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 3dc2_1_B DATA FIRST_RESID 4 DATA SEQUENCE LPVVLIADKL APSTVAALGD QVEVRWVDGP DRDKLLAAVP EADALLVRSA DATA SEQUENCE TTVDAEVLAA APKLKIVARA GVGLDNVDVD AATARGVLVV NAPTSNIHSA DATA SEQUENCE AEHALALLLA ASRQIPAADA SLREHTWKRS SFSGTEIFGK TVGVVGLGRI DATA SEQUENCE GQLVAQRIAA FGAYVVAYDP YVSPARAAQL GIELLSLDDL LARADFISVH DATA SEQUENCE LPKTPETAGL IDKEALAKTK PGVIIVNAAR GGLVDEAALA DAITGGHVRA DATA SEQUENCE AGLDVFATEP CTDSPLFELA QVVVTPHLGA STAEAQDRAG TDVAESVRLA DATA SEQUENCE LAGEFVPDAV NVGGGVVNEE VAPWLDLVRK LGVLAGVLSD ELPVSLSVQV DATA SEQUENCE RGELAAEEVE VLRLSALRGL FSAVIEXXXT FVNAPALAAE RGVTAEICKA DATA SEQUENCE SESPNHRSVV DVRAVGADGS VVTVSGTLYG PQLSQKIVQI NGRHFDLRAQ DATA SEQUENCE GINLIIHYVD RPGALGKIGT LLGTAGVNIQ AAQLSEDAEG PGATILLRLD DATA SEQUENCE QDVPDDVRTA IAAAVDAYKL EVVDLS 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.856 176.870 -0.023 0.000 1.165 4 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 4 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 5 P HA 0.269 nan 4.420 nan 0.000 0.281 5 P C -0.749 176.521 177.300 -0.050 0.000 1.252 5 P CA -0.363 62.716 63.100 -0.035 0.000 0.778 5 P CB 1.082 32.761 31.700 -0.035 0.000 0.895 6 V N 4.538 124.421 119.914 -0.053 0.000 2.334 6 V HA 0.105 4.226 4.120 0.001 0.000 0.267 6 V C 0.278 176.317 176.094 -0.091 0.000 1.040 6 V CA -0.538 61.720 62.300 -0.070 0.000 0.866 6 V CB 1.177 32.967 31.823 -0.054 0.000 1.019 6 V HN 0.275 nan 8.190 nan 0.000 0.468 7 V N 6.885 126.722 119.914 -0.127 0.000 2.353 7 V HA 0.272 4.393 4.120 0.001 0.000 0.264 7 V C 0.156 176.123 176.094 -0.212 0.000 1.049 7 V CA -0.246 61.962 62.300 -0.153 0.000 0.896 7 V CB 1.407 33.133 31.823 -0.163 0.000 1.025 7 V HN 0.642 nan 8.190 nan 0.000 0.475 8 L N 7.048 128.174 121.223 -0.163 0.000 2.255 8 L HA 0.513 4.853 4.340 0.001 0.000 0.289 8 L C -0.293 176.475 176.870 -0.170 0.000 1.046 8 L CA -0.324 54.416 54.840 -0.167 0.000 0.816 8 L CB 0.927 42.932 42.059 -0.090 0.000 1.197 8 L HN 0.543 nan 8.230 nan 0.000 0.427 9 I N 4.888 125.302 120.570 -0.260 0.000 2.352 9 I HA 0.130 4.301 4.170 0.001 0.000 0.290 9 I C 1.016 177.118 176.117 -0.025 0.000 1.036 9 I CA 0.082 61.282 61.300 -0.166 0.000 1.336 9 I CB 1.644 39.487 38.000 -0.262 0.000 1.407 9 I HN 0.709 nan 8.210 nan 0.000 0.497 10 A N 4.719 127.540 122.820 0.002 0.000 2.288 10 A HA 0.202 4.522 4.320 0.001 0.000 0.216 10 A C 0.499 178.114 177.584 0.052 0.000 1.199 10 A CA 0.230 52.287 52.037 0.033 0.000 0.891 10 A CB 0.072 19.079 19.000 0.012 0.000 0.923 10 A HN 0.635 nan 8.150 nan 0.000 0.500 11 D N -0.842 119.590 120.400 0.053 0.000 2.497 11 D HA 0.230 4.871 4.640 0.001 0.000 0.243 11 D C -0.729 175.618 176.300 0.079 0.000 1.039 11 D CA -0.556 53.476 54.000 0.054 0.000 1.052 11 D CB 1.046 41.863 40.800 0.028 0.000 1.344 11 D HN 0.067 nan 8.370 nan 0.000 0.553 12 K N 1.366 121.802 120.400 0.060 0.000 2.294 12 K HA 0.168 4.489 4.320 0.001 0.000 0.288 12 K C -0.598 176.034 176.600 0.054 0.000 1.072 12 K CA -0.168 56.156 56.287 0.061 0.000 0.960 12 K CB -0.136 32.385 32.500 0.034 0.000 1.043 12 K HN 0.143 nan 8.250 nan 0.000 0.455 13 L N 2.601 123.871 121.223 0.079 0.000 2.492 13 L HA 0.500 4.841 4.340 0.001 0.000 0.263 13 L C 0.010 176.916 176.870 0.059 0.000 1.062 13 L CA -0.460 54.415 54.840 0.059 0.000 0.817 13 L CB 0.933 43.026 42.059 0.056 0.000 1.441 13 L HN 0.604 nan 8.230 nan 0.000 0.493 14 A N 0.639 123.485 122.820 0.044 0.000 2.331 14 A HA 0.504 4.825 4.320 0.001 0.000 0.283 14 A C -1.776 175.840 177.584 0.053 0.000 1.142 14 A CA -1.089 50.971 52.037 0.038 0.000 0.812 14 A CB -0.133 18.881 19.000 0.023 0.000 1.074 14 A HN 0.623 nan 8.150 nan 0.000 0.497 15 P HA -0.175 nan 4.420 nan 0.000 0.223 15 P C 1.310 178.642 177.300 0.054 0.000 1.144 15 P CA 1.813 64.949 63.100 0.060 0.000 0.783 15 P CB -0.022 31.701 31.700 0.038 0.000 0.771 16 S N -1.601 114.122 115.700 0.038 0.000 2.436 16 S HA -0.090 4.381 4.470 0.001 0.000 0.228 16 S C 1.852 176.468 174.600 0.026 0.000 1.014 16 S CA 1.328 59.545 58.200 0.028 0.000 0.950 16 S CB -1.773 61.438 63.200 0.018 0.000 0.784 16 S HN 0.108 nan 8.310 nan 0.000 0.504 17 T N 2.718 117.289 114.554 0.029 0.000 2.607 17 T HA -0.146 4.205 4.350 0.001 0.000 0.267 17 T C 1.942 176.653 174.700 0.017 0.000 1.049 17 T CA 1.772 63.882 62.100 0.016 0.000 1.162 17 T CB -1.010 67.870 68.868 0.020 0.000 0.863 17 T HN 0.395 nan 8.240 nan 0.000 0.424 18 V N 1.528 121.474 119.914 0.054 0.000 2.358 18 V HA 0.006 4.126 4.120 0.001 0.000 0.246 18 V C 2.629 178.751 176.094 0.047 0.000 1.047 18 V CA 1.901 64.237 62.300 0.061 0.000 1.035 18 V CB -1.187 30.749 31.823 0.189 0.000 0.658 18 V HN 0.513 nan 8.190 nan 0.000 0.452 19 A N 0.202 123.053 122.820 0.052 0.000 1.940 19 A HA -0.036 4.284 4.320 0.001 0.000 0.219 19 A C 2.448 180.041 177.584 0.016 0.000 1.176 19 A CA 2.328 54.386 52.037 0.035 0.000 0.631 19 A CB -1.058 17.960 19.000 0.031 0.000 0.814 19 A HN 1.005 nan 8.150 nan 0.000 0.446 20 A N -1.021 121.804 122.820 0.009 0.000 1.968 20 A HA 0.126 4.446 4.320 0.001 0.000 0.217 20 A C 1.964 179.540 177.584 -0.013 0.000 1.169 20 A CA 1.331 53.366 52.037 -0.003 0.000 0.638 20 A CB -0.384 18.613 19.000 -0.006 0.000 0.812 20 A HN 0.371 nan 8.150 nan 0.000 0.446 21 L N -1.008 120.203 121.223 -0.019 0.000 1.994 21 L HA 0.115 4.455 4.340 0.001 0.000 0.208 21 L C 1.668 178.521 176.870 -0.029 0.000 1.071 21 L CA 1.780 56.598 54.840 -0.037 0.000 0.745 21 L CB -1.834 40.187 42.059 -0.065 0.000 0.892 21 L HN 0.736 nan 8.230 nan 0.000 0.431 22 G N -1.248 107.543 108.800 -0.015 0.000 2.698 22 G HA2 -0.274 3.687 3.960 0.001 0.000 0.225 22 G HA3 -0.274 3.687 3.960 0.001 0.000 0.225 22 G C 0.425 175.321 174.900 -0.007 0.000 1.345 22 G CA 0.035 45.132 45.100 -0.006 0.000 0.871 22 G HN 0.170 nan 8.290 nan 0.000 0.540 23 D N -0.040 120.359 120.400 -0.002 0.000 2.133 23 D HA -0.073 4.567 4.640 0.001 0.000 0.195 23 D C 2.336 178.632 176.300 -0.007 0.000 0.997 23 D CA 1.672 55.672 54.000 -0.000 0.000 0.840 23 D CB 0.058 40.858 40.800 0.002 0.000 0.947 23 D HN 0.396 nan 8.370 nan 0.000 0.452 24 Q N -0.071 119.722 119.800 -0.012 0.000 2.253 24 Q HA 0.168 4.509 4.340 0.001 0.000 0.210 24 Q C -0.280 175.707 176.000 -0.022 0.000 0.907 24 Q CA -0.039 55.756 55.803 -0.014 0.000 0.948 24 Q CB 0.778 29.509 28.738 -0.012 0.000 1.033 24 Q HN 0.094 nan 8.270 nan 0.000 0.471 25 V N -0.054 119.842 119.914 -0.029 0.000 3.147 25 V HA 0.263 4.383 4.120 0.001 0.000 0.306 25 V C -0.902 175.162 176.094 -0.051 0.000 1.209 25 V CA -0.954 61.320 62.300 -0.044 0.000 1.023 25 V CB 3.093 34.880 31.823 -0.059 0.000 1.059 25 V HN 0.049 nan 8.190 nan 0.000 0.435 26 E N 1.622 121.784 120.200 -0.064 0.000 2.101 26 E HA 0.454 4.804 4.350 0.001 0.000 0.260 26 E C -1.143 175.370 176.600 -0.145 0.000 0.897 26 E CA -0.357 55.999 56.400 -0.074 0.000 0.744 26 E CB 1.604 31.277 29.700 -0.045 0.000 1.140 26 E HN 0.495 nan 8.360 nan 0.000 0.419 27 V N 5.051 124.839 119.914 -0.211 0.000 2.585 27 V HA 0.171 4.292 4.120 0.001 0.000 0.296 27 V C 0.586 176.339 176.094 -0.569 0.000 1.035 27 V CA 0.424 62.448 62.300 -0.460 0.000 1.084 27 V CB 0.589 32.067 31.823 -0.575 0.000 0.953 27 V HN 0.643 nan 8.190 nan 0.000 0.483 28 R N 3.401 123.516 120.500 -0.641 0.000 2.836 28 R HA 0.590 4.930 4.340 0.001 0.000 0.269 28 R C -1.411 174.596 176.300 -0.488 0.000 1.010 28 R CA -0.732 55.131 56.100 -0.396 0.000 0.930 28 R CB 2.540 32.771 30.300 -0.115 0.000 1.218 28 R HN 0.635 nan 8.270 nan 0.000 0.473 29 W N 0.454 121.751 121.300 -0.005 0.000 2.902 29 W HA 0.706 5.366 4.660 0.001 0.000 0.346 29 W C -0.769 175.747 176.519 -0.005 0.000 1.139 29 W CA -0.788 56.554 57.345 -0.005 0.000 1.139 29 W CB 2.050 31.507 29.460 -0.005 0.000 1.439 29 W HN 0.253 nan 8.180 nan 0.000 0.558 30 V N 1.027 121.081 119.914 0.234 0.000 3.177 30 V HA 0.114 4.235 4.120 0.001 0.000 0.287 30 V C -1.475 174.679 176.094 0.099 0.000 1.465 30 V CA -0.527 61.851 62.300 0.129 0.000 1.020 30 V CB 2.116 33.984 31.823 0.076 0.000 1.152 30 V HN 0.505 nan 8.190 nan 0.000 0.448 31 D N 3.081 123.522 120.400 0.068 0.000 2.435 31 D HA 0.335 4.975 4.640 0.001 0.000 0.230 31 D C 1.203 177.526 176.300 0.037 0.000 1.215 31 D CA 0.931 54.959 54.000 0.048 0.000 0.947 31 D CB 1.146 41.967 40.800 0.034 0.000 1.048 31 D HN 0.811 nan 8.370 nan 0.000 0.512 32 G N 4.548 113.370 108.800 0.037 0.000 2.442 32 G HA2 -0.194 3.767 3.960 0.001 0.000 0.219 32 G HA3 -0.194 3.767 3.960 0.001 0.000 0.219 32 G C -0.697 174.215 174.900 0.019 0.000 1.141 32 G CA 0.190 45.305 45.100 0.025 0.000 0.763 32 G HN 0.447 nan 8.290 nan 0.000 0.554 33 P HA -0.135 nan 4.420 nan 0.000 0.214 33 P C 0.587 177.896 177.300 0.015 0.000 1.169 33 P CA 1.228 64.338 63.100 0.016 0.000 0.908 33 P CB -0.204 31.506 31.700 0.016 0.000 0.791 34 D N 0.012 120.422 120.400 0.016 0.000 2.383 34 D HA -0.059 4.581 4.640 0.001 0.000 0.275 34 D C 1.420 177.729 176.300 0.014 0.000 1.344 34 D CA 0.132 54.141 54.000 0.015 0.000 0.984 34 D CB 0.226 41.035 40.800 0.016 0.000 1.104 34 D HN -0.154 nan 8.370 nan 0.000 0.524 35 R N 3.161 123.668 120.500 0.012 0.000 2.091 35 R HA -0.122 4.218 4.340 0.001 0.000 0.238 35 R C 1.088 177.394 176.300 0.010 0.000 1.136 35 R CA 1.039 57.145 56.100 0.010 0.000 0.959 35 R CB -0.445 29.860 30.300 0.009 0.000 0.856 35 R HN 0.561 nan 8.270 nan 0.000 0.437 36 D N 0.794 121.200 120.400 0.010 0.000 2.088 36 D HA -0.175 4.465 4.640 0.001 0.000 0.191 36 D C 1.821 178.128 176.300 0.012 0.000 0.992 36 D CA 1.213 55.219 54.000 0.010 0.000 0.831 36 D CB -0.245 40.560 40.800 0.009 0.000 0.973 36 D HN 0.167 nan 8.370 nan 0.000 0.447 37 K N 0.242 120.651 120.400 0.014 0.000 2.044 37 K HA -0.182 4.138 4.320 0.001 0.000 0.210 37 K C 2.135 178.746 176.600 0.018 0.000 1.049 37 K CA 0.736 57.034 56.287 0.018 0.000 0.927 37 K CB -0.328 32.185 32.500 0.022 0.000 0.713 37 K HN -0.036 nan 8.250 nan 0.000 0.443 38 L N 1.162 122.396 121.223 0.017 0.000 1.963 38 L HA -0.231 4.109 4.340 0.001 0.000 0.220 38 L C 1.808 178.684 176.870 0.010 0.000 1.076 38 L CA 1.823 56.672 54.840 0.015 0.000 0.772 38 L CB -0.961 41.105 42.059 0.013 0.000 0.892 38 L HN 0.218 nan 8.230 nan 0.000 0.435 39 L N -0.021 121.207 121.223 0.008 0.000 2.349 39 L HA -0.106 4.234 4.340 0.001 0.000 0.220 39 L C 2.535 179.409 176.870 0.005 0.000 1.130 39 L CA 1.718 56.562 54.840 0.005 0.000 0.791 39 L CB -1.979 40.083 42.059 0.005 0.000 0.918 39 L HN 0.465 nan 8.230 nan 0.000 0.444 40 A N -1.509 121.316 122.820 0.008 0.000 2.178 40 A HA 0.358 4.678 4.320 0.001 0.000 0.211 40 A C 2.250 179.839 177.584 0.009 0.000 1.157 40 A CA 1.034 53.076 52.037 0.009 0.000 0.780 40 A CB -0.242 18.765 19.000 0.011 0.000 0.828 40 A HN 0.318 nan 8.150 nan 0.000 0.476 41 A N -1.023 121.803 122.820 0.009 0.000 2.192 41 A HA 0.348 4.669 4.320 0.001 0.000 0.208 41 A C 1.828 179.411 177.584 -0.003 0.000 1.220 41 A CA 0.824 52.864 52.037 0.007 0.000 0.900 41 A CB -0.274 18.735 19.000 0.014 0.000 0.937 41 A HN 0.263 nan 8.150 nan 0.000 0.487 42 V N 1.638 121.550 119.914 -0.004 0.000 2.317 42 V HA -0.193 3.928 4.120 0.001 0.000 0.251 42 V C -0.207 175.880 176.094 -0.011 0.000 1.065 42 V CA 2.477 64.772 62.300 -0.009 0.000 1.049 42 V CB -1.857 29.962 31.823 -0.007 0.000 0.651 42 V HN 0.447 nan 8.190 nan 0.000 0.450 43 P HA -0.189 nan 4.420 nan 0.000 0.218 43 P C 0.804 178.098 177.300 -0.009 0.000 1.146 43 P CA 1.812 64.908 63.100 -0.007 0.000 0.813 43 P CB -0.115 31.583 31.700 -0.003 0.000 0.778 44 E N -1.294 118.899 120.200 -0.012 0.000 3.157 44 E HA 0.531 4.882 4.350 0.001 0.000 0.203 44 E C -0.217 176.369 176.600 -0.023 0.000 0.982 44 E CA -0.710 55.682 56.400 -0.015 0.000 1.217 44 E CB 0.490 30.183 29.700 -0.011 0.000 1.123 44 E HN -0.030 nan 8.360 nan 0.000 0.457 45 A N 0.785 123.589 122.820 -0.027 0.000 2.301 45 A HA 0.309 4.630 4.320 0.001 0.000 0.312 45 A C -0.175 177.387 177.584 -0.037 0.000 1.182 45 A CA -0.578 51.436 52.037 -0.038 0.000 0.826 45 A CB 0.685 19.661 19.000 -0.040 0.000 1.134 45 A HN 0.176 nan 8.150 nan 0.000 0.501 46 D N 0.760 121.134 120.400 -0.044 0.000 2.346 46 D HA 0.392 5.032 4.640 0.001 0.000 0.206 46 D C 0.368 176.640 176.300 -0.046 0.000 1.001 46 D CA 1.562 55.538 54.000 -0.040 0.000 0.871 46 D CB 0.425 41.201 40.800 -0.041 0.000 0.943 46 D HN 0.734 nan 8.370 nan 0.000 0.518 47 A N 0.607 123.394 122.820 -0.056 0.000 2.491 47 A HA 0.513 4.834 4.320 0.001 0.000 0.293 47 A C -1.915 175.629 177.584 -0.066 0.000 1.047 47 A CA -0.753 51.248 52.037 -0.060 0.000 0.735 47 A CB 0.904 19.864 19.000 -0.068 0.000 1.281 47 A HN 0.088 nan 8.150 nan 0.000 0.398 48 L N 3.722 124.911 121.223 -0.056 0.000 2.287 48 L HA 0.779 5.119 4.340 0.001 0.000 0.287 48 L C -1.213 175.624 176.870 -0.055 0.000 1.022 48 L CA -0.260 54.547 54.840 -0.056 0.000 0.814 48 L CB 0.745 42.780 42.059 -0.040 0.000 1.217 48 L HN 0.581 nan 8.230 nan 0.000 0.420 49 L N 6.252 127.436 121.223 -0.064 0.000 2.322 49 L HA 0.829 5.169 4.340 0.001 0.000 0.279 49 L C -0.247 176.602 176.870 -0.035 0.000 1.036 49 L CA -1.042 53.766 54.840 -0.053 0.000 0.807 49 L CB 1.679 43.698 42.059 -0.066 0.000 1.226 49 L HN 0.620 nan 8.230 nan 0.000 0.433 50 V N 0.151 120.050 119.914 -0.024 0.000 3.130 50 V HA 0.583 4.703 4.120 0.001 0.000 0.310 50 V C -0.026 176.062 176.094 -0.010 0.000 1.158 50 V CA -0.798 61.495 62.300 -0.012 0.000 1.029 50 V CB 2.531 34.348 31.823 -0.010 0.000 1.057 50 V HN 0.771 nan 8.190 nan 0.000 0.436 51 R N 0.646 121.144 120.500 -0.004 0.000 1.864 51 R HA 0.373 4.714 4.340 0.001 0.000 0.174 51 R C 1.422 177.715 176.300 -0.012 0.000 1.773 51 R CA 1.230 57.325 56.100 -0.009 0.000 1.381 51 R CB 0.228 30.524 30.300 -0.007 0.000 1.066 51 R HN 0.987 nan 8.270 nan 0.000 0.482 52 S N -1.938 113.758 115.700 -0.008 0.000 2.615 52 S HA 0.245 4.715 4.470 0.001 0.000 0.277 52 S C 1.176 175.778 174.600 0.004 0.000 1.068 52 S CA 0.017 58.215 58.200 -0.005 0.000 1.315 52 S CB 1.020 64.211 63.200 -0.015 0.000 1.193 52 S HN 0.310 nan 8.310 nan 0.000 0.656 53 A N 2.580 125.404 122.820 0.006 0.000 1.929 53 A HA 0.237 4.557 4.320 0.001 0.000 0.216 53 A C 1.633 179.224 177.584 0.012 0.000 1.176 53 A CA 1.580 53.623 52.037 0.011 0.000 0.628 53 A CB -1.049 17.959 19.000 0.013 0.000 0.816 53 A HN 0.748 nan 8.150 nan 0.000 0.444 54 T N -2.502 112.058 114.554 0.011 0.000 2.847 54 T HA 0.465 4.815 4.350 0.001 0.000 0.279 54 T C -0.214 174.491 174.700 0.008 0.000 0.984 54 T CA 0.141 62.247 62.100 0.010 0.000 0.988 54 T CB 1.147 70.020 68.868 0.009 0.000 1.040 54 T HN 0.039 nan 8.240 nan 0.000 0.528 55 T N 2.222 116.780 114.554 0.007 0.000 3.064 55 T HA 0.379 4.729 4.350 0.001 0.000 0.367 55 T C -0.297 174.405 174.700 0.003 0.000 1.202 55 T CA -0.597 61.507 62.100 0.007 0.000 1.133 55 T CB 0.430 69.303 68.868 0.009 0.000 1.074 55 T HN 0.616 nan 8.240 nan 0.000 0.519 56 V N 5.202 125.117 119.914 0.000 0.000 2.403 56 V HA 0.294 4.414 4.120 0.001 0.000 0.265 56 V C 0.238 176.331 176.094 -0.002 0.000 1.034 56 V CA -0.294 62.005 62.300 -0.003 0.000 1.036 56 V CB -0.615 31.203 31.823 -0.008 0.000 1.032 56 V HN 0.901 nan 8.190 nan 0.000 0.478 57 D N 3.858 124.258 120.400 -0.001 0.000 2.636 57 D HA 0.606 5.247 4.640 0.001 0.000 0.275 57 D C 0.993 177.293 176.300 -0.001 0.000 1.130 57 D CA -0.174 53.826 54.000 0.000 0.000 1.031 57 D CB 1.517 42.318 40.800 0.003 0.000 1.451 57 D HN 0.293 nan 8.370 nan 0.000 0.505 58 A N -0.157 122.663 122.820 -0.000 0.000 1.940 58 A HA -0.315 4.005 4.320 0.001 0.000 0.221 58 A C 1.873 179.456 177.584 -0.001 0.000 1.190 58 A CA 2.372 54.409 52.037 -0.000 0.000 0.647 58 A CB -1.050 17.951 19.000 0.001 0.000 0.821 58 A HN 0.735 nan 8.150 nan 0.000 0.457 59 E N -0.266 119.934 120.200 0.000 0.000 2.017 59 E HA -0.140 4.210 4.350 0.001 0.000 0.193 59 E C 2.049 178.649 176.600 -0.001 0.000 0.997 59 E CA 1.751 58.151 56.400 0.000 0.000 0.804 59 E CB -0.216 29.485 29.700 0.002 0.000 0.757 59 E HN 0.360 nan 8.360 nan 0.000 0.448 60 V N 1.676 121.590 119.914 -0.001 0.000 2.252 60 V HA -0.310 3.810 4.120 0.001 0.000 0.249 60 V C 2.666 178.757 176.094 -0.005 0.000 1.056 60 V CA 1.809 64.108 62.300 -0.002 0.000 1.022 60 V CB -0.722 31.099 31.823 -0.003 0.000 0.641 60 V HN 0.272 nan 8.190 nan 0.000 0.445 61 L N 0.245 121.465 121.223 -0.006 0.000 1.956 61 L HA -0.249 4.091 4.340 0.001 0.000 0.216 61 L C 2.756 179.622 176.870 -0.007 0.000 1.073 61 L CA 2.264 57.099 54.840 -0.007 0.000 0.762 61 L CB -0.877 41.178 42.059 -0.007 0.000 0.889 61 L HN 0.343 nan 8.230 nan 0.000 0.433 62 A N -0.497 122.320 122.820 -0.005 0.000 1.940 62 A HA -0.205 4.115 4.320 0.001 0.000 0.219 62 A C 2.349 179.930 177.584 -0.004 0.000 1.176 62 A CA 1.743 53.778 52.037 -0.004 0.000 0.631 62 A CB -0.964 18.034 19.000 -0.002 0.000 0.814 62 A HN 0.462 nan 8.150 nan 0.000 0.446 63 A N -1.202 121.616 122.820 -0.004 0.000 2.259 63 A HA 0.407 4.727 4.320 0.001 0.000 0.212 63 A C 1.118 178.699 177.584 -0.005 0.000 1.178 63 A CA 1.206 53.241 52.037 -0.003 0.000 0.734 63 A CB -0.692 18.307 19.000 -0.002 0.000 0.774 63 A HN 1.303 nan 8.150 nan 0.000 0.481 64 A N 0.108 122.924 122.820 -0.007 0.000 2.545 64 A HA 0.621 4.941 4.320 0.001 0.000 0.300 64 A C -1.792 175.785 177.584 -0.011 0.000 1.252 64 A CA -1.135 50.896 52.037 -0.010 0.000 0.753 64 A CB 0.961 19.953 19.000 -0.013 0.000 1.144 64 A HN 0.125 nan 8.150 nan 0.000 0.457 65 P HA 0.028 nan 4.420 nan 0.000 0.239 65 P C 0.922 178.216 177.300 -0.011 0.000 1.188 65 P CA 0.588 63.683 63.100 -0.009 0.000 0.794 65 P CB 0.440 32.136 31.700 -0.007 0.000 0.937 66 K N -0.420 119.973 120.400 -0.013 0.000 2.366 66 K HA 0.040 4.361 4.320 0.001 0.000 0.198 66 K C 0.684 177.273 176.600 -0.019 0.000 1.044 66 K CA -0.115 56.163 56.287 -0.015 0.000 0.973 66 K CB -0.553 31.937 32.500 -0.017 0.000 0.767 66 K HN 0.163 nan 8.250 nan 0.000 0.475 67 L N 2.211 123.423 121.223 -0.019 0.000 2.562 67 L HA -0.071 4.270 4.340 0.001 0.000 0.271 67 L C 1.034 177.890 176.870 -0.024 0.000 1.167 67 L CA 0.959 55.785 54.840 -0.024 0.000 0.917 67 L CB 0.339 42.385 42.059 -0.022 0.000 1.187 67 L HN -0.040 nan 8.230 nan 0.000 0.482 68 K N 4.998 125.381 120.400 -0.028 0.000 2.348 68 K HA 0.335 4.655 4.320 0.001 0.000 0.194 68 K C -0.013 176.566 176.600 -0.035 0.000 1.052 68 K CA 0.164 56.433 56.287 -0.029 0.000 1.004 