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 1h35_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.521 177.584 -0.105 0.000 1.274 10 A CA 0.000 51.929 52.037 -0.179 0.000 0.836 10 A CB 0.000 18.903 19.000 -0.161 0.000 0.831 11 Y N 0.652 121.025 120.300 0.121 0.000 2.421 11 Y HA 0.374 4.924 4.550 0.001 0.000 0.292 11 Y C 2.370 178.345 175.900 0.125 0.000 1.136 11 Y CA 1.022 59.208 58.100 0.143 0.000 1.255 11 Y CB -1.465 37.120 38.460 0.208 0.000 0.991 11 Y HN 0.466 nan 8.280 nan 0.000 0.552 12 A N 1.948 124.847 122.820 0.132 0.000 1.869 12 A HA -0.302 4.018 4.320 0.001 0.000 0.218 12 A C 2.386 180.054 177.584 0.141 0.000 1.203 12 A CA 2.470 54.621 52.037 0.191 0.000 0.638 12 A CB -0.917 18.090 19.000 0.012 0.000 0.831 12 A HN 0.524 nan 8.150 nan 0.000 0.450 13 R N -1.109 119.431 120.500 0.068 0.000 2.117 13 R HA -0.125 4.216 4.340 0.001 0.000 0.243 13 R C 2.300 178.640 176.300 0.067 0.000 1.143 13 R CA 1.846 57.975 56.100 0.049 0.000 0.968 13 R CB -0.800 29.511 30.300 0.017 0.000 0.863 13 R HN 0.648 nan 8.270 nan 0.000 0.444 14 T N 1.493 116.118 114.554 0.117 0.000 2.674 14 T HA -0.133 4.218 4.350 0.001 0.000 0.265 14 T C 1.905 176.694 174.700 0.149 0.000 1.039 14 T CA 1.027 63.205 62.100 0.129 0.000 1.150 14 T CB -0.232 68.782 68.868 0.244 0.000 0.864 14 T HN 0.131 nan 8.240 nan 0.000 0.427 15 L N 1.063 122.412 121.223 0.210 0.000 1.990 15 L HA -0.188 4.153 4.340 0.001 0.000 0.213 15 L C 2.639 179.586 176.870 0.127 0.000 1.072 15 L CA 1.558 56.512 54.840 0.190 0.000 0.755 15 L CB -0.639 41.539 42.059 0.199 0.000 0.889 15 L HN 0.271 nan 8.230 nan 0.000 0.432 16 D N -0.383 120.079 120.400 0.104 0.000 2.149 16 D HA -0.219 4.422 4.640 0.001 0.000 0.194 16 D C 2.280 178.612 176.300 0.055 0.000 1.001 16 D CA 1.389 55.432 54.000 0.072 0.000 0.849 16 D CB -0.129 40.705 40.800 0.057 0.000 0.939 16 D HN 0.364 nan 8.370 nan 0.000 0.449 17 R N 0.490 121.009 120.500 0.032 0.000 2.090 17 R HA 0.037 4.378 4.340 0.001 0.000 0.228 17 R C 2.383 178.693 176.300 0.017 0.000 1.110 17 R CA 0.933 57.030 56.100 -0.005 0.000 0.973 17 R CB -0.171 30.082 30.300 -0.077 0.000 0.869 17 R HN 0.077 nan 8.270 nan 0.000 0.440 18 A N 0.830 123.673 122.820 0.039 0.000 1.902 18 A HA -0.110 4.211 4.320 0.001 0.000 0.217 18 A C 2.336 180.019 177.584 0.166 0.000 1.181 18 A CA 1.333 53.447 52.037 0.128 0.000 0.623 18 A CB -0.535 18.630 19.000 0.275 0.000 0.818 18 A HN 0.084 nan 8.150 nan 0.000 0.443 19 V N 1.280 121.261 119.914 0.111 0.000 2.223 19 V HA -0.327 3.794 4.120 0.001 0.000 0.244 19 V C 2.573 178.708 176.094 0.068 0.000 1.045 19 V CA 2.413 64.754 62.300 0.069 0.000 1.000 19 V CB -1.235 30.619 31.823 0.052 0.000 0.635 19 V HN 0.917 nan 8.190 nan 0.000 0.445 20 E N -0.280 119.963 120.200 0.071 0.000 2.219 20 E HA -0.329 4.022 4.350 0.001 0.000 0.198 20 E C 2.129 178.773 176.600 0.073 0.000 0.998 20 E CA 2.140 58.577 56.400 0.061 0.000 0.818 20 E CB -0.597 29.135 29.700 0.054 0.000 0.741 20 E HN 0.718 nan 8.360 nan 0.000 0.477 21 Y N 1.532 121.816 120.300 -0.026 0.000 2.153 21 Y HA -0.040 4.510 4.550 0.001 0.000 0.289 21 Y C 2.045 177.933 175.900 -0.019 0.000 1.127 21 Y CA 1.298 59.366 58.100 -0.053 0.000 1.131 21 Y CB -0.313 38.087 38.460 -0.101 0.000 0.995 21 Y HN -0.034 nan 8.280 nan 0.000 0.505 22 L N -0.269 120.909 121.223 -0.075 0.000 2.013 22 L HA -0.306 4.034 4.340 0.001 0.000 0.212 22 L C 2.499 179.448 176.870 0.130 0.000 1.073 22 L CA 1.698 56.488 54.840 -0.084 0.000 0.753 22 L CB -0.792 41.212 42.059 -0.091 0.000 0.890 22 L HN 0.307 nan 8.230 nan 0.000 0.432 23 L N -0.478 120.802 121.223 0.095 0.000 2.127 23 L HA -0.215 4.126 4.340 0.001 0.000 0.211 23 L C 2.757 179.599 176.870 -0.047 0.000 1.089 23 L CA 1.510 56.406 54.840 0.093 0.000 0.757 23 L CB -0.612 41.464 42.059 0.029 0.000 0.899 23 L HN 0.431 nan 8.230 nan 0.000 0.434 24 S N -2.005 113.627 115.700 -0.114 0.000 2.461 24 S HA -0.114 4.357 4.470 0.001 0.000 0.228 24 S C 1.873 176.334 174.600 -0.232 0.000 1.005 24 S CA 0.632 58.731 58.200 -0.168 0.000 0.942 24 S CB -0.619 62.489 63.200 -0.153 0.000 0.776 24 S HN 0.433 nan 8.310 nan 0.000 0.514 25 C N 1.334 120.483 119.300 -0.252 0.000 2.495 25 C HA 0.264 4.724 4.460 0.001 0.000 0.275 25 C C 1.420 176.233 174.990 -0.295 0.000 1.392 25 C CA -0.521 58.364 59.018 -0.222 0.000 1.766 25 C CB -1.415 26.220 27.740 -0.176 0.000 1.933 25 C HN 0.732 nan 8.230 nan 0.000 0.519 26 Q N 1.900 121.399 119.800 -0.501 0.000 2.286 26 Q HA 0.059 4.399 4.340 0.001 0.000 0.290 26 Q C -0.126 175.405 176.000 -0.782 0.000 1.049 26 Q CA 0.591 55.682 55.803 -1.186 0.000 0.923 26 Q CB 0.586 28.505 28.738 -1.365 0.000 1.183 26 Q HN 0.322 nan 8.270 nan 0.000 0.383 27 K N 2.763 122.632 120.400 -0.886 0.000 2.132 27 K HA 0.024 4.344 4.320 0.001 0.000 0.240 27 K C 0.274 176.488 176.600 -0.643 0.000 1.036 27 K CA 0.173 56.022 56.287 -0.730 0.000 0.888 27 K CB 0.406 32.293 32.500 -1.022 0.000 1.071 27 K HN 0.621 nan 8.250 nan 0.000 0.502 28 D N 0.652 120.777 120.400 -0.458 0.000 2.084 28 D HA -0.123 4.518 4.640 0.001 0.000 0.196 28 D C 1.179 177.288 176.300 -0.318 0.000 0.985 28 D CA 1.283 55.091 54.000 -0.321 0.000 0.826 28 D CB -0.004 40.673 40.800 -0.205 0.000 0.978 28 D HN 0.488 nan 8.370 nan 0.000 0.456 29 E N -0.363 119.638 120.200 -0.332 0.000 2.273 29 E HA 0.006 4.357 4.350 0.001 0.000 0.198 29 E C 1.490 177.928 176.600 -0.270 0.000 1.002 29 E CA 1.257 57.550 56.400 -0.179 0.000 0.828 29 E CB -0.315 29.405 29.700 0.033 0.000 0.747 29 E HN 0.384 nan 8.360 nan 0.000 0.491 30 G N -1.061 107.411 108.800 -0.547 0.000 2.154 30 G HA2 -0.225 3.735 3.960 0.001 0.000 0.186 30 G HA3 -0.225 3.735 3.960 0.001 0.000 0.186 30 G C -0.280 174.181 174.900 -0.733 0.000 1.000 30 G CA -0.073 44.705 45.100 -0.537 0.000 0.664 30 G HN 0.304 nan 8.290 nan 0.000 0.513 31 Y N -1.596 118.138 120.300 -0.943 0.000 2.598 31 Y HA 0.866 5.416 4.550 0.001 0.000 0.340 31 Y C -0.132 175.349 175.900 -0.698 0.000 1.038 31 Y CA -3.131 54.391 58.100 -0.964 0.000 1.100 31 Y CB 1.110 38.503 38.460 -1.778 0.000 1.281 31 Y HN 0.083 nan 8.280 nan 0.000 0.488 32 W N 1.720 122.966 121.300 -0.089 0.000 2.570 32 W HA 0.351 5.012 4.660 0.001 0.000 0.337 32 W C -1.591 175.077 176.519 0.250 0.000 1.067 32 W CA -0.768 56.573 57.345 -0.007 0.000 1.229 32 W CB 1.987 31.411 29.460 -0.060 0.000 1.355 32 W HN 0.791 nan 8.180 nan 0.000 0.555 33 W N 2.683 124.104 121.300 0.202 0.000 2.725 33 W HA 0.447 5.107 4.660 0.001 0.000 0.305 33 W C -0.894 175.660 176.519 0.058 0.000 1.045 33 W CA -1.385 56.028 57.345 0.112 0.000 1.202 33 W CB 0.427 29.992 29.460 0.176 0.000 1.083 33 W HN 0.364 nan 8.180 nan 0.000 0.343 34 G N 4.744 113.638 108.800 0.156 0.000 2.367 34 G HA2 0.616 4.576 3.960 0.001 0.000 0.314 34 G HA3 0.616 4.576 3.960 0.001 0.000 0.314 34 G C -2.698 172.087 174.900 -0.192 0.000 1.130 34 G CA -1.361 43.719 45.100 -0.033 0.000 0.864 34 G HN 0.122 nan 8.290 nan 0.000 0.486 35 P HA 0.130 nan 4.420 nan 0.000 0.268 35 P C -0.511 176.661 177.300 -0.213 0.000 1.208 35 P CA -0.377 62.532 63.100 -0.318 0.000 0.777 35 P CB 0.794 32.317 31.700 -0.296 0.000 0.875 36 L N 3.339 124.436 121.223 -0.211 0.000 2.313 36 L HA 0.378 4.718 4.340 0.001 0.000 0.283 36 L C -1.239 175.501 176.870 -0.216 0.000 1.013 36 L CA -0.403 54.281 54.840 -0.260 0.000 0.816 36 L CB 0.603 42.535 42.059 -0.212 0.000 1.236 36 L HN 0.093 nan 8.230 nan 0.000 0.419 37 L N 4.237 125.297 121.223 -0.272 0.000 2.322 37 L HA 0.674 5.014 4.340 0.001 0.000 0.279 37 L C 0.673 177.376 176.870 -0.278 0.000 1.036 37 L CA 0.032 54.765 54.840 -0.178 0.000 0.807 37 L CB 1.021 43.054 42.059 -0.043 0.000 1.226 37 L HN 0.925 nan 8.230 nan 0.000 0.433 38 S N 2.169 117.852 115.700 -0.028 0.000 3.881 38 S HA 0.583 5.054 4.470 0.001 0.000 0.189 38 S C -0.317 174.399 174.600 0.195 0.000 1.135 38 S CA -0.327 57.836 58.200 -0.061 0.000 1.435 38 S CB 1.268 64.434 63.200 -0.057 0.000 1.506 38 S HN 0.658 nan 8.310 nan 0.000 0.814 39 N N -0.436 118.376 118.700 0.187 0.000 2.610 39 N HA 0.430 5.171 4.740 0.001 0.000 0.264 39 N C 0.395 176.018 175.510 0.187 0.000 1.348 39 N CA -0.438 52.742 53.050 0.216 0.000 0.819 39 N CB 1.375 39.995 38.487 0.222 0.000 1.521 39 N HN 0.766 nan 8.380 nan 0.000 0.497 40 V N -2.889 117.095 119.914 0.117 0.000 3.140 40 V HA -0.182 3.939 4.120 0.001 0.000 0.269 40 V C 1.685 177.758 176.094 -0.035 0.000 1.149 40 V CA 1.940 64.269 62.300 0.049 0.000 1.162 40 V CB -2.051 29.618 31.823 -0.257 0.000 0.756 40 V HN 0.923 nan 8.190 nan 0.000 0.523 41 T N -2.975 111.562 114.554 -0.029 0.000 2.915 41 T HA -0.131 4.219 4.350 0.001 0.000 0.269 41 T C 1.802 176.392 174.700 -0.182 0.000 1.071 41 T CA 1.564 63.590 62.100 -0.123 0.000 1.132 41 T CB -0.352 68.464 68.868 -0.087 0.000 0.878 41 T HN 0.377 nan 8.240 nan 0.000 0.479 42 M N 1.512 121.062 119.600 -0.082 0.000 2.066 42 M HA 0.004 4.484 4.480 0.001 0.000 0.259 42 M C 2.330 178.555 176.300 -0.125 0.000 1.074 42 M CA 1.808 57.017 55.300 -0.151 0.000 1.114 42 M CB -1.255 31.358 32.600 0.021 0.000 1.306 42 M HN 0.266 nan 8.290 nan 0.000 0.411 43 E N 0.918 121.121 120.200 0.006 0.000 2.085 43 E HA -0.090 4.260 4.350 0.001 0.000 0.194 43 E C 2.117 178.762 176.600 0.076 0.000 0.994 43 E CA 1.653 58.114 56.400 0.102 0.000 0.801 43 E CB -0.626 29.170 29.700 0.160 0.000 0.743 43 E HN 0.532 nan 8.360 nan 0.000 0.453 44 A N 1.028 123.814 122.820 -0.057 0.000 1.883 44 A HA -0.270 4.050 4.320 0.001 0.000 0.217 44 A C 2.030 179.445 177.584 -0.282 0.000 1.186 44 A CA 1.864 53.805 52.037 -0.159 0.000 0.624 44 A CB -0.576 18.281 19.000 -0.238 0.000 0.822 44 A HN 0.237 nan 8.150 nan 0.000 0.444 45 E N -1.925 118.001 120.200 -0.456 0.000 2.150 45 E HA -0.174 4.176 4.350 0.001 0.000 0.193 45 E C 1.783 178.156 176.600 -0.378 0.000 0.985 45 E CA 1.202 57.083 56.400 -0.865 0.000 0.814 45 E CB -0.275 28.727 29.700 -1.163 0.000 0.752 45 E HN 0.800 nan 8.360 nan 0.000 0.466 46 Y N 0.926 121.148 120.300 -0.131 0.000 2.181 46 Y HA -0.253 4.297 4.550 0.001 0.000 0.288 46 Y C 2.038 177.896 175.900 -0.070 0.000 1.146 46 Y CA 1.168 59.297 58.100 0.049 0.000 1.164 46 Y CB -0.202 38.297 38.460 0.064 0.000 0.982 46 Y HN -0.177 nan 8.280 nan 0.000 0.515 47 V N 0.700 120.646 119.914 0.054 0.000 2.287 47 V HA -0.355 3.766 4.120 0.001 0.000 0.248 47 V C 2.477 178.422 176.094 -0.248 0.000 1.053 47 V CA 2.173 64.436 62.300 -0.062 0.000 1.027 47 V CB -0.841 30.956 31.823 -0.042 0.000 0.646 47 V HN 0.468 nan 8.190 nan 0.000 0.447 48 L N -0.893 120.177 121.223 -0.254 0.000 2.046 48 L HA -0.177 4.163 4.340 0.001 0.000 0.208 48 L C 2.487 179.363 176.870 0.010 0.000 1.077 48 L CA 1.269 56.021 54.840 -0.146 0.000 0.747 48 L CB -0.634 41.386 42.059 -0.065 0.000 0.896 48 L HN 0.354 nan 8.230 nan 0.000 0.432 49 L N -0.209 121.011 121.223 -0.004 0.000 2.013 49 L HA -0.263 4.077 4.340 0.001 0.000 0.212 49 L C 2.586 179.339 176.870 -0.195 0.000 1.073 49 L CA 1.890 56.716 54.840 -0.023 0.000 0.753 49 L CB -0.792 41.138 42.059 -0.215 0.000 0.890 49 L HN 0.256 nan 8.230 nan 0.000 0.432 50 C N -0.644 118.479 119.300 -0.296 0.000 2.413 50 C HA -0.212 4.248 4.460 0.001 0.000 0.276 50 C C 2.722 177.626 174.990 -0.144 0.000 1.236 50 C CA 1.110 59.994 59.018 -0.224 0.000 1.735 50 C CB -1.467 26.145 27.740 -0.213 0.000 2.031 50 C HN 0.836 nan 8.230 nan 0.000 0.474 51 H N 1.071 120.016 119.070 -0.208 0.000 2.319 51 H HA -0.104 4.452 4.556 0.001 0.000 0.299 51 H C 1.935 177.176 175.328 -0.145 0.000 1.092 51 H CA 1.980 57.946 56.048 -0.137 0.000 1.302 51 H CB -0.313 29.278 29.762 -0.286 0.000 1.373 51 H HN 0.274 nan 8.280 nan 0.000 0.497 52 I N 0.635 120.952 120.570 -0.421 0.000 2.127 52 I HA -0.245 3.925 4.170 0.001 0.000 0.241 52 I C 2.258 177.967 176.117 -0.680 0.000 1.075 52 I CA 1.236 62.109 61.300 -0.712 0.000 1.334 52 I CB -1.208 36.480 38.000 -0.519 0.000 1.040 52 I HN 0.352 nan 8.210 nan 0.000 0.405 53 L N 0.340 121.304 121.223 -0.432 0.000 2.610 53 L HA -0.062 4.278 4.340 0.001 0.000 0.232 53 L C 0.289 176.963 176.870 -0.326 0.000 1.149 53 L CA 0.270 54.896 54.840 -0.357 0.000 0.872 53 L CB -0.821 41.029 42.059 -0.348 0.000 0.992 53 L HN 0.312 nan 8.230 nan 0.000 0.447 54 D N 1.639 121.861 120.400 -0.297 0.000 2.689 54 D HA -0.226 4.415 4.640 0.001 0.000 0.237 54 D C 0.193 176.400 176.300 -0.155 0.000 1.148 54 D CA 0.656 54.546 54.000 -0.184 0.000 0.656 54 D CB -0.320 40.388 40.800 -0.153 0.000 1.050 54 D HN 0.362 nan 8.370 nan 0.000 0.426 55 R N 0.116 120.518 120.500 -0.164 0.000 2.653 55 R HA 0.316 4.657 4.340 0.001 0.000 0.269 55 R C -0.835 175.469 176.300 0.006 0.000 1.603 55 R CA -0.670 55.354 56.100 -0.126 0.000 1.671 55 R CB 1.253 31.342 30.300 -0.351 0.000 1.300 55 R HN -0.020 nan 8.270 nan 0.000 0.668 56 V N 1.249 121.188 119.914 0.043 0.000 2.406 56 V HA 0.116 4.236 4.120 0.001 0.000 0.272 56 V C -0.004 176.139 176.094 0.081 0.000 1.043 56 V CA -0.475 61.880 62.300 0.091 0.000 0.915 56 V CB 1.524 33.444 31.823 0.161 0.000 0.988 56 V HN 0.343 nan 8.190 nan 0.000 0.466 57 D N 4.591 125.038 120.400 0.077 0.000 2.454 57 D HA 0.287 4.928 4.640 0.001 0.000 0.225 57 D C 1.321 177.644 176.300 0.038 0.000 1.081 57 D CA -0.536 53.495 54.000 0.050 0.000 0.864 57 D CB 0.777 41.597 40.800 0.033 0.000 1.040 57 D HN 0.232 nan 8.370 nan 0.000 0.517 58 R N 2.498 123.023 120.500 0.040 0.000 2.159 58 R HA -0.206 4.134 4.340 0.001 0.000 0.249 58 R C 1.346 177.661 176.300 0.025 0.000 1.136 58 R CA 1.461 57.583 56.100 0.036 0.000 0.951 58 R CB -0.574 29.743 30.300 0.028 0.000 0.876 58 R HN 0.665 nan 8.270 nan 0.000 0.440 59 D N 0.120 120.526 120.400 0.010 0.000 2.123 59 D HA -0.192 4.449 4.640 0.001 0.000 0.196 59 D C 1.922 178.207 176.300 -0.025 0.000 0.992 59 D CA 1.139 55.138 54.000 -0.001 0.000 0.833 59 D CB 0.095 40.889 40.800 -0.009 0.000 0.954 59 D HN 0.003 nan 8.370 nan 0.000 0.455 60 R N -0.023 120.439 120.500 -0.064 0.000 2.075 60 R HA -0.042 4.299 4.340 0.001 0.000 0.232 60 R C 2.387 178.649 176.300 -0.063 0.000 1.126 60 R CA 1.053 57.058 56.100 -0.159 0.000 0.963 60 R CB -0.579 29.574 30.300 -0.246 0.000 0.858 60 R HN 0.149 nan 8.270 nan 0.000 0.435 61 M N 0.840 120.450 119.600 0.018 0.000 2.149 61 M HA -0.146 4.335 4.480 0.001 0.000 0.261 61 M C 1.765 178.121 176.300 0.093 0.000 1.064 61 M CA 1.562 56.912 55.300 0.083 0.000 1.102 61 M CB -0.900 31.764 32.600 0.106 0.000 1.369 61 M HN 0.132 nan 8.290 nan 0.000 0.408 62 E N 0.757 120.999 120.200 0.070 0.000 2.031 62 E HA -0.160 4.190 4.350 0.001 0.000 0.193 62 E C 2.024 178.696 176.600 0.120 0.000 0.994 62 E CA 1.267 57.719 56.400 0.087 0.000 0.800 62 E CB -0.336 29.402 29.700 0.064 0.000 0.752 62 E HN 0.527 nan 8.360 nan 0.000 0.447 63 K N 0.365 120.825 120.400 0.100 0.000 2.103 63 K HA -0.081 4.240 4.320 0.001 0.000 0.207 63 K C 2.272 179.014 176.600 0.238 0.000 1.048 63 K CA 1.002 57.378 56.287 0.148 0.000 0.930 63 K CB -0.184 32.383 32.500 0.112 0.000 0.716 63 K HN 0.144 nan 8.250 nan 0.000 0.444 64 I N 0.401 121.106 120.570 0.224 0.000 2.546 64 I HA -0.217 3.953 4.170 0.001 0.000 0.255 64 I C 2.610 178.915 176.117 0.314 0.000 1.163 64 I CA 0.806 62.288 61.300 0.305 0.000 1.457 64 I CB -0.166 37.987 38.000 0.256 0.000 1.092 64 I HN 0.171 nan 8.210 nan 0.000 0.434 65 R N 1.263 121.906 120.500 0.238 0.000 2.062 65 R HA -0.091 4.249 4.340 0.001 0.000 0.229 65 R C 2.519 178.975 176.300 0.259 0.000 1.128 65 R CA 1.078 57.307 56.100 0.215 0.000 0.960 65 R CB -0.030 30.365 30.300 0.158 0.000 0.855 65 R HN 0.220 nan 8.270 nan 0.000 0.432 66 R N -0.612 120.055 120.500 0.279 0.000 2.096 66 R HA -0.246 4.094 4.340 0.001 0.000 0.240 66 R C 2.289 178.857 176.300 0.447 0.000 1.139 66 R CA 2.054 58.354 56.100 0.332 0.000 0.952 66 R CB -0.860 29.665 30.300 0.376 0.000 0.854 66 R HN 0.333 nan 8.270 nan 0.000 0.436 67 Y N 1.936 122.457 120.300 0.368 0.000 2.070 67 Y HA -0.238 4.312 4.550 0.001 0.000 0.280 67 Y C 2.136 178.231 175.900 0.326 0.000 1.148 67 Y CA 1.582 59.907 58.100 0.373 0.000 1.125 67 Y CB -0.581 38.021 38.460 0.236 0.000 0.975 67 Y HN -0.070 nan 8.280 nan 0.000 0.492 68 L N -0.632 120.716 121.223 0.208 0.000 1.997 68 L HA -0.319 4.021 4.340 0.001 0.000 0.216 68 L C 2.515 179.590 176.870 0.342 0.000 1.074 68 L CA 1.281 56.196 54.840 0.125 0.000 0.763 68 L CB -0.920 41.222 42.059 0.139 0.000 0.890 68 L HN 0.322 nan 8.230 nan 0.000 0.434 69 L N -0.769 120.628 121.223 0.291 0.000 1.989 69 L HA -0.286 4.055 4.340 0.001 0.000 0.211 69 L C 2.665 179.600 176.870 0.109 0.000 1.071 69 L CA 1.935 56.908 54.840 0.221 0.000 0.749 69 L CB -1.864 40.283 42.059 0.146 0.000 0.890 69 L HN 0.451 nan 8.230 nan 0.000 0.431 70 H N 0.758 119.821 119.070 -0.012 0.000 2.321 70 H HA -0.193 4.363 4.556 0.001 0.000 0.295 70 H C 1.800 177.041 175.328 -0.145 0.000 1.102 70 H CA 1.834 57.792 56.048 -0.151 0.000 1.266 70 H CB 0.360 29.949 29.762 -0.287 0.000 1.363 70 H HN 0.321 nan 8.280 nan 0.000 0.492 71 E N 0.941 121.217 120.200 0.126 0.000 2.347 71 E HA -0.082 4.269 4.350 0.001 0.000 0.196 71 E C 0.944 177.537 176.600 -0.011 0.000 1.008 71 E CA 0.099 56.559 56.400 0.099 0.000 0.852 71 E CB -0.141 29.560 29.700 0.002 0.000 0.783 71 E HN 0.616 nan 8.360 nan 0.000 0.505 72 Q N 1.232 120.929 119.800 -0.170 0.000 2.352 72 Q HA 0.108 4.448 4.340 0.001 0.000 0.260 72 Q C -0.410 175.262 176.000 -0.548 0.000 0.976 72 Q CA -0.075 55.207 55.803 -0.868 0.000 0.881 72 Q CB 0.627 28.857 28.738 -0.847 0.000 1.235 72 Q HN -0.136 nan 8.270 nan 0.000 0.419 73 R N 1.654 121.806 120.500 -0.581 0.000 2.549 73 R HA 0.145 4.486 4.340 0.001 0.000 0.259 73 R C 1.162 177.262 176.300 -0.333 0.000 1.095 73 R CA -0.491 55.381 56.100 -0.379 0.000 1.148 73 R CB 0.349 30.450 30.300 -0.331 0.000 1.181 73 R HN 0.694 nan 8.270 nan 0.000 0.571 74 E N 1.077 121.129 120.200 -0.247 0.000 2.086 74 E HA -0.262 4.089 4.350 0.001 0.000 0.200 74 E C 1.062 177.542 176.600 -0.199 0.000 1.012 74 E CA 2.280 58.562 56.400 -0.197 0.000 0.812 74 E CB -0.152 29.457 29.700 -0.152 0.000 0.743 74 E HN 0.676 nan 8.360 nan 0.000 0.453 75 D N -0.923 119.345 120.400 -0.219 0.000 2.351 75 D HA -0.059 4.581 4.640 0.001 0.000 0.216 75 D C 1.225 177.381 176.300 -0.240 0.000 0.968 75 D CA 1.037 54.911 54.000 -0.210 0.000 0.899 75 D CB -0.268 40.388 40.800 -0.240 0.000 0.907 75 D HN 0.300 nan 8.370 nan 0.000 0.514 76 G N -0.488 108.119 108.800 -0.323 0.000 2.132 76 G HA2 -0.218 3.743 3.960 0.001 0.000 0.228 76 G HA3 -0.218 3.743 3.960 0.001 0.000 0.228 76 G C 0.362 174.941 174.900 -0.535 0.000 1.000 76 G CA 0.539 45.411 45.100 -0.379 0.000 0.693 76 G HN 0.861 nan 8.290 nan 0.000 0.515 77 T N -3.336 110.855 114.554 -0.604 0.000 2.905 77 T HA 0.788 5.138 4.350 0.001 0.000 0.283 77 T C -0.454 173.874 174.700 -0.620 0.000 1.031 77 T CA -0.961 60.822 62.100 -0.529 0.000 1.002 77 T CB 2.338 70.856 68.868 -0.584 0.000 1.200 77 T HN 0.533 nan 8.240 nan 0.000 0.560 78 W N -0.112 121.122 121.300 -0.110 0.000 2.915 78 W HA 0.694 5.354 4.660 0.001 0.000 0.337 78 W C -0.234 176.240 176.519 -0.076 0.000 1.102 78 W CA -1.153 56.145 57.345 -0.079 0.000 1.224 78 W CB 2.345 31.794 29.460 -0.019 0.000 1.416 78 W HN 1.092 nan 8.180 nan 0.000 0.503 79 A N 1.854 124.737 122.820 0.105 0.000 2.344 79 A HA 0.671 4.992 4.320 0.001 0.000 0.307 79 A C 0.453 178.094 177.584 0.096 0.000 1.151 79 A CA -0.561 51.483 52.037 0.012 0.000 0.842 79 A CB 1.247 20.117 19.000 -0.217 0.000 1.350 79 A HN 0.702 nan 8.150 nan 0.000 0.459 80 L N -0.914 120.404 121.223 0.158 0.000 2.179 80 L HA 0.071 4.412 4.340 0.001 0.000 0.208 80 L C 0.266 177.368 176.870 0.386 0.000 1.096 80 L CA 0.988 56.046 54.840 0.363 0.000 0.779 80 L CB -0.515 41.905 42.059 0.601 0.000 0.922 80 L HN 0.791 nan 8.230 nan 0.000 0.443 81 Y N -2.573 117.729 120.300 0.002 0.000 2.605 81 Y HA 0.642 5.192 4.550 0.001 0.000 0.343 81 Y C -2.829 172.866 175.900 -0.342 0.000 1.036 81 Y CA -4.234 53.682 58.100 -0.306 0.000 1.065 81 Y CB -0.619 37.702 38.460 -0.231 0.000 1.288 81 Y HN -0.247 nan 8.280 nan 0.000 0.481 82 P HA 0.186 nan 4.420 nan 0.000 0.267 82 P C 0.585 177.805 177.300 -0.133 0.000 1.209 82 P CA 1.299 64.232 63.100 -0.279 0.000 0.763 82 P CB 0.951 32.478 31.700 -0.290 0.000 0.816 83 G N 2.057 110.754 108.800 -0.172 0.000 2.160 83 G HA2 -0.124 3.836 3.960 0.001 0.000 0.244 83 G HA3 -0.124 3.836 3.960 0.001 0.000 0.244 83 G C 0.396 175.125 174.900 -0.285 0.000 1.022 83 G CA -0.187 44.845 45.100 -0.114 0.000 0.741 83 G HN 0.911 nan 8.290 nan 0.000 0.508 84 G N -0.320 108.126 108.800 -0.590 0.000 2.471 84 G HA2 0.827 4.787 3.960 0.001 0.000 0.332 84 G HA3 0.827 4.787 3.960 0.001 0.000 0.332 84 G C -1.796 172.822 174.900 -0.470 0.000 1.176 84 G CA -0.905 43.629 45.100 -0.943 0.000 0.949 84 G HN 0.238 nan 8.290 nan 0.000 0.488 85 P HA 0.183 nan 4.420 nan 0.000 0.269 85 P C -2.523 174.700 177.300 -0.129 0.000 1.215 85 P CA -0.912 62.107 63.100 -0.136 0.000 0.780 85 P CB 0.545 32.241 31.700 -0.007 0.000 0.898 86 P HA 0.023 nan 4.420 nan 0.000 0.268 86 P C -0.457 176.888 177.300 0.075 0.000 1.204 86 P CA 0.508 63.461 63.100 -0.245 0.000 0.768 86 P CB 0.671 31.867 31.700 -0.840 0.000 0.842 87 D N 2.718 123.226 120.400 0.181 0.000 2.308 87 D HA 0.089 4.729 4.640 0.001 0.000 0.242 87 D C 0.910 177.465 176.300 0.424 0.000 1.059 87 D CA -0.624 53.559 54.000 0.304 0.000 0.830 87 D CB 1.681 42.638 40.800 0.260 0.000 1.161 87 D HN 0.054 nan 8.370 nan 0.000 0.494 88 L N 4.806 126.253 121.223 0.373 0.000 1.961 88 L HA -0.127 4.213 4.340 0.001 0.000 0.210 88 L C 1.588 178.561 176.870 0.170 0.000 1.072 88 L CA 1.863 56.845 