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 3oe7_1_S DATA FIRST_RESID 27 DATA SEQUENCE LNETGRVLAV GDGIARVFGL NNIQAEELVE FSSGVKGMAL NLEPGQVGIV DATA SEQUENCE LFGSDRLVKE GELVKRTGNI VDVPVGPGLL GRVVDALGNP IDGKGPIDAA DATA SEQUENCE GRSRAQVKAP GILPRRSVHE PVQTGLKAVD ALVPIGRGQR ELIIGDRQTG DATA SEQUENCE KTAVALDTIL NQKRWNNGSD ESKKLYCVYV AVGQKRSTVA QLVQTLEQHD DATA SEQUENCE AMKYSIIVAA TASEAAPLQY LAPFTAASIG EWFRDNGKHA LIVYDDLSKQ DATA SEQUENCE AVAYRQLSLL LRRPPGREAY PGDVFYLHSR LLERAAKLSE KEGSGSLTAL DATA SEQUENCE PVIETQGGDV SAYIPTNVIS ITDGQIFLEA ELFYKGIRPA INVGLSVSRV DATA SEQUENCE GSAAQVKALK QVAGSLKLFL AQYREVAAFA QXXXDLDAST KQTLVRGERL DATA SEQUENCE TQLLKQNQYS PLATEEQVPL IYAGVNGHLD GIELSRIGEF ESSFLSYLKS DATA SEQUENCE NHNELLTEIR EKGELSKELL ASLKSATESF VAT 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.823 176.870 -0.078 0.000 1.165 27 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 27 L CB 0.000 42.023 42.059 -0.059 0.000 0.961 28 N N 0.829 119.492 118.700 -0.061 0.000 2.223 28 N HA -0.114 4.626 4.740 0.000 0.000 0.185 28 N C 1.360 176.833 175.510 -0.061 0.000 1.016 28 N CA 1.375 54.386 53.050 -0.064 0.000 0.863 28 N CB 0.239 38.698 38.487 -0.046 0.000 0.983 28 N HN 0.363 nan 8.380 nan 0.000 0.429 29 E N -0.881 119.288 120.200 -0.051 0.000 2.447 29 E HA 0.089 4.439 4.350 0.000 0.000 0.204 29 E C 0.459 177.024 176.600 -0.058 0.000 0.977 29 E CA 0.332 56.702 56.400 -0.049 0.000 0.950 29 E CB 0.415 30.094 29.700 -0.035 0.000 0.975 29 E HN 0.375 nan 8.360 nan 0.000 0.496 30 T N -1.648 112.872 114.554 -0.057 0.000 2.942 30 T HA 0.773 5.123 4.350 0.000 0.000 0.289 30 T C 0.334 174.995 174.700 -0.066 0.000 1.044 30 T CA -0.695 61.370 62.100 -0.058 0.000 1.023 30 T CB 2.502 71.351 68.868 -0.032 0.000 1.123 30 T HN 0.003 nan 8.240 nan 0.000 0.512 31 G N -0.012 108.750 108.800 -0.063 0.000 2.680 31 G HA2 0.667 4.627 3.960 0.000 0.000 0.290 31 G HA3 0.667 4.627 3.960 0.000 0.000 0.290 31 G C -1.644 173.269 174.900 0.021 0.000 1.355 31 G CA -1.080 43.998 45.100 -0.038 0.000 0.903 31 G HN 0.669 nan 8.290 nan 0.000 0.474 32 R N -0.640 119.919 120.500 0.099 0.000 2.599 32 R HA 0.538 4.878 4.340 0.000 0.000 0.295 32 R C -0.356 176.020 176.300 0.127 0.000 0.963 32 R CA -0.680 55.490 56.100 0.117 0.000 0.883 32 R CB 1.926 32.313 30.300 0.145 0.000 1.171 32 R HN 0.358 nan 8.270 nan 0.000 0.450 33 V N 5.920 125.902 119.914 0.114 0.000 2.425 33 V HA 0.002 4.122 4.120 0.000 0.000 0.276 33 V C 1.482 177.628 176.094 0.087 0.000 1.017 33 V CA 0.338 62.712 62.300 0.123 0.000 1.062 33 V CB 0.229 32.137 31.823 0.141 0.000 0.997 33 V HN 0.724 nan 8.190 nan 0.000 0.476 34 L N 3.927 125.203 121.223 0.088 0.000 2.270 34 L HA 0.364 4.704 4.340 0.000 0.000 0.210 34 L C 0.960 177.851 176.870 0.035 0.000 1.104 34 L CA 1.000 55.870 54.840 0.051 0.000 0.804 34 L CB 0.195 42.291 42.059 0.061 0.000 0.937 34 L HN 0.825 nan 8.230 nan 0.000 0.450 35 A N -0.900 121.947 122.820 0.045 0.000 2.582 35 A HA 0.529 4.849 4.320 0.000 0.000 0.297 35 A C -1.723 175.877 177.584 0.027 0.000 1.059 35 A CA -0.379 51.673 52.037 0.026 0.000 0.705 35 A CB 1.498 20.507 19.000 0.016 0.000 1.279 35 A HN -0.235 nan 8.150 nan 0.000 0.404 36 V N 1.403 121.321 119.914 0.006 0.000 2.577 36 V HA 0.957 5.077 4.120 0.000 0.000 0.303 36 V C -0.054 176.023 176.094 -0.029 0.000 1.042 36 V CA 0.861 63.150 62.300 -0.018 0.000 0.872 36 V CB 1.535 33.332 31.823 -0.044 0.000 0.998 36 V HN 2.393 nan 8.190 nan 0.000 0.423 37 G N 3.791 112.570 108.800 -0.035 0.000 2.473 37 G HA2 0.490 4.450 3.960 0.000 0.000 0.298 37 G HA3 0.490 4.450 3.960 0.000 0.000 0.298 37 G C -0.813 174.066 174.900 -0.035 0.000 1.575 37 G CA 0.081 45.160 45.100 -0.034 0.000 0.846 37 G HN 0.871 nan 8.290 nan 0.000 0.585 38 D N -0.369 120.010 120.400 -0.035 0.000 3.017 38 D HA -0.179 4.461 4.640 0.000 0.000 0.220 38 D C 1.584 177.862 176.300 -0.038 0.000 1.141 38 D CA 2.456 56.436 54.000 -0.033 0.000 0.848 38 D CB -1.270 39.511 40.800 -0.032 0.000 1.102 38 D HN 2.309 nan 8.370 nan 0.000 0.427 39 G N -0.537 108.236 108.800 -0.046 0.000 2.168 39 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 39 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 39 G C 0.200 175.065 174.900 -0.058 0.000 0.997 39 G CA 0.619 45.687 45.100 -0.053 0.000 0.708 39 G HN 0.512 nan 8.290 nan 0.000 0.520 40 I N 0.207 120.746 120.570 -0.052 0.000 2.465 40 I HA 0.715 4.885 4.170 0.000 0.000 0.291 40 I C 0.310 176.415 176.117 -0.020 0.000 1.014 40 I CA -1.245 60.033 61.300 -0.037 0.000 1.093 40 I CB 1.499 39.480 38.000 -0.032 0.000 1.267 40 I HN 0.314 nan 8.210 nan 0.000 0.431 41 A N 7.063 129.896 122.820 0.022 0.000 2.287 41 A HA 0.705 5.025 4.320 0.000 0.000 0.317 41 A C -0.161 177.478 177.584 0.093 0.000 1.220 41 A CA -0.741 51.344 52.037 0.080 0.000 0.835 41 A CB 0.758 19.883 19.000 0.208 0.000 1.180 41 A HN 0.698 nan 8.150 nan 0.000 0.500 42 R N 1.729 122.272 120.500 0.073 0.000 2.207 42 R HA 0.507 4.847 4.340 0.000 0.000 0.334 42 R C -1.183 175.171 176.300 0.089 0.000 1.013 42 R CA -0.312 55.826 56.100 0.064 0.000 0.858 42 R CB 1.388 31.716 30.300 0.046 0.000 1.094 42 R HN 0.419 nan 8.270 nan 0.000 0.457 43 V N 4.823 124.785 119.914 0.080 0.000 2.487 43 V HA 0.294 4.414 4.120 0.000 0.000 0.298 43 V C -0.494 175.661 176.094 0.101 0.000 1.028 43 V CA -0.906 61.446 62.300 0.086 0.000 0.860 43 V CB 1.402 33.240 31.823 0.026 0.000 0.991 43 V HN 0.543 nan 8.190 nan 0.000 0.427 44 F N 4.162 124.108 119.950 -0.006 0.000 2.389 44 F HA 0.722 5.249 4.527 0.000 0.000 0.337 44 F C 1.033 176.822 175.800 -0.019 0.000 1.112 44 F CA 1.521 59.515 58.000 -0.010 0.000 1.192 44 F CB 1.133 40.130 39.000 -0.005 0.000 1.185 44 F HN 0.915 nan 8.300 nan 0.000 0.552 45 G N 3.820 112.062 108.800 -0.931 0.000 2.509 45 G HA2 -0.263 3.697 3.960 0.000 0.000 0.259 45 G HA3 -0.263 3.697 3.960 0.000 0.000 0.259 45 G C 0.285 175.003 174.900 -0.303 0.000 1.169 45 G CA -0.257 44.481 45.100 -0.602 0.000 0.953 45 G HN 1.471 nan 8.290 nan 0.000 0.563 46 L N -0.210 120.900 121.223 -0.190 0.000 3.839 46 L HA -0.232 4.108 4.340 0.000 0.000 0.416 46 L C 1.757 178.547 176.870 -0.132 0.000 1.195 46 L CA 0.650 55.407 54.840 -0.138 0.000 0.946 46 L CB -1.264 40.720 42.059 -0.126 0.000 1.891 46 L HN 0.665 nan 8.230 nan 0.000 0.963 47 N N 0.338 118.947 118.700 -0.151 0.000 2.272 47 N HA -0.127 4.613 4.740 0.000 0.000 0.185 47 N C 1.166 176.624 175.510 -0.087 0.000 1.014 47 N CA 1.454 54.425 53.050 -0.133 0.000 0.870 47 N CB -0.123 38.280 38.487 -0.139 0.000 0.975 47 N HN 0.516 nan 8.380 nan 0.000 0.433 48 N N 0.626 119.282 118.700 -0.072 0.000 2.313 48 N HA 0.138 4.878 4.740 0.000 0.000 0.207 48 N C 0.066 175.549 175.510 -0.046 0.000 1.141 48 N CA -0.084 52.935 53.050 -0.052 0.000 0.830 48 N CB 0.279 38.740 38.487 -0.042 0.000 1.008 48 N HN 0.326 nan 8.380 nan 0.000 0.481 49 I N 0.750 121.288 120.570 -0.054 0.000 2.638 49 I HA -0.000 4.170 4.170 0.000 0.000 0.286 49 I C 0.194 176.293 176.117 -0.031 0.000 1.088 49 I CA -0.328 60.945 61.300 -0.045 0.000 1.397 49 I CB 0.761 38.726 38.000 -0.058 0.000 1.414 49 I HN 0.023 nan 8.210 nan 0.000 0.566 50 Q N 4.932 124.720 119.800 -0.019 0.000 2.227 50 Q HA 0.542 4.882 4.340 0.000 0.000 0.245 50 Q C -0.338 175.661 176.000 -0.002 0.000 0.926 50 Q CA -0.950 54.848 55.803 -0.008 0.000 0.895 50 Q CB 1.558 30.296 28.738 -0.000 0.000 1.230 50 Q HN 0.768 nan 8.270 nan 0.000 0.450 51 A N 1.717 124.541 122.820 0.006 0.000 2.462 51 A HA 0.087 4.407 4.320 0.000 0.000 0.243 51 A C 0.071 177.672 177.584 0.029 0.000 1.076 51 A CA 0.084 52.131 52.037 0.016 0.000 0.773 51 A CB -0.062 18.950 19.000 0.020 0.000 1.010 51 A HN 0.952 nan 8.150 nan 0.000 0.493 52 E N -0.693 119.532 120.200 0.041 0.000 2.791 52 E HA -0.213 4.137 4.350 0.000 0.000 0.271 52 E C -0.005 176.637 176.600 0.070 0.000 1.044 52 E CA 1.200 57.641 56.400 0.069 0.000 0.814 52 E CB -1.376 28.369 29.700 0.074 0.000 1.400 52 E HN 0.875 nan 8.360 nan 0.000 0.423 53 E N 0.962 121.190 120.200 0.046 0.000 2.197 53 E HA 0.373 4.723 4.350 0.000 0.000 0.281 53 E C -0.250 176.380 176.600 0.050 0.000 0.995 53 E CA -0.708 55.717 56.400 0.042 0.000 0.808 53 E CB 0.877 30.586 29.700 0.014 0.000 1.093 53 E HN 0.103 nan 8.360 nan 0.000 0.394 54 L N 4.614 125.887 121.223 0.083 0.000 2.483 54 L HA 0.145 4.485 4.340 0.000 0.000 0.276 54 L C -0.438 176.452 176.870 0.035 0.000 1.213 54 L CA 0.439 55.347 54.840 0.113 0.000 0.843 54 L CB 1.064 43.221 42.059 0.163 0.000 1.107 54 L HN 0.505 nan 8.230 nan 0.000 0.487 55 V N 0.197 120.115 119.914 0.007 0.000 3.160 55 V HA 0.711 4.831 4.120 0.000 0.000 0.310 55 V C -0.961 175.108 176.094 -0.042 0.000 1.181 55 V CA -0.902 61.352 62.300 -0.076 0.000 1.047 55 V CB 1.844 33.539 31.823 -0.214 0.000 1.068 55 V HN 0.789 nan 8.190 nan 0.000 0.441 56 E N 0.258 120.395 120.200 -0.105 0.000 2.256 56 E HA 0.606 4.956 4.350 0.000 0.000 0.268 56 E C -1.785 174.747 176.600 -0.113 0.000 0.877 56 E CA -0.644 55.751 56.400 -0.010 0.000 0.757 56 E CB 2.067 31.790 29.700 0.039 0.000 1.183 56 E HN 0.583 nan 8.360 nan 0.000 0.418 57 F N 1.163 121.119 119.950 0.010 0.000 2.362 57 F HA 0.200 4.727 4.527 0.000 0.000 0.311 57 F C 1.881 177.688 175.800 0.012 0.000 1.161 57 F CA -0.177 57.827 58.000 0.006 0.000 1.085 57 F CB 1.051 40.052 39.000 0.001 0.000 1.311 57 F HN 0.479 nan 8.300 nan 0.000 0.524 58 S N -0.107 115.728 115.700 0.224 0.000 2.370 58 S HA -0.189 4.281 4.470 0.000 0.000 0.226 58 S C 2.142 176.808 174.600 0.110 0.000 1.033 58 S CA 1.735 60.011 58.200 0.125 0.000 1.011 58 S CB -0.477 62.786 63.200 0.106 0.000 0.852 58 S HN 0.695 nan 8.310 nan 0.000 0.457 59 S N -0.121 115.656 115.700 0.127 0.000 2.406 59 S HA 0.238 4.708 4.470 0.000 0.000 0.228 59 S C 1.659 176.310 174.600 0.085 0.000 1.020 59 S CA 1.020 59.269 58.200 0.081 0.000 0.965 59 S CB -0.252 62.977 63.200 0.048 0.000 0.798 59 S HN 0.770 nan 8.310 nan 0.000 0.488 60 G N 0.132 109.008 108.800 0.126 0.000 2.260 60 G HA2 -0.159 3.801 3.960 0.000 0.000 0.179 60 G HA3 -0.159 3.801 3.960 0.000 0.000 0.179 60 G C 0.032 175.017 174.900 0.141 0.000 1.002 60 G CA -0.165 45.004 45.100 0.116 0.000 0.677 60 G HN 0.807 nan 8.290 nan 0.000 0.486 61 V N 1.800 121.807 119.914 0.156 0.000 2.637 61 V HA 0.547 4.667 4.120 0.000 0.000 0.296 61 V C 0.587 176.855 176.094 0.290 0.000 1.046 61 V CA 0.081 62.476 62.300 0.158 0.000 1.066 61 V CB 0.979 32.819 31.823 0.029 0.000 0.968 61 V HN 0.280 nan 8.190 nan 0.000 0.483 62 K N 4.315 124.886 120.400 0.284 0.000 2.106 62 K HA 0.807 5.127 4.320 0.000 0.000 0.246 62 K C 0.033 176.704 176.600 0.118 0.000 0.987 62 K CA -0.060 56.416 