 0.000 0.459 394 R N 1.215 121.734 120.500 0.032 0.000 2.064 394 R HA -0.134 4.206 4.340 -0.000 0.000 0.228 394 R C 2.437 178.760 176.300 0.039 0.000 1.144 394 R CA 1.845 57.963 56.100 0.031 0.000 0.932 394 R CB -0.439 29.875 30.300 0.022 0.000 0.833 394 R HN 0.088 nan 8.270 nan 0.000 0.429 395 R N 0.232 120.754 120.500 0.038 0.000 2.341 395 R HA -0.058 4.282 4.340 -0.000 0.000 0.213 395 R C 2.137 178.475 176.300 0.064 0.000 1.082 395 R CA 1.089 57.215 56.100 0.043 0.000 1.017 395 R CB -0.395 29.924 30.300 0.032 0.000 0.860 395 R HN 0.273 nan 8.270 nan 0.000 0.473 396 R N 1.731 122.273 120.500 0.070 0.000 2.062 396 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 396 R C 2.521 178.888 176.300 0.111 0.000 1.128 396 R CA 1.621 57.778 56.100 0.094 0.000 0.960 396 R CB -0.152 30.199 30.300 0.085 0.000 0.855 396 R HN 0.402 nan 8.270 nan 0.000 0.432 397 R N 0.314 120.868 120.500 0.090 0.000 2.073 397 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 397 R C 1.270 177.619 176.300 0.081 0.000 1.134 397 R CA 2.065 58.218 56.100 0.089 0.000 0.952 397 R CB -0.566 29.769 30.300 0.058 0.000 0.850 397 R HN 0.091 nan 8.270 nan 0.000 0.433 398 D N 1.006 121.445 120.400 0.065 0.000 2.123 398 D HA -0.133 4.506 4.640 -0.000 0.000 0.196 398 D C 1.936 178.284 176.300 0.080 0.000 0.992 398 D CA 1.889 55.923 54.000 0.056 0.000 0.833 398 D CB -0.278 40.547 40.800 0.041 0.000 0.954 398 D HN 0.491 nan 8.370 nan 0.000 0.455 399 A N 0.226 123.109 122.820 0.106 0.000 1.898 399 A HA -0.130 4.189 4.320 -0.000 0.000 0.216 399 A C 2.270 179.981 177.584 0.212 0.000 1.181 399 A CA 1.245 53.369 52.037 0.146 0.000 0.620 399 A CB -0.441 18.665 19.000 0.176 0.000 0.819 399 A HN 0.144 nan 8.150 nan 0.000 0.442 400 M N -1.000 118.738 119.600 0.230 0.000 2.077 400 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 400 M C 2.301 178.731 176.300 0.218 0.000 1.070 400 M CA 1.891 57.373 55.300 0.304 0.000 1.125 400 M CB -0.897 31.938 32.600 0.392 0.000 1.339 400 M HN 0.433 nan 8.290 nan 0.000 0.409 401 T N 0.935 115.550 114.554 0.102 0.000 2.594 401 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 401 T C 1.805 176.589 174.700 0.141 0.000 1.070 401 T CA 1.797 63.922 62.100 0.042 0.000 1.166 401 T CB -0.342 68.534 68.868 0.014 0.000 0.862 401 T HN 0.351 nan 8.240 nan 0.000 0.436 402 K N 0.100 120.582 120.400 0.135 0.000 2.057 402 K HA -0.042 4.277 4.320 -0.000 0.000 0.207 402 K C 2.649 179.367 176.600 0.196 0.000 1.049 402 K CA 1.233 57.599 56.287 0.133 0.000 0.931 402 K CB -0.524 32.014 32.500 0.063 0.000 0.714 402 K HN 0.425 nan 8.250 nan 0.000 0.440 403 G N 0.739 109.684 108.800 0.241 0.000 2.414 403 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 403 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 403 G C 1.339 176.464 174.900 0.374 0.000 1.188 403 G CA 0.390 45.681 45.100 0.317 0.000 0.783 403 G HN 0.226 nan 8.290 nan 0.000 0.537 404 F N 1.519 121.579 119.950 0.183 0.000 2.045 404 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 404 F C 2.991 178.907 175.800 0.194 0.000 1.114 404 F CA 2.322 60.407 58.000 0.142 0.000 1.207 404 F CB -0.055 38.878 39.000 -0.112 0.000 0.964 404 F HN -0.001 nan 8.300 nan 0.000 0.486 405 R N -1.432 119.310 120.500 0.403 0.000 2.092 405 R HA -0.217 4.122 4.340 -0.000 0.000 0.231 405 R C 2.019 178.457 176.300 0.230 0.000 1.119 405 R CA 1.677 57.949 56.100 0.287 0.000 0.970 405 R CB -0.880 29.556 30.300 0.227 0.000 0.864 405 R HN 0.563 nan 8.270 nan 0.000 0.440 406 W N 1.275 122.608 121.300 0.055 0.000 2.358 406 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 406 W C 1.552 178.067 176.519 -0.006 0.000 1.208 406 W CA 1.304 58.624 57.345 -0.041 0.000 1.274 406 W CB -0.160 29.222 29.460 -0.130 0.000 1.138 406 W HN -0.069 nan 8.180 nan 0.000 0.515 407 I N -0.349 120.337 120.570 0.194 0.000 2.179 407 I HA -0.339 3.830 4.170 -0.000 0.000 0.242 407 I C 2.265 178.528 176.117 0.244 0.000 1.088 407 I CA 1.416 62.749 61.300 0.055 0.000 1.357 407 I CB -1.254 36.718 38.000 -0.047 0.000 1.051 407 I HN -0.220 nan 8.210 nan 0.000 0.409 408 V N 1.284 121.343 119.914 0.240 0.000 2.278 408 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 408 V C 2.472 178.620 176.094 0.091 0.000 1.062 408 V CA 2.417 64.858 62.300 0.235 0.000 1.038 408 V CB -1.483 30.422 31.823 0.137 0.000 0.646 408 V HN 0.642 nan 8.190 nan 0.000 0.447 409 G N -1.826 106.955 108.800 -0.031 0.000 2.572 409 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 409 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 409 G C 1.310 176.061 174.900 -0.248 0.000 1.133 409 G CA 0.227 45.250 45.100 -0.128 0.000 0.791 409 G HN 0.355 nan 8.290 nan 0.000 0.538 410 M N 0.399 119.796 119.600 -0.339 0.000 2.561 410 M HA 0.201 4.681 4.480 -0.000 0.000 0.238 410 M C 1.058 177.135 176.300 -0.373 0.000 1.131 410 M CA -0.195 54.856 55.300 -0.416 0.000 1.046 410 M CB -0.432 31.726 32.600 -0.737 0.000 1.532 410 M HN 0.255 nan 8.290 nan 0.000 0.497 411 Q N 1.258 120.741 119.800 -0.528 0.000 2.283 411 Q HA 0.025 4.364 4.340 -0.000 0.000 0.301 411 Q C -0.390 175.202 176.000 -0.680 0.000 1.063 411 Q CA 0.314 55.432 55.803 -1.143 0.000 0.952 411 Q CB 0.753 28.870 28.738 -1.034 0.000 1.166 411 Q HN 0.195 nan 8.270 nan 0.000 0.381 412 S N 1.566 116.863 115.700 -0.672 0.000 2.652 412 S HA 0.100 4.570 4.470 -0.000 0.000 0.270 412 S C 1.089 175.467 174.600 -0.370 0.000 1.243 412 S CA -0.676 57.283 58.200 -0.401 0.000 0.999 412 S CB 1.531 64.543 63.200 -0.314 0.000 0.973 412 S HN 0.750 nan 8.310 nan 0.000 0.544 413 S N 2.099 117.655 115.700 -0.240 0.000 2.400 413 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 413 S C 1.665 176.159 174.600 -0.175 0.000 1.025 413 S CA 0.966 59.056 58.200 -0.184 0.000 0.993 413 S CB -0.450 62.679 63.200 -0.119 0.000 0.808 413 S HN 0.586 nan 8.310 nan 0.000 0.478 414 N N 0.944 119.534 118.700 -0.183 0.000 2.247 414 N HA -0.117 4.623 4.740 -0.000 0.000 0.189 414 N C 1.563 176.981 175.510 -0.154 0.000 1.009 414 N CA 1.418 54.384 53.050 -0.140 0.000 0.872 414 N CB -0.570 37.802 38.487 -0.191 0.000 0.980 414 N HN 0.628 nan 8.380 nan 0.000 0.436 415 G N -2.069 106.547 108.800 -0.306 0.000 2.313 415 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 415 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 415 G C 0.508 175.079 174.900 -0.549 0.000 1.023 415 G CA 0.337 45.237 45.100 -0.333 0.000 0.626 415 G HN 0.723 nan 8.290 nan 0.000 0.503 416 G N -1.222 107.082 108.800 -0.827 0.000 2.543 416 G HA2 0.484 4.444 3.960 -0.000 0.000 0.290 416 G HA3 0.484 4.444 3.960 -0.000 0.000 0.290 416 G C -0.405 174.129 174.900 -0.611 0.000 1.310 416 G CA -0.420 44.161 45.100 -0.864 0.000 1.025 416 G HN 0.295 nan 8.290 nan 0.000 0.502 417 W N -0.404 120.715 121.300 -0.302 0.000 2.656 417 W HA 0.503 5.162 4.660 -0.000 0.000 0.327 417 W C 0.431 176.910 176.519 -0.066 0.000 1.041 417 W CA -0.825 56.417 57.345 -0.172 0.000 1.229 417 W CB 1.980 31.354 29.460 -0.144 0.000 1.397 417 W HN 0.808 nan 8.180 nan 0.000 0.479 418 G N 0.648 109.549 108.800 0.167 0.000 2.563 418 G HA2 0.412 4.371 3.960 -0.000 0.000 0.283 418 G HA3 0.412 4.371 3.960 -0.000 0.000 0.283 418 G C 0.634 175.680 174.900 0.244 0.000 1.309 418 G CA 0.242 45.484 45.100 0.237 0.000 1.022 418 G HN 0.525 nan 8.290 nan 0.000 0.501 419 A N -1.453 121.528 122.820 0.269 0.000 1.874 419 A HA 0.200 4.520 4.320 -0.000 0.000 0.214 419 A C 1.837 179.352 177.584 -0.114 0.000 1.189 419 A CA 1.261 53.286 52.037 -0.020 0.000 0.615 419 A CB -0.280 18.605 19.000 -0.192 0.000 0.830 419 A HN 0.618 nan 8.150 nan 0.000 0.443 420 Y N -1.011 119.488 120.300 0.330 0.000 2.589 420 Y HA 0.280 4.830 4.550 -0.000 0.000 0.271 420 Y C 0.155 176.272 175.900 0.362 0.000 1.107 420 Y CA -0.477 57.854 58.100 0.384 0.000 1.273 420 Y CB 0.712 39.437 38.460 0.442 0.000 1.266 420 Y HN 0.130 nan 8.280 nan 0.000 0.504 421 D N -0.512 120.142 120.400 0.423 0.000 2.523 421 D HA 0.329 4.968 4.640 -0.000 0.000 0.236 421 D C -1.183 175.208 176.300 0.151 0.000 1.094 421 D CA -0.493 53.693 54.000 0.309 0.000 0.942 421 D CB 3.442 44.424 40.800 0.303 0.000 1.447 421 D HN -0.148 nan 8.370 nan 0.000 0.479 422 V N 0.726 120.693 119.914 0.087 0.000 2.567 422 V HA 0.219 4.339 4.120 -0.000 0.000 0.289 422 V C -0.240 175.860 176.094 0.010 0.000 1.049 422 V CA -0.009 62.283 62.300 -0.013 0.000 0.969 422 V CB 0.986 32.761 31.823 -0.081 0.000 0.995 422 V HN 0.612 nan 