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 1vix_1_A DATA FIRST_RESID -1 DATA SEQUENCE MSLDKLLERF LNYVSLDTQS KAGVRQVPST EGQWKLLHLL KEQLEEMGLI DATA SEQUENCE NVTLSEKGTL MATLPANVPG DIPAIGFISH VDTSPDCSGK NVNPQIVENY DATA SEQUENCE RGGDIALGIG DEVLSPVMFP VLHQLLGQTL ITTDGKTLLG ADDKAGIAEI DATA SEQUENCE MTALAVLQQK KIPHGDIRVA FTPDEEVGKG AKHFDVDAFD ARWAYTVDGG DATA SEQUENCE GVGELEFENF NAASVNIKIV GNNVHPGTAK GVMVNALSLA ARIHAEVPAD DATA SEQUENCE ESPEMTEGYE GFYHLASMKG TVERADMHYI IRDFDRKQFE ARKRKMMEIA DATA SEQUENCE KKVGKGLHPD CYIELVIEDS YYNMREKVVE HPHILDIAQQ AMRDCDIEPE DATA SEQUENCE LKPIRGGTDG AQLSFMGLPC PNLFTGGYNY HGKHEFVTLE GMEKAVQVIV DATA SEQUENCE RIAELTAQRK E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 M HA 0.000 nan 4.480 nan 0.000 0.227 -1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 -1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 -1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 0 S N 1.411 117.110 115.700 -0.001 0.000 3.516 0 S HA -0.112 4.357 4.470 -0.001 0.000 0.562 0 S C 0.441 175.041 174.600 -0.000 0.000 0.655 0 S CA 0.384 58.584 58.200 -0.000 0.000 1.400 0 S CB -0.964 62.234 63.200 -0.002 0.000 0.946 0 S HN 0.544 nan 8.310 nan 0.000 0.871 1 L N 3.017 124.243 121.223 0.004 0.000 2.141 1 L HA -0.080 4.260 4.340 -0.001 0.000 0.209 1 L C 2.299 179.176 176.870 0.011 0.000 1.094 1 L CA 1.170 56.014 54.840 0.008 0.000 0.763 1 L CB -0.407 41.660 42.059 0.014 0.000 0.908 1 L HN 0.597 nan 8.230 nan 0.000 0.437 2 D N 0.479 120.885 120.400 0.009 0.000 2.106 2 D HA -0.189 4.451 4.640 -0.001 0.000 0.191 2 D C 2.167 178.468 176.300 0.000 0.000 0.997 2 D CA 1.251 55.255 54.000 0.007 0.000 0.834 2 D CB 0.014 40.817 40.800 0.004 0.000 0.956 2 D HN 0.164 nan 8.370 nan 0.000 0.448 3 K N 0.465 120.862 120.400 -0.005 0.000 2.057 3 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 3 K C 2.264 178.852 176.600 -0.019 0.000 1.049 3 K CA 0.260 56.538 56.287 -0.015 0.000 0.931 3 K CB -0.821 31.671 32.500 -0.015 0.000 0.714 3 K HN 0.186 nan 8.250 nan 0.000 0.440 4 L N 1.373 122.591 121.223 -0.008 0.000 2.012 4 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 4 L C 2.259 179.146 176.870 0.028 0.000 1.073 4 L CA 1.354 56.192 54.840 -0.003 0.000 0.748 4 L CB -0.709 41.344 42.059 -0.010 0.000 0.891 4 L HN 0.065 nan 8.230 nan 0.000 0.431 5 L N 0.047 121.295 121.223 0.043 0.000 1.989 5 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 5 L C 2.552 179.460 176.870 0.064 0.000 1.071 5 L CA 2.330 57.228 54.840 0.098 0.000 0.749 5 L CB -1.023 41.081 42.059 0.075 0.000 0.890 5 L HN 0.608 nan 8.230 nan 0.000 0.431 6 E N -0.524 119.676 120.200 0.001 0.000 2.070 6 E HA -0.328 4.021 4.350 -0.001 0.000 0.197 6 E C 2.459 178.988 176.600 -0.118 0.000 1.004 6 E CA 1.581 57.952 56.400 -0.048 0.000 0.805 6 E CB -0.275 29.397 29.700 -0.046 0.000 0.744 6 E HN 0.491 nan 8.360 nan 0.000 0.451 7 R N -0.255 120.160 120.500 -0.141 0.000 2.083 7 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 7 R C 2.409 178.419 176.300 -0.484 0.000 1.137 7 R CA 1.709 57.610 56.100 -0.332 0.000 0.951 7 R CB -0.589 29.564 30.300 -0.246 0.000 0.851 7 R HN 0.329 nan 8.270 nan 0.000 0.434 8 F N 1.293 121.049 119.950 -0.323 0.000 2.095 8 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 8 F C 1.891 177.599 175.800 -0.154 0.000 1.104 8 F CA 1.436 59.320 58.000 -0.194 0.000 1.232 8 F CB -0.100 38.861 39.000 -0.064 0.000 0.987 8 F HN 0.017 nan 8.300 nan 0.000 0.475 9 L N 0.296 121.326 121.223 -0.322 0.000 2.131 9 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 9 L C 2.151 178.855 176.870 -0.278 0.000 1.092 9 L CA 0.877 55.501 54.840 -0.360 0.000 0.759 9 L CB -0.890 41.062 42.059 -0.178 0.000 0.903 9 L HN 0.239 nan 8.230 nan 0.000 0.435 10 N N -0.298 118.237 118.700 -0.276 0.000 2.142 10 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 10 N C 1.888 177.340 175.510 -0.096 0.000 1.023 10 N CA 1.424 54.351 53.050 -0.205 0.000 0.852 10 N CB -0.186 38.155 38.487 -0.243 0.000 0.998 10 N HN 0.449 nan 8.380 nan 0.000 0.424 11 Y N 0.269 120.495 120.300 -0.123 0.000 2.220 11 Y HA -0.076 4.474 4.550 -0.001 0.000 0.291 11 Y C 2.490 178.291 175.900 -0.165 0.000 1.129 11 Y CA 0.102 58.130 58.100 -0.119 0.000 1.161 11 Y CB -0.283 38.128 38.460 -0.081 0.000 0.997 11 Y HN -0.183 nan 8.280 nan 0.000 0.522 12 V N 0.406 120.223 119.914 -0.161 0.000 2.324 12 V HA -0.362 3.758 4.120 -0.001 0.000 0.250 12 V C 2.514 178.533 176.094 -0.125 0.000 1.060 12 V CA 2.334 64.488 62.300 -0.244 0.000 1.042 12 V CB -0.927 30.582 31.823 -0.523 0.000 0.650 12 V HN 0.593 nan 8.190 nan 0.000 0.450 13 S N -0.586 115.049 115.700 -0.109 0.000 2.419 13 S HA -0.064 4.406 4.470 -0.001 0.000 0.233 13 S C 0.862 175.446 174.600 -0.027 0.000 1.016 13 S CA 0.672 58.835 58.200 -0.063 0.000 0.974 13 S CB -0.711 62.454 63.200 -0.058 0.000 0.786 13 S HN 0.476 nan 8.310 nan 0.000 0.492 14 L N 2.856 124.075 121.223 -0.008 0.000 2.361 14 L HA 0.277 4.616 4.340 -0.001 0.000 0.278 14 L C 0.058 176.930 176.870 0.004 0.000 1.113 14 L CA -0.444 54.402 54.840 0.010 0.000 0.849 14 L CB 0.298 42.374 42.059 0.029 0.000 1.155 14 L HN 0.179 nan 8.230 nan 0.000 0.452 15 D N 2.837 123.242 120.400 0.009 0.000 2.346 15 D HA 0.043 4.682 4.640 -0.001 0.000 0.260 15 D C 0.642 176.950 176.300 0.014 0.000 1.252 15 D CA 0.059 54.065 54.000 0.010 0.000 0.895 15 D CB 0.818 41.627 40.800 0.014 0.000 1.097 15 D HN 0.616 nan 8.370 nan 0.000 0.489 16 T N 0.581 115.140 114.554 0.008 0.000 3.460 16 T HA 0.116 4.465 4.350 -0.001 0.000 0.304 16 T C 0.473 175.176 174.700 0.004 0.000 0.991 16 T CA -0.679 61.422 62.100 0.002 0.000 0.975 16 T CB -0.316 68.544 68.868 -0.014 0.000 1.196 16 T HN 0.418 nan 8.240 nan 0.000 0.490 17 Q N 1.584 121.390 119.800 0.010 0.000 2.286 17 Q HA 0.241 4.580 4.340 -0.001 0.000 0.290 17 Q C -0.213 175.786 176.000 -0.001 0.000 1.049 17 Q CA 0.185 55.993 55.803 0.008 0.000 0.923 17 Q CB 0.462 29.206 28.738 0.011 0.000 1.183 17 Q HN 0.419 nan 8.270 nan 0.000 0.383 18 S N 2.911 118.604 115.700 -0.012 0.000 2.632 18 S HA 0.361 4.831 4.470 -0.001 0.000 0.267 18 S C -0.696 173.892 174.600 -0.020 0.000 1.276 18 S CA -0.515 57.671 58.200 -0.024 0.000 0.998 18 S CB 0.809 63.983 63.200 -0.044 0.000 0.953 18 S HN 0.563 nan 8.310 nan 0.000 0.547 19 K N 0.960 121.350 120.400 -0.017 0.000 2.443 19 K HA 0.655 4.974 4.320 -0.001 0.000 0.252 19 K C -0.915 175.676 176.600 -0.014 0.000 0.933 19 K CA -0.651 55.630 56.287 -0.011 0.000 0.792 19 K CB 1.469 33.969 32.500 0.001 0.000 1.185 19 K HN 0.654 nan 8.250 nan 0.000 0.425 20 A N 1.688 124.498 122.820 -0.017 0.000 2.286 20 A HA 0.595 4.914 4.320 -0.001 0.000 0.286 20 A C 0.741 178.319 177.584 -0.009 0.000 1.097 20 A CA 0.269 52.296 52.037 -0.018 0.000 0.821 20 A CB 0.331 19.317 19.000 -0.023 0.000 1.076 20 A HN 1.072 nan 8.150 nan 0.000 0.490 21 G N -0.528 108.267 108.800 -0.008 0.000 2.221 21 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.265 21 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.265 21 G C -0.080 174.823 174.900 0.005 0.000 1.041 21 G CA 0.328 45.427 45.100 -0.003 0.000 0.807 21 G HN 1.412 nan 8.290 nan 0.000 0.502 22 V N -0.583 119.337 119.914 0.010 0.000 2.555 22 V HA 0.594 4.714 4.120 -0.001 0.000 0.302 22 V C 1.306 177.417 176.094 0.029 0.000 1.038 22 V CA -0.271 62.040 62.300 0.019 0.000 0.887 22 V CB 1.688 33.524 31.823 0.022 0.000 0.991 22 V HN 0.345 nan 8.190 nan 0.000 0.434 23 R N 2.624 123.145 120.500 0.034 0.000 2.075 23 R HA 0.003 4.342 4.340 -0.001 0.000 0.226 23 R C 1.163 177.499 176.300 0.059 0.000 1.114 23 R CA 1.024 57.151 56.100 0.045 0.000 0.972 23 R CB -0.143 30.181 30.300 0.039 0.000 0.869 23 R HN 0.773 nan 8.270 nan 0.000 0.437 24 Q N -0.114 119.720 119.800 0.055 0.000 2.364 24 Q HA 0.248 4.588 4.340 -0.001 0.000 0.267 24 Q C -1.317 174.723 176.000 0.066 0.000 0.999 24 Q CA 0.041 55.884 55.803 0.066 0.000 0.886 24 Q CB 1.191 29.977 28.738 0.079 0.000 1.243 24 Q HN 0.089 nan 8.270 nan 0.000 0.415 25 V N 7.359 127.309 119.914 0.059 0.000 2.444 25 V HA 0.460 4.579 4.120 -0.001 0.000 0.294 25 V C -2.161 173.938 176.094 0.009 0.000 1.022 25 V CA -1.725 60.594 62.300 0.032 0.000 0.850 25 V CB 1.441 33.312 31.823 0.081 0.000 0.992 25 V HN 0.890 nan 8.190 nan 0.000 0.426 26 P HA 0.169 nan 4.420 nan 0.000 0.274 26 P C 0.775 178.074 177.300 -0.000 0.000 1.246 26 P CA -0.236 62.794 63.100 -0.118 0.000 0.795 26 P CB 0.876 32.374 31.700 -0.336 0.000 1.006 27 S N -0.969 114.725 115.700 -0.009 0.000 2.453 27 S HA -0.001 4.468 4.470 -0.001 0.000 0.231 27 S C 0.928 175.552 174.600 0.040 0.000 1.005 27 S CA 0.758 58.971 58.200 0.021 0.000 0.949 27 S CB -1.074 62.127 63.200 0.003 0.000 0.774 27 S HN 0.748 nan 8.310 nan 0.000 0.510 28 T N -1.600 112.974 114.554 0.033 0.000 2.906 28 T HA 0.594 4.943 4.350 -0.001 0.000 0.295 28 T C 0.271 175.044 174.700 0.122 0.000 1.061 28 T CA -0.693 61.444 62.100 0.062 0.000 1.000 28 T CB 2.109 70.996 68.868 0.032 0.000 1.103 28 T HN -0.095 nan 8.240 nan 0.000 0.486 29 E N 1.997 122.293 120.200 0.161 0.000 2.077 29 E HA 0.041 4.390 4.350 -0.001 0.000 0.193 29 E C 2.297 179.032 176.600 0.225 0.000 0.989 29 E CA 2.183 58.734 56.400 0.251 0.000 0.800 29 E CB -1.056 28.736 29.700 0.152 0.000 0.746 29 E HN 0.902 nan 8.360 nan 0.000 0.452 30 G N 0.338 109.209 108.800 0.118 0.000 2.469 30 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.220 30 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.220 30 G C 1.452 176.389 174.900 0.062 0.000 1.136 30 G CA 1.057 46.207 45.100 0.083 0.000 0.759 30 G HN 0.364 nan 8.290 nan 0.000 0.562 31 Q N -0.918 118.885 119.800 0.004 0.000 2.170 31 Q HA -0.145 4.195 4.340 -0.001 0.000 0.203 31 Q C 2.306 178.238 176.000 -0.113 0.000 0.976 31 Q CA 1.192 56.933 55.803 -0.103 0.000 0.858 31 Q CB -0.214 28.397 28.738 -0.212 0.000 0.907 31 Q HN 0.784 nan 8.270 nan 0.000 0.433 32 W N 1.413 122.736 121.300 0.037 0.000 2.363 32 W HA -0.132 4.527 4.660 -0.001 0.000 0.296 32 W C 2.136 178.741 176.519 0.144 0.000 1.212 32 W CA 0.702 58.103 57.345 0.094 0.000 1.260 32 W CB 0.107 29.650 29.460 0.139 0.000 1.131 32 W HN 0.048 nan 8.180 nan 0.000 0.530 33 K N -0.350 120.231 120.400 0.302 0.000 2.026 33 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 33 K C 1.880 178.553 176.600 0.122 0.000 1.048 33 K CA 1.368 57.771 56.287 0.194 0.000 0.929 33 K CB -0.839 31.733 32.500 0.119 0.000 0.713 33 K HN 0.077 nan 8.250 nan 0.000 0.439 34 L N 1.589 122.835 121.223 0.039 0.000 2.093 34 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 34 L C 1.900 178.701 176.870 -0.115 0.000 1.085 34 L CA 1.366 56.167 54.840 -0.064 0.000 0.755 34 L CB -0.447 41.531 42.059 -0.136 0.000 0.904 34 L HN 0.130 nan 8.230 nan 0.000 0.435 35 L N -1.182 119.986 121.223 -0.092 0.000 2.012 35 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 35 L C 2.690 179.506 176.870 -0.091 0.000 1.073 35 L CA 1.409 56.166 54.840 -0.138 0.000 0.748 35 L CB -0.866 41.064 42.059 -0.214 0.000 0.891 35 L HN 0.402 nan 8.230 nan 0.000 0.431 36 H N -0.846 118.277 119.070 0.088 0.000 2.395 36 H HA -0.128 4.427 4.556 -0.001 0.000 0.299 36 H C 2.096 177.445 175.328 0.035 0.000 1.070 36 H CA 1.487 57.587 56.048 0.088 0.000 1.356 36 H CB -0.026 29.804 29.762 0.113 0.000 1.401 36 H HN 0.174 nan 8.280 nan 0.000 0.524 37 L N 1.304 122.605 121.223 0.130 0.000 1.971 37 L HA -0.184 4.155 4.340 -0.001 0.000 0.215 37 L C 2.299 179.180 176.870 0.019 0.000 1.072 37 L CA 1.507 56.389 54.840 0.071 0.000 0.758 37 L CB -1.189 40.910 42.059 0.065 0.000 0.889 37 L HN 0.141 nan 8.230 nan 0.000 0.433 38 L N -0.512 120.658 121.223 -0.089 0.000 2.079 38 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 38 L C 2.695 179.536 176.870 -0.049 0.000 1.081 38 L CA 1.817 56.553 54.840 -0.173 0.000 0.752 38 L CB -0.676 41.103 42.059 -0.467 0.000 0.896 38 L HN 0.400 nan 8.230 nan 0.000 0.433 39 K N 0.568 120.963 120.400 -0.009 0.000 1.991 39 K HA -0.292 4.028 4.320 -0.001 0.000 0.212 39 K C 2.102 178.736 176.600 0.057 0.000 1.049 39 K CA 2.114 58.424 56.287 0.039 0.000 0.932 39 K CB -0.147 32.377 32.500 0.041 0.000 0.717 39 K HN 0.276 nan 8.250 nan 0.000 0.441 40 E N 0.322 120.562 120.200 0.068 0.000 2.085 40 E HA -0.270 4.080 4.350 -0.001 0.000 0.194 40 E C 2.104 178.735 176.600 0.051 0.000 0.994 40 E CA 1.503 57.941 56.400 0.062 0.000 0.801 40 E CB 0.026 29.765 29.700 0.066 0.000 0.743 40 E HN 0.413 nan 8.360 nan 0.000 0.453 41 Q N -0.013 119.816 119.800 0.047 0.000 2.135 41 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 41 Q C 2.441 178.473 176.000 0.052 0.000 0.981 41 Q CA 1.397 57.230 55.803 0.049 0.000 0.856 41 Q CB -0.040 28.731 28.738 0.056 0.000 0.902 41 Q HN 0.402 nan 8.270 nan 0.000 0.425 42 L N 0.200 121.459 121.223 0.058 0.000 2.072 42 L HA -0.167 4.173 4.340 -0.001 0.000 0.205 42 L C 2.117 179.023 176.870 0.059 0.000 1.079 42 L CA 1.034 55.919 54.840 0.075 0.000 0.752 42 L CB -0.217 41.907 42.059 0.107 0.000 0.906 42 L HN 0.190 nan 8.230 nan 0.000 0.436 43 E N 0.158 120.389 120.200 0.053 0.000 2.085 43 E HA -0.259 4.090 4.350 -0.001 0.000 0.194 43 E C 1.939 178.561 176.600 0.037 0.000 0.994 43 E CA 1.293 57.719 56.400 0.043 0.000 0.801 43 E CB -0.043 29.682 29.700 0.042 0.000 0.743 43 E HN 0.452 nan 8.360 nan 0.000 0.453 44 E N -0.211 120.012 120.200 0.038 0.000 2.418 44 E HA -0.090 4.260 4.350 -0.001 0.000 0.197 44 E C 1.612 178.230 176.600 0.030 0.000 1.026 44 E CA 0.358 56.777 56.400 0.032 0.000 0.862 44 E CB 0.078 29.797 29.700 0.031 0.000 0.799 44 E HN 0.205 nan 8.360 nan 0.000 0.518 45 M N -1.223 118.398 119.600 0.035 0.000 2.502 45 M HA 0.127 4.607 4.480 -0.001 0.000 0.243 45 M C 0.886 177.204 176.300 0.030 0.000 1.130 45 M CA 0.760 56.079 55.300 0.032 0.000 1.055 45 M CB 0.917 33.540 32.600 0.038 0.000 1.457 45 M HN 0.167 nan 8.290 nan 0.000 0.488 46 G N 0.978 109.796 108.800 0.030 0.000 2.141 46 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.242 46 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.242 46 G C -0.041 174.877 174.900 0.031 0.000 0.982 46 G CA -0.167 44.950 45.100 0.029 0.000 0.662 46 G HN 0.370 nan 8.290 nan 0.000 0.527 47 L N 0.890 122.133 121.223 0.034 0.000 2.464 47 L HA 0.579 4.918 4.340 -0.001 0.000 0.264 47 L C 1.484 178.371 176.870 0.029 0.000 1.199 47 L CA -0.043 54.817 54.840 0.034 0.000 0.818 47 L CB 0.650 42.735 42.059 0.043 0.000 1.102 47 L HN 0.445 nan 8.230 nan 0.000 0.473 48 I N -0.941 119.642 120.570 0.022 0.000 2.982 48 I HA 0.427 4.596 4.170 -0.001 0.000 0.312 48 I C 0.119 176.243 176.117 0.012 0.000 1.041 48 I CA -0.796 60.514 61.300 0.016 0.000 1.053 