56.287 0.315 0.000 0.904 62 K CB 1.813 34.566 32.500 0.422 0.000 1.071 62 K HN 0.959 nan 8.250 nan 0.000 0.453 63 G N 0.407 109.118 108.800 -0.148 0.000 2.606 63 G HA2 0.537 4.497 3.960 0.000 0.000 0.300 63 G HA3 0.537 4.497 3.960 0.000 0.000 0.300 63 G C -1.599 173.003 174.900 -0.495 0.000 1.360 63 G CA -0.942 43.720 45.100 -0.730 0.000 0.783 63 G HN 0.552 nan 8.290 nan 0.000 0.484 64 M N -0.706 118.645 119.600 -0.415 0.000 2.386 64 M HA 0.801 5.281 4.480 0.000 0.000 0.293 64 M C -0.398 175.869 176.300 -0.055 0.000 1.120 64 M CA -1.029 54.214 55.300 -0.096 0.000 0.909 64 M CB 2.485 35.144 32.600 0.099 0.000 1.661 64 M HN 0.930 nan 8.290 nan 0.000 0.452 65 A N 3.775 126.580 122.820 -0.026 0.000 2.395 65 A HA 0.529 4.849 4.320 0.000 0.000 0.286 65 A C 0.304 177.887 177.584 -0.002 0.000 1.193 65 A CA -0.492 51.531 52.037 -0.023 0.000 0.852 65 A CB -0.194 18.787 19.000 -0.032 0.000 1.118 65 A HN 1.047 nan 8.150 nan 0.000 0.524 66 L N 1.640 122.858 121.223 -0.009 0.000 2.537 66 L HA 0.172 4.512 4.340 0.000 0.000 0.224 66 L C 0.057 176.924 176.870 -0.006 0.000 1.065 66 L CA 0.209 55.047 54.840 -0.002 0.000 0.860 66 L CB 0.162 42.207 42.059 -0.024 0.000 1.086 66 L HN 0.575 nan 8.230 nan 0.000 0.482 67 N N 0.791 119.483 118.700 -0.014 0.000 2.518 67 N HA 0.417 5.158 4.740 0.000 0.000 0.254 67 N C -1.166 174.337 175.510 -0.011 0.000 0.979 67 N CA -0.070 52.973 53.050 -0.011 0.000 0.930 67 N CB 1.287 39.765 38.487 -0.015 0.000 1.152 67 N HN -0.018 nan 8.380 nan 0.000 0.505 68 L N 1.913 123.130 121.223 -0.009 0.000 2.272 68 L HA 0.450 4.790 4.340 0.000 0.000 0.284 68 L C 0.192 177.055 176.870 -0.012 0.000 1.045 68 L CA -0.370 54.461 54.840 -0.016 0.000 0.842 68 L CB 0.686 42.735 42.059 -0.017 0.000 1.224 68 L HN 0.335 nan 8.230 nan 0.000 0.430 69 E N 3.448 123.642 120.200 -0.011 0.000 2.244 69 E HA 0.321 4.671 4.350 0.000 0.000 0.266 69 E C -1.653 174.946 176.600 -0.003 0.000 0.914 69 E CA -1.807 54.592 56.400 -0.003 0.000 0.794 69 E CB 2.065 31.768 29.700 0.006 0.000 1.210 69 E HN 0.232 nan 8.360 nan 0.000 0.414 70 P HA -0.245 nan 4.420 nan 0.000 0.222 70 P C 0.786 178.098 177.300 0.020 0.000 1.154 70 P CA 1.638 64.742 63.100 0.007 0.000 0.874 70 P CB 0.248 31.957 31.700 0.015 0.000 0.787 71 G N -2.813 106.013 108.800 0.043 0.000 2.833 71 G HA2 0.175 4.135 3.960 0.000 0.000 0.214 71 G HA3 0.175 4.135 3.960 0.000 0.000 0.214 71 G C 0.278 175.255 174.900 0.129 0.000 1.075 71 G CA 0.099 45.262 45.100 0.104 0.000 0.799 71 G HN 0.478 nan 8.290 nan 0.000 0.541 72 Q N -1.363 118.472 119.800 0.058 0.000 2.685 72 Q HA 0.667 5.007 4.340 0.000 0.000 0.301 72 Q C -2.135 173.868 176.000 0.005 0.000 0.924 72 Q CA -0.917 54.919 55.803 0.055 0.000 0.755 72 Q CB 2.066 30.864 28.738 0.101 0.000 1.470 72 Q HN -0.082 nan 8.270 nan 0.000 0.434 73 V N 0.739 120.655 119.914 0.003 0.000 2.443 73 V HA 0.670 4.790 4.120 0.000 0.000 0.293 73 V C -0.112 175.984 176.094 0.003 0.000 1.021 73 V CA -0.224 62.068 62.300 -0.014 0.000 0.848 73 V CB 1.619 33.415 31.823 -0.044 0.000 0.998 73 V HN 0.836 nan 8.190 nan 0.000 0.424 74 G N 5.536 114.335 108.800 -0.001 0.000 2.350 74 G HA2 0.636 4.596 3.960 0.000 0.000 0.306 74 G HA3 0.636 4.596 3.960 0.000 0.000 0.306 74 G C -0.611 174.286 174.900 -0.004 0.000 1.094 74 G CA -0.231 44.870 45.100 0.002 0.000 0.953 74 G HN 0.621 nan 8.290 nan 0.000 0.420 75 I N 2.941 123.523 120.570 0.020 0.000 2.378 75 I HA 0.224 4.394 4.170 0.000 0.000 0.291 75 I C 0.393 176.508 176.117 -0.003 0.000 0.992 75 I CA -1.100 60.210 61.300 0.016 0.000 1.154 75 I CB 2.117 40.166 38.000 0.082 0.000 1.315 75 I HN 0.356 nan 8.210 nan 0.000 0.448 76 V N 5.785 125.657 119.914 -0.071 0.000 2.583 76 V HA 0.461 4.581 4.120 0.000 0.000 0.287 76 V C -0.122 175.849 176.094 -0.206 0.000 1.051 76 V CA -0.610 61.627 62.300 -0.104 0.000 1.010 76 V CB 0.894 32.667 31.823 -0.084 0.000 0.988 76 V HN 0.492 nan 8.190 nan 0.000 0.478 77 L N 4.165 125.297 121.223 -0.152 0.000 2.289 77 L HA 0.463 4.803 4.340 0.000 0.000 0.285 77 L C 0.575 177.399 176.870 -0.077 0.000 1.049 77 L CA -0.464 54.269 54.840 -0.178 0.000 0.804 77 L CB 0.889 42.843 42.059 -0.175 0.000 1.195 77 L HN 0.552 nan 8.230 nan 0.000 0.428 78 F N 0.956 120.948 119.950 0.070 0.000 2.661 78 F HA 0.183 4.710 4.527 0.000 0.000 0.298 78 F C 1.462 177.286 175.800 0.039 0.000 1.137 78 F CA -0.215 57.826 58.000 0.068 0.000 1.454 78 F CB -0.258 38.792 39.000 0.084 0.000 1.103 78 F HN 0.534 nan 8.300 nan 0.000 0.577 79 G N -1.397 107.496 108.800 0.155 0.000 3.105 79 G HA2 0.365 4.325 3.960 0.000 0.000 0.277 79 G HA3 0.365 4.325 3.960 0.000 0.000 0.277 79 G C -0.891 174.012 174.900 0.005 0.000 1.375 79 G CA -0.670 44.477 45.100 0.079 0.000 0.962 79 G HN -0.095 nan 8.290 nan 0.000 0.541 80 S N -0.248 115.448 115.700 -0.006 0.000 2.546 80 S HA 0.090 4.560 4.470 0.000 0.000 0.290 80 S C 1.201 175.755 174.600 -0.076 0.000 1.290 80 S CA 0.247 58.430 58.200 -0.029 0.000 1.069 80 S CB 0.418 63.608 63.200 -0.017 0.000 0.846 80 S HN 0.548 nan 8.310 nan 0.000 0.495 81 D N 4.088 124.440 120.400 -0.079 0.000 2.378 81 D HA -0.095 4.545 4.640 0.000 0.000 0.227 81 D C 1.470 177.711 176.300 -0.098 0.000 1.012 81 D CA 0.295 54.227 54.000 -0.113 0.000 0.905 81 D CB -0.203 40.543 40.800 -0.090 0.000 0.895 81 D HN 0.645 nan 8.370 nan 0.000 0.532 82 R N 0.467 120.924 120.500 -0.071 0.000 2.119 82 R HA 0.067 4.407 4.340 0.000 0.000 0.222 82 R C 1.779 178.043 176.300 -0.061 0.000 1.088 82 R CA 0.453 56.521 56.100 -0.053 0.000 0.984 82 R CB -0.160 30.120 30.300 -0.033 0.000 0.884 82 R HN 0.194 nan 8.270 nan 0.000 0.447 83 L N 0.846 122.020 121.223 -0.081 0.000 2.552 83 L HA 0.099 4.440 4.340 0.000 0.000 0.227 83 L C -0.087 176.719 176.870 -0.106 0.000 1.146 83 L CA -0.039 54.756 54.840 -0.076 0.000 0.858 83 L CB 0.396 42.414 42.059 -0.068 0.000 0.969 83 L HN -0.067 nan 8.230 nan 0.000 0.451 84 V N 0.208 120.026 119.914 -0.160 0.000 2.459 84 V HA 0.348 4.468 4.120 0.000 0.000 0.295 84 V C -0.101 175.950 176.094 -0.071 0.000 1.029 84 V CA -0.782 61.418 62.300 -0.167 0.000 0.874 84 V CB 1.734 33.327 31.823 -0.383 0.000 0.985 84 V HN 0.136 nan 8.190 nan 0.000 0.438 85 K N 2.117 122.510 120.400 -0.013 0.000 2.400 85 K HA 0.521 4.841 4.320 0.000 0.000 0.246 85 K C -0.436 176.182 176.600 0.031 0.000 0.995 85 K CA -0.904 55.385 56.287 0.004 0.000 0.840 85 K CB 2.347 34.851 32.500 0.007 0.000 1.293 85 K HN 0.679 nan 8.250 nan 0.000 0.445 86 E N 0.078 120.292 120.200 0.024 0.000 2.408 86 E HA 0.020 4.370 4.350 0.000 0.000 0.259 86 E C 0.585 177.207 176.600 0.038 0.000 1.110 86 E CA 1.131 57.550 56.400 0.032 0.000 0.929 86 E CB 0.523 30.233 29.700 0.016 0.000 0.971 86 E HN 0.776 nan 8.360 nan 0.000 0.438 87 G N 2.730 111.556 108.800 0.043 0.000 2.196 87 G HA2 -0.338 3.622 3.960 0.000 0.000 0.268 87 G HA3 -0.338 3.622 3.960 0.000 0.000 0.268 87 G C 0.317 175.249 174.900 0.053 0.000 0.975 87 G CA 0.879 46.003 45.100 0.040 0.000 0.648 87 G HN 0.604 nan 8.290 nan 0.000 0.538 88 E N -0.702 119.542 120.200 0.073 0.000 2.374 88 E HA 0.530 4.880 4.350 0.000 0.000 0.260 88 E C 0.093 176.745 176.600 0.086 0.000 1.101 88 E CA -0.917 55.534 56.400 0.085 0.000 0.907 88 E CB 0.624 30.392 29.700 0.113 0.000 1.014 88 E HN 0.184 nan 8.360 nan 0.000 0.427 89 L N 3.281 124.544 121.223 0.067 0.000 2.305 89 L HA 0.217 4.557 4.340 0.000 0.000 0.281 89 L C -1.187 175.678 176.870 -0.008 0.000 1.085 89 L CA -0.193 54.664 54.840 0.030 0.000 0.813 89 L CB 1.284 43.356 42.059 0.021 0.000 1.157 89 L HN 0.204 nan 8.230 nan 0.000 0.436 90 V N 5.401 125.258 119.914 -0.094 0.000 2.350 90 V HA 0.399 4.519 4.120 0.000 0.000 0.285 90 V C -0.042 175.929 176.094 -0.206 0.000 1.014 90 V CA -0.926 61.209 62.300 -0.274 0.000 0.831 90 V CB 1.081 32.620 31.823 -0.473 0.000 1.000 90 V HN 0.649 nan 8.190 nan 0.000 0.433 91 K N 4.163 124.460 120.400 -0.170 0.000 2.205 91 K HA 0.520 4.840 4.320 0.000 0.000 0.279 91 K C 0.309 176.839 176.600 -0.118 0.000 1.027 91 K CA -0.613 55.610 56.287 -0.107 0.000 0.932 91 K CB 1.528 33.995 32.500 -0.056 0.000 1.032 91 K HN 0.561 nan 8.250 nan 0.000 0.466 92 R N 0.039 120.487 120.500 -0.087 0.000 2.822 92 R HA 0.006 4.346 4.340 0.000 0.000 0.277 92 R C 1.297 177.574 176.300 -0.039 0.000 1.102 92 R CA 0.566 56.624 56.100 -0.069 0.000 1.207 92 R CB 0.394 30.661 30.300 -0.054 0.000 1.139 92 R HN 0.828 nan 8.270 nan 0.000 0.557 93 T N -4.002 110.540 114.554 -0.021 0.000 2.980 93 T HA 0.190 4.540 4.350 0.000 0.000 0.252 93 T C 1.268 175.969 174.700 0.002 0.000 0.962 93 T CA 0.349 62.450 62.100 0.001 0.000 0.932 93 T CB 0.715 69.597 68.868 0.024 0.000 1.188 93 T HN 0.779 nan 8.240 nan 0.000 0.500 94 G N 1.981 110.780 108.800 -0.002 0.000 2.179 94 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 94 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 94 G C -0.249 174.656 174.900 0.009 0.000 0.977 94 G CA -0.017 45.082 45.100 -0.001 0.000 0.641 94 G HN 0.650 nan 8.290 nan 0.000 0.533 95 N N 0.645 119.356 118.700 0.019 0.000 2.421 95 N HA 0.520 5.260 4.740 0.000 0.000 0.285 95 N C 0.555 176.086 175.510 0.036 0.000 1.027 95 N CA -0.626 52.440 53.050 0.027 0.000 0.918 95 N CB 0.984 39.491 38.487 0.034 0.000 1.152 95 N HN 0.123 nan 8.380 nan 0.000 0.485 96 I N 1.874 122.462 120.570 0.031 0.000 2.556 96 I HA 0.027 4.197 4.170 0.000 0.000 0.284 96 I C 0.593 176.737 176.117 0.045 0.000 1.114 96 I CA -0.415 60.907 61.300 0.036 0.000 1.418 96 I CB 0.109 38.122 38.000 0.023 0.000 1.394 96 I HN 0.136 nan 8.210 nan 0.000 0.552 97 V N 7.203 127.157 119.914 0.066 0.000 2.644 97 V HA -0.095 4.025 4.120 0.000 0.000 0.303 97 V C 0.434 176.550 176.094 0.037 0.000 1.058 97 V CA 0.585 62.931 62.300 0.076 0.000 1.228 97 V CB -0.597 31.294 31.823 0.113 0.000 0.861 97 V HN 0.941 nan 8.190 nan 0.000 0.484 98 D N 3.881 124.298 120.400 0.028 0.000 2.664 98 D HA 0.681 5.321 4.640 0.000 0.000 0.292 98 D C -1.251 175.051 176.300 0.002 0.000 1.214 98 D CA -0.618 53.391 54.000 0.015 0.000 0.932 98 D CB 2.327 43.136 40.800 0.016 0.000 1.420 98 D HN 0.408 nan 8.370 nan 0.000 0.471 99 V N -0.270 119.644 119.914 -0.000 0.000 3.012 99 V HA 0.534 4.654 4.120 0.000 0.000 0.307 99 V C -2.780 173.301 176.094 -0.022 0.000 1.166 99 V CA -1.926 60.367 62.300 -0.013 0.000 0.974 99 V CB 2.534 34.352 31.823 -0.009 0.000 1.040 99 V HN 0.563 nan 8.190 nan 0.000 0.428 100 P HA 0.265 nan 4.420 nan 0.000 0.271 100 P C -0.775 176.465 177.300 -0.100 0.000 1.216 100 P CA 0.348 63.407 63.100 -0.069 0.000 0.776 100 P CB 1.166 32.821 31.700 -0.074 0.000 0.881 101 V N -0.525 119.294 119.914 -0.157 0.000 3.126 101 V HA 1.029 