54.840 0.236 0.000 0.749 88 L CB -0.518 41.564 42.059 0.038 0.000 0.889 88 L HN 0.463 nan 8.230 nan 0.000 0.432 89 D N -0.813 119.662 120.400 0.125 0.000 2.160 89 D HA -0.244 4.396 4.640 0.001 0.000 0.189 89 D C 1.926 178.269 176.300 0.071 0.000 1.003 89 D CA 2.408 56.450 54.000 0.070 0.000 0.846 89 D CB -0.670 40.165 40.800 0.059 0.000 0.949 89 D HN 0.427 nan 8.370 nan 0.000 0.446 90 T N 0.898 115.524 114.554 0.120 0.000 2.635 90 T HA -0.156 4.194 4.350 0.001 0.000 0.267 90 T C 2.135 176.876 174.700 0.068 0.000 1.040 90 T CA 2.219 64.372 62.100 0.088 0.000 1.156 90 T CB -0.754 68.217 68.868 0.172 0.000 0.863 90 T HN 0.187 nan 8.240 nan 0.000 0.430 91 T N 2.121 116.831 114.554 0.259 0.000 2.746 91 T HA 0.008 4.358 4.350 0.001 0.000 0.267 91 T C 2.004 176.851 174.700 0.244 0.000 1.039 91 T CA 0.958 63.316 62.100 0.429 0.000 1.142 91 T CB -0.466 68.767 68.868 0.610 0.000 0.866 91 T HN 0.336 nan 8.240 nan 0.000 0.444 92 I N 0.971 121.632 120.570 0.153 0.000 2.142 92 I HA -0.186 3.985 4.170 0.001 0.000 0.240 92 I C 2.683 178.842 176.117 0.071 0.000 1.078 92 I CA 1.536 62.895 61.300 0.099 0.000 1.343 92 I CB -0.449 37.561 38.000 0.017 0.000 1.046 92 I HN 0.315 nan 8.210 nan 0.000 0.405 93 E N 0.891 121.075 120.200 -0.025 0.000 2.118 93 E HA -0.224 4.127 4.350 0.001 0.000 0.195 93 E C 2.310 178.809 176.600 -0.169 0.000 0.992 93 E CA 1.324 57.660 56.400 -0.106 0.000 0.804 93 E CB -0.188 29.409 29.700 -0.172 0.000 0.741 93 E HN 0.528 nan 8.360 nan 0.000 0.458 94 A N 0.679 123.325 122.820 -0.290 0.000 1.930 94 A HA -0.206 4.115 4.320 0.001 0.000 0.217 94 A C 2.008 179.425 177.584 -0.278 0.000 1.175 94 A CA 1.260 52.967 52.037 -0.549 0.000 0.627 94 A CB -0.691 17.410 19.000 -1.499 0.000 0.815 94 A HN 0.392 nan 8.150 nan 0.000 0.443 95 Y N 0.868 121.075 120.300 -0.155 0.000 2.114 95 Y HA -0.201 4.349 4.550 0.001 0.000 0.284 95 Y C 2.342 178.255 175.900 0.021 0.000 1.143 95 Y CA 2.086 60.210 58.100 0.040 0.000 1.135 95 Y CB -0.439 38.089 38.460 0.113 0.000 0.980 95 Y HN 0.065 nan 8.280 nan 0.000 0.499 96 V N 0.714 120.634 119.914 0.010 0.000 2.332 96 V HA -0.345 3.776 4.120 0.001 0.000 0.248 96 V C 2.714 178.759 176.094 -0.082 0.000 1.055 96 V CA 1.801 64.070 62.300 -0.053 0.000 1.038 96 V CB -1.813 30.026 31.823 0.026 0.000 0.651 96 V HN 0.575 nan 8.190 nan 0.000 0.450 97 A N 0.084 122.851 122.820 -0.089 0.000 1.859 97 A HA -0.215 4.106 4.320 0.001 0.000 0.217 97 A C 2.258 179.842 177.584 -0.001 0.000 1.198 97 A CA 2.211 54.211 52.037 -0.062 0.000 0.629 97 A CB -0.698 18.242 19.000 -0.100 0.000 0.830 97 A HN 0.483 nan 8.150 nan 0.000 0.446 98 L N -0.766 120.427 121.223 -0.050 0.000 1.989 98 L HA -0.255 4.086 4.340 0.001 0.000 0.211 98 L C 2.693 179.534 176.870 -0.049 0.000 1.071 98 L CA 2.171 57.000 54.840 -0.018 0.000 0.749 98 L CB -0.484 41.574 42.059 -0.002 0.000 0.890 98 L HN 0.498 nan 8.230 nan 0.000 0.431 99 K N -0.794 119.501 120.400 -0.175 0.000 2.160 99 K HA -0.277 4.043 4.320 0.001 0.000 0.206 99 K C 2.196 178.763 176.600 -0.055 0.000 1.047 99 K CA 1.684 57.868 56.287 -0.170 0.000 0.930 99 K CB -0.230 32.085 32.500 -0.307 0.000 0.720 99 K HN 0.233 nan 8.250 nan 0.000 0.450 100 Y N 0.933 121.163 120.300 -0.116 0.000 2.220 100 Y HA -0.078 4.473 4.550 0.001 0.000 0.291 100 Y C 1.652 177.521 175.900 -0.053 0.000 1.129 100 Y CA 1.434 59.481 58.100 -0.088 0.000 1.161 100 Y CB -0.004 38.397 38.460 -0.098 0.000 0.997 100 Y HN -0.020 nan 8.280 nan 0.000 0.522 101 I N -0.682 119.979 120.570 0.152 0.000 2.286 101 I HA -0.197 3.973 4.170 0.001 0.000 0.248 101 I C 2.049 178.156 176.117 -0.017 0.000 1.115 101 I CA 1.839 63.196 61.300 0.095 0.000 1.392 101 I CB -0.475 37.599 38.000 0.124 0.000 1.065 101 I HN 0.523 nan 8.210 nan 0.000 0.418 102 G N -1.316 107.465 108.800 -0.033 0.000 3.655 102 G HA2 -0.018 3.942 3.960 0.001 0.000 0.219 102 G HA3 -0.018 3.942 3.960 0.001 0.000 0.219 102 G C 0.389 175.275 174.900 -0.024 0.000 0.933 102 G CA -0.620 44.456 45.100 -0.039 0.000 0.856 102 G HN -0.071 nan 8.290 nan 0.000 0.523 103 M N 2.729 122.321 119.600 -0.013 0.000 2.245 103 M HA 0.308 4.788 4.480 0.001 0.000 0.335 103 M C 0.921 177.208 176.300 -0.021 0.000 1.155 103 M CA 0.438 55.734 55.300 -0.006 0.000 1.055 103 M CB 0.476 33.075 32.600 -0.002 0.000 1.670 103 M HN 0.516 nan 8.290 nan 0.000 0.447 104 S N 2.672 118.376 115.700 0.005 0.000 2.525 104 S HA 0.445 4.915 4.470 0.001 0.000 0.290 104 S C 0.871 175.498 174.600 0.045 0.000 1.152 104 S CA -1.042 57.167 58.200 0.015 0.000 1.072 104 S CB 1.334 64.548 63.200 0.023 0.000 1.027 104 S HN 0.773 nan 8.310 nan 0.000 0.500 105 R N 1.132 121.673 120.500 0.068 0.000 2.355 105 R HA -0.107 4.234 4.340 0.001 0.000 0.219 105 R C 0.138 176.518 176.300 0.133 0.000 1.107 105 R CA 1.486 57.675 56.100 0.148 0.000 1.021 105 R CB -0.593 29.815 30.300 0.179 0.000 0.852 105 R HN 0.602 nan 8.270 nan 0.000 0.475 106 D N 1.511 121.963 120.400 0.087 0.000 2.144 106 D HA -0.056 4.584 4.640 0.001 0.000 0.207 106 D C 0.024 176.365 176.300 0.067 0.000 0.970 106 D CA 0.456 54.498 54.000 0.070 0.000 0.853 106 D CB -0.202 40.628 40.800 0.050 0.000 1.007 106 D HN 0.362 nan 8.370 nan 0.000 0.469 107 E N 1.721 121.958 120.200 0.062 0.000 2.829 107 E HA -0.151 4.200 4.350 0.001 0.000 0.264 107 E C 0.884 177.520 176.600 0.061 0.000 0.922 107 E CA 0.106 56.539 56.400 0.055 0.000 0.960 107 E CB 0.759 30.491 29.700 0.054 0.000 0.918 107 E HN 0.155 nan 8.360 nan 0.000 0.497 108 E N 4.381 124.605 120.200 0.039 0.000 2.132 108 E HA -0.257 4.094 4.350 0.001 0.000 0.218 108 E C -0.935 175.684 176.600 0.032 0.000 1.058 108 E CA 2.542 58.957 56.400 0.026 0.000 0.882 108 E CB -0.669 29.033 29.700 0.004 0.000 0.774 108 E HN 0.430 nan 8.360 nan 0.000 0.467 109 P HA -0.201 nan 4.420 nan 0.000 0.215 109 P C 1.343 178.717 177.300 0.123 0.000 1.157 109 P CA 1.899 65.023 63.100 0.039 0.000 0.874 109 P CB -0.058 31.678 31.700 0.060 0.000 0.790 110 M N -1.308 118.402 119.600 0.184 0.000 2.159 110 M HA -0.154 4.327 4.480 0.001 0.000 0.263 110 M C 2.048 178.507 176.300 0.265 0.000 1.063 110 M CA 1.679 57.177 55.300 0.329 0.000 1.110 110 M CB -1.704 31.064 32.600 0.280 0.000 1.374 110 M HN 0.035 nan 8.290 nan 0.000 0.411 111 Q N 0.791 120.678 119.800 0.146 0.000 2.020 111 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 111 Q C 2.090 178.124 176.000 0.056 0.000 0.982 111 Q CA 1.479 57.335 55.803 0.088 0.000 0.838 111 Q CB -0.343 28.430 28.738 0.058 0.000 0.899 111 Q HN 0.555 nan 8.270 nan 0.000 0.423 112 K N 0.233 120.656 120.400 0.038 0.000 2.026 112 K HA -0.093 4.227 4.320 0.001 0.000 0.208 112 K C 2.119 178.741 176.600 0.038 0.000 1.048 112 K CA 1.233 57.527 56.287 0.011 0.000 0.929 112 K CB -0.216 32.258 32.500 -0.043 0.000 0.713 112 K HN 0.131 nan 8.250 nan 0.000 0.439 113 A N 1.878 124.735 122.820 0.061 0.000 1.877 113 A HA -0.156 4.164 4.320 0.001 0.000 0.216 113 A C 2.162 179.780 177.584 0.056 0.000 1.186 113 A CA 1.154 53.271 52.037 0.133 0.000 0.620 113 A CB -0.718 18.464 19.000 0.304 0.000 0.822 113 A HN 0.268 nan 8.150 nan 0.000 0.443 114 L N -0.719 120.449 121.223 -0.092 0.000 2.042 114 L HA -0.227 4.114 4.340 0.001 0.000 0.210 114 L C 2.851 179.654 176.870 -0.113 0.000 1.076 114 L CA 1.459 56.136 54.840 -0.272 0.000 0.749 114 L CB -0.297 41.626 42.059 -0.226 0.000 0.893 114 L HN 0.392 nan 8.230 nan 0.000 0.432 115 R N -0.925 119.565 120.500 -0.018 0.000 2.081 115 R HA -0.216 4.125 4.340 0.001 0.000 0.235 115 R C 2.201 178.524 176.300 0.039 0.000 1.131 115 R CA 1.726 57.832 56.100 0.009 0.000 0.960 115 R CB -0.808 29.512 30.300 0.033 0.000 0.856 115 R HN 0.343 nan 8.270 nan 0.000 0.436 116 F N 1.959 121.878 119.950 -0.051 0.000 2.134 116 F HA -0.128 4.400 4.527 0.001 0.000 0.299 116 F C 2.063 177.843 175.800 -0.034 0.000 1.097 116 F CA 1.123 59.102 58.000 -0.034 0.000 1.264 116 F CB -0.336 38.649 39.000 -0.026 0.000 1.001 116 F HN -0.145 nan 8.300 nan 0.000 0.479 117 I N 0.274 120.699 120.570 -0.243 0.000 2.226 117 I HA -0.341 3.829 4.170 0.001 0.000 0.245 117 I C 2.409 178.351 176.117 -0.292 0.000 1.100 117 I CA 1.611 62.706 61.300 -0.342 0.000 1.374 117 I CB -0.727 37.143 38.000 -0.216 0.000 1.057 117 I HN 0.267 nan 8.210 nan 0.000 0.413 118 Q N 0.512 120.197 119.800 -0.193 0.000 2.079 118 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 118 Q C 2.242 178.165 176.000 -0.128 0.000 0.974 118 Q CA 1.932 57.657 55.803 -0.130 0.000 0.840 118 Q CB -0.292 28.399 28.738 -0.078 0.000 0.898 118 Q HN 0.590 nan 8.270 nan 0.000 0.430 119 S N 0.248 115.865 115.700 -0.138 0.000 2.584 119 S HA -0.078 4.392 4.470 0.001 0.000 0.240 119 S C 1.358 175.865 174.600 -0.156 0.000 0.975 119 S CA 0.613 58.750 58.200 -0.105 0.000 0.949 119 S CB 0.112 63.285 63.200 -0.046 0.000 0.761 119 S HN 0.224 nan 8.310 nan 0.000 0.536 120 Q N -0.062 119.593 119.800 -0.242 0.000 2.217 120 Q HA 0.327 4.668 4.340 0.001 0.000 0.217 120 Q C 1.290 177.210 176.000 -0.134 0.000 0.844 120 Q CA 0.595 56.260 55.803 -0.231 0.000 0.957 120 Q CB 0.729 29.219 28.738 -0.414 0.000 1.127 120 Q HN 0.728 nan 8.270 nan 0.000 0.503 121 G N 0.056 108.795 108.800 -0.102 0.000 2.179 121 G HA2 -0.130 3.831 3.960 0.001 0.000 0.220 121 G HA3 -0.130 3.831 3.960 0.001 0.000 0.220 121 G C 0.618 175.486 174.900 -0.053 0.000 0.990 121 G CA 0.151 45.220 45.100 -0.052 0.000 0.646 121 G HN 0.777 nan 8.290 nan 0.000 0.517 122 G N -0.518 108.219 108.800 -0.105 0.000 2.642 122 G HA2 -0.092 3.868 3.960 0.001 0.000 0.231 122 G HA3 -0.092 3.868 3.960 0.001 0.000 0.231 122 G C 1.025 175.845 174.900 -0.135 0.000 1.338 122 G CA 0.362 45.389 45.100 -0.122 0.000 0.883 122 G HN 1.403 nan 8.290 nan 0.000 0.570 123 I N 0.407 120.858 120.570 -0.198 0.000 2.315 123 I HA -0.143 4.028 4.170 0.001 0.000 0.251 123 I C 2.280 178.311 176.117 -0.143 0.000 1.125 123 I CA 2.381 63.543 61.300 -0.230 0.000 1.392 123 I CB -0.127 37.626 38.000 -0.413 0.000 1.065 123 I HN 0.554 nan 8.210 nan 0.000 0.424 124 E N 0.522 120.708 120.200 -0.023 0.000 2.472 124 E HA -0.097 4.254 4.350 0.001 0.000 0.200 124 E C 1.821 178.427 176.600 0.010 0.000 1.046 124 E CA 0.622 57.056 56.400 0.056 0.000 0.871 124 E CB 0.001 29.778 29.700 0.128 0.000 0.806 124 E HN 0.481 nan 8.360 nan 0.000 0.533 125 S N 0.066 115.747 115.700 -0.032 0.000 2.539 125 S HA 0.035 4.505 4.470 0.001 0.000 0.221 125 S C 0.812 175.395 174.600 -0.028 0.000 0.987 125 S CA -0.211 57.975 58.200 -0.023 0.000 0.929 125 S CB 0.429 63.607 63.200 -0.037 0.000 0.832 125 S HN 0.228 nan 8.310 nan 0.000 0.492 126 S N 2.580 118.243 115.700 -0.063 0.000 2.614 126 S HA 0.414 4.885 4.470 0.001 0.000 0.265 126 S C 0.370 174.937 174.600 -0.055 0.000 1.303 126 S CA -1.014 57.151 58.200 -0.058 0.000 1.000 126 S CB 0.518 63.658 63.200 -0.100 0.000 0.935 126 S HN 0.542 nan 8.310 nan 0.000 0.551 127 R N 0.202 120.681 120.500 -0.034 0.000 2.822 127 R HA 0.272 4.613 4.340 0.001 0.000 0.277 127 R C 0.886 177.114 176.300 -0.120 0.000 1.102 127 R CA -0.616 55.453 56.100 -0.051 0.000 1.207 127 R CB -0.306 29.976 30.300 -0.031 0.000 1.139 127 R HN 0.386 nan 8.270 nan 0.000 0.557 128 V N 0.140 119.920 119.914 -0.223 0.000 2.255 128 V HA -0.264 3.856 4.120 0.001 0.000 0.247 128 V C 2.188 178.154 176.094 -0.214 0.000 1.051 128 V CA 1.833 63.958 62.300 -0.293 0.000 1.018 128 V CB -0.918 30.553 31.823 -0.587 0.000 0.641 128 V HN 0.650 nan 8.190 nan 0.000 0.445 129 F N 1.109 120.956 119.950 -0.171 0.000 2.043 129 F HA -0.245 4.282 4.527 0.001 0.000 0.297 129 F C 2.708 178.560 175.800 0.087 0.000 1.121 129 F CA 2.160 60.140 58.000 -0.033 0.000 1.199 129 F CB -1.743 37.250 39.000 -0.013 0.000 0.968 129 F HN 0.091 nan 8.300 nan 0.000 0.478 130 T N -0.222 114.458 114.554 0.209 0.000 2.665 130 T HA -0.253 4.098 4.350 0.001 0.000 0.268 130 T C 2.113 176.818 174.700 0.008 0.000 1.035 130 T CA 1.793 63.959 62.100 0.110 0.000 1.151 130 T CB -0.331 68.530 68.868 -0.011 0.000 0.862 130 T HN 0.192 nan 8.240 nan 0.000 0.438 131 R N 0.113 120.519 120.500 -0.156 0.000 2.115 131 R HA 0.116 4.456 4.340 0.001 0.000 0.230 131 R C 2.536 178.704 176.300 -0.221 0.000 1.111 131 R CA 1.017 56.860 56.100 -0.428 0.000 0.976 131 R CB -0.287 29.605 30.300 -0.679 0.000 0.870 131 R HN 0.430 nan 8.270 nan 0.000 0.445 132 M N -0.593 118.951 119.600 -0.094 0.000 2.099 132 M HA -0.174 4.307 4.480 0.001 0.000 0.262 132 M C 1.394 177.598 176.300 -0.159 0.000 1.067 132 M CA 1.763 56.957 55.300 -0.176 0.000 1.124 132 M CB -0.144 32.425 32.600 -0.051 0.000 1.353 132 M HN 0.153 nan 8.290 nan 0.000 0.410 133 W N 0.889 122.190 121.300 0.002 0.000 2.335 133 W HA -0.196 4.464 4.660 0.001 0.000 0.311 133 W C 2.117 178.638 176.519 0.002 0.000 1.213 133 W CA 1.286 58.661 57.345 0.051 0.000 1.274 133 W CB -0.477 29.018 29.460 0.058 0.000 1.148 133 W HN 0.206 nan 8.180 nan 0.000 0.498 134 L N -0.369 120.966 121.223 0.187 0.000 2.131 134 L HA -0.197 4.144 4.340 0.001 0.000 0.210 134 L C 2.566 179.475 176.870 0.064 0.000 1.092 134 L CA 1.135 56.044 54.840 0.114 0.000 0.759 134 L CB -1.050 41.030 42.059 0.035 0.000 0.903 134 L HN 0.011 nan 8.230 nan 0.000 0.435 135 A N -0.020 122.737 122.820 -0.104 0.000 1.930 135 A HA -0.136 4.184 4.320 0.001 0.000 0.217 135 A C 2.214 179.602 177.584 -0.326 0.000 1.175 135 A CA 1.170 52.964 52.037 -0.404 0.000 0.627 135 A CB -0.587 17.777 19.000 -1.059 0.000 0.815 135 A HN 0.352 nan 8.150 nan 0.000 0.443 136 L N 0.003 121.151 121.223 -0.125 0.000 2.191 136 L HA -0.140 4.200 4.340 0.001 0.000 0.212 136 L C 2.183 179.254 176.870 0.335 0.000 1.103 136 L CA 1.377 56.353 54.840 0.228 0.000 0.769 136 L CB -0.239 41.975 42.059 0.258 0.000 0.908 136 L HN 0.465 nan 8.230 nan 0.000 0.438 137 V N -4.176 115.905 119.914 0.279 0.000 3.647 137 V HA 0.454 4.574 4.120 0.001 0.000 0.279 137 V C 1.218 177.452 176.094 0.233 0.000 1.314 137 V CA 0.308 62.801 62.300 0.323 0.000 1.125 137 V CB -0.244 31.753 31.823 0.291 0.000 0.907 137 V HN 0.440 nan 8.190 nan 0.000 0.434 138 G N 0.989 109.890 108.800 0.169 0.000 2.171 138 G HA2 -0.182 3.778 3.960 0.001 0.000 0.238 138 G HA3 -0.182 3.778 3.960 0.001 0.000 0.238 138 G C 0.164 175.155 174.900 0.150 0.000 1.039 138 G CA 0.362 45.547 45.100 0.142 0.000 0.759 138 G HN 0.525 nan 8.290 nan 0.000 0.501 139 E N -1.216 119.088 120.200 0.173 0.000 2.558 139 E HA 0.327 4.678 4.350 0.001 0.000 0.205 139 E C -0.431 176.384 176.600 0.357 0.000 1.006 139 E CA -0.250 56.290 56.400 0.233 0.000 0.961 139 E CB 0.621 30.439 29.700 0.196 0.000 1.044 139 E HN 0.669 nan 8.360 nan 0.000 0.465 140 Y N 0.886 121.239 120.300 0.089 0.000 2.409 140 Y HA 0.204 4.754 4.550 0.001 0.000 0.321 140 Y C -2.653 173.238 175.900 -0.014 0.000 1.209 140 Y CA -2.098 56.055 58.100 0.089 0.000 1.086 140 Y CB 1.705 40.183 38.460 0.029 0.000 1.320 140 Y HN -0.152 nan 8.280 nan 0.000 0.440 141 P HA -0.020 nan 4.420 nan 0.000 0.267 141 P C 0.243 177.442 177.300 -0.168 0.000 1.205 141 P CA 0.371 63.319 63.100 -0.252 0.000 0.765 141 P CB 0.791 32.321 31.700 -0.283 0.000 0.828 142 W N 2.094 123.390 121.300 -0.006 0.000 2.374 142 W HA -0.140 4.520 4.660 0.001 0.000 0.288 142 W C 2.072 178.670 176.519 0.130 0.000 1.218 142 W CA 0.931 58.321 57.345 0.074 0.000 1.245 142 W CB -0.411 29.072 29.460 0.039 0.000 1.126 142 W HN 0.430 nan 8.180 nan 0.000 0.545 143 E N 0.182 120.571 120.200 0.314 0.000 2.160 143 E HA -0.196 4.155 4.350 0.001 0.000 0.195 143 E C 1.433 178.084 176.600 0.086 0.000 0.991 143 E CA 1.289 57.858 56.400 0.282 0.000 0.810 143 E CB -0.312 29.461 29.700 0.122 0.000 0.742 143 E HN 0.191 nan 8.360 nan 0.000 0.466 144 K N 0.409 120.823 120.400 0.024 0.000 2.476 144 K HA 0.136 4.457 4.320 0.001 0.000 0.196 144 K C -0.547 176.185 176.600 0.221 0.000 1.025 144 K CA 0.016 56.313 56.287 0.017 0.000 1.138 144 K CB 0.736 33.171 32.500 -0.108 0.000 0.860 144 K HN -0.040 nan 8.250 nan 0.000 0.515 145 V N 2.813 122.933 119.914 0.342 0.000 2.370 145 V HA 0.196 4.317 4.120 0.001 0.000 0.283 145 V C -2.372 173.993 176.094 0.451 0.000 1.023 145 V CA -2.545 59.985 62.300 0.383 0.000 0.857 145 V CB 1.294 33.340 31.823 0.373 0.000 0.985 145 V HN 0.010 nan 8.190 nan 0.000 0.443 146 P HA -0.013 nan 4.420 nan 0.000 0.261 146 P C -0.389 177.120 177.300 0.348 0.000 1.165 146 P CA 0.186 63.508 63.100 0.371 0.000 0.759 146 P CB 0.257 32.145 31.700 0.313 0.000 0.772 147 M N 5.003 124.769 119.600 0.277 0.000 2.233 147 M HA 0.319 4.799 4.480 0.001 0.000 0.355 147 M C -1.207 175.054 176.300 -0.065 0.000 1.191 147 M CA -0.096 55.202 55.300 -0.003 0.000 1.101 147 M CB 0.812 33.289 32.600 -0.204 0.000 1.592 147 M HN -0.007 nan 8.290 nan 0.000 0.461 148 V N 8.133 127.932 119.914 -0.192 0.000 2.398 148 V HA 0.474 4.594 4.120 0.001 0.000 0.282 148 V C -2.301 173.645 176.094 -0.247 0.000 1.014 148 V CA -1.169 60.966 62.300 -0.276 0.000 0.838 148 V CB 1.285 32.787 31.823 -0.534 0.000 1.018 148 V HN 0.796 nan 8.190 nan 0.000 0.432 149 P HA 0.301 nan 4.420 nan 0.000 0.278 149 P C -2.488 174.704 177.300 -0.179 0.000 1.238 149 P CA -1.769 61.246 63.100 -0.141 0.000 0.794 149 P CB 1.686 33.369 31.700 -0.029 0.000 0.955 150 P HA -0.135 nan 4.420 nan 0.000 0.218 150 P C 1.220 178.355 177.300 -0.275 0.000 1.149 150 P CA 1.407 64.367 63.100 -0.233 0.000 0.817 150 P CB -0.011 31.572 31.700 -0.194 0.000 0.785 151 E N -0.402 119.719 120.200 -0.133 0.000 2.233 151 E HA -0.195 4.155 4.350 0.001 0.000 0.199 151 E C 1.802 178.324 176.600 -0.130 0.000 1.004 151 E CA 0.602 56.979 56.400 -0.039 0.000 0.819 151 E CB -1.269 28.576 29.700 0.242 0.000 0.738 151 E HN 0.286 nan 8.360 nan 0.000 0.478 152 I N -0.027 120.448 120.570 -0.158 0.000 2.502 152 I HA -0.286 3.885 4.170 0.001 0.000 0.258 152 I C 1.143 177.119 176.117 -0.234 0.000 1.172 152 I CA 0.969 62.173 61.300 -0.159 0.000 1.430 152 I CB 0.071 37.937 38.000 -0.222 0.000 1.086 152 I HN 0.144 nan 8.210 nan 0.000 0.440 153 M N -0.269 119.089 119.600 -0.402 0.000 2.632 153 M HA -0.100 4.381 4.480 0.001 0.000 0.256 153 M C 1.400 177.495 176.300 -0.341 0.000 1.080 153 M CA 1.204 56.237 55.300 -0.446 0.000 1.084 153 M CB -1.016 31.254 32.600 -0.551 0.000 1.439 153 M HN 0.226 nan 8.290 nan 0.000 0.509 154 F N -0.148 119.773 119.950 -0.048 0.000 2.698 154 F HA 0.201 4.728 4.527 0.001 0.000 0.295 154 F C 1.045 176.835 175.800 -0.017 0.000 1.124 154 F CA -0.525 57.457 58.000 -0.031 0.000 1.426 154 F CB -0.651 38.327 39.000 -0.037 0.000 1.120 154 F HN -0.081 nan 8.300 nan 0.000 0.583 155 L N 0.613 121.916 121.223 0.135 0.000 2.499 155 L HA 0.183 4.524 4.340 0.001 0.000 0.273 155 L C 1.222 178.154 176.870 0.104 0.000 1.195 155 L CA -0.185 54.715 54.840 0.101 0.000 0.882 155 L CB -0.332 41.770 42.059 0.071 0.000 1.133 155 L HN 0.134 nan 8.230 nan 0.000 0.483 156 G N 2.271 111.127 108.800 0.094 0.000 2.634 156 G HA2 0.110 4.071 3.960 0.001 0.000 0.255 156 G HA3 0.110 4.071 3.960 0.001 0.000 0.255 156 G C 0.686 175.651 174.900 0.107 0.000 1.205 156 G CA -0.532 44.622 45.100 0.091 0.000 0.884 156 G HN 0.766 nan 8.290 nan 0.000 0.549 157 K N -0.104 120.350 120.400 0.091 0.000 2.113 157 K HA -0.121 4.199 4.320 0.001 0.000 0.208 157 K C 1.424 178.070 176.600 0.076 0.000 1.047 157 K CA 1.197 57.532 56.287 0.080 0.000 0.928 157 K CB -0.009 32.486 32.500 -0.008 0.000 0.716 157 K HN 0.467 nan 8.250 nan 0.000 0.446 158 R N 1.047 121.580 120.500 0.055 0.000 3.472 158 R HA 0.314 4.654 4.340 0.001 0.000 0.322 158 R C -0.574 175.755 176.300 0.048 0.000 1.330 158 R CA 0.032 56.160 56.100 0.047 0.000 1.387 158 R CB -0.190 30.127 30.300 0.028 0.000 1.446 158 R HN 0.047 nan 8.270 nan 0.000 0.628 159 M N 1.772 121.411 119.600 0.064 0.000 2.518 159 M HA 0.433 4.914 4.480 0.001 0.000 0.300 159 M C -2.520 173.818 176.300 0.065 0.000 1.175 159 M CA -2.228 53.107 55.300 0.058 0.000 0.890 159 M CB 3.570 36.206 32.600 0.061 0.000 1.710 159 M HN -0.038 nan 8.290 nan 0.000 0.453 160 P HA 0.058 nan 4.420 nan 0.000 0.262 160 P C -0.065 177.282 177.300 0.078 0.000 1.199 160 P CA 0.441 63.576 63.100 0.058 0.000 0.763 160 P CB 0.376 32.109 31.700 0.054 0.000 0.790 161 L N -0.601 120.668 121.223 0.077 0.000 4.140 161 L HA -0.280 4.061 4.340 0.001 0.000 0.406 161 L C 0.597 177.596 176.870 0.214 0.000 1.175 161 L CA 0.397 55.322 54.840 0.141 0.000 0.939 161 L CB -2.094 40.054 42.059 0.147 0.000 2.105 161 L HN 0.556 nan 8.230 nan 0.000 0.803 162 N N 0.757 119.553 118.700 0.160 0.000 2.525 162 N HA 0.342 5.082 4.740 0.001 0.000 0.271 162 N C 1.424 177.009 175.510 0.124 0.000 1.194 162 N CA -0.058 53.062 53.050 0.117 0.000 0.964 162 N CB 0.551 39.123 38.487 0.142 0.000 1.126 162 N HN 0.349 nan 8.380 nan 0.000 0.452 163 I N -2.442 118.048 120.570 -0.133 0.000 2.462 163 I HA -0.300 3.870 4.170 0.001 0.000 0.259 163 I C 0.223 176.179 176.117 -0.270 0.000 1.156 163 I CA 1.370 62.431 61.300 -0.398 0.000 1.417 163 I CB -0.576 36.941 38.000 -0.805 0.000 1.088 163 I HN 0.473 nan 8.210 nan 0.000 0.442 164 Y N 1.567 121.925 120.300 0.097 0.000 2.462 164 Y HA 0.183 4.733 4.550 0.001 0.000 0.293 164 Y C 1.965 177.946 175.900 0.135 0.000 1.195 164 Y CA 0.168 58.345 58.100 0.129 0.000 1.276 164 Y CB -0.322 38.204 38.460 0.110 0.000 1.082 164 Y HN 0.325 nan 8.280 nan 0.000 0.514 165 E N -0.943 119.414 120.200 0.262 0.000 2.431 165 E HA 0.077 4.427 4.350 0.001 0.000 0.200 165 E C -0.360 176.234 176.600 -0.010 0.000 0.995 165 E CA 0.037 56.496 56.400 0.098 0.000 0.915 165 E CB 0.293 29.989 29.700 -0.006 0.000 0.930 165 E HN 0.184 nan 8.360 nan 0.000 0.496 166 F N 1.104 121.001 119.950 -0.087 0.000 2.370 166 F HA 0.376 4.904 4.527 0.001 0.000 