68 K CB 0.843 33.326 32.500 -0.028 0.000 0.873 68 K HN 0.526 nan 8.250 nan 0.000 0.523 69 I N 0.765 121.311 120.570 -0.040 0.000 2.685 69 I HA 0.159 4.329 4.170 0.001 0.000 0.289 69 I C -1.829 174.261 176.117 -0.045 0.000 1.292 69 I CA -0.862 60.411 61.300 -0.046 0.000 1.050 69 I CB 2.011 39.978 38.000 -0.055 0.000 1.301 69 I HN -0.333 nan 8.210 nan 0.000 0.425 70 V N 6.803 126.692 119.914 -0.042 0.000 2.459 70 V HA 0.878 4.999 4.120 0.001 0.000 0.295 70 V C -0.041 176.028 176.094 -0.042 0.000 1.029 70 V CA -0.254 62.023 62.300 -0.038 0.000 0.874 70 V CB 1.558 33.363 31.823 -0.030 0.000 0.985 70 V HN 0.786 nan 8.190 nan 0.000 0.438 71 A N 5.775 128.570 122.820 -0.042 0.000 2.398 71 A HA 0.782 5.103 4.320 0.001 0.000 0.301 71 A C -0.595 176.968 177.584 -0.035 0.000 1.041 71 A CA -0.725 51.286 52.037 -0.043 0.000 0.711 71 A CB 1.480 20.450 19.000 -0.051 0.000 1.240 71 A HN 0.698 nan 8.150 nan 0.000 0.420 72 R N 2.073 122.554 120.500 -0.031 0.000 2.474 72 R HA 0.650 4.991 4.340 0.001 0.000 0.295 72 R C -0.391 175.893 176.300 -0.026 0.000 0.980 72 R CA -0.232 55.853 56.100 -0.025 0.000 0.934 72 R CB 1.665 31.953 30.300 -0.020 0.000 1.101 72 R HN 0.867 nan 8.270 nan 0.000 0.469 73 A N 2.753 125.559 122.820 -0.023 0.000 2.910 73 A HA 0.545 4.866 4.320 0.001 0.000 0.316 73 A C -0.057 177.512 177.584 -0.025 0.000 1.493 73 A CA 0.180 52.204 52.037 -0.022 0.000 1.150 73 A CB 0.039 19.030 19.000 -0.016 0.000 1.159 73 A HN 0.882 nan 8.150 nan 0.000 0.526 74 G N -0.899 107.886 108.800 -0.025 0.000 2.321 74 G HA2 0.377 4.338 3.960 0.001 0.000 0.296 74 G HA3 0.377 4.338 3.960 0.001 0.000 0.296 74 G C -0.089 174.800 174.900 -0.019 0.000 1.287 74 G CA 0.157 45.240 45.100 -0.027 0.000 0.846 74 G HN 0.470 nan 8.290 nan 0.000 0.508 75 V N 0.418 120.326 119.914 -0.011 0.000 3.048 75 V HA 0.365 4.485 4.120 0.001 0.000 0.241 75 V C 2.034 178.133 176.094 0.008 0.000 1.129 75 V CA 1.303 63.603 62.300 0.000 0.000 1.128 75 V CB -0.277 31.553 31.823 0.012 0.000 0.849 75 V HN 1.109 nan 8.190 nan 0.000 0.475 76 G N -0.230 108.580 108.800 0.017 0.000 2.664 76 G HA2 0.341 4.302 3.960 0.001 0.000 0.242 76 G HA3 0.341 4.302 3.960 0.001 0.000 0.242 76 G C 0.068 174.976 174.900 0.013 0.000 1.225 76 G CA -0.040 45.077 45.100 0.028 0.000 0.849 76 G HN 0.306 nan 8.290 nan 0.000 0.581 77 L N 0.066 121.298 121.223 0.017 0.000 3.429 77 L HA 0.147 4.488 4.340 0.001 0.000 0.311 77 L C 1.008 177.885 176.870 0.012 0.000 1.274 77 L CA -0.161 54.684 54.840 0.008 0.000 1.037 77 L CB 0.619 42.679 42.059 0.002 0.000 1.433 77 L HN 0.409 nan 8.230 nan 0.000 0.614 78 D N 1.284 121.698 120.400 0.022 0.000 2.158 78 D HA -0.180 4.460 4.640 0.001 0.000 0.197 78 D C 1.593 177.905 176.300 0.020 0.000 0.995 78 D CA 1.362 55.378 54.000 0.027 0.000 0.846 78 D CB -0.013 40.812 40.800 0.041 0.000 0.941 78 D HN 0.420 nan 8.370 nan 0.000 0.456 79 N N 0.338 119.048 118.700 0.016 0.000 2.313 79 N HA -0.018 4.723 4.740 0.001 0.000 0.207 79 N C -0.558 174.955 175.510 0.006 0.000 1.141 79 N CA 0.048 53.105 53.050 0.012 0.000 0.830 79 N CB 0.580 39.073 38.487 0.011 0.000 1.008 79 N HN -0.022 nan 8.380 nan 0.000 0.481 80 V N 0.627 120.544 119.914 0.004 0.000 2.709 80 V HA 0.160 4.280 4.120 0.001 0.000 0.308 80 V C -0.947 175.147 176.094 0.000 0.000 1.062 80 V CA -0.962 61.338 62.300 -0.001 0.000 0.901 80 V CB 2.143 33.962 31.823 -0.006 0.000 1.003 80 V HN 0.001 nan 8.190 nan 0.000 0.425 81 D N 3.129 123.528 120.400 -0.001 0.000 2.468 81 D HA 0.265 4.905 4.640 0.001 0.000 0.218 81 D C 0.866 177.163 176.300 -0.004 0.000 1.155 81 D CA -0.023 53.977 54.000 -0.001 0.000 0.924 81 D CB 1.373 42.173 40.800 -0.000 0.000 1.029 81 D HN 0.225 nan 8.370 nan 0.000 0.515 82 V N 3.132 123.043 119.914 -0.004 0.000 2.358 82 V HA -0.202 3.918 4.120 0.001 0.000 0.246 82 V C 1.641 177.732 176.094 -0.006 0.000 1.047 82 V CA 1.506 63.802 62.300 -0.007 0.000 1.035 82 V CB -0.351 31.467 31.823 -0.008 0.000 0.658 82 V HN 0.445 nan 8.190 nan 0.000 0.452 83 D N 0.971 121.370 120.400 -0.003 0.000 2.104 83 D HA -0.142 4.498 4.640 0.001 0.000 0.194 83 D C 2.254 178.552 176.300 -0.002 0.000 0.994 83 D CA 1.728 55.727 54.000 -0.002 0.000 0.830 83 D CB -0.612 40.188 40.800 0.000 0.000 0.959 83 D HN 0.425 nan 8.370 nan 0.000 0.452 84 A N 1.381 124.199 122.820 -0.002 0.000 1.849 84 A HA -0.170 4.150 4.320 0.001 0.000 0.217 84 A C 2.378 179.959 177.584 -0.005 0.000 1.202 84 A CA 3.034 55.070 52.037 -0.003 0.000 0.629 84 A CB -1.176 17.822 19.000 -0.002 0.000 0.834 84 A HN 0.264 nan 8.150 nan 0.000 0.447 85 A N -1.309 121.507 122.820 -0.007 0.000 1.940 85 A HA -0.101 4.219 4.320 0.001 0.000 0.219 85 A C 2.272 179.851 177.584 -0.009 0.000 1.176 85 A CA 2.417 54.448 52.037 -0.010 0.000 0.631 85 A CB -1.371 17.621 19.000 -0.014 0.000 0.814 85 A HN 0.512 nan 8.150 nan 0.000 0.446 86 T N 0.397 114.947 114.554 -0.008 0.000 2.788 86 T HA -0.012 4.339 4.350 0.001 0.000 0.268 86 T C 2.185 176.884 174.700 -0.003 0.000 1.044 86 T CA 1.410 63.506 62.100 -0.006 0.000 1.139 86 T CB -0.464 68.402 68.868 -0.003 0.000 0.867 86 T HN 0.620 nan 8.240 nan 0.000 0.454 87 A N 2.746 125.564 122.820 -0.003 0.000 1.908 87 A HA -0.157 4.163 4.320 0.001 0.000 0.218 87 A C 2.111 179.694 177.584 -0.002 0.000 1.181 87 A CA 1.261 53.297 52.037 -0.001 0.000 0.627 87 A CB -0.390 18.610 19.000 -0.001 0.000 0.818 87 A HN 0.578 nan 8.150 nan 0.000 0.445 88 R N -0.893 119.605 120.500 -0.004 0.000 2.568 88 R HA 0.304 4.645 4.340 0.001 0.000 0.288 88 R C 0.831 177.128 176.300 -0.005 0.000 1.077 88 R CA 0.567 56.665 56.100 -0.004 0.000 1.102 88 R CB -1.090 29.207 30.300 -0.005 0.000 1.278 88 R HN 0.894 nan 8.270 nan 0.000 0.560 89 G N 0.715 109.513 108.800 -0.004 0.000 2.198 89 G HA2 -0.263 3.698 3.960 0.001 0.000 0.260 89 G HA3 -0.263 3.698 3.960 0.001 0.000 0.260 89 G C -0.100 174.795 174.900 -0.009 0.000 1.025 89 G CA 0.304 45.402 45.100 -0.004 0.000 0.769 89 G HN 0.258 nan 8.290 nan 0.000 0.507 90 V N 1.348 121.254 119.914 -0.013 0.000 2.347 90 V HA 0.495 4.615 4.120 0.001 0.000 0.280 90 V C 0.869 176.947 176.094 -0.026 0.000 1.021 90 V CA -1.080 61.208 62.300 -0.020 0.000 0.847 90 V CB 1.396 33.208 31.823 -0.019 0.000 0.990 90 V HN 0.292 nan 8.190 nan 0.000 0.444 91 L N 6.018 127.220 121.223 -0.035 0.000 2.601 91 L HA 0.044 4.385 4.340 0.001 0.000 0.277 91 L C 0.192 177.033 176.870 -0.048 0.000 1.219 91 L CA 1.100 55.910 54.840 -0.049 0.000 0.915 91 L CB 0.277 42.296 42.059 -0.066 0.000 1.160 91 L HN 0.409 nan 8.230 nan 0.000 0.494 92 V N 4.870 124.755 119.914 -0.048 0.000 2.483 92 V HA 0.645 4.766 4.120 0.001 0.000 0.295 92 V C -0.017 176.043 176.094 -0.058 0.000 1.035 92 V CA -0.630 61.643 62.300 -0.045 0.000 0.896 92 V CB 1.992 33.796 31.823 -0.032 0.000 0.986 92 V HN 0.450 nan 8.190 nan 0.000 0.447 93 V N 4.853 124.733 119.914 -0.057 0.000 2.841 93 V HA 0.515 4.635 4.120 0.001 0.000 0.310 93 V C -0.351 175.714 176.094 -0.049 0.000 1.090 93 V CA -0.743 61.518 62.300 -0.065 0.000 0.930 93 V CB 2.301 34.075 31.823 -0.081 0.000 1.014 93 V HN 1.110 nan 8.190 nan 0.000 0.425 94 N N 2.118 120.790 118.700 -0.046 0.000 2.653 94 N HA 0.804 5.544 4.740 0.001 0.000 0.294 94 N C -0.522 174.965 175.510 -0.037 0.000 1.305 94 N CA -0.785 52.244 53.050 -0.036 0.000 0.827 94 N CB 2.297 40.769 38.487 -0.026 0.000 1.415 94 N HN 0.687 nan 8.380 nan 0.000 0.546 95 A N 0.718 123.520 122.820 -0.030 0.000 2.880 95 A HA 0.344 4.665 4.320 0.001 0.000 0.328 95 A C -1.647 175.922 177.584 -0.025 0.000 1.440 95 A CA -1.647 50.372 52.037 -0.029 0.000 1.068 95 A CB -0.170 18.814 19.000 -0.026 0.000 1.163 95 A HN 0.664 nan 8.150 nan 0.000 0.510 96 P HA -0.154 nan 4.420 nan 0.000 0.218 96 P C 1.077 178.365 177.300 -0.020 0.000 1.148 96 P CA 2.080 65.169 63.100 -0.019 0.000 0.822 96 P CB 0.044 31.733 31.700 -0.018 0.000 0.784 97 T N -5.046 109.492 114.554 -0.027 0.000 3.145 97 T HA 0.159 4.510 4.350 0.001 0.000 0.281 97 T C 1.321 175.988 174.700 -0.055 0.000 1.003 97 T CA 0.265 62.339 62.100 -0.042 0.000 0.901 97 T CB -0.813 68.028 68.868 -0.044 0.000 1.112 97 T HN 0.093 nan 8.240 nan 0.000 0.535 98 S N 0.875 116.553 115.700 -0.037 0.000 2.555 98 S HA 0.027 4.497 4.470 0.001 0.000 0.230 98 S C 1.573 176.156 174.600 -0.028 0.000 0.978 98 S CA 0.473 58.656 58.200 -0.029 0.000 0.934 98 S CB -0.717 62.471 63.200 -0.020 0.000 0.766 98 S HN 0.658 nan 8.310 nan 0.000 0.533 99 N N 1.078 119.756 118.700 -0.036 0.000 2.409 99 N HA 0.103 4.843 4.740 0.001 0.000 0.174 99 N C 1.903 177.390 175.510 -0.038 0.000 1.037 99 N CA 0.843 53.880 53.050 -0.021 0.000 0.898 99 N CB -0.145 38.334 38.487 -0.013 0.000 1.010 99 N HN 0.657 nan 8.380 nan 0.000 0.445 100 I N -0.469 120.032 120.570 -0.114 0.000 2.127 100 I HA -0.270 3.901 4.170 0.001 0.000 0.241 100 I C 1.711 177.741 176.117 -0.144 0.000 1.075 100 I CA 1.556 62.749 61.300 -0.180 0.000 1.334 100 I CB -0.808 37.013 38.000 -0.298 0.000 1.040 100 I HN 0.157 nan 8.210 nan 0.000 0.405 101 H N 0.746 119.828 119.070 0.020 0.000 2.395 101 H HA 0.027 4.583 4.556 0.001 0.000 0.299 101 H C 2.670 178.021 175.328 0.037 0.000 1.070 101 H CA 1.493 57.556 56.048 0.025 0.000 1.356 101 H CB -0.304 29.471 29.762 0.021 0.000 1.401 101 H HN 0.410 nan 8.280 nan 0.000 0.524 102 S N 0.455 116.236 115.700 0.135 0.000 2.368 102 S HA -0.062 4.409 4.470 0.001 0.000 0.224 102 S C 2.425 177.091 174.600 0.111 0.000 1.029 102 S CA 0.874 59.135 58.200 0.101 0.000 0.988 102 S CB -0.134 63.099 63.200 0.055 0.000 0.838 102 S HN 0.540 nan 8.310 nan 0.000 0.462 103 A N 1.334 124.209 122.820 0.092 0.000 1.898 103 A HA 0.142 4.463 4.320 0.001 0.000 0.216 103 A C 2.311 179.985 177.584 0.150 0.000 1.181 103 A CA 1.680 53.794 52.037 0.128 0.000 0.620 103 A CB -1.015 18.045 19.000 0.100 0.000 0.819 103 A HN 0.514 nan 8.150 nan 0.000 0.442 104 A N 0.237 123.117 122.820 0.101 0.000 1.877 104 A HA -0.180 4.140 4.320 0.001 0.000 0.216 104 A C 1.879 179.529 177.584 0.110 0.000 1.186 104 A CA 1.638 53.723 52.037 0.080 0.000 0.620 104 A CB -0.605 18.430 19.000 0.060 0.000 0.822 104 A HN 0.646 nan 8.150 nan 0.000 0.443 105 E N -1.383 118.895 120.200 0.130 0.000 2.110 105 E HA -0.248 4.102 4.350 0.001 0.000 0.193 105 E C 1.941 178.626 176.600 0.141 0.000 0.988 105 E CA 1.405 57.879 56.400 0.124 0.000 0.804 105 E CB -0.319 29.454 29.700 0.122 0.000 0.745 105 E HN 0.838 nan 8.360 nan 0.000 0.458 106 H N 0.563 119.672 119.070 0.066 0.000 2.423 106 H HA 0.068 4.624 4.556 0.000 0.000 0.297 106 H C 1.894 177.258 175.328 0.059 0.000 1.075 106 H CA 1.307 57.390 56.048 0.060 0.000 1.342 106 H CB -0.050 29.751 29.762 0.064 0.000 1.395 106 H HN 0.171 nan 8.280 nan 0.000 0.530 107 A N 0.632 123.507 122.820 0.091 0.000 1.902 107 A HA -0.099 4.222 4.320 0.001 0.000 0.217 107 A C 2.276 179.849 177.584 -0.019 0.000 1.181 107 A CA 1.293 53.359 52.037 0.048 0.000 0.623 107 A CB -0.620 18.501 19.000 0.201 0.000 0.818 107 A HN 0.410 nan 8.150 nan 0.000 0.443 108 L N -0.722 120.500 121.223 -0.002 0.000 2.093 108 L HA -0.159 4.181 4.340 0.001 0.000 0.208 108 L C 3.044 179.866 176.870 -0.080 0.000 1.085 108 L CA 1.868 56.677 54.840 -0.052 0.000 0.755 108 L CB -1.621 40.432 42.059 -0.010 0.000 0.904 108 L HN 0.475 nan 8.230 nan 0.000 0.435 109 A N -0.015 122.763 122.820 -0.070 0.000 1.883 109 A HA -0.202 4.118 4.320 0.001 0.000 0.217 109 A C 2.329 179.832 177.584 -0.135 0.000 1.186 109 A CA 1.478 53.462 52.037 -0.088 0.000 0.624 109 A CB -0.675 18.277 19.000 -0.080 0.000 0.822 109 A HN 0.384 nan 8.150 nan 0.000 0.444 110 L N -0.942 120.150 121.223 -0.217 0.000 2.141 110 L HA -0.086 4.255 4.340 0.001 0.000 0.209 110 L C 2.526 179.351 176.870 -0.074 0.000 1.094 110 L CA 0.949 55.689 54.840 -0.167 0.000 0.763 110 L CB -0.304 41.631 42.059 -0.207 0.000 0.908 110 L HN 0.522 nan 8.230 nan 0.000 0.437 111 L N -0.650 120.530 121.223 -0.072 0.000 2.093 111 L HA -0.189 4.151 4.340 0.001 0.000 0.208 111 L C 2.281 179.137 176.870 -0.024 0.000 1.085 111 L CA 1.260 56.083 54.840 -0.027 0.000 0.755 111 L CB 0.054 42.066 42.059 -0.078 0.000 0.904 111 L HN 0.186 nan 8.230 nan 0.000 0.435 112 L N -0.650 120.528 121.223 -0.076 0.000 2.131 112 L HA -0.030 4.310 4.340 0.001 0.000 0.206 112 L C 2.770 179.633 176.870 -0.012 0.000 1.087 112 L CA 0.865 55.672 54.840 -0.055 0.000 0.767 112 L CB -0.688 41.328 42.059 -0.072 0.000 0.917 112 L HN 0.266 nan 8.230 nan 0.000 0.441 113 A N 0.173 122.981 122.820 -0.021 0.000 1.902 113 A HA -0.171 4.150 4.320 0.001 0.000 0.217 113 A C 2.479 180.072 177.584 0.016 0.000 1.181 113 A CA 1.807 53.839 52.037 -0.009 0.000 0.623 113 A CB -0.675 18.313 19.000 -0.019 0.000 0.818 113 A HN 0.380 nan 8.150 nan 0.000 0.443 114 A N -1.028 121.807 122.820 0.025 0.000 2.014 114 A HA 0.056 4.376 4.320 0.001 0.000 0.218 114 A C 2.331 179.953 177.584 0.063 0.000 1.163 114 A CA 1.734 53.798 52.037 0.044 0.000 0.652 114 A CB -0.502 18.525 19.000 0.045 0.000 0.808 114 A HN 0.425 nan 8.150 nan 0.000 0.449 115 S N -0.596 115.156 115.700 0.086 0.000 2.446 115 S HA 0.013 4.483 4.470 0.001 0.000 0.225 115 S C 1.632 176.283 174.600 0.086 0.000 1.016 115 S CA 0.558 58.832 58.200 0.124 0.000 0.943 115 S CB -0.014 63.315 63.200 0.214 0.000 0.786 115 S HN 0.484 nan 8.310 nan 0.000 0.508 116 R N 0.725 121.258 120.500 0.055 0.000 2.472 116 R HA 0.288 4.628 4.340 0.001 0.000 0.279 116 R C -0.148 176.169 176.300 0.028 0.000 0.953 116 R CA -0.026 56.095 56.100 0.035 0.000 1.088 116 R CB -0.472 29.831 30.300 0.004 0.000 1.197 116 R HN 0.428 nan 8.270 nan 0.000 0.536 117 Q N 0.495 120.329 119.800 0.056 0.000 2.481 117 Q HA -0.190 4.151 4.340 0.001 0.000 0.272 117 Q C 0.946 176.959 176.000 0.021 0.000 1.157 117 Q CA 0.469 56.327 55.803 0.093 0.000 0.935 117 Q CB -1.317 27.569 28.738 0.247 0.000 1.338 117 Q HN 0.208 nan 8.270 nan 0.000 0.494 118 I N -0.088 120.467 120.570 -0.025 0.000 2.074 118 I HA -0.244 3.926 4.170 0.001 0.000 0.238 118 I C -0.485 175.599 176.117 -0.054 0.000 1.037 118 I CA 2.347 63.605 61.300 -0.069 0.000 1.301 118 I CB -2.160 35.814 38.000 -0.043 0.000 1.016 118 I HN 0.244 nan 8.210 nan 0.000 0.400 119 P HA -0.138 nan 4.420 nan 0.000 0.215 119 P C 1.707 179.028 177.300 0.035 0.000 1.157 119 P CA 2.191 65.295 63.100 0.008 0.000 0.874 119 P CB -0.100 31.612 31.700 0.020 0.000 0.790 120 A N -0.117 122.758 122.820 0.092 0.000 1.908 120 A HA -0.160 4.160 4.320 0.001 0.000 0.218 120 A C 2.324 180.053 177.584 0.242 0.000 1.181 120 A CA 2.353 54.507 52.037 0.195 0.000 0.627 120 A CB -1.632 17.537 19.000 0.282 0.000 0.818 120 A HN 0.207 nan 8.150 nan 0.000 0.445 121 A N -0.015 122.797 122.820 -0.012 0.000 1.835 121 A HA -0.233 4.087 4.320 0.001 0.000 0.215 121 A C 1.828 179.260 177.584 -0.253 0.000 1.199 121 A CA 2.204 53.888 52.037 -0.589 0.000 0.615 121 A CB -1.093 17.326 19.000 -0.968 0.000 0.838 121 A HN 0.569 nan 8.150 nan 0.000 0.444 122 D N -0.488 119.809 120.400 -0.172 0.000 2.170 122 D HA -0.170 4.471 4.640 0.001 0.000 0.193 122 D C 1.966 178.244 176.300 -0.038 0.000 1.004 122 D CA 2.056 55.998 54.000 -0.096 0.000 0.860 122 D CB -0.146 40.618 40.800 -0.060 0.000 0.931 122 D HN 0.404 nan 8.370 nan 0.000 0.448 123 A N -0.071 122.751 122.820 0.004 0.000 1.933 123 A HA -0.171 4.149 4.320 0.001 0.000 0.218 123 A C 2.316 179.935 177.584 0.058 0.000 1.175 123 A CA 2.382 54.442 52.037 0.038 0.000 0.628 123 A CB -1.088 17.944 19.000 0.054 0.000 0.814 123 A HN 0.414 nan 8.150 nan 0.000 0.444 124 S N -0.222 115.527 115.700 0.082 0.000 2.365 124 S HA -0.185 4.285 4.470 0.001 0.000 0.225 124 S C 1.782 176.418 174.600 0.060 0.000 1.039 124 S CA 1.774 60.035 58.200 0.102 0.000 1.033 124 S CB -0.555 62.753 63.200 0.180 0.000 0.887 124 S HN 0.232 nan 8.310 nan 0.000 0.447 125 L N 1.966 123.188 121.223 -0.002 0.000 2.056 125 L HA 0.125 4.466 4.340 0.001 0.000 0.207 125 L C 2.880 179.729 176.870 -0.034 0.000 1.078 125 L CA 1.429 56.256 54.840 -0.021 0.000 0.749 125 L CB -1.446 40.578 42.059 -0.058 0.000 0.901 125 L HN 0.336 nan 8.230 nan 0.000 0.433 126 R N 0.325 120.830 120.500 0.007 0.000 2.117 126 R HA -0.189 4.152 4.340 0.001 0.000 0.243 126 R C 1.722 178.143 176.300 0.200 0.000 1.143 126 R CA 1.162 57.296 56.100 0.057 0.000 0.968 126 R CB -0.526 29.807 30.300 0.055 0.000 0.863 126 R HN 0.534 nan 8.270 nan 0.000 0.444 127 E N -0.584 119.728 120.200 0.186 0.000 2.479 127 E HA 0.028 4.378 4.350 0.001 0.000 0.193 127 E C -0.559 176.245 176.600 0.340 0.000 1.049 127 E CA -0.104 56.434 56.400 0.230 0.000 0.870 127 E CB 0.052 29.828 29.700 0.128 0.000 0.944 127 E HN 0.422 nan 8.360 nan 0.000 0.492 128 H N -0.019 119.091 119.070 0.067 0.000 2.880 128 H HA -0.108 4.449 4.556 0.002 0.000 0.304 128 H C -0.698 174.695 175.328 0.108 0.000 1.259 128 H CA 0.727 56.827 56.048 0.086 0.000 1.153 128 H CB -2.142 27.659 29.762 0.065 0.000 1.395 128 H HN 0.172 nan 8.280 nan 0.000 0.420 129 T N -1.989 112.684 114.554 0.197 0.000 2.856 129 T HA 0.209 4.559 4.350 0.001 0.000 0.283 129 T C 0.027 174.865 174.700 0.230 0.000 1.008 129 T CA -0.802 61.413 62.100 0.193 0.000 0.997 129 T CB 2.361 71.313 68.868 0.140 0.000 0.992 129 T HN 0.391 nan 8.240 nan 0.000 0.454 130 W N 4.046 125.387 121.300 0.069 0.000 1.912 130 W HA 0.238 4.898 4.660 0.000 0.000 0.399 130 W C -0.255 176.325 176.519 0.101 0.000 0.800 130 W CA -0.820 56.566 57.345 0.068 0.000 1.593 130 W CB 0.243 29.731 29.460 0.046 0.000 1.769 130 W HN 0.620 nan 8.180 nan 0.000 0.281 131 K N 3.031 123.397 120.400 -0.058 0.000 2.708 131 K HA -0.023 4.298 4.320 0.001 0.000 0.219 131 K C 1.669 178.292 176.600 0.037 0.000 1.068 131 K CA -0.179 56.130 56.287 0.037 0.000 1.212 131 K CB 0.135 32.704 32.500 0.116 0.000 0.978 131 K HN 0.494 nan 8.250 nan 0.000 0.475 132 R N 1.492 121.788 120.500 -0.341 0.000 2.113 132 R HA -0.183 4.157 4.340 0.001 0.000 0.244 132 R C 1.890 178.226 176.300 0.061 0.000 1.142 132 R CA 2.450 58.412 56.100 -0.229 0.000 0.953 132 R CB -0.173 29.926 30.300 -0.335 0.000 0.860 132 R HN 0.229 nan 8.270 nan 0.000 0.438 133 S N -0.773 114.965 115.700 0.062 0.000 2.584 133 S HA -0.018 4.453 4.470 0.001 0.000 0.240 133 S C 1.281 175.888 174.600 0.011 0.000 0.975 133 S CA 1.088 59.326 58.200 0.063 0.000 0.949 133 S CB 0.211 63.454 63.200 0.073 0.000 0.761 133 S HN 0.353 nan 8.310 nan 0.000 0.536 134 S N 0.039 115.717 115.700 -0.037 0.000 