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 1qgk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELITILEKT VSPDRLELEA AQKFLERAAV ENLPTFLVEL SRVLANPGNS DATA SEQUENCE QVARVAAGLQ IKNSLTSKDP DIKAQYQQRW LAIDANARRE VKNYVLHTLG DATA SEQUENCE TETYRPSSAS QCVAGIACAE IPVNQWPELI PQLVANVTNP NSTEHMKEST DATA SEQUENCE LEAIGYICQD IDPEQLQDKS NEILTAIIQG MRKEEPSNNV KLAATNALLN DATA SEQUENCE SLEFTKANFD KESERHFIMQ VVCEATQCPD TRVRVAALQN LVKIMSLYYQ DATA SEQUENCE YMETYMGPAL FAITIEAMKS DIDEVALQGI EFWSNVCDEE MDLAIEASEA DATA SEQUENCE AEQGRPPEHT SKFYAKGALQ YLVPILTQTL TKQDENDDDD DWNPCKAAGV DATA SEQUENCE CLMLLATCCE DDIVPHVLPF IKEHIKNPDW RYRDAAVMAF GCILEGPEPS DATA SEQUENCE QLKPLVIQAM PTLIELMKDP SVVVRDTAAW TVGRICELLP EAAINDVYLA DATA SEQUENCE PLLQCLIEGL SAEPRVASNV CWAFSSLAEA AYEAADVADD QEEPATYCLS DATA SEQUENCE SSFELIVQKL LETTDRPDGH QNNLRSSAYE SLMEIVKNSA KDCYPAVQKT DATA SEQUENCE TLVIMERLQQ VLQMESHIQS TSDRIQFNDL QSLLCATLQN VLRKVQHQDA DATA SEQUENCE LQISDVVMAS LLRMFQSTAG SGGVQEDALM AVSTLVEVLG GEFLKYMEAF DATA SEQUENCE KPFLGIGLKN YAEYQVCLAA VGLVGDLCRA LQSNIIPFCD EVMQLLLENL DATA SEQUENCE GNENVHRSVK PQILSVFGDI ALAIGGEFKK YLEVVLNTLQ QASQAQVDKS DATA SEQUENCE DYDMVDYLNE LRESCLEAYT GIVQGLKGDQ ENVHPDVMLV QPRVEFILSF DATA SEQUENCE IDHIAGDEDH TDGVVACAAG LIGDLCTAFG KDVLKLVEAR PMIHELLTEG DATA SEQUENCE RRSKTNKAKT LARWATKELR KLKNQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.234 176.300 -0.110 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.088 0.000 0.988 1 M CB 0.000 32.486 32.600 -0.190 0.000 1.302 2 E N 1.513 121.637 120.200 -0.126 0.000 2.200 2 E HA 0.339 4.725 4.350 0.059 0.000 0.283 2 E C 0.404 176.910 176.600 -0.155 0.000 1.015 2 E CA -0.381 55.961 56.400 -0.098 0.000 0.819 2 E CB 0.943 30.603 29.700 -0.068 0.000 1.081 2 E HN 0.598 nan 8.360 nan 0.000 0.397 3 L N 2.659 123.821 121.223 -0.102 0.000 2.021 3 L HA -0.282 4.093 4.340 0.059 0.000 0.215 3 L C 1.702 178.516 176.870 -0.093 0.000 1.074 3 L CA 1.666 56.453 54.840 -0.087 0.000 0.760 3 L CB -0.114 41.963 42.059 0.030 0.000 0.889 3 L HN 0.751 nan 8.230 nan 0.000 0.433 4 I N -0.779 119.748 120.570 -0.072 0.000 2.208 4 I HA -0.330 3.875 4.170 0.059 0.000 0.245 4 I C 2.344 178.413 176.117 -0.081 0.000 1.097 4 I CA 1.838 63.097 61.300 -0.068 0.000 1.363 4 I CB -0.412 37.555 38.000 -0.055 0.000 1.051 4 I HN 0.322 nan 8.210 nan 0.000 0.413 5 T N 1.031 115.527 114.554 -0.097 0.000 2.833 5 T HA -0.097 4.288 4.350 0.059 0.000 0.269 5 T C 1.825 176.449 174.700 -0.126 0.000 1.054 5 T CA 1.227 63.267 62.100 -0.100 0.000 1.135 5 T CB -0.177 68.630 68.868 -0.101 0.000 0.869 5 T HN 0.267 nan 8.240 nan 0.000 0.466 6 I N 0.482 120.941 120.570 -0.186 0.000 2.286 6 I HA -0.050 4.155 4.170 0.059 0.000 0.245 6 I C 2.164 178.215 176.117 -0.109 0.000 1.104 6 I CA 0.921 62.093 61.300 -0.214 0.000 1.397 6 I CB -0.354 37.391 38.000 -0.426 0.000 1.072 6 I HN 0.173 nan 8.210 nan 0.000 0.417 7 L N 0.503 121.677 121.223 -0.081 0.000 2.083 7 L HA -0.210 4.165 4.340 0.059 0.000 0.209 7 L C 2.404 179.246 176.870 -0.047 0.000 1.083 7 L CA 1.524 56.338 54.840 -0.043 0.000 0.752 7 L CB -0.615 41.418 42.059 -0.043 0.000 0.899 7 L HN 0.301 nan 8.230 nan 0.000 0.433 8 E N -0.120 120.046 120.200 -0.056 0.000 2.274 8 E HA -0.203 4.182 4.350 0.059 0.000 0.194 8 E C 1.875 178.451 176.600 -0.040 0.000 0.996 8 E CA 0.622 56.993 56.400 -0.048 0.000 0.840 8 E CB 0.044 29.715 29.700 -0.048 0.000 0.772 8 E HN 0.238 nan 8.360 nan 0.000 0.491 9 K N 0.400 120.773 120.400 -0.045 0.000 2.366 9 K HA -0.046 4.309 4.320 0.059 0.000 0.198 9 K C 1.939 178.527 176.600 -0.020 0.000 1.044 9 K CA 1.040 57.306 56.287 -0.035 0.000 0.973 9 K CB -0.059 32.414 32.500 -0.045 0.000 0.767 9 K HN 0.167 nan 8.250 nan 0.000 0.475 10 T N -2.852 111.692 114.554 -0.017 0.000 3.163 10 T HA -0.009 4.376 4.350 0.059 0.000 0.260 10 T C 1.159 175.856 174.700 -0.005 0.000 1.156 10 T CA 0.494 62.592 62.100 -0.003 0.000 1.072 10 T CB 0.023 68.893 68.868 0.003 0.000 0.937 10 T HN -0.126 nan 8.240 nan 0.000 0.528 11 V N 0.877 120.784 119.914 -0.011 0.000 3.319 11 V HA 0.320 4.475 4.120 0.059 0.000 0.317 11 V C 0.907 176.998 176.094 -0.004 0.000 1.411 11 V CA -0.339 61.957 62.300 -0.007 0.000 1.112 11 V CB 0.150 31.964 31.823 -0.014 0.000 1.031 11 V HN 0.468 nan 8.190 nan 0.000 0.448 12 S N 2.863 118.560 115.700 -0.005 0.000 2.528 12 S HA 0.271 4.776 4.470 0.059 0.000 0.277 12 S C -1.613 172.987 174.600 0.001 0.000 1.297 12 S CA -0.995 57.203 58.200 -0.004 0.000 1.052 12 S CB 1.068 64.264 63.200 -0.006 0.000 0.917 12 S HN 0.315 nan 8.310 nan 0.000 0.492 13 P HA 0.202 nan 4.420 nan 0.000 0.235 13 P C -0.877 176.425 177.300 0.004 0.000 1.725 13 P CA -0.015 63.087 63.100 0.004 0.000 0.894 13 P CB -0.301 31.402 31.700 0.005 0.000 1.704 14 D N 0.465 120.866 120.400 0.003 0.000 2.549 14 D HA 0.137 4.812 4.640 0.059 0.000 0.251 14 D C 1.153 177.455 176.300 0.004 0.000 1.153 14 D CA -0.649 53.353 54.000 0.003 0.000 0.861 14 D CB 1.696 42.496 40.800 0.001 0.000 1.207 14 D HN -0.298 nan 8.370 nan 0.000 0.543 15 R N 3.237 123.740 120.500 0.005 0.000 2.103 15 R HA -0.141 4.234 4.340 0.059 0.000 0.242 15 R C 1.694 177.998 176.300 0.007 0.000 1.142 15 R CA 1.481 57.585 56.100 0.006 0.000 0.960 15 R CB -0.779 29.524 30.300 0.006 0.000 0.858 15 R HN 0.490 nan 8.270 nan 0.000 0.439 16 L N 0.390 121.617 121.223 0.006 0.000 2.072 16 L HA -0.003 4.372 4.340 0.059 0.000 0.205 16 L C 2.026 178.901 176.870 0.009 0.000 1.079 16 L CA 1.954 56.798 54.840 0.007 0.000 0.752 16 L CB -0.703 41.359 42.059 0.006 0.000 0.906 16 L HN 0.230 nan 8.230 nan 0.000 0.436 17 E N -0.605 119.598 120.200 0.005 0.000 2.110 17 E HA -0.205 4.180 4.350 0.059 0.000 0.193 17 E C 2.186 178.790 176.600 0.006 0.000 0.988 17 E CA 1.412 57.814 56.400 0.003 0.000 0.804 17 E CB -0.275 29.424 29.700 -0.002 0.000 0.745 17 E HN 0.510 nan 8.360 nan 0.000 0.458 18 L N 0.441 121.670 121.223 0.008 0.000 2.027 18 L HA -0.164 4.211 4.340 0.059 0.000 0.206 18 L C 2.406 179.289 176.870 0.021 0.000 1.074 18 L CA 1.167 56.015 54.840 0.013 0.000 0.745 18 L CB -0.428 41.639 42.059 0.013 0.000 0.898 18 L HN 0.146 nan 8.230 nan 0.000 0.433 19 E N 0.275 120.486 120.200 0.020 0.000 2.058 19 E HA -0.241 4.144 4.350 0.059 0.000 0.194 19 E C 2.257 178.877 176.600 0.033 0.000 0.997 19 E CA 1.467 57.881 56.400 0.023 0.000 0.801 19 E CB -0.292 29.418 29.700 0.017 0.000 0.746 19 E HN 0.483 nan 8.360 nan 0.000 0.450 20 A N 1.651 124.490 122.820 0.032 0.000 1.883 20 A HA -0.140 4.215 4.320 0.059 0.000 0.217 20 A C 2.456 180.086 177.584 0.077 0.000 1.186 20 A CA 2.441 54.507 52.037 0.048 0.000 0.624 20 A CB -0.701 18.318 19.000 0.033 0.000 0.822 20 A HN 0.289 nan 8.150 nan 0.000 0.444 21 A N -1.474 121.377 122.820 0.051 0.000 1.873 21 A HA -0.160 4.195 4.320 0.059 0.000 0.215 21 A C 2.152 179.800 177.584 0.107 0.000 1.186 21 A CA 2.042 54.113 52.037 0.057 0.000 0.616 21 A CB -0.559 18.447 19.000 0.010 0.000 0.823 21 A HN 0.495 nan 8.150 nan 0.000 0.442 22 Q N -0.119 119.726 119.800 0.074 0.000 2.096 22 Q HA -0.149 4.226 4.340 0.059 0.000 0.204 22 Q C 1.957 177.999 176.000 0.069 0.000 0.982 22 Q CA 1.766 57.612 55.803 0.071 0.000 0.850 22 Q CB -0.106 28.660 28.738 0.047 0.000 0.901 22 Q HN 0.465 nan 8.270 nan 0.000 0.422 23 K N -0.546 119.891 120.400 0.062 0.000 2.097 23 K HA -0.115 4.240 4.320 0.059 0.000 0.205 23 K C 1.922 178.535 176.600 0.021 0.000 1.050 23 K CA 0.864 57.168 56.287 0.029 0.000 0.938 23 K CB -0.675 31.838 32.500 0.022 0.000 0.718 23 K HN 0.262 nan 8.250 nan 0.000 0.442 24 F N 2.080 122.000 119.950 -0.050 0.000 2.095 24 F HA -0.188 4.374 4.527 0.058 0.000 0.298 24 F C 1.947 177.674 175.800 -0.122 0.000 1.104 24 F CA 1.314 59.274 58.000 -0.067 0.000 1.232 24 F CB -0.327 38.652 39.000 -0.036 0.000 0.987 24 F HN -0.125 nan 8.300 nan 0.000 0.475 25 L N 0.010 121.360 121.223 0.212 0.000 2.017 25 L HA -0.217 4.158 4.340 0.059 0.000 0.208 25 L C 2.520 179.213 176.870 -0.295 0.000 1.073 25 L CA 1.958 56.819 54.840 0.035 0.000 0.745 25 L CB -0.969 41.217 42.059 0.211 0.000 0.894 25 L HN 0.206 nan 8.230 nan 0.000 0.432 26 E N 0.767 120.876 120.200 -0.152 0.000 2.118 26 E HA -0.270 4.115 4.350 0.059 0.000 0.195 26 E C 2.325 178.768 176.600 -0.262 0.000 0.992 26 E CA 1.370 57.669 56.400 -0.168 0.000 0.804 26 E CB 0.062 29.716 29.700 -0.076 0.000 0.741 26 E HN 0.437 nan 8.360 nan 0.000 0.458 27 R N -0.173 120.149 120.500 -0.298 0.000 2.200 27 R HA 0.107 4.483 4.340 0.059 0.000 0.208 27 R C 2.028 178.077 176.300 -0.418 0.000 1.033 27 R CA 0.909 56.821 56.100 -0.313 0.000 1.000 27 R CB -0.104 30.028 30.300 -0.280 0.000 0.906 27 R HN 0.091 nan 8.270 nan 0.000 0.462 28 A N 1.467 123.922 122.820 -0.609 0.000 1.929 28 A HA 0.093 4.448 4.320 0.059 0.000 0.216 28 A C 2.428 179.616 177.584 -0.660 0.000 1.176 28 A CA 1.213 52.858 52.037 -0.654 0.000 0.628 28 A CB -0.535 18.000 19.000 -0.774 0.000 0.816 28 A HN 0.507 nan 8.150 nan 0.000 0.444 29 A N -0.474 121.828 122.820 -0.862 0.000 1.930 29 A HA 0.038 4.393 4.320 0.059 0.000 0.217 29 A C 2.188 179.652 177.584 -0.200 0.000 1.175 29 A CA 1.707 53.473 52.037 -0.451 0.000 0.627 29 A CB -0.783 18.041 19.000 -0.294 0.000 0.815 29 A HN 0.353 nan 8.150 nan 0.000 0.443 30 V N 0.226 120.011 119.914 -0.215 0.000 2.358 30 V HA -0.245 3.911 4.120 0.059 0.000 0.246 30 V C 2.546 178.572 176.094 -0.114 0.000 1.047 30 V CA 2.193 64.412 62.300 -0.134 0.000 1.035 30 V CB -0.682 31.065 31.823 -0.127 0.000 0.658 30 V HN 0.795 nan 8.190 nan 0.000 0.452 31 E N 0.966 121.077 120.200 -0.148 0.000 2.017 31 E HA -0.219 4.166 4.350 0.059 0.000 0.193 31 E C 1.112 177.667 176.600 -0.076 0.000 0.997 31 E CA 1.526 57.858 56.400 -0.114 0.000 0.804 31 E CB 0.014 29.627 29.700 -0.144 0.000 0.757 31 E HN 0.679 nan 8.360 nan 0.000 0.448 32 N N -0.074 118.586 118.700 -0.067 0.000 2.685 32 N HA 0.052 4.827 4.740 0.059 0.000 0.252 32 N C 0.265 175.799 175.510 0.040 0.000 1.261 32 N CA -0.288 52.752 53.050 -0.016 0.000 0.768 32 N CB 0.737 39.220 38.487 -0.007 0.000 1.304 32 N HN 0.058 nan 8.380 nan 0.000 0.536 33 L N 5.297 126.544 121.223 0.041 0.000 2.012 33 L HA 0.131 4.506 4.340 0.059 0.000 0.210 33 L C -1.063 175.885 176.870 0.130 0.000 1.073 33 L CA 2.059 56.970 54.840 0.118 0.000 0.748 33 L CB -0.763 41.340 42.059 0.073 0.000 0.891 33 L HN 0.450 nan 8.230 nan 0.000 0.431 34 P HA -0.146 nan 4.420 nan 0.000 0.215 34 P C 1.567 178.886 177.300 0.032 0.000 1.157 34 P CA 2.115 65.218 63.100 0.005 0.000 0.874 34 P CB -0.169 31.505 31.700 -0.045 0.000 0.790 35 T N -1.320 113.266 114.554 0.053 0.000 2.857 35 T HA -0.103 4.282 4.350 0.059 0.000 0.266 35 T C 1.410 176.176 174.700 0.109 0.000 1.048 35 T CA 0.747 62.882 62.100 0.059 0.000 1.139 35 T CB -0.882 68.018 68.868 0.053 0.000 0.874 35 T HN 0.001 nan 8.240 nan 0.000 0.455 36 F N 2.037 121.978 119.950 -0.014 0.000 2.102 36 F HA 0.023 4.585 4.527 0.059 0.000 0.298 36 F C 1.884 177.683 175.800 -0.001 0.000 1.105 36 F CA 0.905 58.902 58.000 -0.006 0.000 1.239 36 F CB -0.731 38.263 39.000 -0.011 0.000 0.991 36 F HN 0.044 nan 8.300 nan 0.000 0.474 37 L N -0.669 120.511 121.223 -0.073 0.000 2.042 37 L HA -0.251 4.124 4.340 0.059 0.000 0.210 37 L C 2.400 179.191 176.870 -0.131 0.000 1.076 37 L CA 1.238 55.993 54.840 -0.141 0.000 0.749 37 L CB -0.887 41.221 42.059 0.080 0.000 0.893 37 L HN 0.043 nan 8.230 nan 0.000 0.432 38 V N -0.226 119.646 119.914 -0.070 0.000 2.261 38 V HA -0.286 3.869 4.120 0.059 0.000 0.246 38 V C 2.337 178.317 176.094 -0.191 0.000 1.047 38 V CA 1.890 64.136 62.300 -0.090 0.000 1.015 38 V CB -0.486 31.315 31.823 -0.038 0.000 0.642 38 V HN 0.450 nan 8.190 nan 0.000 0.446 39 E N -0.212 119.900 120.200 -0.147 0.000 2.153 39 E HA -0.186 4.199 4.350 0.059 0.000 0.194 39 E C 2.195 178.669 176.600 -0.210 0.000 0.988 39 E CA 1.102 57.410 56.400 -0.153 0.000 0.811 39 E CB -0.154 29.521 29.700 -0.041 0.000 0.746 39 E HN 0.522 nan 8.360 nan 0.000 0.466 40 L N 0.635 121.685 121.223 -0.288 0.000 2.044 40 L HA -0.169 4.206 4.340 0.059 0.000 0.205 40 L C 2.778 179.509 176.870 -0.232 0.000 1.075 40 L CA 1.280 55.942 54.840 -0.297 0.000 0.747 40 L CB -0.580 41.203 42.059 -0.459 0.000 0.903 40 L HN 0.178 nan 8.230 nan 0.000 0.435 41 S N 0.306 115.868 115.700 -0.230 0.000 2.374 41 S HA -0.262 4.243 4.470 0.059 0.000 0.227 41 S C 2.080 176.511 174.600 -0.281 0.000 1.037 41 S CA 1.235 59.330 58.200 -0.175 0.000 1.024 41 S CB -0.499 62.646 63.200 -0.091 0.000 0.861 41 S HN 0.349 nan 8.310 nan 0.000 0.456 42 R N 0.547 120.736 120.500 -0.517 0.000 2.105 42 R HA -0.014 4.362 4.340 0.059 0.000 0.239 42 R C 2.363 178.529 176.300 -0.223 0.000 1.135 42 R CA 1.514 57.269 56.100 -0.575 0.000 0.967 42 R CB -0.818 29.167 30.300 -0.525 0.000 0.861 42 R HN 0.394 nan 8.270 nan 0.000 0.442 43 V N 1.286 121.096 119.914 -0.174 0.000 2.270 43 V HA -0.212 3.943 4.120 0.059 0.000 0.245 43 V C 2.183 178.233 176.094 -0.074 0.000 1.043 43 V CA 1.532 63.769 62.300 -0.105 0.000 1.014 43 V CB -0.532 31.229 31.823 -0.103 0.000 0.645 43 V HN 0.236 nan 8.190 nan 0.000 0.447 44 L N 1.369 122.545 121.223 -0.078 0.000 2.042 44 L HA -0.109 4.266 4.340 0.059 0.000 0.210 44 L C 2.279 179.155 176.870 0.010 0.000 1.076 44 L CA 2.495 57.310 54.840 -0.042 0.000 0.749 44 L CB -0.915 41.119 42.059 -0.042 0.000 0.893 44 L HN 0.221 nan 8.230 nan 0.000 0.432 45 A N -0.915 121.933 122.820 0.048 0.000 2.168 45 A HA -0.064 4.291 4.320 0.059 0.000 0.215 45 A C 1.141 178.786 177.584 0.101 0.000 1.152 45 A CA 0.484 52.602 52.037 0.136 0.000 0.716 45 A CB -0.859 18.344 19.000 0.338 0.000 0.794 45 A HN 0.563 nan 8.150 nan 0.000 0.465 46 N N 0.027 118.755 118.700 0.046 0.000 2.426 46 N HA 0.258 5.033 4.740 0.059 0.000 0.257 46 N C -2.418 173.101 175.510 0.014 0.000 1.002 46 N CA -1.879 51.191 53.050 0.032 0.000 0.942 46 N CB 1.597 40.090 38.487 0.011 0.000 1.112 46 N HN -0.092 nan 8.380 nan 0.000 0.499 47 P HA 0.064 nan 4.420 nan 0.000 0.223 47 P C 1.111 178.411 177.300 -0.000 0.000 1.151 47 P CA 0.569 63.673 63.100 0.007 0.000 0.787 47 P CB 0.231 31.937 31.700 0.011 0.000 0.788 48 G N -0.850 107.951 108.800 0.001 0.000 2.443 48 G HA2 -0.133 3.862 3.960 0.059 0.000 0.219 48 G HA3 -0.133 3.862 3.960 0.059 0.000 0.219 48 G C 0.853 175.746 174.900 -0.010 0.000 1.131 48 G CA 0.171 45.269 45.100 -0.003 0.000 0.775 48 G HN 0.272 nan 8.290 nan 0.000 0.547 49 N N 0.871 119.561 118.700 -0.016 0.000 2.444 49 N HA 0.191 4.966 4.740 0.059 0.000 0.255 49 N C 0.736 176.228 175.510 -0.029 0.000 1.255 49 N CA 0.152 53.187 53.050 -0.026 0.000 0.933 49 N CB 1.050 39.516 38.487 -0.035 0.000 1.143 49 N HN 0.279 nan 8.380 nan 0.000 0.453 50 S N -0.302 115.377 115.700 -0.034 0.000 2.584 50 S HA -0.028 4.477 4.470 0.059 0.000 0.270 50 S C 1.157 175.727 174.600 -0.050 0.000 1.346 50 S CA -0.344 57.835 58.200 -0.035 0.000 1.018 50 S CB 1.052 64.231 63.200 -0.035 0.000 0.899 50 S HN 0.630 nan 8.310 nan 0.000 0.542 51 Q N 0.869 120.641 119.800 -0.047 0.000 2.061 51 Q HA -0.130 4.245 4.340 0.059 0.000 0.204 51 Q C 1.966 177.885 176.000 -0.134 0.000 0.984 51 Q CA 2.128 57.886 55.803 -0.075 0.000 0.846 51 Q CB -0.462 28.258 28.738 -0.030 0.000 0.902 51 Q HN 0.743 nan 8.270 nan 0.000 0.421 52 V N 0.884 120.739 119.914 -0.098 0.000 2.252 52 V HA -0.352 3.803 4.120 0.059 0.000 0.249 52 V C 2.349 178.377 176.094 -0.110 0.000 1.056 52 V CA 2.068 64.305 62.300 -0.105 0.000 1.022 52 V CB -1.165 30.621 31.823 -0.062 0.000 0.641 52 V HN 0.563 nan 8.190 nan 0.000 0.445 53 A N -0.254 122.514 122.820 -0.086 0.000 1.902 53 A HA -0.232 4.123 4.320 0.059 0.000 0.217 53 A C 2.342 179.869 177.584 -0.096 0.000 1.181 53 A CA 1.931 53.920 52.037 -0.080 0.000 0.623 53 A CB -0.486 18.474 19.000 -0.066 0.000 0.818 53 A HN 0.562 nan 8.150 nan 0.000 0.443 54 R N -0.766 119.670 120.500 -0.107 0.000 2.070 54 R HA -0.074 4.301 4.340 0.059 0.000 0.233 54 R C 2.040 178.250 176.300 -0.150 0.000 1.137 54 R CA 1.462 57.495 56.100 -0.112 0.000 0.945 54 R CB -0.765 29.477 30.300 -0.097 0.000 0.845 54 R HN 0.358 nan 8.270 nan 0.000 0.430 55 V N 1.393 121.166 119.914 -0.235 0.000 2.332 55 V HA -0.275 3.881 4.120 0.059 0.000 0.248 55 V C 2.498 178.489 176.094 -0.172 0.000 1.055 55 V CA 2.027 64.146 62.300 -0.302 0.000 1.038 55 V CB -0.748 30.750 31.823 -0.541 0.000 0.651 55 V HN 0.444 nan 8.190 nan 0.000 0.450 56 A N -0.089 122.651 122.820 -0.134 0.000 1.877 56 A HA -0.120 4.235 4.320 0.059 0.000 0.216 56 A C 2.450 179.991 177.584 -0.072 0.000 1.186 56 A CA 2.090 54.079 52.037 -0.080 0.000 0.620 56 A CB -0.845 18.119 19.000 -0.061 0.000 0.822 56 A HN 0.577 nan 8.150 nan 0.000 0.443 57 A N -0.463 122.303 122.820 -0.090 0.000 1.908 57 A HA 0.066 4.422 4.320 0.059 0.000 0.218 57 A C 2.422 179.938 177.584 -0.112 0.000 1.181 57 A CA 2.058 54.030 52.037 -0.108 0.000 0.627 57 A CB -1.431 17.500 19.000 -0.115 0.000 0.818 57 A HN 0.775 nan 8.150 nan 0.000 0.445 58 G N -0.531 108.211 108.800 -0.097 0.000 2.422 58 G HA2 -0.114 3.881 3.960 0.059 0.000 0.218 58 G HA3 -0.114 3.881 3.960 0.059 0.000 0.218 58 G C 1.452 176.307 174.900 -0.076 0.000 1.146 58 G CA 1.152 46.202 45.100 -0.083 0.000 0.769 58 G HN 0.427 nan 8.290 nan 0.000 0.547 59 L N 0.311 121.495 121.223 -0.064 0.000 2.017 59 L HA -0.028 4.347 4.340 0.059 0.000 0.208 59 L C 2.816 179.670 176.870 -0.028 0.000 1.073 59 L CA 1.680 56.496 54.840 -0.039 0.000 0.745 59 L CB -0.548 41.496 42.059 -0.025 0.000 0.894 59 L HN 0.132 nan 8.230 nan 0.000 0.432 60 Q N -0.449 119.334 119.800 -0.029 0.000 2.124 60 Q HA -0.162 4.213 4.340 0.059 0.000 0.202 60 Q C 2.337 178.306 176.000 -0.051 0.000 0.977 60 Q CA 1.892 57.695 55.803 -0.001 0.000 0.850 60 Q CB -0.267 28.475 28.738 0.007 0.000 0.901 60 Q HN 0.591 nan 8.270 nan 0.000 0.429 61 I N 0.521 121.025 120.570 -0.110 0.000 2.133 61 I HA -0.269 3.936 4.170 0.059 0.000 0.238 61 I C 2.581 178.634 176.117 -0.107 0.000 1.074 61 I CA 1.072 62.295 61.300 -0.130 0.000 1.342 61 I CB -0.350 37.563 38.000 -0.145 0.000 1.053 61 I HN 0.170 nan 8.210 nan 0.000 0.404 62 K N 1.157 121.500 120.400 -0.094 0.000 2.044 62 K HA -0.233 4.122 4.320 0.059 0.000 0.210 62 K C 1.724 178.305 176.600 -0.031 0.000 1.049 62 K CA 1.882 58.119 56.287 -0.084 0.000 0.927 62 K CB -0.131 32.319 32.500 -0.083 0.000 0.713 62 K HN 0.294 nan 8.250 nan 0.000 0.443 63 N N 0.275 118.974 118.700 -0.002 0.000 2.573 63 N HA -0.056 4.719 4.740 0.059 0.000 0.187 63 N C 1.121 176.653 175.510 0.037 0.000 1.107 63 N CA 0.702 53.786 53.050 0.056 0.000 0.918 63 N CB 0.213 38.737 38.487 0.061 0.000 0.966 63 N HN 0.142 nan 8.380 nan 0.000 0.448 64 S N -0.062 115.611 115.700 -0.045 0.000 2.503 64 S HA 0.248 4.753 4.470 0.059 0.000 0.217 64 S C 1.833 176.349 174.600 -0.140 0.000 0.999 64 S CA -0.020 58.079 58.200 -0.168 0.000 0.914 64 S CB 0.600 63.759 63.200 -0.068 0.000 0.782 64 S HN 0.179 nan 8.310 nan 0.000 0.520 65 L N -0.311 120.890 121.223 -0.036 0.000 2.388 65 L HA 0.263 4.638 4.340 0.059 0.000 0.209 65 L C 1.183 178.126 176.870 0.121 0.000 1.061 65 L CA 0.601 55.427 54.840 -0.024 0.000 0.834 65 L CB 0.246 42.163 42.059 -0.236 0.000 1.029 65 L HN 0.117 nan 8.230 nan 0.000 0.473 66 T N -2.158 112.471 114.554 0.126 0.000 2.910 66 T HA 0.654 5.039 4.350 0.059 0.000 0.287 66 T C -0.855 173.919 174.700 0.123 0.000 1.050 66 T CA -0.325 61.835 62.100 0.101 0.000 1.011 66 T CB 1.819 70.694 68.868 0.012 0.000 1.195 66 T HN 0.059 nan 8.240 nan 0.000 0.540 67 S N -0.623 115.089 115.700 0.021 0.000 2.661 67 S HA 0.444 4.949 4.470 0.059 0.000 0.268 67 S C -0.208 174.378 174.600 -0.025 0.000 1.162 67 S CA -0.587 57.603 58.200 -0.015 0.000 0.817 67 S CB 1.246 64.362 63.200 -0.141 0.000 1.141 67 S HN 0.703 nan 8.310 nan 0.000 0.477 68 K N 0.118 120.503 120.400 -0.024 0.000 2.323 68 K HA 0.193 4.548 4.320 0.059 0.000 0.197 68 K C -0.542 176.041 176.600 -0.029 0.000 1.043 68 K CA 0.152 56.429 56.287 -0.016 0.000 0.997 68 K CB 0.027 32.524 32.500 -0.006 0.000 0.807 68 K HN 0.479 nan 8.250 nan 0.000 0.497 69 D N 2.194 122.563 120.400 -0.051 0.000 2.352 69 D HA 0.065 4.741 4.640 0.059 0.000 0.245 69 D C -1.986 174.273 176.300 -0.068 0.000 1.224 69 D CA -1.625 52.342 54.000 -0.054 0.000 0.879 69 D CB 1.509 42.269 40.800 -0.068 0.000 1.057 69 D HN -0.116 nan 8.370 nan 0.000 0.491 70 P HA -0.171 nan 4.420 nan 0.000 0.218 70 P C 1.123 178.397 177.300 -0.043 0.000 1.146 70 P CA 0.862 63.942 63.100 -0.033 0.000 0.813 70 P CB 0.456 32.148 31.700 -0.013 0.000 0.778 71 D N -0.748 119.626 120.400 -0.044 0.000 2.162 71 D HA -0.077 4.598 4.640 0.059 0.000 0.203 71 D C 1.805 178.047 176.300 -0.097 0.000 0.967 71 D CA 0.894 54.869 54.000 -0.042 0.000 0.840 71 D CB -0.161 40.630 40.800 -0.014 0.000 0.972 71 D HN 0.130 nan 8.370 nan 0.000 0.482 72 I N 0.452 120.919 120.570 -0.171 0.000 2.500 72 I HA -0.148 4.057 4.170 0.059 0.000 0.252 72 I C 2.613 178.425 176.117 -0.509 0.000 1.142 72 I CA 0.442 61.518 61.300 -0.374 0.000 1.451 72 I CB -0.122 37.623 38.000 -0.425 0.000 1.093 72 I HN -0.041 nan 8.210 nan 0.000 0.430 73 K N 1.648 121.883 120.400 -0.276 0.000 2.002 73 K HA -0.193 4.162 4.320 0.059 0.000 0.209 73 K C 2.267 178.836 176.600 -0.051 0.000 1.048 73 K CA 1.633 57.827 56.287 -0.154 0.000 0.930 73 K CB -0.147 32.314 32.500 -0.064 0.000 0.714 73 K HN 0.237 nan 8.250 nan 0.000 0.438 74 A N 1.324 124.124 122.820 -0.034 0.000 1.917 74 A HA -0.301 4.054 4.320 0.059 0.000 0.219 74 A C 2.136 179.752 177.584 0.053 0.000 1.182 74 A CA 2.064 54.112 52.037 0.019 0.000 0.633 74 A CB -0.840 18.166 19.000 0.011 0.000 0.819 74 A HN 0.644 nan 8.150 nan 0.000 0.448 75 Q N -1.868 117.944 119.800 0.020 0.000 2.096 75 Q HA -0.222 4.153 4.340 0.059 0.000 0.204 75 Q C 1.829 177.985 176.000 0.261 0.000 0.982 75 Q CA 1.913 57.774 55.803 0.096 0.000 0.850 75 Q CB -0.288 28.480 28.738 0.051 0.000 0.901 75 Q HN 0.711 nan 8.270 nan 0.000 0.422 76 Y N 0.976 121.314 120.300 0.064 0.000 2.352 76 Y HA -0.131 4.454 4.550 0.059 0.000 0.292 76 Y C 2.199 178.173 175.900 0.123 0.000 1.136 76 Y CA 1.035 59.185 58.100 0.083 0.000 1.227 76 Y CB -0.473 38.019 38.460 0.054 0.000 0.991 76 Y HN 0.320 nan 8.280 nan 0.000 0.545 77 Q N -0.287 119.672 119.800 0.265 0.000 2.049 77 Q HA -0.185 4.190 4.340 0.059 0.000 0.198 77 Q C 2.150 178.306 176.000 0.260 0.000 0.971 77 Q CA 1.351 57.291 55.803 0.227 0.000 0.833 77 Q CB -0.268 28.557 28.738 0.144 0.000 0.896 77 Q HN 0.541 nan 8.270 nan 0.000 0.434 78 Q N 0.388 120.301 119.800 0.188 0.000 2.119 78 Q HA -0.133 4.242 4.340 0.059 0.000 0.201 78 Q C 2.134 178.218 176.000 0.140 0.000 0.972 78 Q CA 0.843 56.732 55.803 0.144 0.000 0.847 78 Q CB -0.118 28.680 28.738 0.101 0.000 0.903 78 Q HN 0.236 nan 8.270 nan 0.000 0.433 79 R N 0.436 121.039 120.500 0.171 0.000 2.105 79 R HA -0.179 4.196 4.340 0.059 0.000 0.239 79 R C 2.037 178.421 176.300 0.140 0.000 1.135 79 R CA 1.492 57.675 56.100 0.138 0.000 0.967 79 R CB -0.324 30.071 30.300 0.158 0.000 0.861 79 R HN 0.505 nan 8.270 nan 0.000 0.442 80 W N 1.250 122.566 121.300 0.026 0.000 2.418 80 W HA -0.135 4.560 4.660 0.059 0.000 0.292 80 W C 1.259 177.775 176.519 -0.005 0.000 1.213 80 W CA 0.767 58.113 57.345 0.001 0.000 1.283 80 W CB -0.292 29.171 29.460 0.004 0.000 1.119 80 W HN 0.140 nan 8.180 nan 0.000 0.542 81 L N 1.603 122.843 121.223 0.028 0.000 2.131 81 L HA -0.154 4.221 4.340 0.059 0.000 0.210 81 L C 2.853 179.627 176.870 -0.159 0.000 1.092 81 L CA 1.380 56.167 54.840 -0.088 0.000 0.759 81 L CB -1.150 40.955 42.059 0.077 0.000 0.903 81 L HN -0.049 nan 8.230 nan 0.000 0.435 82 A N -0.032 122.730 122.820 -0.096 0.000 2.121 82 A HA 0.002 4.357 4.320 0.059 0.000 0.218 82 A C 1.219 178.715 177.584 -0.148 0.000 1.154 82 A CA 0.384 52.367 52.037 -0.089 0.000 0.679 82 A CB -0.621 18.357 19.000 -0.036 0.000 0.795 82 A HN 0.281 nan 8.150 nan 0.000 0.458 83 I N 0.734 121.152 120.570 -0.253 0.000 2.754 83 I HA -0.010 4.195 4.170 0.059 0.000 0.285 83 I C 0.399 176.348 176.117 -0.279 0.000 1.166 83 I CA -0.450 60.676 61.300 -0.290 0.000 1.417 83 I CB 0.324 38.049 38.000 -0.458 0.000 1.382 83 I HN 0.179 nan 8.210 nan 0.000 0.588 84 D N 4.513 124.791 120.400 -0.204 0.000 2.531 84 D HA -0.033 4.642 4.640 0.059 0.000 0.239 84 D C 0.946 177.125 176.300 -0.203 0.000 1.144 84 D CA 0.339 54.242 54.000 -0.161 0.000 0.869 84 D CB 1.136 41.867 40.800 -0.116 0.000 1.160 84 D HN 0.601 nan 8.370 nan 0.000 0.484 85 A N 4.736 127.456 122.820 -0.167 0.000 2.131 85 A HA -0.205 4.150 4.320 0.059 0.000 0.220 85 A C 1.919 179.422 177.584 -0.134 0.000 1.158 85 A CA 0.980 52.918 52.037 -0.164 0.000 0.665 85 A CB -0.292 18.644 19.000 -0.106 0.000 0.795 85 A HN 0.715 nan 8.150 nan 0.000 0.460 86 N N -0.181 118.455 118.700 -0.107 0.000 2.333 86 N HA 0.012 4.787 4.740 0.059 0.000 0.178 86 N C 1.928 177.392 175.510 -0.077 0.000 1.018 86 N CA 1.083 54.089 53.050 -0.073 0.000 0.882 86 N CB -0.132 38.326 38.487 -0.049 0.000 0.984 86 N HN 0.475 nan 8.380 nan 0.000 0.434 87 A N 1.935 124.686 122.820 -0.114 0.000 1.854 87 A HA -0.053 4.302 4.320 0.059 0.000 0.214 87 A C 2.204 179.704 177.584 -0.140 0.000 1.192 87 A CA 0.809 52.781 52.037 -0.109 0.000 0.611 87 A CB -0.366 18.551 19.000 -0.139 0.000 0.832 87 A HN 0.176 nan 8.150 nan 0.000 0.442 88 R N -0.803 119.527 120.500 -0.283 0.000 2.103 88 R HA -0.180 4.196 4.340 0.059 0.000 0.242 88 R C 2.486 178.707 176.300 -0.132 0.000 1.142 88 R CA 1.711 57.605 56.100 -0.343 0.000 0.960 88 R CB -0.366 29.574 30.300 -0.599 0.000 0.858 88 R HN 0.563 nan 8.270 nan 0.000 0.439 89 R N 1.438 121.858 120.500 -0.134 0.000 2.094 89 R HA -0.200 4.175 4.340 0.059 0.000 0.239 89 R C 1.975 178.251 176.300 -0.040 0.000 1.137 89 R CA 2.049 58.086 56.100 -0.104 0.000 0.943 89 R CB -0.077 30.184 30.300 -0.066 0.000 0.850 89 R HN 0.322 nan 8.270 nan 0.000 0.433 90 E N -0.523 119.689 120.200 0.020 0.000 2.049 90 E HA -0.229 4.156 4.350 0.059 0.000 0.198 90 E C 2.011 178.764 176.600 0.254 0.000 1.007 90 E CA 1.877 58.360 56.400 0.138 0.000 0.809 90 E CB -0.164 29.649 29.700 0.189 0.000 0.749 90 E HN 0.189 nan 8.360 nan 0.000 0.450 91 V N 1.636 121.658 119.914 0.179 0.000 2.343 91 V HA -0.278 3.877 4.120 0.059 0.000 0.247 91 V C 2.160 178.314 176.094 0.099 0.000 1.051 91 V CA 1.867 64.280 62.300 0.188 0.000 1.036 91 V CB -0.462 31.494 31.823 0.221 0.000 0.654 91 V HN 0.216 nan 8.190 nan 0.000 0.451 92 K N 0.177 120.543 120.400 -0.056 0.000 2.103 92 K HA -0.177 4.178 4.320 0.059 0.000 0.207 92 K C 2.044 178.619 176.600 -0.041 0.000 1.048 92 K CA 1.607 57.738 56.287 -0.259 0.000 0.930 92 K CB -0.331 31.712 32.500 -0.762 0.000 0.716 92 K HN 0.490 nan 8.250 nan 0.000 0.444 93 N N 0.491 119.159 118.700 -0.054 0.000 2.080 93 N HA -0.145 4.630 4.740 0.059 0.000 0.189 93 N C 1.897 177.350 175.510 -0.094 0.000 1.036 93 N CA 1.390 54.338 53.050 -0.170 0.000 0.846 93 N CB -0.649 37.771 38.487 -0.111 0.000 1.015 93 N HN 0.195 nan 8.380 nan 0.000 0.423 94 Y N 1.501 121.868 120.300 0.111 0.000 2.151 94 Y HA -0.133 4.453 4.550 0.058 0.000 0.284 94 Y C 2.568 178.526 175.900 0.097 0.000 1.166 94 Y CA 0.817 58.999 58.100 0.137 0.000 1.163 94 Y CB -0.736 37.767 38.460 0.071 0.000 0.974 94 Y HN -0.167 nan 8.280 nan 0.000 0.511 95 V N -0.772 119.267 119.914 0.209 0.000 2.307 95 V HA -0.256 3.899 4.120 0.059 0.000 0.245 95 V C 2.219 178.399 176.094 0.143 0.000 1.045 95 V CA 1.536 63.924 62.300 0.146 0.000 1.024 95 V CB -0.711 31.174 31.823 0.104 0.000 0.651 95 V HN 0.288 nan 8.190 nan 0.000 0.449 96 L N -0.629 120.668 121.223 0.123 0.000 2.093 96 L HA -0.100 4.276 4.340 0.059 0.000 0.208 96 L C 2.404 179.295 176.870 0.035 0.000 1.085 96 L CA 1.869 56.758 54.840 0.082 0.000 0.755 96 L CB -0.908 41.197 42.059 0.078 0.000 0.904 96 L HN 0.385 nan 8.230 nan 0.000 0.435 97 H N -1.433 117.697 119.070 0.099 0.000 2.545 97 H HA 0.002 4.593 4.556 0.059 0.000 0.282 97 H C 1.821 177.193 175.328 0.073 0.000 1.020 97 H CA 1.371 57.456 56.048 0.062 0.000 1.243 97 H CB -0.355 29.416 29.762 0.016 0.000 1.377 97 H HN 0.344 nan 8.280 nan 0.000 0.581 98 T N 0.769 115.439 114.554 0.193 0.000 2.985 98 T HA 0.058 4.443 4.350 0.059 0.000 0.266 98 T C 1.181 175.949 174.700 0.114 0.000 1.076 98 T CA -0.155 62.031 62.100 0.142 0.000 1.135 98 T CB -0.031 68.911 68.868 0.124 0.000 0.890 98 T HN 0.136 nan 8.240 nan 0.000 0.480 99 L N 1.871 123.162 121.223 0.113 0.000 2.700 99 L HA 0.180 4.555 4.340 0.059 0.000 0.276 99 L C 1.657 178.586 176.870 0.097 0.000 1.200 99 L CA 0.679 55.579 54.840 0.100 0.000 0.951 99 L CB -0.247 41.864 42.059 0.087 0.000 1.226 99 L HN 0.502 nan 8.230 nan 0.000 0.489 100 G N 1.721 110.580 108.800 0.098 0.000 2.234 100 G HA2 -0.339 3.656 3.960 0.059 0.000 0.235 100 G HA3 -0.339 3.656 3.960 0.059 0.000 0.235 100 G C 0.844 175.785 174.900 0.068 0.000 0.997 100 G CA 0.468 45.631 45.100 0.104 0.000 0.623 100 G HN 0.678 nan 8.290 nan 0.000 0.514 101 T N -1.097 113.490 114.554 0.055 0.000 3.129 101 T HA 0.414 4.799 4.350 0.059 0.000 0.251 101 T C 0.616 175.311 174.700 -0.008 0.000 1.117 101 T CA 0.971 63.089 62.100 0.028 0.000 1.034 101 T CB 0.329 69.226 68.868 0.048 0.000 0.968 101 T HN 0.515 nan 8.240 nan 0.000 0.526 102 E N 0.837 121.028 120.200 -0.016 0.000 2.249 102 E HA 0.355 4.740 4.350 0.059 0.000 0.280 102 E C 0.252 176.751 176.600 -0.169 0.000 1.016 102 E CA -0.381 56.004 56.400 -0.025 0.000 0.830 102 E CB 1.458 31.199 29.700 0.068 0.000 1.081 102 E HN 0.074 nan 8.360 nan 0.000 0.395 103 T N 1.471 115.958 114.554 -0.112 0.000 3.037 103 T HA -0.057 4.329 4.350 0.059 0.000 0.252 103 T C 0.002 174.685 174.700 -0.028 0.000 1.073 103 T CA 0.009 62.000 62.100 -0.182 0.000 1.091 103 T CB -0.069 68.756 68.868 -0.072 0.000 0.935 103 T HN 0.409 nan 8.240 nan 0.000 0.488 104 Y N 3.181 123.436 120.300 -0.074 0.000 2.620 104 Y HA 0.202 4.787 4.550 0.059 0.000 0.330 104 Y C 1.422 177.329 175.900 0.012 0.000 1.186 104 Y CA -0.915 57.174 58.100 -0.018 0.000 1.467 104 Y CB 0.468 38.922 38.460 -0.010 0.000 1.262 104 Y HN -0.210 nan 8.280 nan 0.000 0.550 105 R N 5.572 125.821 120.500 -0.419 0.000 2.107 105 R HA 0.042 4.417 4.340 0.059 0.000 0.223 105 R C -1.795 174.320 176.300 -0.309 0.000 1.138 105 R CA 1.171 57.096 56.100 -0.291 0.000 0.900 105 R CB -1.630 28.529 30.300 -0.234 0.000 0.814 105 R HN 0.617 nan 8.270 nan 0.000 0.437 106 P HA 0.038 nan 4.420 nan 0.000 0.268 106 P C -0.885 176.443 177.300 0.046 0.000 1.282 106 P CA 0.190 63.193 63.100 -0.161 0.000 0.880 106 P CB 0.571 32.205 31.700 -0.111 0.000 0.971 107 S N 3.184 118.967 115.700 0.137 0.000 2.702 107 S HA -0.044 4.462 4.470 0.059 0.000 0.314 107 S C 1.392 176.134 174.600 0.236 0.000 1.244 107 S CA 0.041 58.374 58.200 0.220 0.000 1.058 107 S CB -0.126 63.179 63.200 0.176 0.000 0.783 107 S HN 0.405 nan 8.310 nan 0.000 0.503 108 S N 4.646 120.483 115.700 0.227 0.000 2.425 108 S HA 0.060 4.566 4.470 0.059 0.000 0.225 108 S C 2.222 176.852 174.600 0.050 0.000 1.024 108 S CA 0.614 58.880 58.200 0.109 