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 2bo4_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.370 174.600 -0.383 0.000 1.055 2 S CA 0.000 58.030 58.200 -0.283 0.000 1.107 2 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 3 L N 1.713 122.868 121.223 -0.114 0.000 2.289 3 L HA 0.820 5.161 4.340 0.001 0.000 0.285 3 L C -1.070 175.692 176.870 -0.179 0.000 1.049 3 L CA -0.292 54.498 54.840 -0.084 0.000 0.804 3 L CB 1.365 43.514 42.059 0.151 0.000 1.195 3 L HN 0.704 nan 8.230 nan 0.000 0.428 4 V N 5.845 125.626 119.914 -0.221 0.000 2.417 4 V HA 0.529 4.649 4.120 0.001 0.000 0.291 4 V C -0.467 175.391 176.094 -0.393 0.000 1.024 4 V CA -0.674 61.432 62.300 -0.322 0.000 0.861 4 V CB 1.798 33.431 31.823 -0.316 0.000 0.985 4 V HN 0.531 nan 8.190 nan 0.000 0.436 5 V N 5.365 124.945 119.914 -0.556 0.000 2.448 5 V HA 0.511 4.631 4.120 0.001 0.000 0.295 5 V C -0.802 175.014 176.094 -0.463 0.000 1.025 5 V CA -0.442 61.583 62.300 -0.457 0.000 0.859 5 V CB 1.518 32.976 31.823 -0.608 0.000 0.988 5 V HN 0.708 nan 8.190 nan 0.000 0.431 6 F N 6.216 126.186 119.950 0.033 0.000 2.325 6 F HA 0.471 4.998 4.527 0.001 0.000 0.369 6 F C -2.214 173.707 175.800 0.201 0.000 1.095 6 F CA -2.516 55.545 58.000 0.102 0.000 1.082 6 F CB 1.583 40.602 39.000 0.030 0.000 1.289 6 F HN 0.318 nan 8.300 nan 0.000 0.462 7 P HA 0.190 nan 4.420 nan 0.000 0.276 7 P C -0.893 176.593 177.300 0.310 0.000 1.230 7 P CA -0.043 63.209 63.100 0.253 0.000 0.776 7 P CB 0.491 32.309 31.700 0.196 0.000 0.888 8 F N 0.765 120.793 119.950 0.130 0.000 2.643 8 F HA 0.792 5.319 4.527 0.001 0.000 0.314 8 F C -0.491 175.371 175.800 0.104 0.000 1.096 8 F CA -1.074 56.994 58.000 0.112 0.000 0.953 8 F CB 1.750 40.794 39.000 0.074 0.000 1.345 8 F HN 0.176 nan 8.300 nan 0.000 0.468 9 K N -0.750 119.840 120.400 0.317 0.000 1.893 9 K HA 0.407 4.728 4.320 0.001 0.000 0.252 9 K C 0.555 177.306 176.600 0.252 0.000 0.877 9 K CA -0.803 55.582 56.287 0.164 0.000 0.735 9 K CB 0.203 32.821 32.500 0.197 0.000 1.814 9 K HN 0.667 nan 8.250 nan 0.000 0.602 10 H N 1.886 121.049 119.070 0.154 0.000 1.496 10 H HA -0.283 4.274 4.556 0.001 0.000 0.095 10 H C -0.484 174.921 175.328 0.130 0.000 1.058 10 H CA 2.292 58.416 56.048 0.125 0.000 1.892 10 H CB -0.783 29.041 29.762 0.104 0.000 2.251 10 H HN 0.636 nan 8.280 nan 0.000 0.962 11 E N 1.269 121.653 120.200 0.307 0.000 3.210 11 E HA -0.221 4.129 4.350 0.001 0.000 0.292 11 E C 0.064 176.756 176.600 0.154 0.000 1.931 11 E CA 0.386 56.913 56.400 0.212 0.000 1.111 11 E CB -0.737 29.098 29.700 0.224 0.000 0.794 11 E HN 0.393 nan 8.360 nan 0.000 0.342 12 H N 4.360 123.469 119.070 0.065 0.000 3.209 12 H HA -0.079 4.477 4.556 0.001 0.000 0.297 12 H C -1.259 174.060 175.328 -0.014 0.000 0.936 12 H CA -0.098 55.965 56.048 0.026 0.000 1.392 12 H CB 0.841 30.608 29.762 0.009 0.000 1.349 12 H HN 0.343 nan 8.280 nan 0.000 0.568 13 P HA -0.113 nan 4.420 nan 0.000 0.220 13 P C 1.069 178.349 177.300 -0.034 0.000 1.148 13 P CA 1.045 64.071 63.100 -0.124 0.000 0.803 13 P CB 0.329 31.920 31.700 -0.182 0.000 0.782 14 E N -0.380 119.910 120.200 0.150 0.000 2.150 14 E HA -0.088 4.262 4.350 0.001 0.000 0.193 14 E C 2.017 178.635 176.600 0.030 0.000 0.985 14 E CA 0.736 57.198 56.400 0.103 0.000 0.814 14 E CB -0.508 29.284 29.700 0.154 0.000 0.752 14 E HN -0.011 nan 8.360 nan 0.000 0.466 15 V N 0.788 120.721 119.914 0.031 0.000 2.307 15 V HA -0.227 3.894 4.120 0.001 0.000 0.245 15 V C 2.195 178.236 176.094 -0.088 0.000 1.045 15 V CA 1.404 63.693 62.300 -0.019 0.000 1.024 15 V CB -0.436 31.381 31.823 -0.009 0.000 0.651 15 V HN 0.295 nan 8.190 nan 0.000 0.449 16 L N -0.099 121.038 121.223 -0.143 0.000 2.012 16 L HA -0.150 4.190 4.340 0.001 0.000 0.210 16 L C 2.198 178.855 176.870 -0.356 0.000 1.073 16 L CA 1.935 56.591 54.840 -0.306 0.000 0.748 16 L CB -0.663 41.201 42.059 -0.326 0.000 0.891 16 L HN 0.202 nan 8.230 nan 0.000 0.431 17 L N -0.992 120.096 121.223 -0.225 0.000 2.083 17 L HA -0.239 4.102 4.340 0.001 0.000 0.209 17 L C 2.707 179.490 176.870 -0.144 0.000 1.083 17 L CA 1.467 56.194 54.840 -0.187 0.000 0.752 17 L CB -0.895 41.093 42.059 -0.118 0.000 0.899 17 L HN 0.534 nan 8.230 nan 0.000 0.433 18 H N 0.575 119.538 119.070 -0.179 0.000 2.321 18 H HA -0.159 4.397 4.556 0.001 0.000 0.300 18 H C 1.876 177.109 175.328 -0.157 0.000 1.087 18 H CA 1.862 57.827 56.048 -0.138 0.000 1.319 18 H CB 0.236 29.933 29.762 -0.109 0.000 1.379 18 H HN 0.333 nan 8.280 nan 0.000 0.501 19 N N 0.508 119.009 118.700 -0.332 0.000 2.166 19 N HA -0.123 4.617 4.740 0.001 0.000 0.186 19 N C 2.230 177.445 175.510 -0.491 0.000 1.019 19 N CA 1.055 53.825 53.050 -0.467 0.000 0.856 19 N CB -0.481 37.492 38.487 -0.856 0.000 0.993 19 N HN 0.181 nan 8.380 nan 0.000 0.426 20 V N 1.441 121.011 119.914 -0.573 0.000 2.343 20 V HA -0.176 3.945 4.120 0.001 0.000 0.247 20 V C 2.351 178.387 176.094 -0.098 0.000 1.051 20 V CA 1.440 63.582 62.300 -0.262 0.000 1.036 20 V CB -0.341 31.337 31.823 -0.242 0.000 0.654 20 V HN 0.274 nan 8.190 nan 0.000 0.451 21 R N -0.606 119.802 120.500 -0.154 0.000 2.096 21 R HA -0.111 4.229 4.340 0.001 0.000 0.235 21 R C 2.235 178.469 176.300 -0.110 0.000 1.127 21 R CA 1.333 57.363 56.100 -0.117 0.000 0.968 21 R CB -0.462 29.763 30.300 -0.125 0.000 0.861 21 R HN 0.406 nan 8.270 nan 0.000 0.440 22 V N 0.916 120.732 119.914 -0.162 0.000 2.261 22 V HA -0.252 3.868 4.120 0.001 0.000 0.246 22 V C 2.462 178.556 176.094 -0.001 0.000 1.047 22 V CA 2.025 64.242 62.300 -0.138 0.000 1.015 22 V CB -0.739 30.940 31.823 -0.240 0.000 0.642 22 V HN 0.404 nan 8.190 nan 0.000 0.446 23 A N 0.048 122.965 122.820 0.162 0.000 1.883 23 A HA -0.170 4.150 4.320 0.001 0.000 0.217 23 A C 2.406 180.025 177.584 0.059 0.000 1.186 23 A CA 2.314 54.444 52.037 0.155 0.000 0.624 23 A CB -0.896 18.283 19.000 0.298 0.000 0.822 23 A HN 0.599 nan 8.150 nan 0.000 0.444 24 A N -0.557 122.290 122.820 0.045 0.000 1.972 24 A HA 0.226 4.546 4.320 0.001 0.000 0.219 24 A C 2.309 179.899 177.584 0.009 0.000 1.169 24 A CA 1.867 53.913 52.037 0.016 0.000 0.635 24 A CB -0.710 18.294 19.000 0.006 0.000 0.810 24 A HN 1.099 nan 8.150 nan 0.000 0.446 25 A N -1.807 121.014 122.820 0.002 0.000 2.169 25 A HA 0.082 4.403 4.320 0.001 0.000 0.212 25 A C 1.095 178.673 177.584 -0.011 0.000 1.153 25 A CA -0.019 52.009 52.037 -0.015 0.000 0.756 25 A CB -0.500 18.476 19.000 -0.040 0.000 0.813 25 A HN 0.600 nan 8.150 nan 0.000 0.471 26 H N 0.821 119.845 119.070 -0.077 0.000 2.803 26 H HA 0.154 4.711 4.556 0.001 0.000 0.330 26 H C -1.800 173.483 175.328 -0.075 0.000 1.057 26 H CA -1.523 54.474 56.048 -0.086 0.000 1.458 26 H CB 1.324 31.019 29.762 -0.112 0.000 1.470 26 H HN 0.047 nan 8.280 nan 0.000 0.560 27 P HA -0.074 nan 4.420 nan 0.000 0.221 27 P C 0.866 178.204 177.300 0.063 0.000 1.145 27 P CA 1.218 64.293 63.100 -0.041 0.000 0.795 27 P CB 0.225 31.857 31.700 -0.113 0.000 0.775 28 R N -1.133 119.490 120.500 0.206 0.000 2.334 28 R HA 0.175 4.515 4.340 0.001 0.000 0.216 28 R C -0.001 176.080 176.300 -0.366 0.000 0.905 28 R CA 0.016 56.101 56.100 -0.026 0.000 1.064 28 R CB 0.285 30.640 30.300 0.092 0.000 1.046 28 R HN 0.070 nan 8.270 nan 0.000 0.508 29 V N 2.073 121.846 119.914 -0.235 0.000 2.406 29 V HA 0.069 4.189 4.120 0.001 0.000 0.272 29 V C 0.553 176.449 176.094 -0.330 0.000 1.043 29 V CA -0.325 61.764 62.300 -0.352 0.000 0.915 29 V CB 1.203 32.903 31.823 -0.205 0.000 0.988 29 V HN 0.257 nan 8.190 nan 0.000 0.466 30 H N 2.797 121.590 119.070 -0.461 0.000 2.648 30 H HA 0.379 4.935 4.556 0.001 0.000 0.265 30 H C 0.554 175.605 175.328 -0.461 0.000 0.961 30 H CA 0.193 55.869 56.048 -0.621 0.000 1.185 30 H CB 0.842 29.794 29.762 -1.350 0.000 1.449 30 H HN 0.739 nan 8.280 nan 0.000 0.523 31 E N 0.149 120.191 120.200 -0.264 0.000 2.378 31 E HA 0.414 4.765 4.350 0.001 0.000 0.283 31 E C -1.774 174.812 176.600 -0.024 0.000 0.979 31 E CA -0.465 55.919 56.400 -0.026 0.000 0.795 31 E CB 2.095 31.928 29.700 0.221 0.000 1.221 31 E HN -0.158 nan 8.360 nan 0.000 0.428 32 V N 3.610 123.541 119.914 0.028 0.000 2.604 32 V HA 0.598 4.718 4.120 0.001 0.000 0.305 32 V C -0.891 175.213 176.094 0.015 0.000 1.043 32 V CA -0.832 61.482 62.300 0.024 0.000 0.888 32 V CB 1.563 33.433 31.823 0.079 0.000 0.995 32 V HN 0.601 nan 8.190 nan 0.000 0.429 33 L N 5.178 126.386 121.223 -0.024 0.000 2.406 33 L HA 0.727 5.067 4.340 0.001 0.000 0.272 33 L C -0.724 176.154 176.870 0.013 0.000 0.980 33 L CA 0.159 54.943 54.840 -0.093 0.000 0.831 33 L CB 1.425 43.337 42.059 -0.244 0.000 1.253 33 L HN 0.771 nan 8.230 nan 0.000 0.406 34 C N 5.774 125.106 119.300 0.052 0.000 2.329 34 C HA 0.678 5.139 4.460 0.001 0.000 0.329 34 C C -0.181 174.947 174.990 0.230 0.000 1.275 34 C CA -0.942 58.210 59.018 0.222 0.000 1.726 34 C CB 0.615 28.445 27.740 0.150 0.000 2.291 34 C HN 0.541 nan 8.230 nan 0.000 0.514 35 I N 3.142 123.854 120.570 0.237 0.000 2.389 35 I HA 0.579 4.750 4.170 0.001 0.000 0.288 35 I C 0.545 176.433 176.117 -0.383 0.000 0.999 35 I CA 0.398 61.714 61.300 0.027 0.000 1.129 35 I CB 1.064 39.089 38.000 0.042 0.000 1.288 35 I HN 0.895 nan 8.210 nan 0.000 0.444 36 G N 3.739 112.243 108.800 -0.495 0.000 2.630 36 G HA2 0.365 4.325 3.960 0.001 0.000 0.296 36 G HA3 0.365 4.325 3.960 0.001 0.000 0.296 36 G C -0.246 174.537 174.900 -0.196 0.000 1.285 36 G CA -0.342 44.271 45.100 -0.812 0.000 0.958 36 G HN 0.572 nan 8.290 nan 0.000 0.479 37 Y N 0.065 120.206 120.300 -0.265 0.000 2.243 37 Y HA 0.157 4.708 4.550 0.001 0.000 0.293 37 Y C 1.258 177.081 175.900 -0.128 0.000 1.124 37 Y CA 1.708 59.711 58.100 -0.162 0.000 1.159 37 Y CB 0.408 38.768 38.460 -0.166 0.000 1.008 37 Y HN 0.628 nan 8.280 nan 0.000 0.527 38 E N -0.413 119.705 120.200 -0.136 0.000 2.446 38 E HA 0.251 4.602 4.350 0.001 0.000 0.276 38 E C -1.040 175.396 176.600 -0.273 0.000 0.969 38 E CA -1.178 55.082 56.400 -0.234 0.000 0.800 38 E CB 1.162 30.808 29.700 -0.090 0.000 1.341 38 E HN 0.023 nan 8.360 nan 0.000 0.460 39 R N 1.568 121.826 120.500 -0.405 0.000 3.701 39 R HA 0.074 4.415 4.340 0.001 0.000 0.210 39 R C -0.663 175.563 176.300 -0.124 0.000 1.598 39 R CA -0.019 55.795 56.100 -0.477 0.000 1.427 39 R CB -0.558 29.456 30.300 -0.476 0.000 1.339 39 R HN 0.454 nan 8.270 nan 0.000 0.720 40 D N -0.111 120.301 120.400 0.019 0.000 2.507 40 D HA -0.025 4.615 4.640 0.001 0.000 0.280 40 D C 0.622 176.987 176.300 0.108 0.000 1.219 40 D CA -0.383 53.655 54.000 0.063 0.000 1.085 40 D CB 0.492 41.336 40.800 0.073 0.000 1.134 40 D HN 0.158 nan 8.370 nan 0.000 0.583 41 Q N -1.251 118.593 119.800 0.074 0.000 2.167 41 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 41 Q C 1.943 177.972 176.000 0.050 0.000 0.970 41 Q CA 1.759 57.592 55.803 0.050 0.000 0.855 41 Q CB -0.196 28.549 28.738 0.011 0.000 0.911 41 Q HN 0.547 nan 8.270 nan 0.000 0.438 42 T N -0.169 114.429 114.554 0.073 0.000 2.708 42 T HA -0.195 4.155 4.350 0.001 0.000 0.266 42 T C 1.335 176.041 174.700 0.010 0.000 1.037 42 T CA 1.205 63.315 62.100 0.016 0.000 1.146 42 T CB -0.444 68.472 68.868 0.081 0.000 0.865 42 T HN 0.339 nan 8.240 nan 0.000 0.435 43 Y N 2.249 122.618 120.300 0.115 0.000 2.165 43 Y HA -0.169 4.382 4.550 0.001 0.000 0.286 43 Y C 2.364 178.282 175.900 0.031 0.000 1.155 43 Y CA 1.429 59.629 58.100 0.166 0.000 1.164 43 Y CB -0.234 38.383 38.460 0.261 0.000 0.978 43 Y HN 0.296 nan 8.280 nan 0.000 0.513 44 E N -0.421 119.944 120.200 0.275 0.000 2.150 44 E HA -0.160 4.191 4.350 0.001 0.000 0.193 44 E C 2.371 178.994 176.600 0.039 0.000 0.985 44 E CA 0.843 57.341 56.400 0.163 0.000 0.814 44 E CB -0.330 29.435 29.700 0.108 0.000 0.752 44 E HN 0.556 nan 8.360 nan 0.000 0.466 45 A N 1.365 124.177 122.820 -0.013 0.000 1.902 45 A HA -0.122 4.198 4.320 0.001 0.000 0.217 45 A C 2.554 180.075 177.584 -0.105 0.000 1.181 45 A CA 1.161 53.160 52.037 -0.063 0.000 0.623 45 A CB -0.577 18.370 19.000 -0.089 0.000 0.818 45 A HN 0.105 nan 8.150 nan 0.000 0.443 46 V N -0.203 119.604 119.914 -0.178 0.000 2.379 46 V HA -0.221 3.899 4.120 0.001 0.000 0.245 46 V C 2.471 178.471 176.094 -0.158 0.000 1.044 46 V CA 2.219 64.384 62.300 -0.225 0.000 1.036 46 V CB -0.790 30.801 31.823 -0.387 0.000 0.664 46 V HN 0.733 nan 8.190 nan 0.000 0.453 47 E N 0.365 120.485 120.200 -0.134 0.000 2.160 47 E HA -0.250 4.100 4.350 0.001 0.000 0.195 47 E C 2.371 178.955 176.600 -0.026 0.000 0.991 47 E CA 1.435 57.799 56.400 -0.061 0.000 0.810 47 E CB -0.145 29.572 29.700 0.028 0.000 0.742 47 E HN 0.459 nan 8.360 nan 0.000 0.466 48 R N -0.768 119.717 120.500 -0.025 0.000 2.093 48 R HA 0.046 4.386 4.340 0.001 0.000 0.224 48 R C 2.036 178.320 176.300 -0.027 0.000 1.101 48 R CA 1.054 57.145 56.100 -0.015 0.000 0.979 48 R CB -0.128 30.165 30.300 -0.011 0.000 0.877 48 R HN 0.215 nan 8.270 nan 0.000 0.441 49 A N 0.357 123.149 122.820 -0.047 0.000 2.067 49 A HA 0.088 4.408 4.320 0.001 0.000 0.217 49 A C 2.179 179.737 177.584 -0.044 0.000 1.156 49 A CA 1.049 53.058 52.037 -0.048 0.000 0.683 49 A CB -0.326 18.633 19.000 -0.068 0.000 0.808 49 A HN 0.460 nan 8.150 nan 0.000 0.455 50 A N 0.928 123.719 122.820 -0.048 0.000 1.883 50 A HA -0.065 4.255 4.320 0.001 0.000 0.217 50 A C 0.196 177.770 177.584 -0.016 0.000 1.186 50 A CA 1.917 53.931 52.037 -0.038 0.000 0.624 50 A CB -1.625 