2.511 134 S HA 0.405 4.876 4.470 0.001 0.000 0.214 134 S C -0.140 174.215 174.600 -0.409 0.000 0.997 134 S CA -0.479 57.563 58.200 -0.264 0.000 0.908 134 S CB -0.101 62.839 63.200 -0.433 0.000 0.803 134 S HN 0.525 nan 8.310 nan 0.000 0.504 135 F N 1.616 121.531 119.950 -0.057 0.000 2.470 135 F HA 0.708 5.236 4.527 0.000 0.000 0.329 135 F C 0.462 176.242 175.800 -0.033 0.000 1.072 135 F CA -0.835 57.135 58.000 -0.050 0.000 0.989 135 F CB 1.742 40.700 39.000 -0.071 0.000 1.193 135 F HN -0.116 nan 8.300 nan 0.000 0.481 136 S N 0.825 116.621 115.700 0.161 0.000 2.599 136 S HA 0.614 5.084 4.470 0.001 0.000 0.269 136 S C -0.533 174.114 174.600 0.080 0.000 1.135 136 S CA -0.423 57.831 58.200 0.091 0.000 1.027 136 S CB 0.309 63.536 63.200 0.045 0.000 1.129 136 S HN 1.036 nan 8.310 nan 0.000 0.458 137 G N 1.840 110.686 108.800 0.077 0.000 2.702 137 G HA2 0.736 4.697 3.960 0.001 0.000 0.254 137 G HA3 0.736 4.697 3.960 0.001 0.000 0.254 137 G C -0.894 174.048 174.900 0.070 0.000 1.380 137 G CA -0.598 44.546 45.100 0.073 0.000 1.042 137 G HN 0.681 nan 8.290 nan 0.000 0.557 138 T N 0.476 115.088 114.554 0.097 0.000 2.881 138 T HA 0.418 4.768 4.350 0.001 0.000 0.290 138 T C -0.619 174.202 174.700 0.202 0.000 1.000 138 T CA -0.387 61.791 62.100 0.130 0.000 0.978 138 T CB 2.124 71.053 68.868 0.102 0.000 0.997 138 T HN 0.447 nan 8.240 nan 0.000 0.443 139 E N 1.807 122.122 120.200 0.193 0.000 2.343 139 E HA 0.327 4.677 4.350 0.001 0.000 0.269 139 E C 0.569 177.320 176.600 0.252 0.000 1.047 139 E CA -0.287 56.232 56.400 0.198 0.000 0.874 139 E CB 1.017 30.831 29.700 0.189 0.000 1.033 139 E HN 0.550 nan 8.360 nan 0.000 0.409 140 I N 2.146 122.807 120.570 0.152 0.000 2.867 140 I HA -0.028 4.143 4.170 0.001 0.000 0.265 140 I C 0.922 177.114 176.117 0.125 0.000 1.162 140 I CA -0.116 61.178 61.300 -0.009 0.000 1.471 140 I CB 0.179 38.016 38.000 -0.271 0.000 1.123 140 I HN 0.470 nan 8.210 nan 0.000 0.440 141 F N 2.626 122.617 119.950 0.069 0.000 2.623 141 F HA 0.244 4.771 4.527 0.001 0.000 0.383 141 F C 1.362 177.208 175.800 0.077 0.000 1.077 141 F CA 0.617 58.656 58.000 0.066 0.000 1.268 141 F CB 0.236 39.273 39.000 0.061 0.000 1.053 141 F HN 0.268 nan 8.300 nan 0.000 0.571 142 G N 3.637 112.001 108.800 -0.727 0.000 2.189 142 G HA2 -0.273 3.688 3.960 0.001 0.000 0.267 142 G HA3 -0.273 3.688 3.960 0.001 0.000 0.267 142 G C 0.446 175.326 174.900 -0.035 0.000 0.975 142 G CA 0.305 45.087 45.100 -0.531 0.000 0.644 142 G HN 0.611 nan 8.290 nan 0.000 0.537 143 K N 0.349 120.769 120.400 0.033 0.000 2.098 143 K HA 0.579 4.899 4.320 0.001 0.000 0.244 143 K C 0.176 176.907 176.600 0.219 0.000 1.014 143 K CA -0.214 56.172 56.287 0.166 0.000 0.917 143 K CB 0.724 33.395 32.500 0.284 0.000 1.072 143 K HN 0.080 nan 8.250 nan 0.000 0.477 144 T N 0.972 115.660 114.554 0.224 0.000 2.795 144 T HA 0.314 4.664 4.350 0.001 0.000 0.282 144 T C -0.417 174.411 174.700 0.213 0.000 0.980 144 T CA -0.543 61.684 62.100 0.211 0.000 1.012 144 T CB 0.934 69.876 68.868 0.123 0.000 0.936 144 T HN 0.100 nan 8.240 nan 0.000 0.457 145 V N 3.169 123.184 119.914 0.169 0.000 2.384 145 V HA 0.614 4.734 4.120 0.001 0.000 0.287 145 V C 0.754 176.929 176.094 0.135 0.000 1.020 145 V CA -0.861 61.532 62.300 0.154 0.000 0.850 145 V CB 1.654 33.510 31.823 0.055 0.000 0.987 145 V HN 1.010 nan 8.190 nan 0.000 0.436 146 G N 4.017 112.901 108.800 0.141 0.000 2.327 146 G HA2 0.501 4.461 3.960 0.001 0.000 0.302 146 G HA3 0.501 4.461 3.960 0.001 0.000 0.302 146 G C -0.620 174.357 174.900 0.129 0.000 1.113 146 G CA -0.242 44.931 45.100 0.121 0.000 0.921 146 G HN 0.526 nan 8.290 nan 0.000 0.425 147 V N 3.527 123.524 119.914 0.138 0.000 2.383 147 V HA 0.237 4.357 4.120 0.001 0.000 0.275 147 V C 0.084 176.282 176.094 0.174 0.000 1.036 147 V CA -0.533 61.871 62.300 0.173 0.000 0.889 147 V CB 1.520 33.443 31.823 0.165 0.000 0.985 147 V HN 0.492 nan 8.190 nan 0.000 0.459 148 V N 4.526 124.542 119.914 0.170 0.000 2.328 148 V HA 0.846 4.967 4.120 0.001 0.000 0.278 148 V C 0.581 176.776 176.094 0.169 0.000 1.021 148 V CA 0.160 62.568 62.300 0.179 0.000 0.838 148 V CB 0.580 32.492 31.823 0.148 0.000 0.999 148 V HN 1.271 nan 8.190 nan 0.000 0.447 149 G N 4.374 113.254 108.800 0.134 0.000 3.039 149 G HA2 -0.121 3.840 3.960 0.001 0.000 0.686 149 G HA3 -0.121 3.840 3.960 0.001 0.000 0.686 149 G C -0.753 174.211 174.900 0.107 0.000 1.066 149 G CA -0.685 44.474 45.100 0.098 0.000 0.774 149 G HN 0.744 nan 8.290 nan 0.000 0.591 150 L N 2.786 124.040 121.223 0.050 0.000 3.186 150 L HA 0.404 4.744 4.340 0.001 0.000 0.292 150 L C 1.627 178.509 176.870 0.020 0.000 1.303 150 L CA -0.017 54.841 54.840 0.030 0.000 0.940 150 L CB 0.246 42.315 42.059 0.017 0.000 1.358 150 L HN 0.927 nan 8.230 nan 0.000 0.581 151 G N -0.321 108.494 108.800 0.026 0.000 2.712 151 G HA2 -0.032 3.928 3.960 0.001 0.000 0.258 151 G HA3 -0.032 3.928 3.960 0.001 0.000 0.258 151 G C 0.842 175.735 174.900 -0.012 0.000 1.241 151 G CA -0.192 44.915 45.100 0.013 0.000 0.923 151 G HN 0.309 nan 8.290 nan 0.000 0.548 152 R N -0.598 119.894 120.500 -0.013 0.000 2.103 152 R HA -0.095 4.245 4.340 0.001 0.000 0.242 152 R C 2.522 178.787 176.300 -0.058 0.000 1.142 152 R CA 1.627 57.713 56.100 -0.024 0.000 0.960 152 R CB -0.634 29.650 30.300 -0.027 0.000 0.858 152 R HN 0.616 nan 8.270 nan 0.000 0.439 153 I N -0.757 119.765 120.570 -0.080 0.000 2.226 153 I HA -0.170 4.001 4.170 0.001 0.000 0.245 153 I C 2.286 178.227 176.117 -0.294 0.000 1.100 153 I CA 1.570 62.785 61.300 -0.141 0.000 1.374 153 I CB -0.751 37.187 38.000 -0.103 0.000 1.057 153 I HN 0.404 nan 8.210 nan 0.000 0.413 154 G N 0.337 108.940 108.800 -0.328 0.000 2.422 154 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 154 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 154 G C 1.565 176.358 174.900 -0.178 0.000 1.146 154 G CA 0.412 45.255 45.100 -0.427 0.000 0.769 154 G HN 0.452 nan 8.290 nan 0.000 0.547 155 Q N -0.104 119.644 119.800 -0.088 0.000 2.083 155 Q HA 0.118 4.459 4.340 0.001 0.000 0.198 155 Q C 2.620 178.608 176.000 -0.020 0.000 0.969 155 Q CA 0.609 56.395 55.803 -0.028 0.000 0.838 155 Q CB -0.297 28.440 28.738 -0.001 0.000 0.900 155 Q HN 0.387 nan 8.270 nan 0.000 0.436 156 L N 0.276 121.481 121.223 -0.031 0.000 2.012 156 L HA -0.206 4.134 4.340 0.001 0.000 0.210 156 L C 2.424 179.295 176.870 0.002 0.000 1.073 156 L CA 1.022 55.867 54.840 0.009 0.000 0.748 156 L CB -0.664 41.412 42.059 0.029 0.000 0.891 156 L HN 0.130 nan 8.230 nan 0.000 0.431 157 V N 0.187 120.065 119.914 -0.060 0.000 2.295 157 V HA -0.323 3.797 4.120 0.001 0.000 0.246 157 V C 2.815 178.913 176.094 0.008 0.000 1.049 157 V CA 1.828 64.108 62.300 -0.034 0.000 1.024 157 V CB -0.838 30.924 31.823 -0.102 0.000 0.648 157 V HN 0.509 nan 8.190 nan 0.000 0.447 158 A N -0.871 121.949 122.820 0.001 0.000 1.915 158 A HA -0.375 3.946 4.320 0.001 0.000 0.220 158 A C 2.140 179.749 177.584 0.042 0.000 1.198 158 A CA 2.543 54.599 52.037 0.032 0.000 0.647 158 A CB -0.575 18.445 19.000 0.033 0.000 0.825 158 A HN 0.680 nan 8.150 nan 0.000 0.456 159 Q N -1.426 118.398 119.800 0.039 0.000 2.083 159 Q HA -0.123 4.218 4.340 0.001 0.000 0.198 159 Q C 2.380 178.419 176.000 0.066 0.000 0.969 159 Q CA 1.315 57.147 55.803 0.048 0.000 0.838 159 Q CB -0.123 28.642 28.738 0.044 0.000 0.900 159 Q HN 0.630 nan 8.270 nan 0.000 0.436 160 R N 0.562 121.111 120.500 0.081 0.000 2.091 160 R HA -0.119 4.222 4.340 0.001 0.000 0.238 160 R C 2.156 178.595 176.300 0.231 0.000 1.136 160 R CA 1.415 57.596 56.100 0.136 0.000 0.959 160 R CB -0.249 30.133 30.300 0.137 0.000 0.856 160 R HN 0.276 nan 8.270 nan 0.000 0.437 161 I N -0.079 120.583 120.570 0.153 0.000 2.439 161 I HA -0.156 4.015 4.170 0.001 0.000 0.251 161 I C 2.366 178.602 176.117 0.199 0.000 1.139 161 I CA 0.926 62.324 61.300 0.163 0.000 1.438 161 I CB -0.518 37.470 38.000 -0.019 0.000 1.085 161 I HN 0.180 nan 8.210 nan 0.000 0.427 162 A N 1.261 124.145 122.820 0.107 0.000 2.032 162 A HA -0.180 4.141 4.320 0.001 0.000 0.221 162 A C 2.495 180.115 177.584 0.061 0.000 1.165 162 A CA 1.936 54.007 52.037 0.055 0.000 0.645 162 A CB -0.619 18.398 19.000 0.029 0.000 0.807 162 A HN 0.462 nan 8.150 nan 0.000 0.453 163 A N -1.645 121.222 122.820 0.078 0.000 2.119 163 A HA 0.186 4.507 4.320 0.001 0.000 0.217 163 A C 1.590 179.108 177.584 -0.110 0.000 1.153 163 A CA 0.807 52.820 52.037 -0.039 0.000 0.692 163 A CB -0.627 18.305 19.000 -0.114 0.000 0.799 163 A HN 0.455 nan 8.150 nan 0.000 0.458 164 F N -0.398 119.551 119.950 -0.002 0.000 2.748 164 F HA 0.262 4.790 4.527 0.001 0.000 0.299 164 F C 1.897 177.784 175.800 0.144 0.000 1.154 164 F CA 0.834 58.854 58.000 0.034 0.000 1.446 164 F CB -0.113 38.879 39.000 -0.014 0.000 1.112 164 F HN 0.362 nan 8.300 nan 0.000 0.584 165 G N -0.024 108.901 108.800 0.209 0.000 2.131 165 G HA2 -0.074 3.887 3.960 0.001 0.000 0.223 165 G HA3 -0.074 3.887 3.960 0.001 0.000 0.223 165 G C 0.227 175.030 174.900 -0.162 0.000 0.990 165 G CA -0.203 44.980 45.100 0.139 0.000 0.671 165 G HN 0.629 nan 8.290 nan 0.000 0.521 166 A N -0.538 122.227 122.820 -0.090 0.000 2.286 166 A HA 0.789 5.109 4.320 0.001 0.000 0.286 166 A C -0.141 177.326 177.584 -0.196 0.000 1.097 166 A CA -0.503 51.459 52.037 -0.125 0.000 0.821 166 A CB 0.581 19.559 19.000 -0.037 0.000 1.076 166 A HN 0.632 nan 8.150 nan 0.000 0.490 167 Y N 0.255 120.547 120.300 -0.014 0.000 2.308 167 Y HA 0.438 4.988 4.550 0.001 0.000 0.329 167 Y C 0.210 176.122 175.900 0.020 0.000 1.111 167 Y CA -0.293 57.809 58.100 0.002 0.000 1.179 167 Y CB 1.433 39.891 38.460 -0.004 0.000 1.201 167 Y HN 0.303 nan 8.280 nan 0.000 0.483 168 V N 5.008 125.023 119.914 0.168 0.000 2.384 168 V HA 0.437 4.558 4.120 0.001 0.000 0.287 168 V C -0.270 175.895 176.094 0.118 0.000 1.020 168 V CA -0.876 61.497 62.300 0.122 0.000 0.850 168 V CB 1.065 32.938 31.823 0.083 0.000 0.987 168 V HN 0.630 nan 8.190 nan 0.000 0.436 169 V N 2.250 122.231 119.914 0.111 0.000 2.850 169 V HA 1.080 5.200 4.120 0.001 0.000 0.315 169 V C 0.012 176.166 176.094 0.100 0.000 1.064 169 V CA -0.543 61.813 62.300 0.093 0.000 0.979 169 V CB 1.604 33.475 31.823 0.080 0.000 1.039 169 V HN 1.196 nan 8.190 nan 0.000 0.452 170 A N 2.163 125.044 122.820 0.102 0.000 2.606 170 A HA 0.739 5.059 4.320 0.001 0.000 0.293 170 A C -1.850 175.827 177.584 0.156 0.000 1.082 170 A CA -0.603 51.508 52.037 0.123 0.000 0.685 170 A CB 1.667 20.724 19.000 0.095 0.000 1.284 170 A HN 1.617 nan 8.150 nan 0.000 0.408 171 Y N 1.636 121.962 120.300 0.043 0.000 2.328 171 Y HA 0.656 5.206 4.550 0.001 0.000 0.337 171 Y C -0.862 175.061 175.900 0.038 0.000 0.966 171 Y CA -0.843 57.275 58.100 0.030 0.000 1.136 171 Y CB 1.396 39.872 38.460 0.027 0.000 1.170 171 Y HN 0.673 nan 8.280 nan 0.000 0.470 172 D N 8.355 128.411 120.400 -0.573 0.000 2.227 172 D HA 0.102 4.742 4.640 0.001 0.000 0.176 172 D C -2.658 173.415 176.300 -0.378 0.000 1.228 172 D CA -0.792 52.890 54.000 -0.529 0.000 1.043 172 D CB 1.435 42.118 40.800 -0.195 0.000 1.758 172 D HN 0.341 nan 8.370 nan 0.000 0.544 173 P HA 0.052 nan 4.420 nan 0.000 0.237 173 P C 0.691 177.665 177.300 -0.543 0.000 1.178 173 P CA 0.533 63.358 63.100 -0.458 0.000 0.766 173 P CB -0.034 31.352 31.700 -0.522 0.000 0.876 174 Y N -1.520 118.713 120.300 -0.112 0.000 2.458 174 Y HA 0.203 4.753 4.550 0.001 0.000 0.256 174 Y C 1.209 177.077 175.900 -0.053 0.000 1.159 174 Y CA -0.479 57.582 58.100 -0.066 0.000 1.261 174 Y CB 0.066 38.493 38.460 -0.056 0.000 1.119 174 Y HN -0.247 nan 8.280 nan 0.000 0.524 175 V N 0.572 120.499 119.914 0.022 0.000 2.649 175 V HA 0.167 4.288 4.120 0.001 0.000 0.292 175 V C 0.552 176.650 176.094 0.007 0.000 1.055 175 V CA -0.468 61.843 62.300 0.019 0.000 1.023 175 V CB 1.465 33.287 31.823 -0.001 0.000 0.992 175 V HN 0.234 nan 8.190 nan 0.000 0.480 176 S N 7.420 123.130 115.700 0.018 0.000 2.555 176 S HA 0.138 4.608 4.470 0.001 0.000 0.293 176 S C -1.411 173.194 174.600 0.008 0.000 1.248 176 S CA -0.583 57.624 58.200 0.012 0.000 1.096 176 S CB 0.770 63.980 63.200 0.017 0.000 0.881 176 S HN 0.736 nan 8.310 nan 0.000 0.498 177 P HA -0.096 nan 4.420 nan 0.000 0.215 177 P C 1.414 178.721 177.300 0.012 0.000 1.153 177 P CA 1.506 64.608 63.100 0.003 0.000 0.853 177 P CB -0.002 31.697 31.700 -0.002 0.000 0.788 178 A N 0.216 123.044 122.820 0.013 0.000 1.859 178 A HA -0.287 4.033 4.320 0.001 0.000 0.217 178 A C 2.428 180.028 177.584 0.025 0.000 1.198 178 A CA 2.564 54.613 52.037 0.019 0.000 0.629 178 A CB -1.361 17.652 19.000 0.021 0.000 0.830 178 A HN 0.030 nan 8.150 nan 0.000 0.446 179 R N 0.189 120.706 120.500 0.029 0.000 2.103 179 R HA -0.107 4.233 4.340 0.001 0.000 0.242 179 R C 2.124 178.443 176.300 0.032 0.000 1.142 179 R CA 2.259 58.380 56.100 0.036 0.000 0.960 179 R CB -0.992 29.331 30.300 0.038 0.000 0.858 179 R HN 0.424 nan 8.270 nan 0.000 0.439 180 A N 0.266 123.101 122.820 0.026 0.000 1.883 180 A HA -0.059 4.261 4.320 0.001 0.000 0.217 180 A C 2.435 180.037 177.584 0.030 0.000 1.186 180 A CA 1.988 54.041 52.037 0.027 0.000 0.624 180 A CB -1.213 17.800 19.000 0.022 0.000 0.822 180 A HN 0.537 nan 8.150 nan 0.000 0.444 181 A N -1.179 121.658 122.820 0.027 0.000 1.972 181 A HA -0.167 4.154 4.320 0.001 0.000 0.219 181 A C 2.071 179.672 177.584 0.028 0.000 1.169 181 A CA 1.484 53.538 52.037 0.028 0.000 0.635 181 A CB -0.449 18.565 19.000 0.023 0.000 0.810 181 A HN 0.576 nan 8.150 nan 0.000 0.446 182 Q N -0.566 119.251 119.800 0.029 0.000 2.224 182 Q HA -0.027 4.313 4.340 0.001 0.000 0.203 182 Q C 1.657 177.676 176.000 0.032 0.000 0.970 182 Q CA 0.918 56.739 55.803 0.030 0.000 0.865 182 Q CB -0.212 28.547 28.738 0.034 0.000 0.922 182 Q HN 0.703 nan 8.270 nan 0.000 0.445 183 L N -0.663 120.581 121.223 0.035 0.000 2.599 183 L HA 0.102 4.442 4.340 0.001 0.000 0.230 183 L C 1.006 177.898 176.870 0.037 0.000 1.141 183 L CA 0.421 55.283 54.840 0.036 0.000 0.877 183 L CB -0.031 42.050 42.059 0.036 0.000 1.009 183 L HN 0.289 nan 8.230 nan 0.000 0.447 184 G N 0.906 109.728 108.800 0.037 0.000 2.149 184 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 184 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 184 G C 0.014 174.947 174.900 0.054 0.000 1.018 184 G CA -0.226 44.898 45.100 0.041 0.000 0.728 184 G HN 0.271 nan 8.290 nan 0.000 0.508 185 I N 0.026 120.627 120.570 0.052 0.000 2.474 185 I HA 0.384 4.554 4.170 0.001 0.000 0.294 185 I C 0.249 176.399 176.117 0.056 0.000 1.005 185 I CA -0.797 60.539 61.300 0.059 0.000 1.113 185 I CB 2.010 40.041 38.000 0.052 0.000 1.289 185 I HN 0.162 nan 8.210 nan 0.000 0.436 186 E N 6.714 126.952 120.200 0.064 0.000 2.115 186 E HA 0.365 4.716 4.350 0.001 0.000 0.282 186 E C -1.035 175.597 176.600 0.054 0.000 0.987 186 E CA -0.616 55.817 56.400 0.054 0.000 0.797 186 E CB 1.008 30.741 29.700 0.055 0.000 1.086 186 E HN 0.481 nan 8.360 nan 0.000 0.397 187 L N 4.980 126.229 121.223 0.044 0.000 2.380 187 L HA 0.215 4.555 4.340 0.001 0.000 0.273 187 L C -0.322 176.583 176.870 0.058 0.000 1.138 187 L CA -0.237 54.632 54.840 0.048 0.000 0.832 187 L CB 0.266 42.341 42.059 0.026 0.000 1.124 187 L HN 0.476 nan 8.230 nan 0.000 0.454 188 L N 1.580 122.859 121.223 0.093 0.000 2.403 188 L HA 0.444 4.785 4.340 0.001 0.000 0.253 188 L C 0.037 176.999 176.870 0.152 0.000 1.045 188 L CA -0.398 54.497 54.840 0.092 0.000 0.845 188 L CB 2.239 44.343 42.059 0.075 0.000 1.447 188 L HN 0.675 nan 8.230 nan 0.000 0.411 189 S N 0.200 115.951 115.700 0.085 0.000 2.603 189 S HA 0.210 4.681 4.470 0.001 0.000 0.268 189 S C 0.980 175.518 174.600 -0.104 0.000 1.317 189 S CA -0.275 57.949 58.200 0.040 0.000 1.012 189 S CB 0.550 63.738 63.200 -0.020 0.000 0.926 189 S HN 0.564 nan 8.310 nan 0.000 0.539 190 L N 0.996 121.925 121.223 -0.490 0.000 2.191 190 L HA 0.001 4.341 4.340 0.001 0.000 0.212 190 L C 1.641 178.362 176.870 -0.248 0.000 1.103 190 L CA 1.877 56.373 54.840 -0.573 0.000 0.769 190 L CB -1.354 40.132 42.059 -0.955 0.000 0.908 190 L HN 0.794 nan 8.230 nan 0.000 0.438 191 D N -0.157 120.129 120.400 -0.189 0.000 2.078 191 D HA -0.176 4.464 4.640 0.001 0.000 0.193 191 D C 1.790 178.052 176.300 -0.064 0.000 0.990 191 D CA 1.572 55.508 54.000 -0.106 0.000 0.827 191 D CB -0.112 40.638 40.800 -0.083 0.000 0.975 191 D HN 0.363 nan 8.370 nan 0.000 0.451 192 D N 0.226 120.598 120.400 -0.047 0.000 2.097 192 D HA -0.116 4.524 4.640 0.001 0.000 0.195 192 D C 2.254 178.550 176.300 -0.007 0.000 0.989 192 D CA 0.219 54.207 54.000 -0.020 0.000 0.827 192 D CB -0.532 40.263 40.800 -0.008 0.000 0.966 192 D HN 0.174 nan 8.370 nan 0.000 0.456 193 L N 0.247 121.471 121.223 0.002 0.000 2.051 193 L HA -0.230 4.111 4.340 0.001 0.000 0.214 193 L C 2.030 178.909 176.870 0.014 0.000 1.076 193 L CA 1.197 56.052 54.840 0.025 0.000 0.758 193 L CB -0.108 41.984 42.059 0.054 0.000 0.890 193 L HN 0.015 nan 8.230 nan 0.000 0.433 194 L N 0.020 121.235 121.223 -0.012 0.000 2.093 194 L HA -0.119 4.222 4.340 0.001 0.000 0.208 194 L C 2.808 179.684 176.870 0.009 0.000 1.085 194 L CA 1.934 56.770 54.840 -0.005 0.000 0.755 194 L CB -1.683 40.357 42.059 -0.031 0.000 0.904 194 L HN 0.384 nan 8.230 nan 0.000 0.435 195 A N -0.828 121.991 122.820 -0.001 0.000 1.930 195 A HA -0.163 4.157 4.320 0.001 0.000 0.217 195 A C 2.387 179.976 177.584 0.008 0.000 1.175 195 A CA 1.345 53.385 52.037 0.005 0.000 0.627 195 A CB -0.298 18.698 19.000 -0.006 0.000 0.815 195 A HN 0.386 nan 8.150 nan 0.000 0.443 196 R N -0.833 119.672 120.500 0.009 0.000 2.290 196 R HA 0.332 4.672 4.340 0.001 0.000 0.197 196 R C 0.575 176.890 176.300 0.025 0.000 0.913 196 R CA 0.339 56.443 56.100 0.007 0.000 1.040 196 R CB 0.079 30.379 30.300 -0.001 0.000 0.992 196 R HN 0.414 nan 8.270 nan 0.000 0.500 197 A N 1.212 124.055 122.820 0.038 0.000 2.401 197 A HA 0.090 4.410 4.320 0.001 0.000 0.259 197 A C 0.093 177.700 177.584 0.039 0.000 1.103 197 A CA -0.299 51.776 52.037 0.064 0.000 0.789 197 A CB 0.398 19.443 19.000 0.075 0.000 1.035 197 A HN 0.129 nan 8.150 nan 0.000 0.491 198 D N 0.846 121.294 120.400 0.080 0.000 2.338 198 D HA 0.147 4.788 4.640 0.001 0.000 0.208 198 D C -0.545 175.617 176.300 -0.231 0.000 0.997 198 D CA 1.135 55.111 54.000 -0.040 0.000 0.880 198 D CB 0.251 41.088 40.800 0.062 0.000 0.980 198 D HN 0.504 nan 8.370 nan 0.000 0.509 199 F N 0.310 120.264 