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 1xwo_1_C DATA FIRST_RESID 16 DATA SEQUENCE STDPIMQMLS TSMSTEQRLS EVDIQASIAY AKALEKAGIL TKTELEKILS DATA SEQUENCE GLEKISEEWS KGVFVVTQSD EDIHTANERR LKELIGDIAG KLNTGRSRNE DATA SEQUENCE QVVTDLKLFM KNSLSVISTH LLQLIKTLVE RAAIEIDVIL PGYTHLQKAQ DATA SEQUENCE PIRWSQFLLS HAVALTRDSE RLGEVKRRIN VLPLGSGALA GNPLDIDREM DATA SEQUENCE LRSELDFASI SLNSMDAISE RDFVVEFLSV ATLLMIHLSK MAEDLIIYST DATA SEQUENCE SEFGFLTLSD AFSTGSSLMP QKKNPDSLEL IRSKAGRVFG RLASILMVLK DATA SEQUENCE GLPSTYNKDL QEDKEAVFDV VDTLTAVLQV ATGVISTLQI SKENMEKALT DATA SEQUENCE PEMLSTDLAL YLVRKGMPFR QAHTASGKAV HLAETKGITI NNLTLEDLKS DATA SEQUENCE ISPLFSSDVS QVFNFVNSVE QYTAMGGTAK SSVTTQIEHL RELMKKQKE 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.602 174.600 0.003 0.000 1.055 16 S CA 0.000 58.201 58.200 0.002 0.000 1.107 16 S CB 0.000 63.201 63.200 0.002 0.000 0.593 17 T N -1.400 113.156 114.554 0.004 0.000 3.313 17 T HA 0.386 4.737 4.350 0.001 0.000 0.333 17 T C 0.073 174.776 174.700 0.006 0.000 0.904 17 T CA -0.613 61.490 62.100 0.005 0.000 1.079 17 T CB 1.343 70.214 68.868 0.004 0.000 1.017 17 T HN 0.192 nan 8.240 nan 0.000 0.471 18 D N 3.517 123.920 120.400 0.007 0.000 2.110 18 D HA 0.037 4.678 4.640 0.001 0.000 0.202 18 D C -0.176 176.129 176.300 0.010 0.000 0.975 18 D CA 0.848 54.853 54.000 0.008 0.000 0.839 18 D CB -0.362 40.443 40.800 0.008 0.000 0.996 18 D HN 0.428 nan 8.370 nan 0.000 0.464 19 P HA -0.101 nan 4.420 nan 0.000 0.221 19 P C 1.624 178.931 177.300 0.011 0.000 1.145 19 P CA 1.001 64.108 63.100 0.011 0.000 0.795 19 P CB -0.023 31.683 31.700 0.010 0.000 0.775 20 I N -0.876 119.699 120.570 0.009 0.000 2.584 20 I HA -0.110 4.061 4.170 0.001 0.000 0.255 20 I C 2.597 178.719 176.117 0.008 0.000 1.145 20 I CA 0.778 62.083 61.300 0.008 0.000 1.462 20 I CB -0.433 37.571 38.000 0.006 0.000 1.102 20 I HN -0.084 nan 8.210 nan 0.000 0.433 21 M N 0.925 120.530 119.600 0.009 0.000 2.267 21 M HA -0.247 4.233 4.480 0.001 0.000 0.263 21 M C 1.841 178.148 176.300 0.012 0.000 1.063 21 M CA 1.913 57.218 55.300 0.009 0.000 1.090 21 M CB -0.427 32.179 32.600 0.010 0.000 1.392 21 M HN 0.124 nan 8.290 nan 0.000 0.422 22 Q N -0.544 119.264 119.800 0.014 0.000 2.432 22 Q HA 0.097 4.437 4.340 0.001 0.000 0.205 22 Q C 1.854 177.864 176.000 0.017 0.000 0.945 22 Q CA 0.990 56.804 55.803 0.018 0.000 0.924 22 Q CB -0.169 28.581 28.738 0.019 0.000 1.016 22 Q HN 0.623 nan 8.270 nan 0.000 0.503 23 M N -0.043 119.565 119.600 0.014 0.000 2.419 23 M HA -0.046 4.435 4.480 0.001 0.000 0.264 23 M C 1.581 177.887 176.300 0.011 0.000 1.082 23 M CA 1.064 56.371 55.300 0.013 0.000 1.119 23 M CB 0.060 32.666 32.600 0.011 0.000 1.398 23 M HN 0.244 nan 8.290 nan 0.000 0.453 24 L N -0.639 120.589 121.223 0.008 0.000 2.056 24 L HA -0.034 4.307 4.340 0.001 0.000 0.202 24 L C 2.243 179.117 176.870 0.007 0.000 1.086 24 L CA 1.025 55.868 54.840 0.004 0.000 0.758 24 L CB -1.234 40.825 42.059 -0.000 0.000 0.912 24 L HN 0.245 nan 8.230 nan 0.000 0.446 25 S N -1.373 114.335 115.700 0.013 0.000 2.988 25 S HA -0.022 4.449 4.470 0.001 0.000 0.237 25 S C 0.503 175.118 174.600 0.026 0.000 0.989 25 S CA -0.001 58.212 58.200 0.022 0.000 1.054 25 S CB -0.941 62.278 63.200 0.032 0.000 0.818 25 S HN 0.400 nan 8.310 nan 0.000 0.526 26 T N 0.985 115.551 114.554 0.020 0.000 2.912 26 T HA 0.604 4.955 4.350 0.001 0.000 0.299 26 T C -0.901 173.811 174.700 0.020 0.000 1.052 26 T CA -0.440 61.674 62.100 0.023 0.000 0.996 26 T CB 1.583 70.466 68.868 0.026 0.000 1.070 26 T HN 0.311 nan 8.240 nan 0.000 0.465 27 S N 4.072 119.784 115.700 0.021 0.000 2.552 27 S HA 0.143 4.614 4.470 0.001 0.000 0.183 27 S C 1.268 175.882 174.600 0.023 0.000 0.841 27 S CA -0.659 57.554 58.200 0.022 0.000 1.048 27 S CB -0.095 63.115 63.200 0.018 0.000 1.714 27 S HN 0.604 nan 8.310 nan 0.000 0.488 28 M N 2.312 121.931 119.600 0.032 0.000 2.144 28 M HA -0.136 4.345 4.480 0.001 0.000 0.260 28 M C 2.596 178.918 176.300 0.038 0.000 1.067 28 M CA 2.283 57.610 55.300 0.044 0.000 1.095 28 M CB -1.403 31.242 32.600 0.074 0.000 1.365 28 M HN 0.799 nan 8.290 nan 0.000 0.406 29 S N -1.131 114.592 115.700 0.037 0.000 2.400 29 S HA -0.146 4.325 4.470 0.001 0.000 0.232 29 S C 1.922 176.521 174.600 -0.002 0.000 1.025 29 S CA 1.995 60.212 58.200 0.028 0.000 0.993 29 S CB -0.949 62.269 63.200 0.031 0.000 0.808 29 S HN 0.641 nan 8.310 nan 0.000 0.478 30 T N -0.003 114.560 114.554 0.015 0.000 3.039 30 T HA 0.134 4.485 4.350 0.001 0.000 0.250 30 T C 1.690 176.392 174.700 0.003 0.000 1.052 30 T CA 0.456 62.583 62.100 0.045 0.000 1.125 30 T CB -0.336 68.633 68.868 0.167 0.000 0.908 30 T HN 0.261 nan 8.240 nan 0.000 0.473 31 E N 1.650 121.833 120.200 -0.027 0.000 2.130 31 E HA -0.188 4.163 4.350 0.001 0.000 0.196 31 E C 2.273 178.720 176.600 -0.254 0.000 0.998 31 E CA 1.276 57.614 56.400 -0.103 0.000 0.806 31 E CB -0.319 29.325 29.700 -0.093 0.000 0.738 31 E HN 0.720 nan 8.360 nan 0.000 0.459 32 Q N 0.148 119.779 119.800 -0.281 0.000 2.297 32 Q HA -0.116 4.224 4.340 0.001 0.000 0.208 32 Q C 1.972 177.603 176.000 -0.616 0.000 0.981 32 Q CA 0.739 56.222 55.803 -0.533 0.000 0.876 32 Q CB -0.063 28.483 28.738 -0.321 0.000 0.921 32 Q HN 0.108 nan 8.270 nan 0.000 0.446 33 R N -0.050 120.138 120.500 -0.520 0.000 2.241 33 R HA -0.068 4.272 4.340 0.001 0.000 0.224 33 R C 0.795 176.754 176.300 -0.570 0.000 1.101 33 R CA 0.728 56.447 56.100 -0.635 0.000 0.995 33 R CB 0.032 29.633 30.300 -1.166 0.000 0.870 33 R HN 0.217 nan 8.270 nan 0.000 0.463 34 L N 0.976 121.902 121.223 -0.494 0.000 2.741 34 L HA 0.123 4.464 4.340 0.001 0.000 0.237 34 L C 1.955 178.586 176.870 -0.399 0.000 1.178 34 L CA 0.367 54.995 54.840 -0.353 0.000 0.973 34 L CB -0.672 41.241 42.059 -0.243 0.000 1.255 34 L HN 0.060 nan 8.230 nan 0.000 0.498 35 S N 0.172 115.474 115.700 -0.664 0.000 2.354 35 S HA -0.263 4.208 4.470 0.001 0.000 0.219 35 S C 1.840 176.203 174.600 -0.396 0.000 1.035 35 S CA 1.511 59.199 58.200 -0.854 0.000 1.037 35 S CB -0.209 61.862 63.200 -1.881 0.000 0.956 35 S HN 0.348 nan 8.310 nan 0.000 0.428 36 E N 1.550 121.582 120.200 -0.279 0.000 2.038 36 E HA -0.133 4.218 4.350 0.001 0.000 0.195 36 E C 2.176 178.753 176.600 -0.039 0.000 1.000 36 E CA 1.915 58.257 56.400 -0.097 0.000 0.803 36 E CB -0.830 28.838 29.700 -0.052 0.000 0.750 36 E HN 0.586 nan 8.360 nan 0.000 0.448 37 V N -0.100 119.799 119.914 -0.024 0.000 2.332 37 V HA -0.271 3.850 4.120 0.001 0.000 0.248 37 V C 2.204 178.314 176.094 0.027 0.000 1.055 37 V CA 2.346 64.666 62.300 0.032 0.000 1.038 37 V CB -1.172 30.701 31.823 0.083 0.000 0.651 37 V HN 0.263 nan 8.190 nan 0.000 0.450 38 D N 0.924 121.318 120.400 -0.011 0.000 2.092 38 D HA -0.199 4.442 4.640 0.001 0.000 0.193 38 D C 1.913 178.239 176.300 0.043 0.000 0.994 38 D CA 2.330 56.345 54.000 0.026 0.000 0.828 38 D CB -0.360 40.432 40.800 -0.014 0.000 0.963 38 D HN 0.517 nan 8.370 nan 0.000 0.450 39 I N 0.073 120.661 120.570 0.029 0.000 2.361 39 I HA -0.234 3.936 4.170 0.001 0.000 0.251 39 I C 2.374 178.527 176.117 0.060 0.000 1.133 39 I CA 0.715 62.050 61.300 0.059 0.000 1.413 39 I CB -0.405 37.637 38.000 0.071 0.000 1.073 39 I HN 0.175 nan 8.210 nan 0.000 0.424 40 Q N 0.803 120.634 119.800 0.051 0.000 2.061 40 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 40 Q C 2.483 178.523 176.000 0.067 0.000 0.984 40 Q CA 2.072 57.910 55.803 0.059 0.000 0.846 40 Q CB -0.419 28.356 28.738 0.061 0.000 0.902 40 Q HN 0.592 nan 8.270 nan 0.000 0.421 41 A N 0.138 122.994 122.820 0.060 0.000 1.929 41 A HA -0.069 4.252 4.320 0.001 0.000 0.216 41 A C 2.443 180.071 177.584 0.073 0.000 1.176 41 A CA 1.372 53.439 52.037 0.050 0.000 0.628 41 A CB -0.337 18.667 19.000 0.007 0.000 0.816 41 A HN 0.290 nan 8.150 nan 0.000 0.444 42 S N -0.007 115.735 115.700 0.071 0.000 2.383 42 S HA -0.119 4.352 4.470 0.001 0.000 0.229 42 S C 1.786 176.462 174.600 0.127 0.000 1.030 42 S CA 1.485 59.745 58.200 0.102 0.000 1.002 42 S CB -0.449 62.804 63.200 0.089 0.000 0.829 42 S HN 0.559 nan 8.310 nan 0.000 0.467 43 I N 1.474 122.102 120.570 0.095 0.000 2.202 43 I HA -0.179 3.992 4.170 0.001 0.000 0.242 43 I C 2.733 178.900 176.117 0.082 0.000 1.091 43 I CA 1.079 62.427 61.300 0.080 0.000 1.368 43 I CB -0.577 37.462 38.000 0.065 0.000 1.058 43 I HN 0.262 nan 8.210 nan 0.000 0.410 44 A N 0.017 122.890 122.820 0.090 0.000 1.940 44 A HA -0.289 4.032 4.320 0.001 0.000 0.219 44 A C 2.292 179.943 177.584 0.112 0.000 1.176 44 A CA 1.639 53.727 52.037 0.085 0.000 0.631 44 A CB -1.019 18.029 19.000 0.080 0.000 0.814 44 A HN 0.542 nan 8.150 nan 0.000 0.446 45 Y N -0.159 120.135 120.300 -0.010 0.000 2.206 45 Y HA 0.053 4.604 4.550 0.002 0.000 0.292 45 Y C 2.728 178.622 175.900 -0.011 0.000 1.123 45 Y CA 1.005 59.094 58.100 -0.018 0.000 1.142 45 Y CB -0.237 38.209 38.460 -0.023 0.000 1.006 45 Y HN 0.342 nan 8.280 nan 0.000 0.518 46 A N 0.856 123.726 122.820 0.083 0.000 1.873 46 A HA -0.278 4.043 4.320 0.001 0.000 0.218 46 A C 2.133 179.676 177.584 -0.068 0.000 1.193 46 A CA 2.321 54.355 52.037 -0.005 0.000 0.629 46 A CB -0.686 18.342 19.000 0.046 0.000 0.826 46 A HN 0.504 nan 8.150 nan 0.000 0.447 47 K N -0.491 119.891 120.400 -0.030 0.000 2.074 47 K HA -0.166 4.155 4.320 0.001 0.000 0.209 47 K C 2.214 178.766 176.600 -0.080 0.000 1.048 47 K CA 1.345 57.608 56.287 -0.039 0.000 0.926 47 K CB -0.371 32.122 32.500 -0.011 0.000 0.713 47 K HN 0.484 nan 8.250 nan 0.000 0.444 48 A N 0.903 123.648 122.820 -0.125 0.000 2.014 48 A HA -0.086 4.235 4.320 0.001 0.000 0.218 48 A C 2.012 179.460 177.584 -0.226 0.000 1.163 48 A CA 0.854 52.794 52.037 -0.162 0.000 0.652 48 A CB -0.262 18.634 19.000 -0.174 0.000 0.808 48 A HN 0.110 nan 8.150 nan 0.000 0.449 49 L N -0.160 120.876 121.223 -0.311 0.000 2.093 49 L HA -0.111 4.229 4.340 0.001 0.000 0.208 49 L C 2.430 179.211 176.870 -0.148 0.000 1.085 49 L CA 2.002 56.672 54.840 -0.284 0.000 0.755 49 L CB -0.449 41.435 42.059 -0.291 0.000 0.904 49 L HN 0.494 nan 8.230 nan 0.000 0.435 50 E N -0.237 119.897 120.200 -0.110 0.000 2.107 50 E HA -0.232 4.119 4.350 0.001 0.000 0.191 50 E C 2.015 178.578 176.600 -0.061 0.000 0.982 50 E CA 0.781 57.141 56.400 -0.067 0.000 0.809 50 E CB 0.013 29.685 29.700 -0.047 0.000 0.756 50 E HN 0.267 nan 8.360 nan 0.000 0.459 51 K N 0.205 120.563 120.400 -0.070 0.000 2.442 51 K HA -0.019 4.302 4.320 0.001 0.000 0.198 51 K C 1.388 177.953 176.600 -0.058 0.000 1.042 51 K CA 0.835 57.089 56.287 -0.056 0.000 0.958 51 K CB 0.031 32.498 32.500 -0.055 0.000 0.766 51 K HN 0.099 nan 8.250 nan 0.000 0.474 52 A N -0.658 122.117 122.820 -0.075 0.000 2.220 52 A HA 0.279 4.600 4.320 0.001 0.000 0.211 52 A C 1.346 178.899 177.584 -0.053 0.000 1.176 52 A CA 0.925 52.921 52.037 -0.068 0.000 0.834 52 A CB 0.167 19.111 19.000 -0.093 0.000 0.868 52 A HN 0.390 nan 8.150 nan 0.000 0.488 53 G N -0.750 108.019 108.800 -0.051 0.000 2.213 53 G HA2 -0.253 3.708 3.960 0.001 0.000 0.236 53 G HA3 -0.253 3.708 3.960 0.001 0.000 0.236 53 G C 0.720 175.598 174.900 -0.037 0.000 0.991 53 G CA 0.429 45.507 45.100 -0.037 0.000 0.629 53 G HN 0.363 nan 8.290 nan 0.000 0.517 54 I N 0.645 121.185 120.570 -0.049 0.000 2.614 54 I HA 0.215 4.386 4.170 0.001 0.000 0.258 54 I C 1.185 177.281 176.117 -0.034 0.000 1.189 54 I CA 1.260 62.534 61.300 -0.042 0.000 1.462 54 I CB -0.018 37.949 38.000 -0.055 0.000 1.092 54 I HN 0.257 nan 8.210 nan 0.000 0.442 55 L N -0.197 121.002 121.223 -0.040 0.000 2.410 55 L HA 0.345 4.686 4.340 0.001 0.000 0.270 55 L C 0.299 177.155 176.870 -0.023 0.000 0.983 55 L CA -0.778 54.045 54.840 -0.028 0.000 0.822 55 L CB 1.935 43.974 42.059 -0.032 0.000 1.285 55 L HN 0.010 nan 8.230 nan 0.000 0.409 56 T N -1.409 113.137 114.554 -0.015 0.000 2.868 56 T HA 0.179 4.529 4.350 0.001 0.000 0.292 56 T C 1.023 175.717 174.700 -0.011 0.000 1.028 56 T CA -0.436 61.657 62.100 -0.012 0.000 1.059 56 T CB 1.140 70.004 68.868 -0.007 0.000 0.991 56 T HN 0.612 nan 8.240 nan 0.000 0.531 57 K N 0.784 121.178 120.400 -0.010 0.000 2.113 57 K HA -0.140 4.181 4.320 0.001 0.000 0.208 57 K C 2.398 178.996 176.600 -0.003 0.000 1.047 57 K CA 2.106 58.388 56.287 -0.007 0.000 0.928 57 K CB -0.572 31.925 32.500 -0.006 0.000 0.716 57 K HN 0.714 nan 8.250 nan 0.000 0.446 58 T N 0.751 115.304 114.554 -0.002 0.000 2.857 58 T HA -0.083 4.267 4.350 0.001 0.000 0.266 58 T C 1.538 176.240 174.700 0.003 0.000 1.048 58 T CA 1.008 63.109 62.100 0.001 0.000 1.139 58 T CB -0.047 68.821 68.868 0.001 0.000 0.874 58 T HN 0.309 nan 8.240 nan 0.000 0.455 59 E N 0.590 120.791 120.200 0.001 0.000 2.072 59 E HA -0.075 4.275 4.350 0.001 0.000 0.191 59 E C 2.113 178.717 176.600 0.006 0.000 0.985 59 E CA 0.688 57.091 56.400 0.004 0.000 0.801 59 E CB -0.214 29.486 29.700 0.001 0.000 0.750 59 E HN 0.233 nan 8.360 nan 0.000 0.452 60 L N 1.708 122.932 121.223 0.002 0.000 1.976 60 L HA -0.221 4.120 4.340 0.001 0.000 0.209 60 L C 2.352 179.229 176.870 0.011 0.000 1.071 60 L CA 1.981 56.823 54.840 0.003 0.000 0.746 60 L CB -0.405 41.651 42.059 -0.005 0.000 0.890 60 L HN 0.075 nan 8.230 nan 0.000 0.432 61 E N -0.579 119.626 120.200 0.009 0.000 2.187 61 E HA -0.310 4.041 4.350 0.001 0.000 0.199 61 E C 2.166 178.776 176.600 0.017 0.000 1.004 61 E CA 1.591 57.998 56.400 0.012 0.000 0.813 61 E CB -0.048 29.658 29.700 0.009 0.000 0.736 61 E HN 0.521 nan 8.360 nan 0.000 0.468 62 K N -0.003 120.407 120.400 0.016 0.000 2.076 62 K HA -0.047 4.273 4.320 0.001 0.000 0.204 62 K C 2.250 178.866 176.600 0.027 0.000 1.051 62 K CA 0.978 57.277 56.287 0.020 0.000 0.949 62 K CB -0.020 32.489 32.500 0.017 0.000 0.726 62 K HN 0.202 nan 8.250 nan 0.000 0.443 63 I N 1.361 121.948 120.570 0.029 0.000 2.286 63 I HA -0.282 3.889 4.170 0.001 0.000 0.248 63 I C 2.054 178.198 176.117 0.045 0.000 1.115 63 I CA 1.060 62.384 61.300 0.039 0.000 1.392 63 I CB -0.180 37.844 38.000 0.040 0.000 1.065 63 I HN 0.135 nan 8.210 nan 0.000 0.418 64 L N -0.322 120.924 121.223 0.038 0.000 2.156 64 L HA -0.150 4.191 4.340 0.001 0.000 0.208 64 L C 2.706 179.601 176.870 0.042 0.000 1.095 64 L CA 1.187 56.051 54.840 0.041 0.000 0.770 64 L CB -0.612 41.466 42.059 0.032 0.000 0.914 64 L HN 0.267 nan 8.230 nan 0.000 0.439 65 S N 0.306 116.028 115.700 0.036 0.000 2.387 65 S HA -0.090 4.381 4.470 0.001 0.000 0.226 65 S C 2.004 176.630 174.600 0.043 0.000 1.026 65 S CA 1.262 59.483 58.200 0.035 0.000 0.972 65 S CB -0.257 62.959 63.200 0.027 0.000 0.814 65 S HN 0.468 nan 8.310 nan 0.000 0.477 66 G N 1.803 110.630 108.800 0.046 0.000 2.404 66 G HA2 -0.086 3.875 3.960 0.001 0.000 0.215 66 G HA3 -0.086 3.875 3.960 0.001 0.000 0.215 66 G C 1.309 176.254 174.900 0.075 0.000 1.174 66 G CA 0.884 46.017 45.100 0.056 0.000 0.780 66 G HN 0.454 nan 8.290 nan 0.000 0.537 67 L N 1.052 122.322 121.223 0.077 0.000 2.079 67 L HA -0.052 4.289 4.340 0.001 0.000 0.210 67 L C 2.724 179.651 176.870 0.095 0.000 1.081 67 L CA 1.521 56.416 54.840 0.093 0.000 0.752 67 L CB -1.104 41.004 42.059 0.083 0.000 0.896 67 L HN 0.388 nan 8.230 nan 0.000 0.433 68 E N -0.859 119.386 120.200 0.076 0.000 2.150 68 E HA -0.205 4.146 4.350 0.001 0.000 0.193 68 E C 2.111 178.760 176.600 0.081 0.000 0.985 68 E CA 0.877 57.320 56.400 0.072 0.000 0.814 68 E CB -0.041 29.692 29.700 0.054 0.000 0.752 68 E HN 0.447 nan 8.360 nan 0.000 0.466 69 K N 0.386 120.832 120.400 0.077 0.000 2.155 69 K HA -0.030 4.291 4.320 0.001 0.000 0.203 69 K C 2.002 178.666 176.600 0.106 0.000 1.052 69 K CA 0.769 57.100 56.287 0.073 0.000 0.948 69 K CB 0.094 32.626 32.500 0.053 0.000 0.728 69 K HN 0.136 nan 8.250 nan 0.000 0.448 70 I N 0.125 120.781 120.570 0.142 0.000 2.500 70 I HA -0.195 3.976 4.170 0.001 0.000 0.252 70 I C 2.467 178.744 176.117 0.267 0.000 1.142 70 I CA 0.563 61.993 61.300 0.216 0.000 1.451 70 I CB -0.158 37.991 38.000 0.249 0.000 1.093 70 I HN 0.111 nan 8.210 nan 0.000 0.430 71 S N 0.769 116.594 115.700 