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 3oee_1_T DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAS XXXXXXLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.490 175.510 -0.033 0.000 1.280 26 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 26 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 27 L N 2.532 123.724 121.223 -0.052 0.000 2.779 27 L HA 0.247 4.587 4.340 -0.000 0.000 0.239 27 L C 0.843 177.630 176.870 -0.139 0.000 1.245 27 L CA 0.108 54.878 54.840 -0.116 0.000 1.064 27 L CB -0.319 41.631 42.059 -0.182 0.000 1.350 27 L HN 0.426 nan 8.230 nan 0.000 0.455 28 N N -0.605 118.041 118.700 -0.091 0.000 2.672 28 N HA -0.048 4.692 4.740 -0.000 0.000 0.229 28 N C 1.600 177.068 175.510 -0.071 0.000 1.043 28 N CA 0.185 53.186 53.050 -0.082 0.000 0.932 28 N CB 0.283 38.735 38.487 -0.059 0.000 1.500 28 N HN 0.089 nan 8.380 nan 0.000 0.445 29 E N 0.299 120.465 120.200 -0.057 0.000 2.158 29 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 29 E C 0.048 176.610 176.600 -0.063 0.000 0.982 29 E CA 0.714 57.083 56.400 -0.052 0.000 0.823 29 E CB 0.095 29.771 29.700 -0.039 0.000 0.766 29 E HN 0.471 nan 8.360 nan 0.000 0.468 30 T N -3.506 111.009 114.554 -0.065 0.000 2.910 30 T HA 0.813 5.163 4.350 -0.000 0.000 0.287 30 T C 0.212 174.864 174.700 -0.079 0.000 1.050 30 T CA -0.585 61.473 62.100 -0.070 0.000 1.011 30 T CB 1.837 70.678 68.868 -0.046 0.000 1.195 30 T HN 0.049 nan 8.240 nan 0.000 0.540 31 G N 0.078 108.836 108.800 -0.070 0.000 2.706 31 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 31 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 31 G C -1.278 173.634 174.900 0.019 0.000 1.403 31 G CA -0.999 44.072 45.100 -0.049 0.000 0.954 31 G HN 0.647 nan 8.290 nan 0.000 0.500 32 R N 1.037 121.595 120.500 0.096 0.000 2.265 32 R HA 0.337 4.677 4.340 -0.000 0.000 0.319 32 R C -0.344 176.049 176.300 0.155 0.000 1.006 32 R CA -0.570 55.618 56.100 0.147 0.000 0.880 32 R CB 1.880 32.317 30.300 0.229 0.000 1.077 32 R HN 0.302 nan 8.270 nan 0.000 0.454 33 V N 6.325 126.319 119.914 0.133 0.000 2.397 33 V HA -0.002 4.117 4.120 -0.000 0.000 0.262 33 V C 1.894 178.047 176.094 0.099 0.000 1.047 33 V CA 0.121 62.503 62.300 0.137 0.000 1.003 33 V CB 0.316 32.235 31.823 0.160 0.000 1.037 33 V HN 0.732 nan 8.190 nan 0.000 0.480 34 L N 4.094 125.375 121.223 0.097 0.000 2.005 34 L HA 0.192 4.532 4.340 -0.000 0.000 0.207 34 L C 1.072 177.963 176.870 0.035 0.000 1.072 34 L CA 1.850 56.723 54.840 0.055 0.000 0.744 34 L CB -0.106 41.987 42.059 0.058 0.000 0.895 34 L HN 0.810 nan 8.230 nan 0.000 0.433 35 A N -1.443 121.401 122.820 0.040 0.000 2.594 35 A HA 0.560 4.880 4.320 -0.000 0.000 0.296 35 A C -1.721 175.870 177.584 0.013 0.000 1.056 35 A CA -0.421 51.627 52.037 0.019 0.000 0.693 35 A CB 1.427 20.431 19.000 0.007 0.000 1.278 35 A HN -0.217 nan 8.150 nan 0.000 0.408 36 V N 1.192 121.101 119.914 -0.008 0.000 2.483 36 V HA 0.903 5.023 4.120 -0.000 0.000 0.297 36 V C -0.045 176.024 176.094 -0.041 0.000 1.027 36 V CA 0.747 63.027 62.300 -0.034 0.000 0.855 36 V CB 1.407 33.191 31.823 -0.065 0.000 0.995 36 V HN 2.085 nan 8.190 nan 0.000 0.424 37 G N 3.741 112.514 108.800 -0.046 0.000 2.760 37 G HA2 0.560 4.520 3.960 -0.000 0.000 0.296 37 G HA3 0.560 4.520 3.960 -0.000 0.000 0.296 37 G C -0.933 173.935 174.900 -0.053 0.000 1.427 37 G CA -0.191 44.882 45.100 -0.045 0.000 1.109 37 G HN 0.807 nan 8.290 nan 0.000 0.553 38 D N 0.537 120.903 120.400 -0.055 0.000 2.746 38 D HA -0.148 4.491 4.640 -0.000 0.000 0.236 38 D C 1.631 177.886 176.300 -0.076 0.000 1.129 38 D CA 2.617 56.581 54.000 -0.061 0.000 0.691 38 D CB -1.223 39.542 40.800 -0.058 0.000 1.077 38 D HN 2.100 nan 8.370 nan 0.000 0.432 39 G N -1.000 107.749 108.800 -0.084 0.000 2.189 39 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.267 39 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.267 39 G C 0.226 175.056 174.900 -0.118 0.000 0.975 39 G CA 0.395 45.432 45.100 -0.106 0.000 0.644 39 G HN 0.523 nan 8.290 nan 0.000 0.537 40 I N 1.118 121.632 120.570 -0.093 0.000 2.330 40 I HA 0.652 4.822 4.170 -0.000 0.000 0.286 40 I C 0.627 176.714 176.117 -0.050 0.000 1.025 40 I CA -1.192 60.064 61.300 -0.073 0.000 1.197 40 I CB 0.617 38.580 38.000 -0.061 0.000 1.358 40 I HN 0.293 nan 8.210 nan 0.000 0.467 41 A N 7.703 130.505 122.820 -0.031 0.000 2.269 41 A HA 0.599 4.918 4.320 -0.000 0.000 0.302 41 A C 0.262 177.896 177.584 0.083 0.000 1.266 41 A CA -0.579 51.472 52.037 0.024 0.000 0.894 41 A CB 0.366 19.390 19.000 0.039 0.000 1.147 41 A HN 0.690 nan 8.150 nan 0.000 0.537 42 R N 1.554 122.095 120.500 0.069 0.000 2.312 42 R HA 0.571 4.911 4.340 -0.000 0.000 0.311 42 R C -1.070 175.293 176.300 0.106 0.000 1.004 42 R CA -0.376 55.768 56.100 0.073 0.000 0.902 42 R CB 1.724 32.053 30.300 0.047 0.000 1.073 42 R HN 0.468 nan 8.270 nan 0.000 0.457 43 V N 3.872 123.850 119.914 0.106 0.000 2.735 43 V HA 0.386 4.506 4.120 -0.000 0.000 0.310 43 V C -0.974 175.208 176.094 0.147 0.000 1.061 43 V CA -0.874 61.497 62.300 0.118 0.000 0.913 43 V CB 1.832 33.697 31.823 0.069 0.000 1.005 43 V HN 0.569 nan 8.190 nan 0.000 0.428 44 F N 3.503 123.461 119.950 0.014 0.000 2.427 44 F HA 0.852 5.379 4.527 -0.000 0.000 0.346 44 F C 0.590 176.389 175.800 -0.002 0.000 1.120 44 F CA 1.016 59.019 58.000 0.005 0.000 1.033 44 F CB 1.221 40.225 39.000 0.006 0.000 1.126 44 F HN 0.908 nan 8.300 nan 0.000 0.462 45 G N 4.174 112.533 108.800 -0.736 0.000 2.395 45 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.201 45 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.201 45 G C -0.207 174.519 174.900 -0.290 0.000 1.206 45 G CA -0.539 44.232 45.100 -0.548 0.000 1.210 45 G HN 1.230 nan 8.290 nan 0.000 0.557 46 L N 0.239 121.351 121.223 -0.186 0.000 3.879 46 L HA -0.227 4.113 4.340 -0.000 0.000 0.481 46 L C 1.453 178.252 176.870 -0.119 0.000 1.232 46 L CA 0.444 55.208 54.840 -0.127 0.000 0.736 46 L CB -1.168 40.828 42.059 -0.104 0.000 1.511 46 L HN 0.591 nan 8.230 nan 0.000 0.830 47 N N 0.513 119.138 118.700 -0.125 0.000 2.142 47 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 47 N C 1.306 176.776 175.510 -0.067 0.000 1.023 47 N CA 1.637 54.625 53.050 -0.103 0.000 0.852 47 N CB -0.121 38.304 38.487 -0.103 0.000 0.998 47 N HN 0.556 nan 8.380 nan 0.000 0.424 48 N N 0.670 119.335 118.700 -0.058 0.000 2.398 48 N HA 0.024 4.764 4.740 -0.000 0.000 0.188 48 N C 0.374 175.863 175.510 -0.035 0.000 1.122 48 N CA -0.067 52.958 53.050 -0.041 0.000 0.866 48 N CB 0.583 39.049 38.487 -0.036 0.000 0.970 48 N HN 0.338 nan 8.380 nan 0.000 0.462 49 I N 1.985 122.531 120.570 -0.040 0.000 2.598 49 I HA -0.093 4.077 4.170 -0.000 0.000 0.284 49 I C 0.157 176.262 176.117 -0.019 0.000 1.140 49 I CA -0.217 61.065 61.300 -0.031 0.000 1.420 49 I CB 0.476 38.454 38.000 -0.037 0.000 1.387 49 I HN 0.032 nan 8.210 nan 0.000 0.553 50 Q N 5.778 125.572 119.800 -0.010 0.000 2.421 50 Q HA 0.313 4.653 4.340 -0.000 0.000 0.255 50 Q C 0.124 176.127 176.000 0.004 0.000 1.013 50 Q CA -0.488 55.314 55.803 -0.002 0.000 0.895 50 Q CB 0.637 29.377 28.738 0.002 0.000 1.271 50 Q HN 0.789 nan 8.270 nan 0.000 0.460 51 A N 2.230 125.055 122.820 0.009 0.000 2.477 51 A HA 0.110 4.430 4.320 -0.000 0.000 0.246 51 A C -0.071 177.529 177.584 0.027 0.000 1.078 51 A CA -0.101 51.946 52.037 0.016 0.000 0.770 51 A CB -0.078 18.932 19.000 0.016 0.000 1.011 51 A HN 0.912 nan 8.150 nan 0.000 0.494 52 E N -0.427 119.796 120.200 0.037 0.000 2.340 52 E HA -0.190 4.160 4.350 -0.000 0.000 0.240 52 E C -0.143 176.494 176.600 0.062 0.000 1.154 52 E CA 1.215 57.650 56.400 0.059 0.000 0.717 52 E CB -1.339 28.395 29.700 0.057 0.000 1.250 52 E HN 0.829 nan 8.360 nan 0.000 0.386 53 E N 0.247 120.480 120.200 0.055 0.000 2.232 53 E HA 0.532 4.882 4.350 -0.000 0.000 0.264 53 E C -0.866 175.778 176.600 0.072 0.000 0.973 53 E CA -0.965 55.463 56.400 0.048 0.000 0.849 53 E CB 1.050 30.762 29.700 0.020 0.000 1.198 53 E HN 0.092 nan 8.360 nan 0.000 0.407 54 L N 3.675 124.936 121.223 0.062 0.000 2.292 54 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 54 L C -0.489 176.405 176.870 0.039 0.000 1.065 54 L CA -0.175 54.716 54.840 0.084 0.000 0.806 54 L CB 1.265 43.358 42.059 0.057 0.000 1.175 54 L HN 0.423 nan 8.230 nan 0.000 0.431 55 V N 1.189 121.128 119.914 0.041 0.000 3.166 55 V HA 0.710 4.830 4.120 -0.000 0.000 0.317 55 V C -0.731 175.317 176.094 -0.077 0.000 1.136 55 V CA -0.791 61.466 62.300 -0.073 0.000 1.035 55 V CB 1.861 33.565 31.823 -0.197 0.000 1.110 55 V HN 0.810 nan 8.190 nan 0.000 0.450 56 E N 0.101 120.180 120.200 -0.201 0.000 2.260 56 E HA 0.555 4.905 4.350 -0.000 0.000 0.266 56 E C -1.861 174.608 176.600 -0.218 0.000 0.887 56 E CA -0.569 55.770 56.400 -0.103 0.000 0.777 56 E CB 1.683 31.361 29.700 -0.036 0.000 1.205 56 E HN 0.616 nan 8.360 nan 0.000 0.414 57 F N 1.374 121.345 119.950 0.035 0.000 2.408 57 F HA 0.232 4.759 4.527 -0.000 0.000 0.325 57 F C 1.769 177.584 175.800 0.024 0.000 1.082 57 F CA -0.364 57.653 58.000 0.029 0.000 1.032 57 F CB 1.546 40.564 39.000 0.030 0.000 1.259 57 F HN 0.457 nan 8.300 nan 0.000 0.503 58 S N 0.038 115.872 115.700 0.223 0.000 2.383 58 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 58 S C 2.201 176.864 174.600 0.106 0.000 1.030 58 S CA 1.630 59.904 58.200 0.124 0.000 1.002 58 S CB -0.487 62.774 63.200 0.103 0.000 0.829 58 S HN 0.755 nan 8.310 nan 0.000 0.467 59 S N 0.520 116.292 115.700 0.121 0.000 2.355 59 S HA 0.175 4.645 4.470 -0.000 0.000 0.222 59 S C 1.736 176.386 174.600 0.083 0.000 1.031 59 S CA 1.261 59.509 58.200 0.080 0.000 0.993 59 S CB -0.517 62.717 63.200 0.056 0.000 0.859 59 S HN 0.776 nan 8.310 nan 0.000 0.453 60 G N -0.086 108.787 108.800 0.121 0.000 2.425 60 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.177 60 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.177 60 G C 0.019 174.999 174.900 0.134 0.000 0.999 60 G CA -0.126 45.038 45.100 0.107 0.000 0.723 60 G HN 0.771 nan 8.290 nan 0.000 0.491 61 V N 1.580 121.587 119.914 0.154 0.000 2.811 61 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 61 V C 0.388 176.682 176.094 0.333 0.000 1.063 61 V CA 0.183 62.583 62.300 0.167 0.000 1.088 61 V CB 1.214 33.069 31.823 0.054 0.000 0.982 61 V HN 0.270 nan 8.190 nan 0.000 0.485 62 K N 3.696 124.289 120.400 0.321 0.000 2.238 62 K HA 0.783 5.103 4.320 -0.000 0.000 0.239 62 K C -0.153 176.758 176.600 0.518 0.000 0.987 62 K CA -0.323 56.202 56.287 0.396 0.000 0.857 62 K CB 2.024 34.676 32.500 0.253 0.000 1.154 62 K HN 0.899 nan 8.250 nan 0.000 0.439 63 G N 0.454 109.559 108.800 0.509 0.000 2.725 63 G HA2 0.585 4.545 3.960 -0.000 0.000 0.288 63 G HA3 0.585 4.545 3.960 -0.000 0.000 0.288 63 G C -1.703 173.404 174.900 0.344 0.000 1.399 63 G CA -0.715 44.637 45.100 0.420 0.000 0.859 63 G HN 0.503 nan 8.290 nan 0.000 0.479 64 M N 1.190 120.898 119.600 0.179 0.000 2.321 64 M HA 0.699 5.179 4.480 -0.000 0.000 0.315 64 M C -0.154 176.197 176.300 0.085 0.000 1.052 64 M CA -0.903 54.517 55.300 0.201 0.000 0.936 64 M CB 1.925 34.689 32.600 0.272 0.000 1.639 64 M HN 0.675 nan 8.290 nan 0.000 0.433 65 A N 4.892 127.758 122.820 0.077 0.000 2.410 65 A HA 0.313 4.633 4.320 -0.000 0.000 0.292 65 A C 0.149 177.753 177.584 0.032 0.000 1.232 65 A CA -0.489 51.572 52.037 0.040 0.000 0.893 65 A CB -0.140 18.876 19.000 0.026 0.000 1.131 65 A HN 0.988 nan 8.150 nan 0.000 0.530 66 L N 3.375 124.605 121.223 0.012 0.000 2.046 66 L HA 0.206 4.546 4.340 -0.000 0.000 0.203 66 L C 0.796 177.669 176.870 0.004 0.000 1.111 66 L CA 1.804 56.645 54.840 0.001 0.000 0.769 66 L CB -0.343 41.697 42.059 -0.033 0.000 0.914 66 L HN 0.831 nan 8.230 nan 0.000 0.448 67 N N -0.256 118.442 118.700 -0.003 0.000 2.372 67 N HA 0.478 5.218 4.740 -0.000 0.000 0.285 67 N C -1.584 173.927 175.510 0.002 0.000 1.008 67 N CA -0.608 52.442 53.050 0.000 0.000 0.880 67 N CB 0.994 39.479 38.487 -0.004 0.000 1.239 67 N HN 0.266 nan 8.380 nan 0.000 0.484 68 L N 1.187 122.412 121.223 0.003 0.000 2.264 68 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 68 L C 0.294 177.165 176.870 0.002 0.000 1.044 68 L CA -0.630 54.209 54.840 -0.000 0.000 0.807 68 L CB 0.854 42.910 42.059 -0.005 0.000 1.192 68 L HN 0.602 nan 8.230 nan 0.000 0.425 69 E N 3.681 123.884 120.200 0.006 0.000 2.264 69 E HA 0.408 4.758 4.350 -0.000 0.000 0.260 69 E C -2.300 174.307 176.600 0.012 0.000 0.961 69 E CA -2.041 54.365 56.400 0.011 0.000 0.834 69 E CB 1.471 31.182 29.700 0.018 0.000 1.230 69 E HN 0.397 nan 8.360 nan 0.000 0.412 70 P HA 0.036 nan 4.420 nan 0.000 0.263 70 P C 0.342 177.668 177.300 0.044 0.000 1.247 70 P CA 0.648 63.761 63.100 0.022 0.000 0.876 70 P CB 0.219 31.932 31.700 0.021 0.000 0.928 71 G N 3.393 112.221 108.800 0.047 0.000 2.491 71 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.203 71 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.203 71 G C -0.177 174.800 174.900 0.129 0.000 1.052 71 G CA 0.112 45.281 45.100 0.114 0.000 0.675 71 G HN 0.734 nan 8.290 nan 0.000 0.504 72 Q N -0.124 119.728 119.800 0.087 0.000 2.379 72 Q HA 0.752 5.092 4.340 -0.000 0.000 0.278 72 Q C -1.135 174.887 176.000 0.036 0.000 1.068 72 Q CA -1.057 54.797 55.803 0.085 0.000 0.816 72 Q CB 2.813 31.628 28.738 0.129 0.000 1.387 72 Q HN 0.467 nan 8.270 nan 0.000 0.413 73 V N 1.568 121.497 119.914 0.026 0.000 2.472 73 V HA 0.704 4.824 4.120 -0.000 0.000 0.290 73 V C 0.503 176.613 176.094 0.027 0.000 1.037 73 V CA -0.219 62.089 62.300 0.014 0.000 0.908 73 V CB 1.563 33.384 31.823 -0.003 0.000 0.985 73 V HN 0.885 nan 8.190 nan 0.000 0.454 74 G N 4.887 113.697 108.800 0.017 0.000 2.349 74 G HA2 0.603 4.563 3.960 -0.000 0.000 0.281 74 G HA3 0.603 4.563 3.960 -0.000 0.000 0.281 74 G C -0.654 174.254 174.900 0.015 0.000 1.182 74 G CA -0.261 44.846 45.100 0.012 0.000 0.899 74 G HN 0.602 nan 8.290 nan 0.000 0.455 75 I N 2.524 123.113 120.570 0.032 0.000 2.436 75 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 75 I C -0.288 175.828 176.117 -0.003 0.000 1.010 75 I CA -0.952 60.378 61.300 0.050 0.000 1.098 75 I CB 2.399 40.489 38.000 0.151 0.000 1.266 75 I HN 0.071 nan 8.210 nan 0.000 0.434 76 V N 7.052 126.919 119.914 -0.077 0.000 2.461 76 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 76 V C 0.487 176.403 176.094 -0.297 0.000 1.047 76 V CA -0.461 61.716 62.300 -0.205 0.000 0.955 76 V CB 1.118 32.772 31.823 -0.283 0.000 0.988 76 V HN 0.485 nan 8.190 nan 0.000 0.471 77 L N 4.418 125.483 121.223 -0.263 0.000 2.464 77 L HA 0.296 4.636 4.340 -0.000 0.000 0.264 77 L C -0.108 176.532 176.870 -0.382 0.000 1.199 77 L CA 0.096 54.798 54.840 -0.231 0.000 0.818 77 L CB 0.270 42.213 42.059 -0.192 0.000 1.102 77 L HN 0.528 nan 8.230 nan 0.000 0.473 78 F N 0.998 120.982 119.950 0.056 0.000 2.798 78 F HA 0.543 5.070 4.527 -0.000 0.000 0.333 78 F C 0.692 176.513 175.800 0.035 0.000 1.324 78 F CA -0.379 57.658 58.000 0.062 0.000 1.183 78 F CB 0.729 39.779 39.000 0.083 0.000 1.132 78 F HN 0.491 nan 8.300 nan 0.000 0.521 79 G N -0.903 107.961 108.800 0.107 0.000 2.321 79 G HA2 0.289 4.249 3.960 -0.000 0.000 0.296 79 G HA3 0.289 4.249 3.960 -0.000 0.000 0.296 79 G C -1.385 173.509 174.900 -0.010 0.000 1.287 79 G CA -0.844 44.289 45.100 0.056 0.000 0.846 79 G HN 0.002 nan 8.290 nan 0.000 0.508 80 S N -0.702 114.987 115.700 -0.017 0.000 2.576 80 S HA 0.311 4.781 4.470 -0.000 0.000 0.276 80 S C 1.094 175.648 174.600 -0.077 0.000 1.339 80 S CA 0.268 58.446 58.200 -0.037 0.000 1.039 80 S CB 0.625 63.812 63.200 -0.022 0.000 0.902 80 S HN 0.423 nan 8.310 nan 0.000 0.516 81 D N 2.815 123.168 120.400 -0.079 0.000 2.218 81 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 81 D C 1.867 178.109 176.300 -0.096 0.000 0.976 81 D CA 0.816 54.754 54.000 -0.102 0.000 0.853 81 D CB -0.246 40.507 40.800 -0.078 0.000 0.939 81 D HN 0.613 nan 8.370 nan 0.000 0.481 82 R N 0.724 121.185 120.500 -0.066 0.000 2.103 82 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 82 R C 2.053 178.320 176.300 -0.055 0.000 1.142 82 R CA 0.968 57.038 56.100 -0.049 0.000 0.960 82 R CB -0.260 30.021 30.300 -0.031 0.000 0.858 82 R HN 0.202 nan 8.270 nan 0.000 0.439 83 L N 0.569 121.751 121.223 -0.068 0.000 2.465 83 L HA 0.073 4.413 4.340 -0.000 0.000 0.224 83 L C 0.091 176.904 176.870 -0.094 0.000 1.145 83 L CA -0.005 54.799 54.840 -0.060 0.000 0.834 83 L CB 0.315 42.347 42.059 -0.044 0.000 0.944 83 L HN -0.050 nan 8.230 nan 0.000 0.451 84 V N 0.437 120.251 119.914 -0.167 0.000 2.417 84 V HA 0.284 4.404 4.120 -0.000 0.000 0.291 84 V C 0.094 176.130 176.094 -0.097 0.000 1.024 84 V CA -0.771 61.404 62.300 -0.208 0.000 0.861 84 V CB 1.690 33.196 31.823 -0.528 0.000 0.985 84 V HN 0.131 nan 8.190 nan 0.000 0.436 85 K N 2.192 122.578 120.400 -0.023 0.000 2.393 85 K HA 0.532 4.852 4.320 -0.000 0.000 0.241 85 K C -0.267 176.349 176.600 0.026 0.000 1.055 85 K CA -0.870 55.417 56.287 -0.000 0.000 0.951 85 K CB 1.645 34.153 32.500 0.013 0.000 1.285 85 K HN 0.737 nan 8.250 nan 0.000 0.500 86 E N 0.014 120.228 120.200 0.024 0.000 