119.950 0.006 0.000 2.593 199 F HA 0.519 5.046 4.527 0.001 0.000 0.320 199 F C -0.083 175.723 175.800 0.009 0.000 1.060 199 F CA -0.982 57.018 58.000 -0.001 0.000 0.940 199 F CB 2.068 41.061 39.000 -0.011 0.000 1.268 199 F HN -0.356 nan 8.300 nan 0.000 0.475 200 I N 1.235 121.917 120.570 0.187 0.000 2.607 200 I HA 0.386 4.556 4.170 0.001 0.000 0.290 200 I C -1.006 175.157 176.117 0.077 0.000 1.129 200 I CA -0.604 60.764 61.300 0.114 0.000 1.042 200 I CB 2.202 40.240 38.000 0.063 0.000 1.242 200 I HN 0.476 nan 8.210 nan 0.000 0.421 201 S N 5.480 121.215 115.700 0.058 0.000 2.532 201 S HA 0.750 5.220 4.470 0.001 0.000 0.299 201 S C -0.818 173.680 174.600 -0.170 0.000 1.105 201 S CA -0.552 57.623 58.200 -0.040 0.000 1.018 201 S CB 1.555 64.809 63.200 0.089 0.000 1.021 201 S HN 0.489 nan 8.310 nan 0.000 0.483 202 V N 3.094 122.784 119.914 -0.373 0.000 2.581 202 V HA 0.809 4.929 4.120 0.001 0.000 0.303 202 V C -1.056 174.697 176.094 -0.568 0.000 1.041 202 V CA -0.415 61.712 62.300 -0.290 0.000 0.907 202 V CB 1.068 32.819 31.823 -0.120 0.000 0.994 202 V HN 1.035 nan 8.190 nan 0.000 0.442 203 H N 2.203 121.297 119.070 0.040 0.000 3.008 203 H HA 0.601 5.157 4.556 0.001 0.000 0.354 203 H C -0.731 174.615 175.328 0.031 0.000 1.252 203 H CA -0.963 55.104 56.048 0.032 0.000 1.117 203 H CB 1.816 31.598 29.762 0.034 0.000 1.857 203 H HN 0.790 nan 8.280 nan 0.000 0.547 204 L N 3.322 124.648 121.223 0.172 0.000 2.540 204 L HA 0.093 4.433 4.340 0.001 0.000 0.276 204 L C -2.089 174.836 176.870 0.091 0.000 1.212 204 L CA -1.348 53.550 54.840 0.098 0.000 0.893 204 L CB -0.193 41.909 42.059 0.072 0.000 1.138 204 L HN 0.341 nan 8.230 nan 0.000 0.491 205 P HA 0.084 nan 4.420 nan 0.000 0.286 205 P C 0.131 177.452 177.300 0.035 0.000 1.293 205 P CA -0.621 62.508 63.100 0.049 0.000 0.770 205 P CB 0.638 32.365 31.700 0.044 0.000 1.206 206 K N -0.951 119.471 120.400 0.037 0.000 2.155 206 K HA 0.021 4.342 4.320 0.001 0.000 0.203 206 K C 0.113 176.710 176.600 -0.005 0.000 1.052 206 K CA 1.580 57.885 56.287 0.030 0.000 0.948 206 K CB -0.744 31.790 32.500 0.056 0.000 0.728 206 K HN 0.259 nan 8.250 nan 0.000 0.448 207 T N 4.262 118.795 114.554 -0.035 0.000 2.821 207 T HA 0.307 4.657 4.350 0.001 0.000 0.307 207 T C -2.852 171.800 174.700 -0.079 0.000 1.034 207 T CA -1.843 60.181 62.100 -0.127 0.000 0.953 207 T CB 1.571 70.222 68.868 -0.362 0.000 0.968 207 T HN 0.095 nan 8.240 nan 0.000 0.462 208 P HA 0.198 nan 4.420 nan 0.000 0.264 208 P C 0.129 177.417 177.300 -0.021 0.000 1.229 208 P CA 0.259 63.346 63.100 -0.021 0.000 0.780 208 P CB 0.416 32.106 31.700 -0.016 0.000 0.808 209 E N 0.802 121.001 120.200 -0.001 0.000 2.596 209 E HA -0.171 4.179 4.350 0.001 0.000 0.272 209 E C 0.858 177.459 176.600 0.002 0.000 1.039 209 E CA 1.223 57.627 56.400 0.007 0.000 0.804 209 E CB -2.260 27.442 29.700 0.004 0.000 1.373 209 E HN 0.539 nan 8.360 nan 0.000 0.404 210 T N -1.818 112.737 114.554 0.002 0.000 2.904 210 T HA 0.206 4.557 4.350 0.001 0.000 0.267 210 T C 1.022 175.774 174.700 0.087 0.000 1.059 210 T CA 0.850 62.976 62.100 0.044 0.000 1.137 210 T CB -0.200 68.725 68.868 0.095 0.000 0.879 210 T HN 0.612 nan 8.240 nan 0.000 0.467 211 A N 0.432 123.298 122.820 0.077 0.000 2.624 211 A HA 0.477 4.797 4.320 0.001 0.000 0.231 211 A C 0.930 178.560 177.584 0.077 0.000 1.034 211 A CA 0.602 52.692 52.037 0.088 0.000 0.754 211 A CB -0.540 18.498 19.000 0.065 0.000 0.953 211 A HN 0.743 nan 8.150 nan 0.000 0.509 212 G N -0.050 108.802 108.800 0.086 0.000 3.243 212 G HA2 0.553 4.514 3.960 0.001 0.000 0.248 212 G HA3 0.553 4.514 3.960 0.001 0.000 0.248 212 G C -1.003 173.923 174.900 0.044 0.000 1.267 212 G CA -0.730 44.405 45.100 0.059 0.000 0.906 212 G HN 0.699 nan 8.290 nan 0.000 0.592 213 L N 0.183 121.422 121.223 0.027 0.000 2.360 213 L HA 0.544 4.885 4.340 0.001 0.000 0.271 213 L C -0.336 176.537 176.870 0.005 0.000 1.057 213 L CA -0.768 54.080 54.840 0.012 0.000 0.803 213 L CB 1.647 43.708 42.059 0.004 0.000 1.207 213 L HN 0.197 nan 8.230 nan 0.000 0.445 214 I N 3.128 123.697 120.570 -0.001 0.000 2.287 214 I HA 0.221 4.391 4.170 0.001 0.000 0.290 214 I C -0.288 175.820 176.117 -0.015 0.000 1.069 214 I CA -0.649 60.645 61.300 -0.011 0.000 1.237 214 I CB -0.012 37.983 38.000 -0.009 0.000 1.418 214 I HN 0.561 nan 8.210 nan 0.000 0.481 215 D N 5.627 126.014 120.400 -0.021 0.000 2.616 215 D HA 0.347 4.987 4.640 0.001 0.000 0.260 215 D C 0.927 177.206 176.300 -0.033 0.000 1.158 215 D CA -0.732 53.254 54.000 -0.023 0.000 1.085 215 D CB 0.891 41.679 40.800 -0.021 0.000 1.222 215 D HN 0.086 nan 8.370 nan 0.000 0.626 216 K N -0.214 120.165 120.400 -0.034 0.000 2.023 216 K HA -0.334 3.987 4.320 0.001 0.000 0.227 216 K C 1.757 178.318 176.600 -0.065 0.000 1.054 216 K CA 2.355 58.613 56.287 -0.047 0.000 0.977 216 K CB -0.287 32.189 32.500 -0.040 0.000 0.733 216 K HN 0.635 nan 8.250 nan 0.000 0.451 217 E N 0.046 120.213 120.200 -0.056 0.000 2.097 217 E HA -0.242 4.108 4.350 0.001 0.000 0.196 217 E C 1.858 178.415 176.600 -0.072 0.000 1.000 217 E CA 1.378 57.740 56.400 -0.063 0.000 0.804 217 E CB -0.041 29.630 29.700 -0.049 0.000 0.740 217 E HN 0.410 nan 8.360 nan 0.000 0.454 218 A N 0.622 123.404 122.820 -0.063 0.000 1.898 218 A HA -0.072 4.248 4.320 0.001 0.000 0.214 218 A C 2.065 179.609 177.584 -0.067 0.000 1.183 218 A CA 0.570 52.569 52.037 -0.064 0.000 0.622 218 A CB -0.340 18.628 19.000 -0.054 0.000 0.824 218 A HN 0.260 nan 8.150 nan 0.000 0.444 219 L N -0.077 121.108 121.223 -0.063 0.000 2.042 219 L HA -0.162 4.178 4.340 0.001 0.000 0.210 219 L C 2.775 179.543 176.870 -0.170 0.000 1.076 219 L CA 1.980 56.784 54.840 -0.061 0.000 0.749 219 L CB -1.551 40.481 42.059 -0.044 0.000 0.893 219 L HN 0.435 nan 8.230 nan 0.000 0.432 220 A N -1.575 121.110 122.820 -0.225 0.000 2.248 220 A HA -0.142 4.178 4.320 0.001 0.000 0.210 220 A C 2.180 179.606 177.584 -0.262 0.000 1.174 220 A CA 0.886 52.708 52.037 -0.358 0.000 0.750 220 A CB -0.425 18.433 19.000 -0.237 0.000 0.780 220 A HN 0.368 nan 8.150 nan 0.000 0.478 221 K N -0.168 120.143 120.400 -0.148 0.000 2.353 221 K HA 0.042 4.363 4.320 0.001 0.000 0.195 221 K C 0.519 177.115 176.600 -0.007 0.000 1.031 221 K CA 0.608 56.850 56.287 -0.074 0.000 1.079 221 K CB 0.332 32.795 32.500 -0.062 0.000 0.857 221 K HN 0.634 nan 8.250 nan 0.000 0.535 222 T N -0.906 113.675 114.554 0.045 0.000 2.816 222 T HA 0.210 4.561 4.350 0.001 0.000 0.282 222 T C 0.215 175.089 174.700 0.289 0.000 0.993 222 T CA -0.733 61.454 62.100 0.146 0.000 0.994 222 T CB 1.199 70.166 68.868 0.165 0.000 1.025 222 T HN -0.133 nan 8.240 nan 0.000 0.529 223 K N 2.159 122.637 120.400 0.130 0.000 2.448 223 K HA 0.181 4.501 4.320 0.001 0.000 0.278 223 K C -2.395 174.103 176.600 -0.170 0.000 1.009 223 K CA -1.224 55.081 56.287 0.029 0.000 0.995 223 K CB 0.120 32.595 32.500 -0.040 0.000 0.917 223 K HN 0.448 nan 8.250 nan 0.000 0.481 224 P HA 0.039 nan 4.420 nan 0.000 0.275 224 P C 0.034 177.080 177.300 -0.423 0.000 1.227 224 P CA 0.167 62.768 63.100 -0.831 0.000 0.781 224 P CB 0.794 32.200 31.700 -0.490 0.000 0.906 225 G N 0.907 109.463 108.800 -0.407 0.000 2.165 225 G HA2 -0.121 3.839 3.960 0.001 0.000 0.226 225 G HA3 -0.121 3.839 3.960 0.001 0.000 0.226 225 G C 0.040 174.778 174.900 -0.270 0.000 1.035 225 G CA -0.020 44.921 45.100 -0.264 0.000 0.744 225 G HN 0.572 nan 8.290 nan 0.000 0.501 226 V N -1.589 118.171 119.914 -0.256 0.000 3.036 226 V HA 0.810 4.931 4.120 0.001 0.000 0.308 226 V C 0.928 176.874 176.094 -0.246 0.000 1.070 226 V CA -1.215 60.942 62.300 -0.239 0.000 1.056 226 V CB 1.739 33.494 31.823 -0.114 0.000 1.084 226 V HN 0.330 nan 8.190 nan 0.000 0.471 227 I N 2.978 123.367 120.570 -0.302 0.000 2.447 227 I HA 0.454 4.624 4.170 0.001 0.000 0.287 227 I C -0.944 175.152 176.117 -0.035 0.000 1.023 227 I CA -0.442 60.745 61.300 -0.190 0.000 1.083 227 I CB 1.807 39.630 38.000 -0.295 0.000 1.245 227 I HN 0.433 nan 8.210 nan 0.000 0.434 228 I N 6.765 127.332 120.570 -0.004 0.000 2.412 228 I HA 0.503 4.673 4.170 0.001 0.000 0.296 228 I C -0.117 176.009 176.117 0.015 0.000 0.987 228 I CA -0.820 60.488 61.300 0.015 0.000 1.180 228 I CB 1.890 39.892 38.000 0.005 0.000 1.340 228 I HN 0.156 nan 8.210 nan 0.000 0.455 229 V N 5.197 125.113 119.914 0.003 0.000 2.588 229 V HA 0.420 4.540 4.120 0.001 0.000 0.304 229 V C -0.362 175.680 176.094 -0.087 0.000 1.042 229 V CA -0.648 61.635 62.300 -0.029 0.000 0.877 229 V CB 2.259 34.074 31.823 -0.013 0.000 0.996 229 V HN 0.776 nan 8.190 nan 0.000 0.425 230 N N 3.109 121.750 118.700 -0.098 0.000 2.573 230 N HA 0.570 5.311 4.740 0.001 0.000 0.262 230 N C 0.094 175.525 175.510 -0.130 0.000 1.029 230 N CA 0.009 52.975 53.050 -0.140 0.000 0.882 230 N CB 1.890 40.299 38.487 -0.130 0.000 1.204 230 N HN 0.739 nan 8.380 nan 0.000 0.519 231 A N 2.252 125.014 122.820 -0.096 0.000 2.348 231 A HA 0.511 4.831 4.320 0.001 0.000 0.224 231 A C 1.536 179.121 177.584 0.001 0.000 1.227 231 A CA 0.595 52.625 52.037 -0.011 0.000 0.885 231 A CB -0.055 19.007 19.000 0.103 0.000 0.933 231 A HN 0.621 nan 8.150 nan 0.000 0.506 232 A N 0.809 123.601 122.820 -0.047 0.000 1.844 232 A HA 0.400 4.720 4.320 0.001 0.000 0.212 232 A C 1.173 178.735 177.584 -0.036 0.000 1.221 232 A CA 1.294 53.334 52.037 0.005 0.000 0.607 232 A CB -0.034 18.964 19.000 -0.003 0.000 0.878 232 A HN 0.701 nan 8.150 nan 0.000 0.451 233 R N -4.095 116.355 120.500 -0.082 0.000 2.634 233 R HA 0.486 4.827 4.340 0.001 0.000 0.263 233 R C 0.743 176.978 176.300 -0.110 0.000 1.060 233 R CA -0.000 56.043 56.100 -0.094 0.000 0.898 233 R CB 0.088 30.369 30.300 -0.032 0.000 1.253 233 R HN 1.020 nan 8.270 nan 0.000 0.461 234 G N 1.425 110.156 108.800 -0.114 0.000 2.787 234 G HA2 -0.398 3.563 3.960 0.001 0.000 0.374 234 G HA3 -0.398 3.563 3.960 0.001 0.000 0.374 234 G C 0.682 175.550 174.900 -0.052 0.000 1.003 234 G CA 0.912 45.974 45.100 -0.063 0.000 0.833 234 G HN 1.270 nan 8.290 nan 0.000 0.824 235 G N -1.033 107.754 108.800 -0.022 0.000 4.222 235 G HA2 0.506 4.466 3.960 0.001 0.000 0.301 235 G HA3 0.506 4.466 3.960 0.001 0.000 0.301 235 G C 1.219 176.108 174.900 -0.018 0.000 1.171 235 G CA 0.384 45.475 45.100 -0.014 0.000 0.937 235 G HN 0.531 nan 8.290 nan 0.000 0.557 236 L N -0.251 120.954 121.223 -0.030 0.000 2.270 236 L HA -0.051 4.290 4.340 0.001 0.000 0.217 236 L C 0.378 177.238 176.870 -0.018 0.000 1.107 236 L CA 0.925 55.752 54.840 -0.020 0.000 0.772 236 L CB 0.072 42.111 42.059 -0.033 0.000 0.902 236 L HN 0.087 nan 8.230 nan 0.000 0.439 237 V N -1.057 118.842 119.914 -0.025 0.000 2.531 237 V HA 0.124 4.244 4.120 0.001 0.000 0.301 237 V C -0.691 175.397 176.094 -0.010 0.000 1.034 237 V CA -1.035 61.254 62.300 -0.018 0.000 0.865 237 V CB 1.833 33.642 31.823 -0.024 0.000 0.995 237 V HN -0.047 nan 8.190 nan 0.000 0.424 238 D N 3.259 123.656 120.400 -0.006 0.000 2.346 238 D HA 0.078 4.719 4.640 0.001 0.000 0.267 238 D C 1.296 177.597 176.300 0.003 0.000 1.320 238 D CA 0.381 54.380 54.000 -0.002 0.000 0.951 238 D CB 0.677 41.473 40.800 -0.006 0.000 1.079 238 D HN 0.641 nan 8.370 nan 0.000 0.509 239 E N 2.459 122.666 120.200 0.012 0.000 2.200 239 E HA -0.365 3.985 4.350 0.001 0.000 0.211 239 E C 1.668 178.269 176.600 0.002 0.000 1.048 239 E CA 1.755 58.167 56.400 0.020 0.000 0.851 239 E CB -0.043 29.675 29.700 0.031 0.000 0.747 239 E HN 0.653 nan 8.360 nan 0.000 0.462 240 A N 0.943 123.759 122.820 -0.007 0.000 1.855 240 A HA 0.071 4.391 4.320 0.001 0.000 0.213 240 A C 2.396 179.975 177.584 -0.009 0.000 1.195 240 A CA 1.338 53.368 52.037 -0.013 0.000 0.610 240 A CB -0.776 18.214 19.000 -0.017 0.000 0.837 240 A HN 0.296 nan 8.150 nan 0.000 0.444 241 A N -0.047 122.768 122.820 -0.009 0.000 1.881 241 A HA -0.229 4.091 4.320 0.001 0.000 0.219 241 A C 2.155 179.737 177.584 -0.003 0.000 1.215 241 A CA 2.122 54.153 52.037 -0.011 0.000 0.648 241 A CB -1.008 17.983 19.000 -0.016 0.000 0.832 241 A HN 0.771 nan 8.150 nan 0.000 0.455 242 L N -0.374 120.851 121.223 0.004 0.000 1.997 242 L HA -0.239 4.101 4.340 0.001 0.000 0.216 242 L C 2.802 179.683 176.870 0.019 0.000 1.074 242 L CA 2.723 57.572 54.840 0.015 0.000 0.763 242 L CB -0.841 41.230 42.059 0.020 0.000 0.890 242 L HN 0.424 nan 8.230 nan 0.000 0.434 243 A N -1.138 121.691 122.820 0.015 0.000 1.940 243 A HA -0.248 4.073 4.320 0.001 0.000 0.219 243 A C 1.986 179.578 177.584 0.013 0.000 1.176 243 A CA 2.050 54.096 52.037 0.015 0.000 0.631 243 A CB -0.834 18.168 19.000 0.003 0.000 0.814 243 A HN 0.620 nan 8.150 nan 0.000 0.446 244 D N -0.179 120.225 120.400 0.007 0.000 2.183 244 D HA 0.036 4.676 4.640 0.001 0.000 0.203 244 D C 2.112 178.422 176.300 0.017 0.000 0.969 244 D CA 1.283 55.287 54.000 0.006 0.000 0.842 244 D CB -0.289 40.508 40.800 -0.003 0.000 0.957 244 D HN 0.460 nan 8.370 nan 0.000 0.484 245 A N 0.855 123.689 122.820 0.024 0.000 2.016 245 A HA -0.064 4.256 4.320 0.001 0.000 0.217 245 A C 2.125 179.747 177.584 0.063 0.000 1.162 245 A CA 0.415 52.485 52.037 0.054 0.000 0.662 245 A CB -0.186 18.849 19.000 0.059 0.000 0.812 245 A HN 0.053 nan 8.150 nan 0.000 0.450 246 I N -0.048 120.545 120.570 0.038 0.000 2.094 246 I HA -0.174 3.997 4.170 0.001 0.000 0.234 246 I C 2.565 178.695 176.117 0.021 0.000 1.063 246 I CA 2.078 63.394 61.300 0.027 0.000 1.328 246 I CB -1.819 36.197 38.000 0.026 0.000 1.058 246 I HN 0.223 nan 8.210 nan 0.000 0.400 247 T N 0.944 115.509 114.554 0.018 0.000 2.699 247 T HA -0.142 4.208 4.350 0.001 0.000 0.268 247 T C 1.576 176.285 174.700 0.014 0.000 1.036 247 T CA 1.576 63.683 62.100 0.013 0.000 1.147 247 T CB -0.723 68.151 68.868 0.010 0.000 0.862 247 T HN 0.570 nan 8.240 nan 0.000 0.446 248 G N -0.552 108.262 108.800 0.022 0.000 3.155 248 G HA2 0.374 4.335 3.960 0.001 0.000 0.213 248 G HA3 0.374 4.335 3.960 0.001 0.000 0.213 248 G C 1.166 176.092 174.900 0.043 0.000 1.196 248 G CA 0.434 45.550 45.100 0.026 0.000 0.846 248 G HN 0.762 nan 8.290 nan 0.000 0.516 249 G N -0.479 108.342 108.800 0.035 0.000 2.299 249 G HA2 -0.373 3.587 3.960 0.001 0.000 0.237 249 G HA3 -0.373 3.587 3.960 0.001 0.000 0.237 249 G C 0.983 175.896 174.900 0.022 0.000 1.027 249 G CA 0.900 46.013 45.100 0.022 0.000 0.619 249 G HN 0.605 nan 8.290 nan 0.000 0.513 250 H N 0.351 119.405 119.070 -0.025 0.000 2.395 250 H HA 0.396 4.952 4.556 0.000 0.000 0.299 250 H C 1.102 176.407 175.328 -0.039 0.000 1.070 250 H CA 1.763 57.793 56.048 -0.031 0.000 1.356 250 H CB 0.170 29.915 29.762 -0.028 0.000 1.401 250 H HN 0.308 nan 8.280 nan 0.000 0.524 251 V N 2.009 121.945 119.914 0.038 0.000 2.347 251 V HA 0.155 4.275 4.120 0.001 0.000 0.280 251 V C 1.212 177.271 176.094 -0.058 0.000 1.021 251 V CA -0.237 62.049 62.300 -0.022 0.000 0.847 251 V CB 1.437 33.281 31.823 0.036 0.000 0.990 251 V HN 0.384 nan 8.190 nan 0.000 0.444 252 R N 4.169 124.604 120.500 -0.108 0.000 2.070 252 R HA 0.097 4.437 4.340 0.001 0.000 0.232 252 R C 0.668 176.936 176.300 -0.054 0.000 1.138 252 R CA 1.772 57.816 56.100 -0.093 0.000 0.936 252 R CB 0.103 30.324 30.300 -0.132 0.000 0.839 252 R HN 0.803 nan 8.270 nan 0.000 0.429 253 A N -1.075 121.712 122.820 -0.055 0.000 2.583 253 A HA 0.774 5.094 4.320 0.001 0.000 0.289 253 A C -1.693 175.888 177.584 -0.005 0.000 1.151 253 A CA -0.400 51.628 52.037 -0.015 0.000 0.695 253 A CB 1.701 20.701 19.000 0.000 0.000 1.290 253 A HN 0.450 nan 8.150 nan 0.000 0.419 254 A N -0.934 121.899 122.820 0.021 0.000 2.594 254 A HA 0.861 5.182 4.320 0.001 0.000 0.295 254 A C -0.328 177.277 177.584 0.036 0.000 1.071 254 A CA -0.054 51.998 52.037 0.026 0.000 0.685 254 A CB 1.511 20.529 19.000 0.030 0.000 1.285 254 A HN 2.312 nan 8.150 nan 0.000 0.405 255 G N 0.152 108.964 108.800 0.020 0.000 2.666 255 G HA2 0.614 4.575 3.960 0.001 0.000 0.303 255 G HA3 0.614 4.575 3.960 0.001 0.000 0.303 255 G C -1.822 173.068 174.900 -0.017 0.000 1.412 255 G CA -0.305 44.801 45.100 0.009 0.000 0.979 255 G HN 0.551 nan 8.290 nan 0.000 0.507 256 L N 1.454 122.674 121.223 -0.005 0.000 2.386 256 L HA 0.542 4.882 4.340 0.001 0.000 0.271 256 L C 0.225 177.016 176.870 -0.130 0.000 0.993 256 L CA -0.515 54.262 54.840 -0.105 0.000 0.819 256 L CB 2.527 44.502 42.059 -0.140 0.000 1.294 256 L HN 0.612 nan 8.230 nan 0.000 0.414 257 D N 0.586 120.864 120.400 -0.204 0.000 2.441 257 D HA 0.218 4.858 4.640 0.001 0.000 0.210 257 D C -0.346 175.732 176.300 -0.371 0.000 1.102 257 D CA 0.423 54.368 54.000 -0.091 0.000 0.840 257 D CB 0.869 41.745 40.800 0.127 0.000 0.990 257 D HN 0.197 nan 8.370 nan 0.000 0.505 258 V N -2.402 117.053 119.914 -0.764 0.000 3.130 258 V HA 0.784 4.905 4.120 0.001 0.000 0.310 258 V C -1.224 174.161 176.094 -1.182 0.000 1.158 258 V CA -1.013 60.783 62.300 -0.841 0.000 1.029 258 V CB 1.890 33.393 31.823 -0.533 0.000 1.057 258 V HN -0.117 nan 8.190 nan 0.000 0.436 259 F N -0.019 119.901 119.950 -0.051 0.000 2.619 259 F HA 0.809 5.337 4.527 0.001 0.000 0.308 259 F C 1.218 177.002 175.800 -0.027 0.000 1.097 259 F CA -0.352 57.636 58.000 -0.020 0.000 0.953 259 F CB 1.867 40.874 39.000 0.013 0.000 1.287 259 F HN 0.775 nan 8.300 nan 0.000 0.446 260 A N 0.669 123.574 122.820 0.141 0.000 1.971 260 A HA -0.082 4.238 4.320 0.001 0.000 0.222 260 A C 0.772 178.402 177.584 0.077 0.000 1.182 260 A CA 2.095 54.176 52.037 0.073 0.000 0.649 260 A CB -0.778 18.252 19.000 0.050 0.000 0.818 260 A HN 0.654 nan 8.150 nan 0.000 0.458 261 T N 0.427 115.044 114.554 0.105 0.000 2.937 261 T HA 0.521 4.872 4.350 0.001 0.000 0.297 261 T C -1.108 173.658 174.700 0.110 0.000 0.991 261 T CA -0.470 61.679 62.100 0.082 0.000 0.990 261 T CB 1.565 70.458 68.868 0.041 0.000 0.991 261 T HN 0.403 nan 8.240 nan 0.000 0.440 262 E N 2.765 123.036 120.200 0.118 0.000 2.224 262 E HA 0.480 4.830 4.350 0.001 0.000 0.265 262 E C -2.336 174.326 176.600 0.104 0.000 0.878 262 E CA -1.925 54.562 56.400 0.145 0.000 0.759 262 E CB 1.318 31.145 29.700 0.212 0.000 1.164 262 E HN 0.391 nan 8.360 nan 0.000 0.414 263 P HA 0.063 nan 4.420 nan 0.000 0.268 263 P C -1.096 176.232 177.300 0.046 0.000 1.204 263 P CA -0.457 62.692 63.100 0.082 0.000 0.768 263 P CB 0.464 32.198 31.700 0.057 0.000 0.842 264 C N 2.747 122.055 119.300 0.014 0.000 2.319 264 C HA 0.548 5.009 4.460 0.001 0.000 0.323 264 C C 1.162 176.125 174.990 -0.044 0.000 1.277 264 C CA 0.387 59.338 59.018 -0.112 0.000 