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 2wtz_1_C DATA FIRST_RESID 24 DATA SEQUENCE TGLRPNAVVG VRLAALADQV GAALAEGXXX XXVTEDRTVT GVTLRAQDVS DATA SEQUENCE PGDLFAALTG STTHGARHVG DAIARGAVAV LTDPAGVAEI AGRAAVPVLV DATA SEQUENCE HPAPRGVLGG LAATVYGHPS ERLTVIGITG TSGKTTTTYL VEAGLRAAGR DATA SEQUENCE VAGLIGTIGI RVGGADLPSA LTTPEAPTLQ AMLAAMVERG VDTVVMEVSS DATA SEQUENCE HALALGRVDG TRFAVGAFTN LSRDHLDFHP SMADYFEAXA SLFDPDSALR DATA SEQUENCE ARTAVVCIDD DAGRAMAARA ADAITVSAAD RPAHWRATDV APTDAGGQQF DATA SEQUENCE TAIDPAGVGH HIGIRLPGRY NVANCLVALA ILDTVGVSPE QAVPGLREIR DATA SEQUENCE VPGRLEQXXX XXGFLALVDY AHKPEALRSV LTTLAHXXXR LAVVFXXXXX DATA SEQUENCE XXXXXRAPMG RIAXXXXDLV VVTXXXXXXX DPTAIRREIL AXXXXXXXXX DATA SEQUENCE QVVEIADRRD AIRHAVAWAR PGDVVLIAGK GH 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 24 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.692 174.700 -0.013 0.000 1.109 24 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 24 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 25 G N 1.170 109.961 108.800 -0.014 0.000 2.915 25 G HA2 0.013 3.974 3.960 0.002 0.000 0.337 25 G HA3 0.013 3.974 3.960 0.002 0.000 0.337 25 G C -0.849 174.036 174.900 -0.025 0.000 1.477 25 G CA -0.203 44.886 45.100 -0.018 0.000 0.916 25 G HN 0.912 nan 8.290 nan 0.000 0.550 26 L N 0.729 121.931 121.223 -0.035 0.000 2.435 26 L HA 0.777 5.118 4.340 0.002 0.000 0.253 26 L C 0.241 177.073 176.870 -0.064 0.000 1.087 26 L CA -0.409 54.402 54.840 -0.048 0.000 0.950 26 L CB 0.907 42.933 42.059 -0.055 0.000 1.304 26 L HN 0.762 nan 8.230 nan 0.000 0.453 27 R N 4.036 124.506 120.500 -0.050 0.000 2.686 27 R HA 0.720 5.062 4.340 0.002 0.000 0.283 27 R C -2.776 173.508 176.300 -0.028 0.000 0.978 27 R CA -1.738 54.333 56.100 -0.048 0.000 0.897 27 R CB 1.918 32.211 30.300 -0.011 0.000 1.192 27 R HN 0.143 nan 8.270 nan 0.000 0.457 28 P HA 0.189 nan 4.420 nan 0.000 0.277 28 P C -0.982 176.340 177.300 0.037 0.000 1.240 28 P CA -0.272 62.836 63.100 0.012 0.000 0.798 28 P CB 0.826 32.549 31.700 0.039 0.000 0.979 29 N N 0.465 119.180 118.700 0.025 0.000 2.235 29 N HA 0.299 5.041 4.740 0.002 0.000 0.231 29 N C -0.058 175.466 175.510 0.023 0.000 1.177 29 N CA -0.593 52.471 53.050 0.024 0.000 0.874 29 N CB 0.662 39.157 38.487 0.013 0.000 1.097 29 N HN 0.319 nan 8.380 nan 0.000 0.518 30 A N 1.003 123.841 122.820 0.030 0.000 3.234 30 A HA 0.243 4.564 4.320 0.002 0.000 0.247 30 A C -0.412 177.190 177.584 0.029 0.000 0.938 30 A CA -0.465 51.585 52.037 0.022 0.000 1.039 30 A CB 0.189 19.198 19.000 0.015 0.000 1.197 30 A HN 0.186 nan 8.150 nan 0.000 0.498 31 V N 1.692 121.627 119.914 0.035 0.000 2.385 31 V HA 0.588 4.710 4.120 0.002 0.000 0.269 31 V C 0.220 176.309 176.094 -0.008 0.000 1.043 31 V CA -0.324 61.991 62.300 0.025 0.000 0.906 31 V CB 0.931 32.781 31.823 0.046 0.000 0.995 31 V HN 0.827 nan 8.190 nan 0.000 0.467 32 V N 5.254 125.161 119.914 -0.012 0.000 2.715 32 V HA 0.707 4.828 4.120 0.002 0.000 0.299 32 V C 1.179 177.246 176.094 -0.045 0.000 1.054 32 V CA 0.337 62.624 62.300 -0.021 0.000 1.077 32 V CB 0.108 31.923 31.823 -0.012 0.000 0.972 32 V HN 1.051 nan 8.190 nan 0.000 0.484 33 G N 2.642 111.415 108.800 -0.046 0.000 2.486 33 G HA2 0.509 4.470 3.960 0.002 0.000 0.272 33 G HA3 0.509 4.470 3.960 0.002 0.000 0.272 33 G C -0.560 174.303 174.900 -0.063 0.000 1.426 33 G CA -0.341 44.719 45.100 -0.066 0.000 1.058 33 G HN 1.156 nan 8.290 nan 0.000 0.531 34 V N -0.038 119.838 119.914 -0.064 0.000 2.777 34 V HA 0.326 4.447 4.120 0.002 0.000 0.306 34 V C -0.227 175.844 176.094 -0.038 0.000 1.112 34 V CA -0.970 61.300 62.300 -0.050 0.000 0.917 34 V CB 1.924 33.708 31.823 -0.065 0.000 1.018 34 V HN 0.907 nan 8.190 nan 0.000 0.426 35 R N 3.113 123.599 120.500 -0.024 0.000 2.640 35 R HA 0.172 4.514 4.340 0.002 0.000 0.270 35 R C 1.037 177.326 176.300 -0.017 0.000 1.024 35 R CA -0.513 55.577 56.100 -0.017 0.000 1.085 35 R CB 0.413 30.707 30.300 -0.009 0.000 0.963 35 R HN 0.601 nan 8.270 nan 0.000 0.426 36 L N 3.229 124.444 121.223 -0.013 0.000 2.083 36 L HA -0.143 4.198 4.340 0.002 0.000 0.209 36 L C 2.237 179.105 176.870 -0.003 0.000 1.083 36 L CA 2.309 57.143 54.840 -0.010 0.000 0.752 36 L CB -0.795 41.262 42.059 -0.004 0.000 0.899 36 L HN 0.922 nan 8.230 nan 0.000 0.433 37 A N -0.567 122.252 122.820 -0.001 0.000 1.933 37 A HA -0.106 4.215 4.320 0.002 0.000 0.218 37 A C 2.462 180.048 177.584 0.004 0.000 1.175 37 A CA 1.727 53.766 52.037 0.004 0.000 0.628 37 A CB -1.074 17.928 19.000 0.004 0.000 0.814 37 A HN 0.575 nan 8.150 nan 0.000 0.444 38 A N -0.408 122.412 122.820 0.000 0.000 1.858 38 A HA -0.035 4.287 4.320 0.002 0.000 0.216 38 A C 2.021 179.606 177.584 0.003 0.000 1.190 38 A CA 1.753 53.791 52.037 0.002 0.000 0.617 38 A CB -0.604 18.395 19.000 -0.001 0.000 0.827 38 A HN 0.385 nan 8.150 nan 0.000 0.443 39 L N -0.289 120.931 121.223 -0.006 0.000 1.970 39 L HA -0.180 4.161 4.340 0.002 0.000 0.212 39 L C 3.075 179.948 176.870 0.005 0.000 1.071 39 L CA 2.087 56.922 54.840 -0.008 0.000 0.751 39 L CB -1.541 40.505 42.059 -0.022 0.000 0.889 39 L HN 0.436 nan 8.230 nan 0.000 0.432 40 A N -0.625 122.201 122.820 0.010 0.000 1.903 40 A HA -0.287 4.034 4.320 0.002 0.000 0.219 40 A C 2.047 179.650 177.584 0.032 0.000 1.191 40 A CA 2.218 54.270 52.037 0.024 0.000 0.638 40 A CB -0.820 18.192 19.000 0.021 0.000 0.823 40 A HN 0.473 nan 8.150 nan 0.000 0.451 41 D N -1.098 119.316 120.400 0.023 0.000 2.117 41 D HA -0.183 4.458 4.640 0.002 0.000 0.197 41 D C 2.067 178.386 176.300 0.031 0.000 0.987 41 D CA 1.578 55.593 54.000 0.025 0.000 0.829 41 D CB -0.483 40.327 40.800 0.017 0.000 0.961 41 D HN 0.727 nan 8.370 nan 0.000 0.460 42 Q N 0.493 120.309 119.800 0.027 0.000 2.112 42 Q HA -0.152 4.190 4.340 0.002 0.000 0.206 42 Q C 1.755 177.779 176.000 0.041 0.000 0.987 42 Q CA 1.784 57.604 55.803 0.028 0.000 0.858 42 Q CB 0.216 28.966 28.738 0.020 0.000 0.905 42 Q HN 0.321 nan 8.270 nan 0.000 0.420 43 V N -4.028 115.916 119.914 0.050 0.000 3.621 43 V HA 0.434 4.555 4.120 0.002 0.000 0.285 43 V C 0.927 177.142 176.094 0.201 0.000 1.346 43 V CA 0.422 62.778 62.300 0.094 0.000 1.104 43 V CB -0.120 31.706 31.823 0.006 0.000 0.913 43 V HN 0.378 nan 8.190 nan 0.000 0.432 44 G N 0.840 109.708 108.800 0.114 0.000 2.305 44 G HA2 -0.112 3.849 3.960 0.002 0.000 0.287 44 G HA3 -0.112 3.849 3.960 0.002 0.000 0.287 44 G C 0.370 175.318 174.900 0.081 0.000 1.036 44 G CA 0.450 45.598 45.100 0.080 0.000 0.887 44 G HN 1.634 nan 8.290 nan 0.000 0.505 45 A N -0.511 122.377 122.820 0.115 0.000 2.386 45 A HA 0.839 5.160 4.320 0.002 0.000 0.248 45 A C 0.915 178.525 177.584 0.044 0.000 1.082 45 A CA 0.751 52.851 52.037 0.104 0.000 0.789 45 A CB 0.701 19.771 19.000 0.116 0.000 1.025 45 A HN 2.121 nan 8.150 nan 0.000 0.490 46 A N 1.230 124.066 122.820 0.027 0.000 2.304 46 A HA 0.604 4.926 4.320 0.002 0.000 0.301 46 A C -0.458 177.139 177.584 0.021 0.000 1.132 46 A CA -0.470 51.576 52.037 0.014 0.000 0.819 46 A CB 0.185 19.186 19.000 0.000 0.000 1.094 46 A HN 0.687 nan 8.150 nan 0.000 0.492 47 L N 1.753 122.985 121.223 0.016 0.000 2.292 47 L HA 0.417 4.758 4.340 0.002 0.000 0.284 47 L C 1.623 178.501 176.870 0.013 0.000 1.065 47 L CA 0.670 55.520 54.840 0.016 0.000 0.806 47 L CB 0.728 42.795 42.059 0.014 0.000 1.175 47 L HN 0.881 nan 8.230 nan 0.000 0.431 48 A N 2.927 125.756 122.820 0.015 0.000 1.978 48 A HA -0.106 4.216 4.320 0.002 0.000 0.220 48 A C 1.598 179.188 177.584 0.009 0.000 1.170 48 A CA 1.406 53.450 52.037 0.012 0.000 0.636 48 A CB -0.192 18.817 19.000 0.014 0.000 0.810 48 A HN 0.762 nan 8.150 nan 0.000 0.448 49 E N -1.117 119.089 120.200 0.010 0.000 2.452 49 E HA 0.309 4.661 4.350 0.002 0.000 0.197 49 E C 1.155 177.759 176.600 0.007 0.000 1.022 49 E CA 0.662 57.066 56.400 0.008 0.000 0.890 49 E CB -0.183 29.522 29.700 0.009 0.000 0.918 49 E HN 0.729 nan 8.360 nan 0.000 0.496 57 T N 0.755 115.313 114.554 0.006 0.000 2.821 57 T HA -0.122 4.229 4.350 0.002 0.000 0.267 57 T C 1.446 176.147 174.700 0.003 0.000 1.046 57 T CA 2.164 64.267 62.100 0.006 0.000 1.139 57 T CB -0.145 68.727 68.868 0.008 0.000 0.871 57 T HN 0.704 nan 8.240 nan 0.000 0.454 58 E N 1.108 121.310 120.200 0.003 0.000 2.338 58 E HA -0.119 4.232 4.350 0.002 0.000 0.197 58 E C 1.754 178.354 176.600 0.000 0.000 1.007 58 E CA 0.791 57.192 56.400 0.002 0.000 0.849 58 E CB -0.175 29.526 29.700 0.002 0.000 0.774 58 E HN 0.263 nan 8.360 nan 0.000 0.506 59 D N -0.547 119.853 120.400 0.000 0.000 2.259 59 D HA 0.007 4.648 4.640 0.002 0.000 0.216 59 D C 0.162 176.461 176.300 -0.002 0.000 0.961 59 D CA 0.294 54.294 54.000 -0.000 0.000 0.878 59 D CB 0.266 41.067 40.800 0.001 0.000 1.009 59 D HN -0.013 nan 8.370 nan 0.000 0.490 60 R N 0.586 121.085 120.500 -0.002 0.000 2.594 60 R HA 0.263 4.604 4.340 0.002 0.000 0.272 60 R C -0.136 176.159 176.300 -0.009 0.000 1.074 60 R CA 0.279 56.377 56.100 -0.003 0.000 1.105 60 R CB 0.473 30.773 30.300 0.000 0.000 1.008 60 R HN 0.001 nan 8.270 nan 0.000 0.472 61 T N 1.515 116.061 114.554 -0.013 0.000 2.807 61 T HA 0.307 4.658 4.350 0.002 0.000 0.279 61 T C -0.212 174.470 174.700 -0.030 0.000 0.993 61 T CA -0.588 61.498 62.100 -0.023 0.000 0.970 61 T CB 1.923 70.778 68.868 -0.022 0.000 0.950 61 T HN 0.157 nan 8.240 nan 0.000 0.441 62 V N 3.975 123.861 119.914 -0.047 0.000 2.350 62 V HA 0.341 4.462 4.120 0.002 0.000 0.276 62 V C 1.291 177.321 176.094 -0.106 0.000 1.028 62 V CA -0.438 61.823 62.300 -0.066 0.000 0.860 62 V CB 1.048 32.828 31.823 -0.071 0.000 0.990 62 V HN 1.160 nan 8.190 nan 0.000 0.453 63 T N 0.341 114.834 114.554 -0.102 0.000 3.085 63 T HA 0.517 4.869 4.350 0.002 0.000 0.264 63 T C 0.523 175.110 174.700 -0.190 0.000 1.019 63 T CA 0.298 62.320 62.100 -0.129 0.000 0.910 63 T CB 0.483 69.314 68.868 -0.062 0.000 1.059 63 T HN 0.955 nan 8.240 nan 0.000 0.542 64 G N 0.119 108.797 108.800 -0.203 0.000 2.601 64 G HA2 0.539 4.500 3.960 0.002 0.000 0.291 64 G HA3 0.539 4.500 3.960 0.002 0.000 0.291 64 G C -2.119 172.726 174.900 -0.091 0.000 1.456 64 G CA -0.602 44.392 45.100 -0.178 0.000 0.804 64 G HN 0.242 nan 8.290 nan 0.000 0.499 65 V N 0.020 119.971 119.914 0.063 0.000 2.709 65 V HA 0.872 4.993 4.120 0.002 0.000 0.308 65 V C -0.128 176.069 176.094 0.171 0.000 1.062 65 V CA -0.515 61.846 62.300 0.102 0.000 0.901 65 V CB 1.877 33.746 31.823 0.076 0.000 1.003 65 V HN 1.093 nan 8.190 nan 0.000 0.425 66 T N 3.986 118.634 114.554 0.158 0.000 2.923 66 T HA 0.518 4.869 4.350 0.002 0.000 0.311 66 T C -0.166 174.671 174.700 0.228 0.000 1.183 66 T CA -0.474 61.727 62.100 0.169 0.000 1.020 66 T CB 1.628 70.588 68.868 0.153 0.000 1.165 66 T HN 0.785 nan 8.240 nan 0.000 0.482 67 L N 2.172 123.498 121.223 0.173 0.000 2.965 67 L HA 0.669 5.011 4.340 0.002 0.000 0.254 67 L C 0.328 177.364 176.870 0.276 0.000 1.220 67 L CA -0.648 54.275 54.840 0.138 0.000 1.023 67 L CB 0.078 42.147 42.059 0.016 0.000 1.355 67 L HN 0.407 nan 8.230 nan 0.000 0.545 68 R N 0.322 121.011 120.500 0.315 0.000 2.502 68 R HA 0.594 4.936 4.340 0.002 0.000 0.298 68 R C 0.820 177.138 176.300 0.030 0.000 1.018 68 R CA 0.411 56.624 56.100 0.188 0.000 0.899 68 R CB 1.888 32.219 30.300 0.052 0.000 1.181 68 R HN 0.160 nan 8.270 nan 0.000 0.444 69 A N 3.266 125.969 122.820 -0.196 0.000 1.917 69 A HA -0.224 4.098 4.320 0.002 0.000 0.219 69 A C 1.448 178.857 177.584 -0.291 0.000 1.182 69 A CA 1.527 53.198 52.037 -0.610 0.000 0.633 69 A CB -0.196 18.482 19.000 -0.538 0.000 0.819 69 A HN 0.816 nan 8.150 nan 0.000 0.448 70 Q N -0.236 119.470 119.800 -0.158 0.000 2.472 70 Q HA -0.013 4.329 4.340 0.002 0.000 0.208 70 Q C 0.507 176.468 176.000 -0.066 0.000 0.958 70 Q CA 1.085 56.833 55.803 -0.093 0.000 0.932 70 Q CB 0.066 28.767 28.738 -0.062 0.000 1.007 70 Q HN 0.594 nan 8.270 nan 0.000 0.508 71 D N -0.687 119.679 120.400 -0.057 0.000 2.349 71 D HA -0.003 4.639 4.640 0.002 0.000 0.214 71 D C 0.037 176.328 176.300 -0.015 0.000 1.063 71 D CA 0.060 54.047 54.000 -0.022 0.000 0.847 71 D CB 0.338 41.141 40.800 0.004 0.000 0.933 71 D HN 0.158 nan 8.370 nan 0.000 0.513 72 V N -0.450 119.435 119.914 -0.049 0.000 2.637 72 V HA 0.317 4.438 4.120 0.002 0.000 0.296 72 V C 0.312 176.398 176.094 -0.014 0.000 1.046 72 V CA -0.233 62.051 62.300 -0.026 0.000 1.066 72 V CB 1.327 33.114 31.823 -0.060 0.000 0.968 72 V HN -0.127 nan 8.190 nan 0.000 0.483 73 S N 5.866 121.572 115.700 0.010 0.000 2.593 73 S HA 0.650 5.121 4.470 0.002 0.000 0.297 73 S C -2.621 171.984 174.600 0.008 0.000 1.112 73 S CA -1.291 56.914 58.200 0.009 0.000 1.043 73 S CB 1.646 64.859 63.200 0.022 0.000 1.054 73 S HN 0.861 nan 8.310 nan 0.000 0.516 74 P HA 0.228 nan 4.420 nan 0.000 0.263 74 P C 0.592 177.894 177.300 0.003 0.000 1.195 74 P CA 0.894 63.995 63.100 0.002 0.000 0.762 74 P CB 0.332 32.032 31.700 -0.000 0.000 0.799 75 G N 1.978 110.780 108.800 0.003 0.000 2.184 75 G HA2 -0.157 3.805 3.960 0.002 0.000 0.206 75 G HA3 -0.157 3.805 3.960 0.002 0.000 0.206 75 G C -0.111 174.785 174.900 -0.006 0.000 0.995 75 G CA -0.489 44.608 45.100 -0.004 0.000 0.651 75 G HN 0.462 nan 8.290 nan 0.000 0.511 76 D N 0.179 120.586 120.400 0.012 0.000 2.339 76 D HA 0.480 5.121 4.640 0.002 0.000 0.245 76 D C 0.447 176.776 176.300 0.048 0.000 1.115 76 D CA -0.279 53.737 54.000 0.027 0.000 0.917 76 D CB 1.524 42.359 40.800 0.060 0.000 1.192 76 D HN 0.253 nan 8.370 nan 0.000 0.428 77 L N 2.722 123.971 121.223 0.043 0.000 2.290 77 L HA 0.313 4.655 4.340 0.002 0.000 0.284 77 L C -0.978 175.986 176.870 0.156 0.000 1.078 77 L CA -0.307 54.574 54.840 0.069 0.000 0.815 77 L CB 0.171 42.239 42.059 0.014 0.000 1.162 77 L HN 0.267 nan 8.230 nan 0.000 0.435 78 F N 5.600 125.558 119.950 0.013 0.000 2.404 78 F HA 0.606 5.135 4.527 0.004 0.000 0.358 78 F C 0.428 176.245 175.800 0.029 0.000 1.120 78 F CA -0.905 57.110 58.000 0.024 0.000 1.144 78 F CB 0.803 39.823 39.000 0.034 0.000 1.133 78 F HN 0.693 nan 8.300 nan 0.000 0.495 79 A N 5.999 128.603 122.820 -0.360 0.000 2.415 79 A HA 0.584 4.905 4.320 0.002 0.000 0.309 79 A C 0.006 177.017 177.584 -0.955 0.000 1.356 79 A CA -0.248 51.511 52.037 -0.464 0.000 0.998 79 A CB -0.392 18.484 19.000 -0.207 0.000 1.145 79 A HN 0.967 nan 8.150 nan 0.000 0.545 80 A N 4.450 126.721 122.820 -0.914 0.000 2.415 80 A HA 0.566 4.887 4.320 0.002 0.000 0.309 80 A C 0.049 177.492 177.584 -0.236 0.000 1.356 80 A CA -0.181 51.472 52.037 -0.640 0.000 0.998 80 A CB -0.360 18.477 19.000 -0.270 0.000 1.145 80 A HN 0.801 nan 8.150 nan 0.000 0.545 81 L N 1.738 122.794 121.223 -0.279 0.000 2.352 81 L HA 0.552 4.893 4.340 0.002 0.000 0.269 81 L C 1.052 177.530 176.870 -0.653 0.000 1.034 81 L CA -0.756 53.893 54.840 -0.318 0.000 0.806 81 L CB 1.919 43.860 42.059 -0.196 0.000 1.244 81 L HN 0.698 nan 8.230 nan 0.000 0.447 82 T N -0.683 113.483 114.554 -0.647 0.000 2.889 82 T HA 0.670 5.021 4.350 0.002 0.000 0.291 82 T C -0.041 174.529 174.700 -0.217 0.000 0.995 82 T CA -0.234 61.511 62.100 -0.592 0.000 1.092 82 T CB 1.498 70.223 68.868 -0.239 0.000 0.954 82 T HN 0.784 nan 8.240 nan 0.000 0.506 83 G N 1.003 109.734 108.800 -0.115 0.000 2.766 83 G HA2 0.484 4.445 3.960 0.002 0.000 0.288 83 G HA3 0.484 4.445 3.960 0.002 0.000 0.288 83 G C 0.568 175.475 174.900 0.012 0.000 1.408 83 G CA -0.484 44.596 45.100 -0.034 0.000 0.852 83 G HN 0.631 nan 8.290 nan 0.000 0.487 84 S N -1.181 114.538 115.700 0.031 0.000 2.419 84 S HA -0.098 4.373 4.470 0.002 0.000 0.233 84 S C 2.223 176.849 174.600 0.044 0.000 1.016 84 S CA 1.979 60.205 58.200 0.044 0.000 0.974 84 S CB -0.019 63.215 63.200 0.056 0.000 0.786 84 S HN 0.871 nan 8.310 nan 0.000 0.492 85 T N -1.079 113.500 114.554 0.042 0.000 2.971 85 T HA 0.241 4.592 4.350 0.002 0.000 0.252 85 T C 0.497 175.238 174.700 0.068 0.000 1.022 85 T CA 0.957 63.087 62.100 0.050 0.000 0.980 85 T CB 0.404 69.297 68.868 0.043 0.000 1.044 85 T HN 0.366 nan 8.240 nan 0.000 0.501 86 T N -0.379 114.221 114.554 0.078 0.000 2.658 86 T HA 0.313 4.664 4.350 0.002 0.000 0.306 86 T C -2.348 172.438 174.700 0.142 0.000 1.544 86 T CA -0.668 61.506 62.100 0.124 0.000 0.991 86 T CB 1.202 70.168 68.868 0.164 0.000 1.774 86 T HN 0.166 nan 8.240 nan 0.000 0.479 87 H N -0.370 118.766 119.070 0.110 0.000 2.589 87 H HA 0.462 5.019 4.556 0.002 0.000 0.335 87 H C 1.319 176.755 175.328 0.181 0.000 1.019 87 H CA 0.400 56.511 56.048 0.105 0.000 1.213 87 H CB 1.579 31.383 29.762 0.071 0.000 1.472 87 H HN 0.909 nan 8.280 nan 0.000 0.508 88 G N 2.969 111.934 108.800 0.275 0.000 2.499 88 G HA2 -0.278 3.683 3.960 0.002 0.000 0.221 88 G HA3 -0.278 3.683 3.960 0.002 0.000 0.221 88 G C 1.493 176.710 174.900 0.529 0.000 1.109 88 G CA 0.744 46.076 45.100 0.386 0.000 0.749 88 G HN 0.658 nan 8.290 nan 0.000 0.568 89 A N 0.669 123.822 122.820 0.554 0.000 2.070 89 A HA 0.005 4.327 4.320 0.002 0.000 0.220 89 A C 2.348 180.058 177.584 0.209 0.000 1.159 89 A CA 1.264 53.475 52.037 0.291 0.000 0.656 89 A CB -0.315 18.695 19.000 0.018 0.000 0.800 89 A HN 0.395 nan 8.150 nan 0.000 0.453 90 R N -0.917 119.699 120.500 0.192 0.000 2.285 90 R HA -0.030 4.312 4.340 0.002 0.000 0.213 90 R C 0.600 176.815 176.300 -0.142 0.000 1.068 90 R CA 0.981 57.080 56.100 -0.002 0.000 1.004 90 R CB -0.172 30.087 30.300 -0.068 0.000 0.873 90 R HN 0.671 nan 8.270 nan 0.000 0.467 91 H N -0.971 118.207 119.070 0.181 0.000 2.528 91 H HA 0.133 4.690 4.556 0.002 0.000 0.282 91 H C 1.495 176.849 175.328 0.044 0.000 1.097 91 H CA -0.093 56.014 56.048 0.098 0.000 1.121 91 H CB 0.797 30.611 29.762 0.088 0.000 1.590 91 H HN -0.039 nan 8.280 nan 0.000 0.553 92 V N 0.603 120.660 119.914 0.239 0.000 2.343 92 V HA -0.204 3.917 4.120 0.002 0.000 0.247 92 V C 2.701 178.828 176.094 0.056 0.000 1.051 92 V CA 2.116 64.541 62.300 0.209 0.000 1.036 92 V CB -0.731 31.230 31.823 0.230 0.000 0.654 92 V HN 0.560 nan 8.190 nan 0.000 0.451 93 G N -0.369 108.450 108.800 0.032 0.000 2.513 93 G HA2 -0.399 3.563 3.960 0.002 0.000 0.219 93 G HA3 -0.399 3.563 3.960 0.002 0.000 0.219 93 G C 1.353 176.238 174.900 -0.025 0.000 1.160 93 G CA 1.393 46.494 45.100 0.002 0.000 0.767 93 G HN 0.558 nan 8.290 nan 0.000 0.571 94 D N 0.666 121.044 120.400 -0.037 0.000 2.097 94 D HA 0.036 4.678 4.640 0.002 0.000 0.195 94 D C 2.772 178.995 176.300 -0.128 0.000 0.989 94 D CA 1.475 55.438 54.000 -0.061 0.000 0.827 94 D CB -0.516 40.267 40.800 -0.028 0.000 0.966 94 D HN 0.240 nan 8.370 nan 0.000 0.456 95 A N 0.450 123.122 122.820 -0.246 0.000 1.883 95 A HA -0.170 4.152 4.320 0.002 0.000 0.217 95 A C 2.520 180.029 177.584 -0.124 0.000 1.186 95 A CA 1.527 53.371 52.037 -0.321 0.000 0.624 95 A CB -0.948 17.646 19.000 -0.677 0.000 0.822 95 A HN 0.396 nan 8.150 nan 0.000 0.444 96 I N -0.370 120.165 120.570 -0.058 0.000 2.264 96 I HA -0.289 3.882 4.170 0.002 0.000 0.248 96 I C 2.840 178.945 176.117 -0.021 0.000 1.111 96 I CA 1.077 62.369 61.300 -0.013 0.000 1.382 96 I CB -0.271 37.736 38.000 0.011 0.000 1.060 96 I HN 0.378 nan 8.210 nan 0.000 0.418 97 A N 0.583 123.384 122.820 -0.032 0.000 2.014 97 A HA -0.082 4.240 4.320 0.002 0.000 0.218 97 A C 2.213 179.780 177.584 -0.029 0.000 1.163 97 A CA 0.894 52.915 52.037 -0.026 0.000 0.652 97 A CB -0.364 18.622 19.000 -0.025 0.000 0.808 97 A HN 0.334 nan 8.150 nan 0.000 0.449 98 R N -1.256 119.217 120.500 -0.045 0.000 2.310 98 R HA 0.211 4.552 4.340 0.002 0.000 0.202 98 R C 1.097 177.381 176.300 -0.028 0.000 0.933 98 R CA 0.546 56.621 56.100 -0.041 0.000 1.054 98 R CB 0.036 30.299 30.300 -0.062 0.000 0.985 98 R HN 0.636 nan 8.270 nan 0.000 0.489 99 G N 0.120 108.908 108.800 -0.021 0.000 2.184 99 G HA2 -0.246 3.715 3.960 0.002 0.000 0.206 99 G HA3 -0.246 3.715 3.960 0.002 0.000 0.206 99 G C 0.226 175.126 174.900 0.001 0.000 0.995 99 G CA -0.242 44.853 45.100 -0.008 0.000 0.651 99 G HN 0.452 nan 8.290 nan 0.000 0.511 100 A N 0.435 123.256 122.820 0.002 0.000 2.567 100 A HA 0.522 4.843 4.320 0.002 0.000 0.240 100 A C 1.827 179.432 177.584 0.035 0.000 1.053 100 A CA 0.960 53.015 52.037 0.031 0.000 0.755 100 A CB 0.423 19.454 19.000 0.053 0.000 0.978 100 A HN 1.615 nan 8.150 nan 0.000 0.507 101 V N -0.224 119.711 119.914 0.035 0.000 3.235 101 V HA 0.500 4.622 4.120 0.002 0.000 0.259 101 V C 0.831 176.946 176.094 0.036 0.000 1.133 101 V CA 1.073 63.389 62.300 0.026 0.000 1.128 101 V CB -1.756 30.074 31.823 0.012 0.000 0.757 101 V HN 1.907 nan 8.190 nan 0.000 0.469 102 A N -1.048 121.806 122.820 0.057 0.000 2.544 102 A HA 0.741 5.063 4.320 0.002 0.000 0.291 102 A C -1.332 176.310 177.584 0.096 0.000 1.055 102 A CA -0.231 51.843 52.037 0.061 0.000 0.651 102 A CB 1.449 20.471 19.000 0.036 0.000 1.296 102 A HN 0.390 nan 8.150 nan 0.000 0.431 103 V N 1.242 121.206 119.914 0.083 0.000 2.656 103 V HA 0.644 4.765 4.120 0.002 0.000 0.307 103 V C -0.775 175.331 176.094 0.021 0.000 1.051 103 V CA -0.625 61.726 62.300 0.084 0.000 0.893 103 V CB 1.821 33.716 31.823 0.122 0.000 0.999 103 V HN 0.836 nan 8.190 nan 0.000 0.426 104 L N 3.974 125.175 121.223 -0.037 0.000 2.343 104 L HA 0.778 5.119 4.340 0.002 0.000 0.278 104 L C -0.545 176.285 176.870 -0.066 0.000 0.996 104 L CA 0.451 55.267 54.840 -0.040 0.000 0.831 104 L CB 1.507 43.534 42.059 -0.054 0.000 1.232 104 L HN 0.894 nan 8.230 nan 0.000 0.413 105 T N 2.151 116.703 114.554 -0.003 0.000 2.681 105 T HA 0.503 4.854 4.350 0.002 0.000 0.296 105 T C -1.323 173.422 174.700 0.075 0.000 1.157 105 T CA -0.418 61.701 62.100 0.031 0.000 1.025 105 T CB 1.675 70.579 68.868 0.060 0.000 1.441 105 T HN 0.743 nan 8.240 nan 0.000 0.504 106 D N 0.326 120.795 120.400 0.114 0.000 2.487 106 D HA 0.467 5.108 4.640 0.002 0.000 0.262 106 D C -1.968 174.377 176.300 0.075 0.000 1.130 106 D CA -1.750 52.313 54.000 0.105 0.000 1.038 106 D CB -0.259 40.614 40.800 0.122 0.000 1.142 106 D HN 0.138 nan 8.370 nan 0.000 0.575 107 P HA -0.165 nan 4.420 nan 0.000 0.216 107 P C 1.123 178.429 177.300 0.011 0.000 1.150 107 P CA 2.385 65.499 63.100 0.024 0.000 0.843 107 P CB -0.071 31.641 31.700 0.019 0.000 0.787 108 A N -0.503 122.339 122.820 0.036 0.000 1.930 108 A HA -0.021 4.301 4.320 0.002 0.000 0.217 108 A C 2.466 179.927 177.584 -0.206 0.000 1.175 108 A CA 1.821 53.846 52.037 -0.020 0.000 0.627 108 A CB -1.761 17.291 19.000 0.086 0.000 0.815 108 A HN 0.270 nan 8.150 nan 0.000 0.443 109 G N 0.178 108.876 108.800 -0.171 0.000 2.440 109 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 109 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 109 G C 1.621 176.444 174.900 -0.128 0.000 1.154 109 G CA 2.003 46.947 45.100 -0.260 0.000 0.767 109 G HN 0.967 nan 8.290 nan 0.000 0.552 110 V N -0.739 119.143 119.914 -0.053 0.000 2.490 110 V HA 0.066 4.187 4.120 0.002 0.000 0.250 110 V C 2.958 179.025 176.094 -0.045 0.000 1.061 110 V CA 1.801 64.083 62.300 -0.031 0.000 1.064 110 V CB -1.151 30.667 31.823 -0.009 0.000 0.670 110 V HN 0.414 nan 8.190 nan 0.000 0.461 111 A N 0.485 123.268 122.820 -0.062 0.000 1.883 111 A HA -0.192 4.130 4.320 0.002 0.000 0.217 111 A C 2.227 179.769 177.584 -0.070 0.000 1.186 111 A CA 1.965 53.967 52.037 -0.058 0.000 0.624 111 A CB -0.600 18.366 19.000 -0.056 0.000 0.822 111 A HN 0.602 nan 8.150 nan 0.000 0.444 112 E N -0.158 119.971 120.200 -0.118 0.000 2.106 112 E HA -0.120 4.231 4.350 0.002 0.000 0.192 112 E C 1.932 178.497 176.600 -0.059 0.000 0.984 112 E CA 1.064 57.401 56.400 -0.106 0.000 0.806 112 E CB -0.374 29.223 29.700 -0.172 0.000 0.750 112 E HN 0.748 nan 8.360 nan 0.000 0.458 113 I N 0.888 121.429 120.570 -0.048 0.000 2.676 113 I HA -0.179 3.992 4.170 0.002 0.000 0.259 113 I C 1.592 177.702 176.117 -0.011 0.000 1.194 113 I CA 0.496 61.788 61.300 -0.013 0.000 1.473 113 I CB -0.384 37.620 38.000 0.006 0.000 1.096 113 I HN -0.012 nan 8.210 nan 0.000 0.443 114 A N 0.772 123.580 122.820 -0.020 0.000 5.391 114 A HA -0.277 4.045 4.320 0.002 0.000 0.315 114 A C 1.241 178.821 177.584 -0.006 0.000 1.874 114 A CA 1.169 53.198 52.037 -0.014 0.000 0.714 114 A CB -2.115 16.878 19.000 -0.012 0.000 1.335 114 A HN 0.427 nan 8.150 nan 0.000 0.382 115 G N -0.688 108.110 108.800 -0.003 0.000 2.580 115 G HA2 0.573 4.534 3.960 0.002 0.000 0.225 115 G HA3 0.573 4.534 3.960 0.002 0.000 0.225 115 G C 0.803 175.706 174.900 0.005 0.000 1.521 115 G CA 1.313 46.413 45.100 0.000 0.000 1.068 115 G HN 2.316 nan 8.290 nan 0.000 0.564 116 R N -0.899 119.605 120.500 0.006 0.000 2.526 116 R HA 0.435 4.776 4.340 0.002 0.000 0.319 116 R C 0.505 176.813 176.300 0.014 0.000 0.888 116 R CA 0.657 56.763 56.100 0.010 0.000 1.127 116 R CB -1.539 28.766 30.300 0.008 0.000 0.888 116 R HN 1.529 nan 8.270 nan 0.000 0.410 117 A N 2.189 125.021 122.820 0.020 0.000 2.293 117 A HA 0.672 4.994 4.320 0.002 0.000 0.302 117 A C 1.606 179.205 177.584 0.024 0.000 1.119 117 A CA 0.041 52.095 52.037 0.028 0.000 0.823 117 A CB 1.046 20.072 19.000 0.043 0.000 1.097 117 A HN 1.760 nan 8.150 nan 0.000 0.491 118 A N 0.853 123.687 122.820 0.023 0.000 2.209 118 A HA 0.360 4.682 4.320 0.002 0.000 0.212 118 A C 0.914 178.511 177.584 0.022 0.000 1.158 118 A CA 1.333 53.381 52.037 0.018 0.000 0.742 118 A CB -1.087 17.922 19.000 0.014 0.000 0.790 118 A HN 1.846 nan 8.150 nan 0.000 0.472 119 V N -5.184 114.747 119.914 0.030 0.000 3.046 119 V HA 0.659 4.780 4.120 0.002 0.000 0.316 119 V C -3.213 172.901 176.094 0.033 0.000 1.104 119 V CA -3.046 59.273 62.300 0.032 0.000 1.006 119 V CB 1.168 33.016 31.823 0.041 0.000 1.058 119 V HN 0.000 nan 8.190 nan 0.000 0.440 120 P HA 0.235 nan 4.420 nan 0.000 0.264 120 P C -0.714 176.607 177.300 0.035 0.000 1.193 120 P CA 0.205 63.321 63.100 0.028 0.000 0.763 120 P CB 0.585 32.298 31.700 0.023 0.000 0.810 121 V N 5.624 125.557 119.914 0.033 0.000 2.347 121 V HA 0.184 4.305 4.120 0.002 0.000 0.280 121 V C 0.105 176.218 176.094 0.031 0.000 1.021 121 V CA -0.558 61.764 62.300 0.036 0.000 0.847 121 V CB 1.013 32.857 31.823 0.035 0.000 0.990 121 V HN 0.313 nan 8.190 nan 0.000 0.444 122 L N 6.440 127.682 121.223 0.032 0.000 2.276 122 L HA 0.477 4.819 4.340 0.002 0.000 0.286 122 L C 0.007 176.906 176.870 0.048 0.000 1.061 122 L CA 0.200 55.062 54.840 0.037 0.000 0.807 122 L CB 1.558 43.637 42.059 0.034 0.000 1.177 122 L HN 0.411 nan 8.230 nan 0.000 0.429 123 V N 3.022 122.969 119.914 0.054 0.000 2.435 123 V HA 0.478 4.599 4.120 0.002 0.000 0.290 123 V C -0.285 175.869 176.094 0.100 0.000 1.030 123 V CA -0.672 61.665 62.300 0.062 0.000 0.881 123 V CB 1.313 33.155 31.823 0.031 0.000 0.983 123 V HN 0.684 nan 8.190 nan 0.000 0.445 124 H N 5.334 124.408 119.070 0.007 0.000 2.771 124 H HA 0.481 5.038 4.556 0.003 0.000 0.361 124 H C -2.873 172.462 175.328 0.011 0.000 1.108 124 H CA -1.822 54.230 56.048 0.007 0.000 1.201 124 H CB 3.387 33.151 29.762 0.002 0.000 1.681 124 H HN 0.433 nan 8.280 nan 0.000 0.534 125 P HA 0.122 nan 4.420 nan 0.000 0.272 125 P C -0.326 177.102 177.300 0.214 0.000 1.240 125 P CA 0.340 63.440 63.100 -0.001 0.000 0.791 125 P CB 0.384 32.032 31.700 -0.086 0.000 0.978 126 A N 1.484 124.403 122.820 0.165 0.000 2.560 126 A HA -0.152 4.170 4.320 0.002 0.000 0.299 126 A C -1.287 176.413 177.584 0.193 0.000 1.484 126 A CA 0.496 52.641 52.037 0.180 0.000 0.749 126 A CB -2.681 16.416 19.000 0.161 0.000 1.072 126 A HN 0.430 nan 8.150 nan 0.000 0.426 127 P HA -0.179 nan 4.420 nan 0.000 0.215 127 P C 1.594 178.841 177.300 -0.088 0.000 1.157 127 P CA 1.494 64.564 63.100 -0.051 0.000 0.868 127 P CB -0.010 31.676 31.700 -0.023 0.000 0.788 128 R N -0.042 120.436 120.500 -0.037 0.000 2.139 128 R HA -0.101 4.241 4.340 0.002 0.000 0.243 128 R C 2.123 178.411 176.300 -0.020 0.000 1.145 128 R CA 1.866 57.949 56.100 -0.028 0.000 0.976 128 R CB -1.258 29.038 30.300 -0.006 0.000 0.866 128 R HN 0.162 nan 8.270 nan 0.000 0.449 129 G N -1.253 107.542 108.800 -0.009 0.000 2.776 129 G HA2 -0.029 3.933 3.960 0.002 0.000 0.209 129 G HA3 -0.029 3.933 3.960 0.002 0.000 0.209 129 G C 0.815 175.696 174.900 -0.031 0.000 1.145 129 G CA 0.530 45.632 45.100 0.004 0.000 0.791 129 G HN 0.306 nan 8.290 nan 0.000 0.530 130 V N -0.982 118.876 119.914 -0.092 0.000 3.363 130 V HA 0.159 4.281 4.120 0.002 0.000 0.270 130 V C 1.900 177.924 176.094 -0.116 0.000 1.667 130 V CA 0.081 62.299 62.300 -0.138 0.000 1.034 130 V CB 0.265 31.882 31.823 -0.343 0.000 0.857 130 V HN 0.221 nan 8.190 nan 0.000 0.410 131 L N 1.760 122.925 121.223 -0.096 0.000 1.990 131 L HA -0.003 4.339 4.340 0.002 0.000 0.213 131 L C 2.301 179.152 176.870 -0.030 0.000 1.072 131 L CA 3.081 57.882 54.840 -0.065 0.000 0.755 131 L CB -1.147 40.881 42.059 -0.052 0.000 0.889 131 L HN 0.329 nan 8.230 nan 0.000 0.432 132 G N -1.210 107.582 108.800 -0.014 0.000 2.513 132 G HA2 -0.303 3.658 3.960 0.002 0.000 0.219 132 G HA3 -0.303 3.658 3.960 0.002 0.000 0.219 132 G C 1.527 176.430 174.900 0.005 0.000 1.160 132 G CA 0.808 45.910 45.100 0.003 0.000 0.767 132 G HN 0.631 nan 8.290 nan 0.000 0.571 133 G N 0.679 109.480 108.800 0.003 0.000 2.418 133 G HA2 -0.125 3.837 3.960 0.002 0.000 0.217 133 G HA3 -0.125 3.837 3.960 0.002 0.000 0.217 133 G C 1.844 176.740 174.900 -0.007 0.000 1.158 133 G CA 0.828 45.938 45.100 0.018 0.000 0.771 133 G HN 0.432 nan 8.290 nan 0.000 0.545 134 L N 0.768 121.972 121.223 -0.030 0.000 1.989 134 L HA -0.103 4.238 4.340 0.002 0.000 0.211 134 L C 3.434 180.268 176.870 -0.061 0.000 1.071 134 L CA 1.312 56.123 54.840 -0.048 0.000 0.749 134 L CB -0.438 41.586 42.059 -0.057 0.000 0.890 134 L HN 0.295 nan 8.230 nan 0.000 0.431 135 A N -0.212 122.597 122.820 -0.018 0.000 1.902 135 A HA -0.190 4.131 4.320 0.002 0.000 0.217 135 A C 2.501 180.120 177.584 0.060 0.000 1.181 135 A CA 1.795 53.866 52.037 0.056 0.000 0.623 135 A CB -0.825 