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 1xl9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIDFGTIATA MVTPFDINGN IDFAKTTKLV NYLIDNGTTA IVVGGTTGES DATA SEQUENCE PTLTSEEKVA LYRHVVSVVD KRVPVIAGTG SNNTHASIDL TKKATEVGVD DATA SEQUENCE AVMLVAPYYN KPSQEGMYQH FKAIAESTPL PVMLYNVPGR SIVQISVDTV DATA SEQUENCE VRLSEIENIV AIKDAGGDVL TMTEIIEKTA DDFAVYSGDD GLTLPAMAVG DATA SEQUENCE AKGIVSVASH VIGNEMQEMI AAFQAGEFKK AQKLHQLLVR VTDSLFMAPS DATA SEQUENCE PTPVKTALQM VGLDVGSVRL PLLPLTEEER VTLQSVMQSI PR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.227 176.300 -0.122 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.066 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 I N 3.164 123.606 120.570 -0.212 0.000 2.842 2 I HA 0.558 4.728 4.170 -0.000 0.000 0.297 2 I C -2.239 173.571 176.117 -0.511 0.000 1.380 2 I CA -0.186 60.896 61.300 -0.363 0.000 1.018 2 I CB 2.189 39.907 38.000 -0.469 0.000 1.311 2 I HN 0.847 nan 8.210 nan 0.000 0.439 3 D N 5.017 125.137 120.400 -0.466 0.000 2.549 3 D HA 0.369 5.009 4.640 -0.000 0.000 0.251 3 D C -0.363 175.783 176.300 -0.257 0.000 1.153 3 D CA -0.186 53.629 54.000 -0.308 0.000 0.861 3 D CB 1.055 41.778 40.800 -0.128 0.000 1.207 3 D HN 0.313 nan 8.370 nan 0.000 0.543 4 F N 2.095 122.073 119.950 0.048 0.000 2.776 4 F HA 0.382 4.909 4.527 -0.000 0.000 0.300 4 F C 1.814 177.643 175.800 0.047 0.000 1.116 4 F CA 0.580 58.575 58.000 -0.009 0.000 1.375 4 F CB -0.144 38.758 39.000 -0.163 0.000 1.109 4 F HN 0.607 nan 8.300 nan 0.000 0.585 5 G N 0.420 109.377 108.800 0.260 0.000 2.615 5 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.218 5 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.218 5 G C 0.818 175.876 174.900 0.262 0.000 1.339 5 G CA 0.022 45.236 45.100 0.191 0.000 0.884 5 G HN 0.280 nan 8.290 nan 0.000 0.559 6 T N -1.695 112.955 114.554 0.161 0.000 3.057 6 T HA 0.495 4.845 4.350 -0.000 0.000 0.254 6 T C 1.107 175.907 174.700 0.167 0.000 1.094 6 T CA 1.348 63.531 62.100 0.138 0.000 1.088 6 T CB 0.178 69.088 68.868 0.070 0.000 0.934 6 T HN 0.940 nan 8.240 nan 0.000 0.497 7 I N 1.683 122.333 120.570 0.134 0.000 2.560 7 I HA 0.556 4.726 4.170 -0.000 0.000 0.278 7 I C -0.265 175.864 176.117 0.019 0.000 1.089 7 I CA -1.133 60.209 61.300 0.070 0.000 1.086 7 I CB 1.363 39.378 38.000 0.025 0.000 1.202 7 I HN 0.148 nan 8.210 nan 0.000 0.471 8 A N 3.898 126.701 122.820 -0.028 0.000 2.302 8 A HA 0.837 5.157 4.320 -0.000 0.000 0.285 8 A C 0.007 177.513 177.584 -0.129 0.000 1.105 8 A CA -0.144 51.812 52.037 -0.134 0.000 0.816 8 A CB 0.781 19.595 19.000 -0.311 0.000 1.067 8 A HN 0.545 nan 8.150 nan 0.000 0.489 9 T N 1.419 115.885 114.554 -0.146 0.000 2.841 9 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 9 T C -0.056 174.570 174.700 -0.123 0.000 0.991 9 T CA 0.192 62.201 62.100 -0.151 0.000 0.966 9 T CB 1.451 70.187 68.868 -0.220 0.000 0.962 9 T HN 1.023 nan 8.240 nan 0.000 0.438 10 A N 4.806 127.588 122.820 -0.062 0.000 2.805 10 A HA 0.429 4.749 4.320 -0.000 0.000 0.301 10 A C 0.464 178.130 177.584 0.137 0.000 1.557 10 A CA -0.365 51.666 52.037 -0.010 0.000 1.254 10 A CB -0.532 18.462 19.000 -0.012 0.000 1.114 10 A HN 0.897 nan 8.150 nan 0.000 0.553 11 M N 3.796 123.447 119.600 0.085 0.000 2.246 11 M HA 0.218 4.698 4.480 -0.000 0.000 0.350 11 M C 0.519 176.891 176.300 0.121 0.000 1.406 11 M CA -0.169 55.234 55.300 0.172 0.000 1.089 11 M CB 0.527 33.167 32.600 0.066 0.000 1.782 11 M HN 0.637 nan 8.290 nan 0.000 0.457 12 V N 2.851 122.827 119.914 0.103 0.000 3.287 12 V HA 0.184 4.304 4.120 -0.000 0.000 0.306 12 V C 0.058 176.067 176.094 -0.142 0.000 1.103 12 V CA -0.219 62.013 62.300 -0.112 0.000 1.159 12 V CB 0.480 32.142 31.823 -0.268 0.000 1.036 12 V HN 0.849 nan 8.190 nan 0.000 0.487 13 T N 4.989 119.364 114.554 -0.300 0.000 2.801 13 T HA 0.444 4.793 4.350 -0.000 0.000 0.306 13 T C -2.603 171.662 174.700 -0.724 0.000 1.020 13 T CA -0.904 60.944 62.100 -0.419 0.000 0.948 13 T CB 1.068 69.701 68.868 -0.392 0.000 0.962 13 T HN 0.735 nan 8.240 nan 0.000 0.465 14 P HA 0.181 nan 4.420 nan 0.000 0.262 14 P C -0.764 176.277 177.300 -0.432 0.000 1.199 14 P CA 0.085 62.939 63.100 -0.410 0.000 0.763 14 P CB 0.057 31.627 31.700 -0.216 0.000 0.790 15 F N 1.905 121.789 119.950 -0.109 0.000 2.458 15 F HA 0.290 4.817 4.527 -0.000 0.000 0.330 15 F C 1.339 177.090 175.800 -0.082 0.000 1.082 15 F CA -0.925 57.012 58.000 -0.105 0.000 0.995 15 F CB 1.174 40.122 39.000 -0.086 0.000 1.170 15 F HN 0.290 nan 8.300 nan 0.000 0.478 16 D N 1.038 121.521 120.400 0.138 0.000 2.478 16 D HA 0.060 4.700 4.640 -0.000 0.000 0.274 16 D C 1.077 177.406 176.300 0.048 0.000 1.234 16 D CA -0.358 53.678 54.000 0.060 0.000 1.069 16 D CB 0.473 41.296 40.800 0.038 0.000 1.113 16 D HN 0.598 nan 8.370 nan 0.000 0.571 17 I N -0.691 119.891 120.570 0.021 0.000 2.361 17 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 17 I C 0.860 176.973 176.117 -0.007 0.000 1.133 17 I CA 1.073 62.377 61.300 0.007 0.000 1.413 17 I CB -0.253 37.748 38.000 0.001 0.000 1.073 17 I HN 0.306 nan 8.210 nan 0.000 0.424 18 N N 0.477 119.169 118.700 -0.013 0.000 2.383 18 N HA 0.159 4.898 4.740 -0.000 0.000 0.192 18 N C 0.886 176.353 175.510 -0.072 0.000 1.141 18 N CA 0.653 53.682 53.050 -0.035 0.000 0.851 18 N CB 0.724 39.194 38.487 -0.030 0.000 0.976 18 N HN 0.456 nan 8.380 nan 0.000 0.465 19 G N 0.289 109.043 108.800 -0.075 0.000 2.141 19 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.231 19 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.231 19 G C -0.381 174.315 174.900 -0.341 0.000 0.984 19 G CA -0.399 44.570 45.100 -0.219 0.000 0.660 19 G HN 0.373 nan 8.290 nan 0.000 0.525 20 N N -0.573 118.057 118.700 -0.117 0.000 2.489 20 N HA 0.626 5.366 4.740 -0.000 0.000 0.284 20 N C 0.606 176.166 175.510 0.083 0.000 1.158 20 N CA -0.831 52.182 53.050 -0.061 0.000 0.965 20 N CB 1.093 39.574 38.487 -0.010 0.000 1.195 20 N HN 0.207 nan 8.380 nan 0.000 0.506 21 I N 0.812 121.425 120.570 0.073 0.000 2.752 21 I HA -0.116 4.054 4.170 -0.000 0.000 0.289 21 I C 0.168 176.160 176.117 -0.208 0.000 1.197 21 I CA 0.746 61.997 61.300 -0.082 0.000 1.432 21 I CB 0.155 37.864 38.000 -0.484 0.000 1.359 21 I HN 0.454 nan 8.210 nan 0.000 0.571 22 D N 6.735 127.007 120.400 -0.213 0.000 2.467 22 D HA 0.163 4.803 4.640 -0.000 0.000 0.220 22 D C 0.560 176.735 176.300 -0.208 0.000 1.103 22 D CA -0.202 53.721 54.000 -0.128 0.000 0.886 22 D CB 0.477 41.242 40.800 -0.059 0.000 1.025 22 D HN 0.285 nan 8.370 nan 0.000 0.514 23 F N 1.899 121.779 119.950 -0.118 0.000 2.325 23 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 23 F C 2.401 178.140 175.800 -0.102 0.000 1.090 23 F CA 0.741 58.569 58.000 -0.286 0.000 1.392 23 F CB 0.071 38.761 39.000 -0.516 0.000 1.053 23 F HN 0.488 nan 8.300 nan 0.000 0.521 24 A N -0.455 122.439 122.820 0.123 0.000 1.930 24 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 24 A C 2.056 179.695 177.584 0.092 0.000 1.176 24 A CA 1.277 53.389 52.037 0.125 0.000 0.632 24 A CB -0.398 18.653 19.000 0.086 0.000 0.819 24 A HN 0.178 nan 8.150 nan 0.000 0.445 25 K N -0.478 119.945 120.400 0.038 0.000 2.217 25 K HA -0.016 4.303 4.320 -0.000 0.000 0.202 25 K C 1.923 178.531 176.600 0.013 0.000 1.051 25 K CA 1.573 57.864 56.287 0.006 0.000 0.952 25 K CB -0.331 32.149 32.500 -0.034 0.000 0.736 25 K HN 0.473 nan 8.250 nan 0.000 0.453 26 T N -0.223 114.347 114.554 0.026 0.000 2.746 26 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 26 T C 1.671 176.465 174.700 0.156 0.000 1.039 26 T CA 1.815 63.959 62.100 0.072 0.000 1.142 26 T CB -0.377 68.543 68.868 0.086 0.000 0.866 26 T HN 0.264 nan 8.240 nan 0.000 0.444 27 T N 1.606 116.303 114.554 0.238 0.000 2.708 27 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 27 T C 1.994 176.752 174.700 0.097 0.000 1.037 27 T CA 1.404 63.606 62.100 0.171 0.000 1.146 27 T CB -0.210 68.777 68.868 0.199 0.000 0.865 27 T HN 0.383 nan 8.240 nan 0.000 0.435 28 K N 0.667 121.119 120.400 0.086 0.000 2.063 28 K HA -0.010 4.310 4.320 -0.000 0.000 0.208 28 K C 2.264 178.911 176.600 0.079 0.000 1.048 28 K CA 1.021 57.347 56.287 0.066 0.000 0.928 28 K CB -0.382 32.139 32.500 0.036 0.000 0.713 28 K HN 0.234 nan 8.250 nan 0.000 0.442 29 L N 0.473 121.734 121.223 0.064 0.000 2.017 29 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 29 L C 2.169 179.117 176.870 0.131 0.000 1.073 29 L CA 1.389 56.282 54.840 0.089 0.000 0.745 29 L CB -0.259 41.833 42.059 0.056 0.000 0.894 29 L HN 0.123 nan 8.230 nan 0.000 0.432 30 V N 0.384 120.351 119.914 0.087 0.000 2.295 30 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 30 V C 2.266 178.393 176.094 0.055 0.000 1.049 30 V CA 2.016 64.351 62.300 0.059 0.000 1.024 30 V CB -0.798 31.047 31.823 0.037 0.000 0.648 30 V HN 0.528 nan 8.190 nan 0.000 0.447 31 N N -0.754 117.985 118.700 0.065 0.000 2.149 31 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 31 N C 1.737 177.295 175.510 0.080 0.000 1.019 31 N CA 1.867 54.951 53.050 0.057 0.000 0.857 31 N CB -0.435 38.088 38.487 0.059 0.000 0.997 31 N HN 0.714 nan 8.380 nan 0.000 0.426 32 Y N 1.572 121.870 120.300 -0.004 0.000 2.163 32 Y HA -0.055 4.495 4.550 -0.000 0.000 0.288 32 Y C 2.237 178.126 175.900 -0.018 0.000 1.136 32 Y CA 1.245 59.341 58.100 -0.006 0.000 1.147 32 Y CB -0.424 38.037 38.460 0.000 0.000 0.987 32 Y HN -0.066 nan 8.280 nan 0.000 0.509 33 L N -0.034 121.190 121.223 0.003 0.000 2.012 33 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 33 L C 2.476 179.252 176.870 -0.156 0.000 1.073 33 L CA 1.693 56.460 54.840 -0.121 0.000 0.748 33 L CB -0.656 41.377 42.059 -0.044 0.000 0.891 33 L HN 0.306 nan 8.230 nan 0.000 0.431 34 I N -0.130 120.387 120.570 -0.088 0.000 2.264 34 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 34 I C 1.733 177.793 176.117 -0.095 0.000 1.111 34 I CA 1.470 62.727 61.300 -0.073 0.000 1.382 34 I CB -0.354 37.623 38.000 -0.038 0.000 1.060 34 I HN 0.275 nan 8.210 nan 0.000 0.418 35 D N 0.461 120.785 120.400 -0.127 0.000 2.347 35 D HA -0.053 4.587 4.640 -0.000 0.000 0.215 35 D C 0.928 177.109 176.300 -0.198 0.000 0.976 35 D CA 0.744 54.661 54.000 -0.138 0.000 0.884 35 D CB 0.098 40.824 40.800 -0.124 0.000 0.915 35 D HN 0.222 nan 8.370 nan 0.000 0.526 36 N N -0.923 117.605 118.700 -0.286 0.000 2.480 36 N HA 0.225 4.965 4.740 -0.000 0.000 0.281 36 N C 0.372 175.769 175.510 -0.189 0.000 1.381 36 N CA 0.308 53.177 53.050 -0.301 0.000 0.903 36 N CB 1.626 39.760 38.487 -0.587 0.000 1.274 36 N HN 0.161 nan 8.380 nan 0.000 0.505 37 G N 0.309 109.034 108.800 -0.125 0.000 2.195 37 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.224 37 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.224 37 G C 0.270 175.133 174.900 -0.061 0.000 0.990 37 G CA -0.263 44.792 45.100 -0.075 0.000 0.639 37 G HN 0.289 nan 8.290 nan 0.000 0.514 38 T N 1.956 116.460 114.554 -0.083 0.000 2.779 38 T HA 0.452 4.802 4.350 -0.000 0.000 0.296 38 T C 1.609 176.287 174.700 -0.036 0.000 0.938 38 T CA 0.935 62.995 62.100 -0.067 0.000 1.119 38 T CB 1.208 70.019 68.868 -0.095 0.000 0.891 38 T HN 0.668 nan 8.240 nan 0.000 0.526 39 T N -0.047 114.502 114.554 -0.008 0.000 3.069 39 T HA 0.601 4.951 4.350 -0.000 0.000 0.252 39 T C 0.389 175.113 174.700 0.041 0.000 1.053 39 T CA -0.123 61.990 62.100 0.022 0.000 0.964 39 T CB 0.316 69.217 68.868 0.054 0.000 1.005 39 T HN 0.696 nan 8.240 nan 0.000 0.532 40 A N 0.549 123.373 122.820 0.006 0.000 2.594 40 A HA 0.694 5.014 4.320 -0.000 0.000 0.296 40 A C -1.641 175.896 177.584 -0.078 0.000 1.061 40 A CA -0.934 51.103 52.037 0.001 0.000 0.689 40 A CB 0.948 19.976 19.000 0.047 0.000 1.280 40 A HN 0.366 nan 8.150 nan 0.000 0.406 41 I N 1.593 122.116 120.570 -0.079 0.000 2.406 41 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 41 I C -0.705 175.338 176.117 -0.123 0.000 0.999 41 I CA -0.977 60.269 61.300 -0.090 0.000 1.124 41 I CB 2.046 40.019 38.000 -0.044 0.000 1.289 41 I HN 0.363 nan 8.210 nan 0.000 0.441 42 V N 7.301 127.134 119.914 -0.135 0.000 2.350 42 V HA 0.343 4.463 4.120 -0.000 0.000 0.276 42 V C -0.076 175.988 176.094 -0.051 0.000 1.028 42 V CA -0.627 61.589 62.300 -0.140 0.000 0.860 42 V CB 1.481 33.189 31.823 -0.192 0.000 0.990 42 V HN 0.400 nan 8.190 nan 0.000 0.453 43 V N 2.810 122.717 119.914 -0.013 0.000 2.459 43 V HA 0.789 4.909 4.120 -0.000 0.000 0.295 43 V C 1.016 177.222 176.094 0.188 0.000 1.029 43 V CA -0.037 62.319 62.300 0.094 0.000 0.874 43 V CB 0.883 32.812 31.823 0.177 0.000 0.985 43 V HN 1.154 nan 8.190 nan 0.000 0.438 44 G N 3.051 111.955 108.800 0.173 0.000 2.272 44 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.280 44 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.280 44 G C 0.391 175.391 174.900 0.167 0.000 1.067 44 G CA 0.253 45.469 45.100 0.193 0.000 0.902 44 G HN 1.407 nan 8.290 nan 0.000 0.500 45 G N -1.560 107.304 108.800 0.106 0.000 2.828 45 G HA2 0.626 4.586 3.960 -0.000 0.000 0.244 45 G HA3 0.626 4.586 3.960 -0.000 0.000 0.244 45 G C 1.170 176.129 174.900 0.098 0.000 1.365 45 G CA 0.840 46.003 45.100 0.105 0.000 1.041 45 G HN 0.489 nan 8.290 nan 0.000 0.560 46 T N 0.308 114.938 114.554 0.127 0.000 2.653 46 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 46 T C 2.451 177.197 174.700 0.077 0.000 1.035 46 T CA 2.281 64.452 62.100 0.117 0.000 1.154 46 T CB -0.509 68.475 68.868 0.193 0.000 0.862 46 T HN 0.418 nan 8.240 nan 0.000 0.441 47 T N 0.733 115.329 114.554 0.070 0.000 2.951 47 T HA 0.105 4.455 4.350 -0.000 0.000 0.268 47 T C 1.844 176.538 174.700 -0.010 0.000 1.073 47 T CA 0.982 63.104 62.100 0.036 0.000 1.134 47 T CB -0.292 68.611 68.868 0.058 0.000 0.884 47 T HN 0.513 nan 8.240 nan 0.000 0.479 48 G N 0.796 109.600 108.800 0.008 0.000 3.440 48 G HA2 0.272 4.232 3.960 -0.000 0.000 0.263 48 G HA3 0.272 4.232 3.960 -0.000 0.000 0.263 48 G C 0.010 174.920 174.900 0.017 0.000 1.236 48 G CA -0.386 44.701 45.100 -0.021 0.000 0.927 48 G HN 0.516 nan 8.290 nan 0.000 0.530 49 E N -0.169 120.055 120.200 0.039 0.000 2.476 49 E HA -0.301 4.049 4.350 -0.000 0.000 0.251 49 E C 1.962 178.611 176.600 0.082 0.000 1.130 49 E CA 0.314 56.761 56.400 0.078 0.000 0.736 49 E CB -1.425 28.376 29.700 0.168 0.000 1.298 49 E HN 0.658 nan 8.360 nan 0.000 0.400 50 S N -0.796 114.946 115.700 0.071 0.000 2.400 50 S HA -0.185 4.285 4.470 -0.000 0.000 0.234 50 S C -0.572 174.054 174.600 0.044 0.000 1.049 50 S CA 1.452 59.697 58.200 0.075 0.000 1.039 50 S CB -0.804 62.459 63.200 0.106 0.000 0.856 50 S HN 0.204 nan 8.310 nan 0.000 0.465 51 P HA -0.020 nan 4.420 nan 0.000 0.219 51 P C 1.433 178.727 177.300 -0.011 0.000 1.146 51 P CA 1.831 64.913 63.100 -0.031 0.000 0.808 51 P CB -0.461 31.190 31.700 -0.081 0.000 0.779 52 T N -5.426 109.130 114.554 0.003 0.000 3.054 52 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 52 T C 0.384 175.073 174.700 -0.018 0.000 1.035 52 T CA -0.208 61.881 62.100 -0.017 0.000 0.941 52 T CB -0.281 68.568 68.868 -0.032 0.000 1.026 52 T HN -0.217 nan 8.240 nan 0.000 0.533 53 L N 3.940 125.175 121.223 0.021 0.000 2.292 53 L HA 0.466 4.806 4.340 -0.000 0.000 0.284 53 L C 0.959 177.831 176.870 0.005 0.000 1.065 53 L CA -0.383 54.467 54.840 0.017 0.000 0.806 53 L CB 1.153 43.238 42.059 0.042 0.000 1.175 53 L HN 0.393 nan 8.230 nan 0.000 0.431 54 T N -0.933 113.615 114.554 -0.009 0.000 2.860 54 T HA 0.089 4.439 4.350 -0.000 0.000 0.299 54 T C 1.349 176.045 174.700 -0.007 0.000 1.045 54 T CA 0.134 62.232 62.100 -0.003 0.000 1.071 54 T CB 0.715 69.578 68.868 -0.007 0.000 0.985 54 T HN 0.566 nan 8.240 nan 0.000 0.537 55 S N 0.465 116.169 115.700 0.006 0.000 2.399 55 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 55 S C 1.749 176.334 174.600 -0.025 0.000 1.022 55 S CA 1.511 59.713 58.200 0.004 0.000 0.983 55 S CB -0.653 62.565 63.200 0.030 0.000 0.803 55 S HN 0.806 nan 8.310 nan 0.000 0.480 56 E N 1.135 121.328 120.200 -0.012 0.000 2.047 56 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 56 E C 2.154 178.742 176.600 -0.020 0.000 0.987 56 E CA 1.513 57.907 56.400 -0.010 0.000 0.799 56 E CB -0.248 29.454 29.700 0.004 0.000 0.752 56 E HN 0.646 nan 8.360 nan 0.000 0.449 57 E N 0.509 120.700 120.200 -0.015 0.000 2.070 57 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 57 E C 1.986 178.533 176.600 -0.089 0.000 1.004 57 E CA 1.363 57.761 56.400 -0.003 0.000 0.805 57 E CB -0.068 29.632 29.700 0.001 0.000 0.744 57 E HN 0.108 nan 8.360 nan 0.000 0.451 58 K N 0.173 120.459 120.400 -0.190 0.000 2.020 58 K HA -0.174 4.145 4.320 -0.000 0.000 0.212 58 K C 2.127 178.189 176.600 -0.896 0.000 1.050 58 K CA 1.481 57.469 56.287 -0.498 0.000 0.929 58 K CB -0.193 32.069 32.500 -0.397 0.000 0.714 58 K HN -0.022 nan 8.250 nan 0.000 0.443 59 V N 0.916 120.538 119.914 -0.487 0.000 2.358 59 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 59 V C 2.245 178.298 176.094 -0.068 0.000 1.047 59 V CA 1.926 64.075 62.300 -0.251 0.000 1.035 59 V CB -0.629 31.173 31.823 -0.034 0.000 0.658 59 V HN 0.396 nan 8.190 nan 0.000 0.452 60 A N -0.124 122.689 122.820 -0.010 0.000 1.883 60 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 60 A C 2.176 179.919 177.584 0.266 0.000 1.186 60 A CA 2.180 54.289 52.037 0.119 0.000 0.624 60 A CB -0.604 18.505 19.000 0.181 0.000 0.822 60 A HN 0.442 nan 8.150 nan 0.000 0.444 61 L N -1.281 120.048 121.223 0.177 0.000 2.017 61 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 61 L C 2.369 179.385 176.870 0.243 0.000 1.073 61 L CA 1.894 56.849 54.840 0.192 0.000 0.745 61 L CB -0.826 41.235 42.059 0.003 0.000 0.894 61 L HN 0.486 nan 8.230 nan 0.000 0.432 62 Y N -0.072 120.315 120.300 0.145 0.000 2.193 62 Y HA -0.255 4.295 4.550 -0.000 0.000 0.285 62 Y C 2.869 178.837 175.900 0.113 0.000 1.166 62 Y CA 1.553 59.717 58.100 0.106 0.000 1.181 62 Y CB -1.132 37.373 38.460 0.076 0.000 0.976 62 Y HN 0.270 nan 8.280 nan 0.000 0.520 63 R N -0.648 120.019 120.500 0.278 0.000 2.061 63 R HA -0.188 4.152 4.340 -0.000 0.000 0.230 63 R C 2.409 178.825 176.300 0.194 0.000 1.140 63 R CA 1.621 57.836 56.100 0.192 0.000 0.940 63 R CB -0.728 29.655 30.300 0.139 0.000 0.839 63 R HN 0.463 nan 8.270 nan 0.000 0.429 64 H N 0.037 119.198 119.070 0.152 0.000 2.319 64 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 64 H C 1.967 177.382 175.328 0.146 0.000 1.097 64 H CA 2.193 58.337 56.048 0.160 0.000 1.285 64 H CB 0.100 30.061 29.762 0.333 0.000 1.368 64 H HN 0.126 nan 8.280 nan 0.000 0.495 65 V N 0.520 120.532 119.914 0.163 0.000 2.343 65 V HA -0.226 3.893 4.120 -0.000 0.000 0.247 65 V C 2.907 179.005 176.094 0.007 0.000 1.051 65 V CA 1.357 63.690 62.300 0.055 0.000 1.036 65 V CB -0.567 31.333 31.823 0.128 0.000 0.654 65 V HN 0.249 nan 8.190 nan 0.000 0.451 66 V N 0.019 119.962 119.914 0.048 0.000 2.255 66 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 66 V C 2.768 178.857 176.094 -0.008 0.000 1.051 66 V CA 2.497 64.813 62.300 0.027 0.000 1.018 66 V CB -0.655 31.199 31.823 0.052 0.000 0.641 66 V HN 0.724 nan 8.190 nan 0.000 0.445 67 S N -0.284 115.403 115.700 -0.022 0.000 2.368 67 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 67 S C 1.940 176.490 174.600 -0.084 0.000 1.044 67 S CA 2.500 60.671 58.200 -0.049 0.000 1.062 67 S CB -0.450 62.721 63.200 -0.049 0.000 0.931 67 S HN 0.321 nan 8.310 nan 0.000 0.440 68 V N 1.295 121.113 119.914 -0.160 0.000 2.453 68 V HA -0.062 4.057 4.120 -0.000 0.000 0.247 68 V C 2.627 178.681 176.094 -0.066 0.000 1.048 68 V CA 1.530 63.745 62.300 -0.141 0.000 1.049 68 V CB -0.674 31.017 31.823 -0.219 0.000 0.672 68 V HN 0.470 nan 8.190 nan 0.000 0.457 69 V N -0.016 119.869 119.914 -0.049 0.000 2.343 69 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 69 V C 1.534 177.618 176.094 -0.017 0.000 1.051 69 V CA 1.923 64.210 62.300 -0.022 0.000 1.036 69 V CB -0.764 31.053 31.823 -0.009 0.000 0.654 69 V HN 0.862 nan 8.190 nan 0.000 0.451 70 D N -0.483 119.907 120.400 -0.017 0.000 2.723 70 D HA -0.249 4.391 4.640 -0.000 0.000 0.236 70 D C 0.737 177.033 176.300 -0.006 0.000 1.138 70 D CA 0.873 54.866 54.000 -0.012 0.000 0.676 70 D CB -0.893 39.899 40.800 -0.014 0.000 1.069 70 D HN 0.476 nan 8.370 nan 0.000 0.430 71 K N -1.988 118.410 120.400 -0.003 0.000 3.472 71 K HA -0.267 4.053 4.320 -0.000 0.000 0.315 71 K C 1.399 177.999 176.600 -0.001 0.000 1.320 71 K CA 1.382 57.669 56.287 -0.001 0.000 0.962 71 K CB -1.534 30.965 32.500 -0.002 0.000 1.251 71 K HN 0.587 nan 8.250 nan 0.000 0.443 72 R N 0.193 120.691 120.500 -0.003 0.000 2.148 72 R HA 0.041 4.381 4.340 -0.000 0.000 0.227 72 R C 0.928 177.228 176.300 -0.001 0.000 1.103 72 R CA 1.000 57.097 56.100 -0.004 0.000 0.983 72 R CB 0.303 30.599 30.300 -0.008 0.000 0.874 72 R HN 0.021 nan 8.270 nan 0.000 0.451 73 V N 0.518 120.435 119.914 0.006 0.000 2.969 73 V HA 0.234 4.353 4.120 -0.000 0.000 0.304 73 V C -2.536 173.579 176.094 0.034 