2.259 86 E HA 0.197 4.547 4.350 -0.000 0.000 0.281 86 E C 0.072 176.698 176.600 0.044 0.000 1.027 86 E CA 0.157 56.578 56.400 0.036 0.000 0.838 86 E CB 0.505 30.217 29.700 0.019 0.000 1.066 86 E HN 0.739 nan 8.360 nan 0.000 0.401 87 G N 3.700 112.537 108.800 0.061 0.000 2.141 87 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.231 87 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.231 87 G C -0.157 174.783 174.900 0.067 0.000 0.984 87 G CA 0.160 45.295 45.100 0.058 0.000 0.660 87 G HN 0.591 nan 8.290 nan 0.000 0.525 88 E N -0.670 119.585 120.200 0.091 0.000 2.283 88 E HA 0.584 4.934 4.350 -0.000 0.000 0.271 88 E C -0.164 176.494 176.600 0.096 0.000 1.031 88 E CA -0.970 55.490 56.400 0.100 0.000 0.868 88 E CB 1.645 31.427 29.700 0.136 0.000 1.094 88 E HN 0.115 nan 8.360 nan 0.000 0.401 89 L N 2.658 123.920 121.223 0.065 0.000 2.319 89 L HA 0.156 4.496 4.340 -0.000 0.000 0.280 89 L C -1.068 175.789 176.870 -0.022 0.000 1.099 89 L CA -0.127 54.728 54.840 0.025 0.000 0.828 89 L CB 1.056 43.124 42.059 0.015 0.000 1.150 89 L HN 0.234 nan 8.230 nan 0.000 0.442 90 V N 4.910 124.766 119.914 -0.096 0.000 2.417 90 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 90 V C -0.135 175.837 176.094 -0.203 0.000 1.024 90 V CA -0.966 61.172 62.300 -0.271 0.000 0.861 90 V CB 1.410 32.952 31.823 -0.468 0.000 0.985 90 V HN 0.654 nan 8.190 nan 0.000 0.436 91 K N 3.520 123.803 120.400 -0.195 0.000 2.156 91 K HA 0.645 4.965 4.320 -0.000 0.000 0.254 91 K C -0.097 176.433 176.600 -0.117 0.000 0.950 91 K CA -0.859 55.356 56.287 -0.120 0.000 0.849 91 K CB 2.217 34.671 32.500 -0.076 0.000 1.100 91 K HN 0.537 nan 8.250 nan 0.000 0.434 92 R N -0.014 120.437 120.500 -0.082 0.000 2.652 92 R HA 0.194 4.534 4.340 -0.000 0.000 0.272 92 R C 0.317 176.592 176.300 -0.042 0.000 1.162 92 R CA 0.167 56.230 56.100 -0.061 0.000 1.199 92 R CB 0.514 30.784 30.300 -0.049 0.000 1.166 92 R HN 0.690 nan 8.270 nan 0.000 0.597 93 T N -1.734 112.803 114.554 -0.028 0.000 3.073 93 T HA 0.179 4.529 4.350 -0.000 0.000 0.264 93 T C 0.939 175.632 174.700 -0.013 0.000 0.893 93 T CA 0.223 62.313 62.100 -0.018 0.000 0.863 93 T CB 1.111 69.973 68.868 -0.010 0.000 1.247 93 T HN 0.850 nan 8.240 nan 0.000 0.546 94 G N 3.085 111.878 108.800 -0.013 0.000 2.336 94 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.233 94 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.233 94 G C -0.007 174.891 174.900 -0.004 0.000 1.053 94 G CA 0.060 45.154 45.100 -0.010 0.000 0.625 94 G HN 0.721 nan 8.290 nan 0.000 0.511 95 N N 1.524 120.223 118.700 -0.002 0.000 2.479 95 N HA 0.543 5.283 4.740 -0.000 0.000 0.285 95 N C 0.075 175.590 175.510 0.008 0.000 1.075 95 N CA -0.852 52.199 53.050 0.002 0.000 0.967 95 N CB 1.693 40.179 38.487 -0.002 0.000 1.137 95 N HN 0.078 nan 8.380 nan 0.000 0.472 96 I N 1.555 122.131 120.570 0.010 0.000 2.692 96 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 96 I C 0.946 177.072 176.117 0.015 0.000 1.159 96 I CA -0.476 60.835 61.300 0.017 0.000 1.423 96 I CB 0.724 38.735 38.000 0.017 0.000 1.380 96 I HN 0.369 nan 8.210 nan 0.000 0.580 97 V N 6.185 126.114 119.914 0.024 0.000 2.832 97 V HA -0.171 3.949 4.120 -0.000 0.000 0.284 97 V C 0.286 176.373 176.094 -0.012 0.000 0.997 97 V CA 0.431 62.736 62.300 0.008 0.000 1.196 97 V CB -1.606 30.232 31.823 0.025 0.000 0.832 97 V HN 0.876 nan 8.190 nan 0.000 0.453 98 D N 4.329 124.715 120.400 -0.023 0.000 2.533 98 D HA 0.801 5.441 4.640 -0.000 0.000 0.247 98 D C -0.457 175.819 176.300 -0.039 0.000 1.056 98 D CA -0.723 53.264 54.000 -0.021 0.000 1.054 98 D CB 2.279 43.073 40.800 -0.010 0.000 1.400 98 D HN 0.433 nan 8.370 nan 0.000 0.533 99 V N -4.948 114.947 119.914 -0.032 0.000 3.087 99 V HA 0.658 4.778 4.120 -0.000 0.000 0.306 99 V C -2.946 173.117 176.094 -0.051 0.000 1.187 99 V CA -2.227 60.046 62.300 -0.044 0.000 0.999 99 V CB 1.465 33.264 31.823 -0.041 0.000 1.049 99 V HN 0.447 nan 8.190 nan 0.000 0.431 100 P HA 0.427 nan 4.420 nan 0.000 0.268 100 P C -0.233 176.980 177.300 -0.144 0.000 1.205 100 P CA 0.121 63.161 63.100 -0.101 0.000 0.771 100 P CB 1.055 32.696 31.700 -0.099 0.000 0.858 101 V N -0.489 119.286 119.914 -0.231 0.000 3.271 101 V HA 0.986 5.106 4.120 -0.000 0.000 0.305 101 V C 0.254 175.883 176.094 -0.774 0.000 1.303 101 V CA -0.348 61.710 62.300 -0.404 0.000 1.038 101 V CB 0.596 32.244 31.823 -0.291 0.000 1.197 101 V HN 0.913 nan 8.190 nan 0.000 0.478 102 G N -0.238 107.574 108.800 -1.647 0.000 2.795 102 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.664 102 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.664 102 G C -2.114 171.962 174.900 -1.375 0.000 1.381 102 G CA -0.046 43.674 45.100 -2.299 0.000 0.853 102 G HN 0.957 nan 8.290 nan 0.000 0.545 103 P HA 0.124 nan 4.420 nan 0.000 0.249 103 P C 1.515 178.669 177.300 -0.243 0.000 1.241 103 P CA 1.347 64.222 63.100 -0.375 0.000 0.781 103 P CB -0.020 31.614 31.700 -0.109 0.000 1.088 104 G N -0.050 108.571 108.800 -0.298 0.000 2.572 104 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 104 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 104 G C 1.243 176.055 174.900 -0.147 0.000 1.133 104 G CA 0.103 45.091 45.100 -0.187 0.000 0.791 104 G HN 0.191 nan 8.290 nan 0.000 0.538 105 L N 0.043 121.167 121.223 -0.165 0.000 2.217 105 L HA 0.236 4.576 4.340 -0.000 0.000 0.211 105 L C 0.911 177.752 176.870 -0.049 0.000 1.107 105 L CA 0.058 54.839 54.840 -0.098 0.000 0.783 105 L CB -0.346 41.657 42.059 -0.093 0.000 0.919 105 L HN 0.043 nan 8.230 nan 0.000 0.442 106 L N 0.414 121.612 121.223 -0.042 0.000 2.578 106 L HA 0.180 4.520 4.340 -0.000 0.000 0.279 106 L C 1.391 178.239 176.870 -0.037 0.000 1.227 106 L CA 1.445 56.268 54.840 -0.028 0.000 0.900 106 L CB -0.232 41.790 42.059 -0.062 0.000 1.144 106 L HN 0.357 nan 8.230 nan 0.000 0.496 107 G N 1.793 110.571 108.800 -0.038 0.000 2.176 107 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 107 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 107 G C 0.332 175.208 174.900 -0.041 0.000 0.979 107 G CA -0.334 44.737 45.100 -0.049 0.000 0.641 107 G HN 0.444 nan 8.290 nan 0.000 0.530 108 R N -0.413 120.068 120.500 -0.032 0.000 2.803 108 R HA 0.698 5.038 4.340 -0.000 0.000 0.276 108 R C -0.314 175.977 176.300 -0.015 0.000 0.978 108 R CA -0.730 55.354 56.100 -0.027 0.000 0.939 108 R CB 1.912 32.193 30.300 -0.032 0.000 1.179 108 R HN 0.196 nan 8.270 nan 0.000 0.472 109 V N 2.257 122.164 119.914 -0.011 0.000 2.481 109 V HA 0.512 4.632 4.120 -0.000 0.000 0.286 109 V C 0.516 176.609 176.094 -0.002 0.000 1.042 109 V CA -0.646 61.654 62.300 0.001 0.000 0.928 109 V CB 1.429 33.255 31.823 0.005 0.000 0.986 109 V HN 0.650 nan 8.190 nan 0.000 0.462 110 V N 1.112 121.028 119.914 0.004 0.000 3.156 110 V HA 0.882 5.002 4.120 -0.000 0.000 0.310 110 V C -0.899 175.196 176.094 0.002 0.000 1.234 110 V CA -0.822 61.476 62.300 -0.004 0.000 1.065 110 V CB 2.254 34.069 31.823 -0.015 0.000 1.088 110 V HN 0.809 nan 8.190 nan 0.000 0.451 111 D N 0.347 120.744 120.400 -0.006 0.000 2.627 111 D HA 0.665 5.305 4.640 -0.000 0.000 0.259 111 D C 0.778 177.066 176.300 -0.020 0.000 1.164 111 D CA -0.179 53.819 54.000 -0.004 0.000 1.087 111 D CB 1.000 41.800 40.800 0.000 0.000 1.217 111 D HN 0.890 nan 8.370 nan 0.000 0.630 112 A N -0.947 121.858 122.820 -0.026 0.000 2.255 112 A HA 0.172 4.492 4.320 -0.000 0.000 0.206 112 A C 1.247 178.758 177.584 -0.122 0.000 1.193 112 A CA 0.489 52.495 52.037 -0.052 0.000 0.794 112 A CB -0.909 18.074 19.000 -0.027 0.000 0.794 112 A HN 0.479 nan 8.150 nan 0.000 0.481 113 L N -3.591 117.565 121.223 -0.112 0.000 3.327 113 L HA 0.338 4.678 4.340 -0.000 0.000 0.299 113 L C 1.516 178.334 176.870 -0.087 0.000 1.201 113 L CA 0.538 55.293 54.840 -0.141 0.000 1.059 113 L CB 0.737 42.689 42.059 -0.178 0.000 1.488 113 L HN 0.469 nan 8.230 nan 0.000 0.609 114 G N -0.019 108.744 108.800 -0.061 0.000 2.612 114 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.200 114 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.200 114 G C 0.079 174.955 174.900 -0.040 0.000 1.053 114 G CA -0.368 44.702 45.100 -0.050 0.000 0.707 114 G HN 0.242 nan 8.290 nan 0.000 0.497 115 N N 3.708 122.387 118.700 -0.035 0.000 2.293 115 N HA 0.209 4.949 4.740 -0.000 0.000 0.253 115 N C -2.497 173.002 175.510 -0.018 0.000 1.248 115 N CA 0.211 53.247 53.050 -0.023 0.000 0.845 115 N CB 0.428 38.907 38.487 -0.015 0.000 1.073 115 N HN 0.355 nan 8.380 nan 0.000 0.464 116 P HA 0.085 nan 4.420 nan 0.000 0.271 116 P C 0.593 177.889 177.300 -0.006 0.000 1.218 116 P CA -0.038 63.053 63.100 -0.014 0.000 0.780 116 P CB 0.592 32.282 31.700 -0.016 0.000 0.901 117 I N -1.272 119.297 120.570 -0.003 0.000 4.240 117 I HA 0.163 4.333 4.170 -0.000 0.000 0.331 117 I C 0.822 176.939 176.117 0.001 0.000 1.381 117 I CA -0.137 61.165 61.300 0.003 0.000 1.136 117 I CB -0.101 37.904 38.000 0.009 0.000 1.137 117 I HN 0.067 nan 8.210 nan 0.000 0.411 118 D N 1.899 122.297 120.400 -0.004 0.000 2.213 118 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 118 D C 1.560 177.855 176.300 -0.008 0.000 0.961 118 D CA 0.926 54.922 54.000 -0.007 0.000 0.853 118 D CB -0.398 40.395 40.800 -0.012 0.000 0.967 118 D HN 0.383 nan 8.370 nan 0.000 0.496 119 G N 0.547 109.342 108.800 -0.009 0.000 2.473 119 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.289 119 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.289 119 G C 0.140 175.033 174.900 -0.011 0.000 1.084 119 G CA 0.158 45.253 45.100 -0.008 0.000 1.215 119 G HN 0.420 nan 8.290 nan 0.000 0.527 120 K N -0.053 120.339 120.400 -0.014 0.000 2.734 120 K HA 0.511 4.831 4.320 -0.000 0.000 0.200 120 K C 0.928 177.518 176.600 -0.017 0.000 1.120 120 K CA 0.157 56.434 56.287 -0.015 0.000 1.067 120 K CB 0.858 33.347 32.500 -0.017 0.000 0.771 120 K HN 1.861 nan 8.250 nan 0.000 0.481 121 G N 1.750 110.540 108.800 -0.016 0.000 2.462 121 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.685 121 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.685 121 G C -2.986 171.902 174.900 -0.021 0.000 1.295 121 G CA -1.305 43.785 45.100 -0.017 0.000 0.941 121 G HN -0.054 nan 8.290 nan 0.000 0.554 122 P HA 0.553 nan 4.420 nan 0.000 0.275 122 P C 0.289 177.567 177.300 -0.036 0.000 1.270 122 P CA -0.695 62.388 63.100 -0.027 0.000 0.791 122 P CB 0.366 32.051 31.700 -0.025 0.000 1.089 123 I N 0.403 120.946 120.570 -0.044 0.000 2.532 123 I HA 0.105 4.275 4.170 -0.000 0.000 0.292 123 I C 0.548 176.624 176.117 -0.069 0.000 1.014 123 I CA -0.185 61.080 61.300 -0.059 0.000 1.340 123 I CB 0.195 38.154 38.000 -0.067 0.000 1.422 123 I HN 0.347 nan 8.210 nan 0.000 0.528 124 D N 4.272 124.621 120.400 -0.085 0.000 2.713 124 D HA 0.368 5.008 4.640 -0.000 0.000 0.229 124 D C 0.146 176.364 176.300 -0.138 0.000 1.136 124 D CA -0.135 53.808 54.000 -0.096 0.000 1.010 124 D CB 0.086 40.831 40.800 -0.091 0.000 1.084 124 D HN 0.628 nan 8.370 nan 0.000 0.495 125 A N 1.371 124.115 122.820 -0.126 0.000 2.440 125 A HA 0.550 4.870 4.320 -0.000 0.000 0.251 125 A C 1.075 178.567 177.584 -0.154 0.000 1.089 125 A CA 0.167 52.110 52.037 -0.157 0.000 0.779 125 A CB 0.978 19.909 19.000 -0.114 0.000 1.022 125 A HN 0.534 nan 8.150 nan 0.000 0.492 126 A N 2.742 125.430 122.820 -0.219 0.000 1.909 126 A HA 0.577 4.897 4.320 -0.000 0.000 0.210 126 A C 1.254 178.806 177.584 -0.054 0.000 1.273 126 A CA 1.210 53.158 52.037 -0.148 0.000 0.654 126 A CB -0.597 18.264 19.000 -0.232 0.000 0.945 126 A HN 1.417 nan 8.150 nan 0.000 0.471 127 G N -0.934 107.834 108.800 -0.053 0.000 3.108 127 G HA2 0.599 4.559 3.960 -0.000 0.000 0.268 127 G HA3 0.599 4.559 3.960 -0.000 0.000 0.268 127 G C -0.905 173.987 174.900 -0.014 0.000 1.361 127 G CA -0.837 44.276 45.100 0.022 0.000 1.047 127 G HN 0.280 nan 8.290 nan 0.000 0.540 128 R N -0.125 120.384 120.500 0.014 0.000 2.513 128 R HA 0.585 4.925 4.340 -0.000 0.000 0.301 128 R C -1.266 175.048 176.300 0.023 0.000 0.968 128 R CA -0.481 55.620 56.100 0.001 0.000 0.872 128 R CB 2.195 32.492 30.300 -0.005 0.000 1.177 128 R HN 0.438 nan 8.270 nan 0.000 0.444 129 S N 2.218 117.929 115.700 0.019 0.000 2.513 129 S HA 0.467 4.937 4.470 -0.000 0.000 0.299 129 S C -0.182 174.432 174.600 0.024 0.000 1.087 129 S CA -0.947 57.275 58.200 0.036 0.000 1.012 129 S CB 2.037 65.273 63.200 0.060 0.000 1.044 129 S HN 0.373 nan 8.310 nan 0.000 0.485 130 R N 0.805 121.322 120.500 0.028 0.000 2.641 130 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 130 R C 1.192 177.508 176.300 0.026 0.000 1.074 130 R CA -0.076 56.037 56.100 0.021 0.000 1.133 130 R CB 0.278 30.591 30.300 0.022 0.000 1.029 130 R HN 0.768 nan 8.270 nan 0.000 0.488 131 A N 2.181 125.007 122.820 0.010 0.000 1.874 131 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 131 A C 0.649 178.237 177.584 0.006 0.000 1.189 131 A CA 0.920 52.964 52.037 0.011 0.000 0.615 131 A CB 0.216 19.196 19.000 -0.033 0.000 0.830 131 A HN 0.534 nan 8.150 nan 0.000 0.443 132 Q N 1.196 120.969 119.800 -0.045 0.000 2.901 132 Q HA 0.356 4.696 4.340 -0.000 0.000 0.265 132 Q C -0.579 175.426 176.000 0.009 0.000 1.263 132 Q CA -0.188 55.579 55.803 -0.061 0.000 1.088 132 Q CB 0.260 28.925 28.738 -0.123 0.000 1.339 132 Q HN 0.335 nan 8.270 nan 0.000 0.546 133 V N 0.457 120.397 119.914 0.043 0.000 3.051 133 V HA 0.186 4.306 4.120 -0.000 0.000 0.306 133 V C 0.682 176.809 176.094 0.056 0.000 1.083 133 V CA -0.467 61.863 62.300 0.050 0.000 1.104 133 V CB 0.865 32.724 31.823 0.059 0.000 1.027 133 V HN 0.372 nan 8.190 nan 0.000 0.483 134 K N 1.529 121.961 120.400 0.054 0.000 2.156 134 K HA 0.628 4.948 4.320 -0.000 0.000 0.271 134 K C -0.054 176.581 176.600 0.059 0.000 0.995 134 K CA -0.496 55.827 56.287 0.061 0.000 0.890 134 K CB 1.291 33.826 32.500 0.058 0.000 1.073 134 K HN 0.926 nan 8.250 nan 0.000 0.454 135 A N 5.268 128.127 122.820 0.064 0.000 2.488 135 A HA 0.228 4.548 4.320 -0.000 0.000 0.249 135 A C -2.062 175.552 177.584 0.051 0.000 1.083 135 A CA -1.144 50.928 52.037 0.058 0.000 0.768 135 A CB -0.385 18.651 19.000 0.060 0.000 1.017 135 A HN 0.561 nan 8.150 nan 0.000 0.496 136 P HA 0.090 nan 4.420 nan 0.000 0.261 136 P C 0.721 178.043 177.300 0.037 0.000 1.203 136 P CA 0.574 63.695 63.100 0.036 0.000 0.767 136 P CB 0.179 31.899 31.700 0.032 0.000 0.785 137 G N 3.051 111.871 108.800 0.034 0.000 2.590 137 G HA2 0.073 4.033 3.960 -0.000 0.000 0.276 137 G HA3 0.073 4.033 3.960 -0.000 0.000 0.276 137 G C 1.276 176.194 174.900 0.030 0.000 1.337 137 G CA -0.311 44.809 45.100 0.034 0.000 1.030 137 G HN 0.570 nan 8.290 nan 0.000 0.534 138 I N -2.351 118.236 120.570 0.029 0.000 2.248 138 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 138 I C 2.261 178.391 176.117 0.023 0.000 1.107 138 I CA 1.390 62.706 61.300 0.026 0.000 1.373 138 I CB -0.314 37.700 38.000 0.024 0.000 1.055 138 I HN 0.306 nan 8.210 nan 0.000 0.418 139 L N 1.358 122.593 121.223 0.020 0.000 2.084 139 L HA 0.164 4.504 4.340 -0.000 0.000 0.202 139 L C -0.344 176.536 176.870 0.017 0.000 1.074 139 L CA 1.615 56.465 54.840 0.017 0.000 0.757 139 L CB -1.611 40.456 42.059 0.014 0.000 0.918 139 L HN 0.101 nan 8.230 nan 0.000 0.444 140 P HA -0.133 nan 4.420 nan 0.000 0.224 140 P C 0.146 177.459 177.300 0.021 0.000 1.142 140 P CA 1.057 64.167 63.100 0.016 0.000 0.778 140 P CB -0.051 31.658 31.700 0.015 0.000 0.764 141 R N -0.294 120.221 120.500 0.025 0.000 2.652 141 R HA 0.538 4.878 4.340 -0.000 0.000 0.272 141 R C 0.542 176.861 176.300 0.032 0.000 1.162 141 R CA -0.332 55.786 56.100 0.030 0.000 1.199 141 R CB 0.560 30.879 30.300 0.031 0.000 1.166 141 R HN -0.074 nan 8.270 nan 0.000 0.597 142 R N 0.077 120.601 120.500 0.039 0.000 2.736 142 R HA 0.067 4.407 4.340 -0.000 0.000 0.250 142 R C -1.301 175.031 176.300 0.054 0.000 1.098 142 R CA -0.275 55.852 56.100 0.044 0.000 0.978 142 R CB 1.474 31.808 30.300 0.057 0.000 1.263 142 R HN 0.901 nan 8.270 nan 0.000 0.460 143 S N 2.024 117.753 115.700 0.048 0.000 2.576 143 S HA 0.278 4.748 4.470 -0.000 0.000 0.276 143 S C 0.754 175.402 174.600 0.080 0.000 1.339 143 S CA -0.615 57.613 58.200 0.048 0.000 1.039 143 S CB 1.161 64.381 63.200 0.033 0.000 0.902 143 S HN 0.508 nan 8.310 nan 0.000 0.516 144 V N 1.258 121.206 119.914 0.057 0.000 2.811 144 V HA 0.398 4.518 4.120 -0.000 0.000 0.302 144 V C 0.882 177.037 176.094 0.101 0.000 1.063 144 V CA 0.060 62.386 62.300 0.044 0.000 1.088 144 V CB 0.263 32.072 31.823 -0.022 0.000 0.982 144 V HN 1.217 nan 8.190 nan 0.000 0.485 145 H N 0.524 119.561 119.070 -0.054 0.000 3.233 145 H HA 0.482 5.038 4.556 -0.000 0.000 0.252 145 H C -0.342 174.934 175.328 -0.087 0.000 1.175 145 H CA -0.389 55.625 56.048 -0.057 0.000 1.018 145 H CB 0.196 29.933 29.762 -0.041 0.000 2.006 145 H HN 0.771 nan 8.280 nan 0.000 0.714 146 E N 2.785 122.757 120.200 -0.381 0.000 2.222 146 E HA 0.338 4.688 4.350 -0.000 0.000 0.267 146 E C -2.973 173.448 176.600 -0.297 0.000 0.884 146 E CA -2.091 54.068 56.400 -0.403 0.000 0.764 146 E CB 2.944 32.310 29.700 -0.556 0.000 1.169 146 E HN 0.150 nan 8.360 nan 