17.350 19.000 -0.042 0.000 0.822 50 A HN 0.451 nan 8.150 nan 0.000 0.444 51 P HA -0.159 nan 4.420 nan 0.000 0.217 51 P C 1.525 178.825 177.300 -0.000 0.000 1.150 51 P CA 1.302 64.403 63.100 0.002 0.000 0.832 51 P CB -0.005 31.698 31.700 0.005 0.000 0.787 52 E N -0.037 120.158 120.200 -0.007 0.000 2.072 52 E HA -0.119 4.232 4.350 0.001 0.000 0.190 52 E C 1.971 178.565 176.600 -0.010 0.000 0.982 52 E CA 0.984 57.379 56.400 -0.008 0.000 0.803 52 E CB -0.515 29.178 29.700 -0.012 0.000 0.755 52 E HN 0.195 nan 8.360 nan 0.000 0.453 53 I N 0.810 121.370 120.570 -0.016 0.000 2.226 53 I HA -0.247 3.924 4.170 0.001 0.000 0.245 53 I C 2.454 178.567 176.117 -0.006 0.000 1.100 53 I CA 0.960 62.249 61.300 -0.018 0.000 1.374 53 I CB -0.155 37.827 38.000 -0.031 0.000 1.057 53 I HN -0.009 nan 8.210 nan 0.000 0.413 54 S N 0.052 115.753 115.700 0.001 0.000 2.402 54 S HA -0.148 4.322 4.470 0.001 0.000 0.229 54 S C 2.071 176.680 174.600 0.014 0.000 1.021 54 S CA 0.999 59.208 58.200 0.014 0.000 0.974 54 S CB -0.255 62.959 63.200 0.023 0.000 0.800 54 S HN 0.379 nan 8.310 nan 0.000 0.484 55 R N 0.945 121.450 120.500 0.009 0.000 2.093 55 R HA 0.094 4.434 4.340 0.001 0.000 0.224 55 R C 2.357 178.660 176.300 0.005 0.000 1.101 55 R CA 1.012 57.117 56.100 0.009 0.000 0.979 55 R CB -0.338 29.966 30.300 0.007 0.000 0.877 55 R HN 0.383 nan 8.270 nan 0.000 0.441 56 A N 0.085 122.905 122.820 0.000 0.000 1.930 56 A HA -0.123 4.198 4.320 0.001 0.000 0.217 56 A C 2.026 179.608 177.584 -0.003 0.000 1.175 56 A CA 1.942 53.977 52.037 -0.003 0.000 0.627 56 A CB -0.487 18.508 19.000 -0.008 0.000 0.815 56 A HN 0.567 nan 8.150 nan 0.000 0.443 57 T N -5.378 109.175 114.554 -0.001 0.000 3.014 57 T HA 0.406 4.756 4.350 0.001 0.000 0.250 57 T C 1.478 176.183 174.700 0.008 0.000 1.060 57 T CA 1.118 63.218 62.100 -0.000 0.000 1.040 57 T CB 0.197 69.064 68.868 -0.002 0.000 0.971 57 T HN 1.665 nan 8.240 nan 0.000 0.497 58 G N 1.155 109.963 108.800 0.014 0.000 2.168 58 G HA2 -0.236 3.725 3.960 0.001 0.000 0.263 58 G HA3 -0.236 3.725 3.960 0.001 0.000 0.263 58 G C 0.153 175.072 174.900 0.032 0.000 0.977 58 G CA 0.409 45.522 45.100 0.022 0.000 0.659 58 G HN 0.731 nan 8.290 nan 0.000 0.533 59 T N 3.422 117.994 114.554 0.029 0.000 2.756 59 T HA 0.555 4.905 4.350 0.001 0.000 0.290 59 T C -2.285 172.443 174.700 0.046 0.000 0.985 59 T CA -0.946 61.176 62.100 0.035 0.000 0.955 59 T CB 2.556 71.434 68.868 0.018 0.000 0.930 59 T HN 0.133 nan 8.240 nan 0.000 0.451 60 P HA 0.203 nan 4.420 nan 0.000 0.268 60 P C -0.860 176.485 177.300 0.076 0.000 1.204 60 P CA -0.241 62.912 63.100 0.089 0.000 0.768 60 P CB 0.579 32.365 31.700 0.144 0.000 0.842 61 V N 3.459 123.402 119.914 0.049 0.000 2.448 61 V HA 0.367 4.487 4.120 0.001 0.000 0.295 61 V C 0.196 176.297 176.094 0.011 0.000 1.025 61 V CA -0.222 62.093 62.300 0.024 0.000 0.859 61 V CB 1.662 33.484 31.823 -0.003 0.000 0.988 61 V HN 0.515 nan 8.190 nan 0.000 0.431 62 S N 3.121 118.815 115.700 -0.011 0.000 2.566 62 S HA 0.809 5.279 4.470 0.001 0.000 0.298 62 S C -0.610 173.932 174.600 -0.096 0.000 1.083 62 S CA -0.691 57.483 58.200 -0.042 0.000 0.978 62 S CB 2.220 65.388 63.200 -0.053 0.000 1.073 62 S HN 0.455 nan 8.310 nan 0.000 0.491 63 V N 2.847 122.692 119.914 -0.114 0.000 2.540 63 V HA 0.669 4.789 4.120 0.001 0.000 0.302 63 V C -0.365 175.682 176.094 -0.079 0.000 1.035 63 V CA -0.832 61.357 62.300 -0.184 0.000 0.873 63 V CB 1.540 33.086 31.823 -0.461 0.000 0.992 63 V HN 0.712 nan 8.190 nan 0.000 0.428 64 R N 2.734 123.229 120.500 -0.009 0.000 2.795 64 R HA 0.607 4.947 4.340 0.001 0.000 0.275 64 R C -1.369 175.067 176.300 0.227 0.000 0.981 64 R CA -1.064 55.105 56.100 0.115 0.000 0.917 64 R CB 2.147 32.455 30.300 0.013 0.000 1.202 64 R HN 0.419 nan 8.270 nan 0.000 0.469 65 L N 1.721 123.073 121.223 0.216 0.000 2.395 65 L HA 0.237 4.578 4.340 0.001 0.000 0.269 65 L C 0.774 177.660 176.870 0.028 0.000 1.133 65 L CA 0.072 54.974 54.840 0.103 0.000 0.812 65 L CB 0.536 42.575 42.059 -0.033 0.000 1.125 65 L HN 0.509 nan 8.230 nan 0.000 0.452 66 Q N 1.860 121.646 119.800 -0.023 0.000 2.274 66 Q HA 0.040 4.381 4.340 0.001 0.000 0.280 66 Q C -0.554 175.433 176.000 -0.021 0.000 1.047 66 Q CA -0.018 55.784 55.803 -0.002 0.000 0.907 66 Q CB 0.632 29.386 28.738 0.028 0.000 1.171 66 Q HN 0.514 nan 8.270 nan 0.000 0.381 67 E N 2.469 122.687 120.200 0.031 0.000 2.242 67 E HA 0.183 4.534 4.350 0.001 0.000 0.275 67 E C -1.152 175.476 176.600 0.046 0.000 1.002 67 E CA -0.694 55.725 56.400 0.031 0.000 0.841 67 E CB 0.922 30.661 29.700 0.065 0.000 1.109 67 E HN 0.512 nan 8.360 nan 0.000 0.394 68 R N 4.328 124.848 120.500 0.033 0.000 2.429 68 R HA 0.193 4.533 4.340 0.001 0.000 0.302 68 R C -0.225 176.101 176.300 0.043 0.000 1.268 68 R CA 0.399 56.523 56.100 0.040 0.000 1.090 68 R CB -0.532 29.786 30.300 0.029 0.000 1.102 68 R HN 0.712 nan 8.270 nan 0.000 0.522 69 L N 1.985 123.240 121.223 0.053 0.000 2.515 69 L HA 0.406 4.746 4.340 0.001 0.000 0.223 69 L C 1.260 178.145 176.870 0.025 0.000 1.079 69 L CA 0.245 55.119 54.840 0.057 0.000 0.857 69 L CB 0.397 42.521 42.059 0.108 0.000 1.050 69 L HN 0.709 nan 8.230 nan 0.000 0.476 70 G N -0.704 108.106 108.800 0.016 0.000 2.938 70 G HA2 0.417 4.377 3.960 0.001 0.000 0.258 70 G HA3 0.417 4.377 3.960 0.001 0.000 0.258 70 G C 0.337 175.233 174.900 -0.006 0.000 1.356 70 G CA 0.551 45.649 45.100 -0.003 0.000 1.052 70 G HN 0.048 nan 8.290 nan 0.000 0.550 71 T N -2.267 112.278 114.554 -0.015 0.000 3.144 71 T HA 0.427 4.777 4.350 0.001 0.000 0.290 71 T C 0.216 174.905 174.700 -0.018 0.000 0.966 71 T CA -0.184 61.908 62.100 -0.014 0.000 0.907 71 T CB 0.049 68.908 68.868 -0.015 0.000 1.152 71 T HN 0.142 nan 8.240 nan 0.000 0.532 72 L N 1.120 122.328 121.223 -0.024 0.000 2.585 72 L HA 0.586 4.926 4.340 0.001 0.000 0.260 72 L C 0.759 177.607 176.870 -0.036 0.000 1.085 72 L CA -1.519 53.305 54.840 -0.028 0.000 0.913 72 L CB 0.391 42.431 42.059 -0.031 0.000 1.638 72 L HN 0.155 nan 8.230 nan 0.000 0.531 73 R N 2.028 122.501 120.500 -0.045 0.000 2.537 73 R HA 0.043 4.383 4.340 0.001 0.000 0.281 73 R C -2.146 174.095 176.300 -0.098 0.000 0.988 73 R CA -0.977 55.081 56.100 -0.069 0.000 1.077 73 R CB 0.192 30.446 30.300 -0.076 0.000 0.932 73 R HN 0.240 nan 8.270 nan 0.000 0.409 74 P HA 0.106 nan 4.420 nan 0.000 0.268 74 P C -0.620 176.564 177.300 -0.193 0.000 1.485 74 P CA 0.096 63.148 63.100 -0.081 0.000 1.102 74 P CB 1.009 32.719 31.700 0.017 0.000 1.501 75 G N 2.533 111.196 108.800 -0.229 0.000 3.291 75 G HA2 0.166 4.126 3.960 0.001 0.000 0.173 75 G HA3 0.166 4.126 3.960 0.001 0.000 0.173 75 G C 0.735 175.425 174.900 -0.349 0.000 1.099 75 G CA -0.314 44.557 45.100 -0.382 0.000 0.794 75 G HN 0.215 nan 8.290 nan 0.000 0.651 76 K N -0.263 119.821 120.400 -0.528 0.000 2.097 76 K HA -0.040 4.281 4.320 0.001 0.000 0.206 76 K C 2.392 178.867 176.600 -0.209 0.000 1.049 76 K CA 1.635 57.694 56.287 -0.381 0.000 0.933 76 K CB -0.782 31.431 32.500 -0.479 0.000 0.717 76 K HN 0.393 nan 8.250 nan 0.000 0.442 77 G N 1.290 109.965 108.800 -0.208 0.000 2.476 77 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 77 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 77 G C 1.103 175.972 174.900 -0.052 0.000 1.164 77 G CA 1.263 46.273 45.100 -0.149 0.000 0.768 77 G HN 0.330 nan 8.290 nan 0.000 0.560 78 D N 0.477 120.853 120.400 -0.040 0.000 2.117 78 D HA -0.055 4.585 4.640 0.001 0.000 0.197 78 D C 2.665 179.001 176.300 0.059 0.000 0.987 78 D CA 1.245 55.261 54.000 0.026 0.000 0.829 78 D CB -0.759 40.058 40.800 0.029 0.000 0.961 78 D HN 0.295 nan 8.370 nan 0.000 0.460 79 G N 0.471 109.286 108.800 0.026 0.000 2.459 79 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 79 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 79 G C 1.679 176.665 174.900 0.143 0.000 1.183 79 G CA 0.724 45.860 45.100 0.059 0.000 0.776 79 G HN 0.216 nan 8.290 nan 0.000 0.552 80 M N 0.246 119.919 119.600 0.122 0.000 2.132 80 M HA -0.026 4.454 4.480 0.001 0.000 0.263 80 M C 2.390 178.894 176.300 0.340 0.000 1.065 80 M CA 1.309 56.737 55.300 0.213 0.000 1.122 80 M CB -0.408 32.156 32.600 -0.060 0.000 1.365 80 M HN 0.269 nan 8.290 nan 0.000 0.411 81 N N -0.594 118.273 118.700 0.277 0.000 2.244 81 N HA -0.107 4.633 4.740 0.001 0.000 0.183 81 N C 1.451 177.158 175.510 0.327 0.000 1.016 81 N CA 1.450 54.718 53.050 0.363 0.000 0.866 81 N CB -0.042 38.633 38.487 0.314 0.000 0.980 81 N HN 0.273 nan 8.380 nan 0.000 0.430 82 T N 0.391 115.090 114.554 0.242 0.000 2.746 82 T HA -0.098 4.252 4.350 0.001 0.000 0.267 82 T C 2.062 176.880 174.700 0.195 0.000 1.039 82 T CA 1.204 63.420 62.100 0.193 0.000 1.142 82 T CB -0.278 68.675 68.868 0.142 0.000 0.866 82 T HN 0.328 nan 8.240 nan 0.000 0.444 83 A N 1.188 124.150 122.820 0.237 0.000 1.933 83 A HA 0.006 4.326 4.320 0.001 0.000 0.218 83 A C 2.160 179.897 177.584 0.255 0.000 1.175 83 A CA 1.079 53.252 52.037 0.226 0.000 0.628 83 A CB -0.739 18.399 19.000 0.231 0.000 0.814 83 A HN 0.329 nan 8.150 nan 0.000 0.444 84 L N -0.225 121.171 121.223 0.288 0.000 2.042 84 L HA -0.141 4.199 4.340 0.001 0.000 0.210 84 L C 2.543 179.363 176.870 -0.084 0.000 1.076 84 L CA 2.160 57.123 54.840 0.206 0.000 0.749 84 L CB -0.922 41.291 42.059 0.256 0.000 0.893 84 L HN 0.506 nan 8.230 nan 0.000 0.432 85 R N -1.831 118.502 120.500 -0.279 0.000 2.081 85 R HA -0.243 4.098 4.340 0.001 0.000 0.235 85 R C 2.456 178.689 176.300 -0.113 0.000 1.131 85 R CA 1.606 57.425 56.100 -0.467 0.000 0.960 85 R CB -0.496 29.657 30.300 -0.245 0.000 0.856 85 R HN 0.348 nan 8.270 nan 0.000 0.436 86 Y N 0.342 120.619 120.300 -0.038 0.000 2.128 86 Y HA -0.299 4.251 4.550 0.001 0.000 0.284 86 Y C 1.965 177.905 175.900 0.067 0.000 1.154 86 Y CA 2.043 60.158 58.100 0.025 0.000 1.149 86 Y CB -0.575 37.927 38.460 0.070 0.000 0.976 86 Y HN 0.138 nan 8.280 nan 0.000 0.505 87 F N 0.451 120.457 119.950 0.095 0.000 2.091 87 F HA -0.280 4.247 4.527 0.001 0.000 0.299 87 F C 1.771 177.505 175.800 -0.109 0.000 1.103 87 F CA 1.972 59.990 58.000 0.030 0.000 1.228 87 F CB -0.722 38.313 39.000 0.060 0.000 0.984 87 F HN 0.097 nan 8.300 nan 0.000 0.477 88 L N -0.687 120.375 121.223 -0.269 0.000 2.209 88 L HA -0.042 4.299 4.340 0.001 0.000 0.207 88 L C 2.123 178.808 176.870 -0.309 0.000 1.094 88 L CA 1.137 55.746 54.840 -0.386 0.000 0.790 88 L CB -0.462 41.439 42.059 -0.264 0.000 0.932 88 L HN 0.106 nan 8.230 nan 0.000 0.447 89 E N -0.442 119.598 120.200 -0.266 0.000 2.364 89 E HA -0.022 4.328 4.350 0.001 0.000 0.196 89 E C 1.053 177.492 176.600 -0.268 0.000 0.990 89 E CA 0.322 56.592 56.400 -0.217 0.000 0.886 89 E CB 0.455 30.069 29.700 -0.144 0.000 0.866 89 E HN 0.463 nan 8.360 nan 0.000 0.493 90 E N 0.506 120.466 120.200 -0.400 0.000 2.562 90 E HA 0.046 4.397 4.350 0.001 0.000 0.214 90 E C 0.357 176.644 176.600 -0.523 0.000 0.979 90 E CA 0.182 56.287 56.400 -0.491 0.000 1.002 90 E CB 1.264 30.514 29.700 -0.749 0.000 1.048 90 E HN 0.071 nan 8.360 nan 0.000 0.488 91 T N -2.443 111.808 114.554 -0.506 0.000 2.838 91 T HA 0.360 4.710 4.350 0.001 0.000 0.292 91 T C -0.039 174.292 174.700 -0.616 0.000 1.113 91 T CA -0.687 61.060 62.100 -0.589 0.000 1.008 91 T CB 2.163 70.728 68.868 -0.505 0.000 1.259 91 T HN -0.183 nan 8.240 nan 0.000 0.520 92 Q N -0.518 118.787 119.800 -0.826 0.000 2.135 92 Q HA 0.368 4.708 4.340 0.001 0.000 0.222 92 Q C -1.133 174.650 176.000 -0.361 0.000 0.808 92 Q CA -0.562 54.904 55.803 -0.560 0.000 1.049 92 Q CB 0.296 28.747 28.738 -0.477 0.000 1.168 92 Q HN 0.710 nan 8.270 nan 0.000 0.483 93 W N 0.459 121.772 121.300 0.022 0.000 2.158 93 W HA 0.137 4.798 4.660 0.000 0.000 0.339 93 W C 1.096 177.736 176.519 0.202 0.000 1.294 93 W CA -0.394 57.065 57.345 0.190 0.000 1.231 93 W CB 0.724 30.392 29.460 0.346 0.000 1.143 93 W HN 0.173 nan 8.180 nan 0.000 0.571 94 E N 0.898 121.377 120.200 0.465 0.000 2.299 94 E HA -0.007 4.344 4.350 0.001 0.000 0.193 94 E C 0.241 177.081 176.600 0.401 0.000 0.998 94 E CA 0.725 57.315 56.400 0.317 0.000 0.851 94 E CB 0.206 30.035 29.700 0.214 0.000 0.795 94 E HN 0.372 nan 8.360 nan 0.000 0.492 95 R N 0.267 121.026 120.500 0.432 0.000 2.725 95 R HA 0.564 4.905 4.340 0.001 0.000 0.277 95 R C -1.067 175.196 176.300 -0.062 0.000 0.987 95 R CA -0.572 55.645 56.100 0.195 0.000 0.901 95 R CB 2.436 32.780 30.300 0.073 0.000 1.207 95 R HN -0.056 nan 8.270 nan 0.000 0.463 96 I N 1.725 122.025 120.570 -0.450 0.000 2.498 96 I HA 0.390 4.561 4.170 0.001 0.000 0.290 96 I C -0.784 175.096 176.117 -0.396 0.000 1.032 96 I CA -0.607 60.286 61.300 -0.678 0.000 1.073 96 I CB 1.326 38.473 38.000 -1.423 0.000 1.251 96 I HN 0.653 nan 8.210 nan 0.000 0.426 97 H N 6.689 125.496 119.070 -0.438 0.000 2.479 97 H HA 0.401 4.958 4.556 0.001 0.000 0.335 97 H C -1.441 173.493 175.328 -0.657 0.000 1.142 97 H CA -0.509 55.301 56.048 -0.396 0.000 1.234 97 H CB 1.832 31.458 29.762 -0.227 0.000 1.503 97 H HN 0.386 nan 8.280 nan 0.000 0.510 98 F N 1.587 121.308 119.950 -0.382 0.000 2.495 98 F HA 0.320 4.848 4.527 0.001 0.000 0.327 98 F C -0.750 174.631 175.800 -0.697 0.000 1.103 98 F CA -0.642 57.132 58.000 -0.377 0.000 0.949 98 F CB 1.228 40.137 39.000 -0.151 0.000 1.142 98 F HN 0.410 nan 8.300 nan 0.000 0.457 99 Y N 0.805 121.096 120.300 -0.014 0.000 2.457 