5.149 4.120 0.000 0.000 0.314 101 V C 0.041 175.788 176.094 -0.579 0.000 1.138 101 V CA -0.325 61.817 62.300 -0.264 0.000 1.034 101 V CB 1.354 33.096 31.823 -0.134 0.000 1.075 101 V HN 0.984 nan 8.190 nan 0.000 0.442 102 G N 1.279 109.501 108.800 -0.964 0.000 2.353 102 G HA2 0.216 4.176 3.960 0.000 0.000 0.424 102 G HA3 0.216 4.176 3.960 0.000 0.000 0.424 102 G C -2.546 171.661 174.900 -1.155 0.000 1.320 102 G CA 0.037 44.186 45.100 -1.585 0.000 0.995 102 G HN 0.704 nan 8.290 nan 0.000 0.580 103 P HA 0.026 nan 4.420 nan 0.000 0.217 103 P C 1.811 178.962 177.300 -0.248 0.000 1.151 103 P CA 1.824 64.625 63.100 -0.499 0.000 0.828 103 P CB -0.133 31.374 31.700 -0.321 0.000 0.788 104 G N -0.200 108.439 108.800 -0.268 0.000 2.807 104 G HA2 -0.090 3.870 3.960 0.000 0.000 0.207 104 G HA3 -0.090 3.870 3.960 0.000 0.000 0.207 104 G C 1.313 176.140 174.900 -0.121 0.000 1.151 104 G CA 0.015 45.023 45.100 -0.153 0.000 0.800 104 G HN 0.240 nan 8.290 nan 0.000 0.523 105 L N -0.221 120.919 121.223 -0.138 0.000 2.529 105 L HA 0.331 4.671 4.340 0.000 0.000 0.223 105 L C 1.152 178.017 176.870 -0.007 0.000 1.113 105 L CA -0.253 54.543 54.840 -0.073 0.000 0.861 105 L CB 0.053 42.061 42.059 -0.086 0.000 1.012 105 L HN 0.099 nan 8.230 nan 0.000 0.461 106 L N 0.353 121.586 121.223 0.017 0.000 2.525 106 L HA 0.041 4.381 4.340 0.000 0.000 0.278 106 L C 1.419 178.310 176.870 0.035 0.000 1.218 106 L CA 0.885 55.764 54.840 0.066 0.000 0.878 106 L CB 0.019 42.141 42.059 0.105 0.000 1.127 106 L HN 0.376 nan 8.230 nan 0.000 0.492 107 G N 1.796 110.613 108.800 0.029 0.000 2.153 107 G HA2 -0.230 3.730 3.960 0.000 0.000 0.252 107 G HA3 -0.230 3.730 3.960 0.000 0.000 0.252 107 G C 0.125 175.021 174.900 -0.006 0.000 0.994 107 G CA -0.239 44.860 45.100 -0.000 0.000 0.698 107 G HN 0.461 nan 8.290 nan 0.000 0.521 108 R N -0.685 119.815 120.500 0.001 0.000 2.740 108 R HA 0.653 4.993 4.340 0.000 0.000 0.282 108 R C -0.284 176.019 176.300 0.004 0.000 0.969 108 R CA -0.848 55.251 56.100 -0.003 0.000 0.918 108 R CB 1.926 32.221 30.300 -0.009 0.000 1.175 108 R HN 0.216 nan 8.270 nan 0.000 0.464 109 V N 2.981 122.896 119.914 0.002 0.000 2.350 109 V HA 0.429 4.549 4.120 0.000 0.000 0.276 109 V C 0.426 176.525 176.094 0.008 0.000 1.028 109 V CA -0.752 61.555 62.300 0.011 0.000 0.860 109 V CB 1.209 33.037 31.823 0.009 0.000 0.990 109 V HN 0.581 nan 8.190 nan 0.000 0.453 110 V N 1.238 121.159 119.914 0.012 0.000 3.074 110 V HA 0.824 4.944 4.120 0.000 0.000 0.314 110 V C -0.403 175.694 176.094 0.005 0.000 1.117 110 V CA -0.853 61.448 62.300 0.002 0.000 1.014 110 V CB 2.153 33.972 31.823 -0.006 0.000 1.057 110 V HN 0.773 nan 8.190 nan 0.000 0.438 111 D N 1.463 121.859 120.400 -0.007 0.000 2.506 111 D HA 0.474 5.114 4.640 0.000 0.000 0.272 111 D C 1.104 177.387 176.300 -0.028 0.000 1.214 111 D CA -0.095 53.897 54.000 -0.013 0.000 1.067 111 D CB 1.281 42.070 40.800 -0.019 0.000 1.117 111 D HN 0.898 nan 8.370 nan 0.000 0.578 112 A N -0.783 122.011 122.820 -0.043 0.000 2.259 112 A HA 0.024 4.344 4.320 0.000 0.000 0.212 112 A C 1.695 179.224 177.584 -0.092 0.000 1.178 112 A CA 0.795 52.796 52.037 -0.061 0.000 0.734 112 A CB -0.795 18.163 19.000 -0.070 0.000 0.774 112 A HN 0.511 nan 8.150 nan 0.000 0.481 113 L N -2.536 118.631 121.223 -0.094 0.000 3.217 113 L HA 0.306 4.646 4.340 0.000 0.000 0.288 113 L C 1.240 178.077 176.870 -0.054 0.000 1.202 113 L CA 0.364 55.147 54.840 -0.095 0.000 1.027 113 L CB 0.507 42.477 42.059 -0.149 0.000 1.427 113 L HN 0.464 nan 8.230 nan 0.000 0.600 114 G N 0.919 109.694 108.800 -0.041 0.000 2.171 114 G HA2 -0.232 3.728 3.960 0.000 0.000 0.238 114 G HA3 -0.232 3.728 3.960 0.000 0.000 0.238 114 G C -0.258 174.624 174.900 -0.029 0.000 1.039 114 G CA -0.292 44.789 45.100 -0.031 0.000 0.759 114 G HN 0.326 nan 8.290 nan 0.000 0.501 115 N N 1.718 120.402 118.700 -0.027 0.000 2.422 115 N HA 0.406 5.146 4.740 0.000 0.000 0.266 115 N C -2.422 173.080 175.510 -0.013 0.000 1.007 115 N CA -1.206 51.832 53.050 -0.019 0.000 0.941 115 N CB 2.007 40.485 38.487 -0.015 0.000 1.115 115 N HN 0.170 nan 8.380 nan 0.000 0.492 116 P HA 0.071 nan 4.420 nan 0.000 0.265 116 P C 0.548 177.846 177.300 -0.004 0.000 1.193 116 P CA 0.055 63.150 63.100 -0.009 0.000 0.765 116 P CB 0.690 32.383 31.700 -0.012 0.000 0.823 117 I N -0.861 119.709 120.570 -0.001 0.000 4.338 117 I HA 0.184 4.354 4.170 0.000 0.000 0.329 117 I C 0.383 176.501 176.117 0.002 0.000 1.378 117 I CA -0.221 61.080 61.300 0.002 0.000 1.170 117 I CB 0.074 38.078 38.000 0.006 0.000 1.206 117 I HN 0.000 nan 8.210 nan 0.000 0.432 118 D N 1.455 121.854 120.400 -0.001 0.000 2.340 118 D HA 0.139 4.779 4.640 0.000 0.000 0.220 118 D C 1.734 178.032 176.300 -0.005 0.000 1.039 118 D CA 0.613 54.611 54.000 -0.004 0.000 0.866 118 D CB -0.141 40.655 40.800 -0.006 0.000 0.913 118 D HN 0.449 nan 8.370 nan 0.000 0.523 119 G N 0.770 109.568 108.800 -0.003 0.000 2.187 119 G HA2 -0.389 3.571 3.960 0.000 0.000 0.261 119 G HA3 -0.389 3.571 3.960 0.000 0.000 0.261 119 G C 0.644 175.541 174.900 -0.005 0.000 1.000 119 G CA 0.441 45.539 45.100 -0.003 0.000 0.718 119 G HN 0.464 nan 8.290 nan 0.000 0.519 120 K N 0.129 120.524 120.400 -0.007 0.000 2.576 120 K HA 0.479 4.799 4.320 0.000 0.000 0.209 120 K C 1.396 177.991 176.600 -0.009 0.000 1.049 120 K CA 0.371 56.653 56.287 -0.008 0.000 1.140 120 K CB 0.285 32.779 32.500 -0.010 0.000 0.871 120 K HN 1.305 nan 8.250 nan 0.000 0.479 121 G N 2.278 111.073 108.800 -0.009 0.000 2.545 121 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 121 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 121 G C -2.705 172.187 174.900 -0.013 0.000 1.314 121 G CA -1.070 44.025 45.100 -0.010 0.000 0.906 121 G HN 0.145 nan 8.290 nan 0.000 0.563 122 P HA 0.595 nan 4.420 nan 0.000 0.276 122 P C -0.333 176.951 177.300 -0.027 0.000 1.244 122 P CA -0.509 62.580 63.100 -0.019 0.000 0.801 122 P CB 0.695 32.384 31.700 -0.018 0.000 1.006 123 I N 1.839 122.389 120.570 -0.033 0.000 2.315 123 I HA 0.118 4.288 4.170 0.000 0.000 0.291 123 I C 0.686 176.767 176.117 -0.061 0.000 1.006 123 I CA -0.216 61.056 61.300 -0.047 0.000 1.265 123 I CB 0.313 38.284 38.000 -0.050 0.000 1.387 123 I HN 0.339 nan 8.210 nan 0.000 0.475 124 D N 6.793 127.150 120.400 -0.072 0.000 2.435 124 D HA 0.320 4.960 4.640 0.000 0.000 0.230 124 D C -0.270 175.952 176.300 -0.131 0.000 1.215 124 D CA -0.035 53.913 54.000 -0.085 0.000 0.947 124 D CB 0.879 41.633 40.800 -0.076 0.000 1.048 124 D HN 0.591 nan 8.370 nan 0.000 0.512 125 A N 2.495 125.238 122.820 -0.128 0.000 2.301 125 A HA 0.569 4.889 4.320 0.000 0.000 0.312 125 A C 0.951 178.429 177.584 -0.178 0.000 1.182 125 A CA -0.267 51.664 52.037 -0.176 0.000 0.826 125 A CB 1.524 20.443 19.000 -0.135 0.000 1.134 125 A HN 0.550 nan 8.150 nan 0.000 0.501 126 A N 2.145 124.802 122.820 -0.271 0.000 1.970 126 A HA 0.489 4.809 4.320 0.000 0.000 0.216 126 A C 1.200 178.729 177.584 -0.091 0.000 1.170 126 A CA 1.679 53.600 52.037 -0.193 0.000 0.645 126 A CB -0.311 18.514 19.000 -0.292 0.000 0.816 126 A HN 1.884 nan 8.150 nan 0.000 0.447 127 G N -1.584 107.148 108.800 -0.113 0.000 2.634 127 G HA2 0.563 4.523 3.960 0.000 0.000 0.309 127 G HA3 0.563 4.523 3.960 0.000 0.000 0.309 127 G C -1.375 173.496 174.900 -0.048 0.000 1.299 127 G CA -0.915 44.164 45.100 -0.035 0.000 0.798 127 G HN 0.199 nan 8.290 nan 0.000 0.490 128 R N -0.265 120.229 120.500 -0.009 0.000 2.575 128 R HA 0.680 5.020 4.340 0.000 0.000 0.293 128 R C -1.108 175.202 176.300 0.017 0.000 0.983 128 R CA -0.578 55.517 56.100 -0.008 0.000 0.887 128 R CB 2.305 32.600 30.300 -0.009 0.000 1.184 128 R HN 0.454 nan 8.270 nan 0.000 0.445 129 S N 1.407 117.119 115.700 0.020 0.000 2.578 129 S HA 0.461 4.931 4.470 0.000 0.000 0.301 129 S C -0.107 174.508 174.600 0.026 0.000 1.091 129 S CA -0.871 57.350 58.200 0.035 0.000 1.032 129 S CB 1.775 65.008 63.200 0.056 0.000 1.064 129 S HN 0.374 nan 8.310 nan 0.000 0.508 130 R N 0.487 121.002 120.500 0.025 0.000 2.734 130 R HA 0.194 4.534 4.340 0.000 0.000 0.266 130 R C 1.251 177.563 176.300 0.020 0.000 1.044 130 R CA 0.176 56.286 56.100 0.017 0.000 1.128 130 R CB 0.176 30.482 30.300 0.009 0.000 1.010 130 R HN 0.792 nan 8.270 nan 0.000 0.461 131 A N 2.332 125.157 122.820 0.008 0.000 1.930 131 A HA -0.060 4.260 4.320 0.000 0.000 0.215 131 A C 0.464 178.032 177.584 -0.027 0.000 1.176 131 A CA 0.983 53.029 52.037 0.015 0.000 0.632 131 A CB 0.211 19.211 19.000 -0.001 0.000 0.819 131 A HN 0.526 nan 8.150 nan 0.000 0.445 132 Q N 0.653 120.393 119.800 -0.099 0.000 2.390 132 Q HA 0.490 4.830 4.340 0.000 0.000 0.249 132 Q C -1.325 174.637 176.000 -0.064 0.000 0.996 132 Q CA 0.063 55.765 55.803 -0.169 0.000 0.899 132 Q CB 1.339 29.950 28.738 -0.213 0.000 1.216 132 Q HN 0.191 nan 8.270 nan 0.000 0.465 133 V N 2.913 122.811 119.914 -0.027 0.000 2.735 133 V HA 0.332 4.452 4.120 0.000 0.000 0.310 133 V C 0.066 176.171 176.094 0.018 0.000 1.061 133 V CA -1.135 61.170 62.300 0.009 0.000 0.913 133 V CB 2.366 34.210 31.823 0.034 0.000 1.005 133 V HN 0.510 nan 8.190 nan 0.000 0.428 134 K N 2.412 122.826 120.400 0.022 0.000 2.382 134 K HA 0.477 4.797 4.320 0.000 0.000 0.275 134 K C 0.313 176.936 176.600 0.039 0.000 1.009 134 K CA 0.078 56.386 56.287 0.034 0.000 0.970 134 K CB 1.211 33.731 32.500 0.035 0.000 0.934 134 K HN 0.879 nan 8.250 nan 0.000 0.479 135 A N 4.793 127.640 122.820 0.046 0.000 2.407 135 A HA 0.299 4.619 4.320 0.000 0.000 0.248 135 A C -1.995 175.611 177.584 0.037 0.000 1.082 135 A CA -1.095 50.969 52.037 0.045 0.000 0.785 135 A CB -0.491 18.539 19.000 0.049 0.000 1.020 135 A HN 0.398 nan 8.150 nan 0.000 0.489 136 P HA 0.196 nan 4.420 nan 0.000 0.264 136 P C 0.746 178.062 177.300 0.026 0.000 1.193 136 P CA 0.630 63.744 63.100 0.024 0.000 0.763 136 P CB 0.517 32.230 31.700 0.021 0.000 0.810 137 G N 2.532 111.346 108.800 0.023 0.000 2.529 137 G HA2 0.028 3.988 3.960 0.000 0.000 0.277 137 G HA3 0.028 3.988 3.960 0.000 0.000 0.277 137 G C 1.157 176.070 174.900 0.021 0.000 1.383 137 G CA -0.525 44.589 45.100 0.024 0.000 1.050 137 G HN 0.343 nan 8.290 nan 0.000 0.526 138 I N -0.755 119.827 120.570 0.020 0.000 2.099 138 I HA -0.136 4.034 4.170 0.000 0.000 0.239 138 I C 2.809 178.933 176.117 0.012 0.000 1.066 138 I CA 1.214 62.524 61.300 0.017 0.000 1.324 138 I CB -1.112 36.897 38.000 0.015 0.000 1.037 138 I HN 0.268 nan 8.210 nan 0.000 0.401 139 L N 1.206 122.435 121.223 0.009 0.000 2.109 139 L HA -0.044 4.296 4.340 0.000 0.000 0.207 139 L C -0.540 176.332 176.870 0.004 0.000 1.086 139 L CA 1.512 56.355 54.840 0.005 0.000 0.760 139 L CB -1.539 40.522 