8.190 nan 0.000 0.471 423 D N 2.979 123.362 120.400 -0.028 0.000 2.911 423 D HA -0.203 4.436 4.640 -0.000 0.000 0.227 423 D C 0.444 176.754 176.300 0.017 0.000 1.164 423 D CA 1.333 55.321 54.000 -0.021 0.000 0.782 423 D CB -1.490 39.291 40.800 -0.031 0.000 1.094 423 D HN 0.828 nan 8.370 nan 0.000 0.425 424 N N 0.712 119.441 118.700 0.049 0.000 2.671 424 N HA 0.061 4.801 4.740 -0.000 0.000 0.274 424 N C 0.219 175.750 175.510 0.034 0.000 1.188 424 N CA 1.031 54.116 53.050 0.057 0.000 1.065 424 N CB 0.072 38.621 38.487 0.103 0.000 1.415 424 N HN 0.273 nan 8.380 nan 0.000 0.511 425 T N -1.862 112.695 114.554 0.005 0.000 3.541 425 T HA 0.074 4.423 4.350 -0.000 0.000 0.309 425 T C 0.248 174.931 174.700 -0.028 0.000 0.973 425 T CA -0.607 61.490 62.100 -0.004 0.000 0.993 425 T CB -0.099 68.769 68.868 0.000 0.000 1.206 425 T HN 0.115 nan 8.240 nan 0.000 0.489 426 S N 0.486 116.154 115.700 -0.053 0.000 2.564 426 S HA 0.227 4.697 4.470 -0.000 0.000 0.278 426 S C 0.772 175.317 174.600 -0.092 0.000 1.333 426 S CA -0.190 57.967 58.200 -0.071 0.000 1.048 426 S CB 0.720 63.858 63.200 -0.103 0.000 0.900 426 S HN 0.307 nan 8.310 nan 0.000 0.505 427 D N 2.743 123.109 120.400 -0.057 0.000 2.333 427 D HA 0.065 4.705 4.640 -0.000 0.000 0.208 427 D C 1.597 177.864 176.300 -0.055 0.000 0.984 427 D CA 0.265 54.236 54.000 -0.048 0.000 0.873 427 D CB 0.023 40.843 40.800 0.034 0.000 0.935 427 D HN 0.449 nan 8.370 nan 0.000 0.521 428 L N 1.035 122.219 121.223 -0.065 0.000 2.017 428 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 428 L C -0.788 175.910 176.870 -0.287 0.000 1.073 428 L CA 1.748 56.544 54.840 -0.072 0.000 0.745 428 L CB -1.379 40.659 42.059 -0.035 0.000 0.894 428 L HN 0.039 nan 8.230 nan 0.000 0.432 429 P HA -0.146 nan 4.420 nan 0.000 0.217 429 P C 0.386 177.458 177.300 -0.380 0.000 1.148 429 P CA 1.357 64.132 63.100 -0.542 0.000 0.828 429 P CB -0.279 30.897 31.700 -0.874 0.000 0.783 430 N N -1.352 117.102 118.700 -0.409 0.000 2.471 430 N HA -0.068 4.672 4.740 -0.000 0.000 0.205 430 N C 0.577 175.719 175.510 -0.613 0.000 1.251 430 N CA 0.559 53.347 53.050 -0.437 0.000 0.843 430 N CB -0.477 37.762 38.487 -0.415 0.000 1.044 430 N HN 0.420 nan 8.380 nan 0.000 0.461 431 H N -0.082 118.762 119.070 -0.377 0.000 3.241 431 H HA 0.262 4.817 4.556 -0.000 0.000 0.260 431 H C 0.615 175.604 175.328 -0.565 0.000 1.084 431 H CA -0.506 55.267 56.048 -0.459 0.000 1.203 431 H CB 1.501 30.923 29.762 -0.566 0.000 1.524 431 H HN 0.198 nan 8.280 nan 0.000 0.521 432 I N 4.569 124.868 120.570 -0.453 0.000 2.634 432 I HA 0.022 4.191 4.170 -0.000 0.000 0.284 432 I C -1.109 175.010 176.117 0.004 0.000 1.124 432 I CA -1.829 59.369 61.300 -0.170 0.000 1.417 432 I CB 1.483 39.465 38.000 -0.032 0.000 1.396 432 I HN -0.115 nan 8.210 nan 0.000 0.571 433 P HA -0.253 nan 4.420 nan 0.000 0.216 433 P C 1.494 178.836 177.300 0.070 0.000 1.150 433 P CA 1.533 64.687 63.100 0.090 0.000 0.843 433 P CB -0.151 31.630 31.700 0.136 0.000 0.787 434 F N 1.111 121.046 119.950 -0.024 0.000 2.120 434 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 434 F C 1.115 176.839 175.800 -0.127 0.000 1.095 434 F CA 1.219 59.169 58.000 -0.084 0.000 1.249 434 F CB -0.685 38.266 39.000 -0.081 0.000 0.995 434 F HN -0.131 nan 8.300 nan 0.000 0.480 435 C N 2.740 121.994 119.300 -0.077 0.000 3.057 435 C HA 0.157 4.616 4.460 -0.000 0.000 0.563 435 C C 0.990 175.890 174.990 -0.149 0.000 1.129 435 C CA -0.038 58.900 59.018 -0.134 0.000 1.284 435 C CB -2.187 25.566 27.740 0.022 0.000 1.532 435 C HN 0.514 nan 8.230 nan 0.000 0.631 436 D N -0.687 119.597 120.400 -0.192 0.000 2.363 436 D HA 0.074 4.714 4.640 -0.000 0.000 0.214 436 D C -0.086 176.226 176.300 0.020 0.000 1.093 436 D CA -0.155 53.795 54.000 -0.083 0.000 0.837 436 D CB 0.008 40.766 40.800 -0.070 0.000 0.948 436 D HN 0.404 nan 8.370 nan 0.000 0.507 437 F N 0.765 120.604 119.950 -0.185 0.000 2.557 437 F HA 0.517 5.044 4.527 -0.000 0.000 0.316 437 F C 0.498 176.191 175.800 -0.180 0.000 1.141 437 F CA 0.526 58.471 58.000 -0.092 0.000 0.922 437 F CB 1.585 40.588 39.000 0.005 0.000 1.194 437 F HN 0.213 nan 8.300 nan 0.000 0.443 438 G N 4.249 112.594 108.800 -0.759 0.000 2.741 438 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.222 438 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.222 438 G C -1.067 173.412 174.900 -0.701 0.000 1.364 438 G CA -0.740 43.708 45.100 -1.087 0.000 0.866 438 G HN 0.723 nan 8.290 nan 0.000 0.555 439 E N -0.218 119.506 120.200 -0.792 0.000 2.343 439 E HA 0.395 4.745 4.350 -0.000 0.000 0.269 439 E C 1.403 178.064 176.600 0.102 0.000 1.047 439 E CA 0.265 56.568 56.400 -0.161 0.000 0.874 439 E CB 1.586 31.375 29.700 0.148 0.000 1.033 439 E HN 1.336 nan 8.360 nan 0.000 0.409 440 V N -1.452 118.532 119.914 0.116 0.000 3.432 440 V HA 0.177 4.297 4.120 -0.000 0.000 0.298 440 V C 0.536 176.609 176.094 -0.035 0.000 1.464 440 V CA 0.124 62.496 62.300 0.121 0.000 1.046 440 V CB 0.310 32.199 31.823 0.111 0.000 0.887 440 V HN 0.588 nan 8.190 nan 0.000 0.441 441 T N -2.058 112.499 114.554 0.006 0.000 2.926 441 T HA 0.682 5.032 4.350 -0.000 0.000 0.289 441 T C -0.870 173.918 174.700 0.146 0.000 1.054 441 T CA 0.033 62.113 62.100 -0.033 0.000 1.015 441 T CB 2.406 71.247 68.868 -0.044 0.000 1.167 441 T HN 0.158 nan 8.240 nan 0.000 0.526 442 D N 1.727 122.214 120.400 0.145 0.000 2.739 442 D HA 0.349 4.989 4.640 -0.000 0.000 0.335 442 D C -2.460 174.003 176.300 0.271 0.000 1.216 442 D CA -1.948 52.270 54.000 0.364 0.000 0.808 442 D CB 0.509 41.532 40.800 0.371 0.000 1.121 442 D HN 0.272 nan 8.370 nan 0.000 0.499 443 P HA 0.259 nan 4.420 nan 0.000 0.272 443 P C -2.546 174.854 177.300 0.166 0.000 1.240 443 P CA -1.308 61.876 63.100 0.140 0.000 0.791 443 P CB -0.157 31.604 31.700 0.102 0.000 0.978 444 P HA -0.005 nan 4.420 nan 0.000 0.264 444 P C 0.023 177.454 177.300 0.217 0.000 1.179 444 P CA 0.747 63.879 63.100 0.053 0.000 0.763 444 P CB 0.081 31.634 31.700 -0.245 0.000 0.806 445 S N 0.793 116.668 115.700 0.292 0.000 2.638 445 S HA 0.411 4.880 4.470 -0.000 0.000 0.302 445 S C 0.769 175.624 174.600 0.425 0.000 1.096 445 S CA -0.609 57.818 58.200 0.377 0.000 0.953 445 S CB 1.739 65.158 63.200 0.364 0.000 1.107 445 S HN 0.209 nan 8.310 nan 0.000 0.503 446 E N 1.153 121.572 120.200 0.365 0.000 2.072 446 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 446 E C 1.464 178.105 176.600 0.069 0.000 0.985 446 E CA 1.708 58.250 56.400 0.237 0.000 0.801 446 E CB -0.228 29.581 29.700 0.182 0.000 0.750 446 E HN 0.837 nan 8.360 nan 0.000 0.452 447 D N 0.437 120.880 120.400 0.072 0.000 2.117 447 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 447 D C 2.071 178.290 176.300 -0.135 0.000 0.982 447 D CA 1.479 55.410 54.000 -0.115 0.000 0.828 447 D CB -0.799 40.056 40.800 0.093 0.000 0.967 447 D HN 0.273 nan 8.370 nan 0.000 0.464 448 V N -0.166 119.830 119.914 0.137 0.000 2.453 448 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 448 V C 2.076 178.176 176.094 0.010 0.000 1.048 448 V CA 2.163 64.550 62.300 0.145 0.000 1.049 448 V CB -1.015 30.909 31.823 0.168 0.000 0.672 448 V HN 0.162 nan 8.190 nan 0.000 0.457 449 T N 1.489 116.098 114.554 0.092 0.000 2.699 449 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 449 T C 2.169 176.802 174.700 -0.111 0.000 1.036 449 T CA 2.254 64.420 62.100 0.110 0.000 1.147 449 T CB -0.759 68.297 68.868 0.313 0.000 0.862 449 T HN 0.822 nan 8.240 nan 0.000 0.446 450 A N 0.981 123.688 122.820 -0.189 0.000 1.902 450 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 450 A C 1.943 179.334 177.584 -0.322 0.000 1.181 450 A CA 1.843 53.688 52.037 -0.321 0.000 0.623 450 A CB -0.905 17.814 19.000 -0.469 0.000 0.818 450 A HN 0.707 nan 8.150 nan 0.000 0.443 451 H N -1.233 117.715 119.070 -0.203 0.000 2.395 451 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 451 H C 2.235 177.343 175.328 -0.367 0.000 1.070 451 H CA 1.325 57.264 56.048 -0.181 0.000 1.356 451 H CB 0.051 29.810 29.762 -0.006 0.000 1.401 451 H HN 0.422 nan 8.280 nan 0.000 0.524 452 V N 0.193 119.829 119.914 -0.464 0.000 2.427 452 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 452 V C 1.917 177.397 176.094 -1.023 0.000 1.051 452 V CA 1.329 63.043 62.300 -0.978 0.000 1.048 452 V CB -0.580 30.246 31.823 -1.661 0.000 0.666 452 V HN 0.368 nan 8.190 nan 0.000 0.456 453 L N 0.045 120.891 121.223 -0.627 0.000 2.042 453 