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 3c2w_1_D DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT ADTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXDCCGVLAI RFHRQESGWI FWFRHEEVHR IRWGXXXEKL LTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL NH 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.713 174.700 0.021 0.000 1.109 5 T CA 0.000 62.112 62.100 0.019 0.000 1.349 5 T CB 0.000 68.879 68.868 0.019 0.000 0.612 6 P HA 0.275 nan 4.420 nan 0.000 0.264 6 P C -0.057 177.257 177.300 0.024 0.000 1.229 6 P CA -0.530 62.583 63.100 0.022 0.000 0.780 6 P CB -0.012 31.699 31.700 0.019 0.000 0.808 7 V N 2.005 121.936 119.914 0.027 0.000 2.493 7 V HA 0.229 4.349 4.120 0.001 0.000 0.292 7 V C 0.810 176.922 176.094 0.031 0.000 1.016 7 V CA -0.339 61.979 62.300 0.031 0.000 1.097 7 V CB -0.310 31.536 31.823 0.037 0.000 0.947 7 V HN 0.698 nan 8.190 nan 0.000 0.479 8 T N 2.670 117.241 114.554 0.029 0.000 2.892 8 T HA 0.503 4.854 4.350 0.001 0.000 0.280 8 T C 0.799 175.518 174.700 0.032 0.000 1.004 8 T CA -0.867 61.249 62.100 0.027 0.000 0.950 8 T CB 1.017 69.899 68.868 0.022 0.000 1.309 8 T HN 0.296 nan 8.240 nan 0.000 0.592 9 L N 0.039 121.280 121.223 0.030 0.000 2.552 9 L HA 0.243 4.584 4.340 0.001 0.000 0.227 9 L C 2.496 179.385 176.870 0.032 0.000 1.146 9 L CA 1.092 55.952 54.840 0.034 0.000 0.858 9 L CB -2.064 40.013 42.059 0.029 0.000 0.969 9 L HN 0.934 nan 8.230 nan 0.000 0.451 10 A N -0.379 122.457 122.820 0.027 0.000 2.014 10 A HA -0.056 4.265 4.320 0.001 0.000 0.210 10 A C 2.018 179.618 177.584 0.026 0.000 1.188 10 A CA 0.583 52.635 52.037 0.025 0.000 0.731 10 A CB -0.274 18.738 19.000 0.021 0.000 0.858 10 A HN 0.350 nan 8.150 nan 0.000 0.464 11 N N -0.724 117.992 118.700 0.027 0.000 2.463 11 N HA -0.075 4.665 4.740 0.001 0.000 0.181 11 N C 1.383 176.913 175.510 0.033 0.000 1.078 11 N CA 0.836 53.903 53.050 0.028 0.000 0.902 11 N CB -0.704 37.800 38.487 0.028 0.000 0.970 11 N HN 0.442 nan 8.380 nan 0.000 0.451 12 C N 0.917 120.239 119.300 0.036 0.000 2.336 12 C HA -0.144 4.316 4.460 0.001 0.000 0.275 12 C C 2.186 177.199 174.990 0.038 0.000 1.175 12 C CA 1.098 60.142 59.018 0.043 0.000 1.771 12 C CB -0.880 26.891 27.740 0.051 0.000 2.030 12 C HN 0.471 nan 8.230 nan 0.000 0.442 13 E N 0.052 120.272 120.200 0.032 0.000 2.463 13 E HA -0.102 4.249 4.350 0.001 0.000 0.201 13 E C 1.107 177.718 176.600 0.019 0.000 1.045 13 E CA 0.945 57.359 56.400 0.023 0.000 0.872 13 E CB -0.468 29.243 29.700 0.019 0.000 0.797 13 E HN 0.713 nan 8.360 nan 0.000 0.538 14 D N 0.098 120.514 120.400 0.027 0.000 2.433 14 D HA -0.014 4.627 4.640 0.001 0.000 0.211 14 D C 0.346 176.675 176.300 0.048 0.000 1.114 14 D CA -0.047 53.972 54.000 0.032 0.000 0.837 14 D CB 0.357 41.175 40.800 0.029 0.000 0.984 14 D HN 0.187 nan 8.370 nan 0.000 0.505 15 E N 2.324 122.553 120.200 0.047 0.000 2.417 15 E HA 0.062 4.412 4.350 0.001 0.000 0.261 15 E C -2.337 174.315 176.600 0.086 0.000 1.000 15 E CA -1.407 55.026 56.400 0.055 0.000 0.919 15 E CB 0.884 30.612 29.700 0.047 0.000 0.955 15 E HN -0.154 nan 8.360 nan 0.000 0.455 16 P HA 0.130 nan 4.420 nan 0.000 0.280 16 P C -0.383 176.949 177.300 0.054 0.000 1.386 16 P CA -0.026 63.175 63.100 0.169 0.000 0.899 16 P CB 0.281 31.967 31.700 -0.024 0.000 1.098 17 I N 1.471 122.145 120.570 0.175 0.000 3.793 17 I HA -0.032 4.138 4.170 0.001 0.000 0.315 17 I C 1.994 178.145 176.117 0.057 0.000 1.275 17 I CA 0.458 61.793 61.300 0.060 0.000 1.214 17 I CB -0.955 37.050 38.000 0.007 0.000 1.018 17 I HN 0.388 nan 8.210 nan 0.000 0.439 18 H N 0.985 120.030 119.070 -0.043 0.000 2.497 18 H HA 0.244 4.801 4.556 0.001 0.000 0.282 18 H C 0.983 176.317 175.328 0.011 0.000 1.003 18 H CA 1.028 57.051 56.048 -0.041 0.000 1.307 18 H CB -0.503 29.241 29.762 -0.031 0.000 1.437 18 H HN 0.282 nan 8.280 nan 0.000 0.544 19 V N -0.591 119.066 119.914 -0.427 0.000 2.361 19 V HA 0.375 4.495 4.120 0.001 0.000 0.252 19 V C -2.570 173.445 176.094 -0.132 0.000 0.986 19 V CA -1.477 60.692 62.300 -0.218 0.000 1.033 19 V CB 1.557 33.231 31.823 -0.248 0.000 1.282 19 V HN -0.022 nan 8.190 nan 0.000 0.514 20 P HA 0.283 nan 4.420 nan 0.000 0.251 20 P C 1.241 178.535 177.300 -0.010 0.000 1.223 20 P CA 0.947 64.030 63.100 -0.028 0.000 0.796 20 P CB 0.339 32.036 31.700 -0.004 0.000 1.068 21 G N 0.346 109.162 108.800 0.026 0.000 2.393 21 G HA2 0.010 3.971 3.960 0.001 0.000 0.299 21 G HA3 0.010 3.971 3.960 0.001 0.000 0.299 21 G C 0.123 174.986 174.900 -0.061 0.000 0.990 21 G CA 0.211 45.335 45.100 0.040 0.000 1.118 21 G HN 0.707 nan 8.290 nan 0.000 0.513 22 A N -0.460 122.341 122.820 -0.033 0.000 2.565 22 A HA 0.759 5.080 4.320 0.001 0.000 0.298 22 A C -0.206 177.387 177.584 0.015 0.000 1.062 22 A CA -0.181 51.835 52.037 -0.034 0.000 0.723 22 A CB 1.040 20.030 19.000 -0.017 0.000 1.282 22 A HN 1.819 nan 8.150 nan 0.000 0.400 23 I N -1.038 119.544 120.570 0.020 0.000 2.982 23 I HA 0.675 4.845 4.170 0.001 0.000 0.312 23 I C -0.097 176.070 176.117 0.083 0.000 1.041 23 I CA -1.025 60.292 61.300 0.028 0.000 1.053 23 I CB 1.550 39.546 38.000 -0.007 0.000 1.248 23 I HN 0.676 nan 8.210 nan 0.000 0.471 24 Q N 2.014 121.843 119.800 0.048 0.000 2.299 24 Q HA 0.278 4.618 4.340 0.001 0.000 0.246 24 Q C -1.941 174.105 176.000 0.076 0.000 0.935 24 Q CA -1.529 54.339 55.803 0.107 0.000 0.887 24 Q CB 0.819 29.603 28.738 0.076 0.000 1.223 24 Q HN 0.470 nan 8.270 nan 0.000 0.439 25 P HA -0.126 nan 4.420 nan 0.000 0.239 25 P C 0.165 177.527 177.300 0.104 0.000 1.184 25 P CA 1.088 64.263 63.100 0.125 0.000 0.760 25 P CB -0.068 31.730 31.700 0.164 0.000 0.884 26 H N -2.228 116.881 119.070 0.066 0.000 2.533 26 H HA 0.462 5.019 4.556 0.001 0.000 0.271 26 H C 0.682 176.053 175.328 0.072 0.000 1.000 26 H CA 0.038 56.115 56.048 0.048 0.000 1.149 26 H CB -0.116 29.660 29.762 0.022 0.000 1.375 26 H HN 0.015 nan 8.280 nan 0.000 0.582 27 G N -1.161 107.471 108.800 -0.280 0.000 2.548 27 G HA2 0.619 4.580 3.960 0.001 0.000 0.301 27 G HA3 0.619 4.580 3.960 0.001 0.000 0.301 27 G C -1.684 173.194 174.900 -0.038 0.000 1.349 27 G CA -0.646 44.370 45.100 -0.139 0.000 0.792 27 G HN 0.573 nan 8.290 nan 0.000 0.481 28 A N -1.131 121.731 122.820 0.070 0.000 2.430 28 A HA 0.901 5.222 4.320 0.001 0.000 0.300 28 A C -1.568 176.096 177.584 0.133 0.000 1.124 28 A CA -0.656 51.426 52.037 0.074 0.000 0.766 28 A CB 2.031 21.049 19.000 0.032 0.000 1.328 28 A HN 1.802 nan 8.150 nan 0.000 0.424 29 L N 0.861 122.138 121.223 0.090 0.000 2.408 29 L HA 0.787 5.127 4.340 0.001 0.000 0.268 29 L C -1.490 175.430 176.870 0.083 0.000 0.986 29 L CA -0.395 54.504 54.840 0.098 0.000 0.820 29 L CB 2.275 44.360 42.059 0.043 0.000 1.303 29 L HN 0.446 nan 8.230 nan 0.000 0.411 30 V N 2.949 122.933 119.914 0.117 0.000 2.462 30 V HA 0.448 4.568 4.120 0.001 0.000 0.288 30 V C -0.097 175.993 176.094 -0.008 0.000 1.020 30 V CA -0.282 62.062 62.300 0.073 0.000 0.857 30 V CB 1.618 33.556 31.823 0.191 0.000 1.013 30 V HN 0.887 nan 8.190 nan 0.000 0.431 31 T N 3.260 117.734 114.554 -0.134 0.000 2.882 31 T HA 0.848 5.199 4.350 0.001 0.000 0.287 31 T C -0.772 173.817 174.700 -0.184 0.000 0.992 31 T CA -0.488 61.448 62.100 -0.273 0.000 1.076 31 T CB 1.655 70.207 68.868 -0.526 0.000 0.961 31 T HN 0.231 nan 8.240 nan 0.000 0.490 32 L N 1.927 123.044 121.223 -0.177 0.000 2.434 32 L HA 0.599 4.940 4.340 0.001 0.000 0.260 32 L C 0.260 177.101 176.870 -0.049 0.000 0.983 32 L CA -0.847 53.918 54.840 -0.125 0.000 0.820 32 L CB 2.527 44.498 42.059 -0.148 0.000 1.361 32 L HN 0.974 nan 8.230 nan 0.000 0.410 33 R N 1.555 122.014 120.500 -0.069 0.000 2.603 33 R HA 0.804 5.145 4.340 0.001 0.000 0.225 33 R C 0.925 177.210 176.300 -0.026 0.000 1.300 33 R CA 0.013 56.126 56.100 0.021 0.000 1.075 33 R CB 0.216 30.517 30.300 0.001 0.000 1.663 33 R HN 0.546 nan 8.270 nan 0.000 0.546 34 A N 0.443 123.294 122.820 0.051 0.000 1.948 34 A HA -0.274 4.046 4.320 0.001 0.000 0.220 34 A C 1.459 178.979 177.584 -0.107 0.000 1.177 34 A CA 2.230 54.289 52.037 0.036 0.000 0.636 34 A CB -1.170 17.872 19.000 0.069 0.000 0.815 34 A HN 0.901 nan 8.150 nan 0.000 0.449 35 D N -3.335 117.025 120.400 -0.066 0.000 2.333 35 D HA 0.341 4.982 4.640 0.001 0.000 0.208 35 D C 1.203 177.502 176.300 -0.002 0.000 0.984 35 D CA 1.008 55.007 54.000 -0.001 0.000 0.873 35 D CB -0.170 40.711 40.800 0.134 0.000 0.935 35 D HN 0.805 nan 8.370 nan 0.000 0.521 36 G N -0.129 108.556 108.800 -0.191 0.000 2.168 36 G HA2 -0.261 3.699 3.960 0.001 0.000 0.197 36 G HA3 -0.261 3.699 3.960 0.001 0.000 0.197 36 G C 0.061 174.677 174.900 -0.474 0.000 0.997 36 G CA -0.037 44.905 45.100 -0.264 0.000 0.658 36 G HN 0.372 nan 8.290 nan 0.000 0.513 37 M N 2.216 121.346 119.600 -0.783 0.000 2.219 37 M HA 0.516 4.996 4.480 0.001 0.000 0.353 37 M C 0.713 176.728 176.300 -0.475 0.000 1.304 37 M CA -0.339 54.293 55.300 -1.114 0.000 1.115 37 M CB 0.871 32.894 32.600 -0.962 0.000 1.664 37 M HN 0.032 nan 8.290 nan 0.000 0.459 38 V N 7.153 126.854 119.914 -0.354 0.000 2.599 38 V HA -0.079 4.041 4.120 0.001 0.000 0.300 38 V C 1.082 177.108 176.094 -0.113 0.000 1.034 38 V CA 0.326 62.526 62.300 -0.165 0.000 1.115 38 V CB 0.213 31.985 31.823 -0.084 0.000 0.934 38 V HN 0.961 nan 8.190 nan 0.000 0.485 39 L N 3.173 124.360 121.223 -0.061 0.000 2.445 39 L HA 0.590 4.930 4.340 0.001 0.000 0.207 39 L C 0.841 177.754 176.870 0.072 0.000 1.053 39 L CA 0.976 55.829 54.840 0.022 0.000 0.841 39 L CB 0.126 42.238 42.059 0.089 0.000 1.074 39 L HN 0.791 nan 8.230 nan 0.000 0.479 40 A N -0.563 122.263 122.820 0.009 0.000 2.586 40 A HA 0.826 5.146 4.320 0.001 0.000 0.290 40 A C -1.686 175.845 177.584 -0.089 0.000 1.086 40 A CA 0.155 52.194 52.037 0.004 0.000 0.665 40 A CB 1.305 20.364 19.000 0.098 0.000 1.279 40 A HN 0.088 nan 8.150 nan 0.000 0.423 41 A N -0.236 122.555 122.820 -0.047 0.000 2.567 41 A HA 0.952 5.272 4.320 0.001 0.000 0.289 41 A C -0.231 177.332 177.584 -0.035 0.000 1.177 41 A CA 0.194 52.203 52.037 -0.048 0.000 0.694 41 A CB 0.857 19.846 19.000 -0.018 0.000 1.292 41 A HN 2.353 nan 8.150 nan 0.000 0.425 42 S N -0.738 114.944 115.700 -0.029 0.000 2.537 42 S HA 0.500 4.971 4.470 0.001 0.000 0.301 42 S C 0.020 174.622 174.600 0.003 0.000 1.092 42 S CA -0.022 58.168 58.200 -0.016 0.000 1.048 42 S CB 1.307 64.493 63.200 -0.025 0.000 1.053 42 S HN 0.772 nan 8.310 nan 0.000 0.501 43 E N 0.834 121.057 120.200 0.039 0.000 2.463 43 E HA 0.061 4.412 4.350 0.001 0.000 0.191 43 E C 0.224 176.829 176.600 0.007 0.000 1.083 43 E CA -0.227 56.196 56.400 0.039 0.000 0.872 43 E CB -0.372 29.386 29.700 0.096 0.000 0.966 43 E HN 0.447 nan 8.360 nan 0.000 0.491 44 N N 1.180 119.878 118.700 -0.003 0.000 2.471 44 N HA 0.006 4.747 4.740 0.001 0.000 0.205 44 N C 1.078 176.547 175.510 -0.069 0.000 1.251 44 N CA 0.111 53.153 53.050 -0.013 0.000 0.843 44 N CB 0.055 38.548 38.487 0.011 0.000 1.044 44 N HN 0.396 nan 8.380 nan 0.000 0.461 45 I N -0.943 119.560 120.570 -0.112 0.000 2.202 45 I HA -0.148 4.023 4.170 0.001 0.000 0.242 45 I C 2.081 178.006 176.117 -0.320 0.000 1.091 45 I CA 1.407 62.560 61.300 -0.244 0.000 1.368 45 I CB -0.550 37.305 38.000 -0.241 0.000 1.058 45 I HN 0.021 nan 8.210 nan 0.000 0.410 46 Q N 0.461 120.139 119.800 -0.203 0.000 2.398 46 Q HA 0.204 4.544 4.340 0.001 0.000 0.204 46 Q C 2.235 178.181 176.000 -0.090 0.000 0.932 46 Q CA 0.754 56.454 55.803 -0.171 0.000 0.916 46 Q CB -0.001 28.678 28.738 -0.098 0.000 1.024 46 Q HN 0.612 nan 8.270 nan 0.000 0.504 47 A N 0.041 122.826 122.820 -0.059 0.000 1.902 47 A HA -0.145 4.175 4.320 0.001 0.000 0.217 47 A C 1.588 179.189 177.584 0.028 0.000 1.181 47 A CA 1.241 53.275 52.037 -0.005 0.000 0.623 47 A CB -0.100 18.904 19.000 0.006 0.000 0.818 47 A HN 0.371 nan 8.150 nan 0.000 0.443 48 L N -1.557 119.669 121.223 0.006 0.000 2.526 48 L HA 0.333 4.674 4.340 0.001 0.000 0.210 48 L C 0.367 177.254 176.870 0.029 0.000 1.048 48 L CA 0.586 55.499 54.840 0.123 0.000 0.852 48 L CB -0.210 41.965 42.059 0.193 0.000 1.128 48 L HN 0.211 nan 8.230 nan 0.000 0.482 49 L N -0.485 120.567 121.223 -0.286 0.000 2.289 49 L HA 0.403 4.743 4.340 0.001 0.000 0.285 49 L C 1.450 178.115 176.870 -0.341 0.000 1.049 49 L CA -0.325 54.218 54.840 -0.495 0.000 0.804 49 L CB 0.994 42.461 42.059 -0.987 0.000 1.195 49 L HN 0.159 nan 8.230 nan 0.000 0.428 50 G N 2.875 111.616 108.800 -0.099 0.000 2.615 50 G HA2 -0.088 3.873 3.960 0.001 0.000 0.213 50 G HA3 -0.088 3.873 3.960 0.001 0.000 0.213 50 G C 0.198 175.143 174.900 0.075 0.000 1.135 50 G CA 0.435 45.547 45.100 0.020 0.000 0.772 50 G HN 0.589 nan 8.290 nan 0.000 0.542 51 F N -2.488 117.409 119.950 -0.088 0.000 2.790 51 F HA 0.817 5.344 4.527 0.001 0.000 0.337 51 F C -1.027 174.730 175.800 -0.071 0.000 1.163 51 F CA -1.874 56.082 58.000 -0.073 0.000 0.997 51 F CB 1.346 40.298 39.000 -0.080 0.000 1.437 51 F HN -0.194 nan 8.300 nan 0.000 0.512 52 V N 1.101 121.130 119.914 0.193 0.000 2.588 52 V HA 0.752 4.873 4.120 0.001 0.000 0.304 52 V C -0.711 175.528 176.094 0.243 0.000 1.042 52 V CA -0.720 61.624 62.300 0.074 0.000 0.877 52 V CB 1.477 33.323 31.823 0.039 0.000 0.996 52 V HN 1.117 nan 8.190 nan 0.000 0.425 53 A N 3.554 126.467 122.820 0.156 0.000 2.322 53 A HA 0.695 5.016 4.320 0.001 0.000 0.327 53 A C 0.316 177.946 177.584 0.076 0.000 1.394 53 A CA -0.410 51.728 52.037 0.169 0.000 0.921 53 A CB 0.398 19.522 19.000 0.206 0.000 1.153 53 A HN 0.968 nan 8.150 nan 0.000 0.523 54 S N 2.677 118.415 115.700 0.063 0.000 2.545 54 S HA 0.514 4.985 4.470 0.001 0.000 0.275 54 S C -2.761 171.856 174.600 0.027 0.000 1.299 54 S CA -1.346 56.879 58.200 0.042 0.000 1.048 54 S CB 0.447 63.670 63.200 0.039 0.000 0.938 54 S HN 0.431 nan 8.310 nan 0.000 0.496 55 P HA 0.293 nan 4.420 nan 0.000 0.264 55 P C 1.047 178.353 177.300 0.010 0.000 1.229 55 P CA 0.808 63.920 63.100 0.019 0.000 0.780 55 P CB 0.193 31.920 31.700 0.045 0.000 0.808 56 G N 2.150 110.939 108.800 -0.018 0.000 2.617 56 G HA2 -0.171 3.790 3.960 0.001 0.000 0.197 56 G HA3 -0.171 3.790 3.960 0.001 0.000 0.197 56 G C 0.386 175.294 174.900 0.013 0.000 1.017 56 G CA 0.180 45.279 45.100 -0.003 0.000 0.713 56 G HN 0.708 nan 8.290 nan 0.000 0.481 57 S N -0.259 115.448 115.700 0.012 0.000 2.645 57 S HA 0.772 5.243 4.470 0.001 0.000 0.266 57 S C -0.134 174.474 174.600 0.013 0.000 1.258 57 S CA -0.442 57.797 58.200 0.065 0.000 0.990 57 S CB 1.567 64.797 63.200 0.050 0.000 0.967 57 S HN 0.411 nan 8.310 nan 0.000 0.556 58 Y N -0.559 119.722 120.300 -0.033 0.000 2.567 58 Y HA 0.475 5.026 4.550 0.001 0.000 0.333 58 Y C 0.155 176.018 175.900 -0.061 0.000 1.106 58 Y CA -1.384 56.687 58.100 -0.049 0.000 1.157 58 Y CB 0.921 39.346 38.460 -0.059 0.000 1.277 58 Y HN 0.423 nan 8.280 nan 0.000 0.490 59 L N 2.264 123.533 121.223 0.077 0.000 2.410 59 L HA 0.188 4.528 4.340 0.001 0.000 0.273 59 L C 0.498 177.355 176.870 -0.022 0.000 1.152 59 L CA 0.122 54.957 54.840 -0.009 0.000 0.855 59 L CB -0.041 42.006 42.059 -0.019 0.000 1.129 59 L HN 0.795 nan 8.230 nan 0.000 0.463 60 T N -0.445 114.050 114.554 -0.099 0.000 2.870 60 T HA 0.280 4.630 4.350 0.001 0.000 0.277 60 T C 0.658 175.283 174.700 -0.125 0.000 1.000 60 T CA -0.589 61.451 62.100 -0.100 0.000 0.982 60 T CB 1.969 70.773 68.868 -0.107 0.000 1.249 60 T HN 0.459 nan 8.240 nan 0.000 0.589 61 Q N 0.110 119.850 119.800 -0.101 0.000 2.036 61 Q HA -0.015 4.325 4.340 0.001 0.000 0.195 61 Q C 1.765 177.701 176.000 -0.108 0.000 0.971 61 Q CA 1.507 57.259 55.803 -0.085 0.000 0.826 61 Q CB -0.459 28.244 28.738 -0.057 0.000 0.896 61 Q HN 0.745 nan 8.270 nan 0.000 0.449 62 E N 0.636 120.768 120.200 -0.112 0.000 2.510 62 E HA -0.125 4.226 4.350 0.001 0.000 0.202 62 E C 1.733 178.228 176.600 -0.175 0.000 1.072 62 E CA 0.559 56.894 56.400 -0.109 0.000 0.883 62 E CB 0.126 29.775 29.700 -0.084 0.000 0.818 62 E HN 0.365 nan 8.360 nan 0.000 0.548 63 Q N -1.098 118.519 119.800 -0.305 0.000 2.013 63 Q HA 0.001 4.342 4.340 0.001 0.000 0.195 63 Q C 1.644 177.400 176.000 -0.406 0.000 0.974 63 Q CA 1.362 56.786 55.803 -0.632 0.000 0.826 63 Q CB 0.389 28.467 28.738 -1.100 0.000 0.895 63 Q HN 0.220 nan 8.270 nan 0.000 0.448 64 V N -1.704 118.069 119.914 -0.235 0.000 3.307 64 V HA 0.325 4.445 4.120 0.001 0.000 0.244 64 V C 0.499 176.610 176.094 0.028 0.000 1.196 64 V CA 0.668 62.951 62.300 -0.028 0.000 1.132 64 V CB 1.264 33.124 31.823 0.062 0.000 0.875 64 V HN 0.506 nan 8.190 nan 0.000 0.468 65 G N 0.416 109.218 108.800 0.002 0.000 2.316 65 G HA2 0.113 4.074 3.960 0.001 0.000 0.468 65 G HA3 0.113 4.074 3.960 0.001 0.000 0.468 65 G