0.209 0.000 2.356 71 S HA -0.181 4.290 4.470 0.001 0.000 0.223 71 S C 1.982 176.699 174.600 0.194 0.000 1.032 71 S CA 1.431 59.750 58.200 0.199 0.000 1.005 71 S CB -0.093 63.180 63.200 0.123 0.000 0.867 71 S HN 0.337 nan 8.310 nan 0.000 0.449 72 E N 1.071 121.356 120.200 0.142 0.000 2.106 72 E HA -0.092 4.259 4.350 0.001 0.000 0.192 72 E C 2.072 178.749 176.600 0.129 0.000 0.984 72 E CA 0.844 57.313 56.400 0.116 0.000 0.806 72 E CB -0.446 29.301 29.700 0.078 0.000 0.750 72 E HN 0.676 nan 8.360 nan 0.000 0.458 73 E N -0.368 119.913 120.200 0.136 0.000 2.077 73 E HA -0.173 4.178 4.350 0.001 0.000 0.193 73 E C 1.900 178.595 176.600 0.158 0.000 0.989 73 E CA 0.900 57.364 56.400 0.108 0.000 0.800 73 E CB -0.144 29.615 29.700 0.098 0.000 0.746 73 E HN 0.339 nan 8.360 nan 0.000 0.452 74 W N 0.555 121.941 121.300 0.144 0.000 2.379 74 W HA -0.144 4.517 4.660 0.001 0.000 0.307 74 W C 2.782 179.325 176.519 0.041 0.000 1.200 74 W CA 0.814 58.194 57.345 0.058 0.000 1.297 74 W CB -0.157 29.252 29.460 -0.085 0.000 1.140 74 W HN -0.020 nan 8.180 nan 0.000 0.507 75 S N 0.474 116.342 115.700 0.279 0.000 2.359 75 S HA -0.244 4.227 4.470 0.001 0.000 0.222 75 S C 1.286 175.966 174.600 0.133 0.000 1.038 75 S CA 1.586 59.885 58.200 0.164 0.000 1.051 75 S CB -0.585 62.685 63.200 0.118 0.000 0.944 75 S HN 0.252 nan 8.310 nan 0.000 0.433 76 K N 1.146 121.615 120.400 0.116 0.000 2.632 76 K HA 0.163 4.484 4.320 0.001 0.000 0.196 76 K C 1.136 177.788 176.600 0.087 0.000 1.023 76 K CA 0.356 56.692 56.287 0.082 0.000 1.098 76 K CB -0.547 31.988 32.500 0.058 0.000 0.862 76 K HN 0.467 nan 8.250 nan 0.000 0.504 77 G N 1.513 110.393 108.800 0.133 0.000 2.309 77 G HA2 -0.300 3.661 3.960 0.001 0.000 0.286 77 G HA3 -0.300 3.661 3.960 0.001 0.000 0.286 77 G C 0.691 175.640 174.900 0.082 0.000 1.002 77 G CA 0.788 45.971 45.100 0.139 0.000 0.786 77 G HN 0.343 nan 8.290 nan 0.000 0.511 78 V N -3.230 116.716 119.914 0.053 0.000 3.514 78 V HA 0.604 4.725 4.120 0.001 0.000 0.301 78 V C 0.954 176.994 176.094 -0.090 0.000 1.346 78 V CA -0.410 61.882 62.300 -0.014 0.000 1.156 78 V CB -0.638 31.174 31.823 -0.018 0.000 1.029 78 V HN 0.319 nan 8.190 nan 0.000 0.428 79 F N 1.086 120.866 119.950 -0.283 0.000 2.399 79 F HA 0.633 5.160 4.527 0.001 0.000 0.342 79 F C -0.007 175.534 175.800 -0.431 0.000 1.106 79 F CA -0.463 57.211 58.000 -0.545 0.000 1.196 79 F CB 1.672 39.893 39.000 -1.300 0.000 1.163 79 F HN -0.044 nan 8.300 nan 0.000 0.547 80 V N 8.236 127.620 119.914 -0.882 0.000 2.531 80 V HA 0.619 4.739 4.120 0.001 0.000 0.301 80 V C -1.373 174.503 176.094 -0.362 0.000 1.034 80 V CA -0.537 61.506 62.300 -0.429 0.000 0.865 80 V CB 1.668 33.291 31.823 -0.334 0.000 0.995 80 V HN 0.776 nan 8.190 nan 0.000 0.424 81 V N 4.497 124.404 119.914 -0.011 0.000 2.539 81 V HA 0.766 4.887 4.120 0.001 0.000 0.292 81 V C 0.193 176.307 176.094 0.034 0.000 1.045 81 V CA 0.127 62.495 62.300 0.113 0.000 0.945 81 V CB 1.530 33.494 31.823 0.236 0.000 0.993 81 V HN 0.922 nan 8.190 nan 0.000 0.464 82 T N 3.624 118.200 114.554 0.036 0.000 2.927 82 T HA 0.304 4.655 4.350 0.001 0.000 0.281 82 T C 0.527 175.247 174.700 0.035 0.000 0.998 82 T CA -0.211 61.898 62.100 0.015 0.000 1.019 82 T CB 1.389 70.259 68.868 0.003 0.000 1.061 82 T HN 0.775 nan 8.240 nan 0.000 0.518 83 Q N 0.788 120.602 119.800 0.023 0.000 2.557 83 Q HA 0.025 4.366 4.340 0.001 0.000 0.217 83 Q C 1.908 177.926 176.000 0.030 0.000 0.978 83 Q CA 0.411 56.230 55.803 0.027 0.000 0.950 83 Q CB -0.256 28.493 28.738 0.018 0.000 0.991 83 Q HN 0.752 nan 8.270 nan 0.000 0.533 84 S N -2.372 113.348 115.700 0.033 0.000 2.505 84 S HA 0.103 4.574 4.470 0.001 0.000 0.216 84 S C 0.089 174.718 174.600 0.048 0.000 1.018 84 S CA -0.447 57.774 58.200 0.034 0.000 0.911 84 S CB 0.270 63.487 63.200 0.028 0.000 0.818 84 S HN 0.079 nan 8.310 nan 0.000 0.497 85 D N 3.260 123.698 120.400 0.063 0.000 2.349 85 D HA 0.222 4.863 4.640 0.001 0.000 0.266 85 D C 0.888 177.232 176.300 0.074 0.000 1.293 85 D CA 0.200 54.251 54.000 0.085 0.000 0.926 85 D CB 0.677 41.552 40.800 0.125 0.000 1.090 85 D HN 0.431 nan 8.370 nan 0.000 0.502 86 E N 1.690 121.929 120.200 0.064 0.000 1.999 86 E HA -0.091 4.259 4.350 0.001 0.000 0.194 86 E C 0.272 176.900 176.600 0.047 0.000 0.995 86 E CA 1.015 57.447 56.400 0.053 0.000 0.825 86 E CB 0.142 29.872 29.700 0.051 0.000 0.777 86 E HN 0.635 nan 8.360 nan 0.000 0.459 87 D N -1.314 119.111 120.400 0.041 0.000 2.650 87 D HA 0.165 4.806 4.640 0.001 0.000 0.255 87 D C 1.055 177.336 176.300 -0.031 0.000 1.135 87 D CA -0.607 53.388 54.000 -0.007 0.000 1.099 87 D CB 0.265 41.053 40.800 -0.019 0.000 1.273 87 D HN 0.003 nan 8.370 nan 0.000 0.628 88 I N -1.291 119.180 120.570 -0.165 0.000 2.179 88 I HA -0.169 4.002 4.170 0.001 0.000 0.242 88 I C 2.024 178.083 176.117 -0.097 0.000 1.088 88 I CA 1.186 62.382 61.300 -0.173 0.000 1.357 88 I CB -1.066 36.723 38.000 -0.353 0.000 1.051 88 I HN 0.382 nan 8.210 nan 0.000 0.409 89 H N 0.854 119.933 119.070 0.014 0.000 2.319 89 H HA -0.145 4.412 4.556 0.001 0.000 0.297 89 H C 2.358 177.713 175.328 0.045 0.000 1.097 89 H CA 1.973 58.031 56.048 0.017 0.000 1.285 89 H CB -0.522 29.234 29.762 -0.009 0.000 1.368 89 H HN 0.307 nan 8.280 nan 0.000 0.495 90 T N 0.152 114.800 114.554 0.156 0.000 2.777 90 T HA -0.091 4.260 4.350 0.001 0.000 0.266 90 T C 2.270 177.049 174.700 0.132 0.000 1.040 90 T CA 1.070 63.242 62.100 0.120 0.000 1.141 90 T CB -0.330 68.594 68.868 0.094 0.000 0.868 90 T HN 0.499 nan 8.240 nan 0.000 0.444 91 A N 1.441 124.351 122.820 0.150 0.000 2.119 91 A HA 0.013 4.334 4.320 0.001 0.000 0.216 91 A C 2.219 179.978 177.584 0.292 0.000 1.152 91 A CA 0.822 52.997 52.037 0.229 0.000 0.708 91 A CB -0.299 18.868 19.000 0.278 0.000 0.805 91 A HN 0.308 nan 8.150 nan 0.000 0.460 92 N N -0.012 118.818 118.700 0.216 0.000 2.336 92 N HA -0.089 4.652 4.740 0.001 0.000 0.177 92 N C 1.712 177.335 175.510 0.188 0.000 1.018 92 N CA 1.357 54.542 53.050 0.225 0.000 0.878 92 N CB -0.115 38.474 38.487 0.171 0.000 0.997 92 N HN 0.847 nan 8.380 nan 0.000 0.433 93 E N 0.868 121.158 120.200 0.149 0.000 2.427 93 E HA -0.073 4.278 4.350 0.001 0.000 0.196 93 E C 1.914 178.574 176.600 0.101 0.000 1.028 93 E CA 0.308 56.775 56.400 0.113 0.000 0.864 93 E CB 0.113 29.867 29.700 0.090 0.000 0.813 93 E HN 0.155 nan 8.360 nan 0.000 0.514 94 R N 0.553 121.123 120.500 0.117 0.000 2.075 94 R HA 0.014 4.355 4.340 0.001 0.000 0.226 94 R C 2.508 178.854 176.300 0.078 0.000 1.114 94 R CA 0.544 56.697 56.100 0.088 0.000 0.972 94 R CB -0.020 30.335 30.300 0.093 0.000 0.869 94 R HN 0.024 nan 8.270 nan 0.000 0.437 95 R N 0.833 121.408 120.500 0.125 0.000 2.090 95 R HA -0.090 4.251 4.340 0.001 0.000 0.228 95 R C 2.220 178.565 176.300 0.074 0.000 1.110 95 R CA 0.904 57.054 56.100 0.082 0.000 0.973 95 R CB -0.582 29.823 30.300 0.174 0.000 0.869 95 R HN 0.251 nan 8.270 nan 0.000 0.440 96 L N 1.755 123.041 121.223 0.104 0.000 2.017 96 L HA -0.157 4.184 4.340 0.001 0.000 0.208 96 L C 2.367 179.269 176.870 0.053 0.000 1.073 96 L CA 1.859 56.747 54.840 0.081 0.000 0.745 96 L CB -0.513 41.600 42.059 0.090 0.000 0.894 96 L HN -0.039 nan 8.230 nan 0.000 0.432 97 K N 0.102 120.532 120.400 0.050 0.000 2.211 97 K HA -0.203 4.118 4.320 0.001 0.000 0.204 97 K C 1.887 178.499 176.600 0.021 0.000 1.047 97 K CA 1.624 57.932 56.287 0.034 0.000 0.935 97 K CB -0.052 32.469 32.500 0.034 0.000 0.728 97 K HN 0.552 nan 8.250 nan 0.000 0.452 98 E N -0.181 120.028 120.200 0.016 0.000 2.358 98 E HA -0.033 4.318 4.350 0.001 0.000 0.195 98 E C 1.826 178.422 176.600 -0.006 0.000 1.010 98 E CA 0.340 56.738 56.400 -0.004 0.000 0.856 98 E CB 0.221 29.907 29.700 -0.023 0.000 0.795 98 E HN 0.241 nan 8.360 nan 0.000 0.504 99 L N -0.363 120.864 121.223 0.007 0.000 2.262 99 L HA 0.100 4.441 4.340 0.001 0.000 0.197 99 L C 2.067 178.944 176.870 0.012 0.000 1.073 99 L CA 0.519 55.363 54.840 0.007 0.000 0.800 99 L CB 0.047 42.117 42.059 0.018 0.000 0.987 99 L HN 0.085 nan 8.230 nan 0.000 0.470 100 I N -0.735 119.847 120.570 0.020 0.000 3.462 100 I HA 0.203 4.374 4.170 0.001 0.000 0.290 100 I C 1.164 177.290 176.117 0.016 0.000 1.236 100 I CA 0.457 61.769 61.300 0.019 0.000 1.418 100 I CB -0.067 37.949 38.000 0.027 0.000 1.102 100 I HN 0.370 nan 8.210 nan 0.000 0.441 101 G N 1.623 110.432 108.800 0.016 0.000 2.698 101 G HA2 -0.239 3.722 3.960 0.001 0.000 0.225 101 G HA3 -0.239 3.722 3.960 0.001 0.000 0.225 101 G C 0.110 175.020 174.900 0.017 0.000 1.345 101 G CA -0.094 45.014 45.100 0.013 0.000 0.871 101 G HN 0.201 nan 8.290 nan 0.000 0.540 102 D N -0.197 120.211 120.400 0.014 0.000 2.332 102 D HA -0.161 4.479 4.640 0.001 0.000 0.209 102 D C 2.424 178.734 176.300 0.017 0.000 0.988 102 D CA 1.607 55.616 54.000 0.015 0.000 0.912 102 D CB -0.099 40.708 40.800 0.011 0.000 0.899 102 D HN 0.540 nan 8.370 nan 0.000 0.477 103 I N 0.908 121.488 120.570 0.017 0.000 2.454 103 I HA -0.203 3.967 4.170 0.001 0.000 0.254 103 I C 2.567 178.699 176.117 0.025 0.000 1.156 103 I CA 0.659 61.970 61.300 0.018 0.000 1.433 103 I CB -0.324 37.686 38.000 0.017 0.000 1.082 103 I HN -0.077 nan 8.210 nan 0.000 0.432 104 A N 1.465 124.303 122.820 0.030 0.000 1.978 104 A HA -0.130 4.191 4.320 0.001 0.000 0.220 104 A C 2.488 180.096 177.584 0.040 0.000 1.170 104 A CA 1.783 53.844 52.037 0.039 0.000 0.636 104 A CB -1.366 17.660 19.000 0.044 0.000 0.810 104 A HN 0.461 nan 8.150 nan 0.000 0.448 105 G N 0.145 108.965 108.800 0.032 0.000 2.469 105 G HA2 -0.292 3.668 3.960 0.001 0.000 0.220 105 G HA3 -0.292 3.668 3.960 0.001 0.000 0.220 105 G C 1.539 176.460 174.900 0.035 0.000 1.136 105 G CA 1.133 46.251 45.100 0.031 0.000 0.759 105 G HN 0.468 nan 8.290 nan 0.000 0.562 106 K N -0.109 120.310 120.400 0.032 0.000 2.173 106 K HA -0.107 4.214 4.320 0.001 0.000 0.207 106 K C 2.324 178.957 176.600 0.054 0.000 1.046 106 K CA 0.728 57.034 56.287 0.031 0.000 0.929 106 K CB -0.597 31.915 32.500 0.019 0.000 0.720 106 K HN 0.364 nan 8.250 nan 0.000 0.453 107 L N 2.298 123.563 121.223 0.070 0.000 2.046 107 L HA -0.128 4.212 4.340 0.001 0.000 0.208 107 L C 1.330 178.295 176.870 0.160 0.000 1.077 107 L CA 1.683 56.596 54.840 0.123 0.000 0.747 107 L CB -0.599 41.525 42.059 0.107 0.000 0.896 107 L HN 0.173 nan 8.230 nan 0.000 0.432 108 N N -0.804 117.947 118.700 0.085 0.000 2.575 108 N HA -0.054 4.686 4.740 0.001 0.000 0.192 108 N C 0.068 175.620 175.510 0.069 0.000 1.200 108 N CA 0.373 53.451 53.050 0.046 0.000 0.897 108 N CB -0.415 38.080 38.487 0.013 0.000 0.990 108 N HN 0.337 nan 8.380 nan 0.000 0.449 109 T N 0.209 114.830 114.554 0.112 0.000 2.769 109 T HA 0.311 4.662 4.350 0.001 0.000 0.293 109 T C 1.347 176.135 174.700 0.146 0.000 0.931 109 T CA 0.638 62.793 62.100 0.092 0.000 1.139 109 T CB 0.809 69.711 68.868 0.056 0.000 0.881 109 T HN 0.479 nan 8.240 nan 0.000 0.532 110 G N 4.305 113.159 108.800 0.090 0.000 2.454 110 G HA2 -0.273 3.688 3.960 0.001 0.000 0.225 110 G HA3 -0.273 3.688 3.960 0.001 0.000 0.225 110 G C 0.326 175.267 174.900 0.068 0.000 1.138 110 G CA 0.182 45.340 45.100 0.098 0.000 0.667 110 G HN 0.918 nan 8.290 nan 0.000 0.512 111 R N 0.741 121.267 120.500 0.042 0.000 2.500 111 R HA 0.699 5.040 4.340 0.001 0.000 0.275 111 R C 0.251 176.452 176.300 -0.165 0.000 1.051 111 R CA 0.380 56.384 56.100 -0.160 0.000 1.088 111 R CB 1.453 31.408 30.300 -0.574 0.000 1.063 111 R HN 0.768 nan 8.270 nan 0.000 0.511 112 S N 0.860 116.446 115.700 -0.191 0.000 2.677 112 S HA 0.338 4.809 4.470 0.001 0.000 0.304 112 S C 0.582 175.027 174.600 -0.258 0.000 1.108 112 S CA -0.981 57.105 58.200 -0.190 0.000 0.944 112 S CB 2.098 65.202 63.200 -0.159 0.000 1.127 112 S HN 0.736 nan 8.310 nan 0.000 0.511 113 R N 1.351 121.685 120.500 -0.275 0.000 2.096 113 R HA 0.048 4.389 4.340 0.001 0.000 0.235 113 R C 1.708 177.832 176.300 -0.293 0.000 1.127 113 R CA 1.829 57.726 56.100 -0.338 0.000 0.968 113 R CB -1.156 28.981 30.300 -0.271 0.000 0.861 113 R HN 0.740 nan 8.270 nan 0.000 0.440 114 N N 0.451 118.963 118.700 -0.312 0.000 2.137 114 N HA -0.198 4.543 4.740 0.001 0.000 0.190 114 N C 1.478 176.919 175.510 -0.116 0.000 1.017 114 N CA 1.359 54.260 53.050 -0.249 0.000 0.859 114 N CB -0.189 38.161 38.487 -0.227 0.000 1.002 114 N HN 0.413 nan 8.380 nan 0.000 0.428 115 E N 0.644 120.749 120.200 -0.159 0.000 2.028 115 E HA -0.129 4.222 4.350 0.001 0.000 0.191 115 E C 1.861 178.368 176.600 -0.154 0.000 0.988 115 E CA 0.900 57.209 56.400 -0.152 0.000 0.799 115 E CB 0.031 29.610 29.700 -0.202 0.000 0.755 115 E HN 0.450 nan 8.360 nan 0.000 0.447 116 Q N 0.039 119.705 119.800 -0.225 0.000 2.124 116 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 116 Q C 2.336 178.337 176.000 0.002 0.000 0.977 116 Q CA 1.231 56.924 55.803 -0.184 0.000 0.850 116 Q CB -0.092 28.349 28.738 -0.495 0.000 0.901 116 Q HN 0.175 nan 8.270 nan 0.000 0.429 117 V N 1.223 121.150 119.914 0.022 0.000 2.231 117 V HA -0.272 3.849 4.120 0.001 0.000 0.248 117 V C 2.401 178.570 176.094 0.125 0.000 1.054 117 V CA 2.189 64.568 62.300 0.130 0.000 1.015 117 V CB -0.708 31.201 31.823 0.143 0.000 0.638 117 V HN 0.432 nan 8.190 nan 0.000 0.444 118 V N -3.131 116.841 119.914 0.097 0.000 2.970 118 V HA -0.118 4.003 4.120 0.001 0.000 0.260 118 V C 2.048 178.121 176.094 -0.034 0.000 1.100 118 V CA 2.122 64.472 62.300 0.084 0.000 1.122 118 V CB -0.952 30.913 31.823 0.071 0.000 0.721 118 V HN 0.545 nan 8.190 nan 0.000 0.483 119 T N 0.613 115.148 114.554 -0.031 0.000 2.937 119 T HA -0.048 4.303 4.350 0.001 0.000 0.260 119 T C 1.539 176.267 174.700 0.047 0.000 1.051 119 T CA 1.555 63.625 62.100 -0.049 0.000 1.141 119 T CB -0.293 68.515 68.868 -0.099 0.000 0.879 119 T HN 0.539 nan 8.240 nan 0.000 0.459 120 D N 1.203 121.649 120.400 0.077 0.000 2.123 120 D HA 0.050 4.691 4.640 0.001 0.000 0.200 120 D C 2.060 178.452 176.300 0.153 0.000 0.976 120 D CA 0.543 54.610 54.000 0.112 0.000 0.831 120 D CB -0.333 40.534 40.800 0.110 0.000 0.974 120 D HN 0.241 nan 8.370 nan 0.000 0.469 121 L N 0.519 121.836 121.223 0.157 0.000 2.109 121 L HA -0.101 4.240 4.340 0.001 0.000 0.207 121 L C 2.139 179.136 176.870 0.211 0.000 1.086 121 L CA 1.073 56.052 54.840 0.233 0.000 0.760 121 L CB -0.026 42.210 42.059 0.295 0.000 0.910 121 L HN 0.005 nan 8.230 nan 0.000 0.437 122 K N -0.297 120.129 120.400 0.044 0.000 2.148 122 K HA -0.132 4.189 4.320 0.001 0.000 0.204 122 K C 2.033 178.675 176.600 0.069 0.000 1.050 122 K CA 0.887 57.146 56.287 -0.047 0.000 0.942 122 K CB 0.034 32.450 32.500 -0.139 0.000 0.724 122 K HN 0.309 nan 8.250 nan 0.000 0.446 123 L N -0.082 121.239 121.223 0.164 0.000 2.072 123 L HA -0.151 4.190 4.340 0.001 0.000 0.205 123 L C 2.357 179.274 176.870 0.079 0.000 1.079 123 L CA 0.956 55.872 54.840 0.126 0.000 0.752 123 L CB -0.328 41.838 42.059 0.178 0.000 0.906 123 L HN 0.096 nan 8.230 nan 0.000 0.436 124 F N 0.823 120.780 119.950 0.011 0.000 2.069 124 F HA -0.291 4.237 4.527 0.001 0.000 0.298 124 F C 2.542 178.324 175.800 -0.030 0.000 1.113 124 F CA 1.750 59.752 58.000 0.003 0.000 1.214 124 F CB -0.230 38.817 39.000 0.077 0.000 0.978 124 F HN -0.057 nan 8.300 nan 0.000 0.474 125 M N 0.110 119.733 119.600 0.037 0.000 2.106 125 M HA -0.286 4.194 4.480 0.001 0.000 0.259 125 M C 2.187 178.338 176.300 -0.249 0.000 1.068 125 M CA 1.921 57.121 55.300 -0.167 0.000 1.100 125 M CB -0.642 31.913 32.600 -0.074 0.000 1.351 125 M HN 0.090 nan 8.290 nan 0.000 0.404 126 K N 0.270 120.553 120.400 -0.195 0.000 2.020 126 K HA -0.179 4.142 4.320 0.001 0.000 0.212 126 K C 1.735 178.205 176.600 -0.217 0.000 1.050 126 K CA 1.634 57.792 56.287 -0.216 0.000 0.929 126 K CB -0.303 32.037 32.500 -0.267 0.000 0.714 126 K HN 0.388 nan 8.250 nan 0.000 0.443 127 N N 0.173 118.728 118.700 -0.241 0.000 2.188 127 N HA -0.089 4.652 4.740 0.001 0.000 0.184 127 N C 1.850 177.200 175.510 -0.265 0.000 1.018 127 N CA 1.090 53.998 