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 453 L C 2.869 179.553 176.870 -0.310 0.000 1.076 453 L CA 2.459 57.099 54.840 -0.333 0.000 0.749 453 L CB -0.679 41.267 42.059 -0.187 0.000 0.893 453 L HN 0.403 nan 8.230 nan 0.000 0.432 454 E N -0.840 119.103 120.200 -0.428 0.000 2.051 454 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 454 E C 2.315 178.337 176.600 -0.964 0.000 0.991 454 E CA 1.635 57.630 56.400 -0.674 0.000 0.799 454 E CB -0.268 28.965 29.700 -0.778 0.000 0.748 454 E HN 0.565 nan 8.360 nan 0.000 0.449 455 C N 0.418 119.253 119.300 -0.775 0.000 2.388 455 C HA -0.212 4.248 4.460 -0.000 0.000 0.277 455 C C 2.406 177.430 174.990 0.055 0.000 1.210 455 C CA 0.986 59.741 59.018 -0.438 0.000 1.743 455 C CB -1.326 26.274 27.740 -0.233 0.000 2.047 455 C HN 0.469 nan 8.230 nan 0.000 0.458 456 F N 0.870 120.843 119.950 0.038 0.000 2.202 456 F HA -0.037 4.490 4.527 -0.000 0.000 0.301 456 F C 2.614 178.655 175.800 0.401 0.000 1.082 456 F CA 0.808 58.999 58.000 0.318 0.000 1.313 456 F CB -0.692 38.400 39.000 0.154 0.000 1.024 456 F HN 0.486 nan 8.300 nan 0.000 0.495 457 G N -0.446 108.515 108.800 0.269 0.000 2.443 457 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.219 457 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.219 457 G C 1.686 176.633 174.900 0.078 0.000 1.131 457 G CA 0.911 46.100 45.100 0.148 0.000 0.775 457 G HN 0.435 nan 8.290 nan 0.000 0.547 458 S N 0.289 115.963 115.700 -0.043 0.000 2.423 458 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 458 S C 1.798 176.328 174.600 -0.116 0.000 1.014 458 S CA 0.594 58.720 58.200 -0.123 0.000 0.965 458 S CB -0.511 62.519 63.200 -0.282 0.000 0.785 458 S HN 0.208 nan 8.310 nan 0.000 0.495 459 F N 2.127 122.196 119.950 0.198 0.000 2.804 459 F HA 0.389 4.915 4.527 -0.000 0.000 0.303 459 F C 1.990 177.764 175.800 -0.043 0.000 1.154 459 F CA 0.198 58.301 58.000 0.172 0.000 1.401 459 F CB -0.290 38.971 39.000 0.434 0.000 1.106 459 F HN 0.425 nan 8.300 nan 0.000 0.568 460 G N -0.975 107.891 108.800 0.111 0.000 2.159 460 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.256 460 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.256 460 G C 0.022 174.882 174.900 -0.067 0.000 0.977 460 G CA -0.463 44.616 45.100 -0.035 0.000 0.652 460 G HN 0.310 nan 8.290 nan 0.000 0.531 461 Y N 1.779 122.210 120.300 0.217 0.000 2.301 461 Y HA 0.512 5.062 4.550 -0.000 0.000 0.328 461 Y C 0.929 176.970 175.900 0.234 0.000 1.242 461 Y CA 0.224 58.465 58.100 0.235 0.000 1.323 461 Y CB 0.998 39.676 38.460 0.363 0.000 1.266 461 Y HN 0.437 nan 8.280 nan 0.000 0.527 462 D N -1.067 119.571 120.400 0.398 0.000 2.958 462 D HA 0.103 4.743 4.640 -0.000 0.000 0.306 462 D C 0.120 176.576 176.300 0.259 0.000 1.226 462 D CA -0.478 53.681 54.000 0.265 0.000 1.032 462 D CB 0.191 41.088 40.800 0.162 0.000 1.400 462 D HN 0.373 nan 8.370 nan 0.000 0.587 463 D N -0.889 119.615 120.400 0.173 0.000 2.263 463 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 463 D C 1.875 178.262 176.300 0.147 0.000 0.971 463 D CA 1.578 55.661 54.000 0.139 0.000 0.867 463 D CB -0.245 40.617 40.800 0.103 0.000 0.929 463 D HN 0.454 nan 8.370 nan 0.000 0.492 464 A N 0.082 123.005 122.820 0.171 0.000 1.883 464 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 464 A C 0.987 178.715 177.584 0.240 0.000 1.186 464 A CA 0.676 52.815 52.037 0.169 0.000 0.624 464 A CB -0.903 18.187 19.000 0.150 0.000 0.822 464 A HN 0.436 nan 8.150 nan 0.000 0.444 465 W N 1.239 122.584 121.300 0.076 0.000 2.308 465 W HA 0.372 5.031 4.660 -0.000 0.000 0.324 465 W C 0.762 177.294 176.519 0.022 0.000 1.387 465 W CA -0.750 56.623 57.345 0.047 0.000 1.250 465 W CB 0.623 30.112 29.460 0.048 0.000 1.257 465 W HN 0.099 nan 8.180 nan 0.000 0.554 466 K N 2.895 123.322 120.400 0.045 0.000 2.211 466 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 466 K C 1.853 178.238 176.600 -0.358 0.000 1.050 466 K CA 1.170 57.386 56.287 -0.119 0.000 0.945 466 K CB -0.333 32.147 32.500 -0.032 0.000 0.732 466 K HN 0.445 nan 8.250 nan 0.000 0.451 467 V N 0.816 120.221 119.914 -0.849 0.000 2.343 467 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 467 V C 1.969 177.776 176.094 -0.479 0.000 1.051 467 V CA 1.733 63.531 62.300 -0.836 0.000 1.036 467 V CB -0.360 30.543 31.823 -1.535 0.000 0.654 467 V HN 0.268 nan 8.190 nan 0.000 0.451 468 I N -0.788 119.490 120.570 -0.487 0.000 2.439 468 I HA -0.167 4.002 4.170 -0.000 0.000 0.251 468 I C 2.688 178.789 176.117 -0.026 0.000 1.139 468 I CA 1.133 62.373 61.300 -0.099 0.000 1.438 468 I CB -0.397 37.622 38.000 0.032 0.000 1.085 468 I HN 0.197 nan 8.210 nan 0.000 0.427 469 R N 1.345 121.808 120.500 -0.063 0.000 2.070 469 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 469 R C 2.449 178.739 176.300 -0.016 0.000 1.138 469 R CA 1.618 57.708 56.100 -0.016 0.000 0.936 469 R CB -0.115 30.174 30.300 -0.018 0.000 0.839 469 R HN 0.258 nan 8.270 nan 0.000 0.429 470 R N -0.263 120.201 120.500 -0.060 0.000 2.193 470 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 470 R C 2.163 178.458 176.300 -0.008 0.000 1.110 470 R CA 1.032 57.098 56.100 -0.057 0.000 0.988 470 R CB -0.196 30.027 30.300 -0.128 0.000 0.871 470 R HN 0.275 nan 8.270 nan 0.000 0.458 471 A N 0.691 123.524 122.820 0.022 0.000 1.897 471 A HA -0.063 4.256 4.320 -0.000 0.000 0.215 471 A C 2.305 179.994 177.584 0.175 0.000 1.181 471 A CA 0.989 53.116 52.037 0.151 0.000 0.620 471 A CB -0.290 18.883 19.000 0.289 0.000 0.821 471 A HN 0.095 nan 8.150 nan 0.000 0.443 472 V N 0.053 120.029 119.914 0.104 0.000 2.427 472 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 472 V C 2.601 178.741 176.094 0.077 0.000 1.051 472 V CA 1.978 64.331 62.300 0.088 0.000 1.048 472 V CB -0.576 31.294 31.823 0.079 0.000 0.666 472 V HN 0.477 nan 8.190 nan 0.000 0.456 473 E N -0.413 119.826 120.200 0.064 0.000 2.047 473 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 473 E C 2.072 178.711 176.600 0.065 0.000 0.987 473 E CA 1.534 57.953 56.400 0.032 0.000 0.799 473 E CB -0.460 29.250 29.700 0.017 0.000 0.752 473 E HN 0.727 nan 8.360 nan 0.000 0.449 474 Y N 1.658 121.958 120.300 -0.001 0.000 2.069 474 Y HA -0.274 4.275 4.550 -0.000 0.000 0.278 474 Y C 2.190 178.135 175.900 0.074 0.000 1.175 474 Y CA 1.854 59.964 58.100 0.016 0.000 1.134 474 Y CB -0.660 37.799 38.460 -0.001 0.000 0.965 474 Y HN -0.028 nan 8.280 nan 0.000 0.498 475 L N 0.269 121.412 121.223 -0.134 0.000 2.017 475 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 475 L C 2.711 179.689 176.870 0.180 0.000 1.073 475 L CA 1.823 56.595 54.840 -0.113 0.000 0.745 475 L CB -0.648 41.379 42.059 -0.053 0.000 0.894 475 L HN 0.162 nan 8.230 nan 0.000 0.432 476 K N 0.018 120.492 120.400 0.124 0.000 2.152 476 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 476 K C 2.201 178.777 176.600 -0.040 0.000 1.048 476 K CA 1.312 57.629 56.287 0.051 0.000 0.933 476 K CB -0.023 32.384 32.500 -0.154 0.000 0.721 476 K HN 0.360 nan 8.250 nan 0.000 0.447 477 R N 0.086 120.543 120.500 -0.072 0.000 2.153 477 R HA -0.033 4.307 4.340 -0.000 0.000 0.218 477 R C 1.428 177.659 176.300 -0.115 0.000 1.072 477 R CA 0.656 56.703 56.100 -0.090 0.000 0.990 477 R CB 0.074 30.336 30.300 -0.064 0.000 0.889 477 R HN 0.143 nan 8.270 nan 0.000 0.452 478 E N 0.958 121.069 120.200 -0.147 0.000 2.474 478 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 478 E C 0.261 176.776 176.600 -0.141 0.000 1.039 478 E CA -0.043 56.274 56.400 -0.138 0.000 0.881 478 E CB 0.371 29.937 29.700 -0.224 0.000 0.970 478 E HN 0.299 nan 8.360 nan 0.000 0.486 479 Q N 1.671 121.338 119.800 -0.222 0.000 2.315 479 Q HA -0.037 4.303 4.340 -0.000 0.000 0.289 479 Q C -0.124 175.602 176.000 -0.457 0.000 1.044 479 Q CA 0.333 55.706 55.803 -0.717 0.000 0.920 479 Q CB 0.629 28.889 28.738 -0.797 0.000 1.214 479 Q HN -0.244 nan 8.270 nan 0.000 0.392 480 K N 3.993 124.097 120.400 -0.493 0.000 2.107 480 K HA 0.159 4.478 4.320 -0.000 0.000 0.251 480 K C -1.798 174.635 176.600 -0.278 0.000 1.012 480 K CA -1.814 54.294 56.287 -0.299 0.000 0.920 480 K CB 0.284 32.626 32.500 -0.264 0.000 1.033 480 K HN 0.470 nan 8.250 nan 0.000 0.478 481 P HA -0.137 nan 4.420 nan 0.000 0.218 481 P C 0.461 177.691 177.300 -0.117 0.000 1.149 481 P CA 1.164 64.185 63.100 -0.130 0.000 0.817 481 P CB 0.161 31.811 31.700 -0.084 0.000 0.785 482 D N -1.490 118.836 120.400 -0.124 0.000 2.347 482 D HA 0.029 4.669 4.640 -0.000 0.000 