99 Y HA 0.295 4.845 4.550 0.001 0.000 0.343 99 Y C -0.433 175.558 175.900 0.151 0.000 0.994 99 Y CA -1.563 56.560 58.100 0.038 0.000 1.031 99 Y CB 1.190 39.536 38.460 -0.189 0.000 1.246 99 Y HN 0.445 nan 8.280 nan 0.000 0.449 100 D N 1.458 122.062 120.400 0.340 0.000 2.488 100 D HA 0.124 4.764 4.640 0.001 0.000 0.238 100 D C 0.885 177.359 176.300 0.290 0.000 1.138 100 D CA 0.459 54.635 54.000 0.294 0.000 0.873 100 D CB 1.543 42.486 40.800 0.238 0.000 1.183 100 D HN 0.800 nan 8.370 nan 0.000 0.458 101 A N 3.025 126.018 122.820 0.288 0.000 2.015 101 A HA -0.180 4.140 4.320 0.001 0.000 0.219 101 A C 1.377 178.980 177.584 0.031 0.000 1.163 101 A CA 1.247 53.383 52.037 0.166 0.000 0.646 101 A CB -0.113 19.010 19.000 0.205 0.000 0.806 101 A HN 0.593 nan 8.150 nan 0.000 0.448 102 D N -0.643 119.811 120.400 0.089 0.000 2.328 102 D HA 0.110 4.750 4.640 0.001 0.000 0.226 102 D C 0.268 176.582 176.300 0.024 0.000 1.066 102 D CA -0.280 53.755 54.000 0.058 0.000 0.861 102 D CB -0.646 40.212 40.800 0.097 0.000 0.912 102 D HN 0.416 nan 8.370 nan 0.000 0.521 103 I N 1.582 122.159 120.570 0.011 0.000 2.533 103 I HA -0.005 4.166 4.170 0.001 0.000 0.284 103 I C 1.379 177.483 176.117 -0.022 0.000 1.109 103 I CA 0.232 61.532 61.300 0.000 0.000 1.412 103 I CB 1.190 39.205 38.000 0.025 0.000 1.396 103 I HN 0.011 nan 8.210 nan 0.000 0.543 104 T N -0.935 113.615 114.554 -0.007 0.000 3.069 104 T HA 0.041 4.392 4.350 0.001 0.000 0.252 104 T C 1.010 175.720 174.700 0.016 0.000 1.053 104 T CA 0.243 62.336 62.100 -0.012 0.000 0.964 104 T CB -0.040 68.807 68.868 -0.035 0.000 1.005 104 T HN 0.626 nan 8.240 nan 0.000 0.532 105 S N 0.132 115.867 115.700 0.058 0.000 2.578 105 S HA 0.363 4.833 4.470 0.001 0.000 0.231 105 S C 0.007 174.591 174.600 -0.028 0.000 0.994 105 S CA -0.832 57.444 58.200 0.127 0.000 0.956 105 S CB -0.622 62.765 63.200 0.313 0.000 0.870 105 S HN 0.367 nan 8.310 nan 0.000 0.494 106 F N 3.409 123.052 119.950 -0.511 0.000 2.607 106 F HA 0.502 5.030 4.527 0.001 0.000 0.374 106 F C 0.762 176.141 175.800 -0.700 0.000 1.104 106 F CA 0.133 57.469 58.000 -1.106 0.000 1.296 106 F CB 0.074 38.600 39.000 -0.791 0.000 1.085 106 F HN 0.279 nan 8.300 nan 0.000 0.584 107 G N 5.748 113.657 108.800 -1.485 0.000 2.690 107 G HA2 0.430 4.390 3.960 0.001 0.000 0.291 107 G HA3 0.430 4.390 3.960 0.001 0.000 0.291 107 G C -2.594 171.815 174.900 -0.818 0.000 1.403 107 G CA -1.050 43.566 45.100 -0.807 0.000 0.864 107 G HN 0.315 nan 8.290 nan 0.000 0.480 108 P HA -0.093 nan 4.420 nan 0.000 0.219 108 P C 0.805 178.136 177.300 0.052 0.000 1.146 108 P CA 1.169 64.198 63.100 -0.120 0.000 0.808 108 P CB 0.413 32.117 31.700 0.006 0.000 0.779 109 D N -1.373 119.081 120.400 0.090 0.000 2.218 109 D HA -0.160 4.480 4.640 0.001 0.000 0.204 109 D C 1.560 178.044 176.300 0.308 0.000 0.976 109 D CA 0.860 54.982 54.000 0.204 0.000 0.853 109 D CB -0.463 40.455 40.800 0.196 0.000 0.939 109 D HN 0.041 nan 8.370 nan 0.000 0.481 110 W N 0.640 121.912 121.300 -0.047 0.000 2.335 110 W HA -0.027 4.634 4.660 0.001 0.000 0.311 110 W C 2.290 178.959 176.519 0.250 0.000 1.213 110 W CA 0.389 57.790 57.345 0.093 0.000 1.274 110 W CB -1.051 28.351 29.460 -0.097 0.000 1.148 110 W HN 0.057 nan 8.180 nan 0.000 0.498 111 I N -0.503 120.218 120.570 0.251 0.000 2.226 111 I HA -0.295 3.876 4.170 0.001 0.000 0.245 111 I C 2.280 178.492 176.117 0.159 0.000 1.100 111 I CA 1.690 63.073 61.300 0.137 0.000 1.374 111 I CB -0.969 36.735 38.000 -0.493 0.000 1.057 111 I HN -0.096 nan 8.210 nan 0.000 0.413 112 T N 0.565 115.224 114.554 0.175 0.000 2.708 112 T HA -0.193 4.158 4.350 0.001 0.000 0.266 112 T C 1.918 176.739 174.700 0.202 0.000 1.037 112 T CA 1.336 63.581 62.100 0.241 0.000 1.146 112 T CB -0.151 68.887 68.868 0.283 0.000 0.865 112 T HN 0.275 nan 8.240 nan 0.000 0.435 113 K N 0.911 121.444 120.400 0.220 0.000 2.063 113 K HA -0.015 4.306 4.320 0.001 0.000 0.208 113 K C 2.592 179.273 176.600 0.134 0.000 1.048 113 K CA 1.277 57.669 56.287 0.174 0.000 0.928 113 K CB -0.242 32.364 32.500 0.177 0.000 0.713 113 K HN 0.286 nan 8.250 nan 0.000 0.442 114 A N 1.373 124.310 122.820 0.194 0.000 1.897 114 A HA -0.137 4.183 4.320 0.001 0.000 0.215 114 A C 1.914 179.540 177.584 0.070 0.000 1.181 114 A CA 1.168 53.266 52.037 0.101 0.000 0.620 114 A CB -0.201 18.916 19.000 0.195 0.000 0.821 114 A HN 0.151 nan 8.150 nan 0.000 0.443 115 E N 0.252 120.533 120.200 0.134 0.000 2.110 115 E HA -0.185 4.165 4.350 0.001 0.000 0.193 115 E C 1.871 178.501 176.600 0.051 0.000 0.988 115 E CA 1.340 57.797 56.400 0.094 0.000 0.804 115 E CB -0.284 29.493 29.700 0.128 0.000 0.745 115 E HN 0.748 nan 8.360 nan 0.000 0.458 116 E N 0.524 120.762 120.200 0.063 0.000 2.107 116 E HA -0.070 4.280 4.350 0.001 0.000 0.191 116 E C 2.067 178.710 176.600 0.072 0.000 0.982 116 E CA 0.709 57.136 56.400 0.045 0.000 0.809 116 E CB -0.034 29.722 29.700 0.092 0.000 0.756 116 E HN 0.154 nan 8.360 nan 0.000 0.459 117 A N 1.664 124.491 122.820 0.011 0.000 1.902 117 A HA -0.111 4.209 4.320 0.001 0.000 0.217 117 A C 2.392 180.076 177.584 0.166 0.000 1.181 117 A CA 1.661 53.660 52.037 -0.063 0.000 0.623 117 A CB -0.529 18.200 19.000 -0.452 0.000 0.818 117 A HN 0.278 nan 8.150 nan 0.000 0.443 118 A N -0.229 122.644 122.820 0.088 0.000 2.015 118 A HA -0.121 4.199 4.320 0.001 0.000 0.219 118 A C 1.598 179.203 177.584 0.035 0.000 1.163 118 A CA 1.644 53.738 52.037 0.095 0.000 0.646 118 A CB -0.478 18.546 19.000 0.040 0.000 0.806 118 A HN 0.444 nan 8.150 nan 0.000 0.448 119 D N -0.826 119.538 120.400 -0.060 0.000 2.263 119 D HA -0.086 4.555 4.640 0.001 0.000 0.208 119 D C 0.667 176.750 176.300 -0.361 0.000 0.971 119 D CA 0.947 54.803 54.000 -0.240 0.000 0.867 119 D CB -0.267 40.291 40.800 -0.402 0.000 0.929 119 D HN 0.522 nan 8.370 nan 0.000 0.492 120 F N -0.547 119.417 119.950 0.024 0.000 2.732 120 F HA 0.300 4.827 4.527 0.001 0.000 0.303 120 F C 1.897 177.619 175.800 -0.130 0.000 1.110 120 F CA 0.191 58.178 58.000 -0.022 0.000 1.355 120 F CB 0.448 39.464 39.000 0.026 0.000 1.081 120 F HN 0.005 nan 8.300 nan 0.000 0.565 121 G N -1.156 107.659 108.800 0.026 0.000 2.179 121 G HA2 -0.293 3.667 3.960 0.001 0.000 0.220 121 G HA3 -0.293 3.667 3.960 0.001 0.000 0.220 121 G C 0.031 174.882 174.900 -0.082 0.000 0.990 121 G CA -0.690 44.377 45.100 -0.055 0.000 0.646 121 G HN 0.261 nan 8.290 nan 0.000 0.517 122 Y N 0.934 121.273 120.300 0.065 0.000 2.620 122 Y HA 0.339 4.889 4.550 0.000 0.000 0.330 122 Y C 1.925 177.850 175.900 0.042 0.000 1.186 122 Y CA 1.078 59.217 58.100 0.065 0.000 1.467 122 Y CB 1.108 39.626 38.460 0.096 0.000 1.262 122 Y HN 0.087 nan 8.280 nan 0.000 0.550 123 G N 3.062 111.960 108.800 0.163 0.000 2.464 123 G HA2 0.011 3.971 3.960 0.001 0.000 0.217 123 G HA3 0.011 3.971 3.960 0.001 0.000 0.217 123 G C -0.307 174.643 174.900 0.085 0.000 1.138 123 G CA 0.329 45.486 45.100 0.095 0.000 0.793 123 G HN 0.440 nan 8.290 nan 0.000 0.539 124 L N 0.503 121.792 121.223 0.110 0.000 2.436 124 L HA 0.657 4.997 4.340 0.001 0.000 0.268 124 L C -1.256 175.661 176.870 0.078 0.000 0.974 124 L CA -0.793 54.084 54.840 0.061 0.000 0.826 124 L CB 2.592 44.668 42.059 0.027 0.000 1.291 124 L HN -0.153 nan 8.230 nan 0.000 0.406 125 V N 5.208 125.142 119.914 0.034 0.000 2.409 125 V HA 0.608 4.729 4.120 0.001 0.000 0.291 125 V C -0.251 175.827 176.094 -0.026 0.000 1.020 125 V CA -0.589 61.720 62.300 0.014 0.000 0.848 125 V CB 1.657 33.473 31.823 -0.012 0.000 0.990 125 V HN 0.694 nan 8.190 nan 0.000 0.430 126 R N 3.606 124.082 120.500 -0.040 0.000 2.387 126 R HA 0.519 4.859 4.340 0.001 0.000 0.314 126 R C -0.678 175.593 176.300 -0.047 0.000 0.958 126 R CA -0.714 55.393 56.100 0.010 0.000 0.846 126 R CB 1.391 31.703 30.300 0.020 0.000 1.147 126 R HN 0.728 nan 8.270 nan 0.000 0.447 127 H N 3.538 122.633 119.070 0.042 0.000 2.620 127 H HA 0.103 4.659 4.556 0.001 0.000 0.313 127 H C -0.547 174.654 175.328 -0.213 0.000 1.075 127 H CA -0.066 55.898 56.048 -0.141 0.000 1.397 127 H CB 0.945 30.608 29.762 -0.166 0.000 1.446 127 H HN 0.576 nan 8.280 nan 0.000 0.493 128 Y N 1.632 121.644 120.300 -0.480 0.000 2.570 128 Y HA 0.634 5.185 4.550 0.001 0.000 0.345 128 Y C -1.874 173.548 175.900 -0.797 0.000 1.014 128 Y CA -1.718 56.139 58.100 -0.406 0.000 1.063 128 Y CB 1.109 39.528 38.460 -0.067 0.000 1.272 128 Y HN 0.273 nan 8.280 nan 0.000 0.477 129 F N 1.743 121.598 119.950 -0.159 0.000 2.599 129 F HA 0.646 5.173 4.527 0.001 0.000 0.311 129 F C -2.466 173.292 175.800 -0.069 0.000 1.076 129 F CA -2.486 55.317 58.000 -0.329 0.000 0.937 129 F CB 2.179 41.103 39.000 -0.126 0.000 1.282 129 F HN 0.349 nan 8.300 nan 0.000 0.460 130 P HA 0.206 nan 4.420 nan 0.000 0.271 130 P C -0.974 176.514 177.300 0.312 0.000 1.216 130 P CA -0.194 63.082 63.100 0.294 0.000 0.776 130 P CB 0.877 32.710 31.700 0.221 0.000 0.881 131 R N 1.313 122.043 120.500 0.383 0.000 2.744 131 R HA 0.614 4.955 4.340 0.001 0.000 0.279 131 R C -0.211 176.334 176.300 0.409 0.000 0.977 131 R CA -1.044 55.272 56.100 0.361 0.000 0.906 131 R CB 2.209 32.727 30.300 0.364 0.000 1.197 131 R HN 0.544 nan 8.270 nan 0.000 0.463 132 A N 0.947 123.962 122.820 0.325 0.000 2.448 132 A HA 0.076 4.396 4.320 0.001 0.000 0.239 132 A C 1.333 179.128 177.584 0.352 0.000 1.080 132 A CA 0.457 52.687 52.037 0.323 0.000 0.779 132 A CB 0.187 19.295 19.000 0.181 0.000 1.026 132 A HN 0.872 nan 8.150 nan 0.000 0.499 133 S N -0.063 115.849 115.700 0.353 0.000 2.447 133 S HA -0.122 4.348 4.470 0.001 0.000 0.233 133 S C 1.134 175.904 174.600 0.283 0.000 1.006 133 S CA 1.545 59.889 58.200 0.241 0.000 0.957 133 S CB -0.671 62.624 63.200 0.160 0.000 0.773 133 S HN 1.225 nan 8.310 nan 0.000 0.507 134 T N -1.484 113.224 114.554 0.257 0.000 3.134 134 T HA 0.325 4.676 4.350 0.001 0.000 0.260 134 T C -0.247 174.615 174.700 0.271 0.000 1.027 134 T CA -0.621 61.658 62.100 0.299 0.000 0.913 134 T CB 0.001 69.040 68.868 0.286 0.000 1.046 134 T HN 0.115 nan 8.240 nan 0.000 0.553 135 D N 1.287 121.832 120.400 0.242 0.000 2.437 135 D HA 0.607 5.247 4.640 0.001 0.000 0.259 135 D C 0.930 177.376 176.300 0.244 0.000 1.118 135 D CA 0.136 54.273 54.000 0.229 0.000 1.017 135 D CB 1.168 42.109 40.800 0.235 0.000 1.120 135 D HN 0.230 nan 8.370 nan 0.000 0.541 136 A N 0.354 123.310 122.820 0.227 0.000 2.872 136 A HA -0.213 4.107 4.320 0.001 0.000 0.273 136 A C 1.406 179.158 177.584 0.280 0.000 1.442 136 A CA 0.821 53.000 52.037 0.238 0.000 0.801 136 A CB -1.718 17.468 19.000 0.309 0.000 1.031 136 A HN 0.428 nan 8.150 nan 0.000 0.582 137 M N -1.211 118.533 119.600 0.239 0.000 2.394 137 M HA 0.037 4.518 4.480 0.001 0.000 0.264 137 M C 1.994 178.565 176.300 0.451 0.000 1.073 137 M CA 1.525 56.974 55.300 0.249 0.000 1.111 137 M CB -0.811 31.827 32.600 0.063 0.000 1.401 137 M HN 0.713 nan 8.290 nan 0.000 0.448 138 I N -0.583 120.174 120.570 0.312 0.000 2.233 138 I HA -0.211 3.959 4.170 0.001 0.000 0.243 138 I C 2.302 178.445 176.117 0.045 0.000 1.093 138 I CA 1.082 62.426 61.300 0.072 0.000 1.380 138 I CB -0.802 37.100 38.000 -0.164 0.000 1.067 138 I HN 0.201 nan 8.210 nan 0.000 0.413 139 T N 0.144 114.696 114.554 -0.003 0.000 2.624 139 T HA -0.259 4.092 4.350 0.001 0.000 0.268 139 T C 1.459 176.061 174.700 -0.162 0.000 1.041 139 T CA 2.154 64.174 62.100 -0.134 0.000 1.159 139 T CB -0.397 68.347 68.868 -0.207 0.000 0.863 139 T HN 0.397 nan 8.240 nan 0.000 0.434 140 W N 0.280 121.571 121.300 -0.016 0.000 2.488 140 W HA 0.138 4.799 4.660 0.000 0.000 0.304 140 W C 2.369 178.905 176.519 0.028 0.000 1.175 140 W CA 0.159 57.469 57.345 -0.058 0.000 1.365 140 W CB -0.120 29.243 29.460 -0.161 0.000 1.131 140 W HN 0.105 nan 8.180 nan 0.000 0.520 141 M N -0.670 119.132 119.600 0.336 0.000 2.506 141 M HA 0.022 4.503 4.480 0.001 0.000 0.260 141 M C 1.341 178.035 176.300 0.657 0.000 1.104 141 M CA 1.041 56.586 55.300 0.409 0.000 1.112 141 M CB -0.713 31.979 32.600 0.153 0.000 1.401 141 M HN 0.054 nan 8.290 nan 0.000 0.473 142 I N -1.230 119.588 120.570 0.413 0.000 3.393 142 I HA 0.009 4.180 4.170 0.001 0.000 0.250 142 I C 1.963 178.173 176.117 0.156 0.000 1.122 142 I CA 1.019 62.559 61.300 0.400 0.000 1.484 142 I CB -1.081 37.009 38.000 0.151 0.000 1.468 142 I HN 0.119 nan 8.210 nan 0.000 0.461 143 T N 1.545 116.061 114.554 -0.063 0.000 2.735 143 T HA -0.013 4.338 4.350 0.001 0.000 0.256 143 T C 2.029 176.443 174.700 -0.476 0.000 1.042 143 T CA 1.072 62.958 62.100 -0.358 0.000 1.147 143 T CB -0.125 68.545 68.868 -0.330 0.000 0.865 143 T HN 0.167 nan 8.240 nan 0.000 0.421 144 R N 0.668 121.023 120.500 -0.242 0.000 2.092 144 R HA -0.027 4.314 4.340 0.001 0.000 0.231 144 R C 2.754 179.040 176.300 -0.024 0.000 1.119 144 R CA 1.433 57.462 56.100 -0.119 0.000 0.970 144 R CB -0.736 29.416 30.300 -0.246 0.000 0.864 144 R HN 0.283 nan 8.270 nan 0.000 0.440 145 T N 0.114 114.675 114.554 0.012 0.000 2.684 145 T HA -0.135 4.216 4.350 0.001 0.000 0.267 145 T C 1.869 176.361 174.700 -0.346 0.000 1.036 145 T CA 1.644 63.728 62.100 -0.027 0.000 1.148 145 T CB -0.475 68.448 68.868 0.091 0.000 0.863 145 T HN 0.551 nan 8.240 nan 0.000 0.436 146 G N 0.580 109.143 108.800 -0.394 0.000 2.421 146 G HA2 -0.135 3.825 3.960 0.001 0.000 0.216 146 G HA3 -0.135 3.825 3.960 0.001 0.000 0.216 146 G C 