1.517 264 C CB -0.131 27.405 27.740 -0.339 0.000 2.206 264 C HN 0.846 nan 8.230 nan 0.000 0.486 265 T N -0.014 114.542 114.554 0.003 0.000 3.144 265 T HA 0.227 4.577 4.350 0.001 0.000 0.290 265 T C 0.300 175.072 174.700 0.120 0.000 0.966 265 T CA 0.434 62.624 62.100 0.150 0.000 0.907 265 T CB -0.108 68.806 68.868 0.076 0.000 1.152 265 T HN 0.777 nan 8.240 nan 0.000 0.532 266 D N 0.147 120.483 120.400 -0.107 0.000 2.538 266 D HA 0.197 4.837 4.640 0.001 0.000 0.241 266 D C 0.508 176.601 176.300 -0.345 0.000 1.297 266 D CA -0.261 53.653 54.000 -0.143 0.000 0.804 266 D CB -0.126 40.625 40.800 -0.081 0.000 1.122 266 D HN 0.279 nan 8.370 nan 0.000 0.519 267 S N 2.060 117.329 115.700 -0.719 0.000 2.599 267 S HA 0.000 4.471 4.470 0.001 0.000 0.303 267 S C -1.087 173.187 174.600 -0.544 0.000 1.267 267 S CA -0.316 57.430 58.200 -0.756 0.000 1.055 267 S CB 0.893 63.383 63.200 -1.183 0.000 0.790 267 S HN 0.048 nan 8.310 nan 0.000 0.500 268 P HA 0.008 nan 4.420 nan 0.000 0.237 268 P C 1.274 178.521 177.300 -0.089 0.000 1.178 268 P CA 0.106 63.123 63.100 -0.137 0.000 0.766 268 P CB 0.054 31.704 31.700 -0.083 0.000 0.876 269 L N -1.002 120.136 121.223 -0.143 0.000 2.275 269 L HA -0.005 4.335 4.340 0.001 0.000 0.215 269 L C 2.257 179.256 176.870 0.214 0.000 1.119 269 L CA 1.317 56.172 54.840 0.025 0.000 0.790 269 L CB -1.779 40.324 42.059 0.073 0.000 0.919 269 L HN -0.030 nan 8.230 nan 0.000 0.443 270 F N -0.531 119.421 119.950 0.004 0.000 2.604 270 F HA -0.095 4.432 4.527 0.000 0.000 0.298 270 F C 1.771 177.574 175.800 0.004 0.000 1.131 270 F CA -0.180 57.819 58.000 -0.001 0.000 1.457 270 F CB 0.082 39.060 39.000 -0.036 0.000 1.095 270 F HN 0.135 nan 8.300 nan 0.000 0.574 271 E N 0.739 121.043 120.200 0.172 0.000 2.489 271 E HA 0.157 4.507 4.350 0.001 0.000 0.193 271 E C 0.140 176.786 176.600 0.077 0.000 1.057 271 E CA 0.328 56.786 56.400 0.098 0.000 0.866 271 E CB 0.077 29.810 29.700 0.054 0.000 0.916 271 E HN 0.368 nan 8.360 nan 0.000 0.500 272 L N 0.402 121.683 121.223 0.097 0.000 2.305 272 L HA 0.430 4.771 4.340 0.001 0.000 0.284 272 L C 0.988 177.902 176.870 0.074 0.000 1.013 272 L CA -0.636 54.247 54.840 0.072 0.000 0.819 272 L CB 1.758 43.856 42.059 0.066 0.000 1.227 272 L HN -0.128 nan 8.230 nan 0.000 0.417 273 A N 1.994 124.843 122.820 0.049 0.000 2.208 273 A HA -0.005 4.315 4.320 0.001 0.000 0.209 273 A C 1.598 179.210 177.584 0.047 0.000 1.161 273 A CA 0.473 52.538 52.037 0.047 0.000 0.782 273 A CB -0.077 18.939 19.000 0.028 0.000 0.816 273 A HN 0.829 nan 8.150 nan 0.000 0.477 274 Q N -0.692 119.132 119.800 0.040 0.000 2.444 274 Q HA 0.174 4.515 4.340 0.001 0.000 0.206 274 Q C -0.311 175.718 176.000 0.048 0.000 0.948 274 Q CA 0.391 56.214 55.803 0.034 0.000 0.946 274 Q CB 0.388 29.136 28.738 0.018 0.000 1.027 274 Q HN 0.337 nan 8.270 nan 0.000 0.513 275 V N 1.097 121.052 119.914 0.068 0.000 2.334 275 V HA 0.278 4.399 4.120 0.001 0.000 0.281 275 V C -0.419 175.734 176.094 0.098 0.000 1.016 275 V CA -0.828 61.526 62.300 0.090 0.000 0.832 275 V CB 1.577 33.476 31.823 0.126 0.000 0.999 275 V HN -0.138 nan 8.190 nan 0.000 0.439 276 V N 6.405 126.367 119.914 0.081 0.000 2.465 276 V HA 0.622 4.743 4.120 0.001 0.000 0.279 276 V C 0.043 176.199 176.094 0.102 0.000 1.045 276 V CA -0.311 62.032 62.300 0.072 0.000 0.938 276 V CB 1.698 33.545 31.823 0.041 0.000 0.986 276 V HN 0.751 nan 8.190 nan 0.000 0.467 277 V N 1.816 121.800 119.914 0.117 0.000 3.007 277 V HA 1.045 5.165 4.120 0.001 0.000 0.311 277 V C -0.438 175.749 176.094 0.155 0.000 1.120 277 V CA -0.377 62.044 62.300 0.201 0.000 0.980 277 V CB 2.218 34.262 31.823 0.369 0.000 1.033 277 V HN 0.972 nan 8.190 nan 0.000 0.429 278 T N -0.569 114.123 114.554 0.230 0.000 2.894 278 T HA 0.686 5.037 4.350 0.001 0.000 0.309 278 T C -3.235 171.646 174.700 0.302 0.000 1.208 278 T CA -1.592 60.637 62.100 0.215 0.000 1.016 278 T CB 2.245 71.270 68.868 0.263 0.000 1.192 278 T HN 0.718 nan 8.240 nan 0.000 0.491 279 P HA 0.246 nan 4.420 nan 0.000 0.219 279 P C 0.005 177.483 177.300 0.297 0.000 1.832 279 P CA 0.146 63.438 63.100 0.319 0.000 1.014 279 P CB -1.288 30.526 31.700 0.190 0.000 1.939 280 H N 0.982 120.133 119.070 0.136 0.000 2.672 280 H HA -0.131 4.425 4.556 0.000 0.000 0.325 280 H C -0.112 175.210 175.328 -0.010 0.000 1.158 280 H CA -0.416 55.664 56.048 0.052 0.000 1.134 280 H CB -0.867 28.938 29.762 0.072 0.000 1.553 280 H HN 0.291 nan 8.280 nan 0.000 0.419 281 L N 0.236 121.495 121.223 0.059 0.000 2.567 281 L HA 0.091 4.431 4.340 0.001 0.000 0.225 281 L C 2.660 179.326 176.870 -0.341 0.000 1.119 281 L CA 0.681 55.430 54.840 -0.151 0.000 0.871 281 L CB -0.022 41.934 42.059 -0.171 0.000 1.036 281 L HN 0.621 nan 8.230 nan 0.000 0.459 282 G N 0.712 109.351 108.800 -0.269 0.000 2.596 282 G HA2 -0.359 3.601 3.960 0.001 0.000 0.223 282 G HA3 -0.359 3.601 3.960 0.001 0.000 0.223 282 G C 1.260 176.099 174.900 -0.101 0.000 1.120 282 G CA 1.040 46.032 45.100 -0.180 0.000 0.752 282 G HN 0.487 nan 8.290 nan 0.000 0.596 283 A N -0.225 122.543 122.820 -0.087 0.000 2.535 283 A HA 0.581 4.901 4.320 0.001 0.000 0.273 283 A C 0.949 178.487 177.584 -0.076 0.000 1.267 283 A CA 0.148 52.146 52.037 -0.065 0.000 0.940 283 A CB 0.433 19.399 19.000 -0.056 0.000 1.101 283 A HN 0.137 nan 8.150 nan 0.000 0.521 284 S N 1.170 116.809 115.700 -0.102 0.000 3.036 284 S HA 0.452 4.923 4.470 0.001 0.000 0.301 284 S C -0.306 174.265 174.600 -0.049 0.000 1.205 284 S CA -0.034 58.121 58.200 -0.075 0.000 0.999 284 S CB 0.020 63.172 63.200 -0.079 0.000 1.337 284 S HN 0.305 nan 8.310 nan 0.000 0.515 285 T N 1.591 116.128 114.554 -0.028 0.000 3.172 285 T HA 0.421 4.772 4.350 0.001 0.000 0.320 285 T C 1.056 175.755 174.700 -0.002 0.000 1.085 285 T CA -0.426 61.668 62.100 -0.009 0.000 1.052 285 T CB 1.425 70.293 68.868 0.001 0.000 1.107 285 T HN 0.382 nan 8.240 nan 0.000 0.458 286 A N 2.820 125.642 122.820 0.002 0.000 1.948 286 A HA -0.119 4.201 4.320 0.001 0.000 0.220 286 A C 1.859 179.449 177.584 0.009 0.000 1.177 286 A CA 2.019 54.059 52.037 0.005 0.000 0.636 286 A CB -0.405 18.598 19.000 0.006 0.000 0.815 286 A HN 0.820 nan 8.150 nan 0.000 0.449 287 E N -0.087 120.122 120.200 0.015 0.000 2.106 287 E HA 0.038 4.388 4.350 0.001 0.000 0.192 287 E C 2.232 178.847 176.600 0.025 0.000 0.984 287 E CA 1.198 57.612 56.400 0.022 0.000 0.806 287 E CB -0.439 29.279 29.700 0.030 0.000 0.750 287 E HN 0.598 nan 8.360 nan 0.000 0.458 288 A N 0.797 123.630 122.820 0.021 0.000 1.898 288 A HA -0.208 4.113 4.320 0.001 0.000 0.216 288 A C 2.054 179.639 177.584 0.002 0.000 1.181 288 A CA 1.198 53.242 52.037 0.013 0.000 0.620 288 A CB -0.318 18.684 19.000 0.003 0.000 0.819 288 A HN 0.081 nan 8.150 nan 0.000 0.442 289 Q N -0.061 119.738 119.800 -0.000 0.000 2.079 289 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 289 Q C 1.810 177.812 176.000 0.004 0.000 0.974 289 Q CA 1.558 57.360 55.803 -0.002 0.000 0.840 289 Q CB -0.606 28.130 28.738 -0.003 0.000 0.898 289 Q HN 0.813 nan 8.270 nan 0.000 0.430 290 D N 0.275 120.680 120.400 0.008 0.000 2.149 290 D HA -0.209 4.431 4.640 0.001 0.000 0.198 290 D C 1.853 178.158 176.300 0.008 0.000 0.990 290 D CA 1.069 55.076 54.000 0.011 0.000 0.839 290 D CB 0.321 41.129 40.800 0.013 0.000 0.948 290 D HN -0.008 nan 8.370 nan 0.000 0.460 291 R N 0.705 121.210 120.500 0.009 0.000 2.093 291 R HA 0.085 4.425 4.340 0.001 0.000 0.224 291 R C 2.154 178.452 176.300 -0.004 0.000 1.101 291 R CA 1.567 57.671 56.100 0.006 0.000 0.979 291 R CB -0.896 29.413 30.300 0.014 0.000 0.877 291 R HN 0.141 nan 8.270 nan 0.000 0.441 292 A N -0.269 122.548 122.820 -0.006 0.000 1.858 292 A HA -0.022 4.299 4.320 0.001 0.000 0.216 292 A C 2.376 179.952 177.584 -0.013 0.000 1.190 292 A CA 1.746 53.775 52.037 -0.013 0.000 0.617 292 A CB -1.547 17.444 19.000 -0.015 0.000 0.827 292 A HN 0.482 nan 8.150 nan 0.000 0.443 293 G N -0.477 108.319 108.800 -0.006 0.000 2.513 293 G HA2 -0.319 3.641 3.960 0.001 0.000 0.219 293 G HA3 -0.319 3.641 3.960 0.001 0.000 0.219 293 G C 1.767 176.662 174.900 -0.009 0.000 1.160 293 G CA 2.413 47.510 45.100 -0.005 0.000 0.767 293 G HN 0.816 nan 8.290 nan 0.000 0.571 294 T N -1.985 112.566 114.554 -0.006 0.000 2.995 294 T HA -0.003 4.347 4.350 0.001 0.000 0.269 294 T C 1.740 176.429 174.700 -0.018 0.000 1.091 294 T CA 1.533 63.627 62.100 -0.010 0.000 1.128 294 T CB -0.087 68.778 68.868 -0.005 0.000 0.891 294 T HN 0.130 nan 8.240 nan 0.000 0.492 295 D N 1.866 122.254 120.400 -0.019 0.000 2.077 295 D HA -0.078 4.562 4.640 0.001 0.000 0.196 295 D C 2.581 178.860 176.300 -0.036 0.000 0.986 295 D CA 1.823 55.807 54.000 -0.027 0.000 0.829 295 D CB -0.584 40.200 40.800 -0.027 0.000 0.983 295 D HN 0.466 nan 8.370 nan 0.000 0.453 296 V N 0.219 120.111 119.914 -0.036 0.000 2.332 296 V HA -0.211 3.909 4.120 0.001 0.000 0.248 296 V C 2.384 178.450 176.094 -0.047 0.000 1.055 296 V CA 2.072 64.346 62.300 -0.044 0.000 1.038 296 V CB -1.348 30.451 31.823 -0.041 0.000 0.651 296 V HN 0.134 nan 8.190 nan 0.000 0.450 297 A N 0.506 123.302 122.820 -0.040 0.000 1.948 297 A HA -0.273 4.048 4.320 0.001 0.000 0.220 297 A C 2.204 179.764 177.584 -0.040 0.000 1.177 297 A CA 2.320 54.333 52.037 -0.041 0.000 0.636 297 A CB -0.676 18.305 19.000 -0.031 0.000 0.815 297 A HN 0.692 nan 8.150 nan 0.000 0.449 298 E N -0.085 120.092 120.200 -0.038 0.000 2.107 298 E HA -0.051 4.300 4.350 0.001 0.000 0.191 298 E C 2.111 178.680 176.600 -0.051 0.000 0.982 298 E CA 1.402 57.779 56.400 -0.039 0.000 0.809 298 E CB -0.404 29.276 29.700 -0.034 0.000 0.756 298 E HN 0.412 nan 8.360 nan 0.000 0.459 299 S N -0.979 114.685 115.700 -0.061 0.000 2.402 299 S HA -0.071 4.399 4.470 0.001 0.000 0.229 299 S C 1.773 176.326 174.600 -0.077 0.000 1.021 299 S CA 1.034 59.185 58.200 -0.081 0.000 0.974 299 S CB -0.055 63.093 63.200 -0.086 0.000 0.800 299 S HN 0.172 nan 8.310 nan 0.000 0.484 300 V N 1.351 121.226 119.914 -0.065 0.000 2.446 300 V HA 0.001 4.121 4.120 0.001 0.000 0.244 300 V C 2.403 178.465 176.094 -0.054 0.000 1.039 300 V CA 1.249 63.512 62.300 -0.062 0.000 1.045 300 V CB -0.513 31.272 31.823 -0.063 0.000 0.681 300 V HN 0.377 nan 8.190 nan 0.000 0.459 301 R N 0.144 120.616 120.500 -0.048 0.000 2.103 301 R HA -0.190 4.150 4.340 0.001 0.000 0.242 301 R C 2.236 178.515 176.300 -0.035 0.000 1.142 301 R CA 1.861 57.939 56.100 -0.037 0.000 0.960 301 R CB -0.334 29.948 30.300 -0.031 0.000 0.858 301 R HN 0.439 nan 8.270 nan 0.000 0.439 302 L N 0.154 121.351 121.223 -0.044 0.000 2.027 302 L HA -0.109 4.231 4.340 0.001 0.000 0.206 302 L C 2.805 179.647 176.870 -0.046 0.000 1.074 302 L CA 1.325 56.139 54.840 -0.043 0.000 0.745 302 L CB -0.550 41.469 42.059 -0.067 0.000 0.898 302 L HN 0.317 nan 8.230 nan 0.000 0.433 303 A N 0.209 122.992 122.820 -0.062 0.000 1.877 303 A HA -0.175 4.145 4.320 0.001 0.000 0.216 303 A C 2.250 179.812 177.584 -0.036 0.000 1.186 303 A CA 1.545 53.547 52.037 -0.057 0.000 0.620 303 A CB -0.781 18.180 19.000 -0.066 0.000 0.822 303 A HN 0.348 nan 8.150 nan 0.000 0.443 304 L N -0.843 120.358 121.223 -0.036 0.000 2.046 304 L HA -0.155 4.186 4.340 0.001 0.000 0.208 304 L C 2.812 179.672 176.870 -0.016 0.000 1.077 304 L CA 1.054 55.877 54.840 -0.027 0.000 0.747 304 L CB -0.605 41.435 42.059 -0.032 0.000 0.896 304 L HN 0.422 nan 8.230 nan 0.000 0.432 305 A N 0.088 122.900 122.820 -0.013 0.000 2.264 305 A HA 0.143 4.464 4.320 0.001 0.000 0.207 305 A C 1.697 179.286 177.584 0.009 0.000 1.196 305 A CA 0.799 52.836 52.037 -0.001 0.000 0.778 305 A CB -1.032 17.969 19.000 0.002 0.000 0.779 305 A HN 0.610 nan 8.150 nan 0.000 0.483 306 G N -0.749 108.054 108.800 0.005 0.000 2.198 306 G HA2 -0.249 3.711 3.960 0.001 0.000 0.260 306 G HA3 -0.249 3.711 3.960 0.001 0.000 0.260 306 G C -0.095 174.828 174.900 0.037 0.000 1.025 306 G CA 0.587 45.697 45.100 0.017 0.000 0.769 306 G HN 0.679 nan 8.290 nan 0.000 0.507 307 E N -1.364 118.853 120.200 0.029 0.000 2.254 307 E HA 0.557 4.907 4.350 0.001 0.000 0.258 307 E C -0.111 176.522 176.600 0.055 0.000 1.033 307 E CA -1.177 55.261 56.400 0.063 0.000 0.893 307 E CB 1.000 30.733 29.700 0.055 0.000 1.204 307 E HN 0.155 nan 8.360 nan 0.000 0.425 308 F N 1.483 121.381 119.950 -0.086 0.000 2.543 308 F HA 0.055 4.582 4.527 0.001 0.000 0.375 308 F C -0.383 175.308 175.800 -0.180 0.000 1.075 308 F CA -0.184 57.694 58.000 -0.203 0.000 1.225 308 F CB 0.448 39.139 39.000 -0.514 0.000 1.099 308 F HN -0.014 nan 8.300 nan 0.000 0.561 309 V N 10.028 129.453 119.914 -0.816 0.000 2.259 309 V HA 0.166 4.286 4.120 0.001 0.000 0.267 309 V C -1.642 173.955 176.094 -0.830 0.000 1.051 309 V CA -1.138 60.790 62.300 -0.619 0.000 0.830 309 V CB 0.700 32.304 31.823 -0.364 0.000 1.080 309 V HN 0.697 nan 8.190 nan 0.000 0.467 310 P HA -0.096 nan 4.420 nan 0.000 0.218 310 P C 0.659 177.802 177.300 -0.261 0.000 1.148 310 P CA 1.095 63.925 63.100 -0.451 0.000 0.822 310 P CB 0.213 31.845 31.700 -0.114 0.000 0.784 311 D N -0.721 119.555 120.400 -0.207 0.000 2.352 311 D HA 0.173 4.814 4.640 0.001 0.000 0.236 311 D C 0.531 176.747 176.300 -0.139 0.000 1.148 311 D CA 0.110 54.032 54.000 -0.131 0.000 0.844 311 D CB -0.466 40.279 40.800 -0.092 0.000 0.933 311 D HN 0.108 nan 8.370 nan 0.000 0.507 312 A N 0.232 122.933 122.820 -0.198 0.000 2.366 312 A HA 0.265 4.585 4.320 0.001 0.000 0.272 312 A C 1.260 178.785 177.584 -0.099 0.000 1.135 312 A CA -0.419 51.525 52.037 -0.155 0.000 0.804 312 A CB 1.075 19.955 19.000 -0.199 0.000 1.064 312 A HN 0.078 nan 8.150 nan 0.000 0.499 313 V N 2.442 122.315 119.914 -0.067 0.000 3.506 313 V HA -0.019 4.102 4.120 0.001 0.000 0.263 313 V C 1.110 177.187 176.094 -0.028 0.000 1.203 313 V CA 1.616 63.891 62.300 -0.041 0.000 1.133 313 V CB -0.645 31.159 31.823 -0.033 0.000 0.802 313 V HN 1.035 nan 8.190 nan 0.000 0.459 314 N N -1.466 117.215 118.700 -0.033 0.000 2.307 314 N HA 0.103 4.843 4.740 0.001 0.000 0.248 314 N C -0.277 175.225 175.510 -0.013 0.000 1.322 314 N CA -0.056 52.982 53.050 -0.019 0.000 0.861 314 N CB 0.095 38.571 38.487 -0.018 0.000 1.303 314 N HN 0.133 nan 8.380 nan 0.000 0.498 315 V N 0.071 119.975 119.914 -0.017 0.000 3.641 315 V HA 0.465 4.586 4.120 0.001 0.000 0.286 315 V C 1.944 178.062 176.094 0.040 0.000 1.027 315 V CA 0.459 62.765 62.300 0.011 0.000 1.032 315 V CB 0.645 32.471 31.823 0.005 0.000 1.238 315 V HN 0.338 nan 8.190 nan 0.000 0.439 316 G N 0.623 109.466 108.800 0.072 0.000 2.942 316 G HA2 -0.148 3.812 3.960 0.001 0.000 0.199 316 G HA3 -0.148 3.812 3.960 0.001 0.000 0.199 316 G C 1.487 176.424 174.900 0.062 0.000 1.440 316 G CA 0.865 46.006 45.100 0.069 0.000 0.815 316 G HN 1.180 nan 8.290 nan 0.000 0.675 317 G N -0.284 108.564 108.800 0.079 0.000 2.545 317 G HA2 0.220 4.180 3.960 0.001 0.000 0.222 317 G HA3 0.220 4.180 3.960 0.001 0.000 0.222 317 G C 1.210 176.143 174.900 0.055 0.000 1.126 317 G CA 1.986 47.126 45.100 0.065 0.000 0.754 317 G HN 1.870 nan 8.290 nan 0.000 0.583 318 G N -1.807 107.033 108.800 0.067 0.000 1.844 318 G HA2 -0.010 3.950 3.960 0.001 0.000 0.177 318 G HA3 -0.010 3.950 3.960 0.001 0.000 0.177 318 G C -0.507 174.411 174.900 0.031 0.000 1.010 318 G CA -0.083 45.040 45.100 0.039 0.000 1.257 318 G HN 0.851 nan 8.290 nan 0.000 0.428 319 V N 2.127 122.054 119.914 0.022 0.000 2.333 319 V HA 0.581 4.701 4.120 0.001 0.000 0.274 319 V C 0.690 176.803 176.094 0.033 0.000 1.028 319 V CA -0.673 61.633 62.300 0.009 0.000 0.851 319 V CB 1.169 32.991 31.823 -0.002 0.000 1.000 319 V HN 0.639 nan 8.190 nan 0.000 0.456 320 V N 4.632 124.573 119.914 0.046 0.000 2.508 320 V HA 0.094 4.214 4.120 0.001 0.000 0.281 320 V C 0.716 176.841 176.094 0.050 0.000 1.041 320 V CA -0.197 62.151 62.300 0.080 0.000 1.016 320 V CB 0.920 32.827 31.823 0.141 0.000 0.984 320 V HN 0.980 nan 8.190 nan 0.000 0.478 321 N N 3.408 122.138 118.700 0.049 0.000 2.454 321 N HA -0.002 4.738 4.740 0.001 0.000 0.260 321 N C 1.361 176.904 175.510 0.055 0.000 1.218 321 N CA 0.174 53.246 53.050 0.038 0.000 0.904 321 N CB 0.802 39.306 38.487 0.027 0.000 1.065 321 N HN 0.784 nan 8.380 nan 0.000 0.462 322 E N 1.531 121.754 120.200 0.040 0.000 2.208 322 E HA -0.343 4.008 4.350 0.001 0.000 0.202 322 E C 1.052 177.701 176.600 0.083 0.000 1.014 322 E CA 1.609 58.036 56.400 0.045 0.000 0.819 322 E CB -0.138 29.575 29.700 0.022 0.000 0.735 322 E HN 0.693 nan 8.360 nan 0.000 0.469 323 E N 0.227 120.481 120.200 0.091 0.000 2.274 323 E HA -0.062 4.289 4.350 0.001 0.000 0.194 323 E C 1.630 178.368 176.600 0.230 0.000 0.996 323 E CA 0.886 57.370 56.400 0.140 0.000 0.840 323 E CB 0.319 30.074 29.700 0.090 0.000 0.772 323 E HN 0.294 nan 8.360 nan 0.000 0.491 324 V N -0.309 119.713 119.914 0.180 0.000 2.795 324 V HA 0.113 4.233 4.120 0.001 0.000 0.243 324 V C 2.214 178.513 176.094 0.341 0.000 1.069 324 V CA 0.862 63.294 62.300 0.220 0.000 1.089 324 V CB -0.485 31.393 31.823 0.092 0.000 0.756 324 V HN 0.322 nan 8.190 nan 0.000 0.471 325 A N 1.376 124.325 122.820 0.215 0.000 1.909 325 A HA -0.236 4.084 4.320 0.001 0.000 0.221 325 A C 0.484 178.167 177.584 0.165 0.000 1.223 325 A CA 2.740 54.877 52.037 0.167 0.000 0.658 325 A CB -2.144 16.911 19.000 0.091 0.000 0.831 325 A HN 0.535 nan 8.150 nan 0.000 0.462 326 P HA -0.130 nan 4.420 nan 0.000 0.223 326 P C 0.550 177.792 177.300 -0.097 0.000 1.144 326 P CA 1.086 64.164 63.100 -0.037 0.000 0.783 326 P CB -0.153 31.459 31.700 -0.147 0.000 0.771 327 W N -1.206 120.113 121.300 0.031 0.000 2.658 327 W HA 0.133 4.794 4.660 0.001 0.000 0.263 327 W C 2.010 178.554 176.519 0.040 0.000 1.274 327 W CA 0.093 57.456 57.345 0.030 0.000 1.343 327 W CB -0.978 28.501 29.460 0.030 0.000 1.106 327 W HN -0.123 nan 8.180 nan 0.000 0.615 328 L N 0.212 121.594 121.223 0.264 0.000 1.944 328 L HA -0.307 4.034 4.340 0.001 0.000 0.218 328 L C 2.242 179.205 176.870 0.155 0.000 1.075 328 L CA 2.020 56.986 54.840 0.210 0.000 0.767 328 L CB -1.076 41.100 42.059 0.195 0.000 0.890 328 L HN -0.087 nan 8.230 nan 0.000 0.434 329 D N -0.357 120.104 120.400 0.102 0.000 2.158 329 D HA -0.218 4.422 4.640 0.001 0.000 0.197 329 D C 2.136 178.459 176.300 0.038 0.000 0.995 329 D CA 0.870 54.907 54.000 0.062 0.000 0.846 329 D CB 0.011 40.826 40.800 0.025 0.000 0.941 329 D HN 0.173 nan 8.370 nan 0.000 0.456 330 L N -0.067 121.170 121.223 0.024 0.000 2.072 330 L