0.000 0.951 108 S CB -0.421 62.791 63.200 0.019 0.000 0.796 108 S HN 0.906 nan 8.310 nan 0.000 0.498 109 A N 1.637 124.501 122.820 0.074 0.000 1.898 109 A HA -0.052 4.303 4.320 0.059 0.000 0.216 109 A C 2.274 179.897 177.584 0.065 0.000 1.181 109 A CA 1.685 53.760 52.037 0.063 0.000 0.620 109 A CB -0.981 18.072 19.000 0.087 0.000 0.819 109 A HN 0.403 nan 8.150 nan 0.000 0.442 110 S N -0.110 115.653 115.700 0.106 0.000 2.378 110 S HA -0.265 4.240 4.470 0.059 0.000 0.229 110 S C 2.162 176.778 174.600 0.027 0.000 1.052 110 S CA 1.748 60.041 58.200 0.154 0.000 1.084 110 S CB -0.396 62.998 63.200 0.322 0.000 0.950 110 S HN 0.657 nan 8.310 nan 0.000 0.440 111 Q N -0.146 119.552 119.800 -0.170 0.000 2.084 111 Q HA -0.113 4.262 4.340 0.059 0.000 0.202 111 Q C 2.608 178.498 176.000 -0.183 0.000 0.978 111 Q CA 1.314 56.886 55.803 -0.386 0.000 0.844 111 Q CB -0.691 27.822 28.738 -0.375 0.000 0.898 111 Q HN 0.610 nan 8.270 nan 0.000 0.426 112 C N 0.005 119.247 119.300 -0.097 0.000 2.432 112 C HA -0.088 4.407 4.460 0.059 0.000 0.277 112 C C 2.884 177.854 174.990 -0.033 0.000 1.249 112 C CA 0.360 59.327 59.018 -0.086 0.000 1.725 112 C CB -1.091 26.613 27.740 -0.060 0.000 2.028 112 C HN 0.271 nan 8.230 nan 0.000 0.477 113 V N 1.562 121.515 119.914 0.065 0.000 2.282 113 V HA -0.286 3.869 4.120 0.059 0.000 0.249 113 V C 2.750 178.929 176.094 0.142 0.000 1.057 113 V CA 2.456 64.873 62.300 0.195 0.000 1.032 113 V CB -1.293 30.622 31.823 0.154 0.000 0.645 113 V HN 0.625 nan 8.190 nan 0.000 0.447 114 A N 0.177 123.032 122.820 0.060 0.000 1.902 114 A HA -0.095 4.261 4.320 0.059 0.000 0.217 114 A C 2.424 180.007 177.584 -0.002 0.000 1.181 114 A CA 1.963 54.028 52.037 0.048 0.000 0.623 114 A CB -1.254 17.782 19.000 0.060 0.000 0.818 114 A HN 0.553 nan 8.150 nan 0.000 0.443 115 G N -0.037 108.720 108.800 -0.071 0.000 2.440 115 G HA2 -0.193 3.803 3.960 0.059 0.000 0.218 115 G HA3 -0.193 3.803 3.960 0.059 0.000 0.218 115 G C 1.530 176.311 174.900 -0.198 0.000 1.154 115 G CA 1.205 46.229 45.100 -0.126 0.000 0.767 115 G HN 0.486 nan 8.290 nan 0.000 0.552 116 I N 1.157 121.590 120.570 -0.228 0.000 2.233 116 I HA -0.063 4.143 4.170 0.059 0.000 0.243 116 I C 3.299 179.422 176.117 0.009 0.000 1.093 116 I CA 0.829 61.913 61.300 -0.360 0.000 1.380 116 I CB -0.270 37.485 38.000 -0.408 0.000 1.067 116 I HN 0.224 nan 8.210 nan 0.000 0.413 117 A N 0.076 123.036 122.820 0.234 0.000 1.948 117 A HA -0.275 4.080 4.320 0.059 0.000 0.220 117 A C 2.405 180.064 177.584 0.124 0.000 1.177 117 A CA 2.004 54.196 52.037 0.258 0.000 0.636 117 A CB -1.381 17.697 19.000 0.131 0.000 0.815 117 A HN 0.576 nan 8.150 nan 0.000 0.449 118 C N -1.367 117.968 119.300 0.059 0.000 2.410 118 C HA 0.064 4.560 4.460 0.059 0.000 0.281 118 C C 3.145 178.168 174.990 0.056 0.000 1.318 118 C CA 0.898 59.941 59.018 0.041 0.000 1.776 118 C CB -1.345 26.406 27.740 0.019 0.000 1.942 118 C HN 0.709 nan 8.230 nan 0.000 0.508 119 A N 0.066 122.923 122.820 0.062 0.000 1.901 119 A HA 0.004 4.359 4.320 0.059 0.000 0.210 119 A C 2.137 179.830 177.584 0.181 0.000 1.208 119 A CA 0.661 52.769 52.037 0.119 0.000 0.644 119 A CB -0.317 18.760 19.000 0.128 0.000 0.863 119 A HN 0.545 nan 8.150 nan 0.000 0.454 120 E N 0.296 120.636 120.200 0.232 0.000 2.028 120 E HA -0.118 4.268 4.350 0.059 0.000 0.191 120 E C 2.014 178.737 176.600 0.204 0.000 0.988 120 E CA 1.051 57.614 56.400 0.272 0.000 0.799 120 E CB -0.427 29.515 29.700 0.404 0.000 0.755 120 E HN 0.616 nan 8.360 nan 0.000 0.447 121 I N 2.065 122.741 120.570 0.177 0.000 2.145 121 I HA -0.241 3.965 4.170 0.059 0.000 0.244 121 I C -0.500 175.656 176.117 0.064 0.000 1.075 121 I CA 1.436 62.792 61.300 0.095 0.000 1.332 121 I CB -1.499 36.522 38.000 0.034 0.000 1.033 121 I HN 0.097 nan 8.210 nan 0.000 0.410 122 P HA -0.086 nan 4.420 nan 0.000 0.229 122 P C 0.655 177.988 177.300 0.054 0.000 1.150 122 P CA 1.320 64.448 63.100 0.046 0.000 0.765 122 P CB 0.011 31.740 31.700 0.048 0.000 0.783 123 V N -0.362 119.596 119.914 0.074 0.000 2.872 123 V HA 0.154 4.309 4.120 0.059 0.000 0.367 123 V C 0.424 176.564 176.094 0.078 0.000 1.343 123 V CA -0.586 61.756 62.300 0.070 0.000 1.219 123 V CB -0.865 31.002 31.823 0.075 0.000 1.308 123 V HN 0.078 nan 8.190 nan 0.000 0.610 124 N N 1.922 120.668 118.700 0.076 0.000 2.701 124 N HA -0.277 4.498 4.740 0.059 0.000 0.257 124 N C 1.180 176.757 175.510 0.112 0.000 0.969 124 N CA 1.149 54.248 53.050 0.082 0.000 0.786 124 N CB -0.146 38.374 38.487 0.055 0.000 0.917 124 N HN 0.675 nan 8.380 nan 0.000 0.541 125 Q N -1.181 118.711 119.800 0.153 0.000 2.360 125 Q HA 0.079 4.454 4.340 0.059 0.000 0.202 125 Q C -0.424 175.727 176.000 0.252 0.000 0.915 125 Q CA 0.394 56.294 55.803 0.161 0.000 0.943 125 Q CB 0.273 29.100 28.738 0.149 0.000 1.064 125 Q HN 0.474 nan 8.270 nan 0.000 0.511 126 W N 1.105 122.436 121.300 0.052 0.000 1.949 126 W HA 0.419 5.114 4.660 0.059 0.000 0.299 126 W C -2.526 174.009 176.519 0.026 0.000 0.959 126 W CA -2.431 54.943 57.345 0.048 0.000 1.665 126 W CB 1.278 30.777 29.460 0.064 0.000 1.829 126 W HN -0.002 nan 8.180 nan 0.000 0.375 127 P HA -0.118 nan 4.420 nan 0.000 0.230 127 P C 0.417 177.723 177.300 0.010 0.000 1.158 127 P CA 1.405 64.553 63.100 0.080 0.000 0.769 127 P CB 0.535 32.284 31.700 0.082 0.000 0.807 128 E N -0.864 119.364 120.200 0.047 0.000 2.474 128 E HA 0.022 4.407 4.350 0.059 0.000 0.194 128 E C 1.742 178.199 176.600 -0.239 0.000 1.041 128 E CA -0.103 56.284 56.400 -0.022 0.000 0.874 128 E CB -0.729 29.046 29.700 0.124 0.000 0.914 128 E HN 0.105 nan 8.360 nan 0.000 0.498 129 L N 0.839 121.687 121.223 -0.625 0.000 1.937 129 L HA -0.179 4.196 4.340 0.059 0.000 0.213 129 L C 1.769 178.392 176.870 -0.411 0.000 1.077 129 L CA 1.647 55.988 54.840 -0.831 0.000 0.758 129 L CB -0.517 40.744 42.059 -1.330 0.000 0.888 129 L HN 0.099 nan 8.230 nan 0.000 0.433 130 I N 0.765 121.150 120.570 -0.309 0.000 2.087 130 I HA -0.239 3.966 4.170 0.059 0.000 0.240 130 I C -0.163 175.881 176.117 -0.123 0.000 1.054 130 I CA 2.092 63.284 61.300 -0.181 0.000 1.311 130 I CB -3.103 34.819 38.000 -0.131 0.000 1.024 130 I HN 0.310 nan 8.210 nan 0.000 0.402 131 P HA -0.223 nan 4.420 nan 0.000 0.217 131 P C 1.685 178.952 177.300 -0.055 0.000 1.148 131 P CA 1.759 64.823 63.100 -0.060 0.000 0.828 131 P CB 0.015 31.689 31.700 -0.044 0.000 0.783 132 Q N 0.248 119.999 119.800 -0.081 0.000 2.020 132 Q HA -0.068 4.307 4.340 0.059 0.000 0.198 132 Q C 2.416 178.386 176.000 -0.051 0.000 0.974 132 Q CA 1.285 57.053 55.803 -0.059 0.000 0.829 132 Q CB -1.125 27.568 28.738 -0.075 0.000 0.894 132 Q HN 0.154 nan 8.270 nan 0.000 0.433 133 L N -0.460 120.714 121.223 -0.080 0.000 2.012 133 L HA -0.197 4.178 4.340 0.059 0.000 0.210 133 L C 2.345 179.197 176.870 -0.030 0.000 1.073 133 L CA 1.235 56.042 54.840 -0.054 0.000 0.748 133 L CB -0.992 41.021 42.059 -0.075 0.000 0.891 133 L HN 0.120 nan 8.230 nan 0.000 0.431 134 V N 0.522 120.416 119.914 -0.034 0.000 2.252 134 V HA -0.358 3.797 4.120 0.059 0.000 0.249 134 V C 2.884 178.974 176.094 -0.006 0.000 1.056 134 V CA 2.052 64.343 62.300 -0.015 0.000 1.022 134 V CB -1.121 30.694 31.823 -0.014 0.000 0.641 134 V HN 0.517 nan 8.190 nan 0.000 0.445 135 A N 0.433 123.248 122.820 -0.008 0.000 1.883 135 A HA -0.290 4.065 4.320 0.059 0.000 0.217 135 A C 2.044 179.632 177.584 0.007 0.000 1.186 135 A CA 2.402 54.439 52.037 0.001 0.000 0.624 135 A CB -0.865 18.137 19.000 0.002 0.000 0.822 135 A HN 0.602 nan 8.150 nan 0.000 0.444 136 N N -0.010 118.694 118.700 0.007 0.000 2.094 136 N HA -0.137 4.638 4.740 0.059 0.000 0.191 136 N C 1.587 177.105 175.510 0.014 0.000 1.023 136 N CA 1.744 54.804 53.050 0.016 0.000 0.857 136 N CB -0.606 37.891 38.487 0.018 0.000 1.013 136 N HN 0.299 nan 8.380 nan 0.000 0.426 137 V N 0.503 120.422 119.914 0.007 0.000 2.323 137 V HA -0.160 3.995 4.120 0.059 0.000 0.244 137 V C 2.488 178.586 176.094 0.008 0.000 1.041 137 V CA 2.062 64.366 62.300 0.006 0.000 1.025 137 V CB -1.203 30.621 31.823 0.001 0.000 0.656 137 V HN 0.535 nan 8.190 nan 0.000 0.451 138 T N -1.683 112.877 114.554 0.010 0.000 2.821 138 T HA -0.132 4.253 4.350 0.059 0.000 0.267 138 T C 1.195 175.902 174.700 0.011 0.000 1.046 138 T CA 0.695 62.802 62.100 0.013 0.000 1.139 138 T CB -0.672 68.204 68.868 0.014 0.000 0.871 138 T HN 0.391 nan 8.240 nan 0.000 0.454 139 N N 3.720 122.426 118.700 0.011 0.000 2.223 139 N HA -0.029 4.746 4.740 0.059 0.000 0.271 139 N C -1.385 174.132 175.510 0.011 0.000 1.315 139 N CA -0.769 52.288 53.050 0.012 0.000 0.835 139 N CB 1.213 39.709 38.487 0.015 0.000 1.066 139 N HN 0.254 nan 8.380 nan 0.000 0.486 140 P HA -0.054 nan 4.420 nan 0.000 0.230 140 P C -0.150 177.154 177.300 0.008 0.000 1.158 140 P CA 1.089 64.194 63.100 0.007 0.000 0.769 140 P CB 0.220 31.923 31.700 0.006 0.000 0.807 141 N N -0.878 117.829 118.700 0.010 0.000 2.203 141 N HA 0.085 4.860 4.740 0.059 0.000 0.207 141 N C -0.093 175.426 175.510 0.016 0.000 1.130 141 N CA -0.241 52.816 53.050 0.012 0.000 0.861 141 N CB 0.260 38.755 38.487 0.013 0.000 1.005 141 N HN -0.023 nan 8.380 nan 0.000 0.507 142 S N 1.306 117.016 115.700 0.017 0.000 2.549 142 S HA 0.066 4.571 4.470 0.059 0.000 0.279 142 S C 0.883 175.495 174.600 0.021 0.000 1.321 142 S CA -0.471 57.743 58.200 0.023 0.000 1.054 142 S CB 0.902 64.115 63.200 0.022 0.000 0.899 142 S HN 0.263 nan 8.310 nan 0.000 0.497 143 T N 0.069 114.643 114.554 0.033 0.000 2.748 143 T HA 0.158 4.543 4.350 0.059 0.000 0.304 143 T C 1.214 175.920 174.700 0.010 0.000 1.041 143 T CA -0.565 61.555 62.100 0.032 0.000 1.033 143 T CB 0.482 69.392 68.868 0.071 0.000 0.995 143 T HN 0.737 nan 8.240 nan 0.000 0.536 144 E N -0.177 120.001 120.200 -0.037 0.000 2.047 144 E HA -0.241 4.144 4.350 0.059 0.000 0.191 144 E C 1.833 178.371 176.600 -0.104 0.000 0.987 144 E CA 1.041 57.378 56.400 -0.106 0.000 0.799 144 E CB -0.192 29.389 29.700 -0.198 0.000 0.752 144 E HN 0.731 nan 8.360 nan 0.000 0.449 145 H N 0.075 119.154 119.070 0.015 0.000 2.352 145 H HA -0.159 4.433 4.556 0.059 0.000 0.299 145 H C 2.205 177.549 175.328 0.027 0.000 1.097 145 H CA 1.813 57.874 56.048 0.022 0.000 1.311 145 H CB -0.387 29.392 29.762 0.030 0.000 1.377 145 H HN 0.290 nan 8.280 nan 0.000 0.504 146 M N 1.394 121.081 119.600 0.146 0.000 2.082 146 M HA -0.175 4.340 4.480 0.059 0.000 0.258 146 M C 2.005 178.342 176.300 0.062 0.000 1.069 146 M CA 1.780 57.137 55.300 0.095 0.000 1.102 146 M CB -0.059 32.584 32.600 0.073 0.000 1.336 146 M HN 0.000 nan 8.290 nan 0.000 0.404 147 K N -0.492 119.930 120.400 0.037 0.000 2.001 147 K HA -0.186 4.169 4.320 0.059 0.000 0.208 147 K C 2.143 178.751 176.600 0.013 0.000 1.048 147 K CA 1.802 58.098 56.287 0.015 0.000 0.932 147 K CB -0.418 32.079 32.500 -0.004 0.000 0.715 147 K HN 0.556 nan 8.250 nan 0.000 0.437 148 E N 0.843 121.049 120.200 0.011 0.000 2.049 148 E HA -0.214 4.172 4.350 0.059 0.000 0.198 148 E C 1.965 178.587 176.600 0.036 0.000 1.007 148 E CA 1.820 58.227 56.400 0.010 0.000 0.809 148 E CB 0.064 29.768 29.700 0.007 0.000 0.749 148 E HN 0.126 nan 8.360 nan 0.000 0.450 149 S N -0.040 115.704 115.700 0.074 0.000 2.359 149 S HA -0.205 4.300 4.470 0.059 0.000 0.223 149 S C 2.083 176.727 174.600 0.074 0.000 1.039 149 S CA 1.875 60.131 58.200 0.092 0.000 1.042 149 S CB -0.701 62.565 63.200 0.109 0.000 0.915 149 S HN 0.407 nan 8.310 nan 0.000 0.439 150 T N 2.777 117.364 114.554 0.054 0.000 2.720 150 T HA -0.007 4.378 4.350 0.059 0.000 0.268 150 T C 1.795 176.507 174.700 0.020 0.000 1.037 150 T CA 1.087 63.208 62.100 0.036 0.000 1.144 150 T CB -0.490 68.391 68.868 0.021 0.000 0.864 150 T HN 0.222 nan 8.240 nan 0.000 0.444 151 L N 0.599 121.826 121.223 0.007 0.000 2.046 151 L HA -0.112 4.263 4.340 0.059 0.000 0.208 151 L C 2.769 179.618 176.870 -0.034 0.000 1.077 151 L CA 1.418 56.248 54.840 -0.016 0.000 0.747 151 L CB -0.555 41.487 42.059 -0.027 0.000 0.896 151 L HN 0.322 nan 8.230 nan 0.000 0.432 152 E N 0.033 120.216 120.200 -0.027 0.000 2.085 152 E HA -0.265 4.120 4.350 0.059 0.000 0.194 152 E C 2.295 178.879 176.600 -0.027 0.000 0.994 152 E CA 1.275 57.625 56.400 -0.083 0.000 0.801 152 E CB -0.205 29.505 29.700 0.017 0.000 0.743 152 E HN 0.528 nan 8.360 nan 0.000 0.453 153 A N 1.124 124.010 122.820 0.110 0.000 1.902 153 A HA -0.175 4.180 4.320 0.059 0.000 0.217 153 A C 2.174 179.822 177.584 0.106 0.000 1.181 153 A CA 1.091 53.236 52.037 0.180 0.000 0.623 153 A CB -0.574 18.493 19.000 0.112 0.000 0.818 153 A HN 0.151 nan 8.150 nan 0.000 0.443 154 I N -0.349 120.242 120.570 0.036 0.000 2.226 154 I HA -0.216 3.989 4.170 0.059 0.000 0.245 154 I C 2.674 178.810 176.117 0.033 0.000 1.100 154 I CA 1.121 62.436 61.300 0.026 0.000 1.374 154 I CB -0.593 37.415 38.000 0.012 0.000 1.057 154 I HN 0.418 nan 8.210 nan 0.000 0.413 155 G N -0.039 108.741 108.800 -0.034 0.000 2.418 155 G HA2 -0.263 3.732 3.960 0.059 0.000 0.217 155 G HA3 -0.263 3.732 3.960 0.059 0.000 0.217 155 G C 1.442 176.305 174.900 -0.062 0.000 1.158 155 G CA 0.593 45.636 45.100 -0.095 0.000 0.771 155 G HN 0.246 nan 8.290 nan 0.000 0.545 156 Y N 0.694 121.010 120.300 0.027 0.000 2.181 156 Y HA 0.023 4.608 4.550 0.059 0.000 0.288 156 Y C 2.768 178.685 175.900 0.030 0.000 1.146 156 Y CA 0.550 58.665 58.100 0.026 0.000 1.164 156 Y CB -0.394 38.080 38.460 0.022 0.000 0.982 156 Y HN 0.126 nan 8.280 nan 0.000 0.515 157 I N -1.277 119.403 120.570 0.182 0.000 2.163 157 I HA -0.379 3.826 4.170 0.059 0.000 0.243 157 I C 2.253 178.432 176.117 0.104 0.000 1.085 157 I CA 1.358 62.720 61.300 0.104 0.000 1.347 157 I CB -0.641 37.385 38.000 0.044 0.000 1.044 157 I HN 0.248 nan 8.210 nan 0.000 0.408 158 C N -0.087 119.297 119.300 0.141 0.000 2.422 158 C HA -0.171 4.324 4.460 0.059 0.000 0.279 158 C C 2.804 177.904 174.990 0.182 0.000 1.305 158 C CA 0.807 59.971 59.018 0.244 0.000 1.757 158 C CB -1.155 26.777 27.740 0.319 0.000 1.962 158 C HN 0.562 nan 8.230 nan 0.000 0.499 159 Q N 0.327 120.202 119.800 0.124 0.000 2.245 159 Q HA -0.137 4.238 4.340 0.059 0.000 0.201 159 Q C 1.140 177.200 176.000 0.099 0.000 0.955 159 Q CA 1.304 57.166 55.803 0.098 0.000 0.870 159 Q CB 0.003 28.793 28.738 0.088 0.000 0.945 159 Q HN 0.625 nan 8.270 nan 0.000 0.461 160 D N -0.251 120.213 120.400 0.106 0.000 2.380 160 D HA 0.159 4.835 4.640 0.059 0.000 0.212 160 D C 0.542 176.878 176.300 0.060 0.000 1.021 160 D CA 0.181 54.229 54.000 0.079 0.000 0.884 160 D CB 0.769 41.615 40.800 0.077 0.000 1.001 160 D HN 0.229 nan 8.370 nan 0.000 0.506 161 I N 1.741 122.346 120.570 0.058 0.000 2.612 161 I HA 0.032 4.237 4.170 0.059 0.000 0.295 161 I C 0.405 176.548 176.117 0.043 0.000 1.011 161 I CA -0.554 60.767 61.300 0.035 0.000 1.326 161 I CB 1.025 39.026 38.000 0.001 0.000 1.427 161 I HN -0.315 nan 8.210 nan 0.000 0.537 162 D N 7.186 127.605 120.400 0.032 0.000 2.401 162 D HA 0.035 4.710 4.640 0.059 0.000 0.254 162 D C -1.309 175.018 176.300 0.045 0.000 1.192 162 D CA -1.009 53.017 54.000 0.043 0.000 0.885 162 D CB 1.120 41.940 40.800 0.032 0.000 1.147 162 D HN 0.318 nan 8.370 nan 0.000 0.478 163 P HA -0.211 nan 4.420 nan 0.000 0.218 163 P C 1.106 178.466 177.300 0.099 0.000 1.146 163 P CA 0.988 64.207 63.100 0.199 0.000 0.813 163 P CB 0.553 32.429 31.700 0.293 0.000 0.778 164 E N 0.516 120.756 120.200 0.068 0.000 2.265 164 E HA -0.182 4.203 4.350 0.059 0.000 0.196 164 E C 1.909 178.514 176.600 0.008 0.000 0.996 164 E CA 1.319 57.748 56.400 0.048 0.000 0.832 164 E CB -0.542 29.183 29.700 0.043 0.000 0.756 164 E HN 0.373 nan 8.360 nan 0.000 0.491 165 Q N -1.048 118.735 119.800 -0.028 0.000 2.282 165 Q HA 0.231 4.606 4.340 0.059 0.000 0.206 165 Q C 1.111 177.031 176.000 -0.133 0.000 0.878 165 Q CA -0.044 55.727 55.803 -0.054 0.000 0.944 165 Q CB 0.706 29.427 28.738 -0.029 0.000 1.100 165 Q HN 0.268 nan 8.270 nan 0.000 0.509 166 L N 0.099 121.165 121.223 -0.262 0.000 2.766 166 L HA 0.104 4.479 4.340 0.059 0.000 0.242 166 L C 2.016 178.633 176.870 -0.420 0.000 1.136 166 L CA 0.192 54.745 54.840 -0.479 0.000 0.933 166 L CB 0.248 41.717 42.059 -0.984 0.000 1.241 166 L HN 0.269 nan 8.230 nan 0.000 0.522 167 Q N 0.711 120.407 119.800 -0.173 0.000 2.248 167 Q HA -0.226 4.150 4.340 0.059 0.000 0.208 167 Q C 0.746 176.761 176.000 0.025 0.000 0.984 167 Q CA 1.733 57.547 55.803 0.019 0.000 0.875 167 Q CB 0.275 29.054 28.738 0.068 0.000 0.910 167 Q HN 0.503 nan 8.270 nan 0.000 0.433 168 D N -0.666 119.720 120.400 -0.023 0.000 2.350 168 D HA 0.008 4.683 4.640 0.059 0.000 0.213 168 D C 0.712 177.002 176.300 -0.016 0.000 1.031 168 D CA 0.483 54.481 54.000 -0.003 0.000 0.861 168 D CB 0.313 41.110 40.800 -0.005 0.000 0.926 168 D HN 0.258 nan 8.370 nan 0.000 0.520 169 K N 0.413 120.778 120.400 -0.058 0.000 2.374 169 K HA 0.069 4.424 4.320 0.059 0.000 0.202 169 K C 1.885 178.477 176.600 -0.012 0.000 1.040 169 K CA 0.038 56.291 56.287 -0.057 0.000 1.085 169 K CB 0.754 33.187 32.500 -0.111 0.000 0.873 169 K HN -0.051 nan 8.250 nan 0.000 0.539 170 S N 1.297 117.024 115.700 0.044 0.000 2.392 170 S HA -0.280 4.225 4.470 0.059 0.000 0.232 170 S C 1.780 176.477 174.600 0.163 0.000 1.041 170 S CA 1.817 60.158 58.200 0.236 0.000 1.026 170 S CB -0.409 63.010 63.200 0.365 0.000 0.845 170 S HN 0.269 nan 8.310 nan 0.000 0.465 171 N N 2.047 120.805 118.700 0.097 0.000 2.000 171 N HA -0.153 4.622 4.740 0.059 0.000 0.198 171 N C 1.646 177.193 175.510 0.062 0.000 1.057 171 N CA 2.085 55.178 53.050 0.072 0.000 0.858 171 N CB -0.416 38.100 38.487 0.049 0.000 1.057 171 N HN 0.549 nan 8.380 nan 0.000 0.423 172 E N 0.191 120.414 120.200 0.040 0.000 2.110 172 E HA -0.090 4.296 4.350 0.059 0.000 0.193 172 E C 2.054 178.674 176.600 0.033 0.000 0.988 172 E CA 0.807 57.223 56.400 0.026 0.000 0.804 172 E CB -0.278 29.423 29.700 0.001 0.000 0.745 172 E HN 0.491 nan 8.360 nan 0.000 0.458 173 I N 0.445 121.044 120.570 0.049 0.000 2.179 173 I HA -0.269 3.936 4.170 0.059 0.000 0.242 173 I C 2.170 178.332 176.117 0.076 0.000 1.088 173 I CA 1.059 62.402 61.300 0.070 0.000 1.357 173 I CB -0.263 37.815 38.000 0.130 0.000 1.051 173 I HN 0.103 nan 8.210 nan 0.000 0.409 174 L N 0.001 121.277 121.223 0.089 0.000 2.083 174 L HA -0.211 4.165 4.340 0.059 0.000 0.209 174 L C 2.642 179.523 176.870 0.017 0.000 1.083 174 L CA 1.509 56.373 54.840 0.039 0.000 0.752 174 L CB -0.923 41.159 42.059 0.037 0.000 0.899 174 L HN 0.273 nan 8.230 nan 0.000 0.433 175 T N -0.017 114.568 114.554 0.051 0.000 2.665 175 T HA -0.245 4.140 4.350 0.059 0.000 0.268 175 T C 1.991 176.714 174.700 0.039 0.000 1.035 175 T CA 1.546 63.688 62.100 0.069 0.000 1.151 175 T CB -0.278 68.629 68.868 0.066 0.000 0.862 175 T HN 0.480 nan 8.240 nan 0.000 0.438 176 A N 0.918 123.752 122.820 0.023 0.000 1.877 176 A HA -0.009 4.347 4.320 0.059 0.000 0.216 176 A C 2.313 179.893 177.584 -0.007 0.000 1.186 176 A CA 1.227 53.270 52.037 0.009 0.000 0.620 176 A CB -0.756 18.247 19.000 0.004 0.000 0.822 176 A HN 0.520 nan 8.150 nan 0.000 0.443 177 I N -0.236 120.325 120.570 -0.016 0.000 2.113 177 I HA -0.271 3.934 4.170 0.059 0.000 0.238 177 I C 2.313 178.383 176.117 -0.079 0.000 1.070 177 I CA 1.575 62.849 61.300 -0.043 0.000 1.332 177 I CB -0.426 37.547 38.000 -0.045 0.000 1.044 177 I HN 0.289 nan 8.210 nan 0.000 0.402 178 I N 0.380 120.879 120.570 -0.118 0.000 2.264 178 I HA -0.323 3.882 4.170 0.059 0.000 0.248 178 I C 2.656 178.708 176.117 -0.108 0.000 1.111 178 I CA 1.293 62.466 61.300 -0.211 0.000 1.382 178 I CB -0.418 37.319 38.000 -0.439 0.000 1.060 178 I HN 0.317 nan 8.210 nan 0.000 0.418 179 Q N 1.515 121.301 119.800 -0.023 0.000 2.124 179 Q HA -0.144 4.231 4.340 0.059 0.000 0.202 179 Q C 2.129 178.122 176.000 -0.011 0.000 0.977 179 Q CA 2.128 57.941 55.803 0.017 0.000 0.850 179 Q CB -0.631 28.126 28.738 0.032 0.000 0.901 179 Q HN 0.467 nan 8.270 nan 0.000 0.429 180 G N -0.374 108.409 108.800 -0.029 0.000 2.484 180 G HA2 -0.147 3.848 3.960 0.059 0.000 0.218 180 G HA3 -0.147 3.848 3.960 0.059 0.000 0.218 180 G C 1.248 176.120 174.900 -0.047 0.000 1.130 180 G CA 0.667 45.746 45.100 -0.034 0.000 0.784 180 G HN 0.365 nan 8.290 nan 0.000 0.543 181 M N 0.589 120.149 119.600 -0.067 0.000 2.541 181 M HA 0.141 4.657 4.480 0.059 0.000 0.252 181 M C 1.343 177.601 176.300 -0.069 0.000 1.125 181 M CA -0.129 55.124 55.300 -0.080 0.000 1.091 181 M CB 0.100 32.630 32.600 -0.116 0.000 1.420 181 M HN 0.219 nan 8.290 nan 0.000 0.486 182 R N 1.690 122.161 120.500 -0.049 0.000 2.678 182 R HA -0.077 4.298 4.340 0.059 0.000 0.264 182 R C 0.855 177.140 176.300 -0.024 0.000 0.995 182 R CA 0.478 56.564 56.100 -0.023 0.000 1.098 182 R CB 0.392 30.700 30.300 0.013 0.000 0.949 182 R HN 0.142 nan 8.270 nan 0.000 0.422 183 K N 1.729 122.118 120.400 -0.018 0.000 2.063 183 K HA -0.206 4.149 4.320 0.059 0.000 0.208 183 K C 0.891 177.481 176.600 -0.015 0.000 1.048 183 K CA 2.163 58.438 56.287 -0.020 0.000 0.928 183 K CB 0.064 32.554 32.500 -0.015 0.000 0.713 183 K HN 0.729 nan 8.250 nan 0.000 0.442 184 E N 1.175 121.370 120.200 -0.008 0.000 2.515 184 E HA -0.104 4.281 4.350 0.059 0.000 0.201 184 E C -0.179 176.415 176.600 -0.010 0.000 1.071 184 E CA 0.321 56.717 56.400 -0.007 0.000 0.880 184 E CB -0.058 29.641 29.700 -0.001 0.000 0.828 184 E HN 0.254 nan 8.360 nan 0.000 0.540 185 E N 1.031 121.223 120.200 -0.015 0.000 2.299 185 E HA 0.023 4.408 4.350 0.059 0.000 0.272 185 E C -1.801 174.785 176.600 -0.023 0.000 1.043 185 E CA -1.884 54.505 56.400 -0.019 0.000 0.895 185 E CB 0.826 30.511 29.700 -0.024 0.000 1.011 185 E HN -0.139 nan 8.360 nan 0.000 0.432 186 P HA -0.111 nan 4.420 nan 0.000 0.215 186 P C -0.155 177.126 177.300 -0.033 0.000 1.157 186 P CA 0.954 64.039 63.100 -0.025 0.000 0.868 186 P CB 0.163 31.849 31.700 -0.024 0.000 0.788 187 S N -0.265 115.411 115.700 -0.040 0.000 2.499 187 S HA 0.130 4.635 4.470 0.059 0.000 0.275 187 S C 1.212 175.784 174.600 -0.046 0.000 1.257 187 S CA -0.617 57.553 58.200 -0.050 0.000 1.050 187 S CB -0.318 62.842 63.200 -0.067 0.000 0.937 187 S HN -0.060 nan 8.310 nan 0.000 0.490 188 N N 4.774 123.447 118.700 -0.045 0.000 2.331 188 N HA -0.055 4.720 4.740 0.059 0.000 0.180 188 N C 1.155 176.637 175.510 -0.047 0.000 1.019 188 N CA 0.606 53.630 53.050 -0.042 0.000 0.881 188 N CB -0.274 38.190 38.487 -0.038 0.000 0.972 188 N HN 0.632 nan 8.380 nan 0.000 0.435 189 N N 0.836 119.504 118.700 -0.053 0.000 2.106 189 N HA -0.083 4.693 4.740 0.059 0.000 0.188 189 N C 1.904 177.382 175.510 -0.053 0.000 1.029 189 N CA 0.737 53.754 53.050 -0.055 0.000 0.848 189 N CB -0.446 38.001 38.487 -0.067 0.000 1.007 189 N HN 0.023 nan 8.380 nan 0.000 0.423 190 V N 2.061 121.942 119.914 -0.055 0.000 2.332 190 V HA -0.224 3.931 4.120 0.059 0.000 0.248 190 V C 2.301 178.367 176.094 -0.047 0.000 1.055 190 V CA 1.547 63.818 62.300 -0.047 0.000 1.038 190 V CB -0.461 31.336 31.823 -0.044 0.000 0.651 190 V HN 0.296 nan 8.190 nan 0.000 0.450 191 K N -0.456 119.915 120.400 -0.048 0.000 2.032 191 K HA -0.215 4.140 4.320 0.059 0.000 0.209 191 K C 2.133 178.700 176.600 -0.054 0.000 1.048 191 K CA 1.632 57.889 56.287 -0.050 0.000 0.927 191 K CB -0.479 31.992 32.500 -0.048 0.000 0.712 191 K HN 0.271 nan 8.250 nan 0.000 0.441 192 L N 1.278 122.470 121.223 -0.052 0.000 1.989 192 L HA -0.197 4.178 4.340 0.059 0.000 0.211 192 L C 2.248 179.081 176.870 -0.061 0.000 1.071 192 L CA 2.112 56.920 54.840 -0.054 0.000 0.749 192 L CB -0.934 41.096 42.059 -0.050 0.000 0.890 192 L HN 0.169 nan 8.230 nan 0.000 0.431 193 A N -0.582 122.201 122.820 -0.060 0.000 1.883 193 A HA -0.171 4.184 4.320 0.059 0.000 0.217 193 A C 2.451 179.993 177.584 -0.070 0.000 1.186 193 A CA 2.292 54.287 52.037 -0.069 0.000 0.624 193 A CB -1.308 17.657 19.000 -0.058 0.000 0.822 193 A HN 0.626 nan 8.150 nan 0.000 0.444 194 A N -1.223 121.560 122.820 -0.061 0.000 1.902 194 A HA -0.099 4.256 4.320 0.059 0.000 0.217 194 A C 2.306 179.848 177.584 -0.071 0.000 1.181 194 A CA 2.331 54.331 52.037 -0.061 0.000 0.623 194 A CB -1.310 17.655 19.000 -0.059 0.000 0.818 194 A HN 0.437 nan 8.150 nan 0.000 0.443 195 T N 0.652 115.163 114.554 -0.072 0.000 2.788 195 T HA -0.111 4.274 4.350 0.059 0.000 0.268 195 T C 1.762 176.418 174.700 -0.074 0.000 1.044 195 T CA 1.422 63.477 62.100 -0.075 0.000 1.139 195 T CB -0.363 68.463 68.868 -0.070 0.000 0.867 195 T HN 0.496 nan 8.240 nan 0.000 0.454 196 N N 1.311 119.965 118.700 -0.076 0.000 2.270 196 N HA 0.072 4.847 4.740 0.059 0.000 0.181 196 N C 2.097 177.555 175.510 -0.086 0.000 1.016 196 N CA 1.040 54.041 53.050 -0.082 0.000 0.870 196 N CB -0.398 38.033 38.487 -0.093 0.000 0.979 196 N HN 0.406 nan 8.380 nan 0.000 0.431 197 A N 1.071 123.841 122.820 -0.084 0.000 1.969 197 A HA -0.069 4.286 4.320 0.059 0.000 0.218 197 A C 2.220 179.768 177.584 -0.061 0.000 1.169 197 A CA 0.774 52.771 52.037 -0.068 0.000 0.635 197 A CB -0.565 18.403 19.000 -0.052 0.000 0.810 197 A HN 0.221 nan 8.150 nan 0.000 0.445 198 L N -0.733 120.445 121.223 -0.074 0.000 2.017 198 L HA -0.118 4.258 4.340 0.059 0.000 0.208 198 L C 2.236 179.042 176.870 -0.106 0.000 1.073 198 L CA 2.003 56.789 54.840 -0.090 0.000 0.745 198 L CB -0.598 41.406 42.059 -0.092 0.000 0.894 198 L HN 0.330 nan 8.230 nan 0.000 0.432 199 L N 0.204 121.374 121.223 -0.090 0.000 2.013 199 L HA -0.260 4.115 4.340 0.059 0.000 0.212 199 L C 2.250 179.060 176.870 -0.101 0.000 1.073 199 L CA 1.886 56.672 54.840 -0.089 0.000 0.753 199 L CB -0.984 41.032 42.059 -0.071 0.000 0.890 199 L HN 0.418 nan 8.230 nan 0.000 0.432 200 N N -0.864 117.786 118.700 -0.083 0.000 2.309 200 N HA -0.118 4.657 4.740 0.059 0.000 0.182 200 N C 1.835 177.285 175.510 -0.101 0.000 1.018 200 N CA 1.378 54.393 53.050 -0.057 0.000 0.876 200 N CB -0.196 38.283 38.487 -0.014 0.000 0.972 200 N HN 0.601 nan 8.380 nan 0.000 0.434 201 S N -0.103 115.467 115.700 -0.215 0.000 2.524 201 S HA 0.169 4.674 4.470 0.059 0.000 0.216 201 S C 1.935 175.974 174.600 -0.934 0.000 0.987 201 S CA -0.214 57.588 58.200 -0.663 0.000 0.909 201 S CB -0.257 62.709 63.200 -0.390 0.000 0.781 201 S HN 0.143 nan 8.310 nan 0.000 0.521 202 L N 1.525 122.487 121.223 -0.434 0.000 2.127 202 L HA -0.108 4.267 4.340 0.059 0.000 0.211 202 L C 2.678 179.386 176.870 -0.271 0.000 1.089 202 L CA 1.297 55.966 54.840 -0.285 0.000 0.757 202 L CB -0.651 41.318 42.059 -0.151 0.000 0.899 202 L HN 0.324 nan 8.230 nan 0.000 0.434 203 E N 0.602 120.631 120.200 -0.286 0.000 2.160 203 E HA -0.222 4.163 4.350 0.059 0.000 0.195 203 E C 1.580 178.177 176.600 -0.005 0.000 0.991 203 E CA 1.474 57.800 56.400 -0.124 0.000 0.810 203 E CB -0.268 29.416 29.700 -0.026 0.000 0.742 203 E HN 0.714 nan 8.360 nan 0.000 0.466 204 F N 0.018 120.002 119.950 0.058 0.000 2.647 204 F HA 0.341 4.904 4.527 0.060 0.000 0.300 204 F C 1.101 176.959 175.800 0.098 0.000 1.106 204 F CA -0.040 58.002 58.000 0.070 0.000 1.313 204 F CB -0.419 38.610 39.000 0.048 0.000 1.007 204 F HN -0.201 nan 8.300 nan 0.000 0.536 205 T N -3.680 110.919 114.554 0.076 0.000 3.214 205 T HA 0.170 4.555 4.350 0.059 0.000 0.264 205 T C 1.492 176.331 174.700 0.231 0.000 1.012 205 T CA -0.158 62.031 62.100 0.149 0.000 0.901 205 T CB 0.119 69.016 68.868 0.047 0.000 1.070 205 T HN 0.140 nan 8.240 nan 0.000 0.561 206 K N 2.800 123.372 120.400 0.287 0.000 2.032 206 K HA 0.104 4.459 4.320 0.059 0.000 0.209 206 K C 2.356 179.101 176.600 0.242 0.000 1.048 206 K CA 1.807 58.307 56.287 0.356 0.000 0.927 206 K CB -1.108 31.584 32.500 0.321 0.000 0.712 206 K HN 0.391 nan 8.250 nan 0.000 0.441 207 A N 1.154 124.087 122.820 0.189 0.000 1.940 207 A HA -0.215 4.140 4.320 0.059 0.000 0.219 207 A C 1.922 179.559 177.584 0.087 0.000 1.176 207 A CA 2.001 54.120 52.037 0.136 0.000 0.631 207 A CB -0.713 18.359 19.000 0.120 0.000 0.814 207 A HN 0.506 nan 8.150 nan 0.000 0.446 208 N N -1.205 117.543 118.700 0.081 0.000 2.171 208 N HA -0.094 4.681 4.740 0.059 0.000 0.184 208 N C 1.427 176.876 175.510 -0.102 0.000 1.021 208 N CA 1.243 54.299 53.050 0.010 0.000 0.854 208 N CB -0.469 38.036 38.487 0.029 0.000 0.994 208 N HN 0.484 nan 8.380 nan 0.000 0.426 209 F N 2.017 121.799 119.950 -0.280 0.000 2.408 209 F HA -0.103 4.459 4.527 0.057 0.000 0.300 209 F C 2.120 177.570 175.800 -0.583 0.000 1.090 209 F CA 0.929 58.597 58.000 -0.552 0.000 1.427 209 F CB 0.009 38.364 39.000 -1.075 0.000 1.070 209 F HN -0.014 nan 8.300 nan 0.000 0.549 210 D N 0.268 120.579 120.400 -0.148 0.000 2.317 210 D HA -0.074 4.601 4.640 0.059 0.000 0.211 210 D C 0.271 176.514 176.300 -0.095 0.000 0.966 210 D CA 0.527 54.482 54.000 -0.076 0.000 0.876 210 D CB 0.111 40.991 40.800 0.133 0.000 0.927 210 D HN 0.188 nan 8.370 nan 0.000 0.519 211 K N 1.381 121.707 120.400 -0.123 0.000 2.262 211 K HA 0.074 4.429 4.320 0.059 0.000 0.282 211 K C 1.311 177.831 176.600 -0.133 0.000 1.066 211 K CA -0.236 55.999 56.287 -0.086 0.000 0.901 211 K CB 1.351 33.817 32.500 -0.056 0.000 1.089 211 K HN 0.145 nan 8.250 nan 0.000 0.476 212 E N 1.631 121.781 120.200 -0.084 0.000 2.160 212 E HA -0.256 4.129 4.350 0.059 0.000 0.195 212 E C 1.621 178.200 176.600 -0.035 0.000 0.991 212 E CA 1.548 57.909 56.400 -0.065 0.000 0.810 212 E CB 0.052 29.738 29.700 -0.023 0.000 0.742 212 E HN 0.450 nan 8.360 nan 0.000 0.466 213 S N 1.113 116.792 115.700 -0.036 0.000 2.351 213 S HA -0.252 4.254 4.470 0.059 0.000 0.220 213 S C 1.942 176.553 174.600 0.018 0.000 1.035 213 S CA 1.761 59.953 58.200 -0.013 0.000 1.031 213 S CB -0.281 62.900 63.200 -0.032 0.000 0.928 213 S HN 0.479 nan 8.310 nan 0.000 0.433 214 E N 0.545 120.729 120.200 -0.026 0.000 2.106 214 E HA -0.126 4.259 4.350 0.059 0.000 0.192 214 E C 2.461 178.958 176.600 -0.171 0.000 0.984 214 E CA 0.690 57.084 56.400 -0.010 0.000 0.806 214 E CB -0.252 29.422 29.700 -0.043 0.000 0.750 214 E HN 0.482 nan 8.360 nan 0.000 0.458 215 R N 0.675 120.962 120.500 -0.355 0.000 2.097 215 R HA -0.252 4.123 4.340 0.059 0.000 0.236 215 R C 2.403 178.439 176.300 -0.440 0.000 1.135 215 R CA 2.102 57.773 56.100 -0.714 0.000 0.934 215 R CB -0.394 29.530 30.300 -0.626 0.000 0.846 215 R HN 0.231 nan 8.270 nan 0.000 0.431 216 H N -0.481 118.479 119.070 -0.184 0.000 2.352 216 H HA -0.190 4.401 4.556 0.058 0.000 0.299 216 H C 1.716 177.043 175.328 -0.002 0.000 1.097 216 H CA 2.200 58.241 56.048 -0.012 0.000 1.311 216 H CB -0.411 29.401 29.762 0.083 0.000 1.377 216 H HN 0.286 nan 8.280 nan 0.000 0.504 217 F N 0.658 120.505 119.950 -0.172 0.000 2.102 217 F HA -0.140 4.422 4.527 0.059 0.000 0.298 217 F C 2.132 177.787 175.800 -0.241 0.000 1.105 217 F CA 1.516 59.402 58.000 -0.190 0.000 1.239 217 F CB -0.813 38.118 39.000 -0.115 0.000 0.991 217 F HN 0.235 nan 8.300 nan 0.000 0.474 218 I N -0.477 119.867 120.570 -0.377 0.000 2.163 218 I HA -0.335 3.870 4.170 0.059 0.000 0.240 218 I C 2.419 178.310 176.117 -0.377 0.000 1.081 218 I CA 1.071 62.093 61.300 -0.463 0.000 1.353 218 I CB -0.518 37.233 38.000 -0.414 0.000 1.054 218 I HN 0.088 nan 