C -2.877 172.038 174.900 0.026 0.000 1.523 65 G CA -0.138 44.980 45.100 0.029 0.000 0.972 65 G HN -0.012 nan 8.290 nan 0.000 0.667 66 P HA 0.115 nan 4.420 nan 0.000 0.231 66 P C 1.113 178.432 177.300 0.031 0.000 1.168 66 P CA 1.126 64.236 63.100 0.017 0.000 0.779 66 P CB 0.261 31.969 31.700 0.013 0.000 0.844 67 E N -1.090 119.140 120.200 0.051 0.000 2.400 67 E HA 0.003 4.353 4.350 0.001 0.000 0.195 67 E C 1.655 178.300 176.600 0.076 0.000 1.012 67 E CA 0.326 56.764 56.400 0.062 0.000 0.875 67 E CB -0.918 28.826 29.700 0.073 0.000 0.859 67 E HN 0.040 nan 8.360 nan 0.000 0.498 68 V N 0.812 120.777 119.914 0.084 0.000 2.599 68 V HA -0.073 4.047 4.120 0.001 0.000 0.245 68 V C 1.949 178.082 176.094 0.066 0.000 1.046 68 V CA 0.946 63.308 62.300 0.103 0.000 1.065 68 V CB -0.344 31.571 31.823 0.154 0.000 0.703 68 V HN 0.230 nan 8.190 nan 0.000 0.464 69 L N -0.386 120.858 121.223 0.035 0.000 2.109 69 L HA -0.075 4.265 4.340 0.001 0.000 0.207 69 L C 2.621 179.483 176.870 -0.013 0.000 1.086 69 L CA 1.360 56.197 54.840 -0.005 0.000 0.760 69 L CB -0.709 41.341 42.059 -0.015 0.000 0.910 69 L HN 0.177 nan 8.230 nan 0.000 0.437 70 R N 0.174 120.681 120.500 0.011 0.000 2.139 70 R HA -0.212 4.129 4.340 0.001 0.000 0.243 70 R C 2.310 178.623 176.300 0.022 0.000 1.145 70 R CA 1.834 57.943 56.100 0.015 0.000 0.976 70 R CB -0.132 30.188 30.300 0.034 0.000 0.866 70 R HN 0.364 nan 8.270 nan 0.000 0.449 71 M N -0.543 119.084 119.600 0.045 0.000 2.466 71 M HA -0.040 4.441 4.480 0.001 0.000 0.265 71 M C 1.629 177.917 176.300 -0.020 0.000 1.122 71 M CA 0.737 56.092 55.300 0.092 0.000 1.157 71 M CB 0.224 32.934 32.600 0.184 0.000 1.352 71 M HN 0.198 nan 8.290 nan 0.000 0.464 72 L N 1.148 122.315 121.223 -0.095 0.000 2.141 72 L HA -0.082 4.258 4.340 0.001 0.000 0.209 72 L C 1.799 178.458 176.870 -0.352 0.000 1.094 72 L CA 1.880 56.552 54.840 -0.281 0.000 0.763 72 L CB -0.517 41.423 42.059 -0.199 0.000 0.908 72 L HN 0.328 nan 8.230 nan 0.000 0.437 73 E N -0.253 119.822 120.200 -0.208 0.000 2.017 73 E HA -0.275 4.075 4.350 0.001 0.000 0.193 73 E C 1.929 178.415 176.600 -0.190 0.000 0.997 73 E CA 1.491 57.782 56.400 -0.181 0.000 0.804 73 E CB -0.272 29.367 29.700 -0.101 0.000 0.757 73 E HN 0.712 nan 8.360 nan 0.000 0.448 74 E N 0.553 120.674 120.200 -0.132 0.000 2.267 74 E HA -0.167 4.183 4.350 0.001 0.000 0.197 74 E C 1.987 178.476 176.600 -0.185 0.000 0.998 74 E CA 1.263 57.615 56.400 -0.079 0.000 0.830 74 E CB -0.220 29.496 29.700 0.027 0.000 0.751 74 E HN 0.239 nan 8.360 nan 0.000 0.491 75 G N 1.304 109.789 108.800 -0.525 0.000 2.404 75 G HA2 -0.145 3.815 3.960 0.001 0.000 0.213 75 G HA3 -0.145 3.815 3.960 0.001 0.000 0.213 75 G C 1.485 176.150 174.900 -0.392 0.000 1.189 75 G CA 0.474 44.892 45.100 -1.137 0.000 0.796 75 G HN 0.130 nan 8.290 nan 0.000 0.532 76 L N 1.796 122.765 121.223 -0.423 0.000 2.043 76 L HA -0.116 4.224 4.340 0.001 0.000 0.212 76 L C 3.200 180.036 176.870 -0.057 0.000 1.075 76 L CA 2.380 57.028 54.840 -0.320 0.000 0.752 76 L CB -1.031 40.760 42.059 -0.447 0.000 0.891 76 L HN 0.419 nan 8.230 nan 0.000 0.432 77 T N -3.488 111.022 114.554 -0.072 0.000 2.985 77 T HA 0.108 4.459 4.350 0.001 0.000 0.266 77 T C 1.076 175.794 174.700 0.030 0.000 1.076 77 T CA 0.493 62.581 62.100 -0.019 0.000 1.135 77 T CB -0.635 68.215 68.868 -0.029 0.000 0.890 77 T HN 0.327 nan 8.240 nan 0.000 0.480 78 G N 1.693 110.528 108.800 0.058 0.000 2.338 78 G HA2 0.419 4.379 3.960 0.001 0.000 0.298 78 G HA3 0.419 4.379 3.960 0.001 0.000 0.298 78 G C 0.567 175.531 174.900 0.107 0.000 1.140 78 G CA -0.601 44.552 45.100 0.087 0.000 0.860 78 G HN 0.471 nan 8.290 nan 0.000 0.470 79 N N 1.998 120.745 118.700 0.079 0.000 2.142 79 N HA -0.018 4.723 4.740 0.001 0.000 0.186 79 N C 1.437 176.985 175.510 0.062 0.000 1.023 79 N CA 0.563 53.653 53.050 0.066 0.000 0.852 79 N CB -0.142 38.371 38.487 0.043 0.000 0.998 79 N HN 0.583 nan 8.380 nan 0.000 0.424 80 G N 0.985 109.827 108.800 0.070 0.000 2.391 80 G HA2 0.163 4.123 3.960 0.001 0.000 0.234 80 G HA3 0.163 4.123 3.960 0.001 0.000 0.234 80 G C -2.191 172.760 174.900 0.086 0.000 1.284 80 G CA -0.781 44.358 45.100 0.065 0.000 0.873 80 G HN 0.183 nan 8.290 nan 0.000 0.549 81 P HA -0.047 nan 4.420 nan 0.000 0.253 81 P C -0.479 176.887 177.300 0.111 0.000 1.159 81 P CA 0.246 63.368 63.100 0.037 0.000 0.779 81 P CB 0.173 31.859 31.700 -0.023 0.000 0.745 82 W N 4.790 126.069 121.300 -0.035 0.000 2.315 82 W HA 0.482 5.143 4.660 0.001 0.000 0.316 82 W C -0.616 175.935 176.519 0.053 0.000 1.211 82 W CA -0.062 57.300 57.345 0.029 0.000 1.201 82 W CB 0.978 30.486 29.460 0.080 0.000 1.184 82 W HN 0.236 nan 8.180 nan 0.000 0.544 83 S N 5.690 120.904 115.700 -0.809 0.000 2.668 83 S HA 0.442 4.913 4.470 0.001 0.000 0.277 83 S C -1.607 172.477 174.600 -0.860 0.000 1.170 83 S CA -0.776 56.894 58.200 -0.883 0.000 0.994 83 S CB 0.440 63.454 63.200 -0.310 0.000 1.051 83 S HN 0.703 nan 8.310 nan 0.000 0.484 84 N N 1.658 119.790 118.700 -0.947 0.000 2.431 84 N HA 0.487 5.228 4.740 0.001 0.000 0.275 84 N C -1.462 173.922 175.510 -0.211 0.000 1.091 84 N CA -0.440 52.371 53.050 -0.397 0.000 0.922 84 N CB 1.699 40.110 38.487 -0.127 0.000 1.666 84 N HN 0.612 nan 8.380 nan 0.000 0.484 85 S N 1.072 116.728 115.700 -0.073 0.000 2.532 85 S HA 0.819 5.289 4.470 0.001 0.000 0.301 85 S C -0.900 173.709 174.600 0.015 0.000 1.083 85 S CA -0.489 57.657 58.200 -0.090 0.000 1.025 85 S CB 2.008 65.166 63.200 -0.071 0.000 1.056 85 S HN 0.247 nan 8.310 nan 0.000 0.494 86 V N 1.450 121.367 119.914 0.005 0.000 3.012 86 V HA 0.512 4.633 4.120 0.001 0.000 0.307 86 V C -0.791 175.349 176.094 0.078 0.000 1.166 86 V CA -0.699 61.640 62.300 0.065 0.000 0.974 86 V CB 2.177 34.053 31.823 0.089 0.000 1.040 86 V HN 1.023 nan 8.190 nan 0.000 0.428 87 E N 0.949 121.209 120.200 0.101 0.000 2.202 87 E HA 0.782 5.132 4.350 0.001 0.000 0.272 87 E C -0.738 175.942 176.600 0.132 0.000 0.951 87 E CA -0.192 56.282 56.400 0.123 0.000 0.813 87 E CB 2.330 32.096 29.700 0.110 0.000 1.151 87 E HN 0.773 nan 8.360 nan 0.000 0.398 88 T N 0.832 115.485 114.554 0.166 0.000 2.654 88 T HA 0.289 4.639 4.350 0.001 0.000 0.303 88 T C -1.837 172.983 174.700 0.199 0.000 1.656 88 T CA -0.765 61.431 62.100 0.160 0.000 0.971 88 T CB 1.173 70.133 68.868 0.154 0.000 1.811 88 T HN 0.448 nan 8.240 nan 0.000 0.483 89 R N 1.160 121.764 120.500 0.174 0.000 2.460 89 R HA 0.808 5.148 4.340 0.001 0.000 0.303 89 R C -1.144 175.281 176.300 0.209 0.000 0.968 89 R CA -0.603 55.617 56.100 0.201 0.000 0.889 89 R CB 0.717 31.095 30.300 0.131 0.000 1.123 89 R HN 0.575 nan 8.270 nan 0.000 0.455 90 I N 5.278 126.022 120.570 0.290 0.000 2.468 90 I HA 0.361 4.532 4.170 0.001 0.000 0.284 90 I C 0.813 177.049 176.117 0.199 0.000 1.038 90 I CA -0.291 61.121 61.300 0.186 0.000 1.083 90 I CB 1.749 39.773 38.000 0.041 0.000 1.223 90 I HN 1.045 nan 8.210 nan 0.000 0.443 91 G N 5.028 113.895 108.800 0.112 0.000 2.596 91 G HA2 -0.390 3.570 3.960 0.001 0.000 0.304 91 G HA3 -0.390 3.570 3.960 0.001 0.000 0.304 91 G C 0.780 175.693 174.900 0.021 0.000 1.189 91 G CA 0.991 46.134 45.100 0.072 0.000 0.986 91 G HN 0.659 nan 8.290 nan 0.000 0.548 92 E N 0.327 120.492 120.200 -0.058 0.000 2.112 92 E HA 0.096 4.447 4.350 0.001 0.000 0.190 92 E C 1.216 177.528 176.600 -0.479 0.000 0.979 92 E CA 1.491 57.691 56.400 -0.334 0.000 0.814 92 E CB -0.002 29.368 29.700 -0.550 0.000 0.762 92 E HN 0.686 nan 8.360 nan 0.000 0.460 93 H N -0.528 118.615 119.070 0.122 0.000 2.855 93 H HA 0.285 4.842 4.556 0.001 0.000 0.363 93 H C -0.316 175.049 175.328 0.062 0.000 1.185 93 H CA -1.114 54.944 56.048 0.017 0.000 1.174 93 H CB 0.930 30.608 29.762 -0.140 0.000 1.857 93 H HN 0.019 nan 8.280 nan 0.000 0.565 94 L N -0.415 120.857 121.223 0.082 0.000 2.307 94 L HA 0.567 4.908 4.340 0.001 0.000 0.282 94 L C -1.133 175.721 176.870 -0.028 0.000 1.051 94 L CA -0.453 54.459 54.840 0.120 0.000 0.804 94 L CB -0.256 41.860 42.059 0.096 0.000 1.197 94 L HN 0.331 nan 8.230 nan 0.000 0.431 95 F N 0.665 120.709 119.950 0.157 0.000 2.556 95 F HA 0.474 5.001 4.527 0.001 0.000 0.327 95 F C 0.402 176.288 175.800 0.143 0.000 1.059 95 F CA -0.471 57.637 58.000 0.180 0.000 0.953 95 F CB 1.634 40.804 39.000 0.284 0.000 1.227 95 F HN 0.476 nan 8.300 nan 0.000 0.478 96 D N 1.929 122.507 120.400 0.297 0.000 2.428 96 D HA 0.224 4.864 4.640 0.001 0.000 0.221 96 D C -0.664 175.658 176.300 0.037 0.000 1.123 96 D CA 0.059 54.143 54.000 0.140 0.000 0.869 96 D CB 1.646 42.508 40.800 0.104 0.000 1.032 96 D HN 0.078 nan 8.370 nan 0.000 0.506 97 V N 5.392 125.302 119.914 -0.007 0.000 2.326 97 V HA 0.105 4.226 4.120 0.001 0.000 0.249 97 V C 0.745 176.678 176.094 -0.267 0.000 1.114 97 V CA -0.354 61.821 62.300 -0.208 0.000 1.028 97 V CB -0.487 31.286 31.823 -0.084 0.000 1.170 97 V HN 0.323 nan 8.190 nan 0.000 0.494 98 I N 2.140 122.480 120.570 -0.384 0.000 2.321 98 I HA 0.901 5.072 4.170 0.001 0.000 0.291 98 I C 0.404 176.386 176.117 -0.225 0.000 0.998 98 I CA -0.228 60.814 61.300 -0.430 0.000 1.227 98 I CB 1.437 38.997 38.000 -0.733 0.000 1.368 98 I HN 0.488 nan 8.210 nan 0.000 0.466 99 G N 4.747 113.462 108.800 -0.141 0.000 2.571 99 G HA2 0.714 4.674 3.960 0.001 0.000 0.304 99 G HA3 0.714 4.674 3.960 0.001 0.000 0.304 99 G C -1.329 173.485 174.900 -0.144 0.000 1.314 99 G CA -0.616 44.517 45.100 0.056 0.000 0.975 99 G HN 1.012 nan 8.290 nan 0.000 0.485 100 H N -1.680 117.437 119.070 0.078 0.000 2.942 100 H HA 0.823 5.379 4.556 0.001 0.000 0.316 100 H C -1.187 174.331 175.328 0.318 0.000 1.323 100 H CA -0.991 55.057 56.048 0.001 0.000 1.144 100 H CB 2.082 31.829 29.762 -0.025 0.000 1.866 100 H HN 0.530 nan 8.280 nan 0.000 0.545 101 S N 1.123 116.909 115.700 0.144 0.000 2.775 101 S HA 0.319 4.790 4.470 0.001 0.000 0.277 101 S C -2.122 172.527 174.600 0.081 0.000 1.156 101 S CA -0.581 57.560 58.200 -0.098 0.000 1.081 101 S CB -0.047 62.923 63.200 -0.383 0.000 1.054 101 S HN 0.552 nan 8.310 nan 0.000 0.482 102 Y N 4.404 124.747 120.300 0.072 0.000 2.468 102 Y HA 0.564 5.115 4.550 0.001 0.000 0.342 102 Y C 0.757 176.704 175.900 0.078 0.000 1.021 102 Y CA -0.497 57.628 58.100 0.042 0.000 1.079 102 Y CB 1.097 39.620 38.460 0.104 0.000 1.226 102 Y HN 0.929 nan 8.280 nan 0.000 0.460 103 K N 1.171 121.161 120.400 -0.682 0.000 1.804 103 K HA -0.339 3.981 4.320 0.001 0.000 0.138 103 K C -0.081 176.413 176.600 -0.176 0.000 0.925 103 K CA 2.259 58.283 56.287 -0.437 0.000 0.308 103 K CB -0.793 31.509 32.500 -0.329 0.000 0.710 103 K HN 0.847 nan 8.250 nan 0.000 0.806 104 E N 0.574 120.728 120.200 -0.076 0.000 2.989 104 E HA 0.261 4.612 4.350 0.001 0.000 0.207 104 E C -1.421 175.186 176.600 0.011 0.000 0.989 104 E CA -0.193 56.188 56.400 -0.031 0.000 1.186 104 E CB 0.933 30.629 29.700 -0.006 0.000 1.141 104 E HN 0.132 nan 8.360 nan 0.000 0.454 105 V N 0.655 120.552 119.914 -0.028 0.000 3.007 105 V HA 0.437 4.557 4.120 0.001 0.000 0.311 105 V C -0.892 175.026 176.094 -0.293 0.000 1.120 105 V CA -0.824 61.421 62.300 -0.091 0.000 0.980 105 V CB 1.881 33.590 31.823 -0.191 0.000 1.033 105 V HN 0.093 nan 8.190 nan 0.000 0.429 106 F N 2.327 122.066 119.950 -0.351 0.000 2.436 106 F HA 0.630 5.158 4.527 0.001 0.000 0.340 106 F C -0.508 175.022 175.800 -0.451 0.000 1.113 106 F CA -0.732 57.126 58.000 -0.237 0.000 1.022 106 F CB 1.214 40.135 39.000 -0.131 0.000 1.128 106 F HN 0.330 nan 8.300 nan 0.000 0.466 107 Y N 4.042 124.279 120.300 -0.106 0.000 2.388 107 Y HA 0.396 4.946 4.550 0.001 0.000 0.328 107 Y C -0.587 175.302 175.900 -0.018 0.000 0.963 107 Y CA -0.934 57.077 58.100 -0.148 0.000 1.240 107 Y CB 0.861 39.112 38.460 -0.348 0.000 1.118 107 Y HN 0.243 nan 8.280 nan 0.000 0.484 108 L N 4.540 125.835 121.223 0.120 0.000 2.260 108 L HA 0.336 4.676 4.340 0.001 0.000 0.289 108 L C -0.089 176.725 176.870 -0.093 0.000 1.057 108 L CA -0.165 54.670 54.840 -0.009 0.000 0.811 108 L CB 0.901 42.952 42.059 -0.013 0.000 1.184 108 L HN 0.692 nan 8.230 nan 0.000 0.429 109 E N 4.067 124.146 120.200 -0.203 0.000 2.158 109 E HA 0.404 4.754 4.350 0.001 0.000 0.271 109 E C -1.327 175.097 176.600 -0.295 0.000 0.911 109 E CA -0.449 55.874 56.400 -0.128 0.000 0.767 109 E CB 1.592 31.276 29.700 -0.027 0.000 1.120 109 E HN 0.228 nan 8.360 nan 0.000 0.405 110 F N 1.803 121.773 119.950 0.033 0.000 2.411 110 F HA 0.276 4.803 4.527 0.001 0.000 0.352 110 F C 0.430 176.362 175.800 0.221 0.000 1.123 110 F CA -0.590 57.476 58.000 0.110 0.000 1.044 110 F CB 1.423 40.402 39.000 -0.034 0.000 1.135 110 F HN 0.359 nan 8.300 nan 0.000 0.461 111 E N 4.813 125.261 120.200 0.413 0.000 2.220 111 E HA 0.321 4.671 4.350 0.001 0.000 0.256 111 E C -0.526 176.186 176.600 0.187 0.000 0.881 111 E CA -0.837 55.730 56.400 0.278 0.000 0.766 111 E CB 0.971 30.792 29.700 0.201 0.000 1.187 111 E HN 0.518 nan 8.360 nan 0.000 0.419 112 I N 2.089 122.644 120.570 -0.025 0.000 2.752 112 I HA 0.083 4.254 4.170 0.001 0.000 0.286 112 I C 0.135 176.158 176.117 -0.157 0.000 1.180 112 I CA 0.330 61.392 61.300 -0.397 0.000 1.404 112 I CB -0.343 37.392 38.000 -0.441 0.000 1.389 112 I HN 0.543 nan 8.210 nan 0.000 0.549 113 R N 5.371 125.789 120.500 -0.135 0.000 2.357 113 R HA 0.413 4.753 4.340 0.001 0.000 0.296 113 R C -0.050 176.223 176.300 -0.045 0.000 1.052 113 R CA -0.274 55.808 56.100 -0.031 0.000 0.988 113 R CB 0.965 31.279 30.300 0.023 0.000 1.025 113 R HN 0.827 nan 8.270 nan 0.000 0.469 114 T N 2.217 116.757 114.554 -0.023 0.000 2.833 114 T HA 0.378 4.728 4.350 0.001 0.000 0.292 114 T C 0.671 175.366 174.700 -0.007 0.000 1.031 114 T CA -0.250 61.835 62.100 -0.025 0.000 0.937 114 T CB 1.120 69.971 68.868 -0.029 0.000 1.256 114 T HN 0.683 nan 8.240 nan 0.000 0.551 115 A N 0.133 122.949 122.820 -0.007 0.000 2.545 115 A HA 0.357 4.678 4.320 0.001 0.000 0.277 115 A C -0.387 177.197 177.584 0.001 0.000 1.301 115 A CA -0.440 51.598 52.037 0.001 0.000 0.935 115 A CB -0.523 18.478 19.000 0.002 0.000 1.093 115 A HN 0.685 nan 8.150 nan 0.000 0.519 116 D N 1.842 122.241 120.400 -0.002 0.000 2.500 116 D HA 0.302 4.943 4.640 0.001 0.000 0.219 116 D C -0.222 176.078 176.300 -0.000 0.000 1.137 116 D CA 0.221 54.219 54.000 -0.003 0.000 0.946 116 D CB 0.552 41.346 40.800 -0.010 0.000 1.022 116 D HN 0.222 nan 8.370 nan 0.000 0.518 117 T N 0.432 114.985 114.554 -0.000 0.000 2.753 117 T HA 0.354 4.704 4.350 0.001 0.000 0.297 117 T C 0.190 174.885 174.700 -0.008 0.000 0.981 117 T CA -1.027 61.069 62.100 -0.006 0.000 0.956 117 T CB 1.000 69.867 68.868 -0.000 0.000 0.936 117 T HN 0.024 nan 8.240 nan 0.000 0.463 118 L N 2.640 123.852 121.223 -0.017 0.000 2.350 118 L HA 0.434 4.774 4.340 0.001 0.000 0.275 118 L C 1.058 177.918 176.870 -0.015 0.000 1.099 118 L CA -0.162 54.670 54.840 -0.013 0.000 0.808 118 L CB 1.408 43.461 42.059 -0.011 0.000 1.149 118 L HN 0.773 nan 8.230 nan 0.000 0.442 119 S N 1.637 117.340 115.700 0.005 0.000 2.579 119 S HA 0.204 4.675 4.470 0.001 0.000 0.275 119 S C 1.550 176.171 174.600 0.034 0.000 1.345 119 S CA -0.430 57.778 58.200 0.013 0.000 1.031 119 S CB 0.454 63.662 63.200 0.015 0.000 0.892 119 S HN 0.472 nan 8.310 nan 0.000 0.529 120 I N 2.960 123.551 120.570 0.034 0.000 2.226 120 I HA -0.153 4.017 4.170 0.001 0.000 0.245 120 I C 2.175 178.324 176.117 0.055 0.000 1.100 120 I CA 1.285 62.623 61.300 0.063 0.000 1.374 120 I CB -0.380 37.644 38.000 0.039 0.000 1.057 120 I HN 0.663 nan 8.210 nan 0.000 0.413 121 T N -1.087 113.481 114.554 0.024 0.000 3.035 121 T HA -0.106 4.245 4.350 0.001 0.000 0.268 121 T C 1.941 176.641 174.700 0.000 0.000 1.109 121 T CA 1.229 63.330 62.100 0.002 0.000 1.119 121 T CB -0.020 68.847 68.868 -0.002 0.000 0.900 121 T HN 0.249 nan 8.240 nan 0.000 0.503 122 S N 0.359 116.074 115.700 0.026 0.000 2.439 122 S HA 0.100 4.571 4.470 0.001 0.000 0.224 122 S C 1.277 175.914 174.600 0.061 0.000 1.029 122 S CA -0.078 58.140 58.200 0.030 0.000 0.946 122 S CB -0.278 62.943 63.200 0.035 0.000 0.797 122 S HN 0.500 nan 8.310 nan 0.000 0.504 123 F N 1.752 121.652 119.950 -0.083 0.000 2.765 123 F HA 0.348 4.876 4.527 0.001 0.000 0.302 123 F C 1.641 177.385 175.800 -0.094 0.000 1.111 123 F CA 0.594 58.526 58.000 -0.113 0.000 1.359 123 F CB -0.037 38.861 39.000 -0.170 0.000 1.097 123 F HN 0.103 nan 8.300 nan 0.000 0.577 124 T N -0.040 114.381 114.554 -0.221 0.000 3.014 124 T HA 0.099 4.450 4.350 0.001 0.000 0.250 124 T C 1.568 176.147 174.700 -0.201 0.000 1.060 124 T CA 0.378 62.316 62.100 -0.270 0.000 1.040 124 T CB 0.188 68.973 68.868 -0.140 0.000 0.971 124 T HN 0.055 nan 8.240 nan 0.000 0.497 125 