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 1y10_1_B DATA FIRST_RESID 20 DATA SEQUENCE LGGTARAERA KLVEWLLEQG ITPDEIRATN PPLLLATRHL VGDDGTYVSA DATA SEQUENCE REISENYGVD LELLQRVQRA VGLARVDDPD AVVHMRADGE AAARAQRFVE DATA SEQUENCE LGLNPDQVVL VVRVLAEGLS HAAEAMRYTA LEAIMRPGAT ELDIAKGSQA DATA SEQUENCE LVSQIVPLLG PMIQDMLFMQ LRHMMETEAV NAGERAAGKP LPGARQVTVA DATA SEQUENCE FADLVGFTQL GEVVSAEELG HLAGRLAGLA RDLTAPPVWF IKTIGDAVML DATA SEQUENCE VCPDPAPLLD TVLKLVEVVD TDNNFPRLRA GVASGMAVSR AGDWFGSPVN DATA SEQUENCE VASRVTGVAR PGAVLVADSV REALGDAPEA DGFQWSFAGP RRLRGIRGDV DATA SEQUENCE RLFRVRR 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.875 176.870 0.008 0.000 1.165 20 L CA 0.000 54.845 54.840 0.009 0.000 0.813 20 L CB 0.000 42.066 42.059 0.011 0.000 0.961 21 G N 1.024 109.828 108.800 0.007 0.000 2.718 21 G HA2 0.575 4.536 3.960 0.000 0.000 0.302 21 G HA3 0.575 4.536 3.960 0.000 0.000 0.302 21 G C -0.039 174.864 174.900 0.005 0.000 2.393 21 G CA 0.575 45.679 45.100 0.006 0.000 0.854 21 G HN 1.024 nan 8.290 nan 0.000 0.388 22 G N 1.012 109.816 108.800 0.005 0.000 1.894 22 G HA2 0.072 4.033 3.960 0.000 0.000 0.076 22 G HA3 0.072 4.033 3.960 0.000 0.000 0.076 22 G C 0.944 175.846 174.900 0.004 0.000 0.954 22 G CA 0.885 45.987 45.100 0.004 0.000 1.214 22 G HN 0.935 nan 8.290 nan 0.000 0.409 23 T N 1.442 115.998 114.554 0.003 0.000 3.037 23 T HA 0.474 4.824 4.350 0.000 0.000 0.252 23 T C 1.827 176.528 174.700 0.001 0.000 1.073 23 T CA 1.611 63.712 62.100 0.001 0.000 1.091 23 T CB 0.407 69.275 68.868 0.000 0.000 0.935 23 T HN 1.334 nan 8.240 nan 0.000 0.488 24 A N 1.204 124.025 122.820 0.002 0.000 2.503 24 A HA 0.391 4.711 4.320 0.000 0.000 0.263 24 A C 1.795 179.382 177.584 0.005 0.000 1.360 24 A CA -0.059 51.979 52.037 0.002 0.000 0.969 24 A CB -0.368 18.634 19.000 0.002 0.000 1.000 24 A HN 0.284 nan 8.150 nan 0.000 0.530 25 R N -2.034 118.469 120.500 0.006 0.000 2.716 25 R HA 0.214 4.554 4.340 0.000 0.000 0.186 25 R C 1.842 178.149 176.300 0.010 0.000 0.830 25 R CA 0.955 57.060 56.100 0.009 0.000 1.059 25 R CB -0.177 30.128 30.300 0.009 0.000 1.531 25 R HN 0.365 nan 8.270 nan 0.000 0.633 26 A N 1.521 124.345 122.820 0.008 0.000 2.015 26 A HA -0.147 4.173 4.320 0.000 0.000 0.219 26 A C 1.831 179.419 177.584 0.007 0.000 1.163 26 A CA 1.462 53.504 52.037 0.009 0.000 0.646 26 A CB -0.429 18.574 19.000 0.006 0.000 0.806 26 A HN 0.540 nan 8.150 nan 0.000 0.448 27 E N -0.225 119.977 120.200 0.003 0.000 2.049 27 E HA -0.301 4.049 4.350 0.000 0.000 0.198 27 E C 2.246 178.849 176.600 0.004 0.000 1.007 27 E CA 1.634 58.032 56.400 -0.003 0.000 0.809 27 E CB -0.131 29.566 29.700 -0.005 0.000 0.749 27 E HN 0.396 nan 8.360 nan 0.000 0.450 28 R N 0.659 121.166 120.500 0.012 0.000 2.096 28 R HA -0.070 4.270 4.340 0.000 0.000 0.235 28 R C 1.984 178.304 176.300 0.034 0.000 1.127 28 R CA 1.646 57.760 56.100 0.023 0.000 0.968 28 R CB -0.904 29.409 30.300 0.022 0.000 0.861 28 R HN 0.265 nan 8.270 nan 0.000 0.440 29 A N 0.848 123.685 122.820 0.029 0.000 1.873 29 A HA -0.246 4.074 4.320 0.000 0.000 0.218 29 A C 2.020 179.633 177.584 0.049 0.000 1.193 29 A CA 2.102 54.160 52.037 0.035 0.000 0.629 29 A CB -0.548 18.467 19.000 0.026 0.000 0.826 29 A HN 0.418 nan 8.150 nan 0.000 0.447 30 K N -0.951 119.473 120.400 0.039 0.000 2.034 30 K HA -0.202 4.118 4.320 0.000 0.000 0.214 30 K C 1.939 178.589 176.600 0.084 0.000 1.051 30 K CA 1.669 57.983 56.287 0.045 0.000 0.931 30 K CB -0.474 32.028 32.500 0.003 0.000 0.715 30 K HN 0.398 nan 8.250 nan 0.000 0.446 31 L N 0.749 122.012 121.223 0.066 0.000 1.976 31 L HA -0.154 4.186 4.340 0.000 0.000 0.209 31 L C 2.082 179.076 176.870 0.206 0.000 1.071 31 L CA 1.538 56.445 54.840 0.112 0.000 0.746 31 L CB -0.555 41.542 42.059 0.065 0.000 0.890 31 L HN -0.038 nan 8.230 nan 0.000 0.432 32 V N 0.284 120.277 119.914 0.133 0.000 2.332 32 V HA -0.271 3.849 4.120 0.000 0.000 0.248 32 V C 2.651 178.814 176.094 0.115 0.000 1.055 32 V CA 1.998 64.366 62.300 0.113 0.000 1.038 32 V CB -0.671 31.194 31.823 0.070 0.000 0.651 32 V HN 0.524 nan 8.190 nan 0.000 0.450 33 E N -1.362 118.910 120.200 0.120 0.000 2.072 33 E HA -0.269 4.081 4.350 0.000 0.000 0.191 33 E C 1.899 178.578 176.600 0.133 0.000 0.985 33 E CA 1.608 58.069 56.400 0.102 0.000 0.801 33 E CB -0.290 29.467 29.700 0.094 0.000 0.750 33 E HN 0.833 nan 8.360 nan 0.000 0.452 34 W N 1.979 123.283 121.300 0.007 0.000 2.379 34 W HA -0.118 4.543 4.660 0.000 0.000 0.307 34 W C 2.022 178.547 176.519 0.010 0.000 1.200 34 W CA 1.192 58.542 57.345 0.008 0.000 1.297 34 W CB -0.314 29.152 29.460 0.009 0.000 1.140 34 W HN -0.071 nan 8.180 nan 0.000 0.507 35 L N 0.229 121.577 121.223 0.209 0.000 2.042 35 L HA -0.280 4.060 4.340 0.000 0.000 0.210 35 L C 2.529 179.328 176.870 -0.118 0.000 1.076 35 L CA 1.378 56.228 54.840 0.017 0.000 0.749 35 L CB -1.135 41.012 42.059 0.147 0.000 0.893 35 L HN 0.086 nan 8.230 nan 0.000 0.432 36 L N -0.594 120.597 121.223 -0.053 0.000 2.083 36 L HA -0.191 4.149 4.340 0.000 0.000 0.209 36 L C 2.555 179.350 176.870 -0.125 0.000 1.083 36 L CA 1.047 55.847 54.840 -0.068 0.000 0.752 36 L CB -0.411 41.634 42.059 -0.024 0.000 0.899 36 L HN 0.289 nan 8.230 nan 0.000 0.433 37 E N -0.382 119.713 120.200 -0.175 0.000 2.427 37 E HA -0.109 4.241 4.350 0.000 0.000 0.196 37 E C 1.659 178.070 176.600 -0.315 0.000 1.028 37 E CA 0.460 56.734 56.400 -0.209 0.000 0.864 37 E CB 0.100 29.692 29.700 -0.180 0.000 0.813 37 E HN 0.479 nan 8.360 nan 0.000 0.514 38 Q N -0.405 119.128 119.800 -0.444 0.000 2.365 38 Q HA 0.108 4.449 4.340 0.000 0.000 0.203 38 Q C 0.860 176.692 176.000 -0.279 0.000 0.929 38 Q CA 0.435 55.959 55.803 -0.466 0.000 0.948 38 Q CB 0.739 29.033 28.738 -0.739 0.000 1.043 38 Q HN 0.368 nan 8.270 nan 0.000 0.505 39 G N 1.348 110.021 108.800 -0.212 0.000 2.136 39 G HA2 -0.267 3.694 3.960 0.000 0.000 0.242 39 G HA3 -0.267 3.694 3.960 0.000 0.000 0.242 39 G C 0.130 174.950 174.900 -0.134 0.000 0.989 39 G CA -0.049 44.954 45.100 -0.162 0.000 0.682 39 G HN 0.349 nan 8.290 nan 0.000 0.522 40 I N 2.112 122.609 120.570 -0.121 0.000 2.395 40 I HA 0.410 4.580 4.170 0.000 0.000 0.289 40 I C 1.280 177.369 176.117 -0.046 0.000 1.023 40 I CA -0.034 61.225 61.300 -0.069 0.000 1.350 40 I CB 1.341 39.315 38.000 -0.043 0.000 1.409 40 I HN 0.271 nan 8.210 nan 0.000 0.507 41 T N 2.736 117.273 114.554 -0.029 0.000 2.913 41 T HA 0.287 4.638 4.350 0.000 0.000 0.287 41 T C -1.848 172.850 174.700 -0.004 0.000 1.008 41 T CA -1.810 60.279 62.100 -0.018 0.000 1.067 41 T CB 1.400 70.259 68.868 -0.014 0.000 0.996 41 T HN 0.293 nan 8.240 nan 0.000 0.513 42 P HA -0.178 nan 4.420 nan 0.000 0.217 42 P C 0.793 178.099 177.300 0.011 0.000 1.158 42 P CA 1.565 64.669 63.100 0.007 0.000 0.887 42 P CB -0.122 31.581 31.700 0.005 0.000 0.792 43 D N -0.756 119.649 120.400 0.009 0.000 2.123 43 D HA -0.170 4.470 4.640 0.000 0.000 0.196 43 D C 1.868 178.179 176.300 0.018 0.000 0.992 43 D CA 1.061 55.069 54.000 0.012 0.000 0.833 43 D CB -0.624 40.182 40.800 0.010 0.000 0.954 43 D HN 0.316 nan 8.370 nan 0.000 0.455 44 E N 0.118 120.329 120.200 0.018 0.000 2.110 44 E HA -0.121 4.230 4.350 0.000 0.000 0.193 44 E C 1.920 178.539 176.600 0.032 0.000 0.988 44 E CA 0.573 56.989 56.400 0.026 0.000 0.804 44 E CB -0.079 29.634 29.700 0.023 0.000 0.745 44 E HN 0.355 nan 8.360 nan 0.000 0.458 45 I N 0.578 121.166 120.570 0.030 0.000 2.850 45 I HA -0.225 3.945 4.170 0.000 0.000 0.266 45 I C 1.436 177.574 176.117 0.035 0.000 1.257 45 I CA 1.007 62.329 61.300 0.037 0.000 1.465 45 I CB -0.046 37.976 38.000 0.037 0.000 1.091 45 I HN 0.047 nan 8.210 nan 0.000 0.467 46 R N 0.286 120.804 120.500 0.029 0.000 2.453 46 R HA 0.335 4.675 4.340 0.000 0.000 0.233 46 R C 1.243 177.558 176.300 0.026 0.000 0.895 46 R CA 0.405 56.521 56.100 0.026 0.000 1.028 46 R CB -0.153 30.159 30.300 0.021 0.000 1.255 46 R HN 0.031 nan 8.270 nan 0.000 0.571 47 A N 1.783 124.619 122.820 0.027 0.000 2.958 47 A HA 0.289 4.609 4.320 0.000 0.000 0.247 47 A C -0.038 177.566 177.584 0.034 0.000 1.679 47 A CA 0.726 52.779 52.037 0.027 0.000 1.345 47 A CB -0.624 18.392 19.000 0.027 0.000 1.013 47 A HN 0.169 nan 8.150 nan 0.000 0.641 48 T N -0.662 113.912 114.554 0.033 0.000 3.657 48 T HA -0.023 4.328 4.350 0.000 0.000 0.292 48 T C -1.263 173.459 174.700 0.036 0.000 0.697 48 T CA -0.681 61.442 62.100 0.038 0.000 0.965 48 T CB -0.949 67.948 68.868 0.048 0.000 1.340 48 T HN 0.461 nan 8.240 nan 0.000 0.462 49 N N 3.253 121.972 118.700 0.032 0.000 2.448 49 N HA 0.707 5.447 4.740 0.000 0.000 0.274 49 N C -2.312 173.217 175.510 0.032 0.000 1.239 49 N CA -1.002 52.066 53.050 0.029 0.000 0.982 49 N CB 0.173 38.674 38.487 0.024 0.000 1.199 49 N HN 0.545 nan 8.380 nan 0.000 0.576 50 P HA -0.114 nan 4.420 nan 0.000 0.229 50 P C -2.475 174.849 177.300 0.040 0.000 1.028 50 P CA -0.006 63.113 63.100 0.031 0.000 0.829 50 P CB -0.461 31.254 31.700 0.024 0.000 0.734 51 P HA 0.127 nan 4.420 nan 0.000 0.214 51 P C 0.665 178.016 177.300 0.086 0.000 1.849 51 P CA -0.277 62.863 63.100 0.067 0.000 1.022 51 P CB -0.194 31.548 31.700 0.070 0.000 1.912 52 L N -1.801 119.463 121.223 0.068 0.000 2.341 52 L HA 0.227 4.567 4.340 0.000 0.000 0.214 52 L C 1.303 178.232 176.870 0.099 0.000 1.115 52 L CA 0.937 55.817 54.840 0.066 0.000 0.820 52 L CB -0.634 41.439 42.059 0.023 0.000 0.944 52 L HN -0.000 nan 8.230 nan 0.000 0.452 53 L N -0.801 120.481 121.223 0.098 0.000 3.069 53 L HA 0.178 4.518 4.340 0.000 0.000 0.271 53 L C 1.546 178.486 176.870 0.117 0.000 1.201 53 L CA -0.391 54.512 54.840 0.104 0.000 1.015 53 L CB 0.520 42.620 42.059 0.068 0.000 1.371 53 L HN 0.109 nan 8.230 nan 0.000 0.574 54 L N 1.140 122.438 121.223 0.126 0.000 2.042 54 L HA -0.147 4.193 4.340 0.000 0.000 0.210 54 L C 2.654 179.601 176.870 0.129 0.000 1.076 54 L CA 2.120 57.027 54.840 0.112 0.000 0.749 54 L CB -0.855 41.261 42.059 0.095 0.000 0.893 54 L HN 0.315 nan 8.230 nan 0.000 0.432 55 A N -2.772 120.143 122.820 0.159 0.000 2.248 55 A HA -0.093 4.227 4.320 0.000 0.000 0.210 55 A C 2.255 179.970 177.584 0.218 0.000 1.174 55 A CA 1.674 53.799 52.037 0.147 0.000 0.750 55 A CB -0.557 18.477 19.000 0.057 0.000 0.780 55 A HN 0.416 nan 8.150 nan 0.000 0.478 56 T N -1.365 113.278 114.554 0.149 0.000 3.034 56 T HA 0.055 4.406 4.350 0.000 0.000 0.248 56 T C 1.973 176.658 174.700 -0.025 0.000 1.040 56 T CA 0.292 62.417 62.100 0.042 0.000 1.107 56 T CB -0.064 68.839 68.868 0.058 0.000 0.932 56 T HN 0.528 nan 8.240 nan 0.000 0.474 57 R N 0.760 121.297 120.500 0.062 0.000 2.119 57 R HA -0.192 4.148 4.340 0.000 0.000 0.246 57 R C 2.182 178.497 176.300 0.025 0.000 1.146 57 R CA 2.260 58.387 56.100 0.045 0.000 0.962 57 R CB -0.451 29.893 30.300 0.073 0.000 0.863 57 R HN 0.716 nan 8.270 nan 0.000 0.442 58 H N -0.880 118.189 119.070 -0.002 0.000 2.491 58 H HA 0.016 4.572 4.556 0.000 0.000 0.290 58 H C 1.706 177.030 175.328 -0.007 0.000 1.050 58 H CA 0.944 56.986 56.048 -0.009 0.000 1.309 58 H CB -0.224 29.530 29.762 -0.013 0.000 1.392 58 H HN 0.139 nan 8.280 nan 0.000 0.554 59 L N 1.078 121.979 121.223 -0.537 0.000 2.341 59 L HA 0.021 4.361 4.340 0.000 0.000 0.214 59 L C 1.453 178.230 176.870 -0.154 0.000 1.115 59 L CA 0.463 55.085 54.840 -0.364 0.000 0.820 59 L CB 0.263 42.084 42.059 -0.398 0.000 0.944 59 L HN 0.437 nan 8.230 nan 0.000 0.452 60 V N -3.722 116.124 119.914 -0.113 0.000 3.342 60 V HA 0.547 4.667 4.120 0.000 0.000 0.322 60 V C 1.129 177.198 176.094 -0.041 0.000 1.370 60 V CA 0.271 62.535 62.300 -0.060 0.000 1.170 60 V CB -0.296 31.501 31.823 -0.043 0.000 1.101 60 V HN 0.421 nan 8.190 nan 0.000 0.442 61 G N 0.653 109.431 108.800 -0.036 0.000 2.157 61 G HA2 -0.245 3.715 3.960 0.000 0.000 0.239 61 G HA3 -0.245 3.715 3.960 0.000 0.000 0.239 61 G C -0.131 174.754 174.900 -0.026 0.000 0.982 61 G CA 0.203 45.290 45.100 -0.022 0.000 0.650 61 G HN 0.751 nan 8.290 nan 0.000 0.527 62 D N 1.281 121.669 120.400 -0.020 0.000 2.443 62 D HA 0.467 5.107 4.640 0.000 0.000 0.221 62 D C 0.794 177.091 176.300 -0.005 0.000 1.097 62 D CA -0.242 53.737 54.000 -0.036 0.000 0.865 62 D CB 0.613 41.398 40.800 -0.026 0.000 1.034 62 D HN 0.213 nan 8.370 nan 0.000 0.511 63 D N 2.433 122.814 120.400 -0.032 0.000 2.424 63 D HA 0.167 4.807 4.640 0.000 0.000 0.220 63 D C 1.336 177.623 176.300 -0.022 0.000 1.150 63 D CA 0.021 54.019 54.000 -0.003 0.000 0.831 63 D CB -0.120 40.683 40.800 0.005 0.000 0.981 63 D HN 0.565 nan 8.370 nan 0.000 0.500 64 G N 0.835 109.592 108.800 -0.071 0.000 