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 2z9i_1_C DATA FIRST_RESID 6 DATA SEQUENCE GSVEQVAAKV VPSVVXLETD XXXXSEEGSG IILSAEGLIL TNNHVIAAAA DATA SEQUENCE KPPLGXPPPK TTVTFSDGRT APFTVVGADP TSDIAVVRVQ GVSGLTPISL DATA SEQUENCE GSSSDLRVGQ PVLAIGSPLG LEGTVTTGIV SALNRPVSTX XXXXXQNTVL DATA SEQUENCE DAIQTDAAIN PGNSGGALVN XNAQLVGVNS AIATLXXXXX XXXSGSIGLG DATA SEQUENCE FAIPVDQAKR IADELISTGK ASHASLGVQV TNXXXXLGAK IVEVXXXGAA DATA SEQUENCE XXXXVPKGVV VTKVDXRPIN SADALVAAVR SKAPGATXXX XXXXXXXXXX DATA SEQUENCE XXXXXLGKA 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.900 174.900 0.001 0.000 0.946 6 G CA 0.000 45.101 45.100 0.001 0.000 0.502 7 S N -0.551 115.150 115.700 0.001 0.000 2.600 7 S HA 0.367 4.837 4.470 -0.000 0.000 0.265 7 S C 1.523 176.124 174.600 0.000 0.000 1.325 7 S CA 0.125 58.325 58.200 0.000 0.000 1.002 7 S CB 1.449 64.650 63.200 0.000 0.000 0.921 7 S HN 1.056 nan 8.310 nan 0.000 0.554 8 V N 1.763 121.677 119.914 -0.000 0.000 2.427 8 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 8 V C 2.549 178.643 176.094 0.001 0.000 1.051 8 V CA 2.229 64.529 62.300 -0.000 0.000 1.048 8 V CB -1.411 30.411 31.823 -0.001 0.000 0.666 8 V HN 0.885 nan 8.190 nan 0.000 0.456 9 E N 0.081 120.281 120.200 0.001 0.000 2.077 9 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 9 E C 2.290 178.891 176.600 0.002 0.000 0.989 9 E CA 1.405 57.806 56.400 0.002 0.000 0.800 9 E CB -0.255 29.446 29.700 0.001 0.000 0.746 9 E HN 0.669 nan 8.360 nan 0.000 0.452 10 Q N 0.046 119.847 119.800 0.002 0.000 2.016 10 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 10 Q C 2.370 178.372 176.000 0.003 0.000 0.978 10 Q CA 1.399 57.204 55.803 0.003 0.000 0.833 10 Q CB -0.121 28.618 28.738 0.002 0.000 0.895 10 Q HN 0.143 nan 8.270 nan 0.000 0.427 11 V N 1.385 121.301 119.914 0.003 0.000 2.252 11 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 11 V C 2.334 178.430 176.094 0.004 0.000 1.056 11 V CA 2.046 64.348 62.300 0.003 0.000 1.022 11 V CB -1.175 30.649 31.823 0.002 0.000 0.641 11 V HN 0.453 nan 8.190 nan 0.000 0.445 12 A N -0.089 122.733 122.820 0.003 0.000 1.883 12 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 12 A C 2.437 180.025 177.584 0.007 0.000 1.186 12 A CA 2.513 54.553 52.037 0.004 0.000 0.624 12 A CB -0.939 18.063 19.000 0.003 0.000 0.822 12 A HN 0.634 nan 8.150 nan 0.000 0.444 13 A N -0.533 122.291 122.820 0.006 0.000 1.902 13 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 13 A C 2.131 179.721 177.584 0.009 0.000 1.181 13 A CA 1.864 53.906 52.037 0.008 0.000 0.623 13 A CB -0.455 18.549 19.000 0.006 0.000 0.818 13 A HN 0.539 nan 8.150 nan 0.000 0.443 14 K N -0.723 119.682 120.400 0.008 0.000 2.097 14 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 14 K C 1.715 178.321 176.600 0.011 0.000 1.049 14 K CA 1.581 57.873 56.287 0.009 0.000 0.933 14 K CB -0.157 32.347 32.500 0.007 0.000 0.717 14 K HN 0.368 nan 8.250 nan 0.000 0.442 15 V N -0.119 119.802 119.914 0.011 0.000 2.949 15 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 15 V C 2.048 178.152 176.094 0.016 0.000 1.086 15 V CA 0.537 62.845 62.300 0.012 0.000 1.097 15 V CB 0.405 32.233 31.823 0.008 0.000 0.762 15 V HN -0.001 nan 8.190 nan 0.000 0.470 16 V N 1.144 121.068 119.914 0.016 0.000 2.278 16 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 16 V C 0.124 176.239 176.094 0.035 0.000 1.062 16 V CA 2.926 65.238 62.300 0.020 0.000 1.038 16 V CB -1.680 30.154 31.823 0.018 0.000 0.646 16 V HN 0.508 nan 8.190 nan 0.000 0.447 17 P HA -0.082 nan 4.420 nan 0.000 0.218 17 P C 1.607 178.955 177.300 0.081 0.000 1.148 17 P CA 1.484 64.621 63.100 0.062 0.000 0.822 17 P CB -0.106 31.620 31.700 0.044 0.000 0.784 18 S N -1.339 114.395 115.700 0.056 0.000 2.603 18 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 18 S C 0.733 175.359 174.600 0.044 0.000 0.967 18 S CA 0.191 58.424 58.200 0.056 0.000 0.920 18 S CB -0.328 62.892 63.200 0.033 0.000 0.773 18 S HN -0.070 nan 8.310 nan 0.000 0.529 19 V N 2.306 122.240 119.914 0.033 0.000 2.555 19 V HA 0.671 4.791 4.120 -0.000 0.000 0.302 19 V C 0.101 176.181 176.094 -0.024 0.000 1.038 19 V CA -0.812 61.487 62.300 -0.002 0.000 0.887 19 V CB 1.564 33.382 31.823 -0.009 0.000 0.991 19 V HN 0.179 nan 8.190 nan 0.000 0.434 23 E N 1.214 121.508 120.200 0.157 0.000 2.248 23 E HA 0.697 5.047 4.350 -0.000 0.000 0.267 23 E C -1.218 175.458 176.600 0.127 0.000 0.877 23 E CA -0.640 55.828 56.400 0.113 0.000 0.759 23 E CB 2.898 32.629 29.700 0.051 0.000 1.182 23 E HN 0.405 nan 8.360 nan 0.000 0.418 24 T N 2.301 116.909 114.554 0.090 0.000 2.841 24 T HA 0.310 4.660 4.350 -0.000 0.000 0.285 24 T C -0.900 173.809 174.700 0.015 0.000 0.991 24 T CA -0.940 61.182 62.100 0.037 0.000 0.966 24 T CB 1.100 70.019 68.868 0.085 0.000 0.962 24 T HN 0.287 nan 8.240 nan 0.000 0.438 31 E N 1.783 122.008 120.200 0.042 0.000 2.151 31 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 31 E C -1.141 175.492 176.600 0.056 0.000 0.936 31 E CA -0.402 56.031 56.400 0.054 0.000 0.777 31 E CB 1.629 31.371 29.700 0.069 0.000 1.108 31 E HN 0.656 nan 8.360 nan 0.000 0.401 32 E N 2.313 122.542 120.200 0.047 0.000 2.210 32 E HA 0.624 4.974 4.350 -0.000 0.000 0.266 32 E C -0.884 175.732 176.600 0.026 0.000 0.883 32 E CA -0.684 55.736 56.400 0.034 0.000 0.761 32 E CB 1.734 31.449 29.700 0.025 0.000 1.156 32 E HN 0.683 nan 8.360 nan 0.000 0.412 33 G N 1.896 110.697 108.800 0.001 0.000 2.846 33 G HA2 0.512 4.472 3.960 -0.000 0.000 0.299 33 G HA3 0.512 4.472 3.960 -0.000 0.000 0.299 33 G C -1.112 173.757 174.900 -0.052 0.000 1.242 33 G CA -0.341 44.746 45.100 -0.023 0.000 0.800 33 G HN 0.460 nan 8.290 nan 0.000 0.538 34 S N -1.998 113.655 115.700 -0.077 0.000 2.709 34 S HA 0.921 5.391 4.470 -0.000 0.000 0.302 34 S C -0.203 174.320 174.600 -0.129 0.000 1.127 34 S CA -0.085 58.061 58.200 -0.090 0.000 0.905 34 S CB 1.871 65.035 63.200 -0.060 0.000 1.151 34 S HN 1.491 nan 8.310 nan 0.000 0.510 35 G N -0.053 108.669 108.800 -0.130 0.000 2.692 35 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 35 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 35 G C -1.901 172.942 174.900 -0.096 0.000 1.423 35 G CA -0.634 44.381 45.100 -0.142 0.000 0.843 35 G HN 0.584 nan 8.290 nan 0.000 0.486 36 I N 0.829 121.354 120.570 -0.075 0.000 2.418 36 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 36 I C -0.119 175.987 176.117 -0.018 0.000 1.008 36 I CA -0.682 60.596 61.300 -0.037 0.000 1.104 36 I CB 2.178 40.161 38.000 -0.029 0.000 1.264 36 I HN 0.281 nan 8.210 nan 0.000 0.438 37 I N 6.682 127.262 120.570 0.016 0.000 2.671 37 I HA -0.030 4.140 4.170 -0.000 0.000 0.285 37 I C 1.138 177.270 176.117 0.025 0.000 1.148 37 I CA 0.363 61.689 61.300 0.044 0.000 1.386 37 I CB 0.276 38.335 38.000 0.099 0.000 1.406 37 I HN 0.635 nan 8.210 nan 0.000 0.540 38 L N 4.877 126.110 121.223 0.017 0.000 2.127 38 L HA 0.039 4.379 4.340 -0.000 0.000 0.203 38 L C 0.953 177.831 176.870 0.014 0.000 1.080 38 L CA 0.672 55.519 54.840 0.010 0.000 0.768 38 L CB -0.202 41.859 42.059 0.002 0.000 0.924 38 L HN 0.770 nan 8.230 nan 0.000 0.444 39 S N -2.263 113.449 115.700 0.020 0.000 2.546 39 S HA 0.578 5.048 4.470 -0.000 0.000 0.274 39 S C 0.380 174.993 174.600 0.021 0.000 1.121 39 S CA -0.288 57.922 58.200 0.017 0.000 0.887 39 S CB 2.031 65.239 63.200 0.013 0.000 1.094 39 S HN 0.063 nan 8.310 nan 0.000 0.474 40 A N 1.258 124.085 122.820 0.012 0.000 2.024 40 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 40 A C 1.739 179.323 177.584 0.001 0.000 1.164 40 A CA 1.872 53.910 52.037 0.002 0.000 0.643 40 A CB -1.042 17.954 19.000 -0.007 0.000 0.806 40 A HN 0.893 nan 8.150 nan 0.000 0.451 41 E N -1.229 118.976 120.200 0.008 0.000 2.171 41 E HA 0.076 4.426 4.350 -0.000 0.000 0.197 41 E C 1.365 177.981 176.600 0.027 0.000 0.997 41 E CA 1.408 57.815 56.400 0.013 0.000 0.810 41 E CB -0.270 29.439 29.700 0.014 0.000 0.738 41 E HN 0.893 nan 8.360 nan 0.000 0.467 42 G N -0.748 108.077 108.800 0.041 0.000 2.148 42 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.120 42 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.120 42 G C -0.282 174.662 174.900 0.073 0.000 1.034 42 G CA -0.400 44.746 45.100 0.076 0.000 0.710 42 G HN 0.095 nan 8.290 nan 0.000 0.495 43 L N 0.916 122.166 121.223 0.045 0.000 2.410 