8.210 nan 0.000 0.407 219 M N 0.009 119.352 119.600 -0.428 0.000 2.202 219 M HA -0.246 4.270 4.480 0.059 0.000 0.262 219 M C 2.255 178.368 176.300 -0.311 0.000 1.063 219 M CA 1.674 56.723 55.300 -0.419 0.000 1.097 219 M CB -1.217 30.916 32.600 -0.779 0.000 1.382 219 M HN 0.370 nan 8.290 nan 0.000 0.413 220 Q N -0.163 119.443 119.800 -0.322 0.000 2.049 220 Q HA -0.099 4.276 4.340 0.059 0.000 0.198 220 Q C 2.080 177.975 176.000 -0.174 0.000 0.971 220 Q CA 1.262 56.924 55.803 -0.235 0.000 0.833 220 Q CB 0.233 28.814 28.738 -0.262 0.000 0.896 220 Q HN 0.318 nan 8.270 nan 0.000 0.434 221 V N 0.293 120.078 119.914 -0.215 0.000 2.332 221 V HA -0.253 3.902 4.120 0.059 0.000 0.248 221 V C 2.333 178.328 176.094 -0.166 0.000 1.055 221 V CA 1.499 63.681 62.300 -0.198 0.000 1.038 221 V CB -0.486 31.144 31.823 -0.321 0.000 0.651 221 V HN 0.218 nan 8.190 nan 0.000 0.450 222 V N -1.020 118.785 119.914 -0.181 0.000 2.270 222 V HA -0.272 3.883 4.120 0.059 0.000 0.245 222 V C 2.545 178.569 176.094 -0.117 0.000 1.043 222 V CA 2.233 64.450 62.300 -0.139 0.000 1.014 222 V CB -0.811 30.934 31.823 -0.129 0.000 0.645 222 V HN 0.634 nan 8.190 nan 0.000 0.447 223 C N -0.249 118.977 119.300 -0.123 0.000 2.413 223 C HA -0.189 4.306 4.460 0.059 0.000 0.277 223 C C 2.745 177.685 174.990 -0.083 0.000 1.265 223 C CA 1.364 60.322 59.018 -0.100 0.000 1.752 223 C CB -0.976 26.712 27.740 -0.087 0.000 1.998 223 C HN 0.659 nan 8.230 nan 0.000 0.489 224 E N 0.640 120.790 120.200 -0.083 0.000 2.106 224 E HA -0.121 4.264 4.350 0.059 0.000 0.192 224 E C 2.205 178.766 176.600 -0.064 0.000 0.984 224 E CA 1.108 57.469 56.400 -0.065 0.000 0.806 224 E CB -0.143 29.520 29.700 -0.061 0.000 0.750 224 E HN 0.624 nan 8.360 nan 0.000 0.458 225 A N 0.239 123.013 122.820 -0.076 0.000 2.067 225 A HA -0.121 4.235 4.320 0.059 0.000 0.219 225 A C 2.226 179.771 177.584 -0.065 0.000 1.158 225 A CA 1.645 53.640 52.037 -0.070 0.000 0.661 225 A CB -0.736 18.217 19.000 -0.079 0.000 0.801 225 A HN 0.421 nan 8.150 nan 0.000 0.452 226 T N -3.368 111.144 114.554 -0.071 0.000 3.160 226 T HA 0.011 4.396 4.350 0.059 0.000 0.257 226 T C 1.190 175.854 174.700 -0.060 0.000 1.147 226 T CA 0.827 62.885 62.100 -0.070 0.000 1.064 226 T CB -0.044 68.773 68.868 -0.086 0.000 0.949 226 T HN 0.363 nan 8.240 nan 0.000 0.526 227 Q N 0.036 119.803 119.800 -0.054 0.000 2.282 227 Q HA 0.269 4.644 4.340 0.059 0.000 0.206 227 Q C 0.730 176.707 176.000 -0.039 0.000 0.878 227 Q CA -0.190 55.586 55.803 -0.045 0.000 0.944 227 Q CB -0.099 28.615 28.738 -0.040 0.000 1.100 227 Q HN 0.629 nan 8.270 nan 0.000 0.509 228 C N 3.379 122.654 119.300 -0.041 0.000 2.637 228 C HA 0.157 4.653 4.460 0.059 0.000 0.418 228 C C -0.482 174.488 174.990 -0.033 0.000 1.319 228 C CA -1.369 57.627 59.018 -0.037 0.000 1.949 228 C CB 0.533 28.248 27.740 -0.040 0.000 2.639 228 C HN 0.305 nan 8.230 nan 0.000 0.594 229 P HA -0.117 nan 4.420 nan 0.000 0.217 229 P C 0.274 177.558 177.300 -0.026 0.000 1.150 229 P CA 1.174 64.258 63.100 -0.026 0.000 0.832 229 P CB -0.225 31.461 31.700 -0.023 0.000 0.787 230 D N 0.503 120.886 120.400 -0.028 0.000 2.349 230 D HA -0.006 4.669 4.640 0.059 0.000 0.266 230 D C 0.748 177.030 176.300 -0.030 0.000 1.293 230 D CA 0.338 54.321 54.000 -0.028 0.000 0.926 230 D CB 0.628 41.410 40.800 -0.031 0.000 1.090 230 D HN -0.058 nan 8.370 nan 0.000 0.502 231 T N 4.421 118.959 114.554 -0.027 0.000 2.760 231 T HA -0.224 4.161 4.350 0.059 0.000 0.269 231 T C 1.894 176.578 174.700 -0.027 0.000 1.047 231 T CA 1.205 63.289 62.100 -0.026 0.000 1.139 231 T CB 0.070 68.924 68.868 -0.023 0.000 0.855 231 T HN 0.498 nan 8.240 nan 0.000 0.471 232 R N 0.184 120.668 120.500 -0.027 0.000 2.081 232 R HA -0.035 4.340 4.340 0.059 0.000 0.235 232 R C 2.500 178.779 176.300 -0.034 0.000 1.131 232 R CA 1.102 57.185 56.100 -0.029 0.000 0.960 232 R CB -0.619 29.663 30.300 -0.029 0.000 0.856 232 R HN 0.275 nan 8.270 nan 0.000 0.436 233 V N 0.929 120.820 119.914 -0.038 0.000 2.427 233 V HA -0.188 3.967 4.120 0.059 0.000 0.248 233 V C 2.446 178.512 176.094 -0.045 0.000 1.051 233 V CA 1.395 63.669 62.300 -0.044 0.000 1.048 233 V CB -0.530 31.265 31.823 -0.046 0.000 0.666 233 V HN 0.272 nan 8.190 nan 0.000 0.456 234 R N 0.042 120.517 120.500 -0.042 0.000 2.097 234 R HA -0.171 4.205 4.340 0.059 0.000 0.236 234 R C 2.300 178.575 176.300 -0.042 0.000 1.135 234 R CA 1.943 58.017 56.100 -0.044 0.000 0.934 234 R CB -0.782 29.494 30.300 -0.040 0.000 0.846 234 R HN 0.433 nan 8.270 nan 0.000 0.431 235 V N 0.866 120.760 119.914 -0.033 0.000 2.332 235 V HA -0.268 3.887 4.120 0.059 0.000 0.248 235 V C 2.508 178.586 176.094 -0.027 0.000 1.055 235 V CA 1.994 64.279 62.300 -0.025 0.000 1.038 235 V CB -0.821 30.992 31.823 -0.017 0.000 0.651 235 V HN 0.448 nan 8.190 nan 0.000 0.450 236 A N -0.214 122.585 122.820 -0.034 0.000 1.930 236 A HA -0.029 4.326 4.320 0.059 0.000 0.217 236 A C 2.404 179.961 177.584 -0.045 0.000 1.175 236 A CA 1.864 53.877 52.037 -0.039 0.000 0.627 236 A CB -0.669 18.303 19.000 -0.047 0.000 0.815 236 A HN 0.562 nan 8.150 nan 0.000 0.443 237 A N -0.203 122.587 122.820 -0.051 0.000 1.930 237 A HA 0.011 4.366 4.320 0.059 0.000 0.217 237 A C 2.149 179.700 177.584 -0.055 0.000 1.175 237 A CA 1.355 53.356 52.037 -0.060 0.000 0.627 237 A CB -0.563 18.395 19.000 -0.069 0.000 0.815 237 A HN 0.461 nan 8.150 nan 0.000 0.443 238 L N -0.865 120.329 121.223 -0.049 0.000 2.017 238 L HA -0.278 4.097 4.340 0.059 0.000 0.208 238 L C 2.911 179.777 176.870 -0.005 0.000 1.073 238 L CA 1.747 56.561 54.840 -0.043 0.000 0.745 238 L CB -0.654 41.383 42.059 -0.037 0.000 0.894 238 L HN 0.475 nan 8.230 nan 0.000 0.432 239 Q N -0.105 119.690 119.800 -0.008 0.000 2.135 239 Q HA -0.244 4.132 4.340 0.059 0.000 0.204 239 Q C 1.969 177.962 176.000 -0.011 0.000 0.981 239 Q CA 1.973 57.774 55.803 -0.002 0.000 0.856 239 Q CB -0.210 28.518 28.738 -0.016 0.000 0.902 239 Q HN 0.534 nan 8.270 nan 0.000 0.425 240 N N 0.160 118.845 118.700 -0.025 0.000 2.166 240 N HA -0.134 4.642 4.740 0.059 0.000 0.186 240 N C 1.607 177.115 175.510 -0.003 0.000 1.019 240 N CA 0.903 53.935 53.050 -0.031 0.000 0.856 240 N CB -0.066 38.393 38.487 -0.046 0.000 0.993 240 N HN 0.146 nan 8.380 nan 0.000 0.426 241 L N -0.204 121.032 121.223 0.021 0.000 2.046 241 L HA -0.143 4.232 4.340 0.059 0.000 0.208 241 L C 1.988 178.978 176.870 0.200 0.000 1.077 241 L CA 0.731 55.629 54.840 0.097 0.000 0.747 241 L CB -0.472 41.604 42.059 0.027 0.000 0.896 241 L HN 0.087 nan 8.230 nan 0.000 0.432 242 V N 0.096 120.106 119.914 0.160 0.000 2.261 242 V HA -0.325 3.830 4.120 0.059 0.000 0.246 242 V C 2.547 178.592 176.094 -0.081 0.000 1.047 242 V CA 2.066 64.388 62.300 0.037 0.000 1.015 242 V CB -0.534 31.302 31.823 0.023 0.000 0.642 242 V HN 0.432 nan 8.190 nan 0.000 0.446 243 K N -0.164 120.196 120.400 -0.067 0.000 2.097 243 K HA -0.126 4.229 4.320 0.059 0.000 0.206 243 K C 2.090 178.607 176.600 -0.139 0.000 1.049 243 K CA 1.525 57.744 56.287 -0.114 0.000 0.933 243 K CB -0.227 32.209 32.500 -0.106 0.000 0.717 243 K HN 0.419 nan 8.250 nan 0.000 0.442 244 I N 0.629 121.152 120.570 -0.079 0.000 2.226 244 I HA -0.290 3.915 4.170 0.059 0.000 0.245 244 I C 2.498 178.581 176.117 -0.056 0.000 1.100 244 I CA 0.957 62.224 61.300 -0.055 0.000 1.374 244 I CB -0.147 37.870 38.000 0.027 0.000 1.057 244 I HN 0.289 nan 8.210 nan 0.000 0.413 245 M N 0.540 120.101 119.600 -0.064 0.000 2.149 245 M HA -0.206 4.309 4.480 0.059 0.000 0.261 245 M C 2.357 178.588 176.300 -0.114 0.000 1.064 245 M CA 1.883 57.107 55.300 -0.126 0.000 1.102 245 M CB -0.325 32.021 32.600 -0.424 0.000 1.369 245 M HN 0.082 nan 8.290 nan 0.000 0.408 246 S N 0.222 115.815 115.700 -0.180 0.000 2.335 246 S HA -0.085 4.420 4.470 0.059 0.000 0.216 246 S C 1.831 176.285 174.600 -0.243 0.000 1.032 246 S CA 1.634 59.715 58.200 -0.198 0.000 1.000 246 S CB -0.700 62.373 63.200 -0.213 0.000 0.928 246 S HN 0.537 nan 8.310 nan 0.000 0.434 247 L N -0.480 120.516 121.223 -0.379 0.000 2.042 247 L HA -0.127 4.248 4.340 0.059 0.000 0.210 247 L C 0.768 177.172 176.870 -0.778 0.000 1.076 247 L CA 1.329 55.762 54.840 -0.679 0.000 0.749 247 L CB -0.365 41.061 42.059 -1.055 0.000 0.893 247 L HN 0.390 nan 8.230 nan 0.000 0.432 248 Y N -3.070 117.167 120.300 -0.106 0.000 2.669 248 Y HA 0.110 4.694 4.550 0.057 0.000 0.302 248 Y C 1.160 177.138 175.900 0.130 0.000 1.000 248 Y CA -1.160 56.965 58.100 0.041 0.000 1.222 248 Y CB -0.731 37.718 38.460 -0.019 0.000 1.209 248 Y HN -0.028 nan 8.280 nan 0.000 0.571 249 Y N 1.445 121.762 120.300 0.028 0.000 2.096 249 Y HA -0.378 4.206 4.550 0.057 0.000 0.278 249 Y C 2.122 178.103 175.900 0.135 0.000 1.192 249 Y CA 2.125 60.257 58.100 0.053 0.000 1.143 249 Y CB 0.159 38.596 38.460 -0.037 0.000 0.963 249 Y HN 0.200 nan 8.280 nan 0.000 0.505 250 Q N -0.872 119.062 119.800 0.224 0.000 2.248 250 Q HA -0.230 4.146 4.340 0.059 0.000 0.208 250 Q C 1.681 177.690 176.000 0.016 0.000 0.984 250 Q CA 1.793 57.640 55.803 0.073 0.000 0.875 250 Q CB -0.614 28.092 28.738 -0.052 0.000 0.910 250 Q HN 0.724 nan 8.270 nan 0.000 0.433 251 Y N -1.359 119.084 120.300 0.238 0.000 2.466 251 Y HA 0.108 4.693 4.550 0.057 0.000 0.272 251 Y C 1.807 177.881 175.900 0.289 0.000 1.169 251 Y CA 0.068 58.330 58.100 0.271 0.000 1.285 251 Y CB 0.136 38.816 38.460 0.367 0.000 1.078 251 Y HN 0.010 nan 8.280 nan 0.000 0.523 252 M N -0.195 119.592 119.600 0.313 0.000 2.557 252 M HA -0.120 4.395 4.480 0.059 0.000 0.259 252 M C 1.792 178.192 176.300 0.166 0.000 1.086 252 M CA 0.932 56.373 55.300 0.235 0.000 1.096 252 M CB -0.752 31.833 32.600 -0.026 0.000 1.424 252 M HN 0.376 nan 8.290 nan 0.000 0.488 253 E N -0.124 120.189 120.200 0.187 0.000 2.265 253 E HA -0.140 4.246 4.350 0.059 0.000 0.196 253 E C 1.378 178.007 176.600 0.049 0.000 0.996 253 E CA 1.195 57.707 56.400 0.187 0.000 0.832 253 E CB 0.263 30.067 29.700 0.173 0.000 0.756 253 E HN 0.422 nan 8.360 nan 0.000 0.491 254 T N -0.569 113.946 114.554 -0.065 0.000 2.904 254 T HA -0.120 4.265 4.350 0.059 0.000 0.267 254 T C 0.755 175.140 174.700 -0.525 0.000 1.059 254 T CA 1.087 62.954 62.100 -0.388 0.000 1.137 254 T CB -0.091 68.313 68.868 -0.773 0.000 0.879 254 T HN 0.322 nan 8.240 nan 0.000 0.467 255 Y N -0.849 119.489 120.300 0.063 0.000 2.442 255 Y HA 0.447 5.030 4.550 0.056 0.000 0.250 255 Y C 1.910 177.817 175.900 0.013 0.000 1.113 255 Y CA -0.581 57.544 58.100 0.041 0.000 1.273 255 Y CB -0.257 38.227 38.460 0.040 0.000 1.138 255 Y HN 0.055 nan 8.280 nan 0.000 0.522 256 M N 0.973 120.628 119.600 0.090 0.000 2.091 256 M HA 0.017 4.532 4.480 0.059 0.000 0.259 256 M C 2.418 178.774 176.300 0.094 0.000 1.076 256 M CA 2.432 57.747 55.300 0.025 0.000 1.111 256 M CB -1.035 31.461 32.600 -0.173 0.000 1.291 256 M HN 0.242 nan 8.290 nan 0.000 0.417 257 G N 0.434 109.276 108.800 0.070 0.000 2.491 257 G HA2 -0.194 3.802 3.960 0.059 0.000 0.218 257 G HA3 -0.194 3.802 3.960 0.059 0.000 0.218 257 G C -0.734 174.195 174.900 0.049 0.000 1.180 257 G CA 0.948 46.071 45.100 0.038 0.000 0.774 257 G HN 0.563 nan 8.290 nan 0.000 0.562 258 P HA 0.198 nan 4.420 nan 0.000 0.233 258 P C 0.736 178.081 177.300 0.075 0.000 1.167 258 P CA 1.897 65.028 63.100 0.052 0.000 0.770 258 P CB 0.437 32.157 31.700 0.034 0.000 0.837 259 A N -1.448 121.429 122.820 0.095 0.000 1.602 259 A HA 0.138 4.493 4.320 0.059 0.000 0.198 259 A C 1.771 179.374 177.584 0.032 0.000 1.957 259 A CA -0.077 52.001 52.037 0.069 0.000 1.550 259 A CB -0.861 18.179 19.000 0.065 0.000 1.537 259 A HN 0.004 nan 8.150 nan 0.000 0.312 260 L N -0.588 120.652 121.223 0.028 0.000 2.083 260 L HA -0.127 4.249 4.340 0.059 0.000 0.209 260 L C 2.394 179.202 176.870 -0.103 0.000 1.083 260 L CA 2.060 56.834 54.840 -0.109 0.000 0.752 260 L CB -0.595 41.406 42.059 -0.096 0.000 0.899 260 L HN 0.533 nan 8.230 nan 0.000 0.433 261 F N 1.030 120.962 119.950 -0.030 0.000 2.069 261 F HA -0.263 4.293 4.527 0.048 0.000 0.298 261 F C 2.486 178.297 175.800 0.019 0.000 1.113 261 F CA 1.440 59.498 58.000 0.095 0.000 1.214 261 F CB -0.347 38.704 39.000 0.086 0.000 0.978 261 F HN -0.004 nan 8.300 nan 0.000 0.474 262 A N 0.925 123.758 122.820 0.023 0.000 1.865 262 A HA -0.169 4.186 4.320 0.059 0.000 0.217 262 A C 2.333 179.825 177.584 -0.154 0.000 1.191 262 A CA 2.092 54.081 52.037 -0.080 0.000 0.623 262 A CB -1.323 17.691 19.000 0.024 0.000 0.826 262 A HN 0.499 nan 8.150 nan 0.000 0.444 263 I N 0.250 120.740 120.570 -0.133 0.000 2.091 263 I HA -0.319 3.886 4.170 0.059 0.000 0.239 263 I C 2.950 178.943 176.117 -0.206 0.000 1.061 263 I CA 2.214 63.418 61.300 -0.161 0.000 1.317 263 I CB -0.924 36.970 38.000 -0.176 0.000 1.031 263 I HN 0.590 nan 8.210 nan 0.000 0.401 264 T N -0.369 114.007 114.554 -0.296 0.000 2.746 264 T HA -0.136 4.249 4.350 0.059 0.000 0.267 264 T C 1.956 176.600 174.700 -0.094 0.000 1.039 264 T CA 0.893 62.838 62.100 -0.259 0.000 1.142 264 T CB -0.458 68.092 68.868 -0.531 0.000 0.866 264 T HN 0.095 nan 8.240 nan 0.000 0.444 265 I N 2.058 122.510 120.570 -0.197 0.000 2.226 265 I HA -0.100 4.105 4.170 0.059 0.000 0.245 265 I C 2.696 178.711 176.117 -0.171 0.000 1.100 265 I CA 1.731 62.870 61.300 -0.269 0.000 1.374 265 I CB -1.138 36.519 38.000 -0.573 0.000 1.057 265 I HN 0.403 nan 8.210 nan 0.000 0.413 266 E N 1.194 121.300 120.200 -0.157 0.000 2.110 266 E HA -0.166 4.219 4.350 0.059 0.000 0.193 266 E C 2.181 178.733 176.600 -0.080 0.000 0.988 266 E CA 1.555 57.893 56.400 -0.103 0.000 0.804 266 E CB -0.058 29.588 29.700 -0.090 0.000 0.745 266 E HN 0.401 nan 8.360 nan 0.000 0.458 267 A N 0.436 123.206 122.820 -0.082 0.000 1.898 267 A HA -0.157 4.198 4.320 0.059 0.000 0.216 267 A C 2.276 179.833 177.584 -0.044 0.000 1.181 267 A CA 1.683 53.684 52.037 -0.060 0.000 0.620 267 A CB -0.568 18.395 19.000 -0.062 0.000 0.819 267 A HN 0.368 nan 8.150 nan 0.000 0.442 268 M N -0.628 118.951 119.600 -0.035 0.000 2.195 268 M HA -0.186 4.329 4.480 0.059 0.000 0.260 268 M C 1.631 177.900 176.300 -0.052 0.000 1.066 268 M CA 1.592 56.873 55.300 -0.031 0.000 1.089 268 M CB -0.254 32.329 32.600 -0.028 0.000 1.377 268 M HN 0.322 nan 8.290 nan 0.000 0.411 269 K N -0.640 119.726 120.400 -0.056 0.000 2.459 269 K HA 0.076 4.431 4.320 0.059 0.000 0.193 269 K C 0.795 177.368 176.600 -0.046 0.000 1.030 269 K CA -0.138 56.118 56.287 -0.051 0.000 1.026 269 K CB 0.087 32.558 32.500 -0.048 0.000 0.809 269 K HN 0.124 nan 8.250 nan 0.000 0.504 270 S N 2.080 117.753 115.700 -0.045 0.000 2.568 270 S HA -0.054 4.451 4.470 0.059 0.000 0.282 270 S C 0.882 175.457 174.600 -0.042 0.000 1.338 270 S CA -0.419 57.757 58.200 -0.041 0.000 1.045 270 S CB 0.540 63.717 63.200 -0.039 0.000 0.873 270 S HN 0.354 nan 8.310 nan 0.000 0.516 271 D N 2.915 123.293 120.400 -0.036 0.000 2.350 271 D HA 0.013 4.688 4.640 0.059 0.000 0.213 271 D C 0.309 176.588 176.300 -0.035 0.000 1.031 271 D CA 0.149 54.127 54.000 -0.036 0.000 0.861 271 D CB -0.100 40.682 40.800 -0.029 0.000 0.926 271 D HN 0.500 nan 8.370 nan 0.000 0.520 272 I N 2.264 122.814 120.570 -0.033 0.000 2.322 272 I HA -0.002 4.204 4.170 0.059 0.000 0.292 272 I C 0.836 176.933 176.117 -0.034 0.000 1.060 272 I CA -0.575 60.707 61.300 -0.030 0.000 1.309 272 I CB 1.106 39.091 38.000 -0.026 0.000 1.415 272 I HN -0.348 nan 8.210 nan 0.000 0.492 273 D N 3.883 124.261 120.400 -0.037 0.000 2.126 273 D HA -0.243 4.432 4.640 0.059 0.000 0.190 273 D C 1.840 178.120 176.300 -0.033 0.000 1.001 273 D CA 1.604 55.577 54.000 -0.046 0.000 0.841 273 D CB 0.157 40.931 40.800 -0.045 0.000 0.949 273 D HN 0.561 nan 8.370 nan 0.000 0.446 274 E N 0.091 120.281 120.200 -0.017 0.000 2.070 274 E HA -0.154 4.231 4.350 0.059 0.000 0.197 274 E C 2.072 178.670 176.600 -0.003 0.000 1.004 274 E CA 0.823 57.222 56.400 -0.001 0.000 0.805 274 E CB -0.198 29.500 29.700 -0.002 0.000 0.744 274 E HN 0.124 nan 8.360 nan 0.000 0.451 275 V N 0.331 120.235 119.914 -0.016 0.000 2.323 275 V HA -0.196 3.959 4.120 0.059 0.000 0.244 275 V C 2.316 178.399 176.094 -0.018 0.000 1.041 275 V CA 1.666 63.954 62.300 -0.019 0.000 1.025 275 V CB -0.959 30.847 31.823 -0.028 0.000 0.656 275 V HN 0.424 nan 8.190 nan 0.000 0.451 276 A N -0.178 122.624 122.820 -0.030 0.000 1.940 276 A HA -0.197 4.158 4.320 0.059 0.000 0.219 276 A C 2.239 179.809 177.584 -0.024 0.000 1.176 276 A CA 1.887 53.902 52.037 -0.036 0.000 0.631 276 A CB -0.606 18.357 19.000 -0.061 0.000 0.814 276 A HN 0.503 nan 8.150 nan 0.000 0.446 277 L N -1.426 119.783 121.223 -0.024 0.000 2.083 277 L HA -0.213 4.162 4.340 0.059 0.000 0.209 277 L C 2.864 179.780 176.870 0.077 0.000 1.083 277 L CA 1.443 56.287 54.840 0.006 0.000 0.752 277 L CB -0.341 41.736 42.059 0.030 0.000 0.899 277 L HN 0.367 nan 8.230 nan 0.000 0.433 278 Q N -0.057 119.779 119.800 0.060 0.000 2.079 278 Q HA -0.091 4.284 4.340 0.059 0.000 0.200 278 Q C 2.144 178.201 176.000 0.096 0.000 0.974 278 Q CA 1.679 57.525 55.803 0.073 0.000 0.840 278 Q CB -0.635 28.123 28.738 0.035 0.000 0.898 278 Q HN 0.430 nan 8.270 nan 0.000 0.430 279 G N 0.118 108.960 108.800 0.070 0.000 2.418 279 G HA2 -0.195 3.801 3.960 0.059 0.000 0.217 279 G HA3 -0.195 3.801 3.960 0.059 0.000 0.217 279 G C 1.416 176.456 174.900 0.233 0.000 1.158 279 G CA 0.778 45.943 45.100 0.108 0.000 0.771 279 G HN 0.389 nan 8.290 nan 0.000 0.545 280 I N 0.322 120.989 120.570 0.163 0.000 2.315 280 I HA -0.089 4.117 4.170 0.059 0.000 0.248 280 I C 2.639 178.891 176.117 0.225 0.000 1.117 280 I CA 1.125 62.536 61.300 0.184 0.000 1.404 280 I CB -0.111 37.928 38.000 0.066 0.000 1.071 280 I HN 0.130 nan 8.210 nan 0.000 0.419 281 E N 1.287 121.603 120.200 0.194 0.000 2.106 281 E HA -0.245 4.141 4.350 0.059 0.000 0.192 281 E C 1.967 178.637 176.600 0.116 0.000 0.984 281 E CA 1.345 57.846 56.400 0.167 0.000 0.806 281 E CB -0.429 29.360 29.700 0.149 0.000 0.750 281 E HN 0.402 nan 8.360 nan 0.000 0.458 282 F N -0.776 119.155 119.950 -0.032 0.000 2.065 282 F HA -0.210 4.351 4.527 0.057 0.000 0.298 282 F C 1.696 177.335 175.800 -0.269 0.000 1.112 282 F CA 2.094 59.975 58.000 -0.199 0.000 1.212 282 F CB -0.495 38.319 39.000 -0.309 0.000 0.975 282 F HN 0.099 nan 8.300 nan 0.000 0.476 283 W N 0.039 121.460 121.300 0.202 0.000 2.436 283 W HA -0.074 4.646 4.660 0.099 0.000 0.284 283 W C 2.713 179.251 176.519 0.032 0.000 1.225 283 W CA 1.200 58.611 57.345 0.111 0.000 1.271 283 W CB -0.822 28.738 29.460 0.166 0.000 1.114 283 W HN -0.133 nan 8.180 nan 0.000 0.559 284 S N 0.115 115.940 115.700 0.208 0.000 2.382 284 S HA -0.224 4.281 4.470 0.059 0.000 0.228 284 S C 1.544 176.162 174.600 0.030 0.000 1.027 284 S CA 1.629 59.908 58.200 0.132 0.000 0.991 284 S CB -0.518 62.761 63.200 0.133 0.000 0.823 284 S HN 0.323 nan 8.310 nan 0.000 0.469 285 N N 1.285 119.947 118.700 -0.064 0.000 2.142 285 N HA -0.052 4.723 4.740 0.059 0.000 0.186 285 N C 1.502 176.903 175.510 -0.182 0.000 1.023 285 N CA 1.018 53.973 53.050 -0.157 0.000 0.852 285 N CB -0.347 37.989 38.487 -0.253 0.000 0.998 285 N HN 0.155 nan 8.380 nan 0.000 0.424 286 V N -0.020 119.753 119.914 -0.236 0.000 2.332 286 V HA -0.318 3.837 4.120 0.059 0.000 0.248 286 V C 2.493 178.604 176.094 0.028 0.000 1.055 286 V CA 1.531 63.761 62.300 -0.116 0.000 1.038 286 V CB -0.784 30.979 31.823 -0.100 0.000 0.651 286 V HN 0.496 nan 8.190 nan 0.000 0.450 287 C N -0.104 119.247 119.300 0.084 0.000 2.413 287 C HA -0.188 4.307 4.460 0.059 0.000 0.276 287 C C 2.568 177.556 174.990 -0.004 0.000 1.248 287 C CA 1.137 60.203 59.018 0.081 0.000 1.742 287 C CB -1.086 26.719 27.740 0.108 0.000 2.017 287 C HN 0.605 nan 8.230 nan 0.000 0.481 288 D N 0.259 120.635 120.400 -0.040 0.000 2.097 288 D HA -0.092 4.583 4.640 0.059 0.000 0.195 288 D C 2.270 178.485 176.300 -0.142 0.000 0.989 288 D CA 1.068 55.018 54.000 -0.082 0.000 0.827 288 D CB -0.454 40.291 40.800 -0.092 0.000 0.966 288 D HN 0.464 nan 8.370 nan 0.000 0.456 289 E N 0.911 121.001 120.200 -0.183 0.000 2.058 289 E HA -0.158 4.227 4.350 0.059 0.000 0.194 289 E C 2.018 178.404 176.600 -0.356 0.000 0.997 289 E CA 0.787 57.007 56.400 -0.301 0.000 0.801 289 E CB -0.181 29.308 29.700 -0.352 0.000 0.746 289 E HN 0.525 nan 8.360 nan 0.000 0.450 290 E N -0.058 119.985 120.200 -0.262 0.000 2.150 290 E HA -0.077 4.309 4.350 0.059 0.000 0.193 290 E C 2.140 178.628 176.600 -0.186 0.000 0.985 290 E CA 0.589 56.830 56.400 -0.264 0.000 0.814 290 E CB -0.103 29.512 29.700 -0.142 0.000 0.752 290 E HN 0.251 nan 8.360 nan 0.000 0.466 291 M N 0.767 120.295 119.600 -0.119 0.000 2.200 291 M HA -0.137 4.379 4.480 0.059 0.000 0.265 291 M C 1.572 177.810 176.300 -0.103 0.000 1.066 291 M CA 1.047 56.300 55.300 -0.077 0.000 1.127 291 M CB -0.002 32.570 32.600 -0.046 0.000 1.379 291 M HN -0.009 nan 8.290 nan 0.000 0.420 292 D N 0.668 120.980 120.400 -0.147 0.000 2.097 292 D HA -0.101 4.574 4.640 0.059 0.000 0.197 292 D C 2.065 178.271 176.300 -0.157 0.000 0.984 292 D CA 1.283 55.190 54.000 -0.154 0.000 0.826 292 D CB -0.256 40.423 40.800 -0.201 0.000 0.973 292 D HN 0.323 nan 8.370 nan 0.000 0.460 293 L N 0.868 121.960 121.223 -0.218 0.000 2.079 293 L HA -0.167 4.208 4.340 0.059 0.000 0.210 293 L C 2.543 179.336 176.870 -0.128 0.000 1.081 293 L CA 1.065 55.782 54.840 -0.206 0.000 0.752 293 L CB -0.370 41.491 42.059 -0.330 0.000 0.896 293 L HN -0.034 nan 8.230 nan 0.000 0.433 294 A N -0.001 122.752 122.820 -0.112 0.000 1.969 294 A HA -0.130 4.225 4.320 0.059 0.000 0.218 294 A C 2.212 179.786 177.584 -0.016 0.000 1.169 294 A CA 1.306 53.323 52.037 -0.034 0.000 0.635 294 A CB -0.531 18.469 19.000 -0.000 0.000 0.810 294 A HN 0.384 nan 8.150 nan 0.000 0.445 295 I N -1.001 119.547 120.570 -0.037 0.000 2.286 295 I HA -0.187 4.018 4.170 0.059 0.000 0.245 295 I C 2.507 178.614 176.117 -0.017 0.000 1.104 295 I CA 1.494 62.780 61.300 -0.023 0.000 1.397 295 I CB -0.320 37.658 38.000 -0.035 0.000 1.072 295 I HN 0.500 nan 8.210 nan 0.000 0.417 296 E N 1.493 121.675 120.200 -0.029 0.000 2.085 296 E HA -0.251 4.134 4.350 0.059 0.000 0.194 296 E C 2.261 178.864 176.600 0.006 0.000 0.994 296 E CA 1.452 57.847 56.400 -0.008 0.000 0.801 296 E CB 0.011 29.707 29.700 -0.007 0.000 0.743 296 E HN 0.471 nan 8.360 nan 0.000 0.453 297 A N 0.450 123.273 122.820 0.005 0.000 1.877 297 A HA -0.186 4.169 4.320 0.059 0.000 0.216 297 A C 2.347 179.947 177.584 0.026 0.000 1.186 297 A CA 1.858 53.909 52.037 0.024 0.000 0.620 297 A CB -0.959 18.067 19.000 0.044 0.000 0.822 297 A HN 0.348 nan 8.150 nan 0.000 0.443 298 S N -0.544 115.170 115.700 0.023 0.000 2.370 298 S HA -0.227 4.278 4.470 0.059 0.000 0.226 298 S C 1.926 176.537 174.600 0.018 0.000 1.033 298 S CA 1.874 60.087 58.200 0.022 0.000 1.011 298 S CB -0.380 62.832 63.200 0.019 0.000 0.852 298 S HN 0.646 nan 8.310 nan 0.000 0.457 299 E N 0.550 120.759 120.200 0.015 0.000 2.047 299 E HA -0.058 4.327 4.350 0.059 0.000 0.191 299 E C 2.472 179.082 176.600 0.016 0.000 0.987 299 E CA 0.989 57.398 56.400 0.015 0.000 0.799 299 E CB -0.359 29.350 29.700 0.015 0.000 0.752 299 E HN 0.626 nan 8.360 nan 0.000 0.449 300 A N 1.562 124.392 122.820 0.016 0.000 1.940 300 A HA -0.197 4.159 4.320 0.059 0.000 0.219 300 A C 2.402 179.994 177.584 0.014 0.000 1.176 300 A CA 1.816 53.861 52.037 0.014 0.000 0.631 300 A CB -0.745 18.263 19.000 0.013 0.000 0.814 300 A HN 0.310 nan 8.150 nan 0.000 0.446 301 A N 0.043 122.873 122.820 0.017 0.000 1.917 301 A HA -0.240 4.115 4.320 0.059 0.000 0.219 301 A C 1.886 179.479 177.584 0.014 0.000 1.182 301 A CA 1.818 53.865 52.037 0.017 0.000 0.633 301 A CB -0.610 18.402 19.000 0.020 0.000 0.819 301 A HN 0.680 nan 8.150 nan 0.000 0.448 302 E N -0.527 119.682 120.200 0.015 0.000 2.274 302 E HA -0.138 4.247 4.350 0.059 0.000 0.194 302 E C 1.611 178.220 176.600 0.014 0.000 0.996 302 E CA 0.857 57.265 56.400 0.014 0.000 0.840 302 E CB -0.110 29.599 29.700 0.015 0.000 0.772 302 E HN 0.719 nan 8.360 nan 0.000 0.491 303 Q N -0.038 119.770 119.800 0.013 0.000 2.322 303 Q HA 0.092 4.467 4.340 0.059 0.000 0.203 303 Q C 0.450 176.456 176.000 0.009 0.000 0.923 303 Q CA 0.189 55.999 55.803 0.012 0.000 0.949 303 Q CB 0.725 29.470 28.738 0.012 0.000 1.039 303 Q HN 0.329 nan 8.270 nan 0.000 0.496 304 G N 2.697 111.503 108.800 0.009 0.000 2.338 304 G HA2 -0.324 3.671 3.960 0.059 0.000 0.296 304 G HA3 -0.324 3.671 3.960 0.059 0.000 0.296 304 G C -0.118 174.786 174.900 0.006 0.000 1.040 304 G CA 0.968 46.072 45.100 0.008 0.000 1.004 304 G HN 0.454 nan 8.290 nan 0.000 0.509 305 R N -2.043 118.460 120.500 0.006 0.000 2.752 305 R HA 0.739 5.114 4.340 0.059 0.000 0.271 305 R C -3.396 172.906 176.300 0.004 0.000 1.026 305 R CA -2.117 53.984 56.100 0.003 0.000 0.901 305 R CB 0.613 30.913 30.300 -0.001 0.000 1.243 305 R HN 0.028 nan 8.270 nan 0.000 0.463 306 P HA 0.261 nan 4.420 nan 0.000 0.278 306 P C -2.372 174.924 177.300 -0.008 0.000 1.238 306 P CA -1.198 61.902 63.100 -0.000 0.000 0.794 306 P CB 0.336 32.034 31.700 -0.004 0.000 0.955 307 P HA 0.115 nan 4.420 nan 0.000 0.274 307 P C 0.275 177.542 177.300 -0.054 0.000 1.231 307 P CA -0.027 63.070 63.100 -0.006 0.000 0.790 307 P CB 1.157 32.867 31.700 0.016 0.000 0.951 308 E N 0.198 120.343 120.200 -0.092 0.000 2.204 308 E HA -0.145 4.240 4.350 0.059 0.000 0.195 308 E C -0.102 176.135 176.600 -0.605 0.000 0.990 308 E CA 1.203 57.414 56.400 -0.315 0.000 0.821 308 E CB -0.200 29.311 29.700 -0.316 0.000 0.750 308 E HN 0.633 nan 8.360 nan 0.000 0.477 309 H N -1.432 117.627 119.070 -0.019 0.000 2.895 309 H HA 0.329 4.921 4.556 0.059 0.000 0.373 309 H C -0.616 174.693 175.328 -0.031 0.000 1.174 309 H CA -0.829 55.206 56.048 -0.023 0.000 1.144 309 H CB 1.913 31.649 29.762 -0.043 0.000 1.793 309 H HN -0.097 nan 8.280 nan 0.000 0.551 310 T N -1.498 113.119 114.554 0.105 0.000 2.876 310 T HA 0.520 4.906 4.350 0.059 0.000 0.289 310 T C 0.043 174.753 174.700 0.016 0.000 1.014 310 T CA -1.016 61.110 62.100 0.043 0.000 0.986 310 T CB 1.802 70.706 68.868 0.061 0.000 1.021 310 T HN 0.555 nan 8.240 nan 0.000 0.458 311 S N 0.921 116.526 115.700 -0.159 0.000 2.600 311 S HA 0.329 4.834 4.470 0.059 0.000 0.265 311 S C 0.667 175.088 174.600 -0.298 0.000 1.325 311 S CA -0.598 57.394 58.200 -0.348 0.000 1.002 311 S CB 0.257 62.918 63.200 -0.898 0.000 0.921 311 S HN 0.701 nan 8.310 nan 0.000 0.554 312 K N 2.011 122.223 120.400 -0.314 0.000 2.413 312 K HA 0.174 4.530 4.320 0.059 0.000 0.204 312 K C -0.424 176.031 176.600 -0.243 0.000 1.041 312 K CA -0.087 55.996 56.287 -0.339 0.000 1.082 312 K CB -0.322 31.683 32.500 -0.826 0.000 0.871 312 K HN 0.736 nan 8.250 nan 0.000 0.535 313 F N 0.517 120.377 119.950 -0.151 0.000 3.004 313 F HA -0.283 4.277 4.527 0.055 0.000 0.264 313 F C 0.596 176.435 175.800 0.064 0.000 0.979 313 F CA 0.119 58.110 58.000 -0.014 0.000 0.896 313 F CB -2.737 36.265 39.000 0.004 0.000 0.813 313 F HN 0.109 nan 8.300 nan 0.000 0.804 314 Y N -0.498 119.995 120.300 0.322 0.000 2.224 314 Y HA -0.148 4.436 4.550 0.056 0.000 0.289 314 Y C 2.313 178.509 175.900 0.492 0.000 1.146 314 Y CA 1.278 59.615 58.100 0.395 0.000 1.182 314 Y CB -0.878 37.820 38.460 0.397 0.000 0.983 314 Y HN 0.394 nan 8.280 nan 0.000 0.524 315 A N 0.347 123.533 122.820 0.609 0.000 1.877 315 A HA -0.254 4.101 4.320 0.059 0.000 0.216 315 A C 2.292 180.044 177.584 0.281 0.000 1.186 315 A CA 1.987 54.303 52.037 0.464 0.000 0.620 315 A CB -0.741 18.481 19.000 0.369 0.000 0.822 315 A HN 0.425 nan 8.150 nan 0.000 0.443 316 K N -0.685 119.885 120.400 0.283 0.000 2.103 316 K HA -0.145 4.210 4.320 0.059 0.000 0.207 316 K C 1.852 178.558 176.600 0.176 0.000 1.048 316 K CA 1.554 57.969 56.287 0.213 0.000 0.930 316 K CB -0.483 32.157 32.500 0.234 0.000 0.716 316 K HN 0.413 nan 8.250 nan 0.000 0.444 317 G N -0.562 108.371 108.800 0.221 0.000 2.572 317 G HA2 -0.057 3.938 3.960 0.059 0.000 0.216 317 G HA3 -0.057 3.938 3.960 0.059 0.000 0.216 317 G C 1.271 176.284 174.900 0.189 0.000 1.133 317 G CA 0.551 45.761 45.100 0.184 0.000 0.791 317 G HN 0.394 nan 8.290 nan 0.000 0.538 318 A N -0.085 122.846 122.820 0.185 0.000 2.220 318 A HA 0.405 4.760 4.320 0.059 0.000 0.211 318 A C 2.029 179.652 177.584 0.065 0.000 1.176 318 A CA 0.194 52.330 52.037 0.165 0.000 0.834 318 A CB -0.091 18.777 19.000 -0.221 0.000 0.868 318 A HN 0.247 nan 8.150 nan 0.000 0.488 319 L N 0.455 121.665 121.223 -0.021 0.000 2.034 319 L HA -0.327 4.048 4.340 0.059 0.000 0.217 319 L C 2.498 179.142 176.870 -0.375 0.000 1.077 319 L CA 2.505 57.248 54.840 -0.161 0.000 0.769 319 L CB -0.729 41.261 42.059 -0.116 0.000 0.890 319 L HN 0.548 nan 8.230 nan 0.000 0.435 320 Q N -2.138 117.379 119.800 -0.471 0.000 2.112 320 Q HA -0.248 4.127 4.340 0.059 0.000 0.206 320 Q C 1.980 177.661 176.000 -0.531 0.000 0.987 320 Q CA 2.330 57.722 55.803 -0.684 0.000 0.858 320 Q CB -0.321 27.964 28.738 -0.755 0.000 0.905 320 Q HN 0.631 nan 8.270 nan 0.000 0.420 321 Y N -0.544 119.684 120.300 -0.120 0.000 2.490 321 Y HA 0.040 4.575 4.550 -0.025 0.000 0.285 321 Y C 1.819 177.620 175.900 -0.165 0.000 1.117 321 Y CA 0.254 58.308 58.100 -0.076 0.000 1.262 321 Y CB -0.016 38.483 38.460 0.066 0.000 1.043 321 Y HN -0.003 nan 8.280 nan 0.000 0.553 322 L N -1.092 120.073 121.223 -0.097 0.000 2.095 322 L HA -0.123 4.252 4.340 0.059 0.000 0.204 322 L C 2.228 179.009 176.870 -0.149 0.000 1.080 322 L CA 0.569 55.292 54.840 -0.195 0.000 0.759 322 L CB -0.698 41.184 42.059 -0.294 0.000 0.914 322 L HN 0.039 nan 8.230 nan 0.000 0.439 323 V N 0.302 120.126 119.914 -0.150 0.000 2.255 323 V HA -0.184 3.971 4.120 0.059 0.000 0.247 323 V C -0.206 175.809 176.094 -0.131 0.000 1.051 323 V CA 2.040 64.262 62.300 -0.129 0.000 1.018 323 V CB -2.014 29.752 31.823 -0.095 0.000 0.641 323 V HN 0.330 nan 8.190 nan 0.000 0.445 324 P HA -0.147 nan 4.420 nan 0.000 0.216 324 P C 1.874 179.124 177.300 -0.083 0.000 1.150 324 P CA 1.676 64.743 63.100 -0.054 0.000 0.837 324 P CB -0.073 31.624 31.700 -0.005 0.000 0.786 325 I N -1.211 119.308 120.570 -0.085 0.000 2.252 325 I HA -0.203 4.002 4.170 0.059 0.000 0.245 325 I C 2.536 178.574 176.117 -0.131 0.000 1.102 325 I CA 1.225 62.470 61.300 -0.091 0.000 1.385 325 I CB -0.628 37.318 38.000 -0.090 0.000 1.064 325 I HN -0.130 nan 8.210 nan 0.000 0.414 326 L N 0.295 121.427 121.223 -0.152 0.000 2.027 326 L HA -0.179 4.197 4.340 0.059 0.000 0.206 326 L C 2.853 179.569 176.870 -0.256 0.000 1.074 326 L CA 1.972 56.710 54.840 -0.171 0.000 0.745 326 L CB -1.107 40.870 42.059 -0.138 0.000 0.898 326 L HN 0.399 nan 8.230 nan 0.000 0.433 327 T N -3.127 111.196 114.554 -0.385 0.000 2.833 327 T HA -0.258 4.128 4.350 0.059 0.000 0.269 327 T C 1.758 176.091 174.700 -0.610 0.000 1.054 327 T CA 1.262 62.918 62.100 -0.740 0.000 1.135 327 T CB -0.277 67.683 68.868 -1.512 0.000 0.869 327 T HN 0.140 nan 8.240 nan 0.000 0.466 328 Q N 1.561 121.163 119.800 -0.330 0.000 2.119 328 Q HA -0.032 4.343 4.340 0.059 0.000 0.201 328 Q C 2.205 178.084 176.000 -0.202 0.000 0.972 328 