48 I CB 1.658 39.664 38.000 0.009 0.000 1.248 48 I HN 0.592 nan 8.210 nan 0.000 0.471 49 N N 1.129 119.835 118.700 0.010 0.000 2.725 49 N HA -0.121 4.618 4.740 -0.001 0.000 0.251 49 N C -0.677 174.843 175.510 0.017 0.000 1.031 49 N CA 0.552 53.607 53.050 0.008 0.000 0.720 49 N CB -1.398 37.086 38.487 -0.005 0.000 0.930 49 N HN 0.498 nan 8.380 nan 0.000 0.543 50 V N 0.704 120.634 119.914 0.027 0.000 2.439 50 V HA 0.335 4.454 4.120 -0.001 0.000 0.271 50 V C 1.066 177.180 176.094 0.034 0.000 1.040 50 V CA -0.013 62.310 62.300 0.039 0.000 1.002 50 V CB 1.127 32.980 31.823 0.049 0.000 1.000 50 V HN 0.423 nan 8.190 nan 0.000 0.477 51 T N 3.312 117.884 114.554 0.030 0.000 2.893 51 T HA 0.741 5.091 4.350 -0.001 0.000 0.291 51 T C -0.981 173.730 174.700 0.018 0.000 1.028 51 T CA -0.772 61.341 62.100 0.022 0.000 0.995 51 T CB 2.070 70.944 68.868 0.009 0.000 1.051 51 T HN 0.387 nan 8.240 nan 0.000 0.470 52 L N 2.970 124.208 121.223 0.025 0.000 2.415 52 L HA 0.589 4.929 4.340 -0.001 0.000 0.268 52 L C 0.268 177.177 176.870 0.065 0.000 0.984 52 L CA -0.362 54.495 54.840 0.028 0.000 0.853 52 L CB 1.374 43.440 42.059 0.011 0.000 1.215 52 L HN 1.036 nan 8.230 nan 0.000 0.419 53 S N 2.249 117.973 115.700 0.041 0.000 2.600 53 S HA 0.211 4.681 4.470 -0.001 0.000 0.265 53 S C 0.775 175.460 174.600 0.142 0.000 1.325 53 S CA -0.147 58.083 58.200 0.050 0.000 1.002 53 S CB 0.554 63.752 63.200 -0.005 0.000 0.921 53 S HN 0.700 nan 8.310 nan 0.000 0.554 54 E N 0.308 120.572 120.200 0.107 0.000 2.463 54 E HA -0.058 4.292 4.350 -0.001 0.000 0.201 54 E C 1.022 177.744 176.600 0.203 0.000 1.045 54 E CA 0.613 57.100 56.400 0.146 0.000 0.872 54 E CB -0.023 29.706 29.700 0.048 0.000 0.797 54 E HN 0.473 nan 8.360 nan 0.000 0.538 55 K N -0.861 119.595 120.400 0.092 0.000 2.374 55 K HA 0.137 4.456 4.320 -0.001 0.000 0.202 55 K C 0.827 177.364 176.600 -0.106 0.000 1.040 55 K CA 0.589 56.857 56.287 -0.032 0.000 1.085 55 K CB 1.660 33.992 32.500 -0.281 0.000 0.873 55 K HN 0.206 nan 8.250 nan 0.000 0.539 56 G N 1.842 110.557 108.800 -0.142 0.000 2.134 56 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.209 56 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.209 56 G C 0.022 174.756 174.900 -0.278 0.000 0.993 56 G CA 0.030 44.824 45.100 -0.509 0.000 0.669 56 G HN 0.176 nan 8.290 nan 0.000 0.519 57 T N 1.062 115.531 114.554 -0.143 0.000 2.743 57 T HA 0.545 4.895 4.350 -0.001 0.000 0.293 57 T C -0.053 174.588 174.700 -0.099 0.000 0.945 57 T CA -0.159 61.867 62.100 -0.123 0.000 1.030 57 T CB 1.688 70.454 68.868 -0.170 0.000 0.912 57 T HN 0.630 nan 8.240 nan 0.000 0.483 58 L N 5.143 126.340 121.223 -0.044 0.000 2.282 58 L HA 0.722 5.061 4.340 -0.001 0.000 0.288 58 L C -0.750 176.139 176.870 0.032 0.000 1.033 58 L CA -0.166 54.687 54.840 0.022 0.000 0.807 58 L CB 0.853 42.970 42.059 0.097 0.000 1.209 58 L HN 0.656 nan 8.230 nan 0.000 0.423 59 M N 4.498 124.116 119.600 0.030 0.000 2.457 59 M HA 0.849 5.329 4.480 -0.001 0.000 0.300 59 M C -0.921 175.422 176.300 0.072 0.000 1.141 59 M CA -0.440 54.897 55.300 0.061 0.000 0.901 59 M CB 2.341 34.971 32.600 0.050 0.000 1.687 59 M HN 0.808 nan 8.290 nan 0.000 0.449 60 A N 1.119 123.985 122.820 0.077 0.000 2.610 60 A HA 0.901 5.221 4.320 -0.001 0.000 0.291 60 A C -1.342 176.251 177.584 0.014 0.000 1.086 60 A CA -0.627 51.441 52.037 0.052 0.000 0.677 60 A CB 1.975 21.025 19.000 0.083 0.000 1.278 60 A HN 0.605 nan 8.150 nan 0.000 0.414 61 T N 1.124 115.678 114.554 -0.000 0.000 2.879 61 T HA 0.497 4.846 4.350 -0.001 0.000 0.290 61 T C -1.223 173.477 174.700 -0.001 0.000 0.993 61 T CA -0.223 61.860 62.100 -0.027 0.000 0.975 61 T CB 1.091 69.928 68.868 -0.052 0.000 0.981 61 T HN 0.813 nan 8.240 nan 0.000 0.439 62 L N 6.771 127.993 121.223 -0.002 0.000 2.261 62 L HA 0.491 4.830 4.340 -0.001 0.000 0.289 62 L C -2.504 174.414 176.870 0.081 0.000 1.059 62 L CA -1.846 53.009 54.840 0.026 0.000 0.816 62 L CB 0.424 42.463 42.059 -0.033 0.000 1.191 62 L HN 0.300 nan 8.230 nan 0.000 0.431 63 P HA 0.130 nan 4.420 nan 0.000 0.269 63 P C -0.868 176.492 177.300 0.099 0.000 1.215 63 P CA -0.308 62.830 63.100 0.063 0.000 0.780 63 P CB 0.469 32.187 31.700 0.029 0.000 0.898 64 A N 2.425 125.256 122.820 0.018 0.000 2.580 64 A HA -0.117 4.202 4.320 -0.001 0.000 0.244 64 A C 1.647 179.095 177.584 -0.227 0.000 1.045 64 A CA 0.188 52.175 52.037 -0.083 0.000 0.761 64 A CB -0.716 18.243 19.000 -0.069 0.000 0.962 64 A HN 0.666 nan 8.150 nan 0.000 0.512 65 N N 1.242 119.585 118.700 -0.595 0.000 2.216 65 N HA -0.091 4.649 4.740 -0.001 0.000 0.183 65 N C 0.480 175.838 175.510 -0.253 0.000 1.017 65 N CA 1.985 54.717 53.050 -0.529 0.000 0.861 65 N CB -0.106 37.854 38.487 -0.878 0.000 0.986 65 N HN 0.766 nan 8.380 nan 0.000 0.428 66 V N -1.188 118.598 119.914 -0.213 0.000 3.102 66 V HA 0.657 4.777 4.120 -0.001 0.000 0.312 66 V C -2.589 173.454 176.094 -0.085 0.000 1.135 66 V CA -1.884 60.345 62.300 -0.119 0.000 1.022 66 V CB 1.138 32.904 31.823 -0.095 0.000 1.056 66 V HN -0.052 nan 8.190 nan 0.000 0.436 67 P HA 0.677 nan 4.420 nan 0.000 0.274 67 P C 0.073 177.352 177.300 -0.036 0.000 1.237 67 P CA 0.604 63.679 63.100 -0.042 0.000 0.793 67 P CB 1.165 32.846 31.700 -0.032 0.000 0.977 68 G N 0.465 109.247 108.800 -0.029 0.000 2.326 68 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.413 68 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.413 68 G C -1.390 173.497 174.900 -0.021 0.000 1.444 68 G CA -0.740 44.347 45.100 -0.022 0.000 1.002 68 G HN 0.530 nan 8.290 nan 0.000 0.649 69 D N 0.496 120.887 120.400 -0.015 0.000 2.688 69 D HA 0.348 4.987 4.640 -0.001 0.000 0.228 69 D C 0.854 177.146 176.300 -0.013 0.000 1.116 69 D CA -0.043 53.949 54.000 -0.014 0.000 1.023 69 D CB -0.549 40.246 40.800 -0.008 0.000 1.100 69 D HN 0.475 nan 8.370 nan 0.000 0.487 70 I N 2.879 123.437 120.570 -0.020 0.000 2.365 70 I HA 0.275 4.445 4.170 -0.001 0.000 0.291 70 I C -1.627 174.467 176.117 -0.039 0.000 1.004 70 I CA -2.000 59.288 61.300 -0.020 0.000 1.311 70 I CB 1.254 39.241 38.000 -0.021 0.000 1.401 70 I HN 0.105 nan 8.210 nan 0.000 0.491 71 P HA 0.143 nan 4.420 nan 0.000 0.271 71 P C -0.658 176.520 177.300 -0.203 0.000 1.216 71 P CA -0.381 62.669 63.100 -0.084 0.000 0.776 71 P CB 0.844 32.548 31.700 0.006 0.000 0.881 72 A N 4.109 126.800 122.820 -0.216 0.000 2.409 72 A HA 0.504 4.824 4.320 -0.001 0.000 0.267 72 A C 0.589 177.890 177.584 -0.472 0.000 1.127 72 A CA -0.515 51.353 52.037 -0.281 0.000 0.795 72 A CB -0.602 18.256 19.000 -0.237 0.000 1.061 72 A HN 0.643 nan 8.150 nan 0.000 0.502 73 I N 0.054 120.310 120.570 -0.523 0.000 2.740 73 I HA 0.912 5.082 4.170 -0.001 0.000 0.303 73 I C 0.257 176.071 176.117 -0.506 0.000 1.044 73 I CA -0.891 59.970 61.300 -0.731 0.000 1.064 73 I CB 2.385 39.799 38.000 -0.976 0.000 1.249 73 I HN 0.551 nan 8.210 nan 0.000 0.433 74 G N 3.269 111.771 108.800 -0.496 0.000 2.454 74 G HA2 0.748 4.708 3.960 -0.001 0.000 0.329 74 G HA3 0.748 4.708 3.960 -0.001 0.000 0.329 74 G C -1.687 172.951 174.900 -0.437 0.000 1.177 74 G CA -0.626 44.371 45.100 -0.172 0.000 0.951 74 G HN 0.512 nan 8.290 nan 0.000 0.485 75 F N -0.039 120.005 119.950 0.156 0.000 2.539 75 F HA 0.551 5.077 4.527 -0.001 0.000 0.318 75 F C -0.063 175.712 175.800 -0.042 0.000 1.135 75 F CA -0.548 57.487 58.000 0.058 0.000 0.915 75 F CB 2.399 41.395 39.000 -0.006 0.000 1.176 75 F HN 0.137 nan 8.300 nan 0.000 0.440 76 I N 2.051 122.655 120.570 0.057 0.000 2.545 76 I HA 0.583 4.753 4.170 -0.001 0.000 0.292 76 I C -0.403 175.689 176.117 -0.042 0.000 1.040 76 I CA -0.266 60.980 61.300 -0.089 0.000 1.068 76 I CB 2.220 40.126 38.000 -0.156 0.000 1.251 76 I HN 0.455 nan 8.210 nan 0.000 0.424 77 S N 1.965 117.632 115.700 -0.056 0.000 2.627 77 S HA 0.556 5.025 4.470 -0.001 0.000 0.283 77 S C -1.251 173.417 174.600 0.113 0.000 1.127 77 S CA -0.690 57.533 58.200 0.039 0.000 0.863 77 S CB 1.576 64.835 63.200 0.098 0.000 1.121 77 S HN 0.748 nan 8.310 nan 0.000 0.479 78 H N -1.422 117.681 119.070 0.056 0.000 2.499 78 H HA 0.624 5.179 4.556 -0.001 0.000 0.340 78 H C 0.729 176.064 175.328 0.012 0.000 1.148 78 H CA -0.997 55.069 56.048 0.030 0.000 1.215 78 H CB 0.667 30.418 29.762 -0.018 0.000 1.529 78 H HN 0.282 nan 8.280 nan 0.000 0.510 79 V N -1.164 118.796 119.914 0.076 0.000 3.541 79 V HA 0.053 4.173 4.120 -0.001 0.000 0.267 79 V C 0.225 176.318 176.094 -0.002 0.000 1.213 79 V CA 0.411 62.686 62.300 -0.042 0.000 1.149 79 V CB -0.841 30.917 31.823 -0.109 0.000 0.822 79 V HN 0.887 nan 8.190 nan 0.000 0.462 80 D N 1.319 121.791 120.400 0.119 0.000 2.277 80 D HA 0.441 5.080 4.640 -0.001 0.000 0.250 80 D C 0.038 176.424 176.300 0.143 0.000 1.032 80 D CA 0.283 54.335 54.000 0.086 0.000 0.947 80 D CB 1.963 42.783 40.800 0.034 0.000 1.159 80 D HN 0.404 nan 8.370 nan 0.000 0.460 81 T N -2.581 112.017 114.554 0.073 0.000 2.942 81 T HA 0.427 4.776 4.350 -0.001 0.000 0.289 81 T C 0.253 174.978 174.700 0.042 0.000 1.044 81 T CA -0.958 61.194 62.100 0.085 0.000 1.023 81 T CB 1.367 70.275 68.868 0.067 0.000 1.123 81 T HN 0.377 nan 8.240 nan 0.000 0.512 82 S N 1.252 116.980 115.700 0.046 0.000 2.568 82 S HA 0.225 4.694 4.470 -0.001 0.000 0.282 82 S C -1.526 173.057 174.600 -0.027 0.000 1.338 82 S CA -1.303 56.865 58.200 -0.053 0.000 1.045 82 S CB 0.151 63.275 63.200 -0.127 0.000 0.873 82 S HN 0.587 nan 8.310 nan 0.000 0.516 83 P HA 0.032 nan 4.420 nan 0.000 0.226 83 P C 0.449 177.743 177.300 -0.010 0.000 1.153 83 P CA 0.575 63.659 63.100 -0.026 0.000 0.777 83 P CB 0.053 31.732 31.700 -0.036 0.000 0.794 84 D N -1.387 119.004 120.400 -0.015 0.000 2.218 84 D HA -0.079 4.561 4.640 -0.001 0.000 0.204 84 D C 0.706 177.030 176.300 0.040 0.000 0.976 84 D CA 0.868 54.878 54.000 0.017 0.000 0.853 84 D CB -0.283 40.538 40.800 0.035 0.000 0.939 84 D HN 0.175 nan 8.370 nan 0.000 0.481 85 C N -1.058 118.269 119.300 0.046 0.000 3.173 85 C HA 0.524 4.984 4.460 -0.001 0.000 0.310 85 C C -0.187 174.825 174.990 0.036 0.000 1.306 85 C CA -0.882 58.162 59.018 0.045 0.000 1.426 85 C CB 1.514 29.291 27.740 0.061 0.000 1.800 85 C HN 0.156 nan 8.230 nan 0.000 0.470 86 S N 0.977 116.693 115.700 0.027 0.000 2.549 86 S HA 0.417 4.887 4.470 -0.001 0.000 0.286 86 S C 0.897 175.512 174.600 0.025 0.000 1.314 86 S CA 0.708 58.921 58.200 0.022 0.000 1.062 86 S CB 0.630 63.839 63.200 0.015 0.000 0.865 86 S HN 1.282 nan 8.310 nan 0.000 0.498 87 G N 3.482 112.295 108.800 0.021 0.000 3.651 87 G HA2 0.200 4.159 3.960 -0.001 0.000 0.279 87 G HA3 0.200 4.159 3.960 -0.001 0.000 0.279 87 G C 0.004 174.909 174.900 0.009 0.000 1.024 87 G CA -0.423 44.689 45.100 0.019 0.000 0.813 87 G HN 0.685 nan 8.290 nan 0.000 0.518 88 K N 1.111 121.516 120.400 0.008 0.000 2.156 88 K HA 0.239 4.559 4.320 -0.001 0.000 0.271 88 K C 0.266 176.866 176.600 -0.000 0.000 0.995 88 K CA -0.664 55.626 56.287 0.005 0.000 0.890 88 K CB 0.355 32.860 32.500 0.008 0.000 1.073 88 K HN -0.001 nan 8.250 nan 0.000 0.454 89 N N 1.589 120.286 118.700 -0.004 0.000 2.698 89 N HA -0.176 4.563 4.740 -0.001 0.000 0.258 89 N C -0.677 174.825 175.510 -0.013 0.000 0.978 89 N CA 0.694 53.739 53.050 -0.010 0.000 0.777 89 N CB -1.223 37.261 38.487 -0.005 0.000 0.907 89 N HN 0.292 nan 8.380 nan 0.000 0.543 90 V N 1.062 120.964 119.914 -0.020 0.000 2.673 90 V HA -0.046 4.074 4.120 -0.001 0.000 0.303 90 V C 1.262 177.339 176.094 -0.028 0.000 1.046 90 V CA 0.240 62.526 62.300 -0.022 0.000 1.126 90 V CB 0.812 32.614 31.823 -0.034 0.000 0.934 90 V HN 0.347 nan 8.190 nan 0.000 0.487 91 N N 5.159 123.850 118.700 -0.016 0.000 2.976 91 N HA 0.307 5.046 4.740 -0.001 0.000 0.255 91 N C -2.730 172.776 175.510 -0.006 0.000 1.312 91 N CA -1.245 51.797 53.050 -0.014 0.000 0.897 91 N CB 1.622 40.106 38.487 -0.005 0.000 1.184 91 N HN 0.437 nan 8.380 nan 0.000 0.497 92 P HA 0.043 nan 4.420 nan 0.000 0.268 92 P C -0.732 176.578 177.300 0.017 0.000 1.204 92 P CA 0.266 63.369 63.100 0.005 0.000 0.768 92 P CB 0.731 32.419 31.700 -0.021 0.000 0.842 93 Q N 2.144 121.964 119.800 0.034 0.000 2.293 93 Q HA 0.509 4.849 4.340 -0.001 0.000 0.261 93 Q C -0.506 175.519 176.000 0.041 0.000 0.960 93 Q CA -0.679 55.142 55.803 0.030 0.000 0.882 93 Q CB 1.555 30.307 28.738 0.024 0.000 1.275 93 Q HN 0.398 nan 8.270 nan 0.000 0.445 94 I N 2.346 122.939 120.570 0.038 0.000 2.304 94 I HA 0.178 4.348 4.170 -0.001 0.000 0.291 94 I C -0.610 175.530 176.117 0.039 0.000 1.018 94 I CA -0.678 60.650 61.300 0.046 0.000 1.260 94 I CB 1.289 39.317 38.000 0.047 0.000 1.390 94 I HN 0.294 nan 8.210 nan 0.000 0.475 95 V N 6.617 126.553 119.914 0.036 0.000 2.294 95 V HA 0.258 4.377 4.120 -0.001 0.000 0.272 95 V C 0.307 176.439 176.094 0.063 0.000 1.027 95 V CA -0.746 61.578 62.300 0.040 0.000 0.823 95 V CB 0.369 32.194 31.823 0.003 0.000 1.030 95 V HN 0.653 nan 8.190 nan 0.000 0.457 96 E N 3.514 123.752 120.200 0.064 0.000 2.343 96 E HA 0.153 4.503 4.350 -0.001 0.000 0.269 96 E C 0.481 177.130 176.600 0.081 0.000 1.047 96 E CA -0.428 56.011 56.400 0.065 0.000 0.874 96 E CB 0.423 30.151 29.700 0.047 0.000 1.033 96 E HN 0.622 nan 8.360 nan 0.000 0.409 97 N N 2.475 121.223 118.700 0.079 0.000 2.666 97 N HA -0.272 4.468 4.740 -0.001 0.000 0.274 97 N C -1.132 174.439 175.510 0.101 0.000 1.043 97 N CA 0.616 53.711 53.050 0.074 0.000 0.782 97 N CB -1.135 37.376 38.487 0.040 0.000 0.912 97 N HN 0.551 nan 8.380 nan 0.000 0.556 98 Y N 1.542 121.838 120.300 -0.008 0.000 2.802 98 Y HA -0.139 4.411 4.550 -0.000 0.000 0.333 98 Y C 1.878 177.764 175.900 -0.024 0.000 1.244 98 Y CA 0.089 58.174 58.100 -0.026 0.000 1.558 98 Y CB 0.578 39.011 38.460 -0.045 0.000 1.233 98 Y HN 0.317 nan 8.280 nan 0.000 0.547 99 R N 4.475 124.724 120.500 -0.419 0.000 2.432 99 R HA 0.279 4.619 4.340 -0.001 0.000 0.260 99 R C 0.824 176.781 176.300 -0.572 0.000 0.935 99 R CA 0.566 56.435 56.100 -0.385 0.000 1.080 99 R CB -0.063 30.137 30.300 -0.166 0.000 1.155 99 R HN 1.050 nan 8.270 nan 0.000 0.531 100 G N -0.063 107.987 108.800 -1.250 0.000 2.163 100 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.213 100 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.213 100 G C 0.296 174.978 174.900 -0.364 0.000 0.991 100 G CA -0.185 44.373 45.100 -0.903 0.000 0.653 100 G HN 0.738 nan 8.290 nan 0.000 0.518 101 G N -0.626 108.047 108.800 -0.210 0.000 2.543 101 G HA2 0.533 4.493 3.960 -0.001 0.000 0.267 101 G HA3 0.533 4.493 3.960 -0.001 0.000 0.267 101 G C -0.479 174.476 174.900 0.090 0.000 1.406 101 G CA -0.027 45.063 45.100 -0.017 0.000 1.048 101 G HN 0.144 nan 8.290 nan 0.000 0.548 102 D N -0.696 119.736 120.400 0.053 0.000 2.382 102 D HA 0.356 