43 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 43 L C 0.542 177.421 176.870 0.016 0.000 1.144 43 L CA -0.048 54.807 54.840 0.026 0.000 0.863 43 L CB 0.860 42.928 42.059 0.015 0.000 1.140 43 L HN 0.119 nan 8.230 nan 0.000 0.463 44 I N 4.446 125.007 120.570 -0.016 0.000 2.418 44 I HA 0.244 4.414 4.170 -0.000 0.000 0.287 44 I C -0.497 175.567 176.117 -0.088 0.000 1.008 44 I CA -0.660 60.606 61.300 -0.056 0.000 1.104 44 I CB 2.121 40.060 38.000 -0.101 0.000 1.264 44 I HN 0.372 nan 8.210 nan 0.000 0.438 45 L N 6.879 128.058 121.223 -0.073 0.000 2.326 45 L HA 0.712 5.052 4.340 -0.000 0.000 0.278 45 L C -0.083 176.723 176.870 -0.106 0.000 1.092 45 L CA 0.946 55.741 54.840 -0.075 0.000 0.810 45 L CB 1.494 43.526 42.059 -0.046 0.000 1.153 45 L HN 0.724 nan 8.230 nan 0.000 0.439 46 T N 2.428 116.911 114.554 -0.118 0.000 2.648 46 T HA 0.424 4.774 4.350 -0.000 0.000 0.304 46 T C -1.163 173.452 174.700 -0.142 0.000 1.312 46 T CA -0.790 61.220 62.100 -0.150 0.000 1.023 46 T CB 0.982 69.718 68.868 -0.220 0.000 1.612 46 T HN 0.659 nan 8.240 nan 0.000 0.487 47 N N 2.427 121.005 118.700 -0.204 0.000 2.509 47 N HA 0.250 4.990 4.740 -0.000 0.000 0.287 47 N C 1.073 176.445 175.510 -0.231 0.000 1.121 47 N CA -0.305 52.601 53.050 -0.240 0.000 0.977 47 N CB 1.184 39.380 38.487 -0.485 0.000 1.167 47 N HN 0.704 nan 8.380 nan 0.000 0.476 48 N N 1.494 120.122 118.700 -0.119 0.000 2.061 48 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 48 N C 1.395 176.881 175.510 -0.040 0.000 1.030 48 N CA 1.342 54.362 53.050 -0.050 0.000 0.856 48 N CB -0.108 38.388 38.487 0.015 0.000 1.023 48 N HN 0.644 nan 8.380 nan 0.000 0.424 49 H N -0.548 118.524 119.070 0.003 0.000 2.489 49 H HA -0.006 4.550 4.556 -0.000 0.000 0.293 49 H C 1.938 177.273 175.328 0.011 0.000 1.066 49 H CA 0.827 56.880 56.048 0.008 0.000 1.305 49 H CB -0.229 29.537 29.762 0.007 0.000 1.386 49 H HN 0.103 nan 8.280 nan 0.000 0.551 50 V N 1.790 121.520 119.914 -0.307 0.000 2.591 50 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 50 V C 2.232 178.310 176.094 -0.026 0.000 1.053 50 V CA 1.679 63.886 62.300 -0.155 0.000 1.068 50 V CB -0.277 31.392 31.823 -0.256 0.000 0.689 50 V HN 0.575 nan 8.190 nan 0.000 0.462 51 I N -2.392 118.162 120.570 -0.028 0.000 4.154 51 I HA 0.529 4.699 4.170 -0.000 0.000 0.334 51 I C 1.942 178.117 176.117 0.097 0.000 1.371 51 I CA 0.613 61.956 61.300 0.073 0.000 1.110 51 I CB -0.450 37.551 38.000 0.001 0.000 1.085 51 I HN -0.066 nan 8.210 nan 0.000 0.398 52 A N 1.781 124.638 122.820 0.062 0.000 1.958 52 A HA -0.100 4.220 4.320 -0.000 0.000 0.221 52 A C 2.519 180.142 177.584 0.064 0.000 1.178 52 A CA 2.325 54.400 52.037 0.063 0.000 0.642 52 A CB -1.002 18.037 19.000 0.065 0.000 0.816 52 A HN 0.613 nan 8.150 nan 0.000 0.453 53 A N -0.538 122.323 122.820 0.068 0.000 1.969 53 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 53 A C 2.448 180.062 177.584 0.050 0.000 1.169 53 A CA 1.839 53.908 52.037 0.053 0.000 0.635 53 A CB -0.818 18.211 19.000 0.049 0.000 0.810 53 A HN 1.055 nan 8.150 nan 0.000 0.445 54 A N -0.337 122.530 122.820 0.078 0.000 1.929 54 A HA 0.274 4.594 4.320 -0.000 0.000 0.216 54 A C 2.399 180.024 177.584 0.068 0.000 1.176 54 A CA 1.751 53.826 52.037 0.064 0.000 0.628 54 A CB -0.717 18.356 19.000 0.122 0.000 0.816 54 A HN 0.930 nan 8.150 nan 0.000 0.444 55 A N -1.166 121.706 122.820 0.086 0.000 1.975 55 A HA 0.389 4.709 4.320 -0.000 0.000 0.215 55 A C 1.576 179.188 177.584 0.046 0.000 1.170 55 A CA 1.739 53.819 52.037 0.071 0.000 0.656 55 A CB -0.321 18.721 19.000 0.070 0.000 0.821 55 A HN 0.751 nan 8.150 nan 0.000 0.449 56 K N 1.261 121.686 120.400 0.041 0.000 2.762 56 K HA 0.579 4.899 4.320 -0.000 0.000 0.180 56 K C -3.022 173.593 176.600 0.024 0.000 1.067 56 K CA -1.635 54.670 56.287 0.030 0.000 0.973 56 K CB -0.309 32.209 32.500 0.030 0.000 1.290 56 K HN 0.368 nan 8.250 nan 0.000 0.604 57 P HA 0.413 nan 4.420 nan 0.000 0.274 57 P C -1.807 175.499 177.300 0.010 0.000 1.237 57 P CA -0.714 62.393 63.100 0.012 0.000 0.793 57 P CB 0.051 31.753 31.700 0.004 0.000 0.977 58 P HA 0.001 nan 4.420 nan 0.000 0.260 58 P C 1.351 178.653 177.300 0.004 0.000 1.172 58 P CA 0.300 63.404 63.100 0.006 0.000 0.760 58 P CB -0.406 nan 31.700 nan 0.000 0.773 59 L N 3.272 124.497 121.223 0.005 0.000 2.013 59 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 59 L C 2.234 179.105 176.870 0.002 0.000 1.073 59 L CA 1.712 56.554 54.840 0.004 0.000 0.753 59 L CB -0.938 41.124 42.059 0.004 0.000 0.890 59 L HN 0.752 nan 8.230 nan 0.000 0.432 63 P HA 0.406 nan 4.420 nan 0.000 0.268 63 P C -2.244 175.032 177.300 -0.039 0.000 1.208 63 P CA -0.490 62.596 63.100 -0.024 0.000 0.777 63 P CB -0.078 31.608 31.700 -0.024 0.000 0.875 64 P HA 0.136 nan 4.420 nan 0.000 0.268 64 P C -0.268 176.971 177.300 -0.103 0.000 1.205 64 P CA -0.247 62.817 63.100 -0.060 0.000 0.771 64 P CB 0.582 32.253 31.700 -0.048 0.000 0.858 65 K N 2.128 122.471 120.400 -0.096 0.000 2.350 65 K HA 0.302 4.621 4.320 -0.000 0.000 0.279 65 K C -0.197 176.290 176.600 -0.187 0.000 1.027 65 K CA -0.094 56.120 56.287 -0.123 0.000 0.969 65 K CB 0.043 32.498 32.500 -0.076 0.000 0.954 65 K HN 0.638 nan 8.250 nan 0.000 0.474 66 T N 0.409 114.786 114.554 -0.295 0.000 2.887 66 T HA 0.641 4.991 4.350 -0.000 0.000 0.288 66 T C -0.797 173.755 174.700 -0.247 0.000 1.021 66 T CA -0.878 60.935 62.100 -0.477 0.000 1.000 66 T CB 1.574 69.618 68.868 -1.373 0.000 1.034 66 T HN 0.473 nan 8.240 nan 0.000 0.467 67 T N 1.695 116.214 114.554 -0.058 0.000 2.991 67 T HA 0.526 4.876 4.350 -0.000 0.000 0.303 67 T C -0.578 174.205 174.700 0.139 0.000 1.015 67 T CA -0.693 61.431 62.100 0.041 0.000 1.007 67 T CB 1.469 70.347 68.868 0.016 0.000 1.034 67 T HN 0.686 nan 8.240 nan 0.000 0.446 68 V N 3.272 123.238 119.914 0.087 0.000 2.394 68 V HA 0.541 4.661 4.120 -0.000 0.000 0.282 68 V C 0.219 176.151 176.094 -0.270 0.000 1.031 68 V CA -0.527 61.699 62.300 -0.124 0.000 0.881 68 V CB 1.569 33.254 31.823 -0.230 0.000 0.982 68 V HN 1.017 nan 8.190 nan 0.000 0.451 69 T N 5.820 120.183 114.554 -0.319 0.000 2.791 69 T HA 0.594 4.944 4.350 -0.000 0.000 0.288 69 T C -0.419 174.080 174.700 -0.334 0.000 0.999 69 T CA -0.117 61.851 62.100 -0.219 0.000 0.952 69 T CB 0.379 69.203 68.868 -0.075 0.000 0.938 69 T HN 0.265 nan 8.240 nan 0.000 0.444 70 F N 1.554 121.516 119.950 0.020 0.000 2.380 70 F HA 0.257 4.784 4.527 -0.000 0.000 0.325 70 F C 2.167 177.973 175.800 0.009 0.000 1.136 70 F CA -0.655 57.353 58.000 0.013 0.000 1.171 70 F CB 0.774 39.782 39.000 0.013 0.000 1.230 70 F HN 0.619 nan 8.300 nan 0.000 0.554 71 S N -0.521 115.296 115.700 0.195 0.000 2.419 71 S HA -0.213 4.257 4.470 -0.000 0.000 0.233 71 S C 1.257 175.914 174.600 0.095 0.000 1.016 71 S CA 1.262 59.525 58.200 0.104 0.000 0.974 71 S CB -0.678 62.569 63.200 0.080 0.000 0.786 71 S HN 0.765 nan 8.310 nan 0.000 0.492 72 D N 0.547 121.018 120.400 0.118 0.000 2.363 72 D HA 0.233 4.873 4.640 -0.000 0.000 0.220 72 D C 1.489 177.834 176.300 0.075 0.000 0.994 72 D CA 0.806 54.851 54.000 0.075 0.000 0.890 72 D CB -0.696 40.132 40.800 0.047 0.000 0.906 72 D HN 0.643 nan 8.370 nan 0.000 0.530 73 G N -0.188 108.676 108.800 0.105 0.000 2.218 73 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 73 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 73 G C 0.457 175.426 174.900 0.116 0.000 0.994 73 G CA -0.160 44.992 45.100 0.087 0.000 0.637 73 G HN 0.423 nan 8.290 nan 0.000 0.505 74 R N 0.371 120.970 120.500 0.164 0.000 2.827 74 R HA 0.556 4.896 4.340 -0.000 0.000 0.269 74 R C -0.219 176.280 176.300 0.333 0.000 1.048 74 R CA 1.003 57.225 56.100 0.204 0.000 1.173 74 R CB 0.382 30.761 30.300 0.131 0.000 1.070 74 R HN 0.165 nan 8.270 nan 0.000 0.498 75 T N -0.295 114.431 114.554 0.288 0.000 2.923 75 T HA 0.664 5.014 4.350 -0.000 0.000 0.311 75 T C -1.699 173.144 174.700 0.238 0.000 1.183 75 T CA -0.549 61.682 62.100 0.218 0.000 1.020 75 T CB 1.931 70.864 68.868 0.108 0.000 1.165 75 T HN 0.705 nan 8.240 nan 0.000 0.482 76 A N 3.792 126.741 122.820 0.215 0.000 2.582 76 A HA 0.812 5.132 4.320 -0.000 0.000 0.297 76 A C -3.142 174.522 177.584 0.133 0.000 1.059 76 A CA -1.386 50.763 52.037 0.188 0.000 0.705 76 A CB 1.204 20.372 19.000 0.279 0.000 1.279 76 A HN 0.509 nan 8.150 nan 0.000 0.404 77 P HA 0.490 