Q CA 1.895 57.603 55.803 -0.157 0.000 0.847 328 Q CB -1.095 27.617 28.738 -0.045 0.000 0.903 328 Q HN 0.576 nan 8.270 nan 0.000 0.433 329 T N 0.816 115.253 114.554 -0.195 0.000 2.915 329 T HA -0.028 4.357 4.350 0.059 0.000 0.269 329 T C 1.522 176.099 174.700 -0.204 0.000 1.071 329 T CA 0.924 62.915 62.100 -0.181 0.000 1.132 329 T CB -0.137 68.634 68.868 -0.162 0.000 0.878 329 T HN 0.246 nan 8.240 nan 0.000 0.479 330 L N 0.860 121.948 121.223 -0.225 0.000 2.353 330 L HA -0.066 4.309 4.340 0.059 0.000 0.220 330 L C 2.551 179.292 176.870 -0.216 0.000 1.133 330 L CA 0.879 55.602 54.840 -0.196 0.000 0.798 330 L CB -0.794 41.159 42.059 -0.177 0.000 0.922 330 L HN 0.233 nan 8.230 nan 0.000 0.445 331 T N -0.810 113.563 114.554 -0.301 0.000 3.118 331 T HA -0.024 4.361 4.350 0.059 0.000 0.260 331 T C 1.216 175.713 174.700 -0.338 0.000 1.139 331 T CA 0.647 62.476 62.100 -0.451 0.000 1.085 331 T CB -0.033 68.396 68.868 -0.732 0.000 0.934 331 T HN 0.114 nan 8.240 nan 0.000 0.518 332 K N 2.150 122.412 120.400 -0.230 0.000 2.684 332 K HA 0.247 4.602 4.320 0.059 0.000 0.215 332 K C 0.331 176.861 176.600 -0.117 0.000 1.073 332 K CA -0.076 56.110 56.287 -0.168 0.000 1.197 332 K CB 0.082 32.497 32.500 -0.141 0.000 0.955 332 K HN 0.447 nan 8.250 nan 0.000 0.473 333 Q N 0.631 120.373 119.800 -0.097 0.000 2.614 333 Q HA 0.009 4.384 4.340 0.059 0.000 0.244 333 Q C -0.280 175.756 176.000 0.061 0.000 1.097 333 Q CA 0.432 56.239 55.803 0.006 0.000 0.986 333 Q CB 0.346 29.165 28.738 0.134 0.000 1.308 333 Q HN 0.021 nan 8.270 nan 0.000 0.546 334 D N -0.311 120.137 120.400 0.080 0.000 2.472 334 D HA 0.070 4.745 4.640 0.059 0.000 0.234 334 D C 0.321 176.696 176.300 0.124 0.000 1.088 334 D CA -0.106 53.944 54.000 0.083 0.000 0.882 334 D CB 0.455 41.274 40.800 0.031 0.000 1.037 334 D HN 0.615 nan 8.370 nan 0.000 0.520 335 E N 3.048 123.378 120.200 0.217 0.000 2.095 335 E HA -0.348 4.037 4.350 0.059 0.000 0.212 335 E C 0.468 177.075 176.600 0.012 0.000 1.044 335 E CA 1.067 57.539 56.400 0.120 0.000 0.857 335 E CB -0.002 29.774 29.700 0.127 0.000 0.764 335 E HN 0.437 nan 8.360 nan 0.000 0.462 336 N N 1.349 120.065 118.700 0.026 0.000 2.605 336 N HA -0.038 4.737 4.740 0.059 0.000 0.282 336 N C -1.465 174.050 175.510 0.009 0.000 1.206 336 N CA 0.138 53.191 53.050 0.006 0.000 1.074 336 N CB 0.147 38.642 38.487 0.013 0.000 1.434 336 N HN 0.131 nan 8.380 nan 0.000 0.506 337 D N 0.965 121.365 120.400 0.000 0.000 2.390 337 D HA 0.016 4.691 4.640 0.059 0.000 0.249 337 D C -1.012 175.290 176.300 0.003 0.000 1.144 337 D CA -0.098 53.904 54.000 0.003 0.000 0.880 337 D CB 0.606 41.404 40.800 -0.003 0.000 1.182 337 D HN 0.319 nan 8.370 nan 0.000 0.451 338 D N 2.748 123.153 120.400 0.008 0.000 2.441 338 D HA 0.057 4.732 4.640 0.059 0.000 0.231 338 D C 0.000 176.309 176.300 0.014 0.000 1.073 338 D CA -0.642 53.365 54.000 0.012 0.000 0.850 338 D CB 0.917 41.728 40.800 0.018 0.000 1.062 338 D HN 0.512 nan 8.370 nan 0.000 0.524 339 D N 1.955 122.361 120.400 0.009 0.000 2.338 339 D HA -0.082 4.593 4.640 0.059 0.000 0.239 339 D C 0.009 176.323 176.300 0.022 0.000 1.095 339 D CA 0.025 54.032 54.000 0.011 0.000 0.888 339 D CB 0.435 41.236 40.800 0.001 0.000 0.899 339 D HN 0.277 nan 8.370 nan 0.000 0.525 340 D N 0.220 120.638 120.400 0.030 0.000 2.503 340 D HA 0.031 4.706 4.640 0.059 0.000 0.218 340 D C -0.607 175.732 176.300 0.064 0.000 1.183 340 D CA -0.203 53.819 54.000 0.036 0.000 0.827 340 D CB 0.691 41.505 40.800 0.023 0.000 1.034 340 D HN 0.176 nan 8.370 nan 0.000 0.510 341 D N 0.206 120.651 120.400 0.076 0.000 2.233 341 D HA 0.037 4.712 4.640 0.059 0.000 0.240 341 D C -0.893 175.511 176.300 0.174 0.000 1.074 341 D CA -0.503 53.558 54.000 0.102 0.000 0.838 341 D CB 1.009 41.842 40.800 0.056 0.000 1.124 341 D HN -0.031 nan 8.370 nan 0.000 0.475 342 W N 7.359 128.642 121.300 -0.027 0.000 2.311 342 W HA 0.289 4.988 4.660 0.064 0.000 0.317 342 W C -0.984 175.518 176.519 -0.027 0.000 1.065 342 W CA -0.640 56.686 57.345 -0.031 0.000 1.364 342 W CB 0.358 29.800 29.460 -0.030 0.000 1.233 342 W HN 0.504 nan 8.180 nan 0.000 0.409 343 N N 4.554 123.056 118.700 -0.330 0.000 2.545 343 N HA 0.411 5.186 4.740 0.059 0.000 0.289 343 N C -2.501 172.698 175.510 -0.518 0.000 1.279 343 N CA -1.744 51.109 53.050 -0.328 0.000 0.824 343 N CB 1.714 40.097 38.487 -0.174 0.000 1.395 343 N HN -0.033 nan 8.380 nan 0.000 0.526 344 P HA -0.140 nan 4.420 nan 0.000 0.216 344 P C 1.526 178.629 177.300 -0.330 0.000 1.150 344 P CA 0.995 63.902 63.100 -0.322 0.000 0.843 344 P CB 0.013 31.595 31.700 -0.196 0.000 0.787 345 C N -0.371 118.762 119.300 -0.279 0.000 2.413 345 C HA -0.147 4.348 4.460 0.059 0.000 0.277 345 C C 2.484 177.306 174.990 -0.280 0.000 1.228 345 C CA 1.444 60.320 59.018 -0.237 0.000 1.731 345 C CB -1.544 26.092 27.740 -0.173 0.000 2.042 345 C HN 0.060 nan 8.230 nan 0.000 0.468 346 K N 0.936 121.121 120.400 -0.358 0.000 2.057 346 K HA 0.037 4.392 4.320 0.059 0.000 0.207 346 K C 2.257 178.537 176.600 -0.533 0.000 1.049 346 K CA 1.737 57.799 56.287 -0.375 0.000 0.931 346 K CB -0.579 31.713 32.500 -0.346 0.000 0.714 346 K HN 0.580 nan 8.250 nan 0.000 0.440 347 A N 0.636 122.905 122.820 -0.919 0.000 1.933 347 A HA -0.097 4.258 4.320 0.059 0.000 0.218 347 A C 2.308 179.737 177.584 -0.259 0.000 1.175 347 A CA 1.933 53.508 52.037 -0.770 0.000 0.628 347 A CB -0.858 17.653 19.000 -0.815 0.000 0.814 347 A HN 0.313 nan 8.150 nan 0.000 0.444 348 A N -0.459 122.214 122.820 -0.245 0.000 1.930 348 A HA 0.158 4.513 4.320 0.059 0.000 0.217 348 A C 2.384 179.907 177.584 -0.102 0.000 1.175 348 A CA 1.825 53.775 52.037 -0.144 0.000 0.627 348 A CB -1.315 17.586 19.000 -0.165 0.000 0.815 348 A HN 0.685 nan 8.150 nan 0.000 0.443 349 G N -0.426 108.300 108.800 -0.123 0.000 2.433 349 G HA2 -0.142 3.853 3.960 0.059 0.000 0.216 349 G HA3 -0.142 3.853 3.960 0.059 0.000 0.216 349 G C 1.523 176.418 174.900 -0.009 0.000 1.186 349 G CA 1.294 46.349 45.100 -0.075 0.000 0.779 349 G HN 0.307 nan 8.290 nan 0.000 0.543 350 V N 0.125 120.048 119.914 0.014 0.000 2.343 350 V HA -0.212 3.943 4.120 0.059 0.000 0.247 350 V C 2.953 179.104 176.094 0.095 0.000 1.051 350 V CA 1.698 64.056 62.300 0.097 0.000 1.036 350 V CB -0.637 31.322 31.823 0.228 0.000 0.654 350 V HN 0.579 nan 8.190 nan 0.000 0.451 351 C N -0.426 118.921 119.300 0.079 0.000 2.413 351 C HA -0.158 4.337 4.460 0.059 0.000 0.276 351 C C 2.645 177.675 174.990 0.066 0.000 1.248 351 C CA 1.175 60.246 59.018 0.088 0.000 1.742 351 C CB -1.121 26.667 27.740 0.081 0.000 2.017 351 C HN 0.568 nan 8.230 nan 0.000 0.481 352 L N 0.029 121.273 121.223 0.035 0.000 2.042 352 L HA -0.212 4.163 4.340 0.059 0.000 0.210 352 L C 2.688 179.591 176.870 0.056 0.000 1.076 352 L CA 1.914 56.772 54.840 0.030 0.000 0.749 352 L CB -0.422 41.643 42.059 0.011 0.000 0.893 352 L HN 0.442 nan 8.230 nan 0.000 0.432 353 M N -1.099 118.547 119.600 0.076 0.000 2.175 353 M HA -0.212 4.303 4.480 0.059 0.000 0.264 353 M C 2.223 178.564 176.300 0.069 0.000 1.063 353 M CA 1.554 56.905 55.300 0.086 0.000 1.119 353 M CB -0.311 32.362 32.600 0.121 0.000 1.377 353 M HN 0.241 nan 8.290 nan 0.000 0.415 354 L N 0.117 121.384 121.223 0.074 0.000 2.056 354 L HA -0.172 4.203 4.340 0.059 0.000 0.207 354 L C 2.353 179.267 176.870 0.075 0.000 1.078 354 L CA 1.045 55.927 54.840 0.070 0.000 0.749 354 L CB -0.506 41.600 42.059 0.079 0.000 0.901 354 L HN 0.303 nan 8.230 nan 0.000 0.433 355 L N -0.530 120.742 121.223 0.082 0.000 2.191 355 L HA -0.196 4.179 4.340 0.059 0.000 0.212 355 L C 2.736 179.650 176.870 0.074 0.000 1.103 355 L CA 1.010 55.902 54.840 0.087 0.000 0.769 355 L CB -0.590 41.512 42.059 0.071 0.000 0.908 355 L HN 0.254 nan 8.230 nan 0.000 0.438 356 A N -0.219 122.636 122.820 0.059 0.000 1.930 356 A HA -0.142 4.213 4.320 0.059 0.000 0.215 356 A C 2.351 179.960 177.584 0.041 0.000 1.176 356 A CA 1.765 53.830 52.037 0.046 0.000 0.632 356 A CB -0.672 18.346 19.000 0.030 0.000 0.819 356 A HN 0.478 nan 8.150 nan 0.000 0.445 357 T N -4.210 110.369 114.554 0.042 0.000 3.067 357 T HA -0.069 4.316 4.350 0.059 0.000 0.261 357 T C 1.742 176.469 174.700 0.044 0.000 1.110 357 T CA 1.029 63.149 62.100 0.034 0.000 1.113 357 T CB -0.639 68.245 68.868 0.027 0.000 0.917 357 T HN 0.401 nan 8.240 nan 0.000 0.499 358 C N 0.260 119.596 119.300 0.060 0.000 2.524 358 C HA 0.286 4.781 4.460 0.059 0.000 0.284 358 C C 2.341 177.392 174.990 0.103 0.000 1.346 358 C CA 0.062 59.126 59.018 0.076 0.000 1.739 358 C CB -0.932 26.862 27.740 0.089 0.000 2.119 358 C HN 0.713 nan 8.230 nan 0.000 0.501 359 C N 1.010 120.372 119.300 0.103 0.000 2.884 359 C HA 0.298 4.793 4.460 0.059 0.000 0.287 359 C C 0.913 175.954 174.990 0.085 0.000 1.310 359 C CA -0.554 58.532 59.018 0.113 0.000 1.725 359 C CB -2.153 25.662 27.740 0.125 0.000 2.060 359 C HN 0.766 nan 8.230 nan 0.000 0.618 360 E N 1.225 121.465 120.200 0.066 0.000 3.521 360 E HA -0.338 4.047 4.350 0.059 0.000 0.371 360 E C 0.526 177.150 176.600 0.041 0.000 1.564 360 E CA 1.739 58.166 56.400 0.045 0.000 1.834 360 E CB -0.742 28.981 29.700 0.039 0.000 1.742 360 E HN 0.446 nan 8.360 nan 0.000 0.445 361 D N 0.657 121.075 120.400 0.030 0.000 2.239 361 D HA -0.153 4.522 4.640 0.059 0.000 0.202 361 D C 1.376 177.694 176.300 0.029 0.000 0.993 361 D CA 1.745 55.758 54.000 0.022 0.000 0.874 361 D CB -0.495 40.312 40.800 0.012 0.000 0.922 361 D HN 0.268 nan 8.370 nan 0.000 0.464 362 D N 0.619 121.049 120.400 0.050 0.000 2.182 362 D HA -0.123 4.552 4.640 0.059 0.000 0.201 362 D C 2.041 178.417 176.300 0.127 0.000 0.986 362 D CA 0.237 54.282 54.000 0.074 0.000 0.847 362 D CB -0.215 40.650 40.800 0.108 0.000 0.942 362 D HN 0.298 nan 8.370 nan 0.000 0.467 363 I N 0.043 120.688 120.570 0.125 0.000 2.353 363 I HA -0.212 3.993 4.170 0.059 0.000 0.248 363 I C 1.773 177.958 176.117 0.113 0.000 1.119 363 I CA 0.522 61.918 61.300 0.160 0.000 1.417 363 I CB 0.171 38.232 38.000 0.102 0.000 1.078 363 I HN -0.130 nan 8.210 nan 0.000 0.421 364 V N 2.860 122.807 119.914 0.055 0.000 2.250 364 V HA -0.226 3.930 4.120 0.059 0.000 0.250 364 V C -0.406 175.699 176.094 0.019 0.000 1.060 364 V CA 2.457 64.781 62.300 0.040 0.000 1.030 364 V CB -2.500 29.336 31.823 0.023 0.000 0.643 364 V HN 0.424 nan 8.190 nan 0.000 0.445 365 P HA -0.146 nan 4.420 nan 0.000 0.225 365 P C 1.015 178.221 177.300 -0.156 0.000 1.148 365 P CA 1.632 64.653 63.100 -0.131 0.000 0.779 365 P CB -0.169 31.400 31.700 -0.218 0.000 0.780 366 H N -1.536 117.549 119.070 0.024 0.000 2.547 366 H HA 0.072 4.670 4.556 0.070 0.000 0.272 366 H C 1.812 177.168 175.328 0.046 0.000 0.971 366 H CA 0.369 56.428 56.048 0.019 0.000 1.245 366 H CB 0.210 29.968 29.762 -0.007 0.000 1.440 366 H HN -0.083 nan 8.280 nan 0.000 0.540 367 V N 0.071 120.084 119.914 0.166 0.000 2.795 367 V HA -0.078 4.077 4.120 0.059 0.000 0.243 367 V C 2.222 178.438 176.094 0.203 0.000 1.069 367 V CA 0.490 62.886 62.300 0.160 0.000 1.089 367 V CB -0.199 31.697 31.823 0.121 0.000 0.756 367 V HN 0.323 nan 8.190 nan 0.000 0.471 368 L N 1.124 122.443 121.223 0.160 0.000 2.051 368 L HA -0.148 4.228 4.340 0.059 0.000 0.214 368 L C 0.248 177.208 176.870 0.150 0.000 1.076 368 L CA 2.198 57.133 54.840 0.159 0.000 0.758 368 L CB -1.524 40.599 42.059 0.107 0.000 0.890 368 L HN 0.374 nan 8.230 nan 0.000 0.433 369 P HA -0.256 nan 4.420 nan 0.000 0.216 369 P C 1.570 178.956 177.300 0.142 0.000 1.150 369 P CA 1.609 64.772 63.100 0.104 0.000 0.837 369 P CB -0.199 31.553 31.700 0.087 0.000 0.786 370 F N 0.767 120.776 119.950 0.098 0.000 2.163 370 F HA -0.067 4.494 4.527 0.057 0.000 0.297 370 F C 2.259 178.172 175.800 0.190 0.000 1.094 370 F CA 1.094 59.197 58.000 0.172 0.000 1.290 370 F CB -0.741 38.362 39.000 0.172 0.000 1.017 370 F HN -0.304 nan 8.300 nan 0.000 0.483 371 I N 0.221 121.013 120.570 0.370 0.000 2.226 371 I HA -0.289 3.916 4.170 0.059 0.000 0.245 371 I C 2.296 178.449 176.117 0.061 0.000 1.100 371 I CA 1.002 62.453 61.300 0.251 0.000 1.374 371 I CB -0.490 37.671 38.000 0.268 0.000 1.057 371 I HN 0.014 nan 8.210 nan 0.000 0.413 372 K N 0.736 121.151 120.400 0.026 0.000 2.026 372 K HA -0.208 4.147 4.320 0.059 0.000 0.208 372 K C 1.938 178.467 176.600 -0.118 0.000 1.048 372 K CA 1.399 57.661 56.287 -0.042 0.000 0.929 372 K CB -0.540 31.943 32.500 -0.028 0.000 0.713 372 K HN 0.373 nan 8.250 nan 0.000 0.439 373 E N -0.079 120.000 120.200 -0.200 0.000 2.153 373 E HA -0.182 4.203 4.350 0.059 0.000 0.194 373 E C 1.191 177.459 176.600 -0.552 0.000 0.988 373 E CA 1.004 57.165 56.400 -0.398 0.000 0.811 373 E CB 0.173 29.553 29.700 -0.533 0.000 0.746 373 E HN 0.379 nan 8.360 nan 0.000 0.466 374 H N -1.256 117.673 119.070 -0.235 0.000 2.827 374 H HA 0.051 4.639 4.556 0.053 0.000 0.269 374 H C 1.678 176.957 175.328 -0.081 0.000 1.031 374 H CA -0.004 55.928 56.048 -0.194 0.000 1.202 374 H CB 0.511 30.076 29.762 -0.328 0.000 1.511 374 H HN 0.190 nan 8.280 nan 0.000 0.517 375 I N 1.180 121.762 120.570 0.020 0.000 2.423 375 I HA -0.196 4.009 4.170 0.059 0.000 0.254 375 I C 1.582 177.708 176.117 0.015 0.000 1.151 375 I CA 1.545 62.857 61.300 0.020 0.000 1.421 375 I CB 0.123 38.102 38.000 -0.035 0.000 1.079 375 I HN -0.137 nan 8.210 nan 0.000 0.431 376 K N 0.442 120.838 120.400 -0.006 0.000 2.387 376 K HA 0.178 4.534 4.320 0.059 0.000 0.203 376 K C 0.120 176.724 176.600 0.007 0.000 1.030 376 K CA -0.196 56.088 56.287 -0.005 0.000 1.099 376 K CB -0.503 31.979 32.500 -0.030 0.000 0.863 376 K HN 0.417 nan 8.250 nan 0.000 0.529 377 N N 1.624 120.344 118.700 0.032 0.000 2.458 377 N HA -0.023 4.752 4.740 0.059 0.000 0.258 377 N C -1.904 173.641 175.510 0.057 0.000 1.219 377 N CA -1.075 52.000 53.050 0.042 0.000 0.902 377 N CB 1.218 39.783 38.487 0.130 0.000 1.076 377 N HN -0.175 nan 8.380 nan 0.000 0.455 378 P HA -0.082 nan 4.420 nan 0.000 0.221 378 P C -0.654 176.700 177.300 0.090 0.000 1.150 378 P CA 0.898 64.030 63.100 0.054 0.000 0.800 378 P CB 0.136 31.851 31.700 0.025 0.000 0.787 379 D N -0.076 120.359 120.400 0.058 0.000 2.338 379 D HA -0.049 4.626 4.640 0.059 0.000 0.255 379 D C 1.223 177.564 176.300 0.068 0.000 1.237 379 D CA -0.601 53.418 54.000 0.032 0.000 0.883 379 D CB 0.112 40.904 40.800 -0.014 0.000 1.087 379 D HN 0.173 nan 8.370 nan 0.000 0.485 380 W N 5.018 126.367 121.300 0.082 0.000 2.350 380 W HA -0.193 4.506 4.660 0.066 0.000 0.289 380 W C 1.089 177.648 176.519 0.065 0.000 1.215 380 W CA 0.165 57.550 57.345 0.067 0.000 1.236 380 W CB -0.707 28.779 29.460 0.042 0.000 1.130 380 W HN 0.370 nan 8.180 nan 0.000 0.541 381 R N -0.045 120.008 120.500 -0.745 0.000 2.091 381 R HA -0.199 4.176 4.340 0.059 0.000 0.238 381 R C 2.153 178.265 176.300 -0.314 0.000 1.136 381 R CA 2.197 57.877 56.100 -0.701 0.000 0.959 381 R CB -1.023 28.755 30.300 -0.869 0.000 0.856 381 R HN 0.220 nan 8.270 nan 0.000 0.437 382 Y N 0.157 120.319 120.300 -0.230 0.000 2.337 382 Y HA 0.004 4.584 4.550 0.050 0.000 0.293 382 Y C 2.582 178.454 175.900 -0.047 0.000 1.123 382 Y CA 0.767 58.745 58.100 -0.203 0.000 1.201 382 Y CB -0.132 38.119 38.460 -0.350 0.000 1.011 382 Y HN -0.055 nan 8.280 nan 0.000 0.545 383 R N 0.430 121.029 120.500 0.165 0.000 2.073 383 R HA -0.199 4.176 4.340 0.059 0.000 0.234 383 R C 1.772 178.172 176.300 0.167 0.000 1.134 383 R CA 2.082 58.281 56.100 0.165 0.000 0.952 383 R CB -0.404 30.001 30.300 0.174 0.000 0.850 383 R HN 0.366 nan 8.270 nan 0.000 0.433 384 D N -0.436 120.073 120.400 0.182 0.000 2.097 384 D HA -0.136 4.539 4.640 0.059 0.000 0.195 384 D C 1.738 178.130 176.300 0.154 0.000 0.989 384 D CA 1.576 55.686 54.000 0.183 0.000 0.827 384 D CB -0.015 40.929 40.800 0.240 0.000 0.966 384 D HN 0.347 nan 8.370 nan 0.000 0.456 385 A N 0.323 123.209 122.820 0.111 0.000 1.978 385 A HA -0.031 4.324 4.320 0.059 0.000 0.220 385 A C 2.311 180.073 177.584 0.297 0.000 1.170 385 A CA 2.049 54.168 52.037 0.136 0.000 0.636 385 A CB -0.961 18.091 19.000 0.088 0.000 0.810 385 A HN 0.357 nan 8.150 nan 0.000 0.448 386 A N -0.636 122.381 122.820 0.328 0.000 1.929 386 A HA 0.086 4.441 4.320 0.059 0.000 0.216 386 A C 2.164 179.922 177.584 0.291 0.000 1.176 386 A CA 1.646 53.897 52.037 0.356 0.000 0.628 386 A CB -0.675 18.462 19.000 0.228 0.000 0.816 386 A HN 0.422 nan 8.150 nan 0.000 0.444 387 V N -0.693 119.365 119.914 0.240 0.000 2.407 387 V HA -0.221 3.934 4.120 0.059 0.000 0.245 387 V C 2.487 178.790 176.094 0.348 0.000 1.041 387 V CA 2.018 64.477 62.300 0.264 0.000 1.040 387 V CB -0.792 31.155 31.823 0.208 0.000 0.671 387 V HN 0.618 nan 8.190 nan 0.000 0.455 388 M N 1.790 121.564 119.600 0.291 0.000 2.065 388 M HA -0.130 4.385 4.480 0.059 0.000 0.259 388 M C 2.164 178.643 176.300 0.299 0.000 1.071 388 M CA 2.444 57.921 55.300 0.295 0.000 1.109 388 M CB -0.902 31.780 32.600 0.137 0.000 1.313 388 M HN 0.239 nan 8.290 nan 0.000 0.408 389 A N -0.569 122.388 122.820 0.228 0.000 1.948 389 A HA -0.224 4.131 4.320 0.059 0.000 0.220 389 A C 2.166 179.888 177.584 0.230 0.000 1.177 389 A CA 2.128 54.275 52.037 0.184 0.000 0.636 389 A CB -1.484 17.616 19.000 0.167 0.000 0.815 389 A HN 0.695 nan 8.150 nan 0.000 0.449 390 F N 0.950 120.987 119.950 0.145 0.000 2.075 390 F HA 0.006 4.566 4.527 0.055 0.000 0.297 390 F C 2.361 178.204 175.800 0.072 0.000 1.113 390 F CA 1.626 59.686 58.000 0.099 0.000 1.218 390 F CB -0.852 38.199 39.000 0.084 0.000 0.984 390 F HN 0.192 nan 8.300 nan 0.000 0.472 391 G N -0.795 108.066 108.800 0.101 0.000 2.432 391 G HA2 -0.263 3.732 3.960 0.059 0.000 0.219 391 G HA3 -0.263 3.732 3.960 0.059 0.000 0.219 391 G C 1.656 176.515 174.900 -0.069 0.000 1.135 391 G CA 1.077 46.101 45.100 -0.126 0.000 0.767 391 G HN 0.522 nan 8.290 nan 0.000 0.550 392 C N 0.770 120.180 119.300 0.185 0.000 2.432 392 C HA 0.078 4.573 4.460 0.059 0.000 0.280 392 C C 2.443 177.452 174.990 0.032 0.000 1.353 392 C CA 0.569 59.697 59.018 0.184 0.000 1.766 392 C CB -0.924 26.918 27.740 0.171 0.000 1.924 392 C HN 0.658 nan 8.230 nan 0.000 0.509 393 I N -2.179 118.358 120.570 -0.056 0.000 3.861 393 I HA 0.175 4.380 4.170 0.059 0.000 0.329 393 I C 1.419 177.446 176.117 -0.150 0.000 1.321 393 I CA 0.560 61.815 61.300 -0.075 0.000 1.126 393 I CB -0.466 37.508 38.000 -0.044 0.000 1.018 393 I HN 0.167 nan 8.210 nan 0.000 0.407 394 L N 1.069 122.157 121.223 -0.225 0.000 2.395 394 L HA 0.143 4.519 4.340 0.059 0.000 0.218 394 L C 0.969 177.753 176.870 -0.144 0.000 1.130 394 L CA 0.846 55.536 54.840 -0.249 0.000 0.826 394 L CB -0.163 41.690 42.059 -0.344 0.000 0.941 394 L HN 0.445 nan 8.230 nan 0.000 0.451 395 E N -0.661 119.482 120.200 -0.095 0.000 2.158 395 E HA 0.440 4.825 4.350 0.059 0.000 0.271 395 E C 0.367 176.952 176.600 -0.026 0.000 0.911 395 E CA 0.382 56.749 56.400 -0.054 0.000 0.767 395 E CB 1.368 31.045 29.700 -0.038 0.000 1.120 395 E HN 0.138 nan 8.360 nan 0.000 0.405 396 G N 4.611 113.401 108.800 -0.018 0.000 3.151 396 G HA2 -0.165 3.830 3.960 0.059 0.000 0.197 396 G HA3 -0.165 3.830 3.960 0.059 0.000 0.197 396 G C -2.210 172.690 174.900 0.000 0.000 1.682 396 G CA -0.323 44.777 45.100 0.000 0.000 1.205 396 G HN 0.567 nan 8.290 nan 0.000 0.510 397 P HA 0.323 nan 4.420 nan 0.000 0.270 397 P C -0.187 177.108 177.300 -0.008 0.000 1.227 397 P CA 0.143 63.241 63.100 -0.004 0.000 0.788 397 P CB 0.435 32.127 31.700 -0.013 0.000 0.926 398 E N 2.810 123.009 120.200 -0.002 0.000 2.299 398 E HA 0.013 4.398 4.350 0.059 0.000 0.272 398 E C -1.546 175.051 176.600 -0.006 0.000 1.043 398 E CA -1.591 54.808 56.400 -0.002 0.000 0.895 398 E CB 0.192 29.893 29.700 0.002 0.000 1.011 398 E HN 0.270 nan 8.360 nan 0.000 0.432 399 P HA -0.275 nan 4.420 nan 0.000 0.216 399 P C 1.272 178.571 177.300 -0.001 0.000 1.154 399 P CA 1.909 65.003 63.100 -0.009 0.000 0.865 399 P CB 0.108 31.804 31.700 -0.007 0.000 0.789 400 S N -0.711 114.990 115.700 0.002 0.000 2.400 400 S HA -0.273 4.232 4.470 0.059 0.000 0.232 400 S C 2.156 176.761 174.600 0.008 0.000 1.025 400 S CA 1.447 59.651 58.200 0.006 0.000 0.993 400 S CB -1.201 62.003 63.200 0.006 0.000 0.808 400 S HN 0.277 nan 8.310 nan 0.000 0.478 401 Q N 0.499 120.302 119.800 0.005 0.000 2.212 401 Q HA 0.173 4.548 4.340 0.059 0.000 0.199 401 Q C 2.045 178.053 176.000 0.013 0.000 0.950 401 Q CA 0.755 56.563 55.803 0.008 0.000 0.863 401 Q CB -0.130 28.611 28.738 0.005 0.000 0.944 401 Q HN 0.626 nan 8.270 nan 0.000 0.465 402 L N -0.050 121.177 121.223 0.005 0.000 2.168 402 L HA -0.014 4.361 4.340 0.059 0.000 0.203 402 L C 2.300 179.185 176.870 0.025 0.000 1.078 402 L CA 0.607 55.451 54.840 0.007 0.000 0.780 402 L CB -0.261 41.779 42.059 -0.032 0.000 0.939 402 L HN 0.111 nan 8.230 nan 0.000 0.451 403 K N 0.333 120.743 120.400 0.017 0.000 2.049 403 K HA -0.232 4.123 4.320 0.059 0.000 0.219 403 K C -0.471 176.154 176.600 0.041 0.000 1.056 403 K CA 2.323 58.626 56.287 0.027 0.000 0.946 403 K CB -1.343 31.170 32.500 0.022 0.000 0.723 403 K HN 0.309 nan 8.250 nan 0.000 0.453 404 P HA -0.173 nan 4.420 nan 0.000 0.215 404 P C 1.387 178.717 177.300 0.051 0.000 1.153 404 P CA 1.511 64.636 63.100 0.041 0.000 0.853 404 P CB -0.112 31.607 31.700 0.032 0.000 0.788 405 L N -0.986 120.279 121.223 0.069 0.000 2.275 405 L HA -0.078 4.297 4.340 0.059 0.000 0.215 405 L C 2.537 179.500 176.870 0.155 0.000 1.119 405 L CA 0.956 55.859 54.840 0.105 0.000 0.790 405 L CB -0.732 41.412 42.059 0.143 0.000 0.919 405 L HN -0.143 nan 8.230 nan 0.000 0.443 406 V N -0.696 119.312 119.914 0.158 0.000 2.725 406 V HA -0.112 4.043 4.120 0.059 0.000 0.247 406 V C 2.345 178.464 176.094 0.041 0.000 1.058 406 V CA 0.700 63.123 62.300 0.205 0.000 1.080 406 V CB 0.076 31.994 31.823 0.158 0.000 0.713 406 V HN 0.233 nan 8.190 nan 0.000 0.465 407 I N 1.461 122.044 120.570 0.022 0.000 2.202 407 I HA -0.227 3.978 4.170 0.059 0.000 0.242 407 I C 2.669 178.751 176.117 -0.058 0.000 1.091 407 I CA 1.907 63.201 61.300 -0.009 0.000 1.368 407 I CB -1.201 36.836 38.000 0.061 0.000 1.058 407 I HN 0.539 nan 8.210 nan 0.000 0.410 408 Q N 1.529 121.318 119.800 -0.019 0.000 2.437 408 Q HA -0.005 4.370 4.340 0.059 0.000 0.210 408 Q C 1.718 177.658 176.000 -0.101 0.000 0.972 408 Q CA 1.683 57.466 55.803 -0.033 0.000 0.903 408 Q CB -0.425 28.308 28.738 -0.009 0.000 0.967 408 Q HN 0.390 nan 8.270 nan 0.000 0.486 409 A N -0.257 122.474 122.820 -0.149 0.000 2.220 409 A HA 0.210 4.565 4.320 0.059 0.000 0.211 409 A C 1.716 179.130 177.584 -0.284 0.000 1.176 409 A CA 0.176 52.061 52.037 -0.253 0.000 0.834 409 A CB -0.121 18.620 19.000 -0.433 0.000 0.868 409 A HN 0.275 nan 8.150 nan 0.000 0.488 410 M N 0.226 119.613 119.600 -0.354 0.000 2.082 410 M HA -0.114 4.401 4.480 0.059 0.000 0.258 410 M C -0.452 175.623 176.300 -0.374 0.000 1.069 410 M CA 1.721 56.721 55.300 -0.501 0.000 1.102 410 M CB -2.494 29.425 32.600 -1.136 0.000 1.336 410 M HN 0.099 nan 8.290 nan 0.000 0.404 411 P HA -0.119 nan 4.420 nan 0.000 0.215 411 P C 1.579 178.836 177.300 -0.072 0.000 1.157 411 P CA 1.657 64.713 63.100 -0.074 0.000 0.874 411 P CB -0.234 31.470 31.700 0.006 0.000 0.790 412 T N -0.757 113.734 114.554 -0.106 0.000 2.904 412 T HA -0.080 4.306 4.350 0.059 0.000 0.267 412 T C 1.643 176.287 174.700 -0.092 0.000 1.059 412 T CA 0.676 62.722 62.100 -0.091 0.000 1.137 412 T CB -0.753 68.046 68.868 -0.115 0.000 0.879 412 T HN -0.049 nan 8.240 nan 0.000 0.467 413 L N 0.775 121.919 121.223 -0.131 0.000 2.027 413 L HA 0.059 4.435 4.340 0.059 0.000 0.206 413 L C 2.017 178.855 176.870 -0.053 0.000 1.074 413 L CA 1.405 56.187 54.840 -0.096 0.000 0.745 413 L CB -0.669 41.322 42.059 -0.114 0.000 0.898 413 L HN 0.140 nan 8.230 nan 0.000 0.433 414 I N -0.181 120.354 120.570 -0.060 0.000 2.163 414 I HA -0.301 3.904 4.170 0.059 0.000 0.243 414 I C 2.428 178.540 176.117 -0.008 0.000 1.085 414 I CA 1.407 62.694 61.300 -0.022 0.000 1.347 414 I CB -0.511 37.493 38.000 0.007 0.000 1.044 414 I HN 0.333 nan 8.210 nan 0.000 0.408 415 E N 0.053 120.246 120.200 -0.011 0.000 2.085 415 E HA -0.228 4.157 4.350 0.059 0.000 0.194 415 E C 2.283 178.884 176.600 0.002 0.000 0.994 415 E CA 1.187 57.586 56.400 -0.002 0.000 0.801 415 E CB -0.310 29.387 29.700 -0.006 0.000 0.743 415 E HN 0.446 nan 8.360 nan 0.000 0.453 416 L N 0.510 121.732 121.223 -0.001 0.000 2.265 416 L HA -0.162 4.213 4.340 0.059 0.000 0.215 416 L C 2.333 179.217 176.870 0.023 0.000 1.117 416 L CA 0.428 55.278 54.840 0.016 0.000 0.782 416 L CB -0.264 41.807 42.059 0.020 0.000 0.914 416 L HN 0.259 nan 8.230 nan 0.000 0.441 417 M N -0.366 119.243 119.600 0.014 0.000 2.446 417 M HA -0.150 4.365 4.480 0.059 0.000 0.263 417 M C 1.279 177.587 176.300 0.013 0.000 1.066 417 M CA 1.599 56.908 55.300 0.015 0.000 1.087 417 M CB -0.601 32.000 32.600 0.003 0.000 1.406 417 M HN 0.204 nan 8.290 nan 0.000 0.459 418 K N -0.332 120.076 120.400 0.012 0.000 2.478 418 K HA 0.120 4.475 4.320 0.059 0.000 0.205 418 K C 0.206 176.813 176.600 0.011 0.000 1.033 418 K CA -0.241 56.052 56.287 0.010 0.000 1.091 418 K CB 0.721 33.226 32.500 0.009 0.000 0.844 418 K HN 0.149 nan 8.250 nan 0.000 0.507 419 D N 2.275 122.685 120.400 0.017 0.000 2.449 419 D HA -0.022 4.654 4.640 0.059 0.000 0.236 419 D C -1.319 174.986 176.300 0.008 0.000 1.149 419 D CA -1.158 52.855 54.000 0.022 0.000 0.878 419 D CB 1.237 42.061 40.800 0.040 0.000 1.198 419 D HN -0.027 nan 8.370 nan 0.000 0.446 420 P HA -0.074 nan 4.420 nan 0.000 0.219 420 P C 0.638 177.905 177.300 -0.054 0.000 1.150 420 P CA 0.277 63.366 63.100 -0.018 0.000 0.814 420 P CB 0.157 31.852 31.700 -0.008 0.000 0.787 421 S N -0.308 115.356 115.700 -0.060 0.000 2.533 421 S HA 0.118 4.623 4.470 0.059 0.000 0.282 421 S C 1.428 175.955 174.600 -0.122 0.000 1.304 421 S CA -0.606 57.500 58.200 -0.158 0.000 1.063 421 S CB 0.342 63.453 63.200 -0.149 0.000 0.881 421 S HN -0.179 nan 8.310 nan 0.000 0.493 422 V N 6.300 126.111 119.914 -0.172 0.000 2.379 422 V HA -0.103 4.052 4.120 0.059 0.000 0.245 422 V C 2.364 178.410 176.094 -0.080 0.000 1.044 422 V CA 1.633 63.868 62.300 -0.108 0.000 1.036 422 V CB -0.881 30.872 31.823 -0.118 0.000 0.664 422 V HN 0.822 nan 8.190 nan 0.000 0.453 423 V N 0.235 120.065 119.914 -0.140 0.000 2.282 423 V HA -0.259 3.896 4.120 0.059 0.000 0.249 423 V C 2.487 178.611 176.094 0.050 0.000 1.057 423 V CA 2.190 64.463 62.300 -0.045 0.000 1.032 423 V CB -0.672 31.118 31.823 -0.056 0.000 0.645 423 V HN 0.426 nan 8.190 nan 0.000 0.447 424 V N -0.316 119.638 119.914 0.066 0.000 2.343 424 V HA -0.267 3.888 4.120 0.059 0.000 0.247 424 V C 2.552 178.697 176.094 0.084 0.000 1.051 424 V CA 2.162 64.529 62.300 0.111 0.000 1.036 424 V CB -0.822 31.074 31.823 0.122 0.000 0.654 424 V HN 0.442 nan 8.190 nan 0.000 0.451 425 R N -0.063 120.465 120.500 0.047 0.000 2.115 425 R HA -0.153 4.222 4.340 0.059 0.000 0.230 425 R C 2.237 178.579 176.300 0.069 0.000 1.111 425 R CA 1.499 57.627 56.100 0.048 0.000 0.976 425 R CB -0.442 29.871 30.300 0.021 0.000 0.870 425 R HN 0.602 nan 8.270 nan 0.000 0.445 426 D N -0.134 120.304 120.400 0.064 0.000 2.078 426 D HA -0.141 4.534 4.640 0.059 0.000 0.193 426 D C 1.357 177.739 176.300 0.137 0.000 0.990 426 D CA 1.824 55.872 54.000 0.081 0.000 0.827 426 D CB -0.060 40.767 40.800 0.045 0.000 0.975 426 D HN 0.052 nan 8.370 nan 0.000 0.451 427 T N 0.694 115.332 114.554 0.138 0.000 2.684 427 T HA -0.093 4.292 4.350 0.059 0.000 0.267 427 T C 2.050 176.917 174.700 0.278 0.000 1.036 427 T CA 2.073 64.304 62.100 0.218 0.000 1.148 427 T CB -0.637 68.346 68.868 0.192 0.000 0.863 427 T HN 0.324 nan 8.240 nan 0.000 0.436 428 A N 1.458 124.391 122.820 0.188 0.000 1.948 428 A HA 0.047 4.402 4.320 0.059 0.000 0.220 428 A C 2.623 180.290 177.584 0.138 0.000 1.177 428 A CA 1.996 54.125 52.037 0.152 0.000 0.636 428 A CB -1.089 17.966 19.000 0.092 0.000 0.815 428 A HN 0.534 nan 8.150 nan 0.000 0.449 429 A N -1.499 121.408 122.820 0.146 0.000 1.877 429 A HA -0.141 4.214 4.320 0.059 0.000 0.216 429 A C 1.982 179.677 177.584 0.186 0.000 1.186 429 A CA 1.585 53.698 52.037 0.127 0.000 0.620 429 A CB -0.934 18.142 19.000 0.127 0.000 0.822 429 A HN 0.880 nan 8.150 nan 0.000 0.443 430 W N 1.291 122.629 121.300 0.064 0.000 2.338 430 W HA -0.162 4.532 4.660 0.056 0.000 0.304 430 W C 2.153 178.707 176.519 0.058 0.000 1.212 430 W CA 2.515 59.899 57.345 0.066 0.000 1.264 430 W CB -0.689 28.805 29.460 0.058 0.000 1.142 430 W HN 0.267 nan 8.180 nan 0.000 0.512 431 T N 0.361 114.968 114.554 0.088 0.000 2.788 431 T HA -0.205 4.180 4.350 0.059 0.000 0.268 431 T C 1.860 176.481 174.700 -0.132 0.000 1.044 431 T CA 1.851 63.875 62.100 -0.127 0.000 1.139 431 T CB -0.734 68.230 68.868 0.159 0.000 0.867 431 T HN 0.011 nan 8.240 nan 0.000 0.454 432 V N 1.340 121.229 119.914 -0.042 0.000 2.358 432 V HA -0.091 4.064 4.120 0.059 0.000 0.246 432 V C 2.836 178.869 176.094 -0.101 0.000 1.047 432 V CA 1.949 64.216 62.300 -0.055 0.000 1.035 432 V CB -1.253 30.543 31.823 -0.045 0.000 0.658 432 V HN 0.592 nan 8.190 nan 0.000 0.452 433 G N -0.642 108.092 108.800 -0.110 0.000 2.418 433 G HA2 -0.267 3.728 3.960 0.059 0.000 0.217 433 G HA3 -0.267 3.728 3.960 0.059 0.000 0.217 433 G C 1.774 176.559 174.900 -0.191 0.000 1.158 433 G CA 0.725 45.766 45.100 -0.099 0.000 0.771 433 G HN 0.403 nan 8.290 nan 0.000 0.545 434 R N -0.364 119.906 120.500 -0.384 0.000 2.115 434 R HA 0.132 4.507 4.340 0.059 0.000 0.230 434 R C 2.583 178.735 176.300 -0.247 0.000 1.111 434 R CA 0.681 56.537 56.100 -0.407 0.000 0.976 434 R CB -0.244 29.624 30.300 -0.720 0.000 0.870 434 R HN 0.405 nan 8.270 nan 0.000 0.445 435 I N -0.243 120.211 120.570 -0.193 0.000 2.202 435 I HA -0.340 3.865 4.170 0.059 0.000 0.242 435 I C 2.176 178.249 176.117 -0.074 0.000 1.091 435 I CA 0.954 62.186 61.300 -0.114 0.000 1.368 435 I CB -0.328 37.640 38.000 -0.053 0.000 1.058 435 I HN 0.269 nan 8.210 nan 0.000 0.410 436 C N 0.367 119.628 119.300 -0.064 0.000 2.411 436 C HA -0.161 4.334 4.460 0.059 0.000 0.279 436 C C 2.715 177.696 174.990 -0.015 0.000 1.288 436 C CA 0.900 59.901 59.018 -0.028 0.000 1.764 436 C CB -1.098 26.632 27.740 -0.018 0.000 1.974 436 C HN 0.519 nan 8.230 nan 0.000 0.498 437 E N 0.035 120.212 120.200 -0.039 0.000 2.122 437 E HA -0.027 4.359 4.350 0.059 0.000 0.190 437 E C 1.846 178.427 176.600 -0.031 0.000 0.977 437 E CA 0.801 57.186 56.400 -0.025 0.000 0.820 437 E CB 0.120 29.793 29.700 -0.045 0.000 0.770 437 E HN 0.621 nan 8.360 nan 0.000 0.462 438 L N -0.342 120.844 121.223 -0.061 0.000 2.445 438 L HA 0.175 4.550 4.340 0.059 0.000 0.207 438 L C 0.835 177.679 176.870 -0.043 0.000 1.053 438 L CA 0.215 55.020 54.840 -0.058 0.000 0.841 438 L CB 0.493 42.496 42.059 -0.093 0.000 1.074 438 L HN -0.016 nan 8.230 nan 0.000 0.479 439 L N 1.569 122.764 121.223 -0.048 0.000 2.637 439 L HA 0.261 4.636 4.340 0.059 0.000 0.241 439 L C -1.576 175.288 176.870 -0.011 0.000 1.398 439 L CA -1.038 53.786 54.840 -0.027 0.000 0.895 439 L CB 0.787 42.825 42.059 -0.034 0.000 1.183 439 L HN -0.118 nan 8.230 nan 0.000 0.497 440 P HA -0.204 nan 4.420 nan 0.000 0.216 440 P C 0.978 178.291 177.300 0.023 0.000 1.150 440 P CA 1.394 64.502 63.100 0.012 0.000 0.837 440 P CB 0.511 32.225 31.700 0.024 0.000 0.786 441 E N 0.118 120.333 120.200 0.025 0.000 2.219 441 E HA -0.169 4.216 4.350 0.059 0.000 0.198 441 E C 2.162 178.791 176.600 0.049 0.000 0.998 441 E CA 1.277 57.697 56.400 0.034 0.000 0.818 441 E CB -0.482 29.236 29.700 0.030 0.000 0.741 441 E HN 0.267 nan 8.360 nan 0.000 0.477 442 A N 0.714 123.559 122.820 0.043 0.000 2.066 442 A HA 0.059 4.414 4.320 0.059 0.000 0.218 442 A C 2.163 179.790 177.584 0.072 0.000 1.157 442 A CA 1.383 53.454 52.037 0.057 0.000 0.670 442 A CB -0.133 18.883 19.000 0.026 0.000 0.804 442 A HN 0.290 nan 8.150 nan 0.000 0.453 443 A N -0.356 122.493 122.820 0.049 0.000 1.909 443 A HA 0.350 4.705 4.320 0.059 0.000 0.209 443 A C 1.065 178.686 177.584 0.061 0.000 1.247 443 A CA 0.271 52.338 52.037 0.050 0.000 0.660 443 A CB -0.174 18.833 19.000 0.011 0.000 0.910 443 A HN 0.334 nan 8.150 nan 0.000 0.465 444 I N 2.205 122.801 120.570 0.043 0.000 2.382 444 I HA 0.058 4.264 4.170 0.059 0.000 0.297 444 I C -0.157 175.985 176.117 0.042 0.000 1.172 444 I CA -0.079 61.241 61.300 0.033 0.000 1.825 444 I CB -0.843 37.172 38.000 0.025 0.000 1.509 444 I HN 0.258 nan 8.210 nan 0.000 0.842 445 N N 2.880 121.614 118.700 0.057 0.000 2.328 445 N HA 0.188 4.963 4.740 0.059 0.000 0.299 445 N C 0.218 175.731 175.510 0.005 0.000 1.179 445 N CA -0.498 52.582 53.050 0.050 0.000 0.793 445 N CB 2.065 40.626 38.487 0.123 0.000 1.366 445 N HN 0.228 nan 8.380 nan 0.000 0.493 446 D N 1.066 121.452 120.400 -0.025 0.000 2.363 446 D HA 0.010 4.685 4.640 0.059 0.000 0.226 446 D C 1.351 177.586 176.300 -0.108 0.000 1.020 446 D CA 0.618 54.590 54.000 -0.048 0.000 0.892 446 D CB 0.902 41.679 40.800 -0.040 0.000 0.900 446 D HN 0.191 nan 8.370 nan 0.000 0.531 447 V N -0.510 119.291 119.914 -0.189 0.000 2.908 447 V HA -0.059 4.096 4.120 0.059 0.000 0.240 447 V C 1.286 177.065 176.094 -0.524 0.000 1.117 447 V CA 0.626 62.667 62.300 -0.431 0.000 1.133 447 V CB -0.228 31.158 31.823 -0.728 0.000 0.857 447 V HN 0.044 nan 8.190 nan 0.000 0.478 448 Y N -1.086 119.211 120.300 -0.005 0.000 2.462 448 Y HA 0.284 4.870 4.550 0.060 0.000 0.253 448 Y C 1.773 177.665 175.900 -0.014 0.000 1.095 448 Y CA -0.465 57.630 58.100 -0.009 0.000 1.283 448 Y CB -0.069 38.385 38.460 -0.009 0.000 1.138 448 Y HN 0.110 nan 8.280 nan 0.000 0.522 449 L N 0.946 122.226 121.223 0.095 0.000 2.013 449 L HA -0.218 4.157 4.340 0.059 0.000 0.212 449 L C 2.317 179.209 176.870 0.037 0.000 1.073 449 L CA 2.175 57.047 54.840 0.053 0.000 0.753 449 L CB -1.003 41.071 42.059 0.025 0.000 0.890 449 L HN 0.172 nan 8.230 nan 0.000 0.432 450 A N 0.432 123.267 122.820 0.025 0.000 1.845 450 A HA -0.098 4.258 4.320 0.059 0.000 0.215 450 A C 0.022 177.624 177.584 0.030 0.000 1.195 450 A CA 1.918 53.968 52.037 0.022 0.000 0.616 450 A CB -2.205 16.799 19.000 0.006 0.000 0.832 450 A HN 0.516 nan 8.150 nan 0.000 0.443 451 P HA -0.098 nan 4.420 nan 0.000 0.223 451 P C 1.570 178.891 177.300 0.036 0.000 1.151 451 P CA 0.859 63.987 63.100 0.046 0.000 0.787 451 P CB -0.084 31.658 31.700 0.071 0.000 0.788 452 L N -0.337 120.909 121.223 0.039 0.000 2.027 452 L HA -0.076 4.299 4.340 0.059 0.000 0.206 452 L C 2.619 179.457 176.870 -0.053 0.000 1.074 452 L CA 1.554 56.389 54.840 -0.007 0.000 0.745 452 L CB -1.396 40.661 42.059 -0.004 0.000 0.898 452 L HN -0.197 nan 8.230 nan 0.000 0.433 453 L N -0.881 120.328 121.223 -0.024 0.000 2.012 453 L HA -0.281 4.094 4.340 0.059 0.000 0.210 453 L C 2.673 179.563 176.870 0.032 0.000 1.073 453 L CA 1.642 56.481 54.840 -0.001 0.000 0.748 453 L CB -0.572 41.529 42.059 0.070 0.000 0.891 453 L HN 0.413 nan 8.230 nan 0.000 0.431 454 Q N -1.229 118.590 119.800 0.032 0.000 2.124 454 Q HA -0.226 4.150 4.340 0.059 0.000 0.202 454 Q C 2.459 178.472 176.000 0.022 0.000 0.977 454 Q CA 1.763 57.588 55.803 0.036 0.000 0.850 454 Q CB -0.310 28.445 28.738 0.028 0.000 0.901 454 Q HN 0.581 nan 8.270 nan 0.000 0.429 455 C N 0.358 119.657 119.300 -0.003 0.000 2.446 455 C HA -0.092 4.404 4.460 0.059 0.000 0.277 455 C C 2.543 177.513 174.990 -0.033 0.000 1.275 455 C CA 0.523 59.533 59.018 -0.014 0.000 1.727 455 C CB -0.882 26.844 27.740 -0.023 0.000 2.010 455 C HN 0.476 nan 8.230 nan 0.000 0.486 456 L N 0.236 121.398 121.223 -0.101 0.000 2.093 456 L HA -0.103 4.273 4.340 0.059 0.000 0.208 456 L C 2.329 179.234 176.870 0.058 0.000 1.085 456 L CA 1.412 56.139 54.840 -0.187 0.000 0.755 456 L CB -0.519 41.113 42.059 -0.711 0.000 0.904 456 L HN 0.343 nan 8.230 nan 0.000 0.435 457 I N -0.279 120.385 120.570 0.157 0.000 2.394 457 I HA -0.242 3.963 4.170 0.059 0.000 0.251 457 I C 2.334 178.514 176.117 0.105 0.000 1.136 457 I CA 1.252 62.684 61.300 0.220 0.000 1.425 457 I CB -0.178 37.921 38.000 0.165 0.000 1.079 457 I HN 0.287 nan 8.210 nan 0.000 0.425 458 E N 0.644 120.881 120.200 0.061 0.000 2.107 458 E HA -0.105 4.280 4.350 0.059 0.000 0.191 458 E C 2.335 178.954 176.600 0.032 0.000 0.982 458 E CA 0.948 57.369 56.400 0.035 0.000 0.809 458 E CB -0.277 29.436 29.700 0.022 0.000 0.756 458 E HN 0.554 nan 8.360 nan 0.000 0.459 459 G N 1.463 110.284 108.800 0.034 0.000 2.462 459 G HA2 -0.242 3.753 3.960 0.059 0.000 0.220 459 G HA3 -0.242 3.753 3.960 0.059 0.000 0.220 459 G C 1.501 176.424 174.900 0.038 0.000 1.121 459 G CA 0.433 45.550 45.100 0.030 0.000 0.758 459 G HN 0.122 nan 8.290 nan 0.000 0.559 460 L N 0.917 122.175 121.223 0.058 0.000 2.450 460 L HA -0.017 4.358 4.340 0.059 0.000 0.224 460 L C 2.521 179.394 176.870 0.006 0.000 1.149 460 L CA 0.715 55.577 54.840 0.038 0.000 0.816 460 L CB 0.059 42.144 42.059 0.043 0.000 0.932 460 L HN 0.143 nan 8.230 nan 0.000 0.449 461 S N -0.874 114.830 115.700 0.008 0.000 2.503 461 S HA 0.263 4.768 4.470 0.059 0.000 0.215 461 S C 1.139 175.738 174.600 -0.002 0.000 1.003 461 S CA 0.122 58.321 58.200 -0.003 0.000 0.910 461 S CB 0.187 63.386 63.200 -0.002 0.000 0.790 461 S HN 0.379 nan 8.310 nan 0.000 0.514 462 A N 1.737 124.559 122.820 0.004 0.000 2.325 462 A HA 0.342 4.697 4.320 0.059 0.000 0.260 462 A C 0.212 177.795 177.584 -0.000 0.000 1.133 462 A CA -0.360 51.678 52.037 0.002 0.000 0.801 462 A CB -0.053 18.951 19.000 0.007 0.000 1.092 462 A HN 0.306 nan 8.150 nan 0.000 0.504 463 E N 0.500 120.697 120.200 -0.004 0.000 2.467 463 E HA 0.097 4.482 4.350 0.059 0.000 0.264 463 E C -1.830 174.772 176.600 0.003 0.000 1.020 463 E CA -0.425 55.972 56.400 -0.005 0.000 0.945 463 E CB -0.264 29.428 29.700 -0.013 0.000 0.942 463 E HN 0.349 nan 8.360 nan 0.000 0.449 464 P HA -0.278 nan 4.420 nan 0.000 0.217 464 P C 1.175 178.489 177.300 0.024 0.000 1.158 464 P CA 1.605 64.710 63.100 0.010 0.000 0.887 464 P CB 0.123 31.826 31.700 0.005 0.000 0.792 465 R N -0.318 120.192 120.500 0.018 0.000 2.133 465 R HA -0.159 4.216 4.340 0.059 0.000 0.247 465 R C 1.721 178.050 176.300 0.048 0.000 1.151 465 R CA 1.848 57.964 56.100 0.027 0.000 0.971 465 R CB -0.688 29.616 30.300 0.006 0.000 0.866 465 R HN 0.086 nan 8.270 nan 0.000 0.447 466 V N 0.071 120.009 119.914 0.039 0.000 2.374 466 V HA -0.018 4.137 4.120 0.059 0.000 0.241 466 V C 2.384 178.517 176.094 0.064 0.000 1.034 466 V CA 1.465 63.796 62.300 0.053 0.000 1.037 466 V CB -0.543 31.299 31.823 0.031 0.000 0.682 466 V HN 0.503 nan 8.190 nan 0.000 0.463 467 A N -0.270 122.576 122.820 0.043 0.000 1.986 467 A HA -0.257 4.098 4.320 0.059 0.000 0.220 467 A C 2.472 180.081 177.584 0.043 0.000 1.171 467 A CA 2.433 54.492 52.037 0.036 0.000 0.640 467 A CB -0.761 18.245 19.000 0.011 0.000 0.811 467 A HN 0.474 nan 8.150 nan 0.000 0.451 468 S N 0.336 116.075 115.700 0.064 0.000 2.351 468 S HA -0.171 4.334 4.470 0.059 0.000 0.220 468 S C 1.916 176.641 174.600 0.207 0.000 1.035 468 S CA 1.527 59.787 58.200 0.100 0.000 1.031 468 S CB -0.467 62.831 63.200 0.163 0.000 0.928 468 S HN 0.725 nan 8.310 nan 0.000 0.433 469 N N 1.074 119.932 118.700 0.265 0.000 2.289 469 N HA -0.045 4.730 4.740 0.059 0.000 0.184 469 N C 1.617 177.280 175.510 0.255 0.000 1.016 469 N CA 0.709 53.970 53.050 0.353 0.000 0.872 469 N CB -0.619 38.045 38.487 0.295 0.000 0.973 469 N HN 0.213 nan 8.380 nan 0.000 0.433 470 V N 0.490 120.490 119.914 0.144 0.000 2.427 470 V HA -0.212 3.943 4.120 0.059 0.000 0.248 470 V C 2.445 178.606 176.094 0.113 0.000 1.051 470 V CA 1.030 63.380 62.300 0.085 0.000 1.048 470 V CB -0.561 31.298 31.823 0.061 0.000 0.666 470 V HN 0.344 nan 8.190 nan 0.000 0.456 471 C N -0.870 118.457 119.300 0.044 0.000 2.413 471 C HA -0.215 4.280 4.460 0.059 0.000 0.276 471 C C 2.498 177.443 174.990 -0.074 0.000 1.236 471 C CA 0.778 59.748 59.018 -0.080 0.000 1.735 471 C CB -1.252 26.277 27.740 -0.351 0.000 2.031 471 C HN 0.752 nan 8.230 nan 0.000 0.474 472 W N 0.947 122.319 121.300 0.119 0.000 2.363 472 W HA -0.068 4.628 4.660 0.060 0.000 0.296 472 W C 2.657 179.230 176.519 0.090 0.000 1.212 472 W CA 0.950 58.360 57.345 0.108 0.000 1.260 472 W CB -0.640 28.890 29.460 0.118 0.000 1.131 472 W HN 0.299 nan 8.180 nan 0.000 0.530 473 A N 0.028 123.004 122.820 0.260 0.000 1.883 473 A HA -0.223 4.133 4.320 0.059 0.000 0.217 473 A C 1.751 179.381 177.584 0.077 0.000 1.186 473 A CA 1.542 53.639 52.037 0.100 0.000 0.624 473 A CB -1.270 17.719 19.000 -0.018 0.000 0.822 473 A HN 0.246 nan 8.150 nan 0.000 0.444 474 F N 1.395 121.372 119.950 0.045 0.000 2.095 474 F HA -0.231 4.331 4.527 0.059 0.000 0.298 474 F C 3.092 178.911 175.800 0.032 0.000 1.104 474 F CA 1.673 59.679 58.000 0.011 0.000 1.232 474 F CB -0.671 38.306 39.000 -0.038 0.000 0.987 474 F HN 0.392 nan 8.300 nan 0.000 0.475 475 S N -0.516 115.339 115.700 0.259 0.000 2.374 475 S HA -0.228 4.277 4.470 0.059 0.000 0.227 475 S C 2.151 176.869 174.600 0.197 0.000 1.037 475 S CA 1.643 59.960 58.200 0.195 0.000 1.024 475 S CB -1.172 62.147 63.200 0.199 0.000 0.861 475 S HN 0.433 nan 8.310 nan 0.000 0.456 476 S N 1.607 117.422 115.700 0.192 0.000 2.436 476 S HA 0.141 4.646 4.470 0.059 0.000 0.228 476 S C 1.765 176.434 174.600 0.114 0.000 1.014 476 S CA 0.628 58.911 58.200 0.139 0.000 0.950 476 S CB -0.636 62.627 63.200 0.105 0.000 0.784 476 S HN 0.427 nan 8.310 nan 0.000 0.504 477 L N 2.054 123.346 121.223 0.115 0.000 2.109 477 L HA 0.272 4.647 4.340 0.059 0.000 0.207 477 L C 2.560 179.509 176.870 0.131 0.000 1.086 477 L CA 1.501 56.396 54.840 0.091 0.000 0.760 477 L CB -1.064 41.029 42.059 0.056 0.000 0.910 477 L HN 0.316 nan 8.230 nan 0.000 0.437 478 A N -0.606 122.327 122.820 0.187 0.000 1.902 478 A HA -0.202 4.153 4.320 0.059 0.000 0.217 478 A C 2.129 179.865 177.584 0.253 0.000 1.181 478 A CA 1.759 53.929 52.037 0.222 0.000 0.623 478 A CB -0.568 18.569 19.000 0.229 0.000 0.818 478 A HN 0.612 nan 8.150 nan 0.000 0.443 479 E N -0.142 120.178 120.200 0.199 0.000 2.031 479 E HA -0.114 4.271 4.350 0.059 0.000 0.193 479 E C 2.353 179.082 176.600 0.216 0.000 0.994 479 E CA 0.999 57.518 56.400 0.199 0.000 0.800 479 E CB -0.341 29.445 29.700 0.144 0.000 0.752 479 E HN 0.592 nan 8.360 nan 0.000 0.447 480 A N 1.552 124.463 122.820 0.153 0.000 1.940 480 A HA -0.141 4.215 4.320 0.059 0.000 0.219 480 A C 2.386 180.051 177.584 0.135 0.000 1.176 480 A CA 1.758 53.867 52.037 0.120 0.000 0.631 480 A CB -0.627 18.418 19.000 0.075 0.000 0.814 480 A HN 0.295 nan 8.150 nan 0.000 0.446 481 A N -1.671 121.237 122.820 0.146 0.000 1.898 481 A HA -0.071 4.284 4.320 0.059 0.000 0.216 481 A C 2.127 179.899 177.584 0.313 0.000 1.181 481 A CA 1.583 53.692 52.037 0.119 0.000 0.620 481 A CB -0.761 18.192 19.000 -0.078 0.000 0.819 481 A HN 0.664 nan 8.150 nan 0.000 0.442 482 Y N 0.767 121.255 120.300 0.315 0.000 2.145 482 Y HA -0.200 4.385 4.550 0.058 0.000 0.286 482 Y C 2.334 178.334 175.900 0.167 0.000 1.145 482 Y CA 2.228 60.511 58.100 0.306 0.000 1.148 482 Y CB -0.319 38.269 38.460 0.213 0.000 0.981 482 Y HN 0.472 nan 8.280 nan 0.000 0.507 483 E N -0.366 119.953 120.200 0.198 0.000 2.085 483 E HA -0.234 4.151 4.350 0.059 0.000 0.194 483 E C 2.258 178.868 176.600 0.017 0.000 0.994 483 E CA 1.061 57.509 56.400 0.080 0.000 0.801 483 E CB -0.362 29.408 29.700 0.116 0.000 0.743 483 E HN 0.543 nan 8.360 nan 0.000 0.453 484 A N 0.835 123.684 122.820 0.048 0.000 2.121 484 A HA -0.011 4.344 4.320 0.059 0.000 0.218 484 A C 2.160 179.750 177.584 0.009 0.000 1.154 484 A CA 1.452 53.507 52.037 0.029 0.000 0.679 484 A CB -0.246 18.780 19.000 0.042 0.000 0.795 484 A HN 0.288 nan 8.150 nan 0.000 0.458 485 A N 0.391 123.207 122.820 -0.007 0.000 1.924 485 A HA 0.015 4.371 4.320 0.059 0.000 0.211 485 A C 1.609 179.127 177.584 -0.109 0.000 1.198 485 A CA 1.206 53.226 52.037 -0.029 0.000 0.657 485 A CB -0.182 18.842 19.000 0.039 0.000 0.852 485 A HN 0.565 nan 8.150 nan 0.000 0.454 486 D N 0.549 120.820 120.400 -0.216 0.000 2.336 486 D HA 0.061 4.736 4.640 0.059 0.000 0.228 486 D C 1.146 177.378 176.300 -0.114 0.000 1.120 486 D CA 0.415 54.289 54.000 -0.209 0.000 0.839 486 D CB -0.195 40.390 40.800 -0.358 0.000 0.932 486 D HN 0.145 nan 8.370 nan 0.000 0.509 487 V N 0.699 120.569 119.914 -0.073 0.000 2.370 487 V HA -0.111 4.044 4.120 0.059 0.000 0.252 487 V C 1.497 177.572 176.094 -0.032 0.000 1.068 487 V CA 1.793 64.070 62.300 -0.037 0.000 1.061 487 V CB -0.782 31.030 31.823 -0.020 0.000 0.656 487 V HN 0.620 nan 8.190 nan 0.000 0.455 488 A N -0.679 122.119 122.820 -0.037 0.000 2.893 488 A HA 0.491 4.846 4.320 0.059 0.000 0.298 488 A C -0.442 177.122 177.584 -0.033 0.000 1.227 488 A CA -0.382 51.638 52.037 -0.029 0.000 0.845 488 A CB 0.332 19.321 19.000 -0.018 0.000 1.430 488 A HN 0.245 nan 8.150 nan 0.000 0.493 489 D N 1.065 121.440 120.400 -0.042 0.000 2.398 489 D HA 0.169 4.844 4.640 0.059 0.000 0.210 489 D C 0.108 176.388 176.300 -0.033 0.000 1.094 489 D CA 0.805 54.780 54.000 -0.042 0.000 0.839 489 D CB 0.393 41.157 40.800 -0.061 0.000 0.963 489 D HN 0.554 nan 8.370 nan 0.000 0.506 490 D N -0.426 119.958 120.400 -0.027 0.000 2.978 490 D HA -0.203 4.473 4.640 0.059 0.000 0.205 490 D C 0.416 176.703 176.300 -0.022 0.000 1.093 490 D CA 0.996 54.983 54.000 -0.021 0.000 1.006 490 D CB -0.957 39.832 40.800 -0.019 0.000 1.116 490 D HN 0.375 nan 8.370 nan 0.000 0.419 491 Q N -1.271 118.513 119.800 -0.026 0.000 2.854 491 Q HA 0.359 4.735 4.340 0.059 0.000 0.331 491 Q C 0.669 176.656 176.000 -0.023 0.000 0.859 491 Q CA -0.867 54.921 55.803 -0.024 0.000 0.787 491 Q CB 1.601 30.322 28.738 -0.028 0.000 1.410 491 Q HN -0.106 nan 8.270 nan 0.000 0.510 492 E N 1.165 121.355 120.200 -0.017 0.000 1.928 492 E HA -0.199 4.186 4.350 0.059 0.000 0.215 492 E C -0.007 176.594 176.600 0.000 0.000 0.964 492 E CA 1.185 57.584 56.400 -0.001 0.000 0.882 492 E CB 0.017 29.718 29.700 0.002 0.000 0.814 492 E HN 0.367 nan 8.360 nan 0.000 0.565 493 E N 1.490 121.693 120.200 0.005 0.000 2.319 493 E HA 0.136 4.521 4.350 0.059 0.000 0.268 493 E C -2.320 174.234 176.600 -0.078 0.000 1.050 493 E CA -2.129 54.276 56.400 0.008 0.000 0.878 493 E CB 0.805 30.544 29.700 0.065 0.000 1.066 493 E HN -0.017 nan 8.360 nan 0.000 0.406 494 P HA 0.019 nan 4.420 nan 0.000 0.272 494 P C -0.444 176.788 177.300 -0.114 0.000 1.223 494 P CA 0.055 63.060 63.100 -0.159 0.000 0.784 494 P CB 1.298 32.854 31.700 -0.239 0.000 0.923 495 A N 1.793 124.566 122.820 -0.079 0.000 1.898 495 A HA 0.017 4.373 4.320 0.059 0.000 0.216 495 A C 1.319 178.867 177.584 -0.060 0.000 1.181 495 A CA 1.938 53.939 52.037 -0.060 0.000 0.620 495 A CB -0.771 18.206 19.000 -0.037 0.000 0.819 495 A HN 0.665 nan 8.150 nan 0.000 0.442 496 T N -3.529 111.003 114.554 -0.035 0.000 2.681 496 T HA 0.578 4.963 4.350 0.059 0.000 0.296 496 T C -1.952 172.821 174.700 0.122 0.000 1.157 496 T CA 0.091 62.204 62.100 0.021 0.000 1.025 496 T CB 1.369 70.271 68.868 0.057 0.000 1.441 496 T HN 1.003 nan 8.240 nan 0.000 0.504 497 Y N -1.360 118.946 120.300 0.011 0.000 2.702 497 Y HA 0.388 4.973 4.550 0.059 0.000 0.336 497 Y C 1.117 177.050 175.900 0.055 0.000 1.203 497 Y CA -1.615 56.501 58.100 0.027 0.000 1.072 497 Y CB -0.445 38.041 38.460 0.042 0.000 1.327 497 Y HN 0.830 nan 8.280 nan 0.000 0.456 498 C N 0.372 119.678 119.300 0.010 0.000 2.400 498 C HA -0.039 4.456 4.460 0.059 0.000 0.291 498 C C 1.761 176.659 174.990 -0.154 0.000 1.372 498 C CA 0.937 59.914 59.018 -0.067 0.000 1.800 498 C CB -1.591 26.113 27.740 -0.060 0.000 1.869 498 C HN 0.689 nan 8.230 nan 0.000 0.533 499 L N 1.285 122.204 121.223 -0.507 0.000 2.591 499 L HA 0.035 4.410 4.340 0.059 0.000 0.228 499 L C 2.523 179.490 176.870 0.162 0.000 1.133 499 L CA 0.343 55.017 54.840 -0.276 0.000 0.880 499 L CB -0.519 41.242 42.059 -0.498 0.000 1.033 499 L HN 0.322 nan 8.230 nan 0.000 0.450 500 S N 0.140 116.025 115.700 0.308 0.000 2.356 500 S HA -0.164 4.341 4.470 0.059 0.000 0.223 500 S C 2.145 176.883 174.600 0.231 0.000 1.032 500 S CA 1.635 60.046 58.200 0.352 0.000 1.005 500 S CB -0.079 63.286 63.200 0.275 0.000 0.867 500 S HN 0.413 nan 8.310 nan 0.000 0.449 501 S N 1.405 117.196 115.700 0.152 0.000 2.440 501 S HA -0.077 4.428 4.470 0.059 0.000 0.240 501 S C 1.400 176.066 174.600 0.111 0.000 1.014 501 S CA 1.234 59.500 58.200 0.109 0.000 0.980 501 S CB -0.188 63.056 63.200 0.074 0.000 0.775 501 S HN 0.682 nan 8.310 nan 0.000 0.499 502 S N -0.671 115.110 115.700 0.134 0.000 3.021 502 S HA 0.329 4.835 4.470 0.059 0.000 0.252 502 S C 0.666 175.325 174.600 0.098 0.000 0.996 502 S CA -0.619 57.640 58.200 0.098 0.000 1.084 502 S CB -0.606 62.636 63.200 0.069 0.000 1.021 502 S HN 0.325 nan 8.310 nan 0.000 0.566 503 F N 2.907 122.885 119.950 0.048 0.000 2.134 503 F HA 0.014 4.576 4.527 0.059 0.000 0.299 503 F C 2.146 177.942 175.800 -0.007 0.000 1.097 503 F CA 1.888 59.916 58.000 0.047 0.000 1.264 503 F CB -0.042 39.030 39.000 0.119 0.000 1.001 503 F HN 0.300 nan 8.300 nan 0.000 0.479 504 E N -0.068 120.189 120.200 0.096 0.000 2.072 504 E HA -0.196 4.189 4.350 0.059 0.000 0.191 504 E C 2.049 178.581 176.600 -0.113 0.000 0.985 504 E CA 1.095 57.491 56.400 -0.006 0.000 0.801 504 E CB -0.343 29.404 29.700 0.077 0.000 0.750 504 E HN 0.384 nan 8.360 nan 0.000 0.452 505 L N 0.768 121.944 121.223 -0.079 0.000 2.042 505 L HA -0.169 4.206 4.340 0.059 0.000 0.210 505 L C 1.887 178.651 176.870 -0.178 0.000 1.076 505 L CA 1.651 56.437 54.840 -0.090 0.000 0.749 505 L CB -0.301 41.736 42.059 -0.037 0.000 0.893 505 L HN 0.206 nan 8.230 nan 0.000 0.432 506 I N -0.939 119.467 120.570 -0.274 0.000 2.179 506 I HA -0.256 3.949 4.170 0.059 0.000 0.242 506 I C 2.429 178.253 176.117 -0.488 0.000 1.088 506 I CA 1.549 62.569 61.300 -0.466 0.000 1.357 506 I CB -0.529 37.100 38.000 -0.619 0.000 1.051 506 I HN 0.330 nan 8.210 nan 0.000 0.409 507 V N -1.490 118.117 119.914 -0.512 0.000 2.515 507 V HA -0.258 3.897 4.120 0.059 0.000 0.250 507 V C 2.208 178.134 176.094 -0.279 0.000 1.058 507 V CA 1.447 63.487 62.300 -0.434 0.000 1.064 507 V CB -1.010 30.529 31.823 -0.474 0.000 0.675 507 V HN 0.398 nan 8.190 nan 0.000 0.461 508 Q N 0.253 119.918 119.800 -0.224 0.000 2.079 508 Q HA -0.160 4.215 4.340 0.059 0.000 0.200 508 Q C 2.356 178.261 176.000 -0.159 0.000 0.974 508 Q CA 2.041 57.752 55.803 -0.154 0.000 0.840 508 Q CB -0.200 28.473 28.738 -0.108 0.000 0.898 508 Q HN 0.578 nan 8.270 nan 0.000 0.430 509 K N 0.331 120.625 120.400 -0.178 0.000 2.057 509 K HA -0.072 4.284 4.320 0.059 0.000 0.206 509 K C 1.705 178.192 176.600 -0.189 0.000 1.050 509 K CA 1.028 57.221 56.287 -0.157 0.000 0.935 509 K CB -0.201 32.215 32.500 -0.140 0.000 0.715 509 K HN 0.148 nan 8.250 nan 0.000 0.439 510 L N 0.072 121.141 121.223 -0.257 0.000 2.046 510 L HA -0.178 4.197 4.340 0.059 0.000 0.208 510 L C 2.193 178.897 176.870 -0.276 0.000 1.077 510 L CA 1.070 55.745 54.840 -0.275 0.000 0.747 510 L CB -0.408 41.456 42.059 -0.323 0.000 0.896 510 L HN 0.176 nan 8.230 nan 0.000 0.432 511 L N -0.608 120.468 121.223 -0.245 0.000 2.083 511 L HA -0.216 4.159 4.340 0.059 0.000 0.209 511 L C 2.549 179.302 176.870 -0.195 0.000 1.083 511 L CA 1.256 55.958 54.840 -0.229 0.000 0.752 511 L CB -0.438 41.527 42.059 -0.158 0.000 0.899 511 L HN 0.310 nan 8.230 nan 0.000 0.433 512 E N -0.449 119.658 120.200 -0.155 0.000 2.051 512 E HA -0.187 4.198 4.350 0.059 0.000 0.192 512 E C 2.093 178.617 176.600 -0.127 0.000 0.991 512 E CA 1.790 58.120 56.400 -0.117 0.000 0.799 512 E CB -0.080 29.565 29.700 -0.091 0.000 0.748 512 E HN 0.418 nan 8.360 nan 0.000 0.449 513 T N 0.420 114.887 114.554 -0.146 0.000 2.737 513 T HA -0.157 4.228 4.350 0.059 0.000 0.269 513 T C 1.935 176.529 174.700 -0.177 0.000 1.040 513 T CA 1.578 63.594 62.100 -0.140 0.000 1.142 513 T CB -0.382 68.399 68.868 -0.144 0.000 0.861 513 T HN 0.149 nan 8.240 nan 0.000 0.456 514 T N 1.566 115.954 114.554 -0.277 0.000 2.881 514 T HA -0.088 4.297 4.350 0.059 0.000 0.270 514 T C 1.104 175.690 174.700 -0.189 0.000 1.068 514 T CA 0.986 62.853 62.100 -0.389 0.000 1.131 514 T CB -0.191 68.219 68.868 -0.764 0.000 0.871 514 T HN 0.397 nan 8.240 nan 0.000 0.479 515 D N 0.630 120.954 120.400 -0.126 0.000 2.402 515 D HA 0.119 4.794 4.640 0.059 0.000 0.216 515 D C 0.459 176.736 176.300 -0.039 0.000 1.128 515 D CA -0.078 53.889 54.000 -0.055 0.000 0.833 515 D CB 0.226 40.999 40.800 -0.045 0.000 0.971 515 D HN 0.311 nan 8.370 nan 0.000 0.503 516 R N 2.068 122.541 120.500 -0.046 0.000 2.522 516 R HA 0.038 4.413 4.340 0.059 0.000 0.284 516 R C -1.104 175.191 176.300 -0.009 0.000 1.032 516 R CA -0.758 55.326 56.100 -0.028 0.000 1.049 516 R CB 0.704 30.986 30.300 -0.030 0.000 0.956 516 R HN 0.000 nan 8.270 nan 0.000 0.422 517 P HA -0.181 nan 4.420 nan 0.000 0.221 517 P C 0.084 177.393 177.300 0.016 0.000 1.145 517 P CA 1.314 64.413 63.100 -0.002 0.000 0.795 517 P CB 0.190 31.884 31.700 -0.009 0.000 0.775 518 D N -0.949 119.461 120.400 0.018 0.000 2.342 518 D HA 0.059 4.734 4.640 0.059 0.000 0.221 518 D C 1.817 178.146 176.300 0.049 0.000 1.101 518 D CA -0.007 54.014 54.000 0.035 0.000 0.837 518 D CB -1.337 39.475 40.800 0.020 0.000 0.938 518 D HN 0.065 nan 8.370 nan 0.000 0.508 519 G N 0.197 109.025 108.800 0.047 0.000 2.564 519 G HA2 -0.333 3.662 3.960 0.059 0.000 0.217 519 G HA3 -0.333 3.662 3.960 0.059 0.000 0.217 519 G C 1.348 176.304 174.900 0.094 0.000 1.120 519 G CA 0.704 45.834 45.100 0.050 0.000 0.752 519 G HN 0.459 nan 8.290 nan 0.000 0.558 520 H N -0.149 118.933 119.070 0.020 0.000 2.548 520 H HA 0.224 4.815 4.556 0.059 0.000 0.268 520 H C 1.163 176.510 175.328 0.031 0.000 0.975 520 H CA 0.199 56.264 56.048 0.029 0.000 1.195 520 H CB 0.160 29.936 29.762 0.025 0.000 1.397 520 H HN 0.363 nan 8.280 nan 0.000 0.572 521 Q N 0.806 120.574 119.800 -0.053 0.000 2.267 521 Q HA 0.156 4.532 4.340 0.059 0.000 0.255 521 Q C -0.019 175.941 176.000 -0.066 0.000 0.923 521 Q CA -0.318 55.432 55.803 -0.087 0.000 0.925 521 Q CB 0.747 29.476 28.738 -0.015 0.000 1.195 521 Q HN 0.405 nan 8.270 nan 0.000 0.417 522 N N 2.583 121.240 118.700 -0.071 0.000 2.735 522 N HA -0.241 4.534 4.740 0.059 0.000 0.248 522 N C -0.829 174.693 175.510 0.021 0.000 1.083 522 N CA 1.040 54.082 53.050 -0.013 0.000 0.703 522 N CB -1.355 37.142 38.487 0.017 0.000 1.005 522 N HN 1.023 nan 8.380 nan 0.000 0.550 523 N N -1.403 117.283 118.700 -0.023 0.000 2.708 523 N HA -0.254 4.521 4.740 0.059 0.000 0.251 523 N C 0.777 176.325 175.510 0.064 0.000 1.017 523 N CA 1.174 54.243 53.050 0.031 0.000 0.742 523 N CB -1.379 37.166 38.487 0.097 0.000 0.943 523 N HN 0.638 nan 8.380 nan 0.000 0.539 524 L N -0.789 120.449 121.223 0.026 0.000 1.976 524 L HA -0.177 4.198 4.340 0.059 0.000 0.209 524 L C 2.760 179.621 176.870 -0.015 0.000 1.071 524 L CA 2.138 56.982 54.840 0.007 0.000 0.746 524 L CB -0.294 41.764 42.059 -0.002 0.000 0.890 524 L HN 0.606 nan 8.230 nan 0.000 0.432 525 R N -0.570 119.942 120.500 0.020 0.000 2.096 525 R HA -0.201 4.174 4.340 0.059 0.000 0.240 525 R C 2.310 178.672 176.300 0.102 0.000 1.139 525 R CA 2.210 58.335 56.100 0.041 0.000 0.952 525 R CB -0.252 30.118 30.300 0.116 0.000 0.854 525 R HN 0.319 nan 8.270 nan 0.000 0.436 526 S N -0.041 115.729 115.700 0.116 0.000 2.359 526 S HA -0.129 4.376 4.470 0.059 0.000 0.224 526 S C 1.978 176.592 174.600 0.023 0.000 1.035 526 S CA 1.639 59.915 58.200 0.126 0.000 1.018 526 S CB -0.175 63.104 63.200 0.132 0.000 0.876 526 S HN 0.425 nan 8.310 nan 0.000 0.448 527 S N 1.728 117.384 115.700 -0.073 0.000 2.368 527 S HA -0.067 4.438 4.470 0.059 0.000 0.225 527 S C 2.272 176.589 174.600 -0.471 0.000 1.030 527 S CA 0.994 58.913 58.200 -0.468 0.000 0.999 527 S CB -0.589 62.320 63.200 -0.485 0.000 0.844 527 S HN 0.608 nan 8.310 nan 0.000 0.459 528 A N 0.572 123.226 122.820 -0.276 0.000 1.908 528 A HA -0.126 4.229 4.320 0.059 0.000 0.218 528 A C 1.948 179.371 177.584 -0.269 0.000 1.181 528 A CA 1.532 53.396 52.037 -0.288 0.000 0.627 528 A CB -0.937 17.890 19.000 -0.288 0.000 0.818 528 A HN 0.517 nan 8.150 nan 0.000 0.445 529 Y N -0.605 119.594 120.300 -0.168 0.000 2.242 529 Y HA -0.089 4.496 4.550 0.058 0.000 0.291 529 Y C 2.507 178.322 175.900 -0.142 0.000 1.137 529 Y CA 1.681 59.702 58.100 -0.132 0.000 1.181 529 Y CB -0.314 38.093 38.460 -0.089 0.000 0.989 529 Y HN 0.380 nan 8.280 nan 0.000 0.527 530 E N -0.688 119.495 120.200 -0.029 0.000 2.106 530 E HA -0.147 4.239 4.350 0.059 0.000 0.192 530 E C 2.498 179.016 176.600 -0.137 0.000 0.984 530 E CA 1.212 57.569 56.400 -0.071 0.000 0.806 530 E CB -0.259 29.377 29.700 -0.107 0.000 0.750 530 E HN 0.183 nan 8.360 nan 0.000 0.458 531 S N -0.739 114.795 115.700 -0.275 0.000 2.387 531 S HA -0.086 4.419 4.470 0.059 0.000 0.226 531 S C 1.791 176.313 174.600 -0.129 0.000 1.026 531 S CA 0.841 58.914 58.200 -0.212 0.000 0.972 531 S CB -0.257 62.776 63.200 -0.278 0.000 0.814 531 S HN 0.294 nan 8.310 nan 0.000 0.477 532 L N 1.563 122.704 121.223 -0.138 0.000 2.056 532 L HA 0.097 4.472 4.340 0.059 0.000 0.207 532 L C 2.275 179.118 176.870 -0.045 0.000 1.078 532 L CA 1.840 56.607 54.840 -0.121 0.000 0.749 532 L CB -0.679 41.309 42.059 -0.119 0.000 0.901 532 L HN 0.371 nan 8.230 nan 0.000 0.433 533 M N -0.982 118.614 119.600 -0.008 0.000 2.080 533 M HA -0.241 4.274 4.480 0.059 0.000 0.260 533 M C 2.198 178.507 176.300 0.015 0.000 1.068 533 M CA 2.034 57.341 55.300 0.012 0.000 1.109 533 M CB -0.357 32.257 32.600 0.023 0.000 1.342 533 M HN 0.229 nan 8.290 nan 0.000 0.405 534 E N 0.588 120.801 120.200 0.020 0.000 2.152 534 E HA -0.149 4.237 4.350 0.059 0.000 0.192 534 E C 1.629 178.262 176.600 0.055 0.000 0.983 534 E CA 0.892 57.317 56.400 0.042 0.000 0.818 534 E CB -0.133 29.612 29.700 0.075 0.000 0.758 534 E HN 0.381 nan 8.360 nan 0.000 0.467 535 I N -0.673 119.922 120.570 0.042 0.000 2.252 535 I HA -0.182 4.023 4.170 0.059 0.000 0.245 535 I C 1.959 178.194 176.117 0.196 0.000 1.102 535 I CA 0.818 62.173 61.300 0.092 0.000 1.385 535 I CB -0.180 37.776 38.000 -0.074 0.000 1.064 535 I HN 0.003 nan 8.210 nan 0.000 0.414 536 V N 1.107 121.097 119.914 0.126 0.000 2.261 536 V HA -0.338 3.817 4.120 0.059 0.000 0.246 536 V C 2.564 178.707 176.094 0.082 0.000 1.047 536 V CA 2.352 64.756 62.300 0.174 0.000 1.015 536 V CB -0.831 31.043 31.823 0.085 0.000 0.642 536 V HN 0.480 nan 8.190 nan 0.000 0.446 537 K N 0.528 120.935 120.400 0.012 0.000 1.987 537 K HA -0.218 4.138 4.320 0.059 0.000 0.216 537 K C 1.252 177.730 176.600 -0.203 0.000 1.051 537 K CA 2.070 58.313 56.287 -0.074 0.000 0.942 537 K CB -0.316 32.141 32.500 -0.072 0.000 0.722 537 K HN 0.423 nan 8.250 nan 0.000 0.444 538 N N 1.874 120.466 118.700 -0.181 0.000 2.906 538 N HA -0.022 4.753 4.740 0.059 0.000 0.282 538 N C -0.812 174.694 175.510 -0.008 0.000 1.293 538 N CA 0.333 53.176 53.050 -0.345 0.000 1.059 538 N CB 0.261 38.713 38.487 -0.058 0.000 1.388 538 N HN 0.263 nan 8.380 nan 0.000 0.533 539 S N -1.137 114.506 115.700 -0.095 0.000 2.593 539 S HA 0.737 5.242 4.470 0.059 0.000 0.297 539 S C 0.242 174.604 174.600 -0.397 0.000 1.112 539 S CA -1.004 57.064 58.200 -0.221 0.000 1.043 539 S CB 2.450 65.517 63.200 -0.221 0.000 1.054 539 S HN 0.229 nan 8.310 nan 0.000 0.516 540 A N 1.710 124.010 122.820 -0.868 0.000 2.346 540 A HA 0.390 4.745 4.320 0.059 0.000 0.252 540 A C 1.445 178.856 177.584 -0.288 0.000 1.089 540 A CA -0.208 51.502 52.037 -0.545 0.000 0.797 540 A CB 0.039 18.692 19.000 -0.578 0.000 1.047 540 A HN 1.088 nan 8.150 nan 0.000 0.494 541 K N 0.418 120.721 120.400 -0.161 0.000 2.063 541 K HA -0.199 4.157 4.320 0.059 0.000 0.208 541 K C 0.687 177.241 176.600 -0.078 0.000 1.048 541 K CA 1.858 58.087 56.287 -0.096 0.000 0.928 541 K CB -0.338 32.109 32.500 -0.088 0.000 0.713 541 K HN 0.713 nan 8.250 nan 0.000 0.442 542 D N 0.463 120.807 120.400 -0.094 0.000 2.390 542 D HA -0.106 4.569 4.640 0.059 0.000 0.235 542 D C 0.653 176.893 176.300 -0.100 0.000 1.040 542 D CA 0.359 54.324 54.000 -0.059 0.000 0.923 542 D CB -0.408 40.373 40.800 -0.032 0.000 0.886 542 D HN 0.339 nan 8.370 nan 0.000 0.532 543 C N -0.805 118.359 119.300 -0.226 0.000 3.038 543 C HA 0.153 4.649 4.460 0.059 0.000 0.279 543 C C 1.779 176.590 174.990 -0.298 0.000 1.276 543 C CA -0.762 57.973 59.018 -0.473 0.000 1.697 543 C CB -1.799 25.217 27.740 -1.207 0.000 2.032 543 C HN 0.279 nan 8.230 nan 0.000 0.636 544 Y N 3.780 123.949 120.300 -0.219 0.000 2.315 544 Y HA -0.119 4.466 4.550 0.058 0.000 0.288 544 Y C -0.123 175.745 175.900 -0.053 0.000 1.154 544 Y CA 1.750 59.779 58.100 -0.118 0.000 1.229 544 Y CB -1.056 37.354 38.460 -0.083 0.000 0.980 544 Y HN 0.334 nan 8.280 nan 0.000 0.540 545 P HA -0.242 nan 4.420 nan 0.000 0.211 545 P C 1.439 178.723 177.300 -0.027 0.000 1.179 545 P CA 2.421 65.524 63.100 0.006 0.000 0.910 545 P CB -0.283 31.441 31.700 0.040 0.000 0.785 546 A N -0.269 122.581 122.820 0.049 0.000 1.986 546 A HA -0.138 4.217 4.320 0.059 0.000 0.220 546 A C 2.502 180.145 177.584 0.099 0.000 1.171 546 A CA 2.013 54.133 52.037 0.138 0.000 0.640 546 A CB -1.762 17.470 19.000 0.387 0.000 0.811 546 A HN 0.112 nan 8.150 nan 0.000 0.451 547 V N -0.329 119.584 119.914 -0.002 0.000 2.515 547 V HA -0.271 3.884 4.120 0.059 0.000 0.250 547 V C 2.567 178.526 176.094 -0.225 0.000 1.058 547 V CA 2.074 64.314 62.300 -0.100 0.000 1.064 547 V CB -0.762 30.914 31.823 -0.246 0.000 0.675 547 V HN 0.653 nan 8.190 nan 0.000 0.461 548 Q N -0.032 119.580 119.800 -0.313 0.000 2.049 548 Q HA -0.168 4.207 4.340 0.059 0.000 0.198 548 Q C 2.350 178.283 176.000 -0.111 0.000 0.971 548 Q CA 1.273 56.927 55.803 -0.248 0.000 0.833 548 Q CB -0.206 28.402 28.738 -0.216 0.000 0.896 548 Q HN 0.606 nan 8.270 nan 0.000 0.434 549 K N 0.195 120.553 120.400 -0.070 0.000 2.044 549 K HA -0.133 4.222 4.320 0.059 0.000 0.210 549 K C 2.212 178.791 176.600 -0.034 0.000 1.049 549 K CA 1.739 58.006 56.287 -0.034 0.000 0.927 549 K CB -0.301 32.191 32.500 -0.013 0.000 0.713 549 K HN 0.123 nan 8.250 nan 0.000 0.443 550 T N 0.849 115.384 114.554 -0.033 0.000 