1.249 176.127 174.900 -0.037 0.000 1.171 146 G CA 0.336 45.194 45.100 -0.404 0.000 0.775 146 G HN 0.385 nan 8.290 nan 0.000 0.543 147 F N 1.930 121.931 119.950 0.085 0.000 2.161 147 F HA 0.016 4.543 4.527 0.001 0.000 0.300 147 F C 2.989 178.878 175.800 0.148 0.000 1.089 147 F CA 0.316 58.478 58.000 0.270 0.000 1.282 147 F CB -0.940 38.166 39.000 0.178 0.000 1.010 147 F HN 0.270 nan 8.300 nan 0.000 0.485 148 A N -0.125 122.804 122.820 0.181 0.000 1.898 148 A HA -0.078 4.242 4.320 0.001 0.000 0.216 148 A C 2.329 179.914 177.584 0.000 0.000 1.181 148 A CA 1.134 53.213 52.037 0.069 0.000 0.620 148 A CB -0.971 18.063 19.000 0.057 0.000 0.819 148 A HN 0.360 nan 8.150 nan 0.000 0.442 149 L N -0.977 120.164 121.223 -0.137 0.000 2.156 149 L HA -0.061 4.279 4.340 0.001 0.000 0.208 149 L C 2.270 179.038 176.870 -0.170 0.000 1.095 149 L CA 0.827 55.543 54.840 -0.207 0.000 0.770 149 L CB -0.258 41.512 42.059 -0.481 0.000 0.914 149 L HN 0.363 nan 8.230 nan 0.000 0.439 150 L N -2.561 118.500 121.223 -0.271 0.000 2.357 150 L HA 0.030 4.371 4.340 0.001 0.000 0.211 150 L C 0.519 176.987 176.870 -0.671 0.000 1.075 150 L CA 0.150 54.620 54.840 -0.617 0.000 0.830 150 L CB 0.168 41.509 42.059 -1.197 0.000 0.996 150 L HN 0.306 nan 8.230 nan 0.000 0.467 151 W N 1.005 122.364 121.300 0.099 0.000 1.683 151 W HA 0.298 4.958 4.660 0.000 0.000 0.295 151 W C -1.940 174.622 176.519 0.071 0.000 0.865 151 W CA -1.371 56.031 57.345 0.095 0.000 2.079 151 W CB 0.003 29.517 29.460 0.091 0.000 2.263 151 W HN -0.039 nan 8.180 nan 0.000 0.427 152 P HA -0.197 nan 4.420 nan 0.000 0.220 152 P C 0.985 178.299 177.300 0.024 0.000 1.148 152 P CA 1.666 64.788 63.100 0.037 0.000 0.803 152 P CB 0.294 31.931 31.700 -0.106 0.000 0.782 153 H N -0.480 118.721 119.070 0.218 0.000 2.539 153 H HA 0.128 4.685 4.556 0.001 0.000 0.269 153 H C 1.069 176.509 175.328 0.188 0.000 0.980 153 H CA 0.702 56.867 56.048 0.196 0.000 1.152 153 H CB 0.025 29.869 29.762 0.137 0.000 1.407 153 H HN 0.258 nan 8.280 nan 0.000 0.564 154 T N -2.255 112.472 114.554 0.288 0.000 2.923 154 T HA 0.160 4.510 4.350 0.001 0.000 0.281 154 T C 1.243 176.082 174.700 0.232 0.000 0.995 154 T CA -0.724 61.482 62.100 0.176 0.000 0.985 154 T CB 2.310 71.216 68.868 0.063 0.000 1.114 154 T HN -0.115 nan 8.240 nan 0.000 0.548 155 E N -0.231 120.032 120.200 0.105 0.000 2.338 155 E HA 0.063 4.413 4.350 0.001 0.000 0.197 155 E C 1.792 178.455 176.600 0.105 0.000 1.007 155 E CA 0.619 57.115 56.400 0.160 0.000 0.849 155 E CB -0.823 28.869 29.700 -0.013 0.000 0.774 155 E HN 0.677 nan 8.360 nan 0.000 0.506 156 L N 0.158 121.309 121.223 -0.119 0.000 1.990 156 L HA -0.267 4.073 4.340 0.001 0.000 0.213 156 L C 2.343 179.116 176.870 -0.162 0.000 1.072 156 L CA 1.848 56.427 54.840 -0.435 0.000 0.755 156 L CB -0.712 40.823 42.059 -0.874 0.000 0.889 156 L HN 0.222 nan 8.230 nan 0.000 0.432 157 S N -2.136 113.583 115.700 0.033 0.000 2.561 157 S HA -0.128 4.342 4.470 0.001 0.000 0.225 157 S C 1.270 175.781 174.600 -0.148 0.000 0.977 157 S CA 0.094 58.312 58.200 0.030 0.000 0.926 157 S CB -0.617 62.543 63.200 -0.067 0.000 0.769 157 S HN 0.495 nan 8.310 nan 0.000 0.533 158 W N 1.081 122.419 121.300 0.064 0.000 3.197 158 W HA 0.478 5.138 4.660 0.001 0.000 0.274 158 W C -0.056 176.526 176.519 0.105 0.000 1.297 158 W CA -1.024 56.382 57.345 0.101 0.000 1.662 158 W CB -0.195 29.350 29.460 0.142 0.000 1.106 158 W HN 0.132 nan 8.180 nan 0.000 0.663 159 I N 1.907 122.567 120.570 0.150 0.000 2.533 159 I HA -0.076 4.094 4.170 0.001 0.000 0.284 159 I C 1.694 177.792 176.117 -0.032 0.000 1.109 159 I CA 0.376 61.682 61.300 0.009 0.000 1.412 159 I CB 0.838 38.787 38.000 -0.085 0.000 1.396 159 I HN -0.049 nan 8.210 nan 0.000 0.543 160 E N 4.168 124.307 120.200 -0.103 0.000 2.047 160 E HA -0.138 4.212 4.350 0.001 0.000 0.191 160 E C 0.326 176.832 176.600 -0.157 0.000 0.987 160 E CA 1.411 57.708 56.400 -0.172 0.000 0.799 160 E CB 0.047 29.516 29.700 -0.385 0.000 0.752 160 E HN 0.606 nan 8.360 nan 0.000 0.449 161 Q N 0.185 119.946 119.800 -0.065 0.000 2.907 161 Q HA 0.147 4.487 4.340 0.001 0.000 0.262 161 Q C -1.993 174.026 176.000 0.031 0.000 0.997 161 Q CA -1.292 54.511 55.803 0.001 0.000 0.797 161 Q CB 1.678 30.501 28.738 0.141 0.000 1.228 161 Q HN 0.016 nan 8.270 nan 0.000 0.466 162 P HA -0.141 nan 4.420 nan 0.000 0.225 162 P C 0.622 177.969 177.300 0.080 0.000 1.148 162 P CA 0.974 64.129 63.100 0.090 0.000 0.779 162 P CB 0.405 32.220 31.700 0.193 0.000 0.780 163 L N -1.382 119.865 121.223 0.039 0.000 2.592 163 L HA 0.251 4.591 4.340 0.001 0.000 0.227 163 L C 1.399 178.320 176.870 0.085 0.000 1.127 163 L CA -0.298 54.566 54.840 0.039 0.000 0.884 163 L CB -0.606 41.444 42.059 -0.016 0.000 1.065 163 L HN -0.082 nan 8.230 nan 0.000 0.457 164 G N -0.190 108.683 108.800 0.122 0.000 2.398 164 G HA2 0.297 4.257 3.960 0.001 0.000 0.246 164 G HA3 0.297 4.257 3.960 0.001 0.000 0.246 164 G C 0.838 175.850 174.900 0.186 0.000 1.289 164 G CA 0.044 45.257 45.100 0.187 0.000 0.869 164 G HN 0.262 nan 8.290 nan 0.000 0.543 165 G N 1.079 110.002 108.800 0.206 0.000 3.284 165 G HA2 0.293 4.253 3.960 0.001 0.000 0.236 165 G HA3 0.293 4.253 3.960 0.001 0.000 0.236 165 G C 0.185 175.207 174.900 0.204 0.000 1.158 165 G CA -0.197 45.008 45.100 0.175 0.000 0.774 165 G HN 0.523 nan 8.290 nan 0.000 0.545 166 E N 0.407 120.774 120.200 0.278 0.000 2.092 166 E HA 0.586 4.936 4.350 0.001 0.000 0.271 166 E C -0.422 176.358 176.600 0.299 0.000 0.919 166 E CA -0.441 56.115 56.400 0.259 0.000 0.760 166 E CB 1.645 31.669 29.700 0.541 0.000 1.106 166 E HN 0.310 nan 8.360 nan 0.000 0.408 167 L N 0.225 121.531 121.223 0.138 0.000 2.838 167 L HA 0.646 4.986 4.340 0.001 0.000 0.266 167 L C -1.742 175.143 176.870 0.025 0.000 1.040 167 L CA -1.107 53.846 54.840 0.187 0.000 0.906 167 L CB 1.045 43.184 42.059 0.133 0.000 1.501 167 L HN 0.417 nan 8.230 nan 0.000 0.407 168 L N 0.880 122.080 121.223 -0.038 0.000 2.386 168 L HA 0.848 5.188 4.340 0.001 0.000 0.271 168 L C -1.378 175.431 176.870 -0.103 0.000 0.993 168 L CA -0.529 54.184 54.840 -0.212 0.000 0.819 168 L CB 1.964 43.781 42.059 -0.403 0.000 1.294 168 L HN 0.808 nan 8.230 nan 0.000 0.414 169 M N 4.119 123.652 119.600 -0.111 0.000 2.393 169 M HA 0.541 5.022 4.480 0.001 0.000 0.316 169 M C -0.491 175.807 176.300 -0.004 0.000 1.087 169 M CA -0.611 54.665 55.300 -0.040 0.000 0.937 169 M CB 2.324 34.908 32.600 -0.026 0.000 1.668 169 M HN 0.542 nan 8.290 nan 0.000 0.438 170 R N 0.741 121.273 120.500 0.053 0.000 2.738 170 R HA 0.129 4.469 4.340 0.001 0.000 0.268 170 R C 1.266 177.683 176.300 0.196 0.000 1.062 170 R CA -0.076 56.092 56.100 0.114 0.000 1.158 170 R CB 0.599 30.951 30.300 0.087 0.000 1.046 170 R HN 0.666 nan 8.270 nan 0.000 0.493 171 R N 1.689 122.346 120.500 0.263 0.000 2.091 171 R HA -0.220 4.120 4.340 0.001 0.000 0.238 171 R C 1.027 177.417 176.300 0.150 0.000 1.136 171 R CA 2.114 58.382 56.100 0.281 0.000 0.959 171 R CB 0.059 30.413 30.300 0.091 0.000 0.856 171 R HN 0.617 nan 8.270 nan 0.000 0.437 172 E N -0.234 120.023 120.200 0.094 0.000 2.150 172 E HA -0.112 4.238 4.350 0.001 0.000 0.193 172 E C 1.907 178.548 176.600 0.067 0.000 0.985 172 E CA 1.259 57.695 56.400 0.060 0.000 0.814 172 E CB 0.077 29.800 29.700 0.039 0.000 0.752 172 E HN 0.148 nan 8.360 nan 0.000 0.466 173 V N 0.913 120.872 119.914 0.076 0.000 2.323 173 V HA -0.201 3.919 4.120 0.001 0.000 0.244 173 V C 2.242 178.375 176.094 0.065 0.000 1.041 173 V CA 1.652 63.984 62.300 0.053 0.000 1.025 173 V CB -0.772 31.071 31.823 0.034 0.000 0.656 173 V HN 0.353 nan 8.190 nan 0.000 0.451 174 A N 0.263 123.158 122.820 0.125 0.000 1.908 174 A HA -0.174 4.146 4.320 0.001 0.000 0.218 174 A C 2.426 180.121 177.584 0.185 0.000 1.181 174 A CA 2.292 54.432 52.037 0.173 0.000 0.627 174 A CB -0.834 18.398 19.000 0.388 0.000 0.818 174 A HN 0.572 nan 8.150 nan 0.000 0.445 175 A N -0.870 122.042 122.820 0.153 0.000 1.902 175 A HA -0.145 4.176 4.320 0.001 0.000 0.217 175 A C 2.230 179.897 177.584 0.138 0.000 1.181 175 A CA 2.010 54.130 52.037 0.138 0.000 0.623 175 A CB -0.531 18.511 19.000 0.070 0.000 0.818 175 A HN 0.548 nan 8.150 nan 0.000 0.443 176 M N -0.166 119.490 119.600 0.095 0.000 2.086 176 M HA -0.101 4.379 4.480 0.001 0.000 0.261 176 M C 1.968 178.320 176.300 0.087 0.000 1.067 176 M CA 1.779 57.122 55.300 0.072 0.000 1.116 176 M CB -0.779 31.848 32.600 0.045 0.000 1.348 176 M HN 0.430 nan 8.290 nan 0.000 0.407 177 L N -1.160 120.121 121.223 0.097 0.000 2.056 177 L HA -0.228 4.112 4.340 0.001 0.000 0.207 177 L C 2.546 179.526 176.870 0.184 0.000 1.078 177 L CA 1.212 56.124 54.840 0.119 0.000 0.749 177 L CB -1.049 41.026 42.059 0.027 0.000 0.901 177 L HN 0.262 nan 8.230 nan 0.000 0.433 178 Y N 1.099 121.454 120.300 0.092 0.000 2.274 178 Y HA -0.234 4.317 4.550 0.001 0.000 0.290 178 Y C 2.353 178.301 175.900 0.080 0.000 1.145 178 Y CA 1.478 59.642 58.100 0.107 0.000 1.203 178 Y CB 0.065 38.592 38.460 0.111 0.000 0.984 178 Y HN 0.112 nan 8.280 nan 0.000 0.533 179 E N 0.299 120.519 120.200 0.033 0.000 2.358 179 E HA -0.067 4.283 4.350 0.001 0.000 0.195 179 E C 0.044 176.613 176.600 -0.052 0.000 1.010 179 E CA 0.417 56.792 56.400 -0.042 0.000 0.856 179 E CB -0.275 29.443 29.700 0.030 0.000 0.795 179 E HN 0.317 nan 8.360 nan 0.000 0.504 180 D N 0.606 120.997 120.400 -0.014 0.000 2.317 180 D HA -0.010 4.631 4.640 0.001 0.000 0.252 180 D C 0.415 176.703 176.300 -0.019 0.000 1.174 180 D CA 0.117 54.120 54.000 0.004 0.000 0.866 180 D CB 0.796 41.626 40.800 0.049 0.000 1.127 180 D HN 0.102 nan 8.370 nan 0.000 0.467 181 E N 2.740 122.925 120.200 -0.025 0.000 2.153 181 E HA -0.205 4.146 4.350 0.001 0.000 0.194 181 E C 1.654 178.242 176.600 -0.020 0.000 0.988 181 E CA 0.954 57.333 56.400 -0.034 0.000 0.811 181 E CB 0.281 29.965 29.700 -0.027 0.000 0.746 181 E HN 0.426 nan 8.360 nan 0.000 0.466 182 R N 0.279 120.777 120.500 -0.003 0.000 2.115 182 R HA -0.079 4.261 4.340 0.001 0.000 0.230 182 R C 2.324 178.623 176.300 -0.002 0.000 1.111 182 R CA 0.766 56.862 56.100 -0.007 0.000 0.976 182 R CB -0.440 29.858 30.300 -0.003 0.000 0.870 182 R HN 0.012 nan 8.270 nan 0.000 0.445 183 V N 0.621 120.553 119.914 0.029 0.000 2.323 183 V HA -0.141 3.980 4.120 0.001 0.000 0.244 183 V C 2.298 178.411 176.094 0.032 0.000 1.041 183 V CA 1.659 63.995 62.300 0.060 0.000 1.025 183 V CB -0.421 31.503 31.823 0.169 0.000 0.656 183 V HN 0.136 nan 8.190 nan 0.000 0.451 184 R N 1.246 121.750 120.500 0.007 0.000 2.105 184 R HA -0.185 4.155 4.340 0.001 0.000 0.239 184 R C 2.409 178.698 176.300 -0.019 0.000 1.135 184 R CA 1.906 57.992 56.100 -0.023 0.000 0.967 184 R CB -0.513 29.721 30.300 -0.110 0.000 0.861 184 R HN 0.664 nan 8.270 nan 0.000 0.442 185 R N -0.882 119.602 120.500 -0.026 0.000 2.236 185 R HA 0.033 4.373 4.340 0.001 0.000 0.208 185 R C 0.493 176.774 176.300 -0.033 0.000 1.036 185 R CA 0.620 56.704 56.100 -0.027 0.000 1.001 185 R CB -0.096 30.187 30.300 -0.027 0.000 0.896 185 R HN -0.138 nan 8.270 nan 0.000 0.464 186 R N 1.975 122.449 120.500 -0.043 0.000 3.710 186 R HA 0.058 4.398 4.340 0.001 0.000 0.201 186 R C 0.539 176.791 176.300 -0.080 0.000 1.641 186 R CA 0.178 56.239 56.100 -0.064 0.000 1.390 186 R CB 0.201 30.450 30.300 -0.086 0.000 1.341 186 R HN 0.452 nan 8.270 nan 0.000 0.728 187 S N -0.814 114.847 115.700 -0.066 0.000 2.522 187 S HA -0.066 4.404 4.470 0.001 0.000 0.227 187 S C 0.711 175.234 174.600 -0.128 0.000 0.986 187 S CA 0.237 58.392 58.200 -0.074 0.000 0.929 187 S CB -0.227 62.945 63.200 -0.046 0.000 0.769 187 S HN 0.556 nan 8.310 nan 0.000 0.529 188 D N 0.032 120.356 120.400 -0.126 0.000 2.481 188 D HA 0.149 4.789 4.640 0.001 0.000 0.283 188 D C 0.619 176.818 176.300 -0.168 0.000 1.192 188 D CA -1.037 52.860 54.000 -0.172 0.000 1.100 188 D CB -0.666 40.085 40.800 -0.081 0.000 1.166 188 D HN 0.277 nan 8.370 nan 0.000 0.584 189 W N -0.529 120.726 121.300 -0.074 0.000 2.611 189 W HA 0.194 4.854 4.660 0.001 0.000 0.251 189 W C 2.207 178.664 176.519 -0.103 0.000 1.265 189 W CA 0.318 57.615 57.345 -0.081 0.000 1.295 189 W CB 0.059 29.477 29.460 -0.069 0.000 1.129 189 W HN 0.555 nan 8.180 nan 0.000 0.630 190 G N 0.195 109.052 108.800 0.096 0.000 2.679 190 G HA2 -0.230 3.731 3.960 0.001 0.000 0.212 190 G HA3 -0.230 3.731 3.960 0.001 0.000 0.212 190 G C 1.285 176.141 174.900 -0.073 0.000 1.137 190 G CA 0.452 45.555 45.100 0.004 0.000 0.787 190 G HN 0.207 nan 8.290 nan 0.000 0.534 191 I N 1.318 121.807 120.570 -0.136 0.000 2.208 191 I HA -0.169 4.002 4.170 0.001 0.000 0.245 191 I C 2.007 177.856 176.117 -0.445 0.000 1.097 191 I CA 1.513 62.602 61.300 -0.352 0.000 1.363 191 I CB -0.097 37.639 38.000 -0.441 0.000 1.051 191 I HN 0.125 nan 8.210 nan 0.000 0.413 192 D N -0.585 119.683 120.400 -0.221 0.000 2.144 192 D HA -0.155 4.486 4.640 0.001 0.000 0.200 192 D C 2.059 178.366 176.300 0.011 0.000 0.978 192 D CA 1.882 55.821 54.000 -0.101 0.000 0.833 192 D CB -0.310 40.500 40.800 0.017 0.000 0.961 192 D HN 0.369 nan 8.370 nan 0.000 0.470 193 T N 1.889 116.454 114.554 0.018 0.000 2.720 193 T HA -0.115 4.235 4.350 0.001 0.000 0.268 193 T C 1.985 176.780 174.700 0.158 0.000 1.037 193 T CA 0.461 62.625 62.100 0.107 0.000 1.144 193 T CB -0.067 68.814 68.868 0.022 0.000 0.864 