0.215 482 D C 1.468 177.725 176.300 -0.071 0.000 0.976 482 D CA 1.119 55.097 54.000 -0.037 0.000 0.884 482 D CB -0.844 39.993 40.800 0.062 0.000 0.915 482 D HN 0.274 nan 8.370 nan 0.000 0.526 483 G N -0.339 108.288 108.800 -0.289 0.000 2.192 483 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.193 483 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.193 483 G C 0.299 174.776 174.900 -0.705 0.000 0.999 483 G CA 0.190 45.058 45.100 -0.387 0.000 0.659 483 G HN 0.730 nan 8.290 nan 0.000 0.503 484 S N -0.587 114.561 115.700 -0.921 0.000 2.707 484 S HA 0.805 5.274 4.470 -0.000 0.000 0.276 484 S C -0.271 173.917 174.600 -0.687 0.000 1.179 484 S CA -0.726 56.840 58.200 -1.056 0.000 0.992 484 S CB 1.730 63.963 63.200 -1.613 0.000 1.030 484 S HN 0.422 nan 8.310 nan 0.000 0.554 485 W N 0.457 121.602 121.300 -0.258 0.000 2.702 485 W HA 0.432 5.092 4.660 -0.000 0.000 0.331 485 W C -0.584 175.940 176.519 0.008 0.000 1.049 485 W CA -1.437 55.861 57.345 -0.078 0.000 1.230 485 W CB 1.575 30.965 29.460 -0.118 0.000 1.408 485 W HN 0.699 nan 8.180 nan 0.000 0.492 486 F N 1.647 121.653 119.950 0.093 0.000 2.545 486 F HA 0.386 4.913 4.527 -0.000 0.000 0.348 486 F C 0.850 176.610 175.800 -0.066 0.000 1.163 486 F CA 0.709 58.614 58.000 -0.158 0.000 1.331 486 F CB 0.696 39.647 39.000 -0.082 0.000 1.138 486 F HN 0.249 nan 8.300 nan 0.000 0.602 487 G N 4.770 113.077 108.800 -0.822 0.000 2.522 487 G HA2 0.350 4.310 3.960 -0.000 0.000 0.318 487 G HA3 0.350 4.310 3.960 -0.000 0.000 0.318 487 G C 0.267 174.866 174.900 -0.500 0.000 1.192 487 G CA -0.607 44.265 45.100 -0.379 0.000 0.988 487 G HN 0.733 nan 8.290 nan 0.000 0.480 488 R N 2.272 122.700 120.500 -0.122 0.000 2.073 488 R HA 0.044 4.384 4.340 -0.000 0.000 0.229 488 R C 0.837 176.874 176.300 -0.439 0.000 1.120 488 R CA 1.324 57.305 56.100 -0.199 0.000 0.967 488 R CB -0.156 30.046 30.300 -0.163 0.000 0.862 488 R HN 0.650 nan 8.270 nan 0.000 0.436 489 W N -0.941 120.312 121.300 -0.078 0.000 2.862 489 W HA 0.533 5.193 4.660 -0.000 0.000 0.376 489 W C 0.069 176.334 176.519 -0.423 0.000 1.028 489 W CA -0.035 57.200 57.345 -0.184 0.000 1.757 489 W CB 0.994 30.380 29.460 -0.124 0.000 1.128 489 W HN 0.181 nan 8.180 nan 0.000 0.566 490 G N 0.119 108.534 108.800 -0.643 0.000 2.733 490 G HA2 0.467 4.427 3.960 -0.000 0.000 0.297 490 G HA3 0.467 4.427 3.960 -0.000 0.000 0.297 490 G C -1.626 172.967 174.900 -0.511 0.000 1.422 490 G CA -0.716 43.686 45.100 -1.164 0.000 0.942 490 G HN -0.255 nan 8.290 nan 0.000 0.510 491 V N 2.248 122.156 119.914 -0.010 0.000 2.408 491 V HA 0.352 4.472 4.120 -0.000 0.000 0.267 491 V C 0.469 176.716 176.094 0.256 0.000 1.047 491 V CA -0.154 62.254 62.300 0.180 0.000 0.937 491 V CB 0.791 32.772 31.823 0.264 0.000 0.999 491 V HN 0.874 nan 8.190 nan 0.000 0.472 492 N N 3.707 122.466 118.700 0.098 0.000 3.085 492 N HA 0.069 4.809 4.740 -0.000 0.000 0.270 492 N C 1.207 176.555 175.510 -0.270 0.000 1.319 492 N CA 0.120 52.996 53.050 -0.289 0.000 1.379 492 N CB -0.155 37.892 38.487 -0.733 0.000 0.903 492 N HN 0.309 nan 8.380 nan 0.000 1.080 493 Y N 1.832 122.078 120.300 -0.089 0.000 2.224 493 Y HA 0.138 4.688 4.550 -0.000 0.000 0.289 493 Y C 2.280 178.156 175.900 -0.040 0.000 1.146 493 Y CA 1.057 59.091 58.100 -0.110 0.000 1.182 493 Y CB -0.107 38.277 38.460 -0.126 0.000 0.983 493 Y HN 0.139 nan 8.280 nan 0.000 0.524 494 L N -1.542 119.890 121.223 0.347 0.000 2.046 494 L HA -0.268 4.071 4.340 -0.000 0.000 0.208 494 L C 2.311 179.310 176.870 0.214 0.000 1.077 494 L CA 1.571 56.618 54.840 0.345 0.000 0.747 494 L CB -0.655 41.651 42.059 0.411 0.000 0.896 494 L HN 0.279 nan 8.230 nan 0.000 0.432 495 Y N 0.542 120.852 120.300 0.016 0.000 2.145 495 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 495 Y C 2.261 177.920 175.900 -0.401 0.000 1.145 495 Y CA 1.727 59.565 58.100 -0.436 0.000 1.148 495 Y CB -0.505 37.609 38.460 -0.576 0.000 0.981 495 Y HN 0.053 nan 8.280 nan 0.000 0.507 496 G N -1.690 107.009 108.800 -0.169 0.000 2.396 496 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.214 496 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.214 496 G C 1.634 176.449 174.900 -0.142 0.000 1.166 496 G CA 1.089 46.075 45.100 -0.190 0.000 0.793 496 G HN 0.392 nan 8.290 nan 0.000 0.533 497 T N 1.033 115.578 114.554 -0.016 0.000 2.788 497 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 497 T C 2.447 177.110 174.700 -0.060 0.000 1.044 497 T CA 1.475 63.626 62.100 0.085 0.000 1.139 497 T CB -0.433 68.420 68.868 -0.025 0.000 0.867 497 T HN 0.333 nan 8.240 nan 0.000 0.454 498 G N 1.178 109.893 108.800 -0.142 0.000 2.434 498 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.214 498 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.214 498 G C 1.881 176.606 174.900 -0.291 0.000 1.202 498 G CA 0.886 45.877 45.100 -0.182 0.000 0.788 498 G HN 0.551 nan 8.290 nan 0.000 0.539 499 A N 0.148 122.677 122.820 -0.485 0.000 1.884 499 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 499 A C 2.636 179.948 177.584 -0.453 0.000 1.197 499 A CA 2.381 54.097 52.037 -0.536 0.000 0.637 499 A CB -0.957 17.544 19.000 -0.832 0.000 0.827 499 A HN 0.328 nan 8.150 nan 0.000 0.450 500 V N -0.620 118.988 119.914 -0.509 0.000 2.295 500 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 500 V C 2.580 178.340 176.094 -0.556 0.000 1.049 500 V CA 2.007 63.899 62.300 -0.679 0.000 1.024 500 V CB -0.727 30.335 31.823 -1.270 0.000 0.648 500 V HN 0.390 nan 8.190 nan 0.000 0.447 501 V N -0.705 118.972 119.914 -0.394 0.000 2.358 501 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 501 V C 2.589 178.571 176.094 -0.187 0.000 1.047 501 V CA 2.190 64.344 62.300 -0.243 0.000 1.035 501 V CB -0.615 31.145 31.823 -0.105 0.000 0.658 501 V HN 0.525 nan 8.190 nan 0.000 0.452 502 S N -0.174 115.425 115.700 -0.168 0.000 2.387 502 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 502 S C 2.151 176.671 174.600 -0.133 0.000 1.035 502 S CA 1.645 59.779 58.200 -0.110 0.000 1.014 502 S CB -0.392 62.768 63.200 -0.067 0.000 0.836 502 S HN 0.667 nan 8.310 nan 0.000 0.466 503 A N 1.061 123.761 122.820 -0.200 0.000 1.872 503 A HA 0.042 4.361 4.320 -0.000 0.000 0.214 503 A C 1.954 179.444 177.584 -0.155 0.000 1.187 503 A CA 0.976 52.888 52.037 -0.208 0.000 0.614 503 A CB -0.682 18.158 19.000 -0.266 0.000 0.826 503 A HN 0.388 nan 8.150 nan 0.000 0.442 504 L N 0.142 121.261 121.223 -0.174 0.000 2.043 504 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 504 L C 2.399 179.229 176.870 -0.066 0.000 1.075 504 L CA 2.486 57.260 54.840 -0.110 0.000 0.752 504 L CB -0.965 41.005 42.059 -0.149 0.000 0.891 504 L HN 0.529 nan 8.230 nan 0.000 0.432 505 K N -0.106 120.247 120.400 -0.078 0.000 2.062 505 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 505 K C 2.002 178.582 176.600 -0.033 0.000 1.051 505 K CA 1.497 57.757 56.287 -0.047 0.000 0.941 505 K CB -0.415 32.058 32.500 -0.045 0.000 0.719 505 K HN 0.166 nan 8.250 nan 0.000 0.440 506 A N 0.486 123.273 122.820 -0.056 0.000 1.972 506 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 506 A C 1.726 179.301 177.584 -0.014 0.000 1.169 506 A CA 1.622 53.624 52.037 -0.058 0.000 0.635 506 A CB -0.648 18.265 19.000 -0.144 0.000 0.810 506 A HN 0.335 nan 8.150 nan 0.000 0.446 507 V N -3.914 116.002 119.914 0.004 0.000 3.252 507 V HA 0.585 4.705 4.120 -0.000 0.000 0.350 507 V C 1.109 177.248 176.094 0.076 0.000 1.329 507 V CA 0.446 62.788 62.300 0.070 0.000 1.258 507 V CB -0.972 30.905 31.823 0.090 0.000 1.208 507 V HN 1.380 nan 8.190 nan 0.000 0.462 508 G N 0.755 109.585 108.800 0.049 0.000 2.179 508 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 508 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 508 G C 0.034 174.961 174.900 0.046 0.000 0.977 508 G CA 0.208 45.338 45.100 0.049 0.000 0.641 508 G HN 0.562 nan 8.290 nan 0.000 0.533 509 I N 1.550 122.146 120.570 0.044 0.000 2.618 509 I HA 0.166 4.335 4.170 -0.000 0.000 0.284 509 I C 0.451 176.585 176.117 0.029 0.000 1.146 509 I CA -0.693 60.639 61.300 0.053 0.000 1.425 509 I CB 0.465 38.508 38.000 0.071 0.000 1.383 509 I HN 0.021 nan 8.210 nan 0.000 0.562 510 D N 5.197 125.622 120.400 0.040 0.000 2.382 510 D HA 0.006 4.646 4.640 -0.000 0.000 0.259 510 D C 1.294 177.592 176.300 -0.003 0.000 1.224 510 D CA 0.078 54.092 54.000 0.024 0.000 0.894 510 D CB 1.014 41.836 40.800 0.038 0.000 1.127 510 D HN 0.674 nan 8.370 nan 0.000 