0.000 0.413 147 P HA 0.112 nan 4.420 nan 0.000 0.291 147 P C -0.223 176.909 177.300 -0.279 0.000 1.378 147 P CA -0.498 62.467 63.100 -0.226 0.000 0.853 147 P CB 0.685 32.278 31.700 -0.179 0.000 1.002 148 V N 4.760 124.540 119.914 -0.224 0.000 2.356 148 V HA -0.034 4.086 4.120 -0.000 0.000 0.244 148 V C 1.128 177.138 176.094 -0.139 0.000 1.120 148 V CA 0.437 62.617 62.300 -0.201 0.000 1.181 148 V CB -1.424 30.315 31.823 -0.139 0.000 1.244 148 V HN 0.514 nan 8.190 nan 0.000 0.487 149 Q N 2.268 121.965 119.800 -0.171 0.000 2.286 149 Q HA 0.091 4.431 4.340 -0.000 0.000 0.267 149 Q C 1.517 177.540 176.000 0.038 0.000 1.028 149 Q CA 0.459 56.237 55.803 -0.041 0.000 0.901 149 Q CB 1.039 29.791 28.738 0.024 0.000 1.183 149 Q HN 0.912 nan 8.270 nan 0.000 0.392 150 T N -0.856 113.724 114.554 0.044 0.000 3.009 150 T HA 0.151 4.501 4.350 -0.000 0.000 0.258 150 T C 1.335 176.084 174.700 0.081 0.000 1.063 150 T CA 0.502 62.636 62.100 0.056 0.000 1.139 150 T CB 0.108 68.998 68.868 0.037 0.000 0.890 150 T HN 0.857 nan 8.240 nan 0.000 0.471 151 G N 1.270 110.122 108.800 0.087 0.000 2.159 151 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.256 151 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.256 151 G C -0.103 174.836 174.900 0.065 0.000 0.977 151 G CA 0.210 45.360 45.100 0.084 0.000 0.652 151 G HN 0.644 nan 8.290 nan 0.000 0.531 152 L N 0.325 121.582 121.223 0.057 0.000 2.265 152 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 152 L C 1.669 178.570 176.870 0.051 0.000 1.033 152 L CA -0.873 53.997 54.840 0.050 0.000 0.814 152 L CB 1.300 43.385 42.059 0.043 0.000 1.203 152 L HN 0.051 nan 8.230 nan 0.000 0.423 153 K N 2.206 122.638 120.400 0.054 0.000 2.113 153 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 153 K C 1.923 178.557 176.600 0.056 0.000 1.047 153 K CA 1.773 58.094 56.287 0.058 0.000 0.928 153 K CB -0.100 32.438 32.500 0.063 0.000 0.716 153 K HN 0.801 nan 8.250 nan 0.000 0.446 154 A N 0.896 123.749 122.820 0.055 0.000 1.872 154 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 154 A C 2.412 180.027 177.584 0.052 0.000 1.187 154 A CA 1.233 53.304 52.037 0.057 0.000 0.614 154 A CB -0.605 18.430 19.000 0.059 0.000 0.826 154 A HN 0.055 nan 8.150 nan 0.000 0.442 155 V N 0.903 120.844 119.914 0.046 0.000 2.223 155 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 155 V C 2.081 178.196 176.094 0.035 0.000 1.045 155 V CA 2.337 64.661 62.300 0.040 0.000 1.000 155 V CB -0.842 31.001 31.823 0.033 0.000 0.635 155 V HN 0.507 nan 8.190 nan 0.000 0.445 156 D N -0.078 120.343 120.400 0.035 0.000 2.309 156 D HA -0.078 4.562 4.640 -0.000 0.000 0.212 156 D C 1.967 178.287 176.300 0.033 0.000 0.968 156 D CA 1.422 55.439 54.000 0.030 0.000 0.882 156 D CB -0.012 40.809 40.800 0.034 0.000 0.918 156 D HN 0.487 nan 8.370 nan 0.000 0.503 157 A N 0.051 122.896 122.820 0.042 0.000 1.871 157 A HA 0.060 4.380 4.320 -0.000 0.000 0.211 157 A C 2.237 179.848 177.584 0.045 0.000 1.207 157 A CA 0.470 52.535 52.037 0.046 0.000 0.620 157 A CB -0.325 18.708 19.000 0.054 0.000 0.860 157 A HN 0.150 nan 8.150 nan 0.000 0.450 158 L N -0.412 120.840 121.223 0.048 0.000 2.269 158 L HA 0.119 4.459 4.340 -0.000 0.000 0.200 158 L C 0.397 177.293 176.870 0.042 0.000 1.069 158 L CA 0.451 55.321 54.840 0.050 0.000 0.804 158 L CB -0.128 41.966 42.059 0.059 0.000 0.987 158 L HN 0.209 nan 8.230 nan 0.000 0.468 159 V N -1.487 118.451 119.914 0.039 0.000 2.204 159 V HA 0.416 4.536 4.120 -0.000 0.000 0.264 159 V C -2.724 173.383 176.094 0.022 0.000 1.106 159 V CA -2.033 60.286 62.300 0.032 0.000 0.947 159 V CB -0.337 31.508 31.823 0.037 0.000 1.164 159 V HN -0.047 nan 8.190 nan 0.000 0.461 160 P HA 0.490 nan 4.420 nan 0.000 0.281 160 P C -0.327 176.968 177.300 -0.008 0.000 1.252 160 P CA -0.041 63.062 63.100 0.004 0.000 0.778 160 P CB 1.123 32.826 31.700 0.004 0.000 0.895 161 I N 2.126 122.683 120.570 -0.022 0.000 2.353 161 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 161 I C 1.159 177.237 176.117 -0.065 0.000 0.992 161 I CA -0.398 60.881 61.300 -0.035 0.000 1.268 161 I CB 1.501 39.481 38.000 -0.034 0.000 1.387 161 I HN 0.312 nan 8.210 nan 0.000 0.478 162 G N 4.686 113.447 108.800 -0.066 0.000 2.434 162 G HA2 0.491 4.451 3.960 -0.000 0.000 0.330 162 G HA3 0.491 4.451 3.960 -0.000 0.000 0.330 162 G C -0.412 174.415 174.900 -0.122 0.000 1.155 162 G CA -0.861 44.181 45.100 -0.098 0.000 0.917 162 G HN 0.543 nan 8.290 nan 0.000 0.493 163 R N 0.374 120.762 120.500 -0.187 0.000 2.296 163 R HA 0.398 4.738 4.340 -0.000 0.000 0.323 163 R C 1.118 177.344 176.300 -0.122 0.000 1.067 163 R CA 0.909 56.883 56.100 -0.211 0.000 0.946 163 R CB 0.716 30.771 30.300 -0.409 0.000 0.991 163 R HN 1.051 nan 8.270 nan 0.000 0.448 164 G N 1.854 110.617 108.800 -0.061 0.000 2.238 164 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 164 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 164 G C 0.303 175.199 174.900 -0.007 0.000 0.996 164 G CA -0.284 44.809 45.100 -0.012 0.000 0.632 164 G HN 0.572 nan 8.290 nan 0.000 0.503 165 Q N 0.544 120.330 119.800 -0.023 0.000 2.474 165 Q HA 0.456 4.796 4.340 -0.000 0.000 0.256 165 Q C 0.063 176.060 176.000 -0.005 0.000 1.048 165 Q CA 0.153 55.949 55.803 -0.012 0.000 0.922 165 Q CB 0.243 28.968 28.738 -0.021 0.000 1.288 165 Q HN 0.496 nan 8.270 nan 0.000 0.484 166 R N 2.472 122.974 120.500 0.004 0.000 2.358 166 R HA 0.240 4.580 4.340 -0.000 0.000 0.309 166 R C -1.344 174.960 176.300 0.007 0.000 1.026 166 R CA -0.501 55.605 56.100 0.010 0.000 0.909 166 R CB 1.288 31.600 30.300 0.019 0.000 1.153 166 R HN 0.428 nan 8.270 nan 0.000 0.515 167 E N 3.014 123.215 120.200 0.002 0.000 2.165 167 E HA 0.226 4.576 4.350 -0.000 0.000 0.266 167 E C -1.343 175.259 176.600 0.003 0.000 0.889 167 E CA -0.947 55.456 56.400 0.004 0.000 0.756 167 E CB 1.157 30.858 29.700 0.001 0.000 1.131 167 E HN 0.354 nan 8.360 nan 0.000 0.411 168 L N 5.467 126.694 121.223 0.006 0.000 2.349 168 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 168 L C -0.961 175.914 176.870 0.008 0.000 1.115 168 L CA 0.032 54.872 54.840 0.000 0.000 0.820 168 L CB 0.582 42.639 42.059 -0.003 0.000 1.135 168 L HN 0.643 nan 8.230 nan 0.000 0.445 169 I N 6.659 127.226 120.570 -0.005 0.000 2.321 169 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 169 I C -0.298 175.804 176.117 -0.026 0.000 0.998 169 I CA -0.232 61.062 61.300 -0.010 0.000 1.227 169 I CB 1.321 39.310 38.000 -0.018 0.000 1.368 169 I HN 0.590 nan 8.210 nan 0.000 0.466 170 I N 4.992 125.547 120.570 -0.026 0.000 2.647 170 I HA 0.887 5.057 4.170 -0.000 0.000 0.295 170 I C -0.167 175.821 176.117 -0.216 0.000 1.078 170 I CA 0.015 61.293 61.300 -0.037 0.000 1.048 170 I CB 2.079 40.132 38.000 0.089 0.000 1.239 170 I HN 0.747 nan 8.210 nan 0.000 0.421 171 G N 4.657 113.316 108.800 -0.235 0.000 2.341 171 G HA2 0.110 4.070 3.960 -0.000 0.000 0.293 171 G HA3 0.110 4.070 3.960 -0.000 0.000 0.293 171 G C -1.980 172.787 174.900 -0.221 0.000 1.298 171 G CA -0.843 44.010 45.100 -0.411 0.000 0.868 171 G HN 0.511 nan 8.290 nan 0.000 0.540 172 D N 0.217 120.485 120.400 -0.222 0.000 2.371 172 D HA 0.458 5.098 4.640 -0.000 0.000 0.242 172 D C 1.282 177.495 176.300 -0.145 0.000 1.218 172 D CA -0.107 53.813 54.000 -0.132 0.000 0.945 172 D CB 0.475 41.212 40.800 -0.105 0.000 1.137 172 D HN 0.680 nan 8.370 nan 0.000 0.464 173 R N 0.931 121.371 120.500 -0.099 0.000 2.623 173 R HA 0.060 4.400 4.340 -0.000 0.000 0.271 173 R C -0.392 175.816 176.300 -0.154 0.000 1.043 173 R CA -0.214 55.826 56.100 -0.099 0.000 1.083 173 R CB 0.210 30.480 30.300 -0.051 0.000 0.974 173 R HN 0.187 nan 8.270 nan 0.000 0.436 174 Q N 0.888 120.576 119.800 -0.187 0.000 2.459 174 Q HA -0.144 4.196 4.340 -0.000 0.000 0.314 174 Q C -0.086 175.513 176.000 -0.669 0.000 1.432 174 Q CA 1.530 57.162 55.803 -0.286 0.000 0.823 174 Q CB -1.780 26.878 28.738 -0.134 0.000 1.124 174 Q HN 1.059 nan 8.270 nan 0.000 0.392 175 T N -5.453 108.691 114.554 -0.684 0.000 2.954 175 T HA 0.452 4.802 4.350 -0.000 0.000 0.252 175 T C 1.120 175.382 174.700 -0.730 0.000 0.983 175 T CA 0.823 62.377 62.100 -0.911 0.000 0.941 175 T CB 1.200 69.793 68.868 -0.459 0.000 1.141 175 T HN 0.934 nan 8.240 nan 0.000 0.500 176 G N 1.659 110.213 108.800 -0.411 0.000 2.147 176 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.128 176 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.128 176 G C 0.622 175.467 174.900 -0.092 0.000 1.026 176 G CA 0.101 45.110 45.100 -0.152 0.000 0.693 176 G HN 0.448 nan 8.290 nan 0.000 0.499 177 K N -0.186 120.146 120.400 -0.113 0.000 2.097 177 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 177 K C 2.432 179.024 176.600 -0.015 0.000 1.049 177 K CA 1.797 58.044 56.287 -0.066 0.000 0.933 177 K CB -0.153 32.301 32.500 -0.076 0.000 0.717 177 K HN 0.313 nan 8.250 nan 0.000 0.442 178 T N 0.967 115.520 114.554 -0.001 0.000 2.809 178 T HA -0.012 4.338 4.350 -0.000 0.000 0.260 178 T C 2.071 176.780 174.700 0.016 0.000 1.039 178 T CA 0.980 63.110 62.100 0.050 0.000 1.141 178 T CB -0.239 68.673 68.868 0.074 0.000 0.869 178 T HN 0.284 nan 8.240 nan 0.000 0.437 179 A N 1.374 124.183 122.820 -0.018 0.000 1.940 179 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 179 A C 2.547 180.114 177.584 -0.028 0.000 1.190 179 A CA 1.870 53.876 52.037 -0.052 0.000 0.647 179 A CB -1.317 17.640 19.000 -0.072 0.000 0.821 179 A HN 0.350 nan 8.150 nan 0.000 0.457 180 V N -0.459 119.450 119.914 -0.008 0.000 2.261 180 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 180 V C 3.070 179.178 176.094 0.023 0.000 1.047 180 V CA 2.162 64.466 62.300 0.008 0.000 1.015 180 V CB -1.278 30.549 31.823 0.007 0.000 0.642 180 V HN 0.663 nan 8.190 nan 0.000 0.446 181 A N -0.523 122.318 122.820 0.035 0.000 1.933 181 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 181 A C 2.139 179.754 177.584 0.053 0.000 1.175 181 A CA 2.000 54.073 52.037 0.060 0.000 0.628 181 A CB -0.540 18.528 19.000 0.113 0.000 0.814 181 A HN 0.448 nan 8.150 nan 0.000 0.444 182 L N -0.026 121.210 121.223 0.022 0.000 2.093 182 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 182 L C 1.669 178.570 176.870 0.051 0.000 1.085 182 L CA 2.184 57.025 54.840 0.003 0.000 0.755 182 L CB -0.587 41.466 42.059 -0.010 0.000 0.904 182 L HN 0.373 nan 8.230 nan 0.000 0.435 183 D N -1.442 118.988 120.400 0.050 0.000 2.183 183 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 183 D C 1.769 178.124 176.300 0.090 0.000 0.969 183 D CA 1.575 55.621 54.000 0.077 0.000 0.842 183 D CB 0.330 41.158 40.800 0.047 0.000 0.957 183 D HN 0.395 nan 8.370 nan 0.000 0.484 184 T N 1.148 115.746 114.554 0.074 0.000 2.788 184 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 184 T C 2.191 176.953 174.700 0.104 0.000 1.044 184 T CA 0.588 62.734 62.100 0.076 0.000 1.139 184 T CB 0.078 68.975 68.868 0.049 0.000 0.867 184 T HN 0.181 nan 8.240 nan 0.000 0.454 185 I N 0.542 121.183 120.570 0.117 0.000 2.277 185 I HA -0.012 4.158 4.170 -0.000 0.000 0.243 185 I C 1.997 178.270 176.117 0.259 0.000 1.094 185 I CA 0.976 62.383 61.300 0.177 0.000 1.393 185 I CB -0.331 37.750 38.000 0.136 0.000 1.078 185 I HN 0.156 nan 8.210 nan 0.000 0.417 186 L N 0.796 122.141 121.223 0.203 0.000 2.362 186 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 186 L C 2.067 179.068 176.870 0.218 0.000 1.134 186 L CA 0.883 55.871 54.840 0.246 0.000 0.807 186 L CB -0.777 41.422 42.059 0.234 0.000 0.927 186 L HN 0.332 nan 8.230 nan 0.000 0.447 187 N N -0.219 118.585 118.700 0.173 0.000 2.250 187 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 187 N C 1.776 177.368 175.510 0.137 0.000 1.017 187 N CA 0.721 53.854 53.050 0.139 0.000 0.866 187 N CB 0.132 38.711 38.487 0.153 0.000 0.985 187 N HN 0.153 nan 8.380 nan 0.000 0.429 188 Q N 0.444 120.333 119.800 0.149 0.000 2.561 188 Q HA -0.080 4.260 4.340 -0.000 0.000 0.217 188 Q C 1.043 176.948 176.000 -0.159 0.000 0.980 188 Q CA 0.458 56.331 55.803 0.116 0.000 0.927 188 Q CB -0.229 28.482 28.738 -0.045 0.000 0.980 188 Q HN 0.469 nan 8.270 nan 0.000 0.525 189 K N 0.929 121.247 120.400 -0.138 0.000 2.574 189 K HA -0.069 4.251 4.320 -0.000 0.000 0.193 189 K C 1.333 177.812 176.600 -0.201 0.000 1.035 189 K CA 0.297 56.508 56.287 -0.128 0.000 0.982 189 K CB 0.204 32.768 32.500 0.106 0.000 0.795 189 K HN 0.083 nan 8.250 nan 0.000 0.491 190 R N -1.190 119.092 120.500 -0.362 0.000 2.128 190 R HA 0.027 4.367 4.340 -0.000 0.000 0.211 190 R C 1.337 177.224 176.300 -0.688 0.000 1.067 190 R CA 0.883 56.569 56.100 -0.690 0.000 1.010 190 R CB 0.234 29.756 30.300 -1.298 0.000 0.922 190 R HN 0.284 nan 8.270 nan 0.000 0.457 191 W N -0.376 120.831 121.300 -0.155 0.000 3.103 191 W HA 0.256 4.915 4.660 -0.000 0.000 0.325 191 W C 0.379 176.783 176.519 -0.191 0.000 1.170 191 W CA -0.369 56.883 57.345 -0.155 0.000 1.712 191 W CB 0.170 29.534 29.460 -0.161 0.000 1.068 191 W HN 0.051 nan 8.180 nan 0.000 0.592 192 N N 0.952 119.605 118.700 -0.079 0.000 2.336 192 N HA -0.047 4.692 4.740 -0.000 0.000 0.189 192 N C 0.895 176.394 175.510 -0.019 0.000 1.113 192 N CA 0.539 53.504 53.050 -0.141 0.000 0.858 192 N CB -0.113 38.082 38.487 -0.488 0.000 0.970 192 N HN 0.128 nan 8.380 nan 0.000 0.471 193 N N -0.222 118.461 118.700 -0.029 0.000 2.499 193 N HA 0.066 4.806 4.740 -0.000 0.000 0.182 193 N C 1.159 176.674 175.510 0.008 0.000 1.034 193 N CA 0.353 53.405 53.050 0.003 0.000 0.882 193 N CB -0.464 38.007 38.487 -0.027 0.000 1.125 193 N HN 0.063 nan 8.380 nan 0.000 0.436 194 G N -0.024 108.770 108.800 -0.009 0.000 2.634 194 G HA2 0.269 4.229 3.960 -0.000 0.000 0.255 194 G HA3 0.269 4.229 3.960 -0.000 0.000 0.255 194 G C 0.754 175.679 174.900 0.042 0.000 1.205 194 G CA -0.266 44.841 45.100 0.011 0.000 0.884 194 G HN 0.081 nan 8.290 nan 0.000 0.549 195 S N -0.302 115.424 115.700 0.042 0.000 2.343 195 S HA -0.087 4.383 4.470 -0.000 0.000 0.212 195 S C 1.038 175.669 174.600 0.052 0.000 1.033 195 S CA 0.849 59.078 58.200 0.048 0.000 1.004 195 S CB -0.399 62.824 63.200 0.038 0.000 0.977 195 S HN 0.751 nan 8.310 nan 0.000 0.427 196 D N 1.777 122.207 120.400 0.050 0.000 3.264 196 D HA -0.091 4.549 4.640 -0.000 0.000 0.213 196 D C 0.190 176.506 176.300 0.027 0.000 1.112 196 D CA 0.439 54.463 54.000 0.040 0.000 0.777 196 D CB 0.185 41.011 40.800 0.043 0.000 1.156 196 D HN 0.272 nan 8.370 nan 0.000 0.556 197 E N 0.796 121.011 120.200 0.024 0.000 2.476 197 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 197 E C 1.429 178.024 176.600 -0.008 0.000 1.064 197 E CA 0.179 56.588 56.400 0.016 0.000 0.866 197 E CB 0.292 30.018 29.700 0.044 0.000 0.952 197 E HN 0.443 nan 8.360 nan 0.000 0.492 198 S N -0.500 115.203 115.700 0.005 0.000 2.506 198 S HA 0.119 4.589 4.470 -0.000 0.000 0.219 198 S C 1.515 176.145 174.600 0.049 0.000 1.031 198 S CA -0.266 57.961 58.200 0.045 0.000 0.911 198 S CB 0.291 63.518 63.200 0.044 0.000 0.812 198 S HN -0.054 nan 8.310 nan 0.000 0.497 199 K N 1.358 121.729 120.400 -0.048 0.000 2.374 199 K HA 0.324 4.644 4.320 -0.000 0.000 0.196 199 K C 0.066 176.528 176.600 -0.230 0.000 1.023 199 K CA 0.086 56.260 56.287 -0.188 0.000 1.103 199 K CB 0.260 32.663 32.500 -0.162 0.000 0.848 199 K HN 0.410 nan 8.250 nan 0.000 0.528 200 K N 1.015 121.327 120.400 -0.146 0.000 2.154 200 K HA 0.293 4.613 4.320 -0.000 0.000 0.264 200 K C -0.598 175.805 176.600 -0.329 0.000 1.008 200 K CA -0.603 55.523 56.287 -0.268 0.000 0.937 200 K CB 0.815 33.084 32.500 -0.385 0.000 1.002 200 K HN -0.157 nan 8.250 nan 0.000 0.469 201 L N 3.078 124.031 121.223 -0.450 0.000 2.555 201 L HA 0.280 4.620 4.340 -0.000 0.000 0.264 201 L C -1.824 174.830 176.870 -0.361 0.000 0.972 201 L CA -0.262 54.371 54.840 -0.346 0.000 0.876 201 L CB 0.791 42.711 42.059 -0.232 0.000 1.216 201 L HN 0.502 nan 8.230 nan 0.000 0.415 202 Y N 3.318 123.493 120.300 -0.209 0.000 2.313 202 Y HA 0.497 5.047 4.550 -0.000 0.000 0.332 202 Y C 0.641 176.444 175.900 -0.161 0.000 1.071 202 Y CA -0.496 57.471 58.100 -0.221 0.000 1.169 202 Y CB 1.060 39.195 38.460 -0.543 0.000 1.192 202 Y HN 0.500 nan 8.280 nan 0.000 0.487 203 C N 2.594 121.991 119.300 0.163 0.000 2.351 203 C HA 0.718 5.178 4.460 -0.000 0.000 0.359 203 C C -0.120 174.930 174.990 0.100 0.000 1.193 203 C CA -0.888 58.198 59.018 0.113 0.000 2.270 203 C CB 0.929 28.763 27.740 0.157 0.000 2.369 203 C HN 0.593 nan 8.230 nan 0.000 0.553 204 V N 1.983 121.940 119.914 0.072 0.000 2.498 204 V HA 0.197 4.317 4.120 -0.000 0.000 0.283 204 V C -1.089 175.031 176.094 0.044 0.000 1.015 204 V CA -0.465 61.874 62.300 0.064 0.000 0.867 204 V CB 0.477 32.327 31.823 0.046 0.000 1.025 204 V HN 0.796 nan 8.190 nan 0.000 0.441 205 Y N 5.044 125.324 120.300 -0.033 0.000 2.383 205 Y HA 0.613 5.163 4.550 -0.000 0.000 0.344 205 Y C -0.110 175.772 175.900 -0.031 0.000 0.986 205 Y CA -0.451 57.623 58.100 -0.043 0.000 1.175 205 Y CB 1.384 39.829 38.460 -0.025 0.000 1.152 205 Y HN 0.443 nan 8.280 nan 0.000 0.511 206 V N 6.363 125.987 119.914 -0.484 0.000 2.350 206 V HA 0.584 4.704 4.120 -0.000 0.000 0.276 206 V C 0.047 175.815 176.094 -0.544 0.000 1.028 206 V CA -0.730 61.362 62.300 -0.345 0.000 0.860 206 V CB 0.798 32.535 31.823 -0.143 0.000 0.990 206 V HN 0.925 nan 8.190 nan 0.000 0.453 207 A N 5.209 127.844 122.820 -0.308 0.000 2.444 207 A HA 0.672 4.992 4.320 -0.000 0.000 0.332 207 A C -0.379 177.171 177.584 -0.057 0.000 1.430 207 A CA -0.356 51.577 52.037 -0.173 0.000 0.975 207 A CB 0.367 19.409 19.000 0.069 0.000 1.147 207 A HN 0.668 nan 8.150 nan 0.000 0.524 208 V N 2.667 122.546 119.914 -0.058 0.000 2.294 208 V HA 0.596 4.716 4.120 -0.000 0.000 0.272 208 V C 1.178 177.289 176.094 0.029 0.000 1.027 208 V CA 0.757 63.058 62.300 0.002 0.000 0.823 208 V CB 0.377 32.203 31.823 0.005 0.000 1.030 208 V HN 1.601 nan 8.190 nan 0.000 0.457 209 G N 4.043 112.871 108.800 0.046 0.000 2.176 209 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.232 209 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.232 209 G C 0.179 175.108 174.900 0.050 0.000 0.986 209 G CA 0.026 45.158 45.100 0.055 0.000 0.643 209 G HN 0.570 nan 8.290 nan 0.000 0.522 210 Q N 0.258 120.088 119.800 0.050 0.000 2.318 210 Q HA 0.537 4.877 4.340 -0.000 0.000 0.222 210 Q C 0.462 176.494 176.000 0.053 0.000 1.003 210 Q CA -0.289 55.548 55.803 0.057 0.000 0.936 210 Q CB 0.601 29.387 28.738 0.079 0.000 1.204 210 Q HN 0.386 nan 8.270 nan 0.000 0.524 211 K N 0.786 121.216 120.400 0.050 0.000 2.326 211 K HA 0.046 4.366 4.320 -0.000 0.000 0.275 211 K C 0.764 177.391 176.600 0.045 0.000 1.018 211 K CA -0.059 56.254 56.287 0.043 0.000 0.962 211 K CB 0.614 33.136 32.500 0.037 0.000 0.953 211 K HN 0.444 nan 8.250 nan 0.000 0.475 212 R N 1.290 121.813 120.500 0.038 0.000 2.152 212 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 212 R C 1.838 178.157 176.300 0.031 0.000 1.117 212 R CA 1.949 58.070 56.100 0.036 0.000 0.981 212 R CB 0.014 30.332 30.300 0.030 0.000 0.870 212 R HN 0.804 nan 8.270 nan 0.000 0.451 213 S N -1.392 114.324 115.700 0.027 0.000 2.414 213 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 213 S C 1.750 176.363 174.600 0.021 0.000 1.022 213 S CA 1.196 59.408 58.200 0.021 0.000 0.958 213 S CB -0.059 63.153 63.200 0.019 0.000 0.797 213 S HN 0.232 nan 8.310 nan 0.000 0.493 214 T N 2.857 117.430 114.554 0.032 0.000 2.674 214 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 214 T C 1.896 176.616 174.700 0.033 0.000 1.039 214 T CA 1.611 63.733 62.100 0.036 0.000 1.150 214 T CB -0.675 68.225 68.868 0.055 0.000 0.864 214 T HN 0.327 nan 8.240 nan 0.000 0.427 215 V N 1.636 121.584 119.914 0.056 0.000 2.759 215 V HA -0.024 4.096 4.120 -0.000 0.000 0.256 215 V C 2.745 178.851 176.094 0.021 0.000 1.080 215 V CA 1.290 63.629 62.300 0.066 0.000 1.101 215 V CB -1.234 30.652 31.823 0.104 0.000 0.698 215 V HN 0.524 nan 8.190 nan 0.000 0.477 216 A N -0.854 121.973 122.820 0.012 0.000 2.072 216 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 216 A C 2.150 179.721 177.584 -0.022 0.000 1.156 216 A CA 0.935 52.970 52.037 -0.004 0.000 0.701 216 A CB -0.182 18.820 19.000 0.002 0.000 0.816 216 A HN 0.559 nan 8.150 nan 0.000 0.458 217 Q N -1.312 118.474 119.800 -0.023 0.000 2.396 217 Q HA 0.255 4.595 4.340 -0.000 0.000 0.209 217 Q C 1.780 177.738 176.000 -0.069 0.000 0.906 217 Q CA 0.291 56.071 55.803 -0.038 0.000 0.927 217 Q CB 0.145 28.872 28.738 -0.020 0.000 1.069 217 Q HN 0.648 nan 8.270 nan 0.000 0.523 218 L N -0.420 120.756 121.223 -0.079 0.000 2.341 218 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 218 L C 1.681 178.453 176.870 -0.162 0.000 1.115 218 L CA 0.509 55.264 54.840 -0.141 0.000 0.820 218 L CB 0.285 42.223 42.059 -0.202 0.000 0.944 218 L HN -0.010 nan 8.230 nan 0.000 0.452 219 V N -0.555 119.291 119.914 -0.113 0.000 2.488 219 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 219 V C 2.383 178.415 176.094 -0.103 0.000 1.046 219 V CA 1.426 63.665 62.300 -0.101 0.000 1.053 219 V CB -0.212 31.575 31.823 -0.060 0.000 0.679 219 V HN 0.464 nan 8.190 nan 0.000 0.458 220 Q N 0.624 120.369 119.800 -0.092 0.000 2.170 220 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 220 Q C 2.077 178.004 176.000 -0.121 0.000 0.976 220 Q CA 2.390 58.140 55.803 -0.087 0.000 0.858 220 Q CB -0.559 28.137 28.738 -0.069 0.000 0.907 220 Q HN 0.682 nan 8.270 nan 0.000 0.433 221 T N 0.078 114.525 114.554 -0.178 0.000 2.896 221 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 221 T C 1.757 176.274 174.700 -0.304 0.000 1.050 221 T CA 0.887 62.810 62.100 -0.295 0.000 1.140 221 T CB -0.161 68.461 68.868 -0.410 0.000 0.877 221 T HN 0.181 nan 8.240 nan 0.000 0.457 222 L N 0.944 122.031 121.223 -0.226 0.000 2.017 222 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 222 L C 2.800 179.596 176.870 -0.124 0.000 1.073 222 L CA 1.530 56.261 54.840 -0.182 0.000 0.745 222 L CB -0.618 41.334 42.059 -0.178 0.000 0.894 222 L HN 0.291 nan 8.230 nan 0.000 0.432 223 E N -0.429 119.707 120.200 -0.106 0.000 2.097 223 E HA -0.306 4.044 4.350 -0.000 0.000 0.196 223 E C 2.217 178.801 176.600 -0.028 0.000 1.000 223 E CA 1.245 57.603 56.400 -0.070 0.000 0.804 223 E CB -0.120 29.544 29.700 -0.061 0.000 0.740 223 E HN 0.488 nan 8.360 nan 0.000 0.454 224 Q N -0.338 119.455 119.800 -0.013 0.000 2.297 224 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 224 Q C 0.875 176.982 176.000 0.179 0.000 0.962 224 Q CA 0.812 56.648 55.803 0.055 0.000 0.879 224 Q CB 0.234 28.994 28.738 0.037 0.000 0.947 224 Q HN 0.348 nan 8.270 nan 0.000 0.462 225 H N -0.668 118.358 119.070 -0.073 0.000 2.517 225 H HA 0.082 4.638 4.556 -0.000 0.000 0.282 225 H C -0.254 175.065 175.328 -0.016 0.000 1.023 225 H CA 0.278 56.302 56.048 -0.039 0.000 1.169 225 H CB 0.406 30.152 29.762 -0.027 0.000 1.454 225 H HN 0.206 nan 8.280 nan 0.000 0.556 226 D N -1.046 119.394 120.400 0.066 0.000 3.059 226 D HA -0.228 4.412 4.640 -0.000 0.000 0.220 226 D C 1.404 177.677 176.300 -0.044 0.000 1.169 226 D CA 0.850 54.863 54.000 0.021 0.000 0.902 226 D CB -1.056 39.775 40.800 0.052 0.000 1.116 226 D HN 0.480 nan 8.370 nan 0.000 0.417 227 A N -0.982 121.771 122.820 -0.112 0.000 2.119 227 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 227 A C 2.014 179.142 177.584 -0.760 0.000 1.152 227 A CA 1.452 53.216 52.037 -0.456 0.000 0.708 227 A CB -0.243 18.681 19.000 -0.127 0.000 0.805 227 A HN 0.322 nan 8.150 nan 0.000 0.460 228 M N 1.213 120.588 119.600 -0.376 0.000 2.175 228 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 228 M C 1.992 178.127 176.300 -0.274 0.000 1.063 228 M CA 2.175 57.308 55.300 -0.278 0.000 1.119 228 M CB -0.512 31.996 32.600 -0.152 0.000 1.377 228 M HN 0.524 nan 8.290 nan 0.000 0.415 229 K N -0.374 119.882 120.400 -0.241 0.000 2.152 229 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 229 K C 0.934 177.520 176.600 -0.023 0.000 1.048 229 K CA 1.982 58.212 56.287 -0.095 0.000 0.933 229 K CB -1.140 31.359 32.500 -0.002 0.000 0.721 229 K HN 0.596 nan 8.250 nan 0.000 0.447 230 Y N 0.806 121.151 120.300 0.075 0.000 2.683 230 Y HA 0.434 4.984 4.550 -0.000 0.000 0.297 230 Y C -0.564 175.409 175.900 0.122 0.000 1.147 230 Y CA -1.048 57.135 58.100 0.138 0.000 1.274 230 Y CB -0.289 38.316 38.460 0.242 0.000 1.143 230 Y HN 0.099 nan 8.280 nan 0.000 0.527 231 S N -0.312 115.401 115.700 0.022 0.000 2.596 231 S HA 0.775 5.245 4.470 -0.000 0.000 0.270 231 S C -1.165 173.444 174.600 0.015 0.000 1.155 231 S CA -0.918 57.309 58.200 0.045 0.000 0.827 231 S CB 1.568 64.768 63.200 -0.000 0.000 1.130 231 S HN 0.206 nan 8.310 nan 0.000 0.467 232 I N 1.280 121.882 120.570 0.053 0.000 2.509 232 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 232 I C -0.916 175.239 176.117 0.063 0.000 1.020 232 I CA -0.908 60.421 61.300 0.049 0.000 1.088 232 I CB 1.642 39.685 38.000 0.073 0.000 1.267 232 I HN 0.517 nan 8.210 nan 0.000 0.430 233 I N 6.351 126.951 120.570 0.050 0.000 2.330 233 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 233 I C -0.188 175.963 176.117 0.058 0.000 1.001 233 I CA -0.601 60.749 61.300 0.082 0.000 1.193 233 I CB 1.399 39.443 38.000 0.074 0.000 1.345 233 I HN 0.187 nan 8.210 nan 0.000 0.461 234 V N 5.414 125.361 119.914 0.055 0.000 2.483 234 V HA 0.814 4.934 4.120 -0.000 0.000 0.295 234 V C 0.281 176.390 176.094 0.026 0.000 1.035 234 V CA -0.574 61.741 62.300 0.026 0.000 0.896 234 V CB 1.707 33.536 31.823 0.010 0.000 0.986 234 V HN 0.884 nan 8.190 nan 0.000 0.447 235 A N 3.636 126.471 122.820 0.024 0.000 2.442 235 A HA 0.845 5.165 4.320 -0.000 0.000 0.284 235 A C -0.434 177.169 177.584 0.031 0.000 1.058 235 A CA -0.179 51.877 52.037 0.032 0.000 0.738 235 A CB 1.460 20.490 19.000 0.051 0.000 1.242 235 A HN 1.374 nan 8.150 nan 0.000 0.421 236 A N 2.778 125.619 122.820 0.034 0.000 2.328 236 A HA 0.693 5.013 4.320 -0.000 0.000 0.318 236 A C 0.446 178.064 177.584 0.056 0.000 1.347 236 A CA 0.124 52.192 52.037 0.052 0.000 0.842 236 A CB -0.172 18.869 19.000 0.068 0.000 1.148 236 A HN 1.447 nan 8.150 nan 0.000 0.499 237 T N -0.768 113.819 114.554 0.055 0.000 2.816 237 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 237 T C 1.472 176.206 174.700 0.055 0.000 0.993 237 T CA 0.012 62.144 62.100 0.053 0.000 0.994 237 T CB 1.323 70.219 68.868 0.048 0.000 1.025 237 T HN 1.012 nan 8.240 nan 0.000 0.529 238 A N 0.953 123.804 122.820 0.050 0.000 1.972 238 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 238 A C 2.604 180.215 177.584 0.044 0.000 1.169 238 A CA 2.027 54.094 52.037 0.049 0.000 0.635 238 A CB -1.428 17.598 19.000 0.043 0.000 0.810 238 A HN 1.091 nan 8.150 nan 0.000 0.446 239 S N -0.022 115.701 115.700 0.040 0.000 2.387 239 S HA -0.057 4.413 4.470 -0.000 0.000 0.226 239 S C 0.738 175.361 174.600 0.039 0.000 1.026 239 S CA 0.426 58.647 58.200 0.034 0.000 0.972 239 S CB -0.472 62.746 63.200 0.029 0.000 0.814 239 S HN 0.633 nan 8.310 nan 0.000 0.477 240 E N 1.677 121.906 120.200 0.048 0.000 2.438 240 E HA 0.371 4.721 4.350 -0.000 0.000 0.261 240 E C 0.345 176.985 176.600 0.067 0.000 1.103 240 E CA -0.004 56.431 56.400 0.059 0.000 0.959 240 E CB 0.267 30.008 29.700 0.068 0.000 0.958 240 E HN 0.583 nan 8.360 nan 0.000 0.447 241 A N 1.612 124.477 122.820 0.075 0.000 2.507 241 A HA 0.199 4.519 4.320 -0.000 0.000 0.235 241 A C 1.171 178.815 177.584 0.101 0.000 1.070 241 A CA 0.590 52.671 52.037 0.072 0.000 0.768 241 A CB 0.342 19.382 19.000 0.067 0.000 1.011 241 A HN 0.762 nan 8.150 nan 0.000 0.502 242 A N 2.098 124.963 122.820 0.075 0.000 2.067 242 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 242 A C -0.584 177.094 177.584 0.157 0.000 1.158 242 A CA 1.658 53.753 52.037 0.098 0.000 0.661 242 A CB -1.106 17.924 19.000 0.049 0.000 0.801 242 A HN 0.631 nan 8.150 nan 0.000 0.452 243 P HA 0.039 nan 4.420 nan 0.000 0.226 243 P C 1.359 178.988 177.300 0.547 0.000 1.161 243 P CA 0.354 63.611 63.100 0.262 0.000 0.804 243 P CB -0.041 31.596 31.700 -0.104 0.000 0.829 244 L N -0.549 120.954 121.223 0.467 0.000 2.083 244 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 244 L C 2.601 179.612 176.870 0.235 0.000 1.083 244 L CA 1.577 56.637 54.840 0.367 0.000 0.752 244 L CB -0.886 41.324 42.059 0.251 0.000 0.899 244 L HN 0.008 nan 8.230 nan 0.000 0.433 245 Q N -1.127 118.809 119.800 0.226 0.000 2.079 245 Q HA -0.243 4.097 4.340 -0.000 0.000 0.200 245 Q C 2.139 178.272 176.000 0.222 0.000 0.974 245 Q CA 1.805 57.716 55.803 0.180 0.000 0.840 245 Q CB -0.345 28.489 28.738 0.160 0.000 0.898 245 Q HN 0.550 nan 8.270 nan 0.000 0.430 246 Y N 1.131 121.560 120.300 0.214 0.000 2.165 246 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 246 Y C 1.887 178.007 175.900 0.367 0.000 1.155 246 Y CA 1.253 59.523 58.100 0.282 0.000 1.164 246 Y CB -0.327 38.326 38.460 0.323 0.000 0.978 246 Y HN 0.064 nan 8.280 nan 0.000 0.513 247 L N 0.732 121.864 121.223 -0.151 0.000 2.131 247 L HA 0.114 4.454 4.340 -0.000 0.000 0.206 247 L C 2.618 179.488 176.870 0.001 0.000 1.087 247 L CA 1.654 56.357 54.840 -0.228 0.000 0.767 247 L CB -1.248 40.782 42.059 -0.049 0.000 0.917 247 L HN 0.332 nan 8.230 nan 0.000 0.441 248 A N 0.995 123.817 122.820 0.003 0.000 1.896 248 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 248 A C -0.054 177.515 177.584 -0.025 0.000 1.206 248 A CA 2.451 54.485 52.037 -0.005 0.000 0.647 248 A CB -2.335 16.671 19.000 0.010 0.000 0.828 248 A HN 0.463 nan 8.150 nan 0.000 0.455 249 P HA -0.161 nan 4.420 nan 0.000 0.216 249 P C 1.179 178.361 177.300 -0.198 0.000 1.150 249 P CA 1.292 64.298 63.100 -0.157 0.000 0.837 249 P CB -0.313 31.072 31.700 -0.526 0.000 0.786 250 F N 1.009 120.891 119.950 -0.112 0.000 2.113 250 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 250 F C 2.706 178.477 175.800 -0.048 0.000 1.103 250 F CA 2.050 59.988 58.000 -0.102 0.000 1.248 250 F CB -2.185 36.703 39.000 -0.186 0.000 0.999 250 F HN -0.030 nan 8.300 nan 0.000 0.475 251 T N -1.717 112.915 114.554 0.128 0.000 2.881 251 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 251 T C 2.030 176.759 174.700 0.048 0.000 1.068 251 T CA 0.984 63.114 62.100 0.051 0.000 1.131 251 T CB -0.742 68.120 68.868 -0.011 0.000 0.871 251 T HN 0.227 nan 8.240 nan 0.000 0.479 252 A N 1.500 124.353 122.820 0.055 0.000 1.970 252 A HA 0.547 4.867 4.320 -0.000 0.000 0.216 252 A C 2.782 180.426 177.584 0.099 0.000 1.170 252 A CA 1.278 53.352 52.037 0.063 0.000 0.645 252 A CB -1.202 17.828 19.000 0.049 0.000 0.816 252 A HN 0.678 nan 8.150 nan 0.000 0.447 253 A N -0.002 122.897 122.820 0.131 0.000 1.877 253 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 253 A C 2.424 180.089 177.584 0.136 0.000 1.186 253 A CA 2.136 54.265 52.037 0.154 0.000 0.620 253 A CB -0.926 18.164 19.000 0.150 0.000 0.822 253 A HN 0.463 nan 8.150 nan 0.000 0.443 254 S N -0.018 115.753 115.700 0.118 0.000 2.382 254 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 254 S C 1.782 176.445 174.600 0.104 0.000 1.027 254 S CA 1.478 59.740 58.200 0.104 0.000 0.991 254 S CB -0.538 62.709 63.200 0.078 0.000 0.823 254 S HN 0.528 nan 8.310 nan 0.000 0.469 255 I N 1.590 122.212 120.570 0.087 0.000 2.163 255 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 255 I C 2.674 178.895 176.117 0.173 0.000 1.085 255 I CA 1.346 62.690 61.300 0.074 0.000 1.347 255 I CB -0.716 37.320 38.000 0.059 0.000 1.044 255 I HN 0.394 nan 8.210 nan 0.000 0.408 256 G N -0.231 108.708 108.800 0.233 0.000 2.403 256 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 256 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 256 G C 1.466 176.578 174.900 0.352 0.000 1.154 256 G CA 0.223 45.546 45.100 0.372 0.000 0.784 256 G HN 0.372 nan 8.290 nan 0.000 0.538 257 E N -0.610 119.720 120.200 0.217 0.000 2.273 257 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 257 E C 1.861 178.539 176.600 0.131 0.000 1.002 257 E CA 0.615 57.111 56.400 0.159 0.000 0.828 257 E CB -0.185 29.586 29.700 0.118 0.000 0.747 257 E HN 0.680 nan 8.360 nan 0.000 0.491 258 W N 0.370 121.623 121.300 -0.079 0.000 2.338 258 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 258 W C 1.444 177.821 176.519 -0.237 0.000 1.212 258 W CA 1.549 58.756 57.345 -0.230 0.000 1.264 258 W CB -0.291 28.915 29.460 -0.424 0.000 1.142 258 W HN 0.005 nan 8.180 nan 0.000 0.512 259 F N 0.170 120.233 119.950 0.188 0.000 2.146 259 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 259 F C 2.700 178.434 175.800 -0.111 0.000 1.096 259 F CA 1.928 59.946 58.000 0.029 0.000 1.275 259 F CB -1.335 37.800 39.000 0.226 0.000 1.008 259 F HN -0.189 nan 8.300 nan 0.000 0.480 260 R N 0.958 121.536 120.500 0.131 0.000 2.083 260 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 260 R C 1.662 177.926 176.300 -0.060 0.000 1.137 260 R CA 2.297 58.420 56.100 0.038 0.000 0.951 260 R CB -0.587 29.756 30.300 0.072 0.000 0.851 260 R HN 0.210 nan 8.270 nan 0.000 0.434 261 D N 0.250 120.581 120.400 -0.116 0.000 2.144 261 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 261 D C 1.136 177.292 176.300 -0.240 0.000 0.984 261 D CA 0.877 54.777 54.000 -0.167 0.000 0.834 261 D CB -0.504 40.181 40.800 -0.192 0.000 0.955 261 D HN 0.271 nan 8.370 nan 0.000 0.465 262 N N -0.042 118.438 118.700 -0.367 0.000 2.434 262 N HA 0.024 4.764 4.740 -0.000 0.000 0.196 262 N C 1.182 176.553 175.510 -0.231 0.000 1.183 262 N CA 0.666 53.474 53.050 -0.402 0.000 0.849 262 N CB 0.787 38.820 38.487 -0.757 0.000 0.992 262 N HN 0.273 nan 8.380 nan 0.000 0.460 263 G N 0.647 109.337 108.800 -0.183 0.000 2.184 263 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.264 263 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.264 263 G C 0.325 175.055 174.900 -0.283 0.000 0.975 263 G CA 0.490 45.483 45.100 -0.178 0.000 0.642 263 G HN 0.353 nan 8.290 nan 0.000 0.536 264 K N -0.147 120.117 120.400 -0.227 0.000 2.240 264 K HA 0.638 4.958 4.320 -0.000 0.000 0.237 264 K C -0.226 176.140 176.600 -0.390 0.000 1.027 264 K CA -0.842 55.288 56.287 -0.261 0.000 0.937 264 K CB 0.622 33.201 32.500 0.131 0.000 1.171 264 K HN 0.318 nan 8.250 nan 0.000 0.479 265 H N -0.604 