2.162 64 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 64 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 64 G C 0.487 175.375 174.900 -0.019 0.000 0.976 64 G CA 0.721 45.814 45.100 -0.012 0.000 0.655 64 G HN 0.766 nan 8.290 nan 0.000 0.533 65 T N -1.793 112.673 114.554 -0.146 0.000 2.922 65 T HA 0.698 5.048 4.350 0.000 0.000 0.285 65 T C -0.547 173.978 174.700 -0.291 0.000 1.005 65 T CA -0.535 61.529 62.100 -0.060 0.000 1.061 65 T CB 2.108 70.968 68.868 -0.012 0.000 1.007 65 T HN 0.494 nan 8.240 nan 0.000 0.502 66 Y N -0.171 120.157 120.300 0.046 0.000 2.479 66 Y HA 0.591 5.142 4.550 0.000 0.000 0.338 66 Y C -0.642 175.287 175.900 0.049 0.000 1.055 66 Y CA -1.113 57.019 58.100 0.053 0.000 1.023 66 Y CB 2.376 40.860 38.460 0.040 0.000 1.287 66 Y HN 0.654 nan 8.280 nan 0.000 0.447 67 V N 1.738 121.770 119.914 0.196 0.000 2.925 67 V HA 0.541 4.662 4.120 0.000 0.000 0.311 67 V C -0.353 175.806 176.094 0.109 0.000 1.104 67 V CA -1.214 61.167 62.300 0.134 0.000 0.954 67 V CB 2.195 34.090 31.823 0.119 0.000 1.022 67 V HN 0.839 nan 8.190 nan 0.000 0.427 68 S N 2.520 118.262 115.700 0.070 0.000 2.600 68 S HA 0.507 4.977 4.470 0.000 0.000 0.265 68 S C 1.345 175.980 174.600 0.057 0.000 1.325 68 S CA 0.224 58.445 58.200 0.034 0.000 1.002 68 S CB 1.444 64.656 63.200 0.019 0.000 0.921 68 S HN 1.369 nan 8.310 nan 0.000 0.554 69 A N 1.142 123.986 122.820 0.040 0.000 1.933 69 A HA -0.068 4.252 4.320 0.000 0.000 0.218 69 A C 2.320 179.941 177.584 0.062 0.000 1.175 69 A CA 1.435 53.511 52.037 0.066 0.000 0.628 69 A CB -0.732 18.301 19.000 0.055 0.000 0.814 69 A HN 0.909 nan 8.150 nan 0.000 0.444 70 R N -0.607 119.920 120.500 0.046 0.000 2.073 70 R HA -0.136 4.204 4.340 0.000 0.000 0.229 70 R C 2.165 178.498 176.300 0.055 0.000 1.120 70 R CA 1.612 57.739 56.100 0.045 0.000 0.967 70 R CB -0.166 30.152 30.300 0.030 0.000 0.862 70 R HN 0.559 nan 8.270 nan 0.000 0.436 71 E N 0.689 120.923 120.200 0.057 0.000 2.110 71 E HA -0.150 4.201 4.350 0.000 0.000 0.193 71 E C 1.780 178.437 176.600 0.094 0.000 0.988 71 E CA 1.206 57.643 56.400 0.061 0.000 0.804 71 E CB -0.099 29.634 29.700 0.055 0.000 0.745 71 E HN 0.244 nan 8.360 nan 0.000 0.458 72 I N 0.607 121.254 120.570 0.128 0.000 2.226 72 I HA -0.232 3.938 4.170 0.000 0.000 0.245 72 I C 2.419 178.669 176.117 0.221 0.000 1.100 72 I CA 1.429 62.857 61.300 0.213 0.000 1.374 72 I CB -1.389 36.711 38.000 0.167 0.000 1.057 72 I HN 0.221 nan 8.210 nan 0.000 0.413 73 S N 0.736 116.515 115.700 0.132 0.000 2.383 73 S HA -0.215 4.255 4.470 0.000 0.000 0.229 73 S C 1.777 176.439 174.600 0.104 0.000 1.030 73 S CA 1.940 60.206 58.200 0.109 0.000 1.002 73 S CB -0.123 63.119 63.200 0.071 0.000 0.829 73 S HN 0.688 nan 8.310 nan 0.000 0.467 74 E N -0.466 119.782 120.200 0.080 0.000 2.364 74 E HA 0.087 4.437 4.350 0.000 0.000 0.196 74 E C 1.630 178.238 176.600 0.014 0.000 0.990 74 E CA 0.237 56.664 56.400 0.044 0.000 0.886 74 E CB -0.604 29.113 29.700 0.027 0.000 0.866 74 E HN 0.579 nan 8.360 nan 0.000 0.493 75 N N 0.189 118.895 118.700 0.010 0.000 2.069 75 N HA -0.150 4.590 4.740 0.000 0.000 0.191 75 N C 0.802 176.152 175.510 -0.267 0.000 1.031 75 N CA 1.422 54.394 53.050 -0.131 0.000 0.852 75 N CB -0.108 38.288 38.487 -0.151 0.000 1.018 75 N HN 0.184 nan 8.380 nan 0.000 0.423 76 Y N -0.478 119.829 120.300 0.012 0.000 2.458 76 Y HA 0.271 4.821 4.550 0.000 0.000 0.256 76 Y C 1.379 177.283 175.900 0.008 0.000 1.159 76 Y CA -0.080 58.026 58.100 0.010 0.000 1.261 76 Y CB 0.601 39.068 38.460 0.013 0.000 1.119 76 Y HN 0.004 nan 8.280 nan 0.000 0.524 77 G N 1.523 110.390 108.800 0.112 0.000 2.295 77 G HA2 -0.201 3.759 3.960 0.000 0.000 0.287 77 G HA3 -0.201 3.759 3.960 0.000 0.000 0.287 77 G C -0.105 174.843 174.900 0.079 0.000 1.055 77 G CA 0.420 45.563 45.100 0.072 0.000 0.922 77 G HN 0.441 nan 8.290 nan 0.000 0.503 78 V N -3.211 116.759 119.914 0.094 0.000 3.046 78 V HA 0.843 4.964 4.120 0.000 0.000 0.316 78 V C 0.297 176.425 176.094 0.056 0.000 1.104 78 V CA -1.092 61.251 62.300 0.071 0.000 1.006 78 V CB 2.039 33.905 31.823 0.071 0.000 1.058 78 V HN 0.265 nan 8.190 nan 0.000 0.440 79 D N 0.734 121.160 120.400 0.044 0.000 2.425 79 D HA 0.149 4.790 4.640 0.000 0.000 0.247 79 D C 0.620 176.943 176.300 0.038 0.000 1.147 79 D CA -0.012 54.010 54.000 0.037 0.000 0.879 79 D CB 1.433 42.252 40.800 0.032 0.000 1.179 79 D HN 0.694 nan 8.370 nan 0.000 0.456 80 L N 3.978 125.223 121.223 0.036 0.000 2.095 80 L HA 0.014 4.355 4.340 0.000 0.000 0.204 80 L C 1.869 178.759 176.870 0.034 0.000 1.080 80 L CA 1.638 56.501 54.840 0.037 0.000 0.759 80 L CB -0.738 41.341 42.059 0.034 0.000 0.914 80 L HN 0.606 nan 8.230 nan 0.000 0.439 81 E N -0.173 120.044 120.200 0.028 0.000 2.051 81 E HA -0.260 4.090 4.350 0.000 0.000 0.192 81 E C 2.095 178.711 176.600 0.026 0.000 0.991 81 E CA 1.920 58.335 56.400 0.025 0.000 0.799 81 E CB -0.673 29.039 29.700 0.021 0.000 0.748 81 E HN 0.416 nan 8.360 nan 0.000 0.449 82 L N -0.008 121.230 121.223 0.026 0.000 2.046 82 L HA -0.051 4.289 4.340 0.000 0.000 0.208 82 L C 2.328 179.213 176.870 0.025 0.000 1.077 82 L CA 1.657 56.513 54.840 0.025 0.000 0.747 82 L CB -0.756 41.320 42.059 0.028 0.000 0.896 82 L HN 0.384 nan 8.230 nan 0.000 0.432 83 L N -0.530 120.710 121.223 0.029 0.000 2.012 83 L HA -0.276 4.064 4.340 0.000 0.000 0.210 83 L C 2.494 179.384 176.870 0.034 0.000 1.073 83 L CA 1.940 56.797 54.840 0.027 0.000 0.748 83 L CB -0.638 41.441 42.059 0.034 0.000 0.891 83 L HN 0.410 nan 8.230 nan 0.000 0.431 84 Q N -0.973 118.852 119.800 0.042 0.000 2.170 84 Q HA -0.242 4.099 4.340 0.000 0.000 0.203 84 Q C 2.409 178.433 176.000 0.039 0.000 0.976 84 Q CA 1.692 57.527 55.803 0.053 0.000 0.858 84 Q CB -0.125 28.642 28.738 0.048 0.000 0.907 84 Q HN 0.465 nan 8.270 nan 0.000 0.433 85 R N -0.279 120.237 120.500 0.026 0.000 2.075 85 R HA -0.103 4.238 4.340 0.000 0.000 0.232 85 R C 2.096 178.401 176.300 0.008 0.000 1.126 85 R CA 0.974 57.084 56.100 0.017 0.000 0.963 85 R CB 0.012 30.320 30.300 0.014 0.000 0.858 85 R HN 0.073 nan 8.270 nan 0.000 0.435 86 V N 0.942 120.860 119.914 0.006 0.000 2.343 86 V HA -0.252 3.868 4.120 0.000 0.000 0.247 86 V C 2.223 178.306 176.094 -0.018 0.000 1.051 86 V CA 1.781 64.076 62.300 -0.007 0.000 1.036 86 V CB -0.480 31.340 31.823 -0.004 0.000 0.654 86 V HN 0.432 nan 8.190 nan 0.000 0.451 87 Q N -0.389 119.405 119.800 -0.011 0.000 2.084 87 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 87 Q C 2.516 178.500 176.000 -0.026 0.000 0.978 87 Q CA 1.609 57.393 55.803 -0.032 0.000 0.844 87 Q CB -0.196 28.547 28.738 0.008 0.000 0.898 87 Q HN 0.599 nan 8.270 nan 0.000 0.426 88 R N 0.024 120.528 120.500 0.007 0.000 2.075 88 R HA -0.068 4.272 4.340 0.000 0.000 0.232 88 R C 2.260 178.555 176.300 -0.009 0.000 1.126 88 R CA 1.104 57.209 56.100 0.009 0.000 0.963 88 R CB -0.322 29.990 30.300 0.020 0.000 0.858 88 R HN 0.178 nan 8.270 nan 0.000 0.435 89 A N 1.160 123.971 122.820 -0.014 0.000 1.969 89 A HA -0.106 4.214 4.320 0.000 0.000 0.218 89 A C 2.286 179.849 177.584 -0.034 0.000 1.169 89 A CA 1.551 53.575 52.037 -0.022 0.000 0.635 89 A CB -0.487 18.499 19.000 -0.023 0.000 0.810 89 A HN 0.254 nan 8.150 nan 0.000 0.445 90 V N -3.466 116.422 119.914 -0.043 0.000 3.217 90 V HA 0.405 4.525 4.120 0.000 0.000 0.264 90 V C 1.469 177.529 176.094 -0.056 0.000 1.135 90 V CA 0.965 63.232 62.300 -0.054 0.000 1.142 90 V CB -1.026 30.758 31.823 -0.064 0.000 0.754 90 V HN 1.536 nan 8.190 nan 0.000 0.484 91 G N 0.082 108.854 108.800 -0.046 0.000 2.131 91 G HA2 -0.186 3.774 3.960 0.000 0.000 0.201 91 G HA3 -0.186 3.774 3.960 0.000 0.000 0.201 91 G C -0.179 174.697 174.900 -0.040 0.000 1.000 91 G CA 0.128 45.206 45.100 -0.038 0.000 0.680 91 G HN 0.537 nan 8.290 nan 0.000 0.514 92 L N 0.592 121.776 121.223 -0.065 0.000 2.466 92 L HA 0.636 4.977 4.340 0.000 0.000 0.257 92 L C 1.508 178.384 176.870 0.010 0.000 1.189 92 L CA -0.299 54.486 54.840 -0.092 0.000 0.813 92 L CB 0.735 42.623 42.059 -0.285 0.000 1.118 92 L HN 0.394 nan 8.230 nan 0.000 0.471 93 A N 2.153 125.026 122.820 0.089 0.000 2.540 93 A HA 0.134 4.454 4.320 0.000 0.000 0.239 93 A C 0.101 177.813 177.584 0.213 0.000 1.061 93 A CA -0.019 52.111 52.037 0.156 0.000 0.758 93 A CB -0.108 19.002 19.000 0.182 0.000 0.991 93 A HN 0.701 nan 8.150 nan 0.000 0.502 94 R N 1.240 121.809 120.500 0.115 0.000 2.347 94 R HA 0.385 4.726 4.340 0.000 0.000 0.304 94 R C -1.125 175.211 176.300 0.061 0.000 1.072 94 R CA -0.142 56.013 56.100 0.091 0.000 0.980 94 R CB 0.766 31.096 30.300 0.051 0.000 0.986 94 R HN 0.410 nan 8.270 nan 0.000 0.448 95 V N 3.980 123.921 119.914 0.044 0.000 2.380 95 V HA 0.054 4.175 4.120 0.000 0.000 0.286 95 V C -0.162 175.925 176.094 -0.010 0.000 1.015 95 V CA -0.511 61.773 62.300 -0.027 0.000 0.834 95 V CB 1.428 33.157 31.823 -0.157 0.000 1.009 95 V HN 0.724 nan 8.190 nan 0.000 0.428 96 D N 1.334 121.730 120.400 -0.006 0.000 2.123 96 D HA -0.065 4.575 4.640 0.000 0.000 0.200 96 D C 0.901 177.198 176.300 -0.005 0.000 0.976 96 D CA 1.146 55.146 54.000 -0.000 0.000 0.831 96 D CB 0.113 40.913 40.800 0.001 0.000 0.974 96 D HN 0.560 nan 8.370 nan 0.000 0.469 97 D N 0.328 120.718 120.400 -0.016 0.000 2.338 97 D HA 0.032 4.672 4.640 0.000 0.000 0.255 97 D C -1.602 174.686 176.300 -0.020 0.000 1.237 97 D CA -1.838 52.152 54.000 -0.016 0.000 0.883 97 D CB 1.378 42.165 40.800 -0.021 0.000 1.087 97 D HN 0.012 nan 8.370 nan 0.000 0.485 98 P HA -0.024 nan 4.420 nan 0.000 0.233 98 P C 0.274 177.573 177.300 -0.001 0.000 1.167 98 P CA 0.569 63.669 63.100 -0.001 0.000 0.770 98 P CB 0.602 32.309 31.700 0.011 0.000 0.837 99 D N -0.373 120.024 120.400 -0.005 0.000 2.367 99 D HA 0.116 4.756 4.640 0.000 0.000 0.207 99 D C 0.864 177.157 176.300 -0.012 0.000 1.034 99 D CA 0.107 54.105 54.000 -0.003 0.000 0.861 99 D CB 0.241 41.040 40.800 -0.001 0.000 0.943 99 D HN 0.088 nan 8.370 nan 0.000 0.515 100 A N 1.357 124.161 122.820 -0.027 0.000 2.488 100 A HA 0.290 4.610 4.320 0.000 0.000 0.249 100 A C 0.561 178.116 177.584 -0.048 0.000 1.083 100 A CA -0.358 51.655 52.037 -0.040 0.000 0.768 100 A CB 0.348 19.315 19.000 -0.054 0.000 1.017 100 A HN 0.040 nan 8.150 nan 0.000 0.496 101 V N 2.894 122.788 119.914 -0.033 0.000 2.322 101 V HA 0.469 4.589 4.120 0.000 0.000 0.258 101 V C 0.350 176.427 176.094 -0.028 0.000 1.074 101 V CA -0.124 62.171 62.300 -0.007 0.000 0.909 101 V CB -0.014 31.823 31.823 0.024 0.000 1.090 101 V HN 0.592 nan 8.190 nan 0.000 0.486 102 V N 3.338 123.229 119.914 -0.038 0.000 3.102 102 V HA 0.233 4.353 4.120 0.000 0.000 0.225 102 V C 0.903 177.094 176.094 0.162 0.000 1.301 102 V CA 0.407 62.681 62.300 -0.044 0.000 1.308 102 V CB -0.236 31.481 31.823 -0.177 0.000 1.129 102 V HN 0.822 nan 8.190 nan 0.000 0.502 103 H N 0.529 119.701 119.070 0.170 0.000 2.679 103 H HA 0.381 4.937 4.556 0.000 0.000 0.369 103 H C 0.255 175.703 175.328 0.200 0.000 1.178 103 H CA -0.046 56.101 56.048 0.164 0.000 1.419 103 H CB 0.226 30.036 29.762 0.080 0.000 1.458 103 H HN 0.223 nan 8.280 nan 0.000 0.605 104 M N 1.488 121.193 119.600 0.175 0.000 2.248 104 M HA 0.005 4.485 4.480 0.000 0.000 0.337 104 M C 1.987 178.258 176.300 -0.048 0.000 1.121 104 M CA 0.354 55.550 55.300 -0.174 0.000 1.155 104 M CB 0.907 33.377 32.600 -0.216 0.000 1.514 104 M HN 0.610 nan 8.290 nan 0.000 0.452 105 R N 2.184 122.629 120.500 -0.093 0.000 2.083 105 R HA -0.182 4.158 4.340 0.000 0.000 0.237 105 R C 1.907 178.210 176.300 0.005 0.000 1.137 105 R CA 2.226 58.327 56.100 0.002 0.000 0.951 105 R CB -0.302 30.002 30.300 0.006 0.000 0.851 105 R HN 0.896 nan 8.270 nan 0.000 0.434 106 A N 1.085 123.886 122.820 -0.032 0.000 1.940 106 A HA -0.206 4.114 4.320 0.000 0.000 0.219 106 A C 1.673 179.229 177.584 -0.047 0.000 1.176 106 A CA 1.961 53.980 52.037 -0.030 0.000 0.631 106 A CB -0.559 18.418 19.000 -0.039 0.000 0.814 106 A HN 0.449 nan 8.150 nan 0.000 0.446 107 D N -0.400 119.967 120.400 -0.056 0.000 2.117 107 D HA -0.088 4.552 4.640 0.000 0.000 0.197 107 D C 2.091 178.341 176.300 -0.084 0.000 0.987 107 D CA 1.495 55.442 54.000 -0.088 0.000 0.829 107 D CB -0.694 40.028 40.800 -0.130 0.000 0.961 107 D HN 0.449 nan 8.370 nan 0.000 0.460 108 G N 0.957 109.746 108.800 -0.019 0.000 2.402 108 G HA2 -0.277 3.684 3.960 0.000 0.000 0.216 108 G HA3 -0.277 3.684 3.960 0.000 0.000 0.216 108 G C 1.412 176.259 174.900 -0.088 0.000 1.162 108 G CA 0.867 45.973 45.100 0.010 0.000 0.777 108 G HN 0.396 nan 8.290 nan 0.000 0.539 109 E N 0.839 