0.487 511 T N 1.190 115.729 114.554 -0.025 0.000 3.148 511 T HA 0.020 4.370 4.350 -0.000 0.000 0.253 511 T C 1.501 176.169 174.700 -0.054 0.000 1.134 511 T CA 0.243 62.306 62.100 -0.062 0.000 1.051 511 T CB 0.098 68.933 68.868 -0.055 0.000 0.959 511 T HN 0.220 nan 8.240 nan 0.000 0.525 512 R N 0.895 121.383 120.500 -0.020 0.000 2.313 512 R HA 0.284 4.624 4.340 -0.000 0.000 0.199 512 R C 0.774 177.078 176.300 0.006 0.000 0.958 512 R CA -0.022 56.075 56.100 -0.004 0.000 1.047 512 R CB -0.160 30.146 30.300 0.010 0.000 0.955 512 R HN 0.532 nan 8.270 nan 0.000 0.481 513 E N 0.587 120.790 120.200 0.006 0.000 2.413 513 E HA -0.031 4.318 4.350 -0.000 0.000 0.263 513 E C -1.627 175.001 176.600 0.048 0.000 1.015 513 E CA -1.482 54.956 56.400 0.065 0.000 0.916 513 E CB 0.823 30.618 29.700 0.158 0.000 0.947 513 E HN -0.104 nan 8.360 nan 0.000 0.440 514 P HA -0.159 nan 4.420 nan 0.000 0.221 514 P C 0.365 177.736 177.300 0.118 0.000 1.145 514 P CA 1.172 64.327 63.100 0.092 0.000 0.795 514 P CB -0.096 31.660 31.700 0.094 0.000 0.775 515 Y N -1.884 118.435 120.300 0.031 0.000 2.286 515 Y HA 0.080 4.630 4.550 -0.000 0.000 0.293 515 Y C 1.889 177.830 175.900 0.069 0.000 1.124 515 Y CA 0.717 58.830 58.100 0.022 0.000 1.178 515 Y CB -1.289 37.192 38.460 0.035 0.000 1.010 515 Y HN -0.174 nan 8.280 nan 0.000 0.536 516 I N 0.558 120.835 120.570 -0.487 0.000 2.617 516 I HA -0.151 4.019 4.170 -0.000 0.000 0.256 516 I C 2.039 178.098 176.117 -0.097 0.000 1.167 516 I CA 0.577 61.686 61.300 -0.317 0.000 1.469 516 I CB -0.322 37.405 38.000 -0.455 0.000 1.098 516 I HN 0.293 nan 8.210 nan 0.000 0.436 517 Q N 0.928 120.691 119.800 -0.062 0.000 2.123 517 Q HA -0.157 4.183 4.340 -0.000 0.000 0.199 517 Q C 2.093 178.109 176.000 0.027 0.000 0.966 517 Q CA 1.162 56.963 55.803 -0.003 0.000 0.845 517 Q CB -0.209 28.534 28.738 0.009 0.000 0.907 517 Q HN 0.437 nan 8.270 nan 0.000 0.439 518 K N 0.295 120.709 120.400 0.024 0.000 2.283 518 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 518 K C 1.839 178.469 176.600 0.050 0.000 1.048 518 K CA 0.824 57.133 56.287 0.037 0.000 0.948 518 K CB 0.108 32.617 32.500 0.016 0.000 0.742 518 K HN 0.123 nan 8.250 nan 0.000 0.458 519 A N 0.823 123.660 122.820 0.028 0.000 1.872 519 A HA -0.047 4.272 4.320 -0.000 0.000 0.214 519 A C 1.946 179.619 177.584 0.148 0.000 1.187 519 A CA 0.884 52.961 52.037 0.067 0.000 0.614 519 A CB -0.401 18.703 19.000 0.172 0.000 0.826 519 A HN 0.255 nan 8.150 nan 0.000 0.442 520 L N -0.452 120.832 121.223 0.102 0.000 2.217 520 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 520 L C 1.731 178.678 176.870 0.128 0.000 1.107 520 L CA 0.959 55.857 54.840 0.097 0.000 0.783 520 L CB -0.465 41.626 42.059 0.053 0.000 0.919 520 L HN 0.268 nan 8.230 nan 0.000 0.442 521 D N -0.838 119.639 120.400 0.129 0.000 2.149 521 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 521 D C 1.745 178.150 176.300 0.175 0.000 0.972 521 D CA 0.842 54.918 54.000 0.128 0.000 0.835 521 D CB -0.147 40.712 40.800 0.098 0.000 0.966 521 D HN 0.363 nan 8.370 nan 0.000 0.476 522 W N 1.426 122.727 121.300 0.002 0.000 2.338 522 W HA -0.227 4.432 4.660 -0.000 0.000 0.304 522 W C 2.045 178.552 176.519 -0.020 0.000 1.212 522 W CA 1.323 58.638 57.345 -0.050 0.000 1.264 522 W CB -0.166 29.199 29.460 -0.159 0.000 1.142 522 W HN -0.238 nan 8.180 nan 0.000 0.512 523 V N 0.416 120.537 119.914 0.345 0.000 2.270 523 V HA -0.322 3.798 4.120 -0.000 0.000 0.245 523 V C 2.126 178.414 176.094 0.324 0.000 1.043 523 V CA 2.409 64.851 62.300 0.237 0.000 1.014 523 V CB -1.179 30.700 31.823 0.093 0.000 0.645 523 V HN 0.257 nan 8.190 nan 0.000 0.447 524 E N -0.154 120.204 120.200 0.263 0.000 2.118 524 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 524 E C 2.211 178.931 176.600 0.201 0.000 0.992 524 E CA 1.569 58.142 56.400 0.288 0.000 0.804 524 E CB -0.084 29.722 29.700 0.177 0.000 0.741 524 E HN 0.666 nan 8.360 nan 0.000 0.458 525 Q N -1.160 118.721 119.800 0.135 0.000 2.311 525 Q HA -0.076 4.264 4.340 -0.000 0.000 0.203 525 Q C 0.716 176.703 176.000 -0.021 0.000 0.954 525 Q CA 0.715 56.545 55.803 0.045 0.000 0.885 525 Q CB 0.254 29.014 28.738 0.035 0.000 0.963 525 Q HN 0.377 nan 8.270 nan 0.000 0.471 526 H N -0.376 118.581 119.070 -0.187 0.000 2.537 526 H HA 0.174 4.730 4.556 -0.000 0.000 0.295 526 H C -0.510 174.727 175.328 -0.152 0.000 1.054 526 H CA -0.100 55.810 56.048 -0.229 0.000 1.156 526 H CB 0.039 29.502 29.762 -0.499 0.000 1.468 526 H HN 0.118 nan 8.280 nan 0.000 0.551 527 Q N 1.383 121.022 119.800 -0.268 0.000 2.296 527 Q HA 0.082 4.422 4.340 -0.000 0.000 0.262 527 Q C -0.296 175.298 176.000 -0.677 0.000 0.981 527 Q CA -0.657 54.520 55.803 -1.042 0.000 0.905 527 Q CB 0.556 28.753 28.738 -0.902 0.000 1.186 527 Q HN 0.320 nan 8.270 nan 0.000 0.399 528 N N 4.734 123.009 118.700 -0.709 0.000 2.453 528 N HA 0.041 4.781 4.740 -0.000 0.000 0.253 528 N C -1.794 173.497 175.510 -0.365 0.000 1.252 528 N CA -1.252 51.541 53.050 -0.429 0.000 0.917 528 N CB 0.440 38.710 38.487 -0.361 0.000 1.117 528 N HN 0.528 nan 8.380 nan 0.000 0.442 529 P HA -0.127 nan 4.420 nan 0.000 0.222 529 P C 0.348 177.567 177.300 -0.136 0.000 1.147 529 P CA 1.092 64.088 63.100 -0.173 0.000 0.790 529 P CB 0.184 31.810 31.700 -0.122 0.000 0.780 530 D N -1.224 119.101 120.400 -0.126 0.000 2.363 530 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 530 D C 1.544 177.835 176.300 -0.014 0.000 1.020 530 D CA 0.830 54.820 54.000 -0.018 0.000 0.892 530 D CB -0.720 40.139 40.800 0.098 0.000 0.900 530 D HN 0.282 nan 8.370 nan 0.000 0.531 531 G N -0.927 107.741 108.800 -0.221 0.000 2.279 531 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.223 531 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.223 531 G C 0.689 175.255 174.900 -0.556 0.000 1.015 531 G CA 0.093 45.029 45.100 -0.273 0.000 0.621 531 G HN 0.814 nan 8.290 nan 0.000 0.506 532 G N -1.244 107.069 108.800 -0.812 0.000 2.543 532 G HA2 0.500 4.459 3.960 -0.000 0.000 0.290 532 G HA3 0.500 4.459 3.960 -0.000 0.000 0.290 532 G C -0.239 174.220 174.900 -0.735 0.000 1.310 532 G CA -0.441 44.050 45.100 -1.015 0.000 1.025 532 G HN 0.301 nan 8.290 nan 0.000 0.502 533 W N -1.002 120.058 121.300 -0.399 0.000 2.761 533 W HA 0.592 5.251 4.660 -0.000 0.000 0.340 533 W C 0.096 176.498 176.519 -0.196 0.000 1.072 533 W CA -0.728 56.486 57.345 -0.220 0.000 1.215 533 W CB 2.393 31.787 29.460 -0.110 0.000 1.420 533 W HN 0.796 nan 8.180 nan 0.000 0.519 534 G N 1.017 109.860 108.800 0.071 0.000 2.642 534 G HA2 0.589 4.549 3.960 -0.000 0.000 0.293 534 G HA3 0.589 4.549 3.960 -0.000 0.000 0.293 534 G C -1.898 173.060 174.900 0.097 0.000 1.341 534 G CA -0.548 44.575 45.100 0.038 0.000 0.916 534 G HN 0.369 nan 8.290 nan 0.000 0.474 535 E N 0.331 120.584 120.200 0.089 0.000 2.349 535 E HA 0.257 4.607 4.350 -0.000 0.000 0.290 535 E C -1.725 174.913 176.600 0.063 0.000 0.901 535 E CA -0.582 55.902 56.400 0.140 0.000 0.800 535 E CB 2.062 31.896 29.700 0.224 0.000 1.303 535 E HN 0.416 nan 8.360 nan 0.000 0.397 536 D N 2.065 122.493 120.400 0.046 0.000 2.344 536 D HA 0.127 4.766 4.640 -0.000 0.000 0.244 536 D C 0.630 176.821 176.300 -0.181 0.000 1.134 536 D CA -0.334 53.604 54.000 -0.103 0.000 0.930 536 D CB 0.953 41.652 40.800 -0.167 0.000 1.175 536 D HN 0.509 nan 8.370 nan 0.000 0.437 537 C N 1.512 120.536 119.300 -0.459 0.000 2.422 537 C HA -0.019 4.440 4.460 -0.000 0.000 0.286 537 C C 2.249 176.998 174.990 -0.401 0.000 1.412 537 C CA 0.211 58.796 59.018 -0.721 0.000 1.786 537 C CB -1.081 25.398 27.740 -2.102 0.000 1.835 537 C HN 0.623 nan 8.230 nan 0.000 0.533 538 R N 0.526 120.842 120.500 -0.306 0.000 2.293 538 R HA -0.113 4.227 4.340 -0.000 0.000 0.219 538 R C 2.333 178.646 176.300 0.022 0.000 1.091 538 R CA 1.132 57.138 56.100 -0.157 0.000 1.004 538 R CB -0.312 29.668 30.300 -0.535 0.000 0.865 538 R HN 0.509 nan 8.270 nan 0.000 0.469 539 S N -0.209 115.517 115.700 0.043 0.000 2.442 539 S HA -0.132 4.338 4.470 -0.000 0.000 0.236 539 S C 1.330 175.966 174.600 0.060 0.000 1.007 539 S CA 0.918 59.196 58.200 0.130 0.000 0.965 539 S CB -0.068 63.178 63.200 0.075 0.000 0.773 539 S HN 0.387 nan 8.310 nan 0.000 0.504 540 Y N 0.885 121.285 120.300 0.165 0.000 2.509 540 Y HA 0.207 4.757 4.550 -0.000 0.000 0.293 540 Y C 2.238 178.277 175.900 0.233 0.000 1.133 540 Y CA 0.812 59.042 58.100 0.218 0.000 1.283 540 Y CB 0.087 38.684 38.460 0.227 0.000 