53.050 -0.236 0.000 0.858 127 N CB -0.199 38.144 38.487 -0.239 0.000 0.989 127 N HN 0.054 nan 8.380 nan 0.000 0.426 128 S N 1.241 116.712 115.700 -0.383 0.000 2.355 128 S HA -0.014 4.457 4.470 0.001 0.000 0.222 128 S C 2.008 176.502 174.600 -0.176 0.000 1.031 128 S CA 0.450 58.452 58.200 -0.331 0.000 0.993 128 S CB -0.237 62.678 63.200 -0.476 0.000 0.859 128 S HN 0.092 nan 8.310 nan 0.000 0.453 129 L N 1.793 122.902 121.223 -0.191 0.000 2.043 129 L HA -0.110 4.231 4.340 0.001 0.000 0.212 129 L C 2.628 179.468 176.870 -0.050 0.000 1.075 129 L CA 1.636 56.425 54.840 -0.085 0.000 0.752 129 L CB -1.114 40.888 42.059 -0.094 0.000 0.891 129 L HN 0.327 nan 8.230 nan 0.000 0.432 130 S N -1.416 114.230 115.700 -0.090 0.000 2.383 130 S HA -0.151 4.320 4.470 0.001 0.000 0.229 130 S C 2.008 176.566 174.600 -0.070 0.000 1.030 130 S CA 1.472 59.624 58.200 -0.079 0.000 1.002 130 S CB -0.189 62.951 63.200 -0.100 0.000 0.829 130 S HN 0.214 nan 8.310 nan 0.000 0.467 131 V N 1.958 121.834 119.914 -0.063 0.000 2.244 131 V HA -0.107 4.013 4.120 0.001 0.000 0.244 131 V C 2.321 178.445 176.094 0.050 0.000 1.042 131 V CA 1.962 64.242 62.300 -0.033 0.000 1.006 131 V CB -0.701 31.137 31.823 0.024 0.000 0.641 131 V HN 0.504 nan 8.190 nan 0.000 0.446 132 I N 0.383 121.022 120.570 0.115 0.000 2.151 132 I HA -0.312 3.859 4.170 0.001 0.000 0.243 132 I C 2.762 178.945 176.117 0.109 0.000 1.080 132 I CA 1.998 63.399 61.300 0.169 0.000 1.339 132 I CB -0.575 37.526 38.000 0.168 0.000 1.039 132 I HN 0.359 nan 8.210 nan 0.000 0.409 133 S N 0.051 115.781 115.700 0.050 0.000 2.374 133 S HA -0.230 4.240 4.470 0.001 0.000 0.227 133 S C 2.077 176.670 174.600 -0.012 0.000 1.037 133 S CA 2.417 60.630 58.200 0.021 0.000 1.024 133 S CB -0.370 62.829 63.200 -0.001 0.000 0.861 133 S HN 0.456 nan 8.310 nan 0.000 0.456 134 T N 1.033 115.543 114.554 -0.074 0.000 2.821 134 T HA -0.033 4.318 4.350 0.001 0.000 0.267 134 T C 1.620 176.227 174.700 -0.155 0.000 1.046 134 T CA 1.235 63.250 62.100 -0.143 0.000 1.139 134 T CB -0.413 68.313 68.868 -0.236 0.000 0.871 134 T HN 0.508 nan 8.240 nan 0.000 0.454 135 H N 0.385 119.458 119.070 0.006 0.000 2.357 135 H HA 0.071 4.628 4.556 0.002 0.000 0.301 135 H C 2.250 177.583 175.328 0.008 0.000 1.082 135 H CA 0.936 56.990 56.048 0.010 0.000 1.342 135 H CB -0.570 29.202 29.762 0.017 0.000 1.389 135 H HN 0.184 nan 8.280 nan 0.000 0.511 136 L N 0.838 122.134 121.223 0.121 0.000 2.012 136 L HA -0.148 4.193 4.340 0.001 0.000 0.210 136 L C 2.181 179.072 176.870 0.035 0.000 1.073 136 L CA 1.238 56.120 54.840 0.070 0.000 0.748 136 L CB -0.816 41.279 42.059 0.061 0.000 0.891 136 L HN 0.148 nan 8.230 nan 0.000 0.431 137 L N -0.572 120.662 121.223 0.018 0.000 2.265 137 L HA -0.190 4.150 4.340 0.001 0.000 0.215 137 L C 2.472 179.344 176.870 0.003 0.000 1.117 137 L CA 1.373 56.214 54.840 0.001 0.000 0.782 137 L CB -1.092 40.960 42.059 -0.012 0.000 0.914 137 L HN 0.519 nan 8.230 nan 0.000 0.441 138 Q N -0.610 119.199 119.800 0.016 0.000 2.311 138 Q HA -0.093 4.248 4.340 0.001 0.000 0.203 138 Q C 2.277 178.288 176.000 0.018 0.000 0.954 138 Q CA 0.654 56.470 55.803 0.022 0.000 0.885 138 Q CB 0.249 29.016 28.738 0.049 0.000 0.963 138 Q HN 0.495 nan 8.270 nan 0.000 0.471 139 L N -0.067 121.166 121.223 0.016 0.000 2.023 139 L HA -0.124 4.217 4.340 0.001 0.000 0.205 139 L C 2.391 179.247 176.870 -0.023 0.000 1.073 139 L CA 0.776 55.612 54.840 -0.007 0.000 0.745 139 L CB -0.309 41.745 42.059 -0.009 0.000 0.900 139 L HN 0.211 nan 8.230 nan 0.000 0.435 140 I N -0.094 120.463 120.570 -0.021 0.000 2.163 140 I HA -0.391 3.780 4.170 0.001 0.000 0.243 140 I C 2.518 178.620 176.117 -0.025 0.000 1.085 140 I CA 1.620 62.901 61.300 -0.032 0.000 1.347 140 I CB -0.046 37.938 38.000 -0.028 0.000 1.044 140 I HN 0.271 nan 8.210 nan 0.000 0.408 141 K N -0.172 120.221 120.400 -0.013 0.000 2.074 141 K HA -0.196 4.125 4.320 0.001 0.000 0.209 141 K C 1.945 178.541 176.600 -0.005 0.000 1.048 141 K CA 2.236 58.519 56.287 -0.007 0.000 0.926 141 K CB -0.285 32.214 32.500 -0.002 0.000 0.713 141 K HN 0.411 nan 8.250 nan 0.000 0.444 142 T N 1.691 116.242 114.554 -0.005 0.000 2.746 142 T HA -0.098 4.252 4.350 0.001 0.000 0.267 142 T C 1.841 176.534 174.700 -0.011 0.000 1.039 142 T CA 0.997 63.096 62.100 -0.002 0.000 1.142 142 T CB -0.105 68.760 68.868 -0.005 0.000 0.866 142 T HN 0.093 nan 8.240 nan 0.000 0.444 143 L N 0.473 121.678 121.223 -0.031 0.000 1.988 143 L HA -0.071 4.270 4.340 0.001 0.000 0.207 143 L C 2.699 179.539 176.870 -0.050 0.000 1.071 143 L CA 0.964 55.771 54.840 -0.055 0.000 0.744 143 L CB -0.702 41.307 42.059 -0.084 0.000 0.893 143 L HN 0.104 nan 8.230 nan 0.000 0.433 144 V N 0.026 119.915 119.914 -0.042 0.000 2.282 144 V HA -0.366 3.755 4.120 0.001 0.000 0.249 144 V C 2.474 178.561 176.094 -0.011 0.000 1.057 144 V CA 2.244 64.525 62.300 -0.031 0.000 1.032 144 V CB -0.642 31.168 31.823 -0.021 0.000 0.645 144 V HN 0.537 nan 8.190 nan 0.000 0.447 145 E N 0.238 120.437 120.200 -0.001 0.000 2.070 145 E HA -0.314 4.037 4.350 0.001 0.000 0.197 145 E C 2.458 179.074 176.600 0.028 0.000 1.004 145 E CA 1.934 58.342 56.400 0.014 0.000 0.805 145 E CB -0.173 29.537 29.700 0.016 0.000 0.744 145 E HN 0.503 nan 8.360 nan 0.000 0.451 146 R N -0.191 120.328 120.500 0.033 0.000 2.115 146 R HA -0.068 4.272 4.340 0.001 0.000 0.230 146 R C 2.200 178.542 176.300 0.070 0.000 1.111 146 R CA 1.067 57.209 56.100 0.069 0.000 0.976 146 R CB -0.235 30.122 30.300 0.094 0.000 0.870 146 R HN 0.214 nan 8.270 nan 0.000 0.445 147 A N 0.545 123.372 122.820 0.012 0.000 1.978 147 A HA -0.123 4.198 4.320 0.001 0.000 0.220 147 A C 2.230 179.837 177.584 0.037 0.000 1.170 147 A CA 1.710 53.743 52.037 -0.006 0.000 0.636 147 A CB -0.555 18.415 19.000 -0.051 0.000 0.810 147 A HN 0.527 nan 8.150 nan 0.000 0.448 148 A N -0.432 122.410 122.820 0.037 0.000 1.975 148 A HA 0.147 4.468 4.320 0.001 0.000 0.215 148 A C 1.968 179.587 177.584 0.058 0.000 1.170 148 A CA 1.099 53.161 52.037 0.041 0.000 0.656 148 A CB -0.386 18.631 19.000 0.028 0.000 0.821 148 A HN 0.464 nan 8.150 nan 0.000 0.449 149 I N -0.552 120.059 120.570 0.069 0.000 2.761 149 I HA -0.094 4.077 4.170 0.001 0.000 0.261 149 I C 0.871 177.048 176.117 0.100 0.000 1.198 149 I CA 0.953 62.298 61.300 0.076 0.000 1.482 149 I CB -0.081 37.964 38.000 0.074 0.000 1.100 149 I HN 0.340 nan 8.210 nan 0.000 0.445 150 E N 0.463 120.748 120.200 0.142 0.000 2.869 150 E HA 0.216 4.567 4.350 0.001 0.000 0.207 150 E C 1.391 178.110 176.600 0.198 0.000 0.986 150 E CA -0.133 56.382 56.400 0.192 0.000 1.131 150 E CB 0.472 30.370 29.700 0.330 0.000 1.098 150 E HN 0.415 nan 8.360 nan 0.000 0.459 151 I N 0.580 121.228 120.570 0.130 0.000 2.423 151 I HA -0.231 3.940 4.170 0.001 0.000 0.254 151 I C 1.339 177.520 176.117 0.108 0.000 1.151 151 I CA 1.052 62.418 61.300 0.110 0.000 1.421 151 I CB -0.122 37.923 38.000 0.075 0.000 1.079 151 I HN 0.072 nan 8.210 nan 0.000 0.431 152 D N 0.725 121.182 120.400 0.095 0.000 2.348 152 D HA 0.079 4.719 4.640 0.001 0.000 0.211 152 D C 0.766 177.109 176.300 0.072 0.000 0.998 152 D CA 0.429 54.474 54.000 0.075 0.000 0.873 152 D CB 0.360 41.193 40.800 0.055 0.000 0.925 152 D HN 0.115 nan 8.370 nan 0.000 0.524 153 V N 2.269 122.239 119.914 0.093 0.000 2.572 153 V HA 0.109 4.230 4.120 0.001 0.000 0.291 153 V C 0.624 176.761 176.094 0.073 0.000 1.039 153 V CA 0.107 62.435 62.300 0.046 0.000 1.055 153 V CB 1.039 32.866 31.823 0.007 0.000 0.969 153 V HN -0.052 nan 8.190 nan 0.000 0.482 154 I N 5.956 126.520 120.570 -0.010 0.000 2.569 154 I HA 0.670 4.841 4.170 0.001 0.000 0.296 154 I C -0.261 175.772 176.117 -0.140 0.000 1.028 154 I CA -0.529 60.761 61.300 -0.015 0.000 1.082 154 I CB 1.860 39.865 38.000 0.009 0.000 1.264 154 I HN 0.627 nan 8.210 nan 0.000 0.429 155 L N 4.602 125.739 121.223 -0.143 0.000 2.503 155 L HA 0.821 5.162 4.340 0.001 0.000 0.248 155 L C -3.029 173.714 176.870 -0.211 0.000 1.126 155 L CA -2.093 52.562 54.840 -0.308 0.000 0.929 155 L CB 2.045 43.797 42.059 -0.512 0.000 1.544 155 L HN 0.149 nan 8.230 nan 0.000 0.404 156 P HA 0.359 nan 4.420 nan 0.000 0.282 156 P C -0.863 176.379 177.300 -0.098 0.000 1.249 156 P CA -0.095 62.884 63.100 -0.201 0.000 0.806 156 P CB 1.346 32.865 31.700 -0.302 0.000 0.984 157 G N 1.681 110.419 108.800 -0.103 0.000 2.343 157 G HA2 0.495 4.456 3.960 0.001 0.000 0.319 157 G HA3 0.495 4.456 3.960 0.001 0.000 0.319 157 G C -1.285 173.603 174.900 -0.019 0.000 1.126 157 G CA -0.108 45.035 45.100 0.072 0.000 0.889 157 G HN 0.282 nan 8.290 nan 0.000 0.457 158 Y N 0.302 120.697 120.300 0.159 0.000 2.518 158 Y HA 0.734 5.285 4.550 0.001 0.000 0.332 158 Y C 0.891 176.850 175.900 0.099 0.000 1.276 158 Y CA -0.614 57.581 58.100 0.158 0.000 1.418 158 Y CB 2.139 40.739 38.460 0.233 0.000 1.527 158 Y HN 0.636 nan 8.280 nan 0.000 0.549 159 T N -1.294 113.420 114.554 0.266 0.000 4.045 159 T HA 0.197 4.548 4.350 0.001 0.000 0.399 159 T C -1.360 173.401 174.700 0.101 0.000 1.270 159 T CA -1.040 61.089 62.100 0.048 0.000 1.126 159 T CB 0.216 69.098 68.868 0.024 0.000 1.272 159 T HN 0.856 nan 8.240 nan 0.000 0.472 160 H N 2.495 121.664 119.070 0.164 0.000 2.791 160 H HA -0.138 4.419 4.556 0.001 0.000 0.302 160 H C 1.068 176.516 175.328 0.199 0.000 1.198 160 H CA 0.707 56.841 56.048 0.144 0.000 1.145 160 H CB -1.385 28.445 29.762 0.114 0.000 1.385 160 H HN 0.890 nan 8.280 nan 0.000 0.409 161 L N -1.527 119.883 121.223 0.312 0.000 3.905 161 L HA -0.309 4.032 4.340 0.001 0.000 0.437 161 L C 0.138 177.356 176.870 0.580 0.000 1.152 161 L CA 1.273 56.360 54.840 0.411 0.000 0.935 161 L CB -0.490 41.720 42.059 0.253 0.000 1.841 161 L HN 0.384 nan 8.230 nan 0.000 0.998 162 Q N 0.369 120.463 119.800 0.490 0.000 2.333 162 Q HA 0.358 4.699 4.340 0.001 0.000 0.267 162 Q C -0.061 175.975 176.000 0.060 0.000 1.012 162 Q CA -0.664 55.312 55.803 0.289 0.000 0.824 162 Q CB 1.834 30.700 28.738 0.212 0.000 1.290 162 Q HN 0.163 nan 8.270 nan 0.000 0.449 163 K N 1.121 121.413 120.400 -0.181 0.000 2.466 163 K HA 0.059 4.380 4.320 0.001 0.000 0.278 163 K C 0.532 177.024 176.600 -0.181 0.000 1.048 163 K CA 0.261 56.279 56.287 -0.449 0.000 1.088 163 K CB 0.500 32.824 32.500 -0.293 0.000 0.884 163 K HN 0.689 nan 8.250 nan 0.000 0.478 164 A N 4.117 126.831 122.820 -0.177 0.000 1.997 164 A HA 0.012 4.333 4.320 0.001 0.000 0.214 164 A C 0.103 177.680 177.584 -0.012 0.000 1.458 164 A CA 0.681 52.694 52.037 -0.039 0.000 0.692 164 A CB 0.238 19.235 19.000 -0.006 0.000 1.145 164 A HN 0.802 nan 8.150 nan 0.000 0.515 165 Q N -1.688 118.095 119.800 -0.028 0.000 2.578 165 Q HA 0.427 4.767 4.340 0.001 0.000 0.284 165 Q C -3.177 172.832 176.000 0.017 0.000 0.960 165 Q CA -2.215 53.603 55.803 0.025 0.000 0.809 165 Q CB 1.056 29.819 28.738 0.043 0.000 1.462 165 Q HN -0.017 nan 8.270 nan 0.000 0.392 166 P HA 0.177 nan 4.420 nan 0.000 0.262 166 P C -1.113 176.220 177.300 0.056 0.000 1.199 166 P CA 0.423 63.583 63.100 0.101 0.000 0.763 166 P CB 0.257 32.115 31.700 0.263 0.000 0.790 167 I N 3.002 123.591 120.570 0.030 0.000 2.934 167 I HA 0.382 4.553 4.170 0.001 0.000 0.306 167 I C 0.065 176.228 176.117 0.077 0.000 1.110 167 I CA -1.124 60.196 61.300 0.034 0.000 1.019 167 I CB 2.050 40.073 38.000 0.039 0.000 1.227 167 I HN 0.103 nan 8.210 nan 0.000 0.434 168 R N 4.141 124.699 120.500 0.097 0.000 2.357 168 R HA 0.101 4.442 4.340 0.001 0.000 0.296 168 R C 0.763 177.192 176.300 0.215 0.000 1.052 168 R CA -0.293 55.889 56.100 0.137 0.000 0.988 168 R CB 0.810 31.180 30.300 0.117 0.000 1.025 168 R HN 0.792 nan 8.270 nan 0.000 0.469 169 W N 3.194 124.513 121.300 0.032 0.000 2.305 169 W HA -0.289 4.371 4.660 0.001 0.000 0.308 169 W C 0.825 177.449 176.519 0.175 0.000 1.226 169 W CA 2.046 59.436 57.345 0.075 0.000 1.253 169 W CB 0.005 29.474 29.460 0.014 0.000 1.146 169 W HN 0.551 nan 8.180 nan 0.000 0.507 170 S N 0.619 116.375 115.700 0.093 0.000 2.370 170 S HA -0.339 4.132 4.470 0.001 0.000 0.226 170 S C 1.508 176.068 174.600 -0.067 0.000 1.033 170 S CA 1.898 60.069 58.200 -0.048 0.000 1.011 170 S CB -0.787 62.435 63.200 0.037 0.000 0.852 170 S HN 0.347 nan 8.310 nan 0.000 0.457 171 Q N 1.217 121.023 119.800 0.011 0.000 2.014 171 Q HA -0.159 4.182 4.340 0.001 0.000 0.207 171 Q C 1.795 177.773 176.000 -0.037 0.000 0.993 171 Q CA 1.917 57.719 55.803 -0.002 0.000 0.850 171 Q CB -0.756 28.006 28.738 0.040 0.000 0.916 171 Q HN 0.528 nan 8.270 nan 0.000 0.417 172 F N 0.165 120.041 119.950 -0.124 0.000 2.025 172 F HA -0.267 4.261 4.527 0.001 0.000 0.297 172 F C 1.703 177.378 175.800 -0.207 0.000 1.132 172 F CA 1.984 59.903 58.000 -0.134 0.000 1.191 172 F CB -0.639 38.330 39.000 -0.053 0.000 0.963 172 F HN 0.176 nan 8.300 nan 0.000 0.481 173 L N 0.301 121.262 121.223 -0.436 0.000 1.991 173 L HA -0.327 4.014 4.340 0.001 0.000 0.221 173 L C 2.650 179.315 176.870 -0.340 0.000 1.079 173 L CA 1.929 56.485 54.840 -0.473 0.000 0.778 173 L CB -1.128 40.677 42.059 -0.422 0.000 0.893 173 L HN 0.314 nan 8.230 nan 0.000 0.437 174 L N -0.283 120.793 121.223 -0.245 0.000 2.187 174 L HA -0.218 4.123 4.340 0.001 0.000 0.213 174 L C 2.888 179.621 176.870 -0.229 0.000 1.100 174 L CA 1.462 56.192 54.840 -0.183 0.000 0.765 174 L CB -0.607 41.383 42.059 -0.115 0.000 0.904 174 L HN 0.494 nan 8.230 nan 0.000 0.437 175 S N -1.555 113.953 115.700 -0.319 0.000 2.368 175 S HA -0.217 4.254 4.470 0.001 0.000 0.224 175 S C 1.952 176.269 174.600 -0.473 0.000 1.029 175 S CA 0.846 58.818 58.200 -0.381 0.000 0.988 175 S CB -0.528 62.401 63.200 -0.452 0.000 0.838 175 S HN 0.452 nan 8.310 nan 0.000 0.462 176 H N 1.813 120.624 119.070 -0.432 0.000 2.357 176 H HA 0.161 4.718 4.556 0.001 0.000 0.301 176 H C 2.702 177.843 175.328 -0.312 0.000 1.082 176 H CA 1.385 57.192 56.048 -0.402 0.000 1.342 176 H CB -0.822 28.662 29.762 -0.463 0.000 1.389 176 H HN 0.605 nan 8.280 nan 0.000 0.511 177 A N 0.746 123.472 122.820 -0.156 0.000 1.908 177 A HA -0.131 4.190 4.320 0.001 0.000 0.218 177 A C 2.849 180.349 177.584 -0.140 0.000 1.181 177 A CA 1.654 53.614 52.037 -0.129 0.000 0.627 177 A CB -0.886 18.047 19.000 -0.111 0.000 0.818 177 A HN 0.209 nan 8.150 nan 0.000 0.445 178 V N -0.235 119.578 119.914 -0.168 0.000 2.295 178 V HA -0.257 3.864 4.120 0.001 0.000 0.246 178 V C 3.050 179.035 176.094 -0.182 0.000 1.049 178 V CA 1.989 64.197 62.300 -0.154 0.000 1.024 178 V CB -1.191 30.538 31.823 -0.157 0.000 0.648 178 V HN 0.622 nan 8.190 nan 0.000 0.447 179 A N -0.638 122.009 122.820 -0.289 0.000 1.972 179 A HA -0.124 4.197 4.320 0.001 0.000 0.219 179 A C 2.191 179.528 177.584 -0.412 0.000 1.169 179 A CA 1.585 53.343 52.037 -0.464 0.000 0.635 179 A CB -0.456 18.043 19.000 -0.836 0.000 0.810 179 A HN 0.525 nan 8.150 nan 0.000 0.446 180 L N -1.316 119.751 121.223 -0.261 0.000 2.179 180 L HA -0.094 4.247 4.340 0.001 0.000 0.208 180 L C 2.706 179.557 176.870 -0.032 0.000 1.096 180 L CA 1.387 56.170 54.840 -0.096 0.000 0.779 180 L CB -0.685 41.331 42.059 -0.073 0.000 0.922 180 L HN 0.306 nan 8.230 nan 0.000 0.443 181 T N -0.352 114.168 114.554 -0.056 0.000 2.684 181 T HA -0.195 4.155 4.350 0.001 0.000 0.267 181 T C 2.015 176.711 174.700 -0.007 0.000 1.036 181 T CA 1.303 63.386 62.100 -0.030 0.000 1.148 181 T CB -0.126 68.715 68.868 -0.044 0.000 0.863 181 T HN 0.285 nan 8.240 nan 0.000 0.436 182 R N 0.895 121.392 120.500 -0.005 0.000 2.105 182 R HA -0.094 4.247 4.340 0.001 0.000 0.239 182 R C 2.171 178.503 176.300 0.054 0.000 1.135 182 R CA 1.419 57.534 56.100 0.025 0.000 0.967 182 R CB -0.352 29.974 30.300 0.043 0.000 0.861 182 R HN 0.434 nan 8.270 nan 0.000 0.442 183 D N 0.128 120.579 120.400 0.085 0.000 2.104 183 D HA -0.152 4.489 4.640 0.001 0.000 0.194 183 D C 1.851 178.184 176.300 0.054 0.000 0.994 183 D CA 1.308 55.360 54.000 0.087 0.000 0.830 183 D CB -0.368 40.509 40.800 0.129 0.000 0.959 183 D HN 0.039 nan 8.370 nan 0.000 