120.965 120.200 -0.124 0.000 2.106 109 E HA 0.008 4.358 4.350 0.000 0.000 0.192 109 E C 2.591 179.016 176.600 -0.291 0.000 0.984 109 E CA 1.049 57.243 56.400 -0.344 0.000 0.806 109 E CB -0.316 29.285 29.700 -0.164 0.000 0.750 109 E HN 0.301 nan 8.360 nan 0.000 0.458 110 A N 1.552 124.283 122.820 -0.148 0.000 1.933 110 A HA -0.027 4.293 4.320 0.000 0.000 0.218 110 A C 2.456 179.985 177.584 -0.092 0.000 1.175 110 A CA 1.744 53.722 52.037 -0.099 0.000 0.628 110 A CB -0.741 18.220 19.000 -0.065 0.000 0.814 110 A HN 0.441 nan 8.150 nan 0.000 0.444 111 A N -0.340 122.421 122.820 -0.099 0.000 2.015 111 A HA 0.230 4.550 4.320 0.000 0.000 0.219 111 A C 2.354 179.894 177.584 -0.074 0.000 1.163 111 A CA 1.724 53.721 52.037 -0.068 0.000 0.646 111 A CB -0.731 18.236 19.000 -0.054 0.000 0.806 111 A HN 1.008 nan 8.150 nan 0.000 0.448 112 A N -0.082 122.639 122.820 -0.165 0.000 2.014 112 A HA -0.075 4.245 4.320 0.000 0.000 0.218 112 A C 2.100 179.612 177.584 -0.120 0.000 1.163 112 A CA 1.030 52.951 52.037 -0.193 0.000 0.652 112 A CB -0.395 18.309 19.000 -0.492 0.000 0.808 112 A HN 0.549 nan 8.150 nan 0.000 0.449 113 R N -0.280 120.160 120.500 -0.100 0.000 2.193 113 R HA -0.060 4.281 4.340 0.000 0.000 0.229 113 R C 2.247 178.600 176.300 0.089 0.000 1.110 113 R CA 0.891 56.981 56.100 -0.017 0.000 0.988 113 R CB -0.407 29.907 30.300 0.023 0.000 0.871 113 R HN 0.510 nan 8.270 nan 0.000 0.458 114 A N 1.046 123.939 122.820 0.121 0.000 1.972 114 A HA -0.241 4.079 4.320 0.000 0.000 0.219 114 A C 2.076 179.777 177.584 0.195 0.000 1.169 114 A CA 1.235 53.404 52.037 0.221 0.000 0.635 114 A CB -0.363 18.698 19.000 0.102 0.000 0.810 114 A HN 0.324 nan 8.150 nan 0.000 0.446 115 Q N -0.794 119.059 119.800 0.088 0.000 2.226 115 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 115 Q C 2.225 178.246 176.000 0.035 0.000 0.975 115 Q CA 0.971 56.811 55.803 0.063 0.000 0.866 115 Q CB -0.066 28.696 28.738 0.039 0.000 0.915 115 Q HN 0.474 nan 8.270 nan 0.000 0.440 116 R N -0.398 120.083 120.500 -0.032 0.000 2.091 116 R HA -0.156 4.184 4.340 0.000 0.000 0.238 116 R C 1.912 178.109 176.300 -0.171 0.000 1.136 116 R CA 1.404 57.413 56.100 -0.150 0.000 0.959 116 R CB -0.488 29.636 30.300 -0.293 0.000 0.856 116 R HN 0.358 nan 8.270 nan 0.000 0.437 117 F N -0.193 119.759 119.950 0.004 0.000 2.234 117 F HA -0.143 4.385 4.527 0.000 0.000 0.299 117 F C 2.468 178.269 175.800 0.003 0.000 1.087 117 F CA 0.737 58.739 58.000 0.003 0.000 1.340 117 F CB -0.555 38.444 39.000 -0.000 0.000 1.031 117 F HN -0.226 nan 8.300 nan 0.000 0.500 118 V N -0.260 119.758 119.914 0.173 0.000 2.453 118 V HA -0.217 3.903 4.120 0.000 0.000 0.247 118 V C 1.939 178.068 176.094 0.059 0.000 1.048 118 V CA 1.705 64.065 62.300 0.100 0.000 1.049 118 V CB -0.595 31.275 31.823 0.078 0.000 0.672 118 V HN 0.292 nan 8.190 nan 0.000 0.457 119 E N 0.166 120.388 120.200 0.036 0.000 2.338 119 E HA -0.079 4.271 4.350 0.000 0.000 0.197 119 E C 1.910 178.517 176.600 0.011 0.000 1.007 119 E CA 0.691 57.100 56.400 0.015 0.000 0.849 119 E CB -0.096 29.603 29.700 -0.001 0.000 0.774 119 E HN 0.539 nan 8.360 nan 0.000 0.506 120 L N -0.809 120.424 121.223 0.017 0.000 2.554 120 L HA 0.147 4.488 4.340 0.000 0.000 0.226 120 L C 1.370 178.261 176.870 0.035 0.000 1.137 120 L CA 0.461 55.313 54.840 0.019 0.000 0.863 120 L CB 0.172 42.242 42.059 0.019 0.000 0.985 120 L HN 0.281 nan 8.230 nan 0.000 0.451 121 G N -0.066 108.759 108.800 0.042 0.000 2.154 121 G HA2 -0.185 3.775 3.960 0.000 0.000 0.186 121 G HA3 -0.185 3.775 3.960 0.000 0.000 0.186 121 G C 0.048 174.974 174.900 0.043 0.000 1.000 121 G CA -0.614 44.508 45.100 0.037 0.000 0.664 121 G HN 0.127 nan 8.290 nan 0.000 0.513 122 L N 0.698 121.959 121.223 0.064 0.000 2.371 122 L HA 0.343 4.683 4.340 0.000 0.000 0.272 122 L C 0.927 177.824 176.870 0.045 0.000 1.124 122 L CA -0.713 54.162 54.840 0.059 0.000 0.816 122 L CB 0.986 43.098 42.059 0.088 0.000 1.129 122 L HN 0.285 nan 8.230 nan 0.000 0.448 123 N N 2.930 121.647 118.700 0.027 0.000 2.452 123 N HA 0.041 4.782 4.740 0.000 0.000 0.266 123 N C -1.744 173.776 175.510 0.018 0.000 1.209 123 N CA -1.057 52.005 53.050 0.019 0.000 0.929 123 N CB 1.073 39.566 38.487 0.010 0.000 1.063 123 N HN 0.322 nan 8.380 nan 0.000 0.472 124 P HA -0.194 nan 4.420 nan 0.000 0.216 124 P C 0.389 177.692 177.300 0.006 0.000 1.153 124 P CA 1.130 64.241 63.100 0.019 0.000 0.858 124 P CB 0.197 31.910 31.700 0.021 0.000 0.789 125 D N -0.621 119.781 120.400 0.003 0.000 2.133 125 D HA -0.196 4.445 4.640 0.000 0.000 0.195 125 D C 2.012 178.305 176.300 -0.012 0.000 0.997 125 D CA 1.241 55.239 54.000 -0.003 0.000 0.840 125 D CB -0.445 40.355 40.800 -0.001 0.000 0.947 125 D HN 0.368 nan 8.370 nan 0.000 0.452 126 Q N -0.011 119.781 119.800 -0.013 0.000 2.245 126 Q HA -0.018 4.322 4.340 0.000 0.000 0.201 126 Q C 2.403 178.375 176.000 -0.048 0.000 0.955 126 Q CA 0.258 56.045 55.803 -0.026 0.000 0.870 126 Q CB 0.398 29.124 28.738 -0.021 0.000 0.945 126 Q HN 0.135 nan 8.270 nan 0.000 0.461 127 V N 0.192 120.079 119.914 -0.044 0.000 2.307 127 V HA -0.230 3.890 4.120 0.000 0.000 0.245 127 V C 2.237 178.285 176.094 -0.077 0.000 1.045 127 V CA 1.382 63.634 62.300 -0.080 0.000 1.024 127 V CB -0.433 31.372 31.823 -0.030 0.000 0.651 127 V HN 0.162 nan 8.190 nan 0.000 0.449 128 V N -0.347 119.543 119.914 -0.041 0.000 2.282 128 V HA -0.299 3.821 4.120 0.000 0.000 0.249 128 V C 2.390 178.458 176.094 -0.043 0.000 1.057 128 V CA 2.343 64.622 62.300 -0.034 0.000 1.032 128 V CB -0.574 31.239 31.823 -0.017 0.000 0.645 128 V HN 0.485 nan 8.190 nan 0.000 0.447 129 L N -0.472 120.726 121.223 -0.040 0.000 2.046 129 L HA -0.126 4.214 4.340 0.000 0.000 0.208 129 L C 2.352 179.190 176.870 -0.054 0.000 1.077 129 L CA 1.680 56.496 54.840 -0.039 0.000 0.747 129 L CB -0.367 41.673 42.059 -0.031 0.000 0.896 129 L HN 0.123 nan 8.230 nan 0.000 0.432 130 V N -1.480 118.388 119.914 -0.077 0.000 2.287 130 V HA -0.304 3.816 4.120 0.000 0.000 0.248 130 V C 2.441 178.476 176.094 -0.098 0.000 1.053 130 V CA 1.726 63.967 62.300 -0.099 0.000 1.027 130 V CB -0.419 31.311 31.823 -0.155 0.000 0.646 130 V HN 0.305 nan 8.190 nan 0.000 0.447 131 V N -0.119 119.734 119.914 -0.102 0.000 2.343 131 V HA -0.288 3.832 4.120 0.000 0.000 0.247 131 V C 2.612 178.669 176.094 -0.063 0.000 1.051 131 V CA 2.532 64.781 62.300 -0.086 0.000 1.036 131 V CB -0.691 31.087 31.823 -0.075 0.000 0.654 131 V HN 0.538 nan 8.190 nan 0.000 0.451 132 R N -0.243 120.225 120.500 -0.053 0.000 2.083 132 R HA -0.150 4.190 4.340 0.000 0.000 0.237 132 R C 2.150 178.424 176.300 -0.044 0.000 1.137 132 R CA 2.084 58.158 56.100 -0.043 0.000 0.951 132 R CB -0.346 29.934 30.300 -0.033 0.000 0.851 132 R HN 0.398 nan 8.270 nan 0.000 0.434 133 V N 1.226 121.116 119.914 -0.040 0.000 2.358 133 V HA -0.207 3.913 4.120 0.000 0.000 0.246 133 V C 2.265 178.338 176.094 -0.034 0.000 1.047 133 V CA 1.331 63.613 62.300 -0.030 0.000 1.035 133 V CB -0.507 31.301 31.823 -0.024 0.000 0.658 133 V HN 0.322 nan 8.190 nan 0.000 0.452 134 L N 0.891 122.088 121.223 -0.043 0.000 2.093 134 L HA -0.037 4.303 4.340 0.000 0.000 0.208 134 L C 2.457 179.298 176.870 -0.048 0.000 1.085 134 L CA 2.197 57.013 54.840 -0.040 0.000 0.755 134 L CB -0.935 41.095 42.059 -0.048 0.000 0.904 134 L HN 0.231 nan 8.230 nan 0.000 0.435 135 A N -0.799 121.986 122.820 -0.058 0.000 1.902 135 A HA -0.264 4.056 4.320 0.000 0.000 0.217 135 A C 2.301 179.823 177.584 -0.103 0.000 1.181 135 A CA 1.726 53.721 52.037 -0.070 0.000 0.623 135 A CB -0.651 18.309 19.000 -0.066 0.000 0.818 135 A HN 0.613 nan 8.150 nan 0.000 0.443 136 E N -0.402 119.730 120.200 -0.113 0.000 2.047 136 E HA -0.077 4.273 4.350 0.000 0.000 0.191 136 E C 2.050 178.493 176.600 -0.261 0.000 0.987 136 E CA 1.231 57.511 56.400 -0.200 0.000 0.799 136 E CB -0.579 29.050 29.700 -0.118 0.000 0.752 136 E HN 0.427 nan 8.360 nan 0.000 0.449 137 G N 1.109 109.859 108.800 -0.083 0.000 2.440 137 G HA2 -0.247 3.714 3.960 0.000 0.000 0.218 137 G HA3 -0.247 3.714 3.960 0.000 0.000 0.218 137 G C 1.566 176.460 174.900 -0.010 0.000 1.154 137 G CA 0.957 46.062 45.100 0.009 0.000 0.767 137 G HN 0.256 nan 8.290 nan 0.000 0.552 138 L N 1.467 122.663 121.223 -0.045 0.000 2.240 138 L HA -0.018 4.323 4.340 0.000 0.000 0.211 138 L C 3.217 180.059 176.870 -0.045 0.000 1.106 138 L CA 1.118 55.942 54.840 -0.027 0.000 0.793 138 L CB -0.191 41.852 42.059 -0.027 0.000 0.927 138 L HN 0.409 nan 8.230 nan 0.000 0.446 139 S N -1.497 114.131 115.700 -0.120 0.000 2.383 139 S HA -0.199 4.271 4.470 0.000 0.000 0.227 139 S C 1.742 176.304 174.600 -0.064 0.000 1.026 139 S CA 0.938 59.062 58.200 -0.126 0.000 0.981 139 S CB -0.640 62.442 63.200 -0.195 0.000 0.818 139 S HN 0.518 nan 8.310 nan 0.000 0.472 140 H N 1.645 120.721 119.070 0.011 0.000 2.389 140 H HA 0.211 4.768 4.556 0.000 0.000 0.299 140 H C 2.622 177.961 175.328 0.019 0.000 1.081 140 H CA 0.875 56.932 56.048 0.015 0.000 1.345 140 H CB -0.275 29.496 29.762 0.015 0.000 1.393 140 H HN 0.575 nan 8.280 nan 0.000 0.520 141 A N 1.295 124.192 122.820 0.129 0.000 1.883 141 A HA -0.181 4.139 4.320 0.000 0.000 0.217 141 A C 2.545 180.165 177.584 0.060 0.000 1.186 141 A CA 1.559 53.643 52.037 0.079 0.000 0.624 141 A CB -1.050 17.982 19.000 0.052 0.000 0.822 141 A HN 0.475 nan 8.150 nan 0.000 0.444 142 A N -0.305 122.541 122.820 0.043 0.000 1.933 142 A HA -0.185 4.136 4.320 0.000 0.000 0.218 142 A C 1.903 179.517 177.584 0.050 0.000 1.175 142 A CA 1.710 53.767 52.037 0.034 0.000 0.628 142 A CB -0.556 18.453 19.000 0.015 0.000 0.814 142 A HN 0.656 nan 8.150 nan 0.000 0.444 143 E N -0.313 119.927 120.200 0.067 0.000 2.077 143 E HA -0.131 4.219 4.350 0.000 0.000 0.193 143 E C 2.254 178.908 176.600 0.089 0.000 0.989 143 E CA 1.032 57.478 56.400 0.077 0.000 0.800 143 E CB -0.278 29.480 29.700 0.096 0.000 0.746 143 E HN 0.631 nan 8.360 nan 0.000 0.452 144 A N 0.643 123.517 122.820 0.090 0.000 2.015 144 A HA -0.121 4.199 4.320 0.000 0.000 0.219 144 A C 2.067 179.705 177.584 0.091 0.000 1.163 144 A CA 1.025 53.121 52.037 0.099 0.000 0.646 144 A CB -0.324 18.725 19.000 0.082 0.000 0.806 144 A HN 0.141 nan 8.150 nan 0.000 0.448 145 M N -1.452 118.186 119.600 0.064 0.000 2.254 145 M HA -0.067 4.413 4.480 0.000 0.000 0.265 145 M C 2.309 178.634 176.300 0.041 0.000 1.066 145 M CA 1.229 56.553 55.300 0.039 0.000 1.123 145 M CB -0.200 32.416 32.600 0.026 0.000 1.388 145 M HN 0.453 nan 8.290 nan 0.000 0.425 146 R N -0.367 120.172 120.500 0.065 0.000 2.073 146 R HA -0.217 4.124 4.340 0.000 0.000 0.234 146 R C 2.241 178.610 176.300 0.114 0.000 1.134 146 R CA 1.772 57.916 56.100 0.074 0.000 0.952 146 R CB -0.325 30.021 30.300 0.077 0.000 0.850 146 R HN 0.330 nan 8.270 nan 0.000 0.433 147 Y N 1.298 121.598 120.300 -0.000 0.000 2.200 147 Y HA -0.112 4.438 4.550 0.000 0.000 0.290 147 Y C 2.128 178.021 175.900 -0.012 0.000 1.137 147 Y CA 1.849 59.945 58.100 -0.007 0.000 1.163 147 Y CB -0.522 37.932 38.460 -0.010 0.000 0.988 147 Y HN 0.028 nan 8.280 nan 0.000 0.518 148 T N 0.697 115.168 114.554 -0.137 0.000 2.684 148 T HA -0.236 4.114 4.350 0.000 0.000 0.267 148 T C 2.159 176.754 174.700 -0.175 0.000 1.036 148 T CA 1.772 63.745 62.100 -0.210 0.000 1.148 148 T CB -0.844 67.972 68.868 -0.087 0.000 0.863 148 T HN 0.444 nan 8.240 nan 0.000 0.436 149 A N 1.120 123.887 122.820 -0.088 0.000 1.877 149 A HA 0.014 4.334 4.320 0.000 0.000 0.216 149 A C 2.187 179.730 177.584 -0.068 0.000 1.186 149 A CA 1.167 53.168 52.037 -0.060 0.000 0.620 149 A CB -0.785 18.202 19.000 -0.022 0.000 0.822 149 A HN 0.344 nan 8.150 nan 0.000 0.443 150 L N -0.181 121.009 121.223 -0.054 0.000 2.131 150 L HA -0.132 4.209 4.340 0.000 0.000 0.210 150 L C 2.352 179.167 176.870 -0.091 0.000 1.092 150 L CA 2.215 57.037 54.840 -0.029 0.000 0.759 150 L CB -0.734 41.366 42.059 0.069 0.000 0.903 150 L HN 0.662 nan 8.230 nan 0.000 0.435 151 E N -0.749 119.311 120.200 -0.234 0.000 2.107 151 E HA -0.150 4.200 4.350 0.000 0.000 0.191 151 E C 2.221 178.727 176.600 -0.155 0.000 0.982 151 E CA 0.917 57.159 56.400 -0.263 0.000 0.809 151 E CB 0.037 29.437 29.700 -0.501 0.000 0.756 151 E HN 0.418 nan 8.360 nan 0.000 0.459 152 A N 0.558 123.297 122.820 -0.137 0.000 1.897 152 A HA -0.074 4.246 4.320 0.000 0.000 0.215 152 A C 2.072 179.615 177.584 -0.068 0.000 1.181 152 A CA 1.095 53.077 52.037 -0.091 0.000 0.620 152 A CB -0.316 18.637 19.000 -0.078 0.000 0.821 152 A HN 0.321 nan 8.150 nan 0.000 0.443 153 I N -0.867 119.665 