nan 4.420 nan 0.000 0.271 77 P C -0.741 176.609 177.300 0.082 0.000 1.233 77 P CA 0.224 63.321 63.100 -0.005 0.000 0.789 77 P CB 0.200 31.870 31.700 -0.050 0.000 0.951 78 F N -2.061 117.896 119.950 0.011 0.000 2.593 78 F HA 0.776 5.303 4.527 -0.000 0.000 0.320 78 F C -0.475 175.329 175.800 0.007 0.000 1.060 78 F CA -1.164 56.842 58.000 0.011 0.000 0.940 78 F CB 1.335 40.331 39.000 -0.006 0.000 1.268 78 F HN 0.307 nan 8.300 nan 0.000 0.475 79 T N 1.306 116.052 114.554 0.320 0.000 2.887 79 T HA 0.659 5.009 4.350 -0.000 0.000 0.288 79 T C -1.377 173.490 174.700 0.278 0.000 1.021 79 T CA -0.587 61.636 62.100 0.205 0.000 1.000 79 T CB 1.406 70.334 68.868 0.099 0.000 1.034 79 T HN 0.690 nan 8.240 nan 0.000 0.467 80 V N 5.655 125.694 119.914 0.208 0.000 2.432 80 V HA 0.225 4.345 4.120 -0.000 0.000 0.271 80 V C 1.280 177.423 176.094 0.082 0.000 1.046 80 V CA -0.265 62.126 62.300 0.152 0.000 0.945 80 V CB 1.111 33.019 31.823 0.142 0.000 0.992 80 V HN 0.910 nan 8.190 nan 0.000 0.471 81 V N 3.830 123.777 119.914 0.055 0.000 2.426 81 V HA 0.366 4.486 4.120 -0.000 0.000 0.242 81 V C 1.072 177.180 176.094 0.024 0.000 1.036 81 V CA 1.429 63.750 62.300 0.034 0.000 1.044 81 V CB -0.033 31.804 31.823 0.023 0.000 0.688 81 V HN 0.951 nan 8.190 nan 0.000 0.462 82 G N -1.096 107.715 108.800 0.018 0.000 2.742 82 G HA2 0.687 4.647 3.960 -0.000 0.000 0.296 82 G HA3 0.687 4.647 3.960 -0.000 0.000 0.296 82 G C -1.654 173.254 174.900 0.013 0.000 1.436 82 G CA 0.106 45.215 45.100 0.015 0.000 0.928 82 G HN 0.465 nan 8.290 nan 0.000 0.520 83 A N 0.918 123.751 122.820 0.021 0.000 2.385 83 A HA 0.681 5.001 4.320 -0.000 0.000 0.290 83 A C -1.451 176.155 177.584 0.036 0.000 1.094 83 A CA -0.546 51.504 52.037 0.022 0.000 0.729 83 A CB 1.864 20.880 19.000 0.027 0.000 1.194 83 A HN 0.572 nan 8.150 nan 0.000 0.442 84 D N 3.783 124.208 120.400 0.043 0.000 2.473 84 D HA 0.492 5.131 4.640 -0.000 0.000 0.226 84 D C -1.817 174.519 176.300 0.059 0.000 1.089 84 D CA -1.806 52.241 54.000 0.077 0.000 0.883 84 D CB 1.629 42.499 40.800 0.117 0.000 1.029 84 D HN 0.163 nan 8.370 nan 0.000 0.517 85 P HA -0.143 nan 4.420 nan 0.000 0.216 85 P C 1.308 178.611 177.300 0.004 0.000 1.150 85 P CA 1.333 64.452 63.100 0.030 0.000 0.837 85 P CB 0.116 31.832 31.700 0.027 0.000 0.786 86 T N -3.824 110.709 114.554 -0.036 0.000 3.023 86 T HA -0.031 4.318 4.350 -0.000 0.000 0.266 86 T C 1.756 176.392 174.700 -0.106 0.000 1.093 86 T CA 1.276 63.303 62.100 -0.122 0.000 1.129 86 T CB -0.926 67.763 68.868 -0.299 0.000 0.899 86 T HN 0.160 nan 8.240 nan 0.000 0.491 87 S N 0.281 115.960 115.700 -0.036 0.000 2.517 87 S HA 0.153 4.623 4.470 -0.000 0.000 0.214 87 S C 0.688 175.301 174.600 0.022 0.000 0.991 87 S CA 0.520 58.723 58.200 0.005 0.000 0.906 87 S CB -0.376 62.863 63.200 0.065 0.000 0.789 87 S HN 0.417 nan 8.310 nan 0.000 0.513 88 D N 0.547 120.965 120.400 0.030 0.000 2.772 88 D HA -0.124 4.516 4.640 -0.000 0.000 0.233 88 D C -0.983 175.326 176.300 0.016 0.000 1.143 88 D CA 0.529 54.558 54.000 0.048 0.000 0.700 88 D CB -1.506 39.354 40.800 0.100 0.000 1.076 88 D HN 0.449 nan 8.370 nan 0.000 0.430 89 I N 0.164 120.742 120.570 0.012 0.000 2.465 89 I HA 0.722 4.892 4.170 -0.000 0.000 0.291 89 I C 0.607 176.715 176.117 -0.015 0.000 1.014 89 I CA -0.784 60.511 61.300 -0.009 0.000 1.093 89 I CB 1.399 39.403 38.000 0.006 0.000 1.267 89 I HN 0.137 nan 8.210 nan 0.000 0.431 90 A N 6.122 128.915 122.820 -0.046 0.000 2.479 90 A HA 0.903 5.223 4.320 -0.000 0.000 0.296 90 A C -1.229 176.318 177.584 -0.063 0.000 1.121 90 A CA -0.527 51.481 52.037 -0.048 0.000 0.743 90 A CB 2.002 20.962 19.000 -0.067 0.000 1.323 90 A HN 0.358 nan 8.150 nan 0.000 0.415 91 V N 0.480 120.364 119.914 -0.050 0.000 2.656 91 V HA 0.677 4.797 4.120 -0.000 0.000 0.307 91 V C -0.472 175.588 176.094 -0.057 0.000 1.051 91 V CA -0.481 61.787 62.300 -0.054 0.000 0.893 91 V CB 1.459 33.267 31.823 -0.025 0.000 0.999 91 V HN 0.762 nan 8.190 nan 0.000 0.426 92 V N 4.025 123.884 119.914 -0.091 0.000 3.102 92 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 92 V C -0.532 175.553 176.094 -0.015 0.000 1.135 92 V CA -0.849 61.398 62.300 -0.088 0.000 1.022 92 V CB 2.630 34.219 31.823 -0.390 0.000 1.056 92 V HN 0.885 nan 8.190 nan 0.000 0.436 93 R N 0.958 121.506 120.500 0.081 0.000 2.574 93 R HA 0.739 5.079 4.340 -0.000 0.000 0.288 93 R C -2.041 174.352 176.300 0.156 0.000 1.004 93 R CA -0.356 55.802 56.100 0.097 0.000 0.895 93 R CB 2.177 32.526 30.300 0.083 0.000 1.191 93 R HN 0.522 nan 8.270 nan 0.000 0.444 94 V N 4.109 124.112 119.914 0.149 0.000 2.547 94 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 94 V C 1.032 177.198 176.094 0.120 0.000 1.040 94 V CA 0.550 62.959 62.300 0.181 0.000 0.913 94 V CB 1.553 33.548 31.823 0.288 0.000 0.992 94 V HN 1.056 nan 8.190 nan 0.000 0.449 95 Q N 4.333 124.194 119.800 0.101 0.000 1.946 95 Q HA 0.193 4.533 4.340 -0.000 0.000 0.199 95 Q C 1.349 177.374 176.000 0.041 0.000 0.979 95 Q CA 1.230 57.071 55.803 0.062 0.000 0.834 95 Q CB -0.693 28.075 28.738 0.050 0.000 0.899 95 Q HN 1.479 nan 8.270 nan 0.000 0.431 96 G N -0.183 108.636 108.800 0.032 0.000 4.803 96 G HA2 0.475 4.435 3.960 -0.000 0.000 0.266 96 G HA3 0.475 4.435 3.960 -0.000 0.000 0.266 96 G C -0.687 174.202 174.900 -0.019 0.000 1.111 96 G CA 0.061 45.165 45.100 0.007 0.000 0.874 96 G HN 0.348 nan 8.290 nan 0.000 0.555 97 V N 0.976 120.868 119.914 -0.037 0.000 2.461 97 V HA 0.400 4.520 4.120 -0.000 0.000 0.275 97 V C 0.835 176.844 176.094 -0.142 0.000 1.047 97 V CA -0.311 61.916 62.300 -0.120 0.000 0.955 97 V CB 1.371 33.049 31.823 -0.241 0.000 0.988 97 V HN 0.315 nan 8.190 nan 0.000 0.471 98 S N 3.281 118.899 115.700 -0.136 0.000 2.580 98 S HA 0.504 4.974 4.470 -0.000 0.000 0.274 98 S C 1.042 175.554 174.600 -0.147 0.000 1.329 98 S CA 0.559 58.692 58.200 -0.111 0.000 1.036 98 S CB 0.786 63.937 63.200 -0.081 0.000 0.919 98 S HN 1.741 nan 8.310 nan 0.000 0.515 99 G N 2.797 111.534 108.800 -0.105 0.000 2.225 99 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.264 99 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.264 99 G C -0.155 174.678 174.900 -0.112 0.000 1.060 99 G CA 0.030 45.073 45.100 -0.095 0.000 0.833 99 G HN 0.610 nan 8.290 nan 0.000 0.498 100 L N 0.396 121.552 121.223 -0.113 0.000 2.371 100 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 100 L C 0.581 177.435 176.870 -0.026 0.000 1.124 100 L CA -0.265 54.523 54.840 -0.087 0.000 0.816 100 L CB 1.313 43.327 42.059 -0.074 0.000 1.129 100 L HN 0.137 nan 8.230 nan 0.000 0.448 101 T N 3.394 117.950 114.554 0.004 0.000 2.770 101 T HA 0.353 4.703 4.350 -0.000 0.000 0.297 101 T C -2.430 172.288 174.700 0.029 0.000 0.997 101 T CA -1.337 60.772 62.100 0.014 0.000 0.949 101 T CB 1.314 70.192 68.868 0.016 0.000 0.941 101 T HN 0.292 nan 8.240 nan 0.000 0.457 102 P HA 0.330 nan 4.420 nan 0.000 0.275 102 P C 0.037 177.347 177.300 0.018 0.000 1.228 102 P CA -0.721 62.392 63.100 0.022 0.000 0.786 102 P CB 0.703 32.412 31.700 0.015 0.000 0.927 103 I N 1.395 121.975 120.570 0.017 0.000 2.779 103 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 103 I C 0.192 176.314 176.117 0.008 0.000 1.134 103 I CA 0.269 61.576 61.300 0.012 0.000 1.398 103 I CB 0.652 38.657 38.000 0.009 0.000 1.404 103 I HN 0.333 nan 8.210 nan 0.000 0.587 104 S N 7.289 122.993 115.700 0.007 0.000 2.545 104 S HA 0.457 4.927 4.470 -0.000 0.000 0.275 104 S C -0.424 174.179 174.600 0.004 0.000 1.299 104 S CA -0.726 57.477 58.200 0.005 0.000 1.048 104 S CB 0.768 63.970 63.200 0.004 0.000 0.938 104 S HN 0.376 nan 8.310 nan 0.000 0.496 105 L N 2.676 123.901 121.223 0.004 0.000 2.289 105 L HA 0.601 4.941 4.340 -0.000 0.000 0.285 105 L C 1.035 177.908 176.870 0.004 0.000 1.049 105 L CA -0.459 54.383 54.840 0.003 0.000 0.804 105 L CB 0.975 43.036 42.059 0.003 0.000 1.195 105 L HN 0.842 nan 8.230 nan 0.000 0.428 106 G N 1.012 109.814 108.800 0.004 0.000 2.606 106 G HA2 0.435 4.395 3.960 -0.000 0.000 0.262 106 G HA3 0.435 4.395 3.960 -0.000 0.000 0.262 106 G C -0.938 173.965 174.900 0.005 0.000 1.394 106 G CA -0.379 44.724 45.100 0.005 0.000 1.044 106 G HN 0.435 nan 8.290 nan 0.000 0.553 107 S N -1.314 114.390 115.700 0.006 0.000 2.478 107 S HA 0.412 4.882 4.470 -0.000 0.000 0.312 107 S C 1.255 175.860 174.600 0.008 0.000 