42.059 0.003 0.000 0.910 139 L HN 0.160 nan 8.230 nan 0.000 0.437 140 P HA -0.081 nan 4.420 nan 0.000 0.244 140 P C -0.148 177.156 177.300 0.006 0.000 1.211 140 P CA 0.652 63.754 63.100 0.003 0.000 0.760 140 P CB -0.071 31.631 31.700 0.002 0.000 0.961 141 R N -0.026 120.479 120.500 0.009 0.000 2.643 141 R HA 0.569 4.909 4.340 0.000 0.000 0.272 141 R C 0.505 176.812 176.300 0.010 0.000 0.995 141 R CA -0.728 55.380 56.100 0.014 0.000 1.032 141 R CB 1.730 32.041 30.300 0.019 0.000 1.126 141 R HN -0.078 nan 8.270 nan 0.000 0.505 142 R N 0.266 120.777 120.500 0.018 0.000 2.807 142 R HA 0.319 4.659 4.340 0.000 0.000 0.276 142 R C -1.011 175.303 176.300 0.023 0.000 0.979 142 R CA -0.588 55.516 56.100 0.007 0.000 0.928 142 R CB 2.000 32.302 30.300 0.003 0.000 1.191 142 R HN 0.717 nan 8.270 nan 0.000 0.471 143 S N 1.856 117.556 115.700 0.001 0.000 2.515 143 S HA 0.038 4.508 4.470 0.000 0.000 0.285 143 S C 0.271 174.917 174.600 0.076 0.000 1.265 143 S CA -0.516 57.696 58.200 0.019 0.000 1.079 143 S CB 0.655 63.851 63.200 -0.006 0.000 0.877 143 S HN 0.366 nan 8.310 nan 0.000 0.493 144 V N 5.754 125.718 119.914 0.083 0.000 2.506 144 V HA -0.037 4.083 4.120 0.000 0.000 0.296 144 V C 1.487 177.667 176.094 0.142 0.000 1.004 144 V CA 0.710 63.073 62.300 0.104 0.000 1.150 144 V CB -0.744 31.105 31.823 0.043 0.000 0.911 144 V HN 1.088 nan 8.190 nan 0.000 0.476 145 H N 2.147 121.198 119.070 -0.032 0.000 3.540 145 H HA 0.371 4.927 4.556 0.000 0.000 0.259 145 H C -0.002 175.289 175.328 -0.061 0.000 1.197 145 H CA -0.475 55.550 56.048 -0.038 0.000 1.136 145 H CB 0.559 30.303 29.762 -0.029 0.000 1.605 145 H HN 0.626 nan 8.280 nan 0.000 0.657 146 E N 2.781 122.712 120.200 -0.448 0.000 2.187 146 E HA 0.394 4.744 4.350 0.000 0.000 0.268 146 E C -2.865 173.560 176.600 -0.291 0.000 0.896 146 E CA -2.198 53.932 56.400 -0.449 0.000 0.766 146 E CB 2.342 31.716 29.700 -0.544 0.000 1.142 146 E HN 0.142 nan 8.360 nan 0.000 0.408 147 P HA 0.005 nan 4.420 nan 0.000 0.271 147 P C -0.770 176.360 177.300 -0.283 0.000 1.220 147 P CA -0.208 62.761 63.100 -0.218 0.000 0.768 147 P CB 0.599 32.188 31.700 -0.186 0.000 0.848 148 V N 5.269 125.053 119.914 -0.216 0.000 2.304 148 V HA 0.102 4.222 4.120 0.000 0.000 0.262 148 V C 0.553 176.546 176.094 -0.168 0.000 1.061 148 V CA -0.069 62.096 62.300 -0.225 0.000 0.872 148 V CB -0.093 31.641 31.823 -0.149 0.000 1.077 148 V HN 0.496 nan 8.190 nan 0.000 0.480 149 Q N 2.462 122.134 119.800 -0.214 0.000 2.348 149 Q HA 0.084 4.424 4.340 0.000 0.000 0.251 149 Q C 1.594 177.612 176.000 0.030 0.000 1.113 149 Q CA 0.216 55.986 55.803 -0.054 0.000 0.902 149 Q CB 0.810 29.577 28.738 0.048 0.000 1.333 149 Q HN 0.949 nan 8.270 nan 0.000 0.457 150 T N -0.966 113.599 114.554 0.018 0.000 2.867 150 T HA -0.037 4.313 4.350 0.000 0.000 0.268 150 T C 1.433 176.168 174.700 0.059 0.000 1.057 150 T CA 0.630 62.749 62.100 0.033 0.000 1.136 150 T CB -0.128 68.749 68.868 0.015 0.000 0.874 150 T HN 0.841 nan 8.240 nan 0.000 0.466 151 G N 1.151 109.990 108.800 0.066 0.000 2.147 151 G HA2 -0.188 3.772 3.960 0.000 0.000 0.244 151 G HA3 -0.188 3.772 3.960 0.000 0.000 0.244 151 G C -0.131 174.793 174.900 0.040 0.000 1.005 151 G CA 0.204 45.343 45.100 0.065 0.000 0.713 151 G HN 0.670 nan 8.290 nan 0.000 0.515 152 L N -0.053 121.188 121.223 0.031 0.000 2.277 152 L HA 0.385 4.725 4.340 0.000 0.000 0.284 152 L C 1.740 178.626 176.870 0.027 0.000 1.028 152 L CA -0.891 53.963 54.840 0.022 0.000 0.835 152 L CB 1.196 43.263 42.059 0.013 0.000 1.215 152 L HN 0.073 nan 8.230 nan 0.000 0.425 153 K N 2.116 122.535 120.400 0.031 0.000 2.117 153 K HA -0.329 3.991 4.320 0.000 0.000 0.215 153 K C 1.940 178.561 176.600 0.036 0.000 1.053 153 K CA 2.269 58.579 56.287 0.038 0.000 0.935 153 K CB -0.128 32.397 32.500 0.043 0.000 0.719 153 K HN 0.815 nan 8.250 nan 0.000 0.460 154 A N 0.444 123.282 122.820 0.031 0.000 1.897 154 A HA -0.087 4.233 4.320 0.000 0.000 0.215 154 A C 2.357 179.959 177.584 0.030 0.000 1.181 154 A CA 1.426 53.482 52.037 0.031 0.000 0.620 154 A CB -0.413 18.605 19.000 0.029 0.000 0.821 154 A HN 0.092 nan 8.150 nan 0.000 0.443 155 V N 0.537 120.466 119.914 0.025 0.000 2.283 155 V HA -0.190 3.930 4.120 0.000 0.000 0.243 155 V C 2.057 178.162 176.094 0.018 0.000 1.039 155 V CA 2.166 64.478 62.300 0.021 0.000 1.016 155 V CB -0.900 30.932 31.823 0.015 0.000 0.650 155 V HN 0.431 nan 8.190 nan 0.000 0.449 156 D N 0.363 120.775 120.400 0.020 0.000 2.218 156 D HA -0.070 4.570 4.640 0.000 0.000 0.204 156 D C 1.968 178.281 176.300 0.021 0.000 0.976 156 D CA 1.518 55.529 54.000 0.018 0.000 0.853 156 D CB -0.074 40.741 40.800 0.025 0.000 0.939 156 D HN 0.473 nan 8.370 nan 0.000 0.481 157 A N -0.831 122.006 122.820 0.029 0.000 2.014 157 A HA 0.190 4.510 4.320 0.000 0.000 0.210 157 A C 1.963 179.565 177.584 0.030 0.000 1.188 157 A CA 0.268 52.325 52.037 0.034 0.000 0.731 157 A CB 0.117 19.144 19.000 0.045 0.000 0.858 157 A HN 0.190 nan 8.150 nan 0.000 0.464 158 L N -1.307 119.933 121.223 0.029 0.000 2.685 158 L HA 0.186 4.526 4.340 0.000 0.000 0.235 158 L C 0.009 176.893 176.870 0.023 0.000 1.070 158 L CA 0.246 55.103 54.840 0.028 0.000 0.888 158 L CB 0.959 43.039 42.059 0.036 0.000 1.203 158 L HN 0.059 nan 8.230 nan 0.000 0.499 159 V N 0.134 120.060 119.914 0.021 0.000 2.647 159 V HA 0.254 4.374 4.120 0.000 0.000 0.305 159 V C -2.444 173.655 176.094 0.008 0.000 1.162 159 V CA -1.259 61.051 62.300 0.017 0.000 1.248 159 V CB -0.140 31.698 31.823 0.024 0.000 1.508 159 V HN -0.005 nan 8.190 nan 0.000 0.647 160 P HA 0.168 nan 4.420 nan 0.000 0.264 160 P C -0.307 176.983 177.300 -0.016 0.000 1.183 160 P CA 0.611 63.706 63.100 -0.008 0.000 0.763 160 P CB 1.403 33.097 31.700 -0.010 0.000 0.807 161 I N 1.874 122.428 120.570 -0.028 0.000 2.412 161 I HA 0.505 4.675 4.170 0.000 0.000 0.296 161 I C 1.058 177.140 176.117 -0.059 0.000 0.987 161 I CA -0.334 60.945 61.300 -0.035 0.000 1.180 161 I CB 1.992 39.972 38.000 -0.033 0.000 1.340 161 I HN 0.357 nan 8.210 nan 0.000 0.455 162 G N 4.084 112.851 108.800 -0.054 0.000 2.489 162 G HA2 0.572 4.532 3.960 0.000 0.000 0.327 162 G HA3 0.572 4.532 3.960 0.000 0.000 0.327 162 G C -0.784 174.070 174.900 -0.076 0.000 1.189 162 G CA -0.834 44.220 45.100 -0.077 0.000 0.962 162 G HN 0.497 nan 8.290 nan 0.000 0.486 163 R N -0.058 120.378 120.500 -0.107 0.000 2.288 163 R HA 0.446 4.786 4.340 0.000 0.000 0.330 163 R C 1.144 177.444 176.300 -0.000 0.000 1.069 163 R CA 1.363 57.419 56.100 -0.074 0.000 0.941 163 R CB 0.637 30.846 30.300 -0.151 0.000 0.998 163 R HN 1.027 nan 8.270 nan 0.000 0.452 164 G N 1.874 110.686 108.800 0.019 0.000 2.380 164 G HA2 -0.253 3.708 3.960 0.000 0.000 0.197 164 G HA3 -0.253 3.708 3.960 0.000 0.000 0.197 164 G C 0.142 175.055 174.900 0.022 0.000 1.001 164 G CA -0.440 44.680 45.100 0.034 0.000 0.668 164 G HN 0.547 nan 8.290 nan 0.000 0.483 165 Q N 0.589 120.393 119.800 0.007 0.000 2.417 165 Q HA 0.612 4.952 4.340 0.000 0.000 0.241 165 Q C -0.032 175.972 176.000 0.005 0.000 1.008 165 Q CA -0.162 55.644 55.803 0.004 0.000 0.901 165 Q CB 0.340 29.074 28.738 -0.007 0.000 1.259 165 Q HN 0.406 nan 8.270 nan 0.000 0.489 166 R N 2.409 122.912 120.500 0.006 0.000 2.358 166 R HA 0.224 4.564 4.340 0.000 0.000 0.309 166 R C -1.366 174.932 176.300 -0.002 0.000 1.026 166 R CA -0.500 55.604 56.100 0.006 0.000 0.909 166 R CB 1.260 31.564 30.300 0.006 0.000 1.153 166 R HN 0.434 nan 8.270 nan 0.000 0.515 167 E N 2.862 123.060 120.200 -0.003 0.000 2.134 167 E HA 0.196 4.546 4.350 0.000 0.000 0.278 167 E C -1.334 175.263 176.600 -0.005 0.000 0.959 167 E CA -0.884 55.514 56.400 -0.003 0.000 0.783 167 E CB 1.019 30.717 29.700 -0.003 0.000 1.095 167 E HN 0.343 nan 8.360 nan 0.000 0.399 168 L N 6.017 127.236 121.223 -0.006 0.000 2.281 168 L HA 0.447 4.787 4.340 0.000 0.000 0.285 168 L C -0.899 175.969 176.870 -0.002 0.000 1.074 168 L CA 0.015 54.846 54.840 -0.014 0.000 0.817 168 L CB 0.437 42.481 42.059 -0.024 0.000 1.168 168 L HN 0.622 nan 8.230 nan 0.000 0.434 169 I N 6.960 127.521 120.570 -0.014 0.000 2.352 169 I HA 0.327 4.497 4.170 0.000 0.000 0.290 169 I C -0.062 176.030 176.117 -0.041 0.000 1.036 169 I CA 0.136 61.423 61.300 -0.021 0.000 1.336 169 I CB 0.795 38.781 38.000 -0.023 0.000 1.407 169 I HN 0.617 nan 8.210 nan 0.000 0.497 170 I N 5.191 125.726 120.570 -0.059 0.000 2.722 170 I HA 0.848 5.018 4.170 0.000 0.000 0.295 170 I C -0.389 175.546 176.117 -0.303 0.000 1.161 170 I CA -0.069 61.177 61.300 -0.089 0.000 1.032 170 I CB 2.145 40.169 38.000 0.040 0.000 1.244 170 I HN 0.708 nan 8.210 nan 0.000 0.421 171 G N 4.684 113.299 108.800 -0.309 0.000 2.339 171 G HA2 0.136 4.096 3.960 0.000 0.000 0.302 171 G HA3 0.136 4.096 3.960 0.000 0.000 0.302 171 G C -1.957 172.794 174.900 -0.248 0.000 1.425 171 G CA -0.887 43.916 45.100 -0.495 0.000 0.899 171 G HN 0.530 nan 8.290 nan 0.000 0.619 172 D N 0.372 120.639 120.400 -0.221 0.000 2.354 172 D HA 0.378 5.018 4.640 0.000 0.000 0.238 172 D C 1.375 177.601 176.300 -0.123 0.000 1.250 172 D CA 0.099 54.028 54.000 -0.117 0.000 0.911 172 D CB 0.380 41.130 40.800 -0.083 0.000 1.163 172 D HN 0.711 nan 8.370 nan 0.000 0.456 173 R N 0.199 120.652 120.500 -0.079 0.000 2.697 173 R HA 0.034 4.374 4.340 0.000 0.000 0.265 173 R C -0.122 176.104 176.300 -0.123 0.000 1.009 173 R CA -0.138 55.915 56.100 -0.077 0.000 1.099 173 R CB -0.266 30.011 30.300 -0.039 0.000 0.965 173 R HN 0.329 nan 8.270 nan 0.000 0.428 174 Q N -0.660 119.058 119.800 -0.136 0.000 2.468 174 Q HA -0.197 4.143 4.340 0.000 0.000 0.289 174 Q C -0.031 175.726 176.000 -0.405 0.000 1.299 174 Q CA 1.377 57.056 55.803 -0.207 0.000 0.838 174 Q CB -1.557 27.092 28.738 -0.148 0.000 1.195 174 Q HN 0.996 nan 8.270 nan 0.000 0.456 175 T N -5.996 108.341 114.554 -0.361 0.000 3.004 175 T HA 0.492 4.842 4.350 0.000 0.000 0.266 175 T C 1.133 175.681 174.700 -0.253 0.000 0.986 175 T CA 0.464 62.306 62.100 -0.430 0.000 0.902 175 T CB 1.283 69.973 68.868 -0.297 0.000 1.118 175 T HN 0.915 nan 8.240 nan 0.000 0.522 176 G N 1.781 110.477 108.800 -0.173 0.000 2.159 176 G HA2 -0.194 3.766 3.960 0.000 0.000 0.170 176 G HA3 -0.194 3.766 3.960 0.000 0.000 0.170 176 G C 0.734 175.608 174.900 -0.043 0.000 1.007 176 G CA 0.129 45.201 45.100 -0.046 0.000 0.672 176 G HN 0.474 nan 8.290 nan 0.000 0.507 177 K N -0.041 120.319 120.400 -0.067 0.000 2.026 177 K HA -0.066 4.254 4.320 0.000 0.000 0.208 177 K C 2.476 179.071 176.600 -0.008 0.000 1.048 177 K CA 1.897 58.154 56.287 -0.049 0.000 0.929 177 K CB -0.328 32.133 32.500 -0.065 0.000 0.713 177 K HN 0.333 nan 8.250 nan 0.000 0.439 178 T