L N 1.380 122.521 121.223 -0.138 0.000 2.307 125 L HA 0.311 4.651 4.340 0.001 0.000 0.211 125 L C 1.906 178.710 176.870 -0.110 0.000 1.099 125 L CA 1.259 56.039 54.840 -0.100 0.000 0.816 125 L CB -0.624 41.399 42.059 -0.059 0.000 0.952 125 L HN 0.244 nan 8.230 nan 0.000 0.455 126 N N -0.724 117.901 118.700 -0.126 0.000 2.409 126 N HA -0.039 4.702 4.740 0.001 0.000 0.179 126 N C 1.687 177.089 175.510 -0.180 0.000 1.032 126 N CA 0.711 53.690 53.050 -0.118 0.000 0.898 126 N CB 0.228 38.679 38.487 -0.061 0.000 0.971 126 N HN 0.295 nan 8.380 nan 0.000 0.441 127 A N 0.829 123.480 122.820 -0.282 0.000 2.021 127 A HA -0.095 4.225 4.320 0.001 0.000 0.216 127 A C 1.994 179.479 177.584 -0.165 0.000 1.163 127 A CA 0.613 52.485 52.037 -0.274 0.000 0.676 127 A CB -0.213 18.521 19.000 -0.443 0.000 0.818 127 A HN 0.232 nan 8.150 nan 0.000 0.453 128 Q N -0.027 119.682 119.800 -0.152 0.000 2.297 128 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 128 Q C 1.911 177.864 176.000 -0.080 0.000 0.962 128 Q CA 1.505 57.246 55.803 -0.104 0.000 0.879 128 Q CB 0.003 28.685 28.738 -0.093 0.000 0.947 128 Q HN 0.769 nan 8.270 nan 0.000 0.462 129 R N -0.076 120.375 120.500 -0.081 0.000 2.487 129 R HA 0.145 4.485 4.340 0.001 0.000 0.272 129 R C 1.767 178.031 176.300 -0.062 0.000 0.928 129 R CA 0.353 56.414 56.100 -0.065 0.000 1.077 129 R CB -0.247 30.019 30.300 -0.056 0.000 1.265 129 R HN 0.360 nan 8.270 nan 0.000 0.537 130 I N -1.953 118.578 120.570 -0.066 0.000 3.059 130 I HA 0.130 4.300 4.170 0.001 0.000 0.270 130 I C 1.434 177.537 176.117 -0.022 0.000 1.238 130 I CA 0.544 61.816 61.300 -0.047 0.000 1.478 130 I CB 0.012 37.972 38.000 -0.065 0.000 1.097 130 I HN 0.058 nan 8.210 nan 0.000 0.455 131 I N 1.885 122.436 120.570 -0.032 0.000 2.400 131 I HA -0.050 4.121 4.170 0.001 0.000 0.248 131 I C 2.767 178.860 176.117 -0.040 0.000 1.109 131 I CA 1.158 62.445 61.300 -0.022 0.000 1.425 131 I CB -0.121 37.862 38.000 -0.028 0.000 1.094 131 I HN 0.274 nan 8.210 nan 0.000 0.425 132 A N -0.204 122.583 122.820 -0.054 0.000 2.167 132 A HA -0.145 4.175 4.320 0.001 0.000 0.214 132 A C 2.193 179.718 177.584 -0.098 0.000 1.151 132 A CA 0.671 52.668 52.037 -0.067 0.000 0.735 132 A CB -0.344 18.620 19.000 -0.060 0.000 0.802 132 A HN 0.414 nan 8.150 nan 0.000 0.467 133 Q N -0.024 119.720 119.800 -0.094 0.000 2.083 133 Q HA -0.072 4.269 4.340 0.001 0.000 0.198 133 Q C 1.806 177.695 176.000 -0.186 0.000 0.969 133 Q CA 1.990 57.710 55.803 -0.138 0.000 0.838 133 Q CB -0.348 28.349 28.738 -0.068 0.000 0.900 133 Q HN 0.403 nan 8.270 nan 0.000 0.436 134 V N 1.076 120.938 119.914 -0.087 0.000 3.306 134 V HA -0.072 4.049 4.120 0.001 0.000 0.264 134 V C 1.811 177.869 176.094 -0.060 0.000 1.149 134 V CA 0.884 63.156 62.300 -0.046 0.000 1.143 134 V CB 0.039 31.870 31.823 0.013 0.000 0.767 134 V HN 0.295 nan 8.190 nan 0.000 0.476 135 Q N -0.646 119.104 119.800 -0.083 0.000 2.331 135 Q HA 0.063 4.403 4.340 0.001 0.000 0.203 135 Q C 2.083 178.030 176.000 -0.088 0.000 0.944 135 Q CA 0.929 56.692 55.803 -0.066 0.000 0.892 135 Q CB 0.111 28.815 28.738 -0.057 0.000 0.983 135 Q HN 0.465 nan 8.270 nan 0.000 0.482 136 L N -0.167 120.944 121.223 -0.187 0.000 2.049 136 L HA -0.074 4.266 4.340 0.001 0.000 0.203 136 L C 0.319 177.117 176.870 -0.120 0.000 1.074 136 L CA 1.325 56.027 54.840 -0.229 0.000 0.749 136 L CB -0.584 41.203 42.059 -0.454 0.000 0.907 136 L HN 0.305 nan 8.230 nan 0.000 0.439 137 H N -0.311 118.766 119.070 0.011 0.000 2.691 137 H HA 0.227 4.784 4.556 0.001 0.000 0.281 137 H C -0.184 175.155 175.328 0.018 0.000 1.121 137 H CA -0.366 55.691 56.048 0.014 0.000 1.254 137 H CB -0.325 29.448 29.762 0.017 0.000 1.390 137 H HN 0.143 nan 8.280 nan 0.000 0.491 138 N N 4.603 123.362 118.700 0.099 0.000 2.744 138 N HA -0.012 4.729 4.740 0.001 0.000 0.290 138 N C -0.896 174.655 175.510 0.069 0.000 1.206 138 N CA 0.233 53.319 53.050 0.060 0.000 1.119 138 N CB 0.251 38.759 38.487 0.035 0.000 1.449 138 N HN 0.593 nan 8.380 nan 0.000 0.514 139 D N -0.501 119.951 120.400 0.085 0.000 2.886 139 D HA -0.006 4.635 4.640 0.001 0.000 0.216 139 D C 1.027 177.385 176.300 0.098 0.000 1.256 139 D CA -0.384 53.665 54.000 0.082 0.000 0.844 139 D CB 1.848 42.693 40.800 0.075 0.000 1.669 139 D HN 0.155 nan 8.370 nan 0.000 0.513 140 T N 0.526 115.143 114.554 0.107 0.000 2.759 140 T HA -0.171 4.179 4.350 0.001 0.000 0.269 140 T C 1.720 176.514 174.700 0.158 0.000 1.042 140 T CA 2.190 64.381 62.100 0.151 0.000 1.140 140 T CB 0.020 69.017 68.868 0.215 0.000 0.864 140 T HN 0.422 nan 8.240 nan 0.000 0.455 141 A N 0.642 123.532 122.820 0.117 0.000 2.019 141 A HA -0.006 4.315 4.320 0.001 0.000 0.219 141 A C 2.701 180.346 177.584 0.102 0.000 1.164 141 A CA 2.100 54.192 52.037 0.091 0.000 0.644 141 A CB -0.899 18.134 19.000 0.056 0.000 0.805 141 A HN 0.618 nan 8.150 nan 0.000 0.449 142 S N 0.153 115.920 115.700 0.112 0.000 2.356 142 S HA -0.147 4.324 4.470 0.001 0.000 0.223 142 S C 1.808 176.484 174.600 0.126 0.000 1.032 142 S CA 1.713 59.986 58.200 0.121 0.000 1.005 142 S CB -0.533 62.761 63.200 0.157 0.000 0.867 142 S HN 0.703 nan 8.310 nan 0.000 0.449 143 L N 0.563 121.873 121.223 0.145 0.000 2.179 143 L HA 0.208 4.548 4.340 0.001 0.000 0.208 143 L C 1.943 178.945 176.870 0.220 0.000 1.096 143 L CA 1.160 56.097 54.840 0.162 0.000 0.779 143 L CB -1.236 40.929 42.059 0.177 0.000 0.922 143 L HN 0.141 nan 8.230 nan 0.000 0.443 144 L N 0.174 121.553 121.223 0.261 0.000 1.955 144 L HA -0.195 4.145 4.340 0.001 0.000 0.213 144 L C 2.732 179.740 176.870 0.229 0.000 1.072 144 L CA 1.797 56.848 54.840 0.351 0.000 0.755 144 L CB -0.925 41.284 42.059 0.250 0.000 0.888 144 L HN 0.341 nan 8.230 nan 0.000 0.432 145 S N -0.158 115.621 115.700 0.131 0.000 2.387 145 S HA -0.231 4.239 4.470 0.001 0.000 0.230 145 S C 1.698 176.323 174.600 0.042 0.000 1.035 145 S CA 1.846 60.088 58.200 0.070 0.000 1.014 145 S CB -0.552 62.679 63.200 0.051 0.000 0.836 145 S HN 0.402 nan 8.310 nan 0.000 0.466 146 N N 0.775 119.507 118.700 0.053 0.000 2.142 146 N HA -0.023 4.717 4.740 0.001 0.000 0.186 146 N C 1.553 177.031 175.510 -0.053 0.000 1.023 146 N CA 0.917 53.976 53.050 0.014 0.000 0.852 146 N CB -0.280 38.228 38.487 0.035 0.000 0.998 146 N HN 0.213 nan 8.380 nan 0.000 0.424 147 V N -0.336 119.525 119.914 -0.088 0.000 3.129 147 V HA -0.041 4.079 4.120 0.001 0.000 0.259 147 V C 1.581 177.475 176.094 -0.333 0.000 1.116 147 V CA 1.381 63.501 62.300 -0.300 0.000 1.127 147 V CB -0.605 30.898 31.823 -0.534 0.000 0.742 147 V HN 0.351 nan 8.190 nan 0.000 0.474 148 T N 0.550 114.993 114.554 -0.185 0.000 2.643 148 T HA -0.181 4.170 4.350 0.001 0.000 0.264 148 T C 1.519 176.152 174.700 -0.112 0.000 1.045 148 T CA 2.002 64.018 62.100 -0.139 0.000 1.155 148 T CB -0.423 68.435 68.868 -0.016 0.000 0.863 148 T HN 0.535 nan 8.240 nan 0.000 0.420 149 D N 0.640 120.997 120.400 -0.071 0.000 2.172 149 D HA -0.122 4.519 4.640 0.001 0.000 0.196 149 D C 2.158 178.420 176.300 -0.064 0.000 0.999 149 D CA 1.177 55.147 54.000 -0.050 0.000 0.856 149 D CB -0.327 40.453 40.800 -0.032 0.000 0.934 149 D HN 0.408 nan 8.370 nan 0.000 0.453 150 E N 0.350 120.488 120.200 -0.104 0.000 2.072 150 E HA -0.054 4.296 4.350 0.001 0.000 0.190 150 E C 2.041 178.588 176.600 -0.088 0.000 0.982 150 E CA 0.607 56.945 56.400 -0.103 0.000 0.803 150 E CB -0.375 29.232 29.700 -0.154 0.000 0.755 150 E HN 0.260 nan 8.360 nan 0.000 0.453 151 L N 0.312 121.445 121.223 -0.151 0.000 2.093 151 L HA -0.040 4.301 4.340 0.001 0.000 0.208 151 L C 2.810 179.650 176.870 -0.051 0.000 1.085 151 L CA 1.412 56.180 54.840 -0.121 0.000 0.755 151 L CB -0.448 41.460 42.059 -0.251 0.000 0.904 151 L HN 0.123 nan 8.230 nan 0.000 0.435 152 R N 0.232 120.708 120.500 -0.040 0.000 2.105 152 R HA -0.188 4.153 4.340 0.001 0.000 0.239 152 R C 2.407 178.729 176.300 0.036 0.000 1.135 152 R CA 1.471 57.584 56.100 0.022 0.000 0.967 152 R CB -0.054 30.252 30.300 0.010 0.000 0.861 152 R HN 0.276 nan 8.270 nan 0.000 0.442 153 R N -0.276 120.233 120.500 0.015 0.000 2.057 153 R HA 0.014 4.354 4.340 0.001 0.000 0.229 153 R C 2.435 178.760 176.300 0.041 0.000 1.136 153 R CA 1.794 57.907 56.100 0.022 0.000 0.952 153 R CB -0.168 30.137 30.300 0.009 0.000 0.848 153 R HN 0.251 nan 8.270 nan 0.000 0.430 154 M N -0.087 119.550 119.600 0.062 0.000 2.279 154 M HA -0.137 4.343 4.480 0.001 0.000 0.264 154 M C 1.961 178.327 176.300 0.111 0.000 1.062 154 M CA 1.943 57.307 55.300 0.106 0.000 1.099 154 M CB -0.148 32.571 32.600 0.198 0.000 1.394 154 M HN 0.363 nan 8.290 nan 0.000 0.426 155 T N -4.813 109.796 114.554 0.090 0.000 3.026 155 T HA 0.306 4.656 4.350 0.001 0.000 0.245 155 T C 1.336 176.064 174.700 0.047 0.000 1.004 155 T CA 0.711 62.869 62.100 0.097 0.000 1.069 155 T CB 0.335 69.314 68.868 0.184 0.000 1.005 155 T HN 0.471 nan 8.240 nan 0.000 0.472 156 G N 1.110 109.958 108.800 0.080 0.000 2.212 156 G HA2 -0.215 3.746 3.960 0.001 0.000 0.255 156 G HA3 -0.215 3.746 3.960 0.001 0.000 0.255 156 G C -0.272 174.684 174.900 0.094 0.000 1.062 156 G CA -0.109 45.023 45.100 0.054 0.000 0.815 156 G HN 0.641 nan 8.290 nan 0.000 0.497 157 Y N 0.343 120.707 120.300 0.106 0.000 2.336 157 Y HA 0.289 4.839 4.550 0.001 0.000 0.331 157 Y C 1.713 177.672 175.900 0.099 0.000 1.211 157 Y CA 0.119 58.362 58.100 0.239 0.000 1.346 157 Y CB 0.751 39.280 38.460 0.115 0.000 1.271 157 Y HN 0.147 nan 8.280 nan 0.000 0.538 158 D N 1.031 121.486 120.400 0.091 0.000 2.263 158 D HA -0.098 4.543 4.640 0.001 0.000 0.208 158 D C 0.580 176.902 176.300 0.037 0.000 0.971 158 D CA 1.338 55.294 54.000 -0.075 0.000 0.867 158 D CB 0.251 40.891 40.800 -0.266 0.000 0.929 158 D HN 0.400 nan 8.370 nan 0.000 0.492 159 R N -0.448 120.129 120.500 0.129 0.000 2.629 159 R HA 0.410 4.751 4.340 0.001 0.000 0.266 159 R C -2.235 174.103 176.300 0.063 0.000 1.051 159 R CA -0.589 55.556 56.100 0.075 0.000 0.895 159 R CB 2.019 32.349 30.300 0.049 0.000 1.246 159 R HN -0.111 nan 8.270 nan 0.000 0.459 160 V N 5.363 125.268 119.914 -0.014 0.000 2.525 160 V HA 0.569 4.690 4.120 0.001 0.000 0.299 160 V C -1.040 174.988 176.094 -0.110 0.000 1.034 160 V CA -0.565 61.692 62.300 -0.072 0.000 0.863 160 V CB 1.870 33.648 31.823 -0.075 0.000 0.999 160 V HN 0.852 nan 8.190 nan 0.000 0.423 161 M N 5.296 124.771 119.600 -0.208 0.000 2.705 161 M HA 0.882 5.363 4.480 0.001 0.000 0.311 161 M C -0.309 175.745 176.300 -0.409 0.000 1.214 161 M CA -0.627 54.472 55.300 -0.335 0.000 0.920 161 M CB 2.336 34.629 32.600 -0.511 0.000 1.687 161 M HN 0.786 nan 8.290 nan 0.000 0.481 162 A N 1.861 124.403 122.820 -0.463 0.000 2.457 162 A HA 0.687 5.007 4.320 0.001 0.000 0.283 162 A C -1.815 175.408 177.584 -0.602 0.000 1.166 162 A CA -0.550 51.179 52.037 -0.513 0.000 0.740 162 A CB 0.307 19.235 19.000 -0.121 0.000 1.181 162 A HN 0.755 nan 8.150 nan 0.000 0.446 163 Y N 1.131 121.182 120.300 -0.416 0.000 2.352 163 Y HA 0.670 5.221 4.550 0.001 0.000 0.326 163 Y C 1.000 176.426 175.900 -0.789 0.000 1.166 163 Y CA -0.786 56.980 58.100 -0.557 0.000 1.182 163 Y CB 1.169 39.272 38.460 -0.595 0.000 1.216 163 Y HN 0.638 nan 8.280 nan 0.000 0.474 164 R N 0.951 121.034 120.500 -0.695 0.000 2.705 164 R HA 0.623 4.964 4.340 0.001 0.000 0.246 164 R C -1.640 174.046 176.300 -1.023 0.000 1.142 164 R CA -0.979 54.571 56.100 -0.918 0.000 1.114 164 R CB 0.939 30.754 30.300 -0.808 0.000 1.256 164 R HN 0.593 nan 8.270 nan 0.000 0.536 165 F N 0.711 120.364 119.950 -0.496 0.000 2.562 165 F HA 0.384 4.911 4.527 0.001 0.000 0.319 165 F C 0.494 176.174 175.800 -0.201 0.000 1.154 165 F CA -1.101 56.717 58.000 -0.303 0.000 0.931 165 F CB 1.350 40.219 39.000 -0.219 0.000 1.198 165 F HN 0.132 nan 8.300 nan 0.000 0.444 166 R N 0.436 120.955 120.500 0.032 0.000 2.954 166 R HA 0.021 4.362 4.340 0.001 0.000 0.276 166 R C 1.332 177.709 176.300 0.129 0.000 1.218 166 R CA -0.141 56.000 56.100 0.068 0.000 1.149 166 R CB -0.098 30.241 30.300 0.065 0.000 1.112 166 R HN 0.762 nan 8.270 nan 0.000 0.577 167 H N 1.196 120.296 119.070 0.050 0.000 2.352 167 H HA -0.122 4.434 4.556 0.001 0.000 0.299 167 H C 0.979 176.328 175.328 0.036 0.000 1.097 167 H CA 2.387 58.465 56.048 0.050 0.000 1.311 167 H CB -0.063 29.727 29.762 0.047 0.000 1.377 167 H HN 0.589 nan 8.280 nan 0.000 0.504 168 D N -0.988 119.409 120.400 -0.005 0.000 2.336 168 D HA -0.058 4.583 4.640 0.001 0.000 0.229 168 D C -0.043 176.226 176.300 -0.052 0.000 1.061 168 D CA 0.800 54.755 54.000 -0.075 0.000 0.875 168 D CB -0.144 40.644 40.800 -0.019 0.000 0.904 168 D HN 0.378 nan 8.370 nan 0.000 0.525 169 D N -0.086 120.302 120.400 -0.021 0.000 3.077 169 D HA -0.174 4.466 4.640 0.001 0.000 0.212 169 D C 0.160 176.526 176.300 0.109 0.000 1.125 169 D CA 1.042 55.038 54.000 -0.007 0.000 0.970 169 D CB -1.750 38.977 40.800 -0.121 0.000 1.110 169 D HN 0.518 nan 8.370 nan 0.000 0.419 170 S N -0.686 115.061 115.700 0.079 0.000 2.596 170 S HA 0.520 4.991 4.470 0.001 0.000 0.260 170 S C 0.781 175.240 174.600 -0.235 0.000 1.336 170 S CA 0.333 58.526 58.200 -0.012 0.000 0.993 170 S CB 1.891 65.162 63.200 0.120 0.000 0.923 170 S HN 0.371 nan 8.310 nan 0.000 0.567 171 G N -0.468 107.829 108.800 -0.838 0.000 2.453 171 G HA2 0.572 4.532 3.960 0.001 0.000 0.323 171 G HA3 0.572 4.532 3.960 0.001 0.000 0.323 171 G C -1.405 172.856 174.900 -1.064 0.000 1.198 171 G CA -0.639 43.608 45.100 -1.423 0.000 0.959 171 G HN 0.794 nan 8.290 nan 0.000 0.482 172 E N 1.181 120.954 120.200 -0.712 0.000 2.287 172 E HA 0.306 4.657 4.350 0.001 0.000 0.274 172 E C -0.869 175.630 176.600 -0.168 0.000 0.896 172 E CA -0.562 55.604 56.400 -0.390 0.000 0.788 172 E CB 2.254 31.755 29.700 -0.333 0.000 1.244 172 E HN 0.305 nan 8.360 nan 0.000 0.408 173 V N 4.697 124.618 119.914 0.011 0.000 2.450 173 V HA 0.014 4.134 4.120 0.001 0.000 0.281 173 V C 1.320 177.376 176.094 -0.064 0.000 1.019 173 V CA 0.206 62.545 62.300 0.065 0.000 1.062 173 V CB 0.414 32.291 31.823 0.090 0.000 0.979 173 V HN 0.625 nan 8.190 nan 0.000 0.477 174 V N 1.277 121.121 119.914 -0.116 0.000 3.635 174 V HA 0.751 4.871 4.120 0.001 0.000 0.266 174 V C 0.678 176.734 176.094 -0.064 0.000 1.316 174 V CA 0.606 62.847 62.300 -0.098 0.000 1.060 174 V CB 0.208 31.953 31.823 -0.128 0.000 0.820 174 V HN 0.973 nan 8.190 nan 0.000 0.447 175 A N 0.314 123.086 122.820 -0.079 0.000 2.459 175 A HA 0.792 5.112 4.320 0.001 0.000 0.296 175 A C -0.915 176.631 177.584 -0.063 0.000 1.039 175 A CA -0.317 51.697 52.037 -0.038 0.000 0.698 175 A CB 1.682 20.696 19.000 0.022 0.000 1.261 175 A HN 0.411 nan 8.150 nan 0.000 0.405 176 E N 1.346 121.516 120.200 -0.049 0.000 2.290 176 E HA 0.548 4.898 4.350 0.001 0.000 0.274 176 E C -1.072 175.503 176.600 -0.041 0.000 0.889 176 E CA -0.343 56.020 56.400 -0.063 0.000 0.760 176 E CB 1.720 31.371 29.700 -0.082 0.000 1.206 176 E HN 0.812 nan 8.360 nan 0.000 0.419 177 S N 4.754 120.431 115.700 -0.038 0.000 2.594 177 S HA 0.536 5.007 4.470 0.001 0.000 0.322 177 S C -0.290 174.296 174.600 -0.022 0.000 1.085 177 S CA -0.953 57.232 58.200 -0.025 0.000 1.116 177 S CB 0.641 63.830 63.200 -0.019 0.000 0.979 177 S HN 0.588 nan 8.310 nan 0.000 0.465 178 R N 2.601 123.085 120.500 -0.027 0.000 2.758 178 R HA 0.624 4.964 4.340 0.001 0.000 0.265 178 R C -0.567 175.721 176.300 -0.020 0.000 1.016 178 R CA -1.131 54.953 56.100 -0.028 0.000 1.040 178 R CB 1.118 31.385 30.300 -0.055 0.000 1.152 178 R HN 0.536 nan 8.270 nan 0.000 0.503 179 R N 0.902 121.389 120.500 -0.023 0.000 2.459 179 R HA 0.061 4.402 4.340 0.001 0.000 0.281 179 R C 0.429 176.715 176.300 -0.024 0.000 1.050 179 R CA -0.388 55.699 56.100 -0.022 0.000 1.055 179 R CB 0.920 31.202 30.300 -0.031 0.000 1.045 179 R HN 0.774 nan 8.270 nan 0.000 0.495 180 E N 1.110 121.300 120.200 -0.016 0.000 2.331 180 E HA -0.210 4.140 4.350 0.001 0.000 0.199 180 E C 0.574 177.165 176.600 -0.015 0.000 1.008 180 E CA 1.291 57.684 56.400 -0.011 0.000 0.843 180 E CB -0.009 29.687 29.700 -0.006 0.000 0.761 180 E HN 0.574 nan 8.360 nan 0.000 0.507 181 D N 0.176 120.563 120.400 -0.021 0.000 2.355 181 D HA -0.037 4.604 4.640 0.001 0.000 0.218 181 D C 0.371 176.653 176.300 -0.029 0.000 1.004 181 D CA 0.330 54.317 54.000 -0.022 0.000 0.880 181 D CB 0.003 40.788 40.800 -0.025 0.000 0.911 181 D HN 0.141 nan 8.370 nan 0.000 0.528 182 L N 0.969 122.168 121.223 -0.040 0.000 2.334 182 L HA 0.314 4.655 4.340 0.001 0.000 0.273 182 L C 0.480 177.292 176.870 -0.097 0.000 1.013 182 L CA -1.251 53.550 54.840 -0.065 0.000 0.816 182 L CB 2.030 44.050 42.059 -0.066 0.000 1.278 182 L HN -0.036 nan 8.230 