120.570 -0.062 0.000 2.628 153 I HA -0.005 4.165 4.170 0.000 0.000 0.255 153 I C 0.483 176.572 176.117 -0.047 0.000 1.119 153 I CA 0.295 61.564 61.300 -0.051 0.000 1.448 153 I CB -0.065 37.909 38.000 -0.044 0.000 1.133 153 I HN 0.157 nan 8.210 nan 0.000 0.438 154 M N 3.435 123.012 119.600 -0.040 0.000 2.821 154 M HA 0.158 4.638 4.480 0.000 0.000 0.305 154 M C -0.340 175.944 176.300 -0.028 0.000 1.466 154 M CA 0.683 55.967 55.300 -0.027 0.000 1.526 154 M CB -0.787 31.809 32.600 -0.007 0.000 1.321 154 M HN 0.101 nan 8.290 nan 0.000 0.492 155 R N 2.834 123.314 120.500 -0.032 0.000 2.598 155 R HA 0.586 4.926 4.340 0.000 0.000 0.279 155 R C -2.199 174.087 176.300 -0.023 0.000 0.984 155 R CA -1.697 54.386 56.100 -0.029 0.000 0.999 155 R CB 0.556 30.836 30.300 -0.034 0.000 1.114 155 R HN 0.316 nan 8.270 nan 0.000 0.493 156 P HA -0.043 nan 4.420 nan 0.000 0.264 156 P C 0.344 177.634 177.300 -0.017 0.000 1.183 156 P CA 0.502 63.593 63.100 -0.014 0.000 0.763 156 P CB 0.235 31.928 31.700 -0.011 0.000 0.807 157 G N 2.032 110.823 108.800 -0.015 0.000 2.295 157 G HA2 -0.085 3.875 3.960 0.000 0.000 0.287 157 G HA3 -0.085 3.875 3.960 0.000 0.000 0.287 157 G C 0.347 175.232 174.900 -0.025 0.000 1.055 157 G CA -0.013 45.077 45.100 -0.018 0.000 0.922 157 G HN 0.893 nan 8.290 nan 0.000 0.503 158 A N 0.343 123.146 122.820 -0.027 0.000 2.310 158 A HA 0.724 5.044 4.320 0.000 0.000 0.300 158 A C 0.782 178.342 177.584 -0.041 0.000 1.269 158 A CA 0.863 52.877 52.037 -0.038 0.000 0.909 158 A CB 0.567 19.544 19.000 -0.039 0.000 1.144 158 A HN 0.928 nan 8.150 nan 0.000 0.540 159 T N 0.918 115.442 114.554 -0.050 0.000 2.828 159 T HA 0.266 4.616 4.350 0.000 0.000 0.290 159 T C 1.528 176.186 174.700 -0.069 0.000 1.019 159 T CA 0.305 62.374 62.100 -0.051 0.000 1.031 159 T CB 0.518 69.356 68.868 -0.050 0.000 1.001 159 T HN 0.776 nan 8.240 nan 0.000 0.531 160 E N 2.653 122.816 120.200 -0.061 0.000 2.204 160 E HA -0.075 4.276 4.350 0.000 0.000 0.195 160 E C 2.024 178.547 176.600 -0.129 0.000 0.990 160 E CA 0.955 57.313 56.400 -0.070 0.000 0.821 160 E CB -0.620 29.056 29.700 -0.039 0.000 0.750 160 E HN 0.553 nan 8.360 nan 0.000 0.477 161 L N 0.639 121.769 121.223 -0.155 0.000 2.072 161 L HA -0.145 4.195 4.340 0.000 0.000 0.205 161 L C 1.590 178.254 176.870 -0.343 0.000 1.079 161 L CA 1.823 56.496 54.840 -0.277 0.000 0.752 161 L CB -0.306 41.624 42.059 -0.216 0.000 0.906 161 L HN 0.134 nan 8.230 nan 0.000 0.436 162 D N 0.224 120.495 120.400 -0.216 0.000 2.116 162 D HA -0.240 4.400 4.640 0.000 0.000 0.193 162 D C 2.173 178.364 176.300 -0.181 0.000 0.998 162 D CA 1.745 55.636 54.000 -0.182 0.000 0.836 162 D CB -0.020 40.712 40.800 -0.113 0.000 0.951 162 D HN 0.401 nan 8.370 nan 0.000 0.449 163 I N 1.221 121.701 120.570 -0.151 0.000 2.286 163 I HA -0.243 3.927 4.170 0.000 0.000 0.248 163 I C 2.588 178.618 176.117 -0.145 0.000 1.115 163 I CA 0.942 62.173 61.300 -0.116 0.000 1.392 163 I CB -0.133 37.822 38.000 -0.075 0.000 1.065 163 I HN -0.077 nan 8.210 nan 0.000 0.418 164 A N 0.602 123.278 122.820 -0.240 0.000 1.872 164 A HA -0.173 4.147 4.320 0.000 0.000 0.214 164 A C 2.329 179.646 177.584 -0.445 0.000 1.187 164 A CA 1.370 53.221 52.037 -0.309 0.000 0.614 164 A CB -0.382 18.356 19.000 -0.437 0.000 0.826 164 A HN 0.256 nan 8.150 nan 0.000 0.442 165 K N -0.691 119.305 120.400 -0.673 0.000 2.097 165 K HA -0.097 4.223 4.320 0.000 0.000 0.206 165 K C 2.088 178.613 176.600 -0.124 0.000 1.049 165 K CA 1.024 57.050 56.287 -0.435 0.000 0.933 165 K CB -0.395 31.850 32.500 -0.425 0.000 0.717 165 K HN 0.476 nan 8.250 nan 0.000 0.442 166 G N 0.474 109.195 108.800 -0.132 0.000 2.418 166 G HA2 -0.229 3.732 3.960 0.000 0.000 0.217 166 G HA3 -0.229 3.732 3.960 0.000 0.000 0.217 166 G C 1.551 176.436 174.900 -0.025 0.000 1.158 166 G CA 0.782 45.843 45.100 -0.064 0.000 0.771 166 G HN 0.177 nan 8.290 nan 0.000 0.545 167 S N -0.030 115.658 115.700 -0.020 0.000 2.383 167 S HA -0.112 4.358 4.470 0.000 0.000 0.227 167 S C 2.321 176.959 174.600 0.062 0.000 1.026 167 S CA 1.528 59.740 58.200 0.020 0.000 0.981 167 S CB -0.170 63.048 63.200 0.030 0.000 0.818 167 S HN 0.392 nan 8.310 nan 0.000 0.472 168 Q N 1.473 121.348 119.800 0.124 0.000 2.079 168 Q HA 0.086 4.426 4.340 0.000 0.000 0.200 168 Q C 2.068 178.137 176.000 0.116 0.000 0.974 168 Q CA 1.697 57.616 55.803 0.193 0.000 0.840 168 Q CB -0.592 28.401 28.738 0.424 0.000 0.898 168 Q HN 0.493 nan 8.270 nan 0.000 0.430 169 A N -0.386 122.487 122.820 0.089 0.000 1.929 169 A HA -0.089 4.232 4.320 0.000 0.000 0.216 169 A C 1.968 179.569 177.584 0.027 0.000 1.176 169 A CA 1.187 53.257 52.037 0.055 0.000 0.628 169 A CB -0.668 18.356 19.000 0.040 0.000 0.816 169 A HN 0.424 nan 8.150 nan 0.000 0.444 170 L N -0.134 121.099 121.223 0.017 0.000 2.005 170 L HA -0.091 4.249 4.340 0.000 0.000 0.207 170 L C 2.389 179.259 176.870 -0.001 0.000 1.072 170 L CA 1.833 56.674 54.840 0.002 0.000 0.744 170 L CB -0.378 41.678 42.059 -0.006 0.000 0.895 170 L HN 0.164 nan 8.230 nan 0.000 0.433 171 V N -1.471 118.445 119.914 0.003 0.000 2.667 171 V HA -0.170 3.950 4.120 0.000 0.000 0.252 171 V C 2.435 178.515 176.094 -0.023 0.000 1.065 171 V CA 1.573 63.864 62.300 -0.015 0.000 1.083 171 V CB -0.381 31.429 31.823 -0.022 0.000 0.692 171 V HN 0.421 nan 8.190 nan 0.000 0.468 172 S N -0.545 115.153 115.700 -0.003 0.000 2.395 172 S HA -0.135 4.335 4.470 0.000 0.000 0.225 172 S C 1.934 176.533 174.600 -0.002 0.000 1.027 172 S CA 1.153 59.352 58.200 -0.002 0.000 0.965 172 S CB -0.072 63.144 63.200 0.026 0.000 0.812 172 S HN 0.677 nan 8.310 nan 0.000 0.482 173 Q N -0.605 119.196 119.800 0.002 0.000 2.396 173 Q HA 0.279 4.619 4.340 0.000 0.000 0.220 173 Q C 1.527 177.523 176.000 -0.006 0.000 0.900 173 Q CA 0.363 56.166 55.803 0.000 0.000 0.925 173 Q CB 0.290 29.031 28.738 0.004 0.000 1.065 173 Q HN 0.383 nan 8.270 nan 0.000 0.535 174 I N -0.393 120.172 120.570 -0.009 0.000 2.899 174 I HA -0.087 4.083 4.170 0.000 0.000 0.257 174 I C 2.177 178.286 176.117 -0.013 0.000 1.115 174 I CA 0.602 61.895 61.300 -0.011 0.000 1.451 174 I CB -0.502 37.490 38.000 -0.012 0.000 1.251 174 I HN -0.027 nan 8.210 nan 0.000 0.456 175 V N 2.767 122.672 119.914 -0.016 0.000 2.317 175 V HA -0.191 3.929 4.120 0.000 0.000 0.251 175 V C -0.465 175.618 176.094 -0.019 0.000 1.065 175 V CA 2.260 64.549 62.300 -0.018 0.000 1.049 175 V CB -1.986 29.822 31.823 -0.026 0.000 0.651 175 V HN 0.261 nan 8.190 nan 0.000 0.450 176 P HA -0.079 nan 4.420 nan 0.000 0.225 176 P C 1.498 178.789 177.300 -0.016 0.000 1.148 176 P CA 1.165 64.254 63.100 -0.018 0.000 0.779 176 P CB -0.071 31.619 31.700 -0.016 0.000 0.780 177 L N -2.286 118.928 121.223 -0.015 0.000 2.509 177 L HA 0.050 4.390 4.340 0.000 0.000 0.222 177 L C 2.117 178.978 176.870 -0.014 0.000 1.123 177 L CA 0.309 55.140 54.840 -0.015 0.000 0.856 177 L CB -0.533 41.518 42.059 -0.013 0.000 0.985 177 L HN -0.026 nan 8.230 nan 0.000 0.456 178 L N -0.193 121.023 121.223 -0.012 0.000 2.044 178 L HA -0.040 4.300 4.340 0.000 0.000 0.205 178 L C 2.710 179.577 176.870 -0.007 0.000 1.075 178 L CA 1.405 56.241 54.840 -0.007 0.000 0.747 178 L CB -1.104 40.952 42.059 -0.006 0.000 0.903 178 L HN 0.286 nan 8.230 nan 0.000 0.435 179 G N 0.726 109.521 108.800 -0.009 0.000 2.480 179 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 179 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 179 G C -0.653 174.237 174.900 -0.017 0.000 1.200 179 G CA 0.814 45.910 45.100 -0.008 0.000 0.782 179 G HN 0.303 nan 8.290 nan 0.000 0.554 180 P HA -0.130 nan 4.420 nan 0.000 0.216 180 P C 1.941 179.215 177.300 -0.042 0.000 1.150 180 P CA 1.341 64.413 63.100 -0.047 0.000 0.843 180 P CB -0.085 31.589 31.700 -0.043 0.000 0.787 181 M N -1.177 118.409 119.600 -0.023 0.000 2.132 181 M HA -0.063 4.417 4.480 0.000 0.000 0.263 181 M C 1.834 178.136 176.300 0.002 0.000 1.065 181 M CA 1.767 57.060 55.300 -0.012 0.000 1.122 181 M CB -1.052 31.545 32.600 -0.005 0.000 1.365 181 M HN -0.205 nan 8.290 nan 0.000 0.411 182 I N -0.623 119.952 120.570 0.008 0.000 2.315 182 I HA -0.270 3.901 4.170 0.000 0.000 0.248 182 I C 2.525 178.669 176.117 0.045 0.000 1.117 182 I CA 1.290 62.606 61.300 0.027 0.000 1.404 182 I CB -0.647 37.368 38.000 0.025 0.000 1.071 182 I HN 0.475 nan 8.210 nan 0.000 0.419 183 Q N 0.970 120.782 119.800 0.020 0.000 2.084 183 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 183 Q C 1.648 177.650 176.000 0.002 0.000 0.978 183 Q CA 1.815 57.628 55.803 0.016 0.000 0.844 183 Q CB 0.057 28.736 28.738 -0.098 0.000 0.898 183 Q HN 0.434 nan 8.270 nan 0.000 0.426 184 D N 0.094 120.470 120.400 -0.040 0.000 2.117 184 D HA -0.163 4.477 4.640 0.000 0.000 0.197 184 D C 1.937 178.289 176.300 0.085 0.000 0.987 184 D CA 1.289 55.285 54.000 -0.007 0.000 0.829 184 D CB -0.159 40.628 40.800 -0.022 0.000 0.961 184 D HN 0.371 nan 8.370 nan 0.000 0.460 185 M N -0.181 119.463 119.600 0.075 0.000 2.117 185 M HA -0.144 4.336 4.480 0.000 0.000 0.262 185 M C 2.190 178.560 176.300 0.118 0.000 1.065 185 M CA 0.812 56.162 55.300 0.083 0.000 1.114 185 M CB -0.175 32.460 32.600 0.058 0.000 1.361 185 M HN 0.039 nan 8.290 nan 0.000 0.408 186 L N -0.016 121.300 121.223 0.155 0.000 2.046 186 L HA -0.110 4.230 4.340 0.000 0.000 0.208 186 L C 1.994 178.996 176.870 0.219 0.000 1.077 186 L CA 1.902 56.846 54.840 0.174 0.000 0.747 186 L CB -0.723 41.458 42.059 0.204 0.000 0.896 186 L HN 0.128 nan 8.230 nan 0.000 0.432 187 F N -1.004 118.964 119.950 0.031 0.000 2.216 187 F HA -0.248 4.280 4.527 0.000 0.000 0.300 187 F C 2.339 178.165 175.800 0.043 0.000 1.085 187 F CA 1.235 59.256 58.000 0.035 0.000 1.326 187 F CB -0.244 38.773 39.000 0.028 0.000 1.027 187 F HN 0.096 nan 8.300 nan 0.000 0.497 188 M N -0.522 119.205 119.600 0.211 0.000 2.080 188 M HA -0.278 4.202 4.480 0.000 0.000 0.260 188 M C 2.165 178.545 176.300 0.132 0.000 1.068 188 M CA 1.783 57.169 55.300 0.144 0.000 1.109 188 M CB -0.556 32.112 32.600 0.112 0.000 1.342 188 M HN 0.158 nan 8.290 nan 0.000 0.405 189 Q N 0.043 119.907 119.800 0.107 0.000 2.172 189 Q HA -0.059 4.282 4.340 0.000 0.000 0.200 189 Q C 2.088 178.143 176.000 0.091 0.000 0.964 189 Q CA 1.015 56.872 55.803 0.090 0.000 0.855 189 Q CB -0.078 28.686 28.738 0.043 0.000 0.918 189 Q HN 0.566 nan 8.270 nan 0.000 0.444 190 L N 0.059 121.297 121.223 0.025 0.000 2.093 190 L HA -0.148 4.192 4.340 0.000 0.000 0.208 190 L C 2.464 179.325 176.870 -0.014 0.000 1.085 190 L CA 0.955 55.767 54.840 -0.047 0.000 0.755 190 L CB -0.309 41.615 42.059 -0.224 0.000 0.904 190 L HN 0.162 nan 8.230 nan 0.000 0.435 191 R N -1.127 119.387 120.500 0.024 0.000 2.073 191 R HA -0.197 4.143 4.340 0.000 0.000 0.234 191 R C 2.404 178.742 176.300 0.065 0.000 1.134 191 R CA 1.335 57.456 56.100 0.035 0.000 0.952 191 R CB -0.597 29.740 30.300 0.061 0.000 0.850 191 R HN 0.411 nan 8.270 nan 0.000 0.433 192 H N 1.044 120.152 119.070 0.064 0.000 2.319 192 H HA -0.153 4.403 4.556 0.001 0.000 0.299 192 H C 2.035 177.449 175.328 0.143 0.000 1.092 192 H CA 2.103 58.242 56.048 0.151 0.000 1.302 192 H CB -0.139 29.731 29.762 0.179 0.000 1.373 192 H HN 0.150 nan 8.280 nan 0.000 0.497 193 M N -0.123 119.640 119.600 0.271 0.000 2.082 193 M HA -0.213 4.267 4.480 0.000 0.000 0.258 193 M C 2.420 178.750 176.300 0.051 0.000 1.069 193 M CA 1.876 57.284 55.300 0.180 0.000 1.102 193 M CB -0.071 32.593 32.600 0.106 0.000 1.336 193 M HN 0.281 nan 8.290 nan 0.000 0.404 194 M N -0.680 118.915 119.600 -0.009 0.000 2.229 194 M HA -0.191 4.289 4.480 0.000 0.000 0.264 194 M C 1.878 178.104 176.300 -0.124 0.000 1.063 194 M CA 1.457 56.722 55.300 -0.057 0.000 1.114 194 M CB -0.344 32.218 32.600 -0.064 0.000 1.387 194 M HN 0.262 nan 8.290 nan 0.000 0.420 195 E N 0.215 120.282 120.200 -0.220 0.000 2.072 195 E HA -0.121 4.229 4.350 0.000 0.000 0.191 195 E C 1.662 178.021 176.600 -0.402 0.000 0.985 195 E CA 1.937 58.061 56.400 -0.459 0.000 0.801 195 E CB -0.205 28.977 29.700 -0.864 0.000 0.750 195 E HN 0.322 nan 8.360 nan 0.000 0.452 196 T N 1.249 115.708 114.554 -0.159 0.000 2.684 196 T HA -0.141 4.209 4.350 0.000 0.000 0.267 196 T C 1.472 176.203 174.700 0.051 0.000 1.036 196 T CA 1.532 63.703 62.100 0.117 0.000 1.148 196 T CB -0.258 68.750 68.868 0.233 0.000 0.863 196 T HN 0.166 nan 8.240 nan 0.000 0.436 197 E N 1.034 121.241 120.200 0.013 0.000 2.107 197 E HA 0.051 4.401 4.350 0.000 0.000 0.191 197 E C 2.543 179.134 176.600 -0.015 0.000 0.982 197 E CA 0.976 57.381 56.400 0.008 0.000 0.809 197 