1.094 107 S CA -0.056 58.148 58.200 0.006 0.000 1.081 107 S CB 1.469 64.672 63.200 0.006 0.000 1.007 107 S HN 0.786 nan 8.310 nan 0.000 0.475 108 S N 2.706 118.412 115.700 0.009 0.000 2.446 108 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 108 S C 1.812 176.419 174.600 0.012 0.000 1.016 108 S CA 0.919 59.127 58.200 0.012 0.000 0.943 108 S CB -0.427 62.782 63.200 0.014 0.000 0.786 108 S HN 0.744 nan 8.310 nan 0.000 0.508 109 S N 1.616 117.322 115.700 0.010 0.000 2.474 109 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 109 S C 1.003 175.608 174.600 0.008 0.000 0.997 109 S CA 0.969 59.174 58.200 0.009 0.000 0.949 109 S CB -0.471 62.734 63.200 0.008 0.000 0.766 109 S HN 0.410 nan 8.310 nan 0.000 0.517 110 D N 1.169 121.574 120.400 0.008 0.000 2.323 110 D HA 0.219 4.859 4.640 -0.000 0.000 0.209 110 D C 0.529 176.834 176.300 0.008 0.000 0.973 110 D CA 0.016 54.020 54.000 0.007 0.000 0.874 110 D CB -0.251 40.553 40.800 0.006 0.000 0.930 110 D HN 0.398 nan 8.370 nan 0.000 0.521 111 L N 1.943 123.172 121.223 0.009 0.000 2.559 111 L HA 0.007 4.347 4.340 -0.000 0.000 0.282 111 L C 0.815 177.691 176.870 0.010 0.000 1.232 111 L CA 0.611 55.457 54.840 0.011 0.000 0.885 111 L CB 0.232 42.300 42.059 0.014 0.000 1.131 111 L HN 0.006 nan 8.230 nan 0.000 0.498 112 R N 2.052 122.557 120.500 0.009 0.000 2.744 112 R HA 0.561 4.900 4.340 -0.000 0.000 0.279 112 R C -1.174 175.131 176.300 0.009 0.000 0.977 112 R CA -1.080 55.025 56.100 0.009 0.000 0.906 112 R CB 1.282 31.586 30.300 0.007 0.000 1.197 112 R HN 0.183 nan 8.270 nan 0.000 0.463 113 V N 2.180 122.101 119.914 0.010 0.000 2.644 113 V HA 0.144 4.264 4.120 -0.000 0.000 0.305 113 V C 1.478 177.576 176.094 0.006 0.000 1.053 113 V CA 2.153 64.459 62.300 0.010 0.000 1.186 113 V CB 0.538 32.368 31.823 0.012 0.000 0.895 113 V HN 1.164 nan 8.190 nan 0.000 0.490 114 G N 3.222 112.024 108.800 0.004 0.000 2.213 114 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 114 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 114 G C 0.342 175.243 174.900 0.001 0.000 0.991 114 G CA 0.284 45.385 45.100 0.001 0.000 0.629 114 G HN 0.788 nan 8.290 nan 0.000 0.517 115 Q N 2.164 121.965 119.800 0.002 0.000 2.300 115 Q HA 0.372 4.712 4.340 -0.000 0.000 0.280 115 Q C -2.001 173.998 176.000 -0.001 0.000 1.033 115 Q CA -1.123 54.681 55.803 0.001 0.000 0.903 115 Q CB 0.775 29.515 28.738 0.003 0.000 1.195 115 Q HN 0.305 nan 8.270 nan 0.000 0.386 116 P HA 0.010 nan 4.420 nan 0.000 0.271 116 P C -1.100 176.199 177.300 -0.003 0.000 1.216 116 P CA 0.020 63.118 63.100 -0.003 0.000 0.771 116 P CB 0.812 32.510 31.700 -0.003 0.000 0.864 117 V N 1.176 121.087 119.914 -0.005 0.000 3.078 117 V HA 0.616 4.736 4.120 -0.000 0.000 0.311 117 V C -0.725 175.365 176.094 -0.007 0.000 1.138 117 V CA -1.142 61.155 62.300 -0.005 0.000 1.007 117 V CB 2.160 33.980 31.823 -0.005 0.000 1.045 117 V HN 0.255 nan 8.190 nan 0.000 0.432 118 L N 2.387 123.607 121.223 -0.005 0.000 2.346 118 L HA 0.903 5.243 4.340 -0.000 0.000 0.276 118 L C 0.262 177.128 176.870 -0.007 0.000 1.006 118 L CA -0.791 54.045 54.840 -0.007 0.000 0.817 118 L CB 1.922 43.979 42.059 -0.004 0.000 1.272 118 L HN 0.987 nan 8.230 nan 0.000 0.421 119 A N 4.879 127.693 122.820 -0.010 0.000 2.292 119 A HA 0.834 5.154 4.320 -0.000 0.000 0.319 119 A C -0.604 176.975 177.584 -0.009 0.000 1.206 119 A CA -0.424 51.606 52.037 -0.011 0.000 0.835 119 A CB 0.634 19.625 19.000 -0.016 0.000 1.164 119 A HN 0.650 nan 8.150 nan 0.000 0.505 120 I N 2.070 122.635 120.570 -0.008 0.000 2.466 120 I HA 0.706 4.876 4.170 -0.000 0.000 0.289 120 I C 0.511 176.621 176.117 -0.012 0.000 1.026 120 I CA -0.322 60.973 61.300 -0.008 0.000 1.078 120 I CB 2.189 40.187 38.000 -0.005 0.000 1.249 120 I HN 0.871 nan 8.210 nan 0.000 0.429 121 G N 2.962 111.754 108.800 -0.012 0.000 2.428 121 G HA2 0.327 4.287 3.960 -0.000 0.000 0.305 121 G HA3 0.327 4.287 3.960 -0.000 0.000 0.305 121 G C -1.247 173.644 174.900 -0.016 0.000 1.260 121 G CA -0.376 44.714 45.100 -0.017 0.000 0.853 121 G HN 0.364 nan 8.290 nan 0.000 0.480 122 S N 2.516 118.206 115.700 -0.017 0.000 2.256 122 S HA 0.415 4.885 4.470 -0.000 0.000 0.210 122 S C -2.642 171.954 174.600 -0.005 0.000 1.329 122 S CA -0.767 57.425 58.200 -0.013 0.000 1.267 122 S CB 1.070 64.257 63.200 -0.021 0.000 1.086 122 S HN 0.506 nan 8.310 nan 0.000 0.468 123 P HA 0.194 nan 4.420 nan 0.000 0.271 123 P C 0.009 177.310 177.300 0.001 0.000 1.220 123 P CA 0.004 63.104 63.100 0.001 0.000 0.768 123 P CB 0.551 32.250 31.700 -0.002 0.000 0.848 124 L N 2.454 123.679 121.223 0.004 0.000 4.001 124 L HA -0.239 4.101 4.340 -0.000 0.000 0.413 124 L C 1.374 178.247 176.870 0.004 0.000 1.185 124 L CA 1.478 56.320 54.840 0.005 0.000 0.963 124 L CB -2.759 39.302 42.059 0.003 0.000 1.976 124 L HN 0.829 nan 8.230 nan 0.000 0.939 125 G N -1.587 107.215 108.800 0.003 0.000 2.162 125 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 125 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 125 G C 0.329 175.229 174.900 -0.000 0.000 0.976 125 G CA 0.190 45.291 45.100 0.002 0.000 0.655 125 G HN 0.416 nan 8.290 nan 0.000 0.533 126 L N 1.540 122.763 121.223 -0.001 0.000 2.399 126 L HA 0.310 4.650 4.340 -0.000 0.000 0.257 126 L C 0.999 177.867 176.870 -0.003 0.000 1.236 126 L CA -0.438 54.401 54.840 -0.001 0.000 1.144 126 L CB 0.379 42.438 42.059 -0.001 0.000 1.379 126 L HN 0.167 nan 8.230 nan 0.000 0.414 127 E N 2.331 122.529 120.200 -0.004 0.000 2.414 127 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 127 E C 1.037 177.636 176.600 -0.003 0.000 1.000 127 E CA 0.913 57.308 56.400 -0.007 0.000 0.914 127 E CB 0.911 30.608 29.700 -0.006 0.000 0.948 127 E HN 0.749 nan 8.360 nan 0.000 0.444 128 G N 3.658 112.455 108.800 -0.005 0.000 2.198 128 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 128 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 128 G C 0.259 175.159 174.900 0.000 0.000 1.042 128 G CA 0.525 45.626 45.100 0.000 0.000 0.791 128 G HN 0.511 nan 8.290 nan 0.000 0.502 129 T N 0.463 115.015 114.554 -0.003 0.000 2.779 129 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 129 T C 0.631 175.328 174.700 -0.004 0.000 0.938 129 T CA -0.033 62.065 62.100 -0.004 0.000 1.119 129 T CB 1.825 70.690 68.868 -0.005 0.000 0.891 129 T HN 0.443 nan 8.240 nan 0.000 0.526 130 V N 5.346 125.258 119.914 -0.003 0.000 2.370 130 V HA 0.527 4.647 4.120 -0.000 0.000 0.279 130 V C 0.638 176.728 176.094 -0.006 0.000 1.029 130 V CA -0.859 61.439 62.300 -0.004 0.000 0.870 130 V CB 1.236 33.058 31.823 -0.002 0.000 0.984 130 V HN 1.072 nan 8.190 nan 0.000 0.451 131 T N 0.519 115.068 114.554 -0.009 0.000 2.887 131 T HA 0.607 4.957 4.350 -0.000 0.000 0.288 131 T C -0.279 174.414 174.700 -0.012 0.000 1.021 131 T CA -0.673 61.420 62.100 -0.012 0.000 1.000 131 T CB 1.878 70.736 68.868 -0.016 0.000 1.034 131 T HN 0.586 nan 8.240 nan 0.000 0.467 132 T N 0.460 115.006 114.554 -0.013 0.000 2.824 132 T HA 0.762 5.111 4.350 -0.000 0.000 0.280 132 T C 0.225 174.915 174.700 -0.017 0.000 0.995 132 T CA 0.212 62.304 62.100 -0.012 0.000 1.009 132 T CB 0.516 69.379 68.868 -0.010 0.000 0.955 132 T HN 1.200 nan 8.240 nan 0.000 0.452 133 G N 2.972 111.762 108.800 -0.017 0.000 2.650 133 G HA2 0.641 4.601 3.960 -0.000 0.000 0.310 133 G HA3 0.641 4.601 3.960 -0.000 0.000 0.310 133 G C -1.270 173.620 174.900 -0.016 0.000 1.270 133 G CA -0.487 44.601 45.100 -0.021 0.000 0.810 133 G HN 1.060 nan 8.290 nan 0.000 0.493 134 I N -2.177 118.382 120.570 -0.018 0.000 3.067 134 I HA 0.790 4.960 4.170 -0.000 0.000 0.312 134 I C -0.335 175.774 176.117 -0.013 0.000 1.073 134 I CA -1.431 59.861 61.300 -0.013 0.000 1.016 134 I CB 2.148 40.142 38.000 -0.010 0.000 1.227 134 I HN 0.269 nan 8.210 nan 0.000 0.456 135 V N 3.595 123.506 119.914 -0.005 0.000 2.425 135 V HA 0.031 4.151 4.120 -0.000 0.000 0.276 135 V C 1.062 177.157 176.094 0.002 0.000 1.017 135 V CA 0.505 62.806 62.300 0.001 0.000 1.062 135 V CB 0.228 32.056 31.823 0.009 0.000 0.997 135 V HN 0.936 nan 8.190 nan 0.000 0.476 136 S N 3.217 118.917 115.700 -0.001 0.000 2.439 136 S HA 0.427 4.897 4.470 -0.000 0.000 0.224 136 S C 0.643 175.256 174.600 0.022 0.000 1.029 136 S CA 0.730 58.931 58.200 0.002 0.000 0.946 136 S CB 0.311 63.502 63.200 -0.016 0.000 0.797 136 S HN 1.029 nan 