4.995 4.640 -0.001 0.000 0.240 102 D C -0.125 176.213 176.300 0.062 0.000 1.146 102 D CA 0.426 54.454 54.000 0.047 0.000 0.897 102 D CB 1.298 42.116 40.800 0.029 0.000 1.197 102 D HN 0.063 nan 8.370 nan 0.000 0.432 103 I N 1.181 121.767 120.570 0.026 0.000 2.378 103 I HA 0.378 4.548 4.170 -0.001 0.000 0.291 103 I C 0.141 176.273 176.117 0.026 0.000 0.992 103 I CA -0.801 60.507 61.300 0.013 0.000 1.154 103 I CB 1.751 39.713 38.000 -0.062 0.000 1.315 103 I HN 0.279 nan 8.210 nan 0.000 0.448 104 A N 7.529 130.368 122.820 0.031 0.000 2.409 104 A HA 0.554 4.874 4.320 -0.001 0.000 0.267 104 A C -0.242 177.363 177.584 0.034 0.000 1.127 104 A CA -0.214 51.845 52.037 0.036 0.000 0.795 104 A CB -0.050 18.968 19.000 0.030 0.000 1.061 104 A HN 0.714 nan 8.150 nan 0.000 0.502 105 L N 3.910 125.160 121.223 0.045 0.000 2.259 105 L HA 0.523 4.862 4.340 -0.001 0.000 0.288 105 L C 1.151 178.038 176.870 0.028 0.000 1.051 105 L CA 0.283 55.146 54.840 0.039 0.000 0.824 105 L CB -0.019 42.071 42.059 0.050 0.000 1.206 105 L HN 1.223 nan 8.230 nan 0.000 0.429 106 G N 3.727 112.540 108.800 0.022 0.000 2.692 106 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.248 106 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.248 106 G C -0.303 174.607 174.900 0.018 0.000 1.340 106 G CA -0.601 44.509 45.100 0.017 0.000 0.896 106 G HN 0.538 nan 8.290 nan 0.000 0.570 107 I N 2.856 123.434 120.570 0.015 0.000 2.241 107 I HA 0.574 4.744 4.170 -0.001 0.000 0.294 107 I C 1.166 177.292 176.117 0.015 0.000 1.145 107 I CA 1.291 62.600 61.300 0.014 0.000 1.261 107 I CB -0.045 37.962 38.000 0.011 0.000 1.475 107 I HN 1.159 nan 8.210 nan 0.000 0.533 108 G N 4.004 112.816 108.800 0.019 0.000 2.435 108 G HA2 0.107 4.067 3.960 -0.001 0.000 0.228 108 G HA3 0.107 4.067 3.960 -0.001 0.000 0.228 108 G C -1.033 173.882 174.900 0.026 0.000 1.198 108 G CA -0.115 44.997 45.100 0.020 0.000 0.948 108 G HN 0.382 nan 8.290 nan 0.000 0.487 109 D N -0.035 120.383 120.400 0.030 0.000 2.563 109 D HA 0.183 4.823 4.640 -0.001 0.000 0.237 109 D C -0.164 176.168 176.300 0.054 0.000 1.282 109 D CA -0.113 53.910 54.000 0.037 0.000 0.816 109 D CB 0.293 41.113 40.800 0.032 0.000 1.066 109 D HN 0.289 nan 8.370 nan 0.000 0.501 110 E N 0.515 120.749 120.200 0.057 0.000 2.331 110 E HA 0.410 4.760 4.350 -0.001 0.000 0.272 110 E C -0.191 176.477 176.600 0.114 0.000 1.036 110 E CA -0.478 55.974 56.400 0.087 0.000 0.864 110 E CB 2.631 32.359 29.700 0.048 0.000 1.035 110 E HN -0.011 nan 8.360 nan 0.000 0.408 111 V N 3.035 123.064 119.914 0.192 0.000 2.733 111 V HA 0.208 4.328 4.120 -0.001 0.000 0.306 111 V C -0.666 175.568 176.094 0.233 0.000 1.084 111 V CA -0.951 61.445 62.300 0.160 0.000 0.905 111 V CB 1.890 33.770 31.823 0.094 0.000 1.010 111 V HN 0.463 nan 8.190 nan 0.000 0.424 112 L N 4.774 126.094 121.223 0.161 0.000 2.255 112 L HA 0.777 5.117 4.340 -0.001 0.000 0.289 112 L C 0.240 177.125 176.870 0.026 0.000 1.046 112 L CA 0.540 55.449 54.840 0.114 0.000 0.816 112 L CB 1.177 43.233 42.059 -0.005 0.000 1.197 112 L HN 0.897 nan 8.230 nan 0.000 0.427 113 S N 4.814 120.550 115.700 0.061 0.000 2.557 113 S HA 0.617 5.087 4.470 -0.001 0.000 0.291 113 S C -2.189 172.400 174.600 -0.017 0.000 1.116 113 S CA -1.186 57.015 58.200 0.001 0.000 0.992 113 S CB 1.844 65.033 63.200 -0.017 0.000 1.028 113 S HN 0.484 nan 8.310 nan 0.000 0.484 114 P HA -0.092 nan 4.420 nan 0.000 0.223 114 P C 1.565 178.817 177.300 -0.080 0.000 1.144 114 P CA 0.629 63.612 63.100 -0.196 0.000 0.783 114 P CB -0.036 31.329 31.700 -0.558 0.000 0.771 115 V N -0.823 119.065 119.914 -0.043 0.000 2.358 115 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 115 V C 2.261 178.271 176.094 -0.140 0.000 1.047 115 V CA 1.684 63.964 62.300 -0.034 0.000 1.035 115 V CB -0.810 30.994 31.823 -0.031 0.000 0.658 115 V HN -0.016 nan 8.190 nan 0.000 0.452 116 M N -0.954 118.487 119.600 -0.265 0.000 2.288 116 M HA 0.148 4.628 4.480 -0.001 0.000 0.266 116 M C -0.388 175.377 176.300 -0.892 0.000 1.072 116 M CA 1.252 56.183 55.300 -0.615 0.000 1.132 116 M CB 0.242 32.360 32.600 -0.803 0.000 1.386 116 M HN 0.421 nan 8.290 nan 0.000 0.432 117 F N 0.051 119.941 119.950 -0.099 0.000 2.824 117 F HA 0.367 4.893 4.527 -0.001 0.000 0.375 117 F C -1.937 173.805 175.800 -0.097 0.000 1.190 117 F CA -2.105 55.847 58.000 -0.080 0.000 1.180 117 F CB 0.392 39.348 39.000 -0.073 0.000 1.477 117 F HN -0.046 nan 8.300 nan 0.000 0.542 118 P HA -0.105 nan 4.420 nan 0.000 0.234 118 P C 1.710 179.079 177.300 0.115 0.000 1.167 118 P CA 0.726 63.909 63.100 0.139 0.000 0.763 118 P CB 0.593 32.402 31.700 0.181 0.000 0.835 119 V N -0.013 119.930 119.914 0.047 0.000 2.720 119 V HA -0.179 3.941 4.120 -0.001 0.000 0.256 119 V C 2.270 178.322 176.094 -0.070 0.000 1.082 119 V CA 1.222 63.505 62.300 -0.029 0.000 1.101 119 V CB -1.030 30.695 31.823 -0.164 0.000 0.693 119 V HN 0.018 nan 8.190 nan 0.000 0.479 120 L N -0.700 120.453 121.223 -0.117 0.000 2.191 120 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 120 L C 2.228 179.103 176.870 0.007 0.000 1.103 120 L CA 1.659 56.424 54.840 -0.125 0.000 0.769 120 L CB -0.719 41.209 42.059 -0.219 0.000 0.908 120 L HN 0.476 nan 8.230 nan 0.000 0.438 121 H N -0.804 118.306 119.070 0.066 0.000 2.545 121 H HA -0.085 4.471 4.556 -0.001 0.000 0.282 121 H C 1.691 177.038 175.328 0.032 0.000 1.020 121 H CA 0.612 56.681 56.048 0.036 0.000 1.243 121 H CB 0.226 29.995 29.762 0.012 0.000 1.377 121 H HN 0.359 nan 8.280 nan 0.000 0.581 122 Q N 0.069 119.947 119.800 0.130 0.000 2.282 122 Q HA 0.148 4.487 4.340 -0.001 0.000 0.206 122 Q C 0.632 176.688 176.000 0.092 0.000 0.878 122 Q CA 0.350 56.208 55.803 0.092 0.000 0.944 122 Q CB 1.136 29.915 28.738 0.068 0.000 1.100 122 Q HN 0.539 nan 8.270 nan 0.000 0.509 123 L N 0.780 122.079 121.223 0.126 0.000 3.122 123 L HA 0.300 4.639 4.340 -0.001 0.000 0.274 123 L C 0.126 177.145 176.870 0.248 0.000 1.222 123 L CA -0.170 54.766 54.840 0.160 0.000 1.028 123 L CB 0.406 42.538 42.059 0.123 0.000 1.386 123 L HN 0.032 nan 8.230 nan 0.000 0.578 124 L N 0.739 122.060 121.223 0.163 0.000 2.506 124 L HA 0.113 4.453 4.340 -0.001 0.000 0.281 124 L C 1.595 178.509 176.870 0.073 0.000 1.228 124 L CA 1.168 56.041 54.840 0.054 0.000 0.850 124 L CB 0.058 42.086 42.059 -0.052 0.000 1.110 124 L HN 0.475 nan 8.230 nan 0.000 0.496 125 G N 1.502 110.337 108.800 0.058 0.000 2.347 125 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.247 125 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.247 125 G C 0.426 175.380 174.900 0.090 0.000 1.037 125 G CA 0.130 45.266 45.100 0.059 0.000 0.622 125 G HN 0.638 nan 8.290 nan 0.000 0.521 126 Q N 0.474 120.348 119.800 0.123 0.000 2.396 126 Q HA 0.508 4.848 4.340 -0.001 0.000 0.221 126 Q C -0.116 175.953 176.000 0.116 0.000 1.025 126 Q CA 0.467 56.338 55.803 0.113 0.000 0.946 126 Q CB 0.528 29.338 28.738 0.120 0.000 1.224 126 Q HN 0.213 nan 8.270 nan 0.000 0.539 127 T N 2.135 116.743 114.554 0.090 0.000 2.738 127 T HA 0.343 4.693 4.350 -0.001 0.000 0.298 127 T C -0.258 174.486 174.700 0.074 0.000 0.962 127 T CA -0.377 61.770 62.100 0.078 0.000 0.972 127 T CB 0.058 68.966 68.868 0.067 0.000 0.928 127 T HN 0.240 nan 8.240 nan 0.000 0.474 128 L N 4.517 125.763 121.223 0.038 0.000 2.334 128 L HA 0.568 4.907 4.340 -0.001 0.000 0.277 128 L C -0.154 176.756 176.870 0.066 0.000 1.075 128 L CA -0.760 54.092 54.840 0.020 0.000 0.804 128 L CB 1.114 43.055 42.059 -0.197 0.000 1.174 128 L HN 0.540 nan 8.230 nan 0.000 0.438 129 I N 2.027 122.682 120.570 0.142 0.000 2.410 129 I HA 0.311 4.481 4.170 -0.001 0.000 0.286 129 I C 0.347 176.580 176.117 0.194 0.000 1.009 129 I CA -0.197 61.203 61.300 0.166 0.000 1.111 129 I CB 1.952 40.101 38.000 0.249 0.000 1.262 129 I HN 0.635 nan 8.210 nan 0.000 0.443 130 T N 0.602 115.232 114.554 0.127 0.000 0.000 130 T HA 0.648 4.998 4.350 -0.001 0.000 0.000 130 T C 0.340 175.098 174.700 0.096 0.000 0.000 130 T CA -0.531 61.645 62.100 0.126 0.000 0.000 130 T CB 1.737 70.636 68.868 0.051 0.000 0.000 130 T HN 0.568 nan 8.240 nan 0.000 0.000 131 T N -1.159 113.445 114.554 0.083 0.000 2.833 131 T HA 0.335 4.684 4.350 -0.001 0.000 0.292 131 T C 0.421 175.140 174.700 0.032 0.000 1.031 131 T CA 0.084 62.214 62.100 0.050 0.000 0.937 131 T CB 0.257 69.149 68.868 0.040 0.000 1.256 131 T HN 0.790 nan 8.240 nan 0.000 0.551 132 D N -2.155 118.256 120.400 0.019 0.000 2.424 132 D HA 0.255 4.894 4.640 -0.001 0.000 0.220 132 D C 1.486 177.792 176.300 0.010 0.000 1.150 132 D CA 0.245 54.254 54.000 0.015 0.000 0.831 132 D CB -0.600 40.206 40.800 0.010 0.000 0.981 132 D HN 1.105 nan 8.370 nan 0.000 0.500 133 G N 1.119 109.920 108.800 0.002 0.000 2.267 133 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.257 133 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.257 133 G C 1.173 176.059 174.900 -0.023 0.000 0.998 133 G CA 0.474 45.562 45.100 -0.019 0.000 0.620 133 G HN 0.451 nan 8.290 nan 0.000 0.529 134 K N 0.685 121.081 120.400 -0.007 0.000 2.379 134 K HA 0.231 4.550 4.320 -0.001 0.000 0.194 134 K C 1.251 177.851 176.600 -0.001 0.000 1.031 134 K CA 1.232 57.517 56.287 -0.004 0.000 1.037 134 K CB 0.346 32.847 32.500 0.002 0.000 0.824 134 K HN 0.681 nan 8.250 nan 0.000 0.516 135 T N -3.255 111.299 114.554 0.001 0.000 2.778 135 T HA 0.376 4.726 4.350 -0.001 0.000 0.293 135 T C -0.085 174.628 174.700 0.022 0.000 1.144 135 T CA -0.951 61.156 62.100 0.011 0.000 1.010 135 T CB 0.951 69.826 68.868 0.012 0.000 1.325 135 T HN -0.132 nan 8.240 nan 0.000 0.515 136 L N 0.614 121.861 121.223 0.041 0.000 2.474 136 L HA 0.249 4.588 4.340 -0.001 0.000 0.259 136 L C 1.230 178.140 176.870 0.066 0.000 1.232 136 L CA -0.420 54.461 54.840 0.069 0.000 0.821 136 L CB 0.538 42.649 42.059 0.087 0.000 1.108 136 L HN 0.707 nan 8.230 nan 0.000 0.495 137 L N 0.755 122.037 121.223 0.098 0.000 2.269 137 L HA 0.302 4.641 4.340 -0.001 0.000 0.200 137 L C 1.196 178.120 176.870 0.090 0.000 1.069 137 L CA 1.641 56.542 54.840 0.101 0.000 0.804 137 L CB -0.065 42.097 42.059 0.170 0.000 0.987 137 L HN 0.843 nan 8.230 nan 0.000 0.468 138 G N -1.565 107.310 108.800 0.125 0.000 2.144 138 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 138 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 138 G C 1.170 176.177 174.900 0.178 0.000 0.988 138 G CA 0.596 45.758 45.100 0.104 0.000 0.659 138 G HN 0.787 nan 8.290 nan 0.000 0.522 139 A N -0.029 122.957 122.820 0.277 0.000 1.948 139 A HA 0.048 4.367 4.320 -0.001 0.000 0.220 139 A C 1.366 178.923 177.584 -0.045 0.000 1.177 139 A CA 2.096 54.290 52.037 0.262 0.000 0.636 139 A CB -0.207 18.941 19.000 0.247 0.000 0.815 139 A HN 0.653 nan 8.150 nan 0.000 0.449 140 D N -0.149 120.083 120.400 -0.280 0.000 2.393 140 D HA 0.319 4.958 4.640 -0.001 0.000 0.232 140 D C -0.839 175.348 176.300 -0.188 0.000 1.192 140 D CA -0.153 53.533 54.000 -0.523 0.000 0.882 140 D CB 0.626 40.834 40.800 -0.986 0.000 1.038 140 D HN 0.183 nan 8.370 nan 0.000 0.499 141 D N 2.623 122.855 120.400 -0.279 0.000 2.720 141 D HA 0.126 4.765 4.640 -0.001 0.000 0.285 141 D C 0.828 177.012 176.300 -0.193 0.000 1.359 141 D CA -0.119 53.636 54.000 -0.408 0.000 0.818 141 D CB 0.303 40.524 40.800 -0.965 0.000 1.108 141 D HN 0.225 nan 8.370 nan 0.000 0.474 142 K N -0.355 120.046 120.400 0.002 0.000 2.366 142 K HA 0.147 4.467 4.320 -0.001 0.000 0.198 142 K C 1.889 178.703 176.600 0.357 0.000 1.044 142 K CA 0.738 57.135 56.287 0.183 0.000 0.973 142 K CB 0.331 32.980 32.500 0.247 0.000 0.767 142 K HN 0.134 nan 8.250 nan 0.000 0.475 143 A N 1.117 124.035 122.820 0.163 0.000 1.930 143 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 143 A C 2.324 179.846 177.584 -0.103 0.000 1.175 143 A CA 1.792 53.699 52.037 -0.217 0.000 0.627 143 A CB -0.942 17.831 19.000 -0.377 0.000 0.815 143 A HN 0.392 nan 8.150 nan 0.000 0.443 144 G N 0.142 108.899 108.800 -0.071 0.000 2.394 144 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.214 144 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.214 144 G C 1.514 176.441 174.900 0.045 0.000 1.176 144 G CA 0.997 46.065 45.100 -0.054 0.000 0.786 144 G HN 0.463 nan 8.290 nan 0.000 0.533 145 I N 1.620 122.242 120.570 0.086 0.000 2.151 145 I HA -0.261 3.909 4.170 -0.001 0.000 0.243 145 I C 3.272 179.501 176.117 0.187 0.000 1.080 145 I CA 1.248 62.634 61.300 0.142 0.000 1.339 145 I CB -0.287 37.607 38.000 -0.177 0.000 1.039 145 I HN 0.242 nan 8.210 nan 0.000 0.409 146 A N 0.365 123.343 122.820 0.265 0.000 1.969 146 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 146 A C 2.180 179.820 177.584 0.095 0.000 1.169 146 A CA 1.615 53.817 52.037 0.275 0.000 0.635 146 A CB -0.506 18.642 19.000 0.248 0.000 0.810 146 A HN 0.462 nan 8.150 nan 0.000 0.445 147 E N -0.185 120.025 120.200 0.016 0.000 2.106 147 E HA -0.085 4.264 4.350 -0.001 0.000 0.192 147 E C 1.808 178.368 176.600 -0.066 0.000 0.984 147 E CA 1.100 57.465 56.400 -0.058 0.000 0.806 147 E CB -0.235 29.390 29.700 -0.124 0.000 0.750 147 E HN 0.699 nan 8.360 nan 0.000 0.458 148 I N 0.566 121.131 120.570 -0.009 0.000 2.163 148 I HA -0.268 3.902 4.170 -0.001 0.000 0.240 148 I C 2.301 178.426 176.117 0.013 0.000 1.081 148 I CA 0.762 62.045 61.300 -0.029 0.000 1.353 148 I CB -0.245 37.816 38.000 0.102 0.000 1.054 148 I HN 0.181 nan 8.210 nan 0.000 0.407 149 M N 0.158 119.828 119.600 0.116 0.000 2.108 149 M HA -0.179 4.300 4.480 -0.001 0.000 0.261 149 M C 2.410 178.730 176.300 0.032 0.000 1.066 149 M CA 1.976 57.339 55.300 0.105 0.000 1.107 149 M CB -1.690 31.001 32.600 0.151 0.000 1.356 149 M HN 0.250 nan 8.290 nan 0.000 0.406 150 T N 0.998 115.558 114.554 0.009 0.000 2.777 150 T HA -0.005 4.344 4.350 -0.001 0.000 0.266 150 T C 1.951 176.614 174.700 -0.061 0.000 1.040 150 T CA 1.461 63.548 62.100 -0.022 0.000 1.141 150 T CB -0.319 68.533 68.868 -0.027 0.000 0.868 150 T HN 0.482 nan 8.240 nan 0.000 0.444 151 A N 1.646 124.402 122.820 -0.107 0.000 1.883 151 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 151 A C 2.284 179.777 177.584 -0.153 0.000 1.186 151 A CA 1.339 53.276 52.037 -0.166 0.000 0.624 151 A CB -0.977 17.848 19.000 -0.291 0.000 0.822 151 A HN 0.489 nan 8.150 nan 0.000 0.444 152 L N -0.840 120.304 121.223 -0.131 0.000 2.081 152 L HA -0.251 4.089 4.340 -0.001 0.000 0.212 152 L C 3.054 179.884 176.870 -0.067 0.000 1.080 152 L CA 1.201 55.977 54.840 -0.107 0.000 0.754 152 L CB -0.626 41.404 42.059 -0.047 0.000 0.893 152 L HN 0.459 nan 8.230 nan 0.000 0.433 153 A N -0.482 122.313 122.820 -0.041 0.000 1.898 153 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 153 A C 2.356 179.925 