193 T HN 0.069 nan 8.240 nan 0.000 0.444 194 L N -0.200 121.047 121.223 0.040 0.000 2.072 194 L HA -0.024 4.316 4.340 0.001 0.000 0.205 194 L C 2.406 179.398 176.870 0.204 0.000 1.079 194 L CA 1.772 56.659 54.840 0.078 0.000 0.752 194 L CB -1.111 40.935 42.059 -0.022 0.000 0.906 194 L HN 0.304 nan 8.230 nan 0.000 0.436 195 Y N 0.554 120.890 120.300 0.060 0.000 2.181 195 Y HA -0.182 4.368 4.550 0.001 0.000 0.288 195 Y C 2.858 178.780 175.900 0.036 0.000 1.146 195 Y CA 1.165 59.286 58.100 0.035 0.000 1.164 195 Y CB -1.447 37.009 38.460 -0.006 0.000 0.982 195 Y HN 0.188 nan 8.280 nan 0.000 0.515 196 T N 0.308 114.998 114.554 0.226 0.000 2.708 196 T HA -0.204 4.146 4.350 0.001 0.000 0.266 196 T C 1.765 176.479 174.700 0.024 0.000 1.037 196 T CA 1.489 63.659 62.100 0.117 0.000 1.146 196 T CB -0.736 68.235 68.868 0.172 0.000 0.865 196 T HN 0.290 nan 8.240 nan 0.000 0.435 197 F N 1.503 121.423 119.950 -0.050 0.000 2.113 197 F HA -0.077 4.450 4.527 0.001 0.000 0.297 197 F C 2.216 177.908 175.800 -0.181 0.000 1.103 197 F CA 0.861 58.739 58.000 -0.203 0.000 1.248 197 F CB -0.383 38.543 39.000 -0.124 0.000 0.999 197 F HN -0.106 nan 8.300 nan 0.000 0.475 198 V N 0.337 120.332 119.914 0.136 0.000 2.453 198 V HA -0.273 3.847 4.120 0.001 0.000 0.247 198 V C 2.535 178.590 176.094 -0.066 0.000 1.048 198 V CA 2.166 64.503 62.300 0.062 0.000 1.049 198 V CB -1.294 30.622 31.823 0.155 0.000 0.672 198 V HN 0.607 nan 8.190 nan 0.000 0.457 199 T N -1.618 112.905 114.554 -0.050 0.000 2.746 199 T HA -0.171 4.179 4.350 0.001 0.000 0.267 199 T C 1.836 176.443 174.700 -0.155 0.000 1.039 199 T CA 1.703 63.757 62.100 -0.077 0.000 1.142 199 T CB -0.645 68.194 68.868 -0.048 0.000 0.866 199 T HN 0.246 nan 8.240 nan 0.000 0.444 200 V N 1.935 121.696 119.914 -0.254 0.000 2.358 200 V HA -0.168 3.952 4.120 0.001 0.000 0.246 200 V C 2.940 178.814 176.094 -0.367 0.000 1.047 200 V CA 2.025 64.128 62.300 -0.328 0.000 1.035 200 V CB -0.897 30.657 31.823 -0.449 0.000 0.658 200 V HN 0.548 nan 8.190 nan 0.000 0.452 201 Q N -0.548 118.953 119.800 -0.498 0.000 2.170 201 Q HA -0.224 4.116 4.340 0.001 0.000 0.203 201 Q C 2.103 177.966 176.000 -0.228 0.000 0.976 201 Q CA 1.357 56.889 55.803 -0.452 0.000 0.858 201 Q CB 0.020 28.438 28.738 -0.533 0.000 0.907 201 Q HN 0.588 nan 8.270 nan 0.000 0.433 202 Q N -1.183 118.517 119.800 -0.166 0.000 2.403 202 Q HA 0.075 4.415 4.340 0.001 0.000 0.203 202 Q C 0.712 176.663 176.000 -0.082 0.000 0.932 202 Q CA 0.762 56.508 55.803 -0.094 0.000 0.945 202 Q CB 0.996 29.700 28.738 -0.057 0.000 1.045 202 Q HN 0.602 nan 8.270 nan 0.000 0.511 203 G N 1.080 109.817 108.800 -0.106 0.000 2.176 203 G HA2 -0.256 3.705 3.960 0.001 0.000 0.252 203 G HA3 -0.256 3.705 3.960 0.001 0.000 0.252 203 G C 0.253 175.123 174.900 -0.050 0.000 1.024 203 G CA 0.222 45.275 45.100 -0.077 0.000 0.755 203 G HN 0.227 nan 8.290 nan 0.000 0.507 204 V N 1.599 121.483 119.914 -0.050 0.000 2.599 204 V HA 0.356 4.477 4.120 0.001 0.000 0.300 204 V C 1.426 177.524 176.094 0.006 0.000 1.034 204 V CA 0.514 62.803 62.300 -0.018 0.000 1.115 204 V CB 1.143 32.955 31.823 -0.018 0.000 0.934 204 V HN 1.057 nan 8.190 nan 0.000 0.485 205 S N 6.291 122.019 115.700 0.046 0.000 2.510 205 S HA 0.579 5.050 4.470 0.001 0.000 0.279 205 S C -0.612 174.134 174.600 0.244 0.000 1.284 205 S CA -0.542 57.733 58.200 0.126 0.000 1.059 205 S CB 0.286 63.526 63.200 0.066 0.000 0.901 205 S HN 0.480 nan 8.310 nan 0.000 0.491 206 I N 3.290 124.020 120.570 0.267 0.000 2.436 206 I HA 0.352 4.523 4.170 0.001 0.000 0.289 206 I C -1.054 175.180 176.117 0.195 0.000 1.010 206 I CA -0.870 60.533 61.300 0.172 0.000 1.098 206 I CB 1.632 39.602 38.000 -0.050 0.000 1.266 206 I HN 0.754 nan 8.210 nan 0.000 0.434 207 Y N 5.744 125.953 120.300 -0.153 0.000 2.352 207 Y HA 0.418 4.969 4.550 0.000 0.000 0.339 207 Y C -0.475 175.327 175.900 -0.164 0.000 0.992 207 Y CA -0.514 57.349 58.100 -0.394 0.000 1.100 207 Y CB 1.323 39.236 38.460 -0.911 0.000 1.192 207 Y HN 0.490 nan 8.280 nan 0.000 0.458 208 E N 5.968 125.812 120.200 -0.593 0.000 2.113 208 E HA 0.364 4.714 4.350 0.001 0.000 0.273 208 E C -1.084 175.225 176.600 -0.486 0.000 0.924 208 E CA -0.818 55.369 56.400 -0.355 0.000 0.764 208 E CB 0.736 30.298 29.700 -0.229 0.000 1.104 208 E HN 0.703 nan 8.360 nan 0.000 0.406 209 C N 2.332 121.497 119.300 -0.225 0.000 2.358 209 C HA 0.513 4.974 4.460 0.001 0.000 0.342 209 C C -0.258 174.650 174.990 -0.136 0.000 1.234 209 C CA -1.107 57.845 59.018 -0.111 0.000 1.969 209 C CB -0.484 27.286 27.740 0.051 0.000 2.346 209 C HN 0.751 nan 8.230 nan 0.000 0.525 210 Y N 3.738 123.825 120.300 -0.355 0.000 2.327 210 Y HA 0.653 5.203 4.550 0.001 0.000 0.336 210 Y C -0.126 175.389 175.900 -0.641 0.000 1.035 210 Y CA -1.081 56.571 58.100 -0.746 0.000 1.165 210 Y CB 0.582 38.615 38.460 -0.711 0.000 1.181 210 Y HN 0.658 nan 8.280 nan 0.000 0.494 211 I N 9.705 129.524 120.570 -1.252 0.000 2.359 211 I HA 0.214 4.384 4.170 0.001 0.000 0.284 211 I C -1.846 173.718 176.117 -0.922 0.000 1.018 211 I CA -2.492 58.228 61.300 -0.967 0.000 1.173 211 I CB 1.440 38.709 38.000 -1.217 0.000 1.326 211 I HN 0.565 nan 8.210 nan 0.000 0.462 212 P HA -0.036 nan 4.420 nan 0.000 0.231 212 P C 0.758 178.030 177.300 -0.048 0.000 1.168 212 P CA 1.005 63.947 63.100 -0.263 0.000 0.779 212 P CB 0.535 32.214 31.700 -0.035 0.000 0.844 213 E N -0.053 120.154 120.200 0.011 0.000 2.158 213 E HA 0.233 4.583 4.350 0.001 0.000 0.191 213 E C 1.262 177.978 176.600 0.193 0.000 0.982 213 E CA 0.584 57.077 56.400 0.156 0.000 0.823 213 E CB -0.565 29.276 29.700 0.236 0.000 0.766 213 E HN 0.213 nan 8.360 nan 0.000 0.468 214 G N 1.365 110.285 108.800 0.200 0.000 2.728 214 G HA2 -0.243 3.718 3.960 0.001 0.000 0.294 214 G HA3 -0.243 3.718 3.960 0.001 0.000 0.294 214 G C -0.359 174.610 174.900 0.115 0.000 1.342 214 G CA -0.121 45.114 45.100 0.225 0.000 0.866 214 G HN 0.322 nan 8.290 nan 0.000 0.534 215 K N -1.303 118.988 120.400 -0.182 0.000 1.754 215 K HA 0.878 5.198 4.320 0.001 0.000 0.264 215 K C 0.300 176.719 176.600 -0.303 0.000 0.932 215 K CA -0.192 55.928 56.287 -0.279 0.000 0.833 215 K CB 0.572 32.621 32.500 -0.752 0.000 2.355 215 K HN 1.948 nan 8.250 nan 0.000 0.873 216 A N 1.616 124.289 122.820 -0.246 0.000 2.328 216 A HA 0.361 4.681 4.320 0.001 0.000 0.284 216 A C -0.976 176.503 177.584 -0.176 0.000 1.160 216 A CA -0.553 51.359 52.037 -0.208 0.000 0.818 216 A CB -0.207 18.758 19.000 -0.059 0.000 1.087 216 A HN 0.574 nan 8.150 nan 0.000 0.504 217 H N 2.143 121.247 119.070 0.057 0.000 2.517 217 H HA 0.261 4.818 4.556 0.001 0.000 0.317 217 H C 0.730 176.100 175.328 0.070 0.000 1.080 217 H CA -0.292 55.800 56.048 0.073 0.000 1.301 217 H CB 0.845 30.660 29.762 0.088 0.000 1.425 217 H HN 0.834 nan 8.280 nan 0.000 0.471 218 R N 2.188 122.804 120.500 0.194 0.000 2.827 218 R HA 0.149 4.489 4.340 0.001 0.000 0.269 218 R C -0.246 176.143 176.300 0.148 0.000 1.048 218 R CA -0.673 55.506 56.100 0.131 0.000 1.173 218 R CB 0.404 30.761 30.300 0.095 0.000 1.070 218 R HN 0.367 nan 8.270 nan 0.000 0.498 219 L N 1.682 122.973 121.223 0.112 0.000 2.529 219 L HA -0.070 4.270 4.340 0.001 0.000 0.287 219 L C 0.141 177.110 176.870 0.166 0.000 1.241 219 L CA 0.214 55.130 54.840 0.126 0.000 0.857 219 L CB 0.034 42.144 42.059 0.086 0.000 1.113 219 L HN 0.516 nan 8.230 nan 0.000 0.504 220 Y N 2.818 123.149 120.300 0.052 0.000 2.632 220 Y HA 0.423 4.973 4.550 0.001 0.000 0.329 220 Y C 0.485 176.421 175.900 0.060 0.000 1.174 220 Y CA 0.551 58.681 58.100 0.050 0.000 1.469 220 Y CB 0.256 38.733 38.460 0.029 0.000 1.242 220 Y HN 0.524 nan 8.280 nan 0.000 0.540 221 G N 3.129 111.747 108.800 -0.303 0.000 2.550 221 G HA2 0.459 4.419 3.960 0.001 0.000 0.293 221 G HA3 0.459 4.419 3.960 0.001 0.000 0.293 221 G C -0.532 174.247 174.900 -0.201 0.000 1.402 221 G CA -0.503 44.447 45.100 -0.250 0.000 0.784 221 G HN 0.948 nan 8.290 nan 0.000 0.482 222 G N -1.265 107.486 108.800 -0.081 0.000 2.684 222 G HA2 0.408 4.369 3.960 0.001 0.000 0.255 222 G HA3 0.408 4.369 3.960 0.001 0.000 0.255 222 G C 1.209 176.156 174.900 0.077 0.000 1.219 222 G CA -0.593 44.524 45.100 0.029 0.000 0.901 222 G HN 0.614 nan 8.290 nan 0.000 0.548 223 L N 0.242 121.517 121.223 0.087 0.000 2.265 223 L HA -0.087 4.253 4.340 0.001 0.000 0.215 223 L C 2.557 179.674 176.870 0.412 0.000 1.117 223 L CA 1.384 56.316 54.840 0.154 0.000 0.782 223 L CB -0.352 41.656 42.059 -0.085 0.000 0.914 223 L HN 0.736 nan 8.230 nan 0.000 0.441 224 D N -0.805 119.799 120.400 0.340 0.000 2.309 224 D HA -0.221 4.420 4.640 0.001 0.000 0.212 224 D C 1.299 177.560 176.300 -0.064 0.000 0.968 224 D CA 0.865 54.852 54.000 -0.021 0.000 0.882 224 D CB -0.349 40.320 40.800 -0.218 0.000 0.918 224 D HN 0.234 nan 8.370 nan 0.000 0.503 225 D N -0.097 120.313 120.400 0.016 0.000 2.265 225 D HA -0.088 4.553 4.640 0.001 0.000 0.208 225 D C 1.311 177.605 176.300 -0.010 0.000 0.977 225 D CA 0.463 54.462 54.000 -0.002 0.000 0.871 225 D CB 0.084 40.893 40.800 0.015 0.000 0.925 225 D HN 0.239 nan 8.370 nan 0.000 0.485 226 L N -0.119 121.122 121.223 0.030 0.000 2.667 226 L HA 0.207 4.547 4.340 0.001 0.000 0.232 226 L C 1.928 178.741 176.870 -0.096 0.000 1.138 226 L CA 0.181 54.998 54.840 -0.038 0.000 0.921 226 L CB -0.325 41.764 42.059 0.051 0.000 1.180 226 L HN -0.132 nan 8.230 nan 0.000 0.487 227 R N -0.607 119.840 120.500 -0.088 0.000 2.083 227 R HA -0.154 4.186 4.340 0.001 0.000 0.237 227 R C 1.816 178.043 176.300 -0.121 0.000 1.137 227 R CA 2.136 58.140 56.100 -0.160 0.000 0.951 227 R CB 0.014 30.028 30.300 -0.477 0.000 0.851 227 R HN 0.246 nan 8.270 nan 0.000 0.434 228 T N 1.113 115.621 114.554 -0.076 0.000 2.708 228 T HA -0.186 4.164 4.350 0.001 0.000 0.266 228 T C 1.707 176.432 174.700 0.043 0.000 1.037 228 T CA 1.595 63.710 62.100 0.024 0.000 1.146 228 T CB -0.173 68.763 68.868 0.114 0.000 0.865 228 T HN 0.294 nan 8.240 nan 0.000 0.435 229 M N 0.577 120.105 119.600 -0.120 0.000 2.108 229 M HA -0.093 4.388 4.480 0.001 0.000 0.261 229 M C 2.177 178.321 176.300 -0.261 0.000 1.066 229 M CA 1.481 56.558 55.300 -0.371 0.000 1.107 229 M CB -0.257 31.829 32.600 -0.856 0.000 1.356 229 M HN 0.247 nan 8.290 nan 0.000 0.406 230 L N 0.370 121.400 121.223 -0.321 0.000 1.989 230 L HA -0.155 4.185 4.340 0.001 0.000 0.211 230 L C 2.359 179.099 176.870 -0.217 0.000 1.071 230 L CA 2.211 56.798 54.840 -0.421 0.000 0.749 230 L CB -0.921 40.754 42.059 -0.641 0.000 0.890 230 L HN 0.383 nan 8.230 nan 0.000 0.431 231 V N -3.088 116.773 119.914 -0.089 0.000 2.515 231 V HA -0.188 3.933 4.120 0.001 0.000 0.250 231 V C 2.167 178.324 176.094 0.105 0.000 1.058 231 V CA 1.902 64.229 62.300 0.046 0.000 1.064 231 V CB -1.075 30.852 31.823 0.175 0.000 0.675 231 V HN 0.601 nan 8.190 nan 0.000 0.461 232 E N -0.411 119.834 120.200 0.075 0.000 2.158 232 E HA -0.071 4.279 4.350 0.001 0.000 0.191 232 E C 2.209 178.827 176.600 0.030 0.000 0.982 232 E CA 1.372 57.827 56.400 0.090 0.000 0.823 232 E CB -0.206 29.587 29.700 0.154 0.000 0.766 232 E HN 0.694 nan 8.360 nan 0.000 0.468 233 C N 0.443 119.730 119.300 -0.021 0.000 2.446 233 C HA -0.083 4.378 4.460 0.001 0.000 0.277 233 C C 2.369 177.292 174.990 -0.112 0.000 1.275 233 C CA 0.179 59.152 59.018 -0.075 0.000 1.727 233 C CB -0.854 26.812 27.740 -0.124 0.000 2.010 233 C HN 0.427 nan 8.230 nan 0.000 0.486 234 F N 2.400 122.210 119.950 -0.234 0.000 2.102 234 F HA -0.083 4.444 4.527 0.001 0.000 0.298 234 F C 2.374 178.034 175.800 -0.234 0.000 1.105 234 F CA 1.591 59.405 58.000 -0.311 0.000 1.239 234 F CB -0.546 38.138 39.000 -0.527 0.000 0.991 234 F HN 0.153 nan 8.300 nan 0.000 0.474 235 A N 0.360 123.123 122.820 -0.096 0.000 1.940 235 A HA -0.126 4.194 4.320 0.001 0.000 0.219 235 A C 2.405 179.881 177.584 -0.180 0.000 1.176 235 A CA 1.897 53.907 52.037 -0.047 0.000 0.631 235 A CB -1.570 17.512 19.000 0.137 0.000 0.814 235 A HN 0.527 nan 8.150 nan 0.000 0.446 236 A N 0.063 122.781 122.820 -0.169 0.000 1.877 236 A HA -0.066 4.255 4.320 0.001 0.000 0.216 236 A C 2.032 179.479 177.584 -0.229 0.000 1.186 236 A CA 1.595 53.534 52.037 -0.163 0.000 0.620 236 A CB -0.484 18.446 19.000 -0.115 0.000 0.822 236 A HN 0.413 nan 8.150 nan 0.000 0.443 237 I N -0.021 120.365 120.570 -0.308 0.000 2.179 237 I HA -0.274 3.897 4.170 0.001 0.000 0.242 237 I C 2.671 178.589 176.117 -0.331 0.000 1.088 237 I CA 1.986 63.119 61.300 -0.279 0.000 1.357 237 I CB -1.479 36.316 38.000 -0.342 0.000 1.051 237 I HN 0.580 nan 8.210 nan 0.000 0.409 238 Q N 0.966 120.428 119.800 -0.564 0.000 2.135 238 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 238 Q C 2.332 178.173 176.000 -0.265 0.000 0.981 238 Q CA 2.689 58.216 55.803 -0.460 0.000 0.856 238 Q CB 0.034 28.489 28.738 -0.472 0.000 0.902 238 Q HN 0.608 nan 8.270 nan 0.000 0.425 239 S N -0.468 115.106 115.700 -0.211 0.000 2.447 239 S HA -0.072 4.399 4.470 0.001 0.000 0.233 239 S C 1.668 176.184 174.600 -0.141 0.000 1.006 239 S CA 0.732 58.847 58.200 -0.141 0.000 0.957 239 S CB -0.150 62.980 63.200 -0.118 0.000 0.773 239 S HN 0.461 nan 8.310 nan 0.000 0.507 240 L N 1.434 122.549 121.223 -0.180 0.000 2.607 240 L HA 0.164 4.504 4.340 0.001 0.000 0.228 240 L C 2.695 179.616 176.870 0.085 0.000 1.123 240 L CA 0.323 55.046 54.840 -0.195 