E CB -0.553 29.149 29.700 0.003 0.000 0.756 197 E HN 0.512 nan 8.360 nan 0.000 0.459 198 A N 1.052 123.839 122.820 -0.054 0.000 1.858 198 A HA -0.148 4.172 4.320 0.000 0.000 0.216 198 A C 2.618 180.175 177.584 -0.046 0.000 1.190 198 A CA 1.626 53.625 52.037 -0.063 0.000 0.617 198 A CB -0.802 18.134 19.000 -0.106 0.000 0.827 198 A HN 0.137 nan 8.150 nan 0.000 0.443 199 V N 0.543 120.423 119.914 -0.057 0.000 2.343 199 V HA -0.294 3.826 4.120 0.000 0.000 0.247 199 V C 2.296 178.411 176.094 0.035 0.000 1.051 199 V CA 2.371 64.667 62.300 -0.007 0.000 1.036 199 V CB -1.220 30.621 31.823 0.029 0.000 0.654 199 V HN 0.646 nan 8.190 nan 0.000 0.451 200 N N 0.096 118.823 118.700 0.046 0.000 2.104 200 N HA -0.174 4.566 4.740 0.000 0.000 0.190 200 N C 1.807 177.335 175.510 0.030 0.000 1.024 200 N CA 1.637 54.716 53.050 0.048 0.000 0.853 200 N CB -0.354 38.164 38.487 0.052 0.000 1.008 200 N HN 0.490 nan 8.380 nan 0.000 0.424 201 A N -0.153 122.676 122.820 0.015 0.000 1.929 201 A HA 0.066 4.386 4.320 0.000 0.000 0.216 201 A C 2.309 179.898 177.584 0.009 0.000 1.176 201 A CA 1.609 53.652 52.037 0.009 0.000 0.628 201 A CB -1.177 17.822 19.000 -0.000 0.000 0.816 201 A HN 0.397 nan 8.150 nan 0.000 0.444 202 G N -0.215 108.589 108.800 0.006 0.000 2.446 202 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 202 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 202 G C 1.421 176.332 174.900 0.019 0.000 1.168 202 G CA 1.078 46.182 45.100 0.007 0.000 0.771 202 G HN 0.650 nan 8.290 nan 0.000 0.551 203 E N -0.137 120.080 120.200 0.029 0.000 2.110 203 E HA -0.069 4.281 4.350 0.000 0.000 0.193 203 E C 2.765 179.382 176.600 0.029 0.000 0.988 203 E CA 0.403 56.825 56.400 0.036 0.000 0.804 203 E CB -0.088 29.642 29.700 0.049 0.000 0.745 203 E HN 0.299 nan 8.360 nan 0.000 0.458 204 R N 0.223 120.738 120.500 0.025 0.000 2.073 204 R HA -0.094 4.246 4.340 0.000 0.000 0.234 204 R C 2.353 178.664 176.300 0.017 0.000 1.134 204 R CA 1.143 57.256 56.100 0.021 0.000 0.952 204 R CB -0.270 30.042 30.300 0.019 0.000 0.850 204 R HN 0.108 nan 8.270 nan 0.000 0.433 205 A N 1.015 123.844 122.820 0.014 0.000 1.855 205 A HA -0.085 4.235 4.320 0.000 0.000 0.215 205 A C 2.326 179.918 177.584 0.012 0.000 1.191 205 A CA 1.700 53.744 52.037 0.011 0.000 0.613 205 A CB -0.632 18.372 19.000 0.007 0.000 0.829 205 A HN 0.402 nan 8.150 nan 0.000 0.442 206 A N -1.763 121.066 122.820 0.015 0.000 2.015 206 A HA 0.312 4.632 4.320 0.000 0.000 0.219 206 A C 2.114 179.709 177.584 0.018 0.000 1.163 206 A CA 1.669 53.715 52.037 0.016 0.000 0.646 206 A CB -1.163 17.849 19.000 0.019 0.000 0.806 206 A HN 2.023 nan 8.150 nan 0.000 0.448 207 G N -0.801 108.011 108.800 0.020 0.000 2.160 207 G HA2 -0.296 3.664 3.960 0.000 0.000 0.251 207 G HA3 -0.296 3.664 3.960 0.000 0.000 0.251 207 G C 0.058 174.973 174.900 0.025 0.000 1.008 207 G CA 1.207 46.319 45.100 0.021 0.000 0.724 207 G HN 1.426 nan 8.290 nan 0.000 0.514 208 K N -1.601 118.816 120.400 0.028 0.000 2.685 208 K HA 0.582 4.902 4.320 0.000 0.000 0.290 208 K C -3.202 173.422 176.600 0.039 0.000 1.018 208 K CA -1.601 54.706 56.287 0.032 0.000 0.860 208 K CB 1.221 33.738 32.500 0.028 0.000 1.498 208 K HN -0.036 nan 8.250 nan 0.000 0.390 209 P HA 0.044 nan 4.420 nan 0.000 0.269 209 P C -0.424 176.907 177.300 0.052 0.000 1.217 209 P CA -0.180 62.955 63.100 0.058 0.000 0.783 209 P CB 0.474 32.214 31.700 0.066 0.000 0.898 210 L N 2.325 123.583 121.223 0.058 0.000 2.416 210 L HA 0.404 4.744 4.340 0.000 0.000 0.262 210 L C -1.910 174.987 176.870 0.046 0.000 1.093 210 L CA -2.405 52.462 54.840 0.044 0.000 0.801 210 L CB 0.025 42.108 42.059 0.040 0.000 1.191 210 L HN 0.209 nan 8.230 nan 0.000 0.459 211 P HA 0.051 nan 4.420 nan 0.000 0.262 211 P C 0.604 177.927 177.300 0.038 0.000 1.182 211 P CA 0.779 63.897 63.100 0.031 0.000 0.761 211 P CB 0.524 32.234 31.700 0.016 0.000 0.795 212 G N 1.757 110.586 108.800 0.048 0.000 2.179 212 G HA2 -0.197 3.764 3.960 0.000 0.000 0.260 212 G HA3 -0.197 3.764 3.960 0.000 0.000 0.260 212 G C 0.484 175.446 174.900 0.103 0.000 0.977 212 G CA -0.017 45.118 45.100 0.059 0.000 0.641 212 G HN 0.869 nan 8.290 nan 0.000 0.533 213 A N 0.301 123.188 122.820 0.112 0.000 2.531 213 A HA 0.603 4.923 4.320 0.000 0.000 0.236 213 A C 0.772 178.467 177.584 0.184 0.000 1.062 213 A CA 0.528 52.663 52.037 0.163 0.000 0.760 213 A CB 0.293 19.371 19.000 0.130 0.000 0.995 213 A HN 0.418 nan 8.150 nan 0.000 0.501 214 R N 1.113 121.771 120.500 0.263 0.000 2.740 214 R HA 0.299 4.639 4.340 0.000 0.000 0.282 214 R C -0.564 175.810 176.300 0.124 0.000 0.969 214 R CA -0.662 55.572 56.100 0.222 0.000 0.918 214 R CB 1.529 32.042 30.300 0.356 0.000 1.175 214 R HN 0.923 nan 8.270 nan 0.000 0.464 215 Q N 2.161 121.997 119.800 0.059 0.000 2.307 215 Q HA 0.300 4.641 4.340 0.000 0.000 0.261 215 Q C -0.518 175.434 176.000 -0.081 0.000 1.051 215 Q CA -0.212 55.591 55.803 -0.001 0.000 0.911 215 Q CB 0.492 29.229 28.738 -0.001 0.000 1.227 215 Q HN 0.460 nan 8.270 nan 0.000 0.418 216 V N 0.620 120.458 119.914 -0.128 0.000 3.078 216 V HA 0.653 4.774 4.120 0.000 0.000 0.311 216 V C -0.442 175.537 176.094 -0.192 0.000 1.138 216 V CA -0.955 61.198 62.300 -0.245 0.000 1.007 216 V CB 2.185 33.735 31.823 -0.455 0.000 1.045 216 V HN 0.576 nan 8.190 nan 0.000 0.432 217 T N 2.286 116.703 114.554 -0.229 0.000 2.771 217 T HA 0.696 5.047 4.350 0.000 0.000 0.281 217 T C -0.374 174.196 174.700 -0.218 0.000 0.982 217 T CA -0.333 61.658 62.100 -0.182 0.000 0.978 217 T CB 1.342 70.113 68.868 -0.163 0.000 0.930 217 T HN 0.741 nan 8.240 nan 0.000 0.447 218 V N 2.294 122.111 119.914 -0.162 0.000 2.555 218 V HA 0.881 5.001 4.120 0.000 0.000 0.302 218 V C -0.069 175.934 176.094 -0.152 0.000 1.038 218 V CA -0.928 61.261 62.300 -0.185 0.000 0.887 218 V CB 1.515 33.264 31.823 -0.123 0.000 0.991 218 V HN 1.077 nan 8.190 nan 0.000 0.434 219 A N 3.974 126.655 122.820 -0.232 0.000 2.414 219 A HA 0.920 5.240 4.320 0.000 0.000 0.306 219 A C -1.380 176.024 177.584 -0.301 0.000 1.054 219 A CA -0.406 51.533 52.037 -0.163 0.000 0.724 219 A CB 1.212 20.131 19.000 -0.134 0.000 1.267 219 A HN 0.602 nan 8.150 nan 0.000 0.418 220 F N 1.066 121.001 119.950 -0.024 0.000 2.469 220 F HA 0.658 5.186 4.527 0.001 0.000 0.332 220 F C 0.675 176.456 175.800 -0.033 0.000 1.103 220 F CA -0.206 57.787 58.000 -0.012 0.000 0.979 220 F CB 2.373 41.372 39.000 -0.001 0.000 1.137 220 F HN 0.705 nan 8.300 nan 0.000 0.463 221 A N 2.560 125.457 122.820 0.128 0.000 2.318 221 A HA 0.582 4.902 4.320 0.000 0.000 0.317 221 A C -1.518 176.102 177.584 0.060 0.000 1.159 221 A CA -0.540 51.524 52.037 0.045 0.000 0.799 221 A CB 0.988 19.965 19.000 -0.038 0.000 1.194 221 A HN 0.745 nan 8.150 nan 0.000 0.479 222 D N 2.278 122.697 120.400 0.032 0.000 2.505 222 D HA 0.517 5.157 4.640 0.000 0.000 0.249 222 D C -0.725 175.565 176.300 -0.018 0.000 1.082 222 D CA -0.324 53.688 54.000 0.020 0.000 0.839 222 D CB 0.973 41.781 40.800 0.012 0.000 1.317 222 D HN 0.452 nan 8.370 nan 0.000 0.497 223 L N 3.415 124.630 121.223 -0.013 0.000 2.380 223 L HA 0.320 4.661 4.340 0.000 0.000 0.273 223 L C 0.620 177.431 176.870 -0.099 0.000 1.138 223 L CA -0.790 54.026 54.840 -0.040 0.000 0.832 223 L CB 1.106 43.169 42.059 0.008 0.000 1.124 223 L HN 0.384 nan 8.230 nan 0.000 0.454 224 V N 0.218 120.010 119.914 -0.204 0.000 3.214 224 V HA 0.399 4.519 4.120 0.000 0.000 0.306 224 V C 1.105 177.010 176.094 -0.314 0.000 1.078 224 V CA -0.050 62.045 62.300 -0.341 0.000 1.077 224 V CB 0.994 32.376 31.823 -0.735 0.000 1.121 224 V HN 0.858 nan 8.190 nan 0.000 0.468 225 G N 0.760 109.429 108.800 -0.218 0.000 3.088 225 G HA2 0.343 4.303 3.960 0.000 0.000 0.212 225 G HA3 0.343 4.303 3.960 0.000 0.000 0.212 225 G C -0.005 174.948 174.900 0.089 0.000 1.173 225 G CA 0.400 45.497 45.100 -0.005 0.000 0.779 225 G HN 1.027 nan 8.290 nan 0.000 0.540 226 F N -1.830 118.114 119.950 -0.010 0.000 2.619 226 F HA 0.673 5.200 4.527 0.001 0.000 0.308 226 F C -0.173 175.626 175.800 -0.002 0.000 1.097 226 F CA -1.486 56.509 58.000 -0.009 0.000 0.953 226 F CB 0.500 39.496 39.000 -0.006 0.000 1.287 226 F HN -0.160 nan 8.300 nan 0.000 0.446 227 T N 0.699 115.336 114.554 0.138 0.000 2.770 227 T HA 0.135 4.485 4.350 0.000 0.000 0.281 227 T C 0.906 175.724 174.700 0.196 0.000 0.981 227 T CA -0.341 61.807 62.100 0.080 0.000 0.955 227 T CB 0.948 69.845 68.868 0.050 0.000 1.060 227 T HN 0.763 nan 8.240 nan 0.000 0.531 228 Q N -0.221 119.651 119.800 0.120 0.000 2.197 228 Q HA -0.051 4.290 4.340 0.000 0.000 0.207 228 Q C 1.516 177.593 176.000 0.129 0.000 0.984 228 Q CA 1.176 57.057 55.803 0.131 0.000 0.869 228 Q CB -0.259 28.522 28.738 0.072 0.000 0.906 228 Q HN 0.339 nan 8.270 nan 0.000 0.426 229 L N -1.557 119.727 121.223 0.101 0.000 2.612 229 L HA 0.268 4.608 4.340 0.000 0.000 0.230 229 L C 1.261 178.164 176.870 0.055 0.000 1.140 229 L CA 1.240 56.119 54.840 0.064 0.000 0.896 229 L CB -0.866 41.218 42.059 0.042 0.000 1.065 229 L HN 0.408 nan 8.230 nan 0.000 0.447 230 G N 0.365 109.226 108.800 0.102 0.000 2.175 230 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 230 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 230 G C 0.315 175.241 174.900 0.043 0.000 0.982 230 G CA 0.426 45.534 45.100 0.013 0.000 0.641 230 G HN 0.527 nan 8.290 nan 0.000 0.527 231 E N 0.601 120.853 120.200 0.087 0.000 2.392 231 E HA 0.521 4.872 4.350 0.000 0.000 0.259 231 E C 0.385 177.048 176.600 0.106 0.000 1.108 231 E CA -0.431 56.009 56.400 0.067 0.000 0.916 231 E CB 1.087 30.813 29.700 0.045 0.000 0.989 231 E HN 0.602 nan 8.360 nan 0.000 0.432 232 V N 2.013 121.967 119.914 0.067 0.000 2.509 232 V HA 0.217 4.337 4.120 0.000 0.000 0.284 232 V C 0.126 176.237 176.094 0.029 0.000 1.047 232 V CA -1.206 61.135 62.300 0.068 0.000 0.952 232 V CB 1.328 33.178 31.823 0.046 0.000 0.988 232 V HN 0.610 nan 8.190 nan 0.000 0.469 233 V N 4.906 124.827 119.914 0.013 0.000 2.508 233 V HA 0.213 4.333 4.120 0.000 0.000 0.281 233 V C 0.991 177.053 176.094 -0.054 0.000 1.041 233 V CA 0.289 62.569 62.300 -0.032 0.000 1.016 233 V CB 1.462 33.252 31.823 -0.056 0.000 0.984 233 V HN 1.190 nan 8.190 nan 0.000 0.478 234 S N 5.321 120.990 115.700 -0.051 0.000 2.606 234 S HA 0.370 4.841 4.470 0.000 0.000 0.257 234 S C 1.342 175.896 174.600 -0.078 0.000 1.327 234 S CA 0.174 58.342 58.200 -0.053 0.000 0.984 234 S CB 1.252 64.430 63.200 -0.037 0.000 0.941 234 S HN 0.966 nan 8.310 nan 0.000 0.576 235 A N 0.385 123.168 122.820 -0.061 0.000 1.898 235 A HA 0.052 4.373 4.320 0.000 0.000 0.214 235 A C 2.110 179.688 177.584 -0.010 0.000 1.183 235 A CA 1.520 53.521 52.037 -0.059 0.000 0.622 235 A CB -1.311 17.702 19.000 0.022 0.000 0.824 235 A HN 0.976 nan 8.150 nan 0.000 0.444 236 E N 0.478 120.681 120.200 0.004 0.000 2.051 236 E HA -0.220 4.130 4.350 0.000 0.000 0.192 236 E C 1.824 178.437 176.600 0.021 0.000 0.991 236 E CA 1.972 58.384 56.400 0.020 0.000 0.799 236 E CB -0.333 29.355 29.700 -0.021 0.000 0.748 236 E HN 0.655 nan 8.360 nan 0.000 0.449 237 E N -0.752 119.441 120.200 -0.011 0.000 2.110 237 E HA -0.158 4.192 4.350 0.000 0.000 0.193 237 E C 1.953 178.534 176.600 -0.031 0.000 0.988 237 E CA 0.993 57.383 56.400 -0.016 0.000 0.804 237 E CB -0.198 29.468 29.700 -0.057 0.000 0.745 237 E HN 0.281 nan 8.360 nan 0.000 0.458 238 L N -0.050 121.149 121.223 -0.041 0.000 2.046 238 L HA -0.046 4.294 4.340 0.000 0.000 0.208 238 L C 2.098 178.965 176.870 -0.005 0.000 1.077 238 L CA 2.322 57.134 54.840 -0.047 0.000 0.747 238 L CB -0.915 41.100 42.059 -0.072 0.000 0.896 238 L HN 0.142 nan 8.230 nan 0.000 0.432 239 G N -1.914 106.902 108.800 0.027 0.000 2.421 239 G HA2 -0.361 3.600 3.960 0.000 0.000 0.216 239 G HA3 -0.361 3.600 3.960 0.000 0.000 0.216 239 G C 1.590 176.553 174.900 0.104 0.000 1.171 239 G CA 0.946 46.082 45.100 0.059 0.000 0.775 239 G HN 0.573 nan 8.290 nan 0.000 0.543 240 H N 0.823 119.879 119.070 -0.024 0.000 2.319 240 H HA 0.062 4.618 4.556 0.000 0.000 0.299 240 H C 2.574 177.861 175.328 -0.069 0.000 1.092 240 H CA 1.438 57.463 56.048 -0.038 0.000 1.302 240 H CB -0.476 29.253 29.762 -0.056 0.000 1.373 240 H HN 0.283 nan 8.280 nan 0.000 0.497 241 L N -0.462 120.680 121.223 -0.134 0.000 2.093 241 L HA -0.079 4.261 4.340 0.000 0.000 0.208 241 L C 2.878 179.721 176.870 -0.045 0.000 1.085 241 L CA 0.922 55.592 54.840 -0.284 0.000 0.755 241 L CB -0.573 41.284 42.059 -0.337 0.000 0.904 241 L HN 0.330 nan 8.230 nan 0.000 0.435 242 A N 0.339 123.171 122.820 0.019 