0.319 166 F C 1.402 177.072 175.800 -0.216 0.000 1.129 166 F CA -0.714 57.196 58.000 -0.151 0.000 1.109 166 F CB 0.393 39.290 39.000 -0.171 0.000 1.262 166 F HN -0.219 nan 8.300 nan 0.000 0.534 167 G N -0.017 108.643 108.800 -0.233 0.000 2.527 167 G HA2 0.309 4.269 3.960 0.001 0.000 0.248 167 G HA3 0.309 4.269 3.960 0.001 0.000 0.248 167 G C 0.815 175.374 174.900 -0.570 0.000 1.231 167 G CA 0.036 44.745 45.100 -0.652 0.000 0.838 167 G HN 0.807 nan 8.290 nan 0.000 0.570 168 S N 0.457 115.935 115.700 -0.370 0.000 2.380 168 S HA -0.276 4.194 4.470 0.001 0.000 0.229 168 S C 1.919 176.382 174.600 -0.228 0.000 1.043 168 S CA 2.321 60.400 58.200 -0.203 0.000 1.038 168 S CB -0.775 62.263 63.200 -0.270 0.000 0.872 168 S HN 0.997 nan 8.310 nan 0.000 0.456 169 W N 2.012 123.318 121.300 0.009 0.000 2.465 169 W HA 0.487 5.147 4.660 0.001 0.000 0.268 169 W C 2.191 178.810 176.519 0.167 0.000 1.242 169 W CA 0.269 57.662 57.345 0.079 0.000 1.248 169 W CB -0.698 28.905 29.460 0.239 0.000 1.118 169 W HN 0.369 nan 8.180 nan 0.000 0.587 170 A N 0.862 123.683 122.820 0.001 0.000 1.997 170 A HA 0.119 4.439 4.320 0.001 0.000 0.212 170 A C 2.210 179.793 177.584 -0.002 0.000 1.178 170 A CA 0.789 52.928 52.037 0.170 0.000 0.698 170 A CB -0.687 18.424 19.000 0.186 0.000 0.842 170 A HN 0.283 nan 8.150 nan 0.000 0.458 171 R N 0.185 120.618 120.500 -0.111 0.000 2.103 171 R HA -0.203 4.138 4.340 0.001 0.000 0.234 171 R C 2.308 178.440 176.300 -0.280 0.000 1.132 171 R CA 1.948 57.883 56.100 -0.275 0.000 0.925 171 R CB -0.520 29.689 30.300 -0.152 0.000 0.842 171 R HN 0.399 nan 8.270 nan 0.000 0.430 172 A N -0.021 122.806 122.820 0.011 0.000 1.917 172 A HA -0.211 4.109 4.320 0.001 0.000 0.219 172 A C 2.249 179.868 177.584 0.058 0.000 1.182 172 A CA 2.383 54.532 52.037 0.187 0.000 0.633 172 A CB -1.162 18.047 19.000 0.348 0.000 0.819 172 A HN 0.593 nan 8.150 nan 0.000 0.448 173 T N -0.261 114.358 114.554 0.108 0.000 2.684 173 T HA -0.143 4.208 4.350 0.001 0.000 0.267 173 T C 1.880 176.557 174.700 -0.038 0.000 1.036 173 T CA 1.668 63.874 62.100 0.176 0.000 1.148 173 T CB -0.598 68.479 68.868 0.350 0.000 0.863 173 T HN 0.195 nan 8.240 nan 0.000 0.436 174 V N 1.411 121.204 119.914 -0.201 0.000 2.287 174 V HA -0.172 3.948 4.120 0.001 0.000 0.248 174 V C 2.726 178.556 176.094 -0.440 0.000 1.053 174 V CA 1.458 63.499 62.300 -0.432 0.000 1.027 174 V CB -0.918 30.485 31.823 -0.699 0.000 0.646 174 V HN 0.328 nan 8.190 nan 0.000 0.447 175 V N 0.467 120.099 119.914 -0.470 0.000 2.287 175 V HA -0.285 3.835 4.120 0.001 0.000 0.248 175 V C 2.723 178.659 176.094 -0.264 0.000 1.053 175 V CA 2.166 64.194 62.300 -0.452 0.000 1.027 175 V CB -1.341 30.115 31.823 -0.611 0.000 0.646 175 V HN 0.559 nan 8.190 nan 0.000 0.447 176 A N -0.144 122.572 122.820 -0.173 0.000 1.858 176 A HA -0.141 4.180 4.320 0.001 0.000 0.216 176 A C 2.238 179.737 177.584 -0.141 0.000 1.190 176 A CA 1.860 53.826 52.037 -0.119 0.000 0.617 176 A CB -0.599 18.377 19.000 -0.040 0.000 0.827 176 A HN 0.488 nan 8.150 nan 0.000 0.443 177 L N 0.636 121.744 121.223 -0.192 0.000 2.083 177 L HA -0.209 4.132 4.340 0.001 0.000 0.209 177 L C 3.051 179.763 176.870 -0.263 0.000 1.083 177 L CA 1.553 56.243 54.840 -0.250 0.000 0.752 177 L CB -0.638 41.215 42.059 -0.343 0.000 0.899 177 L HN 0.647 nan 8.230 nan 0.000 0.433 178 S N 0.417 115.934 115.700 -0.306 0.000 2.380 178 S HA -0.248 4.223 4.470 0.001 0.000 0.229 178 S C 1.883 176.332 174.600 -0.251 0.000 1.043 178 S CA 1.462 59.483 58.200 -0.299 0.000 1.038 178 S CB -0.827 62.182 63.200 -0.317 0.000 0.872 178 S HN 0.404 nan 8.310 nan 0.000 0.456 179 I N 1.366 121.808 120.570 -0.213 0.000 2.252 179 I HA -0.124 4.047 4.170 0.001 0.000 0.245 179 I C 2.486 178.492 176.117 -0.186 0.000 1.102 179 I CA 1.120 62.313 61.300 -0.179 0.000 1.385 179 I CB -0.577 37.343 38.000 -0.133 0.000 1.064 179 I HN 0.237 nan 8.210 nan 0.000 0.414 180 V N 0.758 120.572 119.914 -0.167 0.000 2.295 180 V HA -0.288 3.833 4.120 0.001 0.000 0.246 180 V C 2.408 178.317 176.094 -0.307 0.000 1.049 180 V CA 1.878 64.085 62.300 -0.154 0.000 1.024 180 V CB -0.577 31.210 31.823 -0.060 0.000 0.648 180 V HN 0.398 nan 8.190 nan 0.000 0.447 181 M N -0.135 119.273 119.600 -0.319 0.000 2.394 181 M HA -0.101 4.379 4.480 0.001 0.000 0.264 181 M C 2.407 178.420 176.300 -0.478 0.000 1.073 181 M CA 1.461 56.484 55.300 -0.462 0.000 1.111 181 M CB -0.508 31.928 32.600 -0.273 0.000 1.401 181 M HN 0.418 nan 8.290 nan 0.000 0.448 182 S N 0.575 116.053 115.700 -0.371 0.000 2.383 182 S HA -0.063 4.407 4.470 0.001 0.000 0.227 182 S C 1.994 176.360 174.600 -0.389 0.000 1.026 182 S CA 1.056 59.044 58.200 -0.354 0.000 0.981 182 S CB 0.061 63.096 63.200 -0.275 0.000 0.818 182 S HN 0.378 nan 8.310 nan 0.000 0.472 183 R N 0.558 120.831 120.500 -0.378 0.000 2.265 183 R HA 0.267 4.608 4.340 0.001 0.000 0.194 183 R C 0.148 176.154 176.300 -0.489 0.000 0.931 183 R CA 0.111 55.997 56.100 -0.357 0.000 1.032 183 R CB -0.805 29.346 30.300 -0.248 0.000 0.980 183 R HN 0.570 nan 8.270 nan 0.000 0.497 184 Q N 1.561 120.905 119.800 -0.760 0.000 2.439 184 Q HA -0.140 4.200 4.340 0.001 0.000 0.361 184 Q C -2.092 173.457 176.000 -0.751 0.000 1.408 184 Q CA 0.115 55.097 55.803 -1.368 0.000 1.052 184 Q CB -1.222 26.672 28.738 -1.406 0.000 1.233 184 Q HN 0.289 nan 8.270 nan 0.000 0.347 185 P HA 0.300 nan 4.420 nan 0.000 0.276 185 P C -0.411 176.829 177.300 -0.100 0.000 1.244 185 P CA -0.315 62.619 63.100 -0.277 0.000 0.801 185 P CB 1.336 32.852 31.700 -0.305 0.000 1.006 186 V N 2.431 122.133 119.914 -0.354 0.000 2.524 186 V HA 0.272 4.393 4.120 0.001 0.000 0.297 186 V C -0.642 175.229 176.094 -0.371 0.000 1.035 186 V CA -0.267 61.940 62.300 -0.154 0.000 0.867 186 V CB 1.008 32.859 31.823 0.047 0.000 1.004 186 V HN 0.321 nan 8.190 nan 0.000 0.426 187 F N 5.534 125.587 119.950 0.171 0.000 2.300 187 F HA 0.482 5.010 4.527 0.001 0.000 0.364 187 F C -2.105 173.859 175.800 0.274 0.000 1.090 187 F CA -2.743 55.343 58.000 0.143 0.000 1.200 187 F CB 0.829 39.856 39.000 0.046 0.000 1.493 187 F HN 0.297 nan 8.300 nan 0.000 0.518 188 P HA -0.042 nan 4.420 nan 0.000 0.266 188 P C -0.338 177.184 177.300 0.370 0.000 1.180 188 P CA 0.417 63.687 63.100 0.283 0.000 0.765 188 P CB 0.681 32.493 31.700 0.187 0.000 0.806 189 L N 4.760 126.123 121.223 0.234 0.000 2.334 189 L HA 0.485 4.826 4.340 0.001 0.000 0.275 189 L C -1.722 175.212 176.870 0.108 0.000 1.036 189 L CA -2.329 52.590 54.840 0.131 0.000 0.807 189 L CB 1.154 43.270 42.059 0.095 0.000 1.231 189 L HN 0.284 nan 8.230 nan 0.000 0.438 190 P HA 0.049 nan 4.420 nan 0.000 0.270 190 P C -0.159 177.155 177.300 0.023 0.000 1.223 190 P CA -0.240 62.879 63.100 0.032 0.000 0.785 190 P CB 0.957 32.639 31.700 -0.029 0.000 0.923 191 E N 1.166 121.381 120.200 0.026 0.000 2.070 191 E HA -0.243 4.108 4.350 0.001 0.000 0.197 191 E C 2.077 178.687 176.600 0.016 0.000 1.004 191 E CA 1.969 58.387 56.400 0.029 0.000 0.805 191 E CB -0.628 29.088 29.700 0.027 0.000 0.744 191 E HN 0.551 nan 8.360 nan 0.000 0.451 192 R N 0.294 120.788 120.500 -0.010 0.000 2.200 192 R HA -0.027 4.313 4.340 0.001 0.000 0.234 192 R C 1.819 178.100 176.300 -0.031 0.000 1.127 192 R CA 1.518 57.603 56.100 -0.025 0.000 0.989 192 R CB -0.234 30.034 30.300 -0.054 0.000 0.869 192 R HN 0.160 nan 8.270 nan 0.000 0.459 193 A N 1.023 123.826 122.820 -0.028 0.000 2.252 193 A HA 0.197 4.518 4.320 0.001 0.000 0.213 193 A C 0.159 177.772 177.584 0.049 0.000 1.188 193 A CA -0.520 51.514 52.037 -0.005 0.000 0.863 193 A CB 0.163 19.164 19.000 0.001 0.000 0.893 193 A HN 0.046 nan 8.150 nan 0.000 0.495 194 R N 0.339 120.877 120.500 0.063 0.000 2.566 194 R HA 0.094 4.435 4.340 0.001 0.000 0.273 194 R C 0.104 176.472 176.300 0.112 0.000 0.981 194 R CA 0.601 56.759 56.100 0.096 0.000 1.091 194 R CB -0.180 30.176 30.300 0.093 0.000 0.924 194 R HN 0.410 nan 8.270 nan 0.000 0.411 195 V N 0.703 120.703 119.914 0.143 0.000 2.592 195 V HA 0.195 4.315 4.120 0.001 0.000 0.278 195 V C -1.561 174.644 176.094 0.185 0.000 1.087 195 V CA -1.257 61.147 62.300 0.174 0.000 1.282 195 V CB 1.077 33.017 31.823 0.196 0.000 1.543 195 V HN 0.520 nan 8.190 nan 0.000 0.606 196 P HA -0.201 nan 4.420 nan 0.000 0.218 196 P C 1.438 178.890 177.300 0.254 0.000 1.149 196 P CA 1.777 65.051 63.100 0.291 0.000 0.817 196 P CB 0.294 32.118 31.700 0.207 0.000 0.785 197 E N 0.757 121.056 120.200 0.164 0.000 2.448 197 E HA -0.157 4.194 4.350 0.001 0.000 0.203 197 E C 1.754 178.373 176.600 0.032 0.000 1.046 197 E CA 0.739 57.204 56.400 0.108 0.000 0.871 197 E CB -1.136 28.628 29.700 0.106 0.000 0.790 197 E HN 0.363 nan 8.360 nan 0.000 0.545 198 L N -0.470 120.738 121.223 -0.025 0.000 2.552 198 L HA -0.000 4.340 4.340 0.001 0.000 0.227 198 L C 1.361 178.070 176.870 -0.268 0.000 1.146 198 L CA 0.500 55.224 54.840 -0.194 0.000 0.858 198 L CB -0.263 41.633 42.059 -0.272 0.000 0.969 198 L HN 0.032 nan 8.230 nan 0.000 0.451 199 Y N -0.555 119.767 120.300 0.037 0.000 2.522 199 Y HA 0.083 4.633 4.550 0.001 0.000 0.277 199 Y C 1.087 176.999 175.900 0.021 0.000 1.104 199 Y CA -0.626 57.498 58.100 0.038 0.000 1.260 199 Y CB 0.170 38.664 38.460 0.056 0.000 1.151 199 Y HN 0.045 nan 8.280 nan 0.000 0.539 200 E N 1.805 122.105 120.200 0.166 0.000 2.026 200 E HA 0.074 4.424 4.350 0.001 0.000 0.249 200 E C -0.674 175.955 176.600 0.049 0.000 1.273 200 E CA 0.543 57.000 56.400 0.095 0.000 0.991 200 E CB -0.321 29.424 29.700 0.074 0.000 1.076 200 E HN 0.080 nan 8.360 nan 0.000 0.438 201 T N 1.447 116.032 114.554 0.051 0.000 3.047 201 T HA 0.030 4.381 4.350 0.001 0.000 0.340 201 T C 0.072 174.789 174.700 0.028 0.000 1.421 201 T CA -0.917 61.197 62.100 0.023 0.000 1.090 201 T CB 1.178 70.046 68.868 -0.000 0.000 1.292 201 T HN 0.430 nan 8.240 nan 0.000 0.480 202 D N 0.783 121.194 120.400 0.017 0.000 2.301 202 D HA 0.014 4.654 4.640 0.001 0.000 0.206 202 D C 0.939 177.248 176.300 0.014 0.000 0.979 202 D CA 0.313 54.324 54.000 0.018 0.000 0.874 202 D CB -0.092 40.717 40.800 0.015 0.000 0.968 202 D HN 0.316 nan 8.370 nan 0.000 0.510 203 V N 4.111 124.028 119.914 0.005 0.000 2.720 203 V HA 0.025 4.146 4.120 0.001 0.000 0.307 203 V C -1.793 174.306 176.094 0.007 0.000 1.071 203 V CA -0.691 61.610 62.300 0.000 0.000 1.199 203 V CB 0.105 31.918 31.823 -0.017 0.000 0.900 203 V HN 0.178 nan 8.190 nan 0.000 0.494 204 P HA 0.167 nan 4.420 nan 0.000 0.271 204 P C -2.480 174.830 177.300 0.017 0.000 1.226 204 P CA -1.359 61.752 63.100 0.018 0.000 0.765 204 P CB 0.206 31.917 31.700 0.019 0.000 0.835 205 P HA 0.032 nan 4.420 nan 0.000 0.265 205 P C 0.003 177.319 177.300 0.026 0.000 1.222 205 P CA 0.180 63.296 63.100 0.026 0.000 0.767 205 P CB 0.343 32.073 31.700 0.049 0.000 0.801 206 R N 3.696 124.206 120.500 0.016 0.000 2.755 206 R HA 0.357 4.697 4.340 0.001 0.000 0.268 206 R C 0.179 176.496 176.300 0.028 0.000 1.295 206 R CA -0.791 55.324 56.100 0.024 0.000 1.379 206 R CB 0.422 30.734 30.300 0.020 0.000 1.170 206 R HN 0.358 nan 8.270 nan 0.000 0.584 207 R N 2.469 122.990 120.500 0.035 0.000 2.543 207 R HA 0.103 4.443 4.340 0.001 0.000 0.277 207 R C -0.387 175.937 176.300 0.041 0.000 1.074 207 R CA -0.340 55.782 56.100 0.037 0.000 1.076 207 R CB 0.833 31.161 30.300 0.046 0.000 0.993 207 R HN 0.524 nan 8.270 nan 0.000 0.459 208 R N 1.930 122.453 120.500 0.038 0.000 2.459 208 R HA 0.292 4.633 4.340 0.001 0.000 0.281 208 R C -0.423 175.899 176.300 0.037 0.000 1.050 208 R CA -0.092 56.035 56.100 0.045 0.000 1.055 208 R CB 1.222 31.554 30.300 0.054 0.000 1.045 208 R HN 0.812 nan 8.270 nan 0.000 0.495 209 G N 0.926 109.750 108.800 0.040 0.000 2.597 209 G HA2 0.537 4.497 3.960 0.001 0.000 0.317 209 G HA3 0.537 4.497 3.960 0.001 0.000 0.317 209 G C -1.012 173.899 174.900 0.020 0.000 1.230 209 G CA -0.676 44.446 45.100 0.038 0.000 0.996 209 G HN 0.817 nan 8.290 nan 0.000 0.490 210 A N 0.420 123.251 122.820 0.018 0.000 2.565 210 A HA 0.262 4.583 4.320 0.001 0.000 0.237 210 A C 1.755 179.327 177.584 -0.020 0.000 1.053 210 A CA 0.075 52.102 52.037 -0.017 0.000 0.755 210 A CB 0.262 19.252 19.000 -0.015 0.000 0.980 210 A HN 0.621 nan 8.150 nan 0.000 0.506 211 K N 2.731 123.091 120.400 -0.066 0.000 2.049 211 K HA -0.232 4.088 4.320 0.001 0.000 0.219 211 K C 1.647 178.218 176.600 -0.049 0.000 1.056 211 K CA 2.262 58.505 56.287 -0.074 0.000 0.946 211 K CB -0.843 31.580 32.500 -0.128 0.000 0.723 211 K HN 0.865 nan 8.250 nan 0.000 0.453 212 G N 0.154 108.902 108.800 -0.088 0.000 3.314 212 G HA2 0.381 4.342 3.960 0.001 0.000 0.238 212 G HA3 0.381 4.342 3.960 0.001 0.000 0.238 212 G C 0.144 175.184 174.900 0.233 0.000 1.184 212 G CA 0.367 45.469 45.100 0.004 0.000 0.806 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 G N -1.532 107.371 108.800 0.171 0.000 2.785 213 G HA2 0.421 4.381 3.960 0.001 0.000 0.686 213 G HA3 0.421 4.381 3.960 0.001 0.000 0.686 213 G C 0.100 175.131 174.900 0.217 0.000 1.155 213 G CA -0.422 44.782 45.100 0.174 0.000 0.760 213 G HN 1.001 nan 8.290 nan 0.000 0.624 214 G N 0.191 109.086 108.800 0.159 0.000 2.332 214 G HA2 0.782 4.743 3.960 0.001 0.000 0.310 214 G HA3 0.782 4.743 3.960 0.001 0.000 0.310 214 G C 0.527 175.564 174.900 0.228 0.000 1.123 214 G CA 0.492 45.710 45.100 0.197 0.000 0.873 214 G HN 1.585 nan 8.290 nan 0.000 0.460 215 G N 1.918 110.942 108.800 0.373 0.000 2.356 215 G HA2 0.381 4.341 3.960 0.001 0.000 0.298 215 G HA3 0.381 4.341 3.960 0.001 0.000 0.298 215 G C 1.022 175.934 174.900 0.020 0.000 1.145 215 G CA -0.625 44.565 45.100 0.149 0.000 0.850 215 G HN 0.818 nan 8.290 nan 0.000 0.487 216 W N 3.462 124.767 121.300 0.009 0.000 2.336 216 W HA -0.185 4.476 4.660 0.001 0.000 0.277 216 W C 0.870 177.350 176.519 -0.065 0.000 1.211 216 W CA 0.413 57.754 57.345 -0.007 0.000 1.187 216 W CB -0.703 28.744 29.460 -0.022 0.000 1.132 216 W HN 0.375 nan 8.180 nan 0.000 0.562 217 I N 0.990 120.837 120.570 -1.205 0.000 2.113 217 I HA -0.247 3.924 4.170 0.001 0.000 0.238 217 I C 2.517 178.267 176.117 -0.612 0.000 1.070 217 I CA 1.738 62.290 61.300 -1.248 0.000 1.332 217 I CB -1.528 35.581 38.000 -1.485 0.000 1.044 217 I HN -0.249 nan 8.210 nan 0.000 0.402 218 F N 0.765 120.587 119.950 -0.215 0.000 2.095 218 F HA -0.225 4.303 4.527 0.001 0.000 0.298 218 F C 2.400 178.199 175.800 -0.002 0.000 1.104 218 F CA 1.720 59.679 58.000 -0.068 0.000 1.232 218 F CB -1.300 37.688 39.000 -0.020 0.000 0.987 218 F HN 0.125 nan 8.300 nan 0.000 0.475 219 D N 0.084 120.598 120.400 0.191 0.000 2.116 219 D HA -0.225 4.416 4.640 0.001 0.000 0.193 219 D C 2.222 178.602 176.300 0.134 0.000 0.998 219 D CA 1.684 55.784 54.000 0.168 0.000 0.836 219 D CB -0.245 40.663 40.800 0.180 0.000 0.951 219 D HN 0.175 nan 8.370 nan 0.000 0.449 220 A N -0.085 122.799 122.820 0.106 0.000 1.855 220 A HA -0.089 4.232 4.320 0.001 0.000 0.215 220 A C 2.140 179.773 177.584 0.082 0.000 1.191 220 A CA 1.423 53.523 52.037 0.105 0.000 0.613 220 A CB -1.068 18.007 19.000 0.124 0.000 0.829 220 A HN 0.383 nan 8.150 nan 0.000 0.442 221 L N 0.650 121.897 121.223 0.040 0.000 2.051 221 L HA -0.243 4.097 4.340 0.001 0.000 0.214 221 L C 1.848 178.793 176.870 0.125 0.000 1.076 221 L CA 2.971 57.847 54.840 0.060 0.000 0.758 221 L CB -0.959 41.129 42.059 0.048 0.000 0.890 221 L HN 0.535 nan 8.230 nan 0.000 0.433 222 D N -0.819 119.678 120.400 0.161 0.000 2.078 222 D HA -0.217 4.424 4.640 0.001 0.000 0.193 222 D C 2.252 178.707 176.300 0.259 0.000 0.990 222 D CA 1.736 55.869 54.000 0.222 0.000 0.827 222 D CB -0.057 40.873 40.800 0.215 0.000 0.975 222 D HN 0.363 nan 8.370 nan 0.000 0.451 223 R N 0.322 120.922 120.500 0.168 0.000 2.117 223 R HA -0.140 4.201 4.340 0.001 0.000 0.243 223 R C 2.373 178.774 176.300 0.168 0.000 1.143 223 R CA 1.239 57.419 56.100 0.133 0.000 0.968 223 R CB -0.489 29.865 30.300 0.089 0.000 0.863 223 R HN 0.194 nan 8.270 nan 0.000 0.444 224 A N 1.710 124.619 122.820 0.148 0.000 1.845 224 A HA -0.132 4.188 4.320 0.001 0.000 0.215 224 A C 2.265 179.959 177.584 0.183 0.000 1.195 224 A CA 1.191 53.309 52.037 0.135 0.000 0.616 224 A CB -0.657 18.399 19.000 0.092 0.000 0.832 224 A HN 0.178 nan 8.150 nan 0.000 0.443 225 L N -1.476 119.861 121.223 0.190 0.000 2.043 225 L HA -0.274 4.067 4.340 0.001 0.000 0.212 225 L C 2.595 179.555 176.870 0.149 0.000 1.075 225 L CA 1.906 56.858 54.840 0.187 0.000 0.752 225 L CB -0.803 41.329 42.059 0.122 0.000 0.891 225 L HN 0.493 nan 8.230 nan 0.000 0.432 226 H N -0.777 118.355 119.070 0.103 0.000 2.456 226 H HA -0.086 4.471 4.556 0.001 0.000 0.296 226 H C 2.155 177.531 175.328 0.079 0.000 1.079 226 H CA 1.267 57.362 56.048 0.077 0.000 1.322 226 H CB -0.284 29.524 29.762 0.077 0.000 1.388 226 H HN 0.322 nan 8.280 nan 0.000 0.538 227 G N -0.536 108.395 108.800 0.218 0.000 2.404 227 G HA2 -0.304 3.657 3.960 0.001 0.000 0.214 227 G HA3 -0.304 3.657 3.960 0.001 0.000 0.214 227 G C 1.510 176.517 174.900 0.179 0.000 1.189 227 G CA 0.591 45.790 45.100 0.165 0.000 0.789 227 G HN 0.445 nan 8.290 nan 0.000 0.533 228 Y N 1.425 121.770 120.300 0.075 0.000 2.315 228 Y HA -0.178 4.373 4.550 0.001 0.000 0.288 228 Y C 2.722 178.727 175.900 0.175 0.000 1.154 228 Y CA 1.850 60.000 58.100 0.083 0.000 1.229 228 Y CB -0.374 38.137 38.460 0.085 0.000 0.980 228 Y HN 0.306 nan 8.280 nan 0.000 0.540 229 Q N 0.772 120.579 119.800 0.012 0.000 2.226 229 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 229 Q C 1.727 177.747 176.000 0.033 0.000 0.975 229 Q CA 1.746 57.488 55.803 -0.102 0.000 0.866 229 Q CB -0.142 28.505 28.738 -0.152 0.000 0.915 229 Q HN 0.456 nan 8.270 nan 0.000 0.440 230 K N -0.580 119.849 120.400 0.048 0.000 2.426 230 K HA 0.118 4.439 4.320 0.001 0.000 0.193 230 K C 0.041 176.643 176.600 0.003 0.000 1.028 230 K CA -0.146 56.160 56.287 0.032 0.000 1.047 230 K CB 0.177 32.697 32.500 0.035 0.000 0.821 230 K HN 0.221 nan 8.250 nan 0.000 0.513 231 L N 0.432 121.621 121.223 -0.057 0.000 2.473 231 L HA -0.030 4.310 4.340 0.001 0.000 0.268 231 L C 1.716 178.434 176.870 -0.253 0.000 1.215 231 L CA 0.031 54.753 54.840 -0.197 0.000 0.823 231 L CB 0.689 42.561 42.059 -0.311 0.000 1.099 231 L HN 0.034 nan 8.230 nan 0.000 0.483 232 S N 0.664 116.249 115.700 -0.193 0.000 2.527 232 S HA 0.069 4.539 4.470 0.001 0.000 0.222 232 S C 0.020 174.516 174.600 -0.173 0.000 0.985 232 S CA -0.040 58.083 58.200 -0.127 0.000 0.921 232 S CB -0.083 63.069 63.200 -0.079 0.000 0.772 232 S HN 0.432 nan 8.310 nan 0.000 0.529 233 V N 0.336 120.040 119.914 -0.349 0.000 2.668 233 V HA 0.636 4.757 4.120 0.001 0.000 0.304 233 V C -1.828 173.982 176.094 -0.473 0.000 1.071 233 V CA -0.962 61.170 62.300 -0.281 0.000 0.894 233 V CB 1.212 32.947 31.823 -0.148 0.000 1.008 233 V HN 0.285 nan 8.190 nan 0.000 0.425 234 H N 5.222 124.247 119.070 -0.075 0.000 2.791 234 H HA 0.554 5.111 4.556 0.001 0.000 0.272 234 H C -2.678 172.666 175.328 0.027 0.000 1.188 234 H CA -1.703 54.341 56.048 -0.006 0.000 1.436 234 H CB 1.307 30.931 29.762 -0.229 0.000 1.467 234 H HN 0.641 nan 8.280 nan 0.000 0.500 235 P HA -0.104 nan 4.420 nan 0.000 0.261 235 P C -0.208 177.003 177.300 -0.148 0.000 1.183 235 P CA 0.288 63.224 63.100 -0.273 0.000 0.761 235 P CB 0.427 31.861 31.700 -0.443 0.000 0.785 236 F N -0.058 119.956 119.950 0.107 0.000 2.794 236 F HA -0.236 4.292 4.527 0.001 0.000 0.335 236 F C 1.908 177.849 175.800 0.235 0.000 0.653 236 F CA 1.177 59.257 58.000 0.133 0.000 1.266 236 F CB -2.135 36.885 39.000 0.034 0.000 1.666 236 F HN 0.354 nan 8.300 nan 0.000 0.314 237 R N 1.308 121.984 120.500 0.293 0.000 2.075 237 R HA -0.107 4.234 4.340 0.001 0.000 0.232 237 R C 2.344 178.717 176.300 0.122 0.000 1.126 237 R CA 1.769 57.989 56.100 0.201 0.000 0.963 237 R CB -0.251 30.098 30.300 0.082 0.000 0.858 237 R HN 0.483 nan 8.270 nan 0.000 0.435 238 R N 0.300 120.863 120.500 0.105 0.000 2.096 238 R HA -0.181 4.160 4.340 0.001 0.000 0.240 238 R C 2.045 178.404 176.300 0.099 0.000 1.139 238 R CA 1.939 58.080 56.100 0.067 0.000 0.952 238 R CB -0.523 29.815 30.300 0.063 0.000 0.854 238 R HN 0.321 nan 8.270 nan 0.000 0.436 239 A N 0.822 123.760 122.820 0.197 0.000 1.883 239 A HA -0.115 4.205 4.320 0.001 0.000 0.217 239 A C 2.467 180.139 177.584 0.147 0.000 1.186 239 A CA 1.834 54.009 52.037 0.230 0.000 0.624 239 A CB -0.969 18.257 19.000 0.378 0.000 0.822 239 A HN 0.614 nan 8.150 nan 0.000 0.444 240 A N -0.051 122.855 122.820 0.144 0.000 1.883 240 A HA -0.234 4.087 4.320 0.001 0.000 0.217 240 A C 1.918 179.374 177.584 -0.214 0.000 1.186 240 A CA 1.834 53.703 52.037 -0.278 0.000 0.624 240 A CB -0.655 18.234 19.000 -0.184 0.000 0.822 240 A HN 0.675 nan 8.150 nan 0.000 0.444 241 E N -0.247 119.893 120.200 -0.101 0.000 2.023 241 E HA -0.190 4.160 4.350 0.001 0.000 0.196 241 E C 1.952 178.509 176.600 -0.072 0.000 1.003 241 E CA 1.431 57.770 56.400 -0.101 0.000 0.809 241 E CB -0.425 29.230 29.700 -0.076 0.000 0.755 241 E HN 0.694 nan 8.360 nan 0.000 0.449 242 I N 1.045 121.599 120.570 -0.027 0.000 2.248 242 I HA -0.292 3.878 4.170 0.001 0.000 0.248 242 I C 2.490 178.608 176.117 0.002 0.000 1.107 242 I CA 0.915 62.216 61.300 0.002 0.000 1.373 242 I CB -0.336 37.683 38.000 0.032 0.000 1.055 242 I HN 0.058 nan 8.210 nan 0.000 0.418 243 R N 0.872 121.352 120.500 -0.034 0.000 2.096 243 R HA -0.099 4.242 4.340 0.001 0.000 0.235 243 R C 2.330 178.621 176.300 -0.015 0.000 1.127 243 R CA 1.602 57.679 56.100 -0.039 0.000 0.968 243 R CB -0.878 29.323 30.300 -0.165 0.000 0.861 243 R HN 0.420 nan 8.270 nan 0.000 0.440 244 A N 1.072 123.844 122.820 -0.081 0.000 1.897 244 A HA -0.102 4.219 4.320 