nan 0.000 0.431 183 E N 0.757 120.864 120.200 -0.155 0.000 2.373 183 E HA 0.266 4.617 4.350 0.001 0.000 0.263 183 E C -0.636 175.706 176.600 -0.430 0.000 1.073 183 E CA -0.610 55.671 56.400 -0.198 0.000 0.894 183 E CB 1.546 31.141 29.700 -0.174 0.000 1.008 183 E HN 0.383 nan 8.360 nan 0.000 0.420 184 S N 1.024 116.462 115.700 -0.437 0.000 2.586 184 S HA 0.203 4.674 4.470 0.001 0.000 0.274 184 S C -0.573 173.405 174.600 -1.036 0.000 1.281 184 S CA -0.506 57.271 58.200 -0.705 0.000 1.035 184 S CB 0.308 63.054 63.200 -0.756 0.000 0.962 184 S HN 0.568 nan 8.310 nan 0.000 0.512 185 Y N 2.235 122.201 120.300 -0.555 0.000 2.430 185 Y HA 0.357 4.907 4.550 0.001 0.000 0.248 185 Y C 0.692 176.363 175.900 -0.383 0.000 1.108 185 Y CA -0.563 57.285 58.100 -0.421 0.000 1.264 185 Y CB 0.016 38.344 38.460 -0.221 0.000 1.172 185 Y HN 0.593 nan 8.280 nan 0.000 0.520 186 L N 0.501 121.535 121.223 -0.315 0.000 2.640 186 L HA 0.208 4.549 4.340 0.001 0.000 0.280 186 L C 1.289 178.099 176.870 -0.101 0.000 1.229 186 L CA 1.583 56.312 54.840 -0.185 0.000 0.919 186 L CB 0.225 42.180 42.059 -0.173 0.000 1.168 186 L HN 0.581 nan 8.230 nan 0.000 0.496 187 G N 2.262 111.053 108.800 -0.015 0.000 2.253 187 G HA2 -0.305 3.655 3.960 0.001 0.000 0.251 187 G HA3 -0.305 3.655 3.960 0.001 0.000 0.251 187 G C 0.336 175.313 174.900 0.128 0.000 0.998 187 G CA 0.306 45.430 45.100 0.041 0.000 0.621 187 G HN 0.785 nan 8.290 nan 0.000 0.524 188 Q N 1.809 121.688 119.800 0.131 0.000 2.286 188 Q HA 0.275 4.615 4.340 0.001 0.000 0.265 188 Q C 0.492 176.520 176.000 0.047 0.000 1.080 188 Q CA 0.017 55.951 55.803 0.219 0.000 0.906 188 Q CB 0.158 29.023 28.738 0.212 0.000 1.227 188 Q HN 0.584 nan 8.270 nan 0.000 0.409 189 R N 3.621 123.990 120.500 -0.218 0.000 2.500 189 R HA 0.354 4.695 4.340 0.001 0.000 0.275 189 R C -0.757 175.215 176.300 -0.546 0.000 1.051 189 R CA -0.396 55.283 56.100 -0.702 0.000 1.088 189 R CB 0.822 30.215 30.300 -1.511 0.000 1.063 189 R HN 0.542 nan 8.270 nan 0.000 0.511 190 Y N -1.422 118.583 120.300 -0.491 0.000 2.534 190 Y HA 0.516 5.067 4.550 0.001 0.000 0.345 190 Y C -2.913 172.957 175.900 -0.049 0.000 1.031 190 Y CA -3.770 54.209 58.100 -0.202 0.000 1.022 190 Y CB 0.866 39.239 38.460 -0.143 0.000 1.292 190 Y HN 0.408 nan 8.280 nan 0.000 0.459 191 P HA 0.091 nan 4.420 nan 0.000 0.269 191 P C 0.372 177.773 177.300 0.168 0.000 1.217 191 P CA 0.611 63.851 63.100 0.234 0.000 0.783 191 P CB 0.927 32.743 31.700 0.193 0.000 0.898 192 A N 1.398 124.282 122.820 0.106 0.000 2.070 192 A HA -0.152 4.169 4.320 0.001 0.000 0.220 192 A C 2.349 179.976 177.584 0.072 0.000 1.159 192 A CA 1.839 53.917 52.037 0.068 0.000 0.656 192 A CB -1.565 17.438 19.000 0.005 0.000 0.800 192 A HN 0.529 nan 8.150 nan 0.000 0.453 193 S N -0.336 115.413 115.700 0.082 0.000 2.440 193 S HA -0.208 4.262 4.470 0.001 0.000 0.240 193 S C 1.530 176.188 174.600 0.097 0.000 1.014 193 S CA 1.807 60.051 58.200 0.074 0.000 0.980 193 S CB -0.459 62.786 63.200 0.075 0.000 0.775 193 S HN 0.614 nan 8.310 nan 0.000 0.499 194 D N 0.749 121.235 120.400 0.144 0.000 2.120 194 D HA 0.113 4.753 4.640 0.001 0.000 0.202 194 D C 0.549 176.903 176.300 0.091 0.000 0.972 194 D CA 0.781 54.865 54.000 0.140 0.000 0.837 194 D CB -0.036 40.865 40.800 0.168 0.000 0.989 194 D HN 0.436 nan 8.370 nan 0.000 0.469 195 I N 2.358 122.989 120.570 0.100 0.000 2.287 195 I HA 0.238 4.408 4.170 0.001 0.000 0.290 195 I C -2.169 173.952 176.117 0.007 0.000 1.069 195 I CA -1.803 59.532 61.300 0.058 0.000 1.237 195 I CB 1.222 39.277 38.000 0.091 0.000 1.418 195 I HN -0.206 nan 8.210 nan 0.000 0.481 196 P HA 0.233 nan 4.420 nan 0.000 0.318 196 P C 0.895 178.162 177.300 -0.056 0.000 1.309 196 P CA -0.279 62.808 63.100 -0.022 0.000 0.736 196 P CB 0.664 32.360 31.700 -0.007 0.000 1.440 197 A N -0.414 122.374 122.820 -0.052 0.000 1.859 197 A HA -0.268 4.053 4.320 0.001 0.000 0.217 197 A C 2.226 179.747 177.584 -0.106 0.000 1.198 197 A CA 2.455 54.450 52.037 -0.071 0.000 0.629 197 A CB -1.652 17.316 19.000 -0.054 0.000 0.830 197 A HN 0.510 nan 8.150 nan 0.000 0.446 198 Q N -1.402 118.327 119.800 -0.118 0.000 2.376 198 Q HA 0.379 4.719 4.340 0.001 0.000 0.206 198 Q C 1.854 177.729 176.000 -0.208 0.000 0.921 198 Q CA 1.153 56.849 55.803 -0.178 0.000 0.911 198 Q CB -0.375 28.233 28.738 -0.217 0.000 1.032 198 Q HN 0.532 nan 8.270 nan 0.000 0.510 199 A N 0.754 123.461 122.820 -0.189 0.000 1.845 199 A HA -0.210 4.110 4.320 0.001 0.000 0.215 199 A C 2.118 179.495 177.584 -0.345 0.000 1.195 199 A CA 1.707 53.568 52.037 -0.294 0.000 0.616 199 A CB -0.635 18.260 19.000 -0.175 0.000 0.832 199 A HN 0.386 nan 8.150 nan 0.000 0.443 200 R N -1.278 119.128 120.500 -0.158 0.000 2.105 200 R HA -0.163 4.177 4.340 0.001 0.000 0.239 200 R C 2.370 178.589 176.300 -0.134 0.000 1.135 200 R CA 1.362 57.408 56.100 -0.091 0.000 0.967 200 R CB -0.200 30.023 30.300 -0.129 0.000 0.861 200 R HN 0.292 nan 8.270 nan 0.000 0.442 201 R N 0.784 121.181 120.500 -0.172 0.000 2.127 201 R HA -0.086 4.254 4.340 0.001 0.000 0.238 201 R C 1.929 178.102 176.300 -0.211 0.000 1.134 201 R CA 1.365 57.365 56.100 -0.166 0.000 0.975 201 R CB -0.466 29.730 30.300 -0.173 0.000 0.865 201 R HN 0.339 nan 8.270 nan 0.000 0.447 202 L N -1.573 119.462 121.223 -0.313 0.000 2.416 202 L HA 0.017 4.358 4.340 0.001 0.000 0.216 202 L C 1.693 178.350 176.870 -0.355 0.000 1.098 202 L CA 0.384 54.987 54.840 -0.395 0.000 0.840 202 L CB -0.209 41.566 42.059 -0.474 0.000 0.981 202 L HN 0.128 nan 8.230 nan 0.000 0.462 203 Y N -0.384 119.821 120.300 -0.157 0.000 2.395 203 Y HA -0.056 4.494 4.550 0.001 0.000 0.293 203 Y C 2.292 178.124 175.900 -0.113 0.000 1.123 203 Y CA 0.442 58.467 58.100 -0.125 0.000 1.227 203 Y CB 0.076 38.482 38.460 -0.090 0.000 1.012 203 Y HN 0.099 nan 8.280 nan 0.000 0.552 204 I N -0.563 120.014 120.570 0.011 0.000 2.500 204 I HA -0.198 3.973 4.170 0.001 0.000 0.252 204 I C 1.961 178.039 176.117 -0.064 0.000 1.142 204 I CA 0.737 62.027 61.300 -0.018 0.000 1.451 204 I CB -0.214 37.767 38.000 -0.031 0.000 1.093 204 I HN 0.225 nan 8.210 nan 0.000 0.430 205 Q N 0.530 120.241 119.800 -0.149 0.000 2.163 205 Q HA 0.096 4.437 4.340 0.001 0.000 0.198 205 Q C 0.224 176.035 176.000 -0.315 0.000 0.954 205 Q CA 0.782 56.431 55.803 -0.256 0.000 0.851 205 Q CB -0.057 28.415 28.738 -0.444 0.000 0.928 205 Q HN 0.430 nan 8.270 nan 0.000 0.459 206 N N 1.012 119.552 118.700 -0.268 0.000 2.417 206 N HA 0.192 4.933 4.740 0.001 0.000 0.274 206 N C -2.070 173.406 175.510 -0.057 0.000 0.987 206 N CA -1.593 51.331 53.050 -0.209 0.000 0.912 206 N CB 1.723 40.055 38.487 -0.259 0.000 1.177 206 N HN -0.158 nan 8.380 nan 0.000 0.490 207 P HA -0.006 nan 4.420 nan 0.000 0.217 207 P C 0.222 177.543 177.300 0.034 0.000 1.151 207 P CA 0.977 64.085 63.100 0.014 0.000 0.828 207 P CB 0.334 32.042 31.700 0.014 0.000 0.788 208 I N -2.655 117.923 120.570 0.014 0.000 2.499 208 I HA 0.649 4.820 4.170 0.001 0.000 0.288 208 I C -1.048 175.074 176.117 0.009 0.000 1.048 208 I CA -1.678 59.631 61.300 0.014 0.000 1.062 208 I CB 2.215 40.219 38.000 0.007 0.000 1.238 208 I HN -0.307 nan 8.210 nan 0.000 0.426 209 R N 6.203 126.718 120.500 0.025 0.000 2.388 209 R HA 0.639 4.979 4.340 0.001 0.000 0.314 209 R C -2.093 174.203 176.300 -0.007 0.000 0.959 209 R CA -0.531 55.586 56.100 0.029 0.000 0.851 209 R CB 0.974 31.357 30.300 0.140 0.000 1.168 209 R HN 0.911 nan 8.270 nan 0.000 0.472 210 L N 6.267 127.479 121.223 -0.019 0.000 2.296 210 L HA 0.586 4.927 4.340 0.001 0.000 0.286 210 L C -0.908 175.928 176.870 -0.057 0.000 1.023 210 L CA -0.812 54.004 54.840 -0.040 0.000 0.812 210 L CB 1.051 43.087 42.059 -0.039 0.000 1.223 210 L HN 0.721 nan 8.230 nan 0.000 0.421 211 I N 5.148 125.678 120.570 -0.067 0.000 2.359 211 I HA 0.282 4.452 4.170 0.001 0.000 0.284 211 I C 0.899 176.951 176.117 -0.109 0.000 1.018 211 I CA -0.262 60.977 61.300 -0.102 0.000 1.173 211 I CB 1.776 39.734 38.000 -0.069 0.000 1.326 211 I HN 0.764 nan 8.210 nan 0.000 0.462 212 A N 4.765 127.475 122.820 -0.184 0.000 1.832 212 A HA -0.081 4.240 4.320 0.001 0.000 0.214 212 A C 0.892 178.424 177.584 -0.087 0.000 1.200 212 A CA 1.321 53.247 52.037 -0.186 0.000 0.610 212 A CB -0.018 18.785 19.000 -0.328 0.000 0.842 212 A HN 0.679 nan 8.150 nan 0.000 0.444 213 D N -0.915 119.453 120.400 -0.053 0.000 2.408 213 D HA 0.426 5.067 4.640 0.001 0.000 0.243 213 D C 0.627 176.985 176.300 0.096 0.000 1.075 213 D CA -0.310 53.714 54.000 0.040 0.000 0.832 213 D CB 2.096 42.958 40.800 0.104 0.000 1.162 213 D HN -0.047 nan 8.370 nan 0.000 0.515 214 V N 3.376 123.354 119.914 0.106 0.000 2.453 214 V HA -0.112 4.009 4.120 0.001 0.000 0.247 214 V C 2.099 178.355 176.094 0.270 0.000 1.048 214 V CA 1.919 64.315 62.300 0.161 0.000 1.049 214 V CB -0.210 31.652 31.823 0.064 0.000 0.672 214 V HN 0.710 nan 8.190 nan 0.000 0.457 215 A N -0.170 122.757 122.820 0.178 0.000 2.276 215 A HA 0.114 4.434 4.320 0.001 0.000 0.212 215 A C 0.800 178.452 177.584 0.113 0.000 1.230 215 A CA -0.294 51.813 52.037 0.117 0.000 0.844 215 A CB -0.998 18.041 19.000 0.065 0.000 0.860 215 A HN 0.678 nan 8.150 nan 0.000 0.486 216 Y N -1.074 119.246 120.300 0.033 0.000 2.652 216 Y HA 0.348 4.898 4.550 0.001 0.000 0.344 216 Y C 0.495 176.419 175.900 0.040 0.000 1.254 216 Y CA 0.110 58.235 58.100 0.041 0.000 1.480 216 Y CB -0.079 38.413 38.460 0.054 0.000 1.345 216 Y HN 0.006 nan 8.280 nan 0.000 0.617 217 T N 6.197 120.666 114.554 -0.141 0.000 2.762 217 T HA 0.373 4.723 4.350 0.001 0.000 0.303 217 T C -2.650 171.946 174.700 -0.173 0.000 0.977 217 T CA -2.243 59.724 62.100 -0.221 0.000 0.961 217 T CB -0.485 68.343 68.868 -0.066 0.000 0.944 217 T HN 0.579 nan 8.240 nan 0.000 0.481 218 P HA -0.004 nan 4.420 nan 0.000 0.257 218 P C -0.553 176.767 177.300 0.033 0.000 1.162 218 P CA 0.118 63.172 63.100 -0.077 0.000 0.762 218 P CB 0.155 31.790 31.700 -0.109 0.000 0.753 219 M N 5.104 124.761 119.600 0.095 0.000 2.495 219 M HA 0.184 4.665 4.480 0.001 0.000 0.346 219 M C 0.136 176.448 176.300 0.021 0.000 1.251 219 M CA -0.268 55.072 55.300 0.067 0.000 1.249 219 M CB -0.322 32.322 32.600 0.073 0.000 1.229 219 M HN 0.119 nan 8.290 nan 0.000 0.450 220 R N 1.022 121.520 120.500 -0.005 0.000 2.697 220 R HA 0.234 4.574 4.340 0.001 0.000 0.265 220 R C -0.187 175.938 176.300 -0.291 0.000 1.009 220 R CA 0.070 56.057 56.100 -0.189 0.000 1.099 220 R CB 0.028 30.174 30.300 -0.256 0.000 0.965 220 R HN 0.574 nan 8.270 nan 0.000 0.428 221 V N 0.566 120.220 119.914 -0.434 0.000 2.427 221 V HA 0.621 4.742 4.120 0.001 0.000 0.286 221 V C -0.745 175.014 176.094 -0.558 0.000 1.034 221 V CA -0.700 61.404 62.300 -0.327 0.000 0.893 221 V CB 0.906 32.617 31.823 -0.186 0.000 0.982 221 V HN 0.467 nan 8.190 nan 0.000 0.452 222 F N 3.858 123.840 119.950 0.054 0.000 2.565 222 F HA 0.753 5.280 4.527 0.001 0.000 0.313 222 F C -2.266 173.578 175.800 0.072 0.000 1.091 222 F CA -2.433 55.612 58.000 0.075 0.000 0.915 222 F CB 2.107 41.137 39.000 0.051 0.000 1.208 222 F HN 0.385 nan 8.300 nan 0.000 0.453 223 P HA 0.124 nan 4.420 nan 0.000 0.268 223 P C -0.055 177.449 177.300 0.341 0.000 1.208 223 P CA 0.193 63.500 63.100 0.345 0.000 0.777 223 P CB 0.856 32.701 31.700 0.242 0.000 0.875 224 A N 2.889 125.903 122.820 0.323 0.000 1.903 224 A HA 0.039 4.359 4.320 0.001 0.000 0.213 224 A C 0.692 178.347 177.584 0.118 0.000 1.185 224 A CA 1.176 53.322 52.037 0.181 0.000 0.628 224 A CB -0.405 18.711 19.000 0.193 0.000 0.830 224 A HN 0.425 nan 8.150 nan 0.000 0.446 225 L N 1.199 122.452 121.223 0.051 0.000 2.272 225 L HA 0.259 4.599 4.340 0.001 0.000 0.289 225 L C -0.380 176.360 176.870 -0.217 0.000 1.032 225 L CA -0.487 54.280 54.840 -0.121 0.000 0.810 225 L CB 0.476 42.496 42.059 -0.064 0.000 1.205 225 L HN 0.330 nan 8.230 nan 0.000 0.422 226 N N 5.996 124.296 118.700 -0.667 0.000 2.332 226 N HA -0.031 4.709 4.740 0.001 0.000 0.274 226 N C -1.650 173.746 175.510 -0.190 0.000 1.351 226 N CA -0.641 52.078 53.050 -0.551 0.000 0.875 226 N CB 0.802 38.795 38.487 -0.824 0.000 1.140 226 N HN 0.314 nan 8.380 nan 0.000 0.489 227 P HA -0.139 nan 4.420 nan 0.000 0.219 227 P C 0.628 177.911 177.300 -0.028 0.000 1.146 227 P CA 1.057 64.145 63.100 -0.020 0.000 0.808 227 P CB 0.286 31.997 31.700 0.019 0.000 0.779 228 E N -1.499 118.682 120.200 -0.032 0.000 2.150 228 E HA -0.103 4.247 4.350 0.001 0.000 0.193 228 E C 1.827 178.406 176.600 -0.036 0.000 0.985 228 E CA 1.495 57.881 56.400 -0.023 0.000 0.814 228 E CB -0.753 28.941 29.700 -0.010 0.000 0.752 228 E HN 0.258 nan 8.360 nan 0.000 0.466 229 T N -1.381 113.133 114.554 -0.066 0.000 2.955 229 T HA 0.026 4.377 4.350 0.001 0.000 0.251 229 T C 0.531 175.191 174.700 -0.068 0.000 1.002 229 T CA 0.479 62.541 62.100 -0.064 0.000 0.970 229 T CB -0.185 68.638 68.868 -0.075 0.000 1.091 229 T HN 0.265 nan 8.240 nan 0.000 0.495 230 N N 0.984 119.632 118.700 -0.088 0.000 2.735 230 N HA -0.143 4.597 4.740 0.001 0.000 0.248 230 N C -1.231 174.230 175.510 -0.082 0.000 1.083 230 N CA 0.620 53.626 53.050 -0.075 0.000 0.703 230 N CB -0.469 37.994 38.487 -0.040 0.000 1.005 230 N HN 0.637 nan 8.380 nan 0.000 0.550 231 E N 0.082 120.205 120.200 -0.129 0.000 2.291 231 E HA 0.170 4.520 4.350 0.001 0.000 0.276 231 E C -0.928 175.560 176.600 -0.187 0.000 0.896 231 E CA -0.637 55.695 56.400 -0.112 0.000 0.774 231 E CB 1.741 31.401 29.700 -0.066 0.000 1.227 231 E HN 0.179 nan 8.360 nan 0.000 0.413 232 S N 2.232 117.846 115.700 -0.143 0.000 2.561 232 S HA 0.006 4.476 4.470 0.001 0.000 0.294 232 S C -0.148 174.390 174.600 -0.104 0.000 1.294 232 S CA -0.181 57.930 58.200 -0.149 0.000 1.055 232 S CB 0.051 63.219 63.200 -0.054 0.000 0.819 232 S HN 0.272 nan 8.310 nan 0.000 0.503 233 F N 3.037 123.029 119.950 0.070 0.000 2.602 233 F HA 0.051 4.579 4.527 0.001 0.000 0.385 233 F C 1.316 177.201 175.800 0.141 0.000 1.063 233 F CA 0.159 58.251 58.000 0.152 0.000 1.233 233 F CB 0.248 39.372 39.000 0.207 0.000 1.067 233 F HN 0.495 nan 8.300 nan 0.000 0.564 234 D N 5.241 125.877 120.400 0.394 0.000 2.402 234 D HA 0.089 4.730 4.640 0.001 0.000 0.235 234 D C 0.460 176.890 176.300 0.217 0.000 1.226 234 D CA 0.005 54.201 54.000 0.327 0.000 0.918 234 D CB 0.419 41.487 40.800 0.447 0.000 1.043 234 D HN 0.558 nan 8.370 nan 0.000 0.506 235 L N 2.874 124.149 121.223 0.087 0.000 2.672 235 L HA 0.003 4.344 4.340 0.001 0.000 0.236 235 L C 2.219 179.014 176.870 -0.126 0.000 1.186 235 L CA -0.150 54.645 54.840 -0.075 0.000 0.977 235 L CB -0.081 41.961 42.059 -0.029 0.000 1.203 235 L HN 0.235 nan 8.230 nan 0.000 0.448 236 S N -0.577 115.061 115.700 -0.103 0.000 2.387 236 S HA -0.193 4.277 4.470 0.001 0.000 0.230 236 S C 1.066 175.422 174.600 -0.407 0.000 1.035 236 S CA 1.492 59.554 58.200 -0.230 0.000 1.014 236 S CB -0.224 62.815 63.200 -0.269 0.000 0.836 236 S HN 0.484 nan 8.310 nan 0.000 0.466 237 Y N 1.086 121.038 120.300 -0.580 0.000 2.811 237 Y HA 0.394 4.944 4.550 0.001 0.000 0.330 237 Y C 0.793 176.190 175.900 -0.839 0.000 1.081 237 Y CA -0.542 57.148 58.100 -0.682 0.000 1.408 237 Y CB 0.294 38.318 38.460 -0.726 0.000 1.235 237 Y HN 0.063 nan 8.280 nan 0.000 0.529 238 S N -0.683 114.780 115.700 -0.395 0.000 2.654 238 S HA 0.384 4.854 4.470 0.001 0.000 0.283 238 S C 0.839 175.339 174.600 -0.168 0.000 1.180 238 S CA -0.570 57.484 58.200 -0.243 0.000 1.021 238 S CB 1.202 64.328 63.200 -0.122 0.000 1.018 238 S HN 0.124 nan 8.310 nan 0.000 0.532 239 V N 3.696 123.566 119.914 -0.073 0.000 3.645 239 V HA 0.249 4.369 4.120 0.001 0.000 0.275 239 V C 1.054 177.169 176.094 0.034 0.000 1.356 239 V CA 0.282 62.579 62.300 -0.006 0.000 1.051 239 V CB -0.297 31.565 31.823 0.065 0.000 0.828 239 V HN 0.758 nan 8.190 nan 0.000 0.441 240 L N -0.316 120.909 121.223 0.004 0.000 2.766 240 L HA 0.335 4.675 4.340 0.001 0.000 0.242 240 L C 1.256 178.117 176.870 -0.015 0.000 1.136 240 L CA -0.148 54.690 54.840 -0.003 0.000 0.933 240 L CB 0.179 42.206 42.059 -0.053 0.000 1.241 240 L HN 0.165 nan 8.230 nan 0.000 0.522 241 R N 2.294 122.775 120.500 -0.032 0.000 2.494 241 R HA -0.038 4.303 4.340 0.001 0.000 0.291 241 R C 0.562 176.847 176.300 -0.026 0.000 0.953 241 R CA 0.212 56.291 56.100 -0.035 0.000 1.098 241 R CB 0.496 30.755 30.300 -0.068 0.000 0.911 241 R HN 0.273 nan 8.270 nan 0.000 0.407 242 S N 2.698 118.408 115.700 0.016 0.000 2.579 242 S HA 0.159 4.630 4.470 0.001 0.000 0.275 242 S C 0.354 174.990 174.600 0.059 0.000 1.345 242 S CA -1.045 57.200 58.200 0.075 0.000 1.031 242 S CB 1.329 64.636 63.200 0.178 0.000 0.892 242 S HN 0.365 nan 