0.000 1.902 242 A HA -0.148 4.172 4.320 0.000 0.000 0.217 242 A C 2.408 180.056 177.584 0.108 0.000 1.181 242 A CA 1.798 53.880 52.037 0.074 0.000 0.623 242 A CB -1.280 17.758 19.000 0.063 0.000 0.818 242 A HN 0.436 nan 8.150 nan 0.000 0.443 243 G N -0.682 108.184 108.800 0.109 0.000 2.418 243 G HA2 -0.223 3.738 3.960 0.000 0.000 0.217 243 G HA3 -0.223 3.738 3.960 0.000 0.000 0.217 243 G C 1.742 176.725 174.900 0.139 0.000 1.158 243 G CA 0.790 45.969 45.100 0.132 0.000 0.771 243 G HN 0.522 nan 8.290 nan 0.000 0.545 244 R N -0.530 120.041 120.500 0.119 0.000 2.096 244 R HA -0.017 4.323 4.340 0.000 0.000 0.235 244 R C 2.478 178.917 176.300 0.232 0.000 1.127 244 R CA 1.108 57.309 56.100 0.168 0.000 0.968 244 R CB -0.627 29.747 30.300 0.123 0.000 0.861 244 R HN 0.405 nan 8.270 nan 0.000 0.440 245 L N 0.933 122.301 121.223 0.242 0.000 2.056 245 L HA -0.063 4.277 4.340 0.000 0.000 0.207 245 L C 2.314 179.218 176.870 0.056 0.000 1.078 245 L CA 1.878 56.800 54.840 0.136 0.000 0.749 245 L CB -0.685 41.459 42.059 0.142 0.000 0.901 245 L HN 0.103 nan 8.230 nan 0.000 0.433 246 A N -0.406 122.495 122.820 0.136 0.000 1.908 246 A HA -0.142 4.179 4.320 0.000 0.000 0.218 246 A C 2.341 180.037 177.584 0.187 0.000 1.181 246 A CA 1.793 53.969 52.037 0.233 0.000 0.627 246 A CB -1.649 17.513 19.000 0.269 0.000 0.818 246 A HN 0.546 nan 8.150 nan 0.000 0.445 247 G N -0.452 108.428 108.800 0.134 0.000 2.402 247 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 247 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 247 G C 1.580 176.500 174.900 0.035 0.000 1.162 247 G CA 0.977 46.139 45.100 0.104 0.000 0.777 247 G HN 0.427 nan 8.290 nan 0.000 0.539 248 L N 0.671 121.887 121.223 -0.011 0.000 2.017 248 L HA -0.067 4.274 4.340 0.000 0.000 0.208 248 L C 3.437 180.212 176.870 -0.158 0.000 1.073 248 L CA 1.077 55.866 54.840 -0.084 0.000 0.745 248 L CB -0.405 41.572 42.059 -0.137 0.000 0.894 248 L HN 0.307 nan 8.230 nan 0.000 0.432 249 A N 0.114 122.770 122.820 -0.273 0.000 1.940 249 A HA -0.277 4.044 4.320 0.000 0.000 0.219 249 A C 2.304 179.618 177.584 -0.450 0.000 1.176 249 A CA 2.039 53.758 52.037 -0.530 0.000 0.631 249 A CB -0.496 17.887 19.000 -1.027 0.000 0.814 249 A HN 0.335 nan 8.150 nan 0.000 0.446 250 R N 0.672 121.062 120.500 -0.184 0.000 2.066 250 R HA -0.119 4.221 4.340 0.000 0.000 0.232 250 R C 1.416 177.743 176.300 0.044 0.000 1.131 250 R CA 2.159 58.329 56.100 0.116 0.000 0.955 250 R CB -0.878 29.574 30.300 0.254 0.000 0.851 250 R HN 0.483 nan 8.270 nan 0.000 0.432 251 D N 0.335 120.738 120.400 0.006 0.000 2.116 251 D HA -0.184 4.457 4.640 0.000 0.000 0.193 251 D C 1.853 178.139 176.300 -0.023 0.000 0.998 251 D CA 1.706 55.705 54.000 -0.003 0.000 0.836 251 D CB -0.131 40.660 40.800 -0.016 0.000 0.951 251 D HN 0.325 nan 8.370 nan 0.000 0.449 252 L N 0.008 121.193 121.223 -0.063 0.000 2.477 252 L HA 0.054 4.394 4.340 0.000 0.000 0.220 252 L C 0.559 177.391 176.870 -0.064 0.000 1.106 252 L CA 0.441 55.238 54.840 -0.073 0.000 0.851 252 L CB 0.071 42.065 42.059 -0.108 0.000 0.994 252 L HN -0.172 nan 8.230 nan 0.000 0.462 253 T N 1.497 116.017 114.554 -0.058 0.000 2.728 253 T HA 0.603 4.953 4.350 0.000 0.000 0.296 253 T C 0.006 174.730 174.700 0.040 0.000 0.940 253 T CA -0.267 61.821 62.100 -0.019 0.000 1.013 253 T CB 1.394 70.260 68.868 -0.003 0.000 0.912 253 T HN 0.223 nan 8.240 nan 0.000 0.484 254 A N 5.286 128.119 122.820 0.023 0.000 2.469 254 A HA 0.869 5.190 4.320 0.000 0.000 0.299 254 A C -2.843 174.761 177.584 0.034 0.000 1.098 254 A CA -2.326 49.736 52.037 0.041 0.000 0.737 254 A CB 0.897 19.909 19.000 0.020 0.000 1.312 254 A HN 0.470 nan 8.150 nan 0.000 0.414 255 P HA 0.115 nan 4.420 nan 0.000 0.265 255 P C -1.805 175.484 177.300 -0.017 0.000 1.187 255 P CA -0.333 62.800 63.100 0.054 0.000 0.766 255 P CB 0.212 31.971 31.700 0.097 0.000 0.820 256 P HA 0.039 nan 4.420 nan 0.000 0.255 256 P C -0.363 176.660 177.300 -0.461 0.000 1.248 256 P CA 0.342 63.334 63.100 -0.181 0.000 0.807 256 P CB 0.338 31.924 31.700 -0.191 0.000 1.150 257 V N 1.125 120.857 119.914 -0.303 0.000 2.614 257 V HA 0.108 4.229 4.120 0.000 0.000 0.291 257 V C 0.166 176.176 176.094 -0.140 0.000 1.049 257 V CA -0.281 61.821 62.300 -0.330 0.000 1.038 257 V CB 0.362 32.085 31.823 -0.167 0.000 0.980 257 V HN 0.090 nan 8.190 nan 0.000 0.481 258 W N 3.750 125.054 121.300 0.006 0.000 2.529 258 W HA 0.431 5.091 4.660 0.000 0.000 0.321 258 W C -0.424 176.171 176.519 0.127 0.000 1.047 258 W CA -1.722 55.662 57.345 0.065 0.000 1.216 258 W CB 1.254 30.754 29.460 0.066 0.000 1.357 258 W HN 0.478 nan 8.180 nan 0.000 0.489 259 F N 5.512 125.583 119.950 0.201 0.000 2.368 259 F HA 0.260 4.787 4.527 0.000 0.000 0.362 259 F C 0.662 176.528 175.800 0.110 0.000 1.137 259 F CA -1.196 56.864 58.000 0.101 0.000 1.161 259 F CB 0.245 39.284 39.000 0.065 0.000 1.265 259 F HN 0.167 nan 8.300 nan 0.000 0.530 260 I N 4.302 125.026 120.570 0.256 0.000 2.206 260 I HA -0.058 4.112 4.170 0.000 0.000 0.239 260 I C 0.747 176.792 176.117 -0.121 0.000 1.078 260 I CA 1.195 62.547 61.300 0.086 0.000 1.367 260 I CB -0.905 37.198 38.000 0.171 0.000 1.078 260 I HN 0.525 nan 8.210 nan 0.000 0.413 261 K N -0.609 119.744 120.400 -0.079 0.000 2.615 261 K HA 0.429 4.749 4.320 0.000 0.000 0.291 261 K C -1.288 175.368 176.600 0.094 0.000 1.017 261 K CA -0.702 55.517 56.287 -0.112 0.000 0.882 261 K CB 1.525 34.023 32.500 -0.004 0.000 1.522 261 K HN -0.202 nan 8.250 nan 0.000 0.412 262 T N 1.941 116.536 114.554 0.070 0.000 2.833 262 T HA 0.420 4.770 4.350 0.000 0.000 0.297 262 T C -0.225 174.538 174.700 0.105 0.000 1.015 262 T CA -0.742 61.462 62.100 0.175 0.000 0.963 262 T CB 0.046 69.040 68.868 0.209 0.000 0.955 262 T HN 0.531 nan 8.240 nan 0.000 0.449 263 I N 0.966 121.605 120.570 0.116 0.000 2.347 263 I HA 0.709 4.879 4.170 0.000 0.000 0.283 263 I C 1.066 177.220 176.117 0.062 0.000 1.058 263 I CA -0.519 60.822 61.300 0.068 0.000 1.202 263 I CB 0.152 38.180 38.000 0.046 0.000 1.386 263 I HN 0.763 nan 8.210 nan 0.000 0.475 264 G N 6.145 114.977 108.800 0.053 0.000 2.646 264 G HA2 -0.403 3.557 3.960 0.000 0.000 0.324 264 G HA3 -0.403 3.557 3.960 0.000 0.000 0.324 264 G C 0.496 175.433 174.900 0.061 0.000 1.195 264 G CA 0.891 46.019 45.100 0.048 0.000 0.976 264 G HN 0.971 nan 8.290 nan 0.000 0.546 265 D N 1.481 121.912 120.400 0.050 0.000 2.501 265 D HA 0.614 5.255 4.640 0.000 0.000 0.226 265 D C 0.565 176.904 176.300 0.066 0.000 1.198 265 D CA 0.980 55.012 54.000 0.053 0.000 0.830 265 D CB -0.010 40.804 40.800 0.023 0.000 1.014 265 D HN 1.171 nan 8.370 nan 0.000 0.496 266 A N 0.367 123.243 122.820 0.092 0.000 2.365 266 A HA 0.670 4.990 4.320 0.000 0.000 0.318 266 A C -0.178 177.516 177.584 0.183 0.000 1.091 266 A CA -0.698 51.417 52.037 0.129 0.000 0.763 266 A CB 1.967 21.053 19.000 0.144 0.000 1.248 266 A HN 0.289 nan 8.150 nan 0.000 0.442 267 V N 0.158 120.174 119.914 0.170 0.000 2.850 267 V HA 0.833 4.954 4.120 0.000 0.000 0.315 267 V C -0.120 176.058 176.094 0.139 0.000 1.064 267 V CA -0.901 61.522 62.300 0.204 0.000 0.979 267 V CB 1.674 33.536 31.823 0.065 0.000 1.039 267 V HN 1.002 nan 8.190 nan 0.000 0.452 268 M N 4.064 123.737 119.600 0.122 0.000 2.190 268 M HA 0.629 5.109 4.480 0.000 0.000 0.312 268 M C -1.997 174.280 176.300 -0.038 0.000 0.990 268 M CA -0.568 54.607 55.300 -0.207 0.000 0.927 268 M CB 1.533 33.938 32.600 -0.324 0.000 1.571 268 M HN 0.762 nan 8.290 nan 0.000 0.427 269 L N 5.251 126.374 121.223 -0.168 0.000 2.346 269 L HA 0.841 5.181 4.340 0.000 0.000 0.274 269 L C -1.070 175.706 176.870 -0.158 0.000 1.007 269 L CA -1.030 53.764 54.840 -0.076 0.000 0.818 269 L CB 2.129 44.120 42.059 -0.113 0.000 1.284 269 L HN 0.443 nan 8.230 nan 0.000 0.424 270 V N 1.181 121.035 119.914 -0.101 0.000 2.841 270 V HA 0.552 4.673 4.120 0.000 0.000 0.310 270 V C -1.007 174.844 176.094 -0.406 0.000 1.090 270 V CA -0.575 61.585 62.300 -0.233 0.000 0.930 270 V CB 2.403 34.069 31.823 -0.263 0.000 1.014 270 V HN 0.926 nan 8.190 nan 0.000 0.425 271 C N 5.511 124.476 119.300 -0.558 0.000 2.985 271 C HA 0.520 4.980 4.460 0.000 0.000 0.332 271 C C -1.830 172.801 174.990 -0.599 0.000 1.164 271 C CA -1.044 57.518 59.018 -0.759 0.000 1.347 271 C CB 2.376 29.812 27.740 -0.507 0.000 1.764 271 C HN 0.760 nan 8.230 nan 0.000 0.489 272 P HA -0.025 nan 4.420 nan 0.000 0.216 272 P C -0.338 176.825 177.300 -0.228 0.000 1.153 272 P CA 1.626 64.528 63.100 -0.330 0.000 0.858 272 P CB 0.161 31.715 31.700 -0.244 0.000 0.789 273 D N -1.820 118.441 120.400 -0.231 0.000 2.256 273 D HA 0.138 4.778 4.640 0.000 0.000 0.246 273 D C -1.603 174.610 176.300 -0.146 0.000 1.042 273 D CA -1.761 52.149 54.000 -0.150 0.000 0.841 273 D CB 1.887 42.620 40.800 -0.111 0.000 1.223 273 D HN 0.011 nan 8.370 nan 0.000 0.470 274 P HA -0.115 nan 4.420 nan 0.000 0.217 274 P C 1.106 178.367 177.300 -0.065 0.000 1.151 274 P CA 0.775 63.819 63.100 -0.093 0.000 0.828 274 P CB 0.429 32.096 31.700 -0.054 0.000 0.788 275 A N 1.157 123.983 122.820 0.010 0.000 1.865 275 A HA -0.105 4.216 4.320 0.000 0.000 0.217 275 A C 0.021 177.665 177.584 0.100 0.000 1.191 275 A CA 2.166 54.284 52.037 0.136 0.000 0.623 275 A CB -2.216 16.879 19.000 0.159 0.000 0.826 275 A HN 0.216 nan 8.150 nan 0.000 0.444 276 P HA -0.085 nan 4.420 nan 0.000 0.219 276 P C 1.719 178.977 177.300 -0.070 0.000 1.150 276 P CA 0.703 63.788 63.100 -0.026 0.000 0.814 276 P CB -0.107 31.549 31.700 -0.072 0.000 0.787 277 L N -1.221 119.929 121.223 -0.122 0.000 2.046 277 L HA -0.161 4.179 4.340 0.000 0.000 0.208 277 L C 2.171 178.950 176.870 -0.151 0.000 1.077 277 L CA 1.532 56.279 54.840 -0.155 0.000 0.747 277 L CB -0.901 41.041 42.059 -0.194 0.000 0.896 277 L HN -0.129 nan 8.230 nan 0.000 0.432 278 L N -0.187 120.932 121.223 -0.175 0.000 2.093 278 L HA -0.219 4.121 4.340 0.000 0.000 0.208 278 L C 2.145 178.912 176.870 -0.172 0.000 1.085 278 L CA 1.747 56.409 54.840 -0.296 0.000 0.755 278 L CB -0.810 40.883 42.059 -0.609 0.000 0.904 278 L HN 0.331 nan 8.230 nan 0.000 0.435 279 D N -1.385 119.032 120.400 0.029 0.000 2.117 279 D HA -0.159 4.481 4.640 0.000 0.000 0.197 279 D C 1.940 178.235 176.300 -0.009 0.000 0.987 279 D CA 1.836 55.902 54.000 0.110 0.000 0.829 279 D CB 0.048 40.922 40.800 0.123 0.000 0.961 279 D HN 0.354 nan 8.370 nan 0.000 0.460 280 T N 0.665 115.186 114.554 -0.055 0.000 2.777 280 T HA -0.082 4.268 4.350 0.000 0.000 0.266 280 T C 2.307 176.941 174.700 -0.111 0.000 1.040 280 T CA 0.608 62.657 62.100 -0.086 0.000 1.141 280 T CB -0.303 68.505 68.868 -0.100 0.000 0.868 280 T HN -0.035 nan 8.240 nan 0.000 0.444 281 V N 1.779 121.617 119.914 -0.127 0.000 2.295 281 V HA -0.118 4.002 4.120 0.000 0.000 0.246 281 V C 2.560 178.578 176.094 -0.127 0.000 1.049 281 V CA 1.205 63.423 62.300 -0.138 0.000 1.024 281 V CB -0.654 31.077 31.823 -0.152 0.000 0.648 281 V HN 0.343 nan 8.190 nan 0.000 0.447 282 L N 0.043 121.196 121.223 -0.118 0.000 2.012 282 L HA -0.190 4.150 4.340 0.000 0.000 0.210 282 L C 2.459 179.278 176.870 -0.084 0.000 1.073 282 L CA 2.140 56.923 54.840 -0.095 0.000 0.748 282 L CB -1.349 40.678 42.059 -0.054 0.000 0.891 282 L HN 0.370 nan 8.230 nan 0.000 0.431 283 K N -0.116 120.238 120.400 -0.076 0.000 2.057 283 K HA -0.199 4.121 4.320 0.000 0.000 0.207 283 K C 2.033 178.566 176.600 -0.111 0.000 1.049 283 K CA 1.112 57.350 56.287 -0.081 0.000 0.931 283 K CB -0.495 31.962 32.500 -0.071 0.000 0.714 283 K HN 0.080 nan 8.250 nan 0.000 0.440 284 L N -0.044 121.101 121.223 -0.129 0.000 2.017 284 L HA -0.113 4.228 4.340 0.000 0.000 0.208 284 L C 1.970 178.736 176.870 -0.173 0.000 1.073 284 L CA 1.475 56.218 54.840 -0.162 0.000 0.745 284 L CB -0.495 41.460 42.059 -0.172 0.000 0.894 284 L HN 0.042 nan 8.230 nan 0.000 0.432 285 V N -0.488 119.339 119.914 -0.144 0.000 2.343 285 V HA -0.279 3.841 4.120 0.000 0.000 0.247 285 V C 2.475 178.489 176.094 -0.132 0.000 1.051 285 V CA 1.890 64.109 62.300 -0.136 0.000 1.036 285 V CB -0.602 31.155 31.823 -0.109 0.000 0.654 285 V HN 0.489 nan 8.190 nan 0.000 0.451 286 E N -0.095 120.036 120.200 -0.115 0.000 2.038 286 E HA -0.200 4.150 4.350 0.000 0.000 0.195 286 E C 2.279 178.807 176.600 -0.119 0.000 1.000 286 E CA 1.748 58.089 56.400 -0.099 0.000 0.803 286 E CB -0.264 29.387 29.700 -0.081 0.000 0.750 286 E HN 0.424 nan 8.360 nan 0.000 0.448 287 V N 0.868 120.695 119.914 -0.144 0.000 2.343 287 V HA -0.230 3.891 4.120 0.000 0.000 0.247 287 V C 2.322 178.271 176.094 -0.241 0.000 1.051 287 