0.001 0.000 0.215 244 A C 2.181 179.800 177.584 0.059 0.000 1.181 244 A CA 0.859 52.857 52.037 -0.064 0.000 0.620 244 A CB -0.501 18.400 19.000 -0.165 0.000 0.821 244 A HN 0.212 nan 8.150 nan 0.000 0.443 245 L N 0.489 121.727 121.223 0.024 0.000 1.970 245 L HA -0.202 4.138 4.340 0.001 0.000 0.212 245 L C 1.664 178.595 176.870 0.101 0.000 1.071 245 L CA 2.744 57.611 54.840 0.045 0.000 0.751 245 L CB -0.878 41.189 42.059 0.012 0.000 0.889 245 L HN 0.360 nan 8.230 nan 0.000 0.432 246 D N -1.214 119.242 120.400 0.094 0.000 2.123 246 D HA -0.276 4.364 4.640 0.001 0.000 0.196 246 D C 1.830 178.207 176.300 0.128 0.000 0.992 246 D CA 1.641 55.698 54.000 0.095 0.000 0.833 246 D CB -0.538 40.308 40.800 0.077 0.000 0.954 246 D HN 0.620 nan 8.370 nan 0.000 0.455 247 W N 1.444 122.739 121.300 -0.007 0.000 2.338 247 W HA -0.142 4.518 4.660 0.001 0.000 0.304 247 W C 2.118 178.673 176.519 0.058 0.000 1.212 247 W CA 1.178 58.522 57.345 -0.002 0.000 1.264 247 W CB -0.295 29.140 29.460 -0.042 0.000 1.142 247 W HN -0.067 nan 8.180 nan 0.000 0.512 248 L N -0.309 121.135 121.223 0.369 0.000 2.044 248 L HA -0.219 4.122 4.340 0.001 0.000 0.205 248 L C 2.480 179.597 176.870 0.411 0.000 1.075 248 L CA 1.103 56.186 54.840 0.404 0.000 0.747 248 L CB -1.126 41.079 42.059 0.242 0.000 0.903 248 L HN -0.005 nan 8.230 nan 0.000 0.435 249 L N -0.273 121.100 121.223 0.249 0.000 2.127 249 L HA -0.227 4.114 4.340 0.001 0.000 0.211 249 L C 2.460 179.364 176.870 0.058 0.000 1.089 249 L CA 1.307 56.257 54.840 0.182 0.000 0.757 249 L CB -0.481 41.644 42.059 0.109 0.000 0.899 249 L HN 0.361 nan 8.230 nan 0.000 0.434 250 E N -0.094 120.073 120.200 -0.054 0.000 2.112 250 E HA -0.120 4.231 4.350 0.001 0.000 0.190 250 E C 1.841 178.238 176.600 -0.338 0.000 0.979 250 E CA 0.637 56.918 56.400 -0.198 0.000 0.814 250 E CB 0.078 29.599 29.700 -0.299 0.000 0.762 250 E HN 0.456 nan 8.360 nan 0.000 0.460 251 R N 1.070 121.354 120.500 -0.360 0.000 2.359 251 R HA 0.087 4.427 4.340 0.001 0.000 0.231 251 R C 0.497 176.752 176.300 -0.074 0.000 0.913 251 R CA -0.184 55.697 56.100 -0.365 0.000 1.075 251 R CB 0.152 30.144 30.300 -0.513 0.000 1.087 251 R HN 0.106 nan 8.270 nan 0.000 0.515 252 Q N 1.624 121.281 119.800 -0.240 0.000 2.283 252 Q HA 0.092 4.433 4.340 0.001 0.000 0.301 252 Q C -0.278 175.430 176.000 -0.487 0.000 1.063 252 Q CA -0.180 55.114 55.803 -0.848 0.000 0.952 252 Q CB 0.735 28.945 28.738 -0.880 0.000 1.166 252 Q HN 0.254 nan 8.270 nan 0.000 0.381 253 A N 3.539 126.019 122.820 -0.567 0.000 2.409 253 A HA 0.269 4.589 4.320 0.001 0.000 0.246 253 A C 1.150 178.544 177.584 -0.316 0.000 1.099 253 A CA 0.276 52.118 52.037 -0.325 0.000 0.789 253 A CB -0.111 18.714 19.000 -0.292 0.000 1.053 253 A HN 1.052 nan 8.150 nan 0.000 0.503 254 G N -0.295 108.370 108.800 -0.224 0.000 2.403 254 G HA2 -0.152 3.809 3.960 0.001 0.000 0.216 254 G HA3 -0.152 3.809 3.960 0.001 0.000 0.216 254 G C 0.681 175.489 174.900 -0.153 0.000 1.154 254 G CA 1.227 46.221 45.100 -0.178 0.000 0.784 254 G HN 0.893 nan 8.290 nan 0.000 0.538 255 D N -0.752 119.564 120.400 -0.140 0.000 2.371 255 D HA 0.262 4.903 4.640 0.001 0.000 0.234 255 D C 1.712 177.928 176.300 -0.140 0.000 1.049 255 D CA 0.799 54.756 54.000 -0.072 0.000 0.907 255 D CB -0.411 40.420 40.800 0.053 0.000 0.891 255 D HN 0.467 nan 8.370 nan 0.000 0.531 256 G N -0.429 108.194 108.800 -0.294 0.000 2.195 256 G HA2 -0.321 3.639 3.960 0.001 0.000 0.246 256 G HA3 -0.321 3.639 3.960 0.001 0.000 0.246 256 G C 0.695 175.128 174.900 -0.778 0.000 0.984 256 G CA 0.528 45.413 45.100 -0.358 0.000 0.633 256 G HN 0.788 nan 8.290 nan 0.000 0.525 257 S N -1.034 113.978 115.700 -1.147 0.000 2.477 257 S HA 0.669 5.140 4.470 0.001 0.000 0.261 257 S C 0.002 174.047 174.600 -0.926 0.000 1.197 257 S CA -0.027 57.065 58.200 -1.847 0.000 1.015 257 S CB 0.964 63.169 63.200 -1.658 0.000 1.077 257 S HN 0.760 nan 8.310 nan 0.000 0.505 258 W N -0.143 120.891 121.300 -0.443 0.000 2.680 258 W HA 0.453 5.114 4.660 0.001 0.000 0.305 258 W C 0.621 177.154 176.519 0.025 0.000 1.033 258 W CA -0.058 57.246 57.345 -0.068 0.000 1.242 258 W CB 0.953 30.447 29.460 0.057 0.000 1.138 258 W HN 1.315 nan 8.180 nan 0.000 0.358 259 G N 1.218 110.135 108.800 0.195 0.000 2.205 259 G HA2 -0.212 3.749 3.960 0.001 0.000 0.261 259 G HA3 -0.212 3.749 3.960 0.001 0.000 0.261 259 G C 1.018 176.009 174.900 0.151 0.000 0.980 259 G CA 0.755 45.914 45.100 0.098 0.000 0.632 259 G HN 1.698 nan 8.290 nan 0.000 0.533 260 G N -0.505 108.381 108.800 0.143 0.000 2.147 260 G HA2 -0.048 3.913 3.960 0.001 0.000 0.244 260 G HA3 -0.048 3.913 3.960 0.001 0.000 0.244 260 G C 0.373 175.481 174.900 0.346 0.000 1.005 260 G CA 1.022 46.265 45.100 0.238 0.000 0.713 260 G HN 2.240 nan 8.290 nan 0.000 0.515 261 I N -4.550 116.209 120.570 0.315 0.000 2.689 261 I HA 0.606 4.776 4.170 0.001 0.000 0.299 261 I C 1.122 177.465 176.117 0.378 0.000 1.059 261 I CA -1.191 60.306 61.300 0.327 0.000 1.055 261 I CB 1.694 39.838 38.000 0.241 0.000 1.243 261 I HN -0.050 nan 8.210 nan 0.000 0.425 262 Q N 3.589 123.561 119.800 0.287 0.000 2.014 262 Q HA -0.116 4.225 4.340 0.001 0.000 0.207 262 Q C -0.981 174.949 176.000 -0.118 0.000 0.993 262 Q CA 2.735 58.587 55.803 0.081 0.000 0.850 262 Q CB -1.343 27.307 28.738 -0.147 0.000 0.916 262 Q HN 0.687 nan 8.270 nan 0.000 0.417 263 P HA -0.176 nan 4.420 nan 0.000 0.206 263 P C -1.544 175.731 177.300 -0.041 0.000 1.142 263 P CA 2.788 65.772 63.100 -0.193 0.000 0.946 263 P CB -1.333 30.387 31.700 0.033 0.000 0.777 264 P HA -0.237 nan 4.420 nan 0.000 0.216 264 P C 1.553 179.040 177.300 0.312 0.000 1.153 264 P CA 1.639 64.930 63.100 0.319 0.000 0.858 264 P CB -0.607 31.279 31.700 0.310 0.000 0.789 265 W N 0.912 122.353 121.300 0.236 0.000 2.301 265 W HA -0.228 4.433 4.660 0.001 0.000 0.325 265 W C 2.159 178.814 176.519 0.226 0.000 1.250 265 W CA 1.190 58.749 57.345 0.357 0.000 1.261 265 W CB -1.754 27.953 29.460 0.412 0.000 1.157 265 W HN -0.147 nan 8.180 nan 0.000 0.473 266 F N -0.452 119.522 119.950 0.040 0.000 2.069 266 F HA -0.244 4.284 4.527 0.001 0.000 0.298 266 F C 2.354 178.095 175.800 -0.098 0.000 1.113 266 F CA 2.025 59.930 58.000 -0.159 0.000 1.214 266 F CB -1.718 37.102 39.000 -0.300 0.000 0.978 266 F HN -0.142 nan 8.300 nan 0.000 0.474 267 Y N -0.257 120.182 120.300 0.232 0.000 2.224 267 Y HA -0.086 4.465 4.550 0.001 0.000 0.289 267 Y C 2.491 178.362 175.900 -0.050 0.000 1.146 267 Y CA 0.499 58.625 58.100 0.043 0.000 1.182 267 Y CB -1.589 36.884 38.460 0.021 0.000 0.983 267 Y HN 0.031 nan 8.280 nan 0.000 0.524 268 A N 0.189 123.002 122.820 -0.012 0.000 1.902 268 A HA -0.145 4.176 4.320 0.001 0.000 0.217 268 A C 2.310 179.776 177.584 -0.197 0.000 1.181 268 A CA 1.545 53.364 52.037 -0.362 0.000 0.623 268 A CB -1.111 17.178 19.000 -1.186 0.000 0.818 268 A HN 0.466 nan 8.150 nan 0.000 0.443 269 L N -0.552 120.657 121.223 -0.023 0.000 2.046 269 L HA -0.176 4.164 4.340 0.001 0.000 0.208 269 L C 2.473 179.437 176.870 0.157 0.000 1.077 269 L CA 1.210 56.112 54.840 0.103 0.000 0.747 269 L CB -0.484 41.603 42.059 0.047 0.000 0.896 269 L HN 0.399 nan 8.230 nan 0.000 0.432 270 I N -0.236 120.389 120.570 0.092 0.000 2.226 270 I HA -0.278 3.893 4.170 0.001 0.000 0.245 270 I C 2.820 178.989 176.117 0.087 0.000 1.100 270 I CA 1.134 62.484 61.300 0.083 0.000 1.374 270 I CB -0.546 37.509 38.000 0.091 0.000 1.057 270 I HN 0.196 nan 8.210 nan 0.000 0.413 271 A N 1.144 123.996 122.820 0.053 0.000 1.908 271 A HA -0.172 4.149 4.320 0.001 0.000 0.218 271 A C 2.311 179.909 177.584 0.023 0.000 1.181 271 A CA 1.504 53.548 52.037 0.012 0.000 0.627 271 A CB -0.865 18.110 19.000 -0.042 0.000 0.818 271 A HN 0.400 nan 8.150 nan 0.000 0.445 272 L N -1.008 120.254 121.223 0.065 0.000 2.141 272 L HA -0.164 4.177 4.340 0.001 0.000 0.209 272 L C 2.565 179.451 176.870 0.026 0.000 1.094 272 L CA 1.675 56.568 54.840 0.090 0.000 0.763 272 L CB -0.356 41.867 42.059 0.272 0.000 0.908 272 L HN 0.367 nan 8.230 nan 0.000 0.437 273 K N 0.859 121.293 120.400 0.058 0.000 2.097 273 K HA -0.145 4.176 4.320 0.001 0.000 0.205 273 K C 1.874 178.472 176.600 -0.003 0.000 1.050 273 K CA 1.407 57.664 56.287 -0.049 0.000 0.938 273 K CB -0.152 32.337 32.500 -0.019 0.000 0.718 273 K HN 0.052 nan 8.250 nan 0.000 0.442 274 I N 0.950 121.551 120.570 0.052 0.000 2.286 274 I HA -0.182 3.988 4.170 0.001 0.000 0.248 274 I C 1.331 177.446 176.117 -0.005 0.000 1.115 274 I CA 1.157 62.488 61.300 0.053 0.000 1.392 274 I CB -0.725 37.295 38.000 0.032 0.000 1.065 274 I HN 0.147 nan 8.210 nan 0.000 0.418 275 L N 1.136 122.347 121.223 -0.020 0.000 2.805 275 L HA 0.103 4.444 4.340 0.001 0.000 0.237 275 L C -0.076 176.769 176.870 -0.041 0.000 1.252 275 L CA -0.156 54.666 54.840 -0.031 0.000 1.064 275 L CB -0.747 41.296 42.059 -0.028 0.000 1.361 275 L HN 0.200 nan 8.230 nan 0.000 0.474 276 D N 1.299 121.665 120.400 -0.057 0.000 2.706 276 D HA -0.241 4.400 4.640 0.001 0.000 0.230 276 D C 0.583 176.827 176.300 -0.094 0.000 1.184 276 D CA 1.182 55.133 54.000 -0.082 0.000 0.628 276 D CB -0.322 40.446 40.800 -0.053 0.000 1.019 276 D HN 0.485 nan 8.370 nan 0.000 0.415 277 M N -0.429 119.091 119.600 -0.133 0.000 2.869 277 M HA 0.018 4.498 4.480 0.001 0.000 0.353 277 M C 1.616 177.754 176.300 -0.270 0.000 1.224 277 M CA -0.103 55.143 55.300 -0.090 0.000 0.917 277 M CB 0.551 33.141 32.600 -0.016 0.000 1.322 277 M HN -0.018 nan 8.290 nan 0.000 0.516 278 T N -2.959 111.273 114.554 -0.537 0.000 3.072 278 T HA -0.022 4.328 4.350 0.001 0.000 0.266 278 T C 1.344 175.793 174.700 -0.417 0.000 1.127 278 T CA 0.842 62.281 62.100 -1.101 0.000 1.107 278 T CB -0.003 68.320 68.868 -0.908 0.000 0.910 278 T HN 0.467 nan 8.240 nan 0.000 0.513 279 Q N -0.030 119.685 119.800 -0.143 0.000 2.247 279 Q HA 0.139 4.480 4.340 0.001 0.000 0.204 279 Q C 0.002 176.059 176.000 0.095 0.000 0.872 279 Q CA -0.255 55.548 55.803 0.001 0.000 0.951 279 Q CB 0.331 29.056 28.738 -0.020 0.000 1.099 279 Q HN 0.609 nan 8.270 nan 0.000 0.501 280 H N 0.962 120.065 119.070 0.055 0.000 2.525 280 H HA 0.103 4.659 4.556 0.001 0.000 0.339 280 H C -1.968 173.472 175.328 0.186 0.000 1.109 280 H CA -1.907 54.208 56.048 0.110 0.000 1.352 280 H CB 1.659 31.489 29.762 0.113 0.000 1.461 280 H HN -0.156 nan 8.280 nan 0.000 0.533 281 P HA -0.222 nan 4.420 nan 0.000 0.214 281 P C 1.221 178.763 177.300 0.404 0.000 1.169 281 P CA 2.714 65.936 63.100 0.203 0.000 0.908 281 P CB -0.099 31.612 31.700 0.018 0.000 0.791 282 A N -1.362 121.837 122.820 0.632 0.000 1.927 282 A HA -0.267 4.054 4.320 0.001 0.000 0.220 282 A C 2.178 180.027 177.584 0.442 0.000 1.185 282 A CA 2.069 54.355 52.037 0.416 0.000 0.639 282 A CB -1.891 17.297 19.000 0.313 0.000 0.820 282 A HN 0.225 nan 8.150 nan 0.000 0.451 283 F N 0.659 120.817 119.950 0.346 0.000 2.128 283 F HA -0.110 4.418 4.527 0.001 0.000 0.295 283 F C 2.002 177.998 175.800 0.327 0.000 1.100 283 F CA 1.370 59.560 58.000 0.318 0.000 1.260 283 F CB -0.106 39.018 39.000 0.208 0.000 1.009 283 F HN 0.142 nan 8.300 nan 0.000 0.476 284 I N 0.804 121.674 120.570 0.501 0.000 2.099 284 I HA -0.299 3.871 4.170 0.001 0.000 0.239 284 I C 2.381 178.660 176.117 0.269 0.000 1.066 284 I CA 1.651 63.177 61.300 0.376 0.000 1.324 284 I CB -1.545 36.642 38.000 0.312 0.000 1.037 284 I HN 0.158 nan 8.210 nan 0.000 0.401 285 K N 1.503 122.036 120.400 0.221 0.000 2.103 285 K HA -0.130 4.190 4.320 0.001 0.000 0.207 285 K C 2.073 178.776 176.600 0.172 0.000 1.048 285 K CA 1.738 58.118 56.287 0.154 0.000 0.930 285 K CB -0.885 31.668 32.500 0.087 0.000 0.716 285 K HN 0.338 nan 8.250 nan 0.000 0.444 286 G N 0.218 109.146 108.800 0.213 0.000 2.408 286 G HA2 -0.253 3.707 3.960 0.001 0.000 0.217 286 G HA3 -0.253 3.707 3.960 0.001 0.000 0.217 286 G C 1.390 176.580 174.900 0.483 0.000 1.150 286 G CA 0.679 46.008 45.100 0.381 0.000 0.776 286 G HN 0.522 nan 8.290 nan 0.000 0.542 287 W N 2.291 123.587 121.300 -0.007 0.000 2.380 287 W HA -0.113 4.548 4.660 0.001 0.000 0.317 287 W C 2.468 179.033 176.519 0.076 0.000 1.196 287 W CA 1.640 58.923 57.345 -0.104 0.000 1.307 287 W CB -0.146 29.148 29.460 -0.276 0.000 1.157 287 W HN 0.515 nan 8.180 nan 0.000 0.483 288 E N 0.052 120.254 120.200 0.003 0.000 2.265 288 E HA -0.096 4.255 4.350 0.001 0.000 0.196 288 E C 2.195 178.824 176.600 0.048 0.000 0.996 288 E CA 1.321 57.674 56.400 -0.078 0.000 0.832 288 E CB -1.154 28.608 29.700 0.102 0.000 0.756 288 E HN 0.275 nan 8.360 nan 0.000 0.491 289 G N 2.028 110.962 108.800 0.222 0.000 2.450 289 G HA2 -0.228 3.732 3.960 0.001 0.000 0.220 289 G HA3 -0.228 3.732 3.960 0.001 0.000 0.220 289 G C 1.597 176.855 174.900 0.597 0.000 1.130 289 G CA 0.756 46.098 45.100 0.404 0.000 0.760 289 G HN 0.173 nan 8.290 nan 0.000 0.557 290 L N 0.224 121.668 121.223 0.369 0.000 2.021 290 L HA -0.166 4.175 4.340 0.001 0.000 0.215 290 L C 2.944 179.967 176.870 0.254 0.000 1.074 290 L CA 1.399 56.294 54.840 0.091 0.000 0.760 290 L CB -0.388 41.508 42.059 -0.271 0.000 0.889 290 L HN 0.150 nan 8.230 nan 0.000 0.433 291 E N -0.051 120.230 120.200 0.137 0.000 2.114 291 E HA -0.289 4.062 4.350 0.001 0.000 0.199 291 E C 2.099 178.826 176.600 0.212 0.000 1.008 291 E CA 1.369 57.867 56.400 0.162 0.000 0.810 291 E CB -0.561 29.187 29.700 0.080 0.000 0.739 291 E HN 0.328 nan 8.360 nan 0.000 0.456 292 L N 0.024 121.416 121.223 0.281 0.000 2.187 292 L HA -0.192 4.149 4.340 0.001 0.000 0.213 292 L C 1.747 178.732 176.870 0.191 0.000 1.100 292 L CA 1.621 56.621 54.840 0.266 0.000 0.765 292 L CB -0.440 41.799 42.059 0.300 0.000 0.904 292 L HN 0.069 nan 8.230 nan 0.000 0.437 293 Y N -0.597 119.705 120.300 0.004 0.000 2.500 293 Y HA 0.366 4.917 4.550 0.001 0.000 0.270 293 Y C 1.747 177.290 175.900 -0.596 0.000 1.134 293 Y CA -0.181 57.736 58.100 -0.304 0.000 1.293 293 Y CB -0.774 37.301 38.460 -0.641 0.000 1.063 293 Y HN 0.151 nan 8.280 nan 0.000 0.534 294 G N 0.168 108.832 108.800 -0.226 0.000 2.606 294 G HA2 0.439 4.400 3.960 0.001 0.000 0.252 294 G HA3 0.439 4.400 3.960 0.001 0.000 0.252 294 G C -1.115 173.515 174.900 -0.450 0.000 1.206 294 G CA -0.137 44.737 45.100 -0.377 0.000 0.861 294 G HN -0.084 nan 8.290 nan 0.000 0.561 295 V N 1.041 120.472 119.914 -0.804 0.000 2.655 295 V HA 0.232 4.352 4.120 0.001 0.000 0.301 295 V C -0.775 175.047 176.094 -0.452 0.000 1.082 295 V CA -0.999 60.984 62.300 -0.528 0.000 0.899 295 V CB 1.839 33.349 31.823 -0.522 0.000 1.014 295 V HN 0.724 nan 8.190 nan 0.000 0.429 296 E N 4.416 124.508 120.200 -0.181 0.000 2.290 296 E HA 0.390 4.740 4.350 0.001 0.000 0.277 296 E C -0.745 175.735 176.600 -0.199 0.000 1.035 296 E CA -0.117 56.233 56.400 -0.084 0.000 0.873 296 E CB 1.657 31.347 29.700 -0.017 0.000 1.029 296 E HN 0.490 nan 8.360 nan 0.000 0.419 297 L N 2.929 123.986 121.223 -0.276 0.000 2.289 297 L HA 0.097 4.438 4.340 0.001 0.000 0.285 297 L C 1.374 178.017 176.870 -0.378 0.000 1.049 297 L CA -0.590 53.990 54.840 -0.433 0.000 0.804 297 L CB 0.966 42.540 42.059 -0.808 0.000 1.195 297 L HN 0.465 nan 8.230 nan 0.000 0.428 298 D N 0.891 121.153 120.400 -0.231 0.000 2.239 298 D HA -0.321 4.319 4.640 0.001 0.000 0.202 298 D C 1.222 177.511 176.300 -0.019 0.000 0.993 298 D CA 1.603 55.550 54.000 -0.088 0.000 0.874 298 D CB -0.323 40.471 40.800 -0.010 0.000 0.922 298 D HN 0.643 nan 8.370 nan 0.000 0.464 299 Y N -2.178 118.139 120.300 0.029 0.000 2.495 299 Y HA 0.551 5.102 4.550 0.001 0.000 0.293 299 Y C 1.691 177.635 175.900 0.074 0.000 1.186 299 Y CA -0.682 57.453 58.100 0.058 0.000 1.266 299 Y CB -0.020 38.492 38.460 0.086 0.000 1.101 299 Y HN 0.073 nan 8.280 nan 0.000 0.517 300 G N -0.644 108.136 108.800 -0.033 0.000 2.254 300 G HA2 -0.239 3.721 3.960 0.001 0.000 0.225 300 G HA3 -0.239 3.721 3.960 0.001 0.000 0.225 300 G C 0.861 175.761 174.900 0.000 0.000 1.003 300 G CA -0.256 44.867 45.100 0.038 0.000 0.622 300 G HN 0.953 nan 8.290 nan 0.000 0.507 301 G N -0.948 107.741 108.800 -0.185 0.000 2.651 301 G HA2 0.434 4.394 3.960 0.001 0.000 0.260 301 G HA3 0.434 4.394 3.960 0.001 0.000 0.260 301 G C -0.595 174.274 174.900 -0.051 0.000 1.216 301 G CA 0.207 45.288 45.100 -0.032 0.000 0.913 301 G HN 1.125 nan 8.290 nan 0.000 0.535 302 W N 1.245 122.421 121.300 -0.207 0.000 3.211 302 W HA 0.602 5.262 4.660 0.001 0.000 0.335 302 W C -0.463 175.766 176.519 -0.483 0.000 1.113 302 W CA -1.083 56.088 57.345 -0.290 0.000 1.235 302 W CB 1.406 30.746 29.460 -0.199 0.000 1.365 302 W HN 0.697 nan 8.180 nan 0.000 0.476 303 M N 5.179 124.030 119.600 -1.248 0.000 2.602 303 M HA 0.692 5.172 4.480 0.001 0.000 0.312 303 M C -2.021 173.384 176.300 -1.491 0.000 1.181 303 M CA -0.830 53.670 55.300 -1.334 0.000 0.910 303 M CB 2.680 34.655 32.600 -1.041 0.000 1.723 303 M HN 0.427 nan 8.290 nan 0.000 0.459 304 F N 1.825 121.103 119.950 -1.120 0.000 2.444 304 F HA 0.462 4.989 4.527 0.001 0.000 0.342 304 F C -0.559 175.045 175.800 -0.328 0.000 1.121 304 F CA -0.278 57.273 58.000 -0.748 0.000 0.997 304 F CB 1.753 40.471 39.000 -0.470 0.000 1.130 304 F HN 0.690 nan 8.300 nan 0.000 0.454 305 Q N 4.638 124.157 119.800 -0.468 0.000 2.304 305 Q HA 0.365 4.706 4.340 0.001 0.000 0.260 305 Q C 0.878 176.980 176.000 0.171 0.000 0.965 305 Q CA 0.113 55.841 55.803 -0.125 0.000 0.898 305 Q CB 1.581 30.244 28.738 -0.125 0.000 1.196 305 Q HN 0.911 nan 8.270 nan 0.000 0.402 306 A N 2.345 125.303 122.820 0.231 0.000 2.019 306 A HA -0.057 4.263 4.320 0.001 0.000 0.219 306 A C 0.908 178.704 177.584 0.352 0.000 1.164 306 A CA 1.460 53.683 52.037 0.311 0.000 0.644 306 A CB 0.251 19.460 19.000 0.349 0.000 0.805 306 A HN 0.589 nan 8.150 nan 0.000 0.449 307 S N -2.421 113.495 115.700 0.360 0.000 2.645 307 S HA 0.501 4.972 4.470 0.001 0.000 0.268 307 S C -1.416 173.393 174.600 0.348 0.000 1.110 307 S CA -0.222 58.268 58.200 0.483 0.000 0.823 307 S CB 0.278 63.750 63.200 0.455 0.000 1.091 307 S HN 0.890 nan 8.310 nan 0.000 0.466 308 I N 0.831 121.549 120.570 0.247 0.000 2.530 308 I HA 0.757 4.927 4.170 0.001 0.000 0.297 308 I C 0.068 175.898 176.117 -0.478 0.000 1.011 308 I CA -0.674 60.623 61.300 -0.005 0.000 1.107 308 I CB 2.383 40.254 38.000 -0.216 0.000 1.285 308 I HN 0.582 nan 8.210 nan 0.000 0.436 309 S N 3.142 118.558 115.700 -0.474 0.000 2.525 309 S HA 0.400 4.871 4.470 0.001 0.000 0.242 309 S C -1.600 172.720 174.600 -0.465 0.000 1.164 309 S CA -1.000 56.632 58.200 -0.947 0.000 1.154 309 S CB -0.366 62.613 63.200 -0.368 0.000 0.875 309 S HN 0.680 nan 8.310 nan 0.000 0.482 310 P HA -0.127 nan 4.420 nan 0.000 0.214 310 P C 1.575 178.760 177.300 -0.193 0.000 1.163 310 P CA 1.022 63.697 63.100 -0.709 0.000 0.883 310 P CB -0.074 30.542 31.700 -1.808 0.000 0.788 311 V N 0.115 119.948 119.914 -0.135 0.000 2.233 311 V HA -0.225 3.895 4.120 0.001 0.000 0.247 311 V C 2.599 178.800 176.094 0.178 0.000 1.050 311 V CA 2.135 64.532 62.300 0.161 0.000 1.010 311 V CB -1.730 30.168 31.823 0.123 0.000 0.637 311 V HN 0.213 nan 8.190 nan 0.000 0.444 312 W N 1.217 122.494 121.300 -0.038 0.000 2.302 312 W HA -0.258 4.403 4.660 0.001 0.000 0.320 312 W C 2.311 178.887 176.519 0.096 0.000 1.241 312 W CA 2.284 59.694 57.345 0.108 0.000 1.264 312 W CB -0.274 29.381 29.460 0.326 0.000 1.154 312 W HN 0.375 nan 8.180 nan 0.000 0.483 313 D N -0.311 120.173 120.400 0.140 0.000 2.092 313 D HA -0.180 4.461 4.640 0.001 0.000 0.193 313 D C 2.045 178.316 176.300 -0.049 0.000 0.994 313 D CA 2.532 56.563 54.000 0.052 0.000 0.828 313 D CB -0.860 40.077 40.800 0.228 0.000 0.963 313 D HN 0.125 nan 8.370 nan 0.000 0.450 314 T N 0.531 115.154 114.554 0.115 0.000 2.665 314 T HA -0.145 4.206 4.350 0.001 0.000 0.268 314 T C 1.988 176.662 174.700 -0.043 0.000 1.035 314 T CA 1.683 63.912 62.100 0.214 0.000 1.151 314 T CB -0.807 68.231 68.868 0.283 0.000 0.862 314 T HN 0.285 nan 8.240 nan 0.000 0.438 315 G N 1.504 110.228 108.800 -0.127 0.000 2.491 315 G HA2 -0.191 3.770 3.960 0.001 0.000 0.218 315 G HA3 -0.191 3.770 3.960 0.001 0.000 0.218 315 G C 1.496 176.092 174.900 -0.507 0.000 1.180 315 G CA 0.805 45.727 45.100 -0.297 0.000 0.774 315 G HN 0.467 nan 8.290 nan 0.000 0.562 316 L N 0.680 121.511 121.223 -0.655 0.000 2.093 316 L HA -0.024 4.317 4.340 0.001 0.000 0.208 316 L C 3.449 179.906 176.870 -0.688 0.000 1.085 316 L CA 0.874 55.254 54.840 -0.766 0.000 0.755 316 L CB -0.547 40.959 42.059 -0.922 0.000 0.904 316 L HN 0.316 nan 8.230 nan 0.000 0.435 317 A N 0.075 122.485 122.820 -0.684 0.000 1.892 317 A HA -0.183 4.137 4.320 0.001 0.000 0.218 317 A C 2.358 179.456 177.584 -0.810 0.000 1.188 317 A CA 2.149 53.619 52.037 -0.946 0.000 0.631 317 A CB -0.892 17.160 19.000 -1.580 0.000 0.822 317 A HN 0.196 nan 8.150 nan 0.000 0.447 318 V N 0.030 119.598 119.914 -0.576 0.000 2.237 318 V HA -0.264 3.857 4.120 0.001 0.000 0.245 318 V C 2.553 178.407 176.094 -0.400 0.000 1.046 318 V CA 1.984 64.058 62.300 -0.376 0.000 1.007 318 V CB -0.903 30.784 31.823 -0.226 0.000 0.638 318 V HN 0.588 nan 8.190 nan 0.000 0.445 319 L N 0.080 120.998 121.223 -0.509 0.000 2.089 319 L HA -0.265 4.075 4.340 0.001 0.000 0.213 319 L C 2.647 179.269 176.870 -0.414 0.000 1.079 319 L CA 1.705 56.206 54.840 -0.565 0.000 0.758 319 L CB -0.787 40.750 42.059 -0.870 0.000 0.891 319 L HN 0.415 nan 8.230 nan 0.000 0.433 320 A N -0.031 122.534 122.820 -0.424 0.000 1.854 320 A HA -0.119 4.202 4.320 0.001 0.000 0.214 320 A C 2.216 179.659 177.584 -0.235 0.000 1.192 320 A CA 1.161 53.006 52.037 -0.320 0.000 0.611 320 A CB -0.679 18.096 19.000 -0.374 0.000 0.832 320 A HN 0.321 nan 8.150 nan 0.000 0.442 321 L N -0.827 120.231 