N 1.265 115.826 114.554 0.011 0.000 2.812 178 T HA -0.072 4.278 4.350 0.000 0.000 0.264 178 T C 2.119 176.835 174.700 0.027 0.000 1.042 178 T CA 1.143 63.281 62.100 0.063 0.000 1.140 178 T CB -0.281 68.640 68.868 0.089 0.000 0.870 178 T HN 0.313 nan 8.240 nan 0.000 0.445 179 A N 1.255 124.065 122.820 -0.016 0.000 1.948 179 A HA -0.104 4.216 4.320 0.000 0.000 0.220 179 A C 2.577 180.125 177.584 -0.060 0.000 1.177 179 A CA 1.567 53.562 52.037 -0.069 0.000 0.636 179 A CB -1.159 17.791 19.000 -0.084 0.000 0.815 179 A HN 0.361 nan 8.150 nan 0.000 0.449 180 V N -0.336 119.562 119.914 -0.027 0.000 2.261 180 V HA -0.240 3.880 4.120 0.000 0.000 0.246 180 V C 3.081 179.175 176.094 0.001 0.000 1.047 180 V CA 1.985 64.276 62.300 -0.015 0.000 1.015 180 V CB -1.319 30.498 31.823 -0.009 0.000 0.642 180 V HN 0.635 nan 8.190 nan 0.000 0.446 181 A N -0.341 122.493 122.820 0.023 0.000 1.908 181 A HA -0.237 4.083 4.320 0.000 0.000 0.218 181 A C 2.177 179.792 177.584 0.052 0.000 1.181 181 A CA 2.310 54.379 52.037 0.053 0.000 0.627 181 A CB -0.612 18.453 19.000 0.109 0.000 0.818 181 A HN 0.447 nan 8.150 nan 0.000 0.445 182 L N 0.024 121.263 121.223 0.026 0.000 2.027 182 L HA -0.127 4.213 4.340 0.000 0.000 0.206 182 L C 1.651 178.514 176.870 -0.011 0.000 1.074 182 L CA 2.490 57.326 54.840 -0.006 0.000 0.745 182 L CB -0.661 41.381 42.059 -0.027 0.000 0.898 182 L HN 0.337 nan 8.230 nan 0.000 0.433 183 D N -1.137 119.243 120.400 -0.032 0.000 2.178 183 D HA -0.160 4.480 4.640 0.000 0.000 0.201 183 D C 2.044 178.354 176.300 0.016 0.000 0.980 183 D CA 1.645 55.630 54.000 -0.026 0.000 0.842 183 D CB -0.366 40.402 40.800 -0.052 0.000 0.948 183 D HN 0.374 nan 8.370 nan 0.000 0.472 184 T N 1.277 115.844 114.554 0.023 0.000 2.635 184 T HA -0.140 4.210 4.350 0.000 0.000 0.267 184 T C 2.231 176.974 174.700 0.072 0.000 1.040 184 T CA 0.845 62.969 62.100 0.041 0.000 1.156 184 T CB -0.359 68.524 68.868 0.026 0.000 0.863 184 T HN 0.184 nan 8.240 nan 0.000 0.430 185 I N 0.752 121.370 120.570 0.080 0.000 2.264 185 I HA -0.143 4.027 4.170 0.000 0.000 0.248 185 I C 2.292 178.535 176.117 0.210 0.000 1.111 185 I CA 1.131 62.516 61.300 0.143 0.000 1.382 185 I CB -0.455 37.610 38.000 0.108 0.000 1.060 185 I HN 0.207 nan 8.210 nan 0.000 0.418 186 L N 0.251 121.540 121.223 0.111 0.000 2.093 186 L HA -0.215 4.125 4.340 0.000 0.000 0.208 186 L C 2.272 179.224 176.870 0.136 0.000 1.085 186 L CA 1.307 56.207 54.840 0.100 0.000 0.755 186 L CB -0.740 41.298 42.059 -0.034 0.000 0.904 186 L HN 0.316 nan 8.230 nan 0.000 0.435 187 N N -0.078 118.689 118.700 0.112 0.000 2.289 187 N HA -0.191 4.549 4.740 0.000 0.000 0.184 187 N C 1.701 177.302 175.510 0.150 0.000 1.016 187 N CA 0.895 54.013 53.050 0.113 0.000 0.872 187 N CB 0.053 38.630 38.487 0.151 0.000 0.973 187 N HN 0.214 nan 8.380 nan 0.000 0.433 188 Q N 0.377 120.280 119.800 0.172 0.000 2.541 188 Q HA -0.044 4.296 4.340 0.000 0.000 0.215 188 Q C 1.340 177.231 176.000 -0.180 0.000 0.977 188 Q CA 0.445 56.324 55.803 0.126 0.000 0.934 188 Q CB -0.091 28.554 28.738 -0.155 0.000 0.988 188 Q HN 0.492 nan 8.270 nan 0.000 0.521 189 K N 0.805 121.133 120.400 -0.121 0.000 2.063 189 K HA -0.125 4.195 4.320 0.000 0.000 0.208 189 K C 1.826 178.256 176.600 -0.283 0.000 1.048 189 K CA 1.082 57.301 56.287 -0.114 0.000 0.928 189 K CB -0.048 32.463 32.500 0.017 0.000 0.713 189 K HN 0.242 nan 8.250 nan 0.000 0.442 190 R N -0.672 119.488 120.500 -0.567 0.000 2.303 190 R HA -0.126 4.214 4.340 0.000 0.000 0.225 190 R C 1.487 177.202 176.300 -0.975 0.000 1.114 190 R CA 1.020 56.570 56.100 -0.915 0.000 1.007 190 R CB -0.025 29.404 30.300 -1.450 0.000 0.861 190 R HN 0.420 nan 8.270 nan 0.000 0.471 191 W N -1.111 120.081 121.300 -0.180 0.000 3.231 191 W HA 0.242 4.902 4.660 0.000 0.000 0.234 191 W C 0.983 177.367 176.519 -0.226 0.000 1.099 191 W CA -0.597 56.634 57.345 -0.190 0.000 1.467 191 W CB -0.350 28.983 29.460 -0.213 0.000 0.800 191 W HN -0.003 nan 8.180 nan 0.000 0.739 192 N N 1.451 120.080 118.700 -0.119 0.000 2.571 192 N HA -0.078 4.662 4.740 0.000 0.000 0.189 192 N C 0.773 176.243 175.510 -0.066 0.000 1.154 192 N CA 0.779 53.691 53.050 -0.230 0.000 0.907 192 N CB -0.260 37.846 38.487 -0.635 0.000 0.977 192 N HN 0.152 nan 8.380 nan 0.000 0.449 193 N N -0.402 118.270 118.700 -0.046 0.000 2.254 193 N HA 0.080 4.820 4.740 0.000 0.000 0.190 193 N C 0.779 176.288 175.510 -0.001 0.000 1.107 193 N CA 0.091 53.139 53.050 -0.003 0.000 0.869 193 N CB 0.750 39.227 38.487 -0.016 0.000 0.983 193 N HN 0.090 nan 8.380 nan 0.000 0.487 194 G N -0.859 107.938 108.800 -0.005 0.000 2.491 194 G HA2 0.311 4.271 3.960 0.000 0.000 0.327 194 G HA3 0.311 4.271 3.960 0.000 0.000 0.327 194 G C 0.656 175.574 174.900 0.031 0.000 1.189 194 G CA -0.313 44.792 45.100 0.008 0.000 0.956 194 G HN -0.019 nan 8.290 nan 0.000 0.491 195 S N -0.570 115.149 115.700 0.032 0.000 2.399 195 S HA -0.077 4.393 4.470 0.000 0.000 0.231 195 S C 1.020 175.651 174.600 0.051 0.000 1.022 195 S CA 0.678 58.903 58.200 0.042 0.000 0.983 195 S CB -0.122 63.098 63.200 0.033 0.000 0.803 195 S HN 0.647 nan 8.310 nan 0.000 0.480 196 D N 1.325 121.754 120.400 0.049 0.000 2.425 196 D HA 0.036 4.676 4.640 0.000 0.000 0.247 196 D C 0.743 177.077 176.300 0.057 0.000 1.147 196 D CA 0.197 54.228 54.000 0.051 0.000 0.879 196 D CB 0.736 41.567 40.800 0.051 0.000 1.179 196 D HN 0.056 nan 8.370 nan 0.000 0.456 197 E N 1.188 121.429 120.200 0.069 0.000 2.340 197 E HA -0.070 4.280 4.350 0.000 0.000 0.194 197 E C 1.770 178.429 176.600 0.098 0.000 0.996 197 E CA 0.252 56.710 56.400 0.097 0.000 0.869 197 E CB 0.186 29.964 29.700 0.130 0.000 0.835 197 E HN 0.539 nan 8.360 nan 0.000 0.493 198 S N 0.312 116.056 115.700 0.073 0.000 2.461 198 S HA 0.014 4.484 4.470 0.000 0.000 0.228 198 S C 1.734 176.299 174.600 -0.058 0.000 1.005 198 S CA 0.551 58.799 58.200 0.080 0.000 0.942 198 S CB 0.028 63.260 63.200 0.052 0.000 0.776 198 S HN 0.048 nan 8.310 nan 0.000 0.514 199 K N 0.810 121.157 120.400 -0.089 0.000 2.356 199 K HA 0.222 4.542 4.320 0.000 0.000 0.195 199 K C 0.398 176.835 176.600 -0.271 0.000 1.037 199 K CA 0.168 56.316 56.287 -0.233 0.000 1.014 199 K CB 0.153 32.599 32.500 -0.089 0.000 0.815 199 K HN 0.299 nan 8.250 nan 0.000 0.507 200 K N 1.280 121.592 120.400 -0.146 0.000 2.355 200 K HA 0.111 4.431 4.320 0.000 0.000 0.270 200 K C -0.716 175.684 176.600 -0.333 0.000 1.003 200 K CA -0.085 56.051 56.287 -0.251 0.000 0.957 200 K CB 0.575 32.875 32.500 -0.333 0.000 0.939 200 K HN -0.125 nan 8.250 nan 0.000 0.482 201 L N 4.082 125.047 121.223 -0.429 0.000 2.471 201 L HA 0.268 4.608 4.340 0.000 0.000 0.263 201 L C -1.572 175.090 176.870 -0.347 0.000 0.985 201 L CA -0.394 54.251 54.840 -0.325 0.000 0.868 201 L CB 0.541 42.449 42.059 -0.253 0.000 1.203 201 L HN 0.430 nan 8.230 nan 0.000 0.429 202 Y N 2.745 122.915 120.300 -0.217 0.000 2.397 202 Y HA 0.382 4.932 4.550 0.000 0.000 0.335 202 Y C 0.564 176.355 175.900 -0.182 0.000 1.213 202 Y CA -0.031 57.911 58.100 -0.262 0.000 1.391 202 Y CB 0.696 38.690 38.460 -0.777 0.000 1.293 202 Y HN 0.477 nan 8.280 nan 0.000 0.557 203 C N 2.981 122.355 119.300 0.123 0.000 2.345 203 C HA 0.597 5.057 4.460 0.000 0.000 0.323 203 C C -0.328 174.711 174.990 0.080 0.000 1.276 203 C CA -1.210 57.863 59.018 0.091 0.000 1.543 203 C CB 0.357 28.186 27.740 0.147 0.000 2.211 203 C HN 0.546 nan 8.230 nan 0.000 0.493 204 V N 3.897 123.837 119.914 0.044 0.000 2.347 204 V HA 0.266 4.386 4.120 0.000 0.000 0.280 204 V C -0.693 175.414 176.094 0.022 0.000 1.021 204 V CA -0.446 61.879 62.300 0.042 0.000 0.847 204 V CB 0.789 32.621 31.823 0.016 0.000 0.990 204 V HN 0.818 nan 8.190 nan 0.000 0.444 205 Y N 5.411 125.678 120.300 -0.054 0.000 2.342 205 Y HA 0.609 5.159 4.550 0.000 0.000 0.338 205 Y C -0.219 175.650 175.900 -0.051 0.000 0.965 205 Y CA -0.728 57.332 58.100 -0.067 0.000 1.159 205 Y CB 1.555 39.992 38.460 -0.037 0.000 1.157 205 Y HN 0.425 nan 8.280 nan 0.000 0.486 206 V N 6.398 126.049 119.914 -0.440 0.000 2.348 206 V HA 0.526 4.646 4.120 0.000 0.000 0.270 206 V C 0.260 176.111 176.094 -0.405 0.000 1.037 206 V CA -0.665 61.474 62.300 -0.268 0.000 0.872 206 V CB 0.476 32.221 31.823 -0.131 0.000 1.002 206 V HN 0.934 nan 8.190 nan 0.000 0.464 207 A N 5.664 128.420 122.820 -0.106 0.000 2.415 207 A HA 0.649 4.969 4.320 0.000 0.000 0.309 207 A C -0.242 177.349 177.584 0.011 0.000 1.356 207 A CA -0.274 51.778 52.037 0.025 0.000 0.998 207 A CB 0.135 19.286 19.000 0.251 0.000 1.145 207 A HN 0.687 nan 8.150 nan 0.000 0.545 208 V N 2.459 122.364 119.914 -0.015 0.000 2.417 208 V HA 0.628 4.748 4.120 0.000 0.000 0.291 208 V C 1.339 177.456 176.094 0.037 0.000 1.024 208 V CA 0.518 62.826 62.300 0.014 0.000 0.861 208 V CB 0.873 32.698 31.823 0.004 0.000 0.985 208 V HN 1.667 nan 8.190 nan 0.000 0.436 209 G N 3.635 112.466 108.800 0.052 0.000 2.196 209 G HA2 -0.257 3.703 3.960 0.000 0.000 0.268 209 G HA3 -0.257 3.703 3.960 0.000 0.000 0.268 209 G C 0.271 175.204 174.900 0.054 0.000 0.975 209 G CA 0.628 45.763 45.100 0.057 0.000 0.648 209 G HN 0.710 nan 8.290 nan 0.000 0.538 210 Q N 0.377 120.212 119.800 0.058 0.000 2.382 210 Q HA 0.436 4.776 4.340 0.000 0.000 0.229 210 Q C 0.685 176.719 176.000 0.056 0.000 1.006 210 Q CA 0.053 55.894 55.803 0.063 0.000 0.916 210 Q CB 0.578 29.368 28.738 0.087 0.000 1.235 210 Q HN 0.668 nan 8.270 nan 0.000 0.512 211 K N 0.441 120.871 120.400 0.049 0.000 2.237 211 K HA 0.185 4.505 4.320 0.000 0.000 0.270 211 K C 0.422 177.047 176.600 0.042 0.000 1.015 211 K CA -0.489 55.823 56.287 0.041 0.000 0.949 211 K CB 1.090 33.610 32.500 0.034 0.000 0.976 211 K HN 0.438 nan 8.250 nan 0.000 0.472 212 R N 0.719 121.241 120.500 0.036 0.000 2.117 212 R HA -0.158 4.182 4.340 0.000 0.000 0.243 212 R C 2.098 178.414 176.300 0.026 0.000 1.143 212 R CA 2.208 58.327 56.100 0.032 0.000 0.968 212 R CB -0.333 29.983 30.300 0.027 0.000 0.863 212 R HN 0.907 nan 8.270 nan 0.000 0.444 213 S N -0.790 114.924 115.700 0.024 0.000 2.474 213 S HA -0.065 4.405 4.470 0.000 0.000 0.235 213 S C 1.725 176.337 174.600 0.019 0.000 0.997 213 S CA 1.347 59.558 58.200 0.018 0.000 0.949 213 S CB 0.005 63.216 63.200 0.017 0.000 0.766 213 S HN 0.204 nan 8.310 nan 0.000 0.517 214 T N 2.016 116.586 114.554 0.027 0.000 2.894 214 T HA 0.113 4.463 4.350 0.000 0.000 0.258 214 T C 1.928 176.642 174.700 0.022 0.000 1.043 214 T CA 0.880 62.998 62.100 0.029 0.000 1.141 214 T CB -0.331 68.562 68.868 0.043 0.000 0.873 214 T HN 0.253 nan 8.240 nan 0.000 0.449 215 V N 2.088 122.022 119.914 0.034 0.000 2.295 215 V HA -0.173 3.947 4.120 0.000 0.000 0.246 215 