1.001 540 Y HN 0.358 nan 8.280 nan 0.000 0.555 541 E N -1.069 119.324 120.200 0.321 0.000 2.630 541 E HA 0.057 4.407 4.350 -0.000 0.000 0.218 541 E C -0.704 176.026 176.600 0.218 0.000 0.977 541 E CA 0.000 56.552 56.400 0.253 0.000 1.038 541 E CB 0.715 30.555 29.700 0.234 0.000 1.051 541 E HN 0.031 nan 8.360 nan 0.000 0.487 542 D N -0.392 120.153 120.400 0.242 0.000 2.736 542 D HA 0.163 4.803 4.640 -0.000 0.000 0.243 542 D C -2.137 174.316 176.300 0.255 0.000 1.304 542 D CA -2.206 51.941 54.000 0.245 0.000 0.934 542 D CB 1.820 42.807 40.800 0.313 0.000 1.382 542 D HN -0.263 nan 8.370 nan 0.000 0.571 543 P HA -0.155 nan 4.420 nan 0.000 0.216 543 P C 1.114 178.484 177.300 0.117 0.000 1.154 543 P CA 1.649 64.835 63.100 0.144 0.000 0.865 543 P CB 0.228 31.983 31.700 0.091 0.000 0.789 544 A N -1.995 120.881 122.820 0.093 0.000 2.032 544 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 544 A C 1.791 179.311 177.584 -0.107 0.000 1.165 544 A CA 1.486 53.513 52.037 -0.018 0.000 0.645 544 A CB -1.766 17.206 19.000 -0.047 0.000 0.807 544 A HN 0.214 nan 8.150 nan 0.000 0.453 545 Y N -0.431 119.921 120.300 0.087 0.000 2.466 545 Y HA 0.417 4.967 4.550 -0.000 0.000 0.272 545 Y C 1.522 177.516 175.900 0.156 0.000 1.169 545 Y CA -0.230 57.926 58.100 0.093 0.000 1.285 545 Y CB -0.192 38.318 38.460 0.083 0.000 1.078 545 Y HN 0.308 nan 8.280 nan 0.000 0.523 546 A N 0.423 123.415 122.820 0.287 0.000 2.537 546 A HA 0.354 4.674 4.320 -0.000 0.000 0.260 546 A C 1.593 179.439 177.584 0.437 0.000 1.082 546 A CA 0.753 53.014 52.037 0.373 0.000 0.765 546 A CB -0.996 18.055 19.000 0.086 0.000 1.019 546 A HN 0.865 nan 8.150 nan 0.000 0.507 547 G N 1.629 110.752 108.800 0.539 0.000 2.258 547 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.274 547 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.274 547 G C 0.124 175.181 174.900 0.261 0.000 1.021 547 G CA 1.114 46.491 45.100 0.461 0.000 0.798 547 G HN 1.123 nan 8.290 nan 0.000 0.507 548 K N -0.313 120.204 120.400 0.196 0.000 2.426 548 K HA 0.676 4.996 4.320 -0.000 0.000 0.254 548 K C 0.332 177.028 176.600 0.161 0.000 0.936 548 K CA 0.007 56.332 56.287 0.063 0.000 0.801 548 K CB 1.359 33.786 32.500 -0.122 0.000 1.139 548 K HN 0.984 nan 8.250 nan 0.000 0.424 549 G N 1.392 110.229 108.800 0.062 0.000 2.322 549 G HA2 0.460 4.419 3.960 -0.000 0.000 0.295 549 G HA3 0.460 4.419 3.960 -0.000 0.000 0.295 549 G C -1.595 173.254 174.900 -0.086 0.000 1.369 549 G CA -0.525 44.586 45.100 0.019 0.000 0.821 549 G HN 0.684 nan 8.290 nan 0.000 0.536 550 A N 0.244 122.937 122.820 -0.211 0.000 2.477 550 A HA 0.616 4.936 4.320 -0.000 0.000 0.246 550 A C 1.016 178.526 177.584 -0.124 0.000 1.078 550 A CA 0.509 52.435 52.037 -0.185 0.000 0.770 550 A CB -0.013 18.818 19.000 -0.282 0.000 1.011 550 A HN 1.434 nan 8.150 nan 0.000 0.494 551 S N 0.985 116.653 115.700 -0.053 0.000 2.552 551 S HA 0.371 4.841 4.470 -0.000 0.000 0.289 551 S C 0.815 175.465 174.600 0.082 0.000 1.304 551 S CA 0.576 58.738 58.200 -0.064 0.000 1.063 551 S CB 0.119 63.179 63.200 -0.232 0.000 0.848 551 S HN 1.050 nan 8.310 nan 0.000 0.499 552 T N 0.618 115.204 114.554 0.054 0.000 2.924 552 T HA 0.535 4.884 4.350 -0.000 0.000 0.291 552 T C -2.300 172.440 174.700 0.066 0.000 1.045 552 T CA -2.056 60.117 62.100 0.121 0.000 1.015 552 T CB 1.799 70.716 68.868 0.083 0.000 1.103 552 T HN 0.237 nan 8.240 nan 0.000 0.496 553 P HA -0.096 nan 4.420 nan 0.000 0.217 553 P C 1.742 178.855 177.300 -0.311 0.000 1.151 553 P CA 1.255 64.279 63.100 -0.125 0.000 0.828 553 P CB -0.064 31.492 31.700 -0.241 0.000 0.788 554 S N -0.046 115.443 115.700 -0.351 0.000 2.357 554 S HA -0.162 4.308 4.470 -0.000 0.000 0.221 554 S C 2.200 175.966 174.600 -1.390 0.000 1.031 554 S CA 0.786 58.548 58.200 -0.730 0.000 0.982 554 S CB -1.323 61.553 63.200 -0.538 0.000 0.853 554 S HN 0.154 nan 8.310 nan 0.000 0.458 555 Q N 0.673 119.908 119.800 -0.941 0.000 2.123 555 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 555 Q C 2.331 178.167 176.000 -0.273 0.000 0.966 555 Q CA 1.640 57.083 55.803 -0.600 0.000 0.845 555 Q CB -0.607 28.049 28.738 -0.136 0.000 0.907 555 Q HN 0.582 nan 8.270 nan 0.000 0.439 556 T N 1.070 115.518 114.554 -0.176 0.000 2.665 556 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 556 T C 1.914 176.520 174.700 -0.156 0.000 1.035 556 T CA 1.422 63.521 62.100 -0.001 0.000 1.151 556 T CB -0.370 68.498 68.868 -0.000 0.000 0.862 556 T HN 0.440 nan 8.240 nan 0.000 0.438 557 A N 0.968 123.606 122.820 -0.303 0.000 1.908 557 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 557 A C 2.147 179.639 177.584 -0.153 0.000 1.181 557 A CA 1.539 53.427 52.037 -0.249 0.000 0.627 557 A CB -0.919 17.917 19.000 -0.273 0.000 0.818 557 A HN 0.620 nan 8.150 nan 0.000 0.445 558 W N -0.583 120.564 121.300 -0.254 0.000 2.381 558 W HA 0.050 4.710 4.660 -0.000 0.000 0.301 558 W C 2.798 179.122 176.519 -0.326 0.000 1.205 558 W CA 0.607 57.776 57.345 -0.293 0.000 1.285 558 W CB -1.332 27.952 29.460 -0.294 0.000 1.133 558 W HN 0.449 nan 8.180 nan 0.000 0.521 559 A N 0.047 122.696 122.820 -0.285 0.000 1.873 559 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 559 A C 2.049 179.242 177.584 -0.652 0.000 1.186 559 A CA 1.322 52.927 52.037 -0.721 0.000 0.616 559 A CB -0.994 16.937 19.000 -1.783 0.000 0.823 559 A HN 0.117 nan 8.150 nan 0.000 0.442 560 L N -0.579 120.334 121.223 -0.517 0.000 2.081 560 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 560 L C 2.566 179.367 176.870 -0.114 0.000 1.080 560 L CA 1.942 56.641 54.840 -0.235 0.000 0.754 560 L CB -0.603 41.397 42.059 -0.099 0.000 0.893 560 L HN 0.428 nan 8.230 nan 0.000 0.433 561 M N -2.360 117.187 119.600 -0.087 0.000 2.419 561 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 561 M C 2.112 178.384 176.300 -0.046 0.000 1.082 561 M CA 1.060 56.345 55.300 -0.025 0.000 1.119 561 M CB -0.254 32.362 32.600 0.027 0.000 1.398 561 M HN 0.307 nan 8.290 nan 0.000 0.453 562 A N 0.866 123.633 122.820 -0.089 0.000 1.854 562 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 562 A C 2.035 179.587 177.584 -0.053 0.000 1.192 562 A CA 1.032 53.022 52.037 -0.078 0.000 0.611 562 A CB -0.784 18.163 19.000 -0.088 0.000 0.832 562 A HN 0.397 nan 8.150 nan 0.000 0.442 563 L N -0.485 120.698 121.223 -0.068 0.000 2.013 563 L HA -0.238 4.101 4.340 -0.000 0.000 0.212 563 L C 2.558 179.434 176.870 0.009 0.000 1.073 563 L CA 1.673 56.503 54.840 -0.016 0.000 0.753 563 L CB -0.751 41.306 42.059 -0.002 0.000 0.890 563 L HN 0.382 nan 8.230 nan 0.000 0.432 564 I N -0.010 120.567 120.570 0.011 0.000 2.252 564 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 564 I C 2.790 178.910 176.117 0.005 0.000 1.102 564 I CA 1.110 62.425 61.300 0.026 0.000 1.385 564 I CB -0.419 37.607 38.000 0.044 0.000 1.064 564 I HN 0.189 nan 8.210 nan 0.000 0.414 565 A N 0.575 123.391 122.820 -0.007 0.000 2.019 565 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 565 A C 2.144 179.716 177.584 -0.021 0.000 1.164 565 A CA 1.731 53.758 52.037 -0.017 0.000 0.644 565 A CB -1.062 17.918 19.000 -0.033 0.000 0.805 565 A HN 0.483 nan 8.150 nan 0.000 0.449 566 G N -1.486 107.303 108.800 -0.017 0.000 3.448 566 G HA2 0.407 4.366 3.960 -0.000 0.000 0.261 566 G HA3 0.407 4.366 3.960 -0.000 0.000 0.261 566 G C 0.943 175.841 174.900 -0.003 0.000 1.173 566 G CA 0.438 45.529 45.100 -0.015 0.000 0.835 566 G HN 1.481 nan 8.290 nan 0.000 0.534 567 G N 0.699 109.499 108.800 -0.001 0.000 2.338 567 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.296 567 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.296 567 G C 0.657 175.566 174.900 0.015 0.000 1.040 567 G CA -0.032 45.069 45.100 0.003 0.000 1.004 567 G HN 0.565 nan 8.290 nan 0.000 0.509 568 R N -0.631 119.885 120.500 0.027 0.000 2.700 568 R HA 0.464 4.804 4.340 -0.000 0.000 0.399 568 R C 2.021 178.367 176.300 0.077 0.000 1.115 568 R CA 0.322 56.451 56.100 0.049 0.000 1.058 568 R CB 0.437 30.771 30.300 0.057 0.000 1.389 568 R HN 0.406 nan 8.270 nan 0.000 0.582 569 A N 1.082 123.938 122.820 0.061 0.000 1.968 569 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 569 A C 1.737 179.390 177.584 0.115 0.000 1.169 569 A CA 1.076 53.169 52.037 0.093 0.000 0.638 569 A CB 0.022 18.993 19.000 -0.048 0.000 0.812 569 A HN 0.298 nan 8.150 nan 0.000 0.446 570 E N 0.795 121.031 120.200 0.059 0.000 2.358 570 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 