HA -0.077 4.264 4.340 0.001 0.000 0.205 330 L C 1.987 178.890 176.870 0.054 0.000 1.079 330 L CA 1.092 55.933 54.840 0.002 0.000 0.752 330 L CB -0.480 41.539 42.059 -0.067 0.000 0.906 330 L HN 0.033 nan 8.230 nan 0.000 0.436 331 V N 0.218 120.200 119.914 0.113 0.000 2.548 331 V HA -0.181 3.940 4.120 0.001 0.000 0.249 331 V C 2.751 178.873 176.094 0.046 0.000 1.055 331 V CA 1.349 63.709 62.300 0.101 0.000 1.065 331 V CB -0.718 31.188 31.823 0.138 0.000 0.681 331 V HN 0.469 nan 8.190 nan 0.000 0.462 332 R N 0.444 120.977 120.500 0.056 0.000 2.103 332 R HA -0.239 4.101 4.340 0.001 0.000 0.242 332 R C 2.360 178.663 176.300 0.004 0.000 1.142 332 R CA 1.953 58.072 56.100 0.031 0.000 0.960 332 R CB -0.134 30.204 30.300 0.064 0.000 0.858 332 R HN 0.451 nan 8.270 nan 0.000 0.439 333 K N 0.164 120.569 120.400 0.008 0.000 2.057 333 K HA -0.064 4.256 4.320 0.001 0.000 0.206 333 K C 2.160 178.747 176.600 -0.021 0.000 1.050 333 K CA 1.187 57.468 56.287 -0.010 0.000 0.935 333 K CB -0.115 32.377 32.500 -0.014 0.000 0.715 333 K HN 0.161 nan 8.250 nan 0.000 0.439 334 L N -0.034 121.182 121.223 -0.011 0.000 2.081 334 L HA -0.202 4.139 4.340 0.001 0.000 0.212 334 L C 2.442 179.287 176.870 -0.042 0.000 1.080 334 L CA 1.554 56.382 54.840 -0.020 0.000 0.754 334 L CB -0.815 41.246 42.059 0.003 0.000 0.893 334 L HN 0.414 nan 8.230 nan 0.000 0.433 335 G N -0.831 107.938 108.800 -0.051 0.000 2.422 335 G HA2 -0.145 3.815 3.960 0.001 0.000 0.218 335 G HA3 -0.145 3.815 3.960 0.001 0.000 0.218 335 G C 1.595 176.441 174.900 -0.090 0.000 1.140 335 G CA 0.680 45.727 45.100 -0.089 0.000 0.775 335 G HN 0.193 nan 8.290 nan 0.000 0.545 336 V N 1.053 120.929 119.914 -0.062 0.000 2.295 336 V HA -0.113 4.007 4.120 0.001 0.000 0.246 336 V C 2.831 178.893 176.094 -0.053 0.000 1.049 336 V CA 1.017 63.285 62.300 -0.052 0.000 1.024 336 V CB -0.396 31.407 31.823 -0.032 0.000 0.648 336 V HN 0.203 nan 8.190 nan 0.000 0.447 337 L N 0.338 121.530 121.223 -0.053 0.000 2.012 337 L HA -0.184 4.157 4.340 0.001 0.000 0.210 337 L C 2.705 179.539 176.870 -0.060 0.000 1.073 337 L CA 2.618 57.424 54.840 -0.056 0.000 0.748 337 L CB -1.808 40.214 42.059 -0.061 0.000 0.891 337 L HN 0.392 nan 8.230 nan 0.000 0.431 338 A N -0.733 122.047 122.820 -0.067 0.000 1.972 338 A HA -0.078 4.243 4.320 0.001 0.000 0.219 338 A C 2.361 179.902 177.584 -0.071 0.000 1.169 338 A CA 1.671 53.666 52.037 -0.071 0.000 0.635 338 A CB -0.915 18.035 19.000 -0.083 0.000 0.810 338 A HN 0.463 nan 8.150 nan 0.000 0.446 339 G N -0.814 107.938 108.800 -0.079 0.000 2.518 339 G HA2 0.002 3.962 3.960 0.001 0.000 0.213 339 G HA3 0.002 3.962 3.960 0.001 0.000 0.213 339 G C 1.397 176.272 174.900 -0.043 0.000 1.226 339 G CA 0.878 45.934 45.100 -0.073 0.000 0.822 339 G HN 0.260 nan 8.290 nan 0.000 0.546 340 V N 1.095 120.987 119.914 -0.036 0.000 2.636 340 V HA -0.153 3.968 4.120 0.001 0.000 0.258 340 V C 2.704 178.789 176.094 -0.015 0.000 1.092 340 V CA 1.389 63.676 62.300 -0.021 0.000 1.110 340 V CB -0.340 31.470 31.823 -0.021 0.000 0.685 340 V HN 0.308 nan 8.190 nan 0.000 0.481 341 L N -1.379 119.829 121.223 -0.024 0.000 2.298 341 L HA 0.110 4.450 4.340 0.001 0.000 0.209 341 L C 1.237 178.100 176.870 -0.011 0.000 1.084 341 L CA 0.124 54.953 54.840 -0.018 0.000 0.816 341 L CB -0.097 41.941 42.059 -0.035 0.000 0.967 341 L HN 0.194 nan 8.230 nan 0.000 0.460 342 S N 0.890 116.578 115.700 -0.019 0.000 2.549 342 S HA -0.026 4.445 4.470 0.001 0.000 0.283 342 S C 0.568 175.169 174.600 0.001 0.000 1.320 342 S CA -0.528 57.664 58.200 -0.012 0.000 1.058 342 S CB 0.927 64.114 63.200 -0.022 0.000 0.882 342 S HN 0.276 nan 8.310 nan 0.000 0.498 343 D N 1.986 122.392 120.400 0.011 0.000 2.110 343 D HA -0.044 4.596 4.640 0.001 0.000 0.202 343 D C 0.273 176.582 176.300 0.014 0.000 0.975 343 D CA 0.802 54.812 54.000 0.018 0.000 0.839 343 D CB -0.330 40.486 40.800 0.027 0.000 0.996 343 D HN 0.369 nan 8.370 nan 0.000 0.464 344 E N 0.575 120.783 120.200 0.012 0.000 2.366 344 E HA 0.204 4.554 4.350 0.001 0.000 0.266 344 E C 0.095 176.701 176.600 0.010 0.000 1.051 344 E CA -0.805 55.602 56.400 0.012 0.000 0.884 344 E CB 1.172 30.879 29.700 0.011 0.000 1.006 344 E HN 0.113 nan 8.360 nan 0.000 0.417 345 L N 4.450 125.683 121.223 0.018 0.000 2.514 345 L HA 0.129 4.469 4.340 0.001 0.000 0.280 345 L C -2.260 174.620 176.870 0.017 0.000 1.223 345 L CA -0.613 54.242 54.840 0.024 0.000 0.864 345 L CB -0.014 42.074 42.059 0.047 0.000 1.118 345 L HN 0.309 nan 8.230 nan 0.000 0.494 346 P HA 0.243 nan 4.420 nan 0.000 0.282 346 P C 0.217 177.525 177.300 0.013 0.000 1.259 346 P CA -0.483 62.614 63.100 -0.005 0.000 0.826 346 P CB 1.215 32.893 31.700 -0.036 0.000 1.064 347 V N -1.794 118.124 119.914 0.007 0.000 3.471 347 V HA 0.184 4.304 4.120 0.001 0.000 0.258 347 V C 0.321 176.420 176.094 0.010 0.000 1.192 347 V CA 0.779 63.088 62.300 0.015 0.000 1.116 347 V CB -0.816 31.013 31.823 0.010 0.000 0.792 347 V HN 0.585 nan 8.190 nan 0.000 0.459 348 S N 0.127 115.824 115.700 -0.006 0.000 2.546 348 S HA 0.817 5.288 4.470 0.001 0.000 0.274 348 S C -1.336 173.242 174.600 -0.037 0.000 1.121 348 S CA -0.590 57.601 58.200 -0.014 0.000 0.887 348 S CB 2.453 65.645 63.200 -0.014 0.000 1.094 348 S HN 0.358 nan 8.310 nan 0.000 0.474 349 L N 1.492 122.686 121.223 -0.047 0.000 2.409 349 L HA 0.788 5.128 4.340 0.001 0.000 0.272 349 L C -0.783 176.053 176.870 -0.057 0.000 0.980 349 L CA 0.068 54.864 54.840 -0.072 0.000 0.826 349 L CB 2.155 44.142 42.059 -0.121 0.000 1.268 349 L HN 0.872 nan 8.230 nan 0.000 0.407 350 S N 3.594 119.263 115.700 -0.052 0.000 2.552 350 S HA 0.754 5.224 4.470 0.001 0.000 0.314 350 S C -1.195 173.380 174.600 -0.042 0.000 1.099 350 S CA -0.484 57.691 58.200 -0.041 0.000 1.070 350 S CB 1.265 64.446 63.200 -0.032 0.000 0.998 350 S HN 0.373 nan 8.310 nan 0.000 0.474 351 V N 5.887 125.777 119.914 -0.041 0.000 2.357 351 V HA 0.473 4.593 4.120 0.001 0.000 0.284 351 V C -0.039 176.034 176.094 -0.035 0.000 1.018 351 V CA -0.574 61.703 62.300 -0.038 0.000 0.841 351 V CB 1.321 33.119 31.823 -0.042 0.000 0.991 351 V HN 0.862 nan 8.190 nan 0.000 0.437 352 Q N 4.103 123.886 119.800 -0.030 0.000 2.394 352 Q HA 0.512 4.853 4.340 0.001 0.000 0.259 352 Q C -1.201 174.775 176.000 -0.039 0.000 1.021 352 Q CA -0.484 55.301 55.803 -0.030 0.000 0.805 352 Q CB 1.803 30.529 28.738 -0.020 0.000 1.226 352 Q HN 0.639 nan 8.270 nan 0.000 0.476 353 V N 5.351 125.227 119.914 -0.063 0.000 2.455 353 V HA 0.387 4.508 4.120 0.001 0.000 0.273 353 V C 0.010 176.058 176.094 -0.077 0.000 1.045 353 V CA -0.170 62.069 62.300 -0.102 0.000 0.976 353 V CB 0.700 32.434 31.823 -0.149 0.000 0.993 353 V HN 0.710 nan 8.190 nan 0.000 0.475 354 R N 3.667 124.129 120.500 -0.064 0.000 2.621 354 R HA 0.808 5.149 4.340 0.001 0.000 0.292 354 R C 0.360 176.645 176.300 -0.025 0.000 0.969 354 R CA -0.149 55.933 56.100 -0.029 0.000 0.887 354 R CB 2.120 32.425 30.300 0.009 0.000 1.180 354 R HN 0.995 nan 8.270 nan 0.000 0.450 355 G N 1.916 110.705 108.800 -0.017 0.000 2.358 355 G HA2 -0.237 3.723 3.960 0.001 0.000 0.198 355 G HA3 -0.237 3.723 3.960 0.001 0.000 0.198 355 G C 0.272 175.161 174.900 -0.018 0.000 1.220 355 G CA -0.333 44.768 45.100 0.003 0.000 1.187 355 G HN 0.568 nan 8.290 nan 0.000 0.544 356 E N 0.100 120.299 120.200 -0.001 0.000 2.208 356 E HA 0.153 4.504 4.350 0.001 0.000 0.193 356 E C 2.657 179.224 176.600 -0.054 0.000 0.988 356 E CA 0.728 57.126 56.400 -0.003 0.000 0.828 356 E CB 0.034 29.757 29.700 0.039 0.000 0.763 356 E HN 0.369 nan 8.360 nan 0.000 0.478 357 L N 0.724 121.864 121.223 -0.140 0.000 2.079 357 L HA -0.206 4.134 4.340 0.001 0.000 0.210 357 L C 2.475 179.232 176.870 -0.188 0.000 1.081 357 L CA 0.883 55.560 54.840 -0.272 0.000 0.752 357 L CB -0.384 41.318 42.059 -0.595 0.000 0.896 357 L HN 0.178 nan 8.230 nan 0.000 0.433 358 A N -0.195 122.544 122.820 -0.135 0.000 2.084 358 A HA -0.249 4.071 4.320 0.001 0.000 0.221 358 A C 2.371 179.920 177.584 -0.058 0.000 1.161 358 A CA 1.706 53.690 52.037 -0.089 0.000 0.653 358 A CB -0.586 18.379 19.000 -0.057 0.000 0.802 358 A HN 0.487 nan 8.150 nan 0.000 0.457 359 A N -0.852 121.941 122.820 -0.046 0.000 2.119 359 A HA 0.058 4.378 4.320 0.001 0.000 0.217 359 A C 1.085 178.659 177.584 -0.017 0.000 1.153 359 A CA 0.579 52.607 52.037 -0.015 0.000 0.692 359 A CB -0.085 18.917 19.000 0.004 0.000 0.799 359 A HN 0.513 nan 8.150 nan 0.000 0.458 360 E N 0.721 120.893 120.200 -0.047 0.000 2.292 360 E HA 0.263 4.614 4.350 0.001 0.000 0.258 360 E C -0.514 176.060 176.600 -0.044 0.000 1.115 360 E CA -0.492 55.882 56.400 -0.044 0.000 0.929 360 E CB 0.372 30.033 29.700 -0.065 0.000 1.161 360 E HN 0.633 nan 8.360 nan 0.000 0.453 361 E N -0.134 120.048 120.200 -0.030 0.000 2.105 361 E HA 0.211 4.561 4.350 0.001 0.000 0.285 361 E C 0.458 177.046 176.600 -0.020 0.000 1.055 361 E CA -0.307 56.080 56.400 -0.022 0.000 0.843 361 E CB 0.514 30.209 29.700 -0.009 0.000 1.067 361 E HN 0.202 nan 8.360 nan 0.000 0.398 362 V N 0.031 119.924 119.914 -0.035 0.000 3.121 362 V HA 0.103 4.223 4.120 0.001 0.000 0.344 362 V C 1.358 177.442 176.094 -0.016 0.000 1.390 362 V CA -0.259 62.016 62.300 -0.042 0.000 1.177 362 V CB 0.171 31.936 31.823 -0.097 0.000 1.163 362 V HN 0.580 nan 8.190 nan 0.000 0.484 363 E N 0.962 121.161 120.200 -0.002 0.000 2.118 363 E HA -0.165 4.185 4.350 0.001 0.000 0.195 363 E C 2.056 178.665 176.600 0.015 0.000 0.992 363 E CA 1.566 57.967 56.400 0.001 0.000 0.804 363 E CB 0.167 29.871 29.700 0.007 0.000 0.741 363 E HN 0.536 nan 8.360 nan 0.000 0.458 364 V N 1.188 121.134 119.914 0.054 0.000 2.867 364 V HA -0.203 3.918 4.120 0.001 0.000 0.260 364 V C 2.200 178.354 176.094 0.101 0.000 1.099 364 V CA 0.902 63.268 62.300 0.110 0.000 1.122 364 V CB -0.295 31.625 31.823 0.161 0.000 0.708 364 V HN 0.233 nan 8.190 nan 0.000 0.490 365 L N -0.609 120.647 121.223 0.054 0.000 2.093 365 L HA -0.159 4.181 4.340 0.001 0.000 0.208 365 L C 2.660 179.518 176.870 -0.020 0.000 1.085 365 L CA 1.849 56.714 54.840 0.043 0.000 0.755 365 L CB -0.656 41.416 42.059 0.022 0.000 0.904 365 L HN 0.273 nan 8.230 nan 0.000 0.435 366 R N 0.665 121.136 120.500 -0.048 0.000 2.080 366 R HA -0.184 4.157 4.340 0.001 0.000 0.236 366 R C 2.367 178.574 176.300 -0.155 0.000 1.137 366 R CA 1.536 57.586 56.100 -0.084 0.000 0.943 366 R CB -0.280 29.978 30.300 -0.070 0.000 0.846 366 R HN 0.267 nan 8.270 nan 0.000 0.431 367 L N -0.164 120.921 121.223 -0.230 0.000 1.990 367 L HA -0.251 4.089 4.340 0.001 0.000 0.213 367 L C 2.556 179.064 176.870 -0.603 0.000 1.072 367 L CA 1.691 56.227 54.840 -0.508 0.000 0.755 367 L CB -0.791 40.786 42.059 -0.803 0.000 0.889 367 L HN 0.204 nan 8.230 nan 0.000 0.432 368 S N -0.020 115.433 115.700 -0.410 0.000 2.368 368 S HA -0.297 4.173 4.470 0.001 0.000 0.226 368 S C 2.218 176.747 174.600 -0.118 0.000 1.044 368 S CA 1.577 59.699 58.200 -0.130 0.000 1.062 368 S CB -0.527 62.750 63.200 0.129 0.000 0.931 368 S HN 0.529 nan 8.310 nan 0.000 0.440 369 A N 1.208 123.965 122.820 -0.104 0.000 1.873 369 A HA -0.125 4.195 4.320 0.001 0.000 0.218 369 A C 2.108 179.583 177.584 -0.181 0.000 1.193 369 A CA 1.621 53.590 52.037 -0.113 0.000 0.629 369 A CB -0.904 18.040 19.000 -0.095 0.000 0.826 369 A HN 0.390 nan 8.150 nan 0.000 0.447 370 L N -0.352 120.750 121.223 -0.202 0.000 2.079 370 L HA -0.157 4.183 4.340 0.001 0.000 0.210 370 L C 2.599 179.343 176.870 -0.210 0.000 1.081 370 L CA 1.887 56.581 54.840 -0.242 0.000 0.752 370 L CB -0.772 41.226 42.059 -0.101 0.000 0.896 370 L HN 0.418 nan 8.230 nan 0.000 0.433 371 R N -0.501 119.899 120.500 -0.166 0.000 2.080 371 R HA -0.154 4.186 4.340 0.001 0.000 0.236 371 R C 2.093 178.369 176.300 -0.041 0.000 1.137 371 R CA 1.679 57.728 56.100 -0.085 0.000 0.943 371 R CB -0.901 29.313 30.300 -0.143 0.000 0.846 371 R HN 0.484 nan 8.270 nan 0.000 0.431 372 G N 2.025 110.783 108.800 -0.070 0.000 2.453 372 G HA2 -0.250 3.710 3.960 0.001 0.000 0.215 372 G HA3 -0.250 3.710 3.960 0.001 0.000 0.215 372 G C 1.567 176.406 174.900 -0.103 0.000 1.201 372 G CA 0.478 45.544 45.100 -0.055 0.000 0.784 372 G HN 0.300 nan 8.290 nan 0.000 0.545 373 L N -0.501 120.597 121.223 -0.209 0.000 2.085 373 L HA -0.160 4.180 4.340 0.001 0.000 0.218 373 L C 2.496 179.151 176.870 -0.358 0.000 1.080 373 L CA 2.050 56.683 54.840 -0.344 0.000 0.776 373 L CB -0.567 41.160 42.059 -0.552 0.000 0.891 373 L HN 0.251 nan 8.230 nan 0.000 0.437 374 F N -0.617 119.310 119.950 -0.039 0.000 2.698 374 F HA 0.000 4.528 4.527 0.001 0.000 0.295 374 F C 2.750 178.537 175.800 -0.022 0.000 1.124 374 F CA 0.731 58.712 58.000 -0.032 0.000 1.426 374 F CB -0.728 38.248 39.000 -0.041 0.000 1.120 374 F HN 0.196 nan 8.300 nan 0.000 0.583 375 S N 0.284 116.053 115.700 0.116 0.000 2.387 375 S HA -0.019 4.452 4.470 0.001 0.000 0.226 375 S C 2.046 176.677 174.600 0.051 0.000 1.026 375 S CA 0.694 58.939 58.200 0.076 0.000 0.972 375 S CB -0.754 62.475 63.200 0.050 0.000 0.814 375 S HN 0.151 nan 8.310 nan 0.000 0.477 376 A N 0.301 123.136 122.820 0.024 0.000 2.261 376 A HA 0.519 4.839 4.320 0.001 0.000 0.208 376 A C 1.513 179.111 177.584 0.025 0.000 1.223 376 A CA 0.525 52.567 52.037 0.010 0.000 0.833 376 A CB -0.324 18.664 19.000 -0.021 0.000 0.830 376 A HN 0.486 nan 8.150 nan 0.000 0.483 377 V N -1.687 118.265 119.914 0.064 0.000 3.221 377 V HA 0.277 4.398 4.120 0.001 0.000 0.254 377 V C -0.119 176.025 176.094 0.083 0.000 1.586 377 V CA 0.317 62.664 62.300 0.077 0.000 1.074 377 V CB 0.355 32.242 31.823 0.105 0.000 0.912 377 V HN 0.366 nan 8.190 nan 0.000 0.426 378 I N 1.156 121.786 120.570 0.100 0.000 2.439 378 I HA 0.329 4.500 4.170 0.001 0.000 0.283 378 I C 0.473 176.616 176.117 0.044 0.000 1.023 378 I CA -0.195 61.142 61.300 0.063 0.000 1.100 378 I CB 1.692 39.721 38.000 0.048 0.000 1.238 378 I HN 0.135 nan 8.210 nan 0.000 0.445 384 F N 1.061 121.010 119.950 -0.001 0.000 2.765 384 F HA 0.348 4.875 4.527 0.001 0.000 0.302 384 F C 1.910 177.687 175.800 -0.039 0.000 1.111 384 F CA 0.806 58.761 58.000 -0.075 0.000 1.359 384 F CB 0.656 39.528 39.000 -0.214 0.000 1.097 384 F HN 0.577 nan 8.300 nan 0.000 0.577 385 V N -3.913 116.063 119.914 0.102 0.000 3.426 385 V HA 0.143 4.263 4.120 0.001 0.000 0.271 385 V C 1.736 177.839 176.094 0.016 0.000 1.530 385 V CA 0.608 62.941 62.300 0.054 0.000 1.021 385 V CB -0.367 31.505 31.823 0.083 0.000 0.824 385 V HN 0.222 nan 8.190 nan 0.000 0.432 386 N N 3.054 121.764 118.700 0.016 0.000 2.270 386 N HA 0.029 4.769 4.740 0.001 0.000 0.181 386 N C 1.633 177.116 175.510 -0.046 0.000 1.016 386 N CA 2.160 55.202 53.050 -0.013 0.000 0.870 386 N CB 0.007 38.492 38.487 -0.004 0.000 0.979 386 N HN 0.581 nan 8.380 nan 0.000 0.431 387 A N 1.536 124.328 122.820 -0.046 0.000 1.851 387 A HA -0.031 4.289 4.320 0.001 0.000 0.216 387 A C 0.000 177.557 177.584 -0.046 0.000 1.195 387 A CA 1.714 53.721 52.037 -0.049 0.000 0.622 387 A CB -1.707 17.261 19.000 -0.052 0.000 0.831 387 A HN 0.386 nan 8.150 nan 0.000 0.444 388 P HA -0.118 nan 4.420 nan 0.000 0.218 388 P C 1.466 178.745 177.300 -0.035 0.000 1.148 388 P CA 1.953 65.037 63.100 -0.026 0.000 0.822 388 P CB -0.092 31.589 31.700 -0.033 0.000 0.784 389 A N -1.092 121.697 122.820 -0.051 0.000 2.021 389 A HA -0.050 4.270 4.320 0.001 0.000 0.216 389 A C 1.994 179.514 177.584 -0.105 0.000 1.163 389 A CA 0.698 52.699 52.037 -0.060 0.000 0.676 389 A CB -1.377 17.597 19.000 -0.045 0.000 0.818 389 A HN 0.142 nan 8.150 nan 0.000 0.453 390 L N 0.063 121.191 121.223 -0.159 0.000 2.046 390 L HA -0.024 4.316 4.340 0.001 0.000 0.208 390 L C 2.525 179.158 176.870 -0.395 0.000 1.077 390 L CA 2.187 56.856 54.840 -0.285 0.000 0.747 390 L CB -0.992 40.847 42.059 -0.367 0.000 0.896 390 L HN 0.311 nan 8.230 nan 0.000 0.432 391 A N -0.084 122.537 122.820 -0.331 0.000 1.865 391 A HA -0.139 4.181 4.320 0.001 0.000 0.217 391 A C 2.465 180.020 177.584 -0.049 0.000 1.191 391 A CA 2.116 54.066 52.037 -0.144 0.000 0.623 391 A CB -1.384 17.733 19.000 0.195 0.000 0.826 391 A HN 0.605 nan 8.150 nan 0.000 0.444 392 A N -0.876 121.920 122.820 -0.041 0.000 2.076 392 A HA -0.181 4.140 4.320 0.001 0.000 0.220 392 A C 1.912 179.470 177.584 -0.044 0.000 1.160 392 A CA 1.683 53.704 52.037 -0.026 0.000 0.653 392 A CB -0.474 18.511 19.000 -0.024 0.000 0.801 392 A HN 0.656 nan 8.150 nan 0.000 0.455 393 E N -0.969 119.181 120.200 -0.083 0.000 2.482 393 E HA -0.004 4.346 4.350 0.001 0.000 0.196 393 E C 1.090 177.646 176.600 -0.073 0.000 1.047 393 E CA 0.248 56.600 56.400 -0.080 0.000 0.869 393 E CB 0.086 29.724 29.700 -0.104 0.000 0.836 393 E HN 0.558 nan 8.360 nan 0.000 0.520 394 R N -1.651 118.806 120.500 -0.072 0.000 2.596 394 R HA 0.161 4.501 4.340 0.001 0.000 0.369 394 R C 0.869 177.180 176.300 0.020 0.000 1.042 394 R CA 0.440 56.521 56.100 -0.030 0.000 1.120 394 R CB 1.270 31.543 30.300 -0.045 0.000 1.353 394 R HN 0.170 nan 8.270 nan 0.000 0.564 395 G N 0.847 109.654 108.800 0.012 0.000 2.220 395 G HA2 -0.303 3.658 3.960 0.001 0.000 0.269 395 G HA3 -0.303 3.658 3.960 0.001 0.000 0.269 395 G C 0.332 175.260 174.900 0.047 0.000 0.977 395 G CA 0.438 45.552 45.100 0.024 0.000 0.634 395 G HN 0.165 nan 8.290 nan 0.000 0.539 396 V N 2.628 122.598 119.914 0.092 0.000 2.450 396 V HA 0.437 4.557 4.120 0.001 0.000 0.281 396 V C 1.105 177.250 176.094 0.086 0.000 1.019 396 V CA 0.757 63.128 62.300 0.118 0.000 1.062 396 V CB 0.577 32.562 31.823 0.270 0.000 0.979 396 V HN 0.755 nan 8.190 nan 0.000 0.477 397 T N 3.069 117.649 114.554 0.042 0.000 2.767 397 T HA 0.764 5.115 4.350 0.001 0.000 0.284 397 T C -0.053 174.652 174.700 0.008 0.000 0.973 397 T CA -0.344 61.770 62.100 0.024 0.000 0.996 397 T CB 1.523 70.397 68.868 0.010 0.000 0.927 397 T HN 0.904 nan 8.240 nan 0.000 0.456 398 A N 2.788 125.610 122.820 0.004 0.000 2.302 398 A HA 0.709 5.030 4.320 0.001 0.000 0.285 398 A C 0.170 177.742 177.584 -0.020 0.000 1.105 398 A CA -0.737 51.288 52.037 -0.018 0.000 0.816 398 A CB 0.554 19.538 19.000 -0.026 0.000 1.067 398 A HN 1.020 nan 8.150 nan 0.000 0.489 399 E N 0.584 120.767 120.200 -0.028 0.000 2.366 399 E HA 0.640 4.991 4.350 0.001 0.000 0.278 399 E C -1.951 174.630 176.600 -0.031 0.000 0.923 399 E CA -0.573 55.812 56.400 -0.025 0.000 0.761 399 E CB 1.734 31.421 29.700 -0.021 0.000 1.231 399 E HN 0.672 nan 8.360 nan 