V C 2.908 178.998 176.094 -0.008 0.000 1.049 215 V CA 1.824 64.140 62.300 0.026 0.000 1.024 215 V CB -1.160 30.699 31.823 0.060 0.000 0.648 215 V HN 0.513 nan 8.190 nan 0.000 0.447 216 A N -0.466 122.354 122.820 0.001 0.000 1.972 216 A HA -0.289 4.031 4.320 0.000 0.000 0.219 216 A C 2.166 179.740 177.584 -0.018 0.000 1.169 216 A CA 2.107 54.139 52.037 -0.008 0.000 0.635 216 A CB -0.493 18.507 19.000 -0.001 0.000 0.810 216 A HN 0.559 nan 8.150 nan 0.000 0.446 217 Q N -0.500 119.293 119.800 -0.013 0.000 2.119 217 Q HA -0.079 4.261 4.340 0.000 0.000 0.201 217 Q C 1.818 177.799 176.000 -0.031 0.000 0.972 217 Q CA 1.730 57.524 55.803 -0.015 0.000 0.847 217 Q CB -0.491 28.248 28.738 0.002 0.000 0.903 217 Q HN 0.531 nan 8.270 nan 0.000 0.433 218 L N -0.769 120.424 121.223 -0.051 0.000 2.027 218 L HA -0.080 4.260 4.340 0.000 0.000 0.206 218 L C 2.101 178.906 176.870 -0.108 0.000 1.074 218 L CA 1.260 56.040 54.840 -0.099 0.000 0.745 218 L CB -0.486 41.457 42.059 -0.194 0.000 0.898 218 L HN 0.130 nan 8.230 nan 0.000 0.433 219 V N -0.360 119.498 119.914 -0.093 0.000 2.332 219 V HA -0.360 3.760 4.120 0.000 0.000 0.248 219 V C 2.545 178.603 176.094 -0.061 0.000 1.055 219 V CA 2.164 64.418 62.300 -0.078 0.000 1.038 219 V CB -0.722 31.070 31.823 -0.052 0.000 0.651 219 V HN 0.616 nan 8.190 nan 0.000 0.450 220 Q N -0.355 119.415 119.800 -0.049 0.000 2.084 220 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 220 Q C 2.296 178.270 176.000 -0.043 0.000 0.978 220 Q CA 2.213 57.990 55.803 -0.044 0.000 0.844 220 Q CB -0.150 28.565 28.738 -0.039 0.000 0.898 220 Q HN 0.724 nan 8.270 nan 0.000 0.426 221 T N 1.478 116.006 114.554 -0.044 0.000 2.708 221 T HA -0.150 4.200 4.350 0.000 0.000 0.266 221 T C 1.859 176.597 174.700 0.063 0.000 1.037 221 T CA 1.242 63.328 62.100 -0.025 0.000 1.146 221 T CB -0.271 68.564 68.868 -0.055 0.000 0.865 221 T HN 0.242 nan 8.240 nan 0.000 0.435 222 L N 0.641 121.857 121.223 -0.012 0.000 2.042 222 L HA -0.120 4.220 4.340 0.000 0.000 0.210 222 L C 2.741 179.603 176.870 -0.013 0.000 1.076 222 L CA 1.462 56.284 54.840 -0.030 0.000 0.749 222 L CB -0.588 41.407 42.059 -0.108 0.000 0.893 222 L HN 0.315 nan 8.230 nan 0.000 0.432 223 E N -0.385 119.795 120.200 -0.033 0.000 2.204 223 E HA -0.244 4.106 4.350 0.000 0.000 0.195 223 E C 2.210 178.784 176.600 -0.044 0.000 0.990 223 E CA 0.826 57.200 56.400 -0.044 0.000 0.821 223 E CB 0.022 29.694 29.700 -0.047 0.000 0.750 223 E HN 0.529 nan 8.360 nan 0.000 0.477 224 Q N -0.720 119.053 119.800 -0.044 0.000 2.230 224 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 224 Q C 1.018 176.877 176.000 -0.235 0.000 0.963 224 Q CA 0.974 56.690 55.803 -0.145 0.000 0.866 224 Q CB 0.155 28.768 28.738 -0.208 0.000 0.931 224 Q HN 0.388 nan 8.270 nan 0.000 0.452 225 H N -0.673 118.353 119.070 -0.074 0.000 2.551 225 H HA 0.073 4.629 4.556 0.000 0.000 0.271 225 H C -0.379 174.927 175.328 -0.036 0.000 0.984 225 H CA 0.261 56.282 56.048 -0.045 0.000 1.164 225 H CB 0.508 30.255 29.762 -0.026 0.000 1.437 225 H HN 0.091 nan 8.280 nan 0.000 0.550 226 D N -0.019 120.396 120.400 0.026 0.000 2.699 226 D HA -0.203 4.437 4.640 0.000 0.000 0.239 226 D C 0.822 177.085 176.300 -0.061 0.000 1.136 226 D CA 0.703 54.696 54.000 -0.012 0.000 0.668 226 D CB -1.128 39.679 40.800 0.012 0.000 1.060 226 D HN 0.513 nan 8.370 nan 0.000 0.429 227 A N -0.252 122.463 122.820 -0.175 0.000 2.252 227 A HA 0.156 4.476 4.320 0.000 0.000 0.213 227 A C 2.083 179.209 177.584 -0.762 0.000 1.188 227 A CA 0.282 51.963 52.037 -0.593 0.000 0.863 227 A CB 0.023 18.832 19.000 -0.318 0.000 0.893 227 A HN 0.325 nan 8.150 nan 0.000 0.495 228 M N 1.147 120.538 119.600 -0.348 0.000 2.213 228 M HA -0.148 4.332 4.480 0.000 0.000 0.263 228 M C 2.146 178.329 176.300 -0.195 0.000 1.062 228 M CA 1.822 56.981 55.300 -0.235 0.000 1.105 228 M CB -0.733 31.793 32.600 -0.123 0.000 1.385 228 M HN 0.702 nan 8.290 nan 0.000 0.417 229 K N 0.426 120.724 120.400 -0.171 0.000 2.103 229 K HA -0.190 4.130 4.320 0.000 0.000 0.207 229 K C 1.082 177.735 176.600 0.087 0.000 1.048 229 K CA 1.727 58.003 56.287 -0.017 0.000 0.930 229 K CB -0.907 31.625 32.500 0.052 0.000 0.716 229 K HN 0.497 nan 8.250 nan 0.000 0.444 230 Y N 0.461 120.825 120.300 0.107 0.000 2.683 230 Y HA 0.512 5.062 4.550 0.000 0.000 0.297 230 Y C -0.436 175.548 175.900 0.141 0.000 1.147 230 Y CA -1.096 57.106 58.100 0.170 0.000 1.274 230 Y CB 0.176 38.682 38.460 0.077 0.000 1.143 230 Y HN -0.139 nan 8.280 nan 0.000 0.527 231 S N 0.998 116.726 115.700 0.046 0.000 2.542 231 S HA 0.710 5.180 4.470 0.000 0.000 0.293 231 S C -0.833 173.801 174.600 0.057 0.000 1.089 231 S CA -0.694 57.527 58.200 0.035 0.000 0.961 231 S CB 1.847 64.989 63.200 -0.097 0.000 1.062 231 S HN 0.271 nan 8.310 nan 0.000 0.483 232 I N 2.675 123.292 120.570 0.079 0.000 2.465 232 I HA 0.439 4.609 4.170 0.000 0.000 0.291 232 I C -1.111 175.053 176.117 0.078 0.000 1.014 232 I CA -0.702 60.643 61.300 0.075 0.000 1.093 232 I CB 1.462 39.524 38.000 0.104 0.000 1.267 232 I HN 0.361 nan 8.210 nan 0.000 0.431 233 I N 6.896 127.505 120.570 0.064 0.000 2.378 233 I HA 0.416 4.586 4.170 0.000 0.000 0.291 233 I C -0.257 175.906 176.117 0.077 0.000 0.992 233 I CA -0.814 60.544 61.300 0.096 0.000 1.154 233 I CB 1.637 39.679 38.000 0.070 0.000 1.315 233 I HN 0.117 nan 8.210 nan 0.000 0.448 234 V N 5.381 125.348 119.914 0.087 0.000 2.407 234 V HA 0.756 4.876 4.120 0.000 0.000 0.291 234 V C 0.145 176.273 176.094 0.056 0.000 1.018 234 V CA -0.613 61.717 62.300 0.050 0.000 0.842 234 V CB 1.590 33.429 31.823 0.028 0.000 0.996 234 V HN 0.873 nan 8.190 nan 0.000 0.426 235 A N 3.950 126.799 122.820 0.048 0.000 2.330 235 A HA 0.907 5.227 4.320 0.000 0.000 0.313 235 A C -0.041 177.563 177.584 0.033 0.000 1.124 235 A CA -0.316 51.753 52.037 0.054 0.000 0.774 235 A CB 1.587 20.628 19.000 0.067 0.000 1.198 235 A HN 1.360 nan 8.150 nan 0.000 0.465 236 A N 2.991 125.832 122.820 0.034 0.000 2.842 236 A HA 0.601 4.921 4.320 0.000 0.000 0.339 236 A C 0.541 178.154 177.584 0.047 0.000 1.177 236 A CA 0.040 52.098 52.037 0.035 0.000 0.797 236 A CB -0.609 18.410 19.000 0.032 0.000 1.094 236 A HN 1.256 nan 8.150 nan 0.000 0.474 237 T N -1.220 113.362 114.554 0.047 0.000 2.701 237 T HA 0.430 4.780 4.350 0.000 0.000 0.303 237 T C 1.606 176.337 174.700 0.051 0.000 1.030 237 T CA 0.065 62.195 62.100 0.050 0.000 1.010 237 T CB 0.852 69.748 68.868 0.046 0.000 1.007 237 T HN 1.046 nan 8.240 nan 0.000 0.532 238 A N 0.936 123.785 122.820 0.049 0.000 2.024 238 A HA -0.096 4.224 4.320 0.000 0.000 0.220 238 A C 2.540 180.152 177.584 0.046 0.000 1.164 238 A CA 2.038 54.104 52.037 0.048 0.000 0.643 238 A CB -1.385 17.640 19.000 0.043 0.000 0.806 238 A HN 1.070 nan 8.150 nan 0.000 0.451 239 S N -0.514 115.211 115.700 0.042 0.000 2.470 239 S HA 0.055 4.525 4.470 0.000 0.000 0.225 239 S C 0.633 175.260 174.600 0.045 0.000 1.006 239 S CA 0.078 58.302 58.200 0.039 0.000 0.934 239 S CB -0.181 63.039 63.200 0.033 0.000 0.778 239 S HN 0.651 nan 8.310 nan 0.000 0.517 240 E N 1.425 121.656 120.200 0.052 0.000 2.409 240 E HA 0.509 4.859 4.350 0.000 0.000 0.257 240 E C 0.116 176.765 176.600 0.081 0.000 1.150 240 E CA -0.175 56.264 56.400 0.064 0.000 0.942 240 E CB 0.476 30.211 29.700 0.059 0.000 0.979 240 E HN 0.478 nan 8.360 nan 0.000 0.447 241 A N 1.278 124.162 122.820 0.106 0.000 2.445 241 A HA 0.310 4.630 4.320 0.000 0.000 0.242 241 A C 1.199 178.875 177.584 0.152 0.000 1.075 241 A CA 0.470 52.582 52.037 0.126 0.000 0.777 241 A CB 0.472 19.569 19.000 0.161 0.000 1.013 241 A HN 0.771 nan 8.150 nan 0.000 0.493 242 A N 2.926 125.826 122.820 0.134 0.000 1.927 242 A HA -0.099 4.221 4.320 0.000 0.000 0.220 242 A C -0.192 177.538 177.584 0.245 0.000 1.185 242 A CA 2.256 54.385 52.037 0.154 0.000 0.639 242 A CB -1.731 17.328 19.000 0.099 0.000 0.820 242 A HN 0.641 nan 8.150 nan 0.000 0.451 243 P HA -0.147 nan 4.420 nan 0.000 0.215 243 P C 1.531 179.120 177.300 0.482 0.000 1.153 243 P CA 0.906 64.287 63.100 0.468 0.000 0.853 243 P CB -0.169 31.851 31.700 0.533 0.000 0.788 244 L N -0.851 120.559 121.223 0.313 0.000 2.046 244 L HA -0.229 4.111 4.340 0.000 0.000 0.208 244 L C 2.646 179.580 176.870 0.108 0.000 1.077 244 L CA 1.641 56.537 54.840 0.094 0.000 0.747 244 L CB -0.978 41.096 42.059 0.025 0.000 0.896 244 L HN 0.048 nan 8.230 nan 0.000 0.432 245 Q N -1.021 118.872 119.800 0.155 0.000 2.124 245 Q HA -0.261 4.079 4.340 0.000 0.000 0.202 245 Q C 2.102 178.205 176.000 0.173 0.000 0.977 245 Q CA 1.971 57.856 55.803 0.136 0.000 0.850 245 Q CB -0.329 28.492 28.738 0.139 0.000 0.901 245 Q HN 0.574 nan 8.270 nan 0.000 0.429 246 Y N 0.886 121.277 120.300 0.150 0.000 2.200 246 Y HA -0.157 4.393 4.550 0.000 0.000 0.290 246 Y C 1.706 177.738 175.900 0.219 0.000 1.137 246 Y CA 1.186 59.406 58.100 0.201 0.000 1.163 246 Y CB -0.254 38.391 38.460 0.309 0.000 0.988 246 Y HN -0.035 nan 8.280 nan 0.000 0.518 247 L N 0.250 121.377 121.223 -0.159 0.000 2.156 247 L HA -0.056 4.284 4.340 0.000 0.000 0.208 247 L C 2.880 179.706 176.870 -0.074 0.000 1.095 247 L CA 0.800 55.517 54.840 -0.205 0.000 0.770 247 L CB -0.966 41.051 42.059 -0.070 0.000 0.914 247 L HN 0.388 nan 8.230 nan 0.000 0.439 248 A N 1.076 123.864 122.820 -0.053 0.000 1.909 248 A HA -0.238 4.082 4.320 0.000 0.000 0.221 248 A C -0.075 177.479 177.584 -0.051 0.000 1.223 248 A CA 2.488 54.502 52.037 -0.038 0.000 0.658 248 A CB -2.026 16.964 19.000 -0.016 0.000 0.831 248 A HN 0.288 nan 8.150 nan 0.000 0.462 249 P HA -0.077 nan 4.420 nan 0.000 0.216 249 P C 1.069 178.274 177.300 -0.159 0.000 1.153 249 P CA 1.065 64.071 63.100 -0.157 0.000 0.848 249 P CB -0.186 31.205 31.700 -0.515 0.000 0.787 250 F N -0.542 119.357 119.950 -0.085 0.000 2.113 250 F HA -0.134 4.393 4.527 0.000 0.000 0.297 250 F C 2.395 178.177 175.800 -0.030 0.000 1.103 250 F CA 1.439 59.392 58.000 -0.079 0.000 1.248 250 F CB -2.033 36.866 39.000 -0.168 0.000 0.999 250 F HN -0.135 nan 8.300 nan 0.000 0.475 251 T N 0.302 114.940 114.554 0.139 0.000 2.597 251 T HA -0.297 4.053 4.350 0.000 0.000 0.267 251 T C 2.288 177.028 174.700 0.067 0.000 1.053 251 T CA 1.835 63.977 62.100 0.070 0.000 1.165 251 T CB -0.868 68.012 68.868 0.020 0.000 0.863 251 T HN 0.313 nan 8.240 nan 0.000 0.427 252 A N 1.147 124.002 122.820 0.059 0.000 1.972 252 A HA 0.199 4.519 4.320 0.000 0.000 0.219 252 A C 2.602 180.233 177.584 0.078 0.000 1.169 252 A CA 1.794 53.864 52.037 0.054 0.000 0.635 252 A CB -0.970 18.044 19.000 0.023 0.000 0.810 252 A HN 0.533 nan 8.150 nan 0.000 0.446 253 A N -0.451 122.441 122.820 0.120 0.000 1.898 253 A