8.310 nan 0.000 0.504 137 A N 0.352 123.195 122.820 0.038 0.000 2.599 137 A HA 0.679 4.999 4.320 -0.000 0.000 0.294 137 A C -1.865 175.756 177.584 0.061 0.000 1.055 137 A CA -0.738 51.331 52.037 0.053 0.000 0.683 137 A CB 0.686 19.732 19.000 0.078 0.000 1.278 137 A HN 0.188 nan 8.150 nan 0.000 0.412 138 L N 0.868 122.120 121.223 0.049 0.000 2.342 138 L HA 0.558 4.898 4.340 -0.000 0.000 0.271 138 L C 0.269 177.162 176.870 0.037 0.000 1.008 138 L CA -0.713 54.153 54.840 0.044 0.000 0.818 138 L CB 1.693 43.770 42.059 0.030 0.000 1.296 138 L HN 0.962 nan 8.230 nan 0.000 0.427 139 N N 0.492 119.211 118.700 0.033 0.000 2.738 139 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 139 N C -0.457 175.055 175.510 0.004 0.000 1.047 139 N CA 0.206 53.265 53.050 0.015 0.000 0.707 139 N CB -0.825 37.668 38.487 0.010 0.000 0.937 139 N HN 0.385 nan 8.380 nan 0.000 0.545 140 R N 1.206 121.711 120.500 0.008 0.000 2.216 140 R HA 0.335 4.675 4.340 -0.000 0.000 0.332 140 R C -2.641 173.590 176.300 -0.115 0.000 1.056 140 R CA -1.955 54.126 56.100 -0.032 0.000 0.901 140 R CB 0.696 31.009 30.300 0.021 0.000 1.039 140 R HN -0.026 nan 8.270 nan 0.000 0.456 141 P HA 0.077 nan 4.420 nan 0.000 0.276 141 P C -1.157 176.016 177.300 -0.212 0.000 1.253 141 P CA -0.146 62.877 63.100 -0.129 0.000 0.766 141 P CB 1.085 32.734 31.700 -0.085 0.000 0.845 142 V N 4.077 123.843 119.914 -0.248 0.000 2.419 142 V HA 0.278 4.398 4.120 -0.000 0.000 0.287 142 V C -0.277 175.696 176.094 -0.201 0.000 1.017 142 V CA -0.340 61.754 62.300 -0.344 0.000 0.844 142 V CB 1.594 33.043 31.823 -0.623 0.000 1.011 142 V HN 0.470 nan 8.190 nan 0.000 0.429 143 S N 2.835 118.443 115.700 -0.153 0.000 2.472 143 S HA 0.698 5.168 4.470 -0.000 0.000 0.303 143 S C 0.062 174.605 174.600 -0.094 0.000 1.099 143 S CA -0.510 57.629 58.200 -0.103 0.000 1.077 143 S CB 1.699 64.853 63.200 -0.076 0.000 1.031 143 S HN 0.904 nan 8.310 nan 0.000 0.487 152 N N -0.164 118.524 118.700 -0.021 0.000 2.384 152 N HA 0.796 5.536 4.740 -0.000 0.000 0.301 152 N C -0.243 175.243 175.510 -0.040 0.000 1.133 152 N CA 0.390 53.423 53.050 -0.028 0.000 0.853 152 N CB 2.318 40.786 38.487 -0.031 0.000 1.241 152 N HN 1.355 nan 8.380 nan 0.000 0.502 153 T N -2.257 112.273 114.554 -0.041 0.000 2.924 153 T HA 0.628 4.978 4.350 -0.000 0.000 0.291 153 T C -0.944 173.721 174.700 -0.058 0.000 1.045 153 T CA -0.652 61.418 62.100 -0.050 0.000 1.015 153 T CB 0.993 69.843 68.868 -0.030 0.000 1.103 153 T HN 0.258 nan 8.240 nan 0.000 0.496 154 V N 3.127 123.002 119.914 -0.065 0.000 2.407 154 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 154 V C -0.184 175.870 176.094 -0.067 0.000 1.018 154 V CA -0.846 61.411 62.300 -0.072 0.000 0.842 154 V CB 1.123 32.905 31.823 -0.069 0.000 0.996 154 V HN 0.828 nan 8.190 nan 0.000 0.426 155 L N 3.073 124.247 121.223 -0.081 0.000 2.360 155 L HA 0.565 4.905 4.340 -0.000 0.000 0.271 155 L C 0.111 176.939 176.870 -0.070 0.000 1.057 155 L CA -0.530 54.274 54.840 -0.060 0.000 0.803 155 L CB 1.239 43.268 42.059 -0.050 0.000 1.207 155 L HN 0.602 nan 8.230 nan 0.000 0.445 156 D N 1.498 121.876 120.400 -0.036 0.000 2.973 156 D HA 0.393 5.033 4.640 -0.000 0.000 0.263 156 D C -0.045 176.253 176.300 -0.004 0.000 1.266 156 D CA -0.235 53.750 54.000 -0.025 0.000 0.975 156 D CB 0.489 41.281 40.800 -0.013 0.000 1.032 156 D HN 0.580 nan 8.370 nan 0.000 0.510 157 A N 1.541 124.354 122.820 -0.010 0.000 2.304 157 A HA 0.525 4.845 4.320 -0.000 0.000 0.271 157 A C 0.220 177.867 177.584 0.105 0.000 1.091 157 A CA -0.587 51.487 52.037 0.062 0.000 0.812 157 A CB 0.421 19.477 19.000 0.094 0.000 1.056 157 A HN 0.522 nan 8.150 nan 0.000 0.489 158 I N 1.152 121.793 120.570 0.118 0.000 2.416 158 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 158 I C 0.721 176.943 176.117 0.174 0.000 1.051 158 I CA 0.226 61.592 61.300 0.109 0.000 1.375 158 I CB 0.844 38.884 38.000 0.067 0.000 1.407 158 I HN 0.708 nan 8.210 nan 0.000 0.516 159 Q N 4.711 124.611 119.800 0.166 0.000 2.230 159 Q HA 0.461 4.801 4.340 -0.000 0.000 0.253 159 Q C -0.721 175.267 176.000 -0.019 0.000 0.919 159 Q CA -0.304 55.557 55.803 0.096 0.000 0.908 159 Q CB 1.696 30.529 28.738 0.159 0.000 1.245 159 Q HN 0.684 nan 8.270 nan 0.000 0.437 160 T N 1.825 116.309 114.554 -0.116 0.000 2.923 160 T HA 0.154 4.504 4.350 -0.000 0.000 0.311 160 T C -0.293 174.333 174.700 -0.124 0.000 1.183 160 T CA -0.627 61.419 62.100 -0.090 0.000 1.020 160 T CB 1.410 70.243 68.868 -0.058 0.000 1.165 160 T HN 0.627 nan 8.240 nan 0.000 0.482 161 D N 2.137 122.489 120.400 -0.080 0.000 2.219 161 D HA 0.177 4.817 4.640 -0.000 0.000 0.205 161 D C 1.114 177.378 176.300 -0.060 0.000 0.970 161 D CA 0.907 54.866 54.000 -0.068 0.000 0.851 161 D CB -0.187 40.588 40.800 -0.043 0.000 0.943 161 D HN 0.787 nan 8.370 nan 0.000 0.488 162 A N 0.521 123.310 122.820 -0.052 0.000 2.548 162 A HA 0.380 4.700 4.320 -0.000 0.000 0.247 162 A C 0.502 178.057 177.584 -0.049 0.000 1.067 162 A CA 0.217 52.230 52.037 -0.041 0.000 0.757 162 A CB -0.043 18.938 19.000 -0.031 0.000 0.996 162 A HN 0.216 nan 8.150 nan 0.000 0.504 163 A N 3.345 126.141 122.820 -0.040 0.000 2.540 163 A HA 0.396 4.716 4.320 -0.000 0.000 0.264 163 A C 0.076 177.638 177.584 -0.036 0.000 1.080 163 A CA 0.549 52.562 52.037 -0.039 0.000 0.776 163 A CB -0.670 18.313 19.000 -0.028 0.000 1.011 163 A HN 0.728 nan 8.150 nan 0.000 0.514 164 I N 3.919 124.462 120.570 -0.045 0.000 2.466 164 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 164 I C -0.221 175.880 176.117 -0.028 0.000 1.026 164 I CA -0.437 60.842 61.300 -0.035 0.000 1.078 164 I CB 1.829 39.801 38.000 -0.047 0.000 1.249 164 I HN 0.660 nan 8.210 nan 0.000 0.429 165 N N 5.833 124.526 118.700 -0.011 0.000 2.509 165 N HA 0.480 5.220 4.740 -0.000 0.000 0.280 165 N C -2.761 172.755 175.510 0.010 0.000 1.306 165 N CA -1.643 51.404 53.050 -0.004 0.000 0.782 165 N CB 2.227 40.711 38.487 -0.005 0.000 1.493 165 N HN 0.108 nan 8.380 nan 0.000 0.498 166 P HA -0.001 nan 4.420 nan 0.000 0.257 166 P C 0.692 178.007 177.300 0.025 0.000 1.162 166 P CA 1.276 64.391 63.100 0.025 0.000 0.762 166 P CB 0.003 31.713 31.700 0.017 0.000 0.753 167 G N 3.558 112.380 108.800 0.037 0.000 2.259 167 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 167 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 167 G C 1.292 176.200 174.900 0.013 0.000 1.001 167 G CA -0.099 45.014 45.100 0.023 0.000 0.627 167 G HN 0.485 nan 8.290 nan 0.000 0.501 168 N N 1.039 119.750 118.700 0.018 0.000 2.331 168 N HA 0.020 4.760 4.740 -0.000 0.000 0.180 168 N C 0.892 176.411 175.510 0.014 0.000 1.019 168 N CA 0.981 54.038 53.050 0.010 0.000 0.881 168 N CB -0.123 38.368 38.487 0.008 0.000 0.972 168 N HN 0.424 nan 8.380 nan 0.000 0.435 169 S N -0.011 115.716 115.700 0.045 0.000 2.737 169 S HA 0.216 4.686 4.470 -0.000 0.000 0.315 169 S C 1.365 175.934 174.600 -0.052 0.000 1.236 169 S CA 0.661 58.890 58.200 0.048 0.000 1.093 169 S CB 0.132 63.444 63.200 0.187 0.000 0.832 169 S HN 0.589 nan 8.310 nan 0.000 0.507 170 G N 2.507 111.271 108.800 -0.061 0.000 2.176 170 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.232 170 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.232 170 G C 0.339 175.196 174.900 -0.071 0.000 0.986 170 G CA -0.242 44.800 45.100 -0.096 0.000 0.643 170 G HN 1.075 nan 8.290 nan 0.000 0.522 171 G N -0.294 108.480 108.800 -0.045 0.000 2.537 171 G HA2 0.793 4.753 3.960 -0.000 0.000 0.297 171 G HA3 0.793 4.753 3.960 -0.000 0.000 0.297 171 G C 0.259 175.146 174.900 -0.021 0.000 1.310 171 G CA 0.301 45.380 45.100 -0.035 0.000 1.027 171 G HN 1.488 nan 8.290 nan 0.000 0.505 172 A N -0.870 121.940 122.820 -0.016 0.000 2.309 172 A HA 0.622 4.942 4.320 -0.000 0.000 0.298 172 A C -0.826 176.755 177.584 -0.005 0.000 1.165 172 A CA -0.395 51.636 52.037 -0.009 0.000 0.821 172 A CB 1.187 20.183 19.000 -0.007 0.000 1.102 172 A HN 0.699 nan 8.150 nan 0.000 0.500 173 L N 3.975 125.198 121.223 -0.001 0.000 2.305 173 L HA 0.644 4.984 4.340 -0.000 0.000 0.284 173 L C -0.256 176.615 176.870 0.002 0.000 1.013 173 L CA -0.291 54.549 54.840 0.000 0.000 0.819 173 L CB 1.600 43.662 42.059 0.005 0.000 1.227 173 L HN 0.708 nan 8.230 nan 0.000 0.417 174 V N 2.390 122.304 119.914 0.000 0.000 2.769 174 V HA 0.741 4.861 4.120 -0.000 0.000 0.312 