118.459 119.070 -0.012 0.000 2.495 265 H HA 0.535 5.091 4.556 -0.000 0.000 0.348 265 H C -1.069 174.194 175.328 -0.108 0.000 1.113 265 H CA -0.795 55.215 56.048 -0.064 0.000 1.195 265 H CB 1.947 31.622 29.762 -0.145 0.000 1.521 265 H HN 0.652 nan 8.280 nan 0.000 0.509 266 A N 3.263 126.132 122.820 0.082 0.000 2.398 266 A HA 0.418 4.738 4.320 -0.000 0.000 0.301 266 A C -1.215 176.384 177.584 0.025 0.000 1.041 266 A CA -0.656 51.390 52.037 0.015 0.000 0.711 266 A CB 1.492 20.583 19.000 0.152 0.000 1.240 266 A HN 0.489 nan 8.150 nan 0.000 0.420 267 L N 3.021 124.239 121.223 -0.009 0.000 2.275 267 L HA 0.730 5.070 4.340 -0.000 0.000 0.288 267 L C -0.713 176.126 176.870 -0.053 0.000 1.046 267 L CA -0.304 54.518 54.840 -0.029 0.000 0.805 267 L CB 0.862 42.906 42.059 -0.025 0.000 1.193 267 L HN 0.642 nan 8.230 nan 0.000 0.426 268 I N 5.423 125.911 120.570 -0.136 0.000 2.389 268 I HA 0.458 4.628 4.170 -0.000 0.000 0.288 268 I C -1.151 174.667 176.117 -0.497 0.000 0.999 268 I CA -0.559 60.560 61.300 -0.302 0.000 1.129 268 I CB 1.561 39.337 38.000 -0.373 0.000 1.288 268 I HN 0.355 nan 8.210 nan 0.000 0.444 269 V N 8.511 128.173 119.914 -0.419 0.000 2.293 269 V HA 0.243 4.363 4.120 -0.000 0.000 0.275 269 V C -0.957 174.869 176.094 -0.447 0.000 1.021 269 V CA -0.461 61.631 62.300 -0.345 0.000 0.815 269 V CB 0.533 32.314 31.823 -0.071 0.000 1.025 269 V HN 0.483 nan 8.190 nan 0.000 0.448 270 Y N 2.420 122.614 120.300 -0.176 0.000 2.636 270 Y HA 0.394 4.944 4.550 -0.000 0.000 0.341 270 Y C 0.504 176.270 175.900 -0.222 0.000 1.169 270 Y CA -0.972 56.996 58.100 -0.220 0.000 1.498 270 Y CB 0.058 38.393 38.460 -0.209 0.000 1.362 270 Y HN 0.535 nan 8.280 nan 0.000 0.494 271 D N 3.691 123.969 120.400 -0.204 0.000 2.472 271 D HA 0.124 4.764 4.640 -0.000 0.000 0.234 271 D C -0.881 175.342 176.300 -0.128 0.000 1.088 271 D CA -0.479 53.414 54.000 -0.179 0.000 0.882 271 D CB 0.337 40.984 40.800 -0.254 0.000 1.037 271 D HN 0.606 nan 8.370 nan 0.000 0.520 272 D N 1.853 122.223 120.400 -0.050 0.000 2.497 272 D HA 0.170 4.810 4.640 -0.000 0.000 0.243 272 D C 0.749 177.030 176.300 -0.031 0.000 1.039 272 D CA -0.724 53.253 54.000 -0.038 0.000 1.052 272 D CB 1.483 42.267 40.800 -0.027 0.000 1.344 272 D HN 0.228 nan 8.370 nan 0.000 0.553 273 L N 0.124 121.300 121.223 -0.077 0.000 2.592 273 L HA 0.016 4.356 4.340 -0.000 0.000 0.227 273 L C 1.872 178.692 176.870 -0.084 0.000 1.127 273 L CA 0.133 54.886 54.840 -0.145 0.000 0.884 273 L CB 0.142 41.943 42.059 -0.431 0.000 1.065 273 L HN 0.353 nan 8.230 nan 0.000 0.457 274 S N -0.576 115.110 115.700 -0.024 0.000 2.503 274 S HA 0.032 4.502 4.470 -0.000 0.000 0.217 274 S C 1.778 176.446 174.600 0.113 0.000 0.999 274 S CA 0.423 58.651 58.200 0.046 0.000 0.914 274 S CB 0.294 63.507 63.200 0.022 0.000 0.782 274 S HN 0.319 nan 8.310 nan 0.000 0.520 275 K N 0.575 121.029 120.400 0.090 0.000 2.211 275 K HA 0.113 4.433 4.320 -0.000 0.000 0.201 275 K C 2.222 178.908 176.600 0.145 0.000 1.052 275 K CA 0.401 56.752 56.287 0.106 0.000 0.973 275 K CB -0.095 32.448 32.500 0.071 0.000 0.766 275 K HN 0.257 nan 8.250 nan 0.000 0.466 276 Q N 1.059 120.949 119.800 0.151 0.000 2.167 276 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 276 Q C 1.837 178.002 176.000 0.275 0.000 0.970 276 Q CA 1.368 57.294 55.803 0.205 0.000 0.855 276 Q CB 0.045 28.878 28.738 0.159 0.000 0.911 276 Q HN 0.265 nan 8.270 nan 0.000 0.438 277 A N 0.158 123.155 122.820 0.294 0.000 1.933 277 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 277 A C 2.279 180.114 177.584 0.419 0.000 1.175 277 A CA 1.461 53.702 52.037 0.339 0.000 0.628 277 A CB -0.648 18.553 19.000 0.336 0.000 0.814 277 A HN 0.262 nan 8.150 nan 0.000 0.444 278 V N -0.305 119.796 119.914 0.311 0.000 2.358 278 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 278 V C 3.048 179.243 176.094 0.170 0.000 1.047 278 V CA 1.865 64.296 62.300 0.218 0.000 1.035 278 V CB -1.012 30.902 31.823 0.152 0.000 0.658 278 V HN 0.614 nan 8.190 nan 0.000 0.452 279 A N -1.169 121.766 122.820 0.192 0.000 1.902 279 A HA -0.271 4.048 4.320 -0.000 0.000 0.217 279 A C 2.146 179.832 177.584 0.169 0.000 1.181 279 A CA 2.053 54.192 52.037 0.170 0.000 0.623 279 A CB -0.771 18.352 19.000 0.205 0.000 0.818 279 A HN 0.635 nan 8.150 nan 0.000 0.443 280 Y N 0.142 120.507 120.300 0.109 0.000 2.242 280 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 280 Y C 2.521 178.432 175.900 0.017 0.000 1.137 280 Y CA 2.004 60.124 58.100 0.033 0.000 1.181 280 Y CB -0.202 38.295 38.460 0.062 0.000 0.989 280 Y HN 0.299 nan 8.280 nan 0.000 0.527 281 R N 0.316 120.930 120.500 0.190 0.000 2.152 281 R HA -0.215 4.125 4.340 -0.000 0.000 0.232 281 R C 2.358 178.614 176.300 -0.073 0.000 1.117 281 R CA 1.613 57.737 56.100 0.040 0.000 0.981 281 R CB -0.268 29.993 30.300 -0.065 0.000 0.870 281 R HN 0.541 nan 8.270 nan 0.000 0.451 282 Q N 0.525 120.293 119.800 -0.053 0.000 1.993 282 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 282 Q C 1.631 177.558 176.000 -0.122 0.000 0.984 282 Q CA 1.560 57.321 55.803 -0.071 0.000 0.837 282 Q CB -0.059 28.659 28.738 -0.033 0.000 0.902 282 Q HN 0.388 nan 8.270 nan 0.000 0.423 283 L N 0.727 121.843 121.223 -0.180 0.000 2.675 283 L HA 0.028 4.368 4.340 -0.000 0.000 0.239 283 L C 1.987 178.665 176.870 -0.320 0.000 1.151 283 L CA 0.008 54.704 54.840 -0.240 0.000 0.905 283 L CB 0.125 42.022 42.059 -0.271 0.000 1.057 283 L HN 0.153 nan 8.230 nan 0.000 0.435 284 S N -0.563 114.954 115.700 -0.306 0.000 2.460 284 S HA 0.132 4.602 4.470 -0.000 0.000 0.226 284 S C 1.775 176.289 174.600 -0.142 0.000 1.057 284 S CA 0.317 58.360 58.200 -0.261 0.000 0.948 284 S CB 0.161 63.229 63.200 -0.220 0.000 0.822 284 S HN 0.332 nan 8.310 nan 0.000 0.512 285 L N 1.378 122.531 121.223 -0.116 0.000 2.179 285 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 285 L C 2.123 178.945 176.870 -0.080 0.000 1.096 285 L CA 0.685 55.475 54.840 -0.084 0.000 0.779 285 L CB -0.408 41.605 42.059 -0.077 0.000 0.922 285 L HN 0.285 nan 8.230 nan 0.000 0.443 286 L N -0.557 120.611 121.223 -0.093 0.000 2.017 286 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 286 L C 1.849 178.669 176.870 -0.083 0.000 1.073 286 L CA 1.158 55.948 54.840 -0.083 0.000 0.745 286 L CB -0.445 41.559 42.059 -0.091 0.000 0.894 286 L HN 0.223 nan 8.230 nan 0.000 0.432 287 L N 0.161 121.321 121.223 -0.104 0.000 2.798 287 L HA 0.034 4.374 4.340 -0.000 0.000 0.254 287 L C 0.775 177.602 176.870 -0.071 0.000 1.176 287 L CA 0.215 54.998 54.840 -0.094 0.000 0.991 287 L CB -0.578 41.407 42.059 -0.124 0.000 1.225 287 L HN 0.265 nan 8.230 nan 0.000 0.420 288 R N -0.486 119.978 120.500 -0.061 0.000 3.847 288 R HA -0.171 4.169 4.340 -0.000 0.000 0.304 288 R C -0.123 176.154 176.300 -0.038 0.000 1.203 288 R CA 0.456 56.529 56.100 -0.044 0.000 0.835 288 R CB -1.027 29.252 30.300 -0.034 0.000 1.253 288 R HN 0.305 nan 8.270 nan 0.000 0.516 289 R N 1.021 121.493 120.500 -0.047 0.000 2.347 289 R HA 0.188 4.528 4.340 -0.000 0.000 0.304 289 R C -2.071 174.222 176.300 -0.013 0.000 1.072 289 R CA -2.149 53.934 56.100 -0.028 0.000 0.980 289 R CB -0.097 30.181 30.300 -0.037 0.000 0.986 289 R HN -0.044 nan 8.270 nan 0.000 0.448 290 P HA -0.050 nan 4.420 nan 0.000 0.265 290 P C -2.286 175.023 177.300 0.013 0.000 1.167 290 P CA -0.276 62.827 63.100 0.005 0.000 0.760 290 P CB -0.048 31.659 31.700 0.012 0.000 0.783 291 P HA 0.363 nan 4.420 nan 0.000 0.300 291 P C -0.038 177.265 177.300 0.006 0.000 1.326 291 P CA -0.197 62.904 63.100 0.002 0.000 0.844 291 P CB 1.900 33.590 31.700 -0.017 0.000 0.992 292 G N 2.473 111.285 108.800 0.020 0.000 3.247 292 G HA2 0.329 4.289 3.960 -0.000 0.000 0.163 292 G HA3 0.329 4.289 3.960 -0.000 0.000 0.163 292 G C -0.565 174.303 174.900 -0.052 0.000 1.206 292 G CA -0.889 44.203 45.100 -0.014 0.000 0.918 292 G HN 0.342 nan 8.290 nan 0.000 0.625 293 R N 1.111 121.506 120.500 -0.175 0.000 2.480 293 R HA 0.163 4.503 4.340 -0.000 0.000 0.303 293 R C 0.002 176.321 176.300 0.032 0.000 0.985 293 R CA 0.672 56.632 56.100 -0.234 0.000 1.051 293 R CB -0.062 29.780 30.300 -0.764 0.000 0.935 293 R HN 0.715 nan 8.270 nan 0.000 0.410 294 E N 1.929 122.163 120.200 0.057 0.000 2.883 294 E HA -0.339 4.011 4.350 -0.000 0.000 0.271 294 E C 0.073 176.665 176.600 -0.014 0.000 1.049 294 E CA 0.497 56.962 56.400 0.109 0.000 0.817 294 E CB -1.033 28.847 29.700 0.300 0.000 1.407 294 E HN 0.904 nan 8.360 nan 0.000 0.434 295 A N -1.988 120.816 122.820 -0.026 0.000 2.969 295 A HA -0.263 4.057 4.320 -0.000 0.000 0.252 295 A C -0.220 177.273 177.584 -0.151 0.000 1.377 295 A CA 1.444 53.425 52.037 -0.093 0.000 0.859 295 A CB -2.221 16.701 19.000 -0.130 0.000 1.077 295 A HN 0.401 nan 8.150 nan 0.000 0.671 296 Y N 0.225 120.579 120.300 0.090 0.000 2.320 296 Y HA 0.521 5.071 4.550 -0.000 0.000 0.324 296 Y C -1.267 174.722 175.900 0.148 0.000 1.190 296 Y CA -1.563 56.636 58.100 0.165 0.000 1.215 296 Y CB 0.635 39.273 38.460 0.297 0.000 1.221 296 Y HN 0.258 nan 8.280 nan 0.000 0.486 297 P HA 0.032 nan 4.420 nan 0.000 0.272 297 P C 0.561 178.033 177.300 0.286 0.000 1.240 297 P CA 0.072 63.325 63.100 0.256 0.000 0.791 297 P CB 0.943 32.811 31.700 0.280 0.000 0.978 298 G N 1.662 110.588 108.800 0.210 0.000 2.440 298 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 298 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 298 G C 0.783 175.820 174.900 0.229 0.000 1.154 298 G CA 0.936 46.155 45.100 0.199 0.000 0.767 298 G HN 0.624 nan 8.290 nan 0.000 0.552 299 D N 0.537 121.077 120.400 0.234 0.000 2.336 299 D HA 0.031 4.671 4.640 -0.000 0.000 0.229 299 D C 1.975 178.385 176.300 0.183 0.000 1.061 299 D CA 0.106 54.253 54.000 0.245 0.000 0.875 299 D CB -0.143 40.817 40.800 0.266 0.000 0.904 299 D HN 0.164 nan 8.370 nan 0.000 0.525 300 V N -0.124 119.899 119.914 0.183 0.000 2.392 300 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 300 V C 1.847 177.882 176.094 -0.098 0.000 1.059 300 V CA 1.728 64.042 62.300 0.024 0.000 1.051 300 V CB -0.688 31.241 31.823 0.176 0.000 0.658 300 V HN 0.291 nan 8.190 nan 0.000 0.455 301 F N -0.210 119.684 119.950 -0.093 0.000 2.146 301 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 301 F C 2.131 177.923 175.800 -0.012 0.000 1.096 301 F CA 2.132 60.082 58.000 -0.083 0.000 1.275 301 F CB -0.587 38.377 39.000 -0.061 0.000 1.008 301 F HN 0.345 nan 8.300 nan 0.000 0.480 302 Y N 0.928 121.218 120.300 -0.017 0.000 2.274 302 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 302 Y C 2.062 177.853 175.900 -0.183 0.000 1.145 302 Y CA 1.506 59.553 58.100 -0.089 0.000 1.203 302 Y CB -0.773 37.730 38.460 0.070 0.000 0.984 302 Y HN 0.243 nan 8.280 nan 0.000 0.533 303 L N -0.267 120.728 121.223 -0.379 0.000 2.127 303 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 303 L C 1.679 178.297 176.870 -0.419 0.000 1.089 303 L CA 2.305 56.860 54.840 -0.474 0.000 0.757 303 L CB -0.695 40.920 42.059 -0.739 0.000 0.899 303 L HN 0.379 nan 8.230 nan 0.000 0.434 304 H N -2.204 116.641 119.070 -0.375 0.000 2.604 304 H HA 0.087 4.643 4.556 -0.000 0.000 0.273 304 H C 2.334 177.383 175.328 -0.464 0.000 0.971 304 H CA 0.574 56.366 56.048 -0.426 0.000 1.249 304 H CB 0.179 29.704 29.762 -0.396 0.000 1.449 304 H HN 0.502 nan 8.280 nan 0.000 0.512 305 S N 1.981 117.389 115.700 -0.486 0.000 2.351 305 S HA -0.270 4.200 4.470 -0.000 0.000 0.220 305 S C 2.182 176.659 174.600 -0.206 0.000 1.035 305 S CA 1.422 59.355 58.200 -0.445 0.000 1.031 305 S CB -0.296 62.581 63.200 -0.538 0.000 0.928 305 S HN 0.556 nan 8.310 nan 0.000 0.433 306 R N 1.050 121.421 120.500 -0.214 0.000 2.096 306 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 306 R C 2.443 178.699 176.300 -0.073 0.000 1.127 306 R CA 1.488 57.516 56.100 -0.119 0.000 0.968 306 R CB -0.989 29.163 30.300 -0.247 0.000 0.861 306 R HN 0.475 nan 8.270 nan 0.000 0.440 307 L N 1.132 122.277 121.223 -0.131 0.000 2.042 307 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 307 L C 2.116 178.882 176.870 -0.174 0.000 1.076 307 L CA 1.633 56.334 54.840 -0.232 0.000 0.749 307 L CB -0.141 41.536 42.059 -0.637 0.000 0.893 307 L HN 0.258 nan 8.230 nan 0.000 0.432 308 L N -1.281 119.851 121.223 -0.152 0.000 2.202 308 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 308 L C 2.540 179.411 176.870 0.001 0.000 1.083 308 L CA 0.328 55.145 54.840 -0.037 0.000 0.790 308 L CB -0.648 41.375 42.059 -0.060 0.000 0.942 308 L HN 0.194 nan 8.230 nan 0.000 0.452 309 E N 0.934 121.123 120.200 -0.017 0.000 2.147 309 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 309 E C 2.195 178.817 176.600 0.037 0.000 1.005 309 E CA 1.321 57.731 56.400 0.017 0.000 0.810 309 E CB -0.103 29.613 29.700 0.027 0.000 0.736 309 E HN 0.410 nan 8.360 nan 0.000 0.460 310 R N 0.195 120.720 120.500 0.041 0.000 2.249 310 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 310 R C 0.811 177.151 176.300 0.067 0.000 1.121 310 R CA 0.640 56.776 56.100 0.060 0.000 0.997 310 R CB -0.094 30.250 30.300 0.073 0.000 0.867 310 R HN -0.041 nan 8.270 nan 0.000 0.465 311 A N 0.905 123.765 122.820 0.065 0.000 2.347 311 A HA 0.625 4.945 4.320 -0.000 0.000 0.287 311 A C -0.248 177.364 177.584 0.047 0.000 1.199 311 A CA -0.086 51.988 52.037 0.061 0.000 0.851 311 A CB 0.420 19.457 19.000 0.061 0.000 1.118 311 A HN 0.281 nan 8.150 nan 0.000 0.525 312 A N 2.587 125.435 122.820 0.048 0.000 2.583 312 A HA 0.827 5.147 4.320 -0.000 0.000 0.289 312 A C -0.749 176.862 177.584 0.045 0.000 1.151 312 A CA -0.774 51.288 52.037 0.042 0.000 0.695 312 A CB 1.227 20.252 19.000 0.042 0.000 1.290 312 A HN 0.795 nan 8.150 nan 0.000 0.419 313 K N 0.674 121.098 120.400 0.041 0.000 2.358 313 K HA 0.703 5.023 4.320 -0.000 0.000 0.260 313 K C -1.641 174.989 176.600 0.052 0.000 0.956 313 K CA -0.189 56.127 56.287 0.049 0.000 0.834 313 K CB 0.803 33.323 32.500 0.033 0.000 1.102 313 K HN 0.580 nan 8.250 nan 0.000 0.431 314 L N 3.154 124.411 121.223 0.055 0.000 2.325 314 L HA 0.429 4.769 4.340 -0.000 0.000 0.279 314 L C 0.369 177.267 176.870 0.047 0.000 1.054 314 L CA -0.801 54.063 54.840 0.041 0.000 0.804 314 L CB 1.714 43.786 42.059 0.022 0.000 1.200 314 L HN 0.874 nan 8.230 nan 0.000 0.436 315 S N 0.724 116.445 115.700 0.035 0.000 2.600 315 S HA 0.093 4.563 4.470 -0.000 0.000 0.265 315 S C 0.887 175.501 174.600 0.022 0.000 1.325 315 S CA -0.474 57.746 58.200 0.032 0.000 1.002 315 S CB 0.859 64.072 63.200 0.022 0.000 0.921 315 S HN 0.720 nan 8.310 nan 0.000 0.554 316 E N 0.983 121.196 120.200 0.021 0.000 2.147 316 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 316 E C 1.709 178.310 176.600 0.001 0.000 1.005 316 E CA 1.145 57.553 56.400 0.012 0.000 0.810 316 E CB -0.165 29.542 29.700 0.011 0.000 0.736 316 E HN 0.548 nan 8.360 nan 0.000 0.460 317 K N 0.522 120.922 120.400 0.001 0.000 2.281 317 K HA -0.161 4.159 4.320 -0.000 0.000 0.203 317 K C 1.063 177.657 176.600 -0.011 0.000 1.046 317 K CA 0.970 57.255 56.287 -0.004 0.000 0.938 317 K CB 0.190 32.689 32.500 -0.001 0.000 0.737 317 K HN 0.203 nan 8.250 nan 0.000 0.458 318 E N -1.731 118.462 120.200 -0.011 0.000 2.526 318 E HA 0.124 4.474 4.350 -0.000 0.000 0.208 318 E C 1.072 177.649 176.600 -0.038 0.000 0.997 318 E CA 0.578 56.965 56.400 -0.022 0.000 0.961 318 E CB 1.151 30.843 29.700 -0.014 0.000 1.030 318 E HN 0.369 nan 8.360 nan 0.000 0.483 319 G N 0.853 109.634 108.800 -0.033 0.000 2.284 319 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.201 319 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.201 319 G C 0.742 175.616 174.900 -0.043 0.000 0.998 319 G CA 0.286 45.356 45.100 -0.049 0.000 0.651 319 G HN 0.143 nan 8.290 nan 0.000 0.489 320 S N -1.598 114.092 115.700 -0.017 0.000 2.154 320 S HA -0.165 4.305 4.470 -0.000 0.000 0.247 320 S C 1.874 176.489 174.600 0.024 0.000 1.170 320 S CA 1.627 59.839 58.200 0.020 0.000 1.419 320 S CB -1.564 61.659 63.200 0.039 0.000 1.768 320 S HN 2.224 nan 8.310 nan 0.000 0.587 321 G N 1.676 110.425 108.800 -0.084 0.000 2.664 321 G HA2 0.456 4.416 3.960 -0.000 0.000 0.242 321 G HA3 0.456 4.416 3.960 -0.000 0.000 0.242 321 G C -0.036 174.881 174.900 0.028 0.000 1.225 321 G CA 0.660 45.645 45.100 -0.192 0.000 0.849 321 G HN 1.403 nan 8.290 nan 0.000 0.581 322 S N -0.745 115.051 115.700 0.159 0.000 2.588 322 S HA 0.645 5.115 4.470 -0.000 0.000 0.275 322 S C -1.303 173.391 174.600 0.157 0.000 1.130 322 S CA -0.900 57.412 58.200 0.187 0.000 0.855 322 S CB 2.011 65.328 63.200 0.195 0.000 1.116 322 S HN 0.953 nan 8.310 nan 0.000 0.472 323 L N 1.678 122.964 121.223 0.104 0.000 2.341 323 L HA 0.753 5.093 4.340 -0.000 0.000 0.278 323 L C -0.676 176.221 176.870 0.044 0.000 1.005 323 L CA 0.175 55.069 54.840 0.089 0.000 0.818 323 L CB 1.907 44.025 42.059 0.099 0.000 1.259 323 L HN 0.944 nan 8.230 nan 0.000 0.418 324 T N 4.177 118.739 114.554 0.014 0.000 2.794 324 T HA 0.794 5.144 4.350 -0.000 0.000 0.280 324 T C -0.310 174.363 174.700 -0.044 0.000 0.987 324 T CA -0.369 61.719 62.100 -0.020 0.000 0.993 324 T CB 1.431 