121.223 -0.275 0.000 2.079 321 L HA -0.206 4.134 4.340 0.001 0.000 0.210 321 L C 2.922 179.712 176.870 -0.132 0.000 1.081 321 L CA 1.040 55.764 54.840 -0.192 0.000 0.752 321 L CB -0.436 41.487 42.059 -0.226 0.000 0.896 321 L HN 0.302 nan 8.230 nan 0.000 0.433 322 R N 0.088 120.495 120.500 -0.154 0.000 2.061 322 R HA -0.041 4.299 4.340 0.001 0.000 0.230 322 R C 2.309 178.566 176.300 -0.071 0.000 1.140 322 R CA 1.499 57.538 56.100 -0.101 0.000 0.940 322 R CB -1.090 29.134 30.300 -0.127 0.000 0.839 322 R HN 0.306 nan 8.270 nan 0.000 0.429 323 A N 1.199 123.963 122.820 -0.094 0.000 2.139 323 A HA -0.099 4.222 4.320 0.001 0.000 0.221 323 A C 2.267 179.833 177.584 -0.029 0.000 1.159 323 A CA 1.810 53.817 52.037 -0.050 0.000 0.662 323 A CB -0.437 18.529 19.000 -0.057 0.000 0.796 323 A HN 0.399 nan 8.150 nan 0.000 0.463 324 A N -2.072 120.724 122.820 -0.040 0.000 1.874 324 A HA 0.382 4.702 4.320 0.001 0.000 0.214 324 A C 1.980 179.574 177.584 0.017 0.000 1.189 324 A CA 2.047 54.080 52.037 -0.007 0.000 0.615 324 A CB -0.455 18.537 19.000 -0.014 0.000 0.830 324 A HN 1.436 nan 8.150 nan 0.000 0.443 325 G N -2.217 106.589 108.800 0.010 0.000 3.758 325 G HA2 0.074 4.034 3.960 0.001 0.000 0.206 325 G HA3 0.074 4.034 3.960 0.001 0.000 0.206 325 G C 0.168 175.095 174.900 0.045 0.000 0.946 325 G CA -0.165 44.954 45.100 0.032 0.000 0.885 325 G HN 0.268 nan 8.290 nan 0.000 0.392 326 L N 2.565 123.817 121.223 0.048 0.000 2.640 326 L HA 0.120 4.461 4.340 0.001 0.000 0.300 326 L C -1.783 175.150 176.870 0.106 0.000 1.259 326 L CA -0.706 54.198 54.840 0.107 0.000 0.879 326 L CB 0.012 42.091 42.059 0.033 0.000 1.125 326 L HN 0.079 nan 8.230 nan 0.000 0.507 327 P HA -0.039 nan 4.420 nan 0.000 0.266 327 P C 0.111 177.470 177.300 0.099 0.000 1.195 327 P CA 0.086 63.245 63.100 0.098 0.000 0.768 327 P CB 0.781 32.523 31.700 0.071 0.000 0.838 328 A N 2.984 125.841 122.820 0.061 0.000 2.131 328 A HA -0.177 4.144 4.320 0.001 0.000 0.220 328 A C 1.146 178.768 177.584 0.064 0.000 1.158 328 A CA 1.999 54.066 52.037 0.050 0.000 0.665 328 A CB -1.048 17.975 19.000 0.038 0.000 0.795 328 A HN 0.692 nan 8.150 nan 0.000 0.460 329 D N -3.092 117.351 120.400 0.071 0.000 2.501 329 D HA 0.034 4.675 4.640 0.001 0.000 0.224 329 D C 0.465 176.818 176.300 0.088 0.000 1.202 329 D CA -0.558 53.481 54.000 0.066 0.000 0.829 329 D CB -0.635 40.188 40.800 0.038 0.000 1.023 329 D HN 0.336 nan 8.370 nan 0.000 0.499 330 H N 2.508 121.588 119.070 0.017 0.000 3.216 330 H HA -0.080 4.476 4.556 0.001 0.000 0.283 330 H C 1.132 176.470 175.328 0.017 0.000 0.921 330 H CA 0.936 56.995 56.048 0.017 0.000 1.419 330 H CB 0.713 30.488 29.762 0.021 0.000 1.460 330 H HN 0.326 nan 8.280 nan 0.000 0.553 331 D N 4.391 124.847 120.400 0.092 0.000 2.239 331 D HA -0.242 4.398 4.640 0.001 0.000 0.202 331 D C 1.729 178.144 176.300 0.192 0.000 0.993 331 D CA 0.944 55.008 54.000 0.108 0.000 0.874 331 D CB 0.103 40.910 40.800 0.012 0.000 0.922 331 D HN 0.350 nan 8.370 nan 0.000 0.464 332 R N 0.124 120.883 120.500 0.432 0.000 2.127 332 R HA 0.224 4.565 4.340 0.001 0.000 0.217 332 R C 2.399 178.734 176.300 0.058 0.000 1.074 332 R CA 0.411 56.604 56.100 0.156 0.000 0.991 332 R CB -0.456 29.882 30.300 0.063 0.000 0.895 332 R HN 0.247 nan 8.270 nan 0.000 0.450 333 L N -0.380 120.896 121.223 0.088 0.000 2.395 333 L HA -0.001 4.340 4.340 0.001 0.000 0.218 333 L C 1.708 178.634 176.870 0.094 0.000 1.130 333 L CA 0.240 55.128 54.840 0.080 0.000 0.826 333 L CB -0.021 42.066 42.059 0.047 0.000 0.941 333 L HN -0.014 nan 8.230 nan 0.000 0.451 334 V N -0.616 119.357 119.914 0.099 0.000 2.488 334 V HA -0.167 3.953 4.120 0.001 0.000 0.246 334 V C 2.479 178.623 176.094 0.083 0.000 1.046 334 V CA 1.182 63.534 62.300 0.086 0.000 1.053 334 V CB -0.425 31.444 31.823 0.076 0.000 0.679 334 V HN 0.347 nan 8.190 nan 0.000 0.458 335 K N 0.751 121.185 120.400 0.056 0.000 2.103 335 K HA -0.147 4.173 4.320 0.001 0.000 0.207 335 K C 2.263 178.919 176.600 0.092 0.000 1.048 335 K CA 1.683 57.992 56.287 0.036 0.000 0.930 335 K CB -0.670 31.796 32.500 -0.058 0.000 0.716 335 K HN 0.493 nan 8.250 nan 0.000 0.444 336 A N 0.962 123.834 122.820 0.086 0.000 1.855 336 A HA -0.036 4.285 4.320 0.001 0.000 0.215 336 A C 2.517 180.254 177.584 0.255 0.000 1.191 336 A CA 1.960 54.105 52.037 0.180 0.000 0.613 336 A CB -1.171 17.958 19.000 0.215 0.000 0.829 336 A HN 0.361 nan 8.150 nan 0.000 0.442 337 G N -0.133 108.768 108.800 0.167 0.000 2.491 337 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 337 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 337 G C 1.386 176.381 174.900 0.159 0.000 1.180 337 G CA 1.164 46.348 45.100 0.140 0.000 0.774 337 G HN 0.485 nan 8.290 nan 0.000 0.562 338 E N -0.196 120.096 120.200 0.152 0.000 2.058 338 E HA -0.183 4.168 4.350 0.001 0.000 0.194 338 E C 2.029 178.732 176.600 0.172 0.000 0.997 338 E CA 1.150 57.632 56.400 0.136 0.000 0.801 338 E CB -0.480 29.291 29.700 0.118 0.000 0.746 338 E HN 0.676 nan 8.360 nan 0.000 0.450 339 W N 1.738 123.071 121.300 0.055 0.000 2.333 339 W HA -0.182 4.479 4.660 0.001 0.000 0.316 339 W C 2.197 178.767 176.519 0.085 0.000 1.215 339 W CA 1.605 58.992 57.345 0.071 0.000 1.278 339 W CB -0.535 28.987 29.460 0.103 0.000 1.154 339 W HN -0.014 nan 8.180 nan 0.000 0.486 340 L N 0.051 121.432 121.223 0.264 0.000 2.079 340 L HA -0.274 4.066 4.340 0.001 0.000 0.210 340 L C 2.484 179.420 176.870 0.109 0.000 1.081 340 L CA 1.274 56.183 54.840 0.116 0.000 0.752 340 L CB -0.973 41.180 42.059 0.158 0.000 0.896 340 L HN 0.091 nan 8.230 nan 0.000 0.433 341 L N -0.613 120.670 121.223 0.100 0.000 2.131 341 L HA -0.217 4.123 4.340 0.001 0.000 0.210 341 L C 1.859 178.720 176.870 -0.016 0.000 1.092 341 L CA 1.009 55.907 54.840 0.096 0.000 0.759 341 L CB -0.550 41.554 42.059 0.075 0.000 0.903 341 L HN 0.316 nan 8.230 nan 0.000 0.435 342 D N -0.443 119.892 120.400 -0.109 0.000 2.363 342 D HA -0.069 4.572 4.640 0.001 0.000 0.220 342 D C 2.138 178.274 176.300 -0.273 0.000 0.994 342 D CA 0.444 54.332 54.000 -0.187 0.000 0.890 342 D CB 0.132 40.805 40.800 -0.212 0.000 0.906 342 D HN 0.242 nan 8.370 nan 0.000 0.530 343 R N 0.493 120.825 120.500 -0.280 0.000 2.128 343 R HA 0.046 4.386 4.340 0.001 0.000 0.211 343 R C 1.040 177.144 176.300 -0.327 0.000 1.067 343 R CA -0.053 55.871 56.100 -0.294 0.000 1.010 343 R CB -0.528 29.611 30.300 -0.267 0.000 0.922 343 R HN 0.301 nan 8.270 nan 0.000 0.457 344 Q N 1.596 121.114 119.800 -0.471 0.000 2.485 344 Q HA -0.101 4.239 4.340 0.001 0.000 0.348 344 Q C -0.456 175.165 176.000 -0.631 0.000 1.097 344 Q CA 0.381 55.541 55.803 -1.072 0.000 1.079 344 Q CB 0.443 28.690 28.738 -0.819 0.000 1.108 344 Q HN -0.015 nan 8.270 nan 0.000 0.400 345 I N 3.994 124.169 120.570 -0.659 0.000 2.472 345 I HA 0.072 4.242 4.170 0.001 0.000 0.290 345 I C 1.135 177.061 176.117 -0.319 0.000 1.016 345 I CA 0.175 61.230 61.300 -0.408 0.000 1.348 345 I CB 0.945 38.728 38.000 -0.361 0.000 1.417 345 I HN 0.867 nan 8.210 nan 0.000 0.521 346 T N 1.419 115.853 114.554 -0.200 0.000 3.288 346 T HA 0.416 4.766 4.350 0.001 0.000 0.293 346 T C -0.142 174.535 174.700 -0.039 0.000 1.008 346 T CA -0.355 61.677 62.100 -0.114 0.000 0.929 346 T CB -0.598 68.208 68.868 -0.104 0.000 1.152 346 T HN 0.423 nan 8.240 nan 0.000 0.517 347 V N -2.490 117.412 119.914 -0.020 0.000 2.962 347 V HA 0.821 4.942 4.120 0.001 0.000 0.313 347 V C -3.231 172.920 176.094 0.095 0.000 1.099 347 V CA -3.206 59.107 62.300 0.022 0.000 0.971 347 V CB 1.531 33.344 31.823 -0.017 0.000 1.028 347 V HN -0.104 nan 8.190 nan 0.000 0.430 348 P HA 0.392 nan 4.420 nan 0.000 0.265 348 P C 0.225 177.363 177.300 -0.270 0.000 1.193 348 P CA 0.807 63.758 63.100 -0.248 0.000 0.765 348 P CB 0.642 32.176 31.700 -0.276 0.000 0.823 349 G N 1.325 109.694 108.800 -0.717 0.000 2.887 349 G HA2 0.146 4.107 3.960 0.001 0.000 0.277 349 G HA3 0.146 4.107 3.960 0.001 0.000 0.277 349 G C 0.332 174.867 174.900 -0.609 0.000 1.346 349 G CA -0.426 44.428 45.100 -0.410 0.000 1.058 349 G HN 0.287 nan 8.290 nan 0.000 0.535 350 D N -0.149 120.099 120.400 -0.252 0.000 2.309 350 D HA -0.092 4.549 4.640 0.001 0.000 0.212 350 D C 2.168 178.496 176.300 0.048 0.000 0.968 350 D CA 0.979 54.977 54.000 -0.003 0.000 0.882 350 D CB -0.033 40.969 40.800 0.337 0.000 0.918 350 D HN 0.663 nan 8.370 nan 0.000 0.503 351 W N 0.872 122.309 121.300 0.228 0.000 2.465 351 W HA 0.115 4.776 4.660 0.001 0.000 0.268 351 W C 1.662 178.278 176.519 0.161 0.000 1.242 351 W CA 0.593 58.084 57.345 0.244 0.000 1.248 351 W CB -0.888 28.795 29.460 0.371 0.000 1.118 351 W HN -0.107 nan 8.180 nan 0.000 0.587 352 A N 1.582 124.006 122.820 -0.661 0.000 2.070 352 A HA -0.042 4.279 4.320 0.001 0.000 0.220 352 A C 2.143 179.608 177.584 -0.197 0.000 1.159 352 A CA 1.876 53.577 52.037 -0.559 0.000 0.656 352 A CB -0.828 17.685 19.000 -0.813 0.000 0.800 352 A HN 0.136 nan 8.150 nan 0.000 0.453 353 V N -0.220 119.581 119.914 -0.188 0.000 2.720 353 V HA -0.177 3.943 4.120 0.001 0.000 0.256 353 V C 2.192 178.237 176.094 -0.081 0.000 1.082 353 V CA 1.990 64.172 62.300 -0.198 0.000 1.101 353 V CB -0.448 31.133 31.823 -0.403 0.000 0.693 353 V HN 0.424 nan 8.190 nan 0.000 0.479 354 K N -0.501 119.913 120.400 0.023 0.000 2.367 354 K HA 0.237 4.558 4.320 0.001 0.000 0.195 354 K C 0.664 177.321 176.600 0.094 0.000 1.060 354 K CA 0.174 56.498 56.287 0.062 0.000 1.022 354 K CB 0.597 33.159 32.500 0.102 0.000 0.894 354 K HN 0.236 nan 8.250 nan 0.000 0.540 355 R N 0.671 121.264 120.500 0.155 0.000 2.653 355 R HA 0.216 4.557 4.340 0.001 0.000 0.269 355 R C -2.357 174.057 176.300 0.190 0.000 1.603 355 R CA -1.486 54.733 56.100 0.198 0.000 1.671 355 R CB 0.969 31.451 30.300 0.303 0.000 1.300 355 R HN -0.121 nan 8.270 nan 0.000 0.668 356 P HA -0.050 nan 4.420 nan 0.000 0.220 356 P C 0.330 177.676 177.300 0.077 0.000 1.148 356 P CA 1.205 64.324 63.100 0.032 0.000 0.803 356 P CB 0.267 31.968 31.700 0.001 0.000 0.782 357 N N -1.137 117.625 118.700 0.104 0.000 2.268 357 N HA 0.089 4.830 4.740 0.001 0.000 0.204 357 N C -0.177 175.431 175.510 0.165 0.000 1.124 357 N CA -0.435 52.681 53.050 0.110 0.000 0.838 357 N CB 0.073 38.608 38.487 0.080 0.000 0.994 357 N HN 0.064 nan 8.380 nan 0.000 0.489 358 L N 1.640 123.018 121.223 0.258 0.000 2.312 358 L HA 0.268 4.609 4.340 0.001 0.000 0.281 358 L C -0.366 176.767 176.870 0.439 0.000 1.070 358 L CA -0.452 54.594 54.840 0.342 0.000 0.805 358 L CB 0.718 43.030 42.059 0.422 0.000 1.174 358 L HN -0.187 nan 8.230 nan 0.000 0.434 359 K N 5.733 126.343 120.400 0.351 0.000 2.234 359 K HA 0.394 4.715 4.320 0.001 0.000 0.282 359 K C -2.351 174.474 176.600 0.375 0.000 1.039 359 K CA -1.901 54.576 56.287 0.317 0.000 0.928 359 K CB 0.697 33.313 32.500 0.194 0.000 1.039 359 K HN 0.412 nan 8.250 nan 0.000 0.470 360 P HA 0.052 nan 4.420 nan 0.000 0.266 360 P C 0.451 177.679 177.300 -0.119 0.000 1.195 360 P CA 0.270 63.452 63.100 0.136 0.000 0.768 360 P CB 0.583 32.397 31.700 0.190 0.000 0.838 361 G N 1.216 109.733 108.800 -0.472 0.000 4.449 361 G HA2 0.232 4.192 3.960 0.001 0.000 0.195 361 G HA3 0.232 4.192 3.960 0.001 0.000 0.195 361 G C 0.376 174.947 174.900 -0.549 0.000 0.806 361 G CA 0.211 45.097 45.100 -0.356 0.000 0.774 361 G HN 0.756 nan 8.290 nan 0.000 0.508 362 G N -0.184 107.960 108.800 -1.093 0.000 2.563 362 G HA2 0.597 4.558 3.960 0.001 0.000 0.283 362 G HA3 0.597 4.558 3.960 0.001 0.000 0.283 362 G C -0.817 173.669 174.900 -0.689 0.000 1.309 362 G CA -0.579 43.958 45.100 -0.939 0.000 1.022 362 G HN 0.054 nan 8.290 nan 0.000 0.501 363 F N -1.163 118.609 119.950 -0.297 0.000 2.611 363 F HA 0.718 5.246 4.527 0.001 0.000 0.324 363 F C 0.672 176.447 175.800 -0.040 0.000 1.061 363 F CA -0.684 57.232 58.000 -0.139 0.000 0.954 363 F CB 1.941 40.910 39.000 -0.052 0.000 1.301 363 F HN 0.649 nan 8.300 nan 0.000 0.482 364 A N 0.568 123.505 122.820 0.196 0.000 2.282 364 A HA 0.557 4.878 4.320 0.001 0.000 0.324 364 A C 0.042 177.800 177.584 0.290 0.000 1.119 364 A CA -0.301 51.874 52.037 0.230 0.000 0.880 364 A CB 0.271 19.366 19.000 0.158 0.000 1.294 364 A HN 0.775 nan 8.150 nan 0.000 0.493 365 F N 0.036 120.067 119.950 0.134 0.000 2.149 365 F HA 0.002 4.530 4.527 0.001 0.000 0.294 365 F C 1.742 177.550 175.800 0.013 0.000 1.095 365 F CA 1.646 59.705 58.000 0.099 0.000 1.276 365 F CB -0.059 38.988 39.000 0.079 0.000 1.023 365 F HN 0.631 nan 8.300 nan 0.000 0.480 366 Q N -0.479 119.305 119.800 -0.027 0.000 2.270 366 Q HA 0.105 4.446 4.340 0.001 0.000 0.167 366 Q C 1.131 176.935 176.000 -0.327 0.000 1.023 366 Q CA -0.267 55.338 55.803 -0.329 0.000 1.070 366 Q CB -0.863 27.811 28.738 -0.106 0.000 1.504 366 Q HN 0.200 nan 8.270 nan 0.000 0.536 367 F N 0.717 120.517 119.950 -0.250 0.000 2.037 367 F HA -0.023 4.505 4.527 0.001 0.000 0.291 367 F C 0.916 176.592 175.800 -0.208 0.000 1.137 367 F CA 1.384 59.225 58.000 -0.264 0.000 1.178 367 F CB -0.159 38.646 39.000 -0.325 0.000 0.995 367 F HN 0.507 nan 8.300 nan 0.000 0.472 368 D N -0.548 119.884 120.400 0.054 0.000 2.438 368 D HA 0.190 4.830 4.640 0.001 0.000 0.257 368 D C -1.236 175.025 176.300 -0.065 0.000 1.148 368 D CA -0.100 53.868 54.000 -0.053 0.000 0.902 368 D CB -0.114 40.635 40.800 -0.085 0.000 1.062 368 D HN 0.028 nan 8.370 nan 0.000 0.518 369 N N 3.355 122.018 118.700 -0.061 0.000 2.722 369 N HA 0.052 4.793 4.740 0.001 0.000 0.242 369 N C 0.738 176.204 175.510 -0.074 0.000 1.398 369 N CA -0.430 52.607 53.050 -0.021 0.000 0.755 369 N CB 0.876 39.437 38.487 0.123 0.000 1.268 369 N HN 0.119 nan 8.380 nan 0.000 0.522 370 V N 0.296 120.038 119.914 -0.285 0.000 2.427 370 V HA -0.048 4.073 4.120 0.001 0.000 0.248 370 V C 1.148 177.053 176.094 -0.314 0.000 1.051 370 V CA 1.267 63.342 62.300 -0.375 0.000 1.048 370 V CB -1.091 30.385 31.823 -0.578 0.000 0.666 370 V HN 0.372 nan 8.190 nan 0.000 0.456 371 Y N -0.388 119.820 120.300 -0.153 0.000 2.578 371 Y HA 0.281 4.832 4.550 0.001 0.000 0.297 371 Y C 0.514 176.060 175.900 -0.589 0.000 1.176 371 Y CA -0.395 57.469 58.100 -0.395 0.000 1.315 371 Y CB -0.737 37.353 38.460 -0.618 0.000 1.031 371 Y HN 0.407 nan 8.280 nan 0.000 0.524 372 Y N 0.271 120.742 120.300 0.284 0.000 2.512 372 Y HA 0.326 4.877 4.550 0.001 0.000 0.326 372 Y C -2.607 173.540 175.900 0.412 0.000 1.008 372 Y CA -3.501 54.802 58.100 0.339 0.000 1.139 372 Y CB 0.321 38.875 38.460 0.157 0.000 1.137 372 Y HN -0.098 nan 8.280 nan 0.000 0.630 373 P HA 0.114 nan 4.420 nan 0.000 0.279 373 P C -0.608 176.950 177.300 0.430 0.000 1.239 373 P CA 0.086 63.323 63.100 0.228 0.000 0.789 373 P CB 1.754 33.294 31.700 -0.267 0.000 0.933 374 D N 1.629 122.205 120.400 0.295 0.000 2.248 374 D HA 0.092 4.732 4.640 0.001 0.000 0.246 374 D C 1.074 177.475 176.300 0.169 0.000 1.027 374 D CA -0.853 53.188 54.000 0.069 0.000 0.853 374 D CB 1.841 42.396 40.800 -0.409 0.000 1.243 374 D HN -0.005 nan 8.370 nan 0.000 0.462 375 V N 1.439 121.435 119.914 0.137 0.000 2.392 375 V HA -0.260 3.860 4.120 0.001 0.000 0.249 375 V C 2.048 178.161 176.094 0.031 0.000 1.059 375 V CA 1.908 64.275 62.300 0.112 0.000 1.051 375 V CB -0.605 31.201 31.823 -0.029 0.000 0.658 375 V HN 0.694 nan 8.190 nan 0.000 0.455 376 D N 0.045 120.426 120.400 -0.031 0.000 2.087 376 D HA -0.187 4.453 4.640 0.001 0.000 0.192 376 D C 2.006 178.459 176.300 0.254 0.000 0.993 376 D CA 1.615 55.654 54.000 0.065 0.000 0.828 376 D CB -0.193 40.516 40.800 -0.152 0.000 0.968 376 D HN 0.425 nan 8.370 nan 0.000 0.448 377 D N -0.410 120.136 120.400 0.244 0.000 2.097 377 D HA -0.114 4.527 4.640 0.001 0.000 0.195 377 D C 1.974 178.382 176.300 0.181 0.000 0.989 377 D CA 1.321 55.538 54.000 0.361 0.000 0.827 377 D CB -0.288 40.727 40.800 0.358 0.000 0.966 377 D HN 0.230 nan 8.370 nan 0.000 0.456 378 T N 1.332 116.011 114.554 0.209 0.000 2.653 378 T HA -0.209 4.141 4.350 0.001 0.000 0.268 378 T C 2.029 176.781 174.700 0.085 0.000 1.035 378 T CA 1.825 64.069 62.100 0.239 0.000 1.154 378 T CB -0.317 68.772 68.868 0.367 0.000 0.862 378 T HN 0.215 nan 8.240 nan 0.000 0.441 379 A N 0.908 123.756 122.820 0.046 0.000 1.855 379 A HA -0.032 4.288 4.320 0.001 0.000 0.215 379 A C 2.638 180.255 177.584 0.055 0.000 1.191 379 A CA 1.535 53.548 52.037 -0.039 0.000 0.613 379 A CB -1.034 17.879 19.000 -0.145 0.000 0.829 379 A HN 0.354 nan 8.150 nan 0.000 0.442 380 V N -0.213 119.748 119.914 0.078 0.000 2.343 380 V HA -0.231 3.890 4.120 0.001 0.000 0.247 380 V C 2.560 178.558 176.094 -0.160 0.000 1.051 380 V CA 1.955 64.248 62.300 -0.012 0.000 1.036 380 V CB -0.895 30.833 31.823 -0.159 0.000 0.654 380 V HN 0.364 nan 8.190 nan 0.000 0.451 381 V N -0.331 119.455 119.914 -0.213 0.000 2.237 381 V HA -0.221 3.899 4.120 0.001 0.000 0.245 381 V C 2.432 178.352 176.094 -0.289 0.000 1.046 381 V CA 1.973 64.036 62.300 -0.396 0.000 1.007 381 V CB -0.528 30.750 31.823 -0.908 0.000 0.638 381 V HN 0.380 nan 8.190 nan 0.000 0.445 382 V N -0.600 119.204 119.914 -0.183 0.000 2.231 382 V HA -0.321 3.800 4.120 0.001 0.000 0.248 382 V C 2.129 178.323 176.094 0.167 0.000 1.054 382 V CA 2.622 64.969 62.300 0.078 0.000 1.015 382 V CB -0.916 31.051 31.823 0.241 0.000 0.638 382 V HN 0.834 nan 8.190 nan 0.000 0.444 383 W N 1.330 122.576 121.300 -0.089 0.000 2.318 383 W HA -0.286 4.375 4.660 0.001 0.000 0.313 383 W C 2.475 178.883 176.519 -0.185 0.000 1.221 383 W CA 2.295 59.523 57.345 -0.196 0.000 1.266 383 W CB -1.013 28.310 29.460 -0.228 0.000 1.150 383 W HN 0.242 nan 8.180 nan 0.000 0.496 384 A N 0.599 123.248 122.820 -0.286 0.000 1.883 384 A HA -0.204 4.116 4.320 0.001 0.000 0.217 384 A C 2.354 179.835 177.584 -0.172 0.000 1.186 384 A CA 2.213 54.006 52.037 -0.407 0.000 0.624 384 A CB -1.201 17.564 19.000 -0.390 0.000 0.822 384 A HN 0.399 nan 8.150 nan 0.000 0.444 385 L N -0.493 120.686 121.223 -0.072 0.000 2.012 385 L HA -0.232 4.108 4.340 0.001 0.000 0.210 385 L C 2.425 179.327 176.870 0.053 0.000 1.073 385 L CA 1.689 56.537 54.840 0.013 0.000 0.748 385 L CB -0.668 41.430 42.059 0.064 0.000 0.891 385 L HN 0.519 nan 8.230 nan 0.000 0.431 386 N N -0.228 118.521 118.700 0.082 0.000 2.503 386 N HA -0.176 4.565 4.740 0.001 0.000 0.189 386 N C 1.384 176.915 175.510 0.034 0.000 1.048 386 N CA 1.523 54.622 53.050 0.081 0.000 0.905 386 N CB -0.008 38.413 38.487 -0.110 0.000 0.951 386 N HN 0.420 nan 8.380 nan 0.000 0.446 387 T N -3.054 111.503 114.554 0.003 0.000 3.134 387 T HA 0.310 4.661 4.350 0.001 0.000 0.260 387 T C 0.390 175.089 174.700 -0.001 0.000 1.027 387 T CA -0.395 61.702 62.100 -0.006 0.000 0.913 387 T CB -0.177 68.655 68.868 -0.059 0.000 1.046 387 T HN -0.035 nan 8.240 nan 0.000 0.553 388 L N 0.328 121.563 121.223 0.019 0.000 2.279 388 L HA 0.669 5.009 4.340 0.001 0.000 0.262 388 L C 0.188 177.088 176.870 0.050 0.000 1.019 388 L CA -1.494 53.365 54.840 0.032 0.000 0.823 388 L CB 1.943 44.022 42.059 0.032 0.000 1.358 388 L HN -0.111 nan 8.230 nan 0.000 0.432 389 R N 2.036 122.567 120.500 0.052 0.000 2.415 389 R HA 0.504 4.844 4.340 0.001 0.000 0.292 389 R C -1.244 175.088 176.300 0.053 0.000 1.295 389 R CA -0.451 55.681 56.100 0.052 0.000 1.137 389 R CB 1.044 31.372 30.300 0.046 0.000 1.135 389 R HN 0.472 nan 8.270 nan 0.000 0.560 390 L N 3.096 124.354 121.223 0.057 0.000 2.399 390 L HA 0.342 4.683 4.340 0.001 0.000 0.266 390 L C -1.214 175.684 176.870 0.047 0.000 1.114 390 L CA -2.026 52.847 54.840 0.056 0.000 0.804 390 L CB 0.851 42.948 42.059 0.064 0.000 1.146 390 L HN 0.121 nan 8.230 nan 0.000 0.451 391 P HA -0.187 nan 4.420 nan 0.000 0.216 391 P C -0.048 177.272 177.300 0.032 0.000 1.153 391 P CA 1.283 64.403 63.100 0.033 0.000 0.858 391 P CB 0.110 31.828 31.700 0.030 0.000 0.789 392 D N -0.485 119.936 120.400 0.036 0.000 2.518 392 D HA 0.009 4.650 4.640 0.001 0.000 0.230 392 D C 0.958 177.282 176.300 0.040 0.000 1.138 392 D CA -0.118 53.902 54.000 0.034 0.000 0.964 392 D CB -0.253 40.566 40.800 0.031 0.000 1.011 392 D HN -0.117 nan 8.370 nan 0.000 0.517 393 E N 1.683 121.907 120.200 0.040 0.000 2.396 393 E HA -0.185 4.165 4.350 0.001 0.000 0.200 393 E C 1.581 178.207 176.600 0.045 0.000 1.023 393 E CA 0.306 56.734 56.400 0.047 0.000 0.857 393 E CB 0.223 29.949 29.700 0.043 0.000 0.775 393 E HN 0.370 nan 8.360 nan 0.000 0.525 394 R N 1.492 122.014 120.500 0.036 0.000 2.061 394 R HA -0.057 4.283 4.340 0.001 0.000 0.230 394 R C 2.156 178.478 176.300 0.037 0.000 1.140 394 R CA 1.879 57.998 56.100 0.031 0.000 0.940 394 R CB -0.593 29.721 30.300 0.022 0.000 0.839 394 R HN 0.022 nan 8.270 nan 0.000 0.429 395 R N -0.168 120.355 120.500 0.038 0.000 2.115 395 R HA 0.004 4.344 4.340 0.001 0.000 0.226 395 R C 2.470 178.809 176.300 0.066 0.000 1.100 395 R CA 1.372 57.498 56.100 0.043 0.000 0.980 395 R CB -0.190 30.131 30.300 0.036 0.000 0.875 395 R HN 0.208 nan 8.270 nan 0.000 0.445 396 R N 0.070 120.614 120.500 0.073 0.000 2.073 396 R HA -0.174 4.167 4.340 0.001 0.000 0.234 396 R C 2.264 178.630 176.300 0.110 0.000 1.134 396 R CA 1.793 57.952 56.100 0.098 0.000 0.952 396 R CB -0.150 30.206 30.300 0.092 0.000 0.850 396 R HN -0.002 nan 8.270 nan 0.000 0.433 397 R N 0.927 121.480 120.500 0.088 0.000 2.080 397 R HA -0.162 4.179 4.340 0.001 0.000 0.236 397 R C 1.742 178.083 176.300 0.067 0.000 1.137 397 R CA 2.387 58.535 56.100 0.080 0.000 0.943 397 R CB -0.863 29.469 30.300 0.054 0.000 0.846 397 R HN 0.290 nan 8.270 nan 0.000 0.431 398 D N -0.696 119.737 120.400 0.055 0.000 2.092 398 D HA -0.106 4.534 4.640 0.001 0.000 0.193 398 D C 1.712 178.051 176.300 0.065 0.000 0.994 398 D CA 1.970 55.997 54.000 0.044 0.000 0.828 