V CA 1.353 63.553 62.300 -0.166 0.000 1.036 287 V CB -0.324 31.397 31.823 -0.169 0.000 0.654 287 V HN 0.151 nan 8.190 nan 0.000 0.451 288 V N -0.212 119.505 119.914 -0.328 0.000 2.594 288 V HA -0.214 3.906 4.120 0.000 0.000 0.253 288 V C 2.002 177.949 176.094 -0.245 0.000 1.069 288 V CA 1.893 63.903 62.300 -0.483 0.000 1.082 288 V CB -0.562 30.955 31.823 -0.511 0.000 0.680 288 V HN 0.562 nan 8.190 nan 0.000 0.469 289 D N -0.109 120.198 120.400 -0.156 0.000 2.352 289 D HA -0.034 4.607 4.640 0.000 0.000 0.232 289 D C 1.907 178.172 176.300 -0.058 0.000 1.055 289 D CA 1.163 55.113 54.000 -0.084 0.000 0.891 289 D CB 0.378 41.136 40.800 -0.070 0.000 0.897 289 D HN 0.681 nan 8.370 nan 0.000 0.529 290 T N -3.511 111.002 114.554 -0.069 0.000 3.038 290 T HA 0.008 4.358 4.350 0.000 0.000 0.244 290 T C 0.716 175.411 174.700 -0.007 0.000 1.016 290 T CA -0.381 61.696 62.100 -0.037 0.000 1.098 290 T CB 0.529 69.370 68.868 -0.045 0.000 0.954 290 T HN -0.184 nan 8.240 nan 0.000 0.469 291 D N 1.534 121.937 120.400 0.006 0.000 2.295 291 D HA 0.316 4.956 4.640 0.000 0.000 0.248 291 D C 0.219 176.592 176.300 0.122 0.000 1.154 291 D CA -0.372 53.680 54.000 0.087 0.000 0.857 291 D CB 0.898 41.812 40.800 0.190 0.000 1.117 291 D HN 0.003 nan 8.370 nan 0.000 0.468 292 N N 2.540 121.290 118.700 0.083 0.000 2.336 292 N HA 0.014 4.754 4.740 0.000 0.000 0.189 292 N C 0.562 176.110 175.510 0.062 0.000 1.113 292 N CA -0.050 53.041 53.050 0.069 0.000 0.858 292 N CB 0.177 38.687 38.487 0.038 0.000 0.970 292 N HN 0.356 nan 8.380 nan 0.000 0.471 293 N N -0.039 118.695 118.700 0.057 0.000 2.396 293 N HA -0.066 4.674 4.740 0.000 0.000 0.180 293 N C -0.144 175.309 175.510 -0.094 0.000 1.028 293 N CA 0.429 53.458 53.050 -0.036 0.000 0.893 293 N CB -0.078 38.351 38.487 -0.097 0.000 0.967 293 N HN 0.181 nan 8.380 nan 0.000 0.440 294 F N 1.820 121.728 119.950 -0.071 0.000 2.429 294 F HA 0.221 4.749 4.527 0.000 0.000 0.348 294 F C -1.602 174.146 175.800 -0.087 0.000 1.109 294 F CA -1.931 56.018 58.000 -0.085 0.000 1.232 294 F CB 0.449 39.399 39.000 -0.085 0.000 1.157 294 F HN -0.140 nan 8.300 nan 0.000 0.564 295 P HA 0.089 nan 4.420 nan 0.000 0.270 295 P C -0.658 176.635 177.300 -0.012 0.000 1.223 295 P CA -0.253 62.825 63.100 -0.038 0.000 0.785 295 P CB 0.487 32.105 31.700 -0.136 0.000 0.923 296 R N 0.742 121.182 120.500 -0.101 0.000 2.734 296 R HA 0.242 4.582 4.340 0.000 0.000 0.266 296 R C 0.012 176.250 176.300 -0.103 0.000 1.044 296 R CA -0.369 55.678 56.100 -0.088 0.000 1.128 296 R CB -0.166 30.084 30.300 -0.085 0.000 1.010 296 R HN 0.364 nan 8.270 nan 0.000 0.461 297 L N 2.157 123.324 121.223 -0.093 0.000 2.334 297 L HA 0.424 4.764 4.340 0.000 0.000 0.275 297 L C -0.269 176.555 176.870 -0.078 0.000 1.036 297 L CA -0.107 54.680 54.840 -0.089 0.000 0.807 297 L CB 1.081 43.072 42.059 -0.113 0.000 1.231 297 L HN 0.646 nan 8.230 nan 0.000 0.438 298 R N 3.388 123.852 120.500 -0.061 0.000 2.795 298 R HA 0.989 5.329 4.340 0.000 0.000 0.275 298 R C -1.670 174.613 176.300 -0.029 0.000 0.981 298 R CA -0.935 55.138 56.100 -0.045 0.000 0.917 298 R CB 1.667 31.947 30.300 -0.034 0.000 1.202 298 R HN 0.652 nan 8.270 nan 0.000 0.469 299 A N 0.721 123.524 122.820 -0.029 0.000 2.475 299 A HA 0.834 5.155 4.320 0.000 0.000 0.301 299 A C -0.948 176.635 177.584 -0.002 0.000 1.059 299 A CA -0.625 51.404 52.037 -0.012 0.000 0.710 299 A CB 2.130 21.100 19.000 -0.049 0.000 1.288 299 A HN 0.908 nan 8.150 nan 0.000 0.408 300 G N -0.109 108.716 108.800 0.041 0.000 2.566 300 G HA2 0.611 4.571 3.960 0.000 0.000 0.311 300 G HA3 0.611 4.571 3.960 0.000 0.000 0.311 300 G C -1.364 173.571 174.900 0.058 0.000 1.322 300 G CA -0.500 44.629 45.100 0.047 0.000 0.969 300 G HN 1.114 nan 8.290 nan 0.000 0.490 301 V N 0.571 120.498 119.914 0.022 0.000 2.588 301 V HA 0.881 5.001 4.120 0.000 0.000 0.304 301 V C 0.147 176.254 176.094 0.023 0.000 1.042 301 V CA -0.710 61.588 62.300 -0.003 0.000 0.877 301 V CB 1.232 33.015 31.823 -0.066 0.000 0.996 301 V HN 1.262 nan 8.190 nan 0.000 0.425 302 A N 2.946 125.778 122.820 0.019 0.000 2.515 302 A HA 0.955 5.275 4.320 0.000 0.000 0.296 302 A C -0.565 177.017 177.584 -0.005 0.000 1.094 302 A CA -0.558 51.495 52.037 0.028 0.000 0.718 302 A CB 2.176 21.209 19.000 0.054 0.000 1.307 302 A HN 0.700 nan 8.150 nan 0.000 0.408 303 S N -0.875 114.825 115.700 0.000 0.000 2.568 303 S HA 0.962 5.433 4.470 0.000 0.000 0.293 303 S C 0.213 174.812 174.600 -0.002 0.000 1.089 303 S CA 0.108 58.295 58.200 -0.022 0.000 0.945 303 S CB 1.884 65.066 63.200 -0.029 0.000 1.077 303 S HN 2.164 nan 8.310 nan 0.000 0.485 304 G N 1.512 110.306 108.800 -0.010 0.000 2.398 304 G HA2 0.254 4.215 3.960 0.000 0.000 0.251 304 G HA3 0.254 4.215 3.960 0.000 0.000 0.251 304 G C -1.990 172.923 174.900 0.022 0.000 1.277 304 G CA -0.835 44.273 45.100 0.013 0.000 0.927 304 G HN 0.466 nan 8.290 nan 0.000 0.477 305 M N 0.985 120.618 119.600 0.054 0.000 2.300 305 M HA 0.747 5.227 4.480 0.000 0.000 0.348 305 M C 0.116 176.498 176.300 0.137 0.000 1.151 305 M CA -0.559 54.793 55.300 0.087 0.000 1.046 305 M CB 0.813 33.464 32.600 0.084 0.000 1.647 305 M HN 1.390 nan 8.290 nan 0.000 0.451 306 A N 2.600 125.547 122.820 0.212 0.000 2.549 306 A HA 0.804 5.125 4.320 0.000 0.000 0.297 306 A C -0.770 177.102 177.584 0.480 0.000 1.061 306 A CA -0.765 51.475 52.037 0.338 0.000 0.690 306 A CB 1.532 20.759 19.000 0.378 0.000 1.287 306 A HN 0.712 nan 8.150 nan 0.000 0.402 307 V N -0.476 119.667 119.914 0.383 0.000 2.612 307 V HA 0.853 4.973 4.120 0.000 0.000 0.301 307 V C 0.264 176.391 176.094 0.055 0.000 1.046 307 V CA -0.392 62.044 62.300 0.226 0.000 0.946 307 V CB 1.441 33.334 31.823 0.116 0.000 1.003 307 V HN 1.040 nan 8.190 nan 0.000 0.459 308 S N 3.305 118.752 115.700 -0.423 0.000 2.462 308 S HA 0.680 5.151 4.470 0.000 0.000 0.294 308 S C -0.395 174.007 174.600 -0.330 0.000 1.144 308 S CA -0.775 56.915 58.200 -0.849 0.000 1.088 308 S CB 0.631 62.893 63.200 -1.562 0.000 1.009 308 S HN 0.980 nan 8.310 nan 0.000 0.484 309 R N 3.057 123.480 120.500 -0.129 0.000 2.564 309 R HA 0.553 4.894 4.340 0.000 0.000 0.284 309 R C -0.219 176.075 176.300 -0.010 0.000 1.031 309 R CA 0.247 56.299 56.100 -0.081 0.000 0.904 309 R CB 1.253 31.473 30.300 -0.134 0.000 1.199 309 R HN 1.087 nan 8.270 nan 0.000 0.443 310 A N 2.445 125.223 122.820 -0.070 0.000 2.822 310 A HA -0.186 4.134 4.320 0.000 0.000 0.287 310 A C 1.068 178.618 177.584 -0.055 0.000 1.479 310 A CA 1.719 53.732 52.037 -0.041 0.000 0.779 310 A CB -2.160 16.848 19.000 0.013 0.000 1.022 310 A HN 1.853 nan 8.150 nan 0.000 0.532 311 G N -1.970 106.743 108.800 -0.144 0.000 2.234 311 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 311 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 311 G C 0.128 174.922 174.900 -0.178 0.000 0.987 311 G CA 1.112 46.111 45.100 -0.168 0.000 0.625 311 G HN 1.312 nan 8.290 nan 0.000 0.532 312 D N -0.781 119.524 120.400 -0.158 0.000 2.387 312 D HA 0.636 5.276 4.640 0.000 0.000 0.255 312 D C -0.382 175.648 176.300 -0.450 0.000 1.081 312 D CA -0.552 53.354 54.000 -0.157 0.000 0.994 312 D CB 0.827 41.587 40.800 -0.066 0.000 1.127 312 D HN 0.177 nan 8.370 nan 0.000 0.513 313 W N 0.417 121.484 121.300 -0.389 0.000 2.761 313 W HA 0.547 5.207 4.660 0.000 0.000 0.340 313 W C -0.807 175.309 176.519 -0.671 0.000 1.072 313 W CA -0.628 56.540 57.345 -0.295 0.000 1.215 313 W CB 1.129 30.545 29.460 -0.072 0.000 1.420 313 W HN 0.075 nan 8.180 nan 0.000 0.519 314 F N 1.709 121.823 119.950 0.273 0.000 2.569 314 F HA 0.825 5.352 4.527 0.000 0.000 0.312 314 F C 0.647 176.550 175.800 0.172 0.000 1.109 314 F CA -0.762 57.332 58.000 0.157 0.000 0.919 314 F CB 2.089 41.104 39.000 0.025 0.000 1.211 314 F HN 0.566 nan 8.300 nan 0.000 0.446 315 G N 0.532 109.510 108.800 0.297 0.000 2.357 315 G HA2 0.133 4.094 3.960 0.000 0.000 0.289 315 G HA3 0.133 4.094 3.960 0.000 0.000 0.289 315 G C 0.210 175.208 174.900 0.165 0.000 1.302 315 G CA -0.228 45.001 45.100 0.214 0.000 0.936 315 G HN 0.753 nan 8.290 nan 0.000 0.513 316 S N 0.387 116.163 115.700 0.128 0.000 2.359 316 S HA -0.078 4.392 4.470 0.000 0.000 0.223 316 S C 0.717 175.376 174.600 0.099 0.000 1.039 316 S CA 2.926 61.187 58.200 0.101 0.000 1.042 316 S CB -0.781 62.467 63.200 0.080 0.000 0.915 316 S HN 0.510 nan 8.310 nan 0.000 0.439 317 P HA -0.000 nan 4.420 nan 0.000 0.218 317 P C 1.610 178.980 177.300 0.116 0.000 1.149 317 P CA 0.854 64.002 63.100 0.080 0.000 0.817 317 P CB -0.267 31.460 31.700 0.045 0.000 0.785 318 V N 0.939 120.944 119.914 0.151 0.000 2.307 318 V HA -0.235 3.885 4.120 0.000 0.000 0.245 318 V C 2.214 178.458 176.094 0.249 0.000 1.045 318 V CA 2.284 64.729 62.300 0.241 0.000 1.024 318 V CB -1.724 30.235 31.823 0.226 0.000 0.651 318 V HN 0.155 nan 8.190 nan 0.000 0.449 319 N N -0.057 118.740 118.700 0.161 0.000 2.188 319 N HA -0.120 4.620 4.740 0.000 0.000 0.184 319 N C 1.691 177.246 175.510 0.076 0.000 1.018 319 N CA 1.145 54.257 53.050 0.104 0.000 0.858 319 N CB -0.167 38.375 38.487 0.092 0.000 0.989 319 N HN 0.312 nan 8.380 nan 0.000 0.426 320 V N 1.387 121.354 119.914 0.088 0.000 2.270 320 V HA -0.176 3.945 4.120 0.000 0.000 0.245 320 V C 2.441 178.584 176.094 0.081 0.000 1.043 320 V CA 1.890 64.232 62.300 0.070 0.000 1.014 320 V CB -0.932 30.930 31.823 0.066 0.000 0.645 320 V HN 0.335 nan 8.190 nan 0.000 0.447 321 A N -0.613 122.288 122.820 0.134 0.000 1.940 321 A HA -0.261 4.059 4.320 0.000 0.000 0.219 321 A C 2.555 180.254 177.584 0.191 0.000 1.176 321 A CA 2.326 54.478 52.037 0.192 0.000 0.631 321 A CB -0.833 18.325 19.000 0.263 0.000 0.814 321 A HN 0.473 nan 8.150 nan 0.000 0.446 322 S N -0.969 114.773 115.700 0.069 0.000 2.368 322 S HA -0.166 4.304 4.470 0.000 0.000 0.225 322 S C 2.199 176.708 174.600 -0.151 0.000 1.030 322 S CA 1.279 59.296 58.200 -0.305 0.000 0.999 322 S CB -0.314 62.623 63.200 -0.439 0.000 0.844 322 S HN 0.559 nan 8.310 nan 0.000 0.459 323 R N 0.377 120.842 120.500 -0.058 0.000 2.153 323 R HA 0.090 4.430 4.340 0.000 0.000 0.218 323 R C 2.202 178.495 176.300 -0.011 0.000 1.072 323 R CA 0.786 56.866 56.100 -0.034 0.000 0.990 323 R CB -0.813 29.480 30.300 -0.011 0.000 0.889 323 R HN 0.385 nan 8.270 nan 0.000 0.452 324 V N 0.669 120.589 119.914 0.010 0.000 2.358 324 V HA -0.191 3.929 4.120 0.000 0.000 0.246 324 V C 2.155 178.258 176.094 0.014 0.000 1.047 324 V CA 2.053 64.365 62.300 0.020 0.000 1.035 324 V CB -0.639 31.207 31.823 0.038 0.000 0.658 324 V HN 0.319 nan 8.190 nan 0.000 0.452 325 T N 0.603 115.168 114.554 0.019 0.000 2.720 325 T HA -0.161 4.189 4.350 0.000 0.000 0.268 325 T C 1.926 176.621 174.700 -0.009 0.000 1.037 325 T CA 1.591 63.699 62.100 0.014 0.000 1.144 325 T CB -0.702 68.183 68.868 0.028 0.000 0.864 325 T HN 0.616 nan 8.240 nan 0.000 0.444 326 G N 1.224 110.008 108.800 -0.027 0.000 2.448 326 G HA2 -0.118 3.842 3.960 0.000 0.000 0.219 326 G HA3 -0.118 3.842 3.960 0.000 0.000 0.219 326 G C 1.553 176.452 174.900 -0.003 0.000 1.127 326 G CA 1.204 46.291 45.100 -0.022 0.000 0.766 326 G HN 0.606 nan 8.290 nan 0.000 0.552 327 V N -2.864 117.050 119.914 0.001 0.000 3.578 327 V HA 0.725 4.845 4.120 0.000 0.000 0.290 327 V C 1.143 177.244 176.094 0.011 0.000 1.376 327 V CA -0.187 62.118 62.300 0.008 0.000 1.083 327 V CB -0.365 31.461 31.823 0.006 0.000 0.911 327 V HN 0.373 nan 8.190 nan 0.000 0.433 328 A N 1.521 124.346 122.820 0.008 0.000 2.425 328 A HA 0.577 4.897 4.320 0.000 0.000 0.249 328 A C 0.611 178.203 177.584 0.014 0.000 1.084 328 A CA -0.351 51.690 52.037 0.007 0.000 0.781 328 A CB 0.160 19.159 19.000 -0.001 0.000 1.019 328 A HN 0.655 nan 8.150 nan 0.000 0.490 329 R N 1.551 122.060 120.500 0.015 0.000 2.577 329 R HA 0.367 4.707 4.340 0.000 0.000 0.269 329 R C -2.555 173.755 176.300 0.016 0.000 1.084 329 R CA -1.607 54.511 56.100 0.029 0.000 1.163 329 R CB -0.090 30.229 30.300 0.031 0.000 1.100 329 R HN 0.432 nan 8.270 nan 0.000 0.547 330 P HA 0.002 nan 4.420 nan 0.000 0.267 330 P C 0.401 177.694 177.300 -0.011 0.000 1.205 330 P CA 0.794 63.889 63.100 -0.007 0.000 0.765 330 P CB 0.623 32.331 31.700 0.015 0.000 0.828 331 G N 1.632 110.410 108.800 -0.036 0.000 2.176 331 G HA2 -0.102 3.858 3.960 0.000 0.000 0.253 331 G HA3 -0.102 3.858 3.960 0.000 0.000 0.253 331 G C 0.245 175.120 174.900 -0.043 0.000 0.979 331 G CA 0.012 45.089 45.100 -0.040 0.000 0.641 331 G HN 0.870 nan 8.290 nan 0.000 0.530 332 A N -0.369 122.428 122.820 -0.038 0.000 2.337 332 A HA 0.821 5.141 4.320 0.000 0.000 