HA -0.032 4.288 4.320 0.000 0.000 0.216 253 A C 2.410 180.075 177.584 0.135 0.000 1.181 253 A CA 1.909 54.033 52.037 0.144 0.000 0.620 253 A CB -0.764 18.355 19.000 0.198 0.000 0.819 253 A HN 0.453 nan 8.150 nan 0.000 0.442 254 S N 0.051 115.826 115.700 0.125 0.000 2.382 254 S HA -0.100 4.370 4.470 0.000 0.000 0.228 254 S C 1.772 176.444 174.600 0.120 0.000 1.027 254 S CA 1.393 59.660 58.200 0.112 0.000 0.991 254 S CB -0.495 62.757 63.200 0.087 0.000 0.823 254 S HN 0.553 nan 8.310 nan 0.000 0.469 255 I N 1.451 122.085 120.570 0.107 0.000 2.226 255 I HA -0.150 4.020 4.170 0.000 0.000 0.245 255 I C 2.641 178.891 176.117 0.221 0.000 1.100 255 I CA 1.357 62.720 61.300 0.106 0.000 1.374 255 I CB -0.749 37.298 38.000 0.080 0.000 1.057 255 I HN 0.387 nan 8.210 nan 0.000 0.413 256 G N -0.335 108.623 108.800 0.264 0.000 2.511 256 G HA2 -0.127 3.833 3.960 0.000 0.000 0.217 256 G HA3 -0.127 3.833 3.960 0.000 0.000 0.217 256 G C 1.499 176.625 174.900 0.376 0.000 1.133 256 G CA 0.067 45.417 45.100 0.416 0.000 0.792 256 G HN 0.359 nan 8.290 nan 0.000 0.539 257 E N -0.501 119.838 120.200 0.233 0.000 2.153 257 E HA -0.154 4.196 4.350 0.000 0.000 0.194 257 E C 1.894 178.575 176.600 0.134 0.000 0.988 257 E CA 0.522 57.018 56.400 0.159 0.000 0.811 257 E CB -0.185 29.584 29.700 0.115 0.000 0.746 257 E HN 0.633 nan 8.360 nan 0.000 0.466 258 W N 0.770 122.040 121.300 -0.050 0.000 2.304 258 W HA -0.301 4.359 4.660 0.000 0.000 0.315 258 W C 1.605 178.009 176.519 -0.192 0.000 1.233 258 W CA 1.869 59.105 57.345 -0.180 0.000 1.261 258 W CB -0.487 28.769 29.460 -0.340 0.000 1.150 258 W HN 0.011 nan 8.180 nan 0.000 0.494 259 F N 0.271 120.340 119.950 0.198 0.000 2.069 259 F HA -0.217 4.310 4.527 0.000 0.000 0.298 259 F C 2.805 178.512 175.800 -0.155 0.000 1.113 259 F CA 2.423 60.439 58.000 0.028 0.000 1.214 259 F CB -1.483 37.627 39.000 0.183 0.000 0.978 259 F HN -0.163 nan 8.300 nan 0.000 0.474 260 R N 0.590 121.153 120.500 0.106 0.000 2.105 260 R HA -0.186 4.154 4.340 0.000 0.000 0.239 260 R C 1.377 177.606 176.300 -0.118 0.000 1.135 260 R CA 1.999 58.084 56.100 -0.025 0.000 0.967 260 R CB -0.522 29.794 30.300 0.027 0.000 0.861 260 R HN 0.203 nan 8.270 nan 0.000 0.442 261 D N 0.050 120.349 120.400 -0.168 0.000 2.348 261 D HA -0.055 4.585 4.640 0.000 0.000 0.216 261 D C 0.262 176.368 176.300 -0.323 0.000 0.970 261 D CA 0.748 54.612 54.000 -0.226 0.000 0.889 261 D CB -0.005 40.650 40.800 -0.243 0.000 0.912 261 D HN 0.185 nan 8.370 nan 0.000 0.524 262 N N -0.378 118.077 118.700 -0.408 0.000 2.480 262 N HA 0.173 4.913 4.740 0.000 0.000 0.281 262 N C 0.608 175.962 175.510 -0.259 0.000 1.381 262 N CA 0.073 52.856 53.050 -0.446 0.000 0.903 262 N CB 1.237 39.203 38.487 -0.868 0.000 1.274 262 N HN 0.031 nan 8.380 nan 0.000 0.505 263 G N 1.014 109.693 108.800 -0.201 0.000 2.225 263 G HA2 -0.322 3.638 3.960 0.000 0.000 0.267 263 G HA3 -0.322 3.638 3.960 0.000 0.000 0.267 263 G C 0.259 175.051 174.900 -0.179 0.000 1.024 263 G CA 0.858 45.862 45.100 -0.159 0.000 0.784 263 G HN 0.342 nan 8.290 nan 0.000 0.507 264 K N -0.994 119.279 120.400 -0.213 0.000 2.331 264 K HA 0.742 5.062 4.320 0.000 0.000 0.238 264 K C -0.330 176.042 176.600 -0.379 0.000 1.058 264 K CA -0.976 55.247 56.287 -0.108 0.000 0.871 264 K CB 1.168 33.838 32.500 0.284 0.000 1.292 264 K HN 0.285 nan 8.250 nan 0.000 0.470 265 H N -0.017 119.139 119.070 0.144 0.000 2.970 265 H HA 0.414 4.970 4.556 0.000 0.000 0.315 265 H C -1.210 174.120 175.328 0.003 0.000 0.992 265 H CA -0.742 55.330 56.048 0.040 0.000 1.363 265 H CB 1.600 31.326 29.762 -0.061 0.000 1.532 265 H HN 0.635 nan 8.280 nan 0.000 0.514 266 A N 3.262 126.142 122.820 0.100 0.000 2.303 266 A HA 0.528 4.848 4.320 0.000 0.000 0.317 266 A C -0.649 176.943 177.584 0.013 0.000 1.149 266 A CA -0.648 51.392 52.037 0.005 0.000 0.822 266 A CB 1.138 20.182 19.000 0.073 0.000 1.131 266 A HN 0.484 nan 8.150 nan 0.000 0.493 267 L N 2.350 123.561 121.223 -0.020 0.000 2.333 267 L HA 0.716 5.056 4.340 0.000 0.000 0.280 267 L C -0.823 176.009 176.870 -0.063 0.000 1.004 267 L CA -0.368 54.450 54.840 -0.036 0.000 0.820 267 L CB 1.214 43.252 42.059 -0.034 0.000 1.247 267 L HN 0.664 nan 8.230 nan 0.000 0.416 268 I N 5.353 125.841 120.570 -0.137 0.000 2.404 268 I HA 0.564 4.734 4.170 0.000 0.000 0.293 268 I C -1.216 174.654 176.117 -0.412 0.000 0.992 268 I CA -0.688 60.435 61.300 -0.295 0.000 1.149 268 I CB 1.689 39.438 38.000 -0.418 0.000 1.315 268 I HN 0.405 nan 8.210 nan 0.000 0.446 269 V N 8.142 127.819 119.914 -0.395 0.000 2.350 269 V HA 0.285 4.405 4.120 0.000 0.000 0.285 269 V C -1.066 174.716 176.094 -0.519 0.000 1.014 269 V CA -0.477 61.614 62.300 -0.349 0.000 0.831 269 V CB 0.927 32.690 31.823 -0.101 0.000 1.000 269 V HN 0.479 nan 8.190 nan 0.000 0.433 270 Y N 2.617 122.776 120.300 -0.236 0.000 2.535 270 Y HA 0.457 5.007 4.550 0.000 0.000 0.349 270 Y C 0.400 176.133 175.900 -0.278 0.000 0.992 270 Y CA -0.745 57.192 58.100 -0.272 0.000 1.248 270 Y CB 0.567 38.891 38.460 -0.226 0.000 1.124 270 Y HN 0.516 nan 8.280 nan 0.000 0.520 271 D N 3.693 123.937 120.400 -0.259 0.000 2.446 271 D HA 0.196 4.836 4.640 0.000 0.000 0.251 271 D C -1.239 174.997 176.300 -0.107 0.000 1.137 271 D CA -0.492 53.390 54.000 -0.197 0.000 0.890 271 D CB 0.465 41.089 40.800 -0.294 0.000 1.071 271 D HN 0.678 nan 8.370 nan 0.000 0.528 272 D N 0.777 121.153 120.400 -0.039 0.000 2.493 272 D HA 0.270 4.910 4.640 0.000 0.000 0.239 272 D C 1.053 177.338 176.300 -0.025 0.000 1.049 272 D CA -0.740 53.239 54.000 -0.034 0.000 1.008 272 D CB 1.246 42.034 40.800 -0.020 0.000 1.398 272 D HN 0.106 nan 8.370 nan 0.000 0.513 273 L N 0.067 121.252 121.223 -0.063 0.000 2.313 273 L HA -0.031 4.309 4.340 0.000 0.000 0.214 273 L C 1.909 178.817 176.870 0.063 0.000 1.119 273 L CA 0.490 55.290 54.840 -0.067 0.000 0.809 273 L CB -0.348 41.494 42.059 -0.361 0.000 0.933 273 L HN 0.426 nan 8.230 nan 0.000 0.449 274 S N 0.383 116.106 115.700 0.039 0.000 2.370 274 S HA -0.214 4.256 4.470 0.000 0.000 0.226 274 S C 1.948 176.632 174.600 0.141 0.000 1.033 274 S CA 1.512 59.769 58.200 0.095 0.000 1.011 274 S CB -0.092 63.148 63.200 0.066 0.000 0.852 274 S HN 0.397 nan 8.310 nan 0.000 0.457 275 K N 0.928 121.391 120.400 0.105 0.000 2.103 275 K HA -0.011 4.309 4.320 0.000 0.000 0.204 275 K C 2.457 179.140 176.600 0.140 0.000 1.052 275 K CA 0.732 57.087 56.287 0.112 0.000 0.945 275 K CB -0.132 32.415 32.500 0.077 0.000 0.722 275 K HN 0.295 nan 8.250 nan 0.000 0.443 276 Q N 0.895 120.773 119.800 0.129 0.000 2.050 276 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 276 Q C 2.073 178.203 176.000 0.215 0.000 0.980 276 Q CA 1.744 57.636 55.803 0.149 0.000 0.840 276 Q CB -0.116 28.666 28.738 0.073 0.000 0.898 276 Q HN 0.321 nan 8.270 nan 0.000 0.424 277 A N 0.193 123.139 122.820 0.210 0.000 1.883 277 A HA -0.152 4.168 4.320 0.000 0.000 0.217 277 A C 2.277 180.140 177.584 0.464 0.000 1.186 277 A CA 1.675 53.877 52.037 0.276 0.000 0.624 277 A CB -0.885 18.240 19.000 0.209 0.000 0.822 277 A HN 0.305 nan 8.150 nan 0.000 0.444 278 V N -0.252 119.881 119.914 0.366 0.000 2.343 278 V HA -0.263 3.858 4.120 0.000 0.000 0.247 278 V C 3.048 179.236 176.094 0.157 0.000 1.051 278 V CA 1.998 64.436 62.300 0.231 0.000 1.036 278 V CB -1.087 30.837 31.823 0.167 0.000 0.654 278 V HN 0.638 nan 8.190 nan 0.000 0.451 279 A N -1.236 121.697 122.820 0.189 0.000 1.902 279 A HA -0.267 4.053 4.320 0.000 0.000 0.217 279 A C 2.144 179.839 177.584 0.185 0.000 1.181 279 A CA 2.014 54.156 52.037 0.175 0.000 0.623 279 A CB -0.743 18.383 19.000 0.210 0.000 0.818 279 A HN 0.632 nan 8.150 nan 0.000 0.443 280 Y N 0.288 120.662 120.300 0.124 0.000 2.242 280 Y HA -0.150 4.400 4.550 0.000 0.000 0.291 280 Y C 2.486 178.401 175.900 0.026 0.000 1.137 280 Y CA 1.875 60.011 58.100 0.059 0.000 1.181 280 Y CB -0.307 38.229 38.460 0.126 0.000 0.989 280 Y HN 0.336 nan 8.280 nan 0.000 0.527 281 R N 0.236 120.786 120.500 0.084 0.000 2.081 281 R HA -0.250 4.090 4.340 0.000 0.000 0.235 281 R C 2.430 178.646 176.300 -0.141 0.000 1.131 281 R CA 1.936 57.993 56.100 -0.071 0.000 0.960 281 R CB -0.413 29.764 30.300 -0.204 0.000 0.856 281 R HN 0.521 nan 8.270 nan 0.000 0.436 282 Q N 0.524 120.269 119.800 -0.092 0.000 1.998 282 Q HA -0.233 4.107 4.340 0.000 0.000 0.209 282 Q C 2.191 178.116 176.000 -0.125 0.000 1.002 282 Q CA 2.482 58.234 55.803 -0.085 0.000 0.858 282 Q CB -0.239 28.480 28.738 -0.033 0.000 0.932 282 Q HN 0.444 nan 8.270 nan 0.000 0.416 283 L N 0.091 121.214 121.223 -0.167 0.000 1.978 283 L HA -0.277 4.063 4.340 0.000 0.000 0.218 283 L C 2.638 179.365 176.870 -0.238 0.000 1.075 283 L CA 1.757 56.468 54.840 -0.215 0.000 0.767 283 L CB -0.868 40.998 42.059 -0.322 0.000 0.890 283 L HN 0.255 nan 8.230 nan 0.000 0.434 284 S N 0.078 115.576 115.700 -0.338 0.000 2.359 284 S HA -0.148 4.322 4.470 0.000 0.000 0.224 284 S C 2.018 176.525 174.600 -0.154 0.000 1.035 284 S CA 1.302 59.341 58.200 -0.268 0.000 1.018 284 S CB -0.401 62.614 63.200 -0.309 0.000 0.876 284 S HN 0.271 nan 8.310 nan 0.000 0.448 285 L N 0.911 122.051 121.223 -0.139 0.000 2.046 285 L HA -0.098 4.242 4.340 0.000 0.000 0.208 285 L C 2.252 179.074 176.870 -0.081 0.000 1.077 285 L CA 1.110 55.892 54.840 -0.097 0.000 0.747 285 L CB -0.547 41.454 42.059 -0.096 0.000 0.896 285 L HN 0.296 nan 8.230 nan 0.000 0.432 286 L N -0.791 120.379 121.223 -0.087 0.000 2.109 286 L HA -0.186 4.154 4.340 0.000 0.000 0.207 286 L C 2.238 179.070 176.870 -0.064 0.000 1.086 286 L CA 0.888 55.687 54.840 -0.068 0.000 0.760 286 L CB -0.291 41.729 42.059 -0.066 0.000 0.910 286 L HN 0.259 nan 8.230 nan 0.000 0.437 287 L N -0.456 120.719 121.223 -0.081 0.000 2.610 287 L HA 0.010 4.350 4.340 0.000 0.000 0.232 287 L C 0.798 177.636 176.870 -0.054 0.000 1.149 287 L CA 0.286 55.085 54.840 -0.068 0.000 0.872 287 L CB -0.190 41.816 42.059 -0.087 0.000 0.992 287 L HN 0.262 nan 8.230 nan 0.000 0.447 288 R N 0.025 120.492 120.500 -0.055 0.000 3.770 288 R HA -0.167 4.173 4.340 0.000 0.000 0.305 288 R C -0.058 176.218 176.300 -0.039 0.000 1.184 288 R CA 0.388 56.462 56.100 -0.042 0.000 0.823 288 R CB -1.701 28.581 30.300 -0.030 0.000 1.285 288 R HN 0.403 nan 8.270 nan 0.000 0.499 289 R N 1.851 122.320 120.500 -0.052 0.000 2.442 289 R HA 0.142 4.482 4.340 0.000 0.000 0.291 289 R C -1.803 174.479 176.300 -0.030 0.000 1.069 289 R CA -1.369 54.707 56.100 -0.040 0.000 1.022 289 R CB 0.283 30.550 30.300 -0.056 0.000 0.976 289 R HN -0.026 nan 8.270 nan 0.000 0.443 290 P HA 0.002 nan 4.420 nan 0.000 0.262 290 P C -2.456 174.841 177.300 -0.005 0.000 1.182 290 P