0.452 184 S N 0.259 115.983 115.700 0.041 0.000 2.374 184 S HA -0.252 4.219 4.470 0.001 0.000 0.227 184 S C 1.863 176.481 174.600 0.029 0.000 1.037 184 S CA 1.924 60.144 58.200 0.033 0.000 1.024 184 S CB -0.107 63.103 63.200 0.018 0.000 0.861 184 S HN 0.301 nan 8.310 nan 0.000 0.456 185 E N 0.301 120.515 120.200 0.023 0.000 2.031 185 E HA -0.163 4.188 4.350 0.001 0.000 0.193 185 E C 2.420 179.036 176.600 0.027 0.000 0.994 185 E CA 1.085 57.496 56.400 0.020 0.000 0.800 185 E CB -0.157 29.550 29.700 0.012 0.000 0.752 185 E HN 0.456 nan 8.360 nan 0.000 0.447 186 R N 0.021 120.540 120.500 0.031 0.000 2.103 186 R HA -0.188 4.153 4.340 0.001 0.000 0.242 186 R C 2.621 178.951 176.300 0.051 0.000 1.142 186 R CA 1.449 57.570 56.100 0.035 0.000 0.960 186 R CB -0.492 29.825 30.300 0.027 0.000 0.858 186 R HN 0.260 nan 8.270 nan 0.000 0.439 187 L N 0.209 121.469 121.223 0.060 0.000 2.046 187 L HA -0.090 4.251 4.340 0.001 0.000 0.208 187 L C 2.284 179.194 176.870 0.067 0.000 1.077 187 L CA 2.034 56.927 54.840 0.088 0.000 0.747 187 L CB -0.749 41.366 42.059 0.093 0.000 0.896 187 L HN 0.237 nan 8.230 nan 0.000 0.432 188 G N -1.098 107.728 108.800 0.042 0.000 2.469 188 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 188 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 188 G C 1.378 176.296 174.900 0.029 0.000 1.150 188 G CA 1.049 46.165 45.100 0.026 0.000 0.763 188 G HN 0.545 nan 8.290 nan 0.000 0.561 189 E N -0.059 120.163 120.200 0.036 0.000 2.051 189 E HA -0.079 4.272 4.350 0.001 0.000 0.192 189 E C 2.752 179.385 176.600 0.055 0.000 0.991 189 E CA 1.009 57.433 56.400 0.039 0.000 0.799 189 E CB -0.265 29.457 29.700 0.037 0.000 0.748 189 E HN 0.273 nan 8.360 nan 0.000 0.449 190 V N 1.828 121.788 119.914 0.077 0.000 2.252 190 V HA -0.342 3.779 4.120 0.001 0.000 0.249 190 V C 2.405 178.552 176.094 0.088 0.000 1.056 190 V CA 2.160 64.526 62.300 0.109 0.000 1.022 190 V CB -0.534 31.390 31.823 0.167 0.000 0.641 190 V HN 0.225 nan 8.190 nan 0.000 0.445 191 K N -0.315 120.121 120.400 0.059 0.000 2.127 191 K HA -0.243 4.078 4.320 0.001 0.000 0.208 191 K C 2.379 178.976 176.600 -0.005 0.000 1.047 191 K CA 1.612 57.905 56.287 0.010 0.000 0.927 191 K CB -0.109 32.384 32.500 -0.011 0.000 0.716 191 K HN 0.423 nan 8.250 nan 0.000 0.450 192 R N -0.049 120.458 120.500 0.012 0.000 2.066 192 R HA -0.099 4.242 4.340 0.001 0.000 0.232 192 R C 2.353 178.669 176.300 0.027 0.000 1.131 192 R CA 1.364 57.470 56.100 0.010 0.000 0.955 192 R CB -0.368 29.942 30.300 0.017 0.000 0.851 192 R HN 0.258 nan 8.270 nan 0.000 0.432 193 R N 0.490 121.020 120.500 0.051 0.000 2.148 193 R HA 0.021 4.362 4.340 0.001 0.000 0.227 193 R C 2.296 178.638 176.300 0.069 0.000 1.103 193 R CA 0.909 57.052 56.100 0.071 0.000 0.983 193 R CB -0.230 30.128 30.300 0.098 0.000 0.874 193 R HN 0.239 nan 8.270 nan 0.000 0.451 194 I N 0.671 121.274 120.570 0.054 0.000 2.439 194 I HA -0.199 3.972 4.170 0.001 0.000 0.251 194 I C 1.351 177.449 176.117 -0.031 0.000 1.139 194 I CA 0.845 62.150 61.300 0.007 0.000 1.438 194 I CB -0.244 37.757 38.000 0.002 0.000 1.085 194 I HN 0.195 nan 8.210 nan 0.000 0.427 195 N N 1.527 120.198 118.700 -0.048 0.000 2.906 195 N HA 0.078 4.819 4.740 0.001 0.000 0.282 195 N C -0.966 174.645 175.510 0.168 0.000 1.293 195 N CA -0.117 52.867 53.050 -0.111 0.000 1.059 195 N CB 0.208 38.611 38.487 -0.139 0.000 1.388 195 N HN -0.027 nan 8.380 nan 0.000 0.533 196 V N 2.447 122.555 119.914 0.323 0.000 2.409 196 V HA 0.193 4.314 4.120 0.001 0.000 0.290 196 V C 0.019 176.217 176.094 0.174 0.000 1.017 196 V CA -0.886 61.576 62.300 0.269 0.000 0.841 196 V CB 1.630 33.511 31.823 0.098 0.000 1.003 196 V HN 0.207 nan 8.190 nan 0.000 0.426 197 L N 9.528 130.687 121.223 -0.108 0.000 2.534 197 L HA 0.297 4.638 4.340 0.001 0.000 0.271 197 L C -1.301 175.360 176.870 -0.349 0.000 1.178 197 L CA -0.075 54.337 54.840 -0.713 0.000 0.907 197 L CB 0.889 42.538 42.059 -0.684 0.000 1.164 197 L HN 0.416 nan 8.230 nan 0.000 0.482 198 P HA -0.007 nan 4.420 nan 0.000 0.244 198 P C 0.300 177.497 177.300 -0.173 0.000 1.191 198 P CA -0.204 62.784 63.100 -0.186 0.000 0.829 198 P CB 0.233 31.840 31.700 -0.154 0.000 1.008 199 L N 1.737 122.820 121.223 -0.233 0.000 2.700 199 L HA 0.276 4.616 4.340 0.001 0.000 0.272 199 L C 1.050 177.856 176.870 -0.106 0.000 1.176 199 L CA 1.738 56.470 54.840 -0.180 0.000 0.961 199 L CB -1.128 40.812 42.059 -0.199 0.000 1.249 199 L HN 0.370 nan 8.230 nan 0.000 0.487 200 G N 2.009 110.765 108.800 -0.074 0.000 2.276 200 G HA2 -0.180 3.781 3.960 0.001 0.000 0.177 200 G HA3 -0.180 3.781 3.960 0.001 0.000 0.177 200 G C 0.641 175.526 174.900 -0.025 0.000 1.017 200 G CA 0.070 45.162 45.100 -0.013 0.000 0.750 200 G HN 0.576 nan 8.290 nan 0.000 0.506 201 S N 0.290 115.961 115.700 -0.048 0.000 2.540 201 S HA 0.481 4.952 4.470 0.001 0.000 0.218 201 S C 1.866 176.445 174.600 -0.036 0.000 0.977 201 S CA 1.112 59.291 58.200 -0.035 0.000 0.918 201 S CB 0.449 63.629 63.200 -0.033 0.000 0.806 201 S HN 2.066 nan 8.310 nan 0.000 0.496 202 G N 2.128 110.898 108.800 -0.050 0.000 2.583 202 G HA2 -0.247 3.713 3.960 0.001 0.000 0.292 202 G HA3 -0.247 3.713 3.960 0.001 0.000 0.292 202 G C 0.678 175.533 174.900 -0.076 0.000 1.203 202 G CA 0.179 45.246 45.100 -0.055 0.000 0.987 202 G HN 0.903 nan 8.290 nan 0.000 0.554 203 A N -1.514 121.268 122.820 -0.063 0.000 2.469 203 A HA 0.762 5.083 4.320 0.001 0.000 0.245 203 A C 1.456 179.020 177.584 -0.033 0.000 1.221 203 A CA 1.448 53.439 52.037 -0.076 0.000 0.946 203 A CB 0.322 19.268 19.000 -0.089 0.000 1.049 203 A HN 1.586 nan 8.150 nan 0.000 0.529 204 L N -3.822 117.391 121.223 -0.016 0.000 1.326 204 L HA 0.180 4.521 4.340 0.001 0.000 0.115 204 L C 1.416 178.288 176.870 0.004 0.000 1.379 204 L CA 0.930 55.773 54.840 0.005 0.000 1.199 204 L CB -0.535 41.529 42.059 0.009 0.000 2.485 204 L HN 0.133 nan 8.230 nan 0.000 0.472 205 A N 0.458 123.277 122.820 -0.001 0.000 2.348 205 A HA 0.640 4.961 4.320 0.001 0.000 0.224 205 A C 0.828 178.411 177.584 -0.002 0.000 1.227 205 A CA 0.778 52.815 52.037 0.000 0.000 0.885 205 A CB 0.151 19.152 19.000 0.001 0.000 0.933 205 A HN 0.839 nan 8.150 nan 0.000 0.506 206 G N -0.312 108.485 108.800 -0.006 0.000 2.434 206 G HA2 -0.030 3.931 3.960 0.001 0.000 0.671 206 G HA3 -0.030 3.931 3.960 0.001 0.000 0.671 206 G C -0.728 174.171 174.900 -0.001 0.000 1.280 206 G CA -0.387 44.710 45.100 -0.005 0.000 0.975 206 G HN 0.561 nan 8.290 nan 0.000 0.510 207 N N 1.227 119.932 118.700 0.009 0.000 2.488 207 N HA 0.568 5.309 4.740 0.001 0.000 0.274 207 N C -0.243 175.278 175.510 0.017 0.000 1.111 207 N CA -0.979 52.087 53.050 0.027 0.000 0.974 207 N CB 1.411 39.929 38.487 0.052 0.000 1.089 207 N HN 0.354 nan 8.380 nan 0.000 0.465 208 P HA 0.050 nan 4.420 nan 0.000 0.245 208 P C 0.378 177.681 177.300 0.005 0.000 1.203 208 P CA 0.653 63.758 63.100 0.009 0.000 0.792 208 P CB 0.413 32.117 31.700 0.007 0.000 0.997 209 L N -0.403 120.824 121.223 0.008 0.000 2.628 209 L HA 0.181 4.522 4.340 0.001 0.000 0.229 209 L C 0.538 177.400 176.870 -0.014 0.000 1.137 209 L CA 0.104 54.941 54.840 -0.006 0.000 0.909 209 L CB -0.877 41.174 42.059 -0.013 0.000 1.137 209 L HN -0.043 nan 8.230 nan 0.000 0.470 210 D N 0.908 121.304 120.400 -0.007 0.000 2.870 210 D HA -0.257 4.384 4.640 0.001 0.000 0.228 210 D C 0.351 176.639 176.300 -0.020 0.000 1.147 210 D CA 0.408 54.401 54.000 -0.011 0.000 0.757 210 D CB -0.913 39.879 40.800 -0.013 0.000 1.091 210 D HN 0.316 nan 8.370 nan 0.000 0.429 211 I N 0.234 120.791 120.570 -0.022 0.000 3.003 211 I HA -0.120 4.051 4.170 0.001 0.000 0.294 211 I C 0.681 176.780 176.117 -0.030 0.000 1.237 211 I CA 0.347 61.620 61.300 -0.045 0.000 1.417 211 I CB 0.411 38.382 38.000 -0.048 0.000 1.340 211 I HN 0.021 nan 8.210 nan 0.000 0.594 212 D N 6.877 127.252 120.400 -0.043 0.000 2.383 212 D HA 0.036 4.677 4.640 0.001 0.000 0.245 212 D C 1.135 177.424 176.300 -0.018 0.000 1.263 212 D CA 0.064 54.047 54.000 -0.028 0.000 0.936 212 D CB 0.541 41.323 40.800 -0.031 0.000 1.053 212 D HN 0.405 nan 8.370 nan 0.000 0.507 213 R N 2.538 123.031 120.500 -0.012 0.000 2.081 213 R HA -0.178 4.163 4.340 0.001 0.000 0.235 213 R C 1.592 177.881 176.300 -0.017 0.000 1.131 213 R CA 0.969 57.061 56.100 -0.014 0.000 0.960 213 R CB -0.117 30.173 30.300 -0.017 0.000 0.856 213 R HN 0.438 nan 8.270 nan 0.000 0.436 214 E N 1.351 121.544 120.200 -0.011 0.000 2.038 214 E HA -0.200 4.151 4.350 0.001 0.000 0.195 214 E C 1.954 178.554 176.600 0.000 0.000 1.000 214 E CA 1.620 58.017 56.400 -0.004 0.000 0.803 214 E CB -0.372 29.327 29.700 -0.001 0.000 0.750 214 E HN 0.215 nan 8.360 nan 0.000 0.448 215 M N -0.265 119.333 119.600 -0.004 0.000 2.144 215 M HA -0.209 4.272 4.480 0.001 0.000 0.260 215 M C 1.900 178.203 176.300 0.005 0.000 1.067 215 M CA 1.585 56.884 55.300 -0.001 0.000 1.095 215 M CB -0.123 32.470 32.600 -0.012 0.000 1.365 215 M HN 0.254 nan 8.290 nan 0.000 0.406 216 L N -0.436 120.786 121.223 -0.001 0.000 2.056 216 L HA -0.192 4.149 4.340 0.001 0.000 0.207 216 L C 2.808 179.672 176.870 -0.009 0.000 1.078 216 L CA 1.342 56.182 54.840 0.001 0.000 0.749 216 L CB -0.766 41.292 42.059 -0.002 0.000 0.901 216 L HN 0.393 nan 8.230 nan 0.000 0.433 217 R N -0.375 120.116 120.500 -0.015 0.000 2.096 217 R HA -0.188 4.153 4.340 0.001 0.000 0.235 217 R C 2.471 178.825 176.300 0.089 0.000 1.127 217 R CA 1.757 57.868 56.100 0.019 0.000 0.968 217 R CB -0.187 30.128 30.300 0.025 0.000 0.861 217 R HN 0.276 nan 8.270 nan 0.000 0.440 218 S N 0.378 116.111 115.700 0.055 0.000 2.345 218 S HA -0.115 4.356 4.470 0.001 0.000 0.220 218 S C 1.647 176.286 174.600 0.066 0.000 1.031 218 S CA 1.095 59.329 58.200 0.056 0.000 0.996 218 S CB -0.119 63.101 63.200 0.032 0.000 0.882 218 S HN 0.369 nan 8.310 nan 0.000 0.445 219 E N 1.233 121.467 120.200 0.057 0.000 2.070 219 E HA -0.134 4.217 4.350 0.001 0.000 0.197 219 E C 2.065 178.718 176.600 0.089 0.000 1.004 219 E CA 1.276 57.712 56.400 0.060 0.000 0.805 219 E CB -0.562 29.168 29.700 0.050 0.000 0.744 219 E HN 0.570 nan 8.360 nan 0.000 0.451 220 L N 0.492 121.797 121.223 0.136 0.000 2.554 220 L HA 0.016 4.357 4.340 0.001 0.000 0.226 220 L C 0.016 177.049 176.870 0.272 0.000 1.137 220 L CA -0.076 54.901 54.840 0.227 0.000 0.863 220 L CB -0.297 41.940 42.059 0.296 0.000 0.985 220 L HN 0.038 nan 8.230 nan 0.000 0.451 221 D N 0.041 120.567 120.400 0.210 0.000 3.620 221 D HA -0.235 4.406 4.640 0.001 0.000 0.237 221 D C -0.885 175.485 176.300 0.117 0.000 1.111 221 D CA 0.570 54.643 54.000 0.122 0.000 1.070 221 D CB -0.774 40.040 40.800 0.023 0.000 0.891 221 D HN -0.034 nan 8.370 nan 0.000 0.412 222 F N 0.303 120.242 119.950 -0.018 0.000 2.561 222 F HA 0.698 5.226 4.527 0.001 0.000 0.321 222 F C 1.433 177.222 175.800 -0.019 0.000 1.065 222 F CA -0.204 57.782 58.000 -0.024 0.000 0.934 222 F CB 1.341 40.323 39.000 -0.030 0.000 1.215 222 F HN 0.163 nan 8.300 nan 0.000 0.471 223 A N 1.152 124.049 122.820 0.128 0.000 1.855 223 A HA 0.100 4.421 4.320 0.001 0.000 0.215 223 A C 0.844 178.483 177.584 0.091 0.000 1.191 223 A CA 1.657 53.739 52.037 0.074 0.000 0.613 223 A CB -0.397 18.624 19.000 0.035 0.000 0.829 223 A HN 0.587 nan 8.150 nan 0.000 0.442 224 S N -2.615 113.157 115.700 0.120 0.000 2.900 224 S HA 0.738 5.209 4.470 0.001 0.000 0.320 224 S C -0.853 173.786 174.600 0.064 0.000 1.130 224 S CA -0.477 57.770 58.200 0.077 0.000 0.863 224 S CB 1.086 64.320 63.200 0.056 0.000 1.295 224 S HN 0.274 nan 8.310 nan 0.000 0.596 225 I N 1.551 122.134 120.570 0.021 0.000 2.545 225 I HA 0.330 4.501 4.170 0.001 0.000 0.292 225 I C 0.093 176.198 176.117 -0.020 0.000 1.040 225 I CA -0.704 60.583 61.300 -0.022 0.000 1.068 225 I CB 2.092 40.077 38.000 -0.025 0.000 1.251 225 I HN 0.727 nan 8.210 nan 0.000 0.424 226 S N 5.915 121.588 115.700 -0.045 0.000 2.702 226 S HA 0.005 4.476 4.470 0.001 0.000 0.314 226 S C 0.971 175.565 174.600 -0.010 0.000 1.244 226 S CA -0.066 58.118 58.200 -0.027 0.000 1.058 226 S CB 0.280 63.453 63.200 -0.046 0.000 0.783 226 S HN 0.616 nan 8.310 nan 0.000 0.503 227 L N 2.560 123.786 121.223 0.004 0.000 2.044 227 L HA 0.031 4.371 4.340 0.001 0.000 0.205 227 L C 1.343 178.217 176.870 0.006 0.000 1.075 227 L CA 1.323 56.167 54.840 0.007 0.000 0.747 227 L CB -0.436 41.632 42.059 0.014 0.000 0.903 227 L HN 0.844 nan 8.230 nan 0.000 0.435 228 N N -1.294 117.412 118.700 0.010 0.000 2.448 228 N HA 0.062 4.802 4.740 0.001 0.000 0.279 228 N C 0.916 176.433 175.510 0.011 0.000 1.025 228 N CA 0.121 53.177 53.050 0.010 0.000 0.898 228 N CB 1.415 39.911 38.487 0.015 0.000 1.303 228 N HN 0.018 nan 8.380 nan 0.000 0.495 229 S N 4.042 119.745 115.700 0.006 0.000 2.365 229 S HA -0.287 4.184 4.470 0.001 0.000 0.225 229 S C 1.777 176.387 174.600 0.016 0.000 1.039 229 S CA 1.042 59.245 58.200 0.005 0.000 1.033 229 S CB -0.368 62.832 63.200 -0.001 0.000 0.887 229 S HN 0.680 nan 8.310 nan 0.000 0.447 230 M N 1.606 121.218 119.600 0.019 0.000 2.073 230 M HA -0.169 4.312 4.480 0.001 0.000 0.258 230 M C 2.309 178.631 176.300 0.036 0.000 1.070 230 M CA 2.384 57.700 55.300 0.027 0.000 1.103 230 M CB -0.752 31.861 32.600 0.022 0.000 1.321 230 M HN 0.459 nan 8.290 nan 0.000 0.405 231 D N 0.014 120.434 120.400 0.034 0.000 2.095 231 D HA -0.173 4.468 4.640 0.001 0.000 0.192 231 D C 1.831 178.168 176.300 0.061 0.000 0.990 231 D CA 2.230 56.257 54.000 0.044 0.000 0.836 231 D CB -0.125 40.699 40.800 0.040 0.000 0.979 231 D HN 0.294 nan 8.370 nan 0.000 0.447 232 A N 0.092 122.943 122.820 0.051 0.000 1.954 232 A HA -0.249 4.071 4.320 0.001 0.000 0.222 232 A C 2.535 180.167 177.584 0.080 0.000 1.199 232 A CA 1.952 54.022 52.037 0.056 0.000 0.657 232 A CB -1.074 17.933 19.000 0.012 0.000 0.823 232 A HN 0.511 nan 8.150 nan 0.000 0.463 233 I N -0.176 120.436 120.570 0.070 0.000 2.406 233 I HA -0.148 4.022 4.170 0.001 0.000 0.249 233 I C 2.364 178.568 176.117 0.145 0.000 1.122 233 I CA 1.490 62.848 61.300 0.098 0.000 1.431 233 I CB -0.060 37.982 38.000 0.070 0.000 1.087 233 I HN 0.517 nan 8.210 nan 0.000 0.424 234 S N -0.096 115.668 115.700 0.108 0.000 2.556 234 S HA 0.067 4.537 4.470 0.001 0.000 0.216 234 S C 0.453 175.088 174.600 0.057 0.000 0.970 234 S CA -0.559 57.688 58.200 0.078 0.000 0.912 234 S CB -0.433 62.797 63.200 0.050 0.000 0.790 234 S HN 0.438 nan 8.310 nan 0.000 0.504 235 E N 0.942 121.199 120.200 0.096 0.000 2.242 235 E HA 0.568 4.919 4.350 0.001 0.000 0.275 235 E C 0.172 176.837 176.600 0.109 0.000 1.002 235 E CA -0.963 55.492 56.400 0.091 0.000 0.841 235 E CB 0.728 30.500 29.700 0.120 0.000 1.109 235 E HN -0.080 nan 8.360 nan 0.000 0.394 236 R N 2.120 122.594 120.500 -0.043 0.000 2.615 236 R HA 0.126 4.467 4.340 0.001 0.000 0.448 236 R C -0.425 175.650 176.300 -0.374 0.000 1.009 236 R CA -0.197 55.694 56.100 -0.349 0.000 1.111 236 R CB 0.052 30.164 30.300 -0.313 0.000 1.461 236 R HN 0.628 nan 8.270 nan 0.000 0.587 237 D N 0.876 121.214 120.400 -0.102 0.000 2.133 237 D HA -0.200 4.440 4.640 0.001 0.000 0.195 237 D C 1.662 177.940 176.300 -0.037 0.000 0.997 237 D CA 1.486 55.468 54.000 -0.030 0.000 0.840 237 D CB -0.288 40.556 40.800 0.072 0.000 0.947 237 D HN 0.349 nan 8.370 nan 0.000 0.452 238 F N 0.021 120.006 119.950 0.058 0.000 2.202 238 F HA -0.149 4.379 4.527 0.002 0.000 0.301 238 F C 2.047 177.915 175.800 0.112 0.000 1.082 238 F CA 0.606 58.652 58.000 0.077 0.000 1.313 238 F CB -1.009 38.030 39.000 0.065 0.000 1.024 238 F HN -0.146 nan 8.300 nan 0.000 0.495 239 V N 0.601 120.119 119.914 -0.660 0.000 2.255 239 V HA -0.205 3.916 4.120 0.001 0.000 0.243 239 V C 2.573 178.627 176.094 -0.068 0.000 1.038 239 V CA 1.533 63.642 62.300 -0.317 0.000 1.008 239 V CB -0.661 30.867 31.823 -0.491 0.000 0.645 239 V HN 0.341 nan 8.190 nan 0.000 0.449 240 V N 0.307 120.138 119.914 -0.138 0.000 2.233 240 V HA -0.358 3.763 4.120 0.001 0.000 0.247 240 V C 