177.584 -0.025 0.000 1.181 153 A CA 1.486 53.511 52.037 -0.021 0.000 0.620 153 A CB -0.705 18.288 19.000 -0.011 0.000 0.819 153 A HN 0.163 nan 8.150 nan 0.000 0.442 154 V N 0.224 120.113 119.914 -0.041 0.000 2.307 154 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 154 V C 2.552 178.630 176.094 -0.026 0.000 1.045 154 V CA 1.885 64.165 62.300 -0.034 0.000 1.024 154 V CB -0.772 31.023 31.823 -0.047 0.000 0.651 154 V HN 0.579 nan 8.190 nan 0.000 0.449 155 L N -0.546 120.644 121.223 -0.056 0.000 2.089 155 L HA -0.317 4.022 4.340 -0.001 0.000 0.213 155 L C 2.624 179.521 176.870 0.045 0.000 1.079 155 L CA 1.850 56.667 54.840 -0.037 0.000 0.758 155 L CB -0.462 41.473 42.059 -0.206 0.000 0.891 155 L HN 0.460 nan 8.230 nan 0.000 0.433 156 Q N -1.297 118.517 119.800 0.024 0.000 2.107 156 Q HA -0.141 4.199 4.340 -0.001 0.000 0.195 156 Q C 2.572 178.591 176.000 0.033 0.000 0.964 156 Q CA 1.241 57.075 55.803 0.050 0.000 0.833 156 Q CB -0.213 28.546 28.738 0.035 0.000 0.910 156 Q HN 0.611 nan 8.270 nan 0.000 0.465 157 Q N 1.740 121.549 119.800 0.016 0.000 2.170 157 Q HA -0.147 4.193 4.340 -0.001 0.000 0.203 157 Q C 1.518 177.526 176.000 0.013 0.000 0.976 157 Q CA 1.713 57.523 55.803 0.012 0.000 0.858 157 Q CB -0.475 28.266 28.738 0.004 0.000 0.907 157 Q HN 0.246 nan 8.270 nan 0.000 0.433 158 K N -0.954 119.455 120.400 0.015 0.000 2.358 158 K HA 0.274 4.593 4.320 -0.001 0.000 0.197 158 K C 0.516 177.131 176.600 0.024 0.000 1.025 158 K CA 0.448 56.745 56.287 0.016 0.000 1.104 158 K CB 0.528 33.035 32.500 0.011 0.000 0.855 158 K HN 0.451 nan 8.250 nan 0.000 0.531 159 K N 1.557 121.978 120.400 0.034 0.000 4.007 159 K HA -0.195 4.125 4.320 -0.001 0.000 0.279 159 K C -0.324 176.301 176.600 0.042 0.000 0.919 159 K CA 0.968 57.278 56.287 0.038 0.000 0.800 159 K CB -2.836 29.675 32.500 0.018 0.000 1.572 159 K HN 0.295 nan 8.250 nan 0.000 0.443 160 I N 2.553 123.172 120.570 0.080 0.000 2.331 160 I HA 0.293 4.463 4.170 -0.001 0.000 0.292 160 I C -1.670 174.517 176.117 0.117 0.000 0.998 160 I CA -2.492 58.858 61.300 0.084 0.000 1.267 160 I CB 1.916 39.962 38.000 0.077 0.000 1.386 160 I HN 0.302 nan 8.210 nan 0.000 0.476 161 P HA 0.007 nan 4.420 nan 0.000 0.264 161 P C -1.125 176.204 177.300 0.049 0.000 1.193 161 P CA 0.640 63.727 63.100 -0.021 0.000 0.763 161 P CB 0.193 31.886 31.700 -0.013 0.000 0.810 162 H N 0.434 119.501 119.070 -0.005 0.000 3.042 162 H HA 0.567 5.122 4.556 -0.001 0.000 0.346 162 H C -0.669 174.649 175.328 -0.017 0.000 1.294 162 H CA -1.001 55.043 56.048 -0.006 0.000 1.141 162 H CB 0.812 30.572 29.762 -0.004 0.000 1.872 162 H HN 0.461 nan 8.280 nan 0.000 0.541 163 G N 0.045 108.913 108.800 0.114 0.000 2.641 163 G HA2 0.168 4.127 3.960 -0.001 0.000 0.239 163 G HA3 0.168 4.127 3.960 -0.001 0.000 0.239 163 G C -0.661 174.318 174.900 0.131 0.000 1.402 163 G CA -0.614 44.510 45.100 0.039 0.000 1.046 163 G HN 0.599 nan 8.290 nan 0.000 0.565 164 D N 0.398 120.810 120.400 0.022 0.000 2.450 164 D HA 0.195 4.834 4.640 -0.001 0.000 0.247 164 D C 0.064 176.345 176.300 -0.031 0.000 1.162 164 D CA 0.424 54.423 54.000 -0.003 0.000 0.879 164 D CB 0.802 41.556 40.800 -0.075 0.000 1.163 164 D HN -0.097 nan 8.370 nan 0.000 0.472 165 I N 3.823 124.385 120.570 -0.013 0.000 2.354 165 I HA 0.188 4.358 4.170 -0.001 0.000 0.286 165 I C 0.333 176.409 176.117 -0.070 0.000 1.007 165 I CA -0.719 60.564 61.300 -0.029 0.000 1.167 165 I CB 0.697 38.672 38.000 -0.041 0.000 1.320 165 I HN 0.016 nan 8.210 nan 0.000 0.458 166 R N 5.449 125.851 120.500 -0.162 0.000 2.357 166 R HA 0.616 4.955 4.340 -0.001 0.000 0.296 166 R C -0.336 175.979 176.300 0.026 0.000 1.052 166 R CA -0.576 55.357 56.100 -0.280 0.000 0.988 166 R CB 1.767 31.492 30.300 -0.959 0.000 1.025 166 R HN 0.483 nan 8.270 nan 0.000 0.469 167 V N -1.543 118.435 119.914 0.107 0.000 2.823 167 V HA 0.999 5.119 4.120 -0.001 0.000 0.312 167 V C -0.521 175.622 176.094 0.083 0.000 1.072 167 V CA -1.100 61.258 62.300 0.096 0.000 0.937 167 V CB 2.072 33.870 31.823 -0.042 0.000 1.013 167 V HN 0.856 nan 8.190 nan 0.000 0.430 168 A N 2.975 125.650 122.820 -0.243 0.000 2.549 168 A HA 0.923 5.243 4.320 -0.001 0.000 0.297 168 A C -1.547 175.624 177.584 -0.688 0.000 1.061 168 A CA -0.494 51.358 52.037 -0.309 0.000 0.690 168 A CB 1.651 20.569 19.000 -0.138 0.000 1.287 168 A HN 0.967 nan 8.150 nan 0.000 0.402 169 F N 1.474 121.429 119.950 0.008 0.000 2.496 169 F HA 0.481 5.008 4.527 -0.001 0.000 0.341 169 F C 0.883 176.655 175.800 -0.045 0.000 1.134 169 F CA -0.333 57.649 58.000 -0.030 0.000 0.968 169 F CB 2.423 41.373 39.000 -0.083 0.000 1.205 169 F HN 0.606 nan 8.300 nan 0.000 0.436 170 T N 0.013 114.646 114.554 0.132 0.000 2.918 170 T HA 0.429 4.779 4.350 -0.001 0.000 0.283 170 T C -2.241 172.479 174.700 0.033 0.000 1.001 170 T CA -2.023 60.122 62.100 0.076 0.000 1.041 170 T CB 2.194 71.126 68.868 0.108 0.000 1.028 170 T HN 0.238 nan 8.240 nan 0.000 0.511 171 P HA 0.219 nan 4.420 nan 0.000 0.218 171 P C 0.299 177.556 177.300 -0.072 0.000 1.151 171 P CA 0.685 63.720 63.100 -0.107 0.000 0.850 171 P CB 0.302 31.875 31.700 -0.211 0.000 0.801 172 D N -0.519 119.845 120.400 -0.061 0.000 2.891 172 D HA 0.028 4.668 4.640 -0.001 0.000 0.312 172 D C 1.279 177.508 176.300 -0.119 0.000 1.354 172 D CA -0.123 53.832 54.000 -0.075 0.000 0.838 172 D CB 0.056 40.828 40.800 -0.046 0.000 1.117 172 D HN 0.002 nan 8.370 nan 0.000 0.473 173 E N 0.693 120.780 120.200 -0.189 0.000 2.085 173 E HA -0.170 4.180 4.350 -0.001 0.000 0.194 173 E C 0.862 177.269 176.600 -0.322 0.000 0.994 173 E CA 0.993 57.200 56.400 -0.322 0.000 0.801 173 E CB 0.430 29.739 29.700 -0.652 0.000 0.743 173 E HN 0.277 nan 8.360 nan 0.000 0.453 174 E N 0.128 120.141 120.200 -0.311 0.000 2.516 174 E HA -0.060 4.290 4.350 -0.001 0.000 0.199 174 E C 1.418 177.920 176.600 -0.163 0.000 1.069 174 E CA 0.553 56.809 56.400 -0.240 0.000 0.876 174 E CB 0.439 30.014 29.700 -0.209 0.000 0.843 174 E HN 0.259 nan 8.360 nan 0.000 0.530 175 V N -4.918 114.918 119.914 -0.130 0.000 3.199 175 V HA 0.548 4.667 4.120 -0.001 0.000 0.331 175 V C 1.011 177.060 176.094 -0.075 0.000 1.446 175 V CA 0.183 62.431 62.300 -0.087 0.000 1.120 175 V CB 0.348 32.134 31.823 -0.061 0.000 1.051 175 V HN 0.125 nan 8.190 nan 0.000 0.495 176 G N 1.726 110.467 108.800 -0.098 0.000 2.176 176 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.253 176 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.253 176 G C 0.670 175.521 174.900 -0.082 0.000 0.979 176 G CA 0.479 45.525 45.100 -0.089 0.000 0.641 176 G HN 0.549 nan 8.290 nan 0.000 0.530 177 K N 0.920 121.279 120.400 -0.070 0.000 2.374 177 K HA 0.260 4.579 4.320 -0.001 0.000 0.196 177 K C 2.282 178.858 176.600 -0.041 0.000 1.023 177 K CA 0.605 56.862 56.287 -0.049 0.000 1.103 177 K CB 0.257 32.754 32.500 -0.004 0.000 0.848 177 K HN 0.403 nan 8.250 nan 0.000 0.528 178 G N 1.798 110.558 108.800 -0.067 0.000 2.499 178 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.221 178 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.221 178 G C 1.295 176.190 174.900 -0.009 0.000 1.109 178 G CA 1.112 46.183 45.100 -0.049 0.000 0.749 178 G HN 0.403 nan 8.290 nan 0.000 0.568 179 A N -0.776 122.019 122.820 -0.043 0.000 2.508 179 A HA 0.475 4.794 4.320 -0.001 0.000 0.250 179 A C 1.751 179.326 177.584 -0.015 0.000 1.208 179 A CA 0.987 53.007 52.037 -0.028 0.000 0.960 179 A CB 0.103 19.026 19.000 -0.128 0.000 1.099 179 A HN 0.270 nan 8.150 nan 0.000 0.542 180 K N 0.385 120.732 120.400 -0.088 0.000 2.063 180 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 180 K C 0.700 177.086 176.600 -0.357 0.000 1.048 180 K CA 1.818 57.953 56.287 -0.255 0.000 0.928 180 K CB -0.215 32.062 32.500 -0.373 0.000 0.713 180 K HN 0.567 nan 8.250 nan 0.000 0.442 181 H N -1.233 117.869 119.070 0.054 0.000 2.490 181 H HA 0.107 4.663 4.556 -0.001 0.000 0.285 181 H C -1.048 174.309 175.328 0.049 0.000 1.127 181 H CA -0.523 55.550 56.048 0.042 0.000 0.993 181 H CB -0.381 29.389 29.762 0.014 0.000 1.653 181 H HN 0.062 nan 8.280 nan 0.000 0.557 182 F N 2.668 122.619 119.950 0.003 0.000 2.421 182 F HA 0.103 4.629 4.527 -0.001 0.000 0.358 182 F C 0.630 176.422 175.800 -0.013 0.000 1.115 182 F CA -0.840 57.136 58.000 -0.039 0.000 1.160 182 F CB 0.649 39.583 39.000 -0.110 0.000 1.123 182 F HN -0.012 nan 8.300 nan 0.000 0.508 183 D N 6.160 126.464 120.400 -0.160 0.000 2.435 183 D HA 0.058 4.698 4.640 -0.001 0.000 0.230 183 D C 1.125 177.470 176.300 0.076 0.000 1.215 183 D CA 0.185 54.169 54.000 -0.027 0.000 0.947 183 D CB 0.847 41.602 40.800 -0.075 0.000 1.048 183 D HN 0.420 nan 8.370 nan 0.000 0.512 184 V N 3.708 123.782 119.914 0.267 0.000 2.295 184 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 184 V C 1.770 178.009 176.094 0.241 0.000 1.049 184 V CA 1.601 64.107 62.300 0.343 0.000 1.024 184 V CB -0.223 31.746 31.823 0.242 0.000 0.648 184 V HN 0.485 nan 8.190 nan 0.000 0.447 185 D N 0.706 121.193 120.400 0.145 0.000 2.104 185 D HA -0.171 4.468 4.640 -0.001 0.000 0.194 185 D C 2.215 178.564 176.300 0.082 0.000 0.994 185 D CA 1.828 55.886 54.000 0.096 0.000 0.830 185 D CB -0.513 40.327 40.800 0.066 0.000 0.959 185 D HN 0.458 nan 8.370 nan 0.000 0.452 186 A N 0.425 123.289 122.820 0.073 0.000 1.902 186 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 186 A C 2.177 179.803 177.584 0.069 0.000 1.181 186 A CA 1.031 53.095 52.037 0.045 0.000 0.623 186 A CB -1.160 17.849 19.000 0.014 0.000 0.818 186 A HN 0.259 nan 8.150 nan 0.000 0.443 187 F N 0.469 120.386 119.950 -0.054 0.000 2.120 187 F HA -0.200 4.327 4.527 -0.001 0.000 0.300 187 F C 0.804 176.602 175.800 -0.003 0.000 1.095 187 F CA 1.807 59.790 58.000 -0.028 0.000 1.249 187 F CB 0.012 39.068 39.000 0.093 0.000 0.995 187 F HN 0.402 nan 8.300 nan 0.000 0.480 188 D N 0.230 120.644 120.400 0.022 0.000 2.812 188 D HA -0.184 4.455 4.640 -0.001 0.000 0.237 188 D C -0.854 175.311 176.300 -0.226 0.000 1.162 188 D CA 0.701 54.652 54.000 -0.081 0.000 0.740 188 D CB -1.000 39.749 40.800 -0.085 0.000 1.000 188 D HN 0.496 nan 8.370 nan 0.000 0.416 189 A N 1.571 124.284 122.820 -0.178 0.000 2.401 189 A HA 0.774 5.094 4.320 -0.001 0.000 0.310 189 A C 0.957 178.490 177.584 -0.086 0.000 1.075 189 A CA -0.604 51.289 52.037 -0.239 0.000 0.746 189 A CB 1.397 20.183 19.000 -0.355 0.000 1.277 189 A HN 0.190 nan 8.150 nan 0.000 0.425 190 R N -0.204 120.225 120.500 -0.117 0.000 2.100 190 R HA 0.127 4.466 4.340 -0.001 0.000 0.220 190 R C 0.016 176.410 176.300 0.157 0.000 1.091 190 R CA 1.881 57.999 56.100 0.030 0.000 0.986 190 R CB 0.052 30.414 30.300 0.103 0.000 0.888 190 R HN 0.825 nan 8.270 nan 0.000 0.444 191 W N -2.184 119.029 121.300 -0.146 0.000 3.042 191 W HA 0.777 5.437 4.660 -0.001 0.000 0.342 191 W C -1.666 174.697 176.519 -0.260 0.000 1.240 191 W CA -1.239 55.976 57.345 -0.216 0.000 1.166 191 W CB 0.729 30.023 29.460 -0.276 0.000 1.469 191 W HN -0.128 nan 8.180 nan 0.000 0.579 192 A N 0.683 123.356 122.820 -0.244 0.000 2.552 192 A HA 0.901 5.221 4.320 -0.001 0.000 0.288 192 A C -2.445 174.783 177.584 -0.595 0.000 1.193 192 A CA -1.016 50.788 52.037 -0.388 0.000 0.713 192 A CB 1.331 20.261 19.000 -0.116 0.000 1.305 192 A HN 0.886 nan 8.150 nan 0.000 0.424 193 Y N -0.368 119.788 120.300 -0.239 0.000 2.470 193 Y HA 0.497 5.047 4.550 -0.001 0.000 0.341 193 Y C 0.497 176.364 175.900 -0.055 0.000 1.021 193 Y CA -0.390 57.653 58.100 -0.094 0.000 1.025 193 Y CB 2.224 40.655 38.460 -0.048 0.000 1.266 193 Y HN 0.725 nan 8.280 nan 0.000 0.448 194 T N -0.794 113.827 114.554 0.111 0.000 2.869 194 T HA 0.463 4.813 4.350 -0.001 0.000 0.295 194 T C -0.299 174.465 174.700 0.106 0.000 0.987 194 T CA -0.722 61.422 62.100 0.073 0.000 1.109 194 T CB 0.906 69.789 68.868 0.025 0.000 0.932 194 T HN 0.369 nan 8.240 nan 0.000 0.518 195 V N 3.381 123.341 119.914 0.076 0.000 2.221 195 V HA 0.329 4.449 4.120 -0.001 0.000 0.258 195 V C 0.275 176.354 176.094 -0.026 0.000 1.179 195 V CA -0.188 62.120 62.300 0.013 0.000 1.022 195 V CB -0.249 31.571 31.823 -0.005 0.000 1.228 195 V HN 1.070 nan 8.190 nan 0.000 0.487 196 D N 2.095 122.494 120.400 -0.002 0.000 2.704 196 D HA 0.235 4.874 4.640 -0.001 0.000 0.291 196 D C 0.830 177.152 176.300 0.036 0.000 1.610 196 D CA 0.323 54.318 54.000 -0.009 0.000 0.807 196 D CB 0.554 41.385 40.800 0.052 0.000 1.233 196 D HN 0.482 nan 8.370 nan 0.000 0.445 197 G N -1.071 107.767 108.800 0.065 0.000 2.509 197 G HA2 0.573 4.533 3.960 -0.001 0.000 0.269 197 G HA3 0.573 4.533 3.960 -0.001 0.000 0.269 197 G C 0.634 175.631 174.900 0.162 0.000 1.416 197 G CA -0.035 45.139 45.100 0.123 0.000 1.052 197 G HN 0.177 nan 8.290 nan 0.000 0.542 198 G N -1.177 107.681 108.800 0.096 0.000 3.306 198 G HA2 0.511 4.471 3.960 -0.001 0.000 0.202 198 G HA3 0.511 4.471 3.960 -0.001 0.000 0.202 198 G C 0.630 175.391 174.900 -0.232 0.000 1.673 198 G CA 0.202 45.237 45.100 -0.109 0.000 0.776 198 G HN 0.981 nan 8.290 nan 0.000 0.740 199 G N -0.495 108.050 108.800 -0.426 0.000 2.491 199 G HA2 0.395 4.354 3.960 -0.001 0.000 0.238 199 G HA3 0.395 4.354 3.960 -0.001 0.000 0.238 199 G C 0.267 175.016 174.900 -0.252 0.000 1.277 199 G CA -0.179 44.681 45.100 -0.400 0.000 0.851 199 G HN 0.652 nan 8.290 nan 0.000 0.573 200 V N 2.041 121.777 119.914 -0.297 0.000 2.678 200 V HA 0.281 4.401 4.120 -0.001 0.000 0.304 200 V C 1.765 177.340 176.094 -0.864 0.000 1.086 200 V CA 1.986 63.810 62.300 -0.793 0.000 1.246 200 V CB 0.037 31.640 31.823 -0.367 0.000 0.861 200 V HN 1.902 nan 8.190 nan 0.000 0.491 201 G N 3.179 111.067 108.800 -1.520 0.000 2.232 201 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.226 201 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.226 201 G C 0.140 174.903 174.900 -0.227 0.000 0.996 201 G CA 0.139 44.861 45.100 -0.629 0.000 0.626 201 G HN 0.698 nan 8.290 nan 0.000 0.509 202 E N 0.381 120.496 120.200 -0.141 0.000 2.366 202 E HA 0.427 4.777 4.350 -0.001 0.000 0.266 202 E C -0.691 176.046 176.600 0.228 0.000 1.015 202 E CA -0.211 56.238 56.400 0.082 0.000 0.906 202 E CB 0.652 30.405 29.700 0.089 0.000 0.979 202 E HN 0.276 nan 8.360 nan 0.000 0.443 203 L N 4.096 125.429 121.223 0.184 0.000 2.408 203 L HA 0.371 4.711 4.340 -0.001 0.000 0.268 203 L C -1.411 175.600 176.870 0.236 0.000 0.986 203 L CA -0.359 54.615 54.840 0.223 0.000 0.820 203 L CB 1.974 44.158 42.059 0.208 0.000 1.303 203 L HN 0.479 nan 8.230 nan 0.000 0.411 204 E N 4.916 125.264 120.200 0.247 0.000 2.260 204 E HA 0.352 4.702 4.350 -0.001 0.000 0.266 204 E C -1.010 175.757 176.600 0.279 0.000 0.887 204 E CA -0.226 56.301 56.400 0.211 0.000 0.777 204 