0.000 1.192 73 V CA -2.309 60.001 62.300 0.017 0.000 0.962 73 V CB 2.557 34.384 31.823 0.006 0.000 1.045 73 V HN -0.089 nan 8.190 nan 0.000 0.428 74 P HA 0.128 nan 4.420 nan 0.000 0.265 74 P C -1.057 176.285 177.300 0.069 0.000 1.187 74 P CA 0.184 63.353 63.100 0.116 0.000 0.766 74 P CB 0.376 32.253 31.700 0.294 0.000 0.820 75 V N 5.228 125.168 119.914 0.043 0.000 2.370 75 V HA 0.343 4.463 4.120 -0.000 0.000 0.283 75 V C 0.342 176.408 176.094 -0.047 0.000 1.023 75 V CA -0.311 61.984 62.300 -0.008 0.000 0.857 75 V CB 0.965 32.787 31.823 -0.002 0.000 0.985 75 V HN 0.353 nan 8.190 nan 0.000 0.443 76 I N 4.272 124.767 120.570 -0.125 0.000 2.362 76 I HA 0.666 4.835 4.170 -0.000 0.000 0.289 76 I C 0.477 176.469 176.117 -0.208 0.000 0.994 76 I CA -0.331 60.852 61.300 -0.195 0.000 1.158 76 I CB 1.736 39.520 38.000 -0.360 0.000 1.315 76 I HN 0.656 nan 8.210 nan 0.000 0.451 77 A N 4.365 127.020 122.820 -0.275 0.000 2.301 77 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 77 A C 0.681 178.118 177.584 -0.245 0.000 1.185 77 A CA -0.483 51.284 52.037 -0.450 0.000 0.830 77 A CB 0.549 18.956 19.000 -0.988 0.000 1.112 77 A HN 0.886 nan 8.150 nan 0.000 0.508 78 G N 1.613 110.357 108.800 -0.093 0.000 3.101 78 G HA2 0.344 4.304 3.960 -0.000 0.000 0.272 78 G HA3 0.344 4.304 3.960 -0.000 0.000 0.272 78 G C 0.787 175.774 174.900 0.146 0.000 0.801 78 G CA 0.556 45.691 45.100 0.057 0.000 1.978 78 G HN 0.988 nan 8.290 nan 0.000 0.591 79 T N -1.132 113.479 114.554 0.095 0.000 3.060 79 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 79 T C 1.256 176.049 174.700 0.156 0.000 1.079 79 T CA 0.203 62.388 62.100 0.142 0.000 1.013 79 T CB 0.745 69.653 68.868 0.066 0.000 0.975 79 T HN 0.342 nan 8.240 nan 0.000 0.518 80 G N 1.570 110.482 108.800 0.186 0.000 2.370 80 G HA2 0.498 4.458 3.960 -0.000 0.000 0.272 80 G HA3 0.498 4.458 3.960 -0.000 0.000 0.272 80 G C -0.064 174.997 174.900 0.269 0.000 1.208 80 G CA -0.198 45.039 45.100 0.229 0.000 0.856 80 G HN 0.552 nan 8.290 nan 0.000 0.500 81 S N 0.264 116.099 115.700 0.224 0.000 2.786 81 S HA 0.317 4.787 4.470 -0.000 0.000 0.302 81 S C 0.944 175.484 174.600 -0.099 0.000 1.080 81 S CA -0.461 57.851 58.200 0.187 0.000 0.925 81 S CB 1.154 64.471 63.200 0.194 0.000 1.325 81 S HN 0.725 nan 8.310 nan 0.000 0.576 82 N N -0.149 118.276 118.700 -0.457 0.000 2.314 82 N HA 0.051 4.791 4.740 -0.000 0.000 0.200 82 N C -0.270 175.121 175.510 -0.199 0.000 1.135 82 N CA -0.293 52.453 53.050 -0.507 0.000 0.835 82 N CB -0.143 37.896 38.487 -0.746 0.000 0.989 82 N HN 0.385 nan 8.380 nan 0.000 0.478 83 N N 0.783 119.467 118.700 -0.026 0.000 2.518 83 N HA 0.153 4.893 4.740 -0.000 0.000 0.254 83 N C 0.309 175.898 175.510 0.131 0.000 0.979 83 N CA -0.288 52.796 53.050 0.056 0.000 0.930 83 N CB 1.670 40.202 38.487 0.075 0.000 1.152 83 N HN -0.062 nan 8.380 nan 0.000 0.505 84 T N 1.598 116.247 114.554 0.159 0.000 2.708 84 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 84 T C 1.399 176.128 174.700 0.048 0.000 1.037 84 T CA 1.536 63.695 62.100 0.098 0.000 1.146 84 T CB -0.459 68.470 68.868 0.102 0.000 0.865 84 T HN 0.713 nan 8.240 nan 0.000 0.435 85 H N 1.328 120.402 119.070 0.007 0.000 2.387 85 H HA 0.074 4.630 4.556 -0.000 0.000 0.299 85 H C 2.150 177.487 175.328 0.015 0.000 1.099 85 H CA 1.546 57.597 56.048 0.005 0.000 1.315 85 H CB -0.339 29.429 29.762 0.009 0.000 1.380 85 H HN 0.330 nan 8.280 nan 0.000 0.513 86 A N -0.818 122.045 122.820 0.071 0.000 2.016 86 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 86 A C 2.456 180.048 177.584 0.012 0.000 1.162 86 A CA 1.214 53.276 52.037 0.042 0.000 0.662 86 A CB -0.325 18.739 19.000 0.106 0.000 0.812 86 A HN 0.469 nan 8.150 nan 0.000 0.450 87 S N -0.043 115.667 115.700 0.016 0.000 2.371 87 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 87 S C 1.770 176.351 174.600 -0.032 0.000 1.029 87 S CA 1.147 59.356 58.200 0.015 0.000 0.978 87 S CB -0.407 62.792 63.200 -0.002 0.000 0.833 87 S HN 0.548 nan 8.310 nan 0.000 0.466 88 I N 1.822 122.340 120.570 -0.087 0.000 2.127 88 I HA -0.237 3.932 4.170 -0.000 0.000 0.241 88 I C 2.434 178.494 176.117 -0.095 0.000 1.075 88 I CA 1.627 62.865 61.300 -0.103 0.000 1.334 88 I CB -0.423 37.490 38.000 -0.144 0.000 1.040 88 I HN 0.238 nan 8.210 nan 0.000 0.405 89 D N 0.898 121.213 120.400 -0.142 0.000 2.104 89 D HA -0.239 4.400 4.640 -0.000 0.000 0.194 89 D C 1.990 178.285 176.300 -0.008 0.000 0.994 89 D CA 1.348 55.293 54.000 -0.092 0.000 0.830 89 D CB -0.034 40.699 40.800 -0.110 0.000 0.959 89 D HN 0.181 nan 8.370 nan 0.000 0.452 90 L N -0.300 120.939 121.223 0.028 0.000 2.240 90 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 90 L C 2.121 179.051 176.870 0.099 0.000 1.106 90 L CA 1.345 56.243 54.840 0.097 0.000 0.793 90 L CB -0.565 41.578 42.059 0.139 0.000 0.927 90 L HN -0.017 nan 8.230 nan 0.000 0.446 91 T N -0.733 113.847 114.554 0.043 0.000 2.777 91 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 91 T C 1.893 176.602 174.700 0.015 0.000 1.040 91 T CA 1.440 63.550 62.100 0.017 0.000 1.141 91 T CB -0.014 68.852 68.868 -0.004 0.000 0.868 91 T HN 0.140 nan 8.240 nan 0.000 0.444 92 K N 1.279 121.686 120.400 0.012 0.000 1.991 92 K HA -0.014 4.306 4.320 -0.000 0.000 0.212 92 K C 2.278 178.901 176.600 0.038 0.000 1.049 92 K CA 1.420 57.715 56.287 0.013 0.000 0.932 92 K CB -0.105 32.394 32.500 -0.002 0.000 0.717 92 K HN 0.197 nan 8.250 nan 0.000 0.441 93 K N -0.183 120.253 120.400 0.060 0.000 2.074 93 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 93 K C 2.118 178.795 176.600 0.128 0.000 1.048 93 K CA 1.422 57.762 56.287 0.090 0.000 0.926 93 K CB -0.278 32.284 32.500 0.104 0.000 0.713 93 K HN 0.209 nan 8.250 nan 0.000 0.444 94 A N 1.008 123.919 122.820 0.151 0.000 1.873 94 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 94 A C 2.288 179.896 177.584 0.040 0.000 1.193 94 A CA 2.398 54.500 52.037 0.108 0.000 0.629 94 A CB -1.262 17.691 19.000 -0.078 0.000 0.826 94 A HN 0.306 nan 8.150 nan 0.000 0.447 95 T N -0.296 114.269 114.554 0.018 0.000 2.665 95 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 95 T C 1.846 176.563 174.700 0.028 0.000 1.035 95 T CA 1.538 63.645 62.100 0.013 0.000 1.151 95 T CB -0.317 68.556 68.868 0.009 0.000 0.862 95 T HN 0.482 nan 8.240 nan 0.000 0.438 96 E N 0.783 121.005 120.200 0.038 0.000 2.265 96 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 96 E C 2.150 178.779 176.600 0.048 0.000 0.996 96 E CA 0.956 57.379 56.400 0.039 0.000 0.832 96 E CB -0.042 29.682 29.700 0.039 0.000 0.756 96 E HN 0.559 nan 8.360 nan 0.000 0.491 97 V N -4.350 115.605 119.914 0.068 0.000 3.621 97 V HA 0.434 4.554 4.120 -0.000 0.000 0.285 97 V C 1.040 177.175 176.094 0.068 0.000 1.346 97 V CA 0.622 62.970 62.300 0.080 0.000 1.104 97 V CB 0.431 32.331 31.823 0.128 0.000 0.913 97 V HN 0.154 nan 8.190 nan 0.000 0.432 98 G N 0.858 109.686 108.800 0.046 0.000 2.141 98 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.195 98 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.195 98 G C 0.066 174.978 174.900 0.020 0.000 1.012 98 G CA 0.242 45.360 45.100 0.029 0.000 0.696 98 G HN 1.708 nan 8.290 nan 0.000 0.508 99 V N -2.613 117.305 119.914 0.007 0.000 3.376 99 V HA 0.524 4.644 4.120 -0.000 0.000 0.303 99 V C 1.066 177.156 176.094 -0.007 0.000 1.100 99 V CA 0.875 63.164 62.300 -0.018 0.000 1.126 99 V CB 1.069 32.836 31.823 -0.093 0.000 1.085 99 V HN 0.144 nan 8.190 nan 0.000 0.480 100 D N 1.222 121.627 120.400 0.008 0.000 2.388 100 D HA 0.436 5.076 4.640 -0.000 0.000 0.208 100 D C 0.591 176.931 176.300 0.068 0.000 1.035 100 D CA 1.335 55.360 54.000 0.041 0.000 0.875 100 D CB 1.229 42.070 40.800 0.069 0.000 0.984 100 D HN 0.941 nan 8.370 nan 0.000 0.508 101 A N 0.545 123.396 122.820 0.053 0.000 2.599 101 A HA 0.570 4.890 4.320 -0.000 0.000 0.290 101 A C -1.196 176.364 177.584 -0.040 0.000 1.101 101 A CA -0.678 51.394 52.037 0.057 0.000 0.674 101 A CB 1.500 20.619 19.000 0.198 0.000 1.277 101 A HN -0.041 nan 8.150 nan 0.000 0.419 102 V N -1.853 118.040 119.914 -0.034 0.000 2.769 102 V HA 0.855 4.975 4.120 -0.000 0.000 0.312 102 V C -0.266 175.795 176.094 -0.056 0.000 1.061 102 V CA -0.722 61.537 62.300 -0.069 0.000 0.931 102 V CB 1.696 33.496 31.823 -0.039 0.000 1.010 102 V HN 1.030 nan 8.190 nan 0.000 0.433 103 M N 4.361 123.924 119.600 -0.061 0.000 2.294 103 M HA 0.638 5.118 4.480 -0.000 0.000 0.335 103 M C -1.716 174.645 176.300 0.102 0.000 1.079 103 M CA -0.654 54.634 55.300 -0.019 0.000 0.982 103 M CB 1.530 34.077 32.600 -0.090 0.000 1.651 103 M HN 0.735 nan 8.290 nan 0.000 0.437 104 L N 5.611 126.940 121.223 0.176 0.000 2.342 104 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 104 L C -0.420 176.730 176.870 0.468 0.000 0.997 104 L CA -0.866 54.178 54.840 0.340 0.000 0.838 104 L CB 1.582 43.896 42.059 0.424 0.000 1.224 104 L HN 0.431 nan 8.230 nan 0.000 0.416 105 V N 3.332 123.522 119.914 0.460 0.000 2.811 105 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 105 V C 0.875 177.212 176.094 0.406 0.000 1.063 105 V CA -0.331 62.183 62.300 0.357 0.000 1.088 105 V CB 1.618 33.607 31.823 0.277 0.000 0.982 105 V HN 0.880 nan 8.190 nan 0.000 0.485 106 A N 8.348 131.350 122.820 0.304 0.000 2.548 106 A HA 0.336 4.655 4.320 -0.000 0.000 0.247 106 A C -2.257 175.321 177.584 -0.010 0.000 1.067 106 A CA -0.783 51.379 52.037 0.209 0.000 0.757 106 A CB -0.573 18.507 19.000 0.133 0.000 0.996 106 A HN 0.783 nan 8.150 nan 0.000 0.504 107 P HA 0.097 nan 4.420 nan 0.000 0.260 107 P C -0.705 176.456 177.300 -0.231 0.000 1.185 107 P CA 0.761 63.612 63.100 -0.415 0.000 0.763 107 P CB -0.124 31.231 31.700 -0.575 0.000 0.776 108 Y N 2.608 122.897 120.300 -0.018 0.000 2.316 108 Y HA 0.330 4.880 4.550 -0.000 0.000 0.324 108 Y C 1.515 177.492 175.900 0.128 0.000 1.267 108 Y CA -0.983 57.140 58.100 0.039 0.000 1.311 108 Y CB -0.002 38.482 38.460 0.041 0.000 1.267 108 Y HN 0.481 nan 8.280 nan 0.000 0.516 109 Y N 1.250 121.624 120.300 0.123 0.000 2.760 109 Y HA -0.447 4.103 4.550 -0.000 0.000 0.484 109 Y C 1.383 177.281 175.900 -0.003 0.000 1.172 109 Y CA 2.302 60.449 58.100 0.078 0.000 2.808 109 Y CB -1.715 36.836 38.460 0.152 0.000 0.948 109 Y HN 0.849 nan 8.280 nan 0.000 0.551 110 N N 1.567 120.186 118.700 -0.135 0.000 2.461 110 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 110 N C -0.043 175.368 175.510 -0.165 0.000 1.134 110 N CA 1.086 