2.529 178.614 176.094 -0.015 0.000 1.050 240 V CA 2.623 64.880 62.300 -0.071 0.000 1.010 240 V CB -0.668 31.107 31.823 -0.080 0.000 0.637 240 V HN 0.739 nan 8.190 nan 0.000 0.444 241 E N -0.445 119.767 120.200 0.020 0.000 2.130 241 E HA -0.310 4.041 4.350 0.001 0.000 0.196 241 E C 2.080 178.733 176.600 0.089 0.000 0.998 241 E CA 1.998 58.431 56.400 0.055 0.000 0.806 241 E CB -0.297 29.456 29.700 0.088 0.000 0.738 241 E HN 0.586 nan 8.360 nan 0.000 0.459 242 F N 1.151 121.108 119.950 0.011 0.000 2.146 242 F HA -0.081 4.447 4.527 0.002 0.000 0.298 242 F C 1.780 177.588 175.800 0.013 0.000 1.096 242 F CA 1.257 59.274 58.000 0.028 0.000 1.275 242 F CB -0.232 38.801 39.000 0.055 0.000 1.008 242 F HN 0.003 nan 8.300 nan 0.000 0.480 243 L N -0.433 120.651 121.223 -0.231 0.000 2.275 243 L HA -0.174 4.167 4.340 0.001 0.000 0.215 243 L C 2.378 179.111 176.870 -0.228 0.000 1.119 243 L CA 1.019 55.665 54.840 -0.324 0.000 0.790 243 L CB -0.802 41.172 42.059 -0.141 0.000 0.919 243 L HN 0.146 nan 8.230 nan 0.000 0.443 244 S N -0.531 115.084 115.700 -0.141 0.000 2.345 244 S HA -0.115 4.356 4.470 0.001 0.000 0.219 244 S C 2.066 176.596 174.600 -0.116 0.000 1.031 244 S CA 0.910 59.057 58.200 -0.087 0.000 0.984 244 S CB -0.201 62.972 63.200 -0.044 0.000 0.874 244 S HN 0.124 nan 8.310 nan 0.000 0.451 245 V N 2.483 122.325 119.914 -0.121 0.000 2.282 245 V HA -0.270 3.850 4.120 0.001 0.000 0.249 245 V C 2.698 178.692 176.094 -0.166 0.000 1.057 245 V CA 1.891 64.128 62.300 -0.106 0.000 1.032 245 V CB -1.266 30.533 31.823 -0.039 0.000 0.645 245 V HN 0.546 nan 8.190 nan 0.000 0.447 246 A N -0.520 122.112 122.820 -0.313 0.000 1.908 246 A HA -0.246 4.075 4.320 0.001 0.000 0.218 246 A C 2.392 179.870 177.584 -0.176 0.000 1.181 246 A CA 2.594 54.443 52.037 -0.313 0.000 0.627 246 A CB -1.002 17.657 19.000 -0.570 0.000 0.818 246 A HN 0.521 nan 8.150 nan 0.000 0.445 247 T N 0.115 114.581 114.554 -0.147 0.000 2.746 247 T HA -0.075 4.276 4.350 0.001 0.000 0.267 247 T C 1.834 176.470 174.700 -0.108 0.000 1.039 247 T CA 1.223 63.281 62.100 -0.070 0.000 1.142 247 T CB -0.304 68.573 68.868 0.014 0.000 0.866 247 T HN 0.344 nan 8.240 nan 0.000 0.444 248 L N 0.648 121.782 121.223 -0.149 0.000 2.027 248 L HA -0.057 4.284 4.340 0.001 0.000 0.206 248 L C 2.437 179.126 176.870 -0.301 0.000 1.074 248 L CA 1.141 55.830 54.840 -0.252 0.000 0.745 248 L CB -0.446 41.458 42.059 -0.258 0.000 0.898 248 L HN 0.250 nan 8.230 nan 0.000 0.433 249 L N -0.160 120.968 121.223 -0.159 0.000 2.021 249 L HA -0.311 4.030 4.340 0.001 0.000 0.215 249 L C 2.498 179.362 176.870 -0.010 0.000 1.074 249 L CA 2.046 56.865 54.840 -0.035 0.000 0.760 249 L CB -0.665 41.388 42.059 -0.010 0.000 0.889 249 L HN 0.231 nan 8.230 nan 0.000 0.433 250 M N -1.165 118.406 119.600 -0.047 0.000 2.117 250 M HA -0.180 4.301 4.480 0.001 0.000 0.262 250 M C 2.410 178.689 176.300 -0.034 0.000 1.065 250 M CA 1.656 56.938 55.300 -0.030 0.000 1.114 250 M CB -1.085 31.496 32.600 -0.032 0.000 1.361 250 M HN 0.271 nan 8.290 nan 0.000 0.408 251 I N -0.664 119.855 120.570 -0.084 0.000 2.226 251 I HA -0.295 3.876 4.170 0.001 0.000 0.245 251 I C 2.312 178.431 176.117 0.003 0.000 1.100 251 I CA 1.423 62.674 61.300 -0.081 0.000 1.374 251 I CB -0.582 37.330 38.000 -0.147 0.000 1.057 251 I HN 0.379 nan 8.210 nan 0.000 0.413 252 H N -0.234 118.813 119.070 -0.038 0.000 2.319 252 H HA -0.192 4.365 4.556 0.001 0.000 0.297 252 H C 2.227 177.540 175.328 -0.024 0.000 1.097 252 H CA 1.439 57.473 56.048 -0.023 0.000 1.285 252 H CB -0.104 29.644 29.762 -0.024 0.000 1.368 252 H HN 0.243 nan 8.280 nan 0.000 0.495 253 L N 0.288 121.567 121.223 0.094 0.000 2.217 253 L HA -0.129 4.212 4.340 0.001 0.000 0.211 253 L C 2.703 179.556 176.870 -0.029 0.000 1.107 253 L CA 1.001 55.841 54.840 -0.001 0.000 0.783 253 L CB -0.324 41.730 42.059 -0.009 0.000 0.919 253 L HN 0.363 nan 8.230 nan 0.000 0.442 254 S N -0.152 115.540 115.700 -0.014 0.000 2.423 254 S HA -0.225 4.245 4.470 0.001 0.000 0.231 254 S C 1.968 176.548 174.600 -0.033 0.000 1.014 254 S CA 1.026 59.208 58.200 -0.030 0.000 0.965 254 S CB -0.199 62.982 63.200 -0.032 0.000 0.785 254 S HN 0.400 nan 8.310 nan 0.000 0.495 255 K N 0.402 120.801 120.400 -0.003 0.000 2.296 255 K HA 0.166 4.487 4.320 0.001 0.000 0.200 255 K C 2.182 178.779 176.600 -0.005 0.000 1.048 255 K CA 0.836 57.137 56.287 0.024 0.000 0.966 255 K CB -0.181 32.372 32.500 0.088 0.000 0.754 255 K HN 0.505 nan 8.250 nan 0.000 0.466 256 M N -0.251 119.276 119.600 -0.121 0.000 2.325 256 M HA 0.039 4.520 4.480 0.001 0.000 0.265 256 M C 2.015 178.183 176.300 -0.220 0.000 1.094 256 M CA 1.147 56.229 55.300 -0.362 0.000 1.161 256 M CB 0.016 32.273 32.600 -0.572 0.000 1.358 256 M HN 0.204 nan 8.290 nan 0.000 0.446 257 A N 0.568 123.298 122.820 -0.150 0.000 1.873 257 A HA -0.281 4.039 4.320 0.001 0.000 0.218 257 A C 1.832 179.339 177.584 -0.128 0.000 1.193 257 A CA 2.413 54.380 52.037 -0.116 0.000 0.629 257 A CB -1.048 17.905 19.000 -0.078 0.000 0.826 257 A HN 0.650 nan 8.150 nan 0.000 0.447 258 E N 0.236 120.365 120.200 -0.118 0.000 2.038 258 E HA -0.222 4.129 4.350 0.001 0.000 0.195 258 E C 1.577 178.045 176.600 -0.220 0.000 1.000 258 E CA 1.856 58.176 56.400 -0.133 0.000 0.803 258 E CB -0.300 29.344 29.700 -0.092 0.000 0.750 258 E HN 0.550 nan 8.360 nan 0.000 0.448 259 D N -0.080 120.180 120.400 -0.233 0.000 2.103 259 D HA -0.173 4.468 4.640 0.001 0.000 0.190 259 D C 2.074 177.949 176.300 -0.708 0.000 0.997 259 D CA 1.462 55.190 54.000 -0.454 0.000 0.833 259 D CB -0.326 40.383 40.800 -0.152 0.000 0.961 259 D HN 0.269 nan 8.370 nan 0.000 0.447 260 L N 0.345 121.354 121.223 -0.357 0.000 2.201 260 L HA -0.066 4.275 4.340 0.001 0.000 0.212 260 L C 2.563 179.346 176.870 -0.146 0.000 1.105 260 L CA 0.306 55.030 54.840 -0.194 0.000 0.775 260 L CB -0.216 41.819 42.059 -0.039 0.000 0.913 260 L HN 0.025 nan 8.230 nan 0.000 0.440 261 I N 0.152 120.619 120.570 -0.171 0.000 2.142 261 I HA -0.325 3.846 4.170 0.001 0.000 0.240 261 I C 2.464 178.475 176.117 -0.177 0.000 1.078 261 I CA 1.622 62.844 61.300 -0.131 0.000 1.343 261 I CB -0.135 37.794 38.000 -0.118 0.000 1.046 261 I HN 0.158 nan 8.210 nan 0.000 0.405 262 I N -0.249 120.144 120.570 -0.294 0.000 2.142 262 I HA -0.327 3.844 4.170 0.001 0.000 0.240 262 I C 2.304 178.135 176.117 -0.476 0.000 1.078 262 I CA 1.456 62.479 61.300 -0.462 0.000 1.343 262 I CB -0.618 37.001 38.000 -0.636 0.000 1.046 262 I HN 0.213 nan 8.210 nan 0.000 0.405 263 Y N 0.917 120.928 120.300 -0.481 0.000 2.651 263 Y HA -0.127 4.424 4.550 0.001 0.000 0.296 263 Y C 2.738 178.574 175.900 -0.106 0.000 1.150 263 Y CA 0.813 58.768 58.100 -0.242 0.000 1.348 263 Y CB -1.119 37.380 38.460 0.066 0.000 0.983 263 Y HN 0.305 nan 8.280 nan 0.000 0.555 264 S N -1.554 114.167 115.700 0.035 0.000 2.540 264 S HA 0.054 4.525 4.470 0.001 0.000 0.218 264 S C 0.883 175.484 174.600 0.002 0.000 0.977 264 S CA -0.045 58.175 58.200 0.033 0.000 0.918 264 S CB -0.744 62.471 63.200 0.025 0.000 0.806 264 S HN 0.326 nan 8.310 nan 0.000 0.496 265 T N 0.532 115.070 114.554 -0.026 0.000 2.813 265 T HA 0.340 4.691 4.350 0.001 0.000 0.297 265 T C 1.427 176.139 174.700 0.020 0.000 1.036 265 T CA 0.099 62.197 62.100 -0.003 0.000 1.044 265 T CB 1.181 70.053 68.868 0.007 0.000 0.993 265 T HN 0.331 nan 8.240 nan 0.000 0.535 266 S N 0.314 116.023 115.700 0.016 0.000 2.406 266 S HA -0.110 4.361 4.470 0.001 0.000 0.228 266 S C 1.642 176.241 174.600 -0.002 0.000 1.020 266 S CA 0.813 59.014 58.200 0.003 0.000 0.965 266 S CB -0.692 62.508 63.200 0.000 0.000 0.798 266 S HN 0.764 nan 8.310 nan 0.000 0.488 267 E N 0.865 121.086 120.200 0.035 0.000 2.130 267 E HA -0.031 4.320 4.350 0.001 0.000 0.196 267 E C 1.334 177.902 176.600 -0.054 0.000 0.998 267 E CA 1.479 57.896 56.400 0.029 0.000 0.806 267 E CB -0.397 29.378 29.700 0.124 0.000 0.738 267 E HN 0.677 nan 8.360 nan 0.000 0.459 268 F N -1.347 118.438 119.950 -0.275 0.000 2.222 268 F HA 0.276 4.804 4.527 0.001 0.000 0.285 268 F C 1.810 177.252 175.800 -0.597 0.000 1.068 268 F CA 1.071 58.723 58.000 -0.579 0.000 1.265 268 F CB -0.375 38.195 39.000 -0.718 0.000 1.087 268 F HN 0.112 nan 8.300 nan 0.000 0.511 269 G N -0.214 108.492 108.800 -0.156 0.000 2.198 269 G HA2 -0.291 3.670 3.960 0.001 0.000 0.257 269 G HA3 -0.291 3.670 3.960 0.001 0.000 0.257 269 G C 0.626 175.544 174.900 0.029 0.000 1.042 269 G CA 0.392 45.447 45.100 -0.074 0.000 0.791 269 G HN 0.207 nan 8.290 nan 0.000 0.502 270 F N -0.630 119.320 119.950 -0.000 0.000 2.317 270 F HA 0.434 4.962 4.527 0.002 0.000 0.293 270 F C 1.524 177.231 175.800 -0.153 0.000 1.085 270 F CA 0.883 58.808 58.000 -0.126 0.000 1.390 270 F CB -0.227 38.648 39.000 -0.208 0.000 1.077 270 F HN 0.477 nan 8.300 nan 0.000 0.517 271 L N -3.894 117.409 121.223 0.133 0.000 2.720 271 L HA 0.803 5.144 4.340 0.001 0.000 0.261 271 L C -0.641 176.268 176.870 0.064 0.000 1.046 271 L CA -0.708 54.166 54.840 0.056 0.000 0.886 271 L CB 1.906 44.002 42.059 0.063 0.000 1.493 271 L HN -0.298 nan 8.230 nan 0.000 0.407 272 T N 0.489 115.074 114.554 0.052 0.000 3.032 272 T HA 0.675 5.026 4.350 0.001 0.000 0.312 272 T C -0.942 173.794 174.700 0.060 0.000 1.078 272 T CA -0.326 61.804 62.100 0.050 0.000 1.028 272 T CB 0.922 69.812 68.868 0.037 0.000 1.091 272 T HN 0.639 nan 8.240 nan 0.000 0.457 273 L N 3.657 124.920 121.223 0.066 0.000 2.476 273 L HA 0.498 4.838 4.340 0.001 0.000 0.255 273 L C 1.204 178.140 176.870 0.111 0.000 1.218 273 L CA 0.336 55.229 54.840 0.088 0.000 0.819 273 L CB 0.728 42.846 42.059 0.097 0.000 1.119 273 L HN 0.888 nan 8.230 nan 0.000 0.485 274 S N -0.803 115.000 115.700 0.171 0.000 2.652 274 S HA 0.186 4.657 4.470 0.001 0.000 0.270 274 S C 0.587 175.275 174.600 0.147 0.000 1.243 274 S CA -0.603 57.698 58.200 0.167 0.000 0.999 274 S CB 0.693 64.030 63.200 0.229 0.000 0.973 274 S HN 0.545 nan 8.310 nan 0.000 0.544 275 D N 1.308 121.755 120.400 0.079 0.000 2.265 275 D HA -0.015 4.626 4.640 0.001 0.000 0.208 275 D C 1.885 178.177 176.300 -0.013 0.000 0.977 275 D CA 1.543 55.564 54.000 0.034 0.000 0.871 275 D CB -0.564 40.244 40.800 0.012 0.000 0.925 275 D HN 0.714 nan 8.370 nan 0.000 0.485 276 A N -0.824 121.960 122.820 -0.060 0.000 2.119 276 A HA 0.021 4.342 4.320 0.001 0.000 0.216 276 A C 1.058 178.337 177.584 -0.507 0.000 1.152 276 A CA 0.377 52.226 52.037 -0.313 0.000 0.708 276 A CB -0.246 18.471 19.000 -0.472 0.000 0.805 276 A HN 0.178 nan 8.150 nan 0.000 0.460 277 F N -0.104 119.852 119.950 0.010 0.000 2.764 277 F HA 0.262 4.790 4.527 0.001 0.000 0.310 277 F C 0.828 176.631 175.800 0.006 0.000 1.124 277 F CA 0.325 58.330 58.000 0.008 0.000 1.252 277 F CB 0.481 39.488 39.000 0.011 0.000 1.010 277 F HN 0.197 nan 8.300 nan 0.000 0.518 278 S N -1.336 114.435 115.700 0.119 0.000 2.752 278 S HA 0.880 5.351 4.470 0.001 0.000 0.284 278 S C -0.407 174.214 174.600 0.035 0.000 1.189 278 S CA -0.193 58.055 58.200 0.079 0.000 0.835 278 S CB 2.388 65.637 63.200 0.081 0.000 1.192 278 S HN 0.058 nan 8.310 nan 0.000 0.506 279 T N -2.982 111.588 114.554 0.027 0.000 2.681 279 T HA 0.930 5.281 4.350 0.001 0.000 0.296 279 T C 0.014 174.722 174.700 0.013 0.000 1.157 279 T CA -0.317 61.791 62.100 0.013 0.000 1.025 279 T CB 0.939 69.812 68.868 0.009 0.000 1.441 279 T HN 2.209 nan 8.240 nan 0.000 0.504 280 G N -0.284 108.521 108.800 0.008 0.000 2.338 280 G HA2 0.493 4.453 3.960 0.001 0.000 0.295 280 G HA3 0.493 4.453 3.960 0.001 0.000 0.295 280 G C -1.094 173.809 174.900 0.005 0.000 1.461 280 G CA -0.145 44.960 45.100 0.007 0.000 0.817 280 G HN 0.957 nan 8.290 nan 0.000 0.556 281 S N -0.984 114.719 115.700 0.004 0.000 2.632 281 S HA 0.557 5.028 4.470 0.001 0.000 0.271 281 S C 1.579 176.180 174.600 0.003 0.000 1.260 281 S CA 0.389 58.590 58.200 0.003 0.000 1.010 281 S CB 1.271 64.472 63.200 0.003 0.000 0.965 281 S HN 0.723 nan 8.310 nan 0.000 0.534 282 S N 2.719 118.420 115.700 0.002 0.000 2.387 282 S HA -0.017 4.453 4.470 0.001 0.000 0.226 282 S C 1.698 176.299 174.600 0.002 0.000 1.026 282 S CA 0.679 58.880 58.200 0.001 0.000 0.972 282 S CB -0.258 62.942 63.200 0.001 0.000 0.814 282 S HN 0.661 nan 8.310 nan 0.000 0.477 283 L N 0.135 121.359 121.223 0.002 0.000 2.313 283 L HA 0.238 4.578 4.340 0.001 0.000 0.214 283 L C 0.814 177.685 176.870 0.002 0.000 1.119 283 L CA 1.166 56.007 54.840 0.001 0.000 0.809 283 L CB -1.276 40.784 42.059 0.001 0.000 0.933 283 L HN 0.359 nan 8.230 nan 0.000 0.449 284 M N 1.800 121.401 119.600 0.002 0.000 2.634 284 M HA 0.214 4.695 4.480 0.001 0.000 0.211 284 M C -1.530 174.772 176.300 0.004 0.000 1.019 284 M CA -1.190 54.111 55.300 0.003 0.000 0.834 284 M CB 1.564 34.166 32.600 0.003 0.000 1.376 284 M HN -0.198 nan 8.290 nan 0.000 0.465 285 P HA -0.165 nan 4.420 nan 0.000 0.234 285 P C 0.271 177.575 177.300 0.006 0.000 1.162 285 P CA 1.282 64.385 63.100 0.005 0.000 0.759 285 P CB 0.165 31.867 31.700 0.004 0.000 0.813 286 Q N -0.373 119.430 119.800 0.005 0.000 2.376 286 Q HA 0.072 4.413 4.340 0.001 0.000 0.206 286 Q C 1.131 177.135 176.000 0.007 0.000 0.921 286 Q CA 0.481 56.287 55.803 0.006 0.000 0.911 286 Q CB -0.385 28.355 28.738 0.003 0.000 1.032 286 Q HN 0.220 nan 8.270 nan 0.000 0.510 287 K N 1.868 122.272 120.400 0.007 0.000 2.383 287 K HA 0.118 4.439 4.320 0.001 0.000 0.286 287 K C -0.779 175.827 176.600 0.011 0.000 1.051 287 K CA 0.085 56.377 56.287 0.007 0.000 0.974 287 K CB 0.308 32.811 32.500 0.006 0.000 0.968 287 K HN -0.132 nan 8.250 nan 0.000 0.475 288 K N 4.341 124.748 120.400 0.013 0.000 2.559 288 K HA 0.226 4.546 4.320 0.001 0.000 0.249 288 K C -1.185 175.426 176.600 0.018 0.000 0.958 288 K CA -0.756 55.542 56.287 0.019 0.000 0.901 288 K CB 0.796 33.311 32.500 0.025 0.000 1.124 288 K HN 0.619 nan 8.250 nan 0.000 0.437 289 N N 4.970 123.680 118.700 0.018 0.000 2.434 289 N HA 0.159 4.900 4.740 0.001 0.000 0.272 289 N C -2.368 173.157 175.510 0.025 0.000 1.040 289 N CA -1.531 51.528 53.050 0.016 0.000 0.956 289 N CB 1.325 39.819 38.487 0.012 0.000 1.108 289 N HN 0.338 nan 8.380 nan 0.000 0.481 290 P HA 0.129 nan 4.420 nan 0.000 0.226 290 P C -0.327 176.991 177.300 0.031 0.000 1.783 290 P CA -0.142 62.976 63.100 0.030 0.000 0.980 290 P CB 0.083 31.788 31.700 0.008 0.000 1.967 291 D N 1.121 121.545 120.400 0.039 0.000 2.127 291 D HA -0.234 4.407 4.640 0.001 0.000 0.190 291 D C 2.305 178.633 176.300 0.047 0.000 1.000 291 D CA 2.568 56.590 54.000 0.036 0.000 0.839 291 D CB -0.586 40.236 40.800 0.036 0.000 0.955 291 D HN 0.287 nan 8.370 nan 0.000 0.446 292 S N 0.672 116.423 115.700 0.086 0.000 2.393 292 S HA -0.289 4.182 4.470 0.001 0.000 0.235 292 S C 2.139 176.768 174.600 0.049 0.000 1.061 292 S CA 1.413 59.678 58.200 0.109 0.000 1.129 292 S CB -1.093 62.236 63.200 0.215 0.000 1.011 292 S HN 0.319 nan 8.310 nan 0.000 0.436 293 L N 1.514 122.750 121.223 0.022 0.000 2.083 293 L HA -0.113 4.228 4.340 0.001 0.000 0.209 293 L C 3.064 179.925 176.870 -0.014 0.000 1.083 293 L CA 1.819 56.650 54.840 -0.015 0.000 0.752 293 L CB -0.775 41.263 42.059 -0.035 0.000 0.899 293 L HN 0.467 nan 8.230 nan 0.000 0.433 294 E N 0.343 120.541 120.200 -0.004 0.000 2.031 294 E HA -0.229 4.122 4.350 0.001 0.000 0.193 294 E C 2.344 178.944 176.600 -0.000 0.000 0.994 294 E CA 1.200 57.597 56.400 -0.006 0.000 0.800 294 E CB -0.231 29.468 29.700 -0.001 0.000 0.752 294 E HN 0.425 nan 8.360 nan 0.000 0.447 295 L N 0.862 122.091 121.223 0.011 0.000 1.971 295 L HA -0.267 4.073 4.340 0.001 0.000 0.215 295 L C 2.587 179.463 176.870 0.009 0.000 1.072 295 L CA 1.286 56.135 54.840 0.014 0.000 0.758 295 L CB -0.567 41.507 42.059 0.025 0.000 0.889 295 L HN 0.168 nan 8.230 nan 0.000 0.433 296 I N -0.640 119.933 120.570 0.006 0.000 2.087 296 I HA -0.406 3.765 4.170 0.001 0.000 0.240 296 I C 2.873 178.985 176.117 -0.009 0.000 1.054 296 I CA 1.683 62.982 61.300 -0.003 0.000 1.311 296 I CB -0.470 