0.000 0.890 240 L CB -0.337 41.385 42.059 -0.562 0.000 1.103 240 L HN 0.501 nan 8.230 nan 0.000 0.468 241 Q N -0.542 119.215 119.800 -0.072 0.000 2.291 241 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 241 Q C 1.086 176.966 176.000 -0.199 0.000 0.976 241 Q CA 1.353 57.029 55.803 -0.211 0.000 0.875 241 Q CB -0.218 28.241 28.738 -0.465 0.000 0.927 241 Q HN 0.529 nan 8.270 nan 0.000 0.450 242 H N 0.509 119.654 119.070 0.124 0.000 2.551 242 H HA 0.278 4.834 4.556 0.001 0.000 0.271 242 H C -0.060 175.400 175.328 0.220 0.000 0.984 242 H CA -0.026 56.093 56.048 0.120 0.000 1.164 242 H CB 0.324 30.117 29.762 0.051 0.000 1.437 242 H HN 0.321 nan 8.280 nan 0.000 0.550 243 E N 1.380 121.839 120.200 0.433 0.000 2.390 243 E HA 0.144 4.494 4.350 0.001 0.000 0.261 243 E C -0.038 176.871 176.600 0.514 0.000 1.076 243 E CA -0.282 56.370 56.400 0.419 0.000 0.905 243 E CB 2.236 32.188 29.700 0.421 0.000 0.984 243 E HN -0.093 nan 8.360 nan 0.000 0.427 244 V N 2.713 122.815 119.914 0.313 0.000 2.427 244 V HA 0.242 4.363 4.120 0.001 0.000 0.286 244 V C 0.048 176.205 176.094 0.105 0.000 1.034 244 V CA -0.600 61.852 62.300 0.253 0.000 0.893 244 V CB 1.657 33.573 31.823 0.156 0.000 0.982 244 V HN 0.329 nan 8.190 nan 0.000 0.452 245 V N 3.900 123.847 119.914 0.055 0.000 2.588 245 V HA 0.708 4.828 4.120 0.001 0.000 0.304 245 V C 0.715 176.785 176.094 -0.040 0.000 1.042 245 V CA -0.300 61.904 62.300 -0.160 0.000 0.877 245 V CB 1.673 33.184 31.823 -0.520 0.000 0.996 245 V HN 0.941 nan 8.190 nan 0.000 0.425 246 G N 2.987 111.745 108.800 -0.070 0.000 2.535 246 G HA2 0.417 4.378 3.960 0.001 0.000 0.282 246 G HA3 0.417 4.378 3.960 0.001 0.000 0.282 246 G C -0.059 174.830 174.900 -0.018 0.000 1.350 246 G CA -0.472 44.612 45.100 -0.026 0.000 1.039 246 G HN 0.842 nan 8.290 nan 0.000 0.509 247 Q N -0.591 119.207 119.800 -0.003 0.000 2.492 247 Q HA 0.292 4.633 4.340 0.001 0.000 0.238 247 Q C -2.339 173.654 176.000 -0.013 0.000 1.045 247 Q CA -1.097 54.712 55.803 0.011 0.000 0.934 247 Q CB -0.264 28.478 28.738 0.007 0.000 1.276 247 Q HN 0.134 nan 8.270 nan 0.000 0.521 248 P HA 0.005 nan 4.420 nan 0.000 0.265 248 P C -1.099 176.188 177.300 -0.022 0.000 1.187 248 P CA 0.380 63.470 63.100 -0.017 0.000 0.766 248 P CB 0.741 32.430 31.700 -0.019 0.000 0.820 249 A N 3.272 126.078 122.820 -0.024 0.000 3.322 249 A HA 0.536 4.856 4.320 0.001 0.000 0.201 249 A C 0.006 177.604 177.584 0.024 0.000 1.668 249 A CA -0.646 51.384 52.037 -0.011 0.000 0.861 249 A CB -0.087 18.898 19.000 -0.025 0.000 1.769 249 A HN 0.487 nan 8.150 nan 0.000 0.578 250 I N 0.858 121.456 120.570 0.046 0.000 2.471 250 I HA 0.190 4.360 4.170 0.001 0.000 0.286 250 I C 0.109 176.348 176.117 0.203 0.000 1.079 250 I CA 0.693 62.057 61.300 0.106 0.000 1.398 250 I CB 0.246 38.300 38.000 0.089 0.000 1.403 250 I HN 0.631 nan 8.210 nan 0.000 0.530 251 H N 6.490 125.600 119.070 0.067 0.000 3.108 251 H HA 0.479 5.035 4.556 0.001 0.000 0.329 251 H C -1.020 174.327 175.328 0.032 0.000 0.978 251 H CA -1.059 55.013 56.048 0.041 0.000 1.413 251 H CB 0.978 30.725 29.762 -0.026 0.000 1.670 251 H HN 0.546 nan 8.280 nan 0.000 0.512 252 R N 3.403 123.992 120.500 0.149 0.000 2.514 252 R HA 0.268 4.608 4.340 0.001 0.000 0.301 252 R C -1.451 174.682 176.300 -0.278 0.000 0.962 252 R CA -0.513 55.571 56.100 -0.026 0.000 0.882 252 R CB 1.528 31.951 30.300 0.205 0.000 1.143 252 R HN 0.681 nan 8.270 nan 0.000 0.452 253 Q N 3.045 122.646 119.800 -0.333 0.000 2.294 253 Q HA 0.159 4.499 4.340 0.001 0.000 0.264 253 Q C -1.282 174.602 176.000 -0.193 0.000 0.992 253 Q CA -0.598 54.993 55.803 -0.353 0.000 0.747 253 Q CB 1.489 30.006 28.738 -0.368 0.000 1.262 253 Q HN 0.803 nan 8.270 nan 0.000 0.452 254 E N 2.802 122.880 120.200 -0.203 0.000 2.529 254 E HA -0.129 4.221 4.350 0.001 0.000 0.259 254 E C -0.861 175.805 176.600 0.110 0.000 0.966 254 E CA 0.114 56.524 56.400 0.018 0.000 0.937 254 E CB 0.476 30.214 29.700 0.063 0.000 0.923 254 E HN 0.577 nan 8.360 nan 0.000 0.468 255 H N 5.444 124.519 119.070 0.009 0.000 2.929 255 H HA 0.134 4.690 4.556 0.001 0.000 0.317 255 H C -1.976 173.279 175.328 -0.122 0.000 1.031 255 H CA -1.377 54.653 56.048 -0.030 0.000 1.466 255 H CB 0.635 30.368 29.762 -0.047 0.000 1.482 255 H HN 0.362 nan 8.280 nan 0.000 0.561 256 P HA -0.001 nan 4.420 nan 0.000 0.268 256 P C -0.418 176.613 177.300 -0.449 0.000 1.204 256 P CA 0.412 62.971 63.100 -0.903 0.000 0.768 256 P CB 0.674 32.039 31.700 -0.558 0.000 0.842 257 H N 0.707 119.280 119.070 -0.828 0.000 0.000 257 H HA 0.200 4.756 4.556 0.001 0.000 0.000 257 H C 0.938 176.221 175.328 -0.074 0.000 0.000 257 H CA -0.830 55.097 56.048 -0.202 0.000 0.000 257 H CB 0.632 30.405 29.762 0.017 0.000 0.000 257 H HN 0.358 nan 8.280 nan 0.000 0.000 258 R N 1.082 121.677 120.500 0.159 0.000 2.570 258 R HA 0.048 4.388 4.340 0.001 0.000 0.277 258 R C -0.464 175.917 176.300 0.135 0.000 1.039 258 R CA -0.244 55.928 56.100 0.119 0.000 1.065 258 R CB 0.374 30.726 30.300 0.086 0.000 0.964 258 R HN 0.322 nan 8.270 nan 0.000 0.428 259 V N 7.406 127.380 119.914 0.100 0.000 2.599 259 V HA 0.129 4.249 4.120 0.001 0.000 0.300 259 V C -1.953 174.107 176.094 -0.055 0.000 1.034 259 V CA -1.467 60.851 62.300 0.029 0.000 1.115 259 V CB 0.765 32.519 31.823 -0.116 0.000 0.934 259 V HN 0.818 nan 8.190 nan 0.000 0.485 260 P HA 0.105 nan 4.420 nan 0.000 0.268 260 P C 0.869 178.028 177.300 -0.236 0.000 1.205 260 P CA -0.109 62.905 63.100 -0.143 0.000 0.771 260 P CB 0.792 32.339 31.700 -0.254 0.000 0.858 261 V N 2.588 122.437 119.914 -0.109 0.000 2.332 261 V HA -0.275 3.845 4.120 0.001 0.000 0.248 261 V C 2.299 178.339 176.094 -0.089 0.000 1.055 261 V CA 2.222 64.472 62.300 -0.083 0.000 1.038 261 V CB -1.597 30.226 31.823 0.000 0.000 0.651 261 V HN 0.769 nan 8.190 nan 0.000 0.450 262 H N -0.743 118.321 119.070 -0.010 0.000 2.491 262 H HA -0.050 4.506 4.556 0.001 0.000 0.290 262 H C 2.145 177.470 175.328 -0.005 0.000 1.050 262 H CA 1.789 57.837 56.048 -0.000 0.000 1.309 262 H CB -0.234 29.548 29.762 0.033 0.000 1.392 262 H HN 0.427 nan 8.280 nan 0.000 0.554 263 I N 1.190 121.507 120.570 -0.421 0.000 2.400 263 I HA -0.085 4.086 4.170 0.001 0.000 0.248 263 I C 2.947 178.943 176.117 -0.201 0.000 1.109 263 I CA 0.792 61.963 61.300 -0.216 0.000 1.425 263 I CB -0.281 37.595 38.000 -0.207 0.000 1.094 263 I HN 0.294 nan 8.210 nan 0.000 0.425 264 A N 0.357 122.946 122.820 -0.385 0.000 2.019 264 A HA -0.172 4.148 4.320 0.001 0.000 0.219 264 A C 1.908 179.406 177.584 -0.144 0.000 1.164 264 A CA 1.466 53.178 52.037 -0.542 0.000 0.644 264 A CB -0.441 18.186 19.000 -0.622 0.000 0.805 264 A HN 0.477 nan 8.150 nan 0.000 0.449 265 E N -0.932 119.214 120.200 -0.090 0.000 2.465 265 E HA 0.074 4.424 4.350 0.001 0.000 0.195 265 E C 0.567 177.158 176.600 -0.016 0.000 1.028 265 E CA -0.397 55.986 56.400 -0.028 0.000 0.899 265 E CB 0.159 29.847 29.700 -0.021 0.000 1.032 265 E HN 0.514 nan 8.360 nan 0.000 0.468 266 R N 1.339 121.829 120.500 -0.015 0.000 2.410 266 R HA 0.264 4.604 4.340 0.001 0.000 0.288 266 R C -0.740 175.557 176.300 -0.004 0.000 1.051 266 R CA -0.256 55.826 56.100 -0.030 0.000 1.021 266 R CB 0.912 31.166 30.300 -0.076 0.000 1.032 266 R HN -0.154 nan 8.270 nan 0.000 0.481 267 V N 4.258 124.160 119.914 -0.020 0.000 2.370 267 V HA 0.299 4.420 4.120 0.001 0.000 0.283 267 V C 1.047 177.170 176.094 0.048 0.000 1.023 267 V CA -0.193 62.101 62.300 -0.010 0.000 0.857 267 V CB 1.518 33.312 31.823 -0.048 0.000 0.985 267 V HN 1.095 nan 8.190 nan 0.000 0.443 268 G N 4.023 112.876 108.800 0.088 0.000 2.939 268 G HA2 0.171 4.132 3.960 0.001 0.000 0.210 268 G HA3 0.171 4.132 3.960 0.001 0.000 0.210 268 G C 0.138 175.194 174.900 0.259 0.000 1.160 268 G CA 0.514 45.722 45.100 0.179 0.000 0.770 268 G HN 0.796 nan 8.290 nan 0.000 0.543 269 Y N -2.169 118.159 120.300 0.047 0.000 2.638 269 Y HA 0.607 5.158 4.550 0.001 0.000 0.335 269 Y C -1.877 173.932 175.900 -0.150 0.000 1.155 269 Y CA -2.351 55.698 58.100 -0.086 0.000 1.046 269 Y CB 0.871 39.275 38.460 -0.093 0.000 1.303 269 Y HN -0.136 nan 8.280 nan 0.000 0.460 270 D N 1.471 121.663 120.400 -0.347 0.000 2.365 270 D HA 0.234 4.874 4.640 0.001 0.000 0.237 270 D C 0.629 176.874 176.300 -0.093 0.000 1.190 270 D CA 0.007 53.776 54.000 -0.386 0.000 0.867 270 D CB 1.774 42.206 40.800 -0.613 0.000 1.050 270 D HN 0.542 nan 8.370 nan 0.000 0.491 271 V N 4.326 124.141 119.914 -0.166 0.000 2.307 271 V HA -0.173 3.948 4.120 0.001 0.000 0.245 271 V C 2.357 178.459 176.094 0.014 0.000 1.045 271 V CA 1.686 63.933 62.300 -0.088 0.000 1.024 271 V CB -0.486 31.224 31.823 -0.189 0.000 0.651 271 V HN 0.667 nan 8.190 nan 0.000 0.449 272 E N 0.432 120.641 120.200 0.014 0.000 2.058 272 E HA -0.265 4.085 4.350 0.001 0.000 0.194 272 E C 2.225 178.880 176.600 0.092 0.000 0.997 272 E CA 1.609 58.037 56.400 0.048 0.000 0.801 272 E CB -0.225 29.501 29.700 0.044 0.000 0.746 272 E HN 0.547 nan 8.360 nan 0.000 0.450 273 A N 0.140 123.009 122.820 0.082 0.000 1.972 273 A HA -0.146 4.174 4.320 0.001 0.000 0.219 273 A C 2.343 180.001 177.584 0.123 0.000 1.169 273 A CA 1.926 54.032 52.037 0.113 0.000 0.635 273 A CB -0.768 18.261 19.000 0.049 0.000 0.810 273 A HN 0.330 nan 8.150 nan 0.000 0.446 274 T N 0.318 114.937 114.554 0.108 0.000 2.821 274 T HA -0.029 4.322 4.350 0.001 0.000 0.267 274 T C 1.781 176.527 174.700 0.077 0.000 1.046 274 T CA 1.327 63.480 62.100 0.089 0.000 1.139 274 T CB -0.322 68.601 68.868 0.092 0.000 0.871 274 T HN 0.379 nan 8.240 nan 0.000 0.454 275 L N -0.008 121.272 121.223 0.095 0.000 2.027 275 L HA -0.107 4.234 4.340 0.001 0.000 0.206 275 L C 2.543 179.528 176.870 0.193 0.000 1.074 275 L CA 1.570 56.482 54.840 0.120 0.000 0.745 275 L CB -0.638 41.488 42.059 0.112 0.000 0.898 275 L HN 0.445 nan 8.230 nan 0.000 0.433 276 H N 0.045 119.162 119.070 0.078 0.000 2.321 276 H HA -0.230 4.327 4.556 0.001 0.000 0.300 276 H C 2.448 177.838 175.328 0.104 0.000 1.087 276 H CA 1.472 57.569 56.048 0.082 0.000 1.319 276 H CB 0.327 30.127 29.762 0.064 0.000 1.379 276 H HN 0.039 nan 8.280 nan 0.000 0.501 277 R N 0.895 121.454 120.500 0.100 0.000 2.148 277 R HA -0.093 4.247 4.340 0.001 0.000 0.227 277 R C 2.269 178.661 176.300 0.153 0.000 1.103 277 R CA 0.884 57.021 56.100 0.061 0.000 0.983 277 R CB -0.797 29.589 30.300 0.143 0.000 0.874 277 R HN 0.382 nan 8.270 nan 0.000 0.451 278 L N -0.049 121.266 121.223 0.153 0.000 2.191 278 L HA 0.015 4.355 4.340 0.001 0.000 0.212 278 L C 1.540 178.564 176.870 0.257 0.000 1.103 278 L CA 1.754 56.684 54.840 0.149 0.000 0.769 278 L CB -0.184 41.953 42.059 0.128 0.000 0.908 278 L HN 0.289 nan 8.230 nan 0.000 0.438 279 M N -1.416 118.349 119.600 0.275 0.000 2.495 279 M HA 0.089 4.570 4.480 0.001 0.000 0.237 279 M C 0.307 176.816 176.300 0.348 0.000 1.131 279 M CA 0.299 55.819 55.300 0.366 0.000 1.032 279 M CB 0.118 32.881 32.600 0.273 0.000 1.513 279 M HN 0.226 nan 8.290 nan 0.000 0.488 280 Q N -0.719 119.183 119.800 0.170 0.000 2.297 280 Q HA 0.290 4.630 4.340 0.001 0.000 0.269 280 Q C -0.287 175.695 176.000 -0.031 0.000 1.051 280 Q CA -0.821 54.974 55.803 -0.014 0.000 0.869 280 Q CB 1.172 29.774 28.738 -0.226 0.000 1.346 280 Q HN 0.221 nan 8.270 nan 0.000 0.457 281 H N -1.295 117.797 119.070 0.036 0.000 2.862 281 H HA -0.175 4.381 4.556 0.001 0.000 0.290 281 H C -1.215 174.073 175.328 -0.066 0.000 1.211 281 H CA 0.555 56.589 56.048 -0.023 0.000 1.140 281 H CB -1.586 28.130 29.762 -0.077 0.000 1.341 281 H HN 0.541 nan 8.280 nan 0.000 0.392 282 W N 0.845 122.185 121.300 0.067 0.000 2.190 282 W HA 0.349 5.009 4.660 0.000 0.000 0.330 282 W C 0.697 177.230 176.519 0.024 0.000 1.299 282 W CA 0.545 57.913 57.345 0.039 0.000 1.215 282 W CB 0.988 30.457 29.460 0.014 0.000 1.147 282 W HN -0.035 nan 8.180 nan 0.000 0.563 283 T N 3.351 118.077 114.554 0.287 0.000 2.906 283 T HA 0.211 4.561 4.350 0.001 0.000 0.295 283 T C -1.926 172.876 174.700 0.170 0.000 1.075 283 T CA -1.249 60.955 62.100 0.172 0.000 1.005 283 T CB 1.827 70.742 68.868 0.079 0.000 1.136 283 T HN 0.034 nan 8.240 nan 0.000 0.498 284 P HA -0.095 nan 4.420 nan 0.000 0.216 284 P C 1.509 178.833 177.300 0.041 0.000 1.150 284 P CA 0.883 64.017 63.100 0.058 0.000 0.843 284 P CB 0.261 31.978 31.700 0.028 0.000 0.787 285 R N 0.027 120.538 120.500 0.018 0.000 2.096 285 R HA -0.137 4.203 4.340 0.001 0.000 0.235 285 R C 2.305 178.565 176.300 -0.067 0.000 1.127 285 R CA 1.525 57.605 56.100 -0.033 0.000 0.968 285 R CB -0.717 29.549 30.300 -0.056 0.000 0.861 285 R HN 0.168 nan 8.270 nan 0.000 0.440 286 Q N -0.596 119.191 119.800 -0.022 0.000 2.084 286 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 286 Q C 2.069 178.126 176.000 0.095 0.000 0.978 286 Q CA 1.834 57.615 55.803 -0.036 0.000 0.844 286 Q CB 0.043 28.764 28.738 -0.028 0.000 0.898 286 Q HN 0.208 nan 8.270 nan 0.000 0.426 287 V N 1.199 121.230 119.914 0.195 0.000 2.343 287 V HA -0.284 3.836 4.120 0.001 0.000 0.247 287 V C 2.234 178.357 176.094 0.048 0.000 1.051 287 V CA 2.173 64.558 62.300 0.142 0.000 1.036 287 V CB -0.639 31.215 31.823 0.052 0.000 0.654 287 V HN 0.467 nan 8.190 nan 0.000 0.451 288 E N -0.070 120.137 120.200 0.013 0.000 2.072 288 E HA -0.231 4.119 4.350 0.001 0.000 0.191 288 E C 2.160 178.749 176.600 -0.018 0.000 