E CB 1.526 31.283 29.700 0.095 0.000 1.205 204 E HN 0.570 nan 8.360 nan 0.000 0.414 205 F N -0.304 119.680 119.950 0.057 0.000 2.856 205 F HA 0.434 4.960 4.527 -0.001 0.000 0.338 205 F C -0.163 175.676 175.800 0.065 0.000 1.100 205 F CA -0.544 57.483 58.000 0.045 0.000 1.150 205 F CB 0.541 39.557 39.000 0.028 0.000 1.101 205 F HN 0.130 nan 8.300 nan 0.000 0.548 206 E N 2.716 122.689 120.200 -0.378 0.000 2.234 206 E HA 0.363 4.712 4.350 -0.001 0.000 0.266 206 E C -0.866 175.778 176.600 0.073 0.000 0.877 206 E CA -0.917 55.355 56.400 -0.213 0.000 0.758 206 E CB 1.803 31.269 29.700 -0.390 0.000 1.170 206 E HN 0.355 nan 8.360 nan 0.000 0.415 207 N N 2.369 121.192 118.700 0.204 0.000 2.571 207 N HA 0.343 5.082 4.740 -0.001 0.000 0.273 207 N C -0.809 174.673 175.510 -0.047 0.000 1.340 207 N CA -0.776 52.367 53.050 0.155 0.000 0.789 207 N CB 1.055 39.578 38.487 0.060 0.000 1.514 207 N HN 0.260 nan 8.380 nan 0.000 0.499 208 F N 0.431 120.144 119.950 -0.396 0.000 2.553 208 F HA 0.056 4.582 4.527 -0.001 0.000 0.356 208 F C 1.235 176.811 175.800 -0.373 0.000 1.142 208 F CA -0.297 57.287 58.000 -0.693 0.000 1.322 208 F CB 0.504 39.163 39.000 -0.569 0.000 1.126 208 F HN 0.223 nan 8.300 nan 0.000 0.599 209 N N 1.979 120.470 118.700 -0.348 0.000 2.514 209 N HA 0.458 5.198 4.740 -0.001 0.000 0.277 209 N C -0.809 174.099 175.510 -1.004 0.000 1.126 209 N CA -0.151 52.423 53.050 -0.794 0.000 0.978 209 N CB 1.628 39.293 38.487 -1.370 0.000 1.106 209 N HN 0.568 nan 8.380 nan 0.000 0.461 210 A N 0.786 122.936 122.820 -1.116 0.000 2.371 210 A HA 0.842 5.161 4.320 -0.001 0.000 0.311 210 A C -1.051 176.286 177.584 -0.413 0.000 1.068 210 A CA -0.621 50.884 52.037 -0.887 0.000 0.744 210 A CB 1.424 19.472 19.000 -1.586 0.000 1.239 210 A HN 0.674 nan 8.150 nan 0.000 0.435 211 A N 1.098 123.870 122.820 -0.079 0.000 2.520 211 A HA 0.791 5.111 4.320 -0.001 0.000 0.298 211 A C -0.145 177.429 177.584 -0.018 0.000 1.051 211 A CA 0.102 52.137 52.037 -0.004 0.000 0.690 211 A CB 1.163 20.224 19.000 0.103 0.000 1.281 211 A HN 2.072 nan 8.150 nan 0.000 0.402 212 S N 0.465 116.162 115.700 -0.005 0.000 2.554 212 S HA 0.684 5.154 4.470 -0.001 0.000 0.278 212 S C -0.484 174.153 174.600 0.062 0.000 1.242 212 S CA -0.546 57.683 58.200 0.049 0.000 1.051 212 S CB 1.291 64.522 63.200 0.051 0.000 0.986 212 S HN 1.123 nan 8.310 nan 0.000 0.502 213 V N 3.529 123.515 119.914 0.119 0.000 2.350 213 V HA 0.422 4.541 4.120 -0.001 0.000 0.285 213 V C -0.791 175.398 176.094 0.158 0.000 1.014 213 V CA -0.866 61.498 62.300 0.107 0.000 0.831 213 V CB 0.963 32.835 31.823 0.082 0.000 1.000 213 V HN 0.879 nan 8.190 nan 0.000 0.433 214 N N 5.327 124.093 118.700 0.111 0.000 2.444 214 N HA 0.551 5.290 4.740 -0.001 0.000 0.262 214 N C -0.690 174.860 175.510 0.068 0.000 0.974 214 N CA -0.266 52.851 53.050 0.111 0.000 0.933 214 N CB 2.166 40.730 38.487 0.128 0.000 1.137 214 N HN 0.559 nan 8.380 nan 0.000 0.498 215 I N 1.313 121.914 120.570 0.052 0.000 2.321 215 I HA 0.236 4.405 4.170 -0.001 0.000 0.291 215 I C 0.593 176.707 176.117 -0.006 0.000 0.998 215 I CA -0.646 60.673 61.300 0.032 0.000 1.227 215 I CB 1.258 39.294 38.000 0.060 0.000 1.368 215 I HN 0.139 nan 8.210 nan 0.000 0.466 216 K N 8.044 128.452 120.400 0.014 0.000 2.235 216 K HA 0.603 4.923 4.320 -0.001 0.000 0.266 216 K C -1.250 175.328 176.600 -0.037 0.000 0.980 216 K CA -0.503 55.783 56.287 -0.002 0.000 0.849 216 K CB 1.184 33.713 32.500 0.047 0.000 1.098 216 K HN 0.587 nan 8.250 nan 0.000 0.445 217 I N 4.580 125.096 120.570 -0.090 0.000 2.382 217 I HA 0.201 4.371 4.170 -0.001 0.000 0.286 217 I C -0.729 175.257 176.117 -0.219 0.000 1.002 217 I CA -1.091 60.123 61.300 -0.143 0.000 1.135 217 I CB 1.993 39.936 38.000 -0.095 0.000 1.288 217 I HN 0.229 nan 8.210 nan 0.000 0.448 218 V N 6.181 125.852 119.914 -0.405 0.000 2.333 218 V HA 0.528 4.648 4.120 -0.001 0.000 0.274 218 V C 0.787 176.708 176.094 -0.289 0.000 1.028 218 V CA -0.201 61.844 62.300 -0.426 0.000 0.851 218 V CB 0.912 32.249 31.823 -0.811 0.000 1.000 218 V HN 0.923 nan 8.190 nan 0.000 0.456 219 G N 3.701 112.403 108.800 -0.163 0.000 2.695 219 G HA2 0.420 4.380 3.960 -0.001 0.000 0.213 219 G HA3 0.420 4.380 3.960 -0.001 0.000 0.213 219 G C -0.562 174.299 174.900 -0.064 0.000 1.406 219 G CA -0.508 44.532 45.100 -0.099 0.000 1.049 219 G HN 0.646 nan 8.290 nan 0.000 0.573 220 N N -0.785 117.895 118.700 -0.034 0.000 2.572 220 N HA 0.193 4.932 4.740 -0.001 0.000 0.287 220 N C -1.703 173.803 175.510 -0.006 0.000 1.136 220 N CA -0.594 52.449 53.050 -0.012 0.000 0.900 220 N CB 1.485 39.978 38.487 0.010 0.000 1.484 220 N HN 0.364 nan 8.380 nan 0.000 0.526 221 N N 2.324 121.021 118.700 -0.004 0.000 2.430 221 N HA 0.672 5.412 4.740 -0.001 0.000 0.292 221 N C -0.989 174.531 175.510 0.015 0.000 1.051 221 N CA -0.328 52.723 53.050 0.002 0.000 0.917 221 N CB 1.236 39.723 38.487 0.000 0.000 1.164 221 N HN 0.325 nan 8.380 nan 0.000 0.484 222 V N -0.154 119.774 119.914 0.022 0.000 3.182 222 V HA 0.457 4.576 4.120 -0.001 0.000 0.308 222 V C -0.118 176.020 176.094 0.073 0.000 1.240 222 V CA -1.107 61.220 62.300 0.046 0.000 1.063 222 V CB 1.182 33.028 31.823 0.037 0.000 1.076 222 V HN 0.815 nan 8.190 nan 0.000 0.446 223 H N 3.244 122.313 119.070 -0.003 0.000 3.107 223 H HA 0.132 4.688 4.556 -0.001 0.000 0.301 223 H C -1.562 173.764 175.328 -0.003 0.000 0.981 223 H CA -0.751 55.295 56.048 -0.003 0.000 1.443 223 H CB 1.714 31.474 29.762 -0.002 0.000 1.479 223 H HN 0.536 nan 8.280 nan 0.000 0.564 224 P HA -0.168 nan 4.420 nan 0.000 0.216 224 P C 1.539 178.640 177.300 -0.332 0.000 1.150 224 P CA 1.625 64.568 63.100 -0.263 0.000 0.843 224 P CB -0.184 31.395 31.700 -0.202 0.000 0.787 225 G N -0.102 108.304 108.800 -0.656 0.000 2.469 225 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.220 225 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.220 225 G C 1.135 175.949 174.900 -0.143 0.000 1.136 225 G CA 1.734 46.614 45.100 -0.367 0.000 0.759 225 G HN 0.444 nan 8.290 nan 0.000 0.562 226 T N -2.210 112.287 114.554 -0.095 0.000 3.215 226 T HA 0.635 4.985 4.350 -0.001 0.000 0.271 226 T C 1.832 176.523 174.700 -0.014 0.000 1.012 226 T CA 0.633 62.729 62.100 -0.007 0.000 0.899 226 T CB 1.047 69.950 68.868 0.057 0.000 1.089 226 T HN 0.257 nan 8.240 nan 0.000 0.552 227 A N 1.497 124.290 122.820 -0.045 0.000 2.066 227 A HA 0.129 4.449 4.320 -0.001 0.000 0.218 227 A C 1.319 178.895 177.584 -0.013 0.000 1.157 227 A CA 0.355 52.376 52.037 -0.028 0.000 0.670 227 A CB -0.387 18.586 19.000 -0.046 0.000 0.804 227 A HN 0.559 nan 8.150 nan 0.000 0.453 228 K N -0.038 120.353 120.400 -0.014 0.000 2.491 228 K HA 0.226 4.546 4.320 -0.001 0.000 0.279 228 K C 1.164 177.768 176.600 0.007 0.000 1.026 228 K CA 0.837 57.121 56.287 -0.005 0.000 1.070 228 K CB -0.282 32.214 32.500 -0.007 0.000 0.887 228 K HN 0.706 nan 8.250 nan 0.000 0.481 229 G N 2.154 110.963 108.800 0.014 0.000 2.212 229 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.266 229 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.266 229 G C 0.506 175.434 174.900 0.048 0.000 0.978 229 G CA 0.441 45.561 45.100 0.033 0.000 0.632 229 G HN 0.486 nan 8.290 nan 0.000 0.537 230 V N 0.445 120.379 119.914 0.032 0.000 2.948 230 V HA 0.431 4.551 4.120 -0.001 0.000 0.234 230 V C 1.502 177.615 176.094 0.033 0.000 1.205 230 V CA 1.281 63.602 62.300 0.035 0.000 1.234 230 V CB -0.063 31.773 31.823 0.021 0.000 1.020 230 V HN 0.510 nan 8.190 nan 0.000 0.491 231 M N 1.828 121.437 119.600 0.015 0.000 2.249 231 M HA 0.246 4.725 4.480 -0.001 0.000 0.340 231 M C -1.160 175.142 176.300 0.003 0.000 1.166 231 M CA 0.800 56.102 55.300 0.005 0.000 1.115 231 M CB 0.775 33.369 32.600 -0.010 0.000 1.606 231 M HN 0.079 nan 8.290 nan 0.000 0.448 232 V N 5.526 125.437 119.914 -0.004 0.000 2.419 232 V HA 0.277 4.397 4.120 -0.001 0.000 0.287 232 V C -0.348 175.728 176.094 -0.029 0.000 1.017 232 V CA -0.989 61.302 62.300 -0.016 0.000 0.844 232 V CB 1.318 33.133 31.823 -0.013 0.000 1.011 232 V HN 0.861 nan 8.190 nan 0.000 0.429 233 N N 3.145 121.826 118.700 -0.031 0.000 2.401 233 N HA 0.284 5.024 4.740 -0.001 0.000 0.255 233 N C 1.104 176.588 175.510 -0.044 0.000 1.110 233 N CA 0.480 53.509 53.050 -0.035 0.000 0.949 233 N CB 1.999 40.467 38.487 -0.032 0.000 1.110 233 N HN 0.783 nan 8.380 nan 0.000 0.490 234 A N 4.699 127.487 122.820 -0.053 0.000 1.940 234 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 234 A C 2.111 179.663 177.584 -0.054 0.000 1.176 234 A CA 1.112 53.111 52.037 -0.064 0.000 0.631 234 A CB -0.365 18.590 19.000 -0.075 0.000 0.814 234 A HN 0.756 nan 8.150 nan 0.000 0.446 235 L N -0.775 120.419 121.223 -0.048 0.000 2.217 235 L HA -0.091 4.249 4.340 -0.001 0.000 0.211 235 L C 2.667 179.514 176.870 -0.039 0.000 1.107 235 L CA 1.065 55.878 54.840 -0.046 0.000 0.783 235 L CB -0.234 41.798 42.059 -0.044 0.000 0.919 235 L HN 0.312 nan 8.230 nan 0.000 0.442 236 S N -0.122 115.557 115.700 -0.035 0.000 2.387 236 S HA -0.023 4.447 4.470 -0.001 0.000 0.226 236 S C 1.933 176.518 174.600 -0.024 0.000 1.026 236 S CA 0.850 59.033 58.200 -0.028 0.000 0.972 236 S CB -0.043 63.140 63.200 -0.028 0.000 0.814 236 S HN 0.290 nan 8.310 nan 0.000 0.477 237 L N 0.973 122.178 121.223 -0.030 0.000 2.109 237 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 237 L C 2.727 179.589 176.870 -0.013 0.000 1.086 237 L CA 1.027 55.851 54.840 -0.027 0.000 0.760 237 L CB -0.603 41.432 42.059 -0.039 0.000 0.910 237 L HN 0.298 nan 8.230 nan 0.000 0.437 238 A N 0.196 123.007 122.820 -0.015 0.000 1.902 238 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 238 A C 2.522 180.126 177.584 0.034 0.000 1.181 238 A CA 1.692 53.733 52.037 0.006 0.000 0.623 238 A CB -0.659 18.325 19.000 -0.027 0.000 0.818 238 A HN 0.385 nan 8.150 nan 0.000 0.443 239 A N -0.498 122.327 122.820 0.009 0.000 1.972 239 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 239 A C 2.242 179.860 177.584 0.055 0.000 1.169 239 A CA 1.521 53.574 52.037 0.026 0.000 0.635 239 A CB -0.390 18.608 19.000 -0.003 0.000 0.810 239 A HN 0.549 nan 8.150 nan 0.000 0.446 240 R N -0.827 119.689 120.500 0.026 0.000 2.073 240 R HA 0.067 4.406 4.340 -0.001 0.000 0.229 240 R C 1.950 178.257 176.300 0.013 0.000 1.120 240 R CA 1.311 57.419 56.100 0.013 0.000 0.967 240 R CB -0.391 29.904 30.300 -0.008 0.000 0.862 240 R HN 0.542 nan 8.270 nan 0.000 0.436 241 I N -0.463 120.120 120.570 0.021 0.000 2.163 241 I HA -0.319 3.851 4.170 -0.001 0.000 0.243 241 I C 2.285 178.417 176.117 0.025 0.000 1.085 241 I CA 1.551 62.852 61.300 0.001 0.000 1.347 241 I CB -0.261 37.749 38.000 0.017 0.000 1.044 241 I HN 0.212 nan 8.210 nan 0.000 0.408 242 H N 0.579 119.663 119.070 0.024 0.000 2.421 242 H HA -0.077 4.478 4.556 -0.001 0.000 0.298 242 H C 2.109 177.440 175.328 0.005 0.000 1.087 242 H CA 1.398 57.482 56.048 0.061 0.000 1.330 242 H CB 0.090 29.889 29.762 0.062 0.000 1.388 242 H HN 0.330 nan 8.280 nan 0.000 0.526 243 A N 0.213 123.055 122.820 0.036 0.000 2.066 243 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 243 A C 2.064 179.600 177.584 -0.079 0.000 1.157 243 A CA 1.327 53.354 52.037 -0.018 0.000 0.670 243 A CB -0.029 18.976 19.000 0.009 0.000 0.804 243 A HN 0.377 nan 8.150 nan 0.000 0.453 244 E N -0.109 120.029 120.200 -0.103 0.000 2.230 244 E HA 0.050 4.399 4.350 -0.001 0.000 0.192 244 E C 0.246 176.717 176.600 -0.214 0.000 0.987 244 E CA 0.191 56.511 56.400 -0.134 0.000 0.841 244 E CB -0.217 29.408 29.700 -0.126 0.000 0.783 244 E HN 0.300 nan 8.360 nan 0.000 0.481 245 V N 4.306 124.044 119.914 -0.293 0.000 2.479 245 V HA 0.041 4.161 4.120 -0.001 0.000 0.281 245 V C -2.160 173.754 176.094 -0.299 0.000 1.031 245 V CA -1.185 60.850 62.300 -0.442 0.000 1.038 245 V CB 0.156 31.699 31.823 -0.467 0.000 0.981 245 V HN -0.006 nan 8.190 nan 0.000 0.478 246 P HA -0.006 nan 4.420 nan 0.000 0.255 246 P C 0.652 177.960 177.300 0.012 0.000 1.173 246 P CA 0.449 63.521 63.100 -0.047 0.000 0.780 246 P CB 0.571 32.324 31.700 0.089 0.000 0.758 247 A N 4.796 127.611 122.820 -0.008 0.000 1.969 247 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 247 A C 1.776 179.397 177.584 0.060 0.000 1.169 247 A CA 1.646 53.688 52.037 0.009 0.000 0.635 247 A CB -0.692 18.308 19.000 -0.001 0.000 0.810 247 A HN 0.591 nan 8.150 nan 0.000 0.445 248 D N 0.116 120.559 120.400 0.072 0.000 2.269 248 D HA -0.117 4.523 4.640 -0.001 0.000 0.208 248 D C 0.335 176.710 176.300 0.126 0.000 0.963 248 D CA 0.684 54.735 54.000 0.086 0.000 0.864 248 D CB -0.418 40.428 40.800 0.076 0.000 0.936 248 D HN 0.573 nan 8.370 nan 0.000 0.505 249 E N 1.011 121.316 120.200 0.175 0.000 2.280 249 E HA 0.185 4.535 4.350 -0.001 0.000 0.279 249 E C -0.363 176.416 176.600 0.297 0.000 1.325 249 E CA -0.355 56.190 56.400 0.242 0.000 1.486 249 E CB 0.405 30.282 29.700 0.296 0.000 1.466 249 E HN 0.242 nan 8.360 nan 0.000 0.473 250 S N -0.941 114.876 115.700 0.195 0.000 2.599 250 S HA 0.427 4.897 4.470 -0.001 0.000 0.294 250 S C -2.278 172.254 174.600 -0.113 0.000 1.094 250 S CA -1.712 56.550 58.200 0.104 0.000 0.931 250 S CB 2.187 65.444 63.200 0.094 0.000 1.093 250 S HN -0.168 nan 8.310 nan 0.000 0.488 251 P HA -0.138 nan 4.420 nan 0.000 0.216 251 P C 0.739 177.904 177.300 -0.224 0.000 1.154 251 P CA 1.537 64.212 63.100 -0.708 0.000 0.865 251 P CB -0.103 31.053 31.700 -0.906 0.000 0.789 252 E N -1.667 118.466 120.200 -0.112 0.000 2.333 252 E HA -0.097 4.253 4.350 -0.001 0.000 0.198 252 E C 1.544 178.149 176.600 0.008 0.000 1.007 252 E CA 1.049 57.432 56.400 -0.027 0.000 0.845 252 E CB -0.508 29.196 29.700 0.007 0.000 0.766 252 E HN 0.269 nan 8.360 nan 0.000 0.507 253 M N -0.159 119.455 119.600 0.022 0.000 2.304 253 M HA 0.158 4.637 4.480 -0.001 0.000 0.281 253 M C 0.505 176.856 176.300 0.086 0.000 1.014 253 M CA 0.446 55.779 55.300 0.056 0.000 1.054 253 M CB 0.112 32.753 32.600 0.068 0.000 1.551 253 M HN 0.019 nan 8.290 nan 0.000 0.548 254 T N -0.688 113.928 114.554 0.104 0.000 2.936 254 T HA 0.742 5.091 4.350 -0.001 0.000 0.282 254 T C -0.330 174.475 174.700 0.175 0.000 1.003 254 T CA -0.574 61.635 62.100 0.181 0.000 1.005 254 T CB 2.973 72.029 68.868 0.315 0.000 1.097 254 T HN 0.255 nan 8.240 nan 0.000 0.532 255 E N -1.544 118.779 120.200 0.204 0.000 2.417 255 E HA 0.436 4.786 4.350 -0.001 0.000 0.280 255 E C 0.506 177.187 176.600 0.134 0.000 1.112 255 E CA -0.182 56.307 56.400 0.148 0.000 0.863 255 E CB 0.776 30.536 29.700 0.101 0.000 1.346 255 E HN 1.175 nan 8.360 nan 0.000 0.443 256 G N 0.912 109.735 108.800 0.038 0.000 2.660 256 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.321 