18.249 19.000 0.124 0.000 0.818 135 A HN 0.422 nan 8.150 nan 0.000 0.443 136 A N -1.077 121.725 122.820 -0.031 0.000 1.972 136 A HA -0.068 4.253 4.320 0.002 0.000 0.219 136 A C 2.278 179.527 177.584 -0.558 0.000 1.169 136 A CA 2.261 54.203 52.037 -0.159 0.000 0.635 136 A CB -1.109 17.862 19.000 -0.049 0.000 0.810 136 A HN 0.448 nan 8.150 nan 0.000 0.446 137 T N -0.431 113.886 114.554 -0.396 0.000 2.737 137 T HA -0.111 4.240 4.350 0.002 0.000 0.265 137 T C 2.005 176.523 174.700 -0.303 0.000 1.038 137 T CA 1.798 63.660 62.100 -0.398 0.000 1.144 137 T CB -0.675 68.135 68.868 -0.097 0.000 0.866 137 T HN 0.640 nan 8.240 nan 0.000 0.434 138 V N -0.418 119.334 119.914 -0.270 0.000 2.626 138 V HA -0.052 4.069 4.120 0.002 0.000 0.252 138 V C 1.410 177.250 176.094 -0.422 0.000 1.067 138 V CA 1.214 63.304 62.300 -0.350 0.000 1.081 138 V CB -1.013 30.547 31.823 -0.439 0.000 0.686 138 V HN 0.531 nan 8.190 nan 0.000 0.468 139 Y N 1.892 122.101 120.300 -0.150 0.000 2.537 139 Y HA 0.591 5.142 4.550 0.002 0.000 0.303 139 Y C 1.862 177.689 175.900 -0.122 0.000 1.176 139 Y CA -0.161 57.869 58.100 -0.116 0.000 1.273 139 Y CB -0.247 38.154 38.460 -0.099 0.000 1.110 139 Y HN 0.430 nan 8.280 nan 0.000 0.518 140 G N 0.428 109.189 108.800 -0.065 0.000 2.198 140 G HA2 -0.327 3.634 3.960 0.002 0.000 0.260 140 G HA3 -0.327 3.634 3.960 0.002 0.000 0.260 140 G C -0.139 174.797 174.900 0.060 0.000 1.025 140 G CA 0.311 45.409 45.100 -0.004 0.000 0.769 140 G HN 0.699 nan 8.290 nan 0.000 0.507 141 H N -2.296 116.795 119.070 0.035 0.000 2.680 141 H HA -0.151 4.406 4.556 0.002 0.000 0.328 141 H C -0.545 174.778 175.328 -0.008 0.000 1.139 141 H CA 1.005 57.057 56.048 0.007 0.000 1.124 141 H CB -1.235 28.522 29.762 -0.008 0.000 1.584 141 H HN 0.540 nan 8.280 nan 0.000 0.410 142 P HA -0.162 nan 4.420 nan 0.000 0.219 142 P C 1.565 178.856 177.300 -0.015 0.000 1.146 142 P CA 1.896 65.001 63.100 0.008 0.000 0.808 142 P CB 0.091 31.774 31.700 -0.028 0.000 0.779 143 S N -0.985 114.697 115.700 -0.030 0.000 2.607 143 S HA -0.002 4.469 4.470 0.002 0.000 0.224 143 S C 1.499 176.065 174.600 -0.057 0.000 0.969 143 S CA 0.204 58.356 58.200 -0.081 0.000 0.927 143 S CB -0.828 62.274 63.200 -0.164 0.000 0.772 143 S HN 0.183 nan 8.310 nan 0.000 0.533 144 E N 0.577 120.770 120.200 -0.011 0.000 2.479 144 E HA 0.180 4.531 4.350 0.002 0.000 0.193 144 E C 1.021 177.615 176.600 -0.010 0.000 1.049 144 E CA -0.061 56.331 56.400 -0.013 0.000 0.870 144 E CB 0.198 29.896 29.700 -0.004 0.000 0.944 144 E HN 0.480 nan 8.360 nan 0.000 0.492 145 R N 0.094 120.587 120.500 -0.011 0.000 2.572 145 R HA 0.331 4.672 4.340 0.002 0.000 0.370 145 R C 0.005 176.293 176.300 -0.019 0.000 1.005 145 R CA 0.063 56.157 56.100 -0.010 0.000 1.146 145 R CB 1.002 31.301 30.300 -0.001 0.000 1.390 145 R HN 0.009 nan 8.270 nan 0.000 0.553 146 L N -0.466 120.739 121.223 -0.030 0.000 2.341 146 L HA 0.442 4.784 4.340 0.002 0.000 0.254 146 L C -0.419 176.430 176.870 -0.035 0.000 1.040 146 L CA -0.787 54.031 54.840 -0.036 0.000 0.837 146 L CB 2.719 44.748 42.059 -0.050 0.000 1.425 146 L HN -0.210 nan 8.230 nan 0.000 0.414 147 T N 1.371 115.909 114.554 -0.027 0.000 2.753 147 T HA 0.427 4.779 4.350 0.002 0.000 0.297 147 T C -0.431 174.259 174.700 -0.016 0.000 0.981 147 T CA -0.292 61.798 62.100 -0.016 0.000 0.956 147 T CB 0.897 69.763 68.868 -0.003 0.000 0.936 147 T HN 0.134 nan 8.240 nan 0.000 0.463 148 V N 5.806 125.706 119.914 -0.024 0.000 2.394 148 V HA 0.472 4.593 4.120 0.002 0.000 0.282 148 V C 0.045 176.220 176.094 0.135 0.000 1.031 148 V CA -0.751 61.542 62.300 -0.011 0.000 0.881 148 V CB 1.194 32.904 31.823 -0.188 0.000 0.982 148 V HN 0.782 nan 8.190 nan 0.000 0.451 149 I N 4.082 124.745 120.570 0.155 0.000 2.362 149 I HA 0.590 4.761 4.170 0.002 0.000 0.289 149 I C 0.715 176.959 176.117 0.212 0.000 0.994 149 I CA -0.153 61.249 61.300 0.170 0.000 1.158 149 I CB 1.734 39.779 38.000 0.074 0.000 1.315 149 I HN 0.707 nan 8.210 nan 0.000 0.451 150 G N 7.354 116.245 108.800 0.152 0.000 2.368 150 G HA2 0.745 4.706 3.960 0.002 0.000 0.320 150 G HA3 0.745 4.706 3.960 0.002 0.000 0.320 150 G C -0.738 174.083 174.900 -0.133 0.000 1.158 150 G CA -0.385 44.647 45.100 -0.115 0.000 0.912 150 G HN 0.493 nan 8.290 nan 0.000 0.456 151 I N 1.731 122.266 120.570 -0.058 0.000 2.418 151 I HA 0.381 4.553 4.170 0.002 0.000 0.287 151 I C 0.207 176.315 176.117 -0.015 0.000 1.008 151 I CA -0.500 60.794 61.300 -0.010 0.000 1.104 151 I CB 2.370 40.380 38.000 0.017 0.000 1.264 151 I HN 0.418 nan 8.210 nan 0.000 0.438 152 T N 3.782 118.346 114.554 0.017 0.000 2.926 152 T HA 0.929 5.280 4.350 0.002 0.000 0.289 152 T C -0.420 174.206 174.700 -0.124 0.000 1.054 152 T CA -0.206 61.896 62.100 0.002 0.000 1.015 152 T CB 1.875 70.776 68.868 0.054 0.000 1.167 152 T HN 1.017 nan 8.240 nan 0.000 0.526 153 G N 0.781 109.477 108.800 -0.174 0.000 2.317 153 G HA2 0.129 4.091 3.960 0.002 0.000 0.445 153 G HA3 0.129 4.091 3.960 0.002 0.000 0.445 153 G C 0.486 175.310 174.900 -0.126 0.000 1.486 153 G CA 0.159 45.028 45.100 -0.384 0.000 0.991 153 G HN 0.693 nan 8.290 nan 0.000 0.660 154 T N 0.444 114.939 114.554 -0.099 0.000 2.708 154 T HA 0.124 4.476 4.350 0.002 0.000 0.266 154 T C 1.349 176.077 174.700 0.047 0.000 1.037 154 T CA 2.028 64.184 62.100 0.093 0.000 1.146 154 T CB -0.207 68.742 68.868 0.135 0.000 0.865 154 T HN 0.695 nan 8.240 nan 0.000 0.435 155 S N -1.556 114.123 115.700 -0.035 0.000 2.600 155 S HA 0.553 5.024 4.470 0.002 0.000 0.300 155 S C 1.006 175.607 174.600 0.001 0.000 1.087 155 S CA -0.217 57.969 58.200 -0.024 0.000 0.965 155 S CB 1.816 64.950 63.200 -0.110 0.000 1.089 155 S HN 0.611 nan 8.310 nan 0.000 0.496 156 G N 1.137 109.978 108.800 0.069 0.000 2.179 156 G HA2 -0.279 3.683 3.960 0.002 0.000 0.260 156 G HA3 -0.279 3.683 3.960 0.002 0.000 0.260 156 G C 0.765 175.706 174.900 0.069 0.000 0.977 156 G CA 0.710 45.875 45.100 0.109 0.000 0.641 156 G HN 0.609 nan 8.290 nan 0.000 0.533 157 K N -0.290 120.142 120.400 0.053 0.000 2.002 157 K HA -0.076 4.245 4.320 0.002 0.000 0.209 157 K C 2.665 179.316 176.600 0.085 0.000 1.048 157 K CA 1.899 58.217 56.287 0.052 0.000 0.930 157 K CB -0.406 32.124 32.500 0.051 0.000 0.714 157 K HN 0.394 nan 8.250 nan 0.000 0.438 158 T N 0.882 115.497 114.554 0.102 0.000 2.622 158 T HA -0.144 4.207 4.350 0.002 0.000 0.266 158 T C 1.991 176.796 174.700 0.176 0.000 1.047 158 T CA 2.067 64.249 62.100 0.137 0.000 1.159 158 T CB -0.555 68.354 68.868 0.068 0.000 0.863 158 T HN 0.312 nan 8.240 nan 0.000 0.422 159 T N 1.930 116.542 114.554 0.097 0.000 2.720 159 T HA -0.140 4.211 4.350 0.002 0.000 0.268 159 T C 2.248 177.018 174.700 0.116 0.000 1.037 159 T CA 1.761 63.911 62.100 0.084 0.000 1.144 159 T CB -0.846 68.053 68.868 0.052 0.000 0.864 159 T HN 0.413 nan 8.240 nan 0.000 0.444 160 T N 2.232 116.839 114.554 0.088 0.000 2.777 160 T HA -0.128 4.223 4.350 0.002 0.000 0.266 160 T C 2.547 177.286 174.700 0.064 0.000 1.040 160 T CA 1.827 63.962 62.100 0.058 0.000 1.141 160 T CB -0.802 68.086 68.868 0.033 0.000 0.868 160 T HN 0.733 nan 8.240 nan 0.000 0.444 161 T N -0.196 114.410 114.554 0.086 0.000 2.833 161 T HA -0.134 4.218 4.350 0.002 0.000 0.269 161 T C 1.744 176.442 174.700 -0.003 0.000 1.054 161 T CA 0.985 63.107 62.100 0.038 0.000 1.135 161 T CB -0.824 68.064 68.868 0.034 0.000 0.869 161 T HN 0.437 nan 8.240 nan 0.000 0.466 162 Y N 1.195 121.484 120.300 -0.018 0.000 2.242 162 Y HA 0.195 4.747 4.550 0.002 0.000 0.291 162 Y C 2.386 178.273 175.900 -0.021 0.000 1.137 162 Y CA 0.815 58.901 58.100 -0.023 0.000 1.181 162 Y CB -0.221 38.223 38.460 -0.027 0.000 0.989 162 Y HN 0.159 nan 8.280 nan 0.000 0.527 163 L N -1.571 119.719 121.223 0.113 0.000 2.072 163 L HA -0.183 4.159 4.340 0.002 0.000 0.205 163 L C 2.219 179.091 176.870 0.003 0.000 1.079 163 L CA 0.560 55.430 54.840 0.051 0.000 0.752 163 L CB -0.635 41.447 42.059 0.038 0.000 0.906 163 L HN 0.036 nan 8.230 nan 0.000 0.436 164 V N -0.204 119.703 119.914 -0.012 0.000 2.295 164 V HA -0.284 3.838 4.120 0.002 0.000 0.246 164 V C 2.566 178.631 176.094 -0.048 0.000 1.049 164 V CA 1.917 64.197 62.300 -0.034 0.000 1.024 164 V CB -0.480 31.324 31.823 -0.031 0.000 0.648 164 V HN 0.500 nan 8.190 nan 0.000 0.447 165 E N 0.193 120.347 120.200 -0.077 0.000 2.153 165 E HA -0.208 4.143 4.350 0.002 0.000 0.194 165 E C 2.204 178.758 176.600 -0.076 0.000 0.988 165 E CA 1.404 57.739 56.400 -0.108 0.000 0.811 165 E CB -0.041 29.531 29.700 -0.214 0.000 0.746 165 E HN 0.556 nan 8.360 nan 0.000 0.466 166 A N 0.685 123.478 122.820 -0.046 0.000 1.898 166 A HA -0.041 4.281 4.320 0.002 0.000 0.216 166 A C 2.436 180.008 177.584 -0.020 0.000 1.181 166 A CA 1.646 53.671 52.037 -0.019 0.000 0.620 166 A CB -1.014 17.994 19.000 0.012 0.000 0.819 166 A HN 0.397 nan 8.150 nan 0.000 0.442 167 G N -0.162 108.624 108.800 -0.024 0.000 2.421 167 G HA2 -0.111 3.851 3.960 0.002 0.000 0.216 167 G HA3 -0.111 3.851 3.960 0.002 0.000 0.216 167 G C 1.387 176.271 174.900 -0.026 0.000 1.171 167 G CA 1.117 46.201 45.100 -0.026 0.000 0.775 167 G HN 0.308 nan 8.290 nan 0.000 0.543 168 L N 0.567 121.772 121.223 -0.031 0.000 2.013 168 L HA -0.073 4.269 4.340 0.002 0.000 0.212 168 L C 2.956 179.810 176.870 -0.027 0.000 1.073 168 L CA 1.627 56.449 54.840 -0.030 0.000 0.753 168 L CB -0.999 41.038 42.059 -0.037 0.000 0.890 168 L HN 0.116 nan 8.230 nan 0.000 0.432 169 R N -0.881 119.601 120.500 -0.031 0.000 2.083 169 R HA -0.121 4.221 4.340 0.002 0.000 0.237 169 R C 2.263 178.552 176.300 -0.018 0.000 1.137 169 R CA 1.568 57.653 56.100 -0.026 0.000 0.951 169 R CB -0.808 29.476 30.300 -0.027 0.000 0.851 169 R HN 0.432 nan 8.270 nan 0.000 0.434 170 A N 0.127 122.937 122.820 -0.016 0.000 1.972 170 A HA -0.060 4.262 4.320 0.002 0.000 0.219 170 A C 2.136 179.715 177.584 -0.009 0.000 1.169 170 A CA 1.678 53.709 52.037 -0.011 0.000 0.635 170 A CB -0.686 18.309 19.000 -0.010 0.000 0.810 170 A HN 0.390 nan 8.150 nan 0.000 0.446 171 A N -1.801 121.013 122.820 -0.011 0.000 2.206 171 A HA 0.397 4.719 4.320 0.002 0.000 0.211 171 A C 1.793 179.372 177.584 -0.008 0.000 1.158 171 A CA 1.219 53.252 52.037 -0.008 0.000 0.761 171 A CB -0.939 18.057 19.000 -0.008 0.000 0.801 171 A HN 1.903 nan 8.150 nan 0.000 0.473 172 G N -0.627 108.167 108.800 -0.011 0.000 2.147 172 G HA2 -0.235 3.726 3.960 0.002 0.000 0.244 172 G HA3 -0.235 3.726 3.960 0.002 0.000 0.244 172 G C 0.180 175.073 174.900 -0.012 0.000 1.005 172 G CA 0.119 45.213 45.100 -0.011 0.000 0.713 172 G HN 0.511 nan 8.290 nan 0.000 0.515 173 R N -0.402 120.089 120.500 -0.015 0.000 2.582 173 R HA 0.413 4.755 4.340 0.002 0.000 0.271 173 R C 0.367 176.655 176.300 -0.021 0.000 1.078 173 R CA -0.491 55.599 56.100 -0.016 0.000 1.127 173 R CB 1.146 31.436 30.300 -0.017 0.000 1.038 173 R HN 0.133 nan 8.270 nan 0.000 0.500 174 V N 2.622 122.524 119.914 -0.021 0.000 2.389 174 V HA 0.284 4.405 4.120 0.002 0.000 0.264 174 V C 0.539 176.614 176.094 -0.032 0.000 1.049 174 V CA -0.267 62.018 62.300 -0.026 0.000 0.932 174 V CB 0.669 32.479 31.823 -0.022 0.000 1.011 174 V HN 0.837 nan 8.190 nan 0.000 0.475 175 A N 4.221 127.017 122.820 -0.040 0.000 2.322 175 A HA 0.984 5.305 4.320 0.002 0.000 0.327 175 A C 0.210 177.759 177.584 -0.058 0.000 1.134 175 A CA -0.226 51.782 52.037 -0.049 0.000 0.831 175 A CB 1.801 20.767 19.000 -0.057 0.000 1.288 175 A HN 0.967 nan 8.150 nan 0.000 0.472 176 G N -0.543 108.219 108.800 -0.063 0.000 2.591 176 G HA2 0.581 4.543 3.960 0.002 0.000 0.306 176 G HA3 0.581 4.543 3.960 0.002 0.000 0.306 176 G C -1.558 173.290 174.900 -0.086 0.000 1.334 176 G CA -0.417 44.640 45.100 -0.072 0.000 0.981 176 G HN 1.016 nan 8.290 nan 0.000 0.491 177 L N 1.678 122.835 121.223 -0.109 0.000 2.365 177 L HA 0.831 5.172 4.340 0.002 0.000 0.273 177 L C -1.104 175.711 176.870 -0.092 0.000 1.000 177 L CA -1.032 53.729 54.840 -0.131 0.000 0.819 177 L CB 1.735 43.642 42.059 -0.253 0.000 1.284 177 L HN 0.440 nan 8.230 nan 0.000 0.418 178 I N 4.852 125.388 120.570 -0.057 0.000 2.478 178 I HA 0.789 4.960 4.170 0.002 0.000 0.287 178 I C 0.131 176.247 176.117 -0.002 0.000 1.042 178 I CA -0.297 60.986 61.300 -0.027 0.000 1.067 178 I CB 1.692 39.684 38.000 -0.014 0.000 1.233 178 I HN 0.779 nan 8.210 nan 0.000 0.431 179 G N 2.694 111.499 108.800 0.008 0.000 2.494 179 G HA2 0.230 4.191 3.960 0.002 0.000 0.308 179 G HA3 0.230 4.191 3.960 0.002 0.000 0.308 179 G C 0.165 175.083 174.900 0.029 0.000 1.263 179 G CA -0.105 45.017 45.100 0.035 0.000 0.840 179 G HN 0.362 nan 8.290 nan 0.000 0.479 180 T N 0.587 115.163 114.554 0.036 0.000 2.951 180 T HA 0.009 4.361 4.350 0.002 0.000 0.268 180 T C 2.268 176.940 174.700 -0.045 0.000 1.073 180 T CA 1.381 63.494 62.100 0.022 0.000 1.134 180 T CB -0.085 68.818 68.868 0.057 0.000 0.884 180 T HN 0.300 nan 8.240 nan 0.000 0.479 181 I N 0.464 120.970 120.570 -0.106 0.000 2.584 181 I HA 0.265 4.436 4.170 0.002 0.000 0.255 181 I C 1.560 177.621 176.117 -0.093 0.000 1.145 181 I CA 0.502 61.646 61.300 -0.260 0.000 1.462 181 I CB -0.062 37.726 38.000 -0.353 0.000 1.102 181 I HN 0.453 nan 8.210 nan 0.000 0.433 182 G N 0.272 109.057 108.800 -0.025 0.000 2.350 182 G HA2 0.253 4.214 3.960 0.002 0.000 0.276 182 G HA3 0.253 4.214 3.960 0.002 0.000 0.276 182 G C -1.692 173.198 174.900 -0.017 0.000 1.313 182 G CA -0.850 44.242 45.100 -0.012 0.000 0.903 182 G HN -0.104 nan 8.290 nan 0.000 0.490 183 I N 0.443 120.999 120.570 -0.025 0.000 2.441 183 I HA 0.704 4.876 4.170 0.002 0.000 0.295 183 I C 0.280 176.368 176.117 -0.048 0.000 0.994 183 I CA -0.474 60.802 61.300 -0.040 0.000 1.144 183 I CB 2.063 40.041 38.000 -0.037 0.000 1.314 183 I HN 0.433 nan 8.210 nan 0.000 0.445 184 R N 4.312 124.770 120.500 -0.069 0.000 2.532 184 R HA 0.795 5.137 4.340 0.002 0.000 0.297 184 R C -1.649 174.608 176.300 -0.071 0.000 0.984 184 R CA -0.717 55.339 56.100 -0.074 0.000 0.884 184 R CB 2.419 32.652 30.300 -0.112 0.000 1.182 184 R HN 0.418 nan 8.270 nan 0.000 0.442 185 V N 3.436 123.317 119.914 -0.055 0.000 2.668 185 V HA 0.697 4.819 4.120 0.002 0.000 0.304 185 V C 0.516 176.585 176.094 -0.040 0.000 1.071 185 V CA 0.585 62.856 62.300 -0.050 0.000 0.894 185 V CB 1.218 33.013 31.823 -0.047 0.000 1.008 185 V HN 0.939 nan 8.190 nan 0.000 0.425 186 G N 5.774 114.550 108.800 -0.039 0.000 2.652 186 G HA2 -0.288 3.674 3.960 0.002 0.000 0.318 186 G HA3 -0.288 3.674 3.960 0.002 0.000 0.318 186 G C 1.109 175.992 174.900 -0.028 0.000 1.295 186 G CA 0.633 45.714 45.100 -0.031 0.000 0.999 186 G HN 2.171 nan 8.290 nan 0.000 0.548 187 G N 0.547 109.334 108.800 -0.022 0.000 2.534 187 G HA2 0.483 4.445 3.960 0.002 0.000 0.217 187 G HA3 0.483 4.445 3.960 0.002 0.000 0.217 187 G C 0.856 175.746 174.900 -0.017 0.000 1.128 187 G CA 1.647 46.737 45.100 -0.018 0.000 0.784 