398 D CB -0.270 40.549 40.800 0.032 0.000 0.963 398 D HN 0.350 nan 8.370 nan 0.000 0.450 399 A N 0.248 123.121 122.820 0.088 0.000 1.865 399 A HA -0.237 4.083 4.320 0.001 0.000 0.217 399 A C 2.351 180.047 177.584 0.186 0.000 1.191 399 A CA 2.073 54.186 52.037 0.126 0.000 0.623 399 A CB -0.797 18.301 19.000 0.163 0.000 0.826 399 A HN 0.318 nan 8.150 nan 0.000 0.444 400 M N -0.792 118.930 119.600 0.204 0.000 2.106 400 M HA -0.183 4.298 4.480 0.001 0.000 0.259 400 M C 2.267 178.689 176.300 0.204 0.000 1.068 400 M CA 2.190 57.646 55.300 0.259 0.000 1.100 400 M CB -1.007 31.770 32.600 0.296 0.000 1.351 400 M HN 0.503 nan 8.290 nan 0.000 0.404 401 T N 0.552 115.162 114.554 0.094 0.000 2.708 401 T HA -0.143 4.208 4.350 0.001 0.000 0.266 401 T C 1.771 176.538 174.700 0.111 0.000 1.037 401 T CA 1.339 63.449 62.100 0.017 0.000 1.146 401 T CB -0.183 68.665 68.868 -0.034 0.000 0.865 401 T HN 0.393 nan 8.240 nan 0.000 0.435 402 K N 0.577 121.048 120.400 0.119 0.000 2.002 402 K HA -0.051 4.270 4.320 0.001 0.000 0.209 402 K C 2.682 179.410 176.600 0.213 0.000 1.048 402 K CA 1.355 57.720 56.287 0.130 0.000 0.930 402 K CB -0.655 31.882 32.500 0.061 0.000 0.714 402 K HN 0.379 nan 8.250 nan 0.000 0.438 403 G N 1.278 110.225 108.800 0.245 0.000 2.446 403 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 403 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 403 G C 1.351 176.493 174.900 0.403 0.000 1.168 403 G CA 0.634 45.935 45.100 0.336 0.000 0.771 403 G HN 0.194 nan 8.290 nan 0.000 0.551 404 F N 1.870 121.937 119.950 0.195 0.000 2.043 404 F HA -0.126 4.402 4.527 0.001 0.000 0.297 404 F C 2.916 178.837 175.800 0.203 0.000 1.121 404 F CA 1.965 60.070 58.000 0.174 0.000 1.199 404 F CB -0.418 38.552 39.000 -0.049 0.000 0.968 404 F HN 0.014 nan 8.300 nan 0.000 0.478 405 R N -1.405 119.431 120.500 0.559 0.000 2.127 405 R HA -0.253 4.087 4.340 0.001 0.000 0.238 405 R C 2.120 178.621 176.300 0.334 0.000 1.134 405 R CA 1.750 58.089 56.100 0.399 0.000 0.975 405 R CB -1.052 29.387 30.300 0.231 0.000 0.865 405 R HN 0.535 nan 8.270 nan 0.000 0.447 406 W N 1.497 122.878 121.300 0.134 0.000 2.379 406 W HA -0.085 4.575 4.660 0.001 0.000 0.307 406 W C 1.743 178.290 176.519 0.047 0.000 1.200 406 W CA 1.168 58.524 57.345 0.019 0.000 1.297 406 W CB -0.316 29.091 29.460 -0.088 0.000 1.140 406 W HN -0.100 nan 8.180 nan 0.000 0.507 407 I N 0.047 120.722 120.570 0.174 0.000 2.151 407 I HA -0.387 3.783 4.170 0.001 0.000 0.243 407 I C 2.154 178.352 176.117 0.136 0.000 1.080 407 I CA 1.776 63.050 61.300 -0.043 0.000 1.339 407 I CB -1.229 36.694 38.000 -0.128 0.000 1.039 407 I HN -0.168 nan 8.210 nan 0.000 0.409 408 V N 1.118 121.207 119.914 0.293 0.000 2.287 408 V HA -0.251 3.870 4.120 0.001 0.000 0.248 408 V C 2.493 178.727 176.094 0.235 0.000 1.053 408 V CA 2.235 64.773 62.300 0.396 0.000 1.027 408 V CB -1.562 30.502 31.823 0.401 0.000 0.646 408 V HN 0.611 nan 8.190 nan 0.000 0.447 409 G N -1.156 107.700 108.800 0.093 0.000 2.625 409 G HA2 -0.132 3.829 3.960 0.001 0.000 0.214 409 G HA3 -0.132 3.829 3.960 0.001 0.000 0.214 409 G C 1.307 176.143 174.900 -0.106 0.000 1.132 409 G CA 0.333 45.432 45.100 -0.002 0.000 0.782 409 G HN 0.346 nan 8.290 nan 0.000 0.538 410 M N -0.188 119.329 119.600 -0.138 0.000 2.465 410 M HA 0.178 4.659 4.480 0.001 0.000 0.249 410 M C 1.153 177.418 176.300 -0.058 0.000 1.130 410 M CA -0.154 55.037 55.300 -0.181 0.000 1.067 410 M CB -0.488 31.842 32.600 -0.450 0.000 1.394 410 M HN 0.293 nan 8.290 nan 0.000 0.483 411 Q N 1.575 121.327 119.800 -0.079 0.000 2.283 411 Q HA 0.013 4.354 4.340 0.001 0.000 0.301 411 Q C -0.385 175.281 176.000 -0.557 0.000 1.063 411 Q CA 0.306 55.581 55.803 -0.881 0.000 0.952 411 Q CB 0.761 28.960 28.738 -0.898 0.000 1.166 411 Q HN 0.177 nan 8.270 nan 0.000 0.381 412 S N 1.855 117.193 115.700 -0.603 0.000 2.655 412 S HA 0.083 4.554 4.470 0.001 0.000 0.265 412 S C 1.141 175.537 174.600 -0.340 0.000 1.240 412 S CA -0.501 57.485 58.200 -0.358 0.000 0.986 412 S CB 1.313 64.337 63.200 -0.294 0.000 0.985 412 S HN 0.788 nan 8.310 nan 0.000 0.562 413 S N 2.151 117.717 115.700 -0.223 0.000 2.374 413 S HA -0.193 4.278 4.470 0.001 0.000 0.227 413 S C 1.536 176.018 174.600 -0.197 0.000 1.037 413 S CA 1.924 60.017 58.200 -0.177 0.000 1.024 413 S CB -0.705 62.429 63.200 -0.111 0.000 0.861 413 S HN 0.845 nan 8.310 nan 0.000 0.456 414 N N 0.947 119.511 118.700 -0.226 0.000 2.571 414 N HA 0.189 4.930 4.740 0.001 0.000 0.189 414 N C 1.005 176.346 175.510 -0.280 0.000 1.154 414 N CA 0.851 53.781 53.050 -0.199 0.000 0.907 414 N CB -0.501 37.887 38.487 -0.165 0.000 0.977 414 N HN 0.413 nan 8.380 nan 0.000 0.449 415 G N -2.311 106.247 108.800 -0.403 0.000 2.176 415 G HA2 -0.182 3.779 3.960 0.001 0.000 0.253 415 G HA3 -0.182 3.779 3.960 0.001 0.000 0.253 415 G C 0.297 174.794 174.900 -0.671 0.000 0.979 415 G CA 0.015 44.834 45.100 -0.468 0.000 0.641 415 G HN 0.818 nan 8.290 nan 0.000 0.530 416 G N -1.712 106.572 108.800 -0.859 0.000 2.521 416 G HA2 0.543 4.503 3.960 0.001 0.000 0.323 416 G HA3 0.543 4.503 3.960 0.001 0.000 0.323 416 G C -0.515 173.975 174.900 -0.683 0.000 1.211 416 G CA -0.834 43.725 45.100 -0.902 0.000 0.979 416 G HN 0.232 nan 8.290 nan 0.000 0.490 417 W N 0.088 121.247 121.300 -0.234 0.000 2.656 417 W HA 0.523 5.183 4.660 0.001 0.000 0.327 417 W C 0.475 176.959 176.519 -0.058 0.000 1.041 417 W CA -0.743 56.519 57.345 -0.137 0.000 1.229 417 W CB 1.962 31.351 29.460 -0.117 0.000 1.397 417 W HN 0.813 nan 8.180 nan 0.000 0.479 418 G N 0.941 109.853 108.800 0.186 0.000 2.531 418 G HA2 0.449 4.410 3.960 0.001 0.000 0.253 418 G HA3 0.449 4.410 3.960 0.001 0.000 0.253 418 G C 0.462 175.481 174.900 0.199 0.000 1.439 418 G CA 0.421 45.645 45.100 0.206 0.000 1.056 418 G HN 0.488 nan 8.290 nan 0.000 0.555 419 A N -2.302 120.636 122.820 0.198 0.000 1.944 419 A HA 0.411 4.731 4.320 0.001 0.000 0.207 419 A C 1.816 179.275 177.584 -0.209 0.000 1.265 419 A CA 0.813 52.798 52.037 -0.087 0.000 0.712 419 A CB -0.070 18.837 19.000 -0.157 0.000 0.915 419 A HN 0.533 nan 8.150 nan 0.000 0.470 420 Y N -0.120 120.369 120.300 0.315 0.000 2.664 420 Y HA 0.262 4.813 4.550 0.001 0.000 0.278 420 Y C 0.268 176.380 175.900 0.354 0.000 1.130 420 Y CA -0.392 57.926 58.100 0.363 0.000 1.260 420 Y CB 0.459 39.161 38.460 0.403 0.000 1.369 420 Y HN 0.129 nan 8.280 nan 0.000 0.499 421 D N -0.525 120.133 120.400 0.431 0.000 2.414 421 D HA 0.451 5.092 4.640 0.001 0.000 0.241 421 D C -0.852 175.566 176.300 0.197 0.000 1.008 421 D CA -0.392 53.808 54.000 0.334 0.000 1.001 421 D CB 2.857 43.846 40.800 0.315 0.000 1.277 421 D HN -0.300 nan 8.370 nan 0.000 0.538 422 V N 1.104 121.107 119.914 0.149 0.000 2.481 422 V HA 0.090 4.210 4.120 0.001 0.000 0.286 422 V C 0.289 176.408 176.094 0.042 0.000 1.042 422 V CA -0.462 61.871 62.300 0.055 0.000 0.928 422 V CB 1.129 32.968 31.823 0.026 0.000 0.986 422 V HN 0.580 nan 8.190 nan 0.000 0.462 423 D N 2.486 122.881 120.400 -0.008 0.000 2.782 423 D HA -0.200 4.440 4.640 0.001 0.000 0.231 423 D C 0.674 176.988 176.300 0.024 0.000 1.163 423 D CA 0.749 54.742 54.000 -0.012 0.000 0.680 423 D CB -0.562 40.224 40.800 -0.024 0.000 1.062 423 D HN 0.759 nan 8.370 nan 0.000 0.425 424 N N 0.878 119.611 118.700 0.055 0.000 2.971 424 N HA -0.017 4.723 4.740 0.001 0.000 0.294 424 N C 0.540 176.071 175.510 0.034 0.000 1.210 424 N CA 0.664 53.751 53.050 0.062 0.000 1.157 424 N CB 0.033 38.577 38.487 0.096 0.000 1.450 424 N HN 0.208 nan 8.380 nan 0.000 0.527 425 T N -2.087 112.475 114.554 0.013 0.000 3.200 425 T HA 0.107 4.458 4.350 0.001 0.000 0.284 425 T C 0.606 175.293 174.700 -0.022 0.000 1.009 425 T CA -0.542 61.558 62.100 0.000 0.000 0.907 425 T CB -0.021 68.848 68.868 0.002 0.000 1.120 425 T HN 0.139 nan 8.240 nan 0.000 0.534 426 S N 1.109 116.786 115.700 -0.038 0.000 2.558 426 S HA 0.048 4.519 4.470 0.001 0.000 0.291 426 S C 0.775 175.320 174.600 -0.092 0.000 1.306 426 S CA 0.105 58.270 58.200 -0.057 0.000 1.056 426 S CB 0.519 63.670 63.200 -0.082 0.000 0.836 426 S HN 0.536 nan 8.310 nan 0.000 0.504 427 D N 2.682 123.043 120.400 -0.065 0.000 2.407 427 D HA 0.139 4.780 4.640 0.001 0.000 0.208 427 D C 1.603 177.830 176.300 -0.121 0.000 1.083 427 D CA -0.141 53.808 54.000 -0.084 0.000 0.844 427 D CB -0.022 40.787 40.800 0.016 0.000 0.967 427 D HN 0.404 nan 8.370 nan 0.000 0.506 428 L N 1.694 122.873 121.223 -0.075 0.000 1.994 428 L HA -0.019 4.322 4.340 0.001 0.000 0.208 428 L C -0.672 176.046 176.870 -0.253 0.000 1.071 428 L CA 1.922 56.743 54.840 -0.032 0.000 0.745 428 L CB -1.865 40.191 42.059 -0.004 0.000 0.892 428 L HN 0.163 nan 8.230 nan 0.000 0.431 429 P HA -0.167 nan 4.420 nan 0.000 0.219 429 P C 0.937 177.947 177.300 -0.484 0.000 1.146 429 P CA 1.138 63.890 63.100 -0.580 0.000 0.808 429 P CB -0.280 30.785 31.700 -1.058 0.000 0.779 430 N N -0.587 117.794 118.700 -0.532 0.000 2.573 430 N HA -0.116 4.625 4.740 0.001 0.000 0.187 430 N C 1.179 176.307 175.510 -0.636 0.000 1.107 430 N CA 0.854 53.572 53.050 -0.554 0.000 0.918 430 N CB -0.401 37.736 38.487 -0.583 0.000 0.966 430 N HN 0.460 nan 8.380 nan 0.000 0.448 431 H N -0.418 118.417 119.070 -0.391 0.000 2.705 431 H HA 0.196 4.753 4.556 0.001 0.000 0.269 431 H C 0.590 175.506 175.328 -0.688 0.000 0.998 431 H CA -0.382 55.362 56.048 -0.507 0.000 1.193 431 H CB 0.993 30.404 29.762 -0.584 0.000 1.485 431 H HN 0.024 nan 8.280 nan 0.000 0.521 432 I N 2.640 122.900 120.570 -0.517 0.000 2.692 432 I HA 0.011 4.182 4.170 0.001 0.000 0.284 432 I C -1.182 174.894 176.117 -0.068 0.000 1.159 432 I CA -2.073 59.051 61.300 -0.294 0.000 1.423 432 I CB 0.334 38.277 38.000 -0.095 0.000 1.380 432 I HN -0.117 nan 8.210 nan 0.000 0.580 433 P HA -0.200 nan 4.420 nan 0.000 0.216 433 P C 1.839 179.184 177.300 0.074 0.000 1.150 433 P CA 1.345 64.494 63.100 0.082 0.000 0.843 433 P CB 0.028 31.813 31.700 0.141 0.000 0.787 434 F N 0.235 120.165 119.950 -0.033 0.000 2.134 434 F HA -0.130 4.398 4.527 0.001 0.000 0.299 434 F C 0.716 176.436 175.800 -0.134 0.000 1.097 434 F CA 0.962 58.911 58.000 -0.085 0.000 1.264 434 F CB -0.546 38.409 39.000 -0.074 0.000 1.001 434 F HN -0.189 nan 8.300 nan 0.000 0.479 435 C N 3.258 122.539 119.300 -0.032 0.000 2.365 435 C HA 0.153 4.613 4.460 0.001 0.000 0.412 435 C C 0.757 175.661 174.990 -0.143 0.000 1.023 435 C CA -0.073 58.877 59.018 -0.113 0.000 1.287 435 C CB -2.093 25.645 27.740 -0.004 0.000 1.675 435 C HN 0.526 nan 8.230 nan 0.000 0.520 436 D N -0.109 120.177 120.400 -0.190 0.000 2.535 436 D HA 0.117 4.757 4.640 0.001 0.000 0.229 436 D C -0.279 176.040 176.300 0.032 0.000 1.238 436 D CA -0.168 53.783 54.000 -0.082 0.000 0.824 436 D CB 0.039 40.792 40.800 -0.079 0.000 1.045 436 D HN 0.384 nan 8.370 nan 0.000 0.500 437 F N 1.056 120.908 119.950 -0.164 0.000 2.585 437 F HA 0.503 5.031 4.527 0.001 0.000 0.319 437 F C 0.580 176.300 175.800 -0.132 0.000 1.165 437 F CA 0.553 58.512 58.000 -0.068 0.000 0.949 437 F CB 1.514 40.539 39.000 0.042 0.000 1.218 437 F HN 0.202 nan 8.300 nan 0.000 0.453 438 G N 4.502 112.758 108.800 -0.907 0.000 2.692 438 G HA2 -0.171 3.789 3.960 0.001 0.000 0.248 438 G HA3 -0.171 3.789 3.960 0.001 0.000 0.248 438 G C -0.723 173.689 174.900 -0.813 0.000 1.340 438 G CA -0.434 44.030 45.100 -1.060 0.000 0.896 438 G HN 0.743 nan 8.290 nan 0.000 0.570 439 E N -0.734 118.771 120.200 -1.158 0.000 2.349 439 E HA 0.442 4.792 4.350 0.001 0.000 0.265 439 E C 1.062 177.627 176.600 -0.057 0.000 1.064 439 E CA 0.022 56.187 56.400 -0.393 0.000 0.886 439 E CB 1.595 31.266 29.700 -0.048 0.000 1.036 439 E HN 0.535 nan 8.360 nan 0.000 0.413 440 V N 0.274 120.222 119.914 0.056 0.000 3.562 440 V HA 0.021 4.141 4.120 0.001 0.000 0.270 440 V C 0.589 176.664 176.094 -0.032 0.000 1.418 440 V CA 0.575 62.918 62.300 0.072 0.000 1.033 440 V CB 0.796 32.594 31.823 -0.043 0.000 0.820 440 V HN 0.739 nan 8.190 nan 0.000 0.441 441 T N -2.466 112.093 114.554 0.007 0.000 2.930 441 T HA 0.617 4.968 4.350 0.001 0.000 0.290 441 T C -1.033 173.727 174.700 0.100 0.000 1.052 441 T CA -0.425 61.650 62.100 -0.043 0.000 1.017 441 T CB 2.625 71.456 68.868 -0.062 0.000 1.137 441 T HN 0.028 nan 8.240 nan 0.000 0.511 442 D N 2.440 122.878 120.400 0.063 0.000 2.517 442 D HA 0.380 5.020 4.640 0.001 0.000 0.301 442 D C -2.294 174.143 176.300 0.228 0.000 1.202 442 D CA -1.963 52.189 54.000 0.254 0.000 0.910 442 D CB 0.698 41.611 40.800 0.188 0.000 1.021 442 D HN 0.324 nan 8.370 nan 0.000 0.499 443 P HA 0.342 nan 4.420 nan 0.000 0.276 443 P C -2.667 174.731 177.300 0.163 0.000 1.261 443 P CA -1.610 61.571 63.100 0.134 0.000 0.800 443 P CB 0.415 32.176 31.700 0.102 0.000 1.066 444 P HA 0.098 nan 4.420 nan 0.000 0.269 444 P C -0.169 177.247 177.300 0.193 0.000 1.209 444 P CA 0.413 63.542 63.100 0.048 0.000 0.776 444 P CB 0.270 31.823 31.700 -0.246 0.000 0.876 445 S N 0.338 116.196 115.700 0.264 0.000 2.634 445 S HA 0.395 4.866 4.470 0.001 0.000 0.296 445 S C 0.690 175.499 174.600 0.347 0.000 1.104 445 S CA -0.611 57.789 58.200 0.334 0.000 0.920 445 S CB 1.683 65.067 63.200 0.306 0.000 1.111 445 S HN 0.209 nan 8.310 nan 0.000 0.493 446 E N 1.445 121.806 120.200 0.269 0.000 2.047 446 E HA -0.122 4.228 4.350 0.001 0.000 0.191 446 E C 1.579 178.128 176.600 -0.085 0.000 0.987 446 E CA 1.721 58.179 56.400 0.096 0.000 0.799 446 E CB -0.244 29.462 29.700 0.009 0.000 0.752 446 E HN 0.826 nan 8.360 nan 0.000 0.449 447 D N 0.789 121.109 120.400 -0.133 0.000 2.117 447 D HA -0.142 4.499 4.640 0.001 0.000 0.197 447 D C 1.954 177.968 176.300 -0.476 0.000 0.987 447 D CA 1.032 54.798 54.000 -0.391 0.000 0.829 447 D CB -0.566 40.045 40.800 -0.313 0.000 0.961 447 D HN 0.147 nan 8.370 nan 0.000 0.460 448 V N 1.214 121.054 119.914 -0.123 0.000 2.307 448 V HA -0.216 3.905 4.120 0.001 0.000 0.245 448 V C 2.768 178.832 176.094 -0.051 0.000 1.045 448 V CA 2.200 64.463 62.300 -0.061 0.000 1.024 448 V CB -1.024 30.863 31.823 0.106 0.000 0.651 448 V HN 0.275 nan 8.190 nan 0.000 0.449 449 T N 0.572 115.176 114.554 0.082 0.000 2.720 449 T HA -0.205 4.146 4.350 0.001 0.000 0.268 449 T C 2.085 176.780 174.700 -0.008 0.000 1.037 449 T CA 1.711 63.934 62.100 0.205 0.000 1.144 449 T CB -0.504 68.559 68.868 0.326 0.000 0.864 449 T HN 0.573 nan 8.240 nan 0.000 0.444 450 A N 1.470 124.203 122.820 -0.145 0.000 1.865 450 A HA -0.228 4.093 4.320 0.001 0.000 0.217 450 A C 1.933 179.417 177.584 -0.166 0.000 1.191 450 A CA 2.029 53.931 52.037 -0.224 0.000 0.623 450 A CB -1.199 17.585 19.000 -0.359 0.000 0.826 450 A HN 0.735 nan 8.150 nan 0.000 0.444 451 H N -1.194 117.758 119.070 -0.196 0.000 2.387 451 H HA -0.101 4.456 4.556 0.001 0.000 0.299 451 H C 2.085 177.200 175.328 -0.355 0.000 1.099 451 H CA 0.926 56.861 56.048 -0.188 0.000 1.315 451 H CB -0.053 29.687 29.762 -0.037 0.000 1.380 451 H HN 0.327 nan 8.280 nan 0.000 0.513 452 V N 0.658 120.362 119.914 -0.350 0.000 2.270 452 V HA -0.236 3.884 4.120 0.001 0.000 0.245 452 V C 2.267 177.839 176.094 -0.871 0.000 1.043 452 V CA 1.385 63.196 62.300 -0.816 0.000 1.014 452 V CB -0.471 30.598 31.823 -1.256 0.000 0.645 452 V HN 0.213 nan 8.190 nan 0.000 0.447 453 L N 0.167 121.122 121.223 -0.447 0.000 2.042 453 L HA -0.209 4.132 4.340 0.001 0.000 0.210 453 L C 2.511 179.220 176.870 -0.269 0.000 1.076 453 L CA 2.222 56.948 54.840 -0.190 0.000 0.749 453 L CB -0.955 41.080 42.059 -0.041 0.000 0.893 453 L HN 0.458 nan 8.230 nan 0.000 0.432 454 E N -1.260 118.705 120.200 -0.391 0.000 2.118 454 E HA -0.256 4.094 4.350 0.001 0.000 0.195 454 E C 2.405 178.470 176.600 -0.891 0.000 0.992 454 E CA 1.563 57.606 56.400 -0.594 0.000 0.804 454 E CB -0.386 28.908 29.700 -0.677 0.000 0.741 454 E HN 0.529 nan 8.360 nan 0.000 0.458 455 C N -0.385 118.427 119.300 -0.813 0.000 2.473 455 C HA -0.110 4.351 4.460 0.001 0.000 0.279 455 C C 2.304 177.085 174.990 -0.347 0.000 1.250 455 C CA 0.857 59.447 59.018 -0.713 0.000 1.713 455 C CB -1.460 25.955 27.740 -0.540 0.000 2.066 455 C HN 0.545 nan 8.230 nan 0.000 0.474 456 F N 1.901 121.758 119.950 -0.155 0.000 2.126 456 F HA 0.065 4.592 4.527 0.001 0.000 0.299 456 F C 2.640 178.549 175.800 0.181 0.000 1.096 456 F CA 1.405 59.471 58.000 0.110 0.000 1.255 456 F CB -1.699 37.359 39.000 0.097 0.000 0.997 456 F HN 0.363 nan 8.300 nan 0.000 0.479 457 G N -0.157 108.738 108.800 0.157 0.000 2.505 457 G HA2 -0.344 3.617 3.960 0.001 0.000 0.220 457 G HA3 -0.344 3.617 3.960 0.001 0.000 0.220 457 G C 1.837 176.738 174.900 0.003 0.000 1.145 457 G CA 1.656 46.800 45.100 0.073 0.000 0.761 457 G HN 0.475 nan 8.290 nan 0.000 0.571 458 S N 0.435 115.996 115.700 -0.232 0.000 2.400 458 S HA -0.107 4.363 4.470 0.001 0.000 0.232 458 S C 2.043 176.556 174.600 -0.145 0.000 1.025 458 S CA 1.493 59.527 58.200 -0.277 0.000 0.993 458 S CB -0.557 62.342 63.200 -0.502 0.000 0.808 458 S HN 0.224 nan 8.310 nan 0.000 0.478 459 F N 2.148 122.220 119.950 0.204 0.000 2.558 459 F HA 0.358 4.885 4.527 0.001 0.000 0.298 459 F C 2.372 178.371 175.800 0.331 0.000 1.119 459 F CA 0.349 58.537 58.000 0.314 0.000 1.451 459 F CB -0.487 38.780 39.000 0.444 0.000 1.091 459 F HN 0.501 nan 8.300 nan 0.000 0.563 460 G N -1.772 107.289 108.800 0.436 0.000 2.307 460 G HA2 -0.260 3.701 3.960 0.001 0.000 0.210 460 G HA3 -0.260 3.701 3.960 0.001 0.000 0.210 460 G C -0.034 175.032 174.900 0.276 0.000 1.005 460 G CA -0.556 44.705 45.100 0.268 0.000 0.634 460 G HN 0.105 nan 8.290 nan 0.000 0.496 461 Y N 4.100 124.534 120.300 0.222 0.000 2.852 461 Y HA 0.284 4.835 4.550 0.001 0.000 0.343 461 Y C 1.340 177.395 175.900 0.257 0.000 1.280 461 Y CA 0.276 58.511 58.100 0.224 0.000 1.604 461 Y CB 0.189 38.837 38.460 0.314 0.000 1.216 461 Y HN 0.511 nan 8.280 nan 0.000 0.541 462 D N 0.900 121.470 120.400 0.283 0.000 2.595 462 D HA 0.077 4.717 4.640 0.001 0.000 0.268 462 D C 0.603 177.052 176.300 0.248 0.000 1.181 462 D CA -0.386 53.751 54.000 0.227 0.000 1.085 462 D CB 0.414 41.292 40.800 0.131 0.000 1.186 462 D HN 0.441 nan 8.370 nan 0.000 0.621 463 D N -0.910 119.593 120.400 0.171 0.000 2.309 463 D HA -0.084 4.557 4.640 0.001 0.000 0.212 463 D C 1.840 178.229 176.300 0.148 0.000 0.968 463 D CA 1.409 55.496 54.000 0.145 0.000 0.882 463 D CB -0.218 40.646 40.800 0.106 0.000 0.918 463 D HN 0.430 nan 8.370 nan 0.000 0.503 464 A N -0.085 122.828 122.820 0.156 0.000 1.933 464 A HA -0.084 4.236 4.320 0.001 0.000 0.218 464 A C 0.944 178.661 177.584 0.222 0.000 1.175 464 A CA 0.493 52.615 52.037 0.143 0.000 0.628 464 A CB -0.888 18.171 19.000 0.099 0.000 0.814 464 A HN 0.487 nan 8.150 nan 0.000 0.444 465 W N 1.914 123.244 121.300 0.051 0.000 2.303 465 W HA 0.285 4.946 4.660 0.001 0.000 0.318 465 W C 1.272 177.828 176.519 0.062 0.000 1.362 465 W CA -0.807 56.576 57.345 0.063 0.000 1.234 465 W CB 0.591 30.122 29.460 0.118 0.000 1.248 465 W HN 0.348 nan 8.180 nan 0.000 0.546 466 K N 3.454 123.925 120.400 0.119 0.000 2.034 466 K HA -0.245 4.076 4.320 0.001 0.000 0.214 466 K C 1.535 177.925 176.600 -0.351 0.000 1.051 466 K CA 2.456 58.687 56.287 -0.094 0.000 0.931 466 K CB -0.289 32.196 32.500 -0.024 0.000 0.715 466 K HN 0.429 nan 8.250 nan 0.000 0.446 467 V N 1.880 121.283 119.914 -0.853 0.000 2.317 467 V HA -0.318 3.802 4.120 0.001 0.000 0.251 467 V C 2.424 178.212 176.094 -0.510 0.000 1.065 467 V CA 1.743 63.520 62.300 -0.871 0.000 1.049 467 V CB -0.468 30.388 31.823 -1.612 0.000 0.651 467 V HN 0.373 nan 8.190 nan 0.000 0.450 468 I N -0.231 120.073 120.570 -0.445 0.000 2.179 468 I HA -0.212 3.959 4.170 0.001 0.000 0.242 468 I C 2.594 178.705 176.117 -0.009 0.000 1.088 468 I CA 1.805 63.076 61.300 -0.049 0.000 1.357 468 I CB -1.250 36.832 38.000 0.136 0.000 1.051 468 I HN 0.343 nan 8.210 nan 0.000 0.409 469 R N 1.263 121.745 120.500 -0.031 0.000 2.083 469 R HA -0.168 4.173 4.340 0.001 0.000 0.237 469 R C 2.492 178.776 176.300 -0.026 0.000 1.137 469 R CA 1.492 57.588 56.100 -0.006 0.000 0.951 469 R CB -0.116 30.183 30.300 -0.002 0.000 0.851 469 R HN 0.301 nan 8.270 nan 0.000 0.434 470 R N -0.079 120.372 120.500 -0.081 0.000 2.117 470 R HA -0.154 4.186 4.340 0.001 0.000 0.243 470 R C 2.309 178.575 176.300 -0.056 0.000 1.143 470 R CA 1.513 57.558 56.100 -0.093 0.000 0.968 470 R CB -0.413 29.783 30.300 -0.173 0.000 0.863 470 R HN 0.297 nan 8.270 nan 0.000 0.444 471 A N 0.847 123.640 122.820 -0.045 0.000 1.854 471 A HA -0.064 4.256 4.320 0.001 0.000 0.214 471 A C 2.425 180.086 177.584 0.128 0.000 1.192 471 A CA 1.119 53.188 52.037 0.053 0.000 0.611 471 A CB -0.541 18.551 19.000 0.153 0.000 0.832 471 A HN 0.093 nan 8.150 nan 0.000 0.442 472 V N 0.659 120.623 119.914 0.083 0.000 2.324 472 V HA -0.269 3.851 4.120 0.001 0.000 0.250 472 V C 2.578 178.709 176.094 0.063 0.000 1.060 472 V CA 2.259 64.603 62.300 0.074 0.000 1.042 472 V CB -0.828 31.039 31.823 0.072 0.000 0.650 472 V HN 0.510 nan 8.190 nan 0.000 0.450 473 E N -0.592 119.637 120.200 0.048 0.000 2.085 473 E HA -0.247 4.103 4.350 0.001 0.000 0.194 473 E C 2.036 178.674 176.600 0.062 0.000 0.994 473 E CA 1.756 58.173 56.400 0.029 0.000 0.801 473 E CB -0.505 29.205 29.700 0.017 0.000 0.743 473 E HN 0.778 nan 8.360 nan 0.000 0.453 474 Y N 1.631 121.920 120.300 -0.018 0.000 2.097 474 Y HA -0.224 4.327 4.550 0.001 0.000 0.282 474 Y C 2.244 178.175 175.900 0.051 0.000 1.152 474 Y CA 1.589 59.685 58.100 -0.006 0.000 1.136 474 Y CB -0.634 37.802 38.460 -0.040 0.000 0.975 474 Y HN -0.061 nan 8.280 nan 0.000 0.498 475 L N 0.146 121.285 121.223 -0.141 0.000 2.012 475 L HA -0.270 4.071 4.340 0.001 0.000 0.210 475 L C 2.553 179.517 176.870 0.156 