2.746 550 T HA -0.129 4.256 4.350 0.059 0.000 0.267 550 T C 1.946 176.626 174.700 -0.034 0.000 1.039 550 T CA 1.821 63.903 62.100 -0.031 0.000 1.142 550 T CB -0.372 68.485 68.868 -0.018 0.000 0.866 550 T HN 0.298 nan 8.240 nan 0.000 0.444 551 T N 2.485 117.008 114.554 -0.051 0.000 2.788 551 T HA 0.022 4.407 4.350 0.059 0.000 0.268 551 T C 1.946 176.626 174.700 -0.034 0.000 1.044 551 T CA 0.862 62.934 62.100 -0.048 0.000 1.139 551 T CB -0.427 68.398 68.868 -0.072 0.000 0.867 551 T HN 0.292 nan 8.240 nan 0.000 0.454 552 L N 0.697 121.900 121.223 -0.033 0.000 2.083 552 L HA -0.071 4.304 4.340 0.059 0.000 0.209 552 L C 2.636 179.497 176.870 -0.015 0.000 1.083 552 L CA 0.822 55.649 54.840 -0.021 0.000 0.752 552 L CB -0.810 41.238 42.059 -0.018 0.000 0.899 552 L HN 0.151 nan 8.230 nan 0.000 0.433 553 V N -0.045 119.860 119.914 -0.015 0.000 2.407 553 V HA -0.265 3.890 4.120 0.059 0.000 0.248 553 V C 2.462 178.558 176.094 0.003 0.000 1.055 553 V CA 1.322 63.617 62.300 -0.008 0.000 1.049 553 V CB -0.377 31.437 31.823 -0.015 0.000 0.662 553 V HN 0.287 nan 8.190 nan 0.000 0.455 554 I N -0.504 120.067 120.570 0.002 0.000 2.226 554 I HA -0.234 3.971 4.170 0.059 0.000 0.245 554 I C 2.445 178.558 176.117 -0.007 0.000 1.100 554 I CA 1.861 63.166 61.300 0.009 0.000 1.374 554 I CB -0.973 37.026 38.000 -0.001 0.000 1.057 554 I HN 0.318 nan 8.210 nan 0.000 0.413 555 M N 0.011 119.602 119.600 -0.014 0.000 2.117 555 M HA -0.210 4.305 4.480 0.059 0.000 0.262 555 M C 2.170 178.465 176.300 -0.009 0.000 1.065 555 M CA 1.665 56.955 55.300 -0.018 0.000 1.114 555 M CB -0.500 32.089 32.600 -0.018 0.000 1.361 555 M HN 0.223 nan 8.290 nan 0.000 0.408 556 E N 0.293 120.492 120.200 -0.002 0.000 2.033 556 E HA -0.221 4.164 4.350 0.059 0.000 0.199 556 E C 2.074 178.681 176.600 0.011 0.000 1.011 556 E CA 1.363 57.767 56.400 0.005 0.000 0.815 556 E CB -0.234 29.469 29.700 0.006 0.000 0.755 556 E HN 0.508 nan 8.360 nan 0.000 0.451 557 R N 0.365 120.875 120.500 0.017 0.000 2.120 557 R HA -0.142 4.233 4.340 0.059 0.000 0.234 557 R C 2.463 178.769 176.300 0.009 0.000 1.123 557 R CA 0.618 56.734 56.100 0.027 0.000 0.975 557 R CB -0.365 29.966 30.300 0.052 0.000 0.866 557 R HN 0.119 nan 8.270 nan 0.000 0.446 558 L N 1.430 122.648 121.223 -0.010 0.000 2.042 558 L HA -0.239 4.136 4.340 0.059 0.000 0.210 558 L C 2.367 179.230 176.870 -0.012 0.000 1.076 558 L CA 1.860 56.682 54.840 -0.031 0.000 0.749 558 L CB -0.493 41.542 42.059 -0.040 0.000 0.893 558 L HN 0.161 nan 8.230 nan 0.000 0.432 559 Q N -1.863 117.939 119.800 0.003 0.000 2.137 559 Q HA -0.177 4.198 4.340 0.059 0.000 0.198 559 Q C 2.074 178.097 176.000 0.039 0.000 0.960 559 Q CA 0.771 56.585 55.803 0.018 0.000 0.847 559 Q CB -0.027 28.720 28.738 0.015 0.000 0.915 559 Q HN 0.495 nan 8.270 nan 0.000 0.448 560 Q N -0.186 119.639 119.800 0.041 0.000 2.268 560 Q HA -0.162 4.213 4.340 0.059 0.000 0.210 560 Q C 2.038 178.098 176.000 0.101 0.000 0.988 560 Q CA 1.187 57.027 55.803 0.062 0.000 0.883 560 Q CB -0.218 28.556 28.738 0.059 0.000 0.911 560 Q HN 0.311 nan 8.270 nan 0.000 0.430 561 V N 0.735 120.706 119.914 0.095 0.000 2.273 561 V HA -0.220 3.935 4.120 0.059 0.000 0.242 561 V C 2.422 178.655 176.094 0.232 0.000 1.035 561 V CA 1.178 63.576 62.300 0.163 0.000 1.013 561 V CB -0.652 31.174 31.823 0.004 0.000 0.652 561 V HN 0.272 nan 8.190 nan 0.000 0.452 562 L N 0.834 122.134 121.223 0.127 0.000 2.064 562 L HA -0.270 4.105 4.340 0.059 0.000 0.216 562 L C 2.109 179.048 176.870 0.114 0.000 1.077 562 L CA 2.060 56.971 54.840 0.119 0.000 0.766 562 L CB -0.768 41.326 42.059 0.059 0.000 0.890 562 L HN 0.591 nan 8.230 nan 0.000 0.435 563 Q N -0.617 119.238 119.800 0.091 0.000 2.399 563 Q HA 0.166 4.541 4.340 0.059 0.000 0.307 563 Q C 0.519 176.549 176.000 0.051 0.000 0.933 563 Q CA -0.039 55.796 55.803 0.053 0.000 0.995 563 Q CB 0.444 29.205 28.738 0.037 0.000 1.191 563 Q HN 0.284 nan 8.270 nan 0.000 0.426 564 M N 1.541 121.183 119.600 0.069 0.000 2.809 564 M HA 0.118 4.633 4.480 0.059 0.000 0.388 564 M C 0.186 176.309 176.300 -0.294 0.000 1.248 564 M CA 0.083 55.389 55.300 0.011 0.000 0.885 564 M CB 0.740 33.484 32.600 0.241 0.000 1.386 564 M HN 0.393 nan 8.290 nan 0.000 0.509 565 E N -1.777 118.270 120.200 -0.255 0.000 2.476 565 E HA 0.044 4.429 4.350 0.059 0.000 0.191 565 E C 1.199 177.662 176.600 -0.228 0.000 1.064 565 E CA 0.747 56.950 56.400 -0.329 0.000 0.866 565 E CB 0.020 29.607 29.700 -0.189 0.000 0.952 565 E HN 0.498 nan 8.360 nan 0.000 0.492 566 S N 1.150 116.736 115.700 -0.190 0.000 2.303 566 S HA -0.160 4.345 4.470 0.059 0.000 0.207 566 S C 1.922 176.412 174.600 -0.184 0.000 1.025 566 S CA 0.622 58.707 58.200 -0.192 0.000 0.953 566 S CB -0.833 62.223 63.200 -0.240 0.000 0.932 566 S HN 0.303 nan 8.310 nan 0.000 0.472 567 H N 3.057 122.060 119.070 -0.112 0.000 2.492 567 H HA 0.016 4.607 4.556 0.059 0.000 0.296 567 H C 1.038 176.300 175.328 -0.110 0.000 1.095 567 H CA 1.204 57.198 56.048 -0.091 0.000 1.281 567 H CB -0.905 28.819 29.762 -0.063 0.000 1.374 567 H HN 0.641 nan 8.280 nan 0.000 0.545 568 I N 0.687 121.216 120.570 -0.069 0.000 3.115 568 I HA -0.108 4.097 4.170 0.059 0.000 0.298 568 I C 0.859 176.938 176.117 -0.063 0.000 1.162 568 I CA 0.134 61.370 61.300 -0.108 0.000 1.648 568 I CB 0.331 38.195 38.000 -0.226 0.000 1.551 568 I HN 0.007 nan 8.210 nan 0.000 0.764 569 Q N 3.619 123.403 119.800 -0.027 0.000 2.093 569 Q HA 0.147 4.522 4.340 0.059 0.000 0.234 569 Q C 1.021 177.007 176.000 -0.023 0.000 0.988 569 Q CA 0.338 56.129 55.803 -0.021 0.000 0.855 569 Q CB -0.278 28.459 28.738 -0.003 0.000 1.026 569 Q HN 0.797 nan 8.270 nan 0.000 0.506 570 S N 0.199 115.888 115.700 -0.018 0.000 2.576 570 S HA -0.020 4.485 4.470 0.059 0.000 0.272 570 S C 1.169 175.757 174.600 -0.018 0.000 1.352 570 S CA 0.169 58.359 58.200 -0.017 0.000 1.021 570 S CB 0.543 63.732 63.200 -0.017 0.000 0.887 570 S HN 0.370 nan 8.310 nan 0.000 0.542 571 T N 2.701 117.247 114.554 -0.014 0.000 2.803 571 T HA -0.131 4.254 4.350 0.059 0.000 0.269 571 T C 2.065 176.761 174.700 -0.008 0.000 1.052 571 T CA 1.693 63.788 62.100 -0.009 0.000 1.136 571 T CB -0.571 68.294 68.868 -0.005 0.000 0.864 571 T HN 0.830 nan 8.240 nan 0.000 0.467 572 S N 1.644 117.333 115.700 -0.018 0.000 2.474 572 S HA -0.121 4.384 4.470 0.059 0.000 0.235 572 S C 1.360 175.935 174.600 -0.040 0.000 0.997 572 S CA 1.104 59.283 58.200 -0.035 0.000 0.949 572 S CB -0.385 62.777 63.200 -0.062 0.000 0.766 572 S HN 0.423 nan 8.310 nan 0.000 0.517 573 D N 1.567 121.952 120.400 -0.026 0.000 2.149 573 D HA 0.028 4.703 4.640 0.059 0.000 0.201 573 D C 2.069 178.394 176.300 0.042 0.000 0.972 573 D CA 0.805 54.799 54.000 -0.009 0.000 0.835 573 D CB -0.178 40.609 40.800 -0.021 0.000 0.966 573 D HN 0.278 nan 8.370 nan 0.000 0.476 574 R N 0.496 121.016 120.500 0.032 0.000 2.148 574 R HA 0.092 4.467 4.340 0.059 0.000 0.223 574 R C 1.801 178.180 176.300 0.131 0.000 1.088 574 R CA 0.785 56.934 56.100 0.081 0.000 0.985 574 R CB -0.396 29.924 30.300 0.033 0.000 0.880 574 R HN 0.221 nan 8.270 nan 0.000 0.451 575 I N 0.021 120.633 120.570 0.070 0.000 2.235 575 I HA -0.230 3.975 4.170 0.059 0.000 0.241 575 I C 1.995 178.150 176.117 0.063 0.000 1.085 575 I CA 1.251 62.584 61.300 0.056 0.000 1.378 575 I CB -0.309 37.710 38.000 0.033 0.000 1.076 575 I HN 0.259 nan 8.210 nan 0.000 0.415 576 Q N -0.033 119.798 119.800 0.051 0.000 2.291 576 Q HA -0.209 4.166 4.340 0.059 0.000 0.205 576 Q C 2.077 178.132 176.000 0.092 0.000 0.970 576 Q CA 1.401 57.234 55.803 0.050 0.000 0.876 576 Q CB -0.152 28.573 28.738 -0.022 0.000 0.935 576 Q HN 0.453 nan 8.270 nan 0.000 0.455 577 F N 2.085 122.022 119.950 -0.020 0.000 2.163 577 F HA -0.128 4.434 4.527 0.059 0.000 0.297 577 F C 1.720 177.509 175.800 -0.019 0.000 1.094 577 F CA 1.112 59.104 58.000 -0.015 0.000 1.290 577 F CB -0.163 38.830 39.000 -0.012 0.000 1.017 577 F HN -0.004 nan 8.300 nan 0.000 0.483 578 N N 1.068 119.734 118.700 -0.056 0.000 2.069 578 N HA -0.200 4.575 4.740 0.059 0.000 0.191 578 N C 1.404 176.805 175.510 -0.182 0.000 1.031 578 N CA 1.857 54.810 53.050 -0.162 0.000 0.852 578 N CB -0.834 37.637 38.487 -0.027 0.000 1.018 578 N HN 0.326 nan 8.380 nan 0.000 0.423 579 D N 1.296 121.641 120.400 -0.092 0.000 2.126 579 D HA -0.156 4.519 4.640 0.059 0.000 0.190 579 D C 2.053 178.266 176.300 -0.144 0.000 1.001 579 D CA 0.516 54.472 54.000 -0.074 0.000 0.841 579 D CB -0.476 40.326 40.800 0.003 0.000 0.949 579 D HN 0.153 nan 8.370 nan 0.000 0.446 580 L N 0.463 121.584 121.223 -0.170 0.000 2.012 580 L HA -0.281 4.094 4.340 0.059 0.000 0.210 580 L C 2.296 178.975 176.870 -0.320 0.000 1.073 580 L CA 1.580 56.285 54.840 -0.226 0.000 0.748 580 L CB -0.310 41.649 42.059 -0.168 0.000 0.891 580 L HN 0.184 nan 8.230 nan 0.000 0.431 581 Q N -0.713 118.857 119.800 -0.383 0.000 2.062 581 Q HA -0.244 4.131 4.340 0.059 0.000 0.209 581 Q C 2.202 178.052 176.000 -0.250 0.000 0.996 581 Q CA 2.242 57.835 55.803 -0.351 0.000 0.859 581 Q CB -0.264 28.233 28.738 -0.402 0.000 0.920 581 Q HN 0.534 nan 8.270 nan 0.000 0.415 582 S N 1.214 116.788 115.700 -0.211 0.000 2.353 582 S HA -0.145 4.360 4.470 0.059 0.000 0.222 582 S C 2.092 176.574 174.600 -0.198 0.000 1.035 582 S CA 1.114 59.218 58.200 -0.160 0.000 1.025 582 S CB -0.428 62.704 63.200 -0.114 0.000 0.902 582 S HN 0.253 nan 8.310 nan 0.000 0.440 583 L N 1.106 122.166 121.223 -0.272 0.000 2.013 583 L HA -0.181 4.194 4.340 0.059 0.000 0.212 583 L C 2.405 179.002 176.870 -0.454 0.000 1.073 583 L CA 1.274 55.872 54.840 -0.403 0.000 0.753 583 L CB -0.767 40.884 42.059 -0.680 0.000 0.890 583 L HN 0.277 nan 8.230 nan 0.000 0.432 584 L N -1.104 119.844 121.223 -0.459 0.000 2.017 584 L HA -0.266 4.109 4.340 0.059 0.000 0.208 584 L C 2.798 179.551 176.870 -0.195 0.000 1.073 584 L CA 1.385 56.032 54.840 -0.321 0.000 0.745 584 L CB -0.621 41.286 42.059 -0.255 0.000 0.894 584 L HN 0.433 nan 8.230 nan 0.000 0.432 585 C N -0.381 118.815 119.300 -0.172 0.000 2.432 585 C HA -0.174 4.321 4.460 0.059 0.000 0.277 585 C C 3.145 178.071 174.990 -0.107 0.000 1.249 585 C CA 0.682 59.626 59.018 -0.124 0.000 1.725 585 C CB -1.153 26.523 27.740 -0.108 0.000 2.028 585 C HN 0.635 nan 8.230 nan 0.000 0.477 586 A N 0.318 123.071 122.820 -0.112 0.000 1.908 586 A HA -0.209 4.146 4.320 0.059 0.000 0.218 586 A C 2.157 179.700 177.584 -0.069 0.000 1.181 586 A CA 2.589 54.578 52.037 -0.079 0.000 0.627 586 A CB -1.098 17.859 19.000 -0.072 0.000 0.818 586 A HN 0.602 nan 8.150 nan 0.000 0.445 587 T N 0.020 114.519 114.554 -0.092 0.000 2.915 587 T HA 0.010 4.396 4.350 0.059 0.000 0.269 587 T C 1.753 176.425 174.700 -0.046 0.000 1.071 587 T CA 1.061 63.132 62.100 -0.049 0.000 1.132 587 T CB -0.239 68.611 68.868 -0.031 0.000 0.878 587 T HN 0.348 nan 8.240 nan 0.000 0.479 588 L N 0.651 121.834 121.223 -0.067 0.000 2.005 588 L HA -0.122 4.253 4.340 0.059 0.000 0.207 588 L C 2.868 179.703 176.870 -0.058 0.000 1.072 588 L CA 1.395 56.197 54.840 -0.064 0.000 0.744 588 L CB -0.456 41.556 42.059 -0.079 0.000 0.895 588 L HN 0.251 nan 8.230 nan 0.000 0.433 589 Q N -0.358 119.405 119.800 -0.062 0.000 2.242 589 Q HA -0.260 4.115 4.340 0.059 0.000 0.211 589 Q C 1.865 177.840 176.000 -0.042 0.000 0.992 589 Q CA 1.735 57.505 55.803 -0.056 0.000 0.889 589 Q CB -0.201 28.506 28.738 -0.051 0.000 0.913 589 Q HN 0.538 nan 8.270 nan 0.000 0.422 590 N N -0.425 118.255 118.700 -0.033 0.000 2.220 590 N HA -0.092 4.683 4.740 0.059 0.000 0.182 590 N C 2.041 177.539 175.510 -0.020 0.000 1.023 590 N CA 1.536 54.572 53.050 -0.022 0.000 0.856 590 N CB 0.058 38.538 38.487 -0.012 0.000 0.997 590 N HN 0.215 nan 8.380 nan 0.000 0.429 591 V N 0.515 120.415 119.914 -0.023 0.000 2.295 591 V HA -0.156 3.999 4.120 0.059 0.000 0.246 591 V C 2.441 178.523 176.094 -0.020 0.000 1.049 591 V CA 1.285 63.571 62.300 -0.023 0.000 1.024 591 V CB -1.228 30.576 31.823 -0.033 0.000 0.648 591 V HN 0.118 nan 8.190 nan 0.000 0.447 592 L N -0.191 121.013 121.223 -0.031 0.000 2.081 592 L HA -0.162 4.213 4.340 0.059 0.000 0.212 592 L C 2.865 179.721 176.870 -0.023 0.000 1.080 592 L CA 1.950 56.769 54.840 -0.035 0.000 0.754 592 L CB -0.596 41.429 42.059 -0.057 0.000 0.893 592 L HN 0.291 nan 8.230 nan 0.000 0.433 593 R N -0.479 120.009 120.500 -0.019 0.000 2.319 593 R HA -0.043 4.332 4.340 0.059 0.000 0.204 593 R C 1.467 177.774 176.300 0.012 0.000 0.954 593 R CA 0.182 56.276 56.100 -0.010 0.000 1.066 593 R CB 0.114 30.403 30.300 -0.018 0.000 0.991 593 R HN 0.047 nan 8.270 nan 0.000 0.486 594 K N 0.078 120.496 120.400 0.031 0.000 2.450 594 K HA 0.056 4.411 4.320 0.059 0.000 0.206 594 K C 0.030 176.740 176.600 0.185 0.000 1.148 594 K CA 0.064 56.397 56.287 0.077 0.000 1.014 594 K CB 1.021 33.549 32.500 0.048 0.000 0.966 594 K HN 0.026 nan 8.250 nan 0.000 0.566 595 V N 0.545 120.543 119.914 0.140 0.000 2.644 595 V HA 0.418 4.573 4.120 0.059 0.000 0.295 595 V C -0.166 176.035 176.094 0.178 0.000 1.053 595 V CA -0.940 61.495 62.300 0.224 0.000 0.987 595 V CB 1.188 33.072 31.823 0.100 0.000 1.006 595 V HN 0.141 nan 8.190 nan 0.000 0.472 596 Q N 1.756 121.690 119.800 0.224 0.000 2.315 596 Q HA 0.003 4.378 4.340 0.059 0.000 0.289 596 Q C 1.105 177.176 176.000 0.118 0.000 1.044 596 Q CA 0.119 55.983 55.803 0.101 0.000 0.920 596 Q CB 0.248 29.023 28.738 0.062 0.000 1.214 596 Q HN 0.896 nan 8.270 nan 0.000 0.392 597 H N 2.623 121.707 119.070 0.023 0.000 2.518 597 H HA -0.166 4.425 4.556 0.059 0.000 0.294 597 H C 0.931 176.277 175.328 0.031 0.000 1.083 597 H CA 1.857 57.919 56.048 0.025 0.000 1.264 597 H CB 0.567 30.337 29.762 0.013 0.000 1.370 597 H HN 0.661 nan 8.280 nan 0.000 0.560 598 Q N -0.587 119.332 119.800 0.198 0.000 2.204 598 Q HA -0.052 4.323 4.340 0.059 0.000 0.198 598 Q C 1.803 177.860 176.000 0.095 0.000 0.946 598 Q CA 0.715 56.605 55.803 0.146 0.000 0.859 598 Q CB 0.427 29.223 28.738 0.097 0.000 0.946 598 Q HN 0.477 nan 8.270 nan 0.000 0.474 599 D N 0.982 121.438 120.400 0.093 0.000 2.117 599 D HA -0.089 4.586 4.640 0.059 0.000 0.198 599 D C 1.664 177.988 176.300 0.039 0.000 0.982 599 D CA 1.132 55.179 54.000 0.079 0.000 0.828 599 D CB 0.063 40.936 40.800 0.123 0.000 0.967 599 D HN 0.189 nan 8.370 nan 0.000 0.464 600 A N 0.610 123.438 122.820 0.013 0.000 2.178 600 A HA -0.063 4.292 4.320 0.059 0.000 0.218 600 A C 2.248 179.813 177.584 -0.032 0.000 1.157 600 A CA 0.535 52.552 52.037 -0.034 0.000 0.689 600 A CB -0.510 18.432 19.000 -0.096 0.000 0.787 600 A HN 0.191 nan 8.150 nan 0.000 0.465 601 L N -1.607 119.615 121.223 -0.000 0.000 2.270 601 L HA -0.121 4.254 4.340 0.059 0.000 0.210 601 L C 2.561 179.455 176.870 0.040 0.000 1.104 601 L CA 0.880 55.738 54.840 0.030 0.000 0.804 601 L CB -0.217 41.882 42.059 0.066 0.000 0.937 601 L HN 0.451 nan 8.230 nan 0.000 0.450 602 Q N -0.417 119.402 119.800 0.032 0.000 2.269 602 Q HA -0.002 4.373 4.340 0.059 0.000 0.201 602 Q C 2.092 178.104 176.000 0.021 0.000 0.946 602 Q CA 0.951 56.772 55.803 0.030 0.000 0.877 602 Q CB 0.306 29.061 28.738 0.028 0.000 0.963 602 Q HN 0.515 nan 8.270 nan 0.000 0.472 603 I N 0.275 120.851 120.570 0.009 0.000 2.703 603 I HA -0.172 4.033 4.170 0.059 0.000 0.259 603 I C 2.355 178.463 176.117 -0.015 0.000 1.151 603 I CA 0.634 61.930 61.300 -0.007 0.000 1.470 603 I CB -0.349 37.640 38.000 -0.019 0.000 1.112 603 I HN 0.189 nan 8.210 nan 0.000 0.437 604 S N 1.371 117.068 115.700 -0.006 0.000 2.414 604 S HA -0.342 4.163 4.470 0.059 0.000 0.238 604 S C 1.730 176.311 174.600 -0.033 0.000 1.055 604 S CA 2.017 60.208 58.200 -0.015 0.000 1.174 604 S CB -0.903 62.337 63.200 0.066 0.000 1.087 604 S HN 0.403 nan 8.310 nan 0.000 0.428 605 D N 1.346 121.802 120.400 0.093 0.000 2.106 605 D HA -0.092 4.583 4.640 0.059 0.000 0.191 605 D C 2.292 178.613 176.300 0.035 0.000 0.997 605 D CA 1.849 55.937 54.000 0.147 0.000 0.834 605 D CB -0.551 40.344 40.800 0.159 0.000 0.956 605 D HN 0.409 nan 8.370 nan 0.000 0.448 606 V N 1.116 121.039 119.914 0.016 0.000 2.392 606 V HA -0.204 3.952 4.120 0.059 0.000 0.249 606 V C 2.663 178.736 176.094 -0.035 0.000 1.059 606 V CA 1.098 63.397 62.300 -0.002 0.000 1.051 606 V CB -0.584 31.239 31.823 -0.001 0.000 0.658 606 V HN 0.041 nan 8.190 nan 0.000 0.455 607 V N -1.205 118.671 119.914 -0.064 0.000 2.346 607 V HA -0.199 3.957 4.120 0.059 0.000 0.244 607 V C 2.481 178.489 176.094 -0.143 0.000 1.037 607 V CA 1.620 63.864 62.300 -0.094 0.000 1.029 607 V CB -0.542 31.221 31.823 -0.100 0.000 0.663 607 V HN 0.373 nan 8.190 nan 0.000 0.454 608 M N 0.157 119.618 119.600 -0.232 0.000 2.143 608 M HA -0.236 4.279 4.480 0.059 0.000 0.258 608 M C 2.258 178.440 176.300 -0.197 0.000 1.071 608 M CA 2.379 57.465 55.300 -0.357 0.000 1.088 608 M CB -1.215 30.885 32.600 -0.834 0.000 1.360 608 M HN 0.427 nan 8.290 nan 0.000 0.404 609 A N -1.129 121.630 122.820 -0.102 0.000 1.898 609 A HA -0.098 4.257 4.320 0.059 0.000 0.216 609 A C 2.343 179.902 177.584 -0.042 0.000 1.181 609 A CA 1.982 54.001 52.037 -0.031 0.000 0.620 609 A CB -0.717 18.288 19.000 0.009 0.000 0.819 609 A HN 0.521 nan 8.150 nan 0.000 0.442 610 S N 0.049 115.717 115.700 -0.054 0.000 2.382 610 S HA -0.064 4.441 4.470 0.059 0.000 0.228 610 S C 1.701 176.263 174.600 -0.064 0.000 1.027 610 S CA 1.398 59.570 58.200 -0.047 0.000 0.991 610 S CB -0.385 62.785 63.200 -0.049 0.000 0.823 610 S HN 0.502 nan 8.310 nan 0.000 0.469 611 L N 0.363 121.529 121.223 -0.095 0.000 2.313 611 L HA 0.048 4.424 4.340 0.059 0.000 0.214 611 L C 2.155 178.953 176.870 -0.119 0.000 1.119 611 L CA 0.246 55.024 54.840 -0.104 0.000 0.809 611 L CB -0.308 41.665 42.059 -0.144 0.000 0.933 611 L HN 0.243 nan 8.230 nan 0.000 0.449 612 L N 0.191 121.338 121.223 -0.127 0.000 2.023 612 L HA -0.159 4.217 4.340 0.059 0.000 0.205 612 L C 2.765 179.498 176.870 -0.228 0.000 1.073 612 L CA 1.726 56.452 54.840 -0.190 0.000 0.745 612 L CB -0.470 41.563 42.059 -0.043 0.000 0.900 612 L HN 0.125 nan 8.230 nan 0.000 0.435 613 R N -0.976 119.474 120.500 -0.084 0.000 2.115 613 R HA -0.149 4.226 4.340 0.059 0.000 0.226 613 R C 2.290 178.578 176.300 -0.019 0.000 1.100 613 R CA 1.433 57.514 56.100 -0.031 0.000 0.980 613 R CB -0.310 29.995 30.300 0.009 0.000 0.875 613 R HN 0.365 nan 8.270 nan 0.000 0.445 614 M N -0.137 119.453 119.600 -0.017 0.000 2.446 614 M HA -0.142 4.373 4.480 0.059 0.000 0.263 614 M C 1.080 177.404 176.300 0.040 0.000 1.066 614 M CA 1.339 56.645 55.300 0.009 0.000 1.087 614 M CB 0.045 32.638 32.600 -0.011 0.000 1.406 614 M HN 0.232 nan 8.290 nan 0.000 0.459 615 F N 0.236 120.083 119.950 -0.173 0.000 2.274 615 F HA -0.033 4.529 4.527 0.058 0.000 0.288 615 F C 2.101 177.848 175.800 -0.089 0.000 1.069 615 F CA 1.043 58.945 58.000 -0.164 0.000 1.343 615 F CB -0.336 38.482 39.000 -0.302 0.000 1.089 615 F HN 0.117 nan 8.300 nan 0.000 0.517 616 Q N 0.278 120.078 119.800 -0.000 0.000 1.927 616 Q HA -0.247 4.128 4.340 0.059 0.000 0.210 616 Q C 2.378 178.385 176.000 0.011 0.000 1.001 616 Q CA 2.680 58.546 55.803 0.105 0.000 0.862 616 Q CB -0.987 27.860 28.738 0.181 0.000 0.934 616 Q HN 0.484 nan 8.270 nan 0.000 0.420 617 S N 0.491 116.201 115.700 0.016 0.000 2.353 617 S HA -0.115 4.390 4.470 0.059 0.000 0.222 617 S C 1.367 175.954 174.600 -0.022 0.000 1.035 617 S CA 1.423 59.627 58.200 0.008 0.000 1.025 617 S CB -0.818 62.398 63.200 0.027 0.000 0.902 617 S HN 0.238 nan 8.310 nan 0.000 0.440 618 T N 2.339 116.874 114.554 -0.032 0.000 3.781 618 T HA 0.629 5.014 4.350 0.059 0.000 0.286 618 T C 1.095 175.698 174.700 -0.162 0.000 1.277 618 T CA 0.271 62.344 62.100 -0.046 0.000 1.136 618 T CB 0.497 69.366 68.868 0.002 0.000 1.202 618 T HN 0.524 nan 8.240 nan 0.000 0.884 619 A N 2.275 125.003 122.820 -0.153 0.000 1.984 619 A HA 0.458 4.813 4.320 0.059 0.000 0.214 619 A C 1.579 179.068 177.584 -0.159 0.000 1.173 619 A CA 0.119 52.027 52.037 -0.216 0.000 0.673 619 A CB -0.200 18.712 19.000 -0.148 0.000 0.830 619 A HN 0.668 nan 8.150 nan 0.000 0.453 620 G N -0.695 108.049 108.800 -0.095 0.000 2.467 620 G HA2 0.435 4.430 3.960 0.059 0.000 0.257 620 G HA3 0.435 4.430 3.960 0.059 0.000 0.257 620 G C 0.066 174.929 174.900 -0.062 0.000 1.227 620 G CA 0.615 45.675 45.100 -0.067 0.000 0.835 620 G HN 1.215 nan 8.290 nan 0.000 0.556 621 S N -0.205 115.459 115.700 -0.059 0.000 3.373 621 S HA -0.086 4.419 4.470 0.059 0.000 0.728 621 S C 1.398 175.957 174.600 -0.067 0.000 0.612 621 S CA 0.679 58.846 58.200 -0.054 0.000 1.473 621 S CB -1.163 62.018 63.200 -0.033 0.000 0.990 621 S HN 1.929 nan 8.310 nan 0.000 0.936 622 G N 3.521 112.278 108.800 -0.072 0.000 2.511 622 G HA2 0.219 4.214 3.960 0.059 0.000 0.217 622 G HA3 0.219 4.214 3.960 0.059 0.000 0.217 622 G C 1.512 176.383 174.900 -0.049 0.000 1.133 622 G CA 0.859 45.920 45.100 -0.064 0.000 0.792 622 G HN 1.375 nan 8.290 nan 0.000 0.539 623 G N 0.853 109.617 108.800 -0.059 0.000 2.442 623 G HA2 -0.192 3.803 3.960 0.059 0.000 0.219 623 G HA3 -0.192 3.803 3.960 0.059 0.000 0.219 623 G C 1.723 176.599 174.900 -0.039 0.000 1.141 623 G CA 1.331 46.400 45.100 -0.052 0.000 0.763 623 G HN 0.308 nan 8.290 nan 0.000 0.554 624 V N 0.349 120.239 119.914 -0.040 0.000 2.307 624 V HA -0.224 3.931 4.120 0.059 0.000 0.245 624 V C 2.847 178.953 176.094 0.019 0.000 1.045 624 V CA 2.131 64.407 62.300 -0.040 0.000 1.024 624 V CB -0.760 31.027 31.823 -0.060 0.000 0.651 624 V HN 0.404 nan 8.190 nan 0.000 0.449 625 Q N -0.080 119.758 119.800 0.063 0.000 2.112 625 Q HA -0.282 4.093 4.340 0.059 0.000 0.206 625 Q C 2.287 178.377 176.000 0.150 0.000 0.987 625 Q CA 2.087 58.024 55.803 0.223 0.000 0.858 625 Q CB -0.237 28.657 28.738 0.260 0.000 0.905 625 Q HN 0.718 nan 8.270 nan 0.000 0.420 626 E N 0.489 120.726 120.200 0.063 0.000 2.077 626 E HA -0.182 4.203 4.350 0.059 0.000 0.193 626 E C 1.555 178.160 176.600 0.008 0.000 0.989 626 E CA 1.108 57.524 56.400 0.027 0.000 0.800 626 E CB 0.045 29.739 29.700 -0.010 0.000 0.746 626 E HN 0.309 nan 8.360 nan 0.000 0.452 627 D N -0.232 120.164 120.400 -0.007 0.000 2.249 627 D HA 0.011 4.686 4.640 0.059 0.000 0.205 627 D C 1.801 178.080 176.300 -0.035 0.000 0.962 627 D CA 0.712 54.694 54.000 -0.030 0.000 0.860 627 D CB 0.157 40.926 40.800 -0.051 0.000 0.955 627 D HN 0.121 nan 8.370 nan 0.000 0.505 628 A N 0.855 123.671 122.820 -0.006 0.000 1.873 628 A HA -0.079 4.276 4.320 0.059 0.000 0.215 628 A C 2.348 179.908 177.584 -0.040 0.000 1.186 628 A CA 0.710 52.741 52.037 -0.011 0.000 0.616 628 A CB -0.683 18.361 19.000 0.074 0.000 0.823 628 A HN 0.162 nan 8.150 nan 0.000 0.442 629 L N -1.043 120.172 121.223 -0.015 0.000 2.046 629 L HA -0.182 4.193 4.340 0.059 0.000 0.208 629 L C 2.839 179.672 176.870 -0.061 0.000 1.077 629 L CA 1.366 56.184 54.840 -0.035 0.000 0.747 629 L CB -0.484 41.577 42.059 0.003 0.000 0.896 629 L HN 0.416 nan 8.230 nan 0.000 0.432 630 M N -0.751 118.821 119.600 -0.047 0.000 2.213 630 M HA -0.177 4.338 4.480 0.059 0.000 0.263 630 M C 2.465 178.714 176.300 -0.085 0.000 1.062 630 M CA 1.641 56.907 55.300 -0.058 0.000 1.105 630 M CB -0.455 32.121 32.600 -0.039 0.000 1.385 630 M HN 0.331 nan 8.290 nan 0.000 0.417 631 A N -0.132 122.633 122.820 -0.091 0.000 1.873 631 A HA -0.091 4.264 4.320 0.059 0.000 0.215 631 A C 2.211 179.705 177.584 -0.149 0.000 1.186 631 A CA 1.389 53.361 52.037 -0.109 0.000 0.616 631 A CB -0.913 18.024 19.000 -0.105 0.000 0.823 631 A HN 0.276 nan 8.150 nan 0.000 0.442 632 V N 0.146 119.950 119.914 -0.184 0.000 2.332 632 V HA -0.246 3.909 4.120 0.059 0.000 0.248 632 V C 2.816 178.723 176.094 -0.313 0.000 1.055 632 V CA 2.373 64.504 62.300 -0.283 0.000 1.038 632 V CB -0.761 30.834 31.823 -0.379 0.000 0.651 632 V HN 0.576 nan 8.190 nan 0.000 0.450 633 S N -0.333 115.227 115.700 -0.233 0.000 2.356 633 S HA -0.215 4.290 4.470 0.059 0.000 0.223 633 S C 2.069 176.550 174.600 -0.198 0.000 1.032 633 S CA 1.977 60.045 58.200 -0.221 0.000 1.005 633 S CB -0.487 62.630 63.200 -0.138 0.000 0.867 633 S HN 0.705 nan 8.310 nan 0.000 0.449 634 T N 2.439 116.902 114.554 -0.152 0.000 2.759 634 T HA -0.059 4.327 4.350 0.059 0.000 0.269 634 T C 1.718 176.339 174.700 -0.132 0.000 1.042 634 T CA 0.997 63.025 62.100 -0.120 0.000 1.140 634 T CB -0.368 68.443 68.868 -0.095 0.000 0.864 634 T HN 0.113 nan 8.240 nan 0.000 0.455 635 L N 1.055 122.183 121.223 -0.158 0.000 2.023 635 L HA 0.020 4.395 4.340 0.059 0.000 0.205 635 L C 2.547 179.334 176.870 -0.138 0.000 1.073 635 L CA 1.308 56.070 54.840 -0.130 0.000 0.745 635 L CB -0.780 41.204 42.059 -0.124 0.000 0.900 635 L HN 0.069 nan 8.230 nan 0.000 0.435 636 V N -0.185 119.546 119.914 -0.306 0.000 2.324 636 V HA -0.361 3.794 4.120 0.059 0.000 0.250 636 V C 2.473 178.451 176.094 -0.193 0.000 1.060 636 V CA 2.139 64.182 62.300 -0.429 0.000 1.042 636 V CB -0.736 30.655 31.823 -0.720 0.000 0.650 636 V HN 0.515 nan 8.190 nan 0.000 0.450 637 E N -0.321 119.783 120.200 -0.160 0.000 2.077 637 E HA -0.177 4.208 4.350 0.059 0.000 0.193 637 E C 2.192 178.758 176.600 -0.057 0.000 0.989 637 E CA 1.622 57.967 56.400 -0.091 0.000 0.800 637 E CB -0.202 29.450 29.700 -0.080 0.000 0.746 637 E HN 0.521 nan 8.360 nan 0.000 0.452 638 V N 1.452 121.316 119.914 -0.084 0.000 2.239 638 V HA -0.234 3.921 4.120 0.059 0.000 0.242 638 V C 2.381 178.369 176.094 -0.177 0.000 1.038 638 V CA 1.373 63.594 62.300 -0.131 0.000 1.002 638 V CB -0.608 31.119 31.823 -0.160 0.000 0.641 638 V HN 0.232 nan 8.190 nan 0.000 0.449 639 L N -0.148 121.019 121.223 -0.094 0.000 1.971 639 L HA 0.018 4.393 4.340 0.059 0.000 0.215 639 L C 1.657 178.606 176.870 0.132 0.000 1.072 639 L CA 1.797 56.644 54.840 0.011 0.000 0.758 639 L CB -1.219 40.940 42.059 0.167 0.000 0.889 639 L HN 0.663 nan 8.230 nan 0.000 0.433 640 G N -1.327 107.543 108.800 0.117 0.000 2.488 640 G HA2 -0.261 3.734 3.960 0.059 0.000 0.237 640 G HA3 -0.261 3.734 3.960 0.059 0.000 0.237 640 G C 0.678 175.667 174.900 0.148 0.000 1.209 640 G CA -0.078 45.094 45.100 0.121 0.000 0.929 640 G HN 0.393 nan 8.290 nan 0.000 0.578 641 G N -0.120 108.755 108.800 0.125 0.000 2.499 641 G HA2 -0.031 3.964 3.960 0.059 0.000 0.221 641 G HA3 -0.031 3.964 3.960 0.059 0.000 0.221 641 G C 1.373 176.356 174.900 0.139 0.000 1.109 641 G CA 1.773 46.947 45.100 0.123 0.000 0.749 641 G HN 0.849 nan 8.290 nan 0.000 0.568 642 E N -0.563 119.725 120.200 0.146 0.000 2.204 642 E HA -0.124 4.261 4.350 0.059 0.000 0.195 642 E C 1.902 178.579 176.600 0.129 0.000 0.990 642 E CA 0.401 56.872 56.400 0.118 0.000 0.821 642 E CB -0.234 29.544 29.700 0.131 0.000 0.750 642 E HN 0.529 nan 8.360 nan 0.000 0.477 643 F N 1.419 121.417 119.950 0.080 0.000 2.287 643 F HA -0.221 4.341 4.527 0.059 0.000 0.301 643 F C 1.952 177.817 175.800 0.108 0.000 1.069 643 F CA 0.661 58.748 58.000 0.146 0.000 1.372 643 F CB -0.034 39.005 39.000 0.066 0.000 1.056 643 F HN 0.021 nan 8.300 nan 0.000 0.523 644 L N 1.228 122.512 121.223 0.101 0.000 2.151 644 L HA -0.302 4.073 4.340 0.059 0.000 0.215 644 L C 2.180 178.965 176.870 -0.141 0.000 1.084 644 L CA 1.916 56.773 54.840 0.029 0.000 0.764 644 L CB -0.821 41.286 42.059 0.080 0.000 0.891 644 L HN 0.142 nan 8.230 nan 0.000 0.435 645 K N -1.612 118.602 120.400 -0.311 0.000 2.160 645 K HA -0.221 4.134 4.320 0.059 0.000 0.206 645 K C 1.744 178.012 176.600 -0.554 0.000 1.047 645 K CA 2.096 58.098 56.287 -0.476 0.000 0.930 645 K CB -0.389 31.679 32.500 -0.720 0.000 0.720 645 K HN 0.462 nan 8.250 nan 0.000 0.450 646 Y N -0.732 119.319 120.300 -0.415 0.000 2.503 646 Y HA 0.100 4.685 4.550 0.059 0.000 0.277 646 Y C 2.165 177.954 175.900 -0.185 0.000 1.102 646 Y CA -0.253 57.623 58.100 -0.374 0.000 1.261 646 Y CB -0.178 37.889 38.460 -0.654 0.000 1.096 646 Y HN -0.138 nan 8.280 nan 0.000 0.546 647 M N 1.297 120.859 119.600 -0.064 0.000 2.128 647 M HA -0.328 4.187 4.480 0.059 0.000 0.253 647 M C 2.133 178.526 176.300 0.156 0.000 1.079 647 M CA 1.858 57.186 55.300 0.047 0.000 1.082 647 M CB -0.388 32.074 32.600 -0.231 0.000 1.335 647 M HN 0.409 nan 8.290 nan 0.000 0.401 648 E N -1.212 119.104 120.200 0.195 0.000 2.110 648 E HA -0.182 4.203 4.350 0.059 0.000 0.193 648 E C 1.669 178.373 176.600 0.173 0.000 0.988 648 E CA 1.378 57.914 56.400 0.228 0.000 0.804 648 E CB -0.112 29.683 29.700 0.157 0.000 0.745 648 E HN 0.612 nan 8.360 nan 0.000 0.458 649 A N -0.216 122.714 122.820 0.182 0.000 2.081 649 A HA 0.009 4.364 4.320 0.059 0.000 0.214 649 A C 1.606 179.364 177.584 0.290 0.000 1.158 649 A CA 0.121 52.279 52.037 0.201 0.000 0.724 649 A CB -0.303 18.831 19.000 0.222 0.000 0.826 649 A HN 0.439 nan 8.150 nan 0.000 0.463 650 F N 0.589 120.644 119.950 0.176 0.000 2.776 650 F HA 0.215 4.777 4.527 0.058 0.000 0.300 650 F C 1.715 177.591 175.800 0.126 0.000 1.116 650 F CA 0.289 58.445 58.000 0.261 0.000 1.375 650 F CB 0.007 39.150 39.000 0.238 0.000 1.109 650 F HN 0.056 nan 8.300 nan 0.000 0.585 651 K N 1.252 121.650 120.400 -0.003 0.000 2.034 651 K HA -0.180 4.175 4.320 0.059 0.000 0.214 651 K C -0.418 176.035 176.600 -0.246 0.000 1.051 651 K CA 2.138 58.379 56.287 -0.077 0.000 0.931 651 K CB -1.719 30.834 32.500 0.088 0.000 0.715 651 K HN 0.289 nan 8.250 nan 0.000 0.446 652 P HA -0.175 nan 4.420 nan 0.000 0.215 652 P C 1.225 178.269 177.300 -0.428 0.000 1.153 652 P CA 1.587 64.440 63.100 -0.411 0.000 0.853 652 P CB -0.119 31.238 31.700 -0.570 0.000 0.788 653 F N -0.413 119.359 119.950 -0.296 0.000 2.234 653 F HA -0.063 4.500 4.527 0.059 0.000 0.299 653 F C 2.482 177.906 175.800 -0.628 0.000 1.087 653 F CA 0.565 58.324 58.000 -0.403 0.000 1.340 653 F CB -1.788 36.855 39.000 -0.595 0.000 1.031 653 F HN -0.155 nan 8.300 nan 0.000 0.500 654 L N 0.612 121.393 121.223 -0.736 0.000 2.046 654 L HA 0.023 4.398 4.340 0.059 0.000 0.208 654 L C 2.375 179.142 176.870 -0.171 0.000 1.077 654 L CA 2.077 56.625 54.840 -0.487 0.000 0.747 654 L CB -1.498 40.335 42.059 -0.378 0.000 0.896 654 L HN 0.127 nan 8.230 nan 0.000 0.432 655 G N -0.023 108.697 108.800 -0.133 0.000 2.484 655 G HA2 -0.266 3.730 3.960 0.059 0.000 0.215 655 G HA3 -0.266 3.730 3.960 0.059 0.000 0.215 655 G C 1.647 176.563 174.900 0.027 0.000 1.219 655 G CA 1.194 46.274 45.100 -0.033 0.000 0.791 655 G HN 0.468 nan 8.290 nan 0.000 0.550 656 I N 1.534 122.140 120.570 0.059 0.000 2.121 656 I HA -0.284 3.921 4.170 0.059 0.000 0.243 656 I C 3.086 179.314 176.117 0.184 0.000 1.047 656 I CA 1.447 62.840 61.300 0.155 0.000 1.308 656 I CB -0.774 37.414 38.000 0.314 0.000 1.015 656 I HN 0.276 nan 8.210 nan 0.000 0.410 657 G N 0.898 109.819 108.800 0.201 0.000 2.469 657 G HA2 -0.229 3.766 3.960 0.059 0.000 0.219 657 G HA3 -0.229 3.766 3.960 0.059 0.000 0.219 657 G C 1.684 176.657 174.900 0.122 0.000 1.150 657 G CA 0.801 46.011 45.100 0.184 0.000 0.763 657 G HN 0.335 nan 8.290 nan 0.000 0.561 658 L N -0.474 120.801 121.223 0.086 0.000 2.217 658 L HA 0.054 4.429 4.340 0.059 0.000 0.211 658 L C 2.904 179.847 176.870 0.122 0.000 1.107 658 L CA 0.829 55.720 