256 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.321 256 G C 0.371 175.163 174.900 -0.181 0.000 1.246 256 G CA 1.119 46.166 45.100 -0.089 0.000 1.000 256 G HN 0.566 nan 8.290 nan 0.000 0.550 257 Y N 3.220 123.478 120.300 -0.070 0.000 2.466 257 Y HA 0.293 4.842 4.550 -0.001 0.000 0.272 257 Y C 1.694 177.768 175.900 0.289 0.000 1.169 257 Y CA 0.775 58.784 58.100 -0.152 0.000 1.285 257 Y CB 0.205 38.471 38.460 -0.325 0.000 1.078 257 Y HN 0.582 nan 8.280 nan 0.000 0.523 258 E N 0.620 121.058 120.200 0.397 0.000 2.338 258 E HA 0.390 4.740 4.350 -0.001 0.000 0.272 258 E C 0.411 177.296 176.600 0.475 0.000 1.029 258 E CA -0.298 56.328 56.400 0.377 0.000 0.872 258 E CB 1.357 31.214 29.700 0.260 0.000 1.015 258 E HN 0.209 nan 8.360 nan 0.000 0.417 259 G N 2.489 111.481 108.800 0.321 0.000 2.535 259 G HA2 0.563 4.523 3.960 -0.001 0.000 0.303 259 G HA3 0.563 4.523 3.960 -0.001 0.000 0.303 259 G C -0.814 174.088 174.900 0.004 0.000 1.237 259 G CA -0.788 44.345 45.100 0.054 0.000 0.986 259 G HN 0.656 nan 8.290 nan 0.000 0.494 260 F N -2.798 117.006 119.950 -0.243 0.000 2.713 260 F HA 0.656 5.182 4.527 -0.001 0.000 0.311 260 F C -1.903 173.718 175.800 -0.298 0.000 1.141 260 F CA -1.934 55.948 58.000 -0.198 0.000 0.939 260 F CB 1.211 40.195 39.000 -0.027 0.000 1.325 260 F HN 0.433 nan 8.300 nan 0.000 0.453 261 Y N 0.291 120.824 120.300 0.388 0.000 2.387 261 Y HA 0.605 5.155 4.550 -0.001 0.000 0.330 261 Y C -0.463 175.752 175.900 0.524 0.000 1.133 261 Y CA -0.652 57.660 58.100 0.352 0.000 1.152 261 Y CB 1.375 39.940 38.460 0.176 0.000 1.215 261 Y HN 0.823 nan 8.280 nan 0.000 0.466 262 H N 2.089 121.492 119.070 0.555 0.000 2.966 262 H HA 0.406 4.962 4.556 -0.001 0.000 0.347 262 H C -2.070 173.369 175.328 0.185 0.000 1.048 262 H CA -0.948 55.290 56.048 0.316 0.000 1.295 262 H CB 1.272 31.167 29.762 0.223 0.000 1.744 262 H HN 0.629 nan 8.280 nan 0.000 0.513 263 L N 5.405 126.313 121.223 -0.524 0.000 2.282 263 L HA 0.513 4.853 4.340 -0.001 0.000 0.287 263 L C 0.675 177.073 176.870 -0.787 0.000 1.075 263 L CA 0.501 54.887 54.840 -0.757 0.000 0.839 263 L CB -0.069 41.618 42.059 -0.620 0.000 1.219 263 L HN 0.894 nan 8.230 nan 0.000 0.434 264 A N 3.371 125.899 122.820 -0.487 0.000 1.930 264 A HA 0.250 4.569 4.320 -0.001 0.000 0.215 264 A C 0.848 178.380 177.584 -0.087 0.000 1.176 264 A CA 1.115 53.048 52.037 -0.174 0.000 0.632 264 A CB -0.264 18.790 19.000 0.091 0.000 0.819 264 A HN 0.806 nan 8.150 nan 0.000 0.445 265 S N -2.327 113.341 115.700 -0.052 0.000 2.567 265 S HA 0.640 5.110 4.470 -0.001 0.000 0.270 265 S C -0.759 173.903 174.600 0.105 0.000 1.152 265 S CA -0.097 58.135 58.200 0.053 0.000 0.835 265 S CB 1.041 64.300 63.200 0.099 0.000 1.115 265 S HN 1.370 nan 8.310 nan 0.000 0.459 266 M N 0.551 120.178 119.600 0.045 0.000 2.562 266 M HA 0.724 5.203 4.480 -0.001 0.000 0.281 266 M C -2.363 173.924 176.300 -0.022 0.000 1.195 266 M CA -0.437 54.820 55.300 -0.071 0.000 0.888 266 M CB 2.071 34.567 32.600 -0.173 0.000 1.731 266 M HN 0.873 nan 8.290 nan 0.000 0.493 267 K N 2.012 122.388 120.400 -0.039 0.000 2.550 267 K HA 0.831 5.151 4.320 -0.001 0.000 0.252 267 K C -1.625 174.953 176.600 -0.037 0.000 0.943 267 K CA -0.290 55.989 56.287 -0.013 0.000 0.806 267 K CB 2.466 34.989 32.500 0.038 0.000 1.289 267 K HN 1.155 nan 8.250 nan 0.000 0.435 268 G N 0.938 109.717 108.800 -0.035 0.000 2.523 268 G HA2 0.467 4.426 3.960 -0.001 0.000 0.291 268 G HA3 0.467 4.426 3.960 -0.001 0.000 0.291 268 G C -1.050 173.831 174.900 -0.032 0.000 1.450 268 G CA -0.302 44.775 45.100 -0.038 0.000 0.790 268 G HN 0.643 nan 8.290 nan 0.000 0.496 269 T N -3.102 111.433 114.554 -0.032 0.000 2.693 269 T HA 0.562 4.912 4.350 -0.001 0.000 0.278 269 T C 1.323 176.004 174.700 -0.033 0.000 0.994 269 T CA 0.327 62.411 62.100 -0.027 0.000 1.033 269 T CB 1.099 69.956 68.868 -0.019 0.000 1.342 269 T HN 0.802 nan 8.240 nan 0.000 0.538 270 V N 1.189 121.087 119.914 -0.027 0.000 2.332 270 V HA -0.124 3.996 4.120 -0.001 0.000 0.248 270 V C 2.830 178.902 176.094 -0.036 0.000 1.055 270 V CA 2.433 64.715 62.300 -0.030 0.000 1.038 270 V CB -1.059 30.752 31.823 -0.021 0.000 0.651 270 V HN 0.992 nan 8.190 nan 0.000 0.450 271 E N 0.608 120.789 120.200 -0.032 0.000 2.031 271 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 271 E C 1.398 177.962 176.600 -0.060 0.000 0.994 271 E CA 0.963 57.340 56.400 -0.038 0.000 0.800 271 E CB 0.222 29.908 29.700 -0.025 0.000 0.752 271 E HN 0.423 nan 8.360 nan 0.000 0.447 272 R N -0.515 119.953 120.500 -0.055 0.000 2.584 272 R HA 0.564 4.904 4.340 -0.001 0.000 0.276 272 R C -1.864 174.400 176.300 -0.060 0.000 1.046 272 R CA -0.135 55.924 56.100 -0.067 0.000 0.906 272 R CB 2.198 32.466 30.300 -0.053 0.000 1.215 272 R HN 0.116 nan 8.270 nan 0.000 0.449 273 A N 2.898 125.674 122.820 -0.073 0.000 2.435 273 A HA 0.615 4.934 4.320 -0.001 0.000 0.304 273 A C -1.688 175.843 177.584 -0.088 0.000 1.064 273 A CA -0.731 51.262 52.037 -0.074 0.000 0.727 273 A CB 1.861 20.817 19.000 -0.074 0.000 1.284 273 A HN 0.704 nan 8.150 nan 0.000 0.415 274 D N 1.098 121.426 120.400 -0.120 0.000 2.757 274 D HA 0.584 5.223 4.640 -0.001 0.000 0.249 274 D C -0.632 175.434 176.300 -0.389 0.000 1.168 274 D CA 0.013 53.895 54.000 -0.197 0.000 0.870 274 D CB 1.634 42.349 40.800 -0.142 0.000 1.411 274 D HN 0.506 nan 8.370 nan 0.000 0.525 275 M N 1.648 121.032 119.600 -0.359 0.000 2.364 275 M HA 0.424 4.903 4.480 -0.001 0.000 0.334 275 M C -0.960 175.069 176.300 -0.451 0.000 1.107 275 M CA -0.691 54.380 55.300 -0.381 0.000 0.988 275 M CB 1.615 34.176 32.600 -0.065 0.000 1.673 275 M HN 0.361 nan 8.290 nan 0.000 0.441 276 H N 1.852 120.874 119.070 -0.080 0.000 2.691 276 H HA 0.410 4.965 4.556 -0.001 0.000 0.281 276 H C -1.548 173.719 175.328 -0.102 0.000 1.121 276 H CA -0.387 55.640 56.048 -0.035 0.000 1.254 276 H CB 0.270 30.012 29.762 -0.033 0.000 1.390 276 H HN 0.490 nan 8.280 nan 0.000 0.491 277 Y N 2.310 122.668 120.300 0.097 0.000 2.403 277 Y HA 0.394 4.944 4.550 -0.001 0.000 0.323 277 Y C 0.672 176.646 175.900 0.123 0.000 1.226 277 Y CA -1.050 57.108 58.100 0.097 0.000 1.235 277 Y CB 1.201 39.711 38.460 0.083 0.000 1.248 277 Y HN 0.512 nan 8.280 nan 0.000 0.489 278 I N 0.095 120.873 120.570 0.347 0.000 2.730 278 I HA 0.642 4.811 4.170 -0.001 0.000 0.298 278 I C -1.435 174.798 176.117 0.193 0.000 1.089 278 I CA -0.919 60.520 61.300 0.231 0.000 1.041 278 I CB 2.327 40.453 38.000 0.210 0.000 1.235 278 I HN 0.401 nan 8.210 nan 0.000 0.423 279 I N 4.694 125.275 120.570 0.017 0.000 2.433 279 I HA 0.529 4.699 4.170 -0.001 0.000 0.292 279 I C -0.498 175.401 176.117 -0.362 0.000 1.001 279 I CA -0.690 60.535 61.300 -0.125 0.000 1.119 279 I CB 1.434 39.387 38.000 -0.078 0.000 1.289 279 I HN 0.524 nan 8.210 nan 0.000 0.438 280 R N 4.678 124.692 120.500 -0.811 0.000 2.561 280 R HA 0.546 4.886 4.340 -0.001 0.000 0.297 280 R C -1.451 174.194 176.300 -1.091 0.000 0.969 280 R CA -0.754 54.532 56.100 -1.356 0.000 0.879 280 R CB 2.279 30.969 30.300 -2.683 0.000 1.178 280 R HN 0.581 nan 8.270 nan 0.000 0.445 281 D N 1.737 121.755 120.400 -0.638 0.000 2.803 281 D HA 0.180 4.819 4.640 -0.001 0.000 0.218 281 D C 0.098 176.394 176.300 -0.007 0.000 1.245 281 D CA -0.395 53.512 54.000 -0.155 0.000 0.821 281 D CB 1.503 42.310 40.800 0.013 0.000 1.626 281 D HN 0.232 nan 8.370 nan 0.000 0.487 282 F N 0.329 120.443 119.950 0.273 0.000 2.367 282 F HA -0.019 4.508 4.527 -0.001 0.000 0.298 282 F C 1.425 177.281 175.800 0.093 0.000 1.094 282 F CA 0.360 58.459 58.000 0.164 0.000 1.409 282 F CB 0.304 39.406 39.000 0.169 0.000 1.064 282 F HN 0.214 nan 8.300 nan 0.000 0.528 283 D N -0.124 120.434 120.400 0.264 0.000 2.256 283 D HA 0.078 4.718 4.640 -0.001 0.000 0.250 283 D C 1.268 177.664 176.300 0.161 0.000 1.093 283 D CA -0.086 54.018 54.000 0.174 0.000 0.882 283 D CB 1.360 42.247 40.800 0.145 0.000 1.185 283 D HN -0.194 nan 8.370 nan 0.000 0.437 284 R N 3.185 123.768 120.500 0.138 0.000 2.075 284 R HA -0.025 4.315 4.340 -0.001 0.000 0.232 284 R C 1.705 178.122 176.300 0.195 0.000 1.126 284 R CA 1.620 57.823 56.100 0.171 0.000 0.963 284 R CB -0.060 30.305 30.300 0.109 0.000 0.858 284 R HN 0.453 nan 8.270 nan 0.000 0.435 285 K N -0.088 120.384 120.400 0.120 0.000 2.001 285 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 285 K C 2.019 178.666 176.600 0.079 0.000 1.048 285 K CA 1.184 57.520 56.287 0.082 0.000 0.932 285 K CB -0.135 32.397 32.500 0.054 0.000 0.715 285 K HN 0.159 nan 8.250 nan 0.000 0.437 286 Q N 0.397 120.253 119.800 0.094 0.000 2.181 286 Q HA -0.153 4.186 4.340 -0.001 0.000 0.205 286 Q C 1.926 177.970 176.000 0.074 0.000 0.980 286 Q CA 1.301 57.148 55.803 0.073 0.000 0.862 286 Q CB -0.373 28.415 28.738 0.082 0.000 0.905 286 Q HN 0.378 nan 8.270 nan 0.000 0.429 287 F N 2.185 122.108 119.950 -0.045 0.000 2.069 287 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 287 F C 2.030 177.789 175.800 -0.068 0.000 1.113 287 F CA 1.340 59.288 58.000 -0.086 0.000 1.214 287 F CB 0.235 39.202 39.000 -0.055 0.000 0.978 287 F HN 0.037 nan 8.300 nan 0.000 0.474 288 E N 0.868 120.970 120.200 -0.163 0.000 2.150 288 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 288 E C 2.375 178.877 176.600 -0.163 0.000 0.985 288 E CA 0.998 57.249 56.400 -0.249 0.000 0.814 288 E CB -0.779 28.861 29.700 -0.100 0.000 0.752 288 E HN 0.556 nan 8.360 nan 0.000 0.466 289 A N 1.941 124.713 122.820 -0.080 0.000 1.908 289 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 289 A C 2.203 179.768 177.584 -0.031 0.000 1.181 289 A CA 1.399 53.412 52.037 -0.039 0.000 0.627 289 A CB -0.464 18.535 19.000 -0.002 0.000 0.818 289 A HN 0.113 nan 8.150 nan 0.000 0.445 290 R N -0.311 120.147 120.500 -0.071 0.000 2.096 290 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 290 R C 2.135 178.433 176.300 -0.004 0.000 1.127 290 R CA 1.482 57.572 56.100 -0.017 0.000 0.968 290 R CB -0.273 29.862 30.300 -0.276 0.000 0.861 290 R HN 0.517 nan 8.270 nan 0.000 0.440 291 K N 0.301 120.593 120.400 -0.180 0.000 2.097 291 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 291 K C 2.165 178.702 176.600 -0.104 0.000 1.049 291 K CA 1.120 57.295 56.287 -0.186 0.000 0.933 291 K CB -0.073 32.244 32.500 -0.304 0.000 0.717 291 K HN 0.123 nan 8.250 nan 0.000 0.442 292 R N 0.824 121.273 120.500 -0.085 0.000 2.115 292 R HA -0.111 4.228 4.340 -0.001 0.000 0.230 292 R C 2.218 178.491 176.300 -0.045 0.000 1.111 292 R CA 1.164 57.229 56.100 -0.059 0.000 0.976 292 R CB -0.017 30.254 30.300 -0.047 0.000 0.870 292 R HN -0.047 nan 8.270 nan 0.000 0.445 293 K N 0.443 120.834 120.400 -0.016 0.000 2.097 293 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 293 K C 1.835 178.366 176.600 -0.114 0.000 1.050 293 K CA 1.310 57.575 56.287 -0.038 0.000 0.938 293 K CB 0.002 32.520 32.500 0.031 0.000 0.718 293 K HN -0.059 nan 8.250 nan 0.000 0.442 294 M N 0.177 119.711 119.600 -0.111 0.000 2.213 294 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 294 M C 2.024 178.242 176.300 -0.136 0.000 1.062 294 M CA 1.595 56.786 55.300 -0.181 0.000 1.105 294 M CB -0.775 31.727 32.600 -0.163 0.000 1.385 294 M HN 0.260 nan 8.290 nan 0.000 0.417 295 M N -1.056 118.487 119.600 -0.094 0.000 2.160 295 M HA -0.150 4.329 4.480 -0.001 0.000 0.264 295 M C 1.944 178.203 176.300 -0.068 0.000 1.073 295 M CA 1.311 56.568 55.300 -0.072 0.000 1.142 295 M CB -0.621 31.944 32.600 -0.059 0.000 1.358 295 M HN 0.250 nan 8.290 nan 0.000 0.422 296 E N 0.926 121.085 120.200 -0.069 0.000 2.097 296 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 296 E C 1.871 178.426 176.600 -0.074 0.000 1.000 296 E CA 1.355 57.718 56.400 -0.063 0.000 0.804 296 E CB -0.220 29.443 29.700 -0.060 0.000 0.740 296 E HN 0.483 nan 8.360 nan 0.000 0.454 297 I N 0.478 120.986 120.570 -0.104 0.000 2.202 297 I HA -0.233 3.937 4.170 -0.001 0.000 0.242 297 I C 2.438 178.503 176.117 -0.086 0.000 1.091 297 I CA 0.938 62.169 61.300 -0.114 0.000 1.368 297 I CB -0.183 37.710 38.000 -0.178 0.000 1.058 297 I HN 0.086 nan 8.210 nan 0.000 0.410 298 A N 0.124 122.895 122.820 -0.082 0.000 1.968 298 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 298 A C 2.354 179.917 177.584 -0.034 0.000 1.169 298 A CA 1.324 53.328 52.037 -0.054 0.000 0.638 298 A CB -0.387 18.585 19.000 -0.047 0.000 0.812 298 A HN 0.261 nan 8.150 nan 0.000 0.446 299 K N -0.088 120.290 120.400 -0.036 0.000 2.057 299 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 299 K C 2.194 178.777 176.600 -0.028 0.000 1.050 299 K CA 1.667 57.938 56.287 -0.026 0.000 0.935 299 K CB -0.122 32.361 32.500 -0.029 0.000 0.715 299 K HN 0.537 nan 8.250 nan 0.000 0.439 300 K N 0.432 120.811 120.400 -0.036 0.000 2.031 300 K HA -0.075 4.244 4.320 -0.001 0.000 0.205 300 K C 1.789 178.369 176.600 -0.035 0.000 1.049 300 K CA 1.115 57.380 56.287 -0.036 0.000 0.939 300 K CB 0.091 32.565 32.500 -0.043 0.000 0.717 300 K HN -0.076 nan 8.250 nan 0.000 0.438 301 V N 0.915 120.806 119.914 -0.037 0.000 2.667 301 V HA -0.089 4.031 4.120 -0.001 0.000 0.252 301 V C 2.278 178.354 176.094 -0.031 0.000 1.065 301 V CA 1.925 64.204 62.300 -0.034 0.000 1.083 301 V CB -0.274 31.529 31.823 -0.034 0.000 0.692 301 V HN 0.634 nan 8.190 nan 0.000 0.468 302 G N -0.484 108.302 108.800 -0.023 0.000 2.777 302 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.211 302 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.211 302 G C 0.858 175.747 174.900 -0.018 0.000 1.149 302 G CA 0.202 45.294 45.100 -0.013 0.000 0.785 302 G HN 0.366 nan 8.290 nan 0.000 0.536 303 K N 0.494 120.879 120.400 -0.025 0.000 2.447 303 K HA 0.426 4.745 4.320 -0.001 0.000 0.281 303 K C 1.386 177.961 176.600 -0.042 0.000 1.031 303 K CA 0.782 57.053 56.287 -0.027 0.000 1.019 303 K CB 0.081 32.566 32.500 -0.026 0.000 0.918 303 K HN 1.136 nan 8.250 nan 0.000 0.476 304 G N 2.797 111.568 108.800 -0.048 0.000 2.232 304 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.226 304 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.226 304 G C 0.133 174.945 174.900 -0.147 0.000 0.996 304 G CA 0.067 45.119 45.100 -0.081 0.000 0.626 304 G HN 0.650 nan 8.290 nan 0.000 0.509 305 L N 1.526 122.682 121.223 -0.111 0.000 2.461 305 L HA 0.382 4.721 4.340 -0.001 0.000 0.272 305 L C 1.094 177.907 176.870 -0.095 0.000 1.197 305 L CA -0.665 54.093 54.840 -0.136 0.000 0.836 305 L CB 0.362 42.396 42.059 -0.041 0.000 1.105 305 L HN 0.293 nan 8.230 nan 0.000 0.477 306 H N 3.474 122.558 119.070 0.023 0.000 2.732 306 H HA 0.046 4.601 4.556 -0.001 0.000 0.351 306 H C -1.336 174.022 175.328 0.049 0.000 1.090 306 