70.272 68.868 -0.045 0.000 0.939 324 T HN 0.801 nan 8.240 nan 0.000 0.449 325 A N 3.682 126.485 122.820 -0.029 0.000 2.271 325 A HA 0.717 5.037 4.320 -0.000 0.000 0.317 325 A C -0.331 177.228 177.584 -0.042 0.000 1.245 325 A CA -0.719 51.296 52.037 -0.035 0.000 0.857 325 A CB 0.186 19.224 19.000 0.063 0.000 1.175 325 A HN 0.887 nan 8.150 nan 0.000 0.512 326 L N 5.341 126.506 121.223 -0.096 0.000 2.445 326 L HA 0.333 4.673 4.340 -0.000 0.000 0.252 326 L C -2.368 174.477 176.870 -0.041 0.000 1.105 326 L CA -1.743 53.064 54.840 -0.056 0.000 0.943 326 L CB 1.623 43.651 42.059 -0.052 0.000 1.277 326 L HN 0.497 nan 8.230 nan 0.000 0.465 327 P HA 0.202 nan 4.420 nan 0.000 0.278 327 P C -0.554 176.740 177.300 -0.011 0.000 1.238 327 P CA -0.232 62.918 63.100 0.084 0.000 0.794 327 P CB 2.116 33.839 31.700 0.039 0.000 0.955 328 V N 3.849 123.746 119.914 -0.028 0.000 2.513 328 V HA 0.444 4.564 4.120 -0.000 0.000 0.299 328 V C 0.369 176.421 176.094 -0.070 0.000 1.035 328 V CA -0.592 61.682 62.300 -0.044 0.000 0.889 328 V CB 1.618 33.422 31.823 -0.030 0.000 0.988 328 V HN 0.420 nan 8.190 nan 0.000 0.440 329 I N 3.040 123.573 120.570 -0.063 0.000 2.730 329 I HA 0.498 4.668 4.170 -0.000 0.000 0.298 329 I C -0.283 175.809 176.117 -0.042 0.000 1.089 329 I CA -0.594 60.669 61.300 -0.061 0.000 1.041 329 I CB 2.210 40.170 38.000 -0.067 0.000 1.235 329 I HN 0.788 nan 8.210 nan 0.000 0.423 330 E N 3.645 123.831 120.200 -0.024 0.000 2.145 330 E HA 0.411 4.761 4.350 -0.000 0.000 0.262 330 E C -0.471 176.134 176.600 0.009 0.000 0.883 330 E CA -0.430 55.958 56.400 -0.019 0.000 0.748 330 E CB 1.202 30.895 29.700 -0.012 0.000 1.140 330 E HN 0.732 nan 8.360 nan 0.000 0.417 331 T N 1.693 116.252 114.554 0.009 0.000 2.788 331 T HA 0.304 4.654 4.350 -0.000 0.000 0.280 331 T C 0.069 174.793 174.700 0.040 0.000 0.984 331 T CA -0.850 61.279 62.100 0.048 0.000 0.972 331 T CB 1.219 70.145 68.868 0.097 0.000 1.039 331 T HN 0.345 nan 8.240 nan 0.000 0.530 332 Q N 0.071 119.906 119.800 0.059 0.000 2.325 332 Q HA 0.480 4.820 4.340 -0.000 0.000 0.270 332 Q C 0.782 176.815 176.000 0.055 0.000 1.020 332 Q CA -0.040 55.792 55.803 0.048 0.000 0.785 332 Q CB 1.503 30.273 28.738 0.053 0.000 1.259 332 Q HN 1.320 nan 8.270 nan 0.000 0.452 333 G N 1.646 110.472 108.800 0.043 0.000 2.179 333 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 333 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 333 G C 0.722 175.672 174.900 0.082 0.000 1.010 333 G CA 0.716 45.846 45.100 0.049 0.000 0.736 333 G HN 1.323 nan 8.290 nan 0.000 0.513 334 G N -0.824 108.040 108.800 0.107 0.000 2.221 334 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.265 334 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.265 334 G C -0.016 175.030 174.900 0.243 0.000 1.041 334 G CA 1.001 46.238 45.100 0.227 0.000 0.807 334 G HN 1.488 nan 8.290 nan 0.000 0.502 335 D N -0.241 120.254 120.400 0.160 0.000 2.396 335 D HA 0.461 5.101 4.640 -0.000 0.000 0.225 335 D C 1.574 177.948 176.300 0.123 0.000 1.121 335 D CA 0.110 54.178 54.000 0.113 0.000 0.853 335 D CB 1.112 41.961 40.800 0.081 0.000 1.043 335 D HN 0.529 nan 8.370 nan 0.000 0.500 336 V N 1.351 121.322 119.914 0.095 0.000 3.406 336 V HA 0.018 4.138 4.120 -0.000 0.000 0.263 336 V C 1.520 177.640 176.094 0.044 0.000 1.172 336 V CA 0.852 63.198 62.300 0.076 0.000 1.140 336 V CB -0.186 31.644 31.823 0.012 0.000 0.784 336 V HN 0.369 nan 8.190 nan 0.000 0.467 337 S N 1.535 117.258 115.700 0.039 0.000 2.402 337 S HA 0.246 4.716 4.470 -0.000 0.000 0.229 337 S C 1.467 176.109 174.600 0.071 0.000 1.021 337 S CA 0.700 58.925 58.200 0.041 0.000 0.974 337 S CB -0.516 62.704 63.200 0.033 0.000 0.800 337 S HN 1.035 nan 8.310 nan 0.000 0.484 338 A N 1.130 124.001 122.820 0.084 0.000 2.586 338 A HA 0.077 4.397 4.320 -0.000 0.000 0.231 338 A C 0.910 178.577 177.584 0.137 0.000 1.055 338 A CA -0.000 52.107 52.037 0.116 0.000 0.756 338 A CB -0.307 18.759 19.000 0.110 0.000 0.988 338 A HN 0.370 nan 8.150 nan 0.000 0.509 339 Y N 2.176 122.491 120.300 0.025 0.000 2.081 339 Y HA -0.251 4.299 4.550 -0.000 0.000 0.280 339 Y C 1.879 177.759 175.900 -0.033 0.000 1.163 339 Y CA 2.413 60.513 58.100 0.001 0.000 1.135 339 Y CB -0.124 38.342 38.460 0.010 0.000 0.970 339 Y HN 0.568 nan 8.280 nan 0.000 0.498 340 I N 0.357 120.841 120.570 -0.143 0.000 2.163 340 I HA -0.183 3.987 4.170 -0.000 0.000 0.240 340 I C -0.306 175.744 176.117 -0.112 0.000 1.081 340 I CA 1.343 62.508 61.300 -0.224 0.000 1.353 340 I CB -2.820 35.068 38.000 -0.187 0.000 1.054 340 I HN 0.143 nan 8.210 nan 0.000 0.407 341 P HA -0.168 nan 4.420 nan 0.000 0.216 341 P C 1.828 179.124 177.300 -0.006 0.000 1.157 341 P CA 2.654 65.752 63.100 -0.004 0.000 0.880 341 P CB -0.311 31.416 31.700 0.045 0.000 0.791 342 T N -3.533 111.018 114.554 -0.005 0.000 2.788 342 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 342 T C 1.717 176.416 174.700 -0.001 0.000 1.044 342 T CA 1.394 63.495 62.100 0.002 0.000 1.139 342 T CB -1.203 67.677 68.868 0.020 0.000 0.867 342 T HN -0.020 nan 8.240 nan 0.000 0.454 343 N N 1.413 120.079 118.700 -0.056 0.000 2.043 343 N HA -0.065 4.675 4.740 -0.000 0.000 0.193 343 N C 1.941 177.543 175.510 0.153 0.000 1.037 343 N CA 1.255 54.358 53.050 0.088 0.000 0.851 343 N CB -0.954 37.529 38.487 -0.006 0.000 1.027 343 N HN 0.311 nan 8.380 nan 0.000 0.422 344 V N 1.163 121.079 119.914 0.004 0.000 2.626 344 V HA -0.115 4.005 4.120 -0.000 0.000 0.252 344 V C 2.124 178.215 176.094 -0.005 0.000 1.067 344 V CA 0.915 63.181 62.300 -0.056 0.000 1.081 344 V CB -0.388 31.347 31.823 -0.146 0.000 0.686 344 V HN 0.255 nan 8.190 nan 0.000 0.468 345 I N 1.001 121.584 120.570 0.022 0.000 2.315 345 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 345 I C 2.334 178.485 176.117 0.057 0.000 1.117 345 I CA 1.777 63.096 61.300 0.033 0.000 1.404 345 I CB -0.289 37.727 38.000 0.028 0.000 1.071 345 I HN 0.455 nan 8.210 nan 0.000 0.419 346 S N -0.141 115.620 115.700 0.101 0.000 2.720 346 S HA 0.164 4.633 4.470 -0.000 0.000 0.222 346 S C 1.338 176.055 174.600 0.195 0.000 0.958 346 S CA 0.150 58.432 58.200 0.136 0.000 0.943 346 S CB -0.448 62.829 63.200 0.128 0.000 0.779 346 S HN 0.404 nan 8.310 nan 0.000 0.526 347 I N 1.106 121.751 120.570 0.125 0.000 3.132 347 I HA 0.094 4.264 4.170 -0.000 0.000 0.255 347 I C 1.550 177.684 176.117 0.028 0.000 1.118 347 I CA 0.512 61.845 61.300 0.055 0.000 1.463 347 I CB -0.471 37.482 38.000 -0.078 0.000 1.356 347 I HN 0.347 nan 8.210 nan 0.000 0.463 348 T N -0.993 113.568 114.554 0.012 0.000 2.788 348 T HA 0.072 4.422 4.350 -0.000 0.000 0.287 348 T C 0.158 174.871 174.700 0.021 0.000 1.007 348 T CA -0.462 61.644 62.100 0.010 0.000 1.005 348 T CB 0.580 69.449 68.868 0.001 0.000 1.012 348 T HN 0.058 nan 8.240 nan 0.000 0.530 349 D N 1.286 121.697 120.400 0.018 0.000 3.085 349 D HA 0.415 5.055 4.640 -0.000 0.000 0.243 349 D C 1.147 177.458 176.300 0.019 0.000 1.232 349 D CA 0.690 54.701 54.000 0.019 0.000 0.913 349 D CB -0.827 39.982 40.800 0.015 0.000 1.108 349 D HN 1.066 nan 8.370 nan 0.000 0.468 350 G N 1.215 110.028 108.800 0.021 0.000 2.655 350 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.680 350 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.680 350 G C -0.880 174.037 174.900 0.028 0.000 1.302 350 G CA -0.901 44.213 45.100 0.024 0.000 0.872 350 G HN 0.299 nan 8.290 nan 0.000 0.540 351 Q N -1.062 118.761 119.800 0.039 0.000 2.495 351 Q HA 0.748 5.088 4.340 -0.000 0.000 0.287 351 Q C -1.053 174.990 176.000 0.072 0.000 1.078 351 Q CA -1.083 54.753 55.803 0.054 0.000 0.793 351 Q CB 2.132 30.914 28.738 0.074 0.000 1.459 351 Q HN 0.948 nan 8.270 nan 0.000 0.422 352 I N 1.856 122.470 120.570 0.074 0.000 2.359 352 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 352 I C -0.929 175.257 176.117 0.115 0.000 1.018 352 I CA -0.703 60.648 61.300 0.085 0.000 1.173 352 I CB 0.883 38.911 38.000 0.046 0.000 1.326 352 I HN 0.499 nan 8.210 nan 0.000 0.462 353 F N 7.867 127.821 119.950 0.007 0.000 2.404 353 F HA 0.496 5.022 4.527 -0.000 0.000 0.358 353 F C -0.674 175.133 175.800 0.012 0.000 1.120 353 F CA -0.355 57.648 58.000 0.005 0.000 1.144 353 F CB 0.583 39.587 39.000 0.007 0.000 1.133 353 F HN 0.243 nan 8.300 nan 0.000 0.495 354 L N 6.227 127.140 121.223 -0.518 0.000 2.265 354 L HA 0.354 4.694 4.340 -0.000 0.000 0.289 354 L C -0.253 176.310 176.870 -0.512 0.000 1.033 354 L CA -0.459 54.169 54.840 -0.353 0.000 0.814 354 L CB 1.420 43.339 42.059 -0.233 0.000 1.203 354 L HN 0.589 nan 8.230 nan 0.000 0.423 355 E N 1.713 121.795 120.200 -0.198 0.000 2.146 355 E HA 0.313 4.663 4.350 -0.000 0.000 0.282 355 E C 0.546 177.161 176.600 0.024 0.000 0.989 355 E CA -0.194 56.168 56.400 -0.064 0.000 0.799 355 E CB 1.750 31.545 29.700 0.158 0.000 1.088 355 E HN 0.740 nan 8.360 nan 0.000 0.397 356 A N 4.383 127.204 122.820 0.002 0.000 1.972 356 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 356 A C 1.890 179.588 177.584 0.190 0.000 1.169 356 A CA 1.545 53.625 52.037 0.073 0.000 0.635 356 A CB -0.303 18.703 19.000 0.010 0.000 0.810 356 A HN 0.853 nan 8.150 nan 0.000 0.446 357 E N 0.135 120.429 120.200 0.156 0.000 2.077 357 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 357 E C 1.836 178.562 176.600 0.210 0.000 0.989 357 E CA 1.310 57.821 56.400 0.184 0.000 0.800 357 E CB -0.210 29.571 29.700 0.136 0.000 0.746 357 E HN 0.649 nan 8.360 nan 0.000 0.452 358 L N -0.203 121.126 121.223 0.176 0.000 2.131 358 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 358 L C 2.488 179.450 176.870 0.154 0.000 1.087 358 L CA 0.641 55.565 54.840 0.141 0.000 0.767 358 L CB -0.411 41.723 42.059 0.124 0.000 0.917 358 L HN 0.158 nan 8.230 nan 0.000 0.441 359 F N -0.223 119.763 119.950 0.061 0.000 2.216 359 F HA -0.289 4.238 4.527 -0.000 0.000 0.300 359 F C 2.540 178.396 175.800 0.094 0.000 1.085 359 F CA 1.301 59.332 58.000 0.052 0.000 1.326 359 F CB -0.211 38.809 39.000 0.033 0.000 1.027 359 F HN 0.035 nan 8.300 nan 0.000 0.497 360 Y N 1.489 121.868 120.300 0.133 0.000 2.145 360 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 360 Y C 2.213 178.088 175.900 -0.042 0.000 1.145 360 Y CA 1.994 60.120 58.100 0.043 0.000 1.148 360 Y CB -0.728 37.781 38.460 0.082 0.000 0.981 360 Y HN -0.008 nan 8.280 nan 0.000 0.507 361 K N -0.834 119.458 120.400 -0.180 0.000 2.103 361 K HA -0.005 4.315 4.320 -0.000 0.000 0.207 361 K C 1.496 177.958 176.600 -0.230 0.000 1.048 361 K CA 1.335 57.464 56.287 -0.264 0.000 0.930 361 K CB -0.423 32.016 32.500 -0.101 0.000 0.716 361 K HN 0.585 nan 8.250 nan 0.000 0.444 362 G N 0.554 109.231 108.800 -0.205 0.000 2.227 362 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 362 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 362 G C 0.134 174.941 174.900 -0.154 0.000 1.006 362 G CA -0.477 44.481 45.100 -0.235 0.000 0.684 362 G HN 0.148 nan 8.290 nan 0.000 0.489 363 I N 2.573 123.097 120.570 -0.076 0.000 2.472 363 I HA 0.210 4.380 4.170 -0.000 0.000 0.305 363 I C 0.716 176.842 176.117 0.015 0.000 1.196 363 I CA 0.375 61.667 61.300 -0.012 0.000 1.613 363 I CB -0.305 37.715 38.000 0.032 0.000 1.501 363 I HN 0.068 nan 8.210 nan 0.000 0.754 364 R N 5.822 126.314 120.500 -0.013 0.000 2.494 364 R HA 0.490 4.830 4.340 -0.000 0.000 0.305 364 R C -2.602 173.723 176.300 0.042 0.000 0.959 364 R CA -2.018 54.107 56.100 0.042 0.000 0.864 364 R CB 1.059 31.340 30.300 -0.032 0.000 1.159 364 R HN 0.109 nan 8.270 nan 0.000 0.446 365 P HA -0.071 nan 4.420 nan 0.000 0.266 365 P C -0.468 176.898 177.300 0.109 0.000 1.193 365 P CA 0.195 63.353 63.100 0.097 0.000 0.770 365 P CB 0.652 32.389 31.700 0.063 0.000 0.836 366 A N 3.838 126.742 122.820 0.139 0.000 3.282 366 A HA 0.267 4.587 4.320 -0.000 0.000 0.287 366 A C 0.315 177.954 177.584 0.092 0.000 1.366 366 A CA -0.384 51.735 52.037 0.137 0.000 1.069 366 A CB -1.129 18.002 19.000 0.218 0.000 1.109 366 A HN 0.469 nan 8.150 nan 0.000 0.638 367 I N 1.392 122.016 120.570 0.090 0.000 2.436 367 I HA 0.011 4.181 4.170 -0.000 0.000 0.289 367 I C 0.550 176.748 176.117 0.134 0.000 1.083 367 I CA -0.305 61.055 61.300 0.101 0.000 1.372 367 I CB 0.511 38.563 38.000 0.087 0.000 1.408 367 I HN 0.371 nan 8.210 nan 0.000 0.516 368 N N 6.804 125.627 118.700 0.205 0.000 2.421 368 N HA 0.027 4.767 4.740 -0.000 0.000 0.260 368 N C 0.936 176.529 175.510 0.137 0.000 1.173 368 N CA -0.007 53.166 53.050 0.206 0.000 0.960 368 N CB 1.032 39.732 38.487 0.354 0.000 1.273 368 N HN 0.436 nan 8.380 nan 0.000 0.497 369 V N 3.326 123.296 119.914 0.095 0.000 2.255 369 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 369 V C 2.215 178.337 176.094 0.048 0.000 1.051 369 V CA 2.156 64.500 62.300 0.073 0.000 1.018 369 V CB -0.961 30.905 31.823 0.072 0.000 0.641 369 V HN 0.700 nan 8.190 nan 0.000 0.445 370 G N -1.520 107.294 108.800 0.024 0.000 3.094 370 G HA2 0.126 4.086 3.960 -0.000 0.000 0.208 370 G HA3 0.126 4.086 3.960 -0.000 0.000 0.208 370 G C 1.093 175.978 174.900 -0.026 0.000 1.189 370 G CA 0.292 45.390 45.100 -0.003 0.000 0.856 370 G HN 0.491 nan 8.290 nan 0.000 0.510 371 L N -0.791 120.422 121.223 -0.017 0.000 3.017 371 L HA 0.219 4.559 4.340 -0.000 0.000 0.265 371 L C 0.568 177.443 176.870 0.008 0.000 1.128 371 L CA 0.062 54.864 54.840 -0.064 0.000 0.984 371 L CB 0.645 42.578 42.059 -0.209 0.000 1.464 371 L HN -0.027 nan 8.230 nan 0.000 0.556 372 S N 0.467 116.204 115.700 0.063 0.000 2.499 372 S HA 0.453 4.923 4.470 -0.000 0.000 0.275 372 S C -0.401 174.227 174.600 0.047 0.000 1.257 372 S CA -0.204 58.042 58.200 0.077 0.000 1.050 372 S CB 2.143 65.400 63.200 0.094 0.000 0.937 372 S HN 0.019 nan 8.310 nan 0.000 0.490 373 V N 2.303 122.241 119.914 0.040 0.000 3.007 373 V HA 0.744 4.864 4.120 -0.000 0.000 0.311 373 V C -0.782 175.329 176.094 0.029 0.000 1.120 373 V CA -0.550 61.768 62.300 0.030 0.000 0.980 373 V CB 2.595 34.431 31.823 0.021 0.000 1.033 373 V HN 0.776 nan 8.190 nan 0.000 0.429 374 S N 4.330 120.044 115.700 0.024 0.000 2.252 374 S HA 0.414 4.884 4.470 -0.000 0.000 0.187 374 S C 1.002 175.612 174.600 0.017 0.000 1.587 374 S CA -0.524 57.687 58.200 0.019 0.000 1.215 374 S CB 0.199 63.409 63.200 0.016 0.000 1.085 374 S HN 0.779 nan 8.310 nan 0.000 0.466 375 R N 1.216 121.726 120.500 0.017 0.000 2.174 375 R HA -0.146 4.194 4.340 -0.000 0.000 0.253 375 R C 1.438 177.747 176.300 0.015 0.000 1.165 375 R CA 2.149 58.259 56.100 0.017 0.000 0.984 375 R CB -0.288 30.023 30.300 0.018 0.000 0.873 375 R HN 0.590 nan 8.270 nan 0.000 0.456 376 V N -5.520 114.401 119.914 0.013 0.000 3.329 376 V HA 0.397 4.517 4.120 -0.000 0.000 0.317 376 V C 1.066 177.164 176.094 0.007 0.000 1.495 376 V CA 0.356 62.663 62.300 0.012 0.000 1.105 376 V CB 0.855 32.686 31.823 0.013 0.000 0.985 376 V HN 0.158 nan 8.190 nan 0.000 0.475 377 G N 0.471 109.274 108.800 0.005 0.000 2.920 377 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.208 377 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.208 377 G C 1.280 176.181 174.900 0.002 0.000 1.159 377 G CA 1.007 46.106 45.100 -0.002 0.000 0.784 377 G HN 0.473 nan 8.290 nan 0.000 0.535 378 S N 0.872 116.577 115.700 0.009 0.000 2.368 378 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 378 S C 2.811 177.418 174.600 0.012 0.000 1.029 378 S CA 1.050 59.257 58.200 0.012 0.000 0.988 378 S CB -0.211 62.998 63.200 0.015 0.000 0.838 378 S HN 0.536 nan 8.310 nan 0.000 0.462 379 A N 1.224 124.052 122.820 0.014 0.000 1.933 379 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 379 A C 2.093 179.692 177.584 0.025 0.000 1.175 379 A CA 1.678 53.728 52.037 0.022 0.000 0.628 379 A CB -0.748 18.270 19.000 0.030 0.000 0.814 379 A HN 0.519 nan 8.150 nan 0.000 0.444 380 A N -1.273 121.551 122.820 0.007 0.000 2.251 380 A HA 0.204 4.524 4.320 -0.000 0.000 0.209 380 A C 1.050 178.616 177.584 -0.031 0.000 1.187 380 A CA 0.076 52.101 52.037 -0.019 0.000 0.823 380 A CB -0.293 18.671 19.000 -0.060 0.000 0.846 380 A HN 0.611 nan 8.150 nan 0.000 0.486 381 Q N 0.774 120.567 119.800 -0.012 0.000 2.296 381 Q HA 0.345 4.685 4.340 -0.000 0.000 0.262 381 Q C -0.729 175.268 176.000 -0.005 0.000 0.981 381 Q CA -0.326 55.472 55.803 -0.009 0.000 0.905 381 Q CB 0.851 29.592 28.738 0.004 0.000 1.186 381 Q HN 0.186 nan 8.270 nan 0.000 0.399 382 V N 6.086 125.995 119.914 -0.009 0.000 2.539 382 V HA -0.144 3.976 4.120 -0.000 0.000 0.300 382 V C 1.255 177.355 176.094 0.009 0.000 1.019 382 V CA 0.785 63.084 62.300 -0.002 0.000 1.160 382 V CB 0.296 32.121 31.823 0.003 0.000 0.901 382 V HN 0.894 nan 8.190 nan 0.000 0.481 383 K N 4.004 124.410 120.400 0.010 0.000 2.211 383 K HA -0.203 4.117 4.320 -0.000 0.000 0.204 383 K C 2.150 178.760 176.600 0.017 0.000 1.047 383 K CA 1.376 57.671 56.287 0.013 0.000 0.935 383 K CB -0.153 32.353 32.500 0.011 0.000 0.728 383 K HN 0.839 nan 8.250 nan 0.000 0.452 384 A N 1.527 124.355 122.820 0.014 0.000 1.883 384 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 384 A C 2.107 179.708 177.584 0.029 0.000 1.186 384 A CA 1.280 53.326 