0.000 0.443 400 I N 2.628 123.181 120.570 -0.028 0.000 2.730 400 I HA 0.571 4.742 4.170 0.001 0.000 0.298 400 I C -1.588 174.512 176.117 -0.028 0.000 1.089 400 I CA -0.536 60.745 61.300 -0.031 0.000 1.041 400 I CB 1.580 39.559 38.000 -0.034 0.000 1.235 400 I HN 0.694 nan 8.210 nan 0.000 0.423 401 C N 5.561 124.842 119.300 -0.031 0.000 2.626 401 C HA 0.568 5.028 4.460 0.001 0.000 0.310 401 C C -0.926 174.042 174.990 -0.036 0.000 1.191 401 C CA -0.796 58.205 59.018 -0.028 0.000 1.517 401 C CB 1.842 29.568 27.740 -0.023 0.000 2.102 401 C HN 0.633 nan 8.230 nan 0.000 0.479 402 K N 2.093 122.474 120.400 -0.032 0.000 2.502 402 K HA 0.725 5.045 4.320 0.001 0.000 0.254 402 K C -0.923 175.661 176.600 -0.027 0.000 0.947 402 K CA -0.042 56.223 56.287 -0.038 0.000 0.834 402 K CB 2.008 34.485 32.500 -0.038 0.000 1.112 402 K HN 0.796 nan 8.250 nan 0.000 0.427 403 A N 1.146 123.950 122.820 -0.027 0.000 2.414 403 A HA 0.404 4.724 4.320 0.001 0.000 0.306 403 A C 0.881 178.456 177.584 -0.015 0.000 1.054 403 A CA -0.634 51.393 52.037 -0.016 0.000 0.724 403 A CB 1.281 20.276 19.000 -0.009 0.000 1.267 403 A HN 0.698 nan 8.150 nan 0.000 0.418 404 S N 0.901 116.596 115.700 -0.009 0.000 2.368 404 S HA -0.070 4.400 4.470 0.001 0.000 0.224 404 S C 0.688 175.289 174.600 0.002 0.000 1.029 404 S CA 1.267 59.463 58.200 -0.006 0.000 0.988 404 S CB -0.403 62.795 63.200 -0.003 0.000 0.838 404 S HN 0.723 nan 8.310 nan 0.000 0.462 405 E N 2.362 122.565 120.200 0.004 0.000 2.292 405 E HA 0.366 4.716 4.350 0.001 0.000 0.265 405 E C -0.679 175.933 176.600 0.020 0.000 1.093 405 E CA 0.073 56.480 56.400 0.011 0.000 0.922 405 E CB 0.370 30.076 29.700 0.009 0.000 1.001 405 E HN 0.363 nan 8.360 nan 0.000 0.444 406 S N 4.823 120.542 115.700 0.031 0.000 2.500 406 S HA 0.569 5.039 4.470 0.001 0.000 0.301 406 S C -2.009 172.622 174.600 0.050 0.000 1.092 406 S CA -1.383 56.850 58.200 0.055 0.000 1.030 406 S CB 1.222 64.469 63.200 0.079 0.000 1.031 406 S HN 0.456 nan 8.310 nan 0.000 0.483 407 P HA 0.206 nan 4.420 nan 0.000 0.264 407 P C 0.304 177.605 177.300 0.001 0.000 1.259 407 P CA 0.223 63.339 63.100 0.026 0.000 0.841 407 P CB 0.191 31.909 31.700 0.030 0.000 1.232 408 N N -0.952 117.756 118.700 0.014 0.000 3.233 408 N HA -0.002 4.739 4.740 0.001 0.000 0.244 408 N C 0.086 175.527 175.510 -0.114 0.000 1.007 408 N CA -0.239 52.753 53.050 -0.096 0.000 1.103 408 N CB 0.233 38.607 38.487 -0.190 0.000 1.573 408 N HN -0.054 nan 8.380 nan 0.000 0.694 409 H N 1.376 120.470 119.070 0.039 0.000 2.679 409 H HA 0.187 4.744 4.556 0.001 0.000 0.369 409 H C 0.839 176.201 175.328 0.057 0.000 1.178 409 H CA 0.041 56.119 56.048 0.051 0.000 1.419 409 H CB 1.294 31.120 29.762 0.107 0.000 1.458 409 H HN 0.278 nan 8.280 nan 0.000 0.605 410 R N 0.727 121.341 120.500 0.189 0.000 2.092 410 R HA 0.015 4.355 4.340 0.001 0.000 0.231 410 R C 0.066 176.454 176.300 0.147 0.000 1.119 410 R CA 0.770 56.950 56.100 0.134 0.000 0.970 410 R CB 0.187 30.562 30.300 0.125 0.000 0.864 410 R HN 0.329 nan 8.270 nan 0.000 0.440 411 S N -0.347 115.482 115.700 0.216 0.000 2.540 411 S HA 0.473 4.943 4.470 0.001 0.000 0.275 411 S C -1.415 173.323 174.600 0.230 0.000 1.123 411 S CA -0.676 57.627 58.200 0.172 0.000 0.907 411 S CB 2.958 66.276 63.200 0.198 0.000 1.081 411 S HN 0.007 nan 8.310 nan 0.000 0.476 412 V N 3.025 123.004 119.914 0.107 0.000 2.882 412 V HA 0.559 4.679 4.120 0.001 0.000 0.295 412 V C -1.653 174.463 176.094 0.037 0.000 1.273 412 V CA -0.439 61.922 62.300 0.101 0.000 0.949 412 V CB 1.948 33.788 31.823 0.028 0.000 1.071 412 V HN 0.700 nan 8.190 nan 0.000 0.432 413 V N 5.505 125.472 119.914 0.089 0.000 2.394 413 V HA 0.589 4.710 4.120 0.001 0.000 0.282 413 V C -0.696 175.420 176.094 0.037 0.000 1.031 413 V CA -0.476 61.847 62.300 0.038 0.000 0.881 413 V CB 1.802 33.673 31.823 0.080 0.000 0.982 413 V HN 0.879 nan 8.190 nan 0.000 0.451 414 D N 3.666 124.072 120.400 0.009 0.000 2.349 414 D HA 0.404 5.045 4.640 0.001 0.000 0.232 414 D C -0.393 175.900 176.300 -0.012 0.000 1.071 414 D CA -0.132 53.869 54.000 0.001 0.000 0.832 414 D CB 2.049 42.849 40.800 -0.001 0.000 1.086 414 D HN 0.239 nan 8.370 nan 0.000 0.504 415 V N 3.062 122.966 119.914 -0.017 0.000 2.432 415 V HA 0.399 4.519 4.120 0.001 0.000 0.275 415 V C 0.441 176.511 176.094 -0.040 0.000 1.043 415 V CA -0.571 61.709 62.300 -0.034 0.000 0.925 415 V CB 1.206 33.004 31.823 -0.041 0.000 0.985 415 V HN 0.389 nan 8.190 nan 0.000 0.466 416 R N 3.951 124.424 120.500 -0.044 0.000 2.502 416 R HA 0.744 5.084 4.340 0.001 0.000 0.300 416 R C -0.855 175.415 176.300 -0.049 0.000 0.984 416 R CA -0.343 55.732 56.100 -0.043 0.000 0.882 416 R CB 1.579 31.859 30.300 -0.033 0.000 1.180 416 R HN 0.791 nan 8.270 nan 0.000 0.444 417 A N 4.410 127.199 122.820 -0.051 0.000 2.287 417 A HA 0.575 4.896 4.320 0.001 0.000 0.317 417 A C -0.904 176.657 177.584 -0.039 0.000 1.220 417 A CA -0.644 51.361 52.037 -0.053 0.000 0.835 417 A CB 1.422 20.382 19.000 -0.067 0.000 1.180 417 A HN 0.461 nan 8.150 nan 0.000 0.500 418 V N 2.111 122.006 119.914 -0.031 0.000 2.547 418 V HA 0.717 4.837 4.120 0.001 0.000 0.299 418 V C 1.044 177.129 176.094 -0.016 0.000 1.040 418 V CA -0.130 62.157 62.300 -0.022 0.000 0.913 418 V CB 1.702 33.514 31.823 -0.018 0.000 0.992 418 V HN 1.070 nan 8.190 nan 0.000 0.449 419 G N 1.326 110.119 108.800 -0.011 0.000 2.502 419 G HA2 0.526 4.487 3.960 0.001 0.000 0.305 419 G HA3 0.526 4.487 3.960 0.001 0.000 0.305 419 G C 0.952 175.851 174.900 -0.001 0.000 1.190 419 G CA 0.072 45.169 45.100 -0.005 0.000 0.933 419 G HN 0.991 nan 8.290 nan 0.000 0.503 420 A N 0.559 123.381 122.820 0.003 0.000 1.873 420 A HA -0.157 4.163 4.320 0.001 0.000 0.218 420 A C 2.101 179.686 177.584 0.002 0.000 1.193 420 A CA 2.460 54.499 52.037 0.004 0.000 0.629 420 A CB -0.661 18.343 19.000 0.007 0.000 0.826 420 A HN 0.719 nan 8.150 nan 0.000 0.447 421 D N -1.891 118.510 120.400 0.003 0.000 2.123 421 D HA 0.085 4.726 4.640 0.001 0.000 0.196 421 D C 1.394 177.694 176.300 -0.001 0.000 0.992 421 D CA 1.972 55.973 54.000 0.002 0.000 0.833 421 D CB -0.700 40.102 40.800 0.004 0.000 0.954 421 D HN 0.980 nan 8.370 nan 0.000 0.455 422 G N -0.252 108.546 108.800 -0.003 0.000 2.902 422 G HA2 -0.146 3.815 3.960 0.001 0.000 0.215 422 G HA3 -0.146 3.815 3.960 0.001 0.000 0.215 422 G C 0.231 175.125 174.900 -0.010 0.000 0.976 422 G CA 0.313 45.410 45.100 -0.006 0.000 0.794 422 G HN 0.716 nan 8.290 nan 0.000 0.557 423 S N 0.344 116.038 115.700 -0.009 0.000 2.560 423 S HA 0.576 5.046 4.470 0.001 0.000 0.284 423 S C 0.295 174.884 174.600 -0.019 0.000 1.327 423 S CA 0.140 58.332 58.200 -0.013 0.000 1.055 423 S CB 1.779 64.974 63.200 -0.009 0.000 0.868 423 S HN 0.969 nan 8.310 nan 0.000 0.506 424 V N 3.394 123.292 119.914 -0.025 0.000 2.667 424 V HA 0.692 4.812 4.120 0.001 0.000 0.308 424 V C -0.224 175.846 176.094 -0.039 0.000 1.048 424 V CA -0.741 61.541 62.300 -0.031 0.000 0.928 424 V CB 1.770 33.574 31.823 -0.031 0.000 1.004 424 V HN 0.864 nan 8.190 nan 0.000 0.444 425 V N 2.507 122.397 119.914 -0.041 0.000 2.686 425 V HA 0.618 4.738 4.120 0.001 0.000 0.306 425 V C -0.341 175.725 176.094 -0.047 0.000 1.065 425 V CA -0.284 61.987 62.300 -0.049 0.000 0.894 425 V CB 2.656 34.451 31.823 -0.047 0.000 1.004 425 V HN 1.015 nan 8.190 nan 0.000 0.424 426 T N 3.675 118.200 114.554 -0.048 0.000 2.861 426 T HA 0.771 5.122 4.350 0.001 0.000 0.287 426 T C -0.849 173.827 174.700 -0.039 0.000 1.003 426 T CA -0.571 61.505 62.100 -0.041 0.000 0.977 426 T CB 1.974 70.821 68.868 -0.035 0.000 0.996 426 T HN 0.366 nan 8.240 nan 0.000 0.448 427 V N 2.126 122.019 119.914 -0.034 0.000 2.789 427 V HA 0.735 4.855 4.120 0.001 0.000 0.311 427 V C -0.602 175.485 176.094 -0.012 0.000 1.073 427 V CA -0.801 61.481 62.300 -0.030 0.000 0.921 427 V CB 2.395 34.191 31.823 -0.044 0.000 1.009 427 V HN 1.034 nan 8.190 nan 0.000 0.426 428 S N 1.676 117.377 115.700 0.001 0.000 2.536 428 S HA 0.882 5.353 4.470 0.001 0.000 0.287 428 S C -0.006 174.604 174.600 0.017 0.000 1.101 428 S CA -0.577 57.631 58.200 0.014 0.000 0.950 428 S CB 2.059 65.267 63.200 0.013 0.000 1.056 428 S HN 1.165 nan 8.310 nan 0.000 0.481 429 G N 0.744 109.570 108.800 0.043 0.000 2.537 429 G HA2 0.766 4.727 3.960 0.001 0.000 0.308 429 G HA3 0.766 4.727 3.960 0.001 0.000 0.308 429 G C -1.121 173.828 174.900 0.081 0.000 1.237 429 G CA -0.630 44.494 45.100 0.041 0.000 0.968 429 G HN 0.629 nan 8.290 nan 0.000 0.481 430 T N -0.224 114.338 114.554 0.012 0.000 2.864 430 T HA 0.598 4.948 4.350 0.001 0.000 0.299 430 T C -0.710 173.859 174.700 -0.220 0.000 1.166 430 T CA -0.500 61.618 62.100 0.030 0.000 1.007 430 T CB 1.555 70.517 68.868 0.158 0.000 1.219 430 T HN 0.433 nan 8.240 nan 0.000 0.506 431 L N 2.176 123.156 121.223 -0.406 0.000 2.346 431 L HA 0.854 5.194 4.340 0.001 0.000 0.274 431 L C -1.052 175.784 176.870 -0.056 0.000 1.007 431 L CA -1.151 53.432 54.840 -0.428 0.000 0.818 431 L CB 1.204 42.821 42.059 -0.737 0.000 1.284 431 L HN 0.867 nan 8.230 nan 0.000 0.424 432 Y N 0.054 120.309 120.300 -0.075 0.000 2.713 432 Y HA 0.803 5.353 4.550 0.001 0.000 0.335 432 Y C -0.099 175.798 175.900 -0.006 0.000 1.222 432 Y CA -0.835 57.264 58.100 -0.002 0.000 1.061 432 Y CB 0.926 39.415 38.460 0.048 0.000 1.314 432 Y HN 0.891 nan 8.280 nan 0.000 0.453 433 G N 0.930 109.896 108.800 0.276 0.000 2.758 433 G HA2 -0.073 3.887 3.960 0.001 0.000 0.686 433 G HA3 -0.073 3.887 3.960 0.001 0.000 0.686 433 G C -2.112 172.823 174.900 0.058 0.000 1.389 433 G CA -0.493 44.700 45.100 0.155 0.000 0.845 433 G HN 0.738 nan 8.290 nan 0.000 0.572 434 P HA -0.091 nan 4.420 nan 0.000 0.214 434 P C 0.500 177.808 177.300 0.013 0.000 1.163 434 P CA 1.328 64.451 63.100 0.037 0.000 0.889 434 P CB -0.055 31.659 31.700 0.024 0.000 0.790 435 Q N 0.601 120.392 119.800 -0.015 0.000 2.348 435 Q HA 0.227 4.568 4.340 0.001 0.000 0.251 435 Q C -0.007 175.936 176.000 -0.093 0.000 1.113 435 Q CA -0.119 55.657 55.803 -0.046 0.000 0.902 435 Q CB -0.216 28.491 28.738 -0.052 0.000 1.333 435 Q HN 0.343 nan 8.270 nan 0.000 0.457 436 L N 2.364 123.526 121.223 -0.102 0.000 2.574 436 L HA 0.037 4.378 4.340 0.001 0.000 0.281 436 L C 0.155 176.880 176.870 -0.243 0.000 1.212 436 L CA 0.176 54.916 54.840 -0.167 0.000 1.082 436 L CB -0.149 41.818 42.059 -0.153 0.000 1.362 436 L HN 0.318 nan 8.230 nan 0.000 0.451 437 S N 2.452 117.965 115.700 -0.311 0.000 2.513 437 S HA 0.248 4.718 4.470 0.001 0.000 0.276 437 S C -0.062 174.327 174.600 -0.352 0.000 1.254 437 S CA -0.740 57.279 58.200 -0.301 0.000 1.053 437 S CB 0.836 63.855 63.200 -0.300 0.000 0.958 437 S HN 0.478 nan 8.310 nan 0.000 0.491 438 Q N 2.907 122.549 119.800 -0.263 0.000 2.296 438 Q HA 0.246 4.586 4.340 0.001 0.000 0.263 438 Q C -0.252 175.640 176.000 -0.179 0.000 1.026 438 Q CA 0.059 55.715 55.803 -0.244 0.000 0.912 438 Q CB 0.500 29.127 28.738 -0.185 0.000 1.198 438 Q HN 0.325 nan 8.270 nan 0.000 0.407 439 K N 2.940 123.248 120.400 -0.153 0.000 2.259 439 K HA 0.504 4.824 4.320 0.001 0.000 0.252 439 K C -0.386 176.209 176.600 -0.009 0.000 0.936 439 K CA -0.725 55.528 56.287 -0.057 0.000 0.810 439 K CB 2.034 34.539 32.500 0.008 0.000 1.143 439 K HN 0.514 nan 8.250 nan 0.000 0.427 440 I N 1.544 122.121 120.570 0.012 0.000 2.440 440 I HA 0.115 4.285 4.170 0.001 0.000 0.294 440 I C 0.959 177.137 176.117 0.102 0.000 0.995 440 I CA -0.370 60.943 61.300 0.021 0.000 1.306 440 I CB 1.271 39.253 38.000 -0.030 0.000 1.407 440 I HN 0.307 nan 8.210 nan 0.000 0.501 441 V N 3.632 123.615 119.914 0.116 0.000 3.294 441 V HA 0.161 4.281 4.120 0.001 0.000 0.255 441 V C 0.078 176.328 176.094 0.259 0.000 1.528 441 V CA 0.259 62.684 62.300 0.209 0.000 1.086 441 V CB 0.853 32.726 31.823 0.084 0.000 0.906 441 V HN 0.716 nan 8.190 nan 0.000 0.433 442 Q N 0.573 120.470 119.800 0.162 0.000 2.359 442 Q HA 0.553 4.894 4.340 0.001 0.000 0.274 442 Q C -1.879 174.191 176.000 0.116 0.000 1.074 442 Q CA -0.425 55.447 55.803 0.114 0.000 0.810 442 Q CB 2.777 31.485 28.738 -0.050 0.000 1.342 442 Q HN 0.231 nan 8.270 nan 0.000 0.427 443 I N 3.148 123.833 120.570 0.193 0.000 2.583 443 I HA 0.210 4.381 4.170 0.001 0.000 0.276 443 I C -0.473 175.670 176.117 0.042 0.000 1.089 443 I CA -0.266 61.071 61.300 0.061 0.000 1.103 443 I CB 0.729 38.712 38.000 -0.027 0.000 1.209 443 I HN 0.903 nan 8.210 nan 0.000 0.484 444 N N 3.834 122.517 118.700 -0.028 0.000 2.776 444 N HA -0.174 4.566 4.740 0.001 0.000 0.249 444 N C 0.903 176.371 175.510 -0.070 0.000 1.111 444 N CA 0.913 53.926 53.050 -0.061 0.000 0.711 444 N CB -0.539 37.887 38.487 -0.101 0.000 1.065 444 N HN 1.114 nan 8.380 nan 0.000 0.556 445 G N -0.835 107.908 108.800 -0.095 0.000 2.149 445 G HA2 -0.307 3.654 3.960 0.001 0.000 0.235 445 G HA3 -0.307 3.654 3.960 0.001 0.000 0.235 445 G C -0.408 174.388 174.900 -0.173 0.000 1.018 445 G CA 0.123 45.137 45.100 -0.143 0.000 0.728 445 G HN 0.279 nan 8.290 nan 0.000 0.508 446 R N 0.003 120.403 120.500 -0.167 0.000 2.494 446 R HA 0.597 4.937 4.340 0.001 0.000 0.305 446 R C -0.389 175.646 176.300 -0.442 0.000 0.959 446 R CA -1.025 54.931 56.100 -0.241 0.000 0.864 446 R CB 0.733 30.944 30.300 -0.148 0.000 1.159 446 R HN 0.454 nan 8.270 nan 0.000 0.446 447 H N 1.575 120.410 119.070 -0.390 0.000 2.487 447 H HA 0.563 5.119 4.556 0.001 0.000 0.333 447 H C -0.434 174.554 175.328 -0.567 0.000 1.114 447 H CA 0.257 56.149 56.048 -0.261 0.000 1.310 447 H CB 0.793 30.495 29.762 -0.100 0.000 1.462 447 H HN 0.359 nan 8.280 nan 0.000 0.516 448 F N -0.295 119.759 119.950 0.174 0.000 2.685 448 F HA 0.245 4.772 4.527 0.001 0.000 0.315 448 F C -0.322 175.564 175.800 0.142 0.000 1.126 448 F CA -0.867 57.204 58.000 0.119 0.000 0.950 448 F CB 1.861 40.903 39.000 0.070 0.000 1.360 448 F HN 0.452 nan 8.300 nan 0.000 0.469 449 D N 2.313 122.903 120.400 0.317 0.000 2.621 449 D HA 0.337 4.978 4.640 0.001 0.000 0.274 449 D C -1.508 174.901 176.300 0.182 0.000 1.215 449 D CA 0.193 54.343 54.000 0.248 0.000 0.810 449 D CB 0.604 41.543 40.800 0.232 0.000 1.248 449 D HN 0.343 nan 8.370 nan 0.000 0.517 450 L N 1.543 122.853 121.223 0.145 0.000 2.325 450 L HA 0.498 4.838 4.340 0.001 0.000 0.278 450 L C 0.867 177.751 176.870 0.023 0.000 1.023 450 L CA -0.910 53.973 54.840 0.073 0.000 0.811 450 L CB 1.908 43.991 42.059 0.040 0.000 1.249 450 L HN -0.083 nan 8.230 nan 0.000 0.431 451 R N 2.402 122.902 120.500 0.000 0.000 2.483 451 R HA 0.084 4.425 4.340 0.001 0.000 0.329 451 R C 0.338 176.614 176.300 -0.039 0.000 0.961 451 R CA -0.196 55.883 56.100 -0.035 0.000 1.041 451 R CB 0.256 30.532 30.300 -0.039 0.000 0.930 451 R HN 0.698 nan 8.270 nan 0.000 0.413 452 A N 5.462 128.251 122.820 -0.052 0.000 3.110 452 A HA -0.050 4.270 4.320 0.001 0.000 0.265 452 A C 0.112 177.667 177.584 -0.048 0.000 1.962 452 A CA 0.350 52.356 52.037 -0.051 0.000 1.493 452 A CB -0.300 18.666 19.000 -0.056 0.000 0.941 452 A HN 0.685 nan 8.150 nan 0.000 0.610 453 Q N -0.496 119.279 119.800 -0.040 0.000 2.648 453 Q HA 0.637 4.978 4.340 0.001 0.000 0.300 453 Q C 0.182 176.166 176.000 -0.026 0.000 0.954 453 Q CA -0.463 55.320 55.803 -0.033 0.000 0.757 453 Q CB 0.687 29.404 28.738 -0.035 0.000 1.482 453 Q HN 1.535 nan 8.270 nan 0.000 0.437 454 G N 0.301 109.088 108.800 -0.021 0.000 2.877 454 G HA2 -0.232 3.729 3.960 0.001 0.000 0.279 454 G HA3 -0.232 3.729 3.960 0.001 0.000 0.279 454 G C -0.705 174.186 174.900 -0.016 0.000 1.431 454 G CA -0.458 44.632 45.100 -0.016 0.000 0.883 454 G HN 0.553 nan 8.290 nan 0.000 0.547 455 I N 2.137 122.699 120.570 -0.013 0.000 2.363 455 I HA 0.169 4.339 4.170 0.001 0.000 0.292 455 I C 0.510 176.617 176.117 -0.015 0.000 1.075 455 I CA -0.249 61.043 61.300 -0.013 0.000 1.333 455 I CB 0.451 38.445 38.000 -0.009 0.000 1.415 455 I HN 0.345 nan 8.210 nan 0.000 0.502 456 N N 6.797 125.484 118.700 -0.022 0.000 2.399 456 N HA 0.430 5.170 4.740 0.001 0.000 0.295 456 N C -1.049 174.447 175.510 -0.024 0.000 1.048 456 N CA -0.682 52.352 53.050 -0.028 0.000 0.886 456 N CB 2.645 41.105 38.487 -0.046 0.000 1.185 456 N HN 0.276 nan 8.380 nan 0.000 0.487 457 L N 2.569 123.782 121.223 -0.017 0.000 2.305 457 L HA 0.593 4.933 4.340 0.001 0.000 0.284 457 L C -1.226 175.641 176.870 -0.005 0.000 1.013 457 L CA -0.449 54.387 54.840 -0.007 0.000 0.819 457 L CB 0.659 42.719 42.059 0.002 0.000 1.227 457 L HN 0.325 nan 8.230 nan 0.000 0.417 458 I N 6.118 126.686 120.570 -0.003 0.000 2.392 458 I HA 0.522 4.692 4.170 0.001 0.000 0.295 458 I C -0.208 175.954 176.117 0.076 0.000 0.985 458 I CA -0.094 61.211 61.300 0.008 0.000 1.221 458 I CB 1.515 39.498 38.000 -0.028 0.000 1.366 458 I HN 0.506 nan 8.210 nan 0.000 0.467 459 I N 4.752 125.410 120.570 0.148 0.000 2.569 459 I HA 0.276 4.447 4.170 0.001 0.000 0.290 459 I C -1.186 175.159 176.117 0.379 0.000 1.088 459 I CA -0.776 60.676 61.300 0.253 0.000 1.047 459 I CB 2.012 40.166 38.000 0.258 0.000 1.237 459 I HN 0.518 nan 8.210 nan 0.000 0.421 460 H N 6.971 126.175 119.070 0.223 0.000 2.595 460 H HA 0.593 5.149 4.556 0.001 0.000 0.313 460 H C -1.586 173.937 175.328 0.326 0.000 1.023 460 H CA -0.616 55.536 56.048 0.173 0.000 1.218 460 H CB 0.632 30.470 29.762 0.127 0.000 1.403 460 H HN 0.485 nan 8.280 nan 0.000 0.477 461 Y N 1.231 121.623 120.300 0.155 0.000 2.715 461 Y HA 0.604 5.155 4.550 0.001 0.000 0.331 461 Y C -1.412 174.516 175.900 0.046 0.000 1.197 461 Y CA -1.545 56.555 58.100 0.000 0.000 1.079 461 Y CB 0.236 38.691 38.460 -0.008 0.000 1.298 461 Y HN 0.139 nan 8.280 nan 0.000 0.477 462 V N 2.394 122.399 119.914 0.152 0.000 2.427 462 V HA 0.074 4.195 4.120 0.001 0.000 0.268 462 V C -0.243 175.990 176.094 0.231 0.000 1.046 462 V CA -0.218 62.156 62.300 0.123 0.000 0.970 462 V CB 0.462 32.288 31.823 0.005 0.000 1.001 462 V HN 0.726 nan 8.190 nan 0.000 0.476 463 D N 7.150 127.618 120.400 0.113 0.000 2.348 463 D HA 0.202 4.843 4.640 0.001 0.000 0.259 463 D C 0.253 176.626 176.300 0.123 0.000 1.296 463 D CA 0.063 54.140 54.000 0.128 0.000 0.931 463 D CB 0.138 40.966 40.800 0.046 0.000 1.067 463 D HN 0.753 nan 8.370 nan 0.000 0.503 464 R N 1.881 122.468 120.500 0.145 0.000 2.716 464 R HA 0.573 4.913 4.340 0.001 0.000 0.271 464 R C -3.059 173.288 176.300 0.079 0.000 1.028 464 R CA -1.658 54.495 56.100 0.088 0.000 0.883 464 R CB 0.018 30.356 30.300 0.064 0.000 1.250 464 R