54.840 0.085 0.000 0.783 658 L CB -0.156 41.935 42.059 0.054 0.000 0.919 658 L HN 0.199 nan 8.230 nan 0.000 0.442 659 K N -0.343 120.134 120.400 0.129 0.000 2.076 659 K HA -0.126 4.229 4.320 0.059 0.000 0.204 659 K C 1.807 178.552 176.600 0.241 0.000 1.051 659 K CA 0.665 57.057 56.287 0.175 0.000 0.949 659 K CB -0.229 32.349 32.500 0.131 0.000 0.726 659 K HN 0.210 nan 8.250 nan 0.000 0.443 660 N N 1.764 120.546 118.700 0.137 0.000 2.139 660 N HA -0.384 4.391 4.740 0.059 0.000 0.193 660 N C 1.242 176.725 175.510 -0.044 0.000 0.975 660 N CA 2.947 56.016 53.050 0.032 0.000 0.893 660 N CB -0.427 38.088 38.487 0.046 0.000 1.073 660 N HN 0.420 nan 8.380 nan 0.000 0.661 661 Y N -3.020 117.316 120.300 0.061 0.000 4.506 661 Y HA -0.386 4.199 4.550 0.058 0.000 0.297 661 Y C 1.311 177.260 175.900 0.082 0.000 1.022 661 Y CA 2.111 60.255 58.100 0.075 0.000 2.099 661 Y CB -2.010 36.487 38.460 0.062 0.000 1.169 661 Y HN 0.242 nan 8.280 nan 0.000 0.483 662 A N 0.571 123.177 122.820 -0.357 0.000 2.072 662 A HA 0.132 4.487 4.320 0.059 0.000 0.216 662 A C 1.076 178.606 177.584 -0.090 0.000 1.156 662 A CA 0.919 52.782 52.037 -0.290 0.000 0.701 662 A CB -0.181 18.582 19.000 -0.394 0.000 0.816 662 A HN 0.685 nan 8.150 nan 0.000 0.458 663 E N 0.226 120.382 120.200 -0.074 0.000 2.916 663 E HA 0.218 4.603 4.350 0.059 0.000 0.217 663 E C 0.036 176.569 176.600 -0.113 0.000 1.100 663 E CA -0.644 55.679 56.400 -0.129 0.000 0.891 663 E CB 0.173 29.785 29.700 -0.147 0.000 1.311 663 E HN 0.634 nan 8.360 nan 0.000 0.421 664 Y N 1.005 121.329 120.300 0.040 0.000 2.144 664 Y HA -0.400 4.185 4.550 0.058 0.000 0.277 664 Y C 1.767 177.720 175.900 0.089 0.000 1.229 664 Y CA 1.796 59.959 58.100 0.105 0.000 1.144 664 Y CB -0.552 38.012 38.460 0.173 0.000 0.953 664 Y HN 0.299 nan 8.280 nan 0.000 0.515 665 Q N 0.048 119.604 119.800 -0.406 0.000 2.297 665 Q HA -0.053 4.322 4.340 0.059 0.000 0.204 665 Q C 2.239 178.212 176.000 -0.044 0.000 0.962 665 Q CA 1.440 57.148 55.803 -0.157 0.000 0.879 665 Q CB 0.008 28.551 28.738 -0.324 0.000 0.947 665 Q HN 0.580 nan 8.270 nan 0.000 0.462 666 V N -0.773 119.109 119.914 -0.053 0.000 2.591 666 V HA -0.202 3.953 4.120 0.059 0.000 0.249 666 V C 2.091 178.228 176.094 0.071 0.000 1.053 666 V CA 0.993 63.307 62.300 0.024 0.000 1.068 666 V CB -0.167 31.675 31.823 0.032 0.000 0.689 666 V HN 0.460 nan 8.190 nan 0.000 0.462 667 C N -0.342 119.008 119.300 0.084 0.000 2.475 667 C HA 0.089 4.585 4.460 0.059 0.000 0.279 667 C C 2.517 177.564 174.990 0.095 0.000 1.322 667 C CA 0.373 59.456 59.018 0.108 0.000 1.734 667 C CB -0.883 26.946 27.740 0.148 0.000 2.005 667 C HN 0.538 nan 8.230 nan 0.000 0.495 668 L N 0.628 121.920 121.223 0.114 0.000 2.275 668 L HA -0.057 4.319 4.340 0.059 0.000 0.215 668 L C 2.757 179.663 176.870 0.061 0.000 1.119 668 L CA 1.380 56.280 54.840 0.101 0.000 0.790 668 L CB -0.626 41.524 42.059 0.152 0.000 0.919 668 L HN 0.426 nan 8.230 nan 0.000 0.443 669 A N -0.172 122.681 122.820 0.055 0.000 1.935 669 A HA 0.038 4.393 4.320 0.059 0.000 0.214 669 A C 2.527 180.128 177.584 0.028 0.000 1.178 669 A CA 1.151 53.208 52.037 0.033 0.000 0.640 669 A CB -0.349 18.671 19.000 0.033 0.000 0.825 669 A HN 0.337 nan 8.150 nan 0.000 0.447 670 A N -0.224 122.622 122.820 0.043 0.000 1.845 670 A HA -0.039 4.316 4.320 0.059 0.000 0.215 670 A C 2.184 179.782 177.584 0.022 0.000 1.195 670 A CA 1.868 53.927 52.037 0.038 0.000 0.616 670 A CB -1.142 17.887 19.000 0.050 0.000 0.832 670 A HN 0.400 nan 8.150 nan 0.000 0.443 671 V N 0.120 120.044 119.914 0.017 0.000 2.380 671 V HA -0.231 3.924 4.120 0.059 0.000 0.251 671 V C 2.770 178.854 176.094 -0.017 0.000 1.063 671 V CA 2.070 64.364 62.300 -0.010 0.000 1.055 671 V CB -1.453 30.354 31.823 -0.026 0.000 0.657 671 V HN 0.653 nan 8.190 nan 0.000 0.455 672 G N -1.033 107.762 108.800 -0.008 0.000 2.432 672 G HA2 -0.206 3.789 3.960 0.059 0.000 0.219 672 G HA3 -0.206 3.789 3.960 0.059 0.000 0.219 672 G C 1.626 176.507 174.900 -0.032 0.000 1.135 672 G CA 0.771 45.861 45.100 -0.018 0.000 0.767 672 G HN 0.463 nan 8.290 nan 0.000 0.550 673 L N 0.240 121.448 121.223 -0.025 0.000 2.109 673 L HA -0.019 4.356 4.340 0.059 0.000 0.207 673 L C 2.958 179.804 176.870 -0.040 0.000 1.086 673 L CA 0.463 55.277 54.840 -0.044 0.000 0.760 673 L CB -0.141 41.917 42.059 -0.003 0.000 0.910 673 L HN 0.112 nan 8.230 nan 0.000 0.437 674 V N 0.149 120.057 119.914 -0.010 0.000 2.252 674 V HA -0.307 3.848 4.120 0.059 0.000 0.249 674 V C 2.617 178.703 176.094 -0.013 0.000 1.056 674 V CA 2.174 64.475 62.300 0.001 0.000 1.022 674 V CB -1.404 30.426 31.823 0.011 0.000 0.641 674 V HN 0.643 nan 8.190 nan 0.000 0.445 675 G N -0.564 108.224 108.800 -0.021 0.000 2.442 675 G HA2 -0.269 3.726 3.960 0.059 0.000 0.219 675 G HA3 -0.269 3.726 3.960 0.059 0.000 0.219 675 G C 1.261 176.138 174.900 -0.039 0.000 1.141 675 G CA 1.112 46.198 45.100 -0.023 0.000 0.763 675 G HN 0.541 nan 8.290 nan 0.000 0.554 676 D N 0.502 120.862 120.400 -0.065 0.000 2.117 676 D HA -0.042 4.633 4.640 0.059 0.000 0.198 676 D C 2.644 178.881 176.300 -0.106 0.000 0.982 676 D CA 0.343 54.288 54.000 -0.093 0.000 0.828 676 D CB -0.244 40.476 40.800 -0.134 0.000 0.967 676 D HN 0.269 nan 8.370 nan 0.000 0.464 677 L N 0.605 121.756 121.223 -0.120 0.000 2.129 677 L HA -0.209 4.166 4.340 0.059 0.000 0.212 677 L C 2.571 179.423 176.870 -0.030 0.000 1.087 677 L CA 0.732 55.506 54.840 -0.111 0.000 0.757 677 L CB -0.281 41.724 42.059 -0.090 0.000 0.896 677 L HN 0.159 nan 8.230 nan 0.000 0.434 678 C N -0.506 118.789 119.300 -0.009 0.000 2.476 678 C HA -0.092 4.403 4.460 0.059 0.000 0.278 678 C C 2.790 177.788 174.990 0.013 0.000 1.274 678 C CA 0.371 59.403 59.018 0.022 0.000 1.713 678 C CB -0.823 26.933 27.740 0.027 0.000 2.039 678 C HN 0.453 nan 8.230 nan 0.000 0.484 679 R N 1.022 121.517 120.500 -0.008 0.000 2.189 679 R HA -0.031 4.344 4.340 0.059 0.000 0.223 679 R C 2.095 178.395 176.300 -0.001 0.000 1.092 679 R CA 1.344 57.439 56.100 -0.008 0.000 0.989 679 R CB -0.286 30.001 30.300 -0.020 0.000 0.876 679 R HN 0.581 nan 8.270 nan 0.000 0.457 680 A N 1.125 123.940 122.820 -0.008 0.000 1.859 680 A HA 0.043 4.399 4.320 0.059 0.000 0.212 680 A C 2.077 179.689 177.584 0.047 0.000 1.238 680 A CA 0.396 52.438 52.037 0.008 0.000 0.613 680 A CB -0.380 18.600 19.000 -0.033 0.000 0.904 680 A HN 0.092 nan 8.150 nan 0.000 0.457 681 L N -1.476 119.782 121.223 0.058 0.000 2.156 681 L HA -0.123 4.252 4.340 0.059 0.000 0.208 681 L C 1.112 178.038 176.870 0.093 0.000 1.095 681 L CA 0.763 55.661 54.840 0.096 0.000 0.770 681 L CB -0.623 41.506 42.059 0.117 0.000 0.914 681 L HN 0.503 nan 8.230 nan 0.000 0.439 682 Q N -0.674 119.171 119.800 0.076 0.000 1.097 682 Q HA -0.305 4.070 4.340 0.059 0.000 0.315 682 Q C 1.480 177.539 176.000 0.098 0.000 1.024 682 Q CA 1.558 57.404 55.803 0.072 0.000 0.655 682 Q CB -1.369 27.406 28.738 0.061 0.000 4.546 682 Q HN 0.440 nan 8.270 nan 0.000 0.464 683 S N 0.672 116.427 115.700 0.091 0.000 2.440 683 S HA -0.113 4.393 4.470 0.059 0.000 0.238 683 S C 1.124 175.802 174.600 0.130 0.000 1.010 683 S CA 1.621 59.883 58.200 0.105 0.000 0.972 683 S CB -0.265 62.985 63.200 0.083 0.000 0.774 683 S HN 0.453 nan 8.310 nan 0.000 0.501 684 N N 1.155 119.937 118.700 0.138 0.000 2.609 684 N HA 0.081 4.857 4.740 0.059 0.000 0.190 684 N C 1.158 176.842 175.510 0.291 0.000 1.157 684 N CA 0.735 53.893 53.050 0.179 0.000 0.918 684 N CB -0.201 38.385 38.487 0.165 0.000 0.978 684 N HN 0.571 nan 8.380 nan 0.000 0.448 685 I N 0.434 121.169 120.570 0.275 0.000 3.883 685 I HA 0.078 4.283 4.170 0.059 0.000 0.326 685 I C 1.509 177.851 176.117 0.376 0.000 1.283 685 I CA -0.014 61.530 61.300 0.407 0.000 1.161 685 I CB 0.158 38.307 38.000 0.248 0.000 1.012 685 I HN -0.049 nan 8.210 nan 0.000 0.421 686 I N 2.927 123.637 120.570 0.232 0.000 2.118 686 I HA -0.199 4.006 4.170 0.059 0.000 0.241 686 I C -0.254 175.917 176.117 0.091 0.000 1.070 686 I CA 1.511 62.909 61.300 0.164 0.000 1.327 686 I CB -1.886 36.183 38.000 0.115 0.000 1.034 686 I HN 0.247 nan 8.210 nan 0.000 0.405 687 P HA -0.188 nan 4.420 nan 0.000 0.218 687 P C 1.372 178.478 177.300 -0.323 0.000 1.148 687 P CA 1.835 64.761 63.100 -0.289 0.000 0.822 687 P CB -0.255 31.115 31.700 -0.549 0.000 0.784 688 F N -1.312 118.689 119.950 0.085 0.000 2.797 688 F HA 0.084 4.647 4.527 0.059 0.000 0.302 688 F C 2.439 178.283 175.800 0.074 0.000 1.130 688 F CA -0.108 57.939 58.000 0.078 0.000 1.387 688 F CB -1.545 37.510 39.000 0.091 0.000 1.107 688 F HN -0.029 nan 8.300 nan 0.000 0.577 689 C N 0.149 119.583 119.300 0.224 0.000 2.446 689 C HA -0.159 4.336 4.460 0.059 0.000 0.277 689 C C 2.633 177.683 174.990 0.101 0.000 1.275 689 C CA 0.830 59.942 59.018 0.157 0.000 1.727 689 C CB -0.628 27.226 27.740 0.189 0.000 2.010 689 C HN 0.452 nan 8.230 nan 0.000 0.486 690 D N 0.464 120.958 120.400 0.156 0.000 2.116 690 D HA -0.160 4.516 4.640 0.059 0.000 0.193 690 D C 2.041 178.396 176.300 0.092 0.000 0.998 690 D CA 1.638 55.734 54.000 0.159 0.000 0.836 690 D CB -0.362 40.511 40.800 0.122 0.000 0.951 690 D HN 0.493 nan 8.370 nan 0.000 0.449 691 E N 0.592 120.844 120.200 0.087 0.000 2.012 691 E HA -0.136 4.249 4.350 0.059 0.000 0.197 691 E C 2.237 178.876 176.600 0.065 0.000 1.007 691 E CA 0.788 57.233 56.400 0.074 0.000 0.816 691 E CB -0.447 29.308 29.700 0.092 0.000 0.762 691 E HN -0.000 nan 8.360 nan 0.000 0.451 692 V N 0.614 120.574 119.914 0.076 0.000 2.252 692 V HA -0.330 3.825 4.120 0.059 0.000 0.249 692 V C 2.469 178.588 176.094 0.043 0.000 1.056 692 V CA 2.064 64.400 62.300 0.061 0.000 1.022 692 V CB -0.523 31.346 31.823 0.077 0.000 0.641 692 V HN 0.385 nan 8.190 nan 0.000 0.445 693 M N -0.681 118.908 119.600 -0.020 0.000 2.108 693 M HA -0.227 4.288 4.480 0.059 0.000 0.261 693 M C 2.231 178.538 176.300 0.012 0.000 1.066 693 M CA 1.769 57.021 55.300 -0.079 0.000 1.107 693 M CB -1.267 31.035 32.600 -0.496 0.000 1.356 693 M HN 0.507 nan 8.290 nan 0.000 0.406 694 Q N 0.264 120.081 119.800 0.029 0.000 2.020 694 Q HA -0.169 4.207 4.340 0.059 0.000 0.202 694 Q C 2.143 178.171 176.000 0.047 0.000 0.982 694 Q CA 1.399 57.229 55.803 0.046 0.000 0.838 694 Q CB -0.084 28.682 28.738 0.048 0.000 0.899 694 Q HN 0.475 nan 8.270 nan 0.000 0.423 695 L N 0.424 121.675 121.223 0.047 0.000 2.083 695 L HA -0.211 4.165 4.340 0.059 0.000 0.209 695 L C 2.449 179.348 176.870 0.047 0.000 1.083 695 L CA 0.814 55.681 54.840 0.046 0.000 0.752 695 L CB -0.322 41.765 42.059 0.047 0.000 0.899 695 L HN 0.348 nan 8.230 nan 0.000 0.433 696 L N -0.731 120.532 121.223 0.067 0.000 2.093 696 L HA -0.218 4.157 4.340 0.059 0.000 0.208 696 L C 2.462 179.396 176.870 0.107 0.000 1.085 696 L CA 1.047 55.928 54.840 0.069 0.000 0.755 696 L CB -0.387 41.738 42.059 0.110 0.000 0.904 696 L HN 0.279 nan 8.230 nan 0.000 0.435 697 L N -0.528 120.779 121.223 0.140 0.000 2.093 697 L HA -0.179 4.196 4.340 0.059 0.000 0.208 697 L C 2.479 179.378 176.870 0.049 0.000 1.085 697 L CA 1.165 56.077 54.840 0.120 0.000 0.755 697 L CB -0.435 41.673 42.059 0.081 0.000 0.904 697 L HN 0.293 nan 8.230 nan 0.000 0.435 698 E N 0.034 120.249 120.200 0.025 0.000 2.072 698 E HA -0.223 4.162 4.350 0.059 0.000 0.191 698 E C 1.827 178.394 176.600 -0.055 0.000 0.985 698 E CA 1.241 57.633 56.400 -0.015 0.000 0.801 698 E CB -0.123 29.570 29.700 -0.012 0.000 0.750 698 E HN 0.407 nan 8.360 nan 0.000 0.452 699 N N 0.546 119.223 118.700 -0.039 0.000 2.149 699 N HA -0.136 4.639 4.740 0.059 0.000 0.188 699 N C 1.703 177.175 175.510 -0.062 0.000 1.019 699 N CA 0.841 53.850 53.050 -0.068 0.000 0.857 699 N CB 0.037 38.515 38.487 -0.014 0.000 0.997 699 N HN 0.059 nan 8.380 nan 0.000 0.426 700 L N -1.162 120.049 121.223 -0.021 0.000 2.072 700 L HA 0.032 4.407 4.340 0.059 0.000 0.205 700 L C 1.625 178.484 176.870 -0.019 0.000 1.079 700 L CA 0.898 55.734 54.840 -0.007 0.000 0.752 700 L CB -0.458 41.624 42.059 0.039 0.000 0.906 700 L HN 0.216 nan 8.230 nan 0.000 0.436 701 G N -0.150 108.635 108.800 -0.024 0.000 3.530 701 G HA2 -0.055 3.940 3.960 0.059 0.000 0.269 701 G HA3 -0.055 3.940 3.960 0.059 0.000 0.269 701 G C 0.160 175.020 174.900 -0.066 0.000 1.314 701 G CA -0.042 45.039 45.100 -0.032 0.000 1.441 701 G HN 0.207 nan 8.290 nan 0.000 0.595 702 N N 0.528 119.171 118.700 -0.095 0.000 2.716 702 N HA 0.014 4.789 4.740 0.059 0.000 0.245 702 N C 0.610 176.054 175.510 -0.109 0.000 1.495 702 N CA -0.330 52.628 53.050 -0.153 0.000 0.759 702 N CB 0.790 39.080 38.487 -0.327 0.000 1.261 702 N HN 0.347 nan 8.380 nan 0.000 0.515 703 E N 0.654 120.823 120.200 -0.052 0.000 2.444 703 E HA -0.161 4.224 4.350 0.059 0.000 0.204 703 E C 0.515 177.117 176.600 0.003 0.000 1.049 703 E CA 1.002 57.391 56.400 -0.019 0.000 0.872 703 E CB 0.296 29.992 29.700 -0.007 0.000 0.791 703 E HN 0.447 nan 8.360 nan 0.000 0.548 704 N N -0.021 118.682 118.700 0.005 0.000 2.354 704 N HA -0.058 4.718 4.740 0.059 0.000 0.179 704 N C 0.428 176.026 175.510 0.147 0.000 1.021 704 N CA 0.347 53.445 53.050 0.079 0.000 0.887 704 N CB 0.033 38.599 38.487 0.131 0.000 0.974 704 N HN -0.029 nan 8.380 nan 0.000 0.437 705 V N 2.236 122.219 119.914 0.115 0.000 2.901 705 V HA -0.120 4.035 4.120 0.059 0.000 0.307 705 V C 0.764 176.968 176.094 0.184 0.000 1.084 705 V CA -0.258 62.169 62.300 0.212 0.000 1.184 705 V CB -0.036 31.854 31.823 0.110 0.000 0.941 705 V HN 0.348 nan 8.190 nan 0.000 0.493 706 H N 4.576 123.717 119.070 0.119 0.000 3.070 706 H HA 0.031 4.622 4.556 0.058 0.000 0.313 706 H C 1.568 176.888 175.328 -0.013 0.000 0.997 706 H CA 0.444 56.504 56.048 0.020 0.000 1.438 706 H CB 0.443 30.203 29.762 -0.003 0.000 1.455 706 H HN 0.637 nan 8.280 nan 0.000 0.575 707 R N 2.038 122.304 120.500 -0.391 0.000 2.170 707 R HA -0.145 4.230 4.340 0.059 0.000 0.242 707 R C 1.342 177.455 176.300 -0.313 0.000 1.145 707 R CA 1.713 57.614 56.100 -0.333 0.000 0.984 707 R CB -0.391 29.647 30.300 -0.436 0.000 0.869 707 R HN 0.370 nan 8.270 nan 0.000 0.455 708 S N 0.378 115.639 115.700 -0.732 0.000 2.595 708 S HA 0.019 4.524 4.470 0.059 0.000 0.235 708 S C 1.596 176.159 174.600 -0.060 0.000 0.974 708 S CA 0.796 58.811 58.200 -0.308 0.000 0.942 708 S CB 0.225 63.212 63.200 -0.354 0.000 0.766 708 S HN 0.207 nan 8.310 nan 0.000 0.536 709 V N 1.040 120.931 119.914 -0.038 0.000 2.685 709 V HA 0.014 4.169 4.120 0.059 0.000 0.244 709 V C 2.270 178.357 176.094 -0.012 0.000 1.054 709 V CA 0.928 63.246 62.300 0.029 0.000 1.076 709 V CB -0.338 31.533 31.823 0.079 0.000 0.725 709 V HN 0.361 nan 8.190 nan 0.000 0.467 710 K N 1.105 121.498 120.400 -0.012 0.000 2.015 710 K HA -0.199 4.156 4.320 0.059 0.000 0.216 710 K C -0.143 176.418 176.600 -0.065 0.000 1.052 710 K CA 2.338 58.607 56.287 -0.030 0.000 0.937 710 K CB -1.160 31.349 32.500 0.014 0.000 0.719 710 K HN 0.408 nan 8.250 nan 0.000 0.446 711 P HA -0.174 nan 4.420 nan 0.000 0.218 711 P C 0.900 178.150 177.300 -0.084 0.000 1.148 711 P CA 1.370 64.423 63.100 -0.077 0.000 0.822 711 P CB -0.013 31.633 31.700 -0.091 0.000 0.784 712 Q N -0.338 119.421 119.800 -0.069 0.000 2.119 712 Q HA -0.038 4.337 4.340 0.059 0.000 0.201 712 Q C 2.486 178.395 176.000 -0.152 0.000 0.972 712 Q CA 1.035 56.793 55.803 -0.075 0.000 0.847 712 Q CB -0.579 28.140 28.738 -0.032 0.000 0.903 712 Q HN 0.400 nan 8.270 nan 0.000 0.433 713 I N 0.547 120.988 120.570 -0.215 0.000 2.202 713 I HA -0.269 3.936 4.170 0.059 0.000 0.242 713 I C 2.345 178.066 176.117 -0.660 0.000 1.091 713 I CA 0.806 61.845 61.300 -0.435 0.000 1.368 713 I CB -0.360 37.388 38.000 -0.420 0.000 1.058 713 I HN 0.121 nan 8.210 nan 0.000 0.410 714 L N 0.007 120.989 121.223 -0.401 0.000 2.013 714 L HA -0.291 4.085 4.340 0.059 0.000 0.212 714 L C 2.792 179.581 176.870 -0.134 0.000 1.073 714 L CA 1.712 56.419 54.840 -0.222 0.000 0.753 714 L CB -0.718 41.287 42.059 -0.089 0.000 0.890 714 L HN 0.286 nan 8.230 nan 0.000 0.432 715 S N -0.485 115.140 115.700 -0.126 0.000 2.353 715 S HA -0.208 4.297 4.470 0.059 0.000 0.222 715 S C 1.958 176.523 174.600 -0.058 0.000 1.035 715 S CA 1.639 59.799 58.200 -0.068 0.000 1.025 715 S CB -0.321 62.843 63.200 -0.060 0.000 0.902 715 S HN 0.231 nan 8.310 nan 0.000 0.440 716 V N 1.177 121.021 119.914 -0.116 0.000 2.720 716 V HA -0.068 4.087 4.120 0.059 0.000 0.256 716 V C 1.921 178.043 176.094 0.047 0.000 1.082 716 V CA 1.602 63.861 62.300 -0.068 0.000 1.101 716 V CB -0.879 30.878 31.823 -0.109 0.000 0.693 716 V HN 0.546 nan 8.190 nan 0.000 0.479 717 F N 1.360 121.306 119.950 -0.006 0.000 2.134 717 F HA 0.004 4.566 4.527 0.059 0.000 0.299 717 F C 2.448 178.204 175.800 -0.073 0.000 1.097 717 F CA 1.211 59.229 58.000 0.030 0.000 1.264 717 F CB -1.539 37.500 39.000 0.065 0.000 1.001 717 F HN 0.271 nan 8.300 nan 0.000 0.479 718 G N -0.554 108.309 108.800 0.105 0.000 2.432 718 G HA2 -0.207 3.788 3.960 0.059 0.000 0.219 718 G HA3 -0.207 3.788 3.960 0.059 0.000 0.219 718 G C 1.384 176.243 174.900 -0.069 0.000 1.135 718 G CA 1.002 46.084 45.100 -0.030 0.000 0.767 718 G HN 0.258 nan 8.290 nan 0.000 0.550 719 D N 0.465 120.853 120.400 -0.019 0.000 2.162 719 D HA 0.002 4.678 4.640 0.059 0.000 0.203 719 D C 2.531 178.820 176.300 -0.019 0.000 0.967 719 D CA 0.245 54.232 54.000 -0.022 0.000 0.840 719 D CB 0.030 40.826 40.800 -0.007 0.000 0.972 719 D HN 0.351 nan 8.370 nan 0.000 0.482 720 I N 1.367 121.949 120.570 0.021 0.000 2.315 720 I HA -0.203 4.002 4.170 0.059 0.000 0.248 720 I C 2.496 178.590 176.117 -0.039 0.000 1.117 720 I CA 0.672 62.017 61.300 0.074 0.000 1.404 720 I CB -0.145 37.991 38.000 0.227 0.000 1.071 720 I HN -0.096 nan 8.210 nan 0.000 0.419 721 A N 1.000 123.579 122.820 -0.402 0.000 1.902 721 A HA -0.171 4.184 4.320 0.059 0.000 0.217 721 A C 2.274 179.704 177.584 -0.256 0.000 1.181 721 A CA 1.410 52.995 52.037 -0.753 0.000 0.623 721 A CB -0.805 17.516 19.000 -1.132 0.000 0.818 721 A HN 0.388 nan 8.150 nan 0.000 0.443 722 L N -1.053 120.072 121.223 -0.163 0.000 2.141 722 L HA -0.149 4.226 4.340 0.059 0.000 0.209 722 L C 2.974 179.828 176.870 -0.027 0.000 1.094 722 L CA 0.872 55.665 54.840 -0.079 0.000 0.763 722 L CB -0.380 41.643 42.059 -0.060 0.000 0.908 722 L HN 0.456 nan 8.230 nan 0.000 0.437 723 A N 0.401 123.220 122.820 -0.002 0.000 1.970 723 A HA -0.055 4.300 4.320 0.059 0.000 0.216 723 A C 2.018 179.648 177.584 0.076 0.000 1.170 723 A CA 1.373 53.436 52.037 0.042 0.000 0.645 723 A CB -0.326 18.712 19.000 0.062 0.000 0.816 723 A HN 0.556 nan 8.150 nan 0.000 0.447 724 I N -5.288 115.343 120.570 0.102 0.000 4.139 724 I HA 0.465 4.670 4.170 0.059 0.000 0.335 724 I C 1.337 177.533 176.117 0.130 0.000 1.327 724 I CA 0.451 61.837 61.300 0.144 0.000 1.112 724 I CB -0.117 38.021 38.000 0.230 0.000 1.058 724 I HN 0.338 nan 8.210 nan 0.000 0.396 725 G N 2.405 111.255 108.800 0.083 0.000 2.672 725 G HA2 -0.443 3.553 3.960 0.059 0.000 0.332 725 G HA3 -0.443 3.553 3.960 0.059 0.000 0.332 725 G C 1.094 176.074 174.900 0.133 0.000 1.213 725 G CA 0.871 46.011 45.100 0.066 0.000 0.980 725 G HN 0.584 nan 8.290 nan 0.000 0.548 726 G N 0.063 108.931 108.800 0.113 0.000 2.442 726 G HA2 -0.014 3.981 3.960 0.059 0.000 0.219 726 G HA3 -0.014 3.981 3.960 0.059 0.000 0.219 726 G C 1.414 176.396 174.900 0.136 0.000 1.141 726 G CA 1.693 46.865 45.100 0.120 0.000 0.763 726 G HN 1.012 nan 8.290 nan 0.000 0.554 727 E N -0.239 120.044 120.200 0.137 0.000 2.501 727 E HA -0.078 4.307 4.350 0.059 0.000 0.203 727 E C 1.549 178.247 176.600 0.163 0.000 1.072 727 E CA 0.205 56.675 56.400 0.116 0.000 0.885 727 E CB -0.511 29.264 29.700 0.126 0.000 0.813 727 E HN 0.454 nan 8.360 nan 0.000 0.556 728 F N 0.443 120.441 119.950 0.079 0.000 2.569 728 F HA 0.197 4.759 4.527 0.059 0.000 0.295 728 F C 1.570 177.386 175.800 0.028 0.000 1.115 728 F CA 0.486 58.575 58.000 0.149 0.000 1.450 728 F CB 0.235 39.327 39.000 0.152 0.000 1.107 728 F HN -0.088 nan 8.300 nan 0.000 0.563 729 K N 0.472 120.917 120.400 0.074 0.000 2.293 729 K HA -0.277 4.078 4.320 0.059 0.000 0.204 729 K C 2.025 178.494 176.600 -0.219 0.000 1.045 729 K CA 1.453 57.724 56.287 -0.026 0.000 0.933 729 K CB -0.180 32.318 32.500 -0.003 0.000 0.736 729 K HN 0.233 nan 8.250 nan 0.000 0.463 730 K N -0.018 120.133 120.400 -0.415 0.000 2.283 730 K HA -0.153 4.202 4.320 0.059 0.000 0.202 730 K C 0.692 176.765 176.600 -0.877 0.000 1.048 730 K CA 1.313 57.191 56.287 -0.682 0.000 0.948 730 K CB 0.183 32.129 32.500 -0.922 0.000 0.742 730 K HN 0.223 nan 8.250 nan 0.000 0.458 731 Y N -0.955 119.051 120.300 -0.489 0.000 2.471 731 Y HA 0.157 4.743 4.550 0.059 0.000 0.249 731 Y C 1.501 177.086 175.900 -0.524 0.000 1.116 731 Y CA -0.548 57.207 58.100 -0.576 0.000 1.240 731 Y CB -0.000 37.947 38.460 -0.855 0.000 1.251 731 Y HN -0.115 nan 8.280 nan 0.000 0.527 732 L N 0.841 121.878 121.223 -0.309 0.000 1.991 732 L HA -0.374 4.001 4.340 0.059 0.000 0.221 732 L C 2.504 179.356 176.870 -0.030 0.000 1.079 732 L CA 2.494 57.303 54.840 -0.053 0.000 0.778 732 L CB -0.198 41.895 42.059 0.057 0.000 0.893 732 L HN 0.390 nan 8.230 nan 0.000 0.437 733 E N -0.758 119.410 120.200 -0.053 0.000 2.049 733 E HA -0.237 4.148 4.350 0.059 0.000 0.198 733 E C 1.991 178.563 176.600 -0.046 0.000 1.007 733 E CA 2.326 58.705 56.400 -0.036 0.000 0.809 733 E CB 0.015 29.687 29.700 -0.046 0.000 0.749 733 E HN 0.401 nan 8.360 nan 0.000 0.450 734 V N 0.255 120.123 119.914 -0.077 0.000 2.261 734 V HA -0.258 3.897 4.120 0.059 0.000 0.246 734 V C 2.454 178.491 176.094 -0.095 0.000 1.047 734 V CA 1.658 63.911 62.300 -0.078 0.000 1.015 734 V CB -0.706 31.066 31.823 -0.085 0.000 0.642 734 V HN 0.207 nan 8.190 nan 0.000 0.446 735 V N -0.038 119.778 119.914 -0.162 0.000 2.295 735 V HA -0.252 3.903 4.120 0.059 0.000 0.246 735 V C 2.406 178.473 176.094 -0.044 0.000 1.049 735 V CA 2.049 64.234 62.300 -0.192 0.000 1.024 735 V CB -0.605 31.054 31.823 -0.272 0.000 0.648 735 V HN 0.436 nan 8.190 nan 0.000 0.447 736 L N 0.121 121.354 121.223 0.017 0.000 2.083 736 L HA -0.173 4.202 4.340 0.059 0.000 0.209 736 L C 2.498 179.390 176.870 0.037 0.000 1.083 736 L CA 1.447 56.336 54.840 0.081 0.000 0.752 736 L CB -0.767 41.370 42.059 0.131 0.000 0.899 736 L HN 0.416 nan 8.230 nan 0.000 0.433 737 N N -0.489 118.208 118.700 -0.004 0.000 2.120 737 N HA -0.136 4.639 4.740 0.059 0.000 0.188 737 N C 1.833 177.323 175.510 -0.034 0.000 1.024 737 N CA 1.832 54.863 53.050 -0.031 0.000 0.852 737 N CB -0.418 38.048 38.487 -0.035 0.000 1.003 737 N HN 0.276 nan 8.380 nan 0.000 0.424 738 T N 2.252 116.796 114.554 -0.016 0.000 2.708 738 T HA -0.016 4.369 4.350 0.059 0.000 0.266 738 T C 2.171 176.865 174.700 -0.011 0.000 1.037 738 T CA 0.708 62.811 62.100 0.006 0.000 1.146 738 T CB -0.285 68.622 68.868 0.066 0.000 0.865 738 T HN 0.138 nan 8.240 nan 0.000 0.435 739 L N 0.810 122.018 121.223 -0.025 0.000 2.083 739 L HA -0.143 4.232 4.340 0.059 0.000 0.209 739 L C 2.871 179.713 176.870 -0.046 0.000 1.083 739 L CA 1.163 55.944 54.840 -0.098 0.000 0.752 739 L CB -0.518 41.370 42.059 -0.285 0.000 0.899 739 L HN 0.234 nan 8.230 nan 0.000 0.433 740 Q N 0.275 120.062 119.800 -0.022 0.000 2.084 740 Q HA -0.237 4.138 4.340 0.059 0.000 0.202 740 Q C 2.171 178.048 176.000 -0.206 0.000 0.978 740 Q CA 1.775 57.491 55.803 -0.144 0.000 0.844 740 Q CB -0.107 28.511 28.738 -0.200 0.000 0.898 740 Q HN 0.433 nan 8.270 nan 0.000 0.426 741 Q N -1.038 118.687 119.800 -0.125 0.000 2.079 741 Q HA -0.059 4.316 4.340 0.059 0.000 0.200 741 Q C 1.997 177.958 176.000 -0.064 0.000 0.974 741 Q CA 1.284 57.029 55.803 -0.096 0.000 0.840 741 Q CB -0.223 28.480 28.738 -0.059 0.000 0.898 741 Q HN 0.508 nan 8.270 nan 0.000 0.430 742 A N 0.889 123.675 122.820 -0.057 0.000 1.902 742 A HA -0.207 4.148 4.320 0.059 0.000 0.217 742 A C 2.211 179.756 177.584 -0.064 0.000 1.181 742 A CA 1.833 53.843 52.037 -0.045 0.000 0.623 742 A CB -0.756 18.215 19.000 -0.049 0.000 0.818 742 A HN 0.483 nan 8.150 nan 0.000 0.443 743 S N -0.134 115.472 115.700 -0.157 0.000 2.440 743 S HA -0.246 4.260 4.470 0.059 0.000 0.238 743 S C 1.655 176.259 174.600 0.008 0.000 1.010 743 S CA 1.478 59.458 58.200 -0.368 0.000 0.972 743 S CB -0.534 62.230 63.200 -0.727 0.000 0.774 743 S HN 0.726 nan 8.310 nan 0.000 0.501 744 Q N 1.093 120.936 119.800 0.071 0.000 2.451 744 Q HA 0.383 4.758 4.340 0.059 0.000 0.206 744 Q C 1.059 177.124 176.000 0.108 0.000 0.947 744 Q CA 0.272 56.156 55.803 0.134 0.000 0.937 744 Q CB -0.273 28.481 28.738 0.028 0.000 1.025 744 Q HN 0.722 nan 8.270 nan 0.000 0.511 745 A N 1.794 124.667 122.820 0.088 0.000 2.567 745 A HA 0.042 4.397 4.320 0.059 0.000 0.236 745 A C 0.112 177.770 177.584 0.123 0.000 1.088 745 A CA 0.599 52.690 52.037 0.091 0.000 0.776 745 A CB 0.285 19.332 19.000 0.078 0.000 1.033 745 A HN 0.305 nan 8.150 nan 0.000 0.513 746 Q N -0.382 119.484 119.800 0.110 0.000 2.774 746 Q HA 0.444 4.819 4.340 0.059 0.000 0.232 746 Q C -1.123 174.932 176.000 0.093 0.000 0.985 746 Q CA -0.320 55.550 55.803 0.112 0.000 1.058 746 Q CB 1.068 29.878 28.738 0.120 0.000 1.789 746 Q HN 1.195 nan 8.270 nan 0.000 0.487 747 V N -0.366 119.601 119.914 0.088 0.000 3.815 747 V HA 0.645 4.800 4.120 0.059 0.000 0.284 747 V C -0.274 175.846 176.094 0.042 0.000 1.266 747 V CA -0.160 62.182 62.300 0.070 0.000 0.923 747 V CB 0.989 32.862 31.823 0.083 0.000 1.267 747 V HN 0.880 nan 8.190 nan 0.000 0.461 748 D N -0.542 119.872 120.400 0.022 0.000 2.249 748 D HA 0.187 4.863 4.640 0.059 0.000 0.246 748 D C 0.044 176.319 176.300 -0.042 0.000 1.114 748 D CA -0.557 53.444 54.000 0.001 0.000 0.854 748 D CB 1.508 42.310 40.800 0.004 0.000 1.132 748 D HN 0.603 nan 8.370 nan 0.000 0.461 749 K N 1.041 121.410 120.400 -0.053 0.000 2.773 749 K HA -0.024 4.331 4.320 0.059 0.000 0.222 749 K C 0.985 177.469 176.600 -0.193 0.000 0.985 749 K CA 0.205 56.425 56.287 -0.112 0.000 1.126 749 K CB -0.183 32.270 32.500 -0.078 0.000 0.919 749 K HN 0.534 nan 8.250 nan 0.000 0.487 750 S N -1.303 114.289 115.700 -0.180 0.000 3.056 750 S HA -0.038 4.467 4.470 0.059 0.000 0.255 750 S C 0.552 175.022 174.600 -0.218 0.000 1.079 750 S CA -0.358 57.723 58.200 -0.198 0.000 0.810 750 S CB 0.033 63.208 63.200 -0.042 0.000 0.810 750 S HN 0.160 nan 8.310 nan 0.000 0.477 751 D N 1.400 121.744 120.400 -0.093 0.000 2.357 751 D HA 0.142 4.817 4.640 0.059 0.000 0.265 751 D C -0.094 176.199 176.300 -0.012 0.000 1.334 751 D CA -0.225 53.777 54.000 0.003 0.000 0.984 751 D CB -0.116 40.694 40.800 0.017 0.000 1.077 751 D HN 0.368 nan 8.370 nan 0.000 0.514 752 Y N 1.409 121.711 120.300 0.002 0.000 2.569 752 Y HA -0.088 4.498 4.550 0.060 0.000 0.293 752 Y C 1.864 177.774 175.900 0.017 0.000 1.144 752 Y CA 0.469 58.572 58.100 0.006 0.000 1.321 752 Y CB 0.082 38.535 38.460 -0.013 0.000 0.982 752 Y HN 0.406 nan 8.280 nan 0.000 0.558 753 D N -0.851 119.636 120.400 0.145 0.000 2.277 753 D HA -0.087 4.588 4.640 0.059 0.000 0.208 753 D C 1.803 178.155 176.300 0.086 0.000 0.962 753 D CA 0.999 55.051 54.000 0.087 0.000 0.865 753 D CB 0.189 41.013 40.800 0.040 0.000 0.939 753 D HN 0.347 nan 8.370 nan 0.000 0.510 754 M N -0.211 119.442 119.600 0.088 0.000 2.691 754 M HA 0.029 4.544 4.480 0.059 0.000 0.261 754 M C 2.285 178.671 176.300 0.145 0.000 1.227 754 M CA 0.329 55.711 55.300 0.138 0.000 1.197 754 M CB -0.667 31.986 32.600 0.088 0.000 1.294 754 M HN -0.188 nan 8.290 nan 0.000 0.508 755 V N 1.573 121.520 119.914 0.054 0.000 2.660 755 V HA -0.253 3.902 4.120 0.059 0.000 0.257 755 V C 1.069 177.198 176.094 0.059 0.000 1.088 755 V CA 1.929 64.234 62.300 0.008 0.000 1.106 755 V CB -0.921 30.825 31.823 -0.128 0.000 0.686 755 V HN 0.371 nan 8.190 nan 0.000 0.481 756 D N -2.582 117.882 120.400 0.107 0.000 2.392 756 D HA 0.006 4.681 4.640 0.059 0.000 0.206 756 D C 1.646 178.017 176.300 0.119 0.000 1.046 756 D CA 0.167 54.230 54.000 0.105 0.000 0.865 756 D CB 0.018 40.887 40.800 0.114 0.000 0.969 756 D HN 0.559 nan 8.370 nan 0.000 0.509 757 Y N 0.843 121.155 120.300 0.019 0.000 2.365 757 Y HA 0.166 4.751 4.550 0.058 0.000 0.293 757 Y C 1.659 177.571 175.900 0.019 0.000 1.119 757 Y CA 0.777 58.881 58.100 0.006 0.000 1.203 757 Y CB -0.097 38.357 38.460 -0.010 0.000 1.026 757 Y HN -0.077 nan 8.280 nan 0.000 0.549 758 L N 0.446 121.633 121.223 -0.059 0.000 2.093 758 L HA -0.200 4.176 4.340 0.059 0.000 0.208 758 L C 1.136 177.954 176.870 -0.088 0.000 1.085 758 L CA 1.372 56.145 54.840 -0.111 0.000 0.755 758 L CB -0.390 41.689 42.059 0.034 0.000 0.904 758 L HN 0.279 nan 8.230 nan 0.000 0.435 759 N N -0.089 118.591 118.700 -0.033 0.000 2.515 759 N HA -0.151 4.624 4.740 0.059 0.000 0.191 759 N C 1.202 176.690 175.510 -0.037 0.000 1.182 759 N CA 0.559 53.605 53.050 -0.008 0.000 0.879 759 N CB 0.296 38.798 38.487 0.025 0.000 0.984 759 N HN 0.559 nan 8.380 nan 0.000 0.453 760 E N -0.221 119.909 120.200 -0.115 0.000 2.364 760 E HA 0.040 4.425 4.350 0.059 0.000 0.203 760 E C 1.438 177.934 176.600 -0.172 0.000 0.888 760 E CA -0.099 56.228 56.400 -0.121 0.000 0.989 760 E CB 0.263 29.895 29.700 -0.115 0.000 0.985 760 E HN 0.026 nan 8.360 nan 0.000 0.499 761 L N 1.046 122.091 121.223 -0.297 0.000 2.270 761 L HA 0.147 4.522 4.340 0.059 0.000 0.210 761 L C 2.048 178.893 176.870 -0.041 0.000 1.104 761 L CA 1.137 55.831 54.840 -0.243 0.000 0.804 761 L CB -0.034 41.788 42.059 -0.396 0.000 0.937 761 L HN -0.044 nan 8.230 nan 0.000 0.450 762 R N -0.526 119.995 120.500 0.035 0.000 2.062 762 R HA -0.119 4.256 4.340 0.059 0.000 0.226 762 R C 2.113 178.531 176.300 0.196 0.000 1.125 762 R CA 1.344 57.590 56.100 0.242 0.000 0.966 762 R CB -0.223 30.194 30.300 0.195 0.000 0.861 762 R HN 0.457 nan 8.270 nan 0.000 0.433 763 E N 0.837 121.082 120.200 0.075 0.000 2.110 763 E HA -0.181 4.204 4.350 0.059 0.000 0.193 763 E C 1.771 178.408 176.600 0.061 0.000 0.988 763 E CA 1.683 58.118 56.400 0.058 0.000 0.804 763 E CB 0.072 29.782 29.700 0.017 0.000 0.745 763 E HN 0.296 nan 8.360 nan 0.000 0.458 764 S N -0.392 115.325 115.700 0.028 0.000 2.402 764 S HA -0.158 4.347 4.470 0.059 0.000 0.229 764 S C 2.227 176.834 174.600 0.011 0.000 1.021 764 S CA 1.036 59.237 58.200 0.002 0.000 0.974 764 S CB -0.672 62.504 63.200 -0.041 0.000 0.800 764 S HN 0.443 nan 8.310 nan 0.000 0.484 765 C N 1.476 120.806 119.300 0.050 0.000 2.453 765 C HA 0.192 4.688 4.460 0.059 0.000 0.277 765 C C 2.719 177.784 174.990 0.126 0.000 1.262 765 C CA 0.503 59.520 59.018 -0.002 0.000 1.718 765 C CB -1.583 26.175 27.740 0.030 0.000 2.031 765 C HN 0.594 nan 8.230 nan 0.000 0.480 766 L N 0.703 122.123 121.223 0.328 0.000 2.042 766 L HA -0.200 4.175 4.340 0.059 0.000 0.210 766 L C 2.605 179.607 176.870 0.219 0.000 1.076 766 L CA 1.914 56.969 54.840 0.360 0.000 0.749 766 L CB -0.810 41.391 42.059 0.236 0.000 0.893 766 L HN 0.476 nan 8.230 nan 0.000 0.432 767 E N 0.182 120.454 120.200 0.120 0.000 2.274 767 E HA -0.167 4.218 4.350 0.059 0.000 0.194 767 E C 2.106 178.735 176.600 0.048 0.000 0.996 767 E CA 