H CA -1.383 54.681 56.048 0.027 0.000 1.431 306 H CB 0.446 30.220 29.762 0.020 0.000 1.447 306 H HN 0.438 nan 8.280 nan 0.000 0.582 307 P HA -0.215 nan 4.420 nan 0.000 0.221 307 P C 0.235 177.634 177.300 0.166 0.000 1.141 307 P CA 1.316 64.495 63.100 0.133 0.000 0.794 307 P CB 0.249 31.998 31.700 0.083 0.000 0.764 308 D N -1.457 119.037 120.400 0.157 0.000 2.269 308 D HA -0.042 4.597 4.640 -0.001 0.000 0.208 308 D C 0.367 176.760 176.300 0.154 0.000 0.963 308 D CA 0.717 54.804 54.000 0.145 0.000 0.864 308 D CB -0.036 40.820 40.800 0.093 0.000 0.936 308 D HN 0.209 nan 8.370 nan 0.000 0.505 309 C N 0.077 119.463 119.300 0.144 0.000 2.561 309 C HA 0.712 5.171 4.460 -0.001 0.000 0.319 309 C C -0.746 174.322 174.990 0.130 0.000 1.198 309 C CA -1.009 58.024 59.018 0.024 0.000 1.665 309 C CB 0.068 27.800 27.740 -0.014 0.000 2.258 309 C HN 0.340 nan 8.230 nan 0.000 0.493 310 Y N -0.808 119.492 120.300 -0.000 0.000 2.689 310 Y HA 0.821 5.371 4.550 -0.001 0.000 0.333 310 Y C -1.392 174.501 175.900 -0.011 0.000 1.208 310 Y CA -1.651 56.445 58.100 -0.007 0.000 1.055 310 Y CB 0.629 39.087 38.460 -0.003 0.000 1.304 310 Y HN 0.480 nan 8.280 nan 0.000 0.455 311 I N 1.680 122.364 120.570 0.191 0.000 2.418 311 I HA 0.376 4.545 4.170 -0.001 0.000 0.287 311 I C -1.101 175.113 176.117 0.161 0.000 1.008 311 I CA -0.560 60.802 61.300 0.104 0.000 1.104 311 I CB 2.048 40.067 38.000 0.032 0.000 1.264 311 I HN 0.698 nan 8.210 nan 0.000 0.438 312 E N 6.928 127.225 120.200 0.162 0.000 2.145 312 E HA 0.440 4.789 4.350 -0.001 0.000 0.262 312 E C -1.308 175.333 176.600 0.069 0.000 0.883 312 E CA -0.551 55.931 56.400 0.136 0.000 0.748 312 E CB 1.214 31.039 29.700 0.209 0.000 1.140 312 E HN 0.484 nan 8.360 nan 0.000 0.417 313 L N 4.302 125.548 121.223 0.037 0.000 2.334 313 L HA 0.474 4.813 4.340 -0.001 0.000 0.277 313 L C -0.587 176.294 176.870 0.018 0.000 1.075 313 L CA -0.792 54.059 54.840 0.018 0.000 0.804 313 L CB 1.568 43.622 42.059 -0.008 0.000 1.174 313 L HN 0.407 nan 8.230 nan 0.000 0.438 314 V N 5.092 125.020 119.914 0.024 0.000 2.447 314 V HA 0.414 4.533 4.120 -0.001 0.000 0.292 314 V C 0.069 176.173 176.094 0.016 0.000 1.021 314 V CA -0.389 61.924 62.300 0.021 0.000 0.850 314 V CB 1.999 33.842 31.823 0.033 0.000 1.005 314 V HN 0.511 nan 8.190 nan 0.000 0.426 315 I N 3.857 124.425 120.570 -0.003 0.000 2.437 315 I HA 0.608 4.778 4.170 -0.001 0.000 0.298 315 I C -0.059 176.053 176.117 -0.008 0.000 0.984 315 I CA -0.327 60.963 61.300 -0.016 0.000 1.214 315 I CB 1.781 39.748 38.000 -0.055 0.000 1.365 315 I HN 0.668 nan 8.210 nan 0.000 0.469 316 E N 4.447 124.643 120.200 -0.006 0.000 2.287 316 E HA 0.215 4.565 4.350 -0.001 0.000 0.274 316 E C -1.626 174.965 176.600 -0.016 0.000 0.896 316 E CA -0.722 55.676 56.400 -0.003 0.000 0.788 316 E CB 1.358 31.059 29.700 0.002 0.000 1.244 316 E HN 0.444 nan 8.360 nan 0.000 0.408 317 D N 2.312 122.707 120.400 -0.008 0.000 2.424 317 D HA 0.098 4.738 4.640 -0.001 0.000 0.244 317 D C 0.210 176.390 176.300 -0.200 0.000 1.134 317 D CA 0.260 54.215 54.000 -0.076 0.000 0.881 317 D CB 1.783 42.566 40.800 -0.028 0.000 1.191 317 D HN 0.319 nan 8.370 nan 0.000 0.445 318 S N 1.163 116.665 115.700 -0.330 0.000 2.502 318 S HA 0.127 4.597 4.470 -0.001 0.000 0.228 318 S C -0.074 174.363 174.600 -0.272 0.000 1.061 318 S CA 0.196 58.235 58.200 -0.269 0.000 0.935 318 S CB 0.273 63.314 63.200 -0.264 0.000 0.809 318 S HN 0.642 nan 8.310 nan 0.000 0.510 319 Y N -1.999 117.953 120.300 -0.581 0.000 2.852 319 Y HA 0.670 5.219 4.550 -0.001 0.000 0.350 319 Y C -1.745 173.561 175.900 -0.990 0.000 1.272 319 Y CA -2.080 55.591 58.100 -0.716 0.000 1.086 319 Y CB 0.476 38.735 38.460 -0.336 0.000 1.408 319 Y HN -0.044 nan 8.280 nan 0.000 0.447 320 Y N -0.283 119.966 120.300 -0.084 0.000 2.634 320 Y HA 0.403 4.952 4.550 -0.001 0.000 0.340 320 Y C -0.179 175.798 175.900 0.128 0.000 1.058 320 Y CA -1.509 56.474 58.100 -0.194 0.000 1.081 320 Y CB 1.330 39.504 38.460 -0.477 0.000 1.295 320 Y HN 0.687 nan 8.280 nan 0.000 0.487 321 N N 2.164 121.041 118.700 0.294 0.000 2.454 321 N HA -0.006 4.734 4.740 -0.001 0.000 0.260 321 N C 0.502 176.267 175.510 0.425 0.000 1.218 321 N CA 0.105 53.332 53.050 0.295 0.000 0.904 321 N CB 0.817 39.432 38.487 0.214 0.000 1.065 321 N HN 0.861 nan 8.380 nan 0.000 0.462 322 M N 2.645 122.414 119.600 0.282 0.000 2.558 322 M HA 0.063 4.543 4.480 -0.001 0.000 0.255 322 M C 1.718 178.039 176.300 0.034 0.000 1.113 322 M CA 0.472 55.836 55.300 0.107 0.000 1.097 322 M CB 0.104 32.739 32.600 0.058 0.000 1.426 322 M HN 0.407 nan 8.290 nan 0.000 0.488 323 R N 1.973 122.536 120.500 0.105 0.000 2.159 323 R HA -0.264 4.075 4.340 -0.001 0.000 0.249 323 R C 2.043 178.402 176.300 0.098 0.000 1.136 323 R CA 3.061 59.245 56.100 0.140 0.000 0.951 323 R CB -0.524 29.832 30.300 0.093 0.000 0.876 323 R HN 0.827 nan 8.270 nan 0.000 0.440 324 E N -0.086 120.137 120.200 0.039 0.000 2.110 324 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 324 E C 1.732 178.273 176.600 -0.098 0.000 0.988 324 E CA 0.993 57.383 56.400 -0.017 0.000 0.804 324 E CB -0.110 29.590 29.700 0.000 0.000 0.745 324 E HN 0.146 nan 8.360 nan 0.000 0.458 325 K N 0.786 121.079 120.400 -0.178 0.000 2.217 325 K HA 0.002 4.322 4.320 -0.001 0.000 0.202 325 K C 2.160 178.686 176.600 -0.124 0.000 1.051 325 K CA 0.730 56.881 56.287 -0.227 0.000 0.952 325 K CB -0.122 32.107 32.500 -0.453 0.000 0.736 325 K HN 0.152 nan 8.250 nan 0.000 0.453 326 V N 0.554 120.422 119.914 -0.078 0.000 2.331 326 V HA -0.119 4.000 4.120 -0.001 0.000 0.242 326 V C 2.362 178.380 176.094 -0.126 0.000 1.034 326 V CA 0.965 63.226 62.300 -0.065 0.000 1.027 326 V CB -0.325 31.517 31.823 0.032 0.000 0.667 326 V HN -0.106 nan 8.190 nan 0.000 0.457 327 V N 0.029 119.892 119.914 -0.084 0.000 2.594 327 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 327 V C 2.371 178.338 176.094 -0.213 0.000 1.069 327 V CA 1.864 64.081 62.300 -0.139 0.000 1.082 327 V CB -0.750 31.054 31.823 -0.031 0.000 0.680 327 V HN 0.614 nan 8.190 nan 0.000 0.469 328 E N -0.398 119.648 120.200 -0.257 0.000 2.187 328 E HA -0.217 4.132 4.350 -0.001 0.000 0.199 328 E C 0.320 176.504 176.600 -0.694 0.000 1.004 328 E CA 1.217 57.352 56.400 -0.442 0.000 0.813 328 E CB -0.013 29.381 29.700 -0.510 0.000 0.736 328 E HN 0.796 nan 8.360 nan 0.000 0.468 329 H N -1.087 117.783 119.070 -0.333 0.000 2.632 329 H HA 0.133 4.689 4.556 -0.001 0.000 0.258 329 H C -1.895 173.053 175.328 -0.633 0.000 1.278 329 H CA -1.970 53.746 56.048 -0.553 0.000 1.352 329 H CB 1.078 30.365 29.762 -0.792 0.000 1.418 329 H HN 0.070 nan 8.280 nan 0.000 0.513 330 P HA -0.287 nan 4.420 nan 0.000 0.219 330 P C 1.323 178.462 177.300 -0.269 0.000 1.144 330 P CA 1.498 64.441 63.100 -0.261 0.000 0.806 330 P CB 0.102 31.711 31.700 -0.153 0.000 0.771 331 H N -1.102 117.825 119.070 -0.238 0.000 2.491 331 H HA 0.035 4.590 4.556 -0.001 0.000 0.290 331 H C 1.886 176.988 175.328 -0.378 0.000 1.050 331 H CA 0.451 56.331 56.048 -0.281 0.000 1.309 331 H CB -1.004 28.582 29.762 -0.292 0.000 1.392 331 H HN 0.143 nan 8.280 nan 0.000 0.554 332 I N 1.244 121.421 120.570 -0.656 0.000 2.099 332 I HA -0.294 3.875 4.170 -0.001 0.000 0.239 332 I C 2.629 178.705 176.117 -0.068 0.000 1.066 332 I CA 1.319 62.287 61.300 -0.554 0.000 1.324 332 I CB -0.235 37.346 38.000 -0.700 0.000 1.037 332 I HN 0.157 nan 8.210 nan 0.000 0.401 333 L N -0.056 121.073 121.223 -0.156 0.000 2.109 333 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 333 L C 2.136 178.980 176.870 -0.044 0.000 1.086 333 L CA 1.037 55.816 54.840 -0.102 0.000 0.760 333 L CB -0.760 41.107 42.059 -0.321 0.000 0.910 333 L HN 0.193 nan 8.230 nan 0.000 0.437 334 D N 0.787 121.148 120.400 -0.065 0.000 2.103 334 D HA -0.208 4.431 4.640 -0.001 0.000 0.190 334 D C 2.214 178.538 176.300 0.040 0.000 0.997 334 D CA 1.536 55.525 54.000 -0.018 0.000 0.833 334 D CB -0.210 40.579 40.800 -0.018 0.000 0.961 334 D HN 0.212 nan 8.370 nan 0.000 0.447 335 I N 0.765 121.390 120.570 0.092 0.000 2.163 335 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 335 I C 2.410 178.599 176.117 0.121 0.000 1.085 335 I CA 1.186 62.573 61.300 0.144 0.000 1.347 335 I CB -0.249 37.911 38.000 0.266 0.000 1.044 335 I HN -0.038 nan 8.210 nan 0.000 0.408 336 A N 0.033 122.933 122.820 0.134 0.000 1.883 336 A HA -0.296 4.024 4.320 -0.001 0.000 0.217 336 A C 2.275 179.891 177.584 0.053 0.000 1.186 336 A CA 1.873 53.938 52.037 0.047 0.000 0.624 336 A CB -0.690 18.373 19.000 0.105 0.000 0.822 336 A HN 0.496 nan 8.150 nan 0.000 0.444 337 Q N -1.657 118.174 119.800 0.052 0.000 2.079 337 Q HA -0.216 4.123 4.340 -0.001 0.000 0.200 337 Q C 2.370 178.394 176.000 0.040 0.000 0.974 337 Q CA 1.501 57.328 55.803 0.040 0.000 0.840 337 Q CB -0.171 28.576 28.738 0.014 0.000 0.898 337 Q HN 0.719 nan 8.270 nan 0.000 0.430 338 Q N 0.854 120.678 119.800 0.040 0.000 2.061 338 Q HA -0.178 4.162 4.340 -0.001 0.000 0.204 338 Q C 1.876 177.902 176.000 0.044 0.000 0.984 338 Q CA 2.024 57.850 55.803 0.039 0.000 0.846 338 Q CB -0.498 28.267 28.738 0.044 0.000 0.902 338 Q HN 0.374 nan 8.270 nan 0.000 0.421 339 A N 0.132 122.982 122.820 0.051 0.000 1.873 339 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 339 A C 2.174 179.791 177.584 0.056 0.000 1.193 339 A CA 2.125 54.192 52.037 0.050 0.000 0.629 339 A CB -0.715 18.310 19.000 0.042 0.000 0.826 339 A HN 0.539 nan 8.150 nan 0.000 0.447 340 M N -1.274 118.370 119.600 0.072 0.000 2.149 340 M HA -0.168 4.312 4.480 -0.001 0.000 0.261 340 M C 2.374 178.703 176.300 0.048 0.000 1.064 340 M CA 1.474 56.825 55.300 0.086 0.000 1.102 340 M CB -0.360 32.301 32.600 0.102 0.000 1.369 340 M HN 0.358 nan 8.290 nan 0.000 0.408 341 R N 0.246 120.768 120.500 0.037 0.000 2.090 341 R HA -0.100 4.239 4.340 -0.001 0.000 0.228 341 R C 1.521 177.836 176.300 0.025 0.000 1.110 341 R CA 1.142 57.257 56.100 0.025 0.000 0.973 341 R CB -0.438 29.875 30.300 0.021 0.000 0.869 341 R HN 0.373 nan 8.270 nan 0.000 0.440 342 D N 0.063 120.481 120.400 0.030 0.000 2.265 342 D HA -0.120 4.520 4.640 -0.001 0.000 0.208 342 D C 1.144 177.461 176.300 0.028 0.000 0.977 342 D CA 0.922 54.939 54.000 0.028 0.000 0.871 342 D CB -0.041 40.777 40.800 0.030 0.000 0.925 342 D HN 0.249 nan 8.370 nan 0.000 0.485 343 C N 0.491 119.811 119.300 0.034 0.000 2.855 343 C HA 0.100 4.559 4.460 -0.001 0.000 0.279 343 C C 0.357 175.364 174.990 0.029 0.000 1.270 343 C CA -0.649 58.391 59.018 0.037 0.000 1.702 343 C CB -0.537 27.238 27.740 0.057 0.000 1.949 343 C HN 0.288 nan 8.230 nan 0.000 0.618 344 D N 0.628 121.041 120.400 0.021 0.000 3.041 344 D HA -0.152 4.488 4.640 -0.001 0.000 0.220 344 D C -0.207 176.095 176.300 0.002 0.000 1.157 344 D CA 0.906 54.913 54.000 0.012 0.000 0.876 344 D CB -1.169 39.638 40.800 0.012 0.000 1.107 344 D HN 0.480 nan 8.370 nan 0.000 0.422 345 I N 0.758 121.328 120.570 0.000 0.000 2.354 345 I HA 0.183 4.352 4.170 -0.001 0.000 0.292 345 I C 0.733 176.833 176.117 -0.027 0.000 0.989 345 I CA -0.775 60.506 61.300 -0.032 0.000 1.188 345 I CB 1.668 39.636 38.000 -0.053 0.000 1.342 345 I HN -0.240 nan 8.210 nan 0.000 0.457 346 E N 8.804 128.981 120.200 -0.038 0.000 2.257 346 E HA 0.270 4.619 4.350 -0.001 0.000 0.278 346 E C -2.404 174.173 176.600 -0.037 0.000 1.049 346 E CA -1.779 54.606 56.400 -0.025 0.000 0.876 346 E CB 0.660 30.348 29.700 -0.019 0.000 1.035 346 E HN 0.177 nan 8.360 nan 0.000 0.419 347 P HA 0.098 nan 4.420 nan 0.000 0.271 347 P C -1.117 176.189 177.300 0.009 0.000 1.216 347 P CA 0.137 63.239 63.100 0.004 0.000 0.771 347 P CB 0.591 32.310 31.700 0.031 0.000 0.864 348 E N 2.432 122.640 120.200 0.013 0.000 2.235 348 E HA 0.282 4.632 4.350 -0.001 0.000 0.252 348 E C -0.721 175.923 176.600 0.073 0.000 0.886 348 E CA -0.518 55.900 56.400 0.030 0.000 0.767 348 E CB 0.939 30.639 29.700 0.000 0.000 1.205 348 E HN 0.345 nan 8.360 nan 0.000 0.421 349 L N 4.945 126.233 121.223 0.109 0.000 2.278 349 L HA 0.344 4.683 4.340 -0.001 0.000 0.287 349 L C 0.294 177.235 176.870 0.119 0.000 1.072 349 L CA -0.159 54.786 54.840 0.175 0.000 0.819 349 L CB -0.146 42.083 42.059 0.284 0.000 1.176 349 L HN 0.325 nan 8.230 nan 0.000 0.435 350 K N 3.636 124.069 120.400 0.056 0.000 2.444 350 K HA 0.732 5.051 4.320 -0.001 0.000 0.252 350 K C -3.039 173.443 176.600 -0.196 0.000 0.993 350 K CA -2.003 54.245 56.287 -0.067 0.000 0.847 350 K CB 2.329 34.789 32.500 -0.067 0.000 1.340 350 K HN 0.084 nan 8.250 nan 0.000 0.446 351 P HA 0.354 nan 4.420 nan 0.000 0.282 351 P C -0.499 176.657 177.300 -0.240 0.000 1.259 351 P CA -0.588 62.173 63.100 -0.563 0.000 0.826 351 P CB 0.790 31.627 31.700 -1.438 0.000 1.064 352 I N 2.742 123.266 120.570 -0.077 0.000 2.291 352 I HA 0.242 4.411 4.170 -0.001 0.000 0.290 352 I C 1.416 177.480 176.117 -0.088 0.000 1.050 352 I CA -0.434 60.846 61.300 -0.034 0.000 1.245 352 I CB 0.385 38.380 38.000 -0.008 0.000 1.405 352 I HN 0.079 nan 8.210 nan 0.000 0.478 353 R N 5.609 126.045 120.500 -0.107 0.000 4.902 353 R HA 0.296 4.635 4.340 -0.001 0.000 0.201 353 R C 0.486 176.861 176.300 0.125 0.000 2.020 353 R CA -0.211 55.748 56.100 -0.234 0.000 1.674 353 R CB -0.291 30.036 30.300 0.046 0.000 1.349 353 R HN 0.930 nan 8.270 nan 0.000 0.813 354 G N -1.106 107.753 108.800 0.099 0.000 2.399 354 G HA2 0.267 4.227 3.960 -0.001 0.000 0.256 354 G HA3 0.267 4.227 3.960 -0.001 0.000 0.256 354 G C -1.120 173.827 174.900 0.078 0.000 1.236 354 G CA -0.384 44.872 45.100 0.261 0.000 0.914 354 G HN 0.286 nan 8.290 nan 0.000 0.482 355 G N -0.858 107.833 108.800 -0.180 0.000 2.489 355 G HA2 0.804 4.764 3.960 -0.001 0.000 0.327 355 G HA3 0.804 4.764 3.960 -0.001 0.000 0.327 355 G C -0.173 174.534 174.900 -0.322 0.000 1.189 355 G CA 0.564 45.295 45.100 -0.616 0.000 0.962 355 G HN 1.428 nan 8.290 nan 0.000 0.486 356 T N -1.762 112.617 114.554 -0.292 0.000 2.887 356 T HA 0.406 4.755 4.350 -0.001 0.000 0.292 356 T C 0.161 174.745 174.700 -0.193 0.000 1.087 356 T CA -0.631 61.361 62.100 -0.179 0.000 1.009 356 T CB 2.071 70.884 68.868 -0.092 0.000 1.203 356 T HN 0.201 nan 8.240 nan 0.000 0.518 357 D N 0.829 121.134 120.400 -0.159 0.000 2.117 357 D HA 0.016 4.655 4.640 -0.001 0.000 0.197 357 D C 2.316 178.506 176.300 -0.184 0.000 0.987 357 D CA 1.929 55.825 54.000 -0.172 0.000 0.829 357 D CB -0.817 39.885 40.800 -0.163 0.000 0.961 357 D HN 0.787 nan 8.370 nan 0.000 0.460 358 G N 0.785 109.494 108.800 -0.151 0.000 2.440 358 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 358 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 358 G C 1.731 176.578 174.900 -0.088 0.000 1.154 