52.037 0.014 0.000 0.624 384 A CB -0.536 18.468 19.000 0.006 0.000 0.822 384 A HN 0.170 nan 8.150 nan 0.000 0.444 385 L N -1.026 120.216 121.223 0.032 0.000 2.007 385 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 385 L C 2.629 179.524 176.870 0.042 0.000 1.073 385 L CA 1.863 56.728 54.840 0.042 0.000 0.744 385 L CB -0.444 41.638 42.059 0.038 0.000 0.898 385 L HN 0.460 nan 8.230 nan 0.000 0.435 386 K N -0.253 120.166 120.400 0.032 0.000 2.144 386 K HA -0.304 4.015 4.320 -0.000 0.000 0.209 386 K C 2.052 178.673 176.600 0.035 0.000 1.047 386 K CA 1.881 58.186 56.287 0.030 0.000 0.927 386 K CB 0.014 32.528 32.500 0.023 0.000 0.716 386 K HN 0.378 nan 8.250 nan 0.000 0.454 387 Q N -0.407 119.416 119.800 0.039 0.000 2.008 387 Q HA -0.101 4.239 4.340 -0.000 0.000 0.196 387 Q C 2.095 178.133 176.000 0.063 0.000 0.973 387 Q CA 1.646 57.477 55.803 0.046 0.000 0.826 387 Q CB 0.062 28.827 28.738 0.045 0.000 0.894 387 Q HN 0.382 nan 8.270 nan 0.000 0.439 388 V N -2.252 117.713 119.914 0.085 0.000 2.913 388 V HA 0.052 4.172 4.120 -0.000 0.000 0.260 388 V C 1.505 177.638 176.094 0.064 0.000 1.098 388 V CA 1.521 63.890 62.300 0.115 0.000 1.121 388 V CB -0.580 31.351 31.823 0.179 0.000 0.714 388 V HN 0.259 nan 8.190 nan 0.000 0.487 389 A N 0.356 123.207 122.820 0.052 0.000 2.430 389 A HA 0.548 4.868 4.320 -0.000 0.000 0.243 389 A C 2.056 179.663 177.584 0.038 0.000 1.254 389 A CA 0.565 52.628 52.037 0.044 0.000 0.914 389 A CB -0.530 18.500 19.000 0.050 0.000 0.998 389 A HN 0.602 nan 8.150 nan 0.000 0.515 390 G N 0.398 109.217 108.800 0.031 0.000 2.547 390 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 390 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 390 G C 1.532 176.452 174.900 0.033 0.000 1.140 390 G CA 1.719 46.836 45.100 0.028 0.000 0.760 390 G HN 0.515 nan 8.290 nan 0.000 0.583 391 S N -0.465 115.250 115.700 0.025 0.000 2.497 391 S HA 0.158 4.628 4.470 -0.000 0.000 0.218 391 S C 1.889 176.551 174.600 0.103 0.000 1.023 391 S CA 0.096 58.323 58.200 0.045 0.000 0.913 391 S CB 0.130 63.323 63.200 -0.011 0.000 0.800 391 S HN 0.214 nan 8.310 nan 0.000 0.505 392 L N 3.151 124.422 121.223 0.080 0.000 1.991 392 L HA -0.214 4.126 4.340 -0.000 0.000 0.221 392 L C 2.241 179.207 176.870 0.160 0.000 1.079 392 L CA 2.050 56.965 54.840 0.125 0.000 0.778 392 L CB -0.552 41.555 42.059 0.079 0.000 0.893 392 L HN 0.210 nan 8.230 nan 0.000 0.437 393 K N -0.760 119.707 120.400 0.110 0.000 2.001 393 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 393 K C 2.044 178.707 176.600 0.104 0.000 1.050 393 K CA 2.374 58.717 56.287 0.095 0.000 0.934 393 K CB -0.354 32.187 32.500 0.068 0.000 0.718 393 K HN 0.480 nan 8.250 nan 0.000 0.443 394 L N -0.179 121.112 121.223 0.112 0.000 2.201 394 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 394 L C 2.405 179.363 176.870 0.147 0.000 1.105 394 L CA 0.671 55.575 54.840 0.106 0.000 0.775 394 L CB -0.481 41.634 42.059 0.094 0.000 0.913 394 L HN 0.172 nan 8.230 nan 0.000 0.440 395 F N 0.604 120.577 119.950 0.039 0.000 2.118 395 F HA -0.040 4.487 4.527 -0.000 0.000 0.293 395 F C 2.142 177.998 175.800 0.094 0.000 1.102 395 F CA 1.202 59.232 58.000 0.050 0.000 1.247 395 F CB -0.117 38.899 39.000 0.027 0.000 1.017 395 F HN -0.186 nan 8.300 nan 0.000 0.475 396 L N 0.187 121.445 121.223 0.058 0.000 2.017 396 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 396 L C 2.678 179.552 176.870 0.008 0.000 1.073 396 L CA 1.290 56.149 54.840 0.032 0.000 0.745 396 L CB -0.998 41.151 42.059 0.149 0.000 0.894 396 L HN 0.256 nan 8.230 nan 0.000 0.432 397 A N -1.314 121.512 122.820 0.009 0.000 2.178 397 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 397 A C 2.025 179.571 177.584 -0.065 0.000 1.157 397 A CA 1.255 53.283 52.037 -0.016 0.000 0.689 397 A CB -0.226 18.777 19.000 0.006 0.000 0.787 397 A HN 0.540 nan 8.150 nan 0.000 0.465 398 Q N -2.630 117.110 119.800 -0.100 0.000 2.217 398 Q HA 0.064 4.404 4.340 -0.000 0.000 0.217 398 Q C 1.365 177.236 176.000 -0.215 0.000 0.844 398 Q CA 0.037 55.761 55.803 -0.131 0.000 0.957 398 Q CB 0.170 28.861 28.738 -0.078 0.000 1.127 398 Q HN 0.860 nan 8.270 nan 0.000 0.503 399 Y N 1.240 121.271 120.300 -0.448 0.000 2.200 399 Y HA -0.068 4.482 4.550 -0.000 0.000 0.290 399 Y C 1.885 177.653 175.900 -0.220 0.000 1.137 399 Y CA 1.402 59.227 58.100 -0.459 0.000 1.163 399 Y CB -0.030 38.095 38.460 -0.558 0.000 0.988 399 Y HN -0.159 nan 8.280 nan 0.000 0.518 400 R N 0.560 120.729 120.500 -0.552 0.000 2.328 400 R HA -0.090 4.250 4.340 -0.000 0.000 0.207 400 R C 1.788 177.908 176.300 -0.300 0.000 1.056 400 R CA 0.905 56.688 56.100 -0.529 0.000 1.016 400 R CB -0.021 30.097 30.300 -0.303 0.000 0.872 400 R HN 0.566 nan 8.270 nan 0.000 0.471 401 E N -0.655 119.409 120.200 -0.226 0.000 2.086 401 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 401 E C 1.839 178.364 176.600 -0.126 0.000 0.975 401 E CA 0.847 57.161 56.400 -0.142 0.000 0.813 401 E CB 0.250 29.890 29.700 -0.099 0.000 0.768 401 E HN 0.113 nan 8.360 nan 0.000 0.457 402 V N 1.430 121.266 119.914 -0.130 0.000 2.379 402 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 402 V C 2.276 178.309 176.094 -0.101 0.000 1.044 402 V CA 1.632 63.885 62.300 -0.080 0.000 1.036 402 V CB -0.436 31.372 31.823 -0.025 0.000 0.664 402 V HN 0.237 nan 8.190 nan 0.000 0.453 403 A N -0.263 122.434 122.820 -0.204 0.000 2.178 403 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 403 A C 2.287 179.770 177.584 -0.168 0.000 1.157 403 A CA 1.668 53.571 52.037 -0.223 0.000 0.689 403 A CB -0.449 18.241 19.000 -0.516 0.000 0.787 403 A HN 0.547 nan 8.150 nan 0.000 0.465 404 A N -0.917 121.810 122.820 -0.155 0.000 1.874 404 A HA 0.241 4.561 4.320 -0.000 0.000 0.214 404 A C 1.627 179.172 177.584 -0.065 0.000 1.189 404 A CA 1.338 53.314 52.037 -0.102 0.000 0.615 404 A CB -0.270 18.672 19.000 -0.097 0.000 0.830 404 A HN 0.407 nan 8.150 nan 0.000 0.443 413 D N 1.253 121.659 120.400 0.011 0.000 2.351 413 D HA 0.506 5.146 4.640 -0.000 0.000 0.251 413 D C 1.168 177.476 176.300 0.013 0.000 1.137 413 D CA 0.766 54.772 54.000 0.011 0.000 0.879 413 D CB 1.970 42.777 40.800 0.013 0.000 1.181 413 D HN 0.500 nan 8.370 nan 0.000 0.448 414 A N 2.999 125.825 122.820 0.009 0.000 1.873 414 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 414 A C 2.162 179.753 177.584 0.012 0.000 1.193 414 A CA 2.101 54.143 52.037 0.008 0.000 0.629 414 A CB -0.881 18.121 19.000 0.004 0.000 0.826 414 A HN 0.557 nan 8.150 nan 0.000 0.447 415 S N -0.991 114.719 115.700 0.015 0.000 2.371 415 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 415 S C 2.049 176.671 174.600 0.036 0.000 1.029 415 S CA 2.040 60.253 58.200 0.021 0.000 0.978 415 S CB -0.635 62.577 63.200 0.021 0.000 0.833 415 S HN 0.831 nan 8.310 nan 0.000 0.466 416 T N -1.299 113.277 114.554 0.038 0.000 3.160 416 T HA 0.205 4.555 4.350 -0.000 0.000 0.257 416 T C 1.419 176.150 174.700 0.053 0.000 1.147 416 T CA 0.582 62.713 62.100 0.051 0.000 1.064 416 T CB -0.155 68.737 68.868 0.041 0.000 0.949 416 T HN 0.372 nan 8.240 nan 0.000 0.526 417 K N 0.158 120.582 120.400 0.039 0.000 2.243 417 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 417 K C 2.417 179.038 176.600 0.036 0.000 1.051 417 K CA 0.579 56.886 56.287 0.035 0.000 0.970 417 K CB 0.008 32.519 32.500 0.019 0.000 0.755 417 K HN 0.289 nan 8.250 nan 0.000 0.465 418 Q N 0.643 120.463 119.800 0.034 0.000 2.020 418 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 418 Q C 1.855 177.890 176.000 0.059 0.000 0.974 418 Q CA 2.710 58.529 55.803 0.027 0.000 0.829 418 Q CB -0.767 27.978 28.738 0.013 0.000 0.894 418 Q HN 0.365 nan 8.270 nan 0.000 0.433 419 T N -0.955 113.667 114.554 0.113 0.000 2.759 419 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 419 T C 1.765 176.576 174.700 0.186 0.000 1.042 419 T CA 1.415 63.655 62.100 0.233 0.000 1.140 419 T CB -0.505 68.523 68.868 0.267 0.000 0.864 419 T HN 0.242 nan 8.240 nan 0.000 0.455 420 L N 0.552 121.855 121.223 0.133 0.000 2.156 420 L HA 0.162 4.501 4.340 -0.000 0.000 0.208 420 L C 2.686 179.579 176.870 0.039 0.000 1.095 420 L CA 0.939 55.867 54.840 0.147 0.000 0.770 420 L CB -0.340 41.803 42.059 0.139 0.000 0.914 420 L HN 0.166 nan 8.230 nan 0.000 0.439 421 V N -0.758 119.165 119.914 0.015 0.000 2.453 421 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 421 V C 2.711 178.763 176.094 -0.070 0.000 1.048 421 V CA 1.324 63.609 62.300 -0.025 0.000 1.049 421 V CB -0.578 31.232 31.823 -0.022 0.000 0.672 421 V HN 0.389 nan 8.190 nan 0.000 0.457 422 R N 0.146 120.612 120.500 -0.056 0.000 2.066 422 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 422 R C 2.440 178.639 176.300 -0.168 0.000 1.131 422 R CA 1.494 57.551 56.100 -0.072 0.000 0.955 422 R CB -1.063 29.238 30.300 0.002 0.000 0.851 422 R HN 0.567 nan 8.270 nan 0.000 0.432 423 G N 1.210 109.760 108.800 -0.415 0.000 2.491 423 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 423 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 423 G C 1.243 175.717 174.900 -0.709 0.000 1.180 423 G CA 0.915 45.288 45.100 -1.212 0.000 0.774 423 G HN 0.387 nan 8.290 nan 0.000 0.562 424 E N -0.024 119.952 120.200 -0.374 0.000 2.085 424 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 424 E C 2.861 179.407 176.600 -0.091 0.000 0.994 424 E CA 0.724 57.064 56.400 -0.100 0.000 0.801 424 E CB -0.022 29.665 29.700 -0.022 0.000 0.743 424 E HN 0.184 nan 8.360 nan 0.000 0.453 425 R N 0.479 120.908 120.500 -0.118 0.000 2.073 425 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 425 R C 2.449 178.697 176.300 -0.087 0.000 1.134 425 R CA 0.944 56.980 56.100 -0.106 0.000 0.952 425 R CB -0.880 29.344 30.300 -0.126 0.000 0.850 425 R HN 0.266 nan 8.270 nan 0.000 0.433 426 L N 0.394 121.561 121.223 -0.093 0.000 2.141 426 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 426 L C 2.274 179.139 176.870 -0.008 0.000 1.094 426 L CA 1.303 56.117 54.840 -0.043 0.000 0.763 426 L CB -0.503 41.549 42.059 -0.011 0.000 0.908 426 L HN 0.192 nan 8.230 nan 0.000 0.437 427 T N -1.486 113.060 114.554 -0.014 0.000 2.777 427 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 427 T C 1.850 176.569 174.700 0.033 0.000 1.040 427 T CA 0.869 62.996 62.100 0.046 0.000 1.141 427 T CB -0.089 68.844 68.868 0.108 0.000 0.868 427 T HN 0.237 nan 8.240 nan 0.000 0.444 428 Q N 0.222 120.027 119.800 0.009 0.000 2.364 428 Q HA 0.083 4.423 4.340 -0.000 0.000 0.207 428 Q C 1.798 177.806 176.000 0.014 0.000 0.970 428 Q CA 0.666 56.473 55.803 0.007 0.000 0.888 428 Q CB -0.214 28.518 28.738 -0.010 0.000 0.951 428 Q HN 0.366 nan 8.270 nan 0.000 0.469 429 L N -0.442 120.789 121.223 0.013 0.000 2.607 429 L HA 0.105 4.445 4.340 -0.000 0.000 0.228 429 L C 1.359 178.256 176.870 0.046 0.000 1.123 429 L CA 0.505 55.362 54.840 0.029 0.000 0.890 429 L CB 0.307 42.374 42.059 0.013 0.000 1.103 429 L HN 0.063 nan 8.230 nan 0.000 0.468 430 L N -1.325 119.925 121.223 0.045 0.000 2.616 430 L HA 0.160 4.500 4.340 -0.000 0.000 0.229 430 L C 0.737 177.636 176.870 0.048 0.000 1.110 430 L CA -0.136 54.735 54.840 0.052 0.000 0.884 430 L CB -0.080 42.014 42.059 0.059 0.000 1.115 430 L HN -0.004 nan 8.230 nan 0.000 0.481 431 K N 1.810 122.234 120.400 0.041 0.000 2.448 431 K HA 0.140 4.460 4.320 -0.000 0.000 0.278 431 K C -0.233 176.387 176.600 0.033 0.000 1.009 431 K CA 0.565 56.870 56.287 0.031 0.000 0.995 431 K CB 0.626 33.138 32.500 0.020 0.000 0.917 431 K HN 0.054 nan 8.250 nan 0.000 0.481 432 Q N 2.186 122.002 119.800 0.025 0.000 2.309 432 Q HA 0.192 4.532 4.340 -0.000 0.000 0.273 432 Q C -1.330 174.674 176.000 0.007 0.000 1.040 432 Q CA -0.872 54.946 55.803 0.025 0.000 0.834 432 Q CB 1.556 30.313 28.738 0.031 0.000 1.345 432 Q HN 0.491 nan 8.270 nan 0.000 0.414 433 N N 2.016 120.722 118.700 0.010 0.000 2.453 433 N HA 0.035 4.775 4.740 -0.000 0.000 0.253 433 N C -0.565 174.924 175.510 -0.036 0.000 1.252 433 N CA 0.065 53.112 53.050 -0.005 0.000 0.917 433 N CB 0.668 39.169 38.487 0.024 0.000 1.117 433 N HN 0.519 nan 8.380 nan 0.000 0.442 434 Q N 0.400 120.126 119.800 -0.122 0.000 2.443 434 Q HA 0.025 4.365 4.340 -0.000 0.000 0.232 434 Q C -0.271 175.594 176.000 -0.224 0.000 1.026 434 Q CA -0.169 55.447 55.803 -0.312 0.000 0.924 434 Q CB 0.305 28.659 28.738 -0.640 0.000 1.256 434 Q HN 0.616 nan 8.270 nan 0.000 0.519 435 Y N -1.297 119.043 120.300 0.066 0.000 4.538 435 Y HA -0.259 4.291 4.550 -0.000 0.000 0.225 435 Y C -0.197 175.783 175.900 0.135 0.000 1.074 435 Y CA 0.851 59.020 58.100 0.116 0.000 1.942 435 Y CB -2.185 36.374 38.460 0.165 0.000 1.618 435 Y HN 0.293 nan 8.280 nan 0.000 0.642 436 S N -0.053 115.747 115.700 0.166 0.000 2.204 436 S HA 0.441 4.911 4.470 -0.000 0.000 0.147 436 S C -2.305 172.342 174.600 0.078 0.000 1.711 436 S CA -0.990 57.279 58.200 0.116 0.000 1.274 436 S CB 1.533 64.788 63.200 0.093 0.000 1.257 436 S HN -0.032 nan 8.310 nan 0.000 0.404 437 P HA 0.499 nan 4.420 nan 0.000 0.275 437 P C -0.829 176.497 177.300 0.044 0.000 1.266 437 P CA -0.565 62.574 63.100 0.065 0.000 0.793 437 P CB 0.607 32.353 31.700 0.078 0.000 1.074 438 L N -0.597 120.652 121.223 0.043 0.000 2.409 438 L HA 0.692 5.032 4.340 -0.000 0.000 0.262 438 L C 0.008 176.896 176.870 0.031 0.000 0.992 438 L CA -1.302 53.554 54.840 0.026 0.000 0.817 438 L CB 1.919 43.999 42.059 0.035 0.000 1.350 438 L HN 0.305 nan 8.230 nan 0.000 0.411 439 A N 0.630 123.453 122.820 0.004 0.000 2.332 439 A HA 0.373 4.693 4.320 -0.000 0.000 0.258 439 A C 1.150 178.761 177.584 0.044 0.000 1.087 439 A CA 0.013 52.060 52.037 0.017 0.000 0.802 439 A CB 0.533 19.507 19.000 -0.043 0.000 1.042 439 A HN 0.850 nan 8.150 nan 0.000 0.489 440 T N 0.678 115.280 114.554 0.080 0.000 2.737 440 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 440 T C 1.596 176.317 174.700 0.035 0.000 1.040 440 T CA 1.967 64.107 62.100 0.066 0.000 1.142 440 T CB -0.262 68.654 68.868 0.081 0.000 0.861 440 T HN 0.854 nan 8.240 nan 0.000 0.456 441 E N 1.078 121.288 120.200 0.017 0.000 2.515 441 E HA -0.107 4.243 4.350 -0.000 0.000 0.201 441 E C 1.061 177.646 176.600 -0.025 0.000 1.071 441 E CA 0.849 57.242 56.400 -0.013 0.000 0.880 441 E CB -0.132 29.550 29.700 -0.029 0.000 0.828 441 E HN 0.601 nan 8.360 nan 0.000 0.540 442 E N 0.053 120.250 120.200 -0.005 0.000 2.485 442 E HA 0.079 4.429 4.350 -0.000 0.000 0.213 442 E C 1.775 178.401 176.600 0.044 0.000 0.923 442 E CA -0.077 56.323 56.400 -0.000 0.000 1.054 442 E CB 0.360 30.055 29.700 -0.008 0.000 1.077 442 E HN 0.206 nan 8.360 nan 0.000 0.509 443 Q N 0.571 120.401 119.800 0.050 0.000 2.096 443 Q HA -0.084 4.256 4.340 -0.000 0.000 0.197 443 Q C 2.528 178.576 176.000 0.081 0.000 0.964 443 Q CA 1.588 57.432 55.803 0.068 0.000 0.838 443 Q CB 0.152 28.927 28.738 0.062 0.000 0.906 443 Q HN 0.241 nan 8.270 nan 0.000 0.444 444 V N -1.484 118.469 119.914 0.064 0.000 2.427 444 V HA -0.054 4.065 4.120 -0.000 0.000 0.248 444 V C -1.001 175.157 176.094 0.107 0.000 1.051 444 V CA 0.903 63.245 62.300 0.071 0.000 1.048 444 V CB -1.849 29.992 31.823 0.031 0.000 0.666 444 V HN 0.128 nan 8.190 nan 0.000 0.456 445 P HA -0.051 nan 4.420 nan 0.000 0.216 445 P C 2.060 179.565 177.300 0.341 0.000 1.153 445 P CA 1.536 64.745 63.100 0.182 0.000 0.848 445 P CB -0.084 31.680 31.700 0.107 0.000 0.787 446 L N -1.478 119.918 121.223 0.288 0.000 2.005 446 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 446 L C 2.513 179.492 176.870 0.182 0.000 1.072 446 L CA 1.324 56.335 54.840 0.284 0.000 0.744 446 L CB -0.846 41.353 42.059 0.234 0.000 0.895 446 L HN -0.128 nan 8.230 nan 0.000 0.433 447 I N -1.318 119.341 120.570 0.149 0.000 2.226 447 I HA -0.363 3.807 4.170 -0.000 0.000 0.245 447 I C 2.560 178.734 176.117 0.095 0.000 1.100 447 I CA 1.434 62.795 61.300 0.101 0.000 1.374 447 I CB -0.320 37.735 38.000 0.091 0.000 1.057 447 I HN 0.192 nan 8.210 nan 0.000 0.413 448 Y N 1.668 121.974 120.300 0.010 0.000 2.069 448 Y HA -0.408 4.142 4.550 -0.000 0.000 0.278 448 Y C 2.502 178.351 175.900 -0.086 0.000 1.175 448 Y CA 1.887 59.969 58.100 -0.030 0.000 1.134 448 Y CB -0.493 37.959 38.460 -0.014 0.000 0.965 448 Y HN 0.167 nan 8.280 nan 0.000 0.498 449 A N -0.212 122.627 122.820 0.032 0.000 1.972 449 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 449 A C 2.446 179.953 177.584 -0.129 0.000 1.169 449 A CA 1.674 53.642 52.037 -0.115 0.000 0.635 449 A CB -1.629 17.374 19.000 0.005 0.000 0.810 449 A HN 0.623 nan 8.150 nan 0.000 0.446 450 G N -0.390 108.359 108.800 -0.086 0.000 2.464 450 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.214 450 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.214 450 G C 1.497 176.319 174.900 -0.130 0.000 1.218 450 G CA 1.269 46.311 45.100 -0.098 0.000 0.794 450 G HN 0.326 nan 8.290 nan 0.000 0.542 451 V N 1.940 121.768 119.914 -0.143 0.000 2.332 451 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 451 V C 2.317 178.275 176.094 -0.227 0.000 1.055 451 V CA 1.868 64.057 62.300 -0.185 0.000 1.038 451 V CB -0.509 31.224 31.823 -0.149 0.000 0.651 451 V HN 0.319 nan 8.190 nan 0.000 0.450 452 N N 0.204 118.750 118.700 -0.257 0.000 2.467 452 N HA 0.127 4.867 4.740 -0.000 0.000 0.184 452 N C 1.339 176.829 175.510 -0.034 0.000 1.106 452 N CA 1.054 53.977 53.050 -0.211 0.000 0.892 452 N CB 0.598 38.850 38.487 -0.392 0.000 0.969 452 N HN 0.635 nan 8.380 nan 0.000 0.454 453 G N 0.697 109.485 108.800 -0.020 0.000 2.356 453 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.233 453 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.233 453 G C -0.035 174.873 174.900 0.014 0.000 1.105 453 G CA -0.183 44.900 45.100 -0.028 0.000 0.861 453 G HN 0.415 nan 8.290 nan 0.000 0.493 454 H N -0.750 118.219 119.070 -0.170 0.000 2.740 454 H HA 0.377 4.933 4.556 -0.000 0.000 0.265 454 H C 2.402 177.602 175.328 -0.214 0.000 0.978 454 H CA 0.387 56.345 56.048 -0.150 0.000 1.198 454 H CB 0.342 30.039 29.762 -0.108 0.000 1.467 454 H HN 0.422 nan 8.280 nan 0.000 0.511 455 L N 0.174 121.300 121.223 -0.162 0.000 2.611 455 L HA 0.065 4.405 4.340 -0.000 0.000 0.229 455 L C 0.736 177.472 176.870 -0.224 0.000 1.137 455 L CA 0.182 54.828 54.840 -0.324 0.000 0.901 455 L CB 0.330 42.166 42.059 -0.371 0.000 1.098 455 L HN 0.072 nan 8.230 nan 0.000 0.456 456 D N 0.186 120.490 120.400 -0.161 0.000 2.317 456 D HA -0.064 4.576 4.640 -0.000 0.000 0.211 456 D C 2.022 178.253 176.300 -0.114 0.000 0.966 456 D CA 0.971 54.894 54.000 -0.128 0.000 0.876 456 D CB 0.235 40.967 40.800 -0.114 0.000 0.927 456 D HN 0.282 nan 8.370 nan 0.000 0.519 457 G N -0.132 108.594 108.800 -0.123 0.000 2.576 457 G HA2 0.060 4.020 3.960 -0.000 0.000 0.210 457 G HA3 0.060 4.020 3.960 -0.000 0.000 0.210 457 G C 0.570 175.414 174.900 -0.092 0.000 1.143 457 G CA -0.268 44.773 45.100 -0.099 0.000 0.819 457 G HN 0.107 nan 8.290 nan 0.000 0.534 458 I N 2.187 122.686 120.570 -0.117 0.000 2.775 458 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 458 I C 0.543 176.611 176.117 -0.082 0.000 1.203 458 I CA -0.054 61.186 61.300 -0.101 0.000 1.433 458 I CB 0.520 38.422 38.000 -0.162 0.000 1.354 458 I HN 0.184 nan 8.210 nan 0.000 0.579 459 E N 3.716 123.887 120.200 -0.048 0.000 2.422 459 E HA -0.046 4.304 4.350 -0.000 0.000 0.260 459 E C 0.847 177.426 176.600 -0.034 0.000 1.108 459 E CA -0.401 55.978 56.400 -0.035 0.000 0.943 459 E CB 0.518 30.206 29.700 -0.019 0.000 0.961 459 E HN 0.439 nan 8.360 nan 0.000 0.443 460 L N 2.171 123.377 121.223 -0.029 0.000 2.027 460 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 460 L C 2.203 179.066 176.870 -0.013 0.000 1.074 460 L CA 2.130 56.954 54.840 -0.027 0.000 0.745 460 L CB -0.448 41.599 42.059 -0.021 0.000 0.898 460 L HN 0.646 nan 8.230 nan 0.000 0.433 461 S N -1.359 114.338 115.700 -0.004 0.000 2.561 461 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 461 S C 1.743 176.357 174.600 0.023 0.000 0.977 461 S CA 0.165 58.368 58.200 0.005 0.000 0.926 461 S CB -0.417 62.785 63.200 0.002 0.000 0.769 461 S HN 0.449 nan 8.310 nan 0.000 0.533 462 R N 0.204 120.721 120.500 0.028 0.000 2.317 462 R HA 0.327 4.667 4.340 -0.000 0.000 0.208 462 R C 1.216 177.577 176.300 0.102 0.000 0.914 462 R CA -0.128 56.010 56.100 0.063 0.000 1.060 462 R CB -0.210 30.124 30.300 0.058 0.000 1.015 462 R HN 0.374 nan 8.270 nan 0.000 0.498 463 I N 0.858 121.459 120.570 0.053 0.000 2.286 463 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 463 I C 2.280 178.477 176.117 0.134 0.000 1.115 463 I CA 1.645 62.969 61.300 0.040 0.000 1.392 463 I CB -1.141 36.841 38.000 -0.030 0.000 1.065 463 I HN 0.217 nan 8.210 nan 0.000 0.418 464 G N 0.163 109.030 108.800 0.113 0.000 2.394 464 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 464 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 464 G C 1.512 176.510 174.900 0.163 0.000 1.165 464 G CA 0.505 45.680 45.100 0.125 0.000 0.784 464 G HN 0.516 nan 8.290 nan 0.000 0.535 465 E N -0.364 119.930 120.200 0.157 0.000 2.418 465 E HA -0.080 4.270 4.350 -0.000 0.000 0.197 465 E C 1.844 178.583 176.600 0.231 0.000 1.026 465 E CA 0.183 56.677 56.400 0.156 0.000 0.862 465 E CB -0.215 29.555 29.700 0.116 0.000 0.799 465 E HN 0.402 nan 8.360 nan 0.000 0.518 466 F N 2.149 122.182 119.950 0.138 0.000 2.163 466 F HA -0.059 4.468 4.527 -0.000 0.000 0.297 466 F C 2.240 178.187 175.800 0.245 0.000 1.094 466 F CA 1.649 59.783 58.000 0.223 0.000 1.290 466 F CB -0.168 38.918 39.000 0.143 0.000 1.017 466 F HN 0.008 nan 8.300 nan 0.000 0.483 467 E N 0.143 120.633 120.200 0.483 0.000 2.058 467 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 467 E C 2.191 178.912 176.600 0.201 0.000 0.997 467 E CA 1.974 58.598 56.400 0.373 0.000 0.801 467 E CB -0.253 29.606 29.700 0.264 0.000 0.746 467 E HN 0.524 nan 8.360 nan 0.000 0.450 468 S N -0.454 115.326 115.700 0.132 0.000 2.414 468 S HA 0.004 4.474 4.470 -0.000 0.000 0.227 468 S C 2.201 176.803 174.600 0.003 0.000 1.022 468 S CA 0.938 59.174 58.200 0.059 0.000 0.958 468 S CB 0.093 63.326 63.200 0.056 0.000 0.797 468 S HN 0.064 nan 8.310 nan 0.000 0.493 469 S N 1.196 116.897 115.700 0.000 0.000 2.387 469 S HA 0.126 4.596 4.470 -0.000 0.000 0.226 469 S C 1.319 175.696 174.600 -0.373 0.000 1.026 469 S CA 0.836 58.979 58.200 -0.096 0.000 0.972 469 S CB -0.523 62.719 63.200 0.070 0.000 0.814 469 S HN 0.566 nan 8.310 nan 0.000 0.477 470 F N 2.422 121.997 119.950 -0.624 0.000 2.146 470 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 470 F C 1.686 177.297 175.800 -0.314 0.000 1.096 470 F CA 0.982 58.535 58.000 -0.745 0.000 1.275 470 F CB -0.587 38.121 39.000 -0.488 0.000 1.008 470 F HN 0.099 nan 8.300 nan 0.000 0.480 471 L N -1.000 120.057 121.223 -0.276 0.000 2.093 471 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 471 L C 2.586 179.312 176.870 -0.240 0.000 1.085 471 L CA 1.242 55.906 54.840 -0.294 0.000 0.755 471 L CB -0.959 41.016 42.059 -0.141 0.000 0.904 471 L HN 0.022 nan 8.230 nan 0.000 0.435 472 S N -0.840 114.758 115.700 -0.170 0.000 2.353 472 S HA -0.274 4.196 4.470 -0.000 0.000 0.222 472 S C 1.927 176.455 174.600 -0.120 0.000 1.035 472 S CA 1.726 59.854 58.200 -0.120 0.000 1.025 472 S CB -0.445 62.710 63.200 -0.074 0.000 0.902 472 S HN 0.479 nan 8.310 nan 0.000 0.440 473 Y N 1.796 121.925 120.300 -0.285 0.000 2.274 473 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 473 Y C 1.840 177.617 175.900 -0.205 0.000 1.145 473 Y CA 1.043 58.999 58.100 -0.240 0.000 1.203 473 Y CB -0.374 37.879 38.460 -0.346 0.000 0.984 473 Y HN 0.157 nan 8.280 nan 0.000 0.533 474 L N 0.147 121.101 121.223 -0.449 0.000 1.994 474 L HA -0.238 4.101 4.340 -0.000 0.000 0.208 474 L C 2.430 179.105 176.870 -0.324 0.000 1.071 474 L CA 1.928 56.481 54.840 -0.478 0.000 0.745 474 L CB -0.433 41.285 42.059 -0.569 0.000 0.892 474 L HN 0.125 nan 8.230 nan 0.000 0.431 475 K N -0.520 119.726 120.400 -0.257 0.000 2.211 475 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 475 K C 2.205 178.704 176.600 -0.169 0.000 1.050 475 K CA 1.537 57.712 56.287 -0.186 0.000 0.945 475 K CB -0.045 32.366 32.500 -0.149 0.000 0.732 475 K HN 0.396 nan 8.250 nan 0.000 0.451 476 S N 0.217 115.808 115.700 -0.182 0.000 2.406 476 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 476 S C 1.526 176.005 174.600 -0.202 0.000 1.030 476 S CA 0.740 58.848 58.200 -0.154 0.000 0.958 476 S CB -0.053 63.084 63.200 -0.106 0.000 0.811 476 S HN 0.165 nan 8.310 nan 0.000 0.489 477 N N 0.917 119.428 118.700 -0.315 0.000 2.418 477 N HA 0.167 4.907 4.740 -0.000 0.000 0.199 477 N C 0.796 176.030 175.510 -0.461 0.000 1.044 477 N CA 0.933 53.727 53.050 -0.425 0.000 0.943 477 N CB -0.359 37.761 38.487 -0.612 0.000 1.154 477 N HN 0.405 nan 8.380 nan 0.000 0.467 478 H N 0.703 119.567 119.070 -0.344 0.000 2.660 478 H HA 0.210 4.766 4.556 -0.000 0.000 0.310 478 H C 0.570 175.776 175.328 -0.204 0.000 1.080 478 H CA -0.117 55.785 56.048 -0.243 0.000 1.145 478 H CB 0.027 29.642 29.762 -0.246 0.000 1.432 478 H HN 0.219 nan 8.280 nan 0.000 0.542 479 N N 1.661 120.284 118.700 -0.129 0.000 2.137 479 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 479 N C 1.454 176.913 175.510 -0.086 0.000 1.017 479 N CA 1.195 54.175 53.050 -0.117 0.000 0.859 479 N CB 0.201 38.617 38.487 -0.119 0.000 1.002 479 N HN 0.537 nan 8.380 nan 0.000 0.428 480 E N -0.236 119.920 120.200 -0.072 0.000 2.265 480 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 480 E C 1.916 178.489 176.600 -0.045 0.000 0.996 480 E CA 0.486 56.853 56.400 -0.055 0.000 0.832 480 E CB 0.011 29.681 29.700 -0.049 0.000 0.756 480 E HN 0.436 nan 8.360 nan 0.000 0.491 481 L N 0.159 121.358 121.223 -0.040 0.000 2.109 481 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 481 L C 2.309 179.139 176.870 -0.068 0.000 1.086 481 L CA 0.715 55.527 54.840 -0.047 0.000 0.760 481 L CB -0.446 41.587 42.059 -0.042 0.000 0.910 481 L HN 0.153 nan 8.230 nan 0.000 0.437 482 L N -0.364 120.810 121.223 -0.082 0.000 2.017 482 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 482 L C 2.715 179.546 176.870 -0.066 0.000 1.073 482 L CA 1.634 56.421 54.840 -0.088 0.000 0.745 482 L CB -1.101 40.893 42.059 -0.109 0.000 0.894 482 L HN 0.251 nan 8.230 nan 0.000 0.432 483 T N -0.846 113.671 114.554 -0.062 0.000 2.665 483 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 483 T C 1.726 176.404 174.700 -0.037 0.000 1.035 483 T CA 1.690 63.760 62.100 -0.050 0.000 1.151 483 T CB -0.325 68.514 68.868 -0.048 0.000 0.862 483 T HN 0.396 nan 8.240 nan 0.000 0.438 484 E N 0.488 120.666 120.200 -0.037 0.000 2.085 484 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 484 E C 2.232 178.817 176.600 -0.025 0.000 0.994 484 E CA 1.040 57.422 56.400 -0.029 0.000 0.801 484 E CB -0.379 29.302 29.700 -0.032 0.000 0.743 484 E HN 0.511 nan 8.360 nan 0.000 0.453 485 I N 0.786 121.337 120.570 -0.032 0.000 2.099 485 I HA -0.329 3.841 4.170 -0.000 0.000 0.239 485 I C 2.775 178.889 176.117 -0.006 0.000 1.066 485 I CA 1.225 62.510 61.300 -0.025 0.000 1.324 485 I CB -0.396 37.583 38.000 -0.035 0.000 1.037 485 I HN 0.053 nan 8.210 nan 0.000 0.401 486 R N 1.093 121.591 120.500 -0.004 0.000 2.119 486 R HA -0.253 4.087 4.340 -0.000 0.000 0.246 486 R C 1.886 178.202 176.300 0.026 0.000 1.146 486 R CA 2.228 58.338 56.100 0.017 0.000 0.962 486 R CB -0.180 30.120 30.300 0.001 0.000 0.863 486 R HN 0.489 nan 8.270 nan 0.000 0.442 487 E N -1.080 119.126 120.200 0.009 0.000 2.400 487 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 487 E C 1.733 178.338 176.600 0.009 0.000 1.012 487 E CA 0.331 56.738 56.400 0.011 0.000 0.875 487 E CB 0.445 30.145 29.700 0.001 0.000 0.859 487 E HN 0.276 nan 8.360 nan 0.000 0.498 488 K N -0.880 119.522 120.400 0.003 0.000 2.172 488 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 488 K C 1.380 177.982 176.600 0.005 0.000 1.040 488 K CA 0.913 57.201 56.287 0.001 0.000 0.974 488 K CB 0.613 33.110 32.500 -0.005 0.000 0.857 488 K HN 0.194 nan 8.250 nan 0.000 0.464 489 G N 1.263 110.066 108.800 0.005 0.000 2.254 489 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.225 489 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.225 489 G C 0.056 174.958 174.900 0.003 0.000 1.003 489 G CA 0.192 45.296 45.100 0.007 0.000 0.622 489 G HN 0.361 nan 8.290 nan 0.000 0.507 490 E N -0.790 119.409 120.200 -0.000 0.000 2.303 490 E HA 0.813 5.163 4.350 -0.000 0.000 0.254 490 E C -0.387 176.207 176.600 -0.010 0.000 0.979 490 E CA -0.840 55.559 56.400 -0.001 0.000 0.843 490 E CB 1.658 31.358 29.700 0.000 0.000 1.245 490 E HN 0.151 nan 8.360 nan 0.000 0.413 491 L N 1.886 123.102 121.223 -0.011 0.000 2.377 491 L HA 0.299 4.639 4.340 -0.000 0.000 0.270 491 L C -0.452 176.408 176.870 -0.017 0.000 0.991 491 L CA -0.697 54.128 54.840 -0.024 0.000 0.851 491 L CB 1.510 43.547 42.059 -0.036 0.000 1.218 491 L HN 0.561 nan 8.230 nan 0.000 0.420 492 S N 1.781 117.469 115.700 -0.020 0.000 2.579 492 S HA 0.140 4.610 4.470 -0.000 0.000 0.275 492 S C 1.030 175.623 174.600 -0.011 0.000 1.345 492 S CA -0.542 57.651 58.200 -0.012 0.000 1.031 492 S CB 1.228 64.420 63.200 -0.013 0.000 0.892 492 S HN 0.601 nan 8.310 nan 0.000 0.529 493 K N 1.075 121.475 120.400 -0.001 0.000 2.160 493 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 493 K C 1.902 178.502 176.600 0.000 0.000 1.047 493 K CA 1.909 58.199 56.287 0.006 0.000 0.930 493 K CB -0.255 32.251 32.500 0.011 0.000 0.720 493 K HN 0.672 nan 8.250 nan 0.000 0.450 494 E N 0.918 121.115 120.200 -0.005 0.000 2.005 494 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 494 E C 1.791 178.379 176.600 -0.020 0.000 1.010 494 E CA 1.041 57.437 56.400 -0.007 0.000 0.825 494 E CB -0.285 29.410 29.700 -0.008 0.000 0.769 494 E HN 0.052 nan 8.360 nan 0.000 0.456 495 L N 0.258 121.461 121.223 -0.034 0.000 2.131 495 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 495 L C 2.017 178.827 176.870 -0.101 0.000 1.092 495 L CA 1.237 56.040 54.840 -0.061 0.000 0.759 495 L CB -0.544 41.476 42.059 -0.066 0.000 0.903 495 L HN 0.175 nan 8.230 nan 0.000 0.435 496 L N -0.422 120.749 121.223 -0.088 0.000 1.970 496 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 496 L C 2.564 179.393 176.870 -0.067 0.000 1.071 496 L CA 2.152 56.922 54.840 -0.116 0.000 0.751 496 L CB -0.891 41.158 42.059 -0.017 0.000 0.889 496 L HN 0.287 nan 8.230 nan 0.000 0.432 497 A N -1.989 120.831 122.820 0.000 0.000 1.902 497 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 497 A C 2.512 180.104 177.584 0.012 0.000 1.181 497 A CA 1.988 54.045 52.037 0.034 0.000 0.623 497 A CB -1.133 17.889 19.000 0.036 0.000 0.818 497 A HN 0.493 nan 8.150 nan 0.000 0.443 498 S N -0.959 114.731 115.700 -0.017 0.000 2.383 498 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 498 S C 1.870 176.438 174.600 -0.053 0.000 1.030 498 S CA 1.641 59.829 58.200 -0.020 0.000 1.002 498 S CB -0.406 62.780 63.200 -0.024 0.000 0.829 498 S HN 0.419 nan 8.310 nan 0.000 0.467 499 L N 1.573 122.728 121.223 -0.112 0.000 2.109 499 L HA 0.122 4.462 4.340 -0.000 0.000 0.207 499 L C 2.322 179.167 176.870 -0.042 0.000 1.086 499 L CA 1.701 56.440 54.840 -0.167 0.000 0.760 499 L CB -0.534 41.283 42.059 -0.404 0.000 0.910 499 L HN 0.208 nan 8.230 nan 0.000 0.437 500 K N -1.226 119.200 120.400 0.044 0.000 2.152 500 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 500 K C 1.988 178.689 176.600 0.169 0.000 1.048 500 K CA 1.475 57.889 56.287 0.210 0.000 0.933 500 K CB 0.052 32.687 32.500 0.224 0.000 0.721 500 K HN 0.386 nan 8.250 nan 0.000 0.447 501 S N 0.606 116.366 115.700 0.099 0.000 2.335 501 S HA -0.119 4.351 4.470 -0.000 0.000 0.216 501 S C 2.129 176.794 174.600 0.108 0.000 1.032 501 S CA 1.038 59.297 58.200 0.098 0.000 1.000 501 S CB -0.488 62.754 63.200 0.069 0.000 0.928 501 S HN 0.473 nan 8.310 nan 0.000 0.434 502 A N 1.777 124.586 122.820 -0.018 0.000 1.997 502 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 502 A C 2.273 180.080 177.584 0.370 0.000 1.172 502 A CA 2.271 54.284 52.037 -0.040 0.000 0.645 502 A CB -1.569 17.128 19.000 -0.505 0.000 0.813 502 A HN 0.546 nan 8.150 nan 0.000 0.454 503 T N -0.119 114.640 114.554 0.342 0.000 2.614 503 T HA -0.162 4.188 4.350 -0.000 0.000 0.263 503 T C 1.740 176.604 174.700 0.273 0.000 1.055 503 T CA 1.539 63.823 62.100 0.307 0.000 1.162 503 T CB -0.407 68.588 68.868 0.213 0.000 0.863 503 T HN 0.674 nan 8.240 nan 0.000 0.414 504 E N 0.821 121.176 120.200 0.259 0.000 2.147 504 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 504 E C 2.512 179.189 176.600 0.129 0.000 1.005 504 E CA 1.228 57.736 56.400 0.180 0.000 0.810 504 E CB -0.200 29.591 29.700 0.151 0.000 0.736 504 E HN 0.284 nan 8.360 nan 0.000 0.460 505 S N -0.076 115.731 115.700 0.178 0.000 2.343 505 S HA -0.170 4.300 4.470 -0.000 0.000 0.219 505 S C 1.646 176.288 174.600 0.070 0.000 1.033 505 S CA 1.078 59.373 58.200 0.158 0.000 1.014 505 S CB -0.327 63.043 63.200 0.283 0.000 0.915 505 S HN 0.322 nan 8.310 nan 0.000 0.435 506 F N 2.403 122.274 119.950 -0.131 0.000 2.095 506 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 506 F C 2.000 177.702 175.800 -0.164 0.000 1.104 506 F CA 1.273 59.071 58.000 -0.338 0.000 1.232 506 F CB -0.938 37.813 39.000 -0.415 0.000 0.987 506 F HN 0.020 nan 8.300 nan 0.000 0.475 507 V N 0.917 120.745 119.914 -0.144 0.000 2.235 507 V HA -0.397 3.723 4.120 -0.000 0.000 0.244 507 V C 2.733 178.706 176.094 -0.202 0.000 1.036 507 V CA 2.539 64.756 62.300 -0.138 0.000 1.001 507 V CB -1.711 30.142 31.823 0.051 0.000 0.643 507 V HN 0.489 nan 8.190 nan 0.000 0.463 508 A N -1.220 121.530 122.820 -0.118 0.000 1.859 508 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 508 A C 1.842 179.348 177.584 -0.131 0.000 1.198 508 A CA 2.461 54.434 52.037 -0.106 0.000 0.629 508 A CB -0.877 18.080 19.000 -0.072 0.000 0.830 508 A HN 0.572 nan 8.150 nan 0.000 0.446 509 T N 0.000 114.473 114.554 -0.136 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 62.028 62.100 -0.120 0.000 1.349 509 T CB 0.000 68.815 68.868 -0.088 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658