187 G HN 1.784 nan 8.290 nan 0.000 0.542 188 A N 0.084 122.892 122.820 -0.021 0.000 2.316 188 A HA 0.558 4.879 4.320 0.002 0.000 0.284 188 A C -0.750 176.821 177.584 -0.023 0.000 1.115 188 A CA -0.461 51.564 52.037 -0.020 0.000 0.812 188 A CB 0.804 19.792 19.000 -0.021 0.000 1.064 188 A HN 0.152 nan 8.150 nan 0.000 0.489 189 D N 1.787 122.177 120.400 -0.017 0.000 2.855 189 D HA 0.544 5.186 4.640 0.002 0.000 0.241 189 D C -1.415 174.879 176.300 -0.011 0.000 1.277 189 D CA -0.148 53.842 54.000 -0.016 0.000 0.918 189 D CB 1.091 41.886 40.800 -0.008 0.000 1.462 189 D HN 0.508 nan 8.370 nan 0.000 0.559 190 L N 1.615 122.830 121.223 -0.014 0.000 2.393 190 L HA 0.747 5.088 4.340 0.002 0.000 0.260 190 L C -2.705 174.160 176.870 -0.008 0.000 1.002 190 L CA -1.935 52.899 54.840 -0.010 0.000 0.818 190 L CB 2.269 44.319 42.059 -0.015 0.000 1.369 190 L HN 0.084 nan 8.230 nan 0.000 0.412 191 P HA 0.394 nan 4.420 nan 0.000 0.278 191 P C -1.120 176.180 177.300 0.001 0.000 1.266 191 P CA -0.467 62.637 63.100 0.006 0.000 0.807 191 P CB 1.701 33.410 31.700 0.015 0.000 1.094 192 S N -1.906 113.797 115.700 0.006 0.000 2.569 192 S HA 0.639 5.110 4.470 0.002 0.000 0.280 192 S C 0.763 175.368 174.600 0.008 0.000 1.111 192 S CA -0.306 57.895 58.200 0.002 0.000 0.887 192 S CB 1.517 64.716 63.200 -0.002 0.000 1.095 192 S HN 0.463 nan 8.310 nan 0.000 0.476 193 A N 1.415 124.235 122.820 0.001 0.000 1.929 193 A HA 0.394 4.716 4.320 0.002 0.000 0.216 193 A C 0.610 178.195 177.584 0.001 0.000 1.176 193 A CA 0.696 52.734 52.037 0.000 0.000 0.628 193 A CB -0.549 18.446 19.000 -0.008 0.000 0.816 193 A HN 0.769 nan 8.150 nan 0.000 0.444 194 L N -3.018 118.203 121.223 -0.004 0.000 2.350 194 L HA 0.330 4.672 4.340 0.002 0.000 0.260 194 L C 1.213 178.085 176.870 0.004 0.000 1.015 194 L CA -0.715 54.117 54.840 -0.012 0.000 0.821 194 L CB 1.764 43.802 42.059 -0.036 0.000 1.370 194 L HN 0.031 nan 8.230 nan 0.000 0.416 195 T N -0.437 114.123 114.554 0.010 0.000 2.684 195 T HA -0.088 4.263 4.350 0.002 0.000 0.267 195 T C 0.540 175.253 174.700 0.021 0.000 1.036 195 T CA 1.526 63.644 62.100 0.030 0.000 1.148 195 T CB -0.101 68.795 68.868 0.046 0.000 0.863 195 T HN 0.624 nan 8.240 nan 0.000 0.436 196 T N 2.877 117.436 114.554 0.008 0.000 2.809 196 T HA 0.468 4.819 4.350 0.002 0.000 0.284 196 T C -2.715 171.986 174.700 0.002 0.000 0.992 196 T CA -1.396 60.714 62.100 0.017 0.000 0.957 196 T CB 2.097 70.984 68.868 0.033 0.000 0.942 196 T HN -0.046 nan 8.240 nan 0.000 0.439 197 P HA 0.177 nan 4.420 nan 0.000 0.272 197 P C 0.169 177.466 177.300 -0.005 0.000 1.240 197 P CA -0.563 62.532 63.100 -0.010 0.000 0.791 197 P CB 0.545 32.233 31.700 -0.019 0.000 0.978 198 E N 0.402 120.597 120.200 -0.008 0.000 2.422 198 E HA 0.013 4.365 4.350 0.002 0.000 0.260 198 E C 1.441 178.040 176.600 -0.002 0.000 1.108 198 E CA 0.099 56.498 56.400 -0.002 0.000 0.943 198 E CB 0.301 30.000 29.700 -0.002 0.000 0.961 198 E HN 0.425 nan 8.360 nan 0.000 0.443 199 A N 4.271 127.094 122.820 0.005 0.000 1.884 199 A HA -0.189 4.133 4.320 0.002 0.000 0.219 199 A C -0.455 177.131 177.584 0.004 0.000 1.197 199 A CA 1.891 53.931 52.037 0.005 0.000 0.637 199 A CB -1.661 17.346 19.000 0.011 0.000 0.827 199 A HN 0.455 nan 8.150 nan 0.000 0.450 200 P HA -0.090 nan 4.420 nan 0.000 0.216 200 P C 1.495 178.783 177.300 -0.021 0.000 1.150 200 P CA 1.838 64.976 63.100 0.064 0.000 0.837 200 P CB -0.240 31.512 31.700 0.086 0.000 0.786 201 T N -0.028 114.504 114.554 -0.037 0.000 2.701 201 T HA -0.118 4.234 4.350 0.002 0.000 0.263 201 T C 1.672 176.298 174.700 -0.124 0.000 1.040 201 T CA 0.932 62.986 62.100 -0.078 0.000 1.147 201 T CB -1.017 67.824 68.868 -0.045 0.000 0.865 201 T HN -0.022 nan 8.240 nan 0.000 0.426 202 L N 1.549 122.720 121.223 -0.087 0.000 1.990 202 L HA -0.159 4.183 4.340 0.002 0.000 0.213 202 L C 2.422 179.200 176.870 -0.155 0.000 1.072 202 L CA 1.867 56.651 54.840 -0.093 0.000 0.755 202 L CB -0.893 41.135 42.059 -0.051 0.000 0.889 202 L HN 0.125 nan 8.230 nan 0.000 0.432 203 Q N -0.283 119.417 119.800 -0.166 0.000 2.096 203 Q HA -0.146 4.195 4.340 0.002 0.000 0.204 203 Q C 2.320 178.017 176.000 -0.504 0.000 0.982 203 Q CA 1.816 57.488 55.803 -0.218 0.000 0.850 203 Q CB -0.832 27.874 28.738 -0.054 0.000 0.901 203 Q HN 0.701 nan 8.270 nan 0.000 0.422 204 A N 0.482 122.841 122.820 -0.768 0.000 1.902 204 A HA -0.160 4.161 4.320 0.002 0.000 0.217 204 A C 2.212 179.550 177.584 -0.410 0.000 1.181 204 A CA 1.524 53.013 52.037 -0.912 0.000 0.623 204 A CB -0.489 18.096 19.000 -0.691 0.000 0.818 204 A HN 0.308 nan 8.150 nan 0.000 0.443 205 M N -0.619 118.823 119.600 -0.263 0.000 2.086 205 M HA -0.116 4.365 4.480 0.002 0.000 0.261 205 M C 2.119 178.333 176.300 -0.144 0.000 1.067 205 M CA 1.497 56.699 55.300 -0.162 0.000 1.116 205 M CB -0.489 32.039 32.600 -0.120 0.000 1.348 205 M HN 0.388 nan 8.290 nan 0.000 0.407 206 L N -0.465 120.666 121.223 -0.152 0.000 2.083 206 L HA -0.177 4.165 4.340 0.002 0.000 0.209 206 L C 2.799 179.607 176.870 -0.104 0.000 1.083 206 L CA 1.099 55.869 54.840 -0.118 0.000 0.752 206 L CB -1.016 40.972 42.059 -0.120 0.000 0.899 206 L HN 0.314 nan 8.230 nan 0.000 0.433 207 A N 0.254 122.991 122.820 -0.138 0.000 1.902 207 A HA -0.187 4.134 4.320 0.002 0.000 0.217 207 A C 2.560 180.106 177.584 -0.063 0.000 1.181 207 A CA 1.869 53.856 52.037 -0.084 0.000 0.623 207 A CB -0.689 18.260 19.000 -0.085 0.000 0.818 207 A HN 0.403 nan 8.150 nan 0.000 0.443 208 A N -0.759 122.007 122.820 -0.090 0.000 1.873 208 A HA -0.108 4.213 4.320 0.002 0.000 0.215 208 A C 2.247 179.802 177.584 -0.049 0.000 1.186 208 A CA 1.808 53.809 52.037 -0.060 0.000 0.616 208 A CB -0.569 18.389 19.000 -0.070 0.000 0.823 208 A HN 0.512 nan 8.150 nan 0.000 0.442 209 M N -0.655 118.910 119.600 -0.059 0.000 2.089 209 M HA -0.204 4.277 4.480 0.002 0.000 0.257 209 M C 2.100 178.378 176.300 -0.038 0.000 1.071 209 M CA 1.789 57.060 55.300 -0.049 0.000 1.096 209 M CB -0.537 32.029 32.600 -0.057 0.000 1.330 209 M HN 0.274 nan 8.290 nan 0.000 0.403 210 V N 0.242 120.135 119.914 -0.036 0.000 2.343 210 V HA -0.275 3.846 4.120 0.002 0.000 0.247 210 V C 2.067 178.152 176.094 -0.016 0.000 1.051 210 V CA 2.038 64.324 62.300 -0.023 0.000 1.036 210 V CB -0.756 31.057 31.823 -0.016 0.000 0.654 210 V HN 0.502 nan 8.190 nan 0.000 0.451 211 E N 0.296 120.487 120.200 -0.015 0.000 2.110 211 E HA -0.204 4.148 4.350 0.002 0.000 0.193 211 E C 2.374 178.967 176.600 -0.013 0.000 0.988 211 E CA 1.475 57.869 56.400 -0.010 0.000 0.804 211 E CB -0.262 29.433 29.700 -0.007 0.000 0.745 211 E HN 0.640 nan 8.360 nan 0.000 0.458 212 R N 0.831 121.320 120.500 -0.019 0.000 2.328 212 R HA 0.106 4.447 4.340 0.002 0.000 0.200 212 R C 1.553 177.842 176.300 -0.019 0.000 0.983 212 R CA 0.939 57.028 56.100 -0.019 0.000 1.062 212 R CB -1.120 29.166 30.300 -0.024 0.000 0.956 212 R HN 0.339 nan 8.270 nan 0.000 0.479 213 G N -0.261 108.529 108.800 -0.018 0.000 2.198 213 G HA2 -0.199 3.763 3.960 0.002 0.000 0.260 213 G HA3 -0.199 3.763 3.960 0.002 0.000 0.260 213 G C 0.312 175.201 174.900 -0.020 0.000 1.025 213 G CA 0.264 45.354 45.100 -0.016 0.000 0.769 213 G HN 0.691 nan 8.290 nan 0.000 0.507 214 V N 1.241 121.140 119.914 -0.025 0.000 2.740 214 V HA 0.298 4.420 4.120 0.002 0.000 0.303 214 V C 1.488 177.566 176.094 -0.026 0.000 1.054 214 V CA 0.865 63.148 62.300 -0.029 0.000 1.106 214 V CB 1.512 33.313 31.823 -0.036 0.000 0.957 214 V HN 0.602 nan 8.190 nan 0.000 0.486 215 D N 1.226 121.611 120.400 -0.025 0.000 2.473 215 D HA 0.043 4.684 4.640 0.002 0.000 0.230 215 D C 0.346 176.633 176.300 -0.022 0.000 1.097 215 D CA 0.178 54.165 54.000 -0.021 0.000 0.861 215 D CB 1.119 41.909 40.800 -0.016 0.000 1.114 215 D HN 0.548 nan 8.370 nan 0.000 0.500 216 T N 0.456 114.995 114.554 -0.025 0.000 2.912 216 T HA 0.512 4.863 4.350 0.002 0.000 0.299 216 T C -0.905 173.776 174.700 -0.031 0.000 1.052 216 T CA -0.563 61.523 62.100 -0.024 0.000 0.996 216 T CB 2.834 71.691 68.868 -0.018 0.000 1.070 216 T HN -0.117 nan 8.240 nan 0.000 0.465 217 V N 2.443 122.341 119.914 -0.027 0.000 2.525 217 V HA 0.609 4.731 4.120 0.002 0.000 0.299 217 V C -0.402 175.687 176.094 -0.008 0.000 1.034 217 V CA -0.826 61.456 62.300 -0.030 0.000 0.863 217 V CB 1.849 33.649 31.823 -0.039 0.000 0.999 217 V HN 0.717 nan 8.190 nan 0.000 0.423 218 V N 6.796 126.698 119.914 -0.020 0.000 2.547 218 V HA 0.718 4.839 4.120 0.002 0.000 0.299 218 V C -0.406 175.692 176.094 0.007 0.000 1.040 218 V CA -0.284 62.016 62.300 -0.001 0.000 0.913 218 V CB 1.730 33.537 31.823 -0.027 0.000 0.992 218 V HN 0.924 nan 8.190 nan 0.000 0.449 219 M N 4.796 124.427 119.600 0.051 0.000 2.326 219 M HA 0.482 4.964 4.480 0.002 0.000 0.292 219 M C -0.786 175.548 176.300 0.057 0.000 1.081 219 M CA -0.477 54.864 55.300 0.069 0.000 0.919 219 M CB 2.563 35.256 32.600 0.156 0.000 1.634 219 M HN 0.644 nan 8.290 nan 0.000 0.451 220 E N 2.188 122.417 120.200 0.048 0.000 2.324 220 E HA 0.251 4.602 4.350 0.002 0.000 0.271 220 E C -1.034 175.589 176.600 0.039 0.000 1.028 220 E CA -0.160 56.266 56.400 0.043 0.000 0.890 220 E CB 1.107 30.840 29.700 0.055 0.000 1.004 220 E HN 0.290 nan 8.360 nan 0.000 0.431 221 V N 3.719 123.636 119.914 0.005 0.000 2.326 221 V HA 0.098 4.220 4.120 0.002 0.000 0.281 221 V C 0.262 176.359 176.094 0.004 0.000 1.015 221 V CA -0.697 61.596 62.300 -0.012 0.000 0.823 221 V CB 1.012 32.752 31.823 -0.138 0.000 1.009 221 V HN 0.713 nan 8.190 nan 0.000 0.436 222 S N 3.029 118.746 115.700 0.029 0.000 2.603 222 S HA 0.190 4.662 4.470 0.002 0.000 0.268 222 S C 1.527 176.171 174.600 0.072 0.000 1.317 222 S CA 0.124 58.351 58.200 0.045 0.000 1.012 222 S CB 1.471 64.683 63.200 0.021 0.000 0.926 222 S HN 0.994 nan 8.310 nan 0.000 0.539 223 S N 0.652 116.428 115.700 0.127 0.000 2.419 223 S HA -0.207 4.264 4.470 0.002 0.000 0.233 223 S C 1.465 176.185 174.600 0.202 0.000 1.016 223 S CA 1.377 59.713 58.200 0.227 0.000 0.974 223 S CB -1.064 62.426 63.200 0.482 0.000 0.786 223 S HN 0.872 nan 8.310 nan 0.000 0.492 224 H N 1.965 120.988 119.070 -0.077 0.000 2.353 224 H HA 0.185 4.743 4.556 0.003 0.000 0.300 224 H C 2.547 177.820 175.328 -0.091 0.000 1.090 224 H CA 1.731 57.603 56.048 -0.293 0.000 1.327 224 H CB -0.590 28.861 29.762 -0.518 0.000 1.383 224 H HN 0.577 nan 8.280 nan 0.000 0.508 225 A N 0.412 123.282 122.820 0.083 0.000 1.902 225 A HA -0.126 4.196 4.320 0.002 0.000 0.217 225 A C 2.323 179.956 177.584 0.083 0.000 1.181 225 A CA 1.358 53.435 52.037 0.066 0.000 0.623 225 A CB -0.738 18.294 19.000 0.054 0.000 0.818 225 A HN 0.316 nan 8.150 nan 0.000 0.443 226 L N -0.728 120.548 121.223 0.088 0.000 1.976 226 L HA -0.172 4.170 4.340 0.002 0.000 0.209 226 L C 3.115 180.058 176.870 0.122 0.000 1.071 226 L CA 1.192 56.083 54.840 0.084 0.000 0.746 226 L CB -0.702 41.388 42.059 0.052 0.000 0.890 226 L HN 0.392 nan 8.230 nan 0.000 0.432 227 A N -0.070 122.867 122.820 0.196 0.000 1.948 227 A HA -0.180 4.142 4.320 0.002 0.000 0.220 227 A C 2.083 179.783 177.584 0.193 0.000 1.177 227 A CA 1.782 53.967 52.037 0.246 0.000 0.636 227 A CB -0.710 18.566 19.000 0.460 0.000 0.815 227 A HN 0.443 nan 8.150 nan 0.000 0.449 228 L N -1.799 119.524 121.223 0.167 0.000 2.667 228 L HA 0.314 4.656 4.340 0.002 0.000 0.232 228 L C 1.490 178.408 176.870 0.080 0.000 1.138 228 L CA 0.410 55.328 54.840 0.131 0.000 0.921 228 L CB 0.160 42.291 42.059 0.121 0.000 1.180 228 L HN 0.558 nan 8.230 nan 0.000 0.487 229 G N 0.488 109.334 108.800 0.076 0.000 2.143 229 G HA2 -0.312 3.650 3.960 0.002 0.000 0.249 229 G HA3 -0.312 3.650 3.960 0.002 0.000 0.249 229 G C 1.112 176.041 174.900 0.049 0.000 0.981 229 G CA 0.394 45.528 45.100 0.057 0.000 0.665 229 G HN 0.361 nan 8.290 nan 0.000 0.528 230 R N -0.297 120.235 120.500 0.053 0.000 2.127 230 R HA 0.006 4.348 4.340 0.002 0.000 0.238 230 R C 2.379 178.714 176.300 0.059 0.000 1.134 230 R CA 1.800 57.927 56.100 0.045 0.000 0.975 230 R CB -0.188 30.136 30.300 0.040 0.000 0.865 230 R HN 0.978 nan 8.270 nan 0.000 0.447 231 V N -2.475 117.495 119.914 0.093 0.000 3.177 231 V HA 0.148 4.269 4.120 0.002 0.000 0.342 231 V C 0.552 176.709 176.094 0.105 0.000 1.379 231 V CA 0.071 62.453 62.300 0.137 0.000 1.191 231 V CB 0.507 32.524 31.823 0.323 0.000 1.167 231 V HN -0.104 nan 8.190 nan 0.000 0.471 232 D N 3.308 123.747 120.400 0.064 0.000 2.123 232 D HA -0.064 4.578 4.640 0.002 0.000 0.196 232 D C 2.013 178.336 176.300 0.037 0.000 0.992 232 D CA 2.188 56.219 54.000 0.052 0.000 0.833 232 D CB -0.197 40.624 40.800 0.036 0.000 0.954 232 D HN 0.625 nan 8.370 nan 0.000 0.455 233 G N -0.585 108.227 108.800 0.019 0.000 3.383 233 G HA2 0.088 4.050 3.960 0.002 0.000 0.251 233 G HA3 0.088 4.050 3.960 0.002 0.000 0.251 233 G C 0.016 174.907 174.900 -0.016 0.000 1.203 233 G CA -0.102 45.012 45.100 0.024 0.000 0.852 233 G HN 0.055 nan 8.290 nan 0.000 0.531 234 T N 1.029 115.529 114.554 -0.089 0.000 2.767 234 T HA 0.427 4.779 4.350 0.002 0.000 0.284 234 T C -0.105 174.398 174.700 -0.328 0.000 0.973 234 T CA -0.552 61.383 62.100 -0.275 0.000 0.996 234 T CB 1.583 70.141 68.868 -0.517 0.000 0.927 234 T HN 0.055 nan 8.240 nan 0.000 0.456 235 R N 2.239 122.573 120.500 -0.276 0.000 2.242 235 R HA 0.358 4.700 4.340 0.002 0.000 0.334 235 R C -0.810 175.307 176.300 -0.305 0.000 1.071 235 R CA -0.268 55.718 56.100 -0.190 0.000 0.922 235 R CB -0.390 29.852 30.300 -0.097 0.000 1.023 235 R HN 0.467 nan 8.270 nan 0.000 0.458 236 F N 1.434 121.362 119.950 -0.035 0.000 2.424 236 F HA 0.258 4.786 4.527 0.002 0.000 0.356 236 F C 1.374 177.153 175.800 -0.035 0.000 1.110 236 F CA -0.314 57.660 58.000 -0.044 0.000 1.161 236 F CB 1.307 40.263 39.000 -0.074 0.000 1.115 236 F HN 0.654 nan 8.300 nan 0.000 0.507 237 A N 3.053 125.949 122.820 0.126 0.000 1.929 237 A HA 0.190 4.511 4.320 0.002 0.000 0.216 237 A C 0.461 178.101 177.584 0.093 0.000 1.176 237 A CA 0.871 52.956 52.037 0.081 0.000 0.628 237 A CB -0.052 18.976 19.000 0.046 0.000 0.816 237 A HN 0.419 nan 8.150 nan 0.000 0.444 238 V N -1.132 118.854 119.914 0.120 0.000 2.709 238 V HA 0.658 4.779 4.120 0.002 0.000 0.308 238 V C 0.084 176.213 176.094 0.058 0.000 1.062 238 V CA -0.219 62.134 62.300 0.088 0.000 0.901 238 V CB 1.594 33.461 31.823 0.073 0.000 1.003 238 V HN 0.423 nan 8.190 nan 0.000 0.425 239 G N 2.017 110.816 108.800 -0.002 0.000 2.513 239 G HA2 0.820 4.781 3.960 0.002 0.000 0.317 239 G HA3 0.820 4.781 3.960 0.002 0.000 0.317 239 G C -0.913 174.091 174.900 0.173 0.000 1.277 239 G CA -0.291 44.725 45.100 -0.141 0.000 0.955 239 G HN 1.174 nan 8.290 nan 0.000 0.484 240 A N 1.284 124.243 122.820 0.232 0.000 2.414 240 A HA 0.798 5.120 4.320 0.002 0.000 0.306 240 A C -1.817 176.031 177.584 0.440 0.000 1.054 240 A CA -0.688 51.558 52.037 0.349 0.000 0.724 240 A CB 