0.000 1.073 475 L CA 1.933 56.683 54.840 -0.149 0.000 0.748 475 L CB -0.652 41.308 42.059 -0.165 0.000 0.891 475 L HN 0.167 nan 8.230 nan 0.000 0.431 476 K N -0.021 120.454 120.400 0.126 0.000 2.063 476 K HA -0.185 4.136 4.320 0.001 0.000 0.208 476 K C 2.215 178.832 176.600 0.028 0.000 1.048 476 K CA 1.457 57.807 56.287 0.105 0.000 0.928 476 K CB -0.165 32.276 32.500 -0.098 0.000 0.713 476 K HN 0.317 nan 8.250 nan 0.000 0.442 477 R N 0.504 120.987 120.500 -0.029 0.000 2.148 477 R HA -0.063 4.277 4.340 0.001 0.000 0.227 477 R C 1.785 178.043 176.300 -0.070 0.000 1.103 477 R CA 0.758 56.827 56.100 -0.052 0.000 0.983 477 R CB 0.028 30.306 30.300 -0.036 0.000 0.874 477 R HN 0.187 nan 8.270 nan 0.000 0.451 478 E N 0.963 121.107 120.200 -0.094 0.000 2.318 478 E HA -0.062 4.289 4.350 0.001 0.000 0.193 478 E C 0.513 177.096 176.600 -0.028 0.000 0.998 478 E CA 0.121 56.473 56.400 -0.081 0.000 0.859 478 E CB 0.025 29.594 29.700 -0.220 0.000 0.812 478 E HN 0.329 nan 8.360 nan 0.000 0.492 479 Q N 1.827 121.613 119.800 -0.024 0.000 2.326 479 Q HA -0.097 4.244 4.340 0.001 0.000 0.314 479 Q C -0.244 175.501 176.000 -0.425 0.000 1.091 479 Q CA 0.473 55.916 55.803 -0.600 0.000 0.974 479 Q CB 0.586 28.926 28.738 -0.663 0.000 1.220 479 Q HN -0.282 nan 8.270 nan 0.000 0.398 480 K N 4.379 124.478 120.400 -0.502 0.000 2.107 480 K HA 0.147 4.468 4.320 0.001 0.000 0.251 480 K C -1.823 174.598 176.600 -0.298 0.000 1.012 480 K CA -2.018 54.083 56.287 -0.310 0.000 0.920 480 K CB 0.142 32.478 32.500 -0.273 0.000 1.033 480 K HN 0.483 nan 8.250 nan 0.000 0.478 481 P HA -0.204 nan 4.420 nan 0.000 0.216 481 P C 0.356 177.570 177.300 -0.144 0.000 1.154 481 P CA 1.536 64.551 63.100 -0.142 0.000 0.865 481 P CB 0.132 31.775 31.700 -0.095 0.000 0.789 482 D N -2.031 118.264 120.400 -0.175 0.000 2.324 482 D HA 0.055 4.695 4.640 0.001 0.000 0.235 482 D C 1.200 177.359 176.300 -0.235 0.000 1.095 482 D CA 0.638 54.570 54.000 -0.113 0.000 0.871 482 D CB -0.902 39.896 40.800 -0.004 0.000 0.906 482 D HN 0.236 nan 8.370 nan 0.000 0.522 483 G N 0.963 109.550 108.800 -0.355 0.000 2.153 483 G HA2 -0.302 3.659 3.960 0.001 0.000 0.252 483 G HA3 -0.302 3.659 3.960 0.001 0.000 0.252 483 G C 0.337 174.777 174.900 -0.767 0.000 0.994 483 G CA 0.606 45.417 45.100 -0.481 0.000 0.698 483 G HN 0.746 nan 8.290 nan 0.000 0.521 484 S N -0.958 114.204 115.700 -0.896 0.000 2.690 484 S HA 0.798 5.268 4.470 0.001 0.000 0.291 484 S C -0.308 173.891 174.600 -0.668 0.000 1.138 484 S CA -0.883 56.723 58.200 -0.990 0.000 1.013 484 S CB 1.926 64.201 63.200 -1.543 0.000 1.053 484 S HN 0.461 nan 8.310 nan 0.000 0.539 485 W N 1.429 122.594 121.300 -0.225 0.000 2.600 485 W HA 0.401 5.061 4.660 0.001 0.000 0.325 485 W C -0.544 175.938 176.519 -0.063 0.000 1.034 485 W CA -1.669 55.619 57.345 -0.095 0.000 1.226 485 W CB 1.498 30.866 29.460 -0.154 0.000 1.379 485 W HN 0.766 nan 8.180 nan 0.000 0.466 486 F N 2.362 122.325 119.950 0.021 0.000 2.602 486 F HA 0.342 4.869 4.527 0.001 0.000 0.367 486 F C 0.770 176.447 175.800 -0.204 0.000 1.126 486 F CA 0.655 58.475 58.000 -0.300 0.000 1.321 486 F CB 0.626 39.544 39.000 -0.138 0.000 1.094 486 F HN 0.272 nan 8.300 nan 0.000 0.594 487 G N 5.627 113.743 108.800 -1.139 0.000 2.468 487 G HA2 0.375 4.335 3.960 0.001 0.000 0.320 487 G HA3 0.375 4.335 3.960 0.001 0.000 0.320 487 G C 0.257 174.627 174.900 -0.884 0.000 1.137 487 G CA -0.642 44.067 45.100 -0.652 0.000 0.984 487 G HN 0.787 nan 8.290 nan 0.000 0.462 488 R N 2.467 122.666 120.500 -0.502 0.000 2.052 488 R HA 0.048 4.389 4.340 0.001 0.000 0.226 488 R C 0.841 176.806 176.300 -0.559 0.000 1.145 488 R CA 1.186 57.003 56.100 -0.473 0.000 0.952 488 R CB -0.216 29.918 30.300 -0.276 0.000 0.847 488 R HN 0.625 nan 8.270 nan 0.000 0.431 489 W N 0.006 121.249 121.300 -0.095 0.000 3.194 489 W HA 0.543 5.203 4.660 0.001 0.000 0.408 489 W C -0.060 176.223 176.519 -0.393 0.000 1.072 489 W CA 0.069 57.300 57.345 -0.191 0.000 1.953 489 W CB 0.679 30.038 29.460 -0.168 0.000 1.091 489 W HN 0.231 nan 8.180 nan 0.000 0.699 490 G N -0.308 108.245 108.800 -0.413 0.000 2.755 490 G HA2 0.414 4.374 3.960 0.001 0.000 0.297 490 G HA3 0.414 4.374 3.960 0.001 0.000 0.297 490 G C -1.603 173.084 174.900 -0.354 0.000 1.441 490 G CA -0.818 43.698 45.100 -0.973 0.000 0.964 490 G HN -0.231 nan 8.290 nan 0.000 0.540 491 V N 2.942 122.832 119.914 -0.039 0.000 2.387 491 V HA 0.332 4.453 4.120 0.001 0.000 0.260 491 V C 0.457 176.669 176.094 0.196 0.000 1.054 491 V CA -0.044 62.348 62.300 0.152 0.000 0.967 491 V CB 0.515 32.472 31.823 0.224 0.000 1.036 491 V HN 0.864 nan 8.190 nan 0.000 0.481 492 N N 3.518 122.268 118.700 0.085 0.000 2.796 492 N HA 0.028 4.768 4.740 0.001 0.000 0.334 492 N C 1.102 176.450 175.510 -0.270 0.000 1.095 492 N CA 0.056 52.972 53.050 -0.224 0.000 1.617 492 N CB -0.075 38.108 38.487 -0.506 0.000 0.807 492 N HN 0.276 nan 8.380 nan 0.000 1.462 493 Y N 2.163 122.430 120.300 -0.055 0.000 2.314 493 Y HA 0.264 4.815 4.550 0.001 0.000 0.293 493 Y C 2.321 178.204 175.900 -0.029 0.000 1.129 493 Y CA 0.870 58.911 58.100 -0.099 0.000 1.201 493 Y CB -0.097 38.280 38.460 -0.138 0.000 0.999 493 Y HN 0.156 nan 8.280 nan 0.000 0.541 494 L N -1.776 119.628 121.223 0.302 0.000 2.056 494 L HA -0.235 4.105 4.340 0.001 0.000 0.207 494 L C 2.254 179.200 176.870 0.126 0.000 1.078 494 L CA 1.353 56.369 54.840 0.293 0.000 0.749 494 L CB -0.652 41.612 42.059 0.342 0.000 0.901 494 L HN 0.230 nan 8.230 nan 0.000 0.433 495 Y N 0.828 121.056 120.300 -0.119 0.000 2.114 495 Y HA -0.183 4.368 4.550 0.001 0.000 0.284 495 Y C 2.266 177.855 175.900 -0.519 0.000 1.143 495 Y CA 1.564 59.261 58.100 -0.673 0.000 1.135 495 Y CB -0.783 37.181 38.460 -0.826 0.000 0.980 495 Y HN 0.048 nan 8.280 nan 0.000 0.499 496 G N -1.059 107.498 108.800 -0.405 0.000 2.453 496 G HA2 -0.252 3.709 3.960 0.001 0.000 0.215 496 G HA3 -0.252 3.709 3.960 0.001 0.000 0.215 496 G C 1.673 176.421 174.900 -0.253 0.000 1.201 496 G CA 1.566 46.430 45.100 -0.393 0.000 0.784 496 G HN 0.412 nan 8.290 nan 0.000 0.545 497 T N 1.156 115.679 114.554 -0.053 0.000 2.653 497 T HA -0.168 4.182 4.350 0.001 0.000 0.268 497 T C 2.429 177.094 174.700 -0.057 0.000 1.035 497 T CA 1.886 64.037 62.100 0.085 0.000 1.154 497 T CB -0.832 68.059 68.868 0.039 0.000 0.862 497 T HN 0.398 nan 8.240 nan 0.000 0.441 498 G N 1.131 109.846 108.800 -0.142 0.000 2.459 498 G HA2 -0.104 3.857 3.960 0.001 0.000 0.217 498 G HA3 -0.104 3.857 3.960 0.001 0.000 0.217 498 G C 1.853 176.611 174.900 -0.237 0.000 1.183 498 G CA 1.177 46.176 45.100 -0.168 0.000 0.776 498 G HN 0.620 nan 8.290 nan 0.000 0.552 499 A N 0.066 122.652 122.820 -0.389 0.000 1.859 499 A HA -0.029 4.291 4.320 0.001 0.000 0.217 499 A C 2.648 180.037 177.584 -0.326 0.000 1.198 499 A CA 2.356 54.178 52.037 -0.359 0.000 0.629 499 A CB -0.970 17.692 19.000 -0.563 0.000 0.830 499 A HN 0.328 nan 8.150 nan 0.000 0.446 500 V N -0.336 119.312 119.914 -0.444 0.000 2.214 500 V HA -0.301 3.819 4.120 0.001 0.000 0.247 500 V C 2.572 178.413 176.094 -0.423 0.000 1.051 500 V CA 2.245 64.186 62.300 -0.598 0.000 1.003 500 V CB -1.187 29.899 31.823 -1.227 0.000 0.635 500 V HN 0.385 nan 8.190 nan 0.000 0.447 501 V N -0.118 119.610 119.914 -0.310 0.000 2.250 501 V HA -0.344 3.776 4.120 0.001 0.000 0.250 501 V C 2.715 178.723 176.094 -0.143 0.000 1.060 501 V CA 2.641 64.841 62.300 -0.167 0.000 1.030 501 V CB -1.024 30.762 31.823 -0.062 0.000 0.643 501 V HN 0.643 nan 8.190 nan 0.000 0.445 502 S N -0.583 115.037 115.700 -0.134 0.000 2.374 502 S HA -0.241 4.230 4.470 0.001 0.000 0.227 502 S C 2.061 176.585 174.600 -0.127 0.000 1.037 502 S CA 1.899 60.039 58.200 -0.099 0.000 1.024 502 S CB -0.388 62.769 63.200 -0.072 0.000 0.861 502 S HN 0.661 nan 8.310 nan 0.000 0.456 503 A N 1.739 124.456 122.820 -0.172 0.000 1.835 503 A HA 0.042 4.363 4.320 0.001 0.000 0.215 503 A C 2.220 179.722 177.584 -0.137 0.000 1.199 503 A CA 1.606 53.532 52.037 -0.184 0.000 0.615 503 A CB -1.159 17.716 19.000 -0.208 0.000 0.838 503 A HN 0.565 nan 8.150 nan 0.000 0.444 504 L N -0.493 120.645 121.223 -0.142 0.000 2.089 504 L HA -0.274 4.066 4.340 0.001 0.000 0.213 504 L C 2.691 179.532 176.870 -0.048 0.000 1.079 504 L CA 1.860 56.652 54.840 -0.080 0.000 0.758 504 L CB -0.582 41.418 42.059 -0.098 0.000 0.891 504 L HN 0.356 nan 8.230 nan 0.000 0.433 505 K N 0.670 121.030 120.400 -0.066 0.000 2.057 505 K HA -0.137 4.183 4.320 0.001 0.000 0.207 505 K C 2.026 178.607 176.600 -0.031 0.000 1.049 505 K CA 1.713 57.976 56.287 -0.041 0.000 0.931 505 K CB -0.170 32.304 32.500 -0.043 0.000 0.714 505 K HN 0.306 nan 8.250 nan 0.000 0.440 506 A N 0.656 123.441 122.820 -0.059 0.000 2.066 506 A HA -0.055 4.266 4.320 0.001 0.000 0.218 506 A C 1.805 179.379 177.584 -0.017 0.000 1.157 506 A CA 1.269 53.268 52.037 -0.064 0.000 0.670 506 A CB -0.284 18.624 19.000 -0.153 0.000 0.804 506 A HN 0.179 nan 8.150 nan 0.000 0.453 507 V N -3.812 116.107 119.914 0.007 0.000 3.499 507 V HA 0.538 4.658 4.120 0.001 0.000 0.308 507 V C 1.295 177.439 176.094 0.084 0.000 1.319 507 V CA 0.631 62.976 62.300 0.075 0.000 1.194 507 V CB -0.956 30.923 31.823 0.094 0.000 1.072 507 V HN 1.232 nan 8.190 nan 0.000 0.426 508 G N 0.351 109.185 108.800 0.055 0.000 2.268 508 G HA2 -0.244 3.717 3.960 0.001 0.000 0.240 508 G HA3 -0.244 3.717 3.960 0.001 0.000 0.240 508 G C 0.125 175.057 174.900 0.054 0.000 1.010 508 G CA 0.044 45.178 45.100 0.057 0.000 0.618 508 G HN 0.451 nan 8.290 nan 0.000 0.516 509 I N 1.981 122.586 120.570 0.060 0.000 3.055 509 I HA 0.040 4.211 4.170 0.001 0.000 0.308 509 I C 0.694 176.842 176.117 0.052 0.000 1.224 509 I CA 0.214 61.557 61.300 0.072 0.000 1.443 509 I CB 0.069 38.119 38.000 0.084 0.000 1.318 509 I HN 0.341 nan 8.210 nan 0.000 0.577 510 D N 3.293 123.733 120.400 0.067 0.000 2.336 510 D HA 0.101 4.741 4.640 0.001 0.000 0.249 510 D C 1.364 177.679 176.300 0.024 0.000 1.213 510 D CA -0.128 53.901 54.000 0.049 0.000 0.870 510 D CB 0.829 41.666 40.800 0.062 0.000 1.076 510 D HN 0.670 nan 8.370 nan 0.000 0.483 511 T N 1.403 115.957 114.554 0.001 0.000 2.977 511 T HA -0.200 4.150 4.350 0.001 0.000 0.271 511 T C 1.759 176.446 174.700 -0.023 0.000 1.105 511 T CA 0.632 62.715 62.100 -0.029 0.000 1.116 511 T CB -0.105 68.752 68.868 -0.018 0.000 0.878 511 T HN 0.409 nan 8.240 nan 0.000 0.509 512 R N 0.952 121.457 120.500 0.008 0.000 2.235 512 R HA 0.018 4.359 4.340 0.001 0.000 0.213 512 R C 0.324 176.644 176.300 0.033 0.000 1.059 512 R CA 0.233 56.346 56.100 0.020 0.000 0.997 512 R CB -0.099 30.220 30.300 0.031 0.000 0.884 512 R HN 0.421 nan 8.270 nan 0.000 0.462 513 E N 0.740 120.968 120.200 0.046 0.000 2.537 513 E HA -0.121 4.230 4.350 0.001 0.000 0.269 513 E C -1.848 174.814 176.600 0.103 0.000 1.038 513 E CA -0.782 55.690 56.400 0.121 0.000 0.977 513 E CB 0.318 30.167 29.700 0.249 0.000 0.973 513 E HN 0.139 nan 8.360 nan 0.000 0.456 514 P HA -0.178 nan 4.420 nan 0.000 0.213 514 P C 1.431 178.829 177.300 0.163 0.000 1.170 514 P CA 1.665 64.855 63.100 0.150 0.000 0.893 514 P CB -0.251 31.537 31.700 0.146 0.000 0.784 515 Y N -0.895 119.420 120.300 0.026 0.000 2.256 515 Y HA -0.156 4.394 4.550 0.001 0.000 0.288 515 Y C 1.859 177.791 175.900 0.053 0.000 1.155 515 Y CA 0.657 58.764 58.100 0.012 0.000 1.203 515 Y CB -1.989 36.486 38.460 0.026 0.000 0.980 515 Y HN -0.112 nan 8.280 nan 0.000 0.530 516 I N 0.651 120.893 120.570 -0.548 0.000 2.163 516 I HA -0.225 3.945 4.170 0.001 0.000 0.240 516 I C 2.414 178.460 176.117 -0.119 0.000 1.081 516 I CA 1.310 62.367 61.300 -0.405 0.000 1.353 516 I CB -1.357 36.410 38.000 -0.388 0.000 1.054 516 I HN 0.308 nan 8.210 nan 0.000 0.407 517 Q N 0.877 120.640 119.800 -0.061 0.000 2.061 517 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 517 Q C 2.194 178.210 176.000 0.026 0.000 0.984 517 Q CA 1.433 57.237 55.803 0.002 0.000 0.846 517 Q CB -0.580 28.170 28.738 0.021 0.000 0.902 517 Q HN 0.486 nan 8.270 nan 0.000 0.421 518 K N 0.160 120.573 120.400 0.021 0.000 2.360 518 K HA -0.120 4.200 4.320 0.001 0.000 0.201 518 K C 1.763 178.385 176.600 0.036 0.000 1.046 518 K CA 1.001 57.306 56.287 0.031 0.000 0.940 518 K CB 0.061 32.569 32.500 0.012 0.000 0.748 518 K HN 0.172 nan 8.250 nan 0.000 0.465 519 A N 0.496 123.320 122.820 0.008 0.000 1.861 519 A HA -0.017 4.303 4.320 0.001 0.000 0.212 519 A C 1.861 179.539 177.584 0.155 0.000 1.199 519 A CA 0.555 52.610 52.037 0.030 0.000 0.613 519 A CB -0.409 18.615 19.000 0.040 0.000 0.846 519 A HN 0.196 nan 8.150 nan 0.000 0.446 520 L N 0.731 122.018 121.223 0.106 0.000 2.013 520 L HA -0.241 4.100 4.340 0.001 0.000 0.212 520 L C 2.047 179.009 176.870 0.153 0.000 1.073 520 L CA 2.091 56.998 54.840 0.112 0.000 0.753 520 L CB -0.806 41.293 42.059 0.066 0.000 0.890 520 L HN 0.352 nan 8.230 nan 0.000 0.432 521 D N -1.438 119.047 120.400 0.142 0.000 2.116 521 D HA -0.285 4.356 4.640 0.001 0.000 0.193 521 D C 1.912 178.331 176.300 0.198 0.000 0.998 521 D CA 1.464 55.550 54.000 0.142 0.000 0.836 521 D CB -0.409 40.460 40.800 0.115 0.000 0.951 521 D HN 0.494 nan 8.370 nan 0.000 0.449 522 W N 1.718 123.053 121.300 0.059 0.000 2.321 522 W HA -0.263 4.398 4.660 0.001 0.000 0.306 522 W C 2.157 178.775 176.519 0.166 0.000 1.217 522 W CA 1.543 58.943 57.345 0.093 0.000 1.257 522 W CB -0.311 29.135 29.460 -0.024 0.000 1.145 522 W HN -0.220 nan 8.180 nan 0.000 0.509 523 V N 0.939 121.042 119.914 0.316 0.000 2.223 523 V HA -0.338 3.783 4.120 0.001 0.000 0.244 523 V C 2.177 178.437 176.094 0.278 0.000 1.045 523 V CA 2.481 64.870 62.300 0.149 0.000 1.000 523 V CB -1.218 30.639 31.823 0.058 0.000 0.635 523 V HN 0.184 nan 8.190 nan 0.000 0.445 524 E N -0.122 120.244 120.200 0.276 0.000 2.130 524 E HA -0.319 4.031 4.350 0.001 0.000 0.196 524 E C 2.225 178.927 176.600 0.170 0.000 0.998 524 E CA 1.504 58.091 56.400 0.311 0.000 0.806 524 E CB -0.255 29.557 29.700 0.186 0.000 0.738 524 E HN 0.670 nan 8.360 nan 0.000 0.459 525 Q N -0.345 119.506 119.800 0.085 0.000 2.364 525 Q HA -0.147 4.194 4.340 0.001 0.000 0.209 525 Q C 0.814 176.667 176.000 -0.245 0.000 0.977 525 Q CA 0.960 56.719 55.803 -0.074 0.000 0.885 525 Q CB 0.028 28.703 28.738 -0.105 0.000 0.941 525 Q HN 0.441 nan 8.270 nan 0.000 0.464 526 H N -1.181 117.777 119.070 -0.187 0.000 2.672 526 H HA 0.151 4.708 4.556 0.001 0.000 0.277 526 H C -0.287 174.940 175.328 -0.169 0.000 1.074 526 H CA -0.256 55.675 56.048 -0.196 0.000 1.173 526 H CB 0.347 29.896 29.762 -0.355 0.000 1.558 526 H HN 0.107 nan 8.280 nan 0.000 0.539 527 Q N 2.048 121.714 119.800 -0.223 0.000 2.244 527 Q HA -0.011 4.329 4.340 0.001 0.000 0.278 527 Q C -0.212 175.453 176.000 -0.558 0.000 1.093 527 Q CA -0.333 54.895 55.803 -0.959 0.000 0.916 527 Q CB 0.426 28.582 28.738 -0.969 0.000 1.159 527 Q HN 0.361 nan 8.270 nan 0.000 0.384 528 N N 4.628 123.023 118.700 -0.509 0.000 2.297 528 N HA -0.012 4.729 4.740 0.001 0.000 0.232 528 N C -1.843 173.524 175.510 -0.238 0.000 1.311 528 N CA -0.909 51.976 53.050 -0.275 0.000 0.897 528 N CB 0.136 38.513 38.487 -0.183 0.000 1.137 528 N HN 0.507 nan 8.380 nan 0.000 0.449 529 P HA -0.111 nan 4.420 nan 0.000 0.216 529 P C 0.226 177.481 177.300 -0.075 0.000 1.153 529 P CA 1.320 64.358 63.100 -0.103 0.000 0.848 529 P CB -0.023 31.637 31.700 -0.067 0.000 0.787 530 D N -1.786 118.598 120.400 -0.028 0.000 2.403 530 D HA 0.011 4.652 4.640 0.001 0.000 0.227 530 D C 1.486 177.851 176.300 0.108 0.000 0.995 530 D CA 1.068 55.101 54.000 0.055 0.000 0.928 530 D CB -1.004 39.885 40.800 0.148 0.000 0.887 530 D HN 0.286 nan 8.370 nan 0.000 0.529 531 G N -1.038 107.725 108.800 -0.062 0.000 2.383 531 G HA2 -0.222 3.739 3.960 0.001 0.000 0.229 531 G HA3 -0.222 3.739 3.960 0.001 0.000 0.229 531 G C 0.732 175.412 174.900 -0.367 0.000 1.089 531 G CA 0.068 45.082 45.100 -0.144 0.000 0.640 531 G HN 0.845 nan 8.290 nan 0.000 0.510 532 G N -1.353 107.258 108.800 -0.314 0.000 2.535 532 G HA2 0.485 4.445 3.960 0.001 0.000 0.282 532 G HA3 0.485 4.445 3.960 0.001 0.000 0.282 532 G C -0.158 174.376 174.900 -0.610 0.000 1.350 532 G CA -0.221 44.459 45.100 -0.699 0.000 1.039 532 G HN 0.307 nan 8.290 nan 0.000 0.509 533 W N -1.565 119.521 121.300 -0.357 0.000 2.799 533 W HA 0.630 5.290 4.660 0.001 0.000 0.349 533 W C 0.098 176.511 176.519 -0.176 0.000 1.100 533 W CA -0.502 56.729 57.345 -0.191 0.000 1.174 533 W CB 2.347 31.735 29.460 -0.121 0.000 1.427 533 W HN 0.840 nan 8.180 nan 0.000 0.547 534 G N 1.104 109.995 108.800 0.151 0.000 2.732 534 G HA2 0.443 4.403 3.960 0.001 0.000 0.296 534 G HA3 0.443 4.403 3.960 0.001 0.000 0.296 534 G C -2.174 172.787 174.900 0.102 0.000 1.448 534 G CA -0.618 44.521 45.100 0.065 0.000 0.911 534 G HN 0.329 nan 8.290 nan 0.000 0.528 535 E N 0.988 121.237 120.200 0.081 0.000 2.317 535 E HA 0.345 4.695 4.350 0.001 0.000 0.270 535 E C -1.492 175.116 176.600 0.012 0.000 0.899 535 E CA -0.655 55.807 56.400 0.104 0.000 0.814 535 E CB 1.939 31.750 29.700 0.184 0.000 1.296 535 E HN 0.437 nan 8.360 nan 0.000 0.404 536 D N 2.421 122.791 120.400 -0.050 0.000 2.341 536 D HA 0.062 4.702 4.640 0.001 0.000 0.245 536 D C 0.587 176.760 176.300 -0.211 0.000 1.106 536 D CA -0.322 53.573 54.000 -0.175 0.000 0.905 536 D CB 0.957 41.573 40.800 -0.308 0.000 1.202 536 D HN 0.510 nan 8.370 nan 0.000 0.426 537 C N 2.414 121.486 119.300 -0.380 0.000 2.421 537 C HA -0.046 4.415 4.460 0.001 0.000 0.296 537 C C 2.238 176.995 174.990 -0.387 0.000 1.470 537 C CA 0.250 58.885 59.018 -0.639 0.000 1.779 537 C CB -1.235 25.381 27.740 -1.872 0.000 1.715 537 C HN 0.623 nan 8.230 nan 0.000 0.564 538 R N 1.351 121.684 120.500 -0.278 0.000 2.237 538 R HA -0.086 4.255 4.340 0.001 0.000 0.219 538 R C 2.176 178.535 176.300 0.098 0.000 1.080 538 R CA 1.437 57.483 56.100 -0.090 0.000 0.995 538 R CB -0.292 29.773 30.300 -0.392 0.000 0.875 538 R HN 0.708 nan 8.270 nan 0.000 0.462 539 S N -0.423 115.313 115.700 0.059 0.000 2.571 539 S HA -0.138 4.333 4.470 0.001 0.000 0.245 539 S C 1.107 175.749 174.600 0.071 0.000 0.976 539 S CA 0.788 59.073 58.200 0.141 0.000 0.954 539 S CB -0.240 63.025 63.200 0.108 0.000 0.756 539 S HN 0.343 nan 8.310 nan 0.000 0.535 540 Y N 0.959 121.390 120.300 0.218 0.000 2.503 540 Y HA 0.330 4.881 4.550 0.001 0.000 0.277 540 Y C 2.505 178.538 175.900 0.223 0.000 1.102 540 Y CA 0.269 58.521 58.100 0.254 0.000 1.261 540 Y CB 0.199 38.822 38.460 0.272 0.000 1.096 540 Y HN 0.240 nan 8.280 nan 0.000 0.546 541 E N -0.180 120.224 120.200 0.340 0.000 2.110 541 E HA -0.020 4.330 4.350 0.001 0.000 0.193 541 E C -0.137 176.601 176.600 0.230 0.000 0.950 541 E CA 0.647 57.206 56.400 0.266 0.000 0.840 541 E CB -0.074 29.779 29.700 0.255 0.000 0.809 541 E HN 0.204 nan 8.360 nan 0.000 0.465 542 D N 1.768 122.325 120.400 0.262 0.000 2.392 542 D HA 0.099 4.739 4.640 0.001 0.000 0.228 542 D C -1.827 174.611 176.300 0.230 0.000 1.074 542 D CA -2.300 51.844 54.000 0.241 0.000 0.838 542 D CB 1.646 42.623 40.800 0.295 0.000 1.067 542 D HN -0.205 nan 8.370 nan 0.000 0.511 543 P HA -0.114 nan 4.420 nan 0.000 0.229 543 P C 0.786 178.130 177.300 0.074 0.000 1.150 543 P CA 0.449 63.619 63.100 0.117 0.000 0.765 543 P CB 0.236 31.979 31.700 0.072 0.000 0.783 544 A N -1.316 121.525 122.820 0.036 0.000 2.119 544 A HA -0.087 4.233 4.320 0.001 0.000 0.216 544 A C 1.467 178.976 177.584 -0.126 0.000 1.152 544 A CA 0.633 52.620 52.037 -0.083 0.000 0.708 544 A CB -1.194 17.693 19.000 -0.188 0.000 0.805 544 A HN 0.105 nan 8.150 nan 0.000 0.460 545 Y N -0.135 120.214 120.300 0.081 0.000 2.461 545 Y HA 0.435 4.985 4.550 0.001 0.000 0.277 545 Y C 1.400 177.376 175.900 0.126 0.000 1.182 545 Y CA -0.462 57.691 58.100 0.087 0.000 1.276 545 Y CB -0.329 38.178 38.460 0.078 0.000 1.087 545 Y HN 0.277 nan 8.280 nan 0.000 0.519 546 A N 0.327 123.296 122.820 0.248 0.000 2.505 546 A HA 0.405 4.725 4.320 0.001 0.000 0.271 546 A C 1.610 179.376 177.584 0.304 0.000 1.112 546 A CA 0.796 52.979 52.037 0.243 0.000 0.781 546 A CB -1.006 17.975 19.000 -0.031 0.000 1.059 546 A HN 0.872 nan 8.150 nan 0.000 0.508 547 G N 2.205 111.211 108.800 0.343 0.000 2.162 547 G HA2 -0.244 3.716 3.960 0.001 0.000 0.260 547 G HA3 -0.244 3.716 3.960 0.001 0.000 0.260 547 G C 0.180 175.237 174.900 0.262 0.000 0.976 547 G CA 0.889 46.113 45.100 0.206 0.000 0.655 547 G HN 0.813 nan 8.290 nan 0.000 0.533 548 K N -0.027 120.530 120.400 0.262 0.000 2.207 548 K HA 0.685 5.005 4.320 0.001 0.000 0.255 548 K C 0.358 177.082 176.600 0.206 0.000 0.941 548 K CA -0.023 56.392 56.287 0.215 0.000 0.825 548 K CB 2.078 34.698 32.500 0.199 0.000 1.119 548 K HN 1.075 nan 8.250 nan 0.000 0.430 549 G N 0.389 109.256 108.800 0.111 0.000 2.353 549 G HA2 0.308 4.268 3.960 0.001 0.000 0.308 549 G HA3 0.308 4.268 3.960 0.001 0.000 0.308 549 G C -1.501 173.359 174.900 -0.066 0.000 1.418 549 G CA -0.664 44.441 45.100 0.007 0.000 0.966 549 G HN 0.646 nan 8.290 nan 0.000 0.638 550 A N 0.381 123.086 122.820 -0.192 0.000 2.531 550 A HA 0.583 4.904 4.320 0.001 0.000 0.236 550 A C 1.087 178.623 177.584 -0.080 0.000 1.062 550 A CA 0.964 52.912 52.037 -0.149 0.000 0.760 550 A CB -0.039 18.795 19.000 -0.276 0.000 0.995 550 A HN 1.740 nan 8.150 nan 0.000 0.501 551 S N 0.950 116.660 115.700 0.018 0.000 2.549 551 S HA 0.462 4.933 4.470 0.001 0.000 0.279 551 S C 0.626 175.275 174.600 0.081 0.000 1.321 551 S CA 0.321 58.512 58.200 -0.016 0.000 1.054 551 S CB 0.440 63.584 63.200 -0.093 0.000 0.899 551 S HN 1.045 nan 8.310 nan 0.000 0.497 552 T N 0.617 115.160 114.554 -0.020 0.000 2.893 552 T HA 0.478 4.828 4.350 0.001 