37.521 38.000 -0.015 0.000 1.024 296 I HN 0.286 nan 8.210 nan 0.000 0.402 297 R N 1.125 121.615 120.500 -0.018 0.000 2.094 297 R HA -0.257 4.084 4.340 0.001 0.000 0.239 297 R C 2.559 178.853 176.300 -0.011 0.000 1.137 297 R CA 2.535 58.622 56.100 -0.022 0.000 0.943 297 R CB -0.412 29.870 30.300 -0.030 0.000 0.850 297 R HN 0.520 nan 8.270 nan 0.000 0.433 298 S N 0.394 116.091 115.700 -0.004 0.000 2.400 298 S HA -0.121 4.350 4.470 0.001 0.000 0.232 298 S C 1.607 176.215 174.600 0.014 0.000 1.025 298 S CA 1.141 59.344 58.200 0.005 0.000 0.993 298 S CB -0.164 63.040 63.200 0.007 0.000 0.808 298 S HN 0.279 nan 8.310 nan 0.000 0.478 299 K N 1.838 122.245 120.400 0.012 0.000 2.360 299 K HA 0.207 4.528 4.320 0.001 0.000 0.201 299 K C 2.275 178.889 176.600 0.023 0.000 1.046 299 K CA 0.965 57.263 56.287 0.018 0.000 0.945 299 K CB -1.237 31.272 32.500 0.015 0.000 0.750 299 K HN 0.565 nan 8.250 nan 0.000 0.464 300 A N 1.191 124.020 122.820 0.015 0.000 1.883 300 A HA -0.114 4.207 4.320 0.001 0.000 0.217 300 A C 2.510 180.137 177.584 0.071 0.000 1.186 300 A CA 2.151 54.198 52.037 0.016 0.000 0.624 300 A CB -1.123 17.867 19.000 -0.016 0.000 0.822 300 A HN 0.369 nan 8.150 nan 0.000 0.444 301 G N -0.677 108.169 108.800 0.076 0.000 2.418 301 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 301 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 301 G C 1.702 176.683 174.900 0.136 0.000 1.158 301 G CA 1.114 46.305 45.100 0.151 0.000 0.771 301 G HN 0.623 nan 8.290 nan 0.000 0.545 302 R N 0.072 120.613 120.500 0.068 0.000 2.103 302 R HA -0.104 4.237 4.340 0.001 0.000 0.234 302 R C 2.599 178.913 176.300 0.024 0.000 1.132 302 R CA 2.137 58.259 56.100 0.035 0.000 0.925 302 R CB -0.758 29.558 30.300 0.027 0.000 0.842 302 R HN 0.193 nan 8.270 nan 0.000 0.430 303 V N 1.217 121.151 119.914 0.033 0.000 2.219 303 V HA -0.298 3.823 4.120 0.001 0.000 0.248 303 V C 2.223 178.330 176.094 0.022 0.000 1.053 303 V CA 2.271 64.576 62.300 0.009 0.000 1.009 303 V CB -0.972 30.848 31.823 -0.006 0.000 0.636 303 V HN 0.452 nan 8.190 nan 0.000 0.445 304 F N 2.148 122.059 119.950 -0.065 0.000 2.063 304 F HA -0.284 4.243 4.527 0.001 0.000 0.297 304 F C 2.155 177.923 175.800 -0.053 0.000 1.099 304 F CA 1.995 59.956 58.000 -0.064 0.000 1.220 304 F CB -1.249 37.719 39.000 -0.055 0.000 0.972 304 F HN 0.151 nan 8.300 nan 0.000 0.487 305 G N 0.755 109.356 108.800 -0.331 0.000 2.513 305 G HA2 -0.320 3.641 3.960 0.001 0.000 0.219 305 G HA3 -0.320 3.641 3.960 0.001 0.000 0.219 305 G C 1.841 176.537 174.900 -0.339 0.000 1.160 305 G CA 1.033 45.884 45.100 -0.415 0.000 0.767 305 G HN 0.313 nan 8.290 nan 0.000 0.571 306 R N -0.206 120.172 120.500 -0.202 0.000 2.081 306 R HA -0.017 4.324 4.340 0.001 0.000 0.235 306 R C 2.501 178.697 176.300 -0.174 0.000 1.131 306 R CA 1.091 57.101 56.100 -0.150 0.000 0.960 306 R CB -1.211 29.039 30.300 -0.084 0.000 0.856 306 R HN 0.469 nan 8.270 nan 0.000 0.436 307 L N 0.938 122.044 121.223 -0.195 0.000 2.017 307 L HA -0.063 4.278 4.340 0.001 0.000 0.208 307 L C 2.225 178.972 176.870 -0.205 0.000 1.073 307 L CA 2.167 56.910 54.840 -0.162 0.000 0.745 307 L CB -0.844 41.162 42.059 -0.088 0.000 0.894 307 L HN 0.144 nan 8.230 nan 0.000 0.432 308 A N -1.312 121.288 122.820 -0.366 0.000 1.969 308 A HA -0.194 4.127 4.320 0.001 0.000 0.218 308 A C 2.500 179.950 177.584 -0.224 0.000 1.169 308 A CA 1.814 53.650 52.037 -0.335 0.000 0.635 308 A CB -1.098 17.556 19.000 -0.577 0.000 0.810 308 A HN 0.633 nan 8.150 nan 0.000 0.445 309 S N 0.074 115.640 115.700 -0.224 0.000 2.354 309 S HA -0.169 4.302 4.470 0.001 0.000 0.219 309 S C 1.952 176.475 174.600 -0.128 0.000 1.035 309 S CA 1.618 59.723 58.200 -0.158 0.000 1.037 309 S CB -0.575 62.538 63.200 -0.145 0.000 0.956 309 S HN 0.475 nan 8.310 nan 0.000 0.428 310 I N 0.973 121.466 120.570 -0.128 0.000 2.163 310 I HA -0.155 4.016 4.170 0.001 0.000 0.243 310 I C 2.469 178.522 176.117 -0.106 0.000 1.085 310 I CA 0.838 62.068 61.300 -0.116 0.000 1.347 310 I CB -0.470 37.458 38.000 -0.120 0.000 1.044 310 I HN 0.313 nan 8.210 nan 0.000 0.408 311 L N 0.216 121.377 121.223 -0.104 0.000 1.991 311 L HA -0.317 4.024 4.340 0.001 0.000 0.221 311 L C 2.603 179.428 176.870 -0.077 0.000 1.079 311 L CA 2.164 56.954 54.840 -0.083 0.000 0.778 311 L CB -0.867 41.148 42.059 -0.073 0.000 0.893 311 L HN 0.283 nan 8.230 nan 0.000 0.437 312 M N -1.633 117.917 119.600 -0.082 0.000 2.082 312 M HA -0.245 4.236 4.480 0.001 0.000 0.258 312 M C 2.109 178.367 176.300 -0.070 0.000 1.069 312 M CA 2.058 57.316 55.300 -0.070 0.000 1.102 312 M CB -0.194 32.361 32.600 -0.073 0.000 1.336 312 M HN 0.105 nan 8.290 nan 0.000 0.404 313 V N 0.990 120.856 119.914 -0.081 0.000 2.250 313 V HA -0.343 3.778 4.120 0.001 0.000 0.250 313 V C 2.372 178.418 176.094 -0.081 0.000 1.060 313 V CA 2.350 64.601 62.300 -0.083 0.000 1.030 313 V CB -0.971 30.795 31.823 -0.094 0.000 0.643 313 V HN 0.579 nan 8.190 nan 0.000 0.445 314 L N -0.488 120.686 121.223 -0.082 0.000 2.046 314 L HA -0.089 4.252 4.340 0.001 0.000 0.208 314 L C 1.631 178.466 176.870 -0.058 0.000 1.077 314 L CA 0.947 55.742 54.840 -0.074 0.000 0.747 314 L CB -0.518 41.496 42.059 -0.074 0.000 0.896 314 L HN 0.215 nan 8.230 nan 0.000 0.432 315 K N 1.461 121.830 120.400 -0.052 0.000 2.440 315 K HA -0.097 4.224 4.320 0.001 0.000 0.275 315 K C 0.936 177.514 176.600 -0.038 0.000 1.082 315 K CA 1.089 57.352 56.287 -0.041 0.000 1.135 315 K CB -0.021 32.457 32.500 -0.037 0.000 0.864 315 K HN 0.407 nan 8.250 nan 0.000 0.479 316 G N 3.545 112.326 108.800 -0.031 0.000 2.179 316 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 316 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 316 G C 0.260 175.141 174.900 -0.032 0.000 0.977 316 G CA 0.203 45.286 45.100 -0.028 0.000 0.641 316 G HN 0.570 nan 8.290 nan 0.000 0.533 317 L N 2.930 124.129 121.223 -0.040 0.000 2.455 317 L HA 0.304 4.645 4.340 0.001 0.000 0.272 317 L C -0.448 176.400 176.870 -0.037 0.000 1.174 317 L CA -1.367 53.445 54.840 -0.047 0.000 0.869 317 L CB 0.470 42.490 42.059 -0.065 0.000 1.130 317 L HN 0.141 nan 8.230 nan 0.000 0.474 318 P HA 0.077 nan 4.420 nan 0.000 0.272 318 P C -0.584 176.705 177.300 -0.018 0.000 1.240 318 P CA -0.516 62.571 63.100 -0.021 0.000 0.791 318 P CB 0.739 32.428 31.700 -0.018 0.000 0.978 319 S N 0.455 116.151 115.700 -0.006 0.000 2.549 319 S HA 0.350 4.821 4.470 0.001 0.000 0.283 319 S C -0.014 174.594 174.600 0.014 0.000 1.320 319 S CA 0.503 58.705 58.200 0.003 0.000 1.058 319 S CB -0.503 62.702 63.200 0.008 0.000 0.882 319 S HN 0.782 nan 8.310 nan 0.000 0.498 320 T N 1.264 115.833 114.554 0.024 0.000 0.595 320 T HA -0.211 4.139 4.350 0.001 0.000 0.770 320 T C -0.587 174.155 174.700 0.069 0.000 0.993 320 T CA -0.482 61.653 62.100 0.059 0.000 4.059 320 T CB -0.963 67.945 68.868 0.067 0.000 2.305 320 T HN 0.610 nan 8.240 nan 0.000 0.397 321 Y N 2.882 123.181 120.300 -0.000 0.000 2.709 321 Y HA 0.349 4.900 4.550 0.002 0.000 0.348 321 Y C 0.664 176.562 175.900 -0.004 0.000 1.267 321 Y CA 0.662 58.761 58.100 -0.001 0.000 1.486 321 Y CB 0.408 38.866 38.460 -0.003 0.000 1.356 321 Y HN 0.622 nan 8.280 nan 0.000 0.639 322 N N 3.586 121.774 118.700 -0.854 0.000 2.521 322 N HA 0.043 4.784 4.740 0.001 0.000 0.269 322 N C -0.209 174.847 175.510 -0.757 0.000 1.079 322 N CA -0.736 52.011 53.050 -0.505 0.000 0.980 322 N CB 1.870 40.194 38.487 -0.272 0.000 1.667 322 N HN 0.533 nan 8.380 nan 0.000 0.498 323 K N 0.826 121.027 120.400 -0.332 0.000 2.362 323 K HA -0.133 4.188 4.320 0.001 0.000 0.202 323 K C 0.085 176.579 176.600 -0.176 0.000 1.045 323 K CA 1.362 57.553 56.287 -0.160 0.000 0.936 323 K CB 0.007 32.512 32.500 0.009 0.000 0.747 323 K HN 0.508 nan 8.250 nan 0.000 0.467 324 D N 0.328 120.608 120.400 -0.200 0.000 2.218 324 D HA -0.139 4.502 4.640 0.001 0.000 0.204 324 D C 1.577 177.782 176.300 -0.158 0.000 0.976 324 D CA 0.629 54.540 54.000 -0.147 0.000 0.853 324 D CB -0.115 40.606 40.800 -0.132 0.000 0.939 324 D HN 0.209 nan 8.370 nan 0.000 0.481 325 L N 0.480 121.563 121.223 -0.232 0.000 2.549 325 L HA -0.073 4.268 4.340 0.001 0.000 0.229 325 L C 2.173 178.986 176.870 -0.095 0.000 1.158 325 L CA 0.454 55.189 54.840 -0.176 0.000 0.842 325 L CB -0.374 41.554 42.059 -0.219 0.000 0.952 325 L HN 0.066 nan 8.230 nan 0.000 0.452 326 Q N 0.605 120.362 119.800 -0.071 0.000 2.488 326 Q HA -0.136 4.204 4.340 0.001 0.000 0.211 326 Q C 1.221 177.183 176.000 -0.062 0.000 0.967 326 Q CA 0.706 56.495 55.803 -0.023 0.000 0.926 326 Q CB 0.296 29.041 28.738 0.012 0.000 0.992 326 Q HN 0.517 nan 8.270 nan 0.000 0.506 327 E N 0.906 121.055 120.200 -0.084 0.000 2.502 327 E HA -0.095 4.256 4.350 0.001 0.000 0.194 327 E C 0.984 177.507 176.600 -0.127 0.000 1.062 327 E CA 0.596 56.938 56.400 -0.096 0.000 0.867 327 E CB 0.247 29.892 29.700 -0.091 0.000 0.888 327 E HN 0.541 nan 8.360 nan 0.000 0.510 328 D N 0.567 120.882 120.400 -0.141 0.000 2.213 328 D HA -0.117 4.523 4.640 0.001 0.000 0.205 328 D C 1.563 177.701 176.300 -0.271 0.000 0.961 328 D CA 0.588 54.484 54.000 -0.174 0.000 0.853 328 D CB -0.222 40.481 40.800 -0.162 0.000 0.967 328 D HN 0.006 nan 8.370 nan 0.000 0.496 329 K N 0.695 120.890 120.400 -0.343 0.000 1.987 329 K HA -0.193 4.128 4.320 0.001 0.000 0.216 329 K C 2.213 178.254 176.600 -0.931 0.000 1.051 329 K CA 1.886 57.733 56.287 -0.734 0.000 0.942 329 K CB -0.235 31.952 32.500 -0.522 0.000 0.722 329 K HN 0.259 nan 8.250 nan 0.000 0.444 330 E N 0.527 120.472 120.200 -0.425 0.000 2.118 330 E HA -0.212 4.139 4.350 0.001 0.000 0.195 330 E C 2.058 178.577 176.600 -0.135 0.000 0.992 330 E CA 1.117 57.403 56.400 -0.190 0.000 0.804 330 E CB -0.191 29.471 29.700 -0.064 0.000 0.741 330 E HN 0.373 nan 8.360 nan 0.000 0.458 331 A N 1.040 123.769 122.820 -0.152 0.000 1.877 331 A HA -0.167 4.154 4.320 0.001 0.000 0.216 331 A C 2.554 180.133 177.584 -0.008 0.000 1.186 331 A CA 1.435 53.428 52.037 -0.073 0.000 0.620 331 A CB -0.784 18.164 19.000 -0.087 0.000 0.822 331 A HN 0.128 nan 8.150 nan 0.000 0.443 332 V N -0.690 119.181 119.914 -0.071 0.000 2.261 332 V HA -0.281 3.840 4.120 0.001 0.000 0.246 332 V C 2.368 178.636 176.094 0.290 0.000 1.047 332 V CA 2.118 64.487 62.300 0.116 0.000 1.015 332 V CB -1.181 30.653 31.823 0.018 0.000 0.642 332 V HN 0.638 nan 8.190 nan 0.000 0.446 333 F N 0.412 120.445 119.950 0.139 0.000 2.120 333 F HA -0.267 4.261 4.527 0.001 0.000 0.300 333 F C 2.557 178.436 175.800 0.133 0.000 1.095 333 F CA 1.482 59.568 58.000 0.142 0.000 1.249 333 F CB -0.423 38.589 39.000 0.020 0.000 0.995 333 F HN 0.262 nan 8.300 nan 0.000 0.480 334 D N 0.734 121.304 120.400 0.284 0.000 2.088 334 D HA -0.164 4.477 4.640 0.001 0.000 0.191 334 D C 2.218 178.618 176.300 0.168 0.000 0.992 334 D CA 1.375 55.480 54.000 0.176 0.000 0.831 334 D CB -0.486 40.375 40.800 0.101 0.000 0.973 334 D HN 0.016 nan 8.370 nan 0.000 0.447 335 V N 0.095 120.111 119.914 0.171 0.000 2.324 335 V HA -0.238 3.882 4.120 0.001 0.000 0.250 335 V C 2.776 179.012 176.094 0.237 0.000 1.060 335 V CA 1.447 63.839 62.300 0.153 0.000 1.042 335 V CB -0.431 31.452 31.823 0.100 0.000 0.650 335 V HN 0.141 nan 8.190 nan 0.000 0.450 336 V N 0.160 120.292 119.914 0.363 0.000 2.287 336 V HA -0.278 3.843 4.120 0.001 0.000 0.248 336 V C 2.267 178.482 176.094 0.202 0.000 1.053 336 V CA 2.397 64.898 62.300 0.336 0.000 1.027 336 V CB -0.624 31.397 31.823 0.329 0.000 0.646 336 V HN 0.622 nan 8.190 nan 0.000 0.447 337 D N -0.652 119.856 120.400 0.180 0.000 2.117 337 D HA -0.117 4.524 4.640 0.001 0.000 0.198 337 D C 2.232 178.578 176.300 0.076 0.000 0.982 337 D CA 1.732 55.797 54.000 0.108 0.000 0.828 337 D CB -0.436 40.422 40.800 0.097 0.000 0.967 337 D HN 0.398 nan 8.370 nan 0.000 0.464 338 T N 1.571 116.176 114.554 0.086 0.000 2.652 338 T HA -0.148 4.203 4.350 0.001 0.000 0.267 338 T C 2.079 176.805 174.700 0.043 0.000 1.039 338 T CA 0.731 62.865 62.100 0.056 0.000 1.153 338 T CB -0.365 68.535 68.868 0.054 0.000 0.863 338 T HN 0.001 nan 8.240 nan 0.000 0.428 339 L N 0.935 122.196 121.223 0.064 0.000 2.083 339 L HA -0.094 4.247 4.340 0.001 0.000 0.209 339 L C 2.810 179.695 176.870 0.026 0.000 1.083 339 L CA 1.615 56.487 54.840 0.053 0.000 0.752 339 L CB -1.231 40.885 42.059 0.094 0.000 0.899 339 L HN 0.297 nan 8.230 nan 0.000 0.433 340 T N -0.740 113.825 114.554 0.018 0.000 2.674 340 T HA -0.205 4.145 4.350 0.001 0.000 0.265 340 T C 1.981 176.585 174.700 -0.161 0.000 1.039 340 T CA 1.399 63.449 62.100 -0.084 0.000 1.150 340 T CB -0.485 68.353 68.868 -0.049 0.000 0.864 340 T HN 0.428 nan 8.240 nan 0.000 0.427 341 A N 1.117 123.892 122.820 -0.074 0.000 1.845 341 A HA -0.067 4.254 4.320 0.001 0.000 0.215 341 A C 2.625 180.187 177.584 -0.036 0.000 1.195 341 A CA 1.597 53.602 52.037 -0.054 0.000 0.616 341 A CB -1.254 17.739 19.000 -0.012 0.000 0.832 341 A HN 0.306 nan 8.150 nan 0.000 0.443 342 V N 0.109 120.014 119.914 -0.015 0.000 2.278 342 V HA -0.321 3.799 4.120 0.001 0.000 0.251 342 V C 2.629 178.714 176.094 -0.015 0.000 1.062 342 V CA 2.284 64.581 62.300 -0.005 0.000 1.038 342 V CB -0.799 31.025 31.823 0.001 0.000 0.646 342 V HN 0.572 nan 8.190 nan 0.000 0.447 343 L N -0.780 120.428 121.223 -0.025 0.000 2.046 343 L HA -0.239 4.102 4.340 0.001 0.000 0.208 343 L C 2.706 179.565 176.870 -0.019 0.000 1.077 343 L CA 1.665 56.498 54.840 -0.011 0.000 0.747 343 L CB -0.565 41.511 42.059 0.028 0.000 0.896 343 L HN 0.409 nan 8.230 nan 0.000 0.432 344 Q N -0.718 119.039 119.800 -0.072 0.000 2.046 344 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 344 Q C 2.340 178.364 176.000 0.039 0.000 0.975 344 Q CA 1.509 57.297 55.803 -0.024 0.000 0.836 344 Q CB -0.260 28.427 28.738 -0.085 0.000 0.896 344 Q HN 0.364 nan 8.270 nan 0.000 0.428 345 V N 1.334 121.283 119.914 0.059 0.000 2.469 345 V HA -0.283 3.837 4.120 0.001 0.000 0.251 345 V C 2.269 178.335 176.094 -0.046 0.000 1.064 345 V CA 1.691 64.071 62.300 0.132 0.000 1.066 345 V CB -1.079 30.830 31.823 0.143 0.000 0.667 345 V HN 0.362 nan 8.190 nan 0.000 0.461 346 A N 0.074 122.862 122.820 -0.053 0.000 1.845 346 A HA -0.223 4.098 4.320 0.001 0.000 0.215 346 A C 2.435 179.937 177.584 -0.136 0.000 1.195 346 A CA 2.530 54.508 52.037 -0.098 0.000 0.616 346 A CB -1.158 17.806 19.000 -0.060 0.000 0.832 346 A HN 0.459 nan 8.150 nan 0.000 0.443 347 T N -0.071 114.437 114.554 -0.076 0.000 2.720 347 T HA -0.094 4.257 4.350 0.001 0.000 0.268 347 T C 1.942 176.570 174.700 -0.120 0.000 1.037 347 T CA 1.647 63.710 62.100 -0.063 0.000 1.144 347 T CB -0.773 68.098 68.868 0.006 0.000 0.864 347 T HN 0.623 nan 8.240 nan 0.000 0.444 348 G N 1.128 109.835 108.800 -0.155 0.000 2.491 348 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 348 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 348 G C 1.711 176.192 174.900 -0.700 0.000 1.180 348 G CA 1.065 46.012 45.100 -0.254 0.000 0.774 348 G HN 0.425 nan 8.290 nan 0.000 0.562 349 V N 1.323 120.610 119.914 -1.046 0.000 2.231 349 V HA -0.216 3.905 4.120 0.001 0.000 0.248 349 V C 2.802 178.713 176.094 -0.305 0.000 1.054 349 V CA 1.946 63.782 62.300 -0.775 0.000 1.015 349 V CB -0.443 31.065 31.823 -0.526 0.000 0.638 349 V HN 0.418 nan 8.190 nan 0.000 0.444 350 I N 0.069 120.520 120.570 -0.197 0.000 2.567 350 I HA -0.209 3.962 4.170 0.001 0.000 0.257 350 I C 2.585 178.688 176.117 -0.023 0.000 1.184 350 I CA 1.588 62.849 61.300 -0.064 0.000 1.451 350 I CB -0.343 37.620 38.000 -0.062 0.000 1.089 350 I HN 0.396 nan 8.210 nan 0.000 0.441 351 S N 0.406 116.068 115.700 -0.063 0.000 2.377 351 S HA -0.124 4.347 4.470 0.001 0.000 0.223 351 S C 1.898 176.516 174.600 0.030 0.000 1.030 351 S CA 1.794 59.992 58.200 -0.004 0.000 0.970 351 S CB -0.195 63.008 63.200 0.003 0.000 0.830 351 S HN 0.554 nan 8.310 nan 0.000 0.473 352 T N 0.326 114.892 114.554 0.019 0.000 3.044 352 T HA 0.416 4.767 4.350 0.001 0.000 0.260 352 T C 0.320 