174 V C -0.270 175.825 176.094 0.001 0.000 1.061 174 V CA -0.801 61.500 62.300 0.001 0.000 0.931 174 V CB 1.677 33.501 31.823 0.001 0.000 1.010 174 V HN 0.894 nan 8.190 nan 0.000 0.433 178 A N 0.844 123.665 122.820 0.003 0.000 2.832 178 A HA -0.282 4.038 4.320 -0.000 0.000 0.280 178 A C 0.105 177.691 177.584 0.004 0.000 1.464 178 A CA 1.273 53.312 52.037 0.004 0.000 0.804 178 A CB -1.919 17.084 19.000 0.004 0.000 1.020 178 A HN 0.461 nan 8.150 nan 0.000 0.563 179 Q N -1.378 118.424 119.800 0.004 0.000 2.274 179 Q HA 0.638 4.978 4.340 -0.000 0.000 0.260 179 Q C -0.120 175.882 176.000 0.004 0.000 0.974 179 Q CA -1.104 54.702 55.803 0.004 0.000 0.876 179 Q CB 1.635 30.376 28.738 0.004 0.000 1.297 179 Q HN 0.586 nan 8.270 nan 0.000 0.446 180 L N 3.289 124.515 121.223 0.004 0.000 2.513 180 L HA -0.046 4.294 4.340 -0.000 0.000 0.272 180 L C 0.419 177.291 176.870 0.005 0.000 1.187 180 L CA 0.689 55.531 54.840 0.003 0.000 0.895 180 L CB 0.805 42.865 42.059 0.002 0.000 1.147 180 L HN 0.714 nan 8.230 nan 0.000 0.483 181 V N 1.730 121.648 119.914 0.006 0.000 3.562 181 V HA 0.716 4.835 4.120 -0.000 0.000 0.270 181 V C 0.556 176.657 176.094 0.013 0.000 1.418 181 V CA 0.563 62.868 62.300 0.009 0.000 1.033 181 V CB -0.010 31.818 31.823 0.009 0.000 0.820 181 V HN 0.841 nan 8.190 nan 0.000 0.441 182 G N -0.502 108.306 108.800 0.012 0.000 2.673 182 G HA2 0.560 4.520 3.960 -0.000 0.000 0.292 182 G HA3 0.560 4.520 3.960 -0.000 0.000 0.292 182 G C -1.842 173.066 174.900 0.013 0.000 1.450 182 G CA -0.406 44.704 45.100 0.017 0.000 0.837 182 G HN 0.220 nan 8.290 nan 0.000 0.505 183 V N 2.160 122.084 119.914 0.016 0.000 2.328 183 V HA 0.285 4.405 4.120 -0.000 0.000 0.278 183 V C -0.364 175.745 176.094 0.026 0.000 1.021 183 V CA -1.314 60.992 62.300 0.010 0.000 0.838 183 V CB 1.124 32.947 31.823 -0.001 0.000 0.999 183 V HN 0.624 nan 8.190 nan 0.000 0.447 184 N N 3.379 122.092 118.700 0.020 0.000 2.440 184 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 184 N C 0.694 176.241 175.510 0.061 0.000 1.239 184 N CA 0.184 53.256 53.050 0.037 0.000 0.909 184 N CB 1.581 40.079 38.487 0.018 0.000 1.066 184 N HN 0.687 nan 8.380 nan 0.000 0.474 185 S N 0.172 115.934 115.700 0.105 0.000 2.818 185 S HA 0.406 4.876 4.470 -0.000 0.000 0.251 185 S C 0.251 174.969 174.600 0.196 0.000 1.083 185 S CA -0.109 58.188 58.200 0.161 0.000 0.871 185 S CB 0.749 64.035 63.200 0.143 0.000 0.831 185 S HN 0.766 nan 8.310 nan 0.000 0.470 186 A N 1.331 124.258 122.820 0.178 0.000 2.610 186 A HA 0.825 5.145 4.320 -0.000 0.000 0.291 186 A C -1.704 176.008 177.584 0.214 0.000 1.086 186 A CA -0.859 51.283 52.037 0.176 0.000 0.677 186 A CB 0.851 19.953 19.000 0.169 0.000 1.278 186 A HN 0.485 nan 8.150 nan 0.000 0.414 187 I N -2.012 118.661 120.570 0.172 0.000 2.865 187 I HA 0.873 5.043 4.170 -0.000 0.000 0.302 187 I C 0.017 176.243 176.117 0.181 0.000 1.140 187 I CA -1.125 60.221 61.300 0.076 0.000 1.021 187 I CB 2.098 40.083 38.000 -0.026 0.000 1.233 187 I HN 0.942 nan 8.210 nan 0.000 0.427 188 A N 3.282 126.197 122.820 0.158 0.000 2.388 188 A HA 0.744 5.064 4.320 -0.000 0.000 0.257 188 A C 0.223 177.848 177.584 0.068 0.000 1.095 188 A CA 0.212 52.365 52.037 0.195 0.000 0.791 188 A CB 0.162 19.306 19.000 0.240 0.000 1.029 188 A HN 0.941 nan 8.150 nan 0.000 0.489 189 T N -0.224 114.366 114.554 0.060 0.000 2.804 189 T HA 0.724 5.074 4.350 -0.000 0.000 0.290 189 T C -0.338 174.377 174.700 0.025 0.000 1.099 189 T CA -0.687 61.431 62.100 0.029 0.000 1.011 189 T CB 0.607 69.485 68.868 0.018 0.000 1.291 189 T HN 0.369 nan 8.240 nan 0.000 0.523 200 G N 0.784 109.581 108.800 -0.005 0.000 2.552 200 G HA2 0.578 4.538 3.960 -0.000 0.000 0.318 200 G HA3 0.578 4.538 3.960 -0.000 0.000 0.318 200 G C -0.250 174.641 174.900 -0.016 0.000 1.240 200 G CA -0.350 44.745 45.100 -0.009 0.000 1.002 200 G HN 0.907 nan 8.290 nan 0.000 0.493 201 S N -0.993 114.694 115.700 -0.022 0.000 2.544 201 S HA 0.037 4.507 4.470 -0.000 0.000 0.290 201 S C 1.124 175.704 174.600 -0.034 0.000 1.276 201 S CA 0.005 58.184 58.200 -0.035 0.000 1.075 201 S CB -0.318 62.860 63.200 -0.037 0.000 0.849 201 S HN 0.620 nan 8.310 nan 0.000 0.494 202 I N 2.120 122.664 120.570 -0.044 0.000 3.947 202 I HA 0.527 4.697 4.170 -0.000 0.000 0.327 202 I C 1.054 177.138 176.117 -0.054 0.000 1.519 202 I CA -0.218 61.059 61.300 -0.039 0.000 1.122 202 I CB -0.039 37.946 38.000 -0.026 0.000 1.146 202 I HN 0.792 nan 8.210 nan 0.000 0.442 203 G N 2.172 110.929 108.800 -0.072 0.000 2.136 203 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 203 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 203 G C -0.111 174.710 174.900 -0.132 0.000 0.989 203 G CA 0.196 45.244 45.100 -0.085 0.000 0.682 203 G HN 0.405 nan 8.290 nan 0.000 0.522 204 L N 1.133 122.246 121.223 -0.184 0.000 2.445 204 L HA 0.628 4.968 4.340 -0.000 0.000 0.252 204 L C 0.820 177.325 176.870 -0.608 0.000 1.105 204 L CA -0.265 54.380 54.840 -0.326 0.000 0.943 204 L CB 1.129 43.069 42.059 -0.197 0.000 1.277 204 L HN 0.232 nan 8.230 nan 0.000 0.465 205 G N 0.838 109.258 108.800 -0.634 0.000 2.420 205 G HA2 0.757 4.717 3.960 -0.000 0.000 0.331 205 G HA3 0.757 4.717 3.960 -0.000 0.000 0.331 205 G C -1.319 173.150 174.900 -0.718 0.000 1.168 205 G CA -0.289 44.478 45.100 -0.556 0.000 0.936 205 G HN 0.113 nan 8.290 nan 0.000 0.479 206 F N 0.345 120.299 119.950 0.006 0.000 2.529 206 F HA 0.723 5.250 4.527 -0.000 0.000 0.320 206 F C 0.414 176.221 175.800 0.011 0.000 1.118 206 F CA -0.992 57.013 58.000 0.007 0.000 0.915 206 F CB 2.548 41.551 39.000 0.005 0.000 1.161 206 F HN 0.666 nan 8.300 nan 0.000 0.445 207 A N 3.372 126.306 122.820 0.189 0.000 2.374 207 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 207 A C -0.763 176.877 177.584 0.094 0.000 1.094 207 A CA -0.742 51.360 52.037 0.108 0.000 0.765 207 A CB 0.890 19.928 19.000 0.062 0.000 1.268 207 A HN 0.738 nan 8.150 nan 0.000 0.438 208 I N 2.829 123.439 120.570 0.066 0.000 2.452 208 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 208 I C -2.041 174.098 176.117 0.035 0.000 1.079 208 I CA -1.611 59.717 61.300 0.046 0.000 1.387 208 I CB 1.232 39.253 38.000 0.035 0.000 1.404 208 I HN 0.384 nan 8.210 nan 0.000 0.522 209 P HA -0.077 nan 4.420 nan 0.000 0.265 209 P C 0.899 178.210 177.300 0.019 0.000 1.193 209 P CA 0.137 63.252 63.100 0.025 0.000 0.765 209 P CB 0.790 32.504 31.700 0.023 0.000 0.823 210 V N 3.068 122.991 119.914 0.015 0.000 2.380 210 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 210 V C 1.367 177.467 176.094 0.010 0.000 1.063 210 V CA 2.302 64.608 62.300 0.010 0.000 1.055 210 V CB -0.814 31.014 31.823 0.008 0.000 0.657 210 V HN 0.489 nan 8.190 nan 0.000 0.455 211 D N -0.554 119.853 120.400 0.011 0.000 2.104 211 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 211 D C 2.266 178.573 176.300 0.011 0.000 0.994 211 D CA 1.813 55.819 54.000 0.010 0.000 0.830 211 D CB -0.281 40.525 40.800 0.010 0.000 0.959 211 D HN 0.623 nan 8.370 nan 0.000 0.452 212 Q N 0.188 119.996 119.800 0.015 0.000 2.046 212 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 212 Q C 2.276 178.287 176.000 0.018 0.000 0.975 212 Q CA 1.415 57.230 55.803 0.019 0.000 0.836 212 Q CB -0.169 28.583 28.738 0.022 0.000 0.896 212 Q HN 0.239 nan 8.270 nan 0.000 0.428 213 A N 1.697 124.526 122.820 0.015 0.000 1.908 213 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 213 A C 2.027 179.614 177.584 0.005 0.000 1.181 213 A CA 1.945 53.988 52.037 0.010 0.000 0.627 213 A CB -0.497 18.506 19.000 0.006 0.000 0.818 213 A HN 0.298 nan 8.150 nan 0.000 0.445 214 K N -0.386 120.017 120.400 0.005 0.000 2.062 214 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 214 K C 2.267 178.868 176.600 0.002 0.000 1.051 214 K CA 1.284 57.572 56.287 0.002 0.000 0.941 214 K CB -0.273 32.228 32.500 0.002 0.000 0.719 214 K HN 0.383 nan 8.250 nan 0.000 0.440 215 R N 0.785 121.288 120.500 0.004 0.000 2.094 215 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 215 R C 2.203 178.502 176.300 -0.001 0.000 1.137 215 R CA 2.173 58.274 56.100 0.002 0.000 0.943 215 R CB -0.381 29.922 30.300 0.005 0.000 0.850 215 R HN 0.314 nan 8.270 nan 0.000 0.433 216 I N 0.571 121.145 120.570 0.006 0.000 2.202 216 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 216 I C 2.631 178.748 