358 G CA 1.482 46.500 45.100 -0.137 0.000 0.767 358 G HN 0.405 nan 8.290 nan 0.000 0.552 359 A N 0.592 123.378 122.820 -0.057 0.000 1.873 359 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 359 A C 2.376 180.040 177.584 0.133 0.000 1.193 359 A CA 2.316 54.372 52.037 0.032 0.000 0.629 359 A CB -0.572 18.404 19.000 -0.040 0.000 0.826 359 A HN 0.445 nan 8.150 nan 0.000 0.447 360 Q N -0.353 119.458 119.800 0.017 0.000 2.046 360 Q HA -0.025 4.314 4.340 -0.001 0.000 0.200 360 Q C 2.092 178.122 176.000 0.050 0.000 0.975 360 Q CA 1.500 57.337 55.803 0.057 0.000 0.836 360 Q CB -0.379 28.331 28.738 -0.047 0.000 0.896 360 Q HN 0.684 nan 8.270 nan 0.000 0.428 361 L N 0.014 121.184 121.223 -0.087 0.000 2.042 361 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 361 L C 2.318 179.135 176.870 -0.089 0.000 1.076 361 L CA 0.971 55.713 54.840 -0.165 0.000 0.749 361 L CB -0.462 41.382 42.059 -0.358 0.000 0.893 361 L HN 0.163 nan 8.230 nan 0.000 0.432 362 S N -0.827 114.822 115.700 -0.085 0.000 2.440 362 S HA -0.106 4.364 4.470 -0.001 0.000 0.238 362 S C 1.503 175.930 174.600 -0.289 0.000 1.010 362 S CA 1.258 59.349 58.200 -0.182 0.000 0.972 362 S CB -0.201 62.860 63.200 -0.232 0.000 0.774 362 S HN 0.296 nan 8.310 nan 0.000 0.501 363 F N 0.025 119.983 119.950 0.013 0.000 2.731 363 F HA 0.379 4.906 4.527 -0.001 0.000 0.298 363 F C 1.580 177.400 175.800 0.033 0.000 1.106 363 F CA 0.214 58.239 58.000 0.041 0.000 1.329 363 F CB -0.089 38.964 39.000 0.088 0.000 1.100 363 F HN 0.115 nan 8.300 nan 0.000 0.592 364 M N -0.495 119.189 119.600 0.140 0.000 2.505 364 M HA 0.283 4.762 4.480 -0.001 0.000 0.230 364 M C 1.106 177.447 176.300 0.068 0.000 1.153 364 M CA 0.471 55.829 55.300 0.096 0.000 0.997 364 M CB 0.006 32.646 32.600 0.066 0.000 1.606 364 M HN 0.216 nan 8.290 nan 0.000 0.481 365 G N 1.874 110.699 108.800 0.042 0.000 2.140 365 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.211 365 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.211 365 G C -0.597 174.318 174.900 0.026 0.000 1.013 365 G CA -0.343 44.778 45.100 0.036 0.000 0.705 365 G HN 0.397 nan 8.290 nan 0.000 0.508 366 L N 0.808 122.023 121.223 -0.012 0.000 2.514 366 L HA 0.595 4.934 4.340 -0.001 0.000 0.257 366 L C -2.476 174.350 176.870 -0.074 0.000 1.101 366 L CA -1.895 52.933 54.840 -0.021 0.000 0.911 366 L CB 1.580 43.627 42.059 -0.020 0.000 1.162 366 L HN -0.119 nan 8.230 nan 0.000 0.477 367 P HA 0.123 nan 4.420 nan 0.000 0.265 367 P C -0.708 176.528 177.300 -0.106 0.000 1.193 367 P CA -0.035 63.010 63.100 -0.091 0.000 0.765 367 P CB 0.615 32.278 31.700 -0.062 0.000 0.823 368 C N 5.710 124.937 119.300 -0.121 0.000 3.432 368 C HA 0.344 4.803 4.460 -0.001 0.000 0.242 368 C C -2.671 172.279 174.990 -0.067 0.000 1.152 368 C CA -1.925 57.008 59.018 -0.142 0.000 1.242 368 C CB -0.467 27.172 27.740 -0.169 0.000 1.802 368 C HN 0.467 nan 8.230 nan 0.000 0.577 369 P HA 0.185 nan 4.420 nan 0.000 0.272 369 P C -0.703 176.696 177.300 0.165 0.000 1.254 369 P CA 0.124 63.295 63.100 0.119 0.000 0.795 369 P CB 0.569 32.388 31.700 0.198 0.000 1.022 370 N N 0.043 118.855 118.700 0.186 0.000 2.400 370 N HA 0.414 5.154 4.740 -0.001 0.000 0.288 370 N C -1.353 174.270 175.510 0.187 0.000 1.024 370 N CA -0.371 52.774 53.050 0.159 0.000 0.894 370 N CB 0.222 38.773 38.487 0.108 0.000 1.173 370 N HN 0.228 nan 8.380 nan 0.000 0.487 371 L N 3.220 124.530 121.223 0.144 0.000 2.334 371 L HA 0.542 4.881 4.340 -0.001 0.000 0.273 371 L C 0.218 177.099 176.870 0.018 0.000 1.013 371 L CA -1.289 53.598 54.840 0.079 0.000 0.816 371 L CB 0.914 42.946 42.059 -0.046 0.000 1.278 371 L HN 0.529 nan 8.230 nan 0.000 0.431 372 F N 0.096 120.056 119.950 0.016 0.000 2.532 372 F HA 0.215 4.741 4.527 -0.001 0.000 0.323 372 F C 0.825 176.601 175.800 -0.039 0.000 1.234 372 F CA -0.112 57.875 58.000 -0.022 0.000 1.323 372 F CB -0.096 38.876 39.000 -0.046 0.000 1.183 372 F HN 0.356 nan 8.300 nan 0.000 0.589 373 T N -0.700 113.899 114.554 0.075 0.000 2.980 373 T HA 0.343 4.692 4.350 -0.001 0.000 0.252 373 T C 1.214 175.920 174.700 0.009 0.000 0.962 373 T CA 0.327 62.398 62.100 -0.047 0.000 0.932 373 T CB 0.094 68.939 68.868 -0.039 0.000 1.188 373 T HN 1.269 nan 8.240 nan 0.000 0.500 374 G N 1.058 109.888 108.800 0.049 0.000 2.194 374 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.236 374 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.236 374 G C 0.432 175.126 174.900 -0.342 0.000 0.987 374 G CA -0.095 44.955 45.100 -0.083 0.000 0.635 374 G HN 0.837 nan 8.290 nan 0.000 0.520 375 G N -0.831 107.779 108.800 -0.318 0.000 2.504 375 G HA2 0.674 4.633 3.960 -0.001 0.000 0.288 375 G HA3 0.674 4.633 3.960 -0.001 0.000 0.288 375 G C -0.655 173.555 174.900 -1.151 0.000 1.182 375 G CA -0.548 44.313 45.100 -0.397 0.000 0.894 375 G HN 0.432 nan 8.290 nan 0.000 0.521 376 Y N -1.580 118.064 120.300 -1.095 0.000 2.677 376 Y HA 0.304 4.854 4.550 -0.001 0.000 0.334 376 Y C 0.442 175.709 175.900 -1.056 0.000 1.154 376 Y CA -1.184 56.203 58.100 -1.189 0.000 1.070 376 Y CB 1.506 39.259 38.460 -1.178 0.000 1.294 376 Y HN 0.521 nan 8.280 nan 0.000 0.475 377 N N -0.125 118.256 118.700 -0.532 0.000 2.714 377 N HA -0.259 4.481 4.740 -0.001 0.000 0.252 377 N C -1.239 174.162 175.510 -0.180 0.000 1.014 377 N CA 0.599 53.468 53.050 -0.301 0.000 0.735 377 N CB -1.624 36.658 38.487 -0.342 0.000 0.924 377 N HN 0.639 nan 8.380 nan 0.000 0.540 378 Y N -0.136 120.047 120.300 -0.196 0.000 2.550 378 Y HA 0.013 4.563 4.550 -0.001 0.000 0.343 378 Y C 1.493 177.222 175.900 -0.285 0.000 1.245 378 Y CA -0.144 57.756 58.100 -0.333 0.000 1.462 378 Y CB 0.380 38.480 38.460 -0.600 0.000 1.340 378 Y HN 0.399 nan 8.280 nan 0.000 0.604 379 H N -0.848 118.355 119.070 0.222 0.000 2.944 379 H HA -0.061 4.494 4.556 -0.001 0.000 0.313 379 H C 0.122 175.516 175.328 0.110 0.000 1.293 379 H CA 0.089 56.217 56.048 0.133 0.000 1.173 379 H CB -1.550 28.282 29.762 0.118 0.000 1.420 379 H HN 0.990 nan 8.280 nan 0.000 0.432 380 G N -0.106 108.805 108.800 0.184 0.000 2.328 380 G HA2 0.268 4.228 3.960 -0.001 0.000 0.295 380 G HA3 0.268 4.228 3.960 -0.001 0.000 0.295 380 G C 0.209 175.140 174.900 0.052 0.000 1.413 380 G CA -0.557 44.611 45.100 0.113 0.000 0.817 380 G HN 0.176 nan 8.290 nan 0.000 0.546 381 K N -1.169 119.202 120.400 -0.048 0.000 2.439 381 K HA 0.006 4.325 4.320 -0.001 0.000 0.197 381 K C 0.930 177.443 176.600 -0.144 0.000 1.041 381 K CA 1.292 57.509 56.287 -0.117 0.000 0.970 381 K CB -0.070 32.322 32.500 -0.180 0.000 0.773 381 K HN 0.587 nan 8.250 nan 0.000 0.479 382 H N 1.073 120.188 119.070 0.076 0.000 2.555 382 H HA 0.162 4.718 4.556 -0.001 0.000 0.283 382 H C -0.454 174.869 175.328 -0.008 0.000 1.037 382 H CA -0.356 55.701 56.048 0.015 0.000 1.169 382 H CB 0.226 29.974 29.762 -0.022 0.000 1.375 382 H HN 0.301 nan 8.280 nan 0.000 0.582 383 E N 1.652 121.922 120.200 0.118 0.000 2.290 383 E HA 0.172 4.522 4.350 -0.001 0.000 0.277 383 E C -0.803 175.913 176.600 0.193 0.000 1.035 383 E CA -0.348 56.111 56.400 0.098 0.000 0.873 383 E CB 0.460 30.243 29.700 0.139 0.000 1.029 383 E HN 0.320 nan 8.360 nan 0.000 0.419 384 F N 2.121 122.079 119.950 0.012 0.000 2.692 384 F HA 0.772 5.298 4.527 -0.001 0.000 0.320 384 F C -1.615 174.247 175.800 0.102 0.000 1.123 384 F CA -1.009 57.014 58.000 0.039 0.000 0.961 384 F CB 1.146 40.115 39.000 -0.051 0.000 1.383 384 F HN 0.174 nan 8.300 nan 0.000 0.483 385 V N 0.398 120.440 119.914 0.213 0.000 3.178 385 V HA 0.707 4.826 4.120 -0.001 0.000 0.302 385 V C -1.181 175.038 176.094 0.209 0.000 1.262 385 V CA 0.024 62.376 62.300 0.087 0.000 1.030 385 V CB 2.626 34.436 31.823 -0.022 0.000 1.074 385 V HN 1.305 nan 8.190 nan 0.000 0.438 386 T N 2.498 117.147 114.554 0.158 0.000 2.824 386 T HA 0.436 4.786 4.350 -0.001 0.000 0.280 386 T C 0.733 175.465 174.700 0.053 0.000 0.995 386 T CA -0.260 61.922 62.100 0.135 0.000 1.009 386 T CB 1.514 70.483 68.868 0.168 0.000 0.955 386 T HN 0.688 nan 8.240 nan 0.000 0.452 387 L N 2.011 123.262 121.223 0.047 0.000 2.079 387 L HA 0.043 4.383 4.340 -0.001 0.000 0.210 387 L C 2.266 179.147 176.870 0.017 0.000 1.081 387 L CA 1.910 56.759 54.840 0.015 0.000 0.752 387 L CB -0.821 41.260 42.059 0.036 0.000 0.896 387 L HN 0.834 nan 8.230 nan 0.000 0.433 388 E N -0.716 119.510 120.200 0.044 0.000 2.152 388 E HA -0.049 4.301 4.350 -0.001 0.000 0.192 388 E C 2.139 178.774 176.600 0.059 0.000 0.983 388 E CA 0.983 57.412 56.400 0.048 0.000 0.818 388 E CB -0.607 29.127 29.700 0.057 0.000 0.758 388 E HN 0.580 nan 8.360 nan 0.000 0.467 389 G N 0.444 109.286 108.800 0.070 0.000 2.402 389 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 389 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 389 G C 1.528 176.487 174.900 0.098 0.000 1.162 389 G CA 0.741 45.901 45.100 0.100 0.000 0.777 389 G HN 0.137 nan 8.290 nan 0.000 0.539 390 M N 0.176 119.779 119.600 0.004 0.000 2.175 390 M HA 0.002 4.481 4.480 -0.001 0.000 0.264 390 M C 2.407 178.684 176.300 -0.039 0.000 1.063 390 M CA 1.373 56.635 55.300 -0.063 0.000 1.119 390 M CB -0.225 32.280 32.600 -0.158 0.000 1.377 390 M HN 0.345 nan 8.290 nan 0.000 0.415 391 E N 0.845 121.041 120.200 -0.007 0.000 2.072 391 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 391 E C 1.813 178.427 176.600 0.023 0.000 0.985 391 E CA 1.012 57.411 56.400 -0.001 0.000 0.801 391 E CB 0.176 29.881 29.700 0.009 0.000 0.750 391 E HN 0.315 nan 8.360 nan 0.000 0.452 392 K N 0.406 120.854 120.400 0.080 0.000 2.063 392 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 392 K C 2.128 178.831 176.600 0.171 0.000 1.048 392 K CA 1.114 57.493 56.287 0.153 0.000 0.928 392 K CB -0.465 32.164 32.500 0.215 0.000 0.713 392 K HN 0.191 nan 8.250 nan 0.000 0.442 393 A N 1.197 124.066 122.820 0.082 0.000 1.902 393 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 393 A C 2.529 179.970 177.584 -0.238 0.000 1.181 393 A CA 1.656 53.503 52.037 -0.317 0.000 0.623 393 A CB -0.723 18.007 19.000 -0.449 0.000 0.818 393 A HN 0.068 nan 8.150 nan 0.000 0.443 394 V N -0.136 119.690 119.914 -0.146 0.000 2.332 394 V HA -0.357 3.762 4.120 -0.001 0.000 0.248 394 V C 2.670 178.695 176.094 -0.116 0.000 1.055 394 V CA 2.411 64.627 62.300 -0.140 0.000 1.038 394 V CB -0.922 30.845 31.823 -0.095 0.000 0.651 394 V HN 0.656 nan 8.190 nan 0.000 0.450 395 Q N -0.739 119.028 119.800 -0.055 0.000 2.084 395 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 395 Q C 2.330 178.312 176.000 -0.030 0.000 0.978 395 Q CA 1.828 57.616 55.803 -0.026 0.000 0.844 395 Q CB -0.265 28.482 28.738 0.016 0.000 0.898 395 Q HN 0.556 nan 8.270 nan 0.000 0.426 396 V N 0.825 120.724 119.914 -0.024 0.000 2.343 396 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 396 V C 2.084 178.121 176.094 -0.095 0.000 1.051 396 V CA 1.579 63.864 62.300 -0.024 0.000 1.036 396 V CB -0.450 31.381 31.823 0.013 0.000 0.654 396 V HN 0.350 nan 8.190 nan 0.000 0.451 397 I N -0.429 120.026 120.570 -0.191 0.000 2.142 397 I HA -0.217 3.953 4.170 -0.001 0.000 0.240 397 I C 2.419 178.388 176.117 -0.247 0.000 1.078 397 I CA 1.360 62.472 61.300 -0.314 0.000 1.343 397 I CB -0.520 37.141 38.000 -0.565 0.000 1.046 397 I HN 0.122 nan 8.210 nan 0.000 0.405 398 V N 0.794 120.590 119.914 -0.198 0.000 2.282 398 V HA -0.311 3.809 4.120 -0.001 0.000 0.249 398 V C 2.641 178.710 176.094 -0.042 0.000 1.057 398 V CA 1.988 64.213 62.300 -0.125 0.000 1.032 398 V CB -0.749 31.019 31.823 -0.092 0.000 0.645 398 V HN 0.369 nan 8.190 nan 0.000 0.447 399 R N 0.098 120.585 120.500 -0.022 0.000 2.092 399 R HA -0.015 4.324 4.340 -0.001 0.000 0.231 399 R C 1.962 178.292 176.300 0.050 0.000 1.119 399 R CA 1.503 57.614 56.100 0.018 0.000 0.970 399 R CB -0.755 29.557 30.300 0.020 0.000 0.864 399 R HN 0.545 nan 8.270 nan 0.000 0.440 400 I N 0.062 120.664 120.570 0.055 0.000 2.142 400 I HA -0.276 3.894 4.170 -0.001 0.000 0.240 400 I C 2.267 178.491 176.117 0.178 0.000 1.078 400 I CA 1.506 62.880 61.300 0.123 0.000 1.343 400 I CB -0.489 37.571 38.000 0.099 0.000 1.046 400 I HN 0.224 nan 8.210 nan 0.000 0.405 401 A N 0.127 123.050 122.820 0.173 0.000 1.917 401 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 401 A C 2.320 179.975 177.584 0.119 0.000 1.182 401 A CA 2.199 54.325 52.037 0.148 0.000 0.633 401 A CB -0.704 18.336 19.000 0.067 0.000 0.819 401 A HN 0.534 nan 8.150 nan 0.000 0.448 402 E N -0.356 119.898 120.200 0.091 0.000 2.047 402 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 402 E C 1.903 178.552 176.600 0.082 0.000 0.987 402 E CA 0.967 57.416 56.400 0.082 0.000 0.799 402 E CB -0.172 29.563 29.700 0.057 0.000 0.752 402 E HN 0.629 nan 8.360 nan 0.000 0.449 403 L N 0.341 121.619 121.223 0.091 0.000 2.217 403 L HA -0.094 4.245 4.340 -0.001 0.000 0.211 403 L C 2.448 179.389 176.870 0.118 0.000 1.107 403 L CA 0.966 55.863 54.840 0.094 0.000 0.783 403 L CB -0.185 41.932 42.059 0.098 0.000 0.919 403 L HN 0.175 nan 8.230 nan 0.000 0.442 404 T N -0.147 114.497 114.554 0.150 0.000 2.867 404 T HA -0.098 4.251 4.350 -0.001 0.000 0.268 404 T C 1.929 176.686 174.700 0.095 0.000 1.057 404 T CA 1.221 63.422 62.100 0.168 0.000 1.136 404 T CB -0.049 68.916 68.868 0.161 0.000 0.874 404 T HN 0.436 nan 8.240 nan 0.000 0.466 405 A N 1.079 123.944 122.820 0.075 0.000 2.067 405 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 405 A C 2.195 179.798 177.584 0.033 0.000 1.156 405 A CA 0.758 52.821 52.037 0.045 0.000 0.683 405 A CB -0.328 18.700 19.000 0.046 0.000 0.808 405 A HN 0.515 nan 8.150 nan 0.000 0.455 406 Q N -0.376 119.450 119.800 0.042 0.000 2.187 406 Q HA -0.098 4.241 4.340 -0.001 0.000 0.199 406 Q C 0.922 176.937 176.000 0.026 0.000 0.957 406 Q CA 1.146 56.968 55.803 0.031 0.000 0.857 406 Q CB -0.070 28.689 28.738 0.036 0.000 0.929 406 Q HN 0.793 nan 8.270 nan 0.000 0.453 407 R N 0.545 121.066 120.500 0.035 0.000 4.141 407 R HA 0.275 4.614 4.340 -0.001 0.000 0.281 407 R C -0.158 176.148 176.300 0.009 0.000 1.608 407 R CA -0.097 56.014 56.100 0.019 0.000 1.426 407 R CB -0.707 29.604 30.300 0.017 0.000 1.432 407 R HN -0.213 nan 8.270 nan 0.000 0.708 408 K N 0.806 121.211 120.400 0.008 0.000 2.245 408 K HA 0.430 4.749 4.320 -0.001 0.000 0.281 408 K C 0.014 176.612 176.600 -0.003 0.000 1.079 408 K CA 0.623 56.911 56.287 0.001 0.000 1.000 408 K CB -0.568 31.931 32.500 -0.002 0.000 1.038 408 K HN 0.799 nan 8.250 nan 0.000 0.430 409 E N 0.000 120.196 120.200 -0.007 0.000 2.725 409 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 409 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 409 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440