570 E C 0.745 177.397 176.600 0.088 0.000 1.010 570 E CA 0.359 56.798 56.400 0.064 0.000 0.856 570 E CB -0.003 29.716 29.700 0.032 0.000 0.795 570 E HN 0.713 nan 8.360 nan 0.000 0.504 571 S N 0.483 116.239 115.700 0.094 0.000 2.573 571 S HA -0.003 4.466 4.470 -0.000 0.000 0.277 571 S C 1.016 175.678 174.600 0.105 0.000 1.346 571 S CA -0.442 57.813 58.200 0.091 0.000 1.034 571 S CB 1.440 64.697 63.200 0.095 0.000 0.879 571 S HN 0.111 nan 8.310 nan 0.000 0.528 572 E N 1.492 121.741 120.200 0.081 0.000 2.160 572 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 572 E C 2.215 178.862 176.600 0.078 0.000 0.991 572 E CA 1.237 57.679 56.400 0.069 0.000 0.810 572 E CB -0.415 29.311 29.700 0.042 0.000 0.742 572 E HN 0.858 nan 8.360 nan 0.000 0.466 573 A N 1.156 124.041 122.820 0.109 0.000 1.873 573 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 573 A C 2.363 180.098 177.584 0.252 0.000 1.186 573 A CA 1.718 53.855 52.037 0.166 0.000 0.616 573 A CB -0.568 18.581 19.000 0.249 0.000 0.823 573 A HN 0.329 nan 8.150 nan 0.000 0.442 574 A N -0.589 122.364 122.820 0.221 0.000 1.933 574 A HA -0.139 4.180 4.320 -0.000 0.000 0.218 574 A C 2.225 179.868 177.584 0.099 0.000 1.175 574 A CA 1.775 53.928 52.037 0.194 0.000 0.628 574 A CB -0.406 18.718 19.000 0.206 0.000 0.814 574 A HN 0.503 nan 8.150 nan 0.000 0.444 575 R N -0.838 119.726 120.500 0.107 0.000 2.148 575 R HA 0.043 4.382 4.340 -0.000 0.000 0.223 575 R C 2.277 178.597 176.300 0.033 0.000 1.088 575 R CA 0.979 57.116 56.100 0.061 0.000 0.985 575 R CB -0.118 30.248 30.300 0.111 0.000 0.880 575 R HN 0.492 nan 8.270 nan 0.000 0.451 576 R N -1.428 119.095 120.500 0.038 0.000 2.127 576 R HA 0.049 4.388 4.340 -0.000 0.000 0.217 576 R C 2.117 178.431 176.300 0.023 0.000 1.074 576 R CA 1.068 57.171 56.100 0.006 0.000 0.991 576 R CB -0.060 30.207 30.300 -0.055 0.000 0.895 576 R HN 0.294 nan 8.270 nan 0.000 0.450 577 G N 0.242 109.086 108.800 0.074 0.000 2.403 577 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.216 577 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.216 577 G C 1.407 176.397 174.900 0.150 0.000 1.154 577 G CA 0.332 45.548 45.100 0.194 0.000 0.784 577 G HN 0.070 nan 8.290 nan 0.000 0.538 578 V N 0.676 120.587 119.914 -0.004 0.000 2.261 578 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 578 V C 2.784 178.890 176.094 0.019 0.000 1.047 578 V CA 2.300 64.526 62.300 -0.123 0.000 1.015 578 V CB -0.474 31.046 31.823 -0.504 0.000 0.642 578 V HN 0.438 nan 8.190 nan 0.000 0.446 579 Q N -0.438 119.386 119.800 0.040 0.000 2.135 579 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 579 Q C 2.015 178.080 176.000 0.108 0.000 0.981 579 Q CA 2.314 58.161 55.803 0.073 0.000 0.856 579 Q CB -0.715 28.058 28.738 0.060 0.000 0.902 579 Q HN 0.773 nan 8.270 nan 0.000 0.425 580 Y N -0.209 120.106 120.300 0.025 0.000 2.181 580 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 580 Y C 1.550 177.525 175.900 0.125 0.000 1.146 580 Y CA 1.697 59.824 58.100 0.044 0.000 1.164 580 Y CB -0.136 38.326 38.460 0.004 0.000 0.982 580 Y HN 0.157 nan 8.280 nan 0.000 0.515 581 L N -1.059 120.284 121.223 0.201 0.000 2.093 581 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 581 L C 2.384 179.476 176.870 0.370 0.000 1.085 581 L CA 0.974 55.962 54.840 0.247 0.000 0.755 581 L CB -0.681 41.470 42.059 0.153 0.000 0.904 581 L HN 0.136 nan 8.230 nan 0.000 0.435 582 V N -0.153 119.878 119.914 0.195 0.000 2.332 582 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 582 V C 2.237 178.348 176.094 0.027 0.000 1.055 582 V CA 1.949 64.325 62.300 0.126 0.000 1.038 582 V CB -0.374 31.505 31.823 0.093 0.000 0.651 582 V HN 0.460 nan 8.190 nan 0.000 0.450 583 E N -0.477 119.711 120.200 -0.019 0.000 2.340 583 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 583 E C 2.065 178.586 176.600 -0.131 0.000 0.996 583 E CA 1.121 57.478 56.400 -0.071 0.000 0.869 583 E CB 0.132 29.798 29.700 -0.057 0.000 0.835 583 E HN 0.794 nan 8.360 nan 0.000 0.493 584 T N -2.071 112.374 114.554 -0.182 0.000 3.040 584 T HA 0.061 4.411 4.350 -0.000 0.000 0.250 584 T C 0.856 175.441 174.700 -0.191 0.000 1.058 584 T CA -0.377 61.614 62.100 -0.182 0.000 0.988 584 T CB 0.247 68.905 68.868 -0.350 0.000 0.993 584 T HN -0.071 nan 8.240 nan 0.000 0.519 585 Q N 1.689 121.277 119.800 -0.353 0.000 2.333 585 Q HA 0.074 4.414 4.340 -0.000 0.000 0.299 585 Q C -0.094 175.552 176.000 -0.590 0.000 1.067 585 Q CA 0.045 55.234 55.803 -1.024 0.000 0.943 585 Q CB 0.574 28.750 28.738 -0.937 0.000 1.233 585 Q HN 0.437 nan 8.270 nan 0.000 0.401 586 R N 3.654 123.786 120.500 -0.612 0.000 2.615 586 R HA 0.091 4.430 4.340 -0.000 0.000 0.270 586 R C -1.620 174.479 176.300 -0.334 0.000 1.081 586 R CA -1.561 54.319 56.100 -0.367 0.000 1.154 586 R CB -0.063 30.045 30.300 -0.320 0.000 1.063 586 R HN 0.581 nan 8.270 nan 0.000 0.519 587 P HA -0.228 nan 4.420 nan 0.000 0.218 587 P C 0.445 177.631 177.300 -0.190 0.000 1.150 587 P CA 1.521 64.516 63.100 -0.176 0.000 0.841 587 P CB 0.070 31.698 31.700 -0.121 0.000 0.784 588 D N -2.472 117.788 120.400 -0.235 0.000 2.355 588 D HA 0.065 4.704 4.640 -0.000 0.000 0.218 588 D C 1.449 177.573 176.300 -0.294 0.000 1.004 588 D CA 0.934 54.807 54.000 -0.212 0.000 0.880 588 D CB -0.678 40.015 40.800 -0.178 0.000 0.911 588 D HN 0.276 nan 8.370 nan 0.000 0.528 589 G N -1.128 107.411 108.800 -0.437 0.000 2.201 589 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.212 589 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.212 589 G C 0.580 175.094 174.900 -0.643 0.000 0.994 589 G CA -0.013 44.832 45.100 -0.425 0.000 0.644 589 G HN 0.792 nan 8.290 nan 0.000 0.508 590 G N -1.510 106.754 108.800 -0.893 0.000 2.642 590 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 590 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 590 G C -0.540 174.124 174.900 -0.394 0.000 1.345 590 G CA -0.806 43.994 45.100 -0.499 0.000 1.043 590 G HN 0.257 nan 8.290 nan 0.000 0.528 591 W N -0.364 120.997 121.300 0.103 0.000 2.915 591 W HA 0.299 4.959 4.660 -0.000 0.000 0.337 591 W C -1.014 175.498 176.519 -0.012 0.000 1.102 591 W CA -0.561 56.783 57.345 -0.002 0.000 1.224 591 W CB 2.161 31.618 29.460 -0.006 0.000 1.416 591 W HN 0.370 nan 8.180 nan 0.000 0.503 592 D N 1.500 122.012 120.400 0.187 0.000 2.341 592 D HA 0.124 4.764 4.640 -0.000 0.000 0.245 592 D C -0.338 176.056 176.300 0.156 0.000 1.106 592 D CA 0.601 54.681 54.000 0.133 0.000 0.905 592 D CB 1.421 42.272 40.800 0.086 0.000 1.202 592 D HN 0.323 nan 8.370 nan 0.000 0.426 593 E N 1.824 122.096 120.200 0.121 0.000 2.759 593 E HA 0.161 4.511 4.350 -0.000 0.000 0.318 593 E C -2.241 174.424 176.600 0.108 0.000 1.093 593 E CA -1.189 55.298 56.400 0.145 0.000 0.762 593 E CB 1.265 31.055 29.700 0.149 0.000 1.543 593 E HN 0.092 nan 8.360 nan 0.000 0.381 594 P HA 0.076 nan 4.420 nan 0.000 0.255 594 P C -0.863 176.244 177.300 -0.323 0.000 1.301 594 P CA 0.175 63.172 63.100 -0.172 0.000 0.817 594 P CB -0.223 31.286 31.700 -0.317 0.000 1.259 595 Y N -0.863 119.518 120.300 0.136 0.000 2.485 595 Y HA 0.367 4.916 4.550 -0.000 0.000 0.345 595 Y C 0.638 176.710 175.900 0.286 0.000 0.998 595 Y CA -1.305 56.874 58.100 0.130 0.000 1.059 595 Y CB 0.833 39.351 38.460 0.096 0.000 1.234 595 Y HN -0.191 nan 8.280 nan 0.000 0.461 596 Y N 0.957 121.403 120.300 0.244 0.000 2.359 596 Y HA 0.162 4.712 4.550 -0.000 0.000 0.330 596 Y C 1.261 177.275 175.900 0.191 0.000 1.143 596 Y CA -0.764 57.450 58.100 0.191 0.000 1.318 596 Y CB 0.787 39.343 38.460 0.159 0.000 1.234 596 Y HN 0.674 nan 8.280 nan 0.000 0.522 597 T N -1.395 113.399 114.554 0.400 0.000 3.145 597 T HA 0.403 4.753 4.350 -0.000 0.000 0.281 597 T C 0.512 175.490 174.700 0.463 0.000 1.003 597 T CA -0.086 62.263 62.100 0.416 0.000 0.901 597 T CB -0.098 69.022 68.868 0.419 0.000 1.112 597 T HN 0.651 nan 8.240 nan 0.000 0.535 598 G N 0.541 109.576 108.800 0.393 0.000 2.400 598 G HA2 0.568 4.528 3.960 -0.000 0.000 0.333 598 G HA3 0.568 4.528 3.960 -0.000 0.000 0.333 598 G C -0.998 174.077 174.900 0.292 0.000 1.143 598 G CA -0.600 44.738 45.100 0.396 0.000 0.914 598 G HN 0.234 nan 8.290 nan 0.000 0.480 599 T N 0.600 115.263 114.554 0.181 0.000 2.812 599 T HA 0.540 4.889 4.350 -0.000 0.000 0.282 599 T C 1.068 175.722 174.700 -0.077 0.000 0.990 599 T CA 0.141 62.223 62.100 -0.030 0.000 0.960 599 T CB 1.877 70.609 68.868 -0.227 0.000 0.948 599 T