1.713 20.802 19.000 0.149 0.000 1.267 240 A HN 1.064 nan 8.150 nan 0.000 0.418 241 F N 2.316 122.334 119.950 0.115 0.000 2.460 241 F HA 0.443 4.972 4.527 0.003 0.000 0.341 241 F C 1.361 177.133 175.800 -0.046 0.000 1.130 241 F CA 0.139 58.114 58.000 -0.042 0.000 0.962 241 F CB 2.045 40.754 39.000 -0.486 0.000 1.171 241 F HN 0.689 nan 8.300 nan 0.000 0.436 242 T N 1.383 115.655 114.554 -0.470 0.000 2.814 242 T HA 0.219 4.571 4.350 0.002 0.000 0.254 242 T C 0.037 174.506 174.700 -0.385 0.000 1.037 242 T CA 1.144 63.063 62.100 -0.302 0.000 1.143 242 T CB -0.448 68.303 68.868 -0.195 0.000 0.866 242 T HN 0.744 nan 8.240 nan 0.000 0.431 243 N N -0.824 117.375 118.700 -0.835 0.000 3.856 243 N HA 0.458 5.200 4.740 0.002 0.000 0.237 243 N C -2.260 173.020 175.510 -0.385 0.000 1.351 243 N CA -1.035 51.792 53.050 -0.373 0.000 0.805 243 N CB 0.880 39.288 38.487 -0.132 0.000 1.487 243 N HN 0.352 nan 8.380 nan 0.000 0.431 244 L N -0.041 121.174 121.223 -0.013 0.000 2.526 244 L HA 0.872 5.214 4.340 0.002 0.000 0.263 244 L C -1.401 175.519 176.870 0.083 0.000 0.943 244 L CA 0.147 55.013 54.840 0.044 0.000 0.859 244 L CB 1.987 44.155 42.059 0.181 0.000 1.313 244 L HN 1.100 nan 8.230 nan 0.000 0.406 245 S N 2.392 118.161 115.700 0.115 0.000 2.685 245 S HA 0.674 5.145 4.470 0.002 0.000 0.282 245 S C -1.047 173.671 174.600 0.198 0.000 1.159 245 S CA -1.208 57.058 58.200 0.109 0.000 0.833 245 S CB 1.496 64.717 63.200 0.035 0.000 1.151 245 S HN 0.802 nan 8.310 nan 0.000 0.485 246 R N 0.872 121.448 120.500 0.127 0.000 2.421 246 R HA 0.562 4.903 4.340 0.002 0.000 0.305 246 R C -1.176 175.150 176.300 0.043 0.000 1.039 246 R CA 0.048 56.223 56.100 0.124 0.000 1.003 246 R CB -0.309 30.029 30.300 0.064 0.000 0.959 246 R HN 0.681 nan 8.270 nan 0.000 0.427 247 D N 0.227 120.622 120.400 -0.007 0.000 2.639 247 D HA 0.171 4.813 4.640 0.002 0.000 0.271 247 D C -0.344 175.732 176.300 -0.373 0.000 1.254 247 D CA -0.418 53.449 54.000 -0.222 0.000 0.810 247 D CB 0.907 41.612 40.800 -0.159 0.000 1.351 247 D HN 0.710 nan 8.370 nan 0.000 0.427 248 H N 0.731 119.665 119.070 -0.226 0.000 2.822 248 H HA -0.165 4.392 4.556 0.002 0.000 0.295 248 H C 0.993 176.252 175.328 -0.114 0.000 1.151 248 H CA 0.578 56.525 56.048 -0.170 0.000 1.151 248 H CB -1.465 28.177 29.762 -0.199 0.000 1.343 248 H HN 0.336 nan 8.280 nan 0.000 0.382 249 L N 0.973 122.177 121.223 -0.032 0.000 2.610 249 L HA -0.055 4.286 4.340 0.002 0.000 0.232 249 L C 1.946 178.830 176.870 0.024 0.000 1.149 249 L CA 1.011 55.857 54.840 0.010 0.000 0.872 249 L CB -0.027 42.030 42.059 -0.003 0.000 0.992 249 L HN 0.305 nan 8.230 nan 0.000 0.447 250 D N -1.251 119.176 120.400 0.045 0.000 2.349 250 D HA -0.121 4.521 4.640 0.002 0.000 0.214 250 D C 1.563 177.930 176.300 0.112 0.000 1.063 250 D CA 0.214 54.250 54.000 0.059 0.000 0.847 250 D CB 0.269 41.102 40.800 0.056 0.000 0.933 250 D HN 0.381 nan 8.370 nan 0.000 0.513 251 F N 1.043 120.942 119.950 -0.085 0.000 2.532 251 F HA 0.166 4.696 4.527 0.005 0.000 0.276 251 F C 0.605 176.267 175.800 -0.231 0.000 0.911 251 F CA -0.181 57.699 58.000 -0.199 0.000 1.196 251 F CB 0.308 39.057 39.000 -0.419 0.000 1.087 251 F HN -0.226 nan 8.300 nan 0.000 0.775 252 H N 2.459 121.438 119.070 -0.152 0.000 2.646 252 H HA 0.191 4.748 4.556 0.002 0.000 0.325 252 H C -1.754 173.494 175.328 -0.133 0.000 1.075 252 H CA -1.803 54.113 56.048 -0.219 0.000 1.421 252 H CB 0.782 30.541 29.762 -0.006 0.000 1.461 252 H HN 0.102 nan 8.280 nan 0.000 0.525 253 P HA -0.090 nan 4.420 nan 0.000 0.225 253 P C -0.011 177.306 177.300 0.029 0.000 1.148 253 P CA 0.871 63.962 63.100 -0.015 0.000 0.779 253 P CB 0.544 32.223 31.700 -0.035 0.000 0.780 254 S N -4.026 111.716 115.700 0.070 0.000 2.611 254 S HA 0.327 4.798 4.470 0.002 0.000 0.268 254 S C 0.616 175.293 174.600 0.128 0.000 1.156 254 S CA -0.786 57.460 58.200 0.076 0.000 0.817 254 S CB 0.273 63.504 63.200 0.052 0.000 1.122 254 S HN -0.346 nan 8.310 nan 0.000 0.466 255 M N 1.155 120.833 119.600 0.131 0.000 2.202 255 M HA -0.033 4.448 4.480 0.002 0.000 0.262 255 M C 2.349 178.758 176.300 0.182 0.000 1.063 255 M CA 2.236 57.654 55.300 0.196 0.000 1.097 255 M CB -2.045 30.636 32.600 0.135 0.000 1.382 255 M HN 0.957 nan 8.290 nan 0.000 0.413 256 A N 0.192 123.079 122.820 0.112 0.000 1.855 256 A HA -0.170 4.151 4.320 0.002 0.000 0.215 256 A C 1.922 179.587 177.584 0.136 0.000 1.191 256 A CA 1.816 53.915 52.037 0.103 0.000 0.613 256 A CB -0.727 18.306 19.000 0.054 0.000 0.829 256 A HN 0.371 nan 8.150 nan 0.000 0.442 257 D N -1.527 118.931 120.400 0.096 0.000 2.149 257 D HA -0.174 4.468 4.640 0.002 0.000 0.198 257 D C 1.679 177.951 176.300 -0.047 0.000 0.990 257 D CA 1.516 55.548 54.000 0.054 0.000 0.839 257 D CB -0.402 40.438 40.800 0.066 0.000 0.948 257 D HN 0.522 nan 8.370 nan 0.000 0.460 258 Y N 0.690 120.844 120.300 -0.243 0.000 2.114 258 Y HA -0.226 4.325 4.550 0.001 0.000 0.284 258 Y C 2.175 177.987 175.900 -0.146 0.000 1.143 258 Y CA 1.057 58.884 58.100 -0.455 0.000 1.135 258 Y CB -1.113 37.275 38.460 -0.121 0.000 0.980 258 Y HN -0.038 nan 8.280 nan 0.000 0.499 259 F N 1.061 120.914 119.950 -0.161 0.000 2.095 259 F HA -0.230 4.298 4.527 0.001 0.000 0.298 259 F C 2.270 178.015 175.800 -0.091 0.000 1.104 259 F CA 2.162 60.065 58.000 -0.162 0.000 1.232 259 F CB -0.186 38.754 39.000 -0.100 0.000 0.987 259 F HN 0.033 nan 8.300 nan 0.000 0.475 260 E N 1.129 121.343 120.200 0.023 0.000 2.077 260 E HA -0.094 4.257 4.350 0.002 0.000 0.193 260 E C 1.493 178.040 176.600 -0.089 0.000 0.989 260 E CA 0.829 57.209 56.400 -0.032 0.000 0.800 260 E CB -1.072 28.662 29.700 0.057 0.000 0.746 260 E HN 0.418 nan 8.360 nan 0.000 0.452 264 S N 0.084 115.739 115.700 -0.075 0.000 2.413 264 S HA -0.226 4.246 4.470 0.002 0.000 0.237 264 S C 1.549 176.048 174.600 -0.169 0.000 1.044 264 S CA 1.993 60.144 58.200 -0.082 0.000 1.024 264 S CB -0.240 62.923 63.200 -0.062 0.000 0.829 264 S HN 0.553 nan 8.310 nan 0.000 0.475 265 L N -0.695 120.319 121.223 -0.349 0.000 2.509 265 L HA 0.343 4.684 4.340 0.002 0.000 0.222 265 L C 0.742 177.109 176.870 -0.838 0.000 1.123 265 L CA 1.182 55.598 54.840 -0.707 0.000 0.856 265 L CB -0.192 41.200 42.059 -1.112 0.000 0.985 265 L HN 0.218 nan 8.230 nan 0.000 0.456 266 F N -2.671 117.220 119.950 -0.098 0.000 2.699 266 F HA 0.248 4.776 4.527 0.002 0.000 0.295 266 F C 0.965 176.728 175.800 -0.063 0.000 1.052 266 F CA -0.921 57.028 58.000 -0.085 0.000 1.239 266 F CB -0.182 38.739 39.000 -0.131 0.000 1.018 266 F HN -0.195 nan 8.300 nan 0.000 0.627 267 D N 3.267 123.723 120.400 0.094 0.000 2.487 267 D HA -0.007 4.635 4.640 0.002 0.000 0.243 267 D C -1.806 174.515 176.300 0.036 0.000 1.154 267 D CA -1.011 53.020 54.000 0.052 0.000 0.876 267 D CB 1.575 42.391 40.800 0.027 0.000 1.161 267 D HN -0.003 nan 8.370 nan 0.000 0.478 268 P HA -0.104 nan 4.420 nan 0.000 0.215 268 P C 0.507 177.820 177.300 0.021 0.000 1.153 268 P CA 0.944 64.063 63.100 0.031 0.000 0.853 268 P CB 0.286 32.005 31.700 0.032 0.000 0.788 269 D N -1.171 119.241 120.400 0.020 0.000 2.363 269 D HA -0.004 4.637 4.640 0.002 0.000 0.226 269 D C 0.736 177.044 176.300 0.013 0.000 1.020 269 D CA 0.563 54.573 54.000 0.016 0.000 0.892 269 D CB -0.301 40.509 40.800 0.017 0.000 0.900 269 D HN 0.129 nan 8.370 nan 0.000 0.531 270 S N 0.101 115.807 115.700 0.010 0.000 2.564 270 S HA 0.298 4.769 4.470 0.002 0.000 0.278 270 S C 1.479 176.083 174.600 0.006 0.000 1.333 270 S CA -0.162 58.041 58.200 0.004 0.000 1.048 270 S CB 1.527 64.721 63.200 -0.009 0.000 0.900 270 S HN 0.153 nan 8.310 nan 0.000 0.505 271 A N 4.493 127.320 122.820 0.012 0.000 2.032 271 A HA -0.015 4.307 4.320 0.002 0.000 0.221 271 A C 1.728 179.328 177.584 0.026 0.000 1.165 271 A CA 1.384 53.432 52.037 0.019 0.000 0.645 271 A CB -0.575 18.439 19.000 0.024 0.000 0.807 271 A HN 0.849 nan 8.150 nan 0.000 0.453 272 L N -0.809 120.424 121.223 0.017 0.000 2.628 272 L HA 0.172 4.513 4.340 0.002 0.000 0.229 272 L C 0.842 177.705 176.870 -0.012 0.000 1.137 272 L CA -0.587 54.273 54.840 0.034 0.000 0.909 272 L CB -0.010 42.060 42.059 0.019 0.000 1.137 272 L HN 0.189 nan 8.230 nan 0.000 0.470 273 R N 2.398 122.882 120.500 -0.027 0.000 2.494 273 R HA 0.058 4.400 4.340 0.002 0.000 0.291 273 R C 0.046 176.334 176.300 -0.019 0.000 0.953 273 R CA 0.249 56.320 56.100 -0.049 0.000 1.098 273 R CB 0.002 30.296 30.300 -0.009 0.000 0.911 273 R HN 0.198 nan 8.270 nan 0.000 0.407 274 A N 5.068 127.842 122.820 -0.077 0.000 2.407 274 A HA 0.231 4.553 4.320 0.002 0.000 0.248 274 A C 1.082 178.686 177.584 0.033 0.000 1.082 274 A CA -0.438 51.605 52.037 0.010 0.000 0.785 274 A CB 0.494 19.456 19.000 -0.065 0.000 1.020 274 A HN 0.832 nan 8.150 nan 0.000 0.489 275 R N 0.183 120.718 120.500 0.058 0.000 2.112 275 R HA -0.133 4.209 4.340 0.002 0.000 0.242 275 R C 0.967 177.296 176.300 0.049 0.000 1.137 275 R CA 2.191 58.318 56.100 0.046 0.000 0.944 275 R CB -0.712 29.614 30.300 0.043 0.000 0.857 275 R HN 0.950 nan 8.270 nan 0.000 0.435 276 T N -2.519 112.071 114.554 0.060 0.000 2.893 276 T HA 0.705 5.057 4.350 0.002 0.000 0.293 276 T C -1.232 173.530 174.700 0.102 0.000 1.027 276 T CA -0.531 61.612 62.100 0.072 0.000 0.988 276 T CB 2.188 71.094 68.868 0.063 0.000 1.043 276 T HN 0.213 nan 8.240 nan 0.000 0.461 277 A N 3.063 125.967 122.820 0.140 0.000 2.303 277 A HA 0.742 5.064 4.320 0.002 0.000 0.320 277 A C -0.547 177.159 177.584 0.203 0.000 1.192 277 A CA -0.712 51.468 52.037 0.239 0.000 0.821 277 A CB 1.195 20.389 19.000 0.322 0.000 1.188 277 A HN 0.907 nan 8.150 nan 0.000 0.492 278 V N 3.336 123.384 119.914 0.223 0.000 2.384 278 V HA 0.497 4.618 4.120 0.002 0.000 0.287 278 V C -0.521 175.657 176.094 0.141 0.000 1.020 278 V CA -0.388 62.008 62.300 0.161 0.000 0.850 278 V CB 1.447 33.337 31.823 0.111 0.000 0.987 278 V HN 0.641 nan 8.190 nan 0.000 0.436 279 V N 4.256 124.226 119.914 0.092 0.000 2.525 279 V HA 0.277 4.398 4.120 0.002 0.000 0.299 279 V C -0.023 176.125 176.094 0.089 0.000 1.034 279 V CA -0.631 61.690 62.300 0.034 0.000 0.863 279 V CB 1.840 33.579 31.823 -0.141 0.000 0.999 279 V HN 1.007 nan 8.190 nan 0.000 0.423 280 C N 6.940 126.326 119.300 0.145 0.000 2.629 280 C HA 0.336 4.798 4.460 0.002 0.000 0.410 280 C C 1.283 176.347 174.990 0.124 0.000 1.339 280 C CA -0.368 58.724 59.018 0.123 0.000 1.810 280 C CB -1.188 26.614 27.740 0.103 0.000 2.549 280 C HN 0.672 nan 8.230 nan 0.000 0.589 281 I N 4.526 125.138 120.570 0.071 0.000 3.378 281 I HA 0.147 4.318 4.170 0.002 0.000 0.133 281 I C 1.680 177.833 176.117 0.060 0.000 1.403 281 I CA 0.843 62.170 61.300 0.046 0.000 0.943 281 I CB -0.832 37.179 38.000 0.019 0.000 1.661 281 I HN 0.691 nan 8.210 nan 0.000 0.907 282 D N -0.759 119.663 120.400 0.037 0.000 2.554 282 D HA -0.177 4.465 4.640 0.002 0.000 0.178 282 D C 0.026 176.348 176.300 0.037 0.000 1.054 282 D CA 1.655 55.676 54.000 0.035 0.000 1.052 282 D CB -0.729 40.096 40.800 0.042 0.000 1.112 282 D HN 0.555 nan 8.370 nan 0.000 0.448 283 D N -0.839 119.592 120.400 0.051 0.000 2.738 283 D HA 0.214 4.856 4.640 0.002 0.000 0.237 283 D C 0.542 176.864 176.300 0.036 0.000 1.123 283 D CA -0.487 53.548 54.000 0.059 0.000 0.856 283 D CB 1.665 42.539 40.800 0.124 0.000 1.552 283 D HN -0.325 nan 8.370 nan 0.000 0.480 284 D N 1.954 122.361 120.400 0.011 0.000 2.106 284 D HA -0.159 4.482 4.640 0.002 0.000 0.191 284 D C 1.766 178.039 176.300 -0.045 0.000 0.997 284 D CA 1.911 55.895 54.000 -0.028 0.000 0.834 284 D CB -0.146 40.627 40.800 -0.045 0.000 0.956 284 D HN 0.526 nan 8.370 nan 0.000 0.448 285 A N 0.562 123.382 122.820 -0.000 0.000 1.908 285 A HA -0.101 4.221 4.320 0.002 0.000 0.218 285 A C 2.403 180.005 177.584 0.029 0.000 1.181 285 A CA 2.428 54.488 52.037 0.039 0.000 0.627 285 A CB -1.227 17.923 19.000 0.250 0.000 0.818 285 A HN 0.327 nan 8.150 nan 0.000 0.445 286 G N -0.890 107.989 108.800 0.131 0.000 2.440 286 G HA2 -0.283 3.678 3.960 0.002 0.000 0.218 286 G HA3 -0.283 3.678 3.960 0.002 0.000 0.218 286 G C 1.760 176.592 174.900 -0.112 0.000 1.154 286 G CA 1.162 46.289 45.100 0.046 0.000 0.767 286 G HN 0.552 nan 8.290 nan 0.000 0.552 287 R N 0.261 120.728 120.500 -0.055 0.000 2.115 287 R HA 0.115 4.456 4.340 0.002 0.000 0.230 287 R C 2.880 179.125 176.300 -0.091 0.000 1.111 287 R CA 1.236 57.297 56.100 -0.065 0.000 0.976 287 R CB -0.241 30.032 30.300 -0.046 0.000 0.870 287 R HN 0.326 nan 8.270 nan 0.000 0.445 288 A N 0.124 122.881 122.820 -0.105 0.000 1.929 288 A HA -0.115 4.207 4.320 0.002 0.000 0.216 288 A C 2.010 179.584 177.584 -0.017 0.000 1.176 288 A CA 0.959 52.946 52.037 -0.083 0.000 0.628 288 A CB -0.240 18.629 19.000 -0.218 0.000 0.816 288 A HN 0.191 nan 8.150 nan 0.000 0.444 289 M N -0.252 119.255 119.600 -0.155 0.000 2.117 289 M HA -0.093 4.388 4.480 0.002 0.000 0.262 289 M C 2.522 178.635 176.300 -0.312 0.000 1.065 289 M CA 1.494 56.546 55.300 -0.414 0.000 1.114 289 M CB -1.496 30.419 32.600 -1.142 0.000 1.361 289 M HN 0.485 nan 8.290 nan 0.000 0.408 290 A N 0.339 123.015 122.820 -0.240 0.000 1.865 290 A HA -0.116 4.206 4.320 0.002 0.000 0.217 290 A C 2.427 179.974 177.584 -0.062 0.000 1.191 290 A CA 2.612 54.573 52.037 -0.127 0.000 0.623 290 A CB -1.161 17.794 19.000 -0.074 0.000 0.826 290 A HN 0.488 nan 8.150 nan 0.000 0.444 291 A N -0.548 122.241 122.820 -0.051 0.000 1.917 291 A HA -0.231 4.090 4.320 0.002 0.000 0.219 291 A C 2.191 179.770 177.584 -0.007 0.000 1.182 291 A CA 2.427 54.451 52.037 -0.022 0.000 0.633 291 A CB -0.497 18.489 19.000 -0.023 0.000 0.819 291 A HN 0.486 nan 8.150 nan 0.000 0.448 292 R N -0.023 120.470 120.500 -0.012 0.000 2.080 292 R HA -0.068 4.274 4.340 0.002 0.000 0.236 292 R C 2.210 178.525 176.300 0.026 0.000 1.137 292 R CA 2.032 58.140 56.100 0.013 0.000 0.943 292 R CB -0.927 29.380 30.300 0.012 0.000 0.846 292 R HN 0.420 nan 8.270 nan 0.000 0.431 293 A N -0.626 122.207 122.820 0.021 0.000 2.070 293 A HA 0.143 4.465 4.320 0.002 0.000 0.220 293 A C 1.842 179.460 177.584 0.055 0.000 1.159 293 A CA 1.969 54.049 52.037 0.073 0.000 0.656 293 A CB -0.628 18.435 19.000 0.105 0.000 0.800 293 A HN 0.702 nan 8.150 nan 0.000 0.453 294 A N -0.527 122.315 122.820 0.035 0.000 4.320 294 A HA -0.311 4.011 4.320 0.002 0.000 0.253 294 A C 0.803 178.417 177.584 0.049 0.000 0.699 294 A CA 2.197 54.256 52.037 0.036 0.000 1.188 294 A CB -2.108 16.912 19.000 0.033 0.000 1.126 294 A HN 1.215 nan 8.150 nan 0.000 0.699 295 D N -1.560 118.876 120.400 0.060 0.000 2.908 295 D HA 0.609 5.250 4.640 0.002 0.000 0.361 295 D C -0.024 176.327 176.300 0.084 0.000 1.416 295 D CA 0.667 54.708 54.000 0.068 0.000 0.796 295 D CB -0.607 40.222 40.800 0.049 0.000 1.185 295 D HN 1.227 nan 8.370 nan 0.000 0.451 296 A N 0.494 123.376 122.820 0.103 0.000 2.407 296 A HA 0.474 4.796 4.320 0.002 0.000 