8.310 nan 0.000 0.529 243 V N 1.795 121.774 119.914 0.109 0.000 3.036 243 V HA 0.430 4.550 4.120 0.001 0.000 0.308 243 V C 0.905 177.095 176.094 0.159 0.000 1.070 243 V CA -0.642 61.718 62.300 0.099 0.000 1.056 243 V CB 1.556 33.448 31.823 0.114 0.000 1.084 243 V HN 1.052 nan 8.190 nan 0.000 0.471 244 S N 2.771 118.539 115.700 0.114 0.000 2.548 244 S HA 0.239 4.710 4.470 0.001 0.000 0.277 244 S C -1.474 173.225 174.600 0.164 0.000 1.315 244 S CA -1.011 57.259 58.200 0.117 0.000 1.050 244 S CB 1.106 64.355 63.200 0.081 0.000 0.918 244 S HN 0.565 nan 8.310 nan 0.000 0.497 245 P HA -0.131 nan 4.420 nan 0.000 0.216 245 P C 1.545 178.912 177.300 0.112 0.000 1.153 245 P CA 0.964 64.126 63.100 0.104 0.000 0.858 245 P CB -0.010 31.729 31.700 0.064 0.000 0.789 246 I N -1.089 119.551 120.570 0.117 0.000 2.194 246 I HA -0.279 3.892 4.170 0.001 0.000 0.246 246 I C 2.397 178.620 176.117 0.176 0.000 1.093 246 I CA 2.085 63.461 61.300 0.126 0.000 1.355 246 I CB -1.557 36.518 38.000 0.124 0.000 1.046 246 I HN 0.128 nan 8.210 nan 0.000 0.413 247 H N 0.447 119.578 119.070 0.102 0.000 2.363 247 H HA -0.101 4.455 4.556 0.001 0.000 0.301 247 H C 2.466 177.862 175.328 0.114 0.000 1.074 247 H CA 2.040 58.149 56.048 0.102 0.000 1.354 247 H CB -0.088 29.697 29.762 0.038 0.000 1.397 247 H HN 0.276 nan 8.280 nan 0.000 0.516 248 C N 0.826 120.181 119.300 0.092 0.000 2.403 248 C HA -0.130 4.330 4.460 0.001 0.000 0.279 248 C C 2.606 177.601 174.990 0.008 0.000 1.269 248 C CA 1.482 60.531 59.018 0.052 0.000 1.774 248 C CB -0.777 27.064 27.740 0.170 0.000 1.993 248 C HN 0.769 nan 8.230 nan 0.000 0.496 249 E N -0.648 119.575 120.200 0.037 0.000 2.107 249 E HA -0.211 4.139 4.350 0.001 0.000 0.191 249 E C 2.010 178.630 176.600 0.034 0.000 0.982 249 E CA 0.893 57.311 56.400 0.030 0.000 0.809 249 E CB -0.308 29.411 29.700 0.032 0.000 0.756 249 E HN 0.697 nan 8.360 nan 0.000 0.459 250 Y N 1.367 121.599 120.300 -0.113 0.000 2.181 250 Y HA -0.165 4.385 4.550 0.001 0.000 0.288 250 Y C 1.930 177.727 175.900 -0.171 0.000 1.146 250 Y CA 1.360 59.379 58.100 -0.135 0.000 1.164 250 Y CB -0.246 38.119 38.460 -0.159 0.000 0.982 250 Y HN 0.062 nan 8.280 nan 0.000 0.515 251 L N -0.803 120.403 121.223 -0.027 0.000 2.072 251 L HA -0.183 4.158 4.340 0.001 0.000 0.205 251 L C 2.270 179.141 176.870 0.002 0.000 1.079 251 L CA 1.915 56.703 54.840 -0.087 0.000 0.752 251 L CB -1.077 40.833 42.059 -0.248 0.000 0.906 251 L HN 0.284 nan 8.230 nan 0.000 0.436 252 T N -3.858 110.699 114.554 0.005 0.000 3.051 252 T HA -0.063 4.287 4.350 0.001 0.000 0.269 252 T C 1.509 176.225 174.700 0.026 0.000 1.127 252 T CA 0.702 62.814 62.100 0.020 0.000 1.107 252 T CB -0.311 68.569 68.868 0.020 0.000 0.898 252 T HN 0.198 nan 8.240 nan 0.000 0.517 253 N N 1.517 120.235 118.700 0.031 0.000 2.216 253 N HA 0.159 4.899 4.740 0.001 0.000 0.183 253 N C 1.517 177.057 175.510 0.049 0.000 1.017 253 N CA 0.985 54.043 53.050 0.014 0.000 0.861 253 N CB -0.311 38.144 38.487 -0.052 0.000 0.986 253 N HN 0.502 nan 8.380 nan 0.000 0.428 254 M N -1.144 118.517 119.600 0.101 0.000 2.502 254 M HA 0.260 4.740 4.480 0.001 0.000 0.243 254 M C 0.608 176.981 176.300 0.122 0.000 1.130 254 M CA 0.191 55.581 55.300 0.150 0.000 1.055 254 M CB 0.564 33.302 32.600 0.230 0.000 1.457 254 M HN 0.087 nan 8.290 nan 0.000 0.488 255 G N 1.459 110.306 108.800 0.079 0.000 2.248 255 G HA2 -0.145 3.815 3.960 0.001 0.000 0.252 255 G HA3 -0.145 3.815 3.960 0.001 0.000 0.252 255 G C -0.494 174.443 174.900 0.063 0.000 1.085 255 G CA -0.362 44.774 45.100 0.059 0.000 0.845 255 G HN 0.313 nan 8.290 nan 0.000 0.494 256 V N 0.346 120.292 119.914 0.053 0.000 2.525 256 V HA 0.635 4.755 4.120 0.001 0.000 0.299 256 V C 0.746 176.837 176.094 -0.004 0.000 1.034 256 V CA -0.323 61.994 62.300 0.029 0.000 0.863 256 V CB 1.651 33.476 31.823 0.003 0.000 0.999 256 V HN 0.601 nan 8.190 nan 0.000 0.423 257 R N 2.687 123.200 120.500 0.020 0.000 2.629 257 R HA 0.783 5.123 4.340 0.001 0.000 0.408 257 R C -0.094 176.227 176.300 0.035 0.000 1.057 257 R CA -0.109 56.007 56.100 0.027 0.000 1.119 257 R CB 1.149 31.475 30.300 0.044 0.000 1.403 257 R HN 0.598 nan 8.270 nan 0.000 0.576 258 A N 0.673 123.518 122.820 0.042 0.000 2.465 258 A HA 0.585 4.906 4.320 0.001 0.000 0.292 258 A C -1.197 176.448 177.584 0.102 0.000 1.041 258 A CA -0.594 51.489 52.037 0.077 0.000 0.718 258 A CB 2.078 21.146 19.000 0.114 0.000 1.266 258 A HN 0.145 nan 8.150 nan 0.000 0.403 259 S N 2.780 118.512 115.700 0.053 0.000 2.541 259 S HA 0.866 5.337 4.470 0.001 0.000 0.280 259 S C -0.991 173.586 174.600 -0.038 0.000 1.112 259 S CA -0.488 57.699 58.200 -0.023 0.000 0.925 259 S CB 1.363 64.522 63.200 -0.068 0.000 1.067 259 S HN 1.173 nan 8.310 nan 0.000 0.479 260 M N 4.197 123.696 119.600 -0.167 0.000 2.274 260 M HA 0.337 4.818 4.480 0.001 0.000 0.272 260 M C -1.807 174.346 176.300 -0.246 0.000 1.053 260 M CA -0.155 55.012 55.300 -0.222 0.000 0.978 260 M CB 1.626 34.039 32.600 -0.311 0.000 1.836 260 M HN 0.829 nan 8.290 nan 0.000 0.484 261 S N 5.437 121.055 115.700 -0.136 0.000 2.532 261 S HA 0.765 5.236 4.470 0.001 0.000 0.299 261 S C -0.748 173.820 174.600 -0.053 0.000 1.105 261 S CA -0.900 57.234 58.200 -0.109 0.000 1.018 261 S CB 1.752 64.867 63.200 -0.142 0.000 1.021 261 S HN 0.583 nan 8.310 nan 0.000 0.483 262 I N 2.779 123.361 120.570 0.019 0.000 2.353 262 I HA 0.377 4.547 4.170 0.001 0.000 0.293 262 I C 0.302 176.472 176.117 0.088 0.000 0.992 262 I CA -0.386 60.986 61.300 0.119 0.000 1.268 262 I CB 1.305 39.479 38.000 0.290 0.000 1.387 262 I HN 0.682 nan 8.210 nan 0.000 0.478 263 S N 6.883 122.614 115.700 0.052 0.000 2.508 263 S HA 0.585 5.056 4.470 0.001 0.000 0.284 263 S C 0.071 174.678 174.600 0.011 0.000 1.192 263 S CA -0.530 57.675 58.200 0.008 0.000 1.070 263 S CB 1.453 64.677 63.200 0.041 0.000 1.004 263 S HN 0.344 nan 8.310 nan 0.000 0.493 264 I N 3.331 123.896 120.570 -0.009 0.000 2.330 264 I HA 0.316 4.487 4.170 0.001 0.000 0.286 264 I C -0.936 175.241 176.117 0.101 0.000 1.025 264 I CA -0.576 60.740 61.300 0.028 0.000 1.197 264 I CB 1.038 39.069 38.000 0.052 0.000 1.358 264 I HN 0.243 nan 8.210 nan 0.000 0.467 265 V N 7.079 127.024 119.914 0.052 0.000 2.409 265 V HA 0.331 4.452 4.120 0.001 0.000 0.291 265 V C 0.006 176.107 176.094 0.011 0.000 1.020 265 V CA -0.814 61.518 62.300 0.052 0.000 0.848 265 V CB 1.908 33.746 31.823 0.025 0.000 0.990 265 V HN 0.496 nan 8.190 nan 0.000 0.430 266 V N 2.802 122.725 119.914 0.014 0.000 2.293 266 V HA 0.945 5.065 4.120 0.001 0.000 0.275 266 V C 0.770 176.851 176.094 -0.022 0.000 1.021 266 V CA 0.486 62.754 62.300 -0.053 0.000 0.815 266 V CB 0.052 31.782 31.823 -0.156 0.000 1.025 266 V HN 1.421 nan 8.190 nan 0.000 0.448 267 G N 5.067 113.854 108.800 -0.022 0.000 2.602 267 G HA2 -0.235 3.726 3.960 0.001 0.000 0.310 267 G HA3 -0.235 3.726 3.960 0.001 0.000 0.310 267 G C 0.936 175.839 174.900 0.004 0.000 1.183 267 G CA 0.617 45.711 45.100 -0.009 0.000 0.979 267 G HN 1.911 nan 8.290 nan 0.000 0.545 268 G N 0.475 109.281 108.800 0.009 0.000 3.126 268 G HA2 0.439 4.399 3.960 0.001 0.000 0.224 268 G HA3 0.439 4.399 3.960 0.001 0.000 0.224 268 G C 0.609 175.515 174.900 0.011 0.000 1.142 268 G CA 1.209 46.314 45.100 0.009 0.000 0.759 268 G HN 0.722 nan 8.290 nan 0.000 0.550 269 K N 0.560 120.978 120.400 0.030 0.000 2.138 269 K HA 0.460 4.781 4.320 0.001 0.000 0.263 269 K C -0.850 175.790 176.600 0.067 0.000 0.965 269 K CA -0.949 55.364 56.287 0.044 0.000 0.868 269 K CB 1.299 33.853 32.500 0.091 0.000 1.083 269 K HN -0.033 nan 8.250 nan 0.000 0.443 270 L N 6.326 127.559 121.223 0.018 0.000 2.401 270 L HA 0.127 4.467 4.340 0.001 0.000 0.283 270 L C 0.346 177.320 176.870 0.173 0.000 1.151 270 L CA 0.084 54.947 54.840 0.038 0.000 0.942 270 L CB -0.204 41.796 42.059 -0.098 0.000 1.283 270 L HN 0.828 nan 8.230 nan 0.000 0.442 271 W N 4.952 126.293 121.300 0.068 0.000 2.353 271 W HA 0.183 4.843 4.660 0.001 0.000 0.319 271 W C 1.084 177.750 176.519 0.246 0.000 1.207 271 W CA 1.553 58.970 57.345 0.120 0.000 1.291 271 W CB -0.092 29.382 29.460 0.023 0.000 1.159 271 W HN 0.548 nan 8.180 nan 0.000 0.478 272 G N -1.180 107.722 108.800 0.170 0.000 2.721 272 G HA2 0.543 4.503 3.960 0.001 0.000 0.296 272 G HA3 0.543 4.503 3.960 0.001 0.000 0.296 272 G C -2.107 172.735 174.900 -0.098 0.000 1.383 272 G CA -0.337 44.693 45.100 -0.118 0.000 0.788 272 G HN 0.428 nan 8.290 nan 0.000 0.500 273 L N -3.137 117.922 121.223 -0.273 0.000 2.540 273 L HA 0.823 5.163 4.340 0.001 0.000 0.256 273 L C -1.607 174.912 176.870 -0.584 0.000 1.001 273 L CA -1.772 52.853 54.840 -0.358 0.000 0.843 273 L CB 1.089 43.049 42.059 -0.164 0.000 1.436 273 L HN 0.430 nan 8.230 nan 0.000 0.410 274 F N 0.695 120.557 119.950 -0.148 0.000 2.335 274 F HA 0.587 5.115 4.527 0.001 0.000 0.365 274 F C 0.915 176.572 175.800 -0.239 0.000 1.122 274 F CA -0.221 57.655 58.000 -0.206 0.000 1.151 274 F CB 1.555 40.513 39.000 -0.069 0.000 1.282 274 F HN 0.632 nan 8.300 nan 0.000 0.513 275 S N 3.737 119.324 115.700 -0.189 0.000 2.410 275 S HA 0.383 4.854 4.470 0.001 0.000 0.304 275 S C -0.380 174.183 174.600 -0.062 0.000 1.095 275 S CA -0.583 57.566 58.200 -0.085 0.000 1.089 275 S CB -0.161 63.076 63.200 0.062 0.000 0.968 275 S HN 0.660 nan 8.310 nan 0.000 0.480 276 C N 5.648 124.873 119.300 -0.124 0.000 2.388 276 C HA 0.476 4.936 4.460 0.001 0.000 0.362 276 C C 0.248 175.293 174.990 0.092 0.000 1.266 276 C CA -0.625 58.254 59.018 -0.231 0.000 2.028 276 C CB -0.525 26.654 27.740 -0.935 0.000 2.440 276 C HN 0.803 nan 8.230 nan 0.000 0.547 277 H N 1.103 120.195 119.070 0.037 0.000 2.658 277 H HA 0.295 4.852 4.556 0.001 0.000 0.337 277 H C -1.034 174.482 175.328 0.312 0.000 1.009 277 H CA -0.329 55.816 56.048 0.162 0.000 1.231 277 H CB 1.353 31.166 29.762 0.085 0.000 1.508 277 H HN 0.729 nan 8.280 nan 0.000 0.517 278 H N 3.426 122.675 119.070 0.297 0.000 2.489 278 H HA 0.146 4.703 4.556 0.001 0.000 0.343 278 H C 0.642 176.005 175.328 0.058 0.000 1.086 278 H CA -0.768 55.364 56.048 0.141 0.000 1.198 278 H CB 1.088 30.825 29.762 -0.041 0.000 1.490 278 H HN 0.531 nan 8.280 nan 0.000 0.504 279 M N 2.553 122.073 119.600 -0.134 0.000 2.682 279 M HA 0.079 4.560 4.480 0.001 0.000 0.235 279 M C -0.135 176.177 176.300 0.020 0.000 1.114 279 M CA 0.265 55.541 55.300 -0.040 0.000 1.053 279 M CB -1.430 31.123 32.600 -0.078 0.000 1.599 279 M HN 0.528 nan 8.290 nan 0.000 0.520 280 S N -1.069 114.717 115.700 0.144 0.000 2.550 280 S HA 0.628 5.098 4.470 0.001 0.000 0.270 280 S C -3.147 171.553 174.600 0.166 0.000 1.145 280 S CA -1.401 56.891 58.200 0.153 0.000 0.852 280 S CB 2.074 65.351 63.200 0.128 0.000 1.119 280 S HN -0.125 nan 8.310 nan 0.000 0.465 281 P HA 0.226 nan 4.420 nan 0.000 0.258 281 P C -0.827 176.399 177.300 -0.123 0.000 1.172 281 P CA 0.387 63.476 63.100 -0.018 0.000 0.762 281 P CB 0.147 31.842 31.700 -0.008 0.000 0.764 282 K N 3.298 123.572 120.400 -0.210 0.000 2.482 282 K HA 0.765 5.086 4.320 0.001 0.000 0.257 282 K C -1.851 174.599 176.600 -0.250 0.000 0.969 282 K CA -1.024 55.050 56.287 -0.355 0.000 0.842 282 K CB 1.608 33.625 32.500 -0.805 0.000 1.359 282 K HN 0.346 nan 8.250 nan 0.000 0.441 283 L N 3.476 124.561 121.223 -0.230 0.000 2.513 283 L HA 0.556 4.897 4.340 0.001 0.000 0.261 283 L C -1.930 174.871 176.870 -0.114 0.000 0.945 283 L CA -0.713 54.026 54.840 -0.168 0.000 0.848 283 L CB 1.632 43.576 42.059 -0.192 0.000 1.334 283 L HN 0.632 nan 8.230 nan 0.000 0.407 284 I N 4.870 125.406 120.570 -0.057 0.000 2.441 284 I HA 0.598 4.768 4.170 0.001 0.000 0.295 284 I C -2.140 173.992 176.117 0.024 0.000 0.994 284 I CA -2.105 59.190 61.300 -0.009 0.000 1.144 284 I CB 1.310 39.329 38.000 0.031 0.000 1.314 284 I HN 0.455 nan 8.210 nan 0.000 0.445 285 P HA -0.032 nan 4.420 nan 0.000 0.269 285 P C 0.287 177.653 177.300 0.111 0.000 1.217 285 P CA 0.009 63.157 63.100 0.079 0.000 0.783 285 P CB 0.441 32.176 31.700 0.059 0.000 0.898 286 Y N 5.090 125.417 120.300 0.045 0.000 2.049 286 Y HA -0.172 4.378 4.550 0.001 0.000 0.277 286 Y C -0.859 175.058 175.900 0.029 0.000 1.143 286 Y CA 2.335 60.461 58.100 0.043 0.000 1.115 286 Y CB -2.071 36.416 38.460 0.044 0.000 0.975 286 Y HN 0.400 nan 8.280 nan 0.000 0.487 287 P HA -0.168 nan 4.420 nan 0.000 0.221 287 P C 1.665 178.857 177.300 -0.180 0.000 1.145 287 P CA 1.719 64.760 63.100 -0.100 0.000 0.795 287 P CB -0.038 31.697 31.700 0.059 0.000 0.775 288 V N -0.555 119.289 119.914 -0.117 0.000 2.379 288 V HA -0.129 3.991 4.120 0.001 0.000 0.243 288 V C 2.491 178.537 176.094 -0.080 0.000 1.035 288 V CA 1.437 63.660 62.300 -0.128 0.000 1.035 288 V CB -0.851 30.969 31.823 -0.006 0.000 0.673 288 V HN 0.011 nan 8.190 nan 0.000 0.457 289 R N -0.218 120.313 120.500 0.052 0.000 2.094 289 R HA -0.181 4.160 4.340 0.001 0.000 0.239 289 R C 2.286 178.647 176.300 0.102 0.000 1.137 289 R CA 1.743 57.968 56.100 0.207 0.000 0.943 289 R CB -0.406 29.901 30.300 0.013 0.000 0.850 289 R HN 0.343 nan 8.270 nan 0.000 0.433 290 M N 0.327 119.792 119.600 -0.225 0.000 2.346 290 M HA -0.102 4.378 4.480 0.001 0.000 0.263 290 M C 2.013 178.196 176.300 -0.196 0.000 1.064 290 M CA 1.296 56.453 55.300 -0.238 0.000 1.083 290 M CB -0.940 31.411 32.600 -0.415 0.000 1.399 290 M HN 0.014 nan 8.290 nan 0.000 0.435 291 S N 0.281 115.754 115.700 -0.377 0.000 2.419 291 S HA -0.050 4.420 4.470 0.001 0.000 0.233 291 S C 1.384 175.604 174.600 -0.633 0.000 1.016 291 S CA 0.921 58.738 58.200 -0.638 0.000 0.974 291 S CB -0.367 62.130 63.200 -1.172 0.000 0.786 291 S HN 0.454 nan 8.310 nan 0.000 0.492 292 F N 1.332 121.149 119.950 -0.222 0.000 2.811 292 F HA 0.172 4.699 4.527 0.001 0.000 0.301 292 F C 2.213 178.090 175.800 0.128 0.000 1.151 292 F CA 0.059 58.047 58.000 -0.020 0.000 1.412 292 F CB -0.254 38.717 39.000 -0.049 0.000 1.113 292 F HN 0.226 nan 8.300 nan 0.000 0.579 293 Q N 0.735 120.638 119.800 0.172 0.000 2.354 293 Q HA -0.010 4.331 4.340 0.001 0.000 0.203 293 Q C 2.011 178.094 176.000 0.138 0.000 0.933 293 Q CA 0.705 56.585 55.803 0.129 0.000 0.901 293 Q CB 0.030 28.799 28.738 0.052 0.000 1.007 293 Q HN 0.488 nan 8.270 nan 0.000 0.495 294 I N 0.460 121.142 120.570 0.187 0.000 2.916 294 I HA -0.164 4.007 4.170 0.001 0.000 0.267 294 I C 1.431 177.718 176.117 0.283 0.000 1.263 294 I CA 0.609 62.040 61.300 0.217 0.000 1.471 294 I CB -0.033 38.147 38.000 0.300 0.000 1.089 294 I HN 0.280 nan 8.210 nan 0.000 0.468 295 F N -0.035 120.033 119.950 0.196 0.000 2.717 295 F HA 0.105 4.632 4.527 0.001 0.000 0.297 295 F C 2.347 178.255 175.800 0.180 0.000 1.113 295 F CA 0.339 58.444 58.000 0.176 0.000 1.319 295 F CB -0.072 39.057 39.000 0.214 0.000 1.097 295 F HN -0.128 nan 8.300 nan 0.000 0.595 296 S N -0.227 115.446 115.700 -0.044 0.000 2.507 296 S HA -0.122 4.348 4.470 0.001 0.000 0.235 296 S C 1.594 176.123 174.600 -0.118 0.000 0.988 296 S CA 1.377 59.510 58.200 -0.111 0.000 0.944 296 S CB -0.265 62.949 63.200 0.023 0.000 0.762 296 S HN 0.681 nan 8.310 nan 0.000 0.526 297 Q N -0.315 119.441 119.800 -0.073 0.000 2.390 297 Q HA 0.164 4.504 4.340 0.001 0.000 0.216 297 Q C 2.066 178.030 176.000 -0.060 0.000 0.916 297 Q CA 0.788 56.562 55.803 -0.047 0.000 0.911 297 Q CB -0.016 28.722 28.738 0.001 0.000 1.035 297 Q HN 0.445 nan 8.270 nan 0.000 0.541 298 V N 0.327 120.220 119.914 -0.034 0.000 2.867 298 V HA -0.243 3.877 4.120 0.001 0.000 0.260 298 V C 1.887 177.961 176.094 -0.033 0.000 1.099 298 V CA 1.248 63.558 62.300 0.016 0.000 1.122 298 V CB -0.319 31.604 31.823 0.166 0.000 0.708 298 V HN 0.457 nan 8.190 nan 0.000 0.490 299 C N -1.144 118.049 119.300 -0.178 0.000 2.525 299 C HA 0.036 4.496 4.460 0.001 0.000 0.291 299 C C 3.028 177.935 174.990 -0.139 0.000 1.351 299 C CA 0.766 59.702 59.018 -0.136 0.000 1.771 299 C CB -0.393 27.221 27.740 -0.210 0.000 2.177 299 C HN 0.556 nan 8.230 nan 0.000 0.510 300 S N 1.325 116.938 115.700 -0.145 0.000 2.400 300 S HA -0.133 4.338 4.470 0.001 0.000 0.232 300 S C 1.960 176.465 174.600 -0.159 0.000 1.025 300 S CA 1.484 59.593 58.200 -0.151 0.000 0.993 300 S CB -0.250 62.891 63.200 -0.098 0.000 0.808 300 S HN 0.726 nan 8.310 nan 0.000 0.478 301 A N 1.249 124.000 122.820 -0.114 0.000 1.871 301 A HA 0.225 4.546 4.320 0.001 0.000 0.211 301 A C 1.954 179.480 177.584 -0.098 0.000 1.207 301 A CA 0.549 52.531 52.037 -0.093 0.000 0.620 301 A CB -0.530 18.435 19.000 -0.058 0.000 0.860 301 A HN 0.439 nan 8.150 nan 0.000 0.450 302 I N -0.168 120.357 120.570 -0.076 0.000 2.756 302 I HA -0.145 4.026 4.170 0.001 0.000 0.262 302 I C 1.973 178.030 