HN 0.626 nan 8.240 nan 0.000 0.438 600 G N 1.780 110.434 108.800 -0.243 0.000 2.564 600 G HA2 0.335 4.295 3.960 -0.000 0.000 0.212 600 G HA3 0.335 4.295 3.960 -0.000 0.000 0.212 600 G C -0.388 173.936 174.900 -0.961 0.000 1.199 600 G CA 0.155 44.986 45.100 -0.449 0.000 0.832 600 G HN 0.541 nan 8.290 nan 0.000 0.565 601 F N 0.945 120.631 119.950 -0.441 0.000 2.529 601 F HA 0.498 5.025 4.527 -0.000 0.000 0.320 601 F C -2.448 172.945 175.800 -0.678 0.000 1.118 601 F CA -3.297 54.372 58.000 -0.553 0.000 0.915 601 F CB 1.959 40.668 39.000 -0.485 0.000 1.161 601 F HN -0.150 nan 8.300 nan 0.000 0.445 602 P HA 0.133 nan 4.420 nan 0.000 0.258 602 P C 0.863 178.033 177.300 -0.217 0.000 1.172 602 P CA 1.414 64.217 63.100 -0.496 0.000 0.762 602 P CB 0.368 32.030 31.700 -0.062 0.000 0.764 603 G N 3.212 111.959 108.800 -0.089 0.000 2.284 603 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.261 603 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.261 603 G C 0.765 175.714 174.900 0.081 0.000 0.997 603 G CA 0.450 45.636 45.100 0.142 0.000 0.621 603 G HN 0.508 nan 8.290 nan 0.000 0.534 604 D N -1.656 118.642 120.400 -0.170 0.000 2.480 604 D HA 0.339 4.979 4.640 -0.000 0.000 0.243 604 D C -0.235 176.075 176.300 0.016 0.000 1.120 604 D CA 0.206 54.120 54.000 -0.144 0.000 0.835 604 D CB 0.913 41.338 40.800 -0.624 0.000 1.204 604 D HN 0.317 nan 8.370 nan 0.000 0.513 605 F N 1.025 120.708 119.950 -0.444 0.000 2.749 605 F HA 0.293 4.820 4.527 -0.000 0.000 0.339 605 F C -1.883 173.573 175.800 -0.573 0.000 1.211 605 F CA -0.746 57.099 58.000 -0.257 0.000 1.099 605 F CB 1.012 39.947 39.000 -0.108 0.000 1.359 605 F HN -0.328 nan 8.300 nan 0.000 0.549 606 Y N 5.307 125.552 120.300 -0.090 0.000 2.524 606 Y HA 0.792 5.342 4.550 -0.000 0.000 0.344 606 Y C -0.892 174.960 175.900 -0.081 0.000 1.012 606 Y CA -1.101 57.020 58.100 0.037 0.000 1.068 606 Y CB 2.071 40.666 38.460 0.224 0.000 1.249 606 Y HN 0.375 nan 8.280 nan 0.000 0.468 607 L N 1.420 122.657 121.223 0.024 0.000 2.386 607 L HA 0.718 5.058 4.340 -0.000 0.000 0.271 607 L C 0.127 176.647 176.870 -0.582 0.000 0.993 607 L CA -0.971 53.669 54.840 -0.332 0.000 0.819 607 L CB 2.202 44.146 42.059 -0.191 0.000 1.294 607 L HN 0.864 nan 8.230 nan 0.000 0.414 608 G N 1.485 109.668 108.800 -1.028 0.000 2.504 608 G HA2 0.401 4.360 3.960 -0.000 0.000 0.326 608 G HA3 0.401 4.360 3.960 -0.000 0.000 0.326 608 G C -1.043 173.680 174.900 -0.296 0.000 1.073 608 G CA -0.205 44.546 45.100 -0.581 0.000 1.030 608 G HN 0.374 nan 8.290 nan 0.000 0.448 609 Y N 2.639 122.751 120.300 -0.313 0.000 2.640 609 Y HA 0.110 4.660 4.550 -0.000 0.000 0.355 609 Y C 2.233 178.026 175.900 -0.179 0.000 1.088 609 Y CA 0.017 57.902 58.100 -0.358 0.000 1.443 609 Y CB 0.676 38.510 38.460 -1.043 0.000 1.224 609 Y HN 0.664 nan 8.280 nan 0.000 0.516 610 T N -1.415 113.169 114.554 0.049 0.000 3.025 610 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 610 T C 1.635 176.430 174.700 0.158 0.000 1.126 610 T CA 0.964 63.120 62.100 0.093 0.000 1.105 610 T CB 0.013 68.923 68.868 0.070 0.000 0.884 610 T HN 0.449 nan 8.240 nan 0.000 0.522 611 M N -0.303 119.434 119.600 0.228 0.000 2.514 611 M HA 0.207 4.687 4.480 -0.000 0.000 0.258 611 M C 1.461 177.962 176.300 0.334 0.000 1.119 611 M CA 0.368 55.849 55.300 0.301 0.000 1.111 611 M CB -0.930 31.835 32.600 0.274 0.000 1.390 611 M HN 0.209 nan 8.290 nan 0.000 0.475 612 Y N 1.771 122.200 120.300 0.215 0.000 2.207 612 Y HA -0.216 4.334 4.550 -0.000 0.000 0.287 612 Y C 2.461 178.449 175.900 0.147 0.000 1.156 612 Y CA 1.453 59.743 58.100 0.316 0.000 1.182 612 Y CB -1.007 37.717 38.460 0.440 0.000 0.979 612 Y HN 0.402 nan 8.280 nan 0.000 0.521 613 R N -0.824 119.760 120.500 0.141 0.000 2.193 613 R HA -0.145 4.194 4.340 -0.000 0.000 0.229 613 R C 1.131 177.405 176.300 -0.045 0.000 1.110 613 R CA 2.027 58.097 56.100 -0.049 0.000 0.988 613 R CB -0.803 29.419 30.300 -0.130 0.000 0.871 613 R HN 0.452 nan 8.270 nan 0.000 0.458 614 H N -0.441 118.789 119.070 0.267 0.000 2.422 614 H HA 0.109 4.664 4.556 -0.000 0.000 0.303 614 H C 2.083 177.478 175.328 0.111 0.000 1.033 614 H CA 0.417 56.656 56.048 0.317 0.000 1.335 614 H CB 0.225 30.219 29.762 0.386 0.000 1.458 614 H HN -0.015 nan 8.280 nan 0.000 0.556 615 V N 0.540 120.501 119.914 0.079 0.000 2.307 615 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 615 V C 1.725 177.642 176.094 -0.295 0.000 1.045 615 V CA 1.740 63.908 62.300 -0.219 0.000 1.024 615 V CB -0.476 31.074 31.823 -0.455 0.000 0.651 615 V HN 0.237 nan 8.190 nan 0.000 0.449 616 F N 0.594 120.460 119.950 -0.140 0.000 2.113 616 F HA 0.060 4.587 4.527 -0.000 0.000 0.297 616 F C 0.052 175.701 175.800 -0.252 0.000 1.103 616 F CA 1.776 59.657 58.000 -0.198 0.000 1.248 616 F CB -2.167 36.683 39.000 -0.250 0.000 0.999 616 F HN 0.289 nan 8.300 nan 0.000 0.475 617 P HA -0.134 nan 4.420 nan 0.000 0.216 617 P C 1.608 178.792 177.300 -0.194 0.000 1.150 617 P CA 2.153 64.999 63.100 -0.423 0.000 0.843 617 P CB -0.266 30.697 31.700 -1.229 0.000 0.787 618 T N -0.015 114.490 114.554 -0.082 0.000 2.674 618 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 618 T C 1.682 176.358 174.700 -0.041 0.000 1.039 618 T CA 1.073 63.176 62.100 0.005 0.000 1.150 618 T CB -1.027 67.849 68.868 0.014 0.000 0.864 618 T HN -0.001 nan 8.240 nan 0.000 0.427 619 L N 1.498 122.663 121.223 -0.096 0.000 2.013 619 L HA -0.051 4.288 4.340 -0.000 0.000 0.212 619 L C 2.603 179.464 176.870 -0.015 0.000 1.073 619 L CA 2.092 56.881 54.840 -0.086 0.000 0.753 619 L CB -1.170 40.825 42.059 -0.108 0.000 0.890 619 L HN 0.245 nan 8.230 nan 0.000 0.432 620 A N -0.628 122.194 122.820 0.002 0.000 1.858 620 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 620 A C 2.272 179.864 177.584 0.012 0.000 1.190 620 A CA 1.985 54.025 52.037 0.006 0.000 0.617 620 A CB -1.027 17.954 19.000 -0.033 0.000 0.827 620 A HN 0.488 nan 8.150 nan 0.000 0.443 621 L N -0.552 120.671 121.223 0.000 0.000 2.187 621 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 621 L C 2.715 179.631 176.870 0.077 0.000 1.100 621 L CA 0.946 55.806 54.840 0.034 0.000 0.765 621 L CB -0.665 41.449 42.059 0.091 0.000 0.904 621 L HN 0.539 nan 8.230 nan 0.000 0.437 622 G N -0.604 108.228 108.800 0.053 0.000 2.394 622 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 622 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 622 G C 1.701 176.621 174.900 0.034 0.000 1.165 622 G CA 0.036 45.162 45.100 0.043 0.000 0.784 622 G HN 0.165 nan 8.290 nan 0.000 0.535 623 R N -0.677 119.843 120.500 0.033 0.000 2.120 623 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 623 R C 2.155 178.475 176.300 0.033 0.000 1.123 623 R CA 1.029 57.149 56.100 0.033 0.000 0.975 623 R CB -0.720 29.605 30.300 0.042 0.000 0.866 623 R HN 0.549 nan 8.270 nan 0.000 0.446 624 Y N 1.929 122.166 120.300 -0.105 0.000 2.163 624 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 624 Y C 2.527 178.297 175.900 -0.215 0.000 1.136 624 Y CA 1.481 59.471 58.100 -0.184 0.000 1.147 624 Y CB -0.104 38.186 38.460 -0.284 0.000 0.987 624 Y HN -0.178 nan 8.280 nan 0.000 0.509 625 K N 0.312 120.643 120.400 -0.116 0.000 2.063 625 K HA -0.275 4.045 4.320 -0.000 0.000 0.208 625 K C 1.957 178.529 176.600 -0.048 0.000 1.048 625 K CA 2.248 58.510 56.287 -0.041 0.000 0.928 625 K CB -0.207 32.394 32.500 0.168 0.000 0.713 625 K HN 0.528 nan 8.250 nan 0.000 0.442 626 Q N -0.736 119.041 119.800 -0.038 0.000 2.172 626 Q HA -0.035 4.305 4.340 -0.000 0.000 0.200 626 Q C 1.916 177.878 176.000 -0.062 0.000 0.964 626 Q CA 1.175 56.960 55.803 -0.029 0.000 0.855 626 Q CB -0.001 28.732 28.738 -0.009 0.000 0.918 626 Q HN 0.361 nan 8.270 nan 0.000 0.444 627 A N 0.469 123.222 122.820 -0.112 0.000 2.066 627 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 627 A C 0.943 178.431 177.584 -0.160 0.000 1.157 627 A CA 0.518 52.479 52.037 -0.128 0.000 0.670 627 A CB -0.061 18.851 19.000 -0.147 0.000 0.804 627 A HN 0.231 nan 8.150 nan 0.000 0.453 628 I N 0.369 120.812 120.570 -0.212 0.000 2.304 628 I HA 0.611 4.781 4.170 -0.000 0.000 0.291 628 I C 0.372 176.446 176.117 -0.072 0.000 1.018 628 I CA 0.388 61.585 61.300 -0.171 0.000 1.260 628 I CB 1.100 38.947 38.000 -0.255 0.000 1.390 628 I HN 0.440 nan 8.210 nan 0.000 0.475 629 E N 0.000 120.173 120.200 -0.046 0.000 2.725 629 E HA 0.000 4.350 4.350 -0.000 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