0.248 296 A C 0.399 178.093 177.584 0.184 0.000 1.082 296 A CA -0.435 51.676 52.037 0.123 0.000 0.785 296 A CB 0.220 19.269 19.000 0.081 0.000 1.020 296 A HN 0.418 nan 8.150 nan 0.000 0.489 297 I N 2.340 123.016 120.570 0.176 0.000 2.436 297 I HA 0.147 4.318 4.170 0.002 0.000 0.289 297 I C 1.050 177.406 176.117 0.399 0.000 1.083 297 I CA 0.198 61.665 61.300 0.279 0.000 1.372 297 I CB 0.625 38.742 38.000 0.195 0.000 1.408 297 I HN 0.775 nan 8.210 nan 0.000 0.516 298 T N 3.462 118.367 114.554 0.585 0.000 2.928 298 T HA 0.702 5.053 4.350 0.002 0.000 0.284 298 T C -0.375 174.470 174.700 0.242 0.000 1.008 298 T CA -0.727 61.513 62.100 0.232 0.000 1.057 298 T CB 2.004 70.897 68.868 0.042 0.000 1.018 298 T HN 0.222 nan 8.240 nan 0.000 0.493 299 V N 1.733 121.746 119.914 0.165 0.000 2.623 299 V HA 0.726 4.848 4.120 0.002 0.000 0.304 299 V C -0.514 175.645 176.094 0.109 0.000 1.054 299 V CA -0.695 61.712 62.300 0.178 0.000 0.882 299 V CB 2.027 33.925 31.823 0.125 0.000 1.002 299 V HN 1.165 nan 8.190 nan 0.000 0.424 300 S N 3.281 119.045 115.700 0.108 0.000 2.619 300 S HA 0.730 5.202 4.470 0.002 0.000 0.280 300 S C 0.274 174.902 174.600 0.046 0.000 1.150 300 S CA 0.299 58.536 58.200 0.061 0.000 0.978 300 S CB 1.915 65.140 63.200 0.041 0.000 1.041 300 S HN 1.109 nan 8.310 nan 0.000 0.485 301 A N 3.237 126.063 122.820 0.010 0.000 2.387 301 A HA 0.677 4.999 4.320 0.002 0.000 0.234 301 A C 1.041 178.613 177.584 -0.020 0.000 1.253 301 A CA 0.394 52.410 52.037 -0.035 0.000 0.894 301 A CB -0.066 18.875 19.000 -0.099 0.000 0.963 301 A HN 1.259 nan 8.150 nan 0.000 0.508 302 A N -0.700 122.122 122.820 0.003 0.000 2.749 302 A HA 0.520 4.842 4.320 0.002 0.000 0.299 302 A C 0.220 177.809 177.584 0.010 0.000 1.105 302 A CA 0.444 52.485 52.037 0.006 0.000 0.987 302 A CB -0.327 18.680 19.000 0.011 0.000 1.180 302 A HN 0.287 nan 8.150 nan 0.000 0.528 303 D N -0.494 119.913 120.400 0.013 0.000 3.041 303 D HA -0.145 4.496 4.640 0.002 0.000 0.220 303 D C 0.276 176.581 176.300 0.008 0.000 1.157 303 D CA 1.359 55.367 54.000 0.013 0.000 0.876 303 D CB -0.914 39.892 40.800 0.011 0.000 1.107 303 D HN 0.760 nan 8.370 nan 0.000 0.422 304 R N 0.100 120.604 120.500 0.007 0.000 2.598 304 R HA 0.653 4.995 4.340 0.002 0.000 0.279 304 R C -2.426 173.870 176.300 -0.008 0.000 0.984 304 R CA -1.763 54.336 56.100 -0.002 0.000 0.999 304 R CB 0.556 30.853 30.300 -0.004 0.000 1.114 304 R HN -0.011 nan 8.270 nan 0.000 0.493 305 P HA 0.232 nan 4.420 nan 0.000 0.276 305 P C -1.294 175.965 177.300 -0.070 0.000 1.235 305 P CA -0.155 62.921 63.100 -0.039 0.000 0.772 305 P CB 1.371 33.044 31.700 -0.046 0.000 0.871 306 A N 1.956 124.729 122.820 -0.078 0.000 2.599 306 A HA 0.431 4.752 4.320 0.002 0.000 0.290 306 A C 0.667 178.175 177.584 -0.126 0.000 1.101 306 A CA -0.491 51.471 52.037 -0.127 0.000 0.674 306 A CB 0.397 19.399 19.000 0.002 0.000 1.277 306 A HN 0.570 nan 8.150 nan 0.000 0.419 307 H N -0.997 118.123 119.070 0.084 0.000 2.387 307 H HA -0.065 4.492 4.556 0.002 0.000 0.299 307 H C -0.486 174.796 175.328 -0.077 0.000 1.090 307 H CA 1.522 57.582 56.048 0.020 0.000 1.332 307 H CB 0.074 29.886 29.762 0.084 0.000 1.386 307 H HN 0.579 nan 8.280 nan 0.000 0.516 308 W N 0.755 122.140 121.300 0.141 0.000 2.632 308 W HA 0.495 5.156 4.660 0.002 0.000 0.328 308 W C -0.114 176.453 176.519 0.080 0.000 1.044 308 W CA -0.661 56.753 57.345 0.115 0.000 1.225 308 W CB 1.217 30.749 29.460 0.120 0.000 1.396 308 W HN -0.235 nan 8.180 nan 0.000 0.499 309 R N 1.646 122.319 120.500 0.287 0.000 2.795 309 R HA 0.845 5.187 4.340 0.002 0.000 0.275 309 R C -0.822 175.616 176.300 0.230 0.000 0.981 309 R CA -0.976 55.239 56.100 0.192 0.000 0.917 309 R CB 1.910 32.273 30.300 0.104 0.000 1.202 309 R HN 0.486 nan 8.270 nan 0.000 0.469 310 A N 0.861 123.776 122.820 0.159 0.000 2.317 310 A HA 0.718 5.039 4.320 0.002 0.000 0.327 310 A C -0.400 177.267 177.584 0.138 0.000 1.178 310 A CA -0.423 51.725 52.037 0.185 0.000 0.817 310 A CB 0.963 19.924 19.000 -0.065 0.000 1.189 310 A HN 0.742 nan 8.150 nan 0.000 0.489 311 T N -1.390 113.279 114.554 0.191 0.000 2.841 311 T HA 0.585 4.937 4.350 0.002 0.000 0.296 311 T C -0.823 173.971 174.700 0.156 0.000 1.166 311 T CA -0.193 61.981 62.100 0.125 0.000 1.007 311 T CB 1.339 70.255 68.868 0.081 0.000 1.253 311 T HN 0.699 nan 8.240 nan 0.000 0.511 312 D N -0.383 120.084 120.400 0.111 0.000 2.699 312 D HA -0.134 4.507 4.640 0.002 0.000 0.239 312 D C 0.164 176.561 176.300 0.161 0.000 1.136 312 D CA 0.811 54.882 54.000 0.118 0.000 0.668 312 D CB -1.633 39.234 40.800 0.112 0.000 1.060 312 D HN 0.850 nan 8.370 nan 0.000 0.429 313 V N -0.700 119.298 119.914 0.141 0.000 2.439 313 V HA 0.524 4.645 4.120 0.002 0.000 0.271 313 V C 0.199 176.359 176.094 0.110 0.000 1.040 313 V CA 0.338 62.727 62.300 0.149 0.000 1.002 313 V CB 0.859 32.722 31.823 0.068 0.000 1.000 313 V HN 0.367 nan 8.190 nan 0.000 0.477 314 A N 8.738 131.635 122.820 0.128 0.000 2.356 314 A HA 0.951 5.272 4.320 0.002 0.000 0.310 314 A C -2.829 174.805 177.584 0.082 0.000 1.075 314 A CA -1.825 50.267 52.037 0.091 0.000 0.746 314 A CB 1.858 20.910 19.000 0.085 0.000 1.221 314 A HN 0.754 nan 8.150 nan 0.000 0.443 315 P HA 0.441 nan 4.420 nan 0.000 0.276 315 P C -0.242 177.083 177.300 0.042 0.000 1.244 315 P CA 0.086 63.215 63.100 0.049 0.000 0.801 315 P CB 1.294 33.018 31.700 0.040 0.000 1.006 316 T N -2.333 112.242 114.554 0.035 0.000 2.916 316 T HA 0.362 4.713 4.350 0.002 0.000 0.292 316 T C -0.192 174.518 174.700 0.017 0.000 1.055 316 T CA -0.782 61.332 62.100 0.024 0.000 1.009 316 T CB 0.908 69.787 68.868 0.019 0.000 1.118 316 T HN 0.178 nan 8.240 nan 0.000 0.497 317 D N 0.566 120.973 120.400 0.011 0.000 2.370 317 D HA 0.349 4.990 4.640 0.002 0.000 0.235 317 D C 1.218 177.519 176.300 0.001 0.000 1.228 317 D CA 1.524 55.528 54.000 0.005 0.000 0.884 317 D CB 0.105 40.906 40.800 0.001 0.000 1.201 317 D HN 1.287 nan 8.370 nan 0.000 0.456 318 A N 1.377 124.193 122.820 -0.007 0.000 2.822 318 A HA -0.003 4.319 4.320 0.002 0.000 0.287 318 A C 1.395 178.975 177.584 -0.006 0.000 1.479 318 A CA 1.686 53.715 52.037 -0.013 0.000 0.779 318 A CB -2.123 16.869 19.000 -0.013 0.000 1.022 318 A HN 1.710 nan 8.150 nan 0.000 0.532 319 G N -2.637 106.163 108.800 0.001 0.000 2.321 319 G HA2 0.123 4.085 3.960 0.002 0.000 0.287 319 G HA3 0.123 4.085 3.960 0.002 0.000 0.287 319 G C 1.401 176.307 174.900 0.011 0.000 1.018 319 G CA 1.313 46.418 45.100 0.008 0.000 0.855 319 G HN 2.530 nan 8.290 nan 0.000 0.507 320 G N -1.838 106.971 108.800 0.016 0.000 2.820 320 G HA2 0.726 4.688 3.960 0.002 0.000 0.291 320 G HA3 0.726 4.688 3.960 0.002 0.000 0.291 320 G C -0.564 174.359 174.900 0.040 0.000 1.323 320 G CA -0.262 44.853 45.100 0.024 0.000 1.055 320 G HN 0.573 nan 8.290 nan 0.000 0.520 321 Q N -0.976 118.862 119.800 0.064 0.000 2.309 321 Q HA 0.429 4.771 4.340 0.002 0.000 0.273 321 Q C -1.333 174.762 176.000 0.159 0.000 1.040 321 Q CA -0.656 55.211 55.803 0.107 0.000 0.834 321 Q CB 2.221 31.023 28.738 0.108 0.000 1.345 321 Q HN 0.703 nan 8.270 nan 0.000 0.414 322 Q N 2.819 122.724 119.800 0.175 0.000 2.347 322 Q HA 0.736 5.077 4.340 0.002 0.000 0.271 322 Q C -1.302 174.872 176.000 0.289 0.000 1.064 322 Q CA -0.808 55.098 55.803 0.170 0.000 0.800 322 Q CB 1.859 30.636 28.738 0.064 0.000 1.304 322 Q HN 0.517 nan 8.270 nan 0.000 0.438 323 F N -1.989 118.025 119.950 0.106 0.000 2.715 323 F HA 0.727 5.256 4.527 0.003 0.000 0.318 323 F C -1.156 174.716 175.800 0.120 0.000 1.141 323 F CA -1.098 56.963 58.000 0.102 0.000 0.950 323 F CB 1.624 40.666 39.000 0.071 0.000 1.374 323 F HN 0.344 nan 8.300 nan 0.000 0.477 324 T N 1.756 116.427 114.554 0.196 0.000 2.767 324 T HA 0.688 5.040 4.350 0.002 0.000 0.284 324 T C -0.356 174.490 174.700 0.244 0.000 0.973 324 T CA -0.339 61.781 62.100 0.033 0.000 0.996 324 T CB 1.110 69.946 68.868 -0.054 0.000 0.927 324 T HN 0.876 nan 8.240 nan 0.000 0.456 325 A N 4.288 127.226 122.820 0.197 0.000 2.260 325 A HA 0.694 5.015 4.320 0.002 0.000 0.314 325 A C -0.076 177.718 177.584 0.351 0.000 1.257 325 A CA -0.716 51.572 52.037 0.419 0.000 0.871 325 A CB 0.050 19.348 19.000 0.497 0.000 1.166 325 A HN 0.893 nan 8.150 nan 0.000 0.522 326 I N 3.315 124.045 120.570 0.266 0.000 2.304 326 I HA 0.212 4.383 4.170 0.002 0.000 0.291 326 I C -0.145 175.904 176.117 -0.113 0.000 1.018 326 I CA -0.720 60.626 61.300 0.076 0.000 1.260 326 I CB 1.251 39.264 38.000 0.021 0.000 1.390 326 I HN 0.809 nan 8.210 nan 0.000 0.475 327 D N 7.482 127.683 120.400 -0.333 0.000 2.398 327 D HA 0.173 4.814 4.640 0.002 0.000 0.247 327 D C -2.046 173.847 176.300 -0.679 0.000 1.227 327 D CA -2.019 51.347 54.000 -1.057 0.000 0.980 327 D CB 0.112 40.432 40.800 -0.800 0.000 1.106 327 D HN 0.153 nan 8.370 nan 0.000 0.493 328 P HA -0.049 nan 4.420 nan 0.000 0.221 328 P C 0.889 178.087 177.300 -0.170 0.000 1.145 328 P CA 1.843 64.764 63.100 -0.299 0.000 0.795 328 P CB -0.104 31.464 31.700 -0.220 0.000 0.775 329 A N -0.990 121.721 122.820 -0.181 0.000 2.208 329 A HA 0.390 4.711 4.320 0.002 0.000 0.209 329 A C 1.723 179.249 177.584 -0.097 0.000 1.161 329 A CA 0.946 52.921 52.037 -0.104 0.000 0.782 329 A CB -1.156 17.796 19.000 -0.079 0.000 0.816 329 A HN 0.249 nan 8.150 nan 0.000 0.477 330 G N -1.347 107.376 108.800 -0.127 0.000 2.141 330 G HA2 -0.109 3.853 3.960 0.002 0.000 0.242 330 G HA3 -0.109 3.853 3.960 0.002 0.000 0.242 330 G C 0.378 175.212 174.900 -0.110 0.000 0.982 330 G CA 0.412 45.450 45.100 -0.102 0.000 0.662 330 G HN 1.689 nan 8.290 nan 0.000 0.527 331 V N 0.660 120.493 119.914 -0.135 0.000 2.465 331 V HA 0.837 4.959 4.120 0.002 0.000 0.279 331 V C 0.829 176.746 176.094 -0.295 0.000 1.045 331 V CA 0.411 62.592 62.300 -0.199 0.000 0.938 331 V CB 1.361 33.065 31.823 -0.198 0.000 0.986 331 V HN 1.214 nan 8.190 nan 0.000 0.467 332 G N 4.588 113.201 108.800 -0.311 0.000 2.395 332 G HA2 0.575 4.536 3.960 0.002 0.000 0.283 332 G HA3 0.575 4.536 3.960 0.002 0.000 0.283 332 G C -1.114 173.485 174.900 -0.502 0.000 1.178 332 G CA -0.409 44.524 45.100 -0.278 0.000 0.837 332 G HN 0.991 nan 8.290 nan 0.000 0.518 333 H N -0.237 118.793 119.070 -0.066 0.000 2.589 333 H HA 0.295 4.852 4.556 0.002 0.000 0.351 333 H C -0.542 174.708 175.328 -0.131 0.000 1.074 333 H CA -0.749 55.266 56.048 -0.055 0.000 1.203 333 H CB 1.405 31.191 29.762 0.039 0.000 1.558 333 H HN 0.448 nan 8.280 nan 0.000 0.522 334 H N 3.655 122.743 119.070 0.030 0.000 3.015 334 H HA 0.081 4.639 4.556 0.003 0.000 0.268 334 H C -0.155 175.094 175.328 -0.133 0.000 1.113 334 H CA 0.098 56.109 56.048 -0.061 0.000 1.479 334 H CB 0.043 29.782 29.762 -0.038 0.000 1.493 334 H HN 0.387 nan 8.280 nan 0.000 0.486 335 I N 2.703 123.161 120.570 -0.186 0.000 2.412 335 I HA 0.321 4.493 4.170 0.002 0.000 0.296 335 I C 1.081 177.024 176.117 -0.291 0.000 0.987 335 I CA -0.698 60.380 61.300 -0.369 0.000 1.180 335 I CB 1.628 39.110 38.000 -0.863 0.000 1.340 335 I HN 0.506 nan 8.210 nan 0.000 0.455 336 G N 6.369 115.089 108.800 -0.133 0.000 2.566 336 G HA2 0.736 4.697 3.960 0.002 0.000 0.311 336 G HA3 0.736 4.697 3.960 0.002 0.000 0.311 336 G C -1.364 173.539 174.900 0.005 0.000 1.322 336 G CA -0.434 44.641 45.100 -0.042 0.000 0.969 336 G HN 0.558 nan 8.290 nan 0.000 0.490 337 I N 1.726 122.331 120.570 0.058 0.000 2.656 337 I HA 0.468 4.639 4.170 0.002 0.000 0.292 337 I C 0.541 176.687 176.117 0.048 0.000 1.144 337 I CA -1.226 60.117 61.300 0.072 0.000 1.038 337 I CB 2.475 40.563 38.000 0.146 0.000 1.244 337 I HN 0.611 nan 8.210 nan 0.000 0.420 338 R N 4.761 125.277 120.500 0.027 0.000 2.307 338 R HA 0.261 4.602 4.340 0.002 0.000 0.199 338 R C -0.382 175.920 176.300 0.003 0.000 1.000 338 R CA 0.462 56.569 56.100 0.012 0.000 1.023 338 R CB 0.011 30.314 30.300 0.006 0.000 0.908 338 R HN 0.510 nan 8.270 nan 0.000 0.473 339 L N 1.736 122.958 121.223 -0.003 0.000 2.322 339 L HA 0.488 4.829 4.340 0.002 0.000 0.279 339 L C -2.242 174.597 176.870 -0.051 0.000 1.036 339 L CA -2.387 52.433 54.840 -0.034 0.000 0.807 339 L CB 1.419 43.441 42.059 -0.062 0.000 1.226 339 L HN -0.124 nan 8.230 nan 0.000 0.433 340 P HA 0.542 nan 4.420 nan 0.000 0.283 340 P C -0.372 176.844 177.300 -0.140 0.000 1.278 340 P CA -0.341 62.725 63.100 -0.058 0.000 0.834 340 P CB 1.743 33.438 31.700 -0.010 0.000 1.150 341 G N -1.424 107.312 108.800 -0.105 0.000 2.784 341 G HA2 0.124 4.086 3.960 0.002 0.000 0.686 341 G HA3 0.124 4.086 3.960 0.002 0.000 0.686 341 G C 0.772 175.567 174.900 -0.175 0.000 1.156 341 G CA -0.074 44.952 45.100 -0.124 0.000 0.757 341 G HN 0.558 nan 8.290 nan 0.000 0.642 342 R N 0.609 121.076 120.500 -0.054 0.000 2.105 342 R HA -0.055 4.286 4.340 0.002 0.000 0.239 342 R C 2.480 178.742 176.300 -0.064 0.000 1.135 342 R CA 3.085 59.152 56.100 -0.055 0.000 0.967 342 R CB -1.453 28.853 30.300 0.011 0.000 0.861 342 R HN 1.950 nan 8.270 nan 0.000 0.442 343 Y N -0.324 119.946 120.300 -0.050 0.000 2.439 343 Y HA 0.125 4.676 4.550 0.003 0.000 0.292 343 Y C 1.679 177.547 175.900 -0.054 0.000 1.130 343 Y CA 0.594 58.665 58.100 -0.049 0.000 1.254 343 Y CB -0.107 38.334 38.460 -0.031 0.000 1.000 343 Y HN 0.138 nan 8.280 nan 0.000 0.554 344 N N 0.626 118.878 118.700 -0.748 0.000 2.409 344 N HA -0.068 4.673 4.740 0.002 0.000 0.179 344 N C 1.732 177.084 175.510 -0.263 0.000 1.032 344 N CA 1.032 53.788 53.050 -0.491 0.000 0.898 344 N CB -0.011 38.176 38.487 -0.500 0.000 0.971 344 N HN 0.374 nan 8.380 nan 0.000 0.441 345 V N 1.104 120.836 119.914 -0.303 0.000 2.427 345 V HA -0.140 3.982 4.120 0.002 0.000 0.248 345 V C 2.342 178.240 176.094 -0.326 0.000 1.051 345 V CA 1.679 63.703 62.300 -0.461 0.000 1.048 345 V CB -0.761 30.675 31.823 -0.645 0.000 0.666 345 V HN 0.247 nan 8.190 nan 0.000 0.456 346 A N 0.378 123.091 122.820 -0.177 0.000 1.898 346 A HA -0.208 4.114 4.320 0.002 0.000 0.216 346 A C 2.071 179.630 177.584 -0.042 0.000 1.181 346 A CA 1.881 53.874 52.037 -0.073 0.000 0.620 346 A CB -0.644 18.356 19.000 -0.001 0.000 0.819 346 A HN 0.567 nan 8.150 nan 0.000 0.442 347 N N -0.320 118.358 118.700 -0.037 0.000 2.104 347 N HA -0.165 4.576 4.740 0.002 0.000 0.190 347 N C 1.764 177.262 175.510 -0.020 0.000 1.024 347 N CA 1.527 54.568 53.050 -0.015 0.000 0.853 347 N CB -0.972 37.511 38.487 -0.008 0.000 1.008 347 N HN 0.581 nan 8.380 nan 0.000 0.424 348 C N 0.714 120.006 119.300 -0.014 0.000 2.457 348 C HA 0.130 4.591 4.460 0.002 0.000 0.278 348 C C 2.688 177.692 174.990 0.025 0.000 1.309 348 C CA 0.019 59.069 59.018 0.053 0.000 1.735 348 C CB -1.184 26.681 27.740 0.207 0.000 1.992 348 C HN 0.374 nan 8.230 nan 0.000 0.493 349 L N 0.350 121.579 121.223 0.011 0.000 2.012 349 L HA -0.133 4.209 4.340 0.002 0.000 0.210 349 L C 2.654 179.393 176.870 -0.217 0.000 1.073 349 L CA 1.543 56.349 54.840 -0.057 