53.998 53.050 -0.231 0.000 0.878 110 N CB -0.335 38.038 38.487 -0.190 0.000 0.972 110 N HN 0.602 nan 8.380 nan 0.000 0.456 111 K N 0.631 120.960 120.400 -0.118 0.000 3.689 111 K HA -0.117 4.203 4.320 -0.000 0.000 0.276 111 K C -2.080 174.466 176.600 -0.089 0.000 0.932 111 K CA 0.377 56.612 56.287 -0.085 0.000 0.758 111 K CB -1.268 31.190 32.500 -0.070 0.000 1.500 111 K HN 0.486 nan 8.250 nan 0.000 0.448 112 P HA 0.051 nan 4.420 nan 0.000 0.274 112 P C 0.056 177.322 177.300 -0.056 0.000 1.256 112 P CA -0.387 62.653 63.100 -0.099 0.000 0.795 112 P CB 0.794 32.400 31.700 -0.157 0.000 1.038 113 S N -0.173 115.506 115.700 -0.035 0.000 2.693 113 S HA 0.128 4.597 4.470 -0.000 0.000 0.276 113 S C 1.327 175.938 174.600 0.019 0.000 1.192 113 S CA -0.607 57.589 58.200 -0.007 0.000 0.994 113 S CB 0.718 63.916 63.200 -0.003 0.000 1.012 113 S HN 0.354 nan 8.310 nan 0.000 0.550 114 Q N 0.682 120.502 119.800 0.034 0.000 2.077 114 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 114 Q C 1.990 178.052 176.000 0.102 0.000 0.989 114 Q CA 2.143 57.986 55.803 0.067 0.000 0.853 114 Q CB -0.752 28.012 28.738 0.044 0.000 0.907 114 Q HN 0.930 nan 8.270 nan 0.000 0.418 115 E N -0.059 120.185 120.200 0.073 0.000 2.106 115 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 115 E C 1.915 178.604 176.600 0.148 0.000 0.984 115 E CA 1.391 57.858 56.400 0.112 0.000 0.806 115 E CB -0.669 29.066 29.700 0.059 0.000 0.750 115 E HN 0.383 nan 8.360 nan 0.000 0.458 116 G N 0.311 109.155 108.800 0.074 0.000 2.421 116 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 116 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 116 G C 1.648 176.561 174.900 0.022 0.000 1.171 116 G CA 0.986 46.106 45.100 0.034 0.000 0.775 116 G HN 0.250 nan 8.290 nan 0.000 0.543 117 M N -0.806 118.805 119.600 0.018 0.000 2.149 117 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 117 M C 2.378 178.769 176.300 0.151 0.000 1.064 117 M CA 1.312 56.597 55.300 -0.024 0.000 1.102 117 M CB -0.351 32.299 32.600 0.083 0.000 1.369 117 M HN 0.377 nan 8.290 nan 0.000 0.408 118 Y N 1.390 121.771 120.300 0.135 0.000 2.145 118 Y HA -0.264 4.286 4.550 0.000 0.000 0.286 118 Y C 2.498 178.479 175.900 0.135 0.000 1.145 118 Y CA 1.663 59.866 58.100 0.171 0.000 1.148 118 Y CB -0.251 38.270 38.460 0.103 0.000 0.981 118 Y HN 0.192 nan 8.280 nan 0.000 0.507 119 Q N -0.702 119.126 119.800 0.046 0.000 2.079 119 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 119 Q C 2.174 178.135 176.000 -0.064 0.000 0.974 119 Q CA 1.942 57.713 55.803 -0.053 0.000 0.840 119 Q CB -0.956 27.812 28.738 0.050 0.000 0.898 119 Q HN 0.715 nan 8.270 nan 0.000 0.430 120 H N 0.219 119.193 119.070 -0.161 0.000 2.252 120 H HA -0.181 4.375 4.556 0.000 0.000 0.292 120 H C 1.629 176.840 175.328 -0.195 0.000 1.082 120 H CA 2.222 58.121 56.048 -0.248 0.000 1.229 120 H CB -0.312 29.171 29.762 -0.465 0.000 1.353 120 H HN 0.128 nan 8.280 nan 0.000 0.488 121 F N 0.774 120.703 119.950 -0.036 0.000 2.186 121 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 121 F C 2.696 178.391 175.800 -0.174 0.000 1.090 121 F CA 1.526 59.462 58.000 -0.106 0.000 1.307 121 F CB -0.569 38.440 39.000 0.015 0.000 1.019 121 F HN 0.233 nan 8.300 nan 0.000 0.489 122 K N 0.585 120.929 120.400 -0.093 0.000 2.057 122 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 122 K C 2.242 178.772 176.600 -0.117 0.000 1.049 122 K CA 1.316 57.485 56.287 -0.196 0.000 0.931 122 K CB -0.304 31.924 32.500 -0.454 0.000 0.714 122 K HN 0.155 nan 8.250 nan 0.000 0.440 123 A N 1.247 123.996 122.820 -0.118 0.000 1.898 123 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 123 A C 2.079 179.610 177.584 -0.089 0.000 1.181 123 A CA 1.439 53.423 52.037 -0.089 0.000 0.620 123 A CB -0.520 18.430 19.000 -0.083 0.000 0.819 123 A HN 0.366 nan 8.150 nan 0.000 0.442 124 I N -0.260 120.237 120.570 -0.122 0.000 2.252 124 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 124 I C 2.942 179.036 176.117 -0.039 0.000 1.102 124 I CA 0.945 62.185 61.300 -0.099 0.000 1.385 124 I CB -0.373 37.545 38.000 -0.137 0.000 1.064 124 I HN 0.329 nan 8.210 nan 0.000 0.414 125 A N 0.589 123.401 122.820 -0.015 0.000 1.940 125 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 125 A C 2.179 179.758 177.584 -0.008 0.000 1.176 125 A CA 1.799 53.838 52.037 0.003 0.000 0.631 125 A CB -0.567 18.441 19.000 0.013 0.000 0.814 125 A HN 0.483 nan 8.150 nan 0.000 0.446 126 E N -0.021 120.166 120.200 -0.021 0.000 2.358 126 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 126 E C 2.062 178.653 176.600 -0.015 0.000 1.010 126 E CA 0.819 57.210 56.400 -0.016 0.000 0.856 126 E CB -0.074 29.613 29.700 -0.021 0.000 0.795 126 E HN 0.785 nan 8.360 nan 0.000 0.504 127 S N -0.215 115.471 115.700 -0.022 0.000 2.515 127 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 127 S C 0.914 175.506 174.600 -0.014 0.000 0.987 127 S CA 0.400 58.587 58.200 -0.022 0.000 0.936 127 S CB 0.280 63.458 63.200 -0.037 0.000 0.766 127 S HN 0.042 nan 8.310 nan 0.000 0.528 128 T N 1.329 115.879 114.554 -0.008 0.000 2.903 128 T HA 0.556 4.906 4.350 -0.000 0.000 0.299 128 T C -2.409 172.293 174.700 0.004 0.000 1.093 128 T CA -1.718 60.381 62.100 -0.002 0.000 1.002 128 T CB 2.034 70.901 68.868 -0.002 0.000 1.127 128 T HN -0.062 nan 8.240 nan 0.000 0.488 129 P HA 0.149 nan 4.420 nan 0.000 0.227 129 P C 0.457 177.764 177.300 0.012 0.000 1.161 129 P CA -0.027 63.078 63.100 0.008 0.000 0.788 129 P CB 0.139 31.843 31.700 0.006 0.000 0.822 130 L N 2.336 123.567 121.223 0.012 0.000 2.483 130 L HA 0.202 4.542 4.340 -0.000 0.000 0.275 130 L C -1.908 174.982 176.870 0.033 0.000 1.220 130 L CA -1.779 53.072 54.840 0.020 0.000 0.833 130 L CB -1.201 40.867 42.059 0.015 0.000 1.102 130 L HN -0.065 nan 8.230 nan 0.000 0.490 131 P HA 0.049 nan 4.420 nan 0.000 0.265 131 P C -0.766 176.588 177.300 0.090 0.000 1.193 131 P CA 0.010 63.155 63.100 0.075 0.000 0.765 131 P CB 0.467 32.221 31.700 0.089 0.000 0.823 132 V N 4.990 124.957 119.914 0.089 0.000 2.459 132 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 132 V C 0.367 176.504 176.094 0.072 0.000 1.029 132 V CA -0.568 61.773 62.300 0.068 0.000 0.874 132 V CB 1.526 33.383 31.823 0.056 0.000 0.985 132 V HN 0.553 nan 8.190 nan 0.000 0.438 133 M N 5.812 125.421 119.600 0.015 0.000 2.066 133 M HA 0.516 4.996 4.480 -0.000 0.000 0.340 133 M C -1.216 175.065 176.300 -0.033 0.000 1.053 133 M CA -0.663 54.616 55.300 -0.036 0.000 0.983 133 M CB 0.799 33.294 32.600 -0.174 0.000 1.520 133 M HN 0.431 nan 8.290 nan 0.000 0.428 134 L N 5.174 126.373 121.223 -0.040 0.000 2.483 134 L HA 0.133 4.473 4.340 -0.000 0.000 0.275 134 L C -0.774 176.142 176.870 0.075 0.000 1.220 134 L CA 0.596 55.373 54.840 -0.106 0.000 0.833 134 L CB -0.001 41.956 42.059 -0.171 0.000 1.102 134 L HN 0.617 nan 8.230 nan 0.000 0.490 135 Y N 3.009 123.292 120.300 -0.029 0.000 2.333 135 Y HA 0.358 4.908 4.550 0.000 0.000 0.324 135 Y C -0.509 175.444 175.900 0.088 0.000 1.033 135 Y CA -1.909 56.213 58.100 0.036 0.000 1.224 135 Y CB 0.890 39.383 38.460 0.054 0.000 1.120 135 Y HN 0.712 nan 8.280 nan 0.000 0.457 136 N N 4.133 122.952 118.700 0.198 0.000 2.419 136 N HA 0.451 5.190 4.740 -0.000 0.000 0.264 136 N C -1.547 173.936 175.510 -0.045 0.000 1.031 136 N CA -0.035 53.048 53.050 0.054 0.000 0.951 136 N CB 1.340 39.886 38.487 0.098 0.000 1.101 136 N HN 0.441 nan 8.380 nan 0.000 0.488 137 V N 7.256 127.066 119.914 -0.175 0.000 2.666 137 V HA 0.362 4.482 4.120 -0.000 0.000 0.269 137 V C -1.879 174.166 176.094 -0.082 0.000 0.926 137 V CA -1.307 60.892 62.300 -0.169 0.000 1.035 137 V CB 1.289 32.844 31.823 -0.446 0.000 1.099 137 V HN 0.684 nan 8.190 nan 0.000 0.519 138 P HA -0.078 nan 4.420 nan 0.000 0.219 138 P C 1.489 178.787 177.300 -0.003 0.000 1.146 138 P CA 1.658 64.755 63.100 -0.005 0.000 0.808 138 P CB 0.112 31.817 31.700 0.008 0.000 0.779 139 G N -0.342 108.453 108.800 -0.009 0.000 2.708 139 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.210 139 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.210 139 G C 1.564 176.463 174.900 -0.002 0.000 1.141 139 G CA 0.149 45.245 45.100 -0.006 0.000 0.788 139 G HN 0.335 nan 8.290 nan 0.000 0.531 140 R N -1.068 119.427 120.500 -0.008 0.000 2.492 140 R HA 0.199 4.539 4.340 -0.000 0.000 0.219 140 R C 1.884 178.206 176.300 0.037 0.000 0.886 140 R CA 0.394 56.495 56.100 0.001 0.000 1.003 140 R CB 0.314 30.603 30.300 -0.018 0.000 1.345 140 R HN 0.168 nan 8.270 nan 0.000 0.631 141 S N 0.245 115.967 115.700 0.037 0.000 2.502 141 S HA 0.274 4.744 4.470 -0.000 0.000 0.215 141 S C 1.153 175.787 174.600 0.058 0.000 1.009 141 S CA 0.134 58.385 58.200 0.085 0.000 0.908 141 S CB 0.446 63.684 63.200 0.063 0.000 0.801 141 S HN 0.282 nan 8.310 nan 0.000 0.505 142 I N -0.393 120.198 120.570 0.034 0.000 4.351 142 I HA -0.272 3.898 4.170 -0.000 0.000 0.070 142 I C 0.575 176.702 176.117 0.017 0.000 0.576 142 I CA 0.897 62.212 61.300 0.026 0.000 1.120 142 I CB -1.452 36.567 38.000 0.032 0.000 0.998 142 I HN 0.290 nan 8.210 nan 0.000 0.169 143 V N 1.048 120.972 119.914 0.016 0.000 2.881 143 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 143 V C 0.386 176.495 176.094 0.026 0.000 1.070 143 V CA -0.307 62.002 62.300 0.015 0.000 1.074 143 V CB 1.275 33.101 31.823 0.006 0.000 1.012 143 V HN 0.245 nan 8.190 nan 0.000 0.482 144 Q N 2.178 121.998 119.800 0.034 0.000 2.248 144 Q HA 0.588 4.928 4.340 -0.000 0.000 0.263 144 Q C -0.724 175.318 176.000 0.071 0.000 1.007 144 Q CA -0.761 55.069 55.803 0.046 0.000 0.877 144 Q CB 2.735 31.496 28.738 0.039 0.000 1.315 144 Q HN 0.801 nan 8.270 nan 0.000 0.454 145 I N 1.524 122.149 120.570 0.092 0.000 2.312 145 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 145 I C 0.759 176.927 176.117 0.085 0.000 1.031 145 I CA -0.399 60.972 61.300 0.119 0.000 1.293 145 I CB 0.738 38.825 38.000 0.145 0.000 1.403 145 I HN 0.476 nan 8.210 nan 0.000 0.484 146 S N 4.890 120.634 115.700 0.074 0.000 2.576 146 S HA 0.158 4.628 4.470 -0.000 0.000 0.276 146 S C 1.322 175.950 174.600 0.046 0.000 1.339 146 S CA -0.874 57.356 58.200 0.050 0.000 1.039 146 S CB 1.671 64.893 63.200 0.036 0.000 0.902 146 S HN 0.429 nan 8.310 nan 0.000 0.516 147 V N 2.264 122.200 119.914 0.037 0.000 2.252 147 V HA -0.286 3.834 4.120 -0.000 0.000 0.255 147 V C 2.311 178.411 176.094 0.010 0.000 1.071 147 V CA 2.578 64.895 62.300 0.029 0.000 1.050 