HN -0.001 nan 8.270 nan 0.000 0.465 465 P HA 0.117 nan 4.420 nan 0.000 0.264 465 P C 0.519 177.834 177.300 0.025 0.000 1.193 465 P CA 1.582 64.705 63.100 0.038 0.000 0.763 465 P CB 0.728 32.445 31.700 0.027 0.000 0.810 466 G N 2.140 110.950 108.800 0.017 0.000 2.313 466 G HA2 -0.287 3.673 3.960 0.001 0.000 0.215 466 G HA3 -0.287 3.673 3.960 0.001 0.000 0.215 466 G C 1.259 176.142 174.900 -0.029 0.000 1.023 466 G CA 0.657 45.754 45.100 -0.005 0.000 0.626 466 G HN 0.667 nan 8.290 nan 0.000 0.503 467 A N 0.477 123.282 122.820 -0.025 0.000 1.881 467 A HA 0.018 4.338 4.320 0.001 0.000 0.219 467 A C 2.439 179.926 177.584 -0.162 0.000 1.215 467 A CA 2.984 54.954 52.037 -0.111 0.000 0.648 467 A CB -0.589 18.410 19.000 -0.001 0.000 0.832 467 A HN 1.448 nan 8.150 nan 0.000 0.455 468 L N 0.029 121.217 121.223 -0.058 0.000 2.046 468 L HA -0.035 4.305 4.340 0.001 0.000 0.208 468 L C 2.424 179.267 176.870 -0.046 0.000 1.077 468 L CA 2.488 57.304 54.840 -0.039 0.000 0.747 468 L CB -1.370 40.707 42.059 0.029 0.000 0.896 468 L HN 0.349 nan 8.230 nan 0.000 0.432 469 G N -0.469 108.311 108.800 -0.032 0.000 2.459 469 G HA2 -0.305 3.656 3.960 0.001 0.000 0.217 469 G HA3 -0.305 3.656 3.960 0.001 0.000 0.217 469 G C 1.663 176.538 174.900 -0.042 0.000 1.183 469 G CA 1.022 46.106 45.100 -0.027 0.000 0.776 469 G HN 0.463 nan 8.290 nan 0.000 0.552 470 K N 0.019 120.382 120.400 -0.061 0.000 2.057 470 K HA 0.046 4.366 4.320 0.001 0.000 0.207 470 K C 2.478 179.031 176.600 -0.078 0.000 1.049 470 K CA 0.947 57.194 56.287 -0.068 0.000 0.931 470 K CB -0.268 32.185 32.500 -0.079 0.000 0.714 470 K HN 0.352 nan 8.250 nan 0.000 0.440 471 I N 1.080 121.583 120.570 -0.112 0.000 2.099 471 I HA -0.264 3.906 4.170 0.001 0.000 0.239 471 I C 2.614 178.696 176.117 -0.059 0.000 1.066 471 I CA 1.669 62.905 61.300 -0.107 0.000 1.324 471 I CB -1.066 36.844 38.000 -0.150 0.000 1.037 471 I HN 0.305 nan 8.210 nan 0.000 0.401 472 G N 0.283 109.057 108.800 -0.045 0.000 2.491 472 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 472 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 472 G C 1.640 176.527 174.900 -0.023 0.000 1.180 472 G CA 1.738 46.823 45.100 -0.024 0.000 0.774 472 G HN 0.330 nan 8.290 nan 0.000 0.562 473 T N 1.305 115.843 114.554 -0.026 0.000 2.684 473 T HA -0.064 4.286 4.350 0.001 0.000 0.267 473 T C 2.431 177.118 174.700 -0.021 0.000 1.036 473 T CA 1.106 63.194 62.100 -0.021 0.000 1.148 473 T CB -0.248 68.606 68.868 -0.022 0.000 0.863 473 T HN 0.150 nan 8.240 nan 0.000 0.436 474 L N 0.306 121.512 121.223 -0.028 0.000 2.046 474 L HA -0.086 4.254 4.340 0.001 0.000 0.208 474 L C 2.461 179.318 176.870 -0.021 0.000 1.077 474 L CA 0.732 55.557 54.840 -0.026 0.000 0.747 474 L CB -0.486 41.553 42.059 -0.034 0.000 0.896 474 L HN 0.233 nan 8.230 nan 0.000 0.432 475 L N -0.168 121.043 121.223 -0.021 0.000 2.056 475 L HA -0.088 4.253 4.340 0.001 0.000 0.207 475 L C 2.585 179.449 176.870 -0.011 0.000 1.078 475 L CA 2.026 56.857 54.840 -0.015 0.000 0.749 475 L CB -1.962 40.089 42.059 -0.013 0.000 0.901 475 L HN 0.225 nan 8.230 nan 0.000 0.433 476 G N -1.573 107.221 108.800 -0.011 0.000 2.453 476 G HA2 -0.270 3.690 3.960 0.001 0.000 0.215 476 G HA3 -0.270 3.690 3.960 0.001 0.000 0.215 476 G C 1.585 176.480 174.900 -0.008 0.000 1.201 476 G CA 1.212 46.307 45.100 -0.008 0.000 0.784 476 G HN 0.312 nan 8.290 nan 0.000 0.545 477 T N 1.577 116.125 114.554 -0.010 0.000 2.721 477 T HA -0.103 4.248 4.350 0.001 0.000 0.268 477 T C 2.494 177.189 174.700 -0.008 0.000 1.038 477 T CA 1.612 63.706 62.100 -0.009 0.000 1.145 477 T CB -0.340 68.521 68.868 -0.012 0.000 0.858 477 T HN 0.377 nan 8.240 nan 0.000 0.459 478 A N -0.021 122.794 122.820 -0.009 0.000 2.235 478 A HA 0.465 4.785 4.320 0.001 0.000 0.208 478 A C 1.971 179.552 177.584 -0.006 0.000 1.172 478 A CA 1.035 53.068 52.037 -0.008 0.000 0.786 478 A CB -0.906 18.088 19.000 -0.009 0.000 0.804 478 A HN 0.754 nan 8.150 nan 0.000 0.479 479 G N -1.645 107.152 108.800 -0.006 0.000 2.184 479 G HA2 -0.241 3.719 3.960 0.001 0.000 0.264 479 G HA3 -0.241 3.719 3.960 0.001 0.000 0.264 479 G C 0.281 175.179 174.900 -0.004 0.000 0.975 479 G CA 0.269 45.367 45.100 -0.004 0.000 0.642 479 G HN 0.802 nan 8.290 nan 0.000 0.536 480 V N 1.017 120.928 119.914 -0.004 0.000 2.521 480 V HA 0.354 4.474 4.120 0.001 0.000 0.286 480 V C 0.675 176.767 176.094 -0.003 0.000 1.034 480 V CA 0.214 62.512 62.300 -0.004 0.000 1.045 480 V CB 1.235 33.055 31.823 -0.005 0.000 0.974 480 V HN 0.532 nan 8.190 nan 0.000 0.480 481 N N 4.596 123.296 118.700 -0.001 0.000 2.456 481 N HA 0.479 5.219 4.740 0.001 0.000 0.288 481 N C -0.690 174.820 175.510 0.002 0.000 1.059 481 N CA -0.579 52.471 53.050 0.000 0.000 0.946 481 N CB 0.926 39.414 38.487 0.001 0.000 1.150 481 N HN 0.597 nan 8.380 nan 0.000 0.479 482 I N 2.634 123.207 120.570 0.004 0.000 2.353 482 I HA 0.145 4.315 4.170 0.001 0.000 0.293 482 I C 1.036 177.159 176.117 0.009 0.000 0.992 482 I CA -0.407 60.898 61.300 0.007 0.000 1.268 482 I CB 1.708 39.715 38.000 0.011 0.000 1.387 482 I HN 0.646 nan 8.210 nan 0.000 0.478 483 Q N 4.207 124.012 119.800 0.009 0.000 2.297 483 Q HA 0.333 4.674 4.340 0.001 0.000 0.203 483 Q C 0.271 176.281 176.000 0.017 0.000 0.931 483 Q CA 0.440 56.249 55.803 0.010 0.000 0.885 483 Q CB 0.606 29.347 28.738 0.006 0.000 0.991 483 Q HN 0.847 nan 8.270 nan 0.000 0.498 484 A N -0.540 122.293 122.820 0.022 0.000 2.586 484 A HA 0.826 5.146 4.320 0.001 0.000 0.291 484 A C -1.840 175.770 177.584 0.043 0.000 1.062 484 A CA -0.073 51.984 52.037 0.035 0.000 0.666 484 A CB 1.158 20.180 19.000 0.035 0.000 1.281 484 A HN 0.111 nan 8.150 nan 0.000 0.421 485 A N 0.071 122.930 122.820 0.064 0.000 2.571 485 A HA 0.699 5.020 4.320 0.001 0.000 0.296 485 A C -1.733 175.924 177.584 0.122 0.000 1.005 485 A CA -0.353 51.734 52.037 0.083 0.000 0.682 485 A CB 0.944 19.985 19.000 0.070 0.000 1.292 485 A HN 1.216 nan 8.150 nan 0.000 0.420 486 Q N 1.146 121.053 119.800 0.178 0.000 2.352 486 Q HA 0.622 4.962 4.340 0.001 0.000 0.270 486 Q C -1.468 174.727 176.000 0.326 0.000 1.006 486 Q CA -0.913 55.036 55.803 0.244 0.000 0.880 486 Q CB 2.805 31.745 28.738 0.336 0.000 1.392 486 Q HN 1.223 nan 8.270 nan 0.000 0.401 487 L N -0.326 121.046 121.223 0.248 0.000 2.424 487 L HA 0.903 5.243 4.340 0.001 0.000 0.258 487 L C -1.292 175.655 176.870 0.127 0.000 0.995 487 L CA -0.471 54.527 54.840 0.262 0.000 0.821 487 L CB 1.925 44.134 42.059 0.251 0.000 1.383 487 L HN 0.806 nan 8.230 nan 0.000 0.410 488 S N 0.268 116.018 115.700 0.084 0.000 2.564 488 S HA 0.580 5.050 4.470 0.001 0.000 0.274 488 S C -0.748 173.854 174.600 0.004 0.000 1.124 488 S CA -0.776 57.421 58.200 -0.006 0.000 0.869 488 S CB 1.875 64.999 63.200 -0.127 0.000 1.105 488 S HN 0.891 nan 8.310 nan 0.000 0.472 489 E N 1.241 121.440 120.200 -0.001 0.000 2.390 489 E HA 0.315 4.666 4.350 0.001 0.000 0.261 489 E C -1.004 175.587 176.600 -0.015 0.000 1.076 489 E CA -0.557 55.840 56.400 -0.005 0.000 0.905 489 E CB 0.231 29.935 29.700 0.007 0.000 0.984 489 E HN 0.553 nan 8.360 nan 0.000 0.427 490 D N 0.727 121.121 120.400 -0.011 0.000 2.383 490 D HA 0.152 4.793 4.640 0.001 0.000 0.248 490 D C 0.971 177.264 176.300 -0.013 0.000 1.170 490 D CA 0.101 54.093 54.000 -0.013 0.000 0.977 490 D CB 1.043 41.846 40.800 0.004 0.000 1.120 490 D HN 0.606 nan 8.370 nan 0.000 0.481 491 A N 0.438 123.248 122.820 -0.018 0.000 1.851 491 A HA -0.210 4.110 4.320 0.001 0.000 0.216 491 A C 1.771 179.350 177.584 -0.009 0.000 1.195 491 A CA 2.141 54.170 52.037 -0.013 0.000 0.622 491 A CB -0.255 18.736 19.000 -0.015 0.000 0.831 491 A HN 0.566 nan 8.150 nan 0.000 0.444 492 E N -2.025 118.168 120.200 -0.010 0.000 2.505 492 E HA 0.247 4.597 4.350 0.001 0.000 0.212 492 E C 1.045 177.642 176.600 -0.005 0.000 0.825 492 E CA 0.525 56.921 56.400 -0.007 0.000 1.333 492 E CB -0.033 29.661 29.700 -0.010 0.000 1.319 492 E HN 0.473 nan 8.360 nan 0.000 0.658 493 G N 1.374 110.168 108.800 -0.009 0.000 2.699 493 G HA2 0.192 4.153 3.960 0.001 0.000 0.246 493 G HA3 0.192 4.153 3.960 0.001 0.000 0.246 493 G C -1.591 173.314 174.900 0.010 0.000 1.219 493 G CA -0.401 44.692 45.100 -0.011 0.000 0.866 493 G HN 0.175 nan 8.290 nan 0.000 0.572 494 P HA 0.212 nan 4.420 nan 0.000 0.253 494 P C 0.548 177.890 177.300 0.071 0.000 1.459 494 P CA 0.120 63.250 63.100 0.050 0.000 0.908 494 P CB 0.472 32.212 31.700 0.067 0.000 1.470 495 G N -0.358 108.473 108.800 0.052 0.000 2.932 495 G HA2 0.735 4.695 3.960 0.001 0.000 0.283 495 G HA3 0.735 4.695 3.960 0.001 0.000 0.283 495 G C -1.530 173.347 174.900 -0.038 0.000 1.336 495 G CA -0.590 44.536 45.100 0.044 0.000 1.056 495 G HN 0.263 nan 8.290 nan 0.000 0.522 496 A N -1.165 121.532 122.820 -0.206 0.000 2.606 496 A HA 0.850 5.171 4.320 0.001 0.000 0.293 496 A C -0.440 176.916 177.584 -0.380 0.000 1.082 496 A CA -0.491 51.382 52.037 -0.273 0.000 0.685 496 A CB 1.442 20.261 19.000 -0.303 0.000 1.284 496 A HN 0.870 nan 8.150 nan 0.000 0.408 497 T N 0.826 115.323 114.554 -0.096 0.000 2.932 497 T HA 0.779 5.129 4.350 0.001 0.000 0.289 497 T C -0.666 174.172 174.700 0.229 0.000 1.039 497 T CA -0.333 61.816 62.100 0.081 0.000 1.024 497 T CB 1.371 70.337 68.868 0.164 0.000 1.090 497 T HN 0.765 nan 8.240 nan 0.000 0.496 498 I N 1.447 122.193 120.570 0.293 0.000 2.775 498 I HA 0.528 4.699 4.170 0.001 0.000 0.295 498 I C -1.998 174.200 176.117 0.136 0.000 1.287 498 I CA -0.991 60.487 61.300 0.297 0.000 1.029 498 I CB 1.921 40.149 38.000 0.379 0.000 1.282 498 I HN 0.496 nan 8.210 nan 0.000 0.426 499 L N 7.645 128.914 121.223 0.076 0.000 2.372 499 L HA 0.593 4.933 4.340 0.001 0.000 0.274 499 L C -1.752 175.123 176.870 0.009 0.000 0.988 499 L CA -0.542 54.265 54.840 -0.056 0.000 0.833 499 L CB 1.530 43.407 42.059 -0.305 0.000 1.236 499 L HN 0.461 nan 8.230 nan 0.000 0.410 500 L N 4.452 125.677 121.223 0.004 0.000 2.362 500 L HA 0.547 4.887 4.340 0.001 0.000 0.275 500 L C -0.149 176.720 176.870 -0.002 0.000 0.998 500 L CA -0.424 54.424 54.840 0.014 0.000 0.820 500 L CB 1.774 43.845 42.059 0.020 0.000 1.270 500 L HN 0.454 nan 8.230 nan 0.000 0.415 501 R N 2.828 123.329 120.500 0.003 0.000 2.210 501 R HA 0.534 4.874 4.340 0.001 0.000 0.338 501 R C -1.088 175.212 176.300 -0.000 0.000 1.062 501 R CA -0.566 55.532 56.100 -0.003 0.000 0.902 501 R CB 0.368 30.667 30.300 -0.002 0.000 1.050 501 R HN 0.400 nan 8.270 nan 0.000 0.461 502 L N 3.905 125.126 121.223 -0.003 0.000 2.379 502 L HA 0.167 4.508 4.340 0.001 0.000 0.269 502 L C 1.123 177.991 176.870 -0.003 0.000 1.084 502 L CA -0.183 54.656 54.840 -0.002 0.000 0.802 502 L CB 1.277 43.334 42.059 -0.003 0.000 1.175 502 L HN 0.734 nan 8.230 nan 0.000 0.448 503 D N 0.254 120.653 120.400 -0.002 0.000 2.349 503 D HA -0.041 4.599 4.640 0.001 0.000 0.224 503 D C 0.149 176.447 176.300 -0.003 0.000 1.029 503 D CA 0.226 54.224 54.000 -0.003 0.000 0.879 503 D CB 0.545 41.344 40.800 -0.002 0.000 0.906 503 D HN 0.701 nan 8.370 nan 0.000 0.528 504 Q N -1.494 118.304 119.800 -0.004 0.000 2.721 504 Q HA 0.213 4.553 4.340 0.001 0.000 0.282 504 Q C -1.776 174.222 176.000 -0.004 0.000 0.932 504 Q CA -0.983 54.818 55.803 -0.003 0.000 0.816 504 Q CB 0.306 29.042 28.738 -0.003 0.000 1.506 504 Q HN -0.179 nan 8.270 nan 0.000 0.399 505 D N 0.290 120.688 120.400 -0.003 0.000 2.368 505 D HA 0.269 4.910 4.640 0.001 0.000 0.240 505 D C -0.696 175.602 176.300 -0.003 0.000 1.169 505 D CA -0.096 53.902 54.000 -0.003 0.000 0.906 505 D CB 1.399 42.197 40.800 -0.002 0.000 1.187 505 D HN 0.372 nan 8.370 nan 0.000 0.435 506 V N 5.051 124.963 119.914 -0.003 0.000 2.385 506 V HA 0.261 4.381 4.120 0.001 0.000 0.269 506 V C -1.783 174.310 176.094 -0.003 0.000 1.043 506 V CA -1.388 60.910 62.300 -0.004 0.000 0.906 506 V CB 0.889 32.710 31.823 -0.004 0.000 0.995 506 V HN 0.582 nan 8.190 nan 0.000 0.467 507 P HA 0.020 nan 4.420 nan 0.000 0.266 507 P C 0.513 177.811 177.300 -0.003 0.000 1.193 507 P CA 0.049 63.148 63.100 -0.003 0.000 0.770 507 P CB 0.914 32.612 31.700 -0.004 0.000 0.836 508 D N 1.340 121.738 120.400 -0.002 0.000 2.158 508 D HA -0.183 4.458 4.640 0.001 0.000 0.197 508 D C 0.923 177.221 176.300 -0.003 0.000 0.995 508 D CA 1.627 55.626 54.000 -0.002 0.000 0.846 508 D CB -0.321 40.479 40.800 -0.000 0.000 0.941 508 D HN 0.401 nan 8.370 nan 0.000 0.456 509 D N -0.858 119.539 120.400 -0.005 0.000 2.144 509 D HA -0.103 4.537 4.640 0.001 0.000 0.200 509 D C 2.191 178.486 176.300 -0.009 0.000 0.978 509 D CA 0.549 54.545 54.000 -0.006 0.000 0.833 509 D CB -0.088 40.708 40.800 -0.006 0.000 0.961 509 D HN 0.117 nan 8.370 nan 0.000 0.470 510 V N 0.582 120.491 119.914 -0.009 0.000 2.427 510 V HA -0.185 3.935 4.120 0.001 0.000 0.248 510 V C 2.328 178.414 176.094 -0.013 0.000 1.051 510 V CA 1.461 63.754 62.300 -0.012 0.000 1.048 510 V CB -0.433 31.383 31.823 -0.011 0.000 0.666 510 V HN 0.113 nan 8.190 nan 0.000 0.456 511 R N 0.069 120.564 120.500 -0.009 0.000 2.080 511 R HA -0.163 4.178 4.340 0.001 0.000 0.236 511 R C 2.436 178.731 176.300 -0.009 0.000 1.137 511 R CA 2.160 58.256 56.100 -0.007 0.000 0.943 511 R CB -0.855 29.444 30.300 -0.001 0.000 0.846 511 R HN 0.530 nan 8.270 nan 0.000 0.431 512 T N 0.751 115.300 114.554 -0.008 0.000 2.746 512 T HA -0.154 4.196 4.350 0.001 0.000 0.267 512 T C 1.950 176.640 174.700 -0.018 0.000 1.039 512 T CA 1.381 63.475 62.100 -0.011 0.000 1.142 512 T CB -0.298 68.565 68.868 -0.008 0.000 0.866 512 T HN 0.391 nan 8.240 nan 0.000 0.444 513 A N 1.633 124.442 122.820 -0.019 0.000 1.902 513 A HA -0.028 4.292 4.320 0.001 0.000 0.217 513 A C 2.305 179.869 177.584 -0.033 0.000 1.181 513 A CA 1.046 53.069 52.037 -0.024 0.000 0.623 513 A CB -0.666 18.322 19.000 -0.021 0.000 0.818 513 A HN 0.418 nan 8.150 nan 0.000 0.443 514 I N -0.043 120.506 120.570 -0.034 0.000 2.179 514 I HA -0.284 3.887 4.170 0.001 0.000 0.242 514 I C 3.007 179.091 176.117 -0.054 0.000 1.088 514 I CA 1.542 62.813 61.300 -0.049 0.000 1.357 514 I CB -1.546 36.428 38.000 -0.042 0.000 1.051 514 I HN 0.382 nan 8.210 nan 0.000 0.409 515 A N 1.223 124.022 122.820 -0.035 0.000 1.873 515 A HA -0.205 4.115 4.320 0.001 0.000 0.218 515 A C 2.586 180.142 177.584 -0.047 0.000 1.193 515 A CA 2.471 54.490 52.037 -0.030 0.000 0.629 515 A CB -0.968 18.023 19.000 -0.015 0.000 0.826 515 A HN 0.451 nan 8.150 nan 0.000 0.447 516 A N -0.544 122.251 122.820 -0.043 0.000 1.978 516 A HA 0.154 4.475 4.320 0.001 0.000 0.220 516 A C 2.437 179.988 177.584 -0.055 0.000 1.170 516 A CA 2.142 54.151 52.037 -0.046 0.000 0.636 516 A CB -0.847 18.132 19.000 -0.035 0.000 0.810 516 A HN 1.085 nan 8.150 nan 0.000 0.448 517 A N -0.366 122.418 122.820 -0.059 0.000 1.897 517 A HA 0.101 4.421 4.320 0.001 0.000 0.215 517 A C 1.950 179.487 177.584 -0.078 0.000 1.181 517 A CA 1.753 53.751 52.037 -0.064 0.000 0.620 517 A CB -0.709 18.251 19.000 -0.066 0.000 0.821 517 A HN 1.063 nan 8.150 nan 0.000 0.443 518 V N -4.101 115.752 119.914 -0.102 0.000 3.621 518 V HA 0.213 4.333 4.120 0.001 0.000 0.285 518 V C -0.304 175.753 176.094 -0.061 0.000 1.346 518 V CA 0.220 62.453 62.300 -0.111 0.000 1.104 518 V CB -0.606 31.047 31.823 -0.284 0.000 0.913 518 V HN 0.408 nan 8.190 nan 0.000 0.432 519 D N 1.170 121.513 120.400 -0.095 0.000 2.705 519 D HA -0.156 4.485 4.640 0.001 0.000 0.240 519 D C 0.555 176.703 176.300 -0.253 0.000 1.137 519 D CA 1.201 55.099 54.000 -0.169 0.000 0.677 519 D CB -1.077 39.603 40.800 -0.200 0.000 1.049 519 D HN 0.988 nan 8.370 nan 0.000 0.427 520 A N 0.092 122.840 122.820 -0.120 0.000 2.524 520 A HA 0.206 4.527 4.320 0.001 0.000 0.250 520 A C 0.951 178.461 177.584 -0.123 0.000 1.078 520 A CA 0.116 52.128 52.037 -0.042 0.000 0.761 520 A CB 0.207 19.233 19.000 0.043 0.000 1.012 520 A HN 0.321 nan 8.150 nan 0.000 0.500 521 Y N 1.457 121.732 120.300 -0.043 0.000 2.395 521 Y HA 0.102 4.652 4.550 0.001 0.000 0.293 521 Y C 1.190 177.105 175.900 0.025 0.000 1.123 521 Y CA 1.847 59.910 58.100 -0.063 0.000 1.227 521 Y CB 0.256 38.581 38.460 -0.226 0.000 1.012 521 Y HN 0.679 nan 8.280 nan 0.000 0.552 522 K N 0.097 120.629 120.400 0.220 0.000 2.580 522 K HA 0.430 4.751 4.320 0.001 0.000 0.258 522 K C -2.306 174.390 176.600 0.161 0.000 0.936 522 K CA -0.589 55.808 56.287 0.182 0.000 0.852 522 K CB 1.234 33.864 32.500 0.216 0.000 1.329 522 K HN 0.058 nan 8.250 nan 0.000 0.430 523 L N 2.606 123.891 121.223 0.102 0.000 2.401 523 L HA 0.666 5.006 4.340 0.001 0.000 0.266 523 L C -1.559 175.343 176.870 0.052 0.000 0.991 523 L CA -0.297 54.591 54.840 0.080 0.000 0.818 523 L CB 1.959 44.051 42.059 0.056 0.000 1.321 523 L HN 0.761 nan 8.230 nan 0.000 0.413 524 E N 3.422 123.646 120.200 0.039 0.000 2.375 524 E HA 0.450 4.800 4.350 0.001 0.000 0.280 524 E C -1.682 174.923 176.600 0.008 0.000 0.972 524 E CA -0.519 55.893 56.400 0.019 0.000 0.782 524 E CB 2.691 32.399 29.700 0.013 0.000 1.229 524 E HN 0.329 nan 8.360 nan 0.000 0.439 525 V N 1.407 121.323 119.914 0.002 0.000 2.483 525 V HA 0.546 4.666 4.120 0.001 0.000 0.297 525 V C -0.443 175.646 176.094 -0.008 0.000 1.027 525 V CA -0.835 61.463 62.300 -0.004 0.000 0.855 525 V CB 1.914 33.736 31.823 -0.002 0.000 0.995 525 V HN 0.443 nan 8.190 nan 0.000 0.424 526 V N 3.287 123.192 119.914 -0.015 0.000 2.962 526 V HA 0.679 4.800 4.120 0.001 0.000 0.313 526 V C -1.565 174.518 176.094 -0.017 0.000 1.099 526 V CA -0.432 61.859 62.300 -0.016 0.000 0.971 526 V CB 2.496 34.306 31.823 -0.021 0.000 1.028 526 V HN 0.949 nan 8.190 nan 0.000 0.430 527 D N 5.165 125.556 120.400 -0.014 0.000 2.460 527 D HA 0.267 4.907 4.640 0.001 0.000 0.232 527 D C 0.138 176.430 176.300 -0.014 0.000 1.079 527 D CA -0.401 53.591 54.000 -0.013 0.000 0.864 527 D CB 1.315 42.110 40.800 -0.007 0.000 1.048 527 D HN 0.329 nan 8.370 nan 0.000 0.523 528 L N 2.769 123.980 121.223 -0.019 0.000 2.718 528 L HA 0.158 4.499 4.340 0.001 0.000 0.242 528 L C 0.881 177.740 176.870 -0.018 0.000 1.203 528 L CA 0.128 54.956 54.840 -0.021 0.000 1.011 528 L CB -1.994 40.047 42.059 -0.030 0.000 1.250 528 L HN 0.214 nan 8.230 nan 0.000 0.437 529 S N 0.000 115.692 115.700 -0.013 0.000 2.498 529 S HA 0.000 4.470 4.470 0.001 0.000 0.327 529 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 529 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 529 S HN 0.000 nan 8.310 nan 0.000 0.517