175.064 174.700 0.074 0.000 1.019 352 T CA -0.398 61.746 62.100 0.073 0.000 0.921 352 T CB -0.491 68.463 68.868 0.144 0.000 1.053 352 T HN 0.363 nan 8.240 nan 0.000 0.533 353 L N 0.572 121.826 121.223 0.052 0.000 2.439 353 L HA 0.545 4.886 4.340 0.001 0.000 0.269 353 L C -0.073 176.842 176.870 0.075 0.000 1.179 353 L CA -0.471 54.410 54.840 0.068 0.000 0.828 353 L CB 0.278 42.378 42.059 0.068 0.000 1.106 353 L HN -0.067 nan 8.230 nan 0.000 0.467 354 Q N 2.431 122.266 119.800 0.058 0.000 2.235 354 Q HA 0.498 4.838 4.340 0.001 0.000 0.250 354 Q C -0.885 175.113 176.000 -0.003 0.000 0.909 354 Q CA -0.466 55.355 55.803 0.031 0.000 0.910 354 Q CB 2.358 31.111 28.738 0.025 0.000 1.223 354 Q HN 0.651 nan 8.270 nan 0.000 0.432 355 I N 0.762 121.300 120.570 -0.054 0.000 2.404 355 I HA 0.082 4.253 4.170 0.001 0.000 0.293 355 I C 0.020 176.045 176.117 -0.153 0.000 0.992 355 I CA 0.001 61.196 61.300 -0.176 0.000 1.149 355 I CB 1.999 39.821 38.000 -0.297 0.000 1.315 355 I HN 0.473 nan 8.210 nan 0.000 0.446 356 S N 6.417 122.025 115.700 -0.154 0.000 3.170 356 S HA 0.165 4.635 4.470 0.001 0.000 0.257 356 S C 1.327 175.834 174.600 -0.155 0.000 1.284 356 S CA -0.461 57.680 58.200 -0.100 0.000 0.973 356 S CB -0.281 62.904 63.200 -0.025 0.000 1.330 356 S HN 0.690 nan 8.310 nan 0.000 0.493 357 K N 2.718 123.017 120.400 -0.168 0.000 2.218 357 K HA -0.189 4.132 4.320 0.001 0.000 0.205 357 K C 1.728 178.249 176.600 -0.131 0.000 1.046 357 K CA 1.746 57.927 56.287 -0.176 0.000 0.933 357 K CB -0.044 32.383 32.500 -0.121 0.000 0.728 357 K HN 0.777 nan 8.250 nan 0.000 0.454 358 E N 0.224 120.371 120.200 -0.088 0.000 2.028 358 E HA -0.171 4.179 4.350 0.001 0.000 0.191 358 E C 1.589 178.153 176.600 -0.060 0.000 0.988 358 E CA 1.144 57.505 56.400 -0.064 0.000 0.799 358 E CB 0.065 29.741 29.700 -0.040 0.000 0.755 358 E HN 0.362 nan 8.360 nan 0.000 0.447 359 N N 0.257 118.940 118.700 -0.028 0.000 2.244 359 N HA -0.124 4.617 4.740 0.001 0.000 0.183 359 N C 1.884 177.425 175.510 0.052 0.000 1.016 359 N CA 1.211 54.285 53.050 0.040 0.000 0.866 359 N CB -0.182 38.371 38.487 0.109 0.000 0.980 359 N HN 0.323 nan 8.380 nan 0.000 0.430 360 M N 0.491 120.016 119.600 -0.126 0.000 2.099 360 M HA -0.063 4.418 4.480 0.001 0.000 0.262 360 M C 1.852 177.962 176.300 -0.317 0.000 1.067 360 M CA 1.222 56.253 55.300 -0.448 0.000 1.124 360 M CB -0.273 31.960 32.600 -0.611 0.000 1.353 360 M HN -0.023 nan 8.290 nan 0.000 0.410 361 E N 0.749 120.806 120.200 -0.238 0.000 2.338 361 E HA -0.151 4.200 4.350 0.001 0.000 0.197 361 E C 1.737 178.195 176.600 -0.238 0.000 1.007 361 E CA 0.967 57.225 56.400 -0.237 0.000 0.849 361 E CB 0.009 29.619 29.700 -0.150 0.000 0.774 361 E HN 0.415 nan 8.360 nan 0.000 0.506 362 K N -0.463 119.845 120.400 -0.153 0.000 2.314 362 K HA 0.079 4.400 4.320 0.001 0.000 0.198 362 K C 1.789 178.321 176.600 -0.113 0.000 1.045 362 K CA 0.630 56.851 56.287 -0.111 0.000 0.988 362 K CB 0.166 32.634 32.500 -0.054 0.000 0.783 362 K HN -0.008 nan 8.250 nan 0.000 0.484 363 A N 1.028 123.790 122.820 -0.097 0.000 2.067 363 A HA 0.092 4.413 4.320 0.001 0.000 0.217 363 A C 0.723 178.208 177.584 -0.165 0.000 1.156 363 A CA 0.205 52.208 52.037 -0.058 0.000 0.683 363 A CB -0.263 18.818 19.000 0.136 0.000 0.808 363 A HN 0.184 nan 8.150 nan 0.000 0.455 364 L N 1.771 122.786 121.223 -0.346 0.000 2.455 364 L HA 0.253 4.594 4.340 0.001 0.000 0.272 364 L C 0.606 177.293 176.870 -0.305 0.000 1.174 364 L CA -0.005 54.510 54.840 -0.541 0.000 0.869 364 L CB 0.466 41.703 42.059 -1.370 0.000 1.130 364 L HN 0.380 nan 8.230 nan 0.000 0.474 365 T N -0.705 113.868 114.554 0.032 0.000 2.916 365 T HA 0.424 4.775 4.350 0.001 0.000 0.292 365 T C -2.229 172.698 174.700 0.378 0.000 1.055 365 T CA -2.017 60.204 62.100 0.203 0.000 1.009 365 T CB 2.112 71.024 68.868 0.074 0.000 1.118 365 T HN 0.205 nan 8.240 nan 0.000 0.497 366 P HA -0.014 nan 4.420 nan 0.000 0.220 366 P C 0.982 178.365 177.300 0.138 0.000 1.148 366 P CA 0.836 64.031 63.100 0.158 0.000 0.803 366 P CB 0.063 31.786 31.700 0.038 0.000 0.782 367 E N -0.963 119.302 120.200 0.109 0.000 2.204 367 E HA -0.098 4.253 4.350 0.001 0.000 0.195 367 E C 1.796 178.452 176.600 0.094 0.000 0.990 367 E CA 1.111 57.559 56.400 0.080 0.000 0.821 367 E CB -0.855 28.877 29.700 0.053 0.000 0.750 367 E HN 0.313 nan 8.360 nan 0.000 0.477 368 M N -0.215 119.463 119.600 0.129 0.000 2.549 368 M HA -0.029 4.452 4.480 0.001 0.000 0.260 368 M C 1.195 177.568 176.300 0.121 0.000 1.076 368 M CA 0.902 56.277 55.300 0.126 0.000 1.090 368 M CB 0.022 32.721 32.600 0.164 0.000 1.418 368 M HN 0.094 nan 8.290 nan 0.000 0.486 369 L N -0.513 120.775 121.223 0.108 0.000 2.592 369 L HA 0.038 4.378 4.340 0.001 0.000 0.227 369 L C 2.457 179.343 176.870 0.026 0.000 1.127 369 L CA 0.047 54.912 54.840 0.041 0.000 0.884 369 L CB -0.482 41.567 42.059 -0.018 0.000 1.065 369 L HN 0.331 nan 8.230 nan 0.000 0.457 370 S N -1.021 114.714 115.700 0.058 0.000 2.387 370 S HA -0.226 4.245 4.470 0.001 0.000 0.230 370 S C 1.906 176.517 174.600 0.019 0.000 1.035 370 S CA 1.950 60.172 58.200 0.036 0.000 1.014 370 S CB -0.774 62.441 63.200 0.025 0.000 0.836 370 S HN 0.374 nan 8.310 nan 0.000 0.466 371 T N 2.256 116.837 114.554 0.046 0.000 2.777 371 T HA -0.072 4.279 4.350 0.001 0.000 0.266 371 T C 1.410 176.148 174.700 0.063 0.000 1.040 371 T CA 1.539 63.682 62.100 0.072 0.000 1.141 371 T CB -0.670 68.274 68.868 0.126 0.000 0.868 371 T HN 0.420 nan 8.240 nan 0.000 0.444 372 D N 0.889 121.311 120.400 0.037 0.000 2.182 372 D HA -0.041 4.600 4.640 0.001 0.000 0.201 372 D C 1.971 178.258 176.300 -0.022 0.000 0.986 372 D CA 0.479 54.476 54.000 -0.004 0.000 0.847 372 D CB -0.412 40.347 40.800 -0.067 0.000 0.942 372 D HN 0.174 nan 8.370 nan 0.000 0.467 373 L N 0.875 122.067 121.223 -0.052 0.000 2.017 373 L HA -0.088 4.253 4.340 0.001 0.000 0.208 373 L C 2.193 179.153 176.870 0.151 0.000 1.073 373 L CA 1.706 56.543 54.840 -0.005 0.000 0.745 373 L CB -0.804 41.245 42.059 -0.016 0.000 0.894 373 L HN -0.013 nan 8.230 nan 0.000 0.432 374 A N -0.582 122.290 122.820 0.086 0.000 1.892 374 A HA -0.233 4.088 4.320 0.001 0.000 0.218 374 A C 2.289 179.912 177.584 0.066 0.000 1.188 374 A CA 2.197 54.268 52.037 0.057 0.000 0.631 374 A CB -1.027 17.965 19.000 -0.014 0.000 0.822 374 A HN 0.489 nan 8.150 nan 0.000 0.447 375 L N -2.101 119.169 121.223 0.079 0.000 2.079 375 L HA -0.228 4.113 4.340 0.001 0.000 0.210 375 L C 2.570 179.476 176.870 0.060 0.000 1.081 375 L CA 1.854 56.734 54.840 0.068 0.000 0.752 375 L CB -0.679 41.412 42.059 0.054 0.000 0.896 375 L HN 0.629 nan 8.230 nan 0.000 0.433 376 Y N 0.770 121.050 120.300 -0.034 0.000 2.102 376 Y HA -0.310 4.241 4.550 0.001 0.000 0.280 376 Y C 2.286 178.152 175.900 -0.057 0.000 1.178 376 Y CA 1.732 59.809 58.100 -0.038 0.000 1.146 376 Y CB -0.278 38.177 38.460 -0.009 0.000 0.968 376 Y HN 0.032 nan 8.280 nan 0.000 0.504 377 L N -1.211 119.966 121.223 -0.077 0.000 2.141 377 L HA -0.184 4.157 4.340 0.001 0.000 0.209 377 L C 2.298 179.060 176.870 -0.181 0.000 1.094 377 L CA 0.908 55.609 54.840 -0.231 0.000 0.763 377 L CB -0.603 41.340 42.059 -0.193 0.000 0.908 377 L HN 0.129 nan 8.230 nan 0.000 0.437 378 V N -0.227 119.633 119.914 -0.090 0.000 2.626 378 V HA -0.204 3.917 4.120 0.001 0.000 0.252 378 V C 2.508 178.556 176.094 -0.077 0.000 1.067 378 V CA 1.446 63.719 62.300 -0.045 0.000 1.081 378 V CB -0.661 31.184 31.823 0.037 0.000 0.686 378 V HN 0.433 nan 8.190 nan 0.000 0.468 379 R N 0.253 120.679 120.500 -0.122 0.000 2.193 379 R HA -0.013 4.328 4.340 0.001 0.000 0.213 379 R C 1.724 177.925 176.300 -0.166 0.000 1.055 379 R CA 0.584 56.606 56.100 -0.129 0.000 0.995 379 R CB -0.178 30.040 30.300 -0.137 0.000 0.893 379 R HN 0.431 nan 8.270 nan 0.000 0.459 380 K N 0.188 120.446 120.400 -0.236 0.000 2.504 380 K HA 0.064 4.385 4.320 0.001 0.000 0.199 380 K C 0.488 176.995 176.600 -0.154 0.000 1.028 380 K CA 0.382 56.531 56.287 -0.230 0.000 1.164 380 K CB 0.540 32.838 32.500 -0.338 0.000 0.877 380 K HN 0.353 nan 8.250 nan 0.000 0.508 381 G N 1.753 110.484 108.800 -0.115 0.000 2.143 381 G HA2 -0.311 3.650 3.960 0.001 0.000 0.249 381 G HA3 -0.311 3.650 3.960 0.001 0.000 0.249 381 G C 0.006 174.866 174.900 -0.067 0.000 0.981 381 G CA 0.171 45.225 45.100 -0.077 0.000 0.665 381 G HN 0.363 nan 8.290 nan 0.000 0.528 382 M N 1.194 120.743 119.600 -0.086 0.000 2.216 382 M HA 0.532 5.012 4.480 0.001 0.000 0.356 382 M C -2.073 174.211 176.300 -0.027 0.000 1.205 382 M CA -1.940 53.317 55.300 -0.072 0.000 1.122 382 M CB 0.995 33.526 32.600 -0.115 0.000 1.571 382 M HN -0.074 nan 8.290 nan 0.000 0.464 383 P HA -0.019 nan 4.420 nan 0.000 0.266 383 P C -0.155 177.189 177.300 0.073 0.000 1.195 383 P CA 0.054 63.182 63.100 0.048 0.000 0.768 383 P CB 0.279 32.002 31.700 0.039 0.000 0.838 384 F N 4.493 124.445 119.950 0.002 0.000 2.024 384 F HA -0.340 4.188 4.527 0.001 0.000 0.296 384 F C 2.428 178.258 175.800 0.050 0.000 1.137 384 F CA 1.956 59.971 58.000 0.025 0.000 1.200 384 F CB -0.345 38.665 39.000 0.017 0.000 0.954 384 F HN 0.165 nan 8.300 nan 0.000 0.497 385 R N 0.849 121.375 120.500 0.043 0.000 2.119 385 R HA -0.214 4.126 4.340 0.001 0.000 0.246 385 R C 2.237 178.482 176.300 -0.092 0.000 1.146 385 R CA 2.088 58.150 56.100 -0.063 0.000 0.962 385 R CB -1.153 29.214 30.300 0.111 0.000 0.863 385 R HN 0.536 nan 8.270 nan 0.000 0.442 386 Q N -0.819 118.954 119.800 -0.046 0.000 2.119 386 Q HA -0.034 4.307 4.340 0.001 0.000 0.201 386 Q C 1.917 177.877 176.000 -0.067 0.000 0.972 386 Q CA 1.740 57.519 55.803 -0.040 0.000 0.847 386 Q CB -0.138 28.583 28.738 -0.028 0.000 0.903 386 Q HN 0.485 nan 8.270 nan 0.000 0.433 387 A N -0.511 122.242 122.820 -0.112 0.000 1.968 387 A HA -0.182 4.139 4.320 0.001 0.000 0.217 387 A C 1.753 179.267 177.584 -0.116 0.000 1.169 387 A CA 1.533 53.505 52.037 -0.109 0.000 0.638 387 A CB -0.607 18.330 19.000 -0.106 0.000 0.812 387 A HN 0.420 nan 8.150 nan 0.000 0.446 388 H N 0.123 118.997 119.070 -0.326 0.000 2.267 388 H HA -0.104 4.452 4.556 0.001 0.000 0.297 388 H C 2.159 177.417 175.328 -0.117 0.000 1.080 388 H CA 2.584 58.462 56.048 -0.285 0.000 1.278 388 H CB -0.309 29.198 29.762 -0.425 0.000 1.365 388 H HN 0.363 nan 8.280 nan 0.000 0.489 389 T N 0.310 114.870 114.554 0.010 0.000 2.833 389 T HA -0.150 4.201 4.350 0.001 0.000 0.269 389 T C 2.165 176.865 174.700 0.001 0.000 1.054 389 T CA 1.117 63.222 62.100 0.008 0.000 1.135 389 T CB -0.630 68.257 68.868 0.031 0.000 0.869 389 T HN 0.547 nan 8.240 nan 0.000 0.466 390 A N 0.946 123.773 122.820 0.012 0.000 1.902 390 A HA -0.066 4.255 4.320 0.001 0.000 0.217 390 A C 2.538 180.213 177.584 0.151 0.000 1.181 390 A CA 1.966 54.055 52.037 0.087 0.000 0.623 390 A CB -0.903 18.127 19.000 0.050 0.000 0.818 390 A HN 0.461 nan 8.150 nan 0.000 0.443 391 S N -0.744 115.000 115.700 0.072 0.000 2.428 391 S HA 0.051 4.522 4.470 0.001 0.000 0.230 391 S C 1.904 176.491 174.600 -0.021 0.000 1.014 391 S CA 1.373 59.605 58.200 0.053 0.000 0.957 391 S CB -0.475 62.709 63.200 -0.026 0.000 0.784 391 S HN 0.653 nan 8.310 nan 0.000 0.499 392 G N 0.832 109.588 108.800 -0.074 0.000 2.421 392 G HA2 -0.064 3.897 3.960 0.001 0.000 0.217 392 G HA3 -0.064 3.897 3.960 0.001 0.000 0.217 392 G C 1.562 176.472 174.900 0.017 0.000 1.143 392 G CA 0.328 45.390 45.100 -0.062 0.000 0.784 392 G HN 0.507 nan 8.290 nan 0.000 0.541 393 K N 0.405 120.830 120.400 0.041 0.000 2.167 393 K HA 0.199 4.520 4.320 0.001 0.000 0.203 393 K C 2.863 179.509 176.600 0.077 0.000 1.052 393 K CA 0.713 57.046 56.287 0.076 0.000 0.956 393 K CB -0.062 32.483 32.500 0.077 0.000 0.735 393 K HN 0.233 nan 8.250 nan 0.000 0.451 394 A N 1.013 123.861 122.820 0.047 0.000 1.972 394 A HA -0.105 4.216 4.320 0.001 0.000 0.219 394 A C 2.291 179.869 177.584 -0.010 0.000 1.169 394 A CA 1.217 53.246 52.037 -0.013 0.000 0.635 394 A CB -0.512 18.445 19.000 -0.072 0.000 0.810 394 A HN 0.044 nan 8.150 nan 0.000 0.446 395 V N -0.678 119.247 119.914 0.019 0.000 2.244 395 V HA -0.268 3.853 4.120 0.001 0.000 0.244 395 V C 2.461 178.577 176.094 0.037 0.000 1.042 395 V CA 2.483 64.795 62.300 0.020 0.000 1.006 395 V CB -0.995 30.844 31.823 0.026 0.000 0.641 395 V HN 0.826 nan 8.190 nan 0.000 0.446 396 H N 0.075 119.132 119.070 -0.021 0.000 2.290 396 H HA -0.205 4.352 4.556 0.001 0.000 0.298 396 H C 1.972 177.287 175.328 -0.021 0.000 1.087 396 H CA 2.436 58.474 56.048 -0.016 0.000 1.291 396 H CB -0.372 29.385 29.762 -0.008 0.000 1.369 396 H HN 0.249 nan 8.280 nan 0.000 0.492 397 L N 0.598 121.805 121.223 -0.028 0.000 2.013 397 L HA -0.164 4.177 4.340 0.001 0.000 0.212 397 L C 2.429 179.217 176.870 -0.137 0.000 1.073 397 L CA 2.417 57.200 54.840 -0.095 0.000 0.753 397 L CB -1.438 40.607 42.059 -0.024 0.000 0.890 397 L HN 0.385 nan 8.230 nan 0.000 0.432 398 A N -0.992 121.764 122.820 -0.107 0.000 1.972 398 A HA -0.226 4.095 4.320 0.001 0.000 0.219 398 A C 2.339 179.851 177.584 -0.121 0.000 1.169 398 A CA 1.661 53.631 52.037 -0.112 0.000 0.635 398 A CB -0.753 18.185 19.000 -0.104 0.000 0.810 398 A HN 0.667 nan 8.150 nan 0.000 0.446 399 E N 0.205 120.322 120.200 -0.139 0.000 2.106 399 E HA -0.168 4.183 4.350 0.001 0.000 0.192 399 E C 2.129 178.621 176.600 -0.180 0.000 0.984 399 E CA 1.900 58.217 56.400 -0.139 0.000 0.806 399 E CB -0.251 29.379 29.700 -0.118 0.000 0.750 399 E HN 0.714 nan 8.360 nan 0.000 0.458 400 T N -1.312 113.075 114.554 -0.279 0.000 2.867 400 T HA -0.045 4.305 4.350 0.001 0.000 0.268 400 T C 1.785 176.402 174.700 -0.138 0.000 1.057 400 T CA 0.994 62.951 62.100 -0.238 0.000 1.136 400 T CB -0.165 68.525 68.868 -0.297 0.000 0.874 400 T HN 0.031 nan 8.240 nan 0.000 0.466 401 K N 0.839 121.164 120.400 -0.126 0.000 2.487 401 K HA 0.306 4.626 4.320 0.001 0.000 0.192 401 K C 1.406 177.957 176.600 -0.082 0.000 1.027 401 K CA 0.333 56.565 56.287 -0.092 0.000 1.054 401 K CB -0.234 32.213 32.500 -0.089 0.000 0.824 401 K HN 0.554 nan 8.250 nan 0.000 0.510 402 G N 1.812 110.560 108.800 -0.086 0.000 2.198 402 G HA2 -0.263 3.697 3.960 0.001 0.000 0.260 402 G HA3 -0.263 3.697 3.960 0.001 0.000 0.260 402 G C 0.014 174.873 174.900 -0.069 0.000 1.025 402 G CA 0.378 45.436 45.100 -0.070 0.000 0.769 402 G HN 0.278 nan 8.290 nan 0.000 0.507 403 I N -0.192 120.329 120.570 -0.082 0.000 2.934 403 I HA 0.470 4.641 4.170 0.001 0.000 0.306 403 I C 0.806 176.864 176.117 -0.099 0.000 1.110 403 I CA -0.840 60.407 61.300 -0.088 0.000 1.019 403 I CB 2.094 40.036 38.000 -0.098 0.000 1.227 403 I HN 0.144 nan 8.210 nan 0.000 0.434 404 T N 0.239 114.729 114.554 -0.107 0.000 2.919 404 T HA 0.235 4.586 4.350 0.001 0.000 0.302 404 T C 1.181 175.768 174.700 -0.188 0.000 1.031 404 T CA -0.582 61.446 62.100 -0.119 0.000 1.127 404 T CB 0.659 69.460 68.868 -0.111 0.000 0.952 404 T HN 0.440 nan 8.240 nan 0.000 0.540 405 I N 1.479 121.945 120.570 -0.173 0.000 2.399 405 I HA -0.234 3.937 4.170 0.001 0.000 0.254 405 I C 2.338 178.113 176.117 -0.570 0.000 1.146 405 I CA 1.251 62.414 61.300 -0.228 0.000 1.412 405 I CB -1.325 36.639 38.000 -0.061 0.000 1.076 405 I HN 0.801 nan 8.210 nan 0.000 0.432 406 N N 0.892 119.108 118.700 -0.808 0.000 2.459 406 N HA -0.180 4.560 4.740 0.001 0.000 0.181 406 N C 0.990 176.014 175.510 -0.809 0.000 1.046 406 N CA 1.072 53.215 53.050 -1.510 0.000 0.904 406 N CB -0.677 37.234 38.487 -0.960 0.000 0.964 406 N HN 0.475 nan 8.380 nan 0.000 0.444 407 N N 0.399 118.819 118.700 -0.466 0.000 2.270 407 N HA 0.190 4.930 4.740 0.001 0.000 0.198 407 N C 0.105 175.470 175.510 -0.242 0.000 1.117 407 N CA -0.116 52.759 53.050 -0.290 0.000 0.845 407 N CB 0.742 39.111 38.487 -0.196 0.000 0.980 407 N HN 0.287 nan 8.380 nan 0.000 0.486 408 L N 1.071 122.123 121.223 -0.286 0.000 2.473 408 L HA 0.090 4.431 4.340 0.001 0.000 0.268 408 L C 0.540 177.305 176.870 -0.175 0.000 1.215 408 L CA 0.218 54.933 54.840 -0.208 0.000 