176.117 -0.000 0.000 1.091 216 I CA 1.216 62.520 61.300 0.007 0.000 1.368 216 I CB -0.455 37.563 38.000 0.030 0.000 1.058 216 I HN 0.324 nan 8.210 nan 0.000 0.410 217 A N 0.542 123.361 122.820 -0.001 0.000 1.940 217 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 217 A C 1.945 179.525 177.584 -0.006 0.000 1.176 217 A CA 2.151 54.184 52.037 -0.006 0.000 0.631 217 A CB -0.584 18.411 19.000 -0.009 0.000 0.814 217 A HN 0.353 nan 8.150 nan 0.000 0.446 218 D N -0.401 119.996 120.400 -0.006 0.000 2.117 218 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 218 D C 1.958 178.252 176.300 -0.009 0.000 0.982 218 D CA 1.389 55.385 54.000 -0.006 0.000 0.828 218 D CB -0.379 40.417 40.800 -0.006 0.000 0.967 218 D HN 0.648 nan 8.370 nan 0.000 0.464 219 E N 0.154 120.346 120.200 -0.014 0.000 2.110 219 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 219 E C 2.332 178.921 176.600 -0.018 0.000 0.988 219 E CA 0.430 56.817 56.400 -0.021 0.000 0.804 219 E CB -0.031 29.647 29.700 -0.036 0.000 0.745 219 E HN 0.260 nan 8.360 nan 0.000 0.458 220 L N 0.472 121.688 121.223 -0.012 0.000 2.093 220 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 220 L C 2.388 179.256 176.870 -0.003 0.000 1.085 220 L CA 0.830 55.666 54.840 -0.006 0.000 0.755 220 L CB -0.282 41.775 42.059 -0.002 0.000 0.904 220 L HN 0.158 nan 8.230 nan 0.000 0.435 221 I N -0.483 120.085 120.570 -0.003 0.000 2.202 221 I HA -0.275 3.894 4.170 -0.000 0.000 0.242 221 I C 2.777 178.895 176.117 0.000 0.000 1.091 221 I CA 1.681 62.981 61.300 0.000 0.000 1.368 221 I CB -0.182 37.817 38.000 -0.000 0.000 1.058 221 I HN 0.330 nan 8.210 nan 0.000 0.410 222 S N -1.131 114.567 115.700 -0.003 0.000 2.388 222 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 222 S C 1.829 176.426 174.600 -0.004 0.000 1.034 222 S CA 1.266 59.464 58.200 -0.004 0.000 0.963 222 S CB -0.324 62.873 63.200 -0.005 0.000 0.827 222 S HN 0.308 nan 8.310 nan 0.000 0.481 223 T N -0.114 114.435 114.554 -0.008 0.000 2.990 223 T HA 0.492 4.842 4.350 -0.000 0.000 0.249 223 T C 1.462 176.158 174.700 -0.007 0.000 1.039 223 T CA 0.564 62.658 62.100 -0.010 0.000 1.036 223 T CB 0.186 69.044 68.868 -0.018 0.000 0.994 223 T HN 0.834 nan 8.240 nan 0.000 0.489 224 G N 1.186 109.983 108.800 -0.004 0.000 2.225 224 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.254 224 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.254 224 G C 0.172 175.071 174.900 -0.001 0.000 0.988 224 G CA 0.566 45.667 45.100 0.001 0.000 0.625 224 G HN 0.944 nan 8.290 nan 0.000 0.527 225 K N -0.743 119.650 120.400 -0.012 0.000 2.477 225 K HA 1.058 5.378 4.320 -0.000 0.000 0.255 225 K C -0.317 176.253 176.600 -0.049 0.000 0.952 225 K CA 0.453 56.728 56.287 -0.020 0.000 0.826 225 K CB 1.813 34.301 32.500 -0.020 0.000 1.331 225 K HN 1.937 nan 8.250 nan 0.000 0.437 226 A N 0.944 123.718 122.820 -0.077 0.000 2.340 226 A HA 0.804 5.124 4.320 -0.000 0.000 0.331 226 A C 0.200 177.558 177.584 -0.376 0.000 1.140 226 A CA 0.059 52.002 52.037 -0.157 0.000 0.801 226 A CB 0.770 19.718 19.000 -0.088 0.000 1.234 226 A HN 1.645 nan 8.150 nan 0.000 0.469 227 S N 1.272 116.740 115.700 -0.386 0.000 2.593 227 S HA 0.776 5.246 4.470 -0.000 0.000 0.297 227 S C -0.605 173.654 174.600 -0.567 0.000 1.112 227 S CA -0.738 57.183 58.200 -0.464 0.000 1.043 227 S CB 0.844 63.928 63.200 -0.193 0.000 1.054 227 S HN 0.712 nan 8.310 nan 0.000 0.516 228 H N 0.239 119.309 119.070 -0.000 0.000 2.622 228 H HA 0.636 5.192 4.556 -0.000 0.000 0.363 228 H C -0.062 175.265 175.328 -0.002 0.000 1.151 228 H CA -0.699 55.348 56.048 -0.001 0.000 1.184 228 H CB 1.618 31.380 29.762 -0.001 0.000 1.643 228 H HN 0.937 nan 8.280 nan 0.000 0.531 229 A N 2.072 124.960 122.820 0.113 0.000 2.440 229 A HA 0.386 4.706 4.320 -0.000 0.000 0.251 229 A C 0.488 178.108 177.584 0.060 0.000 1.089 229 A CA -0.103 51.971 52.037 0.061 0.000 0.779 229 A CB -0.057 18.968 19.000 0.041 0.000 1.022 229 A HN 0.732 nan 8.150 nan 0.000 0.492 230 S N 1.960 117.684 115.700 0.040 0.000 2.566 230 S HA 0.618 5.088 4.470 -0.000 0.000 0.298 230 S C 0.280 174.890 174.600 0.017 0.000 1.083 230 S CA -0.717 57.501 58.200 0.029 0.000 0.978 230 S CB 1.457 64.675 63.200 0.030 0.000 1.073 230 S HN 0.664 nan 8.310 nan 0.000 0.491 231 L N 1.645 122.875 121.223 0.011 0.000 2.515 231 L HA 0.355 4.695 4.340 -0.000 0.000 0.223 231 L C 1.498 178.371 176.870 0.006 0.000 1.079 231 L CA 0.732 55.576 54.840 0.007 0.000 0.857 231 L CB -0.193 41.868 42.059 0.003 0.000 1.050 231 L HN 1.247 nan 8.230 nan 0.000 0.476 232 G N 1.185 109.988 108.800 0.006 0.000 2.182 232 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 232 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 232 G C -0.075 174.826 174.900 0.002 0.000 1.042 232 G CA 0.346 45.449 45.100 0.005 0.000 0.775 232 G HN 0.391 nan 8.290 nan 0.000 0.501 233 V N -5.074 114.841 119.914 0.000 0.000 2.914 233 V HA 1.060 5.180 4.120 -0.000 0.000 0.314 233 V C -0.139 175.953 176.094 -0.004 0.000 1.084 233 V CA -0.082 62.217 62.300 -0.002 0.000 0.963 233 V CB 1.534 33.356 31.823 -0.003 0.000 1.025 233 V HN 1.589 nan 8.190 nan 0.000 0.432 234 Q N 1.725 121.522 119.800 -0.005 0.000 2.256 234 Q HA 0.841 5.181 4.340 -0.000 0.000 0.257 234 Q C -0.440 175.555 176.000 -0.008 0.000 0.936 234 Q CA -0.194 55.605 55.803 -0.007 0.000 0.903 234 Q CB 1.637 30.371 28.738 -0.006 0.000 1.263 234 Q HN 2.361 nan 8.270 nan 0.000 0.440 235 V N -2.370 117.538 119.914 -0.010 0.000 2.876 235 V HA 1.051 5.171 4.120 -0.000 0.000 0.312 235 V C 0.080 176.167 176.094 -0.012 0.000 1.085 235 V CA 0.173 62.467 62.300 -0.010 0.000 0.945 235 V CB 1.305 33.122 31.823 -0.011 0.000 1.017 235 V HN 1.400 nan 8.190 nan 0.000 0.428 236 T N 2.123 116.671 114.554 -0.010 0.000 2.768 236 T HA 0.810 5.160 4.350 -0.000 0.000 0.268 236 T C -0.100 174.593 174.700 -0.011 0.000 0.969 236 T CA -0.735 61.358 62.100 -0.011 0.000 1.008 236 T CB 0.803 nan 68.868 nan 0.000 1.371 236 T HN 0.847 nan 8.240 nan 0.000 0.587 243 G N 0.043 108.839 108.800 -0.006 0.000 2.345 243 G HA2 0.769 4.729 3.960 -0.000 0.000 0.285 243 G HA3 0.769 4.729 3.960 -0.000 0.000 0.285 243 G C -0.250 174.645 174.900 -0.008 0.000 1.297 243 G CA 0.089 45.185 45.100 -0.007 0.000 0.875 243 G HN 2.339 nan 8.290 nan 0.000 0.506 244 A N -0.107 122.708 122.820 -0.009 0.000 2.310 244 A HA 0.787 5.107 4.320 -0.000 0.000 0.300 244 A C 0.537 178.116 177.584 -0.008 0.000 1.269 244 A CA 0.920 52.952 52.037 -0.010 0.000 0.909 244 A CB -0.364 18.630 19.000 -0.011 0.000 1.144 244 A HN 1.926 nan 8.150 nan 0.000 0.540 245 K N 3.128 123.524 120.400 -0.008 0.000 2.234 245 K HA 0.598 4.918 4.320 -0.000 0.000 0.282 245 K C -0.447 176.149 176.600 -0.006 0.000 1.039 245 K CA -0.370 55.913 56.287 -0.006 0.000 0.928 245 K CB 0.315 32.811 32.500 -0.006 0.000 1.039 245 K HN 0.704 nan 8.250 nan 0.000 0.470 246 I N 3.342 123.909 120.570 -0.005 0.000 2.322 246 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 246 I C 1.898 178.013 176.117 -0.004 0.000 1.060 246 I CA -0.242 61.056 61.300 -0.005 0.000 1.309 246 I CB 0.898 38.896 38.000 -0.004 0.000 1.415 246 I HN 0.662 nan 8.210 nan 0.000 0.492 247 V N 5.014 124.925 119.914 -0.005 0.000 2.273 247 V HA -0.016 4.104 4.120 -0.000 0.000 0.242 247 V C 1.102 177.194 176.094 -0.003 0.000 1.035 247 V CA 2.254 64.551 62.300 -0.004 0.000 1.013 247 V CB -0.552 31.268 31.823 -0.005 0.000 0.652 247 V HN 0.730 nan 8.190 nan 0.000 0.452 248 E N -1.522 118.676 120.200 -0.003 0.000 2.359 248 E HA 0.755 5.105 4.350 -0.000 0.000 0.266 248 E C -1.051 175.548 176.600 -0.002 0.000 0.920 248 E CA 0.083 56.482 56.400 -0.002 0.000 0.788 248 E CB 2.051 nan 29.700 nan 0.000 1.279 248 E HN 0.720 nan 8.360 nan 0.000 0.438 254 A N -0.958 121.864 122.820 0.004 0.000 2.498 254 A HA 0.856 5.176 4.320 -0.000 0.000 0.238 254 A C 1.032 178.618 177.584 0.004 0.000 1.225 254 A CA 1.567 53.607 52.037 0.005 0.000 0.978 254 A CB 0.021 nan 19.000 nan 0.000 1.142 254 A HN 2.114 nan 8.150 nan 0.000 0.552 261 P HA 0.568 nan 4.420 nan 0.000 0.284 261 P C -0.006 177.293 177.300 -0.001 0.000 1.258 261 P CA -0.462 62.638 63.100 -0.001 0.000 0.824 261 P CB 0.904 32.604 31.700 -0.001 0.000 1.038 262 K N 0.695 121.094 120.400 -0.001 0.000 2.652 262 K HA 0.483 4.802 4.320 -0.000 0.000 0.239 262 K C 0.640 177.239 176.600 -0.002 0.000 1.235 262 K CA 0.192 56.478 56.287 -0.002 0.000 1.191 262 K CB -1.432 31.067 32.500 -0.001 0.000 1.348 262 K HN 1.033 nan 8.250 nan 0.000 0.239 263 G N -1.609 107.189 108.800 -0.002 0.000 2.145 263 G HA2 0.566 4.526 3.960 -0.000 0.000 0.174 263 G HA3 0.566 4.526 3.960 -0.000 0.000 0.174 263 G C -0.660 174.238 174.900 -0.002 0.000 1.726 263 G CA 0.295 45.393 45.100 -0.002 0.000 1.080 263 G HN 1.551 nan 8.290 nan 0.000 0.606 264 V N -0.847 119.065 119.914 -0.003 0.000 3.225 264 V HA 1.009 5.129 4.120 -0.000 0.000 0.298 264 V C -0.844 175.248 176.094 -0.003 0.000 1.674 264 V CA -0.340 61.959 62.300 -0.003 0.000 1.015 264 V CB 1.064 nan 31.823 nan 0.000 1.104 264 V HN 2.228 nan 8.190 nan 0.000 0.482 265 V N 0.413 120.325 119.914 -0.003 0.000 2.443 265 V HA 0.748 4.868 4.120 -0.000 0.000 0.293 265 V C -0.158 175.934 176.094 -0.004 0.000 1.021 265 V CA -1.165 61.133 62.300 -0.004 0.000 0.848 265 V CB 1.302 nan 31.823 nan 0.000 0.998 265 V HN 1.286 nan 8.190 nan 0.000 0.424 266 V N 4.378 124.290 119.914 -0.004 0.000 2.732 266 V HA 0.577 4.697 4.120 -0.000 0.000 0.297 266 V C 1.321 177.412 176.094 -0.004 0.000 1.060 266 V CA 0.884 63.181 62.300 -0.004 0.000 1.038 266 V CB 1.168 32.988 31.823 -0.005 0.000 1.003 266 V HN 1.134 nan 8.190 nan 0.000 0.481 267 T N 0.406 114.958 114.554 -0.003 0.000 3.358 267 T HA 0.379 4.729 4.350 -0.000 0.000 0.263 267 T C 0.513 175.211 174.700 -0.003 0.000 0.998 267 T CA 0.536 62.634 62.100 -0.003 0.000 1.130 267 T CB 0.169 69.036 68.868 -0.002 0.000 1.165 267 T HN 0.818 nan 8.240 nan 0.000 0.426 268 K N 1.056 121.455 120.400 -0.002 0.000 2.318 268 K HA 0.819 5.139 4.320 -0.000 0.000 0.249 268 K C -0.857 175.742 176.600 -0.001 0.000 0.942 268 K CA -0.770 55.516 56.287 -0.002 0.000 0.808 268 K CB 2.003 34.502 32.500 -0.001 0.000 1.189 268 K HN 0.319 nan 8.250 nan 0.000 0.428 269 V N 4.061 123.975 119.914 -0.001 0.000 2.266 269 V HA 0.280 4.400 4.120 -0.000 0.000 0.271 269 V C -0.399 175.696 176.094 0.000 0.000 1.032 269 V CA -0.291 62.008 62.300 -0.001 0.000 0.806 269 V CB -0.551 31.271 31.823 -0.001 0.000 1.052 269 V HN 1.217 nan 8.190 nan 0.000 0.449 273 P HA 0.352 nan 4.420 nan 0.000 0.267 273 P C -0.117 177.181 177.300 -0.003 0.000 1.205 273 P CA -0.314 62.785 63.100 -0.001 0.000 0.765 273 P CB 0.606 32.306 31.700 0.000 0.000 0.828 274 I N -0.516 120.051 120.570 -0.004 0.000 2.362 274 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 274 I C 0.431 176.543 176.117 -0.008 0.000 0.994 274 I CA 0.101 61.397 61.300 -0.007 0.000 1.158 274 I CB 1.368 39.363 38.000 -0.009 0.000 1.315 274 I HN 0.164 nan 8.210 nan 0.000 0.451 275 N N 3.252 121.946 118.700 -0.009 0.000 2.392 275 N HA 0.061 4.801 4.740 -0.000 0.000 0.177 275 N C 0.017 175.520 175.510 -0.011 0.000 1.066 275 N CA 0.511 53.556 53.050 -0.009 0.000 0.895 275 N CB 0.349 38.832 38.487 -0.008 0.000 0.988 275 N HN 0.883 nan 8.380 nan 0.000 0.457 276 S N -1.334 114.358 115.700 -0.014 0.000 2.752 276 S HA 0.599 5.069 4.470 -0.000 0.000 0.284 276 S C 0.723 175.313 174.600 -0.018 0.000 1.189 276 S CA -0.468 57.722 58.200 -0.016 0.000 0.835 276 S CB 1.264 64.452 63.200 -0.020 0.000 1.192 276 S HN -0.034 nan 8.310 nan 0.000 0.506 277 A N 0.952 123.761 122.820 -0.019 0.000 1.883 277 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 277 A C 1.587 179.155 177.584 -0.026 0.000 1.186 277 A CA 2.241 54.265 52.037 -0.020 0.000 0.624 277 A CB -1.479 17.509 19.000 -0.020 0.000 0.822 277 A HN 0.809 nan 8.150 nan 0.000 0.444 278 D N 0.008 120.389 120.400 -0.032 0.000 2.149 278 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 278 D C 2.170 178.446 176.300 -0.041 0.000 0.990 278 D CA 1.456 55.432 54.000 -0.042 0.000 0.839 278 D CB -0.414 40.354 40.800 -0.053 0.000 0.948 278 D HN 0.443 nan 8.370 nan 0.000 0.460 279 A N 0.434 123.234 122.820 -0.034 0.000 1.902 279 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 279 A C 2.137 179.707 177.584 -0.023 0.000 1.181 279 A CA 1.045 53.065 52.037 -0.029 0.000 0.623 279 A CB -0.662 18.324 19.000 -0.022 0.000 0.818 279 A HN 0.263 nan 8.150 nan 0.000 0.443 280 L N -0.047 121.165 121.223 -0.020 0.000 2.027 280 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 280 L C 2.386 179.246 176.870 -0.017 0.000 1.074 280 L CA 1.869 56.700 54.840 -0.015 0.000 0.745 280 L CB -0.489 41.562 42.059 -0.012 0.000 0.898 280 L HN 0.156 nan 8.230 nan 0.000 0.433 281 V N 0.335 120.235 119.914 -0.023 0.000 2.332 281 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 281 V C 2.817 178.894 176.094 -0.029 0.000 1.055 281 V CA 1.734 64.017 62.300 -0.027 0.000 1.038 281 V CB -1.708 30.094 31.823 -0.035 0.000 0.651 281 V HN 0.604 nan 8.190 nan 0.000 0.450 282 A N 0.198 122.998 122.820 -0.033 0.000 1.858 282 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 282 A C 2.463 180.035 177.584 -0.019 0.000 1.190 282 A CA 2.309 54.326 52.037 -0.033 0.000 0.617 282 A CB -0.962 18.011 19.000 -0.044 0.000 0.827 282 A HN 0.598 nan 8.150 nan 0.000 0.443 283 A N -0.684 122.127 122.820 -0.015 0.000 1.908 283 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 283 A C 2.199 179.782 177.584 -0.001 0.000 1.181 283 A CA 1.829 53.862 52.037 -0.007 0.000 0.627 283 A CB -0.979 18.017 19.000 -0.007 0.000 0.818 283 A HN 0.439 nan 8.150 nan 0.000 0.445 284 V N -0.474 119.439 119.914 -0.002 0.000 2.594 284 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 284 V C 2.608 178.710 176.094 0.013 0.000 1.069 284 V CA 2.208 64.511 62.300 0.005 0.000 1.082 284 V CB -0.750 31.075 31.823 0.003 0.000 0.680 284 V HN 0.444 nan 8.190 nan 0.000 0.469 285 R N -0.267 120.238 120.500 0.008 0.000 2.240 285 R HA 0.089 4.429 4.340 -0.000 0.000 0.203 285 R C 2.193 178.505 176.300 0.021 0.000 1.011 285 R CA 0.784 56.896 56.100 0.019 0.000 1.007 285 R CB -0.620 29.682 30.300 0.003 0.000 0.911 285 R HN 0.404 nan 8.270 nan 0.000 0.468 286 S N 0.023 115.730 115.700 0.011 0.000 2.803 286 S HA 0.133 4.603 4.470 -0.000 0.000 0.226 286 S C 0.153 174.762 174.600 0.014 0.000 0.962 286 S CA 0.581 58.788 58.200 0.012 0.000 0.968 286 S CB -0.537 62.667 63.200 0.007 0.000 0.786 286 S HN 0.301 nan 8.310 nan 0.000 0.527 287 K N -0.177 120.235 120.400 0.019 0.000 2.508 287 K HA 0.870 5.189 4.320 -0.000 0.000 0.260 287 K C -0.660 175.954 176.600 0.023 0.000 0.949 287 K CA -0.290 56.007 56.287 0.017 0.000 0.834 287 K CB 1.170 33.678 32.500 0.014 0.000 1.365 287 K HN 0.391 nan 8.250 nan 0.000 0.437 288 A N 1.783 124.613 122.820 0.016 0.000 2.306 288 A HA 0.848 5.168 4.320 -0.000 0.000 0.330 288 A C -2.522 175.067 177.584 0.008 0.000 1.146 288 A CA -1.834 50.210 52.037 0.011 0.000 0.827 288 A CB 0.487 19.489 19.000 0.003 0.000 1.178 288 A HN 0.557 nan 8.150 nan 0.000 0.490 289 P HA 0.271 nan 4.420 nan 0.000 0.261 289 P C 0.453 177.754 177.300 0.000 0.000 1.173 289 P CA 2.198 65.300 63.100 0.002 0.000 0.760 289 P CB 0.270 31.965 31.700 -0.008 0.000 0.783 290 G N 2.337 111.139 108.800 0.003 0.000 2.905 290 G HA2 0.157 4.117 3.960 -0.000 0.000 0.245 290 G HA3 0.157 4.117 3.960 -0.000 0.000 0.245 290 G C -0.287 174.614 174.900 0.003 0.000 1.004 290 G CA -0.304 44.797 45.100 0.002 0.000 1.089 290 G HN 0.699 nan 8.290 nan 0.000 0.456 291 A N 2.152 124.974 122.820 0.004 0.000 2.319 291 A HA 1.099 5.419 4.320 -0.000 0.000 0.310 291 A C 0.746 178.332 177.584 0.003 0.000 1.152 291 A CA 0.962 53.002 52.037 0.004 0.000 0.783 291 A CB 1.013 20.016 19.000 0.006 0.000 1.184 291 A HN 2.290 nan 8.150 nan 0.000 0.474 312 G N 1.903 110.709 108.800 0.009 0.000 2.485 312 G HA2 0.653 4.613 3.960 -0.000 0.000 0.260 312 G HA3 0.653 4.613 3.960 -0.000 0.000 0.260 312 G C -0.589 174.318 174.900 0.012 0.000 1.459 312 G CA 0.199 45.304 45.100 0.009 0.000 1.060 312 G HN 0.726 nan 8.290 nan 0.000 0.546 313 K N -1.026 119.381 120.400 0.011 0.000 2.292 313 K HA 0.822 5.142 4.320 -0.000 0.000 0.257 313 K C 0.400 177.017 176.600 0.028 0.000 0.940 313 K CA -0.062 56.233 56.287 0.013 0.000 0.811 313 K CB 0.988 33.485 32.500 -0.005 0.000 1.120 313 K HN 1.511 nan 8.250 nan 0.000 0.428 314 A N 0.000 122.855 122.820 0.058 0.000 2.254 314 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 314 A CA 0.000 52.086 52.037 0.081 0.000 0.836 314 A CB 0.000 19.104 19.000 0.174 0.000 0.831 314 A HN 0.000 nan 8.150 nan 0.000 0.486