0.000 0.748 349 L CB -0.766 41.310 42.059 0.029 0.000 0.891 349 L HN 0.226 nan 8.230 nan 0.000 0.431 350 V N 0.177 120.021 119.914 -0.117 0.000 2.282 350 V HA -0.357 3.764 4.120 0.002 0.000 0.249 350 V C 2.791 178.791 176.094 -0.157 0.000 1.057 350 V CA 1.926 64.157 62.300 -0.113 0.000 1.032 350 V CB -1.053 30.750 31.823 -0.034 0.000 0.645 350 V HN 0.521 nan 8.190 nan 0.000 0.447 351 A N -0.143 122.605 122.820 -0.120 0.000 1.873 351 A HA -0.237 4.085 4.320 0.002 0.000 0.218 351 A C 2.233 179.689 177.584 -0.213 0.000 1.193 351 A CA 2.300 54.268 52.037 -0.116 0.000 0.629 351 A CB -0.682 18.282 19.000 -0.060 0.000 0.826 351 A HN 0.514 nan 8.150 nan 0.000 0.447 352 L N -0.941 120.081 121.223 -0.336 0.000 2.046 352 L HA -0.214 4.127 4.340 0.002 0.000 0.208 352 L C 3.129 179.516 176.870 -0.806 0.000 1.077 352 L CA 1.119 55.623 54.840 -0.559 0.000 0.747 352 L CB -0.609 41.036 42.059 -0.689 0.000 0.896 352 L HN 0.460 nan 8.230 nan 0.000 0.432 353 A N 0.325 122.547 122.820 -0.996 0.000 1.883 353 A HA -0.204 4.118 4.320 0.002 0.000 0.217 353 A C 2.226 179.696 177.584 -0.191 0.000 1.186 353 A CA 1.689 53.310 52.037 -0.693 0.000 0.624 353 A CB -0.699 17.972 19.000 -0.548 0.000 0.822 353 A HN 0.338 nan 8.150 nan 0.000 0.444 354 I N -0.436 120.040 120.570 -0.157 0.000 2.127 354 I HA -0.289 3.883 4.170 0.002 0.000 0.241 354 I C 2.462 178.552 176.117 -0.046 0.000 1.075 354 I CA 1.381 62.647 61.300 -0.056 0.000 1.334 354 I CB -0.403 37.572 38.000 -0.041 0.000 1.040 354 I HN 0.302 nan 8.210 nan 0.000 0.405 355 L N 0.274 121.446 121.223 -0.084 0.000 2.013 355 L HA -0.300 4.042 4.340 0.002 0.000 0.212 355 L C 2.246 179.107 176.870 -0.015 0.000 1.073 355 L CA 1.841 56.648 54.840 -0.054 0.000 0.753 355 L CB -0.689 41.324 42.059 -0.078 0.000 0.890 355 L HN 0.315 nan 8.230 nan 0.000 0.432 356 D N -0.406 119.994 120.400 0.000 0.000 2.104 356 D HA -0.210 4.432 4.640 0.002 0.000 0.194 356 D C 2.149 178.504 176.300 0.092 0.000 0.994 356 D CA 1.917 55.977 54.000 0.099 0.000 0.830 356 D CB 0.065 41.037 40.800 0.286 0.000 0.959 356 D HN 0.357 nan 8.370 nan 0.000 0.452 357 T N -2.341 112.264 114.554 0.085 0.000 3.007 357 T HA -0.070 4.281 4.350 0.002 0.000 0.270 357 T C 1.765 176.492 174.700 0.046 0.000 1.107 357 T CA 0.646 62.788 62.100 0.071 0.000 1.118 357 T CB -0.240 68.672 68.868 0.072 0.000 0.889 357 T HN 0.005 nan 8.240 nan 0.000 0.506 358 V N 0.960 120.894 119.914 0.033 0.000 3.596 358 V HA 0.467 4.588 4.120 0.002 0.000 0.289 358 V C 1.621 177.726 176.094 0.019 0.000 1.336 358 V CA 0.526 62.840 62.300 0.022 0.000 1.137 358 V CB -0.624 31.207 31.823 0.014 0.000 0.966 358 V HN 0.886 nan 8.190 nan 0.000 0.428 359 G N 0.474 109.290 108.800 0.027 0.000 2.171 359 G HA2 -0.179 3.782 3.960 0.002 0.000 0.238 359 G HA3 -0.179 3.782 3.960 0.002 0.000 0.238 359 G C -0.113 174.798 174.900 0.018 0.000 1.039 359 G CA 0.161 45.276 45.100 0.025 0.000 0.759 359 G HN 0.468 nan 8.290 nan 0.000 0.501 360 V N 1.425 121.349 119.914 0.016 0.000 2.443 360 V HA 0.685 4.806 4.120 0.002 0.000 0.293 360 V C 0.778 176.877 176.094 0.009 0.000 1.021 360 V CA -0.236 62.068 62.300 0.006 0.000 0.848 360 V CB 1.614 33.431 31.823 -0.009 0.000 0.998 360 V HN 0.962 nan 8.190 nan 0.000 0.424 361 S N 5.339 121.046 115.700 0.012 0.000 2.617 361 S HA 0.422 4.893 4.470 0.002 0.000 0.269 361 S C -1.737 172.843 174.600 -0.033 0.000 1.292 361 S CA -1.105 57.100 58.200 0.009 0.000 1.010 361 S CB 1.365 64.578 63.200 0.021 0.000 0.944 361 S HN 0.462 nan 8.310 nan 0.000 0.536 362 P HA -0.181 nan 4.420 nan 0.000 0.216 362 P C 1.479 178.747 177.300 -0.053 0.000 1.153 362 P CA 1.441 64.460 63.100 -0.136 0.000 0.858 362 P CB -0.063 31.394 31.700 -0.404 0.000 0.789 363 E N 0.325 120.519 120.200 -0.009 0.000 2.058 363 E HA -0.231 4.121 4.350 0.002 0.000 0.194 363 E C 1.973 178.582 176.600 0.015 0.000 0.997 363 E CA 1.357 57.779 56.400 0.035 0.000 0.801 363 E CB -1.256 28.483 29.700 0.064 0.000 0.746 363 E HN 0.450 nan 8.360 nan 0.000 0.450 364 Q N 0.336 120.140 119.800 0.006 0.000 2.167 364 Q HA 0.023 4.365 4.340 0.002 0.000 0.202 364 Q C 2.100 178.096 176.000 -0.007 0.000 0.970 364 Q CA 1.397 57.201 55.803 0.002 0.000 0.855 364 Q CB -0.099 28.640 28.738 0.001 0.000 0.911 364 Q HN 0.378 nan 8.270 nan 0.000 0.438 365 A N 0.018 122.828 122.820 -0.017 0.000 2.021 365 A HA -0.024 4.297 4.320 0.002 0.000 0.216 365 A C 2.121 179.693 177.584 -0.019 0.000 1.163 365 A CA 0.408 52.431 52.037 -0.024 0.000 0.676 365 A CB -0.334 18.642 19.000 -0.041 0.000 0.818 365 A HN 0.225 nan 8.150 nan 0.000 0.453 366 V N 0.751 120.655 119.914 -0.016 0.000 2.515 366 V HA -0.094 4.028 4.120 0.002 0.000 0.250 366 V C -0.615 175.473 176.094 -0.010 0.000 1.058 366 V CA 2.216 64.507 62.300 -0.016 0.000 1.064 366 V CB -0.646 31.169 31.823 -0.012 0.000 0.675 366 V HN 0.367 nan 8.190 nan 0.000 0.461 367 P HA -0.102 nan 4.420 nan 0.000 0.215 367 P C 1.591 178.889 177.300 -0.003 0.000 1.153 367 P CA 1.793 64.891 63.100 -0.004 0.000 0.853 367 P CB -0.383 31.315 31.700 -0.003 0.000 0.788 368 G N -1.247 107.551 108.800 -0.004 0.000 2.534 368 G HA2 -0.146 3.816 3.960 0.002 0.000 0.217 368 G HA3 -0.146 3.816 3.960 0.002 0.000 0.217 368 G C 1.208 176.112 174.900 0.007 0.000 1.128 368 G CA 0.382 45.482 45.100 0.000 0.000 0.784 368 G HN 0.138 nan 8.290 nan 0.000 0.542 369 L N -0.060 121.165 121.223 0.003 0.000 2.202 369 L HA 0.296 4.637 4.340 0.002 0.000 0.205 369 L C 2.584 179.462 176.870 0.014 0.000 1.083 369 L CA 0.769 55.616 54.840 0.012 0.000 0.790 369 L CB -0.878 41.184 42.059 0.005 0.000 0.942 369 L HN 0.194 nan 8.230 nan 0.000 0.452 370 R N 0.806 121.308 120.500 0.004 0.000 2.185 370 R HA -0.211 4.130 4.340 0.002 0.000 0.247 370 R C 1.303 177.607 176.300 0.007 0.000 1.159 370 R CA 2.018 58.119 56.100 0.002 0.000 0.988 370 R CB 0.153 30.450 30.300 -0.006 0.000 0.871 370 R HN 0.665 nan 8.270 nan 0.000 0.458 371 E N -1.293 118.913 120.200 0.009 0.000 2.676 371 E HA 0.116 4.467 4.350 0.002 0.000 0.225 371 E C 0.144 176.754 176.600 0.017 0.000 0.944 371 E CA -0.406 56.000 56.400 0.010 0.000 1.156 371 E CB -0.000 29.703 29.700 0.006 0.000 1.117 371 E HN 0.223 nan 8.360 nan 0.000 0.523 372 I N 3.325 123.911 120.570 0.027 0.000 2.529 372 I HA 0.105 4.277 4.170 0.002 0.000 0.284 372 I C -0.139 175.995 176.117 0.028 0.000 1.082 372 I CA -0.617 60.709 61.300 0.043 0.000 1.406 372 I CB 0.513 38.559 38.000 0.078 0.000 1.405 372 I HN 0.113 nan 8.210 nan 0.000 0.548 373 R N 7.929 128.439 120.500 0.017 0.000 2.514 373 R HA 0.465 4.807 4.340 0.002 0.000 0.301 373 R C -1.785 174.465 176.300 -0.084 0.000 0.962 373 R CA -0.603 55.483 56.100 -0.024 0.000 0.882 373 R CB 1.523 31.808 30.300 -0.026 0.000 1.143 373 R HN 0.435 nan 8.270 nan 0.000 0.452 374 V N 3.483 123.297 119.914 -0.167 0.000 2.394 374 V HA 0.484 4.606 4.120 0.002 0.000 0.282 374 V C -2.501 173.390 176.094 -0.338 0.000 1.031 374 V CA -2.437 59.607 62.300 -0.428 0.000 0.881 374 V CB 1.441 33.002 31.823 -0.437 0.000 0.982 374 V HN 0.717 nan 8.190 nan 0.000 0.451 375 P HA 0.336 nan 4.420 nan 0.000 0.271 375 P C 0.837 178.037 177.300 -0.168 0.000 1.233 375 P CA 1.302 64.259 63.100 -0.239 0.000 0.764 375 P CB 0.876 32.410 31.700 -0.277 0.000 0.825 376 G N 2.797 111.570 108.800 -0.046 0.000 2.168 376 G HA2 -0.247 3.714 3.960 0.002 0.000 0.263 376 G HA3 -0.247 3.714 3.960 0.002 0.000 0.263 376 G C 0.131 175.070 174.900 0.065 0.000 0.977 376 G CA -0.313 44.813 45.100 0.043 0.000 0.659 376 G HN 0.515 nan 8.290 nan 0.000 0.533 377 R N -0.265 120.237 120.500 0.005 0.000 2.396 377 R HA 0.498 4.840 4.340 0.002 0.000 0.292 377 R C 0.693 177.014 176.300 0.036 0.000 1.240 377 R CA -1.227 54.899 56.100 0.043 0.000 1.270 377 R CB 0.332 30.639 30.300 0.012 0.000 1.108 377 R HN 0.530 nan 8.270 nan 0.000 0.573 378 L N 0.684 121.946 121.223 0.065 0.000 3.678 378 L HA -0.239 4.102 4.340 0.002 0.000 0.425 378 L C 0.389 177.271 176.870 0.019 0.000 1.240 378 L CA 1.002 55.872 54.840 0.050 0.000 0.876 378 L CB -1.473 40.612 42.059 0.042 0.000 1.766 378 L HN 0.659 nan 8.230 nan 0.000 0.917 379 E N 0.798 121.007 120.200 0.015 0.000 2.166 379 E HA 0.276 4.628 4.350 0.002 0.000 0.279 379 E C 0.721 177.326 176.600 0.009 0.000 1.095 379 E CA -0.325 56.074 56.400 -0.002 0.000 0.888 379 E CB 0.546 30.240 29.700 -0.011 0.000 1.041 379 E HN 0.551 nan 8.360 nan 0.000 0.414 387 F N -0.464 119.495 119.950 0.016 0.000 2.713 387 F HA 0.770 5.298 4.527 0.002 0.000 0.311 387 F C -1.048 174.774 175.800 0.038 0.000 1.141 387 F CA -1.551 56.464 58.000 0.025 0.000 0.939 387 F CB 1.048 40.065 39.000 0.027 0.000 1.325 387 F HN 0.133 nan 8.300 nan 0.000 0.453 388 L N 2.264 123.620 121.223 0.222 0.000 2.360 388 L HA 0.651 4.992 4.340 0.002 0.000 0.276 388 L C -0.244 176.742 176.870 0.194 0.000 1.121 388 L CA -0.521 54.391 54.840 0.119 0.000 0.845 388 L CB 1.063 43.195 42.059 0.122 0.000 1.143 388 L HN 0.929 nan 8.230 nan 0.000 0.452 389 A N 6.288 129.144 122.820 0.060 0.000 2.332 389 A HA 0.752 5.073 4.320 0.002 0.000 0.300 389 A C -1.177 176.448 177.584 0.069 0.000 1.153 389 A CA -0.438 51.662 52.037 0.105 0.000 0.764 389 A CB 1.006 20.024 19.000 0.030 0.000 1.174 389 A HN 0.569 nan 8.150 nan 0.000 0.467 390 L N 2.332 123.612 121.223 0.094 0.000 2.386 390 L HA 0.615 4.957 4.340 0.002 0.000 0.271 390 L C -0.496 176.419 176.870 0.076 0.000 0.993 390 L CA -0.645 54.239 54.840 0.073 0.000 0.819 390 L CB 2.345 44.451 42.059 0.077 0.000 1.294 390 L HN 0.420 nan 8.230 nan 0.000 0.414 391 V N 1.129 121.081 119.914 0.064 0.000 2.435 391 V HA 0.520 4.641 4.120 0.002 0.000 0.290 391 V C -0.866 175.277 176.094 0.081 0.000 1.030 391 V CA -0.404 61.939 62.300 0.071 0.000 0.881 391 V CB 1.698 33.557 31.823 0.060 0.000 0.983 391 V HN 0.724 nan 8.190 nan 0.000 0.445 392 D N 1.156 121.615 120.400 0.098 0.000 2.671 392 D HA 0.345 4.986 4.640 0.002 0.000 0.232 392 D C 0.071 176.476 176.300 0.175 0.000 1.114 392 D CA -0.539 53.535 54.000 0.123 0.000 0.858 392 D CB 1.633 42.493 40.800 0.100 0.000 1.544 392 D HN 0.442 nan 8.370 nan 0.000 0.471 393 Y N 2.869 123.199 120.300 0.051 0.000 2.421 393 Y HA 0.212 4.764 4.550 0.002 0.000 0.292 393 Y C 0.804 176.752 175.900 0.081 0.000 1.136 393 Y CA 0.652 58.783 58.100 0.050 0.000 1.255 393 Y CB -0.510 37.999 38.460 0.083 0.000 0.991 393 Y HN 0.472 nan 8.280 nan 0.000 0.552 394 A N 3.029 125.887 122.820 0.063 0.000 2.515 394 A HA 0.011 4.333 4.320 0.002 0.000 0.276 394 A C 0.006 177.558 177.584 -0.053 0.000 1.104 394 A CA 0.387 52.413 52.037 -0.018 0.000 0.822 394 A CB -1.408 17.566 19.000 -0.043 0.000 1.016 394 A HN 0.596 nan 8.150 nan 0.000 0.530 395 H N 0.828 119.698 119.070 -0.334 0.000 2.630 395 H HA 0.785 5.343 4.556 0.003 0.000 0.343 395 H C -0.212 174.965 175.328 -0.251 0.000 1.232 395 H CA -1.216 54.663 56.048 -0.281 0.000 1.294 395 H CB 0.307 29.908 29.762 -0.269 0.000 1.746 395 H HN 0.625 nan 8.280 nan 0.000 0.593 396 K N -1.182 119.011 120.400 -0.345 0.000 6.750 396 K HA -0.122 4.199 4.320 0.002 0.000 0.600 396 K C -2.474 173.968 176.600 -0.263 0.000 2.563 396 K CA 0.307 56.381 56.287 -0.355 0.000 2.004 396 K CB -0.927 31.269 32.500 -0.506 0.000 2.501 396 K HN 0.426 nan 8.250 nan 0.000 0.183 397 P HA -0.254 nan 4.420 nan 0.000 0.215 397 P C 1.439 178.649 177.300 -0.151 0.000 1.157 397 P CA 2.262 65.266 63.100 -0.160 0.000 0.868 397 P CB 0.122 31.751 31.700 -0.118 0.000 0.788 398 E N -0.044 120.065 120.200 -0.153 0.000 2.031 398 E HA -0.162 4.190 4.350 0.002 0.000 0.193 398 E C 2.183 178.703 176.600 -0.133 0.000 0.994 398 E CA 1.695 58.021 56.400 -0.122 0.000 0.800 398 E CB -1.687 27.950 29.700 -0.105 0.000 0.752 398 E HN 0.250 nan 8.360 nan 0.000 0.447 399 A N 0.136 122.860 122.820 -0.160 0.000 1.908 399 A HA 0.039 4.361 4.320 0.002 0.000 0.218 399 A C 2.488 179.988 177.584 -0.141 0.000 1.181 399 A CA 1.808 53.759 52.037 -0.143 0.000 0.627 399 A CB -0.544 18.369 19.000 -0.146 0.000 0.818 399 A HN 0.546 nan 8.150 nan 0.000 0.445 400 L N -0.174 120.947 121.223 -0.169 0.000 2.083 400 L HA -0.154 4.187 4.340 0.002 0.000 0.209 400 L C 2.985 179.777 176.870 -0.130 0.000 1.083 400 L CA 2.577 57.312 54.840 -0.175 0.000 0.752 400 L CB -0.687 41.216 42.059 -0.260 0.000 0.899 400 L HN 0.467 nan 8.230 nan 0.000 0.433 401 R N -0.492 119.936 120.500 -0.120 0.000 2.081 401 R HA -0.136 4.205 4.340 0.002 0.000 0.235 401 R C 2.426 178.672 176.300 -0.090 0.000 1.131 401 R CA 1.924 57.969 56.100 -0.091 0.000 0.960 401 R CB -2.092 28.160 30.300 -0.080 0.000 0.856 401 R HN 0.765 nan 8.270 nan 0.000 0.436 402 S N -0.018 115.607 115.700 -0.125 0.000 2.377 402 S HA -0.074 4.398 4.470 0.002 0.000 0.223 402 S C 2.217 176.721 174.600 -0.159 0.000 1.030 402 S CA 1.135 59.231 58.200 -0.174 0.000 0.970 402 S CB -0.357 62.679 63.200 -0.272 0.000 0.830 402 S HN 0.267 nan 8.310 nan 0.000 0.473 403 V N 2.668 122.511 119.914 -0.119 0.000 2.255 403 V HA -0.173 3.948 4.120 0.002 0.000 0.247 403 V C 2.619 178.724 176.094 0.018 0.000 1.051 403 V CA 2.006 64.292 62.300 -0.023 0.000 1.018 403 V CB -0.964 30.853 31.823 -0.009 0.000 0.641 403 V HN 0.450 nan 8.190 nan 0.000 0.445 404 L N 0.246 121.462 121.223 -0.012 0.000 1.989 404 L HA -0.206 4.136 4.340 0.002 0.000 0.211 404 L C 2.867 179.751 176.870 0.022 0.000 1.071 404 L CA 2.290 57.134 54.840 0.008 0.000 0.749 404 L CB -1.404 40.647 42.059 -0.013 0.000 0.890 404 L HN 0.573 nan 8.230 nan 0.000 0.431 405 T N -2.889 111.666 114.554 0.002 0.000 2.635 405 T HA -0.245 4.107 4.350 0.002 0.000 0.267 405 T C 1.631 176.358 174.700 0.045 0.000 1.040 405 T CA 1.930 64.038 62.100 0.013 0.000 1.156 405 T CB -1.287 67.575 68.868 -0.010 0.000 0.863 405 T HN 0.496 nan 8.240 nan 0.000 0.430 406 T N -0.823 113.774 114.554 0.071 0.000 3.215 406 T HA 0.252 4.604 4.350 0.002 0.000 0.254 406 T C 1.289 176.068 174.700 0.132 0.000 1.149 406 T CA 0.054 62.242 62.100 0.146 0.000 1.042 406 T CB -0.251 68.821 68.868 0.340 0.000 0.966 406 T HN 0.159 nan 8.240 nan 0.000 0.534 407 L N 0.151 121.433 121.223 0.099 0.000 2.672 407 L HA 0.592 4.933 4.340 0.002 0.000 0.236 407 L C 1.276 178.193 176.870 0.078 0.000 1.092 407 L CA -0.275 54.620 54.840 0.091 0.000 0.887 407 L CB -0.199 41.916 42.059 0.093 0.000 1.168 407 L HN 0.363 nan 8.230 nan 0.000 0.502 408 A N -1.063 121.798 122.820 0.067 0.000 2.366 408 A HA 0.649 4.970 4.320 0.002 0.000 0.272 408 A C 0.006 177.624 177.584 0.056 0.000 1.135 408 A CA 0.785 52.860 52.037 0.062 0.000 0.804 408 A CB -0.525 18.507 19.000 0.053 0.000 1.064 408 A HN 0.565 nan 8.150 nan 0.000 0.499 414 L N 2.220 123.570 121.223 0.211 0.000 2.349 414 L HA 0.926 5.268 4.340 0.002 0.000 0.278 414 L C 0.044 176.958 176.870 0.073 0.000 0.996 414 L CA -0.927 54.005 54.840 0.152 0.000 0.825 414 L CB 1.952 44.069 42.059 0.097 0.000 1.243 414 L HN 1.159 