0.823 408 L CB 0.461 42.391 42.059 -0.215 0.000 1.099 408 L HN -0.033 nan 8.230 nan 0.000 0.483 409 T N 2.398 116.876 114.554 -0.127 0.000 2.897 409 T HA 0.079 4.430 4.350 0.001 0.000 0.294 409 T C 0.985 175.635 174.700 -0.083 0.000 1.004 409 T CA -0.641 61.404 62.100 -0.092 0.000 1.106 409 T CB 1.456 70.285 68.868 -0.065 0.000 0.949 409 T HN 0.419 nan 8.240 nan 0.000 0.520 410 L N 2.371 123.561 121.223 -0.055 0.000 2.129 410 L HA -0.117 4.223 4.340 0.001 0.000 0.212 410 L C 2.316 179.184 176.870 -0.004 0.000 1.087 410 L CA 1.863 56.687 54.840 -0.026 0.000 0.757 410 L CB -0.736 41.327 42.059 0.006 0.000 0.896 410 L HN 0.863 nan 8.230 nan 0.000 0.434 411 E N -1.055 119.140 120.200 -0.008 0.000 2.072 411 E HA -0.229 4.122 4.350 0.001 0.000 0.191 411 E C 1.699 178.299 176.600 -0.001 0.000 0.985 411 E CA 1.223 57.627 56.400 0.008 0.000 0.801 411 E CB -0.061 29.639 29.700 -0.000 0.000 0.750 411 E HN 0.532 nan 8.360 nan 0.000 0.452 412 D N 0.766 121.146 120.400 -0.033 0.000 2.133 412 D HA -0.186 4.454 4.640 0.001 0.000 0.195 412 D C 2.169 178.438 176.300 -0.052 0.000 0.997 412 D CA 1.058 55.030 54.000 -0.046 0.000 0.840 412 D CB -0.204 40.548 40.800 -0.079 0.000 0.947 412 D HN 0.280 nan 8.370 nan 0.000 0.452 413 L N 0.603 121.761 121.223 -0.108 0.000 2.027 413 L HA -0.112 4.229 4.340 0.001 0.000 0.206 413 L C 2.379 179.347 176.870 0.164 0.000 1.074 413 L CA 1.002 55.716 54.840 -0.210 0.000 0.745 413 L CB -0.369 41.357 42.059 -0.554 0.000 0.898 413 L HN -0.099 nan 8.230 nan 0.000 0.433 414 K N 0.164 120.672 120.400 0.180 0.000 2.281 414 K HA -0.155 4.166 4.320 0.001 0.000 0.203 414 K C 2.344 179.036 176.600 0.153 0.000 1.046 414 K CA 1.568 57.984 56.287 0.216 0.000 0.938 414 K CB -0.196 32.384 32.500 0.133 0.000 0.737 414 K HN 0.436 nan 8.250 nan 0.000 0.458 415 S N 0.782 116.548 115.700 0.109 0.000 2.406 415 S HA -0.045 4.426 4.470 0.001 0.000 0.228 415 S C 1.869 176.530 174.600 0.101 0.000 1.020 415 S CA 0.582 58.830 58.200 0.079 0.000 0.965 415 S CB -0.209 63.019 63.200 0.047 0.000 0.798 415 S HN 0.231 nan 8.310 nan 0.000 0.488 416 I N 0.707 121.369 120.570 0.153 0.000 3.226 416 I HA 0.189 4.360 4.170 0.001 0.000 0.277 416 I C 0.804 177.037 176.117 0.194 0.000 1.243 416 I CA 0.316 61.722 61.300 0.177 0.000 1.459 416 I CB 0.322 38.450 38.000 0.214 0.000 1.093 416 I HN 0.349 nan 8.210 nan 0.000 0.453 417 S N -0.537 115.301 115.700 0.230 0.000 2.605 417 S HA 0.216 4.687 4.470 0.001 0.000 0.324 417 S C -2.377 172.281 174.600 0.097 0.000 0.978 417 S CA -0.760 57.489 58.200 0.082 0.000 0.864 417 S CB 1.101 64.228 63.200 -0.122 0.000 1.095 417 S HN -0.237 nan 8.310 nan 0.000 0.460 418 P HA 0.006 nan 4.420 nan 0.000 0.223 418 P C 1.395 178.714 177.300 0.032 0.000 1.144 418 P CA 0.679 63.813 63.100 0.056 0.000 0.783 418 P CB 0.087 31.802 31.700 0.025 0.000 0.771 419 L N -2.786 118.395 121.223 -0.069 0.000 2.131 419 L HA -0.107 4.234 4.340 0.001 0.000 0.210 419 L C 0.757 177.615 176.870 -0.021 0.000 1.092 419 L CA 0.429 55.196 54.840 -0.121 0.000 0.759 419 L CB -0.887 41.017 42.059 -0.259 0.000 0.903 419 L HN -0.067 nan 8.230 nan 0.000 0.435 420 F N 1.012 121.051 119.950 0.149 0.000 2.495 420 F HA -0.044 4.484 4.527 0.001 0.000 0.370 420 F C 1.118 177.023 175.800 0.175 0.000 1.117 420 F CA 0.211 58.352 58.000 0.236 0.000 1.060 420 F CB -0.590 38.486 39.000 0.127 0.000 1.065 420 F HN -0.084 nan 8.300 nan 0.000 0.571 421 S N 0.948 116.902 115.700 0.422 0.000 2.730 421 S HA 0.140 4.611 4.470 0.001 0.000 0.284 421 S C 1.335 176.053 174.600 0.197 0.000 1.153 421 S CA -0.314 58.038 58.200 0.252 0.000 0.995 421 S CB 1.597 64.917 63.200 0.200 0.000 1.058 421 S HN 0.628 nan 8.310 nan 0.000 0.552 422 S N 1.158 116.932 115.700 0.123 0.000 2.387 422 S HA -0.220 4.251 4.470 0.001 0.000 0.230 422 S C 1.256 175.896 174.600 0.066 0.000 1.035 422 S CA 2.253 60.499 58.200 0.077 0.000 1.014 422 S CB -0.984 62.250 63.200 0.056 0.000 0.836 422 S HN 0.812 nan 8.310 nan 0.000 0.466 423 D N 0.400 120.862 120.400 0.103 0.000 2.390 423 D HA -0.006 4.635 4.640 0.001 0.000 0.235 423 D C 1.232 177.543 176.300 0.018 0.000 1.040 423 D CA 0.374 54.429 54.000 0.092 0.000 0.923 423 D CB -0.236 40.648 40.800 0.140 0.000 0.886 423 D HN 0.312 nan 8.370 nan 0.000 0.532 424 V N 0.590 120.440 119.914 -0.107 0.000 3.444 424 V HA -0.118 4.003 4.120 0.001 0.000 0.271 424 V C 1.852 177.763 176.094 -0.304 0.000 1.188 424 V CA 1.459 63.431 62.300 -0.547 0.000 1.168 424 V CB -0.720 30.841 31.823 -0.436 0.000 0.810 424 V HN 0.510 nan 8.190 nan 0.000 0.500 425 S N -1.160 114.483 115.700 -0.094 0.000 2.458 425 S HA -0.107 4.364 4.470 0.001 0.000 0.223 425 S C 1.658 176.238 174.600 -0.034 0.000 1.019 425 S CA 0.603 58.827 58.200 0.039 0.000 0.937 425 S CB -0.244 62.985 63.200 0.048 0.000 0.788 425 S HN 0.685 nan 8.310 nan 0.000 0.511 426 Q N 0.924 120.672 119.800 -0.086 0.000 2.439 426 Q HA 0.033 4.374 4.340 0.001 0.000 0.211 426 Q C 1.899 177.794 176.000 -0.175 0.000 0.978 426 Q CA 1.033 56.787 55.803 -0.082 0.000 0.897 426 Q CB -0.450 28.266 28.738 -0.037 0.000 0.956 426 Q HN 0.493 nan 8.270 nan 0.000 0.483 427 V N -0.127 119.570 119.914 -0.361 0.000 2.427 427 V HA -0.169 3.952 4.120 0.001 0.000 0.248 427 V C 0.774 176.509 176.094 -0.598 0.000 1.051 427 V CA 1.263 63.231 62.300 -0.554 0.000 1.048 427 V CB -0.271 30.996 31.823 -0.926 0.000 0.666 427 V HN 0.279 nan 8.190 nan 0.000 0.456 428 F N 1.955 121.781 119.950 -0.208 0.000 2.606 428 F HA 0.401 4.929 4.527 0.001 0.000 0.347 428 F C 0.558 176.173 175.800 -0.309 0.000 1.207 428 F CA -0.042 57.789 58.000 -0.281 0.000 1.306 428 F CB -0.257 38.604 39.000 -0.232 0.000 1.657 428 F HN 0.097 nan 8.300 nan 0.000 0.606 429 N N 1.250 119.802 118.700 -0.247 0.000 2.572 429 N HA 0.097 4.838 4.740 0.001 0.000 0.287 429 N C 0.085 175.471 175.510 -0.207 0.000 1.136 429 N CA -0.469 52.467 53.050 -0.189 0.000 0.900 429 N CB 0.518 38.964 38.487 -0.068 0.000 1.484 429 N HN 0.183 nan 8.380 nan 0.000 0.526 430 F N 1.531 121.507 119.950 0.043 0.000 2.333 430 F HA -0.100 4.428 4.527 0.001 0.000 0.300 430 F C 2.150 177.975 175.800 0.041 0.000 1.083 430 F CA 0.721 58.744 58.000 0.038 0.000 1.395 430 F CB 0.277 39.291 39.000 0.025 0.000 1.056 430 F HN 0.325 nan 8.300 nan 0.000 0.529 431 V N -0.227 119.788 119.914 0.168 0.000 2.407 431 V HA -0.202 3.919 4.120 0.001 0.000 0.245 431 V C 2.040 178.183 176.094 0.082 0.000 1.041 431 V CA 1.509 63.880 62.300 0.119 0.000 1.040 431 V CB -0.495 31.382 31.823 0.090 0.000 0.671 431 V HN 0.295 nan 8.190 nan 0.000 0.455 432 N N -0.088 118.636 118.700 0.041 0.000 2.309 432 N HA -0.124 4.617 4.740 0.001 0.000 0.182 432 N C 2.104 177.628 175.510 0.022 0.000 1.018 432 N CA 1.554 54.613 53.050 0.014 0.000 0.876 432 N CB -0.245 38.228 38.487 -0.024 0.000 0.972 432 N HN 0.409 nan 8.380 nan 0.000 0.434 433 S N 0.681 116.406 115.700 0.042 0.000 2.344 433 S HA -0.110 4.361 4.470 0.001 0.000 0.217 433 S C 2.170 176.887 174.600 0.195 0.000 1.033 433 S CA 1.790 60.043 58.200 0.089 0.000 1.017 433 S CB -0.481 62.788 63.200 0.114 0.000 0.941 433 S HN 0.214 nan 8.310 nan 0.000 0.430 434 V N 0.227 120.272 119.914 0.220 0.000 2.594 434 V HA -0.012 4.109 4.120 0.001 0.000 0.253 434 V C 2.037 178.283 176.094 0.253 0.000 1.069 434 V CA 2.227 64.697 62.300 0.284 0.000 1.082 434 V CB -1.111 30.825 31.823 0.188 0.000 0.680 434 V HN 0.333 nan 8.190 nan 0.000 0.469 435 E N 0.522 120.802 120.200 0.133 0.000 2.472 435 E HA -0.108 4.242 4.350 0.001 0.000 0.200 435 E C 2.170 178.775 176.600 0.008 0.000 1.046 435 E CA 0.931 57.376 56.400 0.074 0.000 0.871 435 E CB -0.408 29.319 29.700 0.045 0.000 0.806 435 E HN 0.828 nan 8.360 nan 0.000 0.533 436 Q N -1.161 118.589 119.800 -0.084 0.000 2.187 436 Q HA -0.075 4.266 4.340 0.001 0.000 0.199 436 Q C 0.143 175.920 176.000 -0.372 0.000 0.957 436 Q CA 0.685 56.301 55.803 -0.311 0.000 0.857 436 Q CB 0.012 28.391 28.738 -0.598 0.000 0.929 436 Q HN 0.400 nan 8.270 nan 0.000 0.453 437 Y N 1.132 121.451 120.300 0.031 0.000 2.851 437 Y HA 0.055 4.606 4.550 0.002 0.000 0.369 437 Y C 1.301 177.217 175.900 0.026 0.000 1.226 437 Y CA 0.173 58.291 58.100 0.029 0.000 1.949 437 Y CB -0.692 37.788 38.460 0.033 0.000 2.059 437 Y HN 0.084 nan 8.280 nan 0.000 0.420 438 T N -2.762 111.836 114.554 0.073 0.000 3.113 438 T HA 0.287 4.637 4.350 0.001 0.000 0.256 438 T C 1.083 175.818 174.700 0.058 0.000 1.131 438 T CA 0.125 62.261 62.100 0.061 0.000 1.074 438 T CB -0.069 68.815 68.868 0.027 0.000 0.944 438 T HN 0.423 nan 8.240 nan 0.000 0.516 439 A N 2.696 125.555 122.820 0.066 0.000 2.406 439 A HA 0.548 4.869 4.320 0.001 0.000 0.243 439 A C 0.886 178.508 177.584 0.063 0.000 1.082 439 A CA -0.658 51.412 52.037 0.056 0.000 0.786 439 A CB -0.117 18.917 19.000 0.057 0.000 1.029 439 A HN 0.349 nan 8.150 nan 0.000 0.495 440 M N 1.121 120.752 119.600 0.050 0.000 2.274 440 M HA 0.058 4.539 4.480 0.001 0.000 0.377 440 M C 1.540 177.865 176.300 0.043 0.000 1.428 440 M CA 1.985 57.315 55.300 0.049 0.000 0.907 440 M CB -1.330 31.294 32.600 0.041 0.000 1.974 440 M HN 1.643 nan 8.290 nan 0.000 0.479 441 G N 2.556 111.380 108.800 0.040 0.000 2.284 441 G HA2 -0.199 3.762 3.960 0.001 0.000 0.247 441 G HA3 -0.199 3.762 3.960 0.001 0.000 0.247 441 G C 0.588 175.506 174.900 0.029 0.000 1.012 441 G CA 0.296 45.408 45.100 0.020 0.000 0.618 441 G HN 1.115 nan 8.290 nan 0.000 0.521 442 G N -0.865 107.975 108.800 0.066 0.000 2.785 442 G HA2 0.371 4.332 3.960 0.001 0.000 0.256 442 G HA3 0.371 4.332 3.960 0.001 0.000 0.256 442 G C 1.043 175.990 174.900 0.077 0.000 1.248 442 G CA 1.195 46.359 45.100 0.106 0.000 0.914 442 G HN 0.931 nan 8.290 nan 0.000 0.580 443 T N -0.670 113.938 114.554 0.091 0.000 3.086 443 T HA 0.450 4.801 4.350 0.001 0.000 0.250 443 T C 1.359 176.127 174.700 0.113 0.000 1.074 443 T CA 0.732 62.873 62.100 0.069 0.000 0.988 443 T CB -0.709 68.168 68.868 0.015 0.000 0.988 443 T HN 0.893 nan 8.240 nan 0.000 0.530 444 A N 1.239 124.147 122.820 0.148 0.000 2.507 444 A HA 0.273 4.594 4.320 0.001 0.000 0.235 444 A C 1.503 179.138 177.584 0.085 0.000 1.070 444 A CA 0.132 52.242 52.037 0.123 0.000 0.768 444 A CB 0.110 19.175 19.000 0.109 0.000 1.011 444 A HN 0.473 nan 8.150 nan 0.000 0.502 445 K N 1.196 121.641 120.400 0.074 0.000 2.113 445 K HA -0.186 4.135 4.320 0.001 0.000 0.208 445 K C 2.274 178.904 176.600 0.049 0.000 1.047 445 K CA 2.419 58.742 56.287 0.060 0.000 0.928 445 K CB -0.259 32.274 32.500 0.054 0.000 0.716 445 K HN 0.881 nan 8.250 nan 0.000 0.446 446 S N -0.909 114.819 115.700 0.046 0.000 2.356 446 S HA -0.157 4.313 4.470 0.001 0.000 0.223 446 S C 2.215 176.839 174.600 0.040 0.000 1.032 446 S CA 1.646 59.868 58.200 0.037 0.000 1.005 446 S CB -0.746 62.474 63.200 0.033 0.000 0.867 446 S HN 0.324 nan 8.310 nan 0.000 0.449 447 S N 1.127 116.858 115.700 0.051 0.000 2.382 447 S HA -0.094 4.377 4.470 0.001 0.000 0.228 447 S C 2.016 176.644 174.600 0.048 0.000 1.027 447 S CA 1.482 59.714 58.200 0.055 0.000 0.991 447 S CB -0.878 62.363 63.200 0.068 0.000 0.823 447 S HN 0.747 nan 8.310 nan 0.000 0.469 448 V N -0.393 119.548 119.914 0.045 0.000 2.427 448 V HA -0.057 4.064 4.120 0.001 0.000 0.248 448 V C 2.338 178.449 176.094 0.029 0.000 1.051 448 V CA 2.162 64.483 62.300 0.035 0.000 1.048 448 V CB -1.934 29.912 31.823 0.038 0.000 0.666 448 V HN 0.413 nan 8.190 nan 0.000 0.456 449 T N 1.095 115.666 114.554 0.029 0.000 2.708 449 T HA -0.169 4.182 4.350 0.001 0.000 0.266 449 T C 1.976 176.682 174.700 0.010 0.000 1.037 449 T CA 2.459 64.570 62.100 0.019 0.000 1.146 449 T CB -0.676 68.201 68.868 0.017 0.000 0.865 449 T HN 0.684 nan 8.240 nan 0.000 0.435 450 T N 2.408 116.970 114.554 0.013 0.000 2.788 450 T HA -0.117 4.234 4.350 0.001 0.000 0.268 450 T C 2.110 176.832 174.700 0.037 0.000 1.044 450 T CA 1.036 63.134 62.100 -0.003 0.000 1.139 450 T CB -0.291 68.587 68.868 0.016 0.000 0.867 450 T HN 0.482 nan 8.240 nan 0.000 0.454 451 Q N 0.315 120.159 119.800 0.074 0.000 2.084 451 Q HA 0.008 4.349 4.340 0.001 0.000 0.202 451 Q C 2.378 178.420 176.000 0.070 0.000 0.978 451 Q CA 1.156 57.020 55.803 0.101 0.000 0.844 451 Q CB -0.370 28.394 28.738 0.044 0.000 0.898 451 Q HN 0.516 nan 8.270 nan 0.000 0.426 452 I N 0.670 121.257 120.570 0.030 0.000 2.361 452 I HA -0.258 3.913 4.170 0.001 0.000 0.251 452 I C 1.914 178.037 176.117 0.011 0.000 1.133 452 I CA 1.146 62.455 61.300 0.015 0.000 1.413 452 I CB -0.135 37.869 38.000 0.007 0.000 1.073 452 I HN 0.245 nan 8.210 nan 0.000 0.424 453 E N -0.245 119.949 120.200 -0.010 0.000 2.047 453 E HA -0.209 4.142 4.350 0.001 0.000 0.191 453 E C 2.195 178.770 176.600 -0.041 0.000 0.987 453 E CA 0.880 57.252 56.400 -0.048 0.000 0.799 453 E CB -0.032 29.607 29.700 -0.101 0.000 0.752 453 E HN 0.459 nan 8.360 nan 0.000 0.449 454 H N 0.241 119.304 119.070 -0.012 0.000 2.251 454 H HA -0.156 4.401 4.556 0.001 0.000 0.294 454 H C 2.209 177.526 175.328 -0.018 0.000 1.078 454 H CA 1.366 57.405 56.048 -0.015 0.000 1.246 454 H CB -0.373 29.378 29.762 -0.018 0.000 1.358 454 H HN 0.082 nan 8.280 nan 0.000 0.488 455 L N 0.898 122.193 121.223 0.121 0.000 2.051 455 L HA -0.213 4.127 4.340 0.001 0.000 0.214 455 L C 2.738 179.625 176.870 0.028 0.000 1.076 455 L CA 1.402 56.270 54.840 0.047 0.000 0.758 455 L CB -0.859 41.208 42.059 0.014 0.000 0.890 455 L HN 0.169 nan 8.230 nan 0.000 0.433 456 R N -0.227 120.286 120.500 0.021 0.000 2.105 456 R HA -0.150 4.191 4.340 0.001 0.000 0.239 456 R C 2.039 178.346 176.300 0.010 0.000 1.135 456 R CA 1.238 57.343 56.100 0.008 0.000 0.967 456 R CB -0.203 30.098 30.300 0.000 0.000 0.861 456 R HN 0.492 nan 8.270 nan 0.000 0.442 457 E N 0.254 120.466 120.200 0.020 0.000 2.158 457 E HA -0.076 4.275 4.350 0.001 0.000 0.191 457 E C 2.185 178.803 176.600 0.029 0.000 0.982 457 E CA 0.531 56.944 56.400 0.022 0.000 0.823 457 E CB -0.073 29.643 29.700 0.026 0.000 0.766 457 E HN 0.341 nan 8.360 nan 0.000 0.468 458 L N 0.063 121.309 121.223 0.038 0.000 2.095 458 L HA -0.028 4.313 4.340 0.001 0.000 0.204 458 L C 2.607 179.483 176.870 0.011 0.000 1.080 458 L CA 0.721 55.576 54.840 0.025 0.000 0.759 458 L CB -0.341 41.730 42.059 0.020 0.000 0.914 458 L HN 0.094 nan 8.230 nan 0.000 0.439 459 M N -0.464 119.140 119.600 0.007 0.000 2.202 459 M HA -0.213 4.267 4.480 0.001 0.000 0.262 459 M C 1.871 178.170 176.300 -0.001 0.000 1.063 459 M CA 1.653 56.953 55.300 0.000 0.000 1.097 459 M CB -0.139 32.460 32.600 -0.002 0.000 1.382 459 M HN 0.007 nan 8.290 nan 0.000 0.413 460 K N -0.485 119.916 120.400 0.002 0.000 2.323 460 K HA 0.014 4.335 4.320 0.001 0.000 0.197 460 K C 1.715 178.316 176.600 0.001 0.000 1.043 460 K CA 0.664 56.951 56.287 -0.001 0.000 0.997 460 K CB 0.055 32.554 32.500 -0.001 0.000 0.807 460 K HN -0.054 nan 8.250 nan 0.000 0.497 461 K N 0.672 121.075 120.400 0.005 0.000 2.031 461 K HA -0.040 4.280 4.320 0.001 0.000 0.205 461 K C 1.796 178.397 176.600 0.002 0.000 1.049 461 K CA 1.381 57.672 56.287 0.006 0.000 0.939 461 K CB 0.043 32.551 32.500 0.013 0.000 0.717 461 K HN -0.025 nan 8.250 nan 0.000 0.438 462 Q N 0.252 120.053 119.800 0.001 0.000 1.615 462 Q HA -0.022 4.319 4.340 0.001 0.000 0.457 462 Q C 0.465 176.461 176.000 -0.006 0.000 0.949 462 Q CA 1.149 56.951 55.803 -0.001 0.000 0.901 462 Q CB -0.019 28.719 28.738 -0.000 0.000 0.929 462 Q HN 0.016 nan 8.270 nan 0.000 0.395 463 K N -0.112 120.283 120.400 -0.009 0.000 1.931 463 K HA -0.332 3.988 4.320 0.001 0.000 0.126 463 K C 0.096 176.685 176.600 -0.018 0.000 1.372 463 K CA 1.766 58.044 56.287 -0.015 0.000 0.483 463 K CB -1.429 31.063 32.500 -0.013 0.000 0.562 463 K HN 0.706 nan 8.250 nan 0.000 0.923 464 E N 0.000 120.188 120.200 -0.020 0.000 2.725 464 E HA 0.000 4.351 4.350 0.001 0.000 0.291 464 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 464 E CB 0.000 29.689 29.700 -0.019 0.000 0.812 464 E HN 0.000 nan 8.360 nan 0.000 0.440