0.837 57.278 56.400 0.069 0.000 0.840 767 E CB 0.143 29.863 29.700 0.033 0.000 0.772 767 E HN 0.471 nan 8.360 nan 0.000 0.491 768 A N -0.100 122.730 122.820 0.016 0.000 1.903 768 A HA -0.071 4.284 4.320 0.059 0.000 0.213 768 A C 1.625 179.204 177.584 -0.010 0.000 1.185 768 A CA 0.655 52.673 52.037 -0.032 0.000 0.628 768 A CB -0.537 18.397 19.000 -0.111 0.000 0.830 768 A HN 0.302 nan 8.150 nan 0.000 0.446 769 Y N 0.897 121.260 120.300 0.105 0.000 2.133 769 Y HA -0.148 4.437 4.550 0.058 0.000 0.287 769 Y C 2.977 178.928 175.900 0.086 0.000 1.134 769 Y CA 1.668 59.834 58.100 0.110 0.000 1.133 769 Y CB -1.220 37.325 38.460 0.141 0.000 0.987 769 Y HN 0.259 nan 8.280 nan 0.000 0.502 770 T N -0.460 114.244 114.554 0.250 0.000 2.665 770 T HA -0.237 4.148 4.350 0.059 0.000 0.268 770 T C 2.246 176.995 174.700 0.082 0.000 1.035 770 T CA 1.682 63.872 62.100 0.150 0.000 1.151 770 T CB -1.066 67.869 68.868 0.112 0.000 0.862 770 T HN 0.587 nan 8.240 nan 0.000 0.438 771 G N 1.169 109.995 108.800 0.043 0.000 2.459 771 G HA2 -0.163 3.832 3.960 0.059 0.000 0.217 771 G HA3 -0.163 3.832 3.960 0.059 0.000 0.217 771 G C 1.555 176.416 174.900 -0.064 0.000 1.183 771 G CA 0.726 45.812 45.100 -0.025 0.000 0.776 771 G HN 0.505 nan 8.290 nan 0.000 0.552 772 I N 0.351 120.892 120.570 -0.049 0.000 2.163 772 I HA -0.197 4.008 4.170 0.059 0.000 0.243 772 I C 2.826 178.956 176.117 0.023 0.000 1.085 772 I CA 0.703 61.963 61.300 -0.066 0.000 1.347 772 I CB -0.401 37.637 38.000 0.064 0.000 1.044 772 I HN 0.038 nan 8.210 nan 0.000 0.408 773 V N 0.208 120.180 119.914 0.096 0.000 2.287 773 V HA -0.294 3.861 4.120 0.059 0.000 0.248 773 V C 2.528 178.631 176.094 0.014 0.000 1.053 773 V CA 1.735 64.091 62.300 0.094 0.000 1.027 773 V CB -0.676 31.230 31.823 0.140 0.000 0.646 773 V HN 0.455 nan 8.190 nan 0.000 0.447 774 Q N 0.108 119.908 119.800 0.000 0.000 2.119 774 Q HA -0.107 4.268 4.340 0.059 0.000 0.201 774 Q C 2.416 178.377 176.000 -0.066 0.000 0.972 774 Q CA 1.842 57.623 55.803 -0.036 0.000 0.847 774 Q CB -0.868 27.852 28.738 -0.030 0.000 0.903 774 Q HN 0.689 nan 8.270 nan 0.000 0.433 775 G N 0.516 109.273 108.800 -0.071 0.000 2.418 775 G HA2 -0.187 3.809 3.960 0.059 0.000 0.217 775 G HA3 -0.187 3.809 3.960 0.059 0.000 0.217 775 G C 1.448 176.319 174.900 -0.049 0.000 1.158 775 G CA 0.386 45.437 45.100 -0.081 0.000 0.771 775 G HN 0.292 nan 8.290 nan 0.000 0.545 776 L N -0.268 120.942 121.223 -0.022 0.000 2.418 776 L HA 0.166 4.541 4.340 0.059 0.000 0.218 776 L C 2.479 179.334 176.870 -0.024 0.000 1.125 776 L CA 0.458 55.308 54.840 0.017 0.000 0.835 776 L CB -0.056 42.045 42.059 0.071 0.000 0.953 776 L HN 0.174 nan 8.230 nan 0.000 0.454 777 K N 0.434 120.774 120.400 -0.099 0.000 2.487 777 K HA 0.080 4.435 4.320 0.059 0.000 0.192 777 K C 1.130 177.385 176.600 -0.575 0.000 1.027 777 K CA 0.564 56.731 56.287 -0.200 0.000 1.054 777 K CB 0.140 32.537 32.500 -0.171 0.000 0.824 777 K HN 0.309 nan 8.250 nan 0.000 0.510 778 G N 1.128 109.676 108.800 -0.420 0.000 2.523 778 G HA2 -0.297 3.698 3.960 0.059 0.000 0.271 778 G HA3 -0.297 3.698 3.960 0.059 0.000 0.271 778 G C 0.129 174.824 174.900 -0.343 0.000 1.146 778 G CA 0.365 45.168 45.100 -0.495 0.000 0.961 778 G HN 0.414 nan 8.290 nan 0.000 0.549 779 D N -0.268 119.937 120.400 -0.325 0.000 2.266 779 D HA 0.147 4.822 4.640 0.059 0.000 0.304 779 D C 1.832 178.096 176.300 -0.060 0.000 1.080 779 D CA 1.188 55.110 54.000 -0.129 0.000 0.850 779 D CB 0.658 41.431 40.800 -0.044 0.000 1.515 779 D HN 0.688 nan 8.370 nan 0.000 0.531 780 Q N 0.470 120.277 119.800 0.012 0.000 1.845 780 Q HA 0.175 4.550 4.340 0.059 0.000 0.152 780 Q C 0.514 176.615 176.000 0.168 0.000 0.453 780 Q CA -0.441 55.417 55.803 0.091 0.000 0.693 780 Q CB 0.550 29.342 28.738 0.090 0.000 0.936 780 Q HN -0.136 nan 8.270 nan 0.000 0.323 781 E N 3.058 123.390 120.200 0.219 0.000 2.651 781 E HA -0.155 4.230 4.350 0.059 0.000 0.272 781 E C -0.263 176.435 176.600 0.163 0.000 1.382 781 E CA 0.674 57.158 56.400 0.139 0.000 1.231 781 E CB 0.036 29.755 29.700 0.031 0.000 0.989 781 E HN 0.430 nan 8.360 nan 0.000 0.504 782 N N -1.173 117.568 118.700 0.067 0.000 2.146 782 N HA -0.111 4.664 4.740 0.059 0.000 0.215 782 N C -0.065 175.521 175.510 0.127 0.000 1.313 782 N CA 0.013 53.096 53.050 0.056 0.000 0.877 782 N CB -0.088 38.405 38.487 0.009 0.000 1.076 782 N HN 0.412 nan 8.380 nan 0.000 0.437 783 V N -1.476 118.475 119.914 0.061 0.000 2.539 783 V HA -0.037 4.118 4.120 0.059 0.000 0.300 783 V C 0.072 176.244 176.094 0.130 0.000 1.019 783 V CA -0.087 62.242 62.300 0.050 0.000 1.160 783 V CB -0.777 30.998 31.823 -0.080 0.000 0.901 783 V HN 0.558 nan 8.190 nan 0.000 0.481 784 H N 7.290 126.330 119.070 -0.051 0.000 2.660 784 H HA 0.283 4.874 4.556 0.059 0.000 0.374 784 H C -1.070 174.248 175.328 -0.016 0.000 1.291 784 H CA -0.879 55.155 56.048 -0.024 0.000 1.437 784 H CB 0.078 29.832 29.762 -0.014 0.000 1.509 784 H HN 0.465 nan 8.280 nan 0.000 0.614 785 P HA -0.198 nan 4.420 nan 0.000 0.214 785 P C 0.599 177.947 177.300 0.081 0.000 1.163 785 P CA 1.499 64.637 63.100 0.063 0.000 0.883 785 P CB 0.358 32.083 31.700 0.040 0.000 0.788 786 D N 0.395 120.852 120.400 0.095 0.000 2.126 786 D HA -0.153 4.522 4.640 0.059 0.000 0.190 786 D C 2.089 178.451 176.300 0.104 0.000 1.001 786 D CA 2.329 56.385 54.000 0.095 0.000 0.841 786 D CB -0.799 40.060 40.800 0.098 0.000 0.949 786 D HN 0.160 nan 8.370 nan 0.000 0.446 787 V N -0.763 119.200 119.914 0.082 0.000 2.636 787 V HA -0.254 3.901 4.120 0.059 0.000 0.258 787 V C 2.231 178.442 176.094 0.194 0.000 1.092 787 V CA 1.286 63.636 62.300 0.083 0.000 1.110 787 V CB -0.655 31.111 31.823 -0.095 0.000 0.685 787 V HN 0.071 nan 8.190 nan 0.000 0.481 788 M N -0.209 119.488 119.600 0.163 0.000 2.358 788 M HA 0.039 4.554 4.480 0.059 0.000 0.264 788 M C 2.067 178.484 176.300 0.195 0.000 1.064 788 M CA 1.346 56.780 55.300 0.223 0.000 1.093 788 M CB -1.112 31.572 32.600 0.140 0.000 1.401 788 M HN 0.451 nan 8.290 nan 0.000 0.440 789 L N -1.097 120.220 121.223 0.156 0.000 2.131 789 L HA -0.177 4.198 4.340 0.059 0.000 0.210 789 L C 2.131 179.083 176.870 0.136 0.000 1.092 789 L CA 0.732 55.645 54.840 0.123 0.000 0.759 789 L CB -0.528 41.595 42.059 0.108 0.000 0.903 789 L HN 0.050 nan 8.230 nan 0.000 0.435 790 V N -1.188 118.846 119.914 0.200 0.000 3.235 790 V HA -0.126 4.030 4.120 0.059 0.000 0.259 790 V C 2.273 178.420 176.094 0.088 0.000 1.133 790 V CA 0.558 62.972 62.300 0.190 0.000 1.128 790 V CB -0.135 31.857 31.823 0.282 0.000 0.757 790 V HN 0.418 nan 8.190 nan 0.000 0.469 791 Q N 1.260 121.133 119.800 0.121 0.000 2.118 791 Q HA -0.214 4.162 4.340 0.059 0.000 0.211 791 Q C 0.064 175.936 176.000 -0.214 0.000 0.998 791 Q CA 2.770 58.468 55.803 -0.176 0.000 0.872 791 Q CB -1.377 27.408 28.738 0.078 0.000 0.925 791 Q HN 0.520 nan 8.270 nan 0.000 0.414 792 P HA -0.105 nan 4.420 nan 0.000 0.222 792 P C 0.698 177.963 177.300 -0.059 0.000 1.147 792 P CA 0.967 64.032 63.100 -0.059 0.000 0.790 792 P CB -0.052 31.639 31.700 -0.015 0.000 0.780 793 R N -0.432 120.036 120.500 -0.053 0.000 2.276 793 R HA 0.101 4.477 4.340 0.059 0.000 0.196 793 R C 2.223 178.475 176.300 -0.079 0.000 0.961 793 R CA 0.035 56.123 56.100 -0.020 0.000 1.024 793 R CB -1.627 28.696 30.300 0.039 0.000 0.940 793 R HN 0.136 nan 8.270 nan 0.000 0.480 794 V N 1.472 121.261 119.914 -0.208 0.000 2.317 794 V HA -0.314 3.841 4.120 0.059 0.000 0.251 794 V C 2.401 178.393 176.094 -0.169 0.000 1.065 794 V CA 2.298 64.425 62.300 -0.288 0.000 1.049 794 V CB -0.403 31.099 31.823 -0.534 0.000 0.651 794 V HN 0.259 nan 8.190 nan 0.000 0.450 795 E N -0.123 120.013 120.200 -0.106 0.000 2.049 795 E HA -0.273 4.112 4.350 0.059 0.000 0.198 795 E C 1.902 178.501 176.600 -0.003 0.000 1.007 795 E CA 2.040 58.413 56.400 -0.046 0.000 0.809 795 E CB -0.448 29.247 29.700 -0.009 0.000 0.749 795 E HN 0.562 nan 8.360 nan 0.000 0.450 796 F N 0.531 120.437 119.950 -0.073 0.000 2.113 796 F HA -0.048 4.514 4.527 0.059 0.000 0.297 796 F C 1.968 177.755 175.800 -0.021 0.000 1.103 796 F CA 1.378 59.356 58.000 -0.036 0.000 1.248 796 F CB -0.342 38.637 39.000 -0.036 0.000 0.999 796 F HN 0.044 nan 8.300 nan 0.000 0.475 797 I N 0.293 120.752 120.570 -0.186 0.000 2.113 797 I HA -0.406 3.800 4.170 0.059 0.000 0.242 797 I C 2.461 178.436 176.117 -0.237 0.000 1.057 797 I CA 1.801 62.919 61.300 -0.303 0.000 1.314 797 I CB -0.824 36.948 38.000 -0.379 0.000 1.022 797 I HN 0.219 nan 8.210 nan 0.000 0.408 798 L N -0.232 120.871 121.223 -0.198 0.000 2.046 798 L HA -0.203 4.172 4.340 0.059 0.000 0.208 798 L C 2.712 179.470 176.870 -0.186 0.000 1.077 798 L CA 1.253 55.995 54.840 -0.164 0.000 0.747 798 L CB -0.571 41.412 42.059 -0.126 0.000 0.896 798 L HN 0.209 nan 8.230 nan 0.000 0.432 799 S N -0.201 115.359 115.700 -0.233 0.000 2.356 799 S HA -0.190 4.316 4.470 0.059 0.000 0.223 799 S C 1.777 176.217 174.600 -0.266 0.000 1.032 799 S CA 1.313 59.385 58.200 -0.214 0.000 1.005 799 S CB -0.408 62.684 63.200 -0.179 0.000 0.867 799 S HN 0.374 nan 8.310 nan 0.000 0.449 800 F N 2.702 122.183 119.950 -0.782 0.000 2.065 800 F HA -0.152 4.410 4.527 0.059 0.000 0.298 800 F C 1.856 177.526 175.800 -0.216 0.000 1.112 800 F CA 1.266 58.906 58.000 -0.600 0.000 1.212 800 F CB -0.763 37.806 39.000 -0.719 0.000 0.975 800 F HN 0.137 nan 8.300 nan 0.000 0.476 801 I N 0.116 120.445 120.570 -0.402 0.000 2.361 801 I HA -0.264 3.941 4.170 0.059 0.000 0.251 801 I C 2.212 178.177 176.117 -0.254 0.000 1.133 801 I CA 1.695 62.742 61.300 -0.422 0.000 1.413 801 I CB -0.697 37.148 38.000 -0.259 0.000 1.073 801 I HN 0.204 nan 8.210 nan 0.000 0.424 802 D N 0.563 120.866 120.400 -0.162 0.000 2.097 802 D HA -0.267 4.408 4.640 0.059 0.000 0.195 802 D C 2.136 178.420 176.300 -0.027 0.000 0.989 802 D CA 1.681 55.633 54.000 -0.079 0.000 0.827 802 D CB -0.100 40.672 40.800 -0.045 0.000 0.966 802 D HN 0.323 nan 8.370 nan 0.000 0.456 803 H N -0.364 118.645 119.070 -0.101 0.000 2.423 803 H HA 0.096 4.687 4.556 0.059 0.000 0.297 803 H C 2.152 177.450 175.328 -0.049 0.000 1.075 803 H CA 1.115 57.138 56.048 -0.043 0.000 1.342 803 H CB -0.143 29.626 29.762 0.012 0.000 1.395 803 H HN 0.178 nan 8.280 nan 0.000 0.530 804 I N -0.358 120.164 120.570 -0.079 0.000 2.226 804 I HA -0.261 3.944 4.170 0.059 0.000 0.245 804 I C 2.510 178.686 176.117 0.099 0.000 1.100 804 I CA 1.005 62.251 61.300 -0.091 0.000 1.374 804 I CB -0.396 37.411 38.000 -0.321 0.000 1.057 804 I HN 0.356 nan 8.210 nan 0.000 0.413 805 A N 0.819 123.660 122.820 0.035 0.000 2.019 805 A HA -0.101 4.255 4.320 0.059 0.000 0.219 805 A C 2.292 179.965 177.584 0.148 0.000 1.164 805 A CA 1.771 53.910 52.037 0.170 0.000 0.644 805 A CB -1.190 17.814 19.000 0.006 0.000 0.805 805 A HN 0.476 nan 8.150 nan 0.000 0.449 806 G N 0.078 108.855 108.800 -0.038 0.000 2.616 806 G HA2 -0.086 3.910 3.960 0.059 0.000 0.215 806 G HA3 -0.086 3.910 3.960 0.059 0.000 0.215 806 G C 0.189 174.964 174.900 -0.208 0.000 1.284 806 G CA 0.430 45.438 45.100 -0.153 0.000 0.823 806 G HN 0.461 nan 8.290 nan 0.000 0.569 807 D N 2.040 122.293 120.400 -0.244 0.000 2.661 807 D HA -0.010 4.666 4.640 0.059 0.000 0.244 807 D C 0.563 176.648 176.300 -0.358 0.000 1.196 807 D CA 0.381 54.247 54.000 -0.223 0.000 0.881 807 D CB 0.623 41.338 40.800 -0.140 0.000 1.141 807 D HN 0.251 nan 8.370 nan 0.000 0.530 808 E N 2.148 122.158 120.200 -0.317 0.000 2.385 808 E HA -0.077 4.308 4.350 0.059 0.000 0.201 808 E C 0.552 176.962 176.600 -0.316 0.000 1.250 808 E CA 0.279 56.447 56.400 -0.387 0.000 1.104 808 E CB 0.161 29.738 29.700 -0.206 0.000 1.174 808 E HN 0.483 nan 8.360 nan 0.000 0.461 809 D N -0.574 119.650 120.400 -0.294 0.000 2.255 809 D HA -0.003 4.672 4.640 0.059 0.000 0.224 809 D C 0.680 176.964 176.300 -0.027 0.000 0.997 809 D CA 0.359 54.288 54.000 -0.120 0.000 0.906 809 D CB 0.016 40.778 40.800 -0.064 0.000 1.047 809 D HN 0.355 nan 8.370 nan 0.000 0.458 810 H N 0.010 119.061 119.070 -0.031 0.000 1.452 810 H HA -0.233 4.358 4.556 0.059 0.000 0.090 810 H C 0.068 175.387 175.328 -0.015 0.000 2.899 810 H CA 0.981 57.010 56.048 -0.032 0.000 1.901 810 H CB -0.705 29.037 29.762 -0.033 0.000 2.257 810 H HN 0.378 nan 8.280 nan 0.000 0.961 811 T N -1.121 113.525 114.554 0.153 0.000 3.404 811 T HA -0.023 4.362 4.350 0.059 0.000 0.436 811 T C -0.386 174.326 174.700 0.021 0.000 1.532 811 T CA 0.026 62.167 62.100 0.067 0.000 1.062 811 T CB 0.377 69.272 68.868 0.045 0.000 1.549 811 T HN 0.574 nan 8.240 nan 0.000 0.449 812 D N 2.636 123.047 120.400 0.019 0.000 2.357 812 D HA -0.046 4.629 4.640 0.059 0.000 0.216 812 D C 1.883 178.175 176.300 -0.013 0.000 0.973 812 D CA 1.730 55.728 54.000 -0.002 0.000 0.912 812 D CB -0.156 40.648 40.800 0.008 0.000 0.900 812 D HN 0.750 nan 8.370 nan 0.000 0.501 813 G N 0.398 109.194 108.800 -0.007 0.000 2.396 813 G HA2 -0.122 3.873 3.960 0.059 0.000 0.214 813 G HA3 -0.122 3.873 3.960 0.059 0.000 0.214 813 G C 1.847 176.734 174.900 -0.022 0.000 1.166 813 G CA 0.041 45.136 45.100 -0.008 0.000 0.793 813 G HN 0.208 nan 8.290 nan 0.000 0.533 814 V N 0.513 120.406 119.914 -0.034 0.000 2.358 814 V HA -0.139 4.016 4.120 0.059 0.000 0.246 814 V C 3.042 179.068 176.094 -0.114 0.000 1.047 814 V CA 1.324 63.586 62.300 -0.064 0.000 1.035 814 V CB -0.053 31.727 31.823 -0.071 0.000 0.658 814 V HN 0.218 nan 8.190 nan 0.000 0.452 815 V N 0.260 120.086 119.914 -0.147 0.000 2.287 815 V HA -0.300 3.855 4.120 0.059 0.000 0.248 815 V C 2.683 178.725 176.094 -0.086 0.000 1.053 815 V CA 2.199 64.396 62.300 -0.171 0.000 1.027 815 V CB -1.127 30.600 31.823 -0.161 0.000 0.646 815 V HN 0.582 nan 8.190 nan 0.000 0.447 816 A N -1.214 121.577 122.820 -0.047 0.000 1.858 816 A HA -0.275 4.081 4.320 0.059 0.000 0.216 816 A C 2.349 179.932 177.584 -0.001 0.000 1.190 816 A CA 2.294 54.322 52.037 -0.015 0.000 0.617 816 A CB -1.223 17.771 19.000 -0.011 0.000 0.827 816 A HN 0.582 nan 8.150 nan 0.000 0.443 817 C N -1.162 118.135 119.300 -0.005 0.000 2.422 817 C HA 0.101 4.596 4.460 0.059 0.000 0.279 817 C C 3.313 178.321 174.990 0.030 0.000 1.305 817 C CA 0.694 59.724 59.018 0.020 0.000 1.757 817 C CB -1.297 26.459 27.740 0.028 0.000 1.962 817 C HN 0.691 nan 8.230 nan 0.000 0.499 818 A N 0.475 123.285 122.820 -0.016 0.000 1.873 818 A HA 0.091 4.446 4.320 0.059 0.000 0.215 818 A C 2.392 179.975 177.584 -0.002 0.000 1.186 818 A CA 1.960 53.975 52.037 -0.036 0.000 0.616 818 A CB -1.017 17.906 19.000 -0.127 0.000 0.823 818 A HN 0.548 nan 8.150 nan 0.000 0.442 819 A N -0.393 122.428 122.820 0.002 0.000 1.917 819 A HA 0.024 4.379 4.320 0.059 0.000 0.219 819 A C 2.410 180.084 177.584 0.149 0.000 1.182 819 A CA 2.126 54.192 52.037 0.049 0.000 0.633 819 A CB -1.461 17.571 19.000 0.054 0.000 0.819 819 A HN 0.810 nan 8.150 nan 0.000 0.448 820 G N -0.821 108.072 108.800 0.155 0.000 2.432 820 G HA2 -0.124 3.871 3.960 0.059 0.000 0.219 820 G HA3 -0.124 3.871 3.960 0.059 0.000 0.219 820 G C 1.542 176.592 174.900 0.250 0.000 1.135 820 G CA 0.878 46.119 45.100 0.234 0.000 0.767 820 G HN 0.427 nan 8.290 nan 0.000 0.550 821 L N -0.328 120.986 121.223 0.153 0.000 2.044 821 L HA 0.008 4.383 4.340 0.059 0.000 0.205 821 L C 2.784 179.721 176.870 0.112 0.000 1.075 821 L CA 0.793 55.717 54.840 0.139 0.000 0.747 821 L CB -0.235 41.890 42.059 0.111 0.000 0.903 821 L HN 0.132 nan 8.230 nan 0.000 0.435 822 I N 0.359 120.963 120.570 0.057 0.000 2.145 822 I HA -0.263 3.943 4.170 0.059 0.000 0.244 822 I C 2.566 178.673 176.117 -0.016 0.000 1.075 822 I CA 1.750 63.049 61.300 -0.002 0.000 1.332 822 I CB -1.192 36.776 38.000 -0.053 0.000 1.033 822 I HN 0.264 nan 8.210 nan 0.000 0.410 823 G N -0.156 108.645 108.800 0.001 0.000 2.511 823 G HA2 -0.276 3.719 3.960 0.059 0.000 0.216 823 G HA3 -0.276 3.719 3.960 0.059 0.000 0.216 823 G C 1.468 176.353 174.900 -0.025 0.000 1.218 823 G CA 1.091 46.043 45.100 -0.246 0.000 0.788 823 G HN 0.349 nan 8.290 nan 0.000 0.560 824 D N 0.280 120.843 120.400 0.271 0.000 2.265 824 D HA -0.059 4.617 4.640 0.059 0.000 0.208 824 D C 2.570 178.941 176.300 0.118 0.000 0.977 824 D CA 0.480 54.614 54.000 0.224 0.000 0.871 824 D CB 0.021 40.946 40.800 0.207 0.000 0.925 824 D HN 0.293 nan 8.370 nan 0.000 0.485 825 L N 0.057 121.358 121.223 0.129 0.000 2.109 825 L HA -0.121 4.254 4.340 0.059 0.000 0.207 825 L C 2.607 179.577 176.870 0.167 0.000 1.086 825 L CA 0.524 55.495 54.840 0.218 0.000 0.760 825 L CB -0.189 41.985 42.059 0.190 0.000 0.910 825 L HN 0.112 nan 8.230 nan 0.000 0.437 826 C N -0.794 118.528 119.300 0.037 0.000 2.432 826 C HA -0.113 4.382 4.460 0.059 0.000 0.280 826 C C 2.689 177.664 174.990 -0.025 0.000 1.353 826 C CA 1.070 60.079 59.018 -0.014 0.000 1.766 826 C CB -0.788 26.880 27.740 -0.121 0.000 1.924 826 C HN 0.475 nan 8.230 nan 0.000 0.509 827 T N 0.142 114.678 114.554 -0.029 0.000 3.081 827 T HA 0.149 4.534 4.350 0.059 0.000 0.255 827 T C 1.777 176.423 174.700 -0.090 0.000 1.113 827 T CA 1.055 63.139 62.100 -0.027 0.000 1.082 827 T CB 0.009 68.901 68.868 0.041 0.000 0.939 827 T HN 0.612 nan 8.240 nan 0.000 0.506 828 A N -0.171 122.537 122.820 -0.187 0.000 2.035 828 A HA 0.440 4.795 4.320 0.059 0.000 0.208 828 A C 1.276 178.396 177.584 -0.774 0.000 1.206 828 A CA 0.230 51.952 52.037 -0.526 0.000 0.773 828 A CB -0.050 18.493 19.000 -0.762 0.000 0.878 828 A HN 0.456 nan 8.150 nan 0.000 0.469 829 F N -1.154 118.805 119.950 0.015 0.000 2.789 829 F HA 0.446 5.008 4.527 0.058 0.000 0.320 829 F C 1.607 177.408 175.800 0.002 0.000 1.079 829 F CA 0.223 58.229 58.000 0.011 0.000 1.205 829 F CB 0.099 39.102 39.000 0.005 0.000 1.046 829 F HN 0.430 nan 8.300 nan 0.000 0.586 830 G N 1.142 110.011 108.800 0.117 0.000 2.562 830 G HA2 -0.426 3.569 3.960 0.059 0.000 0.250 830 G HA3 -0.426 3.569 3.960 0.059 0.000 0.250 830 G C 0.793 175.729 174.900 0.059 0.000 1.269 830 G CA 0.316 45.453 45.100 0.062 0.000 0.919 830 G HN 0.206 nan 8.290 nan 0.000 0.574 831 K N 0.147 120.569 120.400 0.036 0.000 2.117 831 K HA -0.231 4.124 4.320 0.059 0.000 0.215 831 K C 2.068 178.685 176.600 0.027 0.000 1.053 831 K CA 3.022 59.323 56.287 0.024 0.000 0.935 831 K CB -0.656 31.856 32.500 0.020 0.000 0.719 831 K HN 0.546 nan 8.250 nan 0.000 0.460 832 D N -0.388 120.038 120.400 0.043 0.000 2.156 832 D HA -0.201 4.474 4.640 0.059 0.000 0.190 832 D C 1.959 178.265 176.300 0.011 0.000 0.998 832 D CA 2.129 56.147 54.000 0.029 0.000 0.842 832 D CB -0.629 40.197 40.800 0.043 0.000 0.974 832 D HN 0.103 nan 8.370 nan 0.000 0.447 833 V N 1.262 121.191 119.914 0.026 0.000 2.511 833 V HA -0.259 3.896 4.120 0.059 0.000 0.257 833 V C 2.451 178.534 176.094 -0.020 0.000 1.088 833 V CA 1.204 63.503 62.300 -0.001 0.000 1.098 833 V CB -0.537 31.312 31.823 0.043 0.000 0.674 833 V HN 0.134 nan 8.190 nan 0.000 0.470 834 L N -0.095 121.122 121.223 -0.010 0.000 2.056 834 L HA -0.112 4.263 4.340 0.059 0.000 0.207 834 L C 2.345 179.210 176.870 -0.008 0.000 1.078 834 L CA 1.991 56.822 54.840 -0.014 0.000 0.749 834 L CB -0.666 41.390 42.059 -0.005 0.000 0.901 834 L HN 0.183 nan 8.230 nan 0.000 0.433 835 K N -0.915 119.482 120.400 -0.005 0.000 2.148 835 K HA -0.094 4.261 4.320 0.059 0.000 0.204 835 K C 1.973 178.567 176.600 -0.010 0.000 1.050 835 K CA 1.297 57.583 56.287 -0.002 0.000 0.942 835 K CB -0.095 32.404 32.500 -0.002 0.000 0.724 835 K HN 0.366 nan 8.250 nan 0.000 0.446 836 L N -0.125 121.083 121.223 -0.025 0.000 2.240 836 L HA -0.087 4.288 4.340 0.059 0.000 0.211 836 L C 2.000 178.840 176.870 -0.050 0.000 1.106 836 L CA 0.342 55.160 54.840 -0.038 0.000 0.793 836 L CB -0.012 42.013 42.059 -0.056 0.000 0.927 836 L HN -0.032 nan 8.230 nan 0.000 0.446 837 V N -0.444 119.432 119.914 -0.063 0.000 2.535 837 V HA -0.134 4.021 4.120 0.059 0.000 0.246 837 V C 1.986 178.022 176.094 -0.096 0.000 1.045 837 V CA 1.239 63.470 62.300 -0.115 0.000 1.058 837 V CB -0.249 31.476 31.823 -0.164 0.000 0.689 837 V HN 0.407 nan 8.190 nan 0.000 0.461 838 E N 0.391 120.595 120.200 0.007 0.000 2.482 838 E HA 0.037 4.422 4.350 0.059 0.000 0.196 838 E C 2.078 178.731 176.600 0.088 0.000 1.047 838 E CA 0.763 57.248 56.400 0.142 0.000 0.869 838 E CB -0.039 29.749 29.700 0.147 0.000 0.836 838 E HN 0.611 nan 8.360 nan 0.000 0.520 839 A N 1.429 124.268 122.820 0.032 0.000 1.878 839 A HA 0.007 4.362 4.320 0.059 0.000 0.213 839 A C 1.215 178.813 177.584 0.024 0.000 1.192 839 A CA 0.365 52.416 52.037 0.023 0.000 0.619 839 A CB 0.073 19.076 19.000 0.005 0.000 0.837 839 A HN 0.015 nan 8.150 nan 0.000 0.446 840 R N 0.883 121.385 120.500 0.003 0.000 2.308 840 R HA 0.197 4.572 4.340 0.059 0.000 0.325 840 R C -1.877 174.433 176.300 0.017 0.000 1.161 840 R CA -1.593 54.505 56.100 -0.002 0.000 1.022 840 R CB 0.592 30.870 30.300 -0.036 0.000 1.091 840 R HN 0.388 nan 8.270 nan 0.000 0.497 841 P HA -0.216 nan 4.420 nan 0.000 0.215 841 P C 1.063 178.408 177.300 0.076 0.000 1.157 841 P CA 1.275 64.436 63.100 0.103 0.000 0.868 841 P CB 0.163 31.902 31.700 0.066 0.000 0.788 842 M N -0.926 118.691 119.600 0.028 0.000 2.331 842 M HA -0.121 4.394 4.480 0.059 0.000 0.260 842 M C 2.227 178.521 176.300 -0.011 0.000 1.072 842 M CA 1.090 56.397 55.300 0.011 0.000 1.065 842 M CB -1.477 31.119 32.600 -0.007 0.000 1.392 842 M HN 0.015 nan 8.290 nan 0.000 0.427 843 I N -1.722 118.817 120.570 -0.052 0.000 2.439 843 I HA -0.267 3.938 4.170 0.059 0.000 0.251 843 I C 2.404 178.451 176.117 -0.116 0.000 1.139 843 I CA 0.687 61.916 61.300 -0.117 0.000 1.438 843 I CB -0.531 37.357 38.000 -0.187 0.000 1.085 843 I HN 0.300 nan 8.210 nan 0.000 0.427 844 H N 1.112 120.164 119.070 -0.030 0.000 2.357 844 H HA -0.101 4.490 4.556 0.058 0.000 0.301 844 H C 1.955 177.271 175.328 -0.020 0.000 1.082 844 H CA 1.349 57.381 56.048 -0.026 0.000 1.342 844 H CB 0.069 29.818 29.762 -0.021 0.000 1.389 844 H HN 0.441 nan 8.280 nan 0.000 0.511 845 E N 0.139 120.404 120.200 0.108 0.000 2.152 845 E HA -0.107 4.278 4.350 0.059 0.000 0.192 845 E C 2.195 178.817 176.600 0.036 0.000 0.983 845 E CA 0.228 56.666 56.400 0.062 0.000 0.818 845 E CB 0.043 29.774 29.700 0.051 0.000 0.758 845 E HN 0.116 nan 8.360 nan 0.000 0.467 846 L N 1.087 122.316 121.223 0.009 0.000 2.017 846 L HA -0.141 4.234 4.340 0.059 0.000 0.208 846 L C 1.943 178.790 176.870 -0.037 0.000 1.073 846 L CA 1.601 56.419 54.840 -0.037 0.000 0.745 846 L CB -0.506 41.494 42.059 -0.099 0.000 0.894 846 L HN 0.106 nan 8.230 nan 0.000 0.432 847 L N -1.017 120.191 121.223 -0.026 0.000 2.093 847 L HA -0.185 4.190 4.340 0.059 0.000 0.208 847 L C 2.319 179.196 176.870 0.013 0.000 1.085 847 L CA 1.538 56.371 54.840 -0.012 0.000 0.755 847 L CB -0.964 41.087 42.059 -0.014 0.000 0.904 847 L HN 0.301 nan 8.230 nan 0.000 0.435 848 T N -0.848 113.723 114.554 0.029 0.000 2.674 848 T HA -0.264 4.121 4.350 0.059 0.000 0.265 848 T C 1.751 176.464 174.700 0.022 0.000 1.039 848 T CA 1.691 63.809 62.100 0.031 0.000 1.150 848 T CB -0.162 68.728 68.868 0.036 0.000 0.864 848 T HN 0.401 nan 8.240 nan 0.000 0.427 849 E N 0.612 120.824 120.200 0.020 0.000 2.097 849 E HA -0.156 4.229 4.350 0.059 0.000 0.196 849 E C 2.418 179.025 176.600 0.011 0.000 1.000 849 E CA 1.392 57.805 56.400 0.021 0.000 0.804 849 E CB -0.566 29.153 29.700 0.031 0.000 0.740 849 E HN 0.507 nan 8.360 nan 0.000 0.454 850 G N 0.674 109.474 108.800 -0.001 0.000 2.446 850 G HA2 -0.291 3.705 3.960 0.059 0.000 0.217 850 G HA3 -0.291 3.705 3.960 0.059 0.000 0.217 850 G C 1.652 176.561 174.900 0.015 0.000 1.168 850 G CA 0.815 45.916 45.100 0.001 0.000 0.771 850 G HN 0.201 nan 8.290 nan 0.000 0.551 851 R N -0.107 120.405 120.500 0.020 0.000 2.139 851 R HA -0.046 4.329 4.340 0.059 0.000 0.243 851 R C 2.771 179.083 176.300 0.021 0.000 1.145 851 R CA 1.278 57.393 56.100 0.024 0.000 0.976 851 R CB -0.145 30.169 30.300 0.024 0.000 0.866 851 R HN 0.343 nan 8.270 nan 0.000 0.449 852 R N -0.002 120.509 120.500 0.019 0.000 2.060 852 R HA 0.034 4.409 4.340 0.059 0.000 0.218 852 R C 0.849 177.159 176.300 0.017 0.000 1.200 852 R CA 0.548 56.659 56.100 0.018 0.000 0.935 852 R CB -0.604 29.707 30.300 0.018 0.000 0.814 852 R HN 0.028 nan 8.270 nan 0.000 0.460 853 S N 1.058 116.768 115.700 0.017 0.000 3.954 853 S HA -0.196 4.309 4.470 0.059 0.000 0.469 853 S C 0.464 175.073 174.600 0.015 0.000 1.092 853 S CA 0.534 58.744 58.200 0.017 0.000 0.837 853 S CB 0.184 63.392 63.200 0.013 0.000 0.854 853 S HN 0.301 nan 8.310 nan 0.000 0.435 854 K N 2.794 123.203 120.400 0.015 0.000 2.522 854 K HA 0.035 4.390 4.320 0.059 0.000 0.194 854 K C 0.196 176.803 176.600 0.012 0.000 1.026 854 K CA 0.321 56.616 56.287 0.014 0.000 1.119 854 K CB -0.057 32.452 32.500 0.014 0.000 0.856 854 K HN 0.503 nan 8.250 nan 0.000 0.513 855 T N 2.013 116.573 114.554 0.011 0.000 2.891 855 T HA 0.125 4.511 4.350 0.059 0.000 0.315 855 T C 0.836 175.541 174.700 0.007 0.000 1.054 855 T CA -0.525 61.581 62.100 0.009 0.000 0.958 855 T CB 0.584 69.456 68.868 0.007 0.000 1.008 855 T HN 0.153 nan 8.240 nan 0.000 0.521 856 N N 2.897 121.601 118.700 0.007 0.000 2.111 856 N HA -0.182 4.593 4.740 0.059 0.000 0.197 856 N C 1.767 177.279 175.510 0.003 0.000 1.011 856 N CA 1.354 54.408 53.050 0.006 0.000 0.880 856 N CB 0.082 38.571 38.487 0.003 0.000 1.031 856 N HN 0.401 nan 8.380 nan 0.000 0.444 857 K N 0.858 121.257 120.400 -0.002 0.000 2.155 857 K HA 0.096 4.451 4.320 0.059 0.000 0.203 857 K C 1.984 178.585 176.600 0.001 0.000 1.052 857 K CA 0.702 56.984 56.287 -0.008 0.000 0.948 857 K CB -0.453 32.039 32.500 -0.014 0.000 0.728 857 K HN 0.185 nan 8.250 nan 0.000 0.448 858 A N 1.792 124.613 122.820 0.003 0.000 1.969 858 A HA -0.157 4.198 4.320 0.059 0.000 0.218 858 A C 2.229 179.823 177.584 0.016 0.000 1.169 858 A CA 1.569 53.609 52.037 0.004 0.000 0.635 858 A CB -0.244 18.755 19.000 -0.001 0.000 0.810 858 A HN 0.291 nan 8.150 nan 0.000 0.445 859 K N -0.765 119.647 120.400 0.019 0.000 1.991 859 K HA -0.101 4.254 4.320 0.059 0.000 0.207 859 K C 2.039 178.667 176.600 0.046 0.000 1.045 859 K CA 1.729 58.033 56.287 0.029 0.000 0.937 859 K CB -0.519 31.995 32.500 0.024 0.000 0.720 859 K HN 0.357 nan 8.250 nan 0.000 0.438 860 T N 2.646 117.222 114.554 0.038 0.000 2.592 860 T HA -0.220 4.165 4.350 0.059 0.000 0.267 860 T C 1.871 176.632 174.700 0.103 0.000 1.060 860 T CA 2.029 64.159 62.100 0.049 0.000 1.167 860 T CB -0.359 68.512 68.868 0.005 0.000 0.863 860 T HN 0.195 nan 8.240 nan 0.000 0.431 861 L N 0.472 121.745 121.223 0.084 0.000 2.141 861 L HA -0.042 4.333 4.340 0.059 0.000 0.209 861 L C 2.989 179.981 176.870 0.204 0.000 1.094 861 L CA 1.099 56.036 54.840 0.162 0.000 0.763 861 L CB -0.618 41.494 42.059 0.090 0.000 0.908 861 L HN 0.274 nan 8.230 nan 0.000 0.437 862 A N -0.037 122.850 122.820 0.112 0.000 1.968 862 A HA -0.178 4.178 4.320 0.059 0.000 0.217 862 A C 2.449 180.082 177.584 0.082 0.000 1.169 862 A CA 1.205 53.288 52.037 0.076 0.000 0.638 862 A CB -0.437 18.585 19.000 0.036 0.000 0.812 862 A HN 0.354 nan 8.150 nan 0.000 0.446 863 R N -1.944 118.619 120.500 0.106 0.000 2.093 863 R HA -0.147 4.228 4.340 0.059 0.000 0.224 863 R C 1.943 178.326 176.300 0.138 0.000 1.101 863 R CA 1.492 57.651 56.100 0.098 0.000 0.979 863 R CB -0.367 29.988 30.300 0.091 0.000 0.877 863 R HN 0.656 nan 8.270 nan 0.000 0.441 864 W N 1.097 122.394 121.300 -0.004 0.000 2.407 864 W HA 0.014 4.710 4.660 0.058 0.000 0.305 864 W C 2.018 178.535 176.519 -0.004 0.000 1.196 864 W CA 1.829 59.172 57.345 -0.003 0.000 1.311 864 W CB -0.452 29.006 29.460 -0.005 0.000 1.135 864 W HN 0.165 nan 8.180 nan 0.000 0.514 865 A N -0.106 122.713 122.820 -0.001 0.000 1.940 865 A HA -0.211 4.144 4.320 0.059 0.000 0.219 865 A C 1.892 179.335 177.584 -0.235 0.000 1.176 865 A CA 2.548 54.435 52.037 -0.250 0.000 0.631 865 A CB -1.365 17.615 19.000 -0.032 0.000 0.814 865 A HN 0.333 nan 8.150 nan 0.000 0.446 866 T N -0.349 114.140 114.554 -0.109 0.000 2.746 866 T HA -0.147 4.238 4.350 0.059 0.000 0.267 866 T C 1.969 176.604 174.700 -0.109 0.000 1.039 866 T CA 1.612 63.667 62.100 -0.075 0.000 1.142 866 T CB -0.183 68.676 68.868 -0.014 0.000 0.866 866 T HN 0.656 nan 8.240 nan 0.000 0.444 867 K N 0.862 121.180 120.400 -0.136 0.000 2.026 867 K HA -0.169 4.186 4.320 0.059 0.000 0.208 867 K C 2.182 178.653 176.600 -0.215 0.000 1.048 867 K CA 1.289 57.492 56.287 -0.139 0.000 0.929 867 K CB 0.001 32.435 32.500 -0.110 0.000 0.713 867 K HN 0.131 nan 8.250 nan 0.000 0.439 868 E N 1.116 121.081 120.200 -0.392 0.000 2.051 868 E HA -0.174 4.211 4.350 0.059 0.000 0.192 868 E C 2.177 178.641 176.600 -0.226 0.000 0.991 868 E CA 1.080 57.246 56.400 -0.390 0.000 0.799 868 E CB -0.325 28.975 29.700 -0.665 0.000 0.748 868 E HN 0.380 nan 8.360 nan 0.000 0.449 869 L N 0.442 121.547 121.223 -0.196 0.000 2.079 869 L HA -0.145 4.230 4.340 0.059 0.000 0.210 869 L C 2.790 179.618 176.870 -0.070 0.000 1.081 869 L CA 1.090 55.862 54.840 -0.113 0.000 0.752 869 L CB -0.390 41.613 42.059 -0.093 0.000 0.896 869 L HN 0.070 nan 8.230 nan 0.000 0.433 870 R N 0.714 121.172 120.500 -0.070 0.000 2.096 870 R HA -0.157 4.218 4.340 0.059 0.000 0.235 870 R C 2.197 178.470 176.300 -0.044 0.000 1.127 870 R CA 1.300 57.375 56.100 -0.042 0.000 0.968 870 R CB 0.034 30.310 30.300 -0.039 0.000 0.861 870 R HN 0.328 nan 8.270 nan 0.000 0.440 871 K N 0.273 120.634 120.400 -0.065 0.000 2.217 871 K HA -0.069 4.286 4.320 0.059 0.000 0.202 871 K C 2.087 178.663 176.600 -0.040 0.000 1.051 871 K CA 0.852 57.108 56.287 -0.052 0.000 0.952 871 K CB 0.008 32.469 32.500 -0.065 0.000 0.736 871 K HN 0.245 nan 8.250 nan 0.000 0.453 872 L N 1.095 122.291 121.223 -0.046 0.000 2.056 872 L HA -0.190 4.185 4.340 0.059 0.000 0.207 872 L C 2.162 179.023 176.870 -0.016 0.000 1.078 872 L CA 1.370 56.193 54.840 -0.028 0.000 0.749 872 L CB -0.362 41.679 42.059 -0.029 0.000 0.901 872 L HN 0.146 nan 8.230 nan 0.000 0.433 873 K N 0.257 120.648 120.400 -0.015 0.000 1.991 873 K HA -0.127 4.228 4.320 0.059 0.000 0.212 873 K C 1.359 177.955 176.600 -0.007 0.000 1.049 873 K CA 1.406 57.689 56.287 -0.007 0.000 0.932 873 K CB -0.315 32.183 32.500 -0.004 0.000 0.717 873 K HN 0.265 nan 8.250 nan 0.000 0.441 874 N N 1.477 120.171 118.700 -0.010 0.000 2.535 874 N HA -0.099 4.676 4.740 0.059 0.000 0.203 874 N C 1.107 176.613 175.510 -0.008 0.000 1.301 874 N CA 0.516 53.561 53.050 -0.009 0.000 0.859 874 N CB 0.365 38.846 38.487 -0.010 0.000 1.055 874 N HN 0.388 nan 8.380 nan 0.000 0.457 875 Q N 0.195 119.991 119.800 -0.007 0.000 2.178 875 Q HA 0.280 4.655 4.340 0.059 0.000 0.197 875 Q C 0.054 176.053 176.000 -0.001 0.000 0.998 875 Q CA 0.254 56.054 55.803 -0.005 0.000 0.845 875 Q CB 0.400 29.134 28.738 -0.006 0.000 0.943 875 Q HN 0.182 nan 8.270 nan 0.000 0.514 876 A N 0.000 122.820 122.820 0.000 0.000 2.254 876 A HA 0.000 4.355 4.320 0.059 0.000 0.244 876 A CA 0.000 52.039 52.037 0.003 0.000 0.836 876 A CB 0.000 19.003 19.000 0.005 0.000 0.831 876 A HN 0.000 nan 8.150 nan 0.000 0.486