0.000 0.291 552 T C -2.590 172.039 174.700 -0.118 0.000 1.028 552 T CA -2.234 59.890 62.100 0.040 0.000 0.995 552 T CB 1.700 70.601 68.868 0.055 0.000 1.051 552 T HN 0.088 nan 8.240 nan 0.000 0.470 553 P HA -0.205 nan 4.420 nan 0.000 0.215 553 P C 1.957 179.009 177.300 -0.413 0.000 1.157 553 P CA 1.889 64.824 63.100 -0.276 0.000 0.874 553 P CB -0.014 31.512 31.700 -0.291 0.000 0.790 554 S N -0.457 114.995 115.700 -0.415 0.000 2.338 554 S HA -0.243 4.228 4.470 0.001 0.000 0.218 554 S C 2.055 175.938 174.600 -1.194 0.000 1.032 554 S CA 1.100 58.843 58.200 -0.762 0.000 0.999 554 S CB -1.632 61.140 63.200 -0.714 0.000 0.905 554 S HN 0.180 nan 8.310 nan 0.000 0.439 555 Q N 0.688 119.948 119.800 -0.901 0.000 2.197 555 Q HA -0.094 4.247 4.340 0.001 0.000 0.207 555 Q C 2.282 178.141 176.000 -0.234 0.000 0.984 555 Q CA 1.811 57.319 55.803 -0.492 0.000 0.869 555 Q CB -0.685 27.984 28.738 -0.115 0.000 0.906 555 Q HN 0.655 nan 8.270 nan 0.000 0.426 556 T N 0.557 114.956 114.554 -0.258 0.000 2.812 556 T HA -0.081 4.270 4.350 0.001 0.000 0.264 556 T C 1.920 176.524 174.700 -0.162 0.000 1.042 556 T CA 1.074 63.117 62.100 -0.095 0.000 1.140 556 T CB -0.210 68.495 68.868 -0.272 0.000 0.870 556 T HN 0.404 nan 8.240 nan 0.000 0.445 557 A N 0.979 123.619 122.820 -0.300 0.000 1.933 557 A HA -0.091 4.230 4.320 0.001 0.000 0.218 557 A C 2.110 179.627 177.584 -0.111 0.000 1.175 557 A CA 1.154 53.054 52.037 -0.229 0.000 0.628 557 A CB -0.839 18.004 19.000 -0.261 0.000 0.814 557 A HN 0.551 nan 8.150 nan 0.000 0.444 558 W N -0.446 120.716 121.300 -0.229 0.000 2.378 558 W HA -0.022 4.638 4.660 0.001 0.000 0.313 558 W C 2.835 179.181 176.519 -0.289 0.000 1.197 558 W CA 0.809 58.001 57.345 -0.255 0.000 1.304 558 W CB -1.392 27.919 29.460 -0.248 0.000 1.148 558 W HN 0.419 nan 8.180 nan 0.000 0.494 559 A N -0.166 122.547 122.820 -0.179 0.000 2.019 559 A HA -0.132 4.188 4.320 0.001 0.000 0.219 559 A C 2.038 179.247 177.584 -0.625 0.000 1.164 559 A CA 1.402 53.084 52.037 -0.592 0.000 0.644 559 A CB -0.818 17.341 19.000 -1.402 0.000 0.805 559 A HN 0.188 nan 8.150 nan 0.000 0.449 560 L N -0.812 120.152 121.223 -0.430 0.000 2.156 560 L HA -0.031 4.309 4.340 0.001 0.000 0.208 560 L C 2.505 179.305 176.870 -0.116 0.000 1.095 560 L CA 1.619 56.315 54.840 -0.241 0.000 0.770 560 L CB -0.433 41.555 42.059 -0.119 0.000 0.914 560 L HN 0.412 nan 8.230 nan 0.000 0.439 561 M N -1.903 117.652 119.600 -0.075 0.000 2.156 561 M HA -0.106 4.375 4.480 0.001 0.000 0.264 561 M C 2.299 178.575 176.300 -0.039 0.000 1.067 561 M CA 1.413 56.703 55.300 -0.017 0.000 1.131 561 M CB -0.523 32.096 32.600 0.032 0.000 1.368 561 M HN 0.319 nan 8.290 nan 0.000 0.416 562 A N 0.915 123.688 122.820 -0.077 0.000 1.940 562 A HA -0.147 4.173 4.320 0.001 0.000 0.219 562 A C 2.105 179.661 177.584 -0.046 0.000 1.176 562 A CA 1.505 53.502 52.037 -0.066 0.000 0.631 562 A CB -0.920 18.035 19.000 -0.075 0.000 0.814 562 A HN 0.450 nan 8.150 nan 0.000 0.446 563 L N -0.744 120.440 121.223 -0.065 0.000 2.023 563 L HA -0.116 4.224 4.340 0.001 0.000 0.205 563 L C 2.478 179.362 176.870 0.023 0.000 1.073 563 L CA 1.204 56.036 54.840 -0.013 0.000 0.745 563 L CB -0.593 41.461 42.059 -0.009 0.000 0.900 563 L HN 0.336 nan 8.230 nan 0.000 0.435 564 I N 0.319 120.908 120.570 0.033 0.000 2.248 564 I HA -0.313 3.858 4.170 0.001 0.000 0.248 564 I C 2.761 178.897 176.117 0.033 0.000 1.107 564 I CA 1.260 62.597 61.300 0.062 0.000 1.373 564 I CB -0.504 37.544 38.000 0.080 0.000 1.055 564 I HN 0.238 nan 8.210 nan 0.000 0.418 565 A N 0.734 123.561 122.820 0.011 0.000 1.929 565 A HA -0.014 4.307 4.320 0.001 0.000 0.216 565 A C 2.300 179.882 177.584 -0.004 0.000 1.176 565 A CA 1.496 53.531 52.037 -0.003 0.000 0.628 565 A CB -1.087 17.899 19.000 -0.023 0.000 0.816 565 A HN 0.449 nan 8.150 nan 0.000 0.444 566 G N -1.937 106.862 108.800 -0.001 0.000 2.956 566 G HA2 0.349 4.309 3.960 0.001 0.000 0.207 566 G HA3 0.349 4.309 3.960 0.001 0.000 0.207 566 G C 1.198 176.108 174.900 0.016 0.000 1.162 566 G CA 0.601 45.702 45.100 0.002 0.000 0.796 566 G HN 1.596 nan 8.290 nan 0.000 0.527 567 G N 0.407 109.222 108.800 0.024 0.000 2.253 567 G HA2 -0.315 3.645 3.960 0.001 0.000 0.251 567 G HA3 -0.315 3.645 3.960 0.001 0.000 0.251 567 G C 1.138 176.067 174.900 0.048 0.000 0.998 567 G CA 0.321 45.440 45.100 0.032 0.000 0.621 567 G HN 0.552 nan 8.290 nan 0.000 0.524 568 R N 0.813 121.346 120.500 0.055 0.000 2.535 568 R HA 0.470 4.810 4.340 0.001 0.000 0.233 568 R C 2.490 178.854 176.300 0.106 0.000 1.202 568 R CA 0.561 56.706 56.100 0.074 0.000 1.205 568 R CB -0.185 30.160 30.300 0.074 0.000 1.153 568 R HN 0.489 nan 8.270 nan 0.000 0.512 569 A N 1.298 124.185 122.820 0.113 0.000 1.972 569 A HA -0.184 4.137 4.320 0.001 0.000 0.219 569 A C 1.544 179.278 177.584 0.251 0.000 1.169 569 A CA 1.036 53.186 52.037 0.189 0.000 0.635 569 A CB -0.061 19.026 19.000 0.145 0.000 0.810 569 A HN 0.366 nan 8.150 nan 0.000 0.446 570 E N 0.253 120.545 120.200 0.153 0.000 2.354 570 E HA 0.289 4.639 4.350 0.001 0.000 0.252 570 E C -0.018 176.660 176.600 0.130 0.000 1.330 570 E CA -0.216 56.272 56.400 0.145 0.000 1.658 570 E CB -0.123 29.625 29.700 0.081 0.000 1.460 570 E HN 0.435 nan 8.360 nan 0.000 0.435 571 S N -0.301 115.487 115.700 0.147 0.000 2.766 571 S HA 0.189 4.660 4.470 0.001 0.000 0.307 571 S C 0.889 175.558 174.600 0.116 0.000 1.121 571 S CA -0.561 57.709 58.200 0.117 0.000 0.980 571 S CB 1.582 64.850 63.200 0.113 0.000 1.159 571 S HN 0.333 nan 8.310 nan 0.000 0.546 572 E N 1.316 121.570 120.200 0.090 0.000 2.008 572 E HA 0.123 4.473 4.350 0.001 0.000 0.191 572 E C 2.068 178.712 176.600 0.074 0.000 0.986 572 E CA 2.014 58.456 56.400 0.071 0.000 0.807 572 E CB -0.984 28.744 29.700 0.046 0.000 0.766 572 E HN 0.657 nan 8.360 nan 0.000 0.450 573 A N 1.214 124.087 122.820 0.088 0.000 1.927 573 A HA -0.201 4.119 4.320 0.001 0.000 0.220 573 A C 2.439 180.146 177.584 0.206 0.000 1.185 573 A CA 2.765 54.871 52.037 0.115 0.000 0.639 573 A CB -1.299 17.828 19.000 0.212 0.000 0.820 573 A HN 0.417 nan 8.150 nan 0.000 0.451 574 A N -0.372 122.568 122.820 0.200 0.000 1.841 574 A HA -0.220 4.101 4.320 0.001 0.000 0.216 574 A C 2.266 179.882 177.584 0.055 0.000 1.199 574 A CA 2.042 54.179 52.037 0.166 0.000 0.621 574 A CB -0.646 18.454 19.000 0.168 0.000 0.835 574 A HN 0.559 nan 8.150 nan 0.000 0.445 575 R N -0.521 120.025 120.500 0.076 0.000 2.127 575 R HA -0.134 4.206 4.340 0.001 0.000 0.238 575 R C 2.393 178.704 176.300 0.018 0.000 1.134 575 R CA 1.462 57.588 56.100 0.043 0.000 0.975 575 R CB -0.215 30.172 30.300 0.145 0.000 0.865 575 R HN 0.564 nan 8.270 nan 0.000 0.447 576 R N -0.787 119.731 120.500 0.030 0.000 2.062 576 R HA -0.068 4.273 4.340 0.001 0.000 0.231 576 R C 2.398 178.702 176.300 0.007 0.000 1.136 576 R CA 1.417 57.519 56.100 0.003 0.000 0.948 576 R CB -0.624 29.648 30.300 -0.047 0.000 0.845 576 R HN 0.369 nan 8.270 nan 0.000 0.430 577 G N 0.653 109.466 108.800 0.022 0.000 2.442 577 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 577 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 577 G C 1.485 176.435 174.900 0.084 0.000 1.141 577 G CA 0.909 46.067 45.100 0.096 0.000 0.763 577 G HN 0.139 nan 8.290 nan 0.000 0.554 578 V N 0.450 120.346 119.914 -0.030 0.000 2.343 578 V HA -0.235 3.886 4.120 0.001 0.000 0.247 578 V C 2.746 178.878 176.094 0.063 0.000 1.051 578 V CA 2.209 64.453 62.300 -0.094 0.000 1.036 578 V CB -0.558 31.041 31.823 -0.372 0.000 0.654 578 V HN 0.395 nan 8.190 nan 0.000 0.451 579 Q N -0.231 119.615 119.800 0.076 0.000 2.077 579 Q HA -0.266 4.074 4.340 0.001 0.000 0.206 579 Q C 2.067 178.152 176.000 0.142 0.000 0.989 579 Q CA 2.320 58.184 55.803 0.103 0.000 0.853 579 Q CB -0.796 27.985 28.738 0.072 0.000 0.907 579 Q HN 0.705 nan 8.270 nan 0.000 0.418 580 Y N 0.352 120.665 120.300 0.022 0.000 2.040 580 Y HA -0.304 4.246 4.550 0.001 0.000 0.275 580 Y C 1.819 177.781 175.900 0.103 0.000 1.171 580 Y CA 2.311 60.432 58.100 0.034 0.000 1.123 580 Y CB -0.608 37.848 38.460 -0.007 0.000 0.963 580 Y HN 0.193 nan 8.280 nan 0.000 0.493 581 L N -1.079 120.426 121.223 0.470 0.000 2.043 581 L HA -0.278 4.063 4.340 0.001 0.000 0.212 581 L C 2.379 179.563 176.870 0.523 0.000 1.075 581 L CA 1.501 56.596 54.840 0.424 0.000 0.752 581 L CB -1.036 41.110 42.059 0.145 0.000 0.891 581 L HN 0.170 nan 8.230 nan 0.000 0.432 582 V N -0.158 119.952 119.914 0.327 0.000 2.295 582 V HA -0.268 3.853 4.120 0.001 0.000 0.246 582 V C 2.387 178.570 176.094 0.149 0.000 1.049 582 V CA 1.937 64.388 62.300 0.253 0.000 1.024 582 V CB -0.557 31.379 31.823 0.188 0.000 0.648 582 V HN 0.479 nan 8.190 nan 0.000 0.447 583 E N 0.673 120.926 120.200 0.088 0.000 2.016 583 E HA -0.169 4.181 4.350 0.001 0.000 0.190 583 E C 2.283 178.866 176.600 -0.028 0.000 0.985 583 E CA 1.740 58.139 56.400 -0.001 0.000 0.802 583 E CB -0.500 29.167 29.700 -0.055 0.000 0.762 583 E HN 0.759 nan 8.360 nan 0.000 0.448 584 T N -0.502 114.023 114.554 -0.047 0.000 3.077 584 T HA -0.193 4.158 4.350 0.001 0.000 0.269 584 T C 1.028 175.774 174.700 0.075 0.000 1.146 584 T CA 0.355 62.441 62.100 -0.023 0.000 1.091 584 T CB -0.148 68.637 68.868 -0.138 0.000 0.892 584 T HN 0.053 nan 8.240 nan 0.000 0.533 585 Q N 1.142 120.950 119.800 0.014 0.000 2.432 585 Q HA 0.130 4.471 4.340 0.001 0.000 0.264 585 Q C -0.069 175.683 176.000 -0.413 0.000 1.035 585 Q CA -0.322 55.136 55.803 -0.576 0.000 0.908 585 Q CB 0.569 28.929 28.738 -0.629 0.000 1.280 585 Q HN 0.484 nan 8.270 nan 0.000 0.455 586 R N 2.958 123.147 120.500 -0.519 0.000 2.546 586 R HA 0.186 4.527 4.340 0.001 0.000 0.266 586 R C -1.725 174.396 176.300 -0.299 0.000 1.086 586 R CA -1.746 54.161 56.100 -0.322 0.000 1.160 586 R CB 0.071 30.195 30.300 -0.294 0.000 1.138 586 R HN 0.556 nan 8.270 nan 0.000 0.567 587 P HA -0.163 nan 4.420 nan 0.000 0.217 587 P C 0.212 177.409 177.300 -0.173 0.000 1.150 587 P CA 1.325 64.330 63.100 -0.159 0.000 0.832 587 P CB 0.100 31.735 31.700 -0.108 0.000 0.787 588 D N -2.094 118.179 120.400 -0.213 0.000 2.348 588 D HA 0.035 4.675 4.640 0.001 0.000 0.216 588 D C 1.475 177.600 176.300 -0.293 0.000 0.970 588 D CA 1.140 55.019 54.000 -0.201 0.000 0.889 588 D CB -0.880 39.804 40.800 -0.192 0.000 0.912 588 D HN 0.240 nan 8.370 nan 0.000 0.524 589 G N -1.218 107.323 108.800 -0.431 0.000 2.201 589 G HA2 -0.128 3.832 3.960 0.001 0.000 0.212 589 G HA3 -0.128 3.832 3.960 0.001 0.000 0.212 589 G C 0.690 175.128 174.900 -0.770 0.000 0.994 589 G CA 0.033 44.844 45.100 -0.480 0.000 0.644 589 G HN 0.775 nan 8.290 nan 0.000 0.508 590 G N -1.510 106.692 108.800 -0.997 0.000 2.504 590 G HA2 0.509 4.470 3.960 0.001 0.000 0.257 590 G HA3 0.509 4.470 3.960 0.001 0.000 0.257 590 G C -0.343 174.289 174.900 -0.447 0.000 1.451 590 G CA -0.201 44.447 45.100 -0.754 0.000 1.059 590 G HN 0.388 nan 8.290 nan 0.000 0.550 591 W N -1.275 120.112 121.300 0.144 0.000 3.363 591 W HA 0.319 4.980 4.660 0.001 0.000 0.306 591 W C -1.378 175.151 176.519 0.017 0.000 1.253 591 W CA -0.557 56.816 57.345 0.047 0.000 1.195 591 W CB 2.005 31.488 29.460 0.038 0.000 1.366 591 W HN 0.380 nan 8.180 nan 0.000 0.551 592 D N 1.229 121.784 120.400 0.258 0.000 2.217 592 D HA 0.330 4.971 4.640 0.001 0.000 0.248 592 D C -0.805 175.577 176.300 0.137 0.000 1.008 592 D CA -0.186 53.902 54.000 0.147 0.000 0.914 592 D CB 2.326 43.183 40.800 0.094 0.000 1.182 592 D HN 0.316 nan 8.370 nan 0.000 0.451 593 E N 1.396 121.647 120.200 0.086 0.000 2.738 593 E HA 0.133 4.484 4.350 0.001 0.000 0.347 593 E C -2.146 174.471 176.600 0.028 0.000 1.077 593 E CA -1.134 55.321 56.400 0.092 0.000 0.755 593 E CB 1.373 31.136 29.700 0.105 0.000 1.576 593 E HN 0.102 nan 8.360 nan 0.000 0.379 594 P HA -0.032 nan 4.420 nan 0.000 0.239 594 P C -0.578 176.439 177.300 -0.472 0.000 1.184 594 P CA 0.475 63.376 63.100 -0.332 0.000 0.760 594 P CB -0.100 31.300 31.700 -0.498 0.000 0.884 595 Y N -1.258 119.102 120.300 0.099 0.000 2.549 595 Y HA 0.414 4.965 4.550 0.001 0.000 0.339 595 Y C 0.680 176.739 175.900 0.266 0.000 1.053 595 Y CA -1.366 56.797 58.100 0.106 0.000 1.105 595 Y CB 0.558 39.067 38.460 0.081 0.000 1.258 595 Y HN -0.221 nan 8.280 nan 0.000 0.478 596 Y N 0.607 121.061 120.300 0.256 0.000 2.304 596 Y HA 0.256 4.807 4.550 0.001 0.000 0.328 596 Y C 1.118 177.115 175.900 0.160 0.000 1.123 596 Y CA -0.996 57.208 58.100 0.174 0.000 1.218 596 Y CB 1.276 39.824 38.460 0.146 0.000 1.207 596 Y HN 0.697 nan 8.280 nan 0.000 0.495 597 T N -1.811 112.935 114.554 0.321 0.000 3.058 597 T HA 0.362 4.712 4.350 0.001 0.000 0.278 597 T C 0.545 175.425 174.700 0.301 0.000 0.974 597 T CA 0.016 62.302 62.100 0.310 0.000 0.893 597 T CB 0.063 69.101 68.868 0.283 0.000 1.138 597 T HN 0.653 nan 8.240 nan 0.000 0.529 598 G N 0.611 109.538 108.800 0.212 0.000 2.389 598 G HA2 0.560 4.521 3.960 0.001 0.000 0.328 598 G HA3 0.560 4.521 3.960 0.001 0.000 0.328 598 G C -1.028 173.938 174.900 0.111 0.000 1.133 598 G CA -0.498 44.676 45.100 0.124 0.000 0.891 598 G HN 0.202 nan 8.290 nan 0.000 0.485 599 T N 0.747 115.302 114.554 0.001 0.000 2.824 599 T HA 0.544 4.894 4.350 0.001 0.000 0.282 599 T C 1.081 175.638 174.700 -0.238 0.000 0.993 599 T CA 0.191 62.207 62.100 -0.141 0.000 0.967 599 T CB 1.889 70.603 68.868 -0.256 0.000 0.960 599 T HN 0.616 nan 8.240 nan 0.000 0.441 600 G N 1.603 110.169 108.800 -0.392 0.000 2.641 600 G HA2 0.309 4.270 3.960 0.001 0.000 0.211 600 G HA3 0.309 4.270 3.960 0.001 0.000 0.211 600 G C -0.415 173.955 174.900 -0.883 0.000 1.190 600 G CA 0.156 44.971 45.100 -0.476 0.000 0.842 600 G HN 0.542 nan 8.290 nan 0.000 0.585 601 F N 1.122 120.786 119.950 -0.477 0.000 2.612 601 F HA 0.464 4.991 4.527 0.001 0.000 0.332 601 F C -2.483 172.900 175.800 -0.694 0.000 1.167 601 F CA -3.306 54.352 58.000 -0.570 0.000 0.970 601 F CB 2.006 40.705 39.000 -0.501 0.000 1.234 601 F HN -0.135 nan 8.300 nan 0.000 0.453 602 P HA 0.062 nan 4.420 nan 0.000 0.255 602 P C 0.901 178.004 177.300 -0.328 0.000 1.151 602 P CA 1.651 64.378 63.100 -0.621 0.000 0.767 602 P CB 0.268 31.896 31.700 -0.120 0.000 0.736 603 G N 3.141 111.786 108.800 -0.258 0.000 2.189 603 G HA2 -0.268 3.692 3.960 0.001 0.000 0.267 603 G HA3 -0.268 3.692 3.960 0.001 0.000 0.267 603 G C 0.688 175.616 174.900 0.048 0.000 0.975 603 G CA 0.449 45.615 45.100 0.110 0.000 0.644 603 G HN 0.515 nan 8.290 nan 0.000 0.537 604 D N -1.942 118.339 120.400 -0.198 0.000 2.348 604 D HA 0.268 4.909 4.640 0.001 0.000 0.283 604 D C -0.223 176.127 176.300 0.084 0.000 1.096 604 D CA 0.199 54.147 54.000 -0.087 0.000 0.863 604 D CB 0.759 41.270 40.800 -0.482 0.000 1.465 604 D HN 0.265 nan 8.370 nan 0.000 0.515 605 F N 1.299 120.991 119.950 -0.430 0.000 2.607 605 F HA 0.362 4.889 4.527 0.001 0.000 0.322 605 F C -1.797 173.637 175.800 -0.611 0.000 1.176 605 F CA -0.819 57.023 58.000 -0.264 0.000 0.977 605 F CB 1.025 39.934 39.000 -0.153 0.000 1.242 605 F HN -0.319 nan 8.300 nan 0.000 0.465 606 Y N 5.315 125.387 120.300 -0.379 0.000 2.509 606 Y HA 0.784 5.334 4.550 0.001 0.000 0.341 606 Y C -0.732 174.887 175.900 -0.469 0.000 1.038 606 Y CA -1.005 56.934 58.100 -0.267 0.000 1.089 606 Y CB 1.938 40.423 38.460 0.042 0.000 1.241 606 Y HN 0.413 nan 8.280 nan 0.000 0.468 607 L N 0.941 122.002 121.223 -0.271 0.000 2.333 607 L HA 0.840 5.181 4.340 0.001 0.000 0.263 607 L C 0.042 176.437 176.870 -0.792 0.000 1.014 607 L CA -1.148 53.362 54.840 -0.551 0.000 0.820 607 L CB 2.341 44.237 42.059 -0.271 0.000 1.352 607 L HN 0.831 nan 8.230 nan 0.000 0.421 608 G N 0.382 108.588 108.800 -0.989 0.000 2.671 608 G HA2 0.474 4.435 3.960 0.001 0.000 0.318 608 G HA3 0.474 4.435 3.960 0.001 0.000 0.318 608 G C -1.421 173.294 174.900 -0.308 0.000 1.250 608 G CA -0.182 44.526 45.100 -0.654 0.000 1.028 608 G HN 0.296 nan 8.290 nan 0.000 0.501 609 Y N 2.593 122.675 120.300 -0.363 0.000 2.556 609 Y HA 0.167 4.718 4.550 0.001 0.000 0.352 609 Y C 2.103 177.903 175.900 -0.165 0.000 1.006 609 Y CA -0.234 57.628 58.100 -0.396 0.000 1.277 609 Y CB 1.030 38.783 38.460 -1.179 0.000 1.136 609 Y HN 0.546 nan 8.280 nan 0.000 0.523 610 T N 2.360 116.931 114.554 0.028 0.000 2.737 610 T HA -0.211 4.140 4.350 0.001 0.000 0.269 610 T C 1.987 176.801 174.700 0.189 0.000 1.040 610 T CA 1.426 63.583 62.100 0.094 0.000 1.142 610 T CB -0.048 68.856 68.868 0.059 0.000 0.861 610 T HN 0.525 nan 8.240 nan 0.000 0.456 611 M N -0.315 119.443 119.600 0.263 0.000 2.349 611 M HA 0.069 4.550 4.480 0.001 0.000 0.266 611 M C 1.869 178.374 176.300 0.342 0.000 1.076 611 M CA 0.888 56.383 55.300 0.326 0.000 1.126 611 M CB -1.084 31.674 32.600 0.264 0.000 1.392 611 M HN 0.228 nan 8.290 nan 0.000 0.440 612 Y N 1.781 122.206 120.300 0.209 0.000 2.096 612 Y HA -0.290 4.261 4.550 0.001 0.000 0.278 612 Y C 2.552 178.520 175.900 0.113 0.000 1.192 612 Y CA 1.972 60.240 58.100 0.281 0.000 1.143 612 Y CB -1.262 37.441 38.460 0.405 0.000 0.963 612 Y HN 0.405 nan 8.280 nan 0.000 0.505 613 R N -0.629 119.949 120.500 0.130 0.000 2.249 613 R HA -0.160 4.180 4.340 0.001 0.000 0.230 613 R C 1.178 177.437 176.300 -0.069 0.000 1.121 613 R CA 1.878 57.930 56.100 -0.080 0.000 0.997 613 R CB -0.605 29.591 30.300 -0.173 0.000 0.867 613 R HN 0.436 nan 8.270 nan 0.000 0.465 614 H N -0.248 118.984 119.070 0.270 0.000 2.481 614 H HA 0.163 4.719 4.556 0.001 0.000 0.291 614 H C 2.287 177.700 175.328 0.142 0.000 1.009 614 H CA 0.767 57.021 56.048 0.342 0.000 1.282 614 H CB 0.118 30.108 29.762 0.379 0.000 1.457 614 H HN 0.013 nan 8.280 nan 0.000 0.525 615 V N 1.170 121.124 119.914 0.066 0.000 2.239 615 V HA -0.190 3.931 4.120 0.001 0.000 0.242 615 V C 2.263 178.184 176.094 -0.288 0.000 1.038 615 V CA 1.660 63.824 62.300 -0.227 0.000 1.002 615 V CB -0.853 30.675 31.823 -0.492 0.000 0.641 615 V HN 0.081 nan 8.190 nan 0.000 0.449 616 F N 0.306 120.166 119.950 -0.149 0.000 2.126 616 F HA -0.063 4.464 4.527 0.001 0.000 0.299 616 F C 0.101 175.754 175.800 -0.244 0.000 1.096 616 F CA 1.687 59.568 58.000 -0.197 0.000 1.255 616 F CB -2.301 36.529 39.000 -0.283 0.000 0.997 616 F HN 0.266 nan 8.300 nan 0.000 0.479 617 P HA -0.117 nan 4.420 nan 0.000 0.216 617 P C 1.600 178.771 177.300 -0.214 0.000 1.150 617 P CA 2.056 64.888 63.100 -0.447 0.000 0.837 617 P CB -0.180 30.808 31.700 -1.187 0.000 0.786 618 T N -0.204 114.319 114.554 -0.051 0.000 2.770 618 T HA -0.113 4.238 4.350 0.001 0.000 0.263 618 T C 1.675 176.369 174.700 -0.011 0.000 1.039 618 T CA 0.898 63.031 62.100 0.055 0.000 1.142 618 T CB -0.987 67.924 68.868 0.071 0.000 0.868 618 T HN 0.006 nan 8.240 nan 0.000 0.435 619 L N 1.596 122.782 121.223 -0.063 0.000 2.042 619 L HA -0.020 4.320 4.340 0.001 0.000 0.210 619 L C 2.566 179.435 176.870 -0.002 0.000 1.076 619 L CA 2.034 56.839 54.840 -0.058 0.000 0.749 619 L CB -1.003 41.006 42.059 -0.084 0.000 0.893 619 L HN 0.226 nan 8.230 nan 0.000 0.432 620 A N -0.503 122.322 122.820 0.008 0.000 1.877 620 A HA -0.159 4.161 4.320 0.001 0.000 0.216 620 A C 2.263 179.851 177.584 0.007 0.000 1.186 620 A CA 1.995 54.036 52.037 0.007 0.000 0.620 620 A CB -0.948 18.031 19.000 -0.035 0.000 0.822 620 A HN 0.507 nan 8.150 nan 0.000 0.443 621 L N -0.697 120.523 121.223 -0.005 0.000 2.083 621 L HA -0.125 4.216 4.340 0.001 0.000 0.209 621 L C 2.806 179.681 176.870 0.008 0.000 1.083 621 L CA 1.023 55.871 54.840 0.013 0.000 0.752 621 L CB -0.827 41.275 42.059 0.071 0.000 0.899 621 L HN 0.511 nan 8.230 nan 0.000 0.433 622 G N -0.214 108.596 108.800 0.015 0.000 2.422 622 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 622 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 622 G C 1.775 176.675 174.900 -0.000 0.000 1.146 622 G CA 0.356 45.460 45.100 0.007 0.000 0.769 622 G HN 0.299 nan 8.290 nan 0.000 0.547 623 R N -1.377 119.133 120.500 0.017 0.000 2.119 623 R HA 0.039 4.379 4.340 0.001 0.000 0.222 623 R C 2.216 178.535 176.300 0.033 0.000 1.088 623 R CA 0.699 56.815 56.100 0.026 0.000 0.984 623 R CB -0.359 29.967 30.300 0.044 0.000 0.884 623 R HN 0.461 nan 8.270 nan 0.000 0.447 624 Y N 2.036 122.266 120.300 -0.117 0.000 2.200 624 Y HA -0.172 4.379 4.550 0.001 0.000 0.290 624 Y C 2.151 177.921 175.900 -0.218 0.000 1.137 624 Y CA 1.408 59.411 58.100 -0.162 0.000 1.163 624 Y CB -0.033 38.291 38.460 -0.228 0.000 0.988 624 Y HN -0.194 nan 8.280 nan 0.000 0.518 625 K N -0.373 119.862 120.400 -0.276 0.000 2.362 625 K HA -0.161 4.159 4.320 0.001 0.000 0.200 625 K C 1.756 178.281 176.600 -0.125 0.000 1.046 625 K CA 1.094 57.216 56.287 -0.274 0.000 0.952 625 K CB 0.101 32.534 32.500 -0.111 0.000 0.753 625 K HN 0.363 nan 8.250 nan 0.000 0.466 626 Q N -0.567 119.174 119.800 -0.097 0.000 2.163 626 Q HA 0.025 4.366 4.340 0.001 0.000 0.198 626 Q C 1.845 177.804 176.000 -0.069 0.000 0.954 626 Q CA 1.097 56.870 55.803 -0.051 0.000 0.851 626 Q CB 0.068 28.795 28.738 -0.019 0.000 0.928 626 Q HN 0.341 nan 8.270 nan 0.000 0.459 627 A N -0.224 122.526 122.820 -0.117 0.000 2.239 627 A HA -0.012 4.309 4.320 0.001 0.000 0.209 627 A C 1.452 178.954 177.584 -0.136 0.000 1.171 627 A CA 0.810 52.780 52.037 -0.112 0.000 0.768 627 A CB -0.078 18.854 19.000 -0.112 0.000 0.790 627 A HN 0.210 nan 8.150 nan 0.000 0.478 628 I N -2.323 118.156 120.570 -0.152 0.000 3.674 628 I HA 0.502 4.673 4.170 0.001 0.000 0.248 628 I C 0.941 177.039 176.117 -0.032 0.000 1.134 628 I CA 1.496 62.736 61.300 -0.099 0.000 1.519 628 I CB 0.155 38.081 38.000 -0.122 0.000 1.598 628 I HN 0.291 nan 8.210 nan 0.000 0.442 629 E N 0.000 120.195 120.200 -0.009 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440