147 V CB -0.969 30.868 31.823 0.023 0.000 0.654 147 V HN 0.913 nan 8.190 nan 0.000 0.448 148 D N -0.502 119.899 120.400 0.002 0.000 2.144 148 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 148 D C 2.198 178.487 176.300 -0.018 0.000 0.984 148 D CA 1.944 55.933 54.000 -0.018 0.000 0.834 148 D CB -0.388 40.395 40.800 -0.028 0.000 0.955 148 D HN 0.473 nan 8.370 nan 0.000 0.465 149 T N 0.971 115.534 114.554 0.015 0.000 2.777 149 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 149 T C 2.325 177.072 174.700 0.078 0.000 1.040 149 T CA 0.545 62.681 62.100 0.061 0.000 1.141 149 T CB -0.240 68.697 68.868 0.114 0.000 0.868 149 T HN -0.024 nan 8.240 nan 0.000 0.444 150 V N 1.265 121.205 119.914 0.044 0.000 2.343 150 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 150 V C 2.640 178.660 176.094 -0.123 0.000 1.051 150 V CA 1.252 63.551 62.300 -0.002 0.000 1.036 150 V CB -0.659 31.188 31.823 0.040 0.000 0.654 150 V HN 0.312 nan 8.190 nan 0.000 0.451 151 V N -0.117 119.734 119.914 -0.105 0.000 2.295 151 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 151 V C 2.581 178.602 176.094 -0.121 0.000 1.049 151 V CA 2.180 64.388 62.300 -0.152 0.000 1.024 151 V CB -0.763 31.007 31.823 -0.088 0.000 0.648 151 V HN 0.481 nan 8.190 nan 0.000 0.447 152 R N -0.316 120.153 120.500 -0.051 0.000 2.083 152 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 152 R C 2.279 178.642 176.300 0.105 0.000 1.137 152 R CA 1.495 57.597 56.100 0.004 0.000 0.951 152 R CB -0.476 29.786 30.300 -0.064 0.000 0.851 152 R HN 0.410 nan 8.270 nan 0.000 0.434 153 L N 0.727 122.029 121.223 0.131 0.000 2.131 153 L HA -0.164 4.175 4.340 -0.000 0.000 0.210 153 L C 2.611 179.444 176.870 -0.062 0.000 1.092 153 L CA 1.382 56.277 54.840 0.091 0.000 0.759 153 L CB -0.574 41.531 42.059 0.078 0.000 0.903 153 L HN 0.320 nan 8.230 nan 0.000 0.435 154 S N -0.567 114.969 115.700 -0.273 0.000 2.419 154 S HA -0.217 4.253 4.470 -0.000 0.000 0.233 154 S C 1.654 176.144 174.600 -0.184 0.000 1.016 154 S CA 1.120 59.028 58.200 -0.485 0.000 0.974 154 S CB -0.361 62.206 63.200 -1.056 0.000 0.786 154 S HN 0.479 nan 8.310 nan 0.000 0.492 155 E N 0.582 120.720 120.200 -0.103 0.000 2.409 155 E HA 0.151 4.501 4.350 -0.000 0.000 0.198 155 E C -0.039 176.568 176.600 0.012 0.000 1.024 155 E CA 0.226 56.609 56.400 -0.029 0.000 0.861 155 E CB -0.177 29.517 29.700 -0.010 0.000 0.788 155 E HN 0.648 nan 8.360 nan 0.000 0.521 156 I N 1.163 121.746 120.570 0.022 0.000 2.441 156 I HA -0.035 4.135 4.170 -0.000 0.000 0.287 156 I C 1.634 177.775 176.117 0.041 0.000 1.049 156 I CA 0.012 61.333 61.300 0.035 0.000 1.381 156 I CB 1.192 39.211 38.000 0.032 0.000 1.409 156 I HN 0.030 nan 8.210 nan 0.000 0.523 157 E N 4.974 125.197 120.200 0.037 0.000 2.058 157 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 157 E C 1.436 178.068 176.600 0.052 0.000 0.997 157 E CA 1.832 58.256 56.400 0.040 0.000 0.801 157 E CB 0.113 29.831 29.700 0.029 0.000 0.746 157 E HN 0.800 nan 8.360 nan 0.000 0.450 158 N N 0.551 119.281 118.700 0.050 0.000 2.398 158 N HA -0.020 4.720 4.740 -0.000 0.000 0.188 158 N C 0.103 175.665 175.510 0.086 0.000 1.122 158 N CA 0.189 53.273 53.050 0.058 0.000 0.866 158 N CB -0.036 38.476 38.487 0.041 0.000 0.970 158 N HN 0.190 nan 8.380 nan 0.000 0.462 159 I N 2.062 122.696 120.570 0.107 0.000 2.281 159 I HA 0.028 4.197 4.170 -0.000 0.000 0.293 159 I C 1.097 177.410 176.117 0.327 0.000 1.085 159 I CA -0.509 60.893 61.300 0.170 0.000 1.257 159 I CB 1.245 39.318 38.000 0.122 0.000 1.430 159 I HN -0.058 nan 8.210 nan 0.000 0.489 160 V N 2.846 122.932 119.914 0.287 0.000 3.645 160 V HA 0.669 4.789 4.120 -0.000 0.000 0.275 160 V C 0.549 176.603 176.094 -0.067 0.000 1.356 160 V CA 0.272 62.712 62.300 0.234 0.000 1.051 160 V CB 0.205 32.096 31.823 0.114 0.000 0.828 160 V HN 0.629 nan 8.190 nan 0.000 0.441 161 A N -0.044 122.625 122.820 -0.252 0.000 2.601 161 A HA 0.851 5.171 4.320 -0.000 0.000 0.291 161 A C -1.656 175.694 177.584 -0.390 0.000 1.075 161 A CA -0.299 51.398 52.037 -0.566 0.000 0.671 161 A CB 1.884 20.867 19.000 -0.027 0.000 1.277 161 A HN 0.664 nan 8.150 nan 0.000 0.417 162 I N 0.089 120.471 120.570 -0.313 0.000 2.686 162 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 162 I C -0.722 175.413 176.117 0.029 0.000 1.114 162 I CA -0.544 60.742 61.300 -0.024 0.000 1.038 162 I CB 1.894 39.976 38.000 0.137 0.000 1.238 162 I HN 0.692 nan 8.210 nan 0.000 0.420 163 K N 5.623 126.051 120.400 0.046 0.000 2.263 163 K HA 0.295 4.615 4.320 -0.000 0.000 0.272 163 K C -1.384 175.319 176.600 0.171 0.000 1.033 163 K CA -0.445 55.877 56.287 0.057 0.000 0.884 163 K CB 0.863 33.288 32.500 -0.125 0.000 1.107 163 K HN 0.500 nan 8.250 nan 0.000 0.460 164 D N 4.044 124.532 120.400 0.147 0.000 2.460 164 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 164 D C -0.480 175.899 176.300 0.131 0.000 1.079 164 D CA -0.370 53.717 54.000 0.146 0.000 0.864 164 D CB 1.469 42.334 40.800 0.108 0.000 1.048 164 D HN 0.591 nan 8.370 nan 0.000 0.523 165 A N 2.656 125.577 122.820 0.168 0.000 2.610 165 A HA 0.408 4.728 4.320 -0.000 0.000 0.286 165 A C 1.633 179.259 177.584 0.070 0.000 1.306 165 A CA 0.062 52.176 52.037 0.128 0.000 0.942 165 A CB 0.083 19.213 19.000 0.217 0.000 1.112 165 A HN 0.525 nan 8.150 nan 0.000 0.527 166 G N -0.794 108.043 108.800 0.061 0.000 2.679 166 G HA2 0.271 4.231 3.960 -0.000 0.000 0.212 166 G HA3 0.271 4.231 3.960 -0.000 0.000 0.212 166 G C 1.283 176.196 174.900 0.021 0.000 1.137 166 G CA 0.520 45.642 45.100 0.036 0.000 0.787 166 G HN 1.577 nan 8.290 nan 0.000 0.534 167 G N -0.224 108.587 108.800 0.018 0.000 2.166 167 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.260 167 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.260 167 G C 0.018 174.922 174.900 0.006 0.000 0.986 167 G CA 0.525 45.627 45.100 0.004 0.000 0.683 167 G HN 0.675 nan 8.290 nan 0.000 0.527 168 D N -0.095 120.313 120.400 0.013 0.000 2.469 168 D HA 0.439 5.079 4.640 -0.000 0.000 0.251 168 D C 1.513 177.820 176.300 0.012 0.000 1.173 168 D CA -0.008 53.998 54.000 0.011 0.000 0.882 168 D CB 1.338 42.147 40.800 0.015 0.000 1.129 168 D HN 0.515 nan 8.370 nan 0.000 0.549 169 V N 2.541 122.457 119.914 0.004 0.000 3.380 169 V HA 0.007 4.126 4.120 -0.000 0.000 0.268 169 V C 1.758 177.855 176.094 0.005 0.000 1.168 169 V CA 0.724 63.024 62.300 0.000 0.000 1.156 169 V CB -0.663 31.151 31.823 -0.015 0.000 0.785 169 V HN 0.531 nan 8.190 nan 0.000 0.487 170 L N 0.091 121.318 121.223 0.006 0.000 2.162 170 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 170 L C 2.766 179.646 176.870 0.016 0.000 1.086 170 L CA 1.607 56.453 54.840 0.009 0.000 0.778 170 L CB -0.931 41.131 42.059 0.006 0.000 0.928 170 L HN 0.294 nan 8.230 nan 0.000 0.446 171 T N 0.106 114.672 114.554 0.020 0.000 2.720 171 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 171 T C 1.994 176.718 174.700 0.039 0.000 1.037 171 T CA 1.460 63.577 62.100 0.030 0.000 1.144 171 T CB -0.154 68.734 68.868 0.033 0.000 0.864 171 T HN 0.196 nan 8.240 nan 0.000 0.444 172 M N 0.971 120.593 119.600 0.037 0.000 2.073 172 M HA -0.167 4.313 4.480 -0.000 0.000 0.258 172 M C 2.844 179.169 176.300 0.041 0.000 1.070 172 M CA 2.130 57.455 55.300 0.043 0.000 1.103 172 M CB -0.984 31.632 32.600 0.027 0.000 1.321 172 M HN 0.381 nan 8.290 nan 0.000 0.405 173 T N -0.673 113.897 114.554 0.027 0.000 2.699 173 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 173 T C 1.594 176.312 174.700 0.031 0.000 1.036 173 T CA 2.114 64.228 62.100 0.024 0.000 1.147 173 T CB -0.337 68.540 68.868 0.014 0.000 0.862 173 T HN 0.526 nan 8.240 nan 0.000 0.446 174 E N -0.218 120.001 120.200 0.031 0.000 2.152 174 E HA -0.024 4.325 4.350 -0.000 0.000 0.192 174 E C 2.223 178.847 176.600 0.040 0.000 0.983 174 E CA 0.919 57.337 56.400 0.030 0.000 0.818 174 E CB -0.196 29.519 29.700 0.024 0.000 0.758 174 E HN 0.699 nan 8.360 nan 0.000 0.467 175 I N 0.596 121.202 120.570 0.061 0.000 2.252 175 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 175 I C 2.272 178.458 176.117 0.114 0.000 1.102 175 I CA 0.800 62.156 61.300 0.093 0.000 1.385 175 I CB -0.163 37.927 38.000 0.149 0.000 1.064 175 I HN 0.157 nan 8.210 nan 0.000 0.414 176 I N 0.726 121.355 120.570 0.099 0.000 2.142 176 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 176 I C 2.657 178.814 176.117 0.067 0.000 1.078 176 I CA 1.573 62.928 61.300 0.092 0.000 1.343 176 I CB -0.298 37.736 38.000 0.057 0.000 1.046 176 I HN 0.225 nan 8.210 nan 0.000 0.405 177 E N 1.680 121.907 120.200 0.045 0.000 2.033 177 E HA -0.269 4.080 4.350 -0.000 0.000 0.199 177 E C 1.964 178.579 176.600 0.025 0.000 1.011 177 E CA 1.884 58.302 56.400 0.030 0.000 0.815 177 E CB -0.075 29.638 29.700 0.021 0.000 0.755 177 E HN 0.293 nan 8.360 nan 0.000 0.451 178 K N -0.126 120.286 120.400 0.020 0.000 2.459 178 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 178 K C 0.214 176.806 176.600 -0.014 0.000 1.030 178 K CA 0.819 57.107 56.287 0.001 0.000 1.026 178 K CB 0.215 32.711 32.500 -0.007 0.000 0.809 178 K HN 0.304 nan 8.250 nan 0.000 0.504 179 T N -1.290 113.267 114.554 0.004 0.000 2.928 179 T HA 0.602 4.952 4.350 -0.000 0.000 0.284 179 T C 0.344 175.067 174.700 0.040 0.000 1.008 179 T CA -1.127 60.964 62.100 -0.015 0.000 1.057 179 T CB 1.811 70.681 68.868 0.005 0.000 1.018 179 T HN 0.081 nan 8.240 nan 0.000 0.493 180 A N 1.532 124.372 122.820 0.033 0.000 2.504 180 A HA 0.186 4.506 4.320 -0.000 0.000 0.242 180 A C 1.240 178.881 177.584 0.095 0.000 1.100 180 A CA -0.263 51.807 52.037 0.055 0.000 0.786 180 A CB -0.329 18.700 19.000 0.048 0.000 1.050 180 A HN 0.928 nan 8.150 nan 0.000 0.512 181 D N 0.006 120.448 120.400 0.069 0.000 2.269 181 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 181 D C 0.701 177.047 176.300 0.076 0.000 0.963 181 D CA 1.451 55.490 54.000 0.064 0.000 0.864 181 D CB -0.123 40.699 40.800 0.038 0.000 0.936 181 D HN 0.727 nan 8.370 nan 0.000 0.505 182 D N -0.464 119.992 120.400 0.094 0.000 2.336 182 D HA -0.085 4.555 4.640 -0.000 0.000 0.228 182 D C -0.277 176.119 176.300 0.160 0.000 1.120 182 D CA -0.523 53.532 54.000 0.091 0.000 0.839 182 D CB -0.837 40.005 40.800 0.070 0.000 0.932 182 D HN 0.004 nan 8.370 nan 0.000 0.509 183 F N 1.816 121.781 119.950 0.026 0.000 2.332 183 F HA 0.578 5.105 4.527 -0.000 0.000 0.368 183 F C -0.245 175.587 175.800 0.053 0.000 1.110 183 F CA -1.494 