nan 8.230 nan 0.000 0.412 415 A N 4.415 127.242 122.820 0.012 0.000 2.337 415 A HA 0.757 5.079 4.320 0.002 0.000 0.329 415 A C -1.323 176.223 177.584 -0.063 0.000 1.146 415 A CA -0.524 51.393 52.037 -0.200 0.000 0.800 415 A CB 1.977 20.641 19.000 -0.560 0.000 1.220 415 A HN 0.564 nan 8.150 nan 0.000 0.472 416 V N 3.158 123.042 119.914 -0.049 0.000 2.612 416 V HA 0.627 4.749 4.120 0.002 0.000 0.301 416 V C -1.324 174.830 176.094 0.101 0.000 1.059 416 V CA -0.417 61.916 62.300 0.056 0.000 0.886 416 V CB 1.692 33.571 31.823 0.092 0.000 1.007 416 V HN 0.789 nan 8.190 nan 0.000 0.426 417 V N 8.592 128.570 119.914 0.107 0.000 2.394 417 V HA 0.765 4.887 4.120 0.002 0.000 0.282 417 V C -0.101 176.113 176.094 0.200 0.000 1.031 417 V CA -0.143 62.203 62.300 0.077 0.000 0.881 417 V CB 0.796 32.642 31.823 0.038 0.000 0.982 417 V HN 1.064 nan 8.190 nan 0.000 0.451 430 A N 2.940 125.773 122.820 0.022 0.000 1.852 430 A HA -0.136 4.185 4.320 0.002 0.000 0.217 430 A C -0.700 176.894 177.584 0.016 0.000 1.215 430 A CA 2.201 54.249 52.037 0.019 0.000 0.641 430 A CB -1.507 17.497 19.000 0.007 0.000 0.838 430 A HN 0.306 nan 8.150 nan 0.000 0.450 431 P HA -0.089 nan 4.420 nan 0.000 0.221 431 P C 1.896 179.192 177.300 -0.007 0.000 1.150 431 P CA 2.363 65.460 63.100 -0.004 0.000 0.800 431 P CB -0.383 31.308 31.700 -0.014 0.000 0.787 432 M N 0.280 119.870 119.600 -0.016 0.000 2.082 432 M HA -0.067 4.415 4.480 0.002 0.000 0.258 432 M C 2.478 178.777 176.300 -0.002 0.000 1.069 432 M CA 2.825 58.099 55.300 -0.043 0.000 1.102 432 M CB -2.560 29.986 32.600 -0.091 0.000 1.336 432 M HN 0.151 nan 8.290 nan 0.000 0.404 433 G N -0.358 108.484 108.800 0.070 0.000 2.421 433 G HA2 -0.137 3.825 3.960 0.002 0.000 0.217 433 G HA3 -0.137 3.825 3.960 0.002 0.000 0.217 433 G C 1.788 176.717 174.900 0.050 0.000 1.143 433 G CA 0.983 46.147 45.100 0.106 0.000 0.784 433 G HN 0.791 nan 8.290 nan 0.000 0.541 434 R N 0.640 121.156 120.500 0.028 0.000 2.083 434 R HA -0.083 4.258 4.340 0.002 0.000 0.237 434 R C 2.397 178.703 176.300 0.010 0.000 1.137 434 R CA 1.621 57.730 56.100 0.015 0.000 0.951 434 R CB -0.697 29.608 30.300 0.008 0.000 0.851 434 R HN 0.350 nan 8.270 nan 0.000 0.434 435 I N 2.041 122.612 120.570 0.001 0.000 2.163 435 I HA -0.214 3.958 4.170 0.002 0.000 0.243 435 I C 1.777 177.895 176.117 0.001 0.000 1.085 435 I CA 1.383 62.679 61.300 -0.006 0.000 1.347 435 I CB -0.569 37.416 38.000 -0.025 0.000 1.044 435 I HN 0.292 nan 8.210 nan 0.000 0.408 442 L N 2.750 123.891 121.223 -0.137 0.000 2.349 442 L HA 0.589 4.930 4.340 0.002 0.000 0.278 442 L C -1.248 175.506 176.870 -0.194 0.000 0.996 442 L CA -0.672 54.007 54.840 -0.269 0.000 0.825 442 L CB 2.007 43.631 42.059 -0.725 0.000 1.243 442 L HN -0.137 nan 8.230 nan 0.000 0.412 443 V N 6.353 126.192 119.914 -0.125 0.000 2.487 443 V HA 0.579 4.701 4.120 0.002 0.000 0.298 443 V C -1.122 174.891 176.094 -0.135 0.000 1.028 443 V CA -0.227 62.029 62.300 -0.074 0.000 0.860 443 V CB 2.019 33.855 31.823 0.021 0.000 0.991 443 V HN 0.469 nan 8.190 nan 0.000 0.427 444 V N 7.129 126.951 119.914 -0.153 0.000 2.378 444 V HA 0.456 4.578 4.120 0.002 0.000 0.288 444 V C -0.056 175.874 176.094 -0.273 0.000 1.016 444 V CA -0.547 61.634 62.300 -0.197 0.000 0.840 444 V CB 1.669 33.398 31.823 -0.158 0.000 0.994 444 V HN 0.764 nan 8.190 nan 0.000 0.431 445 V N 5.279 125.009 119.914 -0.307 0.000 2.432 445 V HA 0.644 4.765 4.120 0.002 0.000 0.275 445 V C 0.549 176.493 176.094 -0.249 0.000 1.043 445 V CA -0.052 62.015 62.300 -0.388 0.000 0.925 445 V CB 1.426 33.029 31.823 -0.368 0.000 0.985 445 V HN 1.052 nan 8.190 nan 0.000 0.466 455 P HA -0.102 nan 4.420 nan 0.000 0.215 455 P C 1.155 178.408 177.300 -0.079 0.000 1.153 455 P CA 1.235 64.286 63.100 -0.081 0.000 0.853 455 P CB 0.197 31.846 31.700 -0.087 0.000 0.788 456 T N -0.574 113.944 114.554 -0.060 0.000 2.821 456 T HA -0.086 4.265 4.350 0.002 0.000 0.267 456 T C 1.939 176.612 174.700 -0.045 0.000 1.046 456 T CA 1.401 63.469 62.100 -0.054 0.000 1.139 456 T CB -0.931 67.911 68.868 -0.043 0.000 0.871 456 T HN 0.066 nan 8.240 nan 0.000 0.454 457 A N 1.216 124.014 122.820 -0.036 0.000 1.940 457 A HA -0.071 4.251 4.320 0.002 0.000 0.219 457 A C 2.252 179.822 177.584 -0.024 0.000 1.176 457 A CA 1.340 53.362 52.037 -0.025 0.000 0.631 457 A CB -0.803 18.186 19.000 -0.018 0.000 0.814 457 A HN 0.531 nan 8.150 nan 0.000 0.446 458 I N -0.678 119.871 120.570 -0.035 0.000 2.202 458 I HA -0.224 3.947 4.170 0.002 0.000 0.242 458 I C 3.206 179.299 176.117 -0.041 0.000 1.091 458 I CA 1.477 62.758 61.300 -0.032 0.000 1.368 458 I CB -0.459 37.505 38.000 -0.060 0.000 1.058 458 I HN 0.397 nan 8.210 nan 0.000 0.410 459 R N 1.110 121.566 120.500 -0.073 0.000 2.096 459 R HA -0.136 4.206 4.340 0.002 0.000 0.235 459 R C 2.527 178.804 176.300 -0.039 0.000 1.127 459 R CA 2.052 58.109 56.100 -0.072 0.000 0.968 459 R CB -2.021 28.225 30.300 -0.091 0.000 0.861 459 R HN 0.498 nan 8.270 nan 0.000 0.440 460 R N -0.156 120.325 120.500 -0.032 0.000 2.083 460 R HA -0.085 4.257 4.340 0.002 0.000 0.237 460 R C 2.633 178.926 176.300 -0.011 0.000 1.137 460 R CA 2.542 58.630 56.100 -0.021 0.000 0.951 460 R CB -1.771 28.518 30.300 -0.019 0.000 0.851 460 R HN 0.827 nan 8.270 nan 0.000 0.434 461 E N 0.720 120.917 120.200 -0.005 0.000 2.106 461 E HA 0.014 4.365 4.350 0.002 0.000 0.192 461 E C 2.106 178.712 176.600 0.010 0.000 0.984 461 E CA 1.300 57.702 56.400 0.004 0.000 0.806 461 E CB -0.482 29.224 29.700 0.010 0.000 0.750 461 E HN 0.725 nan 8.360 nan 0.000 0.458 462 I N 0.043 120.622 120.570 0.016 0.000 2.252 462 I HA -0.176 3.996 4.170 0.002 0.000 0.245 462 I C 2.687 178.809 176.117 0.010 0.000 1.102 462 I CA 1.042 62.357 61.300 0.024 0.000 1.385 462 I CB -0.104 37.921 38.000 0.042 0.000 1.064 462 I HN 0.220 nan 8.210 nan 0.000 0.414 463 L N 0.525 121.747 121.223 -0.001 0.000 2.079 463 L HA -0.145 4.197 4.340 0.002 0.000 0.210 463 L C 1.832 178.701 176.870 -0.002 0.000 1.081 463 L CA 0.548 55.385 54.840 -0.005 0.000 0.752 463 L CB -0.830 41.222 42.059 -0.012 0.000 0.896 463 L HN 0.229 nan 8.230 nan 0.000 0.433 475 V N 4.215 124.106 119.914 -0.038 0.000 2.435 475 V HA 0.839 4.961 4.120 0.002 0.000 0.290 475 V C -0.875 175.168 176.094 -0.086 0.000 1.030 475 V CA -0.053 62.208 62.300 -0.066 0.000 0.881 475 V CB 1.638 33.432 31.823 -0.049 0.000 0.983 475 V HN 0.492 nan 8.190 nan 0.000 0.445 476 V N 4.863 124.700 119.914 -0.129 0.000 3.074 476 V HA 0.639 4.760 4.120 0.002 0.000 0.314 476 V C -0.467 175.522 176.094 -0.175 0.000 1.117 476 V CA -0.812 61.391 62.300 -0.161 0.000 1.014 476 V CB 1.928 33.600 31.823 -0.253 0.000 1.057 476 V HN 0.950 nan 8.190 nan 0.000 0.438 477 E N 1.829 121.929 120.200 -0.167 0.000 2.185 477 E HA 0.595 4.946 4.350 0.002 0.000 0.261 477 E C -1.806 174.698 176.600 -0.160 0.000 0.879 477 E CA -0.521 55.783 56.400 -0.160 0.000 0.756 477 E CB 1.552 31.178 29.700 -0.124 0.000 1.152 477 E HN 0.704 nan 8.360 nan 0.000 0.416 478 I N 4.630 125.100 120.570 -0.167 0.000 2.466 478 I HA 0.262 4.433 4.170 0.002 0.000 0.279 478 I C 0.967 177.022 176.117 -0.104 0.000 1.033 478 I CA -0.361 60.856 61.300 -0.137 0.000 1.123 478 I CB 1.628 39.534 38.000 -0.158 0.000 1.237 478 I HN 0.684 nan 8.210 nan 0.000 0.460 479 A N 3.955 126.725 122.820 -0.083 0.000 1.883 479 A HA -0.194 4.128 4.320 0.002 0.000 0.217 479 A C 1.014 178.565 177.584 -0.055 0.000 1.186 479 A CA 1.272 53.268 52.037 -0.069 0.000 0.624 479 A CB -0.442 18.526 19.000 -0.054 0.000 0.822 479 A HN 0.748 nan 8.150 nan 0.000 0.444 480 D N -1.299 119.076 120.400 -0.042 0.000 2.382 480 D HA 0.437 5.079 4.640 0.002 0.000 0.259 480 D C 1.536 177.821 176.300 -0.024 0.000 1.224 480 D CA 0.720 54.704 54.000 -0.027 0.000 0.894 480 D CB 0.793 41.583 40.800 -0.016 0.000 1.127 480 D HN 0.296 nan 8.370 nan 0.000 0.487 481 R N 3.663 124.151 120.500 -0.020 0.000 2.105 481 R HA -0.208 4.134 4.340 0.002 0.000 0.239 481 R C 1.990 178.292 176.300 0.003 0.000 1.135 481 R CA 2.143 58.235 56.100 -0.013 0.000 0.967 481 R CB -1.012 29.283 30.300 -0.008 0.000 0.861 481 R HN 0.573 nan 8.270 nan 0.000 0.442 482 R N 1.179 121.683 120.500 0.007 0.000 2.073 482 R HA -0.094 4.248 4.340 0.002 0.000 0.234 482 R C 1.611 177.928 176.300 0.029 0.000 1.134 482 R CA 2.188 58.299 56.100 0.019 0.000 0.952 482 R CB -0.544 29.765 30.300 0.016 0.000 0.850 482 R HN 0.517 nan 8.270 nan 0.000 0.433 483 D N 0.279 120.693 120.400 0.023 0.000 2.178 483 D HA -0.050 4.592 4.640 0.002 0.000 0.202 483 D C 1.715 178.048 176.300 0.055 0.000 0.974 483 D CA 1.503 55.526 54.000 0.038 0.000 0.841 483 D CB -0.363 40.450 40.800 0.022 0.000 0.953 483 D HN 0.414 nan 8.370 nan 0.000 0.478 484 A N 0.890 123.723 122.820 0.021 0.000 1.865 484 A HA -0.168 4.154 4.320 0.002 0.000 0.217 484 A C 2.345 179.966 177.584 0.062 0.000 1.191 484 A CA 1.069 53.114 52.037 0.013 0.000 0.623 484 A CB -0.795 18.186 19.000 -0.032 0.000 0.826 484 A HN 0.192 nan 8.150 nan 0.000 0.444 485 I N -0.425 120.178 120.570 0.055 0.000 2.127 485 I HA -0.325 3.846 4.170 0.002 0.000 0.241 485 I C 3.239 179.414 176.117 0.098 0.000 1.075 485 I CA 1.762 63.106 61.300 0.074 0.000 1.334 485 I CB -0.685 37.353 38.000 0.064 0.000 1.040 485 I HN 0.462 nan 8.210 nan 0.000 0.405 486 R N 0.254 120.808 120.500 0.091 0.000 2.096 486 R HA -0.297 4.045 4.340 0.002 0.000 0.240 486 R C 2.044 178.409 176.300 0.108 0.000 1.139 486 R CA 2.446 58.602 56.100 0.093 0.000 0.952 486 R CB -2.232 28.114 30.300 0.077 0.000 0.854 486 R HN 0.606 nan 8.270 nan 0.000 0.436 487 H N -0.235 118.857 119.070 0.035 0.000 2.319 487 H HA 0.109 4.667 4.556 0.002 0.000 0.299 487 H C 2.404 177.768 175.328 0.060 0.000 1.092 487 H CA 2.381 58.450 56.048 0.035 0.000 1.302 487 H CB -0.234 29.524 29.762 -0.007 0.000 1.373 487 H HN 0.548 nan 8.280 nan 0.000 0.497 488 A N -0.179 122.719 122.820 0.131 0.000 1.930 488 A HA -0.085 4.237 4.320 0.002 0.000 0.217 488 A C 2.654 180.336 177.584 0.163 0.000 1.175 488 A CA 1.434 53.513 52.037 0.069 0.000 0.627 488 A CB -0.797 18.215 19.000 0.020 0.000 0.815 488 A HN 0.334 nan 8.150 nan 0.000 0.443 489 V N -0.054 119.946 119.914 0.145 0.000 2.237 489 V HA -0.258 3.863 4.120 0.002 0.000 0.245 489 V C 3.008 179.141 176.094 0.065 0.000 1.046 489 V CA 2.005 64.406 62.300 0.170 0.000 1.007 489 V CB -1.215 30.737 31.823 0.215 0.000 0.638 489 V HN 0.588 nan 8.190 nan 0.000 0.445 490 A N -1.481 121.367 122.820 0.046 0.000 2.178 490 A HA -0.260 4.062 4.320 0.002 0.000 0.218 490 A C 1.908 179.468 177.584 -0.040 0.000 1.157 490 A CA 1.619 53.650 52.037 -0.010 0.000 0.689 490 A CB -0.879 18.105 19.000 -0.025 0.000 0.787 490 A HN 0.850 nan 8.150 nan 0.000 0.465 491 W N 0.322 121.478 121.300 -0.239 0.000 2.737 491 W HA 0.468 5.130 4.660 0.003 0.000 0.262 491 W C 1.068 177.444 176.519 -0.239 0.000 1.282 491 W CA 0.253 57.459 57.345 -0.232 0.000 1.386 491 W CB -0.079 29.248 29.460 -0.223 0.000 1.099 491 W HN 0.325 nan 8.180 nan 0.000 0.621 492 A N 1.857 124.508 122.820 -0.283 0.000 2.387 492 A HA 0.631 4.953 4.320 0.002 0.000 0.251 492 A C 0.236 177.401 177.584 -0.698 0.000 1.113 492 A CA 0.609 52.236 52.037 -0.682 0.000 0.794 492 A CB -0.193 18.099 19.000 -1.181 0.000 1.069 492 A HN 0.483 nan 8.150 nan 0.000 0.506 493 R N 0.154 120.294 120.500 -0.600 0.000 2.651 493 R HA 0.657 4.998 4.340 0.002 0.000 0.278 493 R C -3.314 172.878 176.300 -0.180 0.000 1.010 493 R CA -1.674 54.213 56.100 -0.355 0.000 0.896 493 R CB -0.089 30.010 30.300 -0.335 0.000 1.211 493 R HN 0.647 nan 8.270 nan 0.000 0.456 494 P HA 0.121 nan 4.420 nan 0.000 0.256 494 P C 0.989 178.317 177.300 0.047 0.000 1.173 494 P CA 2.375 65.517 63.100 0.071 0.000 0.768 494 P CB 0.682 32.413 31.700 0.052 0.000 0.758 495 G N 2.352 111.218 108.800 0.109 0.000 2.238 495 G HA2 -0.171 3.791 3.960 0.002 0.000 0.217 495 G HA3 -0.171 3.791 3.960 0.002 0.000 0.217 495 G C 0.092 175.042 174.900 0.084 0.000 0.996 495 G CA -0.389 44.759 45.100 0.080 0.000 0.632 495 G HN 0.460 nan 8.290 nan 0.000 0.503 496 D N -0.307 120.125 120.400 0.053 0.000 2.371 496 D HA 0.504 5.145 4.640 0.002 0.000 0.242 496 D C 0.312 176.728 176.300 0.194 0.000 1.218 496 D CA 0.503 54.532 54.000 0.049 0.000 0.945 496 D CB 1.970 42.685 40.800 -0.141 0.000 1.137 496 D HN 0.712 nan 8.370 nan 0.000 0.464 497 V N 0.701 120.753 119.914 0.230 0.000 2.569 497 V HA 0.409 4.531 4.120 0.002 0.000 0.301 497 V C -1.157 175.100 176.094 0.272 0.000 1.044 497 V CA -0.493 61.962 62.300 0.259 0.000 0.874 497 V CB 1.554 33.486 31.823 0.181 0.000 1.002 497 V HN 0.246 nan 8.190 nan 0.000 0.424 498 V N 7.454 127.547 119.914 0.298 0.000 2.472 498 V HA 0.621 4.742 4.120 0.002 0.000 0.290 498 V C -0.371 175.824 176.094 0.169 0.000 1.037 498 V CA -0.648 61.791 62.300 0.233 0.000 0.908 498 V CB 1.544 33.544 31.823 0.296 0.000 0.985 498 V HN 0.808 nan 8.190 nan 0.000 0.454 499 L N 6.063 127.357 121.223 0.117 0.000 2.404 499 L HA 0.595 4.936 4.340 0.002 0.000 0.272 499 L C -0.810 176.116 176.870 0.094 0.000 0.980 499 L CA -0.119 54.781 54.840 0.100 0.000 0.836 499 L CB 1.487 43.597 42.059 0.084 0.000 1.238 499 L HN 0.461 nan 8.230 nan 0.000 0.408 500 I N 5.043 125.670 120.570 0.095 0.000 2.291 500 I HA 0.595 4.766 4.170 0.002 0.000 0.290 500 I C 0.431 176.608 176.117 0.099 0.000 1.050 500 I CA -0.319 61.038 61.300 0.095 0.000 1.245 500 I CB 0.533 38.582 38.000 0.083 0.000 1.405 500 I HN 0.715 nan 8.210 nan 0.000 0.478 501 A N 3.904 126.796 122.820 0.120 0.000 2.330 501 A HA 0.833 5.155 4.320 0.002 0.000 0.329 501 A C 0.813 178.465 177.584 0.113 0.000 1.135 501 A CA 0.129 52.223 52.037 0.095 0.000 0.817 501 A CB 1.522 20.539 19.000 0.028 0.000 1.269 501 A HN 1.128 nan 8.150 nan 0.000 0.469 502 G N -1.368 107.469 108.800 0.061 0.000 2.179 502 G HA2 0.098 4.060 3.960 0.002 0.000 0.220 502 G HA3 0.098 4.060 3.960 0.002 0.000 0.220 502 G C 0.682 175.585 174.900 0.005 0.000 0.990 502 G CA 1.184 46.297 45.100 0.023 0.000 0.646 502 G HN 1.660 nan 8.290 nan 0.000 0.517 503 K N -0.539 119.905 120.400 0.072 0.000 2.424 503 K HA 0.758 5.079 4.320 0.002 0.000 0.200 503 K C 2.924 179.609 176.600 0.141 0.000 1.279 503 K CA 1.827 58.155 56.287 0.069 0.000 0.918 503 K CB -0.616 31.899 32.500 0.025 0.000 1.287 503 K HN 2.217 nan 8.250 nan 0.000 0.502 504 G N 1.747 110.650 108.800 0.172 0.000 2.602 504 G HA2 -0.362 3.600 3.960 0.002 0.000 0.310 504 G HA3 -0.362 3.600 3.960 0.002 0.000 0.310 504 G C 0.558 175.502 174.900 0.073 0.000 1.183 504 G CA 1.054 46.255 45.100 0.168 0.000 0.979 504 G HN 1.449 nan 8.290 nan 0.000 0.545 505 H N 0.000 119.020 119.070 -0.083 0.000 2.539 505 H HA 0.000 4.557 4.556 0.002 0.000 0.296 505 H CA 0.000 55.996 56.048 -0.086 0.000 1.023 505 H CB 0.000 29.680 29.762 -0.137 0.000 1.292 505 H HN 0.000 nan 8.280 nan 0.000 0.496