176.117 -0.101 0.000 1.225 302 I CA 0.597 61.861 61.300 -0.060 0.000 1.472 302 I CB 0.027 38.020 38.000 -0.011 0.000 1.094 302 I HN 0.143 nan 8.210 nan 0.000 0.454 303 V N 0.205 120.008 119.914 -0.185 0.000 2.685 303 V HA -0.142 3.979 4.120 0.001 0.000 0.244 303 V C 2.370 178.232 176.094 -0.387 0.000 1.054 303 V CA 1.265 63.367 62.300 -0.330 0.000 1.076 303 V CB -0.059 31.406 31.823 -0.597 0.000 0.725 303 V HN 0.394 nan 8.190 nan 0.000 0.467 304 E N 0.506 120.504 120.200 -0.337 0.000 2.047 304 E HA -0.225 4.126 4.350 0.001 0.000 0.191 304 E C 2.300 178.800 176.600 -0.167 0.000 0.987 304 E CA 1.044 57.282 56.400 -0.269 0.000 0.799 304 E CB 0.069 29.645 29.700 -0.207 0.000 0.752 304 E HN 0.395 nan 8.360 nan 0.000 0.449 305 R N 0.341 120.765 120.500 -0.127 0.000 2.189 305 R HA -0.097 4.244 4.340 0.001 0.000 0.223 305 R C 2.242 178.499 176.300 -0.072 0.000 1.092 305 R CA 0.421 56.471 56.100 -0.083 0.000 0.989 305 R CB -0.875 29.387 30.300 -0.064 0.000 0.876 305 R HN 0.249 nan 8.270 nan 0.000 0.457 306 L N 1.456 122.626 121.223 -0.088 0.000 2.131 306 L HA -0.019 4.322 4.340 0.001 0.000 0.206 306 L C 2.171 179.013 176.870 -0.048 0.000 1.087 306 L CA 1.591 56.397 54.840 -0.057 0.000 0.767 306 L CB -0.148 41.879 42.059 -0.052 0.000 0.917 306 L HN 0.001 nan 8.230 nan 0.000 0.441 307 E N -0.084 120.067 120.200 -0.081 0.000 2.015 307 E HA -0.252 4.098 4.350 0.001 0.000 0.191 307 E C 1.965 178.546 176.600 -0.033 0.000 0.991 307 E CA 1.599 57.970 56.400 -0.048 0.000 0.802 307 E CB -0.396 29.254 29.700 -0.084 0.000 0.759 307 E HN 0.723 nan 8.360 nan 0.000 0.447 308 Q N 0.175 119.946 119.800 -0.049 0.000 2.437 308 Q HA -0.001 4.339 4.340 0.001 0.000 0.210 308 Q C 1.857 177.840 176.000 -0.029 0.000 0.972 308 Q CA 1.240 57.022 55.803 -0.036 0.000 0.903 308 Q CB -0.301 28.411 28.738 -0.043 0.000 0.967 308 Q HN 0.146 nan 8.270 nan 0.000 0.486 309 G N 1.338 110.121 108.800 -0.029 0.000 2.572 309 G HA2 -0.149 3.811 3.960 0.001 0.000 0.216 309 G HA3 -0.149 3.811 3.960 0.001 0.000 0.216 309 G C 1.480 176.373 174.900 -0.012 0.000 1.133 309 G CA 0.227 45.315 45.100 -0.020 0.000 0.791 309 G HN 0.308 nan 8.290 nan 0.000 0.538 310 R N 0.360 120.854 120.500 -0.009 0.000 2.105 310 R HA 0.113 4.453 4.340 0.001 0.000 0.214 310 R C 2.399 178.696 176.300 -0.005 0.000 1.091 310 R CA 0.743 56.842 56.100 -0.001 0.000 1.007 310 R CB -0.246 30.060 30.300 0.010 0.000 0.912 310 R HN 0.329 nan 8.270 nan 0.000 0.450 311 I N 0.036 120.600 120.570 -0.009 0.000 2.493 311 I HA -0.020 4.150 4.170 0.001 0.000 0.254 311 I C 1.633 177.739 176.117 -0.019 0.000 1.160 311 I CA 1.814 63.106 61.300 -0.014 0.000 1.445 311 I CB -0.929 37.062 38.000 -0.015 0.000 1.086 311 I HN 0.150 nan 8.210 nan 0.000 0.433 312 A N 1.239 124.048 122.820 -0.018 0.000 2.067 312 A HA -0.154 4.166 4.320 0.001 0.000 0.217 312 A C 2.154 179.729 177.584 -0.016 0.000 1.156 312 A CA 1.415 53.441 52.037 -0.018 0.000 0.683 312 A CB -0.452 18.538 19.000 -0.018 0.000 0.808 312 A HN 0.641 nan 8.150 nan 0.000 0.455 313 E N -0.240 119.953 120.200 -0.013 0.000 2.166 313 E HA 0.041 4.392 4.350 0.001 0.000 0.192 313 E C 1.724 178.317 176.600 -0.012 0.000 0.967 313 E CA 0.517 56.911 56.400 -0.010 0.000 0.840 313 E CB -0.467 29.230 29.700 -0.005 0.000 0.795 313 E HN 0.419 nan 8.360 nan 0.000 0.470 314 L N 0.231 121.445 121.223 -0.014 0.000 2.127 314 L HA -0.137 4.204 4.340 0.001 0.000 0.211 314 L C 1.981 178.835 176.870 -0.028 0.000 1.089 314 L CA 0.830 55.658 54.840 -0.020 0.000 0.757 314 L CB -0.114 41.932 42.059 -0.021 0.000 0.899 314 L HN 0.321 nan 8.230 nan 0.000 0.434 315 L N -0.640 120.567 121.223 -0.028 0.000 2.049 315 L HA -0.188 4.152 4.340 0.001 0.000 0.203 315 L C 2.664 179.518 176.870 -0.026 0.000 1.074 315 L CA 1.451 56.272 54.840 -0.031 0.000 0.749 315 L CB -1.184 40.857 42.059 -0.030 0.000 0.907 315 L HN 0.361 nan 8.230 nan 0.000 0.439 316 R N 0.107 120.594 120.500 -0.021 0.000 2.119 316 R HA -0.201 4.140 4.340 0.001 0.000 0.246 316 R C 2.084 178.375 176.300 -0.016 0.000 1.146 316 R CA 2.429 58.519 56.100 -0.017 0.000 0.962 316 R CB -0.160 30.132 30.300 -0.013 0.000 0.863 316 R HN 0.427 nan 8.270 nan 0.000 0.442 317 V N -2.514 117.391 119.914 -0.015 0.000 2.346 317 V HA -0.120 4.001 4.120 0.001 0.000 0.244 317 V C 2.288 178.371 176.094 -0.018 0.000 1.037 317 V CA 1.963 64.256 62.300 -0.013 0.000 1.029 317 V CB -1.147 30.671 31.823 -0.008 0.000 0.663 317 V HN 0.323 nan 8.190 nan 0.000 0.454 318 S N 1.851 117.535 115.700 -0.027 0.000 2.381 318 S HA -0.317 4.154 4.470 0.001 0.000 0.230 318 S C 2.060 176.640 174.600 -0.034 0.000 1.052 318 S CA 3.147 61.324 58.200 -0.038 0.000 1.068 318 S CB -1.067 62.101 63.200 -0.053 0.000 0.918 318 S HN 1.003 nan 8.310 nan 0.000 0.448 319 T N -2.021 112.514 114.554 -0.031 0.000 3.129 319 T HA 0.234 4.585 4.350 0.001 0.000 0.251 319 T C 1.321 176.007 174.700 -0.023 0.000 1.117 319 T CA 1.045 63.128 62.100 -0.028 0.000 1.034 319 T CB 0.063 68.915 68.868 -0.028 0.000 0.968 319 T HN 0.564 nan 8.240 nan 0.000 0.526 320 E N 1.939 122.126 120.200 -0.020 0.000 2.206 320 E HA 0.090 4.440 4.350 0.001 0.000 0.195 320 E C 2.351 178.940 176.600 -0.018 0.000 0.935 320 E CA 0.148 56.538 56.400 -0.018 0.000 0.875 320 E CB -0.018 29.673 29.700 -0.014 0.000 0.841 320 E HN 0.572 nan 8.360 nan 0.000 0.477 321 R N 0.544 121.036 120.500 -0.014 0.000 2.307 321 R HA 0.106 4.447 4.340 0.001 0.000 0.199 321 R C 2.143 178.435 176.300 -0.014 0.000 1.000 321 R CA 0.496 56.589 56.100 -0.011 0.000 1.023 321 R CB -0.176 30.126 30.300 0.004 0.000 0.908 321 R HN 0.030 nan 8.270 nan 0.000 0.473 322 R N 1.408 121.896 120.500 -0.019 0.000 2.093 322 R HA 0.012 4.353 4.340 0.001 0.000 0.224 322 R C 2.127 178.409 176.300 -0.029 0.000 1.101 322 R CA 0.736 56.823 56.100 -0.022 0.000 0.979 322 R CB -0.160 30.125 30.300 -0.026 0.000 0.877 322 R HN 0.395 nan 8.270 nan 0.000 0.441 323 L N 0.494 121.700 121.223 -0.029 0.000 2.376 323 L HA 0.069 4.409 4.340 0.001 0.000 0.219 323 L C 2.118 178.964 176.870 -0.039 0.000 1.133 323 L CA 1.217 56.038 54.840 -0.032 0.000 0.816 323 L CB -0.152 41.891 42.059 -0.027 0.000 0.933 323 L HN 0.194 nan 8.230 nan 0.000 0.449 324 A N 0.789 123.584 122.820 -0.042 0.000 1.855 324 A HA -0.153 4.168 4.320 0.001 0.000 0.215 324 A C 2.063 179.604 177.584 -0.071 0.000 1.191 324 A CA 1.687 53.687 52.037 -0.060 0.000 0.613 324 A CB -0.844 18.117 19.000 -0.066 0.000 0.829 324 A HN 0.547 nan 8.150 nan 0.000 0.442 325 L N -1.501 119.688 121.223 -0.058 0.000 2.275 325 L HA 0.149 4.489 4.340 0.001 0.000 0.215 325 L C 2.271 179.107 176.870 -0.056 0.000 1.119 325 L CA 1.774 56.580 54.840 -0.056 0.000 0.790 325 L CB -1.505 40.530 42.059 -0.040 0.000 0.919 325 L HN 0.212 nan 8.230 nan 0.000 0.443 326 A N 0.334 123.123 122.820 -0.052 0.000 1.873 326 A HA -0.092 4.228 4.320 0.001 0.000 0.215 326 A C 2.354 179.907 177.584 -0.051 0.000 1.186 326 A CA 1.246 53.254 52.037 -0.049 0.000 0.616 326 A CB -0.523 18.452 19.000 -0.041 0.000 0.823 326 A HN 0.473 nan 8.150 nan 0.000 0.442 327 R N -1.286 119.184 120.500 -0.050 0.000 2.340 327 R HA 0.122 4.463 4.340 0.001 0.000 0.215 327 R C 1.600 177.866 176.300 -0.056 0.000 1.017 327 R CA 0.517 56.587 56.100 -0.050 0.000 1.111 327 R CB -0.077 30.196 30.300 -0.046 0.000 1.049 327 R HN 0.506 nan 8.270 nan 0.000 0.490 328 R N -1.587 118.877 120.500 -0.060 0.000 2.507 328 R HA 0.179 4.520 4.340 0.001 0.000 0.230 328 R C 1.245 177.517 176.300 -0.046 0.000 0.897 328 R CA 0.463 56.528 56.100 -0.059 0.000 1.006 328 R CB 0.562 30.814 30.300 -0.079 0.000 1.341 328 R HN 0.105 nan 8.270 nan 0.000 0.604 329 A N 0.036 122.823 122.820 -0.054 0.000 2.197 329 A HA 0.218 4.538 4.320 0.001 0.000 0.210 329 A C 1.535 179.070 177.584 -0.082 0.000 1.180 329 A CA -0.015 51.987 52.037 -0.058 0.000 0.846 329 A CB 0.230 19.192 19.000 -0.063 0.000 0.884 329 A HN 0.024 nan 8.150 nan 0.000 0.487 330 R N -0.182 120.268 120.500 -0.083 0.000 2.254 330 R HA 0.063 4.403 4.340 0.001 0.000 0.195 330 R C -0.017 176.222 176.300 -0.103 0.000 0.957 330 R CA 0.795 56.829 56.100 -0.110 0.000 1.024 330 R CB 0.030 30.281 30.300 -0.082 0.000 0.952 330 R HN 0.336 nan 8.270 nan 0.000 0.484 331 D N -0.181 120.176 120.400 -0.072 0.000 2.379 331 D HA 0.211 4.851 4.640 0.001 0.000 0.208 331 D C 0.125 176.400 176.300 -0.042 0.000 1.065 331 D CA 0.192 54.160 54.000 -0.054 0.000 0.848 331 D CB 0.817 41.593 40.800 -0.040 0.000 0.949 331 D HN 0.118 nan 8.370 nan 0.000 0.509 332 A N -0.562 122.232 122.820 -0.043 0.000 2.486 332 A HA 0.566 4.887 4.320 0.001 0.000 0.277 332 A C -0.435 177.120 177.584 -0.048 0.000 1.282 332 A CA -0.463 51.558 52.037 -0.026 0.000 0.784 332 A CB 1.127 20.128 19.000 0.002 0.000 1.350 332 A HN -0.137 nan 8.150 nan 0.000 0.454 333 D N -0.312 120.076 120.400 -0.020 0.000 2.540 333 D HA 0.141 4.782 4.640 0.001 0.000 0.229 333 D C -1.072 175.244 176.300 0.026 0.000 1.250 333 D CA 0.148 54.135 54.000 -0.021 0.000 0.817 333 D CB 0.607 41.400 40.800 -0.012 0.000 1.060 333 D HN 0.429 nan 8.370 nan 0.000 0.508 334 D N 1.571 121.999 120.400 0.047 0.000 2.468 334 D HA 0.107 4.747 4.640 0.001 0.000 0.218 334 D C 1.651 177.987 176.300 0.060 0.000 1.155 334 D CA -0.203 53.857 54.000 0.101 0.000 0.924 334 D CB 0.486 41.365 40.800 0.131 0.000 1.029 334 D HN 0.036 nan 8.370 nan 0.000 0.515 335 L N 2.586 123.796 121.223 -0.021 0.000 2.129 335 L HA -0.231 4.109 4.340 0.001 0.000 0.212 335 L C 1.579 178.361 176.870 -0.147 0.000 1.087 335 L CA 1.135 55.891 54.840 -0.140 0.000 0.757 335 L CB -0.164 41.735 42.059 -0.267 0.000 0.896 335 L HN 0.459 nan 8.230 nan 0.000 0.434 336 F N -0.760 119.215 119.950 0.043 0.000 2.146 336 F HA -0.123 4.405 4.527 0.001 0.000 0.298 336 F C 2.476 178.305 175.800 0.048 0.000 1.096 336 F CA 1.169 59.198 58.000 0.047 0.000 1.275 336 F CB -0.862 38.170 39.000 0.054 0.000 1.008 336 F HN 0.057 nan 8.300 nan 0.000 0.480 337 G N -0.837 108.102 108.800 0.232 0.000 2.509 337 G HA2 -0.031 3.929 3.960 0.001 0.000 0.218 337 G HA3 -0.031 3.929 3.960 0.001 0.000 0.218 337 G C 1.578 176.561 174.900 0.138 0.000 1.124 337 G CA 0.754 45.952 45.100 0.163 0.000 0.776 337 G HN 0.438 nan 8.290 nan 0.000 0.547 338 A N -0.262 122.614 122.820 0.094 0.000 2.140 338 A HA 0.465 4.785 4.320 0.001 0.000 0.209 338 A C 1.982 179.602 177.584 0.059 0.000 1.181 338 A CA -0.060 52.013 52.037 0.061 0.000 0.824 338 A CB 0.098 19.099 19.000 0.003 0.000 0.879 338 A HN 0.269 nan 8.150 nan 0.000 0.480 339 L N -0.993 120.259 121.223 0.048 0.000 2.591 339 L HA 0.174 4.514 4.340 0.001 0.000 0.228 339 L C 1.778 178.710 176.870 0.104 0.000 1.133 339 L CA 0.740 55.606 54.840 0.043 0.000 0.880 339 L CB 0.202 42.244 42.059 -0.029 0.000 1.033 339 L HN 0.387 nan 8.230 nan 0.000 0.450 340 A N -2.433 120.469 122.820 0.137 0.000 2.589 340 A HA 0.116 4.436 4.320 0.001 0.000 0.283 340 A C 0.381 178.050 177.584 0.140 0.000 1.187 340 A CA -0.382 51.739 52.037 0.140 0.000 0.957 340 A CB -0.290 18.796 19.000 0.144 0.000 1.175 340 A HN 0.226 nan 8.150 nan 0.000 0.532 341 H N 1.126 120.235 119.070 0.064 0.000 2.897 341 H HA 0.058 4.614 4.556 0.001 0.000 0.347 341 H C -1.484 173.880 175.328 0.060 0.000 1.068 341 H CA -0.668 55.413 56.048 0.055 0.000 1.426 341 H CB 1.183 30.970 29.762 0.043 0.000 1.410 341 H HN 0.058 nan 8.280 nan 0.000 0.597 342 P HA -0.200 nan 4.420 nan 0.000 0.214 342 P C 0.348 177.677 177.300 0.049 0.000 1.164 342 P CA 1.906 64.962 63.100 -0.073 0.000 0.942 342 P CB 0.342 31.943 31.700 -0.165 0.000 0.791 343 D N -3.198 117.263 120.400 0.102 0.000 2.454 343 D HA 0.010 4.650 4.640 0.001 0.000 0.219 343 D C -0.381 176.002 176.300 0.138 0.000 1.081 343 D CA 0.317 54.385 54.000 0.112 0.000 0.867 343 D CB -0.241 40.612 40.800 0.089 0.000 1.054 343 D HN 0.203 nan 8.370 nan 0.000 0.500 344 D N 0.662 121.187 120.400 0.207 0.000 2.767 344 D HA 0.439 5.079 4.640 0.001 0.000 0.241 344 D C 0.464 176.861 176.300 0.163 0.000 1.187 344 D CA -0.168 53.919 54.000 0.147 0.000 0.999 344 D CB 0.737 41.582 40.800 0.075 0.000 1.042 344 D HN 0.052 nan 8.370 nan 0.000 0.510 345 G N -0.196 108.696 108.800 0.153 0.000 3.013 345 G HA2 0.441 4.401 3.960 0.001 0.000 0.278 345 G HA3 0.441 4.401 3.960 0.001 0.000 0.278 345 G C 0.950 175.956 174.900 0.176 0.000 1.353 345 G CA -0.964 44.230 45.100 0.157 0.000 1.043 345 G HN 0.274 nan 8.290 nan 0.000 0.523 346 I N -1.974 118.717 120.570 0.202 0.000 2.353 346 I HA 0.053 4.223 4.170 0.001 0.000 0.248 346 I C 2.586 179.018 176.117 0.525 0.000 1.119 346 I CA 1.413 62.933 61.300 0.366 0.000 1.417 346 I CB -0.446 37.654 38.000 0.168 0.000 1.078 346 I HN 0.348 nan 8.210 nan 0.000 0.421 347 A N 1.627 124.643 122.820 0.327 0.000 1.940 347 A HA -0.028 4.293 4.320 0.001 0.000 0.219 347 A C 2.504 180.231 177.584 0.239 0.000 1.176 347 A CA 2.047 54.269 52.037 0.309 0.000 0.631 347 A CB -0.842 18.291 19.000 0.222 0.000 0.814 347 A HN 0.589 nan 8.150 nan 0.000 0.446 348 A N -1.007 121.921 122.820 0.180 0.000 2.072 348 A HA 0.211 4.531 4.320 0.001 0.000 0.216 348 A C 1.978 179.607 177.584 0.074 0.000 1.156 348 A CA 0.894 53.001 52.037 0.116 0.000 0.701 348 A CB -0.339 18.721 19.000 0.100 0.000 0.816 348 A HN 0.433 nan 8.150 nan 0.000 0.458 349 L N -0.230 121.046 121.223 0.089 0.000 2.012 349 L HA 0.049 4.390 4.340 0.001 0.000 0.210 349 L C 0.674 177.460 176.870 -0.141 0.000 1.073 349 L CA 1.829 56.661 54.840 -0.012 0.000 0.748 349 L CB -0.407 41.667 42.059 0.025 0.000 0.891 349 L HN 0.309 nan 8.230 nan 0.000 0.431 350 I N -0.791 119.651 120.570 -0.213 0.000 2.846 350 I HA 0.248 4.418 4.170 0.001 0.000 0.307 350 I C -2.185 173.897 176.117 -0.059 0.000 1.053 350 I CA -2.080 59.067 61.300 -0.256 0.000 1.050 350 I CB 1.831 39.451 38.000 -0.634 0.000 1.239 350 I HN -0.104 nan 8.210 nan 0.000 0.439 351 P HA 0.025 nan 4.420 nan 0.000 0.263 351 P C -1.005 176.321 177.300 0.043 0.000 1.247 351 P CA -0.022 63.080 63.100 0.004 0.000 0.876 351 P CB -0.216 31.462 31.700 -0.036 0.000 0.928 352 C N 1.461 120.835 119.300 0.123 0.000 3.173 352 C HA 0.466 4.927 4.460 0.001 0.000 0.310 352 C C 1.098 176.217 174.990 0.216 0.000 1.306 352 C CA -0.647 58.494 59.018 0.205 0.000 1.426 352 C CB 1.825 29.790 27.740 0.375 0.000 1.800 352 C HN 0.281 nan 8.230 nan 0.000 0.470 353 D N 0.937 121.494 120.400 0.262 0.000 2.137 353 D HA 0.336 4.976 4.640 0.001 0.000 0.202 353 D C 0.948 177.467 176.300 0.366 0.000 0.970 353 D CA 2.105 56.295 54.000 0.318 0.000 0.837 353 D CB 0.166 41.222 40.800 0.428 0.000 0.981 353 D HN 1.113 nan 8.370 nan 0.000 0.475 354 G N -0.991 108.023 108.800 0.357 0.000 2.732 354 G HA2 0.618 4.578 3.960 0.001 0.000 0.296 354 G HA3 0.618 4.578 3.960 0.001 0.000 0.296 354 G C -1.612 173.303 174.900 0.026 0.000 1.448 354 G CA -0.086 45.173 45.100 0.264 0.000 0.911 354 G HN 0.210 nan 8.290 nan 0.000 0.528 355 A N 1.189 124.024 122.820 0.024 0.000 2.386 355 A HA 0.913 5.233 4.320 0.001 0.000 0.308 355 A C -1.214 176.332 177.584 -0.064 0.000 1.128 355 A CA -0.847 51.142 52.037 -0.079 0.000 0.789 355 A CB 2.067 21.042 19.000 -0.042 0.000 1.325 355 A HN 1.327 nan 8.150 nan 0.000 0.437 356 L N 1.917 123.086 121.223 -0.089 0.000 2.438 356 L HA 0.684 5.025 4.340 0.001 0.000 0.270 356 L C -1.681 175.232 176.870 0.072 0.000 0.972 356 L CA -0.498 54.375 54.840 0.055 0.000 0.831 356 L CB 1.319 43.429 42.059 0.085 0.000 1.273 356 L HN 0.627 nan 8.230 nan 0.000 0.405 357 V N 7.486 127.480 119.914 0.134 0.000 2.555 357 V HA 0.660 4.781 4.120 0.001 0.000 0.302 357 V C -0.478 175.829 176.094 0.355 0.000 1.038 357 V CA -0.522 61.891 62.300 0.189 0.000 0.887 357 V CB 1.989 33.868 31.823 0.093 0.000 0.991 357 V HN 0.872 nan 8.190 nan 0.000 0.434 358 M N 8.108 127.949 119.600 0.402 0.000 2.206 358 M HA 0.614 5.094 4.480 0.001 0.000 0.272 358 M C -2.696 173.868 176.300 0.440 0.000 1.012 358 M CA -0.538 55.025 55.300 0.437 0.000 0.986 358 M CB 1.653 34.458 32.600 0.341 0.000 1.740 358 M HN 0.639 nan 8.290 nan 0.000 0.472 359 L N 5.232 126.722 121.223 0.446 0.000 2.371 359 L HA 0.988 5.328 4.340 0.001 0.000 0.262 359 L C 0.567 177.615 176.870 0.296 0.000 1.006 359 L CA 1.269 56.290 54.840 0.301 0.000 0.818 359 L CB 2.066 44.228 42.059 0.172 0.000 1.354 359 L HN 0.995 nan 8.230 nan 0.000 0.415 360 G N 3.176 112.090 108.800 0.189 0.000 2.646 360 G HA2 -0.333 3.627 3.960 0.001 0.000 0.324 360 G HA3 -0.333 3.627 3.960 0.001 0.000 0.324 360 G C 0.652 175.642 174.900 0.150 0.000 1.195 360 G CA 0.590 45.785 45.100 0.158 0.000 0.976 360 G HN 1.626 nan 8.290 nan 0.000 0.546 361 G N -0.214 108.669 