56.532 58.000 0.044 0.000 1.087 183 F CB 0.984 40.006 39.000 0.037 0.000 1.235 183 F HN 0.015 nan 8.300 nan 0.000 0.470 184 A N 5.636 128.259 122.820 -0.329 0.000 2.362 184 A HA 0.589 4.909 4.320 -0.000 0.000 0.276 184 A C -0.955 176.440 177.584 -0.315 0.000 1.153 184 A CA -0.430 51.478 52.037 -0.215 0.000 0.813 184 A CB 0.326 19.350 19.000 0.040 0.000 1.081 184 A HN 0.541 nan 8.150 nan 0.000 0.507 185 V N 4.070 123.859 119.914 -0.208 0.000 2.357 185 V HA 0.299 4.419 4.120 -0.000 0.000 0.284 185 V C -0.997 175.009 176.094 -0.146 0.000 1.018 185 V CA -0.216 62.020 62.300 -0.106 0.000 0.841 185 V CB 0.488 32.302 31.823 -0.015 0.000 0.991 185 V HN 0.790 nan 8.190 nan 0.000 0.437 186 Y N 2.215 122.473 120.300 -0.071 0.000 2.360 186 Y HA 0.420 4.970 4.550 -0.000 0.000 0.337 186 Y C 0.963 176.845 175.900 -0.030 0.000 1.039 186 Y CA -0.128 57.942 58.100 -0.049 0.000 1.109 186 Y CB 1.984 40.404 38.460 -0.068 0.000 1.201 186 Y HN 0.607 nan 8.280 nan 0.000 0.458 187 S N 1.327 117.080 115.700 0.088 0.000 2.563 187 S HA 0.190 4.660 4.470 -0.000 0.000 0.284 187 S C 0.982 175.632 174.600 0.083 0.000 1.331 187 S CA 0.283 58.524 58.200 0.069 0.000 1.047 187 S CB 0.165 63.384 63.200 0.031 0.000 0.859 187 S HN 0.989 nan 8.310 nan 0.000 0.514 188 G N 2.609 111.449 108.800 0.067 0.000 3.651 188 G HA2 0.257 4.217 3.960 -0.000 0.000 0.279 188 G HA3 0.257 4.217 3.960 -0.000 0.000 0.279 188 G C -0.637 174.287 174.900 0.041 0.000 1.024 188 G CA -0.316 44.813 45.100 0.050 0.000 0.813 188 G HN 0.649 nan 8.290 nan 0.000 0.518 189 D N 0.355 120.771 120.400 0.027 0.000 2.505 189 D HA 0.172 4.812 4.640 -0.000 0.000 0.250 189 D C 0.017 176.326 176.300 0.013 0.000 1.164 189 D CA -0.493 53.504 54.000 -0.005 0.000 0.870 189 D CB 2.026 42.814 40.800 -0.019 0.000 1.160 189 D HN -0.146 nan 8.370 nan 0.000 0.549 190 D N 2.250 122.668 120.400 0.031 0.000 2.116 190 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 190 D C 1.928 178.256 176.300 0.046 0.000 0.998 190 D CA 1.157 55.191 54.000 0.057 0.000 0.836 190 D CB 0.265 41.125 40.800 0.100 0.000 0.951 190 D HN 0.591 nan 8.370 nan 0.000 0.449 191 G N 0.454 109.273 108.800 0.033 0.000 2.443 191 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 191 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 191 G C 1.623 176.580 174.900 0.096 0.000 1.131 191 G CA 0.042 45.166 45.100 0.040 0.000 0.775 191 G HN 0.266 nan 8.290 nan 0.000 0.547 192 L N 1.144 122.396 121.223 0.049 0.000 2.612 192 L HA 0.071 4.411 4.340 -0.000 0.000 0.230 192 L C 2.601 179.465 176.870 -0.009 0.000 1.140 192 L CA 0.050 54.906 54.840 0.026 0.000 0.896 192 L CB -0.354 41.708 42.059 0.005 0.000 1.065 192 L HN 0.092 nan 8.230 nan 0.000 0.447 193 T N 0.630 115.189 114.554 0.008 0.000 2.635 193 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 193 T C 1.851 176.467 174.700 -0.139 0.000 1.040 193 T CA 1.679 63.758 62.100 -0.035 0.000 1.156 193 T CB -0.145 68.723 68.868 -0.000 0.000 0.863 193 T HN 0.188 nan 8.240 nan 0.000 0.430 194 L N 1.743 122.865 121.223 -0.168 0.000 2.044 194 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 194 L C -0.650 175.948 176.870 -0.452 0.000 1.075 194 L CA 1.403 55.995 54.840 -0.413 0.000 0.747 194 L CB -0.972 40.852 42.059 -0.391 0.000 0.903 194 L HN 0.149 nan 8.230 nan 0.000 0.435 195 P HA -0.141 nan 4.420 nan 0.000 0.218 195 P C 1.257 178.465 177.300 -0.153 0.000 1.149 195 P CA 1.813 64.789 63.100 -0.208 0.000 0.817 195 P CB -0.059 31.558 31.700 -0.137 0.000 0.785 196 A N -0.101 122.636 122.820 -0.138 0.000 1.873 196 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 196 A C 2.376 179.896 177.584 -0.107 0.000 1.186 196 A CA 1.622 53.603 52.037 -0.094 0.000 0.616 196 A CB -1.361 17.598 19.000 -0.068 0.000 0.823 196 A HN 0.072 nan 8.150 nan 0.000 0.442 197 M N -0.585 118.906 119.600 -0.182 0.000 2.229 197 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 197 M C 2.478 178.748 176.300 -0.050 0.000 1.063 197 M CA 1.012 56.221 55.300 -0.152 0.000 1.114 197 M CB -0.386 32.066 32.600 -0.247 0.000 1.387 197 M HN 0.502 nan 8.290 nan 0.000 0.420 198 A N 0.325 123.050 122.820 -0.158 0.000 1.927 198 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 198 A C 1.976 179.608 177.584 0.081 0.000 1.185 198 A CA 2.212 54.307 52.037 0.097 0.000 0.639 198 A CB -1.098 17.889 19.000 -0.022 0.000 0.820 198 A HN 0.487 nan 8.150 nan 0.000 0.451 199 V N -4.621 115.300 119.914 0.013 0.000 3.647 199 V HA 0.582 4.702 4.120 -0.000 0.000 0.279 199 V C 1.216 177.321 176.094 0.019 0.000 1.314 199 V CA 0.967 63.276 62.300 0.014 0.000 1.125 199 V CB -0.441 31.380 31.823 -0.003 0.000 0.907 199 V HN 1.517 nan 8.190 nan 0.000 0.434 200 G N -0.502 108.312 108.800 0.022 0.000 2.205 200 G HA2 0.046 4.006 3.960 -0.000 0.000 0.180 200 G HA3 0.046 4.006 3.960 -0.000 0.000 0.180 200 G C 0.428 175.312 174.900 -0.028 0.000 1.004 200 G CA -0.025 45.083 45.100 0.013 0.000 0.670 200 G HN 1.510 nan 8.290 nan 0.000 0.496 201 A N 0.419 123.208 122.820 -0.052 0.000 2.561 201 A HA 0.536 4.856 4.320 -0.000 0.000 0.234 201 A C 1.318 178.792 177.584 -0.184 0.000 1.055 201 A CA 1.547 53.514 52.037 -0.117 0.000 0.756 201 A CB 0.330 19.266 19.000 -0.107 0.000 0.986 201 A HN 0.631 nan 8.150 nan 0.000 0.505 202 K N 1.066 121.252 120.400 -0.355 0.000 2.366 202 K HA 0.246 4.566 4.320 -0.000 0.000 0.198 202 K C 0.849 177.161 176.600 -0.479 0.000 1.044 202 K CA 1.162 57.179 56.287 -0.449 0.000 0.973 202 K CB -0.075 32.039 32.500 -0.643 0.000 0.767 202 K HN 1.144 nan 8.250 nan 0.000 0.475 203 G N -0.009 108.502 108.800 -0.482 0.000 2.404 203 G HA2 0.218 4.178 3.960 -0.000 0.000 0.253 203 G HA3 0.218 4.178 3.960 -0.000 0.000 0.253 203 G C -2.068 172.868 174.900 0.060 0.000 1.253 203 G CA -0.450 44.555 45.100 -0.158 0.000 0.917 203 G HN 0.092 nan 8.290 nan 0.000 0.480 204 I N 0.063 120.782 120.570 0.248 0.000 2.647 204 I HA 0.684 4.853 4.170 -0.000 0.000 0.295 204 I C -0.658 175.551 176.117 0.153 0.000 1.078 204 I CA -1.093 60.322 61.300 0.192 0.000 1.048 204 I CB 2.316 40.365 38.000 0.081 0.000 1.239 204 I HN 0.481 nan 8.210 nan 0.000 0.421 205 V N 6.384 126.324 119.914 0.044 0.000 2.320 205 V HA 0.480 4.600 4.120 -0.000 0.000 0.265 205 V C 0.278 176.347 176.094 -0.043 0.000 1.048 205 V CA -0.304 61.939 62.300 -0.096 0.000 0.865 205 V CB 0.278 31.961 31.823 -0.234 0.000 1.043 205 V HN 0.765 nan 8.190 nan 0.000 0.474 206 S N 3.395 119.081 115.700 -0.023 0.000 2.608 206 S HA 0.632 5.102 4.470 -0.000 0.000 0.291 206 S C 0.577 175.220 174.600 0.072 0.000 1.146 206 S CA -0.494 57.726 58.200 0.032 0.000 1.043 206 S CB 2.095 65.308 63.200 0.021 0.000 1.037 206 S HN 0.328 nan 8.310 nan 0.000 0.520 207 V N 3.185 123.194 119.914 0.159 0.000 2.911 207 V HA 0.216 4.336 4.120 -0.000 0.000 0.237 207 V C 2.474 178.733 176.094 0.274 0.000 1.156 207 V CA 1.056 63.512 62.300 0.260 0.000 1.180 207 V CB -0.865 31.106 31.823 0.247 0.000 0.932 207 V HN 0.949 nan 8.190 nan 0.000 0.483 208 A N 1.229 124.153 122.820 0.174 0.000 2.084 208 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 208 A C 2.357 180.003 177.584 0.103 0.000 1.161 208 A CA 2.091 54.203 52.037 0.126 0.000 0.653 208 A CB -0.656 18.407 19.000 0.105 0.000 0.802 208 A HN 0.710 nan 8.150 nan 0.000 0.457 209 S N -0.884 114.852 115.700 0.060 0.000 2.469 209 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 209 S C 1.660 176.253 174.600 -0.012 0.000 0.998 209 S CA 0.994 59.192 58.200 -0.003 0.000 0.957 209 S CB -0.913 62.251 63.200 -0.061 0.000 0.764 209 S HN 0.715 nan 8.310 nan 0.000 0.514 210 H N 1.304 120.411 119.070 0.061 0.000 2.353 210 H HA -0.060 4.496 4.556 -0.000 0.000 0.298 210 H C 2.305 177.728 175.328 0.160 0.000 1.103 210 H CA 2.145 58.254 56.048 0.102 0.000 1.293 210 H CB -0.099 29.679 29.762 0.027 0.000 1.372 210 H HN 0.616 nan 8.280 nan 0.000 0.501 211 V N -1.197 118.843 119.914 0.209 0.000 3.612 211 V HA 0.165 4.285 4.120 -0.000 0.000 0.268 211 V C 1.240 177.406 176.094 0.119 0.000 1.365 211 V CA 0.355 62.753 62.300 0.163 0.000 1.044 211 V CB 0.045 31.923 31.823 0.090 0.000 0.820 211 V HN 0.318 nan 8.190 nan 0.000 0.444 212 I N -1.979 118.641 120.570 0.084 0.000 3.007 212 I HA 0.709 4.879 4.170 -0.000 0.000 0.333 212 I C 1.367 177.500 176.117 0.026 0.000 1.489 212 I CA 0.069 61.399 61.300 0.050 0.000 0.906 212 I CB 0.375 38.400 38.000 0.042 0.000 1.702 212 I HN -0.051 nan 8.210 nan 0.000 0.548 213 G N 1.895 110.698 108.800 0.005 0.000 2.421 213 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 213 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 213 G C 1.232 176.114 174.900 -0.029 0.000 1.171 213 G CA 1.009 46.091 45.100 -0.030 0.000 0.775 213 G HN 0.434 nan 8.290 nan 0.000 0.543 214 N N 0.910 119.588 118.700 -0.037 0.000 2.120 214 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 214 N C 2.188 177.696 175.510 -0.002 0.000 1.024 214 N CA 1.334 54.368 53.050 -0.027 0.000 0.852 214 N CB -0.342 38.127 38.487 -0.030 0.000 1.003 214 N HN 0.363 nan 8.380 nan 0.000 0.424 215 E N 0.471 120.676 120.200 0.008 0.000 2.110 215 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 215 E C 2.022 178.639 176.600 0.028 0.000 0.988 215 E CA 0.926 57.338 56.400 0.020 0.000 0.804 215 E CB -0.132 29.583 29.700 0.024 0.000 0.745 215 E HN 0.380 nan 8.360 nan 0.000 0.458 216 M N 0.016 119.631 119.600 0.025 0.000 2.132 216 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 216 M C 2.507 178.828 176.300 0.034 0.000 1.065 216 M CA 1.379 56.698 55.300 0.033 0.000 1.122 216 M CB -0.197 32.420 32.600 0.028 0.000 1.365 216 M HN 0.114 nan 8.290 nan 0.000 0.411 217 Q N 0.729 120.541 119.800 0.021 0.000 2.096 217 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 217 Q C 1.841 177.859 176.000 0.031 0.000 0.982 217 Q CA 2.002 57.818 55.803 0.021 0.000 0.850 217 Q CB 0.006 28.745 28.738 0.002 0.000 0.901 217 Q HN 0.371 nan 8.270 nan 0.000 0.422 218 E N 0.538 120.755 120.200 0.028 0.000 2.051 218 E HA -0.208 4.141 4.350 -0.000 0.000 0.192 218 E C 1.958 178.591 176.600 0.056 0.000 0.991 218 E CA 1.650 58.071 56.400 0.034 0.000 0.799 218 E CB -0.351 29.364 29.700 0.026 0.000 0.748 218 E HN 0.465 nan 8.360 nan 0.000 0.449 219 M N -0.186 119.454 119.600 0.066 0.000 2.108 219 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 219 M C 1.912 178.291 176.300 0.132 0.000 1.066 219 M CA 1.667 57.025 55.300 0.097 0.000 1.107 219 M CB -0.142 32.513 