0.329 332 A C -0.186 177.365 177.584 -0.056 0.000 1.146 332 A CA -0.274 51.738 52.037 -0.042 0.000 0.800 332 A CB 2.084 21.071 19.000 -0.022 0.000 1.220 332 A HN 1.106 nan 8.150 nan 0.000 0.472 333 V N 3.251 123.117 119.914 -0.080 0.000 2.328 333 V HA 0.326 4.447 4.120 0.000 0.000 0.278 333 V C -0.666 175.371 176.094 -0.096 0.000 1.021 333 V CA -0.327 61.913 62.300 -0.101 0.000 0.838 333 V CB 0.811 32.541 31.823 -0.154 0.000 0.999 333 V HN 0.724 nan 8.190 nan 0.000 0.447 334 L N 6.850 128.040 121.223 -0.056 0.000 2.296 334 L HA 0.697 5.037 4.340 0.000 0.000 0.286 334 L C -0.181 176.683 176.870 -0.010 0.000 1.023 334 L CA -0.022 54.805 54.840 -0.022 0.000 0.812 334 L CB 1.869 43.927 42.059 -0.001 0.000 1.223 334 L HN 0.594 nan 8.230 nan 0.000 0.421 335 V N 2.575 122.507 119.914 0.031 0.000 2.628 335 V HA 0.961 5.082 4.120 0.000 0.000 0.306 335 V C 0.167 176.368 176.094 0.179 0.000 1.045 335 V CA -0.642 61.703 62.300 0.075 0.000 0.905 335 V CB 1.367 33.213 31.823 0.038 0.000 0.997 335 V HN 0.937 nan 8.190 nan 0.000 0.436 336 A N 2.807 125.708 122.820 0.135 0.000 2.366 336 A HA 0.359 4.679 4.320 0.000 0.000 0.249 336 A C 1.017 178.731 177.584 0.216 0.000 1.084 336 A CA 0.465 52.589 52.037 0.145 0.000 0.794 336 A CB 0.172 19.225 19.000 0.089 0.000 1.034 336 A HN 1.115 nan 8.150 nan 0.000 0.491 337 D N 0.657 121.191 120.400 0.223 0.000 2.158 337 D HA -0.197 4.443 4.640 0.000 0.000 0.197 337 D C 2.208 178.561 176.300 0.088 0.000 0.995 337 D CA 2.350 56.486 54.000 0.227 0.000 0.846 337 D CB -0.029 40.884 40.800 0.188 0.000 0.941 337 D HN 0.622 nan 8.370 nan 0.000 0.456 338 S N -0.883 114.859 115.700 0.070 0.000 2.387 338 S HA -0.207 4.263 4.470 0.000 0.000 0.230 338 S C 2.195 176.803 174.600 0.014 0.000 1.035 338 S CA 1.565 59.785 58.200 0.033 0.000 1.014 338 S CB -0.871 62.349 63.200 0.034 0.000 0.836 338 S HN 0.170 nan 8.310 nan 0.000 0.466 339 V N 2.183 122.120 119.914 0.039 0.000 2.379 339 V HA -0.071 4.049 4.120 0.000 0.000 0.245 339 V C 2.901 179.002 176.094 0.012 0.000 1.044 339 V CA 1.949 64.270 62.300 0.035 0.000 1.036 339 V CB -0.903 30.961 31.823 0.069 0.000 0.664 339 V HN 0.502 nan 8.190 nan 0.000 0.453 340 R N 0.153 120.620 120.500 -0.054 0.000 2.081 340 R HA -0.171 4.169 4.340 0.000 0.000 0.235 340 R C 2.282 178.431 176.300 -0.251 0.000 1.131 340 R CA 1.758 57.651 56.100 -0.345 0.000 0.960 340 R CB -0.107 29.777 30.300 -0.693 0.000 0.856 340 R HN 0.618 nan 8.270 nan 0.000 0.436 341 E N -0.110 120.003 120.200 -0.144 0.000 2.107 341 E HA -0.130 4.220 4.350 0.000 0.000 0.191 341 E C 1.947 178.503 176.600 -0.073 0.000 0.982 341 E CA 0.958 57.296 56.400 -0.103 0.000 0.809 341 E CB -0.074 29.591 29.700 -0.058 0.000 0.756 341 E HN 0.422 nan 8.360 nan 0.000 0.459 342 A N 1.685 124.474 122.820 -0.053 0.000 1.933 342 A HA -0.143 4.177 4.320 0.000 0.000 0.218 342 A C 2.274 179.836 177.584 -0.037 0.000 1.175 342 A CA 0.978 52.991 52.037 -0.040 0.000 0.628 342 A CB -0.696 18.283 19.000 -0.035 0.000 0.814 342 A HN 0.130 nan 8.150 nan 0.000 0.444 343 L N -0.861 120.342 121.223 -0.034 0.000 2.191 343 L HA 0.033 4.373 4.340 0.000 0.000 0.212 343 L C 1.345 178.194 176.870 -0.035 0.000 1.103 343 L CA 0.608 55.443 54.840 -0.009 0.000 0.769 343 L CB -0.889 41.192 42.059 0.036 0.000 0.908 343 L HN 0.625 nan 8.230 nan 0.000 0.438 344 G N 0.546 109.304 108.800 -0.069 0.000 3.445 344 G HA2 -0.217 3.743 3.960 0.000 0.000 0.634 344 G HA3 -0.217 3.743 3.960 0.000 0.000 0.634 344 G C -0.032 174.818 174.900 -0.084 0.000 0.909 344 G CA -0.200 44.858 45.100 -0.070 0.000 0.740 344 G HN 0.232 nan 8.290 nan 0.000 0.441 345 D N 0.711 121.046 120.400 -0.108 0.000 2.429 345 D HA 0.125 4.765 4.640 0.000 0.000 0.237 345 D C 1.614 177.867 176.300 -0.078 0.000 1.045 345 D CA 1.562 55.491 54.000 -0.118 0.000 0.974 345 D CB -0.045 40.679 40.800 -0.128 0.000 0.871 345 D HN 1.091 nan 8.370 nan 0.000 0.525 346 A N 1.420 124.205 122.820 -0.058 0.000 3.165 346 A HA 0.396 4.716 4.320 0.000 0.000 0.331 346 A C -2.443 175.122 177.584 -0.032 0.000 1.034 346 A CA -1.052 50.960 52.037 -0.042 0.000 0.906 346 A CB 0.526 19.506 19.000 -0.034 0.000 1.054 346 A HN -0.108 nan 8.150 nan 0.000 0.484 347 P HA 0.407 nan 4.420 nan 0.000 0.297 347 P C 0.317 177.609 177.300 -0.013 0.000 1.319 347 P CA -0.259 62.835 63.100 -0.009 0.000 0.810 347 P CB 1.630 33.342 31.700 0.020 0.000 0.947 348 E N 2.210 122.401 120.200 -0.015 0.000 2.031 348 E HA -0.077 4.273 4.350 0.000 0.000 0.193 348 E C 0.679 177.259 176.600 -0.035 0.000 0.994 348 E CA 1.146 57.532 56.400 -0.024 0.000 0.800 348 E CB -0.157 29.529 29.700 -0.023 0.000 0.752 348 E HN 0.561 nan 8.360 nan 0.000 0.447 349 A N 1.509 124.313 122.820 -0.025 0.000 2.527 349 A HA 0.132 4.452 4.320 0.000 0.000 0.313 349 A C -0.596 176.955 177.584 -0.056 0.000 1.410 349 A CA -0.069 51.935 52.037 -0.055 0.000 1.060 349 A CB 0.186 19.172 19.000 -0.024 0.000 1.137 349 A HN 0.077 nan 8.150 nan 0.000 0.542 350 D N 2.771 123.084 120.400 -0.144 0.000 2.752 350 D HA 0.184 4.825 4.640 0.000 0.000 0.242 350 D C 0.286 176.451 176.300 -0.226 0.000 1.295 350 D CA 0.213 54.136 54.000 -0.127 0.000 0.846 350 D CB 0.610 41.455 40.800 0.075 0.000 1.454 350 D HN 0.491 nan 8.370 nan 0.000 0.535 351 G N 1.651 110.125 108.800 -0.543 0.000 3.936 351 G HA2 0.266 4.226 3.960 0.000 0.000 0.296 351 G HA3 0.266 4.226 3.960 0.000 0.000 0.296 351 G C 0.012 174.678 174.900 -0.389 0.000 1.121 351 G CA -0.247 44.630 45.100 -0.370 0.000 0.899 351 G HN 0.220 nan 8.290 nan 0.000 0.542 352 F N 0.713 120.674 119.950 0.019 0.000 2.404 352 F HA 0.407 4.935 4.527 0.000 0.000 0.339 352 F C 0.532 176.282 175.800 -0.085 0.000 1.105 352 F CA -1.102 56.822 58.000 -0.127 0.000 1.087 352 F CB 1.492 40.321 39.000 -0.285 0.000 1.143 352 F HN -0.084 nan 8.300 nan 0.000 0.491 353 Q N 2.681 122.478 119.800 -0.005 0.000 2.261 353 Q HA 0.186 4.526 4.340 0.000 0.000 0.252 353 Q C -1.464 174.450 176.000 -0.143 0.000 0.915 353 Q CA -0.263 55.561 55.803 0.034 0.000 0.915 353 Q CB 1.605 30.358 28.738 0.025 0.000 1.204 353 Q HN 0.613 nan 8.270 nan 0.000 0.421 354 W N 0.900 122.211 121.300 0.019 0.000 2.471 354 W HA 0.407 5.067 4.660 0.000 0.000 0.318 354 W C -0.297 176.270 176.519 0.079 0.000 1.034 354 W CA -0.363 56.977 57.345 -0.008 0.000 1.224 354 W CB 1.472 30.822 29.460 -0.183 0.000 1.335 354 W HN 0.295 nan 8.180 nan 0.000 0.452 355 S N 2.644 118.533 115.700 0.314 0.000 2.500 355 S HA 0.532 5.002 4.470 0.000 0.000 0.301 355 S C -0.727 174.080 174.600 0.345 0.000 1.092 355 S CA -0.887 57.505 58.200 0.320 0.000 1.030 355 S CB 0.875 64.198 63.200 0.205 0.000 1.031 355 S HN 0.223 nan 8.310 nan 0.000 0.483 356 F N 2.109 122.204 119.950 0.241 0.000 2.602 356 F HA 0.401 4.928 4.527 0.001 0.000 0.367 356 F C 1.003 176.791 175.800 -0.020 0.000 1.126 356 F CA 0.624 58.620 58.000 -0.008 0.000 1.321 356 F CB 0.342 39.313 39.000 -0.049 0.000 1.094 356 F HN 0.736 nan 8.300 nan 0.000 0.594 357 A N 1.703 124.556 122.820 0.056 0.000 2.536 357 A HA 0.781 5.102 4.320 0.000 0.000 0.293 357 A C -0.165 177.418 177.584 -0.002 0.000 1.119 357 A CA -0.270 51.793 52.037 0.043 0.000 0.654 357 A CB 0.687 19.715 19.000 0.046 0.000 1.291 357 A HN 1.717 nan 8.150 nan 0.000 0.439 358 G N -0.515 108.290 108.800 0.009 0.000 2.782 358 G HA2 0.159 4.119 3.960 0.000 0.000 0.228 358 G HA3 0.159 4.119 3.960 0.000 0.000 0.228 358 G C -2.242 172.656 174.900 -0.003 0.000 1.372 358 G CA -0.112 44.988 45.100 0.000 0.000 0.862 358 G HN 1.175 nan 8.290 nan 0.000 0.547 359 P HA 0.504 nan 4.420 nan 0.000 0.279 359 P C 0.240 177.535 177.300 -0.008 0.000 1.282 359 P CA -0.403 62.695 63.100 -0.003 0.000 0.788 359 P CB 0.622 32.322 31.700 0.000 0.000 1.139 360 R N -1.071 119.426 120.500 -0.005 0.000 2.404 360 R HA 0.267 4.607 4.340 0.000 0.000 0.237 360 R C 0.540 176.840 176.300 0.001 0.000 0.907 360 R CA 0.159 56.256 56.100 -0.005 0.000 1.063 360 R CB 0.185 30.483 30.300 -0.004 0.000 1.134 360 R HN 0.429 nan 8.270 nan 0.000 0.529 361 R N 0.483 120.984 120.500 0.002 0.000 2.795 361 R HA 0.596 4.936 4.340 0.000 0.000 0.275 361 R C -0.617 175.687 176.300 0.006 0.000 0.981 361 R CA -0.772 55.331 56.100 0.005 0.000 0.917 361 R CB 2.055 32.358 30.300 0.005 0.000 1.202 361 R HN -0.087 nan 8.270 nan 0.000 0.469 362 L N 1.244 122.472 121.223 0.008 0.000 2.431 362 L HA 0.525 4.866 4.340 0.000 0.000 0.266 362 L C 0.046 176.921 176.870 0.008 0.000 0.978 362 L CA -0.969 53.875 54.840 0.008 0.000 0.822 362 L CB 2.740 44.806 42.059 0.011 0.000 1.310 362 L HN 0.353 nan 8.230 nan 0.000 0.409 363 R N 1.104 121.607 120.500 0.005 0.000 2.449 363 R HA 0.348 4.688 4.340 0.000 0.000 0.296 363 R C 1.073 177.377 176.300 0.008 0.000 1.047 363 R CA 1.508 57.610 56.100 0.005 0.000 1.018 363 R CB 0.403 30.704 30.300 0.001 0.000 0.962 363 R HN 0.903 nan 8.270 nan 0.000 0.428 364 G N 3.853 112.660 108.800 0.011 0.000 2.176 364 G HA2 -0.228 3.732 3.960 0.000 0.000 0.253 364 G HA3 -0.228 3.732 3.960 0.000 0.000 0.253 364 G C -0.007 174.905 174.900 0.020 0.000 0.979 364 G CA -0.062 45.047 45.100 0.015 0.000 0.641 364 G HN 0.465 nan 8.290 nan 0.000 0.530 365 I N 0.887 121.469 120.570 0.020 0.000 2.359 365 I HA 0.414 4.584 4.170 0.000 0.000 0.294 365 I C 1.473 177.603 176.117 0.021 0.000 0.987 365 I CA -0.769 60.546 61.300 0.024 0.000 1.225 365 I CB 1.276 39.292 38.000 0.026 0.000 1.366 365 I HN 0.247 nan 8.210 nan 0.000 0.466 366 R N 4.557 125.070 120.500 0.023 0.000 2.221 366 R HA -0.090 4.250 4.340 0.000 0.000 0.215 366 R C 1.135 177.446 176.300 0.018 0.000 1.092 366 R CA 1.848 57.960 56.100 0.020 0.000 0.858 366 R CB -0.494 29.819 30.300 0.021 0.000 0.791 366 R HN 0.842 nan 8.270 nan 0.000 0.442 367 G N -0.471 108.340 108.800 0.019 0.000 2.535 367 G HA2 0.070 4.031 3.960 0.000 0.000 0.282 367 G HA3 0.070 4.031 3.960 0.000 0.000 0.282 367 G C -0.918 173.992 174.900 0.017 0.000 1.350 367 G CA -0.536 44.575 45.100 0.017 0.000 1.039 367 G HN 0.475 nan 8.290 nan 0.000 0.509 368 D N -2.046 118.363 120.400 0.015 0.000 2.390 368 D HA 0.308 4.949 4.640 0.000 0.000 0.236 368 D C -0.117 176.193 176.300 0.017 0.000 1.189 368 D CA 0.624 54.632 54.000 0.014 0.000 0.887 368 D CB 1.291 42.099 40.800 0.013 0.000 1.198 368 D HN 0.127 nan 8.370 nan 0.000 0.444 369 V N 1.706 121.627 119.914 0.012 0.000 2.841 369 V HA 0.418 4.538 4.120 0.000 0.000 0.310 369 V C -1.025 175.067 176.094 -0.004 0.000 1.090 369 V CA -0.742 61.566 62.300 0.013 0.000 0.930 369 V CB 2.030 33.862 31.823 0.016 0.000 1.014 369 V HN 0.451 nan 8.190 nan 0.000 0.425 370 R N 4.356 124.853 120.500 -0.006 0.000 2.295 370 R HA 0.680 5.020 4.340 0.000 0.000 0.324 370 R C -1.645 174.577 176.300 -0.130 0.000 0.968 370 R CA -0.573 55.481 56.100 -0.078 0.000 0.837 370 R CB 1.240 31.520 30.300 -0.032 0.000 1.133 370 R HN 0.495 nan 8.270 nan 0.000 0.450 371 L N 4.870 125.941 121.223 -0.254 0.000 2.342 371 L HA 0.590 4.930 4.340 0.000 0.000 0.271 371 L C -0.988 175.609 176.870 -0.455 0.000 1.008 371 L CA -0.465 54.264 54.840 -0.184 0.000 0.818 371 L CB 1.506 43.525 42.059 -0.067 0.000 1.296 371 L HN 0.502 nan 8.230 nan 0.000 0.427 372 F N 0.882 120.848 119.950 0.027 0.000 2.565 372 F HA 0.588 5.115 4.527 0.000 0.000 0.313 372 F C 0.223 176.012 175.800 -0.019 0.000 1.091 372 F CA -0.814 57.202 58.000 0.026 0.000 0.915 372 F CB 1.790 40.901 39.000 0.185 0.000 1.208 372 F HN 0.296 nan 8.300 nan 0.000 0.453 373 R N 1.748 122.332 120.500 0.141 0.000 2.357 373 R HA 0.728 5.068 4.340 0.000 0.000 0.296 373 R C -1.722 174.509 176.300 -0.114 0.000 1.052 373 R CA -0.314 55.791 56.100 0.007 0.000 0.988 373 R CB 1.004 31.312 30.300 0.014 0.000 1.025 373 R HN 0.572 nan 8.270 nan 0.000 0.469 374 V N 5.298 125.049 119.914 -0.272 0.000 2.495 374 V HA 0.542 4.662 4.120 0.000 0.000 0.298 374 V C -0.019 175.901 176.094 -0.291 0.000 1.031 374 V CA -0.699 61.301 62.300 -0.500 0.000 0.871 374 V CB 1.706 33.023 31.823 -0.842 0.000 0.988 374 V HN 0.838 nan 8.190 nan 0.000 0.432 375 R N 2.541 122.908 120.500 -0.221 0.000 2.867 375 R HA 0.636 4.976 4.340 0.000 0.000 0.268 375 R C -0.394 175.890 176.300 -0.028 0.000 1.014 375 R CA -1.027 55.011 56.100 -0.102 0.000 0.946 375 R CB 2.734 32.995 30.300 -0.064 0.000 1.208 375 R HN 0.618 nan 8.270 nan 0.000 0.477 376 R N 0.000 120.501 120.500 0.001 0.000 2.786 376 R HA 0.000 4.340 4.340 0.000 0.000 0.208 376 R CA 0.000 56.107 56.100 0.012 0.000 0.921 376 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 376 R HN 0.000 nan 8.270 nan 0.000 0.535