108.800 0.139 0.000 2.944 361 G HA2 0.444 4.404 3.960 0.001 0.000 0.223 361 G HA3 0.444 4.404 3.960 0.001 0.000 0.223 361 G C 0.864 175.821 174.900 0.095 0.000 1.071 361 G CA 0.721 45.881 45.100 0.100 0.000 0.806 361 G HN 0.672 nan 8.290 nan 0.000 0.538 362 R N 0.116 120.690 120.500 0.123 0.000 2.637 362 R HA 0.563 4.904 4.340 0.001 0.000 0.269 362 R C -0.715 175.648 176.300 0.105 0.000 1.089 362 R CA 0.347 56.469 56.100 0.037 0.000 1.177 362 R CB 0.643 30.853 30.300 -0.150 0.000 1.091 362 R HN 0.005 nan 8.270 nan 0.000 0.540 363 T N 1.628 116.190 114.554 0.014 0.000 2.991 363 T HA 0.297 4.647 4.350 0.001 0.000 0.303 363 T C -1.023 173.698 174.700 0.036 0.000 1.015 363 T CA -0.607 61.545 62.100 0.086 0.000 1.007 363 T CB 0.947 69.847 68.868 0.053 0.000 1.034 363 T HN 0.229 nan 8.240 nan 0.000 0.446 364 L N 4.082 125.391 121.223 0.144 0.000 2.337 364 L HA 0.422 4.763 4.340 0.001 0.000 0.269 364 L C 0.358 177.324 176.870 0.160 0.000 1.018 364 L CA -0.614 54.301 54.840 0.126 0.000 0.876 364 L CB 1.019 43.206 42.059 0.212 0.000 1.236 364 L HN 0.755 nan 8.230 nan 0.000 0.436 365 S N 4.767 120.559 115.700 0.153 0.000 2.416 365 S HA 0.472 4.943 4.470 0.001 0.000 0.287 365 S C -0.187 174.571 174.600 0.264 0.000 1.139 365 S CA -0.698 57.654 58.200 0.254 0.000 1.058 365 S CB 0.303 63.671 63.200 0.280 0.000 0.967 365 S HN 0.440 nan 8.310 nan 0.000 0.495 366 I N 3.694 124.432 120.570 0.280 0.000 2.325 366 I HA 0.409 4.579 4.170 0.001 0.000 0.291 366 I C 1.022 177.357 176.117 0.363 0.000 1.019 366 I CA -0.690 60.758 61.300 0.246 0.000 1.302 366 I CB 0.358 38.470 38.000 0.187 0.000 1.401 366 I HN 0.846 nan 8.210 nan 0.000 0.485 367 R N 3.318 123.988 120.500 0.284 0.000 3.773 367 R HA -0.103 4.238 4.340 0.001 0.000 0.382 367 R C 0.247 176.676 176.300 0.215 0.000 1.115 367 R CA 0.392 56.664 56.100 0.287 0.000 0.949 367 R CB -1.695 28.826 30.300 0.368 0.000 1.576 367 R HN 1.128 nan 8.270 nan 0.000 0.515 368 G N -0.270 108.581 108.800 0.085 0.000 2.346 368 G HA2 -0.049 3.912 3.960 0.001 0.000 0.294 368 G HA3 -0.049 3.912 3.960 0.001 0.000 0.294 368 G C -1.748 172.935 174.900 -0.361 0.000 1.294 368 G CA -0.605 44.367 45.100 -0.212 0.000 0.962 368 G HN 0.017 nan 8.290 nan 0.000 0.508 369 D N 0.567 120.705 120.400 -0.437 0.000 2.367 369 D HA 0.345 4.986 4.640 0.001 0.000 0.255 369 D C 0.159 176.129 176.300 -0.550 0.000 1.300 369 D CA 0.448 54.239 54.000 -0.348 0.000 0.959 369 D CB -0.072 40.585 40.800 -0.239 0.000 1.064 369 D HN 0.263 nan 8.370 nan 0.000 0.509 370 F N 1.097 120.969 119.950 -0.131 0.000 2.698 370 F HA 0.093 4.621 4.527 0.001 0.000 0.304 370 F C 1.847 177.516 175.800 -0.218 0.000 1.108 370 F CA -0.464 57.383 58.000 -0.255 0.000 1.263 370 F CB 0.755 39.617 39.000 -0.230 0.000 1.013 370 F HN 0.197 nan 8.300 nan 0.000 0.532 371 E N 1.237 121.414 120.200 -0.037 0.000 2.001 371 E HA -0.141 4.210 4.350 0.001 0.000 0.193 371 E C 2.197 178.751 176.600 -0.076 0.000 0.994 371 E CA 1.596 57.963 56.400 -0.056 0.000 0.815 371 E CB 0.085 29.755 29.700 -0.051 0.000 0.770 371 E HN 0.215 nan 8.360 nan 0.000 0.453 372 R N 0.066 120.525 120.500 -0.067 0.000 2.113 372 R HA -0.215 4.125 4.340 0.001 0.000 0.244 372 R C 2.550 178.811 176.300 -0.066 0.000 1.142 372 R CA 1.710 57.779 56.100 -0.053 0.000 0.953 372 R CB -0.399 29.890 30.300 -0.017 0.000 0.860 372 R HN 0.308 nan 8.270 nan 0.000 0.438 373 Q N 0.031 119.793 119.800 -0.063 0.000 2.061 373 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 373 Q C 2.178 178.141 176.000 -0.063 0.000 0.984 373 Q CA 1.991 57.763 55.803 -0.052 0.000 0.846 373 Q CB -0.260 28.366 28.738 -0.186 0.000 0.902 373 Q HN 0.401 nan 8.270 nan 0.000 0.421 374 A N 0.035 122.758 122.820 -0.161 0.000 1.968 374 A HA -0.002 4.319 4.320 0.001 0.000 0.217 374 A C 2.246 179.702 177.584 -0.214 0.000 1.169 374 A CA 1.500 53.327 52.037 -0.351 0.000 0.638 374 A CB -0.714 17.929 19.000 -0.595 0.000 0.812 374 A HN 0.453 nan 8.150 nan 0.000 0.446 375 G N -0.000 108.705 108.800 -0.159 0.000 2.404 375 G HA2 -0.260 3.701 3.960 0.001 0.000 0.215 375 G HA3 -0.260 3.701 3.960 0.001 0.000 0.215 375 G C 1.517 176.327 174.900 -0.150 0.000 1.174 375 G CA 1.010 46.029 45.100 -0.135 0.000 0.780 375 G HN 0.510 nan 8.290 nan 0.000 0.537 376 N N 0.246 118.842 118.700 -0.173 0.000 2.396 376 N HA -0.053 4.687 4.740 0.001 0.000 0.180 376 N C 2.177 177.539 175.510 -0.247 0.000 1.028 376 N CA 0.713 53.618 53.050 -0.242 0.000 0.893 376 N CB 0.085 38.349 38.487 -0.371 0.000 0.967 376 N HN 0.191 nan 8.380 nan 0.000 0.440 377 V N 0.653 120.465 119.914 -0.169 0.000 2.446 377 V HA -0.014 4.107 4.120 0.001 0.000 0.244 377 V C 2.195 178.165 176.094 -0.208 0.000 1.039 377 V CA 0.761 62.990 62.300 -0.119 0.000 1.045 377 V CB -0.198 31.715 31.823 0.151 0.000 0.681 377 V HN 0.229 nan 8.190 nan 0.000 0.459 378 L N -0.107 120.993 121.223 -0.205 0.000 2.552 378 L HA -0.076 4.264 4.340 0.001 0.000 0.227 378 L C 2.322 179.064 176.870 -0.213 0.000 1.146 378 L CA 0.664 55.333 54.840 -0.286 0.000 0.858 378 L CB -0.149 41.739 42.059 -0.286 0.000 0.969 378 L HN 0.370 nan 8.230 nan 0.000 0.451 379 Q N 0.116 119.804 119.800 -0.186 0.000 2.259 379 Q HA -0.083 4.257 4.340 0.001 0.000 0.201 379 Q C 2.129 178.033 176.000 -0.160 0.000 0.938 379 Q CA 0.980 56.692 55.803 -0.151 0.000 0.872 379 Q CB 0.162 28.817 28.738 -0.139 0.000 0.971 379 Q HN 0.185 nan 8.270 nan 0.000 0.494 380 R N -0.727 119.651 120.500 -0.203 0.000 2.307 380 R HA 0.158 4.499 4.340 0.001 0.000 0.199 380 R C 0.628 176.780 176.300 -0.246 0.000 1.000 380 R CA 0.338 56.309 56.100 -0.214 0.000 1.023 380 R CB 0.154 30.305 30.300 -0.248 0.000 0.908 380 R HN 0.251 nan 8.270 nan 0.000 0.473 381 L N 0.445 121.516 121.223 -0.254 0.000 2.769 381 L HA 0.148 4.489 4.340 0.001 0.000 0.240 381 L C 1.020 177.815 176.870 -0.126 0.000 1.163 381 L CA -0.110 54.591 54.840 -0.231 0.000 0.962 381 L CB 0.527 42.391 42.059 -0.325 0.000 1.258 381 L HN 0.152 nan 8.230 nan 0.000 0.513 382 Q N -0.075 119.658 119.800 -0.111 0.000 2.424 382 Q HA 0.042 4.382 4.340 0.001 0.000 0.204 382 Q C 1.819 177.787 176.000 -0.052 0.000 0.933 382 Q CA 0.548 56.311 55.803 -0.066 0.000 0.929 382 Q CB 0.387 29.086 28.738 -0.065 0.000 1.037 382 Q HN 0.499 nan 8.270 nan 0.000 0.511 383 R N 0.250 120.710 120.500 -0.067 0.000 2.100 383 R HA 0.054 4.394 4.340 0.001 0.000 0.220 383 R C 0.381 176.659 176.300 -0.038 0.000 1.091 383 R CA 0.619 56.689 56.100 -0.051 0.000 0.986 383 R CB 0.345 30.609 30.300 -0.061 0.000 0.888 383 R HN 0.041 nan 8.270 nan 0.000 0.444 384 D N 1.018 121.392 120.400 -0.044 0.000 2.485 384 D HA 0.149 4.789 4.640 0.001 0.000 0.229 384 D C -2.017 174.291 176.300 0.012 0.000 1.101 384 D CA -1.472 52.518 54.000 -0.016 0.000 0.906 384 D CB 1.760 42.549 40.800 -0.018 0.000 1.019 384 D HN 0.008 nan 8.370 nan 0.000 0.516 385 P HA 0.117 nan 4.420 nan 0.000 0.255 385 P C 0.624 177.946 177.300 0.036 0.000 1.248 385 P CA 0.321 63.443 63.100 0.036 0.000 0.807 385 P CB 0.635 32.344 31.700 0.015 0.000 1.150 386 E N -0.780 119.438 120.200 0.030 0.000 2.431 386 E HA 0.079 4.429 4.350 0.001 0.000 0.200 386 E C 0.835 177.453 176.600 0.030 0.000 0.995 386 E CA -0.199 56.212 56.400 0.019 0.000 0.915 386 E CB 0.260 29.967 29.700 0.011 0.000 0.930 386 E HN 0.177 nan 8.360 nan 0.000 0.496 387 R N 1.530 122.068 120.500 0.063 0.000 2.389 387 R HA 0.022 4.362 4.340 0.001 0.000 0.295 387 R C -0.281 176.082 176.300 0.105 0.000 1.075 387 R CA 0.109 56.262 56.100 0.089 0.000 1.005 387 R CB 0.543 30.910 30.300 0.113 0.000 0.987 387 R HN -0.058 nan 8.270 nan 0.000 0.452 388 D N 2.643 123.069 120.400 0.043 0.000 2.423 388 D HA 0.186 4.826 4.640 0.001 0.000 0.208 388 D C -0.128 176.156 176.300 -0.026 0.000 1.068 388 D CA 0.539 54.499 54.000 -0.067 0.000 0.860 388 D CB 0.603 41.348 40.800 -0.092 0.000 0.992 388 D HN 0.359 nan 8.370 nan 0.000 0.504 389 I N 0.234 120.857 120.570 0.088 0.000 2.582 389 I HA 0.333 4.504 4.170 0.001 0.000 0.292 389 I C -1.574 174.688 176.117 0.240 0.000 1.066 389 I CA -1.224 60.147 61.300 0.117 0.000 1.053 389 I CB 2.432 40.457 38.000 0.042 0.000 1.241 389 I HN -0.224 nan 8.210 nan 0.000 0.421 390 Y N 6.977 127.321 120.300 0.073 0.000 2.396 390 Y HA 0.530 5.080 4.550 0.001 0.000 0.332 390 Y C -1.178 174.718 175.900 -0.007 0.000 1.034 390 Y CA -0.561 57.562 58.100 0.038 0.000 1.057 390 Y CB 1.085 39.547 38.460 0.002 0.000 1.220 390 Y HN 0.611 nan 8.280 nan 0.000 0.440 391 H N 2.947 121.505 119.070 -0.853 0.000 2.961 391 H HA 0.826 5.382 4.556 0.001 0.000 0.371 391 H C -1.599 173.341 175.328 -0.647 0.000 1.190 391 H CA -0.721 54.841 56.048 -0.810 0.000 1.138 391 H CB 2.339 31.688 29.762 -0.688 0.000 1.816 391 H HN 0.735 nan 8.280 nan 0.000 0.551 392 T N 0.219 114.619 114.554 -0.257 0.000 2.652 392 T HA 0.211 4.561 4.350 0.001 0.000 0.303 392 T C -1.495 173.392 174.700 0.312 0.000 1.738 392 T CA -0.027 62.053 62.100 -0.034 0.000 0.969 392 T CB 0.780 69.569 68.868 -0.132 0.000 1.778 392 T HN 0.861 nan 8.240 nan 0.000 0.494 393 D N 0.299 120.827 120.400 0.213 0.000 2.740 393 D HA 0.360 5.000 4.640 0.001 0.000 0.301 393 D C -0.265 176.088 176.300 0.088 0.000 1.408 393 D CA -0.399 53.712 54.000 0.187 0.000 0.808 393 D CB -0.138 40.753 40.800 0.152 0.000 1.128 393 D HN 0.402 nan 8.370 nan 0.000 0.465 394 N N 0.875 119.652 118.700 0.128 0.000 2.242 394 N HA 0.610 5.351 4.740 0.001 0.000 0.292 394 N C -1.568 174.117 175.510 0.291 0.000 1.125 394 N CA -0.959 52.145 53.050 0.090 0.000 0.783 394 N CB 2.284 40.792 38.487 0.035 0.000 1.558 394 N HN 0.268 nan 8.380 nan 0.000 0.472 408 C N 2.938 122.214 119.300 -0.039 0.000 2.265 408 C HA 0.426 4.886 4.460 0.001 0.000 0.332 408 C C 2.158 177.258 174.990 0.182 0.000 1.248 408 C CA -0.893 58.077 59.018 -0.080 0.000 1.727 408 C CB -0.535 27.203 27.740 -0.003 0.000 2.348 408 C HN 0.699 nan 8.230 nan 0.000 0.519 409 C N 1.077 120.426 119.300 0.081 0.000 2.546 409 C HA 0.392 4.853 4.460 0.001 0.000 0.275 409 C C 1.092 176.236 174.990 0.258 0.000 1.393 409 C CA -0.195 58.910 59.018 0.145 0.000 1.703 409 C CB -1.748 25.988 27.740 -0.005 0.000 1.710 409 C HN 0.975 nan 8.230 nan 0.000 0.581 410 G N 0.591 109.586 108.800 0.324 0.000 2.605 410 G HA2 0.590 4.551 3.960 0.001 0.000 0.304 410 G HA3 0.590 4.551 3.960 0.001 0.000 0.304 410 G C -1.077 174.238 174.900 0.690 0.000 1.333 410 G CA -0.105 45.248 45.100 0.421 0.000 0.973 410 G HN 0.339 nan 8.290 nan 0.000 0.507 411 V N 3.413 123.709 119.914 0.637 0.000 2.531 411 V HA 0.529 4.649 4.120 0.001 0.000 0.301 411 V C -0.244 175.792 176.094 -0.097 0.000 1.034 411 V CA -0.914 61.598 62.300 0.353 0.000 0.865 411 V CB 1.917 33.969 31.823 0.380 0.000 0.995 411 V HN 0.661 nan 8.190 nan 0.000 0.424 412 L N 4.138 125.123 121.223 -0.397 0.000 2.325 412 L HA 0.896 5.236 4.340 0.001 0.000 0.281 412 L C -0.182 176.470 176.870 -0.364 0.000 1.004 412 L CA -0.441 54.033 54.840 -0.610 0.000 0.823 412 L CB 1.670 43.100 42.059 -1.048 0.000 1.236 412 L HN 0.864 nan 8.230 nan 0.000 0.415 413 A N 6.566 129.192 122.820 -0.324 0.000 2.343 413 A HA 0.723 5.044 4.320 0.001 0.000 0.308 413 A C -0.891 176.670 177.584 -0.039 0.000 1.092 413 A CA -0.549 51.195 52.037 -0.489 0.000 0.751 413 A CB 1.239 19.794 19.000 -0.743 0.000 1.203 413 A HN 0.703 nan 8.150 nan 0.000 0.452 414 I N -0.307 120.241 120.570 -0.037 0.000 2.465 414 I HA 0.730 4.900 4.170 0.001 0.000 0.291 414 I C -0.239 175.733 176.117 -0.242 0.000 1.014 414 I CA -0.818 60.459 61.300 -0.040 0.000 1.093 414 I CB 1.821 39.813 38.000 -0.013 0.000 1.267 414 I HN 0.683 nan 8.210 nan 0.000 0.431 415 R N 4.993 125.020 120.500 -0.789 0.000 2.265 415 R HA 0.418 4.758 4.340 0.001 0.000 0.319 415 R C -0.427 175.618 176.300 -0.424 0.000 1.006 415 R CA -0.474 54.891 56.100 -1.226 0.000 0.880 415 R CB 0.848 29.903 30.300 -2.075 0.000 1.077 415 R HN 0.842 nan 8.270 nan 0.000 0.454 416 F N 0.985 120.675 119.950 -0.434 0.000 2.727 416 F HA 0.367 4.895 4.527 0.001 0.000 0.302 416 F C -0.281 175.465 175.800 -0.089 0.000 1.107 416 F CA -0.542 57.333 58.000 -0.209 0.000 1.277 416 F CB 0.096 39.013 39.000 -0.139 0.000 1.079 416 F HN 0.493 nan 8.300 nan 0.000 0.594 417 H N 0.344 118.924 119.070 -0.817 0.000 3.181 417 H HA 0.512 5.069 4.556 0.001 0.000 0.331 417 H C 0.523 175.577 175.328 -0.455 0.000 0.988 417 H CA -1.070 54.628 56.048 -0.583 0.000 1.449 417 H CB 1.178 30.533 29.762 -0.679 0.000 1.749 417 H HN -0.028 nan 8.280 nan 0.000 0.501 418 R N 1.976 122.124 120.500 -0.587 0.000 2.073 418 R HA -0.054 4.287 4.340 0.001 0.000 0.229 418 R C 1.807 177.892 176.300 -0.359 0.000 1.120 418 R CA 1.500 57.362 56.100 -0.397 0.000 0.967 418 R CB 0.153 30.292 30.300 -0.268 0.000 0.862 418 R HN 0.656 nan 8.270 nan 0.000 0.436 419 Q N 0.655 120.139 119.800 -0.527 0.000 2.002 419 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 419 Q C 1.290 177.190 176.000 -0.166 0.000 0.988 419 Q CA 1.630 57.252 55.803 -0.302 0.000 0.843 419 Q CB 0.035 28.607 28.738 -0.277 0.000 0.908 419 Q HN 0.407 nan 8.270 nan 0.000 0.420 420 E N 0.662 120.777 120.200 -0.142 0.000 2.445 420 E HA 0.001 4.352 4.350 0.001 0.000 0.189 420 E C -0.171 176.443 176.600 0.024 0.000 1.069 420 E CA 0.371 56.788 56.400 0.028 0.000 0.871 420 E CB 0.163 29.955 29.700 0.155 0.000 0.991 420 E HN 0.326 nan 8.360 nan 0.000 0.481 421 S N -0.631 115.039 115.700 -0.051 0.000 3.550 421 S HA -0.181 4.290 4.470 0.001 0.000 0.372 421 S C 0.370 175.051 174.600 0.135 0.000 0.966 421 S CA 0.118 58.362 58.200 0.073 0.000 1.229 421 S CB -2.326 61.009 63.200 0.224 0.000 0.917 421 S HN 0.395 nan 8.310 nan 0.000 0.496 422 G N 0.285 108.942 108.800 -0.238 0.000 2.380 422 G HA2 0.473 4.434 3.960 0.001 0.000 0.262 422 G HA3 0.473 4.434 3.960 0.001 0.000 0.262 422 G C -0.360 174.463 174.900 -0.128 0.000 1.243 422 G CA -0.702 44.209 45.100 -0.315 0.000 0.865 422 G HN 0.584 nan 8.290 nan 0.000 0.513 423 W N 0.665 122.219 121.300 0.424 0.000 3.031 423 W HA 0.654 5.315 4.660 0.001 0.000 0.337 423 W C -0.318 176.404 176.519 0.339 0.000 1.187 423 W CA -0.715 56.870 57.345 0.400 0.000 1.166 423 W CB 1.850 31.525 29.460 0.359 0.000 1.437 423 W HN 0.259 nan 8.180 nan 0.000 0.551 424 I N 1.915 122.650 120.570 0.275 0.000 2.689 424 I HA 0.522 4.693 4.170 0.001 0.000 0.299 424 I C -1.242 174.626 176.117 -0.415 0.000 1.059 424 I CA -1.042 60.209 61.300 -0.080 0.000 1.055 424 I CB 1.718 39.501 38.000 -0.362 0.000 1.243 424 I HN 0.126 nan 8.210 nan 0.000 0.425 425 F N 2.767 122.261 119.950 -0.759 0.000 2.576 425 F HA 0.535 5.063 4.527 0.001 0.000 0.313 425 F C -1.198 173.807 175.800 -1.325 0.000 1.078 425 F CA -0.714 56.729 58.000 -0.928 0.000 0.921 425 F CB 1.843 40.426 39.000 -0.695 0.000 1.232 425 F HN 0.283 nan 8.300 nan 0.000 0.459 426 W N 2.663 123.685 121.300 -0.464 0.000 2.839 426 W HA 0.723 5.384 4.660 0.001 0.000 0.334 426 W C -1.583 174.793 176.519 -0.239 0.000 1.064 426 W CA -0.853 56.349 57.345 -0.237 0.000 1.236 426 W CB 1.052 30.541 29.460 0.049 0.000 1.405 426 W HN 0.170 nan 8.180 nan 0.000 0.478 427 F N 1.587 121.757 119.950 0.367 0.000 2.575 427 F HA 0.785 5.312 4.527 0.001 0.000 0.330 427 F C 0.409 176.353 175.800 0.240 0.000 1.056 427 F CA -1.451 56.719 58.000 0.285 0.000 0.964 427 F CB 1.916 40.935 39.000 0.032 0.000 1.258 427 F HN 0.064 nan 8.300 nan 0.000 0.484 428 R N 0.200 120.918 120.500 0.364 0.000 2.508 428 R HA 0.270 4.611 4.340 0.001 0.000 0.283 428 R C -1.468 174.893 176.300 0.101 0.000 1.120 428 R CA -0.960 55.234 56.100 0.156 0.000 0.958 428 R CB 1.652 31.909 30.300 -0.071 0.000 1.215 428 R HN 0.714 nan 8.270 nan 0.000 0.427 429 H N 0.818 119.976 119.070 0.147 0.000 2.660 429 H HA 0.017 4.573 4.556 0.001 0.000 0.374 429 H C 0.341 175.701 175.328 0.053 0.000 1.291 429 H CA 0.272 56.379 56.048 0.099 0.000 1.437 429 H CB 0.688 30.503 29.762 0.088 0.000 1.509 429 H HN 0.426 nan 8.280 nan 0.000 0.614 430 E N 1.365 121.669 120.200 0.175 0.000 2.458 430 E HA -0.123 4.227 4.350 0.001 0.000 0.264 430 E C -0.302 176.348 176.600 0.083 0.000 1.097 430 E CA -0.468 55.984 56.400 0.087 0.000 0.973 430 E CB 0.519 30.250 29.700 0.052 0.000 0.963 430 E HN 0.494 nan 8.360 nan 0.000 0.451 431 E N 1.130 121.357 120.200 0.045 0.000 2.708 431 E HA -0.042 4.309 4.350 0.001 0.000 0.260 431 E C -0.764 175.903 176.600 0.111 0.000 0.937 431 E CA 0.414 56.852 56.400 0.062 0.000 0.953 431 E CB 0.702 30.402 29.700 0.000 0.000 0.915 431 E HN 0.204 nan 8.360 nan 0.000 0.487 432 V N 4.218 124.221 119.914 0.147 0.000 2.357 432 V HA 0.030 4.151 4.120 0.001 0.000 0.284 432 V C 0.077 176.320 