32.600 0.091 0.000 1.356 219 M HN 0.214 nan 8.290 nan 0.000 0.406 220 I N 0.083 120.719 120.570 0.109 0.000 2.353 220 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 220 I C 2.636 178.850 176.117 0.162 0.000 1.119 220 I CA 1.007 62.393 61.300 0.143 0.000 1.417 220 I CB -0.645 37.408 38.000 0.088 0.000 1.078 220 I HN 0.370 nan 8.210 nan 0.000 0.421 221 A N 0.941 123.818 122.820 0.094 0.000 1.877 221 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 221 A C 2.578 180.188 177.584 0.044 0.000 1.186 221 A CA 1.781 53.852 52.037 0.056 0.000 0.620 221 A CB -0.835 18.182 19.000 0.028 0.000 0.822 221 A HN 0.407 nan 8.150 nan 0.000 0.443 222 A N -0.863 121.993 122.820 0.061 0.000 1.873 222 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 222 A C 2.112 179.717 177.584 0.034 0.000 1.193 222 A CA 1.839 53.898 52.037 0.036 0.000 0.629 222 A CB -0.841 18.199 19.000 0.066 0.000 0.826 222 A HN 0.817 nan 8.150 nan 0.000 0.447 223 F N 0.610 120.572 119.950 0.021 0.000 2.113 223 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 223 F C 2.444 178.275 175.800 0.052 0.000 1.103 223 F CA 2.173 60.226 58.000 0.089 0.000 1.248 223 F CB -0.423 38.656 39.000 0.133 0.000 0.999 223 F HN 0.307 nan 8.300 nan 0.000 0.475 224 Q N 0.020 119.814 119.800 -0.010 0.000 2.291 224 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 224 Q C 2.251 178.135 176.000 -0.192 0.000 0.976 224 Q CA 1.090 56.822 55.803 -0.119 0.000 0.875 224 Q CB -0.352 28.411 28.738 0.042 0.000 0.927 224 Q HN 0.574 nan 8.270 nan 0.000 0.450 225 A N -0.141 122.568 122.820 -0.186 0.000 2.072 225 A HA 0.246 4.566 4.320 -0.000 0.000 0.216 225 A C 1.549 178.931 177.584 -0.336 0.000 1.156 225 A CA 1.015 52.930 52.037 -0.203 0.000 0.701 225 A CB 0.024 18.938 19.000 -0.143 0.000 0.816 225 A HN 0.438 nan 8.150 nan 0.000 0.458 226 G N -1.136 107.326 108.800 -0.564 0.000 2.138 226 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.193 226 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.193 226 G C -0.157 174.041 174.900 -1.169 0.000 0.998 226 G CA 0.208 44.684 45.100 -1.040 0.000 0.668 226 G HN 0.334 nan 8.290 nan 0.000 0.516 227 E N 0.681 120.468 120.200 -0.688 0.000 2.136 227 E HA 0.471 4.821 4.350 -0.000 0.000 0.246 227 E C 0.794 177.269 176.600 -0.209 0.000 1.017 227 E CA -0.868 55.306 56.400 -0.376 0.000 0.883 227 E CB -0.344 29.251 29.700 -0.174 0.000 1.199 227 E HN 0.219 nan 8.360 nan 0.000 0.447 228 F N 1.609 121.570 119.950 0.017 0.000 2.407 228 F HA -0.005 4.523 4.527 0.000 0.000 0.299 228 F C 2.082 177.915 175.800 0.055 0.000 1.097 228 F CA 0.496 58.528 58.000 0.054 0.000 1.422 228 F CB -0.186 38.838 39.000 0.041 0.000 1.067 228 F HN 0.236 nan 8.300 nan 0.000 0.539 229 K N 0.823 121.324 120.400 0.168 0.000 1.985 229 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 229 K C 2.180 178.843 176.600 0.105 0.000 1.047 229 K CA 1.571 57.928 56.287 0.116 0.000 0.932 229 K CB -0.239 32.302 32.500 0.067 0.000 0.716 229 K HN 0.066 nan 8.250 nan 0.000 0.439 230 K N -0.190 120.258 120.400 0.080 0.000 2.155 230 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 230 K C 1.942 178.606 176.600 0.107 0.000 1.052 230 K CA 1.003 57.334 56.287 0.073 0.000 0.948 230 K CB -0.048 32.478 32.500 0.043 0.000 0.728 230 K HN 0.174 nan 8.250 nan 0.000 0.448 231 A N 1.305 124.214 122.820 0.150 0.000 1.851 231 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 231 A C 2.042 179.744 177.584 0.197 0.000 1.195 231 A CA 1.774 53.934 52.037 0.205 0.000 0.622 231 A CB -0.728 18.479 19.000 0.345 0.000 0.831 231 A HN 0.471 nan 8.150 nan 0.000 0.444 232 Q N -0.745 119.171 119.800 0.194 0.000 2.135 232 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 232 Q C 2.181 178.284 176.000 0.172 0.000 0.981 232 Q CA 1.931 57.843 55.803 0.182 0.000 0.856 232 Q CB -0.193 28.630 28.738 0.142 0.000 0.902 232 Q HN 0.755 nan 8.270 nan 0.000 0.425 233 K N 0.760 121.235 120.400 0.125 0.000 2.057 233 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 233 K C 1.847 178.495 176.600 0.080 0.000 1.049 233 K CA 1.016 57.356 56.287 0.088 0.000 0.931 233 K CB -0.018 32.522 32.500 0.068 0.000 0.714 233 K HN 0.151 nan 8.250 nan 0.000 0.440 234 L N -0.052 121.227 121.223 0.094 0.000 2.109 234 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 234 L C 2.581 179.500 176.870 0.082 0.000 1.086 234 L CA 1.312 56.198 54.840 0.077 0.000 0.760 234 L CB -0.565 41.540 42.059 0.077 0.000 0.910 234 L HN 0.395 nan 8.230 nan 0.000 0.437 235 H N 0.206 119.297 119.070 0.035 0.000 2.390 235 H HA -0.231 4.325 4.556 -0.000 0.000 0.298 235 H C 2.253 177.593 175.328 0.019 0.000 1.106 235 H CA 1.958 58.017 56.048 0.020 0.000 1.297 235 H CB 0.089 29.860 29.762 0.015 0.000 1.375 235 H HN 0.310 nan 8.280 nan 0.000 0.509 236 Q N -0.763 118.960 119.800 -0.128 0.000 2.123 236 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 236 Q C 2.332 178.269 176.000 -0.105 0.000 0.966 236 Q CA 1.072 56.784 55.803 -0.153 0.000 0.845 236 Q CB -0.035 28.694 28.738 -0.015 0.000 0.907 236 Q HN 0.467 nan 8.270 nan 0.000 0.439 237 L N 0.420 121.614 121.223 -0.048 0.000 2.017 237 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 237 L C 1.970 178.815 176.870 -0.041 0.000 1.073 237 L CA 1.490 56.314 54.840 -0.028 0.000 0.745 237 L CB -0.501 41.558 42.059 0.000 0.000 0.894 237 L HN 0.266 nan 8.230 nan 0.000 0.432 238 L N -1.235 119.954 121.223 -0.055 0.000 1.990 238 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 238 L C 2.455 179.288 176.870 -0.061 0.000 1.072 238 L CA 2.030 56.845 54.840 -0.042 0.000 0.755 238 L CB -0.326 41.714 42.059 -0.032 0.000 0.889 238 L HN 0.184 nan 8.230 nan 0.000 0.432 239 V N -0.377 119.441 119.914 -0.161 0.000 2.343 239 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 239 V C 2.671 178.732 176.094 -0.054 0.000 1.051 239 V CA 1.888 64.106 62.300 -0.135 0.000 1.036 239 V CB -0.722 30.951 31.823 -0.249 0.000 0.654 239 V HN 0.455 nan 8.190 nan 0.000 0.451 240 R N -0.445 120.023 120.500 -0.054 0.000 2.081 240 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 240 R C 2.221 178.525 176.300 0.007 0.000 1.131 240 R CA 1.651 57.740 56.100 -0.018 0.000 0.960 240 R CB -0.298 29.991 30.300 -0.019 0.000 0.856 240 R HN 0.433 nan 8.270 nan 0.000 0.436 241 V N 0.037 119.956 119.914 0.008 0.000 2.244 241 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 241 V C 2.229 178.353 176.094 0.051 0.000 1.042 241 V CA 2.242 64.556 62.300 0.022 0.000 1.006 241 V CB -0.707 31.129 31.823 0.022 0.000 0.641 241 V HN 0.424 nan 8.190 nan 0.000 0.446 242 T N 0.075 114.676 114.554 0.079 0.000 2.624 242 T HA -0.322 4.028 4.350 -0.000 0.000 0.266 242 T C 1.589 176.439 174.700 0.250 0.000 1.050 242 T CA 2.217 64.423 62.100 0.176 0.000 1.163 242 T CB -0.562 68.394 68.868 0.145 0.000 0.861 242 T HN 0.480 nan 8.240 nan 0.000 0.443 243 D N 0.903 121.389 120.400 0.144 0.000 2.149 243 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 243 D C 2.412 178.786 176.300 0.123 0.000 0.990 243 D CA 1.552 55.633 54.000 0.137 0.000 0.839 243 D CB -0.495 40.343 40.800 0.064 0.000 0.948 243 D HN 0.565 nan 8.370 nan 0.000 0.460 244 S N -0.567 115.172 115.700 0.066 0.000 2.515 244 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 244 S C 1.464 176.051 174.600 -0.022 0.000 0.987 244 S CA 0.273 58.487 58.200 0.022 0.000 0.936 244 S CB -0.010 63.191 63.200 0.003 0.000 0.766 244 S HN 0.054 nan 8.310 nan 0.000 0.528 245 L N -0.254 120.938 121.223 -0.051 0.000 2.607 245 L HA 0.521 4.861 4.340 -0.000 0.000 0.228 245 L C -0.031 176.487 176.870 -0.588 0.000 1.123 245 L CA 0.382 55.041 54.840 -0.301 0.000 0.890 245 L CB -0.670 41.168 42.059 -0.369 0.000 1.103 245 L HN 0.323 nan 8.230 nan 0.000 0.468 246 F N -2.261 117.686 119.950 -0.005 0.000 2.815 246 F HA 0.197 4.724 4.527 0.000 0.000 0.323 246 F C 1.526 177.325 175.800 -0.003 0.000 1.151 246 F CA -0.037 57.962 58.000 -0.002 0.000 1.191 246 F CB 0.211 39.214 39.000 0.004 0.000 1.069 246 F HN -0.086 nan 8.300 nan 0.000 0.514 247 M N -0.023 119.634 119.600 0.094 0.000 2.506 247 M HA 0.322 4.802 4.480 -0.000 0.000 0.260 247 M C 0.902 177.225 176.300 0.039 0.000 1.104 247 M CA 0.356 55.693 55.300 0.062 0.000 1.112 247 M CB -0.740 31.878 32.600 0.031 0.000 1.401 247 M HN 0.056 nan 8.290 nan 0.000 0.473 248 A N 0.356 123.186 122.820 0.018 0.000 2.423 248 A HA 0.746 5.066 4.320 -0.000 0.000 0.304 248 A C -2.504 175.090 177.584 0.016 0.000 1.104 248 A CA -1.453 50.588 52.037 0.007 0.000 0.757 248 A CB 0.387 19.375 19.000 -0.021 0.000 1.313 248 A HN 0.034 nan 8.150 nan 0.000 0.423 249 P HA 0.139 nan 4.420 nan 0.000 0.265 249 P C -0.156 177.143 177.300 -0.002 0.000 1.193 249 P CA 0.259 63.382 63.100 0.038 0.000 0.765 249 P CB 0.719 32.434 31.700 0.025 0.000 0.823 250 S N 3.366 119.080 115.700 0.024 0.000 2.545 250 S HA 0.366 4.836 4.470 -0.000 0.000 0.275 250 S C -1.799 172.786 174.600 -0.025 0.000 1.299 250 S CA -1.110 57.053 58.200 -0.061 0.000 1.048 250 S CB -0.132 63.043 63.200 -0.041 0.000 0.938 250 S HN 0.343 nan 8.310 nan 0.000 0.496 251 P HA 0.271 nan 4.420 nan 0.000 0.306 251 P C 0.564 177.764 177.300 -0.167 0.000 1.678 251 P CA -0.262 62.749 63.100 -0.148 0.000 1.350 251 P CB 0.395 32.007 31.700 -0.147 0.000 1.627 252 T N 1.236 115.716 114.554 -0.123 0.000 2.746 252 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 252 T C -0.767 173.855 174.700 -0.130 0.000 1.039 252 T CA 1.865 63.904 62.100 -0.102 0.000 1.142 252 T CB -1.623 67.205 68.868 -0.065 0.000 0.866 252 T HN 0.218 nan 8.240 nan 0.000 0.444 253 P HA -0.041 nan 4.420 nan 0.000 0.215 253 P C 1.818 179.004 177.300 -0.190 0.000 1.157 253 P CA 0.484 63.481 63.100 -0.173 0.000 0.868 253 P CB -0.220 31.348 31.700 -0.220 0.000 0.788 254 V N -0.163 119.600 119.914 -0.252 0.000 2.548 254 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 254 V C 2.047 177.995 176.094 -0.243 0.000 1.055 254 V CA 1.740 63.888 62.300 -0.254 0.000 1.065 254 V CB -0.875 30.746 31.823 -0.336 0.000 0.681 254 V HN 0.020 nan 8.190 nan 0.000 0.462 255 K N -0.388 119.867 120.400 -0.242 0.000 2.074 255 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 255 K C 2.066 178.581 176.600 -0.141 0.000 1.048 255 K CA 2.107 58.276 56.287 -0.196 0.000 0.926 255 K CB -0.452 31.945 32.500 -0.172 0.000 0.713 255 K HN 0.522 nan 8.250 nan 0.000 0.444 256 T N 0.835 115.316 114.554 -0.122 0.000 2.770 256 T HA -0.086 4.264 4.350 -0.000 0.000 0.263 256 T C 1.999 176.648 174.700 -0.085 0.000 1.039 256 T CA 1.172 63.217 62.100 -0.091 0.000 1.142 256 T CB -0.248 68.573 68.868 -0.079 0.000 0.868 256 T HN 0.315 nan 8.240 nan 0.000 0.435 257 A N 1.488 124.253 122.820 -0.092 0.000 1.892 257 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 257 A C 2.294 179.833 177.584 -0.075 0.000 1.188 257 A CA 1.448 53.441 52.037 -0.074 0.000 0.631 257 A CB -1.048 17.908 19.000 -0.074 0.000 0.822 257 A HN 0.475 nan 8.150 nan 0.000 0.447 258 L N -0.765 120.398 121.223 -0.099 0.000 2.131 258 L HA -0.230 4.109 4.340 -0.000 0.000 0.210 258 L C 2.925 179.725 176.870 -0.116 0.000 1.092 258 L CA 1.676 56.447 54.840 -0.115 0.000 0.759 258 L CB -0.357 41.621 42.059 -0.134 0.000 0.903 258 L HN 0.583 nan 8.230 nan 0.000 0.435 259 Q N 0.039 119.781 119.800 -0.096 0.000 2.123 259 Q HA -0.180 4.160 4.340 -0.000 0.000 0.199 259 Q C 2.231 178.192 176.000 -0.064 0.000 0.966 259 Q CA 1.388 57.143 55.803 -0.080 0.000 0.845 259 Q CB 0.015 28.712 28.738 -0.069 0.000 0.907 259 Q HN 0.493 nan 8.270 nan 0.000 0.439 260 M N 0.328 119.894 119.600 -0.057 0.000 2.159 260 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 260 M C 2.064 178.341 176.300 -0.038 0.000 1.063 260 M CA 1.488 56.763 55.300 -0.042 0.000 1.110 260 M CB -0.052 32.526 32.600 -0.036 0.000 1.374 260 M HN 0.188 nan 8.290 nan 0.000 0.411 261 V N -3.079 116.807 119.914 -0.046 0.000 3.649 261 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 261 V C 0.937 176.994 176.094 -0.061 0.000 1.281 261 V CA 0.715 62.992 62.300 -0.039 0.000 1.143 261 V CB -0.518 31.292 31.823 -0.022 0.000 0.892 261 V HN 0.641 nan 8.190 nan 0.000 0.441 262 G N 0.177 108.930 108.800 -0.078 0.000 2.159 262 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.170 262 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.170 262 G C -0.340 174.492 174.900 -0.114 0.000 1.007 262 G CA 0.049 45.102 45.100 -0.080 0.000 0.672 262 G HN 0.615 nan 8.290 nan 0.000 0.507 263 L N 1.971 123.104 121.223 -0.150 0.000 2.442 263 L HA 0.399 4.739 4.340 -0.000 0.000 0.261 263 L C -0.966 175.827 176.870 -0.128 0.000 1.000 263 L CA -0.721 54.021 54.840 -0.163 0.000 0.882 263 L CB 1.126 43.017 42.059 -0.281 0.000 1.207 263 L HN 0.181 nan 8.230 nan 0.000 0.443 264 D N 3.139 123.484 120.400 -0.091 0.000 2.351 264 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 264 D C 0.402 176.652 176.300 -0.083 0.000 1.137 264 D CA -0.046 53.907 54.000 -0.078 0.000 0.879 264 D CB 1.892 42.658 40.800 -0.055 0.000 1.181 264 D HN 0.364 nan 8.370 nan 0.000 0.448 265 V N 1.321 121.177 119.914 -0.096 0.000 2.909 265 V HA 0.512 4.632 4.120 -0.000 0.000 0.362 265 V C 0.869 176.898 176.094 -0.109 0.000 1.356 265 V CA 0.279 62.510 62.300 -0.116 0.000 1.195 265 V CB -0.140 31.591 31.823 -0.153 0.000 1.256 265 V HN 0.794 nan 8.190 nan 0.000 0.567 266 G N 0.986 109.750 108.800 -0.059 0.000 2.601 266 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.252 266 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.252 266 G C 0.040 174.935 174.900 -0.008 0.000 1.294 266 G CA 0.322 45.414 45.100 -0.014 0.000 0.912 266 G HN 1.084 nan 8.290 nan 0.000 0.574 267 S N -2.244 113.489 115.700 0.055 0.000 2.589 267 S HA 0.828 5.298 4.470 -0.000 0.000 0.272 267 S C 0.513 175.205 174.600 0.153 0.000 1.096 267 S CA 0.672 58.905 58.200 0.055 0.000 0.985 267 S CB 0.858 64.082 63.200 0.041 0.000 1.278 267 S HN 2.059 nan 8.310 nan 0.000 0.528 268 V N -0.517 119.479 119.914 0.137 0.000 3.113 268 V HA 0.746 4.866 4.120 -0.000 0.000 0.316 268 V C -1.035 175.114 176.094 0.092 0.000 1.125 268 V CA -1.158 61.261 62.300 0.198 0.000 1.026 268 V CB 1.335 33.207 31.823 0.082 0.000 1.080 268 V HN 0.816 nan 8.190 nan 0.000 0.444 269 R N 1.027 121.554 120.500 0.045 0.000 2.540 269 R HA 0.662 5.002 4.340 -0.000 0.000 0.287 269 R C -0.824 175.451 176.300 -0.042 0.000 0.980 269 R CA -0.816 55.235 56.100 -0.082 0.000 0.966 269 R CB 1.452 31.629 30.300 -0.205 0.000 1.106 269 R HN 0.667 nan 8.270 nan 0.000 0.480 270 L N 3.848 125.038 121.223 -0.055 0.000 2.540 270 L HA 0.043 4.383 4.340 -0.000 0.000 0.276 270 L C -1.179 175.666 176.870 -0.042 0.000 1.212 270 L CA -0.706 54.109 54.840 -0.042 0.000 0.893 270 L CB 0.248 42.281 42.059 -0.044 0.000 1.138 270 L HN 0.511 nan 8.230 nan 0.000 0.491 271 P HA 0.188 nan 4.420 nan 0.000 0.266 271 P C -0.053 177.233 177.300 -0.022 0.000 1.381 271 P CA 0.061 63.143 63.100 -0.030 0.000 0.940 271 P CB 0.440 32.120 31.700 -0.034 0.000 1.435 272 L N 0.493 121.706 121.223 -0.016 0.000 2.418 272 L HA 0.381 4.721 4.340 -0.000 0.000 0.265 272 L C 0.505 177.369 176.870 -0.010 0.000 1.143 272 L CA -0.586 54.248 54.840 -0.009 0.000 0.809 272 L CB 0.798 42.858 42.059 0.002 0.000 1.124 272 L HN -0.122 nan 8.230 nan 0.000 0.456 273 L N 2.191 123.408 121.223 -0.011 0.000 2.354 273 L HA 0.509 4.849 4.340 -0.000 0.000 0.264 273 L C -2.251 174.610 176.870 -0.014 0.000 1.008 273 L CA -2.054 52.778 54.840 -0.013 0.000 0.819 273 L CB 2.203 44.254 42.059 -0.013 0.000 1.339 273 L HN 0.338 nan 8.230 nan 0.000 0.420 274 P HA -0.000 nan 4.420 nan 0.000 0.266 274 P C -0.615 176.671 177.300 -0.022 0.000 1.193 274 P CA -0.371 62.717 63.100 -0.019 0.000 0.770 274 P CB 0.281 31.971 31.700 -0.016 0.000 0.836 275 L N 2.138 123.344 121.223 -0.028 0.000 2.485 275 L HA 0.081 4.421 4.340 -0.000 0.000 0.275 275 L C 1.150 178.007 176.870 -0.021 0.000 1.207 275 L CA 0.730 55.553 54.840 -0.027 0.000 0.855 275 L CB -0.679 41.359 42.059 -0.035 0.000 1.114 275 L HN 0.463 nan 8.230 nan 0.000 0.485 276 T N -0.699 113.845 114.554 -0.017 0.000 2.916 276 T HA 0.063 4.413 4.350 -0.000 0.000 0.303 276 T C 1.153 175.844 174.700 -0.015 0.000 1.025 276 T CA -0.306 61.785 62.100 -0.014 0.000 1.142 276 T CB 0.574 69.435 68.868 -0.011 0.000 0.947 276 T HN 0.637 nan 8.240 nan 0.000 0.544 277 E N 1.212 121.404 120.200 -0.014 0.000 2.277 277 E HA -0.331 4.019 4.350 -0.000 0.000 0.216 277 E C 1.778 178.370 176.600 -0.013 0.000 1.068 277 E CA 2.279 58.671 56.400 -0.013 0.000 0.866 277 E CB -0.319 29.374 29.700 -0.011 0.000 0.749 277 E HN 0.849 nan 8.360 nan 0.000 0.465 278 E N 0.243 120.437 120.200 -0.011 0.000 2.072 278 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 278 E C 1.903 178.497 176.600 -0.011 0.000 0.982 278 E CA 1.382 57.777 56.400 -0.009 0.000 0.803 278 E CB -0.117 29.579 29.700 -0.007 0.000 0.755 278 E HN 0.533 nan 8.360 nan 0.000 0.453 279 E N 0.091 120.284 120.200 -0.013 0.000 2.110 279 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 279 E C 2.369 178.957 176.600 -0.020 0.000 0.988 279 E CA 0.499 56.890 56.400 -0.015 0.000 0.804 279 E CB 0.012 29.701 29.700 -0.018 0.000 0.745 279 E HN 0.113 nan 8.360 nan 0.000 0.458 280 R N 0.503 120.991 120.500 -0.021 0.000 2.082 280 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 280 R C 2.454 178.741 176.300 -0.020 0.000 1.136 280 R CA 1.301 57.387 56.100 -0.024 0.000 0.935 280 R CB -0.727 29.560 30.300 -0.023 0.000 0.842 280 R HN 0.100 nan 8.270 nan 0.000 0.430 281 V N 0.815 120.719 119.914 -0.016 0.000 2.252 281 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 281 V C 2.366 178.454 176.094 -0.011 0.000 1.056 281 V CA 2.438 64.730 62.300 -0.012 0.000 1.022 281 V CB -0.779 31.038 31.823 -0.010 0.000 0.641 281 V HN 0.501 nan 8.190 nan 0.000 0.445 282 T N 0.398 114.946 114.554 -0.011 0.000 2.635 282 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 282 T C 1.869 176.563 174.700 -0.011 0.000 1.040 282 T CA 2.124 64.219 62.100 -0.009 0.000 1.156 282 T CB -0.466 68.398 68.868 -0.007 0.000 0.863 282 T HN 0.343 nan 8.240 nan 0.000 0.430 283 L N 1.246 122.459 121.223 -0.017 0.000 2.046 283 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 283 L C 2.575 179.433 176.870 -0.020 0.000 1.077 283 L CA 1.884 56.711 54.840 -0.023 0.000 0.747 283 L CB -0.860 41.178 42.059 -0.036 0.000 0.896 283 L HN 0.142 nan 8.230 nan 0.000 0.432 284 Q N -0.236 119.552 119.800 -0.019 0.000 2.197 284 Q HA -0.219 4.121 4.340 -0.000 0.000 0.207 284 Q C 2.267 178.260 176.000 -0.011 0.000 0.984 284 Q CA 2.258 58.051 55.803 -0.017 0.000 0.869 284 Q CB -0.503 28.226 28.738 -0.016 0.000 0.906 284 Q HN 0.741 nan 8.270 nan 0.000 0.426 285 S N -2.085 113.610 115.700 -0.009 0.000 2.501 285 S HA 0.034 4.504 4.470 -0.000 0.000 0.220 285 S C 1.762 176.360 174.600 -0.003 0.000 0.997 285 S CA 0.544 58.741 58.200 -0.005 0.000 0.919 285 S CB -0.082 63.116 63.200 -0.004 0.000 0.778 285 S HN 0.190 nan 8.310 nan 0.000 0.523 286 V N 2.137 122.048 119.914 -0.005 0.000 2.379 286 V HA -0.063 4.056 4.120 -0.000 0.000 0.245 286 V C 2.700 178.794 176.094 -0.001 0.000 1.044 286 V CA 1.538 63.837 62.300 -0.002 0.000 1.036 286 V CB -0.673 31.148 31.823 -0.003 0.000 0.664 286 V HN 0.444 nan 8.190 nan 0.000 0.453 287 M N -0.321 119.276 119.600 -0.005 0.000 2.159 287 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 287 M C 2.177 178.478 176.300 0.002 0.000 1.063 287 M CA 1.639 56.938 55.300 -0.002 0.000 1.110 287 M CB -1.229 31.365 32.600 -0.009 0.000 1.374 287 M HN 0.418 nan 8.290 nan 0.000 0.411 288 Q N -0.363 119.437 119.800 -0.000 0.000 2.297 288 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 288 Q C 1.954 177.957 176.000 0.004 0.000 0.962 288 Q CA 1.478 57.282 55.803 0.002 0.000 0.879 288 Q CB -0.125 28.613 28.738 -0.000 0.000 0.947 288 Q HN 0.633 nan 8.270 nan 0.000 0.462 289 S N -0.144 115.559 115.700 0.004 0.000 2.555 289 S HA 0.009 4.479 4.470 -0.000 0.000 0.230 289 S C 0.723 175.328 174.600 0.008 0.000 0.978 289 S CA -0.097 58.106 58.200 0.005 0.000 0.934 289 S CB -0.199 63.004 63.200 0.004 0.000 0.766 289 S HN 0.175 nan 8.310 nan 0.000 0.533 290 I N 3.162 123.738 120.570 0.010 0.000 2.471 290 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 290 I C -2.342 173.784 176.117 0.014 0.000 1.079 290 I CA -2.465 58.843 61.300 0.014 0.000 1.398 290 I CB 0.701 38.712 38.000 0.018 0.000 1.403 290 I HN 0.022 nan 8.210 nan 0.000 0.530 291 P HA 0.128 nan 4.420 nan 0.000 0.263 291 P C -0.658 176.652 177.300 0.016 0.000 1.195 291 P CA -0.063 63.045 63.100 0.015 0.000 0.762 291 P CB 0.542 32.251 31.700 0.015 0.000 0.799 292 R N 0.000 120.509 120.500 0.015 0.000 2.786 292 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 292 R CA 0.000 56.110 56.100 0.016 0.000 0.921 292 R CB 0.000 30.309 30.300 0.016 0.000 0.687 292 R HN 0.000 nan 8.270 nan 0.000 0.535