0.985 288 E CA 1.135 57.530 56.400 -0.007 0.000 0.801 288 E CB -0.120 29.569 29.700 -0.018 0.000 0.750 288 E HN 0.382 nan 8.360 nan 0.000 0.452 289 L N 1.110 122.284 121.223 -0.082 0.000 2.191 289 L HA -0.114 4.227 4.340 0.001 0.000 0.212 289 L C 2.298 179.214 176.870 0.076 0.000 1.103 289 L CA 1.244 56.000 54.840 -0.140 0.000 0.769 289 L CB -0.649 41.096 42.059 -0.523 0.000 0.908 289 L HN 0.289 nan 8.230 nan 0.000 0.438 290 L N -0.936 120.342 121.223 0.091 0.000 2.362 290 L HA -0.152 4.189 4.340 0.001 0.000 0.219 290 L C 2.235 179.258 176.870 0.256 0.000 1.134 290 L CA 0.421 55.385 54.840 0.208 0.000 0.807 290 L CB -0.439 41.662 42.059 0.070 0.000 0.927 290 L HN 0.257 nan 8.230 nan 0.000 0.447 291 E N 0.303 120.585 120.200 0.136 0.000 2.267 291 E HA -0.187 4.164 4.350 0.001 0.000 0.197 291 E C 2.153 178.805 176.600 0.087 0.000 0.998 291 E CA 1.023 57.478 56.400 0.091 0.000 0.830 291 E CB -0.121 29.602 29.700 0.038 0.000 0.751 291 E HN 0.560 nan 8.360 nan 0.000 0.491 292 L N -0.392 120.888 121.223 0.095 0.000 2.478 292 L HA -0.004 4.336 4.340 0.001 0.000 0.223 292 L C 0.702 177.470 176.870 -0.170 0.000 1.140 292 L CA 0.192 54.977 54.840 -0.092 0.000 0.842 292 L CB -0.099 41.804 42.059 -0.260 0.000 0.953 292 L HN -0.062 nan 8.230 nan 0.000 0.452 293 F N -0.503 119.493 119.950 0.077 0.000 2.411 293 F HA 0.259 4.787 4.527 0.001 0.000 0.324 293 F C 1.304 177.149 175.800 0.076 0.000 1.086 293 F CA -1.179 56.879 58.000 0.097 0.000 1.028 293 F CB 0.610 39.676 39.000 0.110 0.000 1.284 293 F HN -0.195 nan 8.300 nan 0.000 0.501 294 T N -2.529 112.187 114.554 0.271 0.000 2.903 294 T HA 0.052 4.403 4.350 0.001 0.000 0.314 294 T C 1.060 175.849 174.700 0.147 0.000 1.078 294 T CA -0.297 61.908 62.100 0.175 0.000 1.114 294 T CB 0.678 69.650 68.868 0.173 0.000 0.987 294 T HN 0.630 nan 8.240 nan 0.000 0.548 295 T N 3.222 117.832 114.554 0.094 0.000 2.665 295 T HA -0.047 4.304 4.350 0.001 0.000 0.268 295 T C -0.742 173.972 174.700 0.022 0.000 1.035 295 T CA 1.676 63.807 62.100 0.053 0.000 1.151 295 T CB -1.356 67.535 68.868 0.038 0.000 0.862 295 T HN 0.607 nan 8.240 nan 0.000 0.438 296 P HA 0.015 nan 4.420 nan 0.000 0.217 296 P C 1.614 178.854 177.300 -0.101 0.000 1.150 296 P CA 0.520 63.631 63.100 0.019 0.000 0.832 296 P CB -0.165 31.610 31.700 0.124 0.000 0.787 297 V N 0.021 119.955 119.914 0.032 0.000 2.379 297 V HA -0.187 3.933 4.120 0.001 0.000 0.245 297 V C 2.723 178.710 176.094 -0.178 0.000 1.044 297 V CA 1.719 64.010 62.300 -0.016 0.000 1.036 297 V CB -0.967 31.024 31.823 0.280 0.000 0.664 297 V HN 0.045 nan 8.190 nan 0.000 0.453 298 R N 0.236 120.715 120.500 -0.035 0.000 2.080 298 R HA -0.195 4.145 4.340 0.001 0.000 0.236 298 R C 2.262 178.482 176.300 -0.133 0.000 1.137 298 R CA 1.919 57.998 56.100 -0.034 0.000 0.943 298 R CB -0.212 30.117 30.300 0.048 0.000 0.846 298 R HN 0.426 nan 8.270 nan 0.000 0.431 299 E N -0.423 119.676 120.200 -0.168 0.000 2.150 299 E HA -0.076 4.275 4.350 0.001 0.000 0.193 299 E C 1.879 178.290 176.600 -0.316 0.000 0.985 299 E CA 1.250 57.535 56.400 -0.191 0.000 0.814 299 E CB -0.360 29.258 29.700 -0.137 0.000 0.752 299 E HN 0.617 nan 8.360 nan 0.000 0.466 300 G N 1.366 109.788 108.800 -0.630 0.000 2.414 300 G HA2 -0.194 3.766 3.960 0.001 0.000 0.215 300 G HA3 -0.194 3.766 3.960 0.001 0.000 0.215 300 G C 1.626 176.168 174.900 -0.596 0.000 1.188 300 G CA 0.190 44.649 45.100 -1.068 0.000 0.783 300 G HN 0.178 nan 8.290 nan 0.000 0.537 301 L N -0.003 120.954 121.223 -0.442 0.000 2.093 301 L HA 0.029 4.369 4.340 0.001 0.000 0.208 301 L C 3.133 180.082 176.870 0.131 0.000 1.085 301 L CA 1.023 55.907 54.840 0.074 0.000 0.755 301 L CB -0.351 41.796 42.059 0.147 0.000 0.904 301 L HN 0.239 nan 8.230 nan 0.000 0.435 302 R N -1.062 119.401 120.500 -0.061 0.000 2.120 302 R HA -0.146 4.194 4.340 0.001 0.000 0.234 302 R C 2.026 178.164 176.300 -0.270 0.000 1.123 302 R CA 1.752 57.715 56.100 -0.228 0.000 0.975 302 R CB -0.344 29.842 30.300 -0.190 0.000 0.866 302 R HN 0.334 nan 8.270 nan 0.000 0.446 303 T N 0.045 114.504 114.554 -0.159 0.000 2.881 303 T HA -0.156 4.194 4.350 0.001 0.000 0.270 303 T C 1.771 176.431 174.700 -0.066 0.000 1.068 303 T CA 1.042 63.073 62.100 -0.116 0.000 1.131 303 T CB -0.271 68.551 68.868 -0.077 0.000 0.871 303 T HN 0.391 nan 8.240 nan 0.000 0.479 304 C N 1.756 121.079 119.300 0.038 0.000 2.443 304 C HA -0.028 4.432 4.460 0.001 0.000 0.290 304 C C 2.616 177.675 174.990 0.115 0.000 1.476 304 C CA 0.175 59.310 59.018 0.195 0.000 1.772 304 C CB -1.405 26.598 27.740 0.438 0.000 1.714 304 C HN 0.618 nan 8.230 nan 0.000 0.562 305 Q N 0.005 119.589 119.800 -0.360 0.000 2.224 305 Q HA -0.091 4.249 4.340 0.001 0.000 0.203 305 Q C 2.234 178.111 176.000 -0.206 0.000 0.970 305 Q CA 1.145 56.594 55.803 -0.588 0.000 0.865 305 Q CB 0.009 28.220 28.738 -0.879 0.000 0.922 305 Q HN 0.694 nan 8.270 nan 0.000 0.445 306 R N -0.305 120.119 120.500 -0.127 0.000 2.257 306 R HA 0.158 4.499 4.340 0.001 0.000 0.195 306 R C 0.032 176.328 176.300 -0.006 0.000 0.921 306 R CA 0.325 56.386 56.100 -0.065 0.000 1.069 306 R CB 0.700 30.951 30.300 -0.082 0.000 1.115 306 R HN 0.063 nan 8.270 nan 0.000 0.571 307 R N -0.567 119.944 120.500 0.019 0.000 2.690 307 R HA 0.357 4.697 4.340 0.001 0.000 0.269 307 R C -3.240 173.118 176.300 0.097 0.000 1.037 307 R CA -1.968 54.164 56.100 0.053 0.000 0.877 307 R CB 0.273 30.587 30.300 0.023 0.000 1.255 307 R HN -0.262 nan 8.270 nan 0.000 0.467 308 P HA 0.316 nan 4.420 nan 0.000 0.271 308 P C -1.142 176.259 177.300 0.169 0.000 1.220 308 P CA -0.221 63.005 63.100 0.209 0.000 0.768 308 P CB 1.232 33.085 31.700 0.256 0.000 0.848 309 A N 3.136 126.092 122.820 0.227 0.000 2.422 309 A HA 0.727 5.048 4.320 0.001 0.000 0.302 309 A C -0.459 177.321 177.584 0.325 0.000 1.041 309 A CA -0.492 51.626 52.037 0.136 0.000 0.708 309 A CB 0.486 19.591 19.000 0.176 0.000 1.257 309 A HN 0.575 nan 8.150 nan 0.000 0.414 310 F N -0.057 119.954 119.950 0.102 0.000 3.043 310 F HA 0.246 4.773 4.527 0.000 0.000 0.400 310 F C 0.865 176.470 175.800 -0.324 0.000 1.022 310 F CA -0.265 57.594 58.000 -0.235 0.000 1.005 310 F CB -0.295 38.586 39.000 -0.199 0.000 1.338 310 F HN 0.367 nan 8.300 nan 0.000 0.543 311 N N 2.219 120.714 118.700 -0.343 0.000 2.192 311 N HA -0.187 4.553 4.740 0.001 0.000 0.188 311 N C 1.680 177.163 175.510 -0.044 0.000 1.013 311 N CA 2.127 55.087 53.050 -0.151 0.000 0.863 311 N CB -0.679 37.712 38.487 -0.161 0.000 0.990 311 N HN 0.650 nan 8.380 nan 0.000 0.430 312 F N -0.568 119.385 119.950 0.005 0.000 2.365 312 F HA 0.104 4.631 4.527 0.001 0.000 0.300 312 F C 1.241 177.105 175.800 0.107 0.000 1.090 312 F CA 0.266 58.297 58.000 0.052 0.000 1.408 312 F CB -0.450 38.579 39.000 0.048 0.000 1.060 312 F HN -0.131 nan 8.300 nan 0.000 0.534 313 M N 3.496 122.689 119.600 -0.679 0.000 3.654 313 M HA 0.196 4.676 4.480 0.001 0.000 0.212 313 M C -0.503 175.749 176.300 -0.080 0.000 1.354 313 M CA -1.309 53.753 55.300 -0.397 0.000 1.564 313 M CB -1.498 30.711 32.600 -0.653 0.000 1.056 313 M HN 0.352 nan 8.290 nan 0.000 0.608 314 D N -0.831 119.605 120.400 0.059 0.000 2.447 314 D HA 0.013 4.653 4.640 0.001 0.000 0.265 314 D C 0.780 177.221 176.300 0.236 0.000 1.250 314 D CA -0.201 53.869 54.000 0.118 0.000 1.046 314 D CB 0.323 41.194 40.800 0.119 0.000 1.095 314 D HN 0.502 nan 8.370 nan 0.000 0.555 315 E N -0.822 119.538 120.200 0.267 0.000 2.085 315 E HA -0.215 4.135 4.350 0.001 0.000 0.194 315 E C 2.040 178.918 176.600 0.463 0.000 0.994 315 E CA 1.133 57.758 56.400 0.375 0.000 0.801 315 E CB -0.060 29.799 29.700 0.264 0.000 0.743 315 E HN 0.494 nan 8.360 nan 0.000 0.453 316 M N -0.025 119.776 119.600 0.335 0.000 2.156 316 M HA -0.083 4.397 4.480 0.001 0.000 0.264 316 M C 2.407 178.878 176.300 0.286 0.000 1.067 316 M CA 1.349 56.830 55.300 0.302 0.000 1.131 316 M CB -0.041 32.691 32.600 0.220 0.000 1.368 316 M HN 0.208 nan 8.290 nan 0.000 0.416 317 A N -0.172 122.826 122.820 0.296 0.000 1.933 317 A HA -0.221 4.099 4.320 0.001 0.000 0.218 317 A C 2.029 179.835 177.584 0.370 0.000 1.175 317 A CA 1.120 53.346 52.037 0.314 0.000 0.628 317 A CB -1.221 17.979 19.000 0.333 0.000 0.814 317 A HN 0.822 nan 8.150 nan 0.000 0.444 318 W N 0.599 122.018 121.300 0.198 0.000 2.381 318 W HA -0.137 4.523 4.660 0.000 0.000 0.301 318 W C 2.248 178.863 176.519 0.159 0.000 1.205 318 W CA 1.502 58.963 57.345 0.192 0.000 1.285 318 W CB -0.106 29.477 29.460 0.206 0.000 1.133 318 W HN 0.426 nan 8.180 nan 0.000 0.521 319 A N 0.993 123.843 122.820 0.049 0.000 1.902 319 A HA -0.100 4.220 4.320 0.001 0.000 0.217 319 A C 2.110 179.650 177.584 -0.073 0.000 1.181 319 A CA 2.453 54.344 52.037 -0.244 0.000 0.623 319 A CB -1.304 17.571 19.000 -0.209 0.000 0.818 319 A HN 0.313 nan 8.150 nan 0.000 0.443 320 A N -1.048 121.827 122.820 0.092 0.000 1.902 320 A HA -0.093 4.228 4.320 0.001 0.000 0.217 320 A C 2.306 179.964 177.584 0.124 0.000 1.181 320 A CA 2.308 54.434 52.037 0.148 0.000 0.623 320 A CB -1.284 17.817 19.000 0.169 0.000 0.818 320 A HN 0.421 nan 8.150 nan 0.000 0.443 321 T N -1.757 112.867 114.554 0.116 0.000 2.746 321 T HA -0.167 4.183 4.350 0.001 0.000 0.267 321 T C 1.749 176.404 174.700 -0.075 0.000 1.039 321 T CA 1.642 63.844 62.100 0.169 0.000 1.142 321 T CB -0.423 68.539 68.868 0.157 0.000 0.866 321 T HN 0.544 nan 8.240 nan 0.000 0.444 322 Y N 1.132 121.124 120.300 -0.514 0.000 2.165 322 Y HA -0.251 4.299 4.550 0.001 0.000 0.286 322 Y C 2.717 178.410 175.900 -0.346 0.000 1.155 322 Y CA 1.641 59.384 58.100 -0.596 0.000 1.164 322 Y CB -0.129 37.836 38.460 -0.825 0.000 0.978 322 Y HN 0.350 nan 8.280 nan 0.000 0.513 323 H N -1.628 117.455 119.070 0.021 0.000 2.389 323 H HA -0.124 4.433 4.556 0.001 0.000 0.299 323 H C 2.429 177.714 175.328 -0.071 0.000 1.081 323 H CA 1.629 57.665 56.048 -0.019 0.000 1.345 323 H CB -0.453 29.279 29.762 -0.050 0.000 1.393 323 H HN 0.284 nan 8.280 nan 0.000 0.520 324 V N 1.239 121.160 119.914 0.010 0.000 2.307 324 V HA -0.222 3.898 4.120 0.001 0.000 0.245 324 V C 2.796 178.846 176.094 -0.074 0.000 1.045 324 V CA 1.227 63.462 62.300 -0.109 0.000 1.024 324 V CB -0.636 30.895 31.823 -0.487 0.000 0.651 324 V HN 0.224 nan 8.190 nan 0.000 0.449 325 L N -0.765 120.429 121.223 -0.047 0.000 2.046 325 L HA -0.201 4.139 4.340 0.001 0.000 0.208 325 L C 2.417 179.321 176.870 0.057 0.000 1.077 325 L CA 1.499 56.305 54.840 -0.056 0.000 0.747 325 L CB -0.547 41.249 42.059 -0.437 0.000 0.896 325 L HN 0.288 nan 8.230 nan 0.000 0.432 326 L N -0.469 120.793 121.223 0.065 0.000 2.079 326 L HA -0.253 4.088 4.340 0.001 0.000 0.210 326 L C 2.632 179.449 176.870 -0.087 0.000 1.081 326 L CA 1.475 56.318 54.840 0.005 0.000 0.752 326 L CB -0.394 41.640 42.059 -0.042 0.000 0.896 326 L HN 0.363 nan 8.230 nan 0.000 0.433 327 E N -0.837 119.267 120.200 -0.160 0.000 2.076 327 E HA -0.176 4.174 4.350 0.001 0.000 0.190 327 E C 1.707 178.054 176.600 -0.422 0.000 0.979 327 E CA 1.144 57.341 56.400 -0.338 0.000 0.807 327 E CB 0.160 29.537 29.700 -0.538 0.000 0.761 327 E HN 0.614 nan 8.360 nan 0.000 0.454 328 H N -1.934 117.013 119.070 -0.204 0.000 2.855 328 H HA 0.151 4.708 4.556 0.001 0.000 0.259 328 H C -0.255 174.504 175.328 -0.948 0.000 0.972 328 H CA -0.431 55.397 56.048 -0.368 0.000 1.213 328 H CB 0.382 30.030 29.762 -0.191 0.000 1.451 328 H HN 0.047 nan 8.280 nan 0.000 0.484 329 F N 3.235 122.601 119.950 -0.973 0.000 2.608 329 F HA -0.010 4.517 4.527 0.001 0.000 0.380 329 F C -0.095 175.273 175.800 -0.720 0.000 1.083 329 F CA 0.192 57.501 58.000 -1.152 0.000 1.266 329 F CB 0.479 39.250 39.000 -0.382 0.000 1.076 329 F HN 0.078 nan 8.300 nan 0.000 0.574 330 Q N 8.147 127.065 119.800 -1.471 0.000 2.394 330 Q HA 0.306 4.647 4.340 0.001 0.000 0.259 330 Q C -2.389 173.057 176.000 -0.923 0.000 1.021 330 Q CA -2.188 53.121 55.803 -0.824 0.000 0.805 330 Q CB 1.328 29.823 28.738 -0.406 0.000 1.226 330 Q HN 0.407 nan 8.270 nan 0.000 0.476 331 P HA -0.044 nan 4.420 nan 0.000 0.264 331 P C 0.795 177.994 177.300 -0.168 0.000 1.193 331 P CA 0.985 63.918 63.100 -0.278 0.000 0.763 331 P CB 0.675 32.377 31.700 0.003 0.000 0.810 332 G N 2.247 110.993 108.800 -0.090 0.000 2.241 332 G HA2 -0.244 3.716 3.960 0.001 0.000 0.244 332 G HA3 -0.244 3.716 3.960 0.001 0.000 0.244 332 G C 0.076 174.954 174.900 -0.037 0.000 0.998 332 G CA 0.135 45.208 45.100 -0.045 0.000 0.621 332 G HN 0.654 nan 8.290 nan 0.000 0.519 333 D N 1.260 121.628 120.400 -0.053 0.000 2.317 333 D HA 0.532 5.172 4.640 0.001 0.000 0.252 333 D C -0.275 176.044 176.300 0.032 0.000 1.174 333 D CA -1.581 52.429 54.000 0.018 0.000 0.866 333 D CB 1.291 42.161 40.800 0.117 0.000 1.127 333 D HN 0.084 nan 8.370 nan 0.000 0.467 334 P HA -0.130 nan 4.420 nan 0.000 0.216 334 P C 0.587 177.887 177.300 0.000 0.000 1.150 334 P CA 0.879 63.979 63.100 -0.000 0.000 0.837 334 P CB 0.245 31.934 31.700 -0.019 0.000 0.786 335 D N -1.776 118.610 120.400 -0.023 0.000 2.117 335 D HA -0.131 4.509 4.640 0.001 0.000 0.198 335 D C 2.011 178.258 176.300 -0.089 0.000 0.982 335 D CA 1.003 54.948 54.000 -0.092 0.000 0.828 335 D CB -0.654 40.050 40.800 -0.161 0.000 0.967 335 D HN 0.274 nan 8.370 nan 0.000 0.464 336 W N 1.830 123.121 121.300 -0.015 0.000 2.388 336 W HA -0.080 4.580 4.660 0.001 0.000 