176.094 0.248 0.000 1.018 432 V CA -0.816 61.587 62.300 0.171 0.000 0.841 432 V CB 0.956 32.846 31.823 0.112 0.000 0.991 432 V HN 0.569 nan 8.190 nan 0.000 0.437 433 H N 4.410 123.614 119.070 0.224 0.000 3.091 433 H HA 0.110 4.667 4.556 0.001 0.000 0.289 433 H C 1.192 176.624 175.328 0.173 0.000 0.995 433 H CA 0.718 56.924 56.048 0.262 0.000 1.461 433 H CB 0.430 30.425 29.762 0.388 0.000 1.510 433 H HN 0.642 nan 8.280 nan 0.000 0.546 434 R N 4.679 125.077 120.500 -0.169 0.000 2.061 434 R HA 0.008 4.348 4.340 0.001 0.000 0.230 434 R C 0.252 176.406 176.300 -0.243 0.000 1.140 434 R CA 1.579 57.587 56.100 -0.153 0.000 0.940 434 R CB 0.119 30.372 30.300 -0.079 0.000 0.839 434 R HN 0.728 nan 8.270 nan 0.000 0.429 435 I N 0.645 120.979 120.570 -0.393 0.000 2.388 435 I HA 0.393 4.564 4.170 0.001 0.000 0.281 435 I C -0.584 175.398 176.117 -0.224 0.000 1.046 435 I CA -0.868 60.315 61.300 -0.195 0.000 1.187 435 I CB 1.314 39.318 38.000 0.007 0.000 1.351 435 I HN -0.008 nan 8.210 nan 0.000 0.472 436 R N 6.706 127.153 120.500 -0.087 0.000 2.242 436 R HA 0.137 4.477 4.340 0.001 0.000 0.334 436 R C -1.235 175.175 176.300 0.182 0.000 1.071 436 R CA -0.328 55.905 56.100 0.221 0.000 0.922 436 R CB 0.722 31.163 30.300 0.235 0.000 1.023 436 R HN 0.788 nan 8.270 nan 0.000 0.458 437 W N 5.608 126.944 121.300 0.061 0.000 2.332 437 W HA 0.443 5.103 4.660 0.001 0.000 0.306 437 W C -0.759 175.731 176.519 -0.049 0.000 1.149 437 W CA -0.115 57.227 57.345 -0.004 0.000 1.271 437 W CB 1.405 30.869 29.460 0.007 0.000 1.243 437 W HN 0.752 nan 8.180 nan 0.000 0.459 443 K N 3.887 124.295 120.400 0.013 0.000 2.541 443 K HA 0.641 4.961 4.320 0.001 0.000 0.250 443 K C -1.756 174.852 176.600 0.013 0.000 0.950 443 K CA -0.658 55.635 56.287 0.009 0.000 0.805 443 K CB 0.825 33.328 32.500 0.005 0.000 1.166 443 K HN 0.426 nan 8.250 nan 0.000 0.430 444 L N 2.484 123.713 121.223 0.011 0.000 2.370 444 L HA 0.723 5.063 4.340 0.001 0.000 0.266 444 L C -1.012 175.866 176.870 0.012 0.000 1.002 444 L CA -0.815 54.032 54.840 0.013 0.000 0.818 444 L CB 1.317 43.382 42.059 0.009 0.000 1.325 444 L HN 0.500 nan 8.230 nan 0.000 0.418 445 L N 0.006 121.237 121.223 0.014 0.000 2.250 445 L HA 0.628 4.968 4.340 0.001 0.000 0.252 445 L C 0.361 177.235 176.870 0.007 0.000 1.054 445 L CA -0.879 53.969 54.840 0.013 0.000 0.856 445 L CB 2.630 44.702 42.059 0.022 0.000 1.443 445 L HN 0.942 nan 8.230 nan 0.000 0.427 446 T N 0.971 115.529 114.554 0.006 0.000 2.939 446 T HA 0.232 4.583 4.350 0.001 0.000 0.319 446 T C -0.400 174.295 174.700 -0.007 0.000 1.082 446 T CA 0.129 62.229 62.100 0.000 0.000 1.133 446 T CB -0.147 68.722 68.868 0.002 0.000 1.019 446 T HN 0.307 nan 8.240 nan 0.000 0.548 447 I N 3.505 124.067 120.570 -0.013 0.000 2.433 447 I HA 0.483 4.653 4.170 0.001 0.000 0.292 447 I C 1.372 177.476 176.117 -0.022 0.000 1.001 447 I CA -1.375 59.910 61.300 -0.025 0.000 1.119 447 I CB 1.599 39.583 38.000 -0.027 0.000 1.289 447 I HN 0.860 nan 8.210 nan 0.000 0.438 448 G N 5.264 114.046 108.800 -0.030 0.000 2.593 448 G HA2 0.154 4.114 3.960 0.001 0.000 0.279 448 G HA3 0.154 4.114 3.960 0.001 0.000 0.279 448 G C -1.777 173.114 174.900 -0.015 0.000 1.329 448 G CA -0.472 44.617 45.100 -0.019 0.000 1.036 448 G HN 0.464 nan 8.290 nan 0.000 0.555 449 P HA -0.016 nan 4.420 nan 0.000 0.219 449 P C 2.306 179.603 177.300 -0.005 0.000 1.154 449 P CA 1.650 64.747 63.100 -0.004 0.000 0.826 449 P CB 0.035 31.736 31.700 0.001 0.000 0.795 450 S N -1.162 114.534 115.700 -0.006 0.000 2.354 450 S HA 0.127 4.598 4.470 0.001 0.000 0.219 450 S C 1.244 175.837 174.600 -0.011 0.000 1.035 450 S CA 1.272 59.470 58.200 -0.004 0.000 1.037 450 S CB -1.324 61.876 63.200 -0.001 0.000 0.956 450 S HN 0.337 nan 8.310 nan 0.000 0.428 451 G N 0.113 108.897 108.800 -0.025 0.000 2.336 451 G HA2 0.414 4.374 3.960 0.001 0.000 0.286 451 G HA3 0.414 4.374 3.960 0.001 0.000 0.286 451 G C -2.917 171.953 174.900 -0.051 0.000 1.269 451 G CA -0.185 44.898 45.100 -0.028 0.000 0.873 451 G HN 0.137 nan 8.290 nan 0.000 0.494 452 P HA 0.141 nan 4.420 nan 0.000 0.240 452 P C 1.547 178.801 177.300 -0.078 0.000 1.190 452 P CA 0.272 63.337 63.100 -0.057 0.000 0.781 452 P CB 0.295 31.980 31.700 -0.025 0.000 0.931 453 R N 0.373 120.837 120.500 -0.059 0.000 2.200 453 R HA -0.080 4.261 4.340 0.001 0.000 0.234 453 R C 1.420 177.644 176.300 -0.127 0.000 1.127 453 R CA 1.246 57.319 56.100 -0.046 0.000 0.989 453 R CB -1.548 28.746 30.300 -0.009 0.000 0.869 453 R HN 0.113 nan 8.270 nan 0.000 0.459 454 L N 0.134 121.199 121.223 -0.262 0.000 2.558 454 L HA 0.138 4.478 4.340 0.001 0.000 0.225 454 L C 0.572 176.728 176.870 -1.190 0.000 1.128 454 L CA 0.813 55.255 54.840 -0.663 0.000 0.868 454 L CB -0.336 41.422 42.059 -0.502 0.000 1.006 454 L HN 0.180 nan 8.230 nan 0.000 0.454 455 T N -4.708 109.530 114.554 -0.525 0.000 2.918 455 T HA 0.292 4.643 4.350 0.001 0.000 0.283 455 T C -1.808 172.829 174.700 -0.104 0.000 1.001 455 T CA -1.871 60.028 62.100 -0.334 0.000 1.041 455 T CB 1.159 69.948 68.868 -0.133 0.000 1.028 455 T HN -0.204 nan 8.240 nan 0.000 0.511 456 P HA 0.040 nan 4.420 nan 0.000 0.225 456 P C 1.000 178.391 177.300 0.152 0.000 1.148 456 P CA 0.764 63.945 63.100 0.135 0.000 0.779 456 P CB 0.133 31.974 31.700 0.236 0.000 0.780 457 R N -1.820 118.744 120.500 0.106 0.000 2.432 457 R HA 0.275 4.616 4.340 0.001 0.000 0.260 457 R C 1.675 178.037 176.300 0.103 0.000 0.935 457 R CA 0.219 56.376 56.100 0.094 0.000 1.080 457 R CB 0.151 30.476 30.300 0.042 0.000 1.155 457 R HN 0.175 nan 8.270 nan 0.000 0.531 458 G N -1.108 107.740 108.800 0.080 0.000 2.850 458 G HA2 -0.046 3.914 3.960 0.001 0.000 0.211 458 G HA3 -0.046 3.914 3.960 0.001 0.000 0.211 458 G C 1.109 176.076 174.900 0.111 0.000 1.124 458 G CA -0.044 45.095 45.100 0.064 0.000 0.769 458 G HN 0.086 nan 8.290 nan 0.000 0.535 459 S N 0.216 116.006 115.700 0.151 0.000 2.388 459 S HA 0.070 4.541 4.470 0.001 0.000 0.223 459 S C 1.765 176.524 174.600 0.265 0.000 1.034 459 S CA 0.185 58.506 58.200 0.203 0.000 0.963 459 S CB -0.293 63.038 63.200 0.218 0.000 0.827 459 S HN 0.382 nan 8.310 nan 0.000 0.481 460 F N 2.789 122.812 119.950 0.122 0.000 2.095 460 F HA -0.170 4.358 4.527 0.001 0.000 0.298 460 F C 2.227 178.145 175.800 0.196 0.000 1.104 460 F CA 1.631 59.703 58.000 0.121 0.000 1.232 460 F CB -0.178 38.846 39.000 0.040 0.000 0.987 460 F HN 0.196 nan 8.300 nan 0.000 0.475 461 E N 0.333 120.821 120.200 0.480 0.000 2.085 461 E HA -0.241 4.110 4.350 0.001 0.000 0.194 461 E C 2.370 179.075 176.600 0.176 0.000 0.994 461 E CA 0.990 57.587 56.400 0.329 0.000 0.801 461 E CB -0.435 29.397 29.700 0.220 0.000 0.743 461 E HN 0.553 nan 8.360 nan 0.000 0.453 462 A N 0.896 123.812 122.820 0.160 0.000 1.902 462 A HA -0.193 4.127 4.320 0.001 0.000 0.217 462 A C 1.873 179.505 177.584 0.079 0.000 1.181 462 A CA 1.330 53.430 52.037 0.105 0.000 0.623 462 A CB -0.986 18.084 19.000 0.117 0.000 0.818 462 A HN 0.558 nan 8.150 nan 0.000 0.443 463 W N 0.667 121.905 121.300 -0.104 0.000 2.467 463 W HA -0.065 4.596 4.660 0.001 0.000 0.275 463 W C 1.710 178.082 176.519 -0.245 0.000 1.239 463 W CA 1.269 58.499 57.345 -0.191 0.000 1.266 463 W CB 0.053 29.354 29.460 -0.266 0.000 1.112 463 W HN 0.454 nan 8.180 nan 0.000 0.576 464 E N 0.141 120.261 120.200 -0.135 0.000 2.472 464 E HA -0.175 4.176 4.350 0.001 0.000 0.200 464 E C 1.253 177.678 176.600 -0.290 0.000 1.046 464 E CA 0.980 57.202 56.400 -0.296 0.000 0.871 464 E CB -0.017 29.696 29.700 0.022 0.000 0.806 464 E HN 0.473 nan 8.360 nan 0.000 0.533 465 E N -1.046 119.008 120.200 -0.243 0.000 2.539 465 E HA 0.023 4.373 4.350 0.001 0.000 0.215 465 E C 1.285 177.755 176.600 -0.217 0.000 0.965 465 E CA -0.013 56.286 56.400 -0.168 0.000 1.019 465 E CB 1.114 30.774 29.700 -0.067 0.000 1.059 465 E HN 0.102 nan 8.360 nan 0.000 0.496 466 V N 1.237 120.932 119.914 -0.364 0.000 3.129 466 V HA -0.088 4.032 4.120 0.001 0.000 0.259 466 V C 1.750 177.494 176.094 -0.584 0.000 1.116 466 V CA 1.241 63.301 62.300 -0.400 0.000 1.127 466 V CB 0.422 32.019 31.823 -0.377 0.000 0.742 466 V HN 0.234 nan 8.190 nan 0.000 0.474 467 V N -2.888 116.670 119.914 -0.594 0.000 3.337 467 V HA 0.407 4.527 4.120 0.001 0.000 0.307 467 V C 0.841 176.848 176.094 -0.145 0.000 1.505 467 V CA -0.428 61.597 62.300 -0.458 0.000 1.072 467 V CB -0.261 31.178 31.823 -0.640 0.000 0.929 467 V HN 0.312 nan 8.190 nan 0.000 0.455 468 R N 1.700 122.124 120.500 -0.126 0.000 2.435 468 R HA 0.455 4.795 4.340 0.001 0.000 0.325 468 R C 1.299 177.624 176.300 0.041 0.000 1.149 468 R CA 1.254 57.325 56.100 -0.048 0.000 0.995 468 R CB -0.390 29.875 30.300 -0.058 0.000 1.008 468 R HN 0.887 nan 8.270 nan 0.000 0.470 469 G N 2.677 111.485 108.800 0.013 0.000 2.231 469 G HA2 -0.211 3.750 3.960 0.001 0.000 0.206 469 G HA3 -0.211 3.750 3.960 0.001 0.000 0.206 469 G C -0.564 174.256 174.900 -0.133 0.000 0.996 469 G CA -0.308 44.749 45.100 -0.073 0.000 0.645 469 G HN 0.670 nan 8.290 nan 0.000 0.498 470 H N 1.537 120.567 119.070 -0.066 0.000 2.473 470 H HA 0.667 5.223 4.556 0.001 0.000 0.327 470 H C 0.826 176.130 175.328 -0.039 0.000 1.105 470 H CA 0.256 56.278 56.048 -0.043 0.000 1.280 470 H CB 1.520 31.242 29.762 -0.067 0.000 1.450 470 H HN 0.410 nan 8.280 nan 0.000 0.492 471 S N 1.357 117.101 115.700 0.074 0.000 2.681 471 S HA 0.278 4.749 4.470 0.001 0.000 0.270 471 S C -0.003 174.570 174.600 -0.045 0.000 1.209 471 S CA -1.042 57.161 58.200 0.005 0.000 0.988 471 S CB 0.758 63.942 63.200 -0.027 0.000 1.006 471 S HN 0.571 nan 8.310 nan 0.000 0.558 472 T N 3.542 118.024 114.554 -0.119 0.000 2.817 472 T HA 0.280 4.631 4.350 0.001 0.000 0.295 472 T C -2.415 172.125 174.700 -0.267 0.000 0.958 472 T CA -0.442 61.575 62.100 -0.138 0.000 1.157 472 T CB -0.180 68.612 68.868 -0.128 0.000 0.898 472 T HN 0.471 nan 8.240 nan 0.000 0.536 473 P HA -0.031 nan 4.420 nan 0.000 0.261 473 P C -0.539 176.671 177.300 -0.150 0.000 1.173 473 P CA -0.143 62.900 63.100 -0.096 0.000 0.760 473 P CB 0.244 31.941 31.700 -0.005 0.000 0.783 474 W N 2.649 123.943 121.300 -0.009 0.000 2.489 474 W HA 0.089 4.750 4.660 0.001 0.000 0.327 474 W C 0.669 177.125 176.519 -0.105 0.000 1.436 474 W CA 0.183 57.492 57.345 -0.060 0.000 1.315 474 W CB -0.462 28.955 29.460 -0.072 0.000 1.373 474 W HN 0.289 nan 8.180 nan 0.000 0.557 475 S N 2.185 117.929 115.700 0.075 0.000 2.561 475 S HA -0.166 4.305 4.470 0.001 0.000 0.294 475 S C 1.476 176.067 174.600 -0.014 0.000 1.294 475 S CA -0.238 57.964 58.200 0.004 0.000 1.055 475 S CB 0.744 63.938 63.200 -0.011 0.000 0.819 475 S HN 0.719 nan 8.310 nan 0.000 0.503 476 E N 1.963 122.137 120.200 -0.043 0.000 2.209 476 E HA -0.176 4.175 4.350 0.001 0.000 0.196 476 E C 1.128 177.690 176.600 -0.063 0.000 0.993 476 E CA 1.365 57.731 56.400 -0.058 0.000 0.819 476 E CB -0.062 29.610 29.700 -0.046 0.000 0.745 476 E HN 0.682 nan 8.360 nan 0.000 0.477 477 T N 0.377 114.900 114.554 -0.051 0.000 3.067 477 T HA -0.034 4.316 4.350 0.001 0.000 0.257 477 T C 0.722 175.375 174.700 -0.079 0.000 1.105 477 T CA 0.742 62.807 62.100 -0.059 0.000 1.104 477 T CB -0.047 68.794 68.868 -0.044 0.000 0.925 477 T HN 0.181 nan 8.240 nan 0.000 0.498 478 D N 1.360 121.721 120.400 -0.065 0.000 2.091 478 D HA 0.043 4.683 4.640 0.001 0.000 0.199 478 D C 2.043 178.241 176.300 -0.170 0.000 0.980 478 D CA 0.774 54.725 54.000 -0.082 0.000 0.831 478 D CB -0.203 40.638 40.800 0.069 0.000 0.987 478 D HN 0.273 nan 8.370 nan 0.000 0.460 479 L N 0.468 121.587 121.223 -0.173 0.000 1.994 479 L HA -0.114 4.227 4.340 0.001 0.000 0.208 479 L C 2.394 179.153 176.870 -0.184 0.000 1.071 479 L CA 1.176 55.867 54.840 -0.248 0.000 0.745 479 L CB -0.640 41.230 42.059 -0.315 0.000 0.892 479 L HN -0.009 nan 8.230 nan 0.000 0.431 480 A N -0.328 122.410 122.820 -0.138 0.000 2.194 480 A HA -0.147 4.174 4.320 0.001 0.000 0.220 480 A C 2.145 179.667 177.584 -0.103 0.000 1.162 480 A CA 1.500 53.474 52.037 -0.104 0.000 0.674 480 A CB -0.635 18.317 19.000 -0.079 0.000 0.789 480 A HN 0.455 nan 8.150 nan 0.000 0.470 481 I N -1.714 118.776 120.570 -0.133 0.000 2.729 481 I HA -0.014 4.156 4.170 0.001 0.000 0.256 481 I C 2.816 178.851 176.117 -0.136 0.000 1.115 481 I CA 0.721 61.941 61.300 -0.134 0.000 1.446 481 I CB -0.239 37.662 38.000 -0.165 0.000 1.176 481 I HN 0.269 nan 8.210 nan 0.000 0.446 482 A N 0.388 123.097 122.820 -0.185 0.000 1.902 482 A HA -0.226 4.095 4.320 0.001 0.000 0.217 482 A C 2.224 179.777 177.584 -0.053 0.000 1.181 482 A CA 1.510 53.491 52.037 -0.094 0.000 0.623 482 A CB -0.537 18.402 19.000 -0.101 0.000 0.818 482 A HN 0.329 nan 8.150 nan 0.000 0.443 483 E N 0.033 120.180 120.200 -0.088 0.000 2.187 483 E HA -0.200 4.151 4.350 0.001 0.000 0.199 483 E C 1.567 178.136 176.600 -0.052 0.000 1.004 483 E CA 1.284 57.642 56.400 -0.070 0.000 0.813 483 E CB -0.096 29.554 29.700 -0.083 0.000 0.736 483 E HN 0.590 nan 8.360 nan 0.000 0.468 484 K N -0.237 120.129 120.400 -0.056 0.000 2.361 484 K HA 0.114 4.435 4.320 0.001 0.000 0.194 484 K C 2.034 178.612 176.600 -0.038 0.000 1.032 484 K CA -0.189 56.071 56.287 -0.045 0.000 1.048 484 K CB 0.376 32.847 32.500 -0.048 0.000 0.842 484 K HN 0.156 nan 8.250 nan 0.000 0.526 485 L N 0.789 121.992 121.223 -0.033 0.000 2.131 485 L HA -0.076 4.265 4.340 0.001 0.000 0.206 485 L C 2.564 179.409 176.870 -0.041 0.000 1.087 485 L CA 0.877 55.701 54.840 -0.028 0.000 0.767 485 L CB -0.161 41.907 42.059 0.016 0.000 0.917 485 L HN 0.154 nan 8.230 nan 0.000 0.441 486 R N -0.072 120.412 120.500 -0.027 0.000 2.115 486 R HA -0.254 4.086 4.340 0.001 0.000 0.239 486 R C 2.169 178.470 176.300 0.001 0.000 1.133 486 R CA 1.912 58.005 56.100 -0.013 0.000 0.935 486 R CB -0.320 29.970 30.300 -0.016 0.000 0.853 486 R HN 0.219 nan 8.270 nan 0.000 0.433 487 L N 1.012 122.228 121.223 -0.011 0.000 2.265 487 L HA -0.153 4.187 4.340 0.001 0.000 0.215 487 L C 1.709 178.575 176.870 -0.006 0.000 1.117 487 L CA 1.648 56.485 54.840 -0.006 0.000 0.782 487 L CB -0.541 41.510 42.059 -0.015 0.000 0.914 487 L HN 0.201 nan 8.230 nan 0.000 0.441 488 D N -1.385 119.004 120.400 -0.019 0.000 2.249 488 D HA 0.002 4.642 4.640 0.001 0.000 0.205 488 D C 2.300 178.584 176.300 -0.027 0.000 0.962 488 D CA 0.676 54.660 54.000 -0.025 0.000 0.860 488 D CB 0.181 40.959 40.800 -0.037 0.000 0.955 488 D HN 0.228 nan 8.370 nan 0.000 0.505 489 L N -0.402 120.802 121.223 -0.031 0.000 2.209 489 L HA 0.041 4.382 4.340 0.001 0.000 0.207 489 L C 2.367 179.313 176.870 0.126 0.000 1.094 489 L CA 0.407 55.241 54.840 -0.010 0.000 0.790 489 L CB -0.178 41.755 42.059 -0.211 0.000 0.932 489 L HN 0.002 nan 8.230 nan 0.000 0.447 490 M N -0.160 119.510 119.600 0.117 0.000 2.059 490 M HA -0.229 4.252 4.480 0.001 0.000 0.259 490 M C 2.289 178.617 176.300 0.046 0.000 1.072 490 M CA 1.833 57.190 55.300 0.095 0.000 1.117 490 M CB -0.406 32.231 32.600 0.061 0.000 1.320 490 M HN 0.111 nan 8.290 nan 0.000 0.408 491 E N 0.904 121.119 120.200 0.026 0.000 2.219 491 E HA -0.216 4.135 4.350 0.001 0.000 0.198 491 E C 1.664 178.270 176.600 0.010 0.000 0.998 491 E CA 1.292 57.700 56.400 0.013 0.000 0.818 491 E CB -0.332 29.369 29.700 0.003 0.000 0.741 491 E HN 0.437 nan 8.360 nan 0.000 0.477 492 L N -0.786 120.442 121.223 0.009 0.000 2.084 492 L HA -0.010 4.331 4.340 0.001 0.000 0.202 492 L C 2.323 179.196 176.870 0.005 0.000 1.074 492 L CA 1.365 56.206 54.840 0.001 0.000 0.757 492 L CB -0.676 41.374 42.059 -0.016 0.000 0.918 492 L HN 0.243 nan 8.230 nan 0.000 0.444 493 C N -0.592 118.707 119.300 -0.002 0.000 2.413 493 C HA -0.140 4.320 4.460 0.001 0.000 0.277 493 C C 2.693 177.635 174.990 -0.080 0.000 1.265 493 C CA 0.710 59.686 59.018 -0.070 0.000 1.752 493 C CB -1.038 26.595 27.740 -0.178 0.000 1.998 493 C HN 0.584 nan 8.230 nan 0.000 0.489 494 L N 1.353 122.555 121.223 -0.036 0.000 2.043 494 L HA -0.184 4.157 4.340 0.001 0.000 0.212 494 L C 1.982 178.847 176.870 -0.007 0.000 1.075 494 L CA 1.990 56.821 54.840 -0.016 0.000 0.752 494 L CB -0.778 41.286 42.059 0.007 0.000 0.891 494 L HN 0.399 nan 8.230 nan 0.000 0.432 495 N N -2.499 116.216 118.700 0.024 0.000 2.124 495 N HA -0.039 4.701 4.740 0.001 0.000 0.188 495 N C 0.571 176.091 175.510 0.016 0.000 1.045 495 N CA 1.053 54.133 53.050 0.051 0.000 0.846 495 N CB -0.149 38.422 38.487 0.140 0.000 1.020 495 N HN 0.367 nan 8.380 nan 0.000 0.432 496 H N 0.000 119.051 119.070 -0.032 0.000 2.539 496 H HA 0.000 4.556 4.556 0.001 0.000 0.296 496 H CA 0.000 56.033 56.048 -0.026 0.000 1.023 496 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496