0.294 336 W C 2.488 179.130 176.519 0.204 0.000 1.212 336 W CA 0.542 57.906 57.345 0.031 0.000 1.271 336 W CB 0.004 29.331 29.460 -0.222 0.000 1.126 336 W HN 0.015 nan 8.180 nan 0.000 0.535 337 E N -0.113 120.306 120.200 0.365 0.000 2.077 337 E HA -0.260 4.090 4.350 0.001 0.000 0.193 337 E C 1.826 178.577 176.600 0.251 0.000 0.989 337 E CA 1.417 58.045 56.400 0.381 0.000 0.800 337 E CB -0.187 29.633 29.700 0.200 0.000 0.746 337 E HN 0.130 nan 8.360 nan 0.000 0.452 338 E N 0.988 121.263 120.200 0.124 0.000 2.106 338 E HA -0.153 4.198 4.350 0.001 0.000 0.192 338 E C 1.868 178.499 176.600 0.052 0.000 0.984 338 E CA 0.509 56.945 56.400 0.060 0.000 0.806 338 E CB -0.135 29.531 29.700 -0.057 0.000 0.750 338 E HN 0.099 nan 8.360 nan 0.000 0.458 339 L N 0.041 121.277 121.223 0.021 0.000 2.056 339 L HA -0.055 4.286 4.340 0.001 0.000 0.207 339 L C 2.253 179.160 176.870 0.062 0.000 1.078 339 L CA 1.419 56.235 54.840 -0.040 0.000 0.749 339 L CB -0.769 41.236 42.059 -0.091 0.000 0.901 339 L HN 0.352 nan 8.230 nan 0.000 0.433 340 L N -1.143 120.194 121.223 0.189 0.000 2.012 340 L HA -0.254 4.086 4.340 0.001 0.000 0.210 340 L C 2.339 179.276 176.870 0.112 0.000 1.073 340 L CA 2.018 56.893 54.840 0.058 0.000 0.748 340 L CB -1.036 40.946 42.059 -0.127 0.000 0.891 340 L HN 0.357 nan 8.230 nan 0.000 0.431 341 F N 0.258 120.230 119.950 0.037 0.000 2.134 341 F HA -0.228 4.299 4.527 0.001 0.000 0.299 341 F C 2.321 178.197 175.800 0.125 0.000 1.097 341 F CA 1.911 59.967 58.000 0.093 0.000 1.264 341 F CB -0.144 38.877 39.000 0.035 0.000 1.001 341 F HN 0.041 nan 8.300 nan 0.000 0.479 342 K N 0.307 120.645 120.400 -0.103 0.000 2.057 342 K HA -0.120 4.201 4.320 0.001 0.000 0.206 342 K C 2.056 178.590 176.600 -0.111 0.000 1.050 342 K CA 1.590 57.755 56.287 -0.203 0.000 0.935 342 K CB -0.342 32.056 32.500 -0.170 0.000 0.715 342 K HN 0.351 nan 8.250 nan 0.000 0.439 343 L N -0.618 120.610 121.223 0.008 0.000 2.017 343 L HA -0.189 4.151 4.340 0.001 0.000 0.208 343 L C 2.397 179.366 176.870 0.165 0.000 1.073 343 L CA 1.239 56.166 54.840 0.145 0.000 0.745 343 L CB -0.466 41.702 42.059 0.182 0.000 0.894 343 L HN 0.351 nan 8.230 nan 0.000 0.432 344 W N 0.857 122.116 121.300 -0.069 0.000 2.358 344 W HA -0.209 4.451 4.660 0.000 0.000 0.303 344 W C 2.503 178.741 176.519 -0.469 0.000 1.208 344 W CA 2.048 59.212 57.345 -0.301 0.000 1.274 344 W CB -0.505 28.849 29.460 -0.176 0.000 1.138 344 W HN -0.027 nan 8.180 nan 0.000 0.515 345 T N -0.022 114.211 114.554 -0.535 0.000 2.684 345 T HA -0.288 4.062 4.350 0.001 0.000 0.267 345 T C 1.800 176.155 174.700 -0.575 0.000 1.036 345 T CA 3.022 64.675 62.100 -0.746 0.000 1.148 345 T CB -0.972 67.486 68.868 -0.684 0.000 0.863 345 T HN 0.427 nan 8.240 nan 0.000 0.436 346 T N 0.594 114.936 114.554 -0.353 0.000 2.821 346 T HA -0.095 4.255 4.350 0.001 0.000 0.267 346 T C 2.011 176.473 174.700 -0.396 0.000 1.046 346 T CA 1.135 63.076 62.100 -0.265 0.000 1.139 346 T CB -0.235 68.555 68.868 -0.131 0.000 0.871 346 T HN 0.143 nan 8.240 nan 0.000 0.454 347 R N 1.300 121.490 120.500 -0.517 0.000 2.073 347 R HA 0.067 4.408 4.340 0.001 0.000 0.234 347 R C 2.305 178.251 176.300 -0.589 0.000 1.134 347 R CA 1.465 57.193 56.100 -0.619 0.000 0.952 347 R CB -1.308 28.287 30.300 -1.174 0.000 0.850 347 R HN 0.381 nan 8.270 nan 0.000 0.433 348 V N 0.814 120.257 119.914 -0.785 0.000 2.343 348 V HA -0.218 3.902 4.120 0.001 0.000 0.247 348 V C 2.348 178.185 176.094 -0.428 0.000 1.051 348 V CA 1.864 63.751 62.300 -0.689 0.000 1.036 348 V CB -0.456 30.695 31.823 -1.121 0.000 0.654 348 V HN 0.280 nan 8.190 nan 0.000 0.451 349 L N 0.303 121.211 121.223 -0.525 0.000 2.056 349 L HA -0.173 4.168 4.340 0.001 0.000 0.207 349 L C 2.572 179.123 176.870 -0.531 0.000 1.078 349 L CA 1.774 56.247 54.840 -0.613 0.000 0.749 349 L CB -0.736 40.728 42.059 -0.991 0.000 0.901 349 L HN 0.449 nan 8.230 nan 0.000 0.433 350 N N 0.098 118.620 118.700 -0.296 0.000 2.084 350 N HA -0.292 4.448 4.740 0.001 0.000 0.190 350 N C 2.096 177.531 175.510 -0.125 0.000 1.030 350 N CA 1.799 54.813 53.050 -0.059 0.000 0.849 350 N CB -0.201 38.245 38.487 -0.068 0.000 1.012 350 N HN 0.363 nan 8.380 nan 0.000 0.423 351 Y N 1.793 121.928 120.300 -0.275 0.000 2.165 351 Y HA -0.180 4.370 4.550 0.000 0.000 0.286 351 Y C 2.383 178.132 175.900 -0.252 0.000 1.155 351 Y CA 2.338 60.262 58.100 -0.294 0.000 1.164 351 Y CB -0.810 37.470 38.460 -0.300 0.000 0.978 351 Y HN 0.013 nan 8.280 nan 0.000 0.513 352 T N 1.047 115.388 114.554 -0.355 0.000 2.708 352 T HA -0.169 4.181 4.350 0.001 0.000 0.266 352 T C 1.729 176.221 174.700 -0.347 0.000 1.037 352 T CA 1.931 63.812 62.100 -0.366 0.000 1.146 352 T CB -0.190 68.607 68.868 -0.119 0.000 0.865 352 T HN 0.287 nan 8.240 nan 0.000 0.435 353 M N 1.510 120.957 119.600 -0.255 0.000 2.334 353 M HA 0.074 4.554 4.480 0.001 0.000 0.266 353 M C 2.532 178.719 176.300 -0.188 0.000 1.082 353 M CA 1.201 56.405 55.300 -0.161 0.000 1.141 353 M CB -1.730 30.871 32.600 0.001 0.000 1.380 353 M HN 0.433 nan 8.290 nan 0.000 0.440 354 T N -3.353 111.061 114.554 -0.234 0.000 3.037 354 T HA 0.224 4.574 4.350 0.001 0.000 0.251 354 T C 1.573 176.059 174.700 -0.357 0.000 1.079 354 T CA 0.301 62.255 62.100 -0.244 0.000 1.067 354 T CB 0.018 68.779 68.868 -0.179 0.000 0.948 354 T HN 0.106 nan 8.240 nan 0.000 0.496 355 V N 0.641 120.257 119.914 -0.496 0.000 3.278 355 V HA 0.475 4.595 4.120 0.001 0.000 0.215 355 V C 2.939 178.753 176.094 -0.468 0.000 1.287 355 V CA 0.422 62.419 62.300 -0.505 0.000 1.302 355 V CB -0.786 30.561 31.823 -0.793 0.000 1.228 355 V HN 0.422 nan 8.190 nan 0.000 0.523 356 A N 0.189 122.581 122.820 -0.714 0.000 1.933 356 A HA -0.170 4.151 4.320 0.001 0.000 0.218 356 A C 2.036 179.473 177.584 -0.245 0.000 1.175 356 A CA 1.996 53.769 52.037 -0.440 0.000 0.628 356 A CB -0.545 18.192 19.000 -0.439 0.000 0.814 356 A HN 0.408 nan 8.150 nan 0.000 0.444 357 L N -0.036 121.027 121.223 -0.267 0.000 2.362 357 L HA -0.031 4.309 4.340 0.001 0.000 0.219 357 L C 2.061 178.820 176.870 -0.184 0.000 1.134 357 L CA 1.392 56.117 54.840 -0.192 0.000 0.807 357 L CB -0.584 41.363 42.059 -0.187 0.000 0.927 357 L HN 0.359 nan 8.230 nan 0.000 0.447 358 R N -0.283 120.068 120.500 -0.249 0.000 2.313 358 R HA 0.372 4.712 4.340 0.001 0.000 0.199 358 R C 0.638 176.870 176.300 -0.114 0.000 0.958 358 R CA 0.525 56.460 56.100 -0.275 0.000 1.047 358 R CB -0.149 29.765 30.300 -0.643 0.000 0.955 358 R HN 0.430 nan 8.270 nan 0.000 0.481 359 G N -0.161 108.614 108.800 -0.043 0.000 2.515 359 G HA2 -0.287 3.673 3.960 0.001 0.000 0.686 359 G HA3 -0.287 3.673 3.960 0.001 0.000 0.686 359 G C -0.320 174.650 174.900 0.117 0.000 1.274 359 G CA -0.497 44.633 45.100 0.051 0.000 0.874 359 G HN 0.141 nan 8.290 nan 0.000 0.631 360 Y N 0.349 120.674 120.300 0.042 0.000 2.181 360 Y HA -0.090 4.460 4.550 0.001 0.000 0.288 360 Y C 2.533 178.486 175.900 0.088 0.000 1.146 360 Y CA 2.692 60.830 58.100 0.062 0.000 1.164 360 Y CB 0.134 38.628 38.460 0.057 0.000 0.982 360 Y HN 0.568 nan 8.280 nan 0.000 0.515 361 D N -0.902 119.605 120.400 0.179 0.000 2.117 361 D HA -0.236 4.404 4.640 0.001 0.000 0.198 361 D C 1.889 178.210 176.300 0.036 0.000 0.982 361 D CA 1.547 55.606 54.000 0.098 0.000 0.828 361 D CB -0.791 40.093 40.800 0.139 0.000 0.967 361 D HN 0.481 nan 8.370 nan 0.000 0.464 362 Y N 1.672 121.957 120.300 -0.024 0.000 2.165 362 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 362 Y C 2.321 178.195 175.900 -0.044 0.000 1.155 362 Y CA 1.862 59.944 58.100 -0.030 0.000 1.164 362 Y CB -0.135 38.297 38.460 -0.047 0.000 0.978 362 Y HN -0.050 nan 8.280 nan 0.000 0.513 363 A N -0.176 122.679 122.820 0.058 0.000 1.930 363 A HA -0.185 4.136 4.320 0.001 0.000 0.217 363 A C 2.076 179.588 177.584 -0.120 0.000 1.175 363 A CA 1.581 53.608 52.037 -0.017 0.000 0.627 363 A CB -0.509 18.444 19.000 -0.078 0.000 0.815 363 A HN 0.503 nan 8.150 nan 0.000 0.443 364 Q N -0.150 119.520 119.800 -0.216 0.000 2.046 364 Q HA -0.230 4.110 4.340 0.001 0.000 0.200 364 Q C 2.295 178.300 176.000 0.008 0.000 0.975 364 Q CA 2.060 57.787 55.803 -0.126 0.000 0.836 364 Q CB -0.612 28.060 28.738 -0.111 0.000 0.896 364 Q HN 0.970 nan 8.270 nan 0.000 0.428 365 Q N -0.360 119.395 119.800 -0.075 0.000 2.084 365 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 365 Q C 1.930 177.834 176.000 -0.161 0.000 0.978 365 Q CA 1.795 57.538 55.803 -0.100 0.000 0.844 365 Q CB -1.157 27.481 28.738 -0.167 0.000 0.898 365 Q HN 0.432 nan 8.270 nan 0.000 0.426 366 Y N 0.764 120.860 120.300 -0.340 0.000 2.128 366 Y HA -0.162 4.388 4.550 0.001 0.000 0.284 366 Y C 1.786 177.515 175.900 -0.285 0.000 1.154 366 Y CA 1.866 59.776 58.100 -0.316 0.000 1.149 366 Y CB -0.123 38.178 38.460 -0.264 0.000 0.976 366 Y HN 0.151 nan 8.280 nan 0.000 0.505 367 L N -1.355 119.623 121.223 -0.409 0.000 2.056 367 L HA -0.242 4.098 4.340 0.001 0.000 0.207 367 L C 2.172 178.643 176.870 -0.665 0.000 1.078 367 L CA 1.436 55.779 54.840 -0.828 0.000 0.749 367 L CB -0.747 40.306 42.059 -1.677 0.000 0.901 367 L HN 0.245 nan 8.230 nan 0.000 0.433 368 Y N -0.162 119.938 120.300 -0.333 0.000 2.242 368 Y HA -0.161 4.390 4.550 0.001 0.000 0.291 368 Y C 2.730 178.524 175.900 -0.177 0.000 1.137 368 Y CA 1.156 59.207 58.100 -0.081 0.000 1.181 368 Y CB -0.210 38.250 38.460 -0.000 0.000 0.989 368 Y HN 0.012 nan 8.280 nan 0.000 0.527 369 R N -0.529 119.890 120.500 -0.135 0.000 2.153 369 R HA -0.116 4.224 4.340 0.001 0.000 0.218 369 R C 2.323 178.411 176.300 -0.353 0.000 1.072 369 R CA 1.152 57.127 56.100 -0.208 0.000 0.990 369 R CB -0.302 29.869 30.300 -0.214 0.000 0.889 369 R HN 0.398 nan 8.270 nan 0.000 0.452 370 M N 1.008 120.257 119.600 -0.585 0.000 2.080 370 M HA -0.206 4.275 4.480 0.001 0.000 0.260 370 M C 1.860 177.824 176.300 -0.560 0.000 1.068 370 M CA 1.811 56.673 55.300 -0.731 0.000 1.109 370 M CB -0.071 31.992 32.600 -0.896 0.000 1.342 370 M HN 0.155 nan 8.290 nan 0.000 0.405 371 L N -0.282 120.763 121.223 -0.297 0.000 2.083 371 L HA -0.137 4.204 4.340 0.001 0.000 0.209 371 L C 2.687 179.478 176.870 -0.130 0.000 1.083 371 L CA 1.345 56.104 54.840 -0.136 0.000 0.752 371 L CB -1.464 40.531 42.059 -0.106 0.000 0.899 371 L HN 0.524 nan 8.230 nan 0.000 0.433 372 G N -0.199 108.514 108.800 -0.145 0.000 2.418 372 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 372 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 372 G C 1.759 176.658 174.900 -0.002 0.000 1.158 372 G CA 0.430 45.494 45.100 -0.060 0.000 0.771 372 G HN 0.276 nan 8.290 nan 0.000 0.545 373 R N -0.847 119.608 120.500 -0.074 0.000 2.081 373 R HA -0.027 4.313 4.340 0.001 0.000 0.235 373 R C 2.353 178.749 176.300 0.158 0.000 1.131 373 R CA 1.276 57.380 56.100 0.007 0.000 0.960 373 R CB -0.483 29.752 30.300 -0.109 0.000 0.856 373 R HN 0.547 nan 8.270 nan 0.000 0.436 374 Y N 0.230 120.542 120.300 0.019 0.000 2.181 374 Y HA -0.208 4.342 4.550 0.001 0.000 0.288 374 Y C 2.662 178.568 175.900 0.010 0.000 1.146 374 Y CA 0.723 58.829 58.100 0.010 0.000 1.164 374 Y CB -0.003 38.436 38.460 -0.034 0.000 0.982 374 Y HN 0.050 nan 8.280 nan 0.000 0.515 375 R N -0.739 119.858 120.500 0.162 0.000 2.073 375 R HA -0.219 4.122 4.340 0.001 0.000 0.234 375 R C 2.150 178.503 176.300 0.088 0.000 1.134 375 R CA 1.875 58.023 56.100 0.079 0.000 0.952 375 R CB -0.728 29.602 30.300 0.050 0.000 0.850 375 R HN 0.399 nan 8.270 nan 0.000 0.433 376 Y N 1.833 122.146 120.300 0.022 0.000 2.128 376 Y HA -0.320 4.230 4.550 0.000 0.000 0.284 376 Y C 2.318 178.243 175.900 0.042 0.000 1.154 376 Y CA 1.822 59.940 58.100 0.030 0.000 1.149 376 Y CB 0.006 38.489 38.460 0.039 0.000 0.976 376 Y HN 0.081 nan 8.280 nan 0.000 0.505 377 Q N -0.148 119.712 119.800 0.098 0.000 2.084 377 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 377 Q C 2.518 178.497 176.000 -0.035 0.000 0.978 377 Q CA 1.625 57.440 55.803 0.018 0.000 0.844 377 Q CB -0.397 28.427 28.738 0.144 0.000 0.898 377 Q HN 0.626 nan 8.270 nan 0.000 0.426 378 A N 0.784 123.604 122.820 0.000 0.000 1.933 378 A HA -0.095 4.225 4.320 0.001 0.000 0.218 378 A C 2.227 179.784 177.584 -0.045 0.000 1.175 378 A CA 1.550 53.573 52.037 -0.024 0.000 0.628 378 A CB -0.709 18.281 19.000 -0.016 0.000 0.814 378 A HN 0.398 nan 8.150 nan 0.000 0.444 379 A N -0.709 122.072 122.820 -0.065 0.000 2.014 379 A HA 0.151 4.471 4.320 0.001 0.000 0.218 379 A C 1.985 179.541 177.584 -0.047 0.000 1.163 379 A CA 1.042 53.067 52.037 -0.019 0.000 0.652 379 A CB -0.376 18.600 19.000 -0.039 0.000 0.808 379 A HN 0.445 nan 8.150 nan 0.000 0.449 380 L N -0.238 120.890 121.223 -0.157 0.000 2.492 380 L HA -0.035 4.306 4.340 0.001 0.000 0.223 380 L C 1.996 178.811 176.870 -0.092 0.000 1.132 380 L CA 1.237 55.974 54.840 -0.172 0.000 0.850 380 L CB -0.156 41.719 42.059 -0.306 0.000 0.966 380 L HN 0.716 nan 8.230 nan 0.000 0.454 381 E N -0.964 119.193 120.200 -0.072 0.000 2.548 381 E HA 0.233 4.584 4.350 0.001 0.000 0.206 381 E C 0.209 176.781 176.600 -0.047 0.000 1.005 381 E CA 0.374 56.739 56.400 -0.057 0.000 0.951 381 E CB 0.182 29.842 29.700 -0.067 0.000 1.035 381 E HN 0.382 nan 8.360 nan 0.000 0.470 382 N N 0.000 118.683 118.700 -0.029 0.000 1.763 382 N HA 0.000 4.740 4.740 0.001 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667