CA -0.774 62.321 63.100 -0.009 0.000 0.761 290 P CB 0.074 31.773 31.700 -0.001 0.000 0.795 291 P HA 0.385 nan 4.420 nan 0.000 0.292 291 P C 0.077 177.370 177.300 -0.011 0.000 1.283 291 P CA -0.166 62.926 63.100 -0.012 0.000 0.835 291 P CB 1.840 33.521 31.700 -0.032 0.000 1.017 292 G N 1.630 110.425 108.800 -0.008 0.000 3.175 292 G HA2 0.426 4.386 3.960 0.000 0.000 0.153 292 G HA3 0.426 4.386 3.960 0.000 0.000 0.153 292 G C -0.500 174.351 174.900 -0.082 0.000 1.216 292 G CA -0.823 44.251 45.100 -0.043 0.000 0.943 292 G HN 0.578 nan 8.290 nan 0.000 0.611 293 R N 0.506 120.895 120.500 -0.185 0.000 2.494 293 R HA 0.052 4.392 4.340 0.000 0.000 0.291 293 R C 0.444 176.666 176.300 -0.130 0.000 0.953 293 R CA 1.437 57.390 56.100 -0.245 0.000 1.098 293 R CB -0.679 29.313 30.300 -0.512 0.000 0.911 293 R HN 0.721 nan 8.270 nan 0.000 0.407 294 E N 3.035 123.231 120.200 -0.006 0.000 2.883 294 E HA -0.355 3.995 4.350 0.000 0.000 0.271 294 E C 0.324 176.931 176.600 0.013 0.000 1.049 294 E CA 0.715 57.173 56.400 0.096 0.000 0.817 294 E CB -1.298 28.587 29.700 0.308 0.000 1.407 294 E HN 0.939 nan 8.360 nan 0.000 0.434 295 A N -2.490 120.314 122.820 -0.027 0.000 3.413 295 A HA -0.308 4.012 4.320 0.000 0.000 0.268 295 A C 0.123 177.649 177.584 -0.098 0.000 1.128 295 A CA 1.778 53.767 52.037 -0.080 0.000 1.062 295 A CB -2.078 16.852 19.000 -0.117 0.000 1.121 295 A HN 0.434 nan 8.150 nan 0.000 0.895 296 Y N 0.806 121.118 120.300 0.020 0.000 2.379 296 Y HA 0.414 4.964 4.550 0.000 0.000 0.337 296 Y C -1.162 174.781 175.900 0.073 0.000 1.238 296 Y CA -0.915 57.239 58.100 0.091 0.000 1.405 296 Y CB 0.253 38.837 38.460 0.208 0.000 1.310 296 Y HN 0.268 nan 8.280 nan 0.000 0.569 297 P HA 0.037 nan 4.420 nan 0.000 0.274 297 P C 0.585 178.029 177.300 0.240 0.000 1.237 297 P CA -0.111 63.104 63.100 0.193 0.000 0.793 297 P CB 0.873 32.673 31.700 0.167 0.000 0.977 298 G N 1.132 110.032 108.800 0.167 0.000 2.537 298 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 298 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 298 G C 0.157 175.189 174.900 0.220 0.000 1.111 298 G CA 0.609 45.804 45.100 0.159 0.000 0.748 298 G HN 0.661 nan 8.290 nan 0.000 0.564 299 D N -0.986 119.585 120.400 0.285 0.000 2.938 299 D HA 0.199 4.839 4.640 0.000 0.000 0.369 299 D C 0.878 177.375 176.300 0.329 0.000 1.301 299 D CA -0.708 53.490 54.000 0.331 0.000 0.805 299 D CB 0.435 41.440 40.800 0.341 0.000 1.161 299 D HN -0.037 nan 8.370 nan 0.000 0.474 300 V N -0.380 119.729 119.914 0.325 0.000 2.951 300 V HA 0.036 4.156 4.120 0.000 0.000 0.255 300 V C 1.401 177.518 176.094 0.039 0.000 1.088 300 V CA 0.856 63.254 62.300 0.163 0.000 1.109 300 V CB -0.512 31.458 31.823 0.245 0.000 0.724 300 V HN 0.343 nan 8.190 nan 0.000 0.471 301 F N 0.004 119.986 119.950 0.054 0.000 2.084 301 F HA -0.167 4.360 4.527 0.000 0.000 0.296 301 F C 2.207 178.064 175.800 0.094 0.000 1.111 301 F CA 2.352 60.375 58.000 0.039 0.000 1.224 301 F CB -0.557 38.483 39.000 0.065 0.000 0.991 301 F HN 0.333 nan 8.300 nan 0.000 0.471 302 Y N 0.859 121.302 120.300 0.238 0.000 2.193 302 Y HA -0.260 4.290 4.550 0.000 0.000 0.285 302 Y C 2.126 178.032 175.900 0.011 0.000 1.166 302 Y CA 1.719 59.897 58.100 0.130 0.000 1.181 302 Y CB -0.954 37.593 38.460 0.144 0.000 0.976 302 Y HN 0.254 nan 8.280 nan 0.000 0.520 303 L N -0.417 120.714 121.223 -0.154 0.000 2.012 303 L HA -0.258 4.082 4.340 0.000 0.000 0.210 303 L C 2.220 178.967 176.870 -0.204 0.000 1.073 303 L CA 2.424 57.090 54.840 -0.290 0.000 0.748 303 L CB -0.812 40.935 42.059 -0.520 0.000 0.891 303 L HN 0.338 nan 8.230 nan 0.000 0.431 304 H N -1.647 117.268 119.070 -0.258 0.000 2.448 304 H HA -0.035 4.521 4.556 0.000 0.000 0.292 304 H C 2.393 177.521 175.328 -0.334 0.000 1.035 304 H CA 0.848 56.690 56.048 -0.343 0.000 1.349 304 H CB 0.154 29.684 29.762 -0.387 0.000 1.425 304 H HN 0.569 nan 8.280 nan 0.000 0.539 305 S N 0.776 116.344 115.700 -0.221 0.000 2.383 305 S HA -0.134 4.336 4.470 0.000 0.000 0.227 305 S C 2.015 176.576 174.600 -0.066 0.000 1.026 305 S CA 0.535 58.632 58.200 -0.172 0.000 0.981 305 S CB -0.074 63.042 63.200 -0.141 0.000 0.818 305 S HN 0.295 nan 8.310 nan 0.000 0.472 306 R N 0.317 120.759 120.500 -0.096 0.000 2.096 306 R HA -0.068 4.272 4.340 0.000 0.000 0.240 306 R C 2.427 178.752 176.300 0.041 0.000 1.139 306 R CA 1.772 57.827 56.100 -0.074 0.000 0.952 306 R CB -0.647 29.500 30.300 -0.254 0.000 0.854 306 R HN 0.491 nan 8.270 nan 0.000 0.436 307 L N 0.577 121.830 121.223 0.050 0.000 2.044 307 L HA -0.087 4.253 4.340 0.000 0.000 0.205 307 L C 1.926 178.747 176.870 -0.083 0.000 1.075 307 L CA 1.605 56.417 54.840 -0.048 0.000 0.747 307 L CB -0.192 41.594 42.059 -0.456 0.000 0.903 307 L HN 0.123 nan 8.230 nan 0.000 0.435 308 L N -0.674 120.472 121.223 -0.127 0.000 2.313 308 L HA -0.034 4.306 4.340 0.000 0.000 0.214 308 L C 2.365 179.229 176.870 -0.011 0.000 1.119 308 L CA 0.379 55.173 54.840 -0.077 0.000 0.809 308 L CB -0.500 41.475 42.059 -0.141 0.000 0.933 308 L HN 0.271 nan 8.230 nan 0.000 0.449 309 E N 0.333 120.529 120.200 -0.006 0.000 2.268 309 E HA -0.150 4.200 4.350 0.000 0.000 0.195 309 E C 2.124 178.746 176.600 0.038 0.000 0.995 309 E CA 0.618 57.030 56.400 0.020 0.000 0.836 309 E CB 0.013 29.732 29.700 0.031 0.000 0.763 309 E HN 0.470 nan 8.360 nan 0.000 0.491 310 R N 0.744 121.274 120.500 0.050 0.000 2.148 310 R HA 0.037 4.377 4.340 0.000 0.000 0.227 310 R C 0.968 177.308 176.300 0.066 0.000 1.103 310 R CA 0.566 56.705 56.100 0.064 0.000 0.983 310 R CB -0.056 30.296 30.300 0.086 0.000 0.874 310 R HN -0.066 nan 8.270 nan 0.000 0.451 311 A N 1.302 124.163 122.820 0.069 0.000 2.476 311 A HA 0.486 4.806 4.320 0.000 0.000 0.275 311 A C -0.123 177.489 177.584 0.046 0.000 1.133 311 A CA 0.223 52.297 52.037 0.061 0.000 0.797 311 A CB 0.018 19.056 19.000 0.064 0.000 1.081 311 A HN 0.336 nan 8.150 nan 0.000 0.510 312 A N 2.728 125.576 122.820 0.045 0.000 2.564 312 A HA 0.841 5.161 4.320 0.000 0.000 0.288 312 A C -0.522 177.089 177.584 0.046 0.000 1.164 312 A CA -0.801 51.261 52.037 0.040 0.000 0.712 312 A CB 1.172 20.193 19.000 0.035 0.000 1.303 312 A HN 0.823 nan 8.150 nan 0.000 0.418 313 K N 0.624 121.053 120.400 0.048 0.000 2.274 313 K HA 0.693 5.013 4.320 0.000 0.000 0.262 313 K C -1.600 175.029 176.600 0.048 0.000 0.961 313 K CA -0.168 56.157 56.287 0.064 0.000 0.833 313 K CB 0.676 33.226 32.500 0.083 0.000 1.102 313 K HN 0.564 nan 8.250 nan 0.000 0.436 314 L N 3.323 124.569 121.223 0.038 0.000 2.343 314 L HA 0.433 4.773 4.340 0.000 0.000 0.275 314 L C 0.325 177.208 176.870 0.022 0.000 1.056 314 L CA -0.943 53.907 54.840 0.018 0.000 0.804 314 L CB 1.714 43.769 42.059 -0.007 0.000 1.203 314 L HN 0.898 nan 8.230 nan 0.000 0.440 315 S N 0.224 115.929 115.700 0.009 0.000 2.580 315 S HA 0.032 4.502 4.470 0.000 0.000 0.266 315 S C 0.886 175.487 174.600 0.002 0.000 1.354 315 S CA -0.531 57.671 58.200 0.003 0.000 1.008 315 S CB 0.750 63.947 63.200 -0.005 0.000 0.898 315 S HN 0.701 nan 8.310 nan 0.000 0.555 316 E N 0.803 121.002 120.200 -0.001 0.000 2.114 316 E HA -0.257 4.093 4.350 0.000 0.000 0.199 316 E C 1.977 178.573 176.600 -0.007 0.000 1.008 316 E CA 1.570 57.969 56.400 -0.001 0.000 0.810 316 E CB -0.179 29.518 29.700 -0.005 0.000 0.739 316 E HN 0.734 nan 8.360 nan 0.000 0.456 317 K N 0.730 121.124 120.400 -0.010 0.000 2.147 317 K HA -0.210 4.110 4.320 0.000 0.000 0.205 317 K C 1.545 178.134 176.600 -0.019 0.000 1.049 317 K CA 1.348 57.627 56.287 -0.013 0.000 0.936 317 K CB 0.109 32.602 32.500 -0.012 0.000 0.722 317 K HN -0.086 nan 8.250 nan 0.000 0.446 318 E N -1.491 118.697 120.200 -0.020 0.000 2.481 318 E HA 0.105 4.455 4.350 0.000 0.000 0.198 318 E C 0.330 176.904 176.600 -0.043 0.000 1.027 318 E CA 0.575 56.958 56.400 -0.029 0.000 0.900 318 E CB 0.967 30.653 29.700 -0.024 0.000 0.993 318 E HN 0.512 nan 8.360 nan 0.000 0.482 319 G N -0.736 108.042 108.800 -0.036 0.000 2.184 319 G HA2 -0.255 3.705 3.960 0.000 0.000 0.206 319 G HA3 -0.255 3.705 3.960 0.000 0.000 0.206 319 G C 0.595 175.470 174.900 -0.042 0.000 0.995 319 G CA 0.048 45.119 45.100 -0.048 0.000 0.651 319 G HN 0.239 nan 8.290 nan 0.000 0.511 320 S N -1.431 114.259 115.700 -0.016 0.000 3.380 320 S HA -0.157 4.313 4.470 0.000 0.000 0.300 320 S C 1.600 176.185 174.600 -0.025 0.000 1.255 320 S CA 1.658 59.872 58.200 0.024 0.000 0.963 320 S CB -1.513 61.727 63.200 0.067 0.000 1.106 320 S HN 2.176 nan 8.310 nan 0.000 0.629 321 G N 0.223 108.950 108.800 -0.123 0.000 2.572 321 G HA2 0.556 4.516 3.960 0.000 0.000 0.261 321 G HA3 0.556 4.516 3.960 0.000 0.000 0.261 321 G C -0.302 174.509 174.900 -0.149 0.000 1.197 321 G CA -0.012 44.921 45.100 -0.278 0.000 0.870 321 G HN 0.408 nan 8.290 nan 0.000 0.548 322 S N -0.982 114.622 115.700 -0.160 0.000 2.540 322 S HA 0.509 4.979 4.470 0.000 0.000 0.275 322 S C -1.496 173.148 174.600 0.074 0.000 1.123 322 S CA -0.442 57.800 58.200 0.072 0.000 0.907 322 S CB 1.784 65.198 63.200 0.357 0.000 1.081 322 S HN 0.589 nan 8.310 nan 0.000 0.476 323 L N 2.975 124.241 121.223 0.070 0.000 2.372 323 L HA 0.644 4.984 4.340 0.000 0.000 0.274 323 L C -0.722 176.175 176.870 0.045 0.000 0.988 323 L CA 0.236 55.115 54.840 0.066 0.000 0.833 323 L CB 1.500 43.603 42.059 0.073 0.000 1.236 323 L HN 0.635 nan 8.230 nan 0.000 0.410 324 T N 4.349 118.916 114.554 0.022 0.000 2.794 324 T HA 0.822 5.172 4.350 0.000 0.000 0.280 324 T C -0.386 174.300 174.700 -0.024 0.000 0.987 324 T CA -0.318 61.782 62.100 0.000 0.000 0.993 324 T CB 1.398 70.255 68.868 -0.020 0.000 0.939 324 T HN 0.761 nan 8.240 nan 0.000 0.449 325 A N 3.624 126.439 122.820 -0.009 0.000 2.303 325 A HA 0.731 5.051 4.320 0.000 0.000 0.320 325 A C -0.395 177.180 177.584 -0.015 0.000 1.192 325 A CA -0.690 51.336 52.037 -0.020 0.000 0.821 325 A CB 0.402 19.471 19.000 0.115 0.000 1.188 325 A HN 0.872 nan 8.150 nan 0.000 0.492 326 L N 4.989 126.176 121.223 -0.060 0.000 2.426 326 L HA 0.317 4.657 4.340 0.000 0.000 0.255 326 L C -2.227 174.640 176.870 -0.005 0.000 1.080 326 L CA -1.734 53.088 54.840 -0.030 0.000 0.960 326 L CB 1.162 43.200 42.059 -0.036 0.000 1.326 326 L HN 0.495 nan 8.230 nan 0.000 0.441 327 P HA 0.130 nan 4.420 nan 0.000 0.275 327 P C -0.506 176.785 177.300 -0.015 0.000 1.228 327 P CA -0.154 62.996 63.100 0.083 0.000 0.786 327 P CB 1.998 33.701 31.700 0.005 0.000 0.927 328 V N 4.567 124.463 119.914 -0.031 0.000 2.435 328 V HA 0.373 4.493 4.120 0.000 0.000 0.290 328 V C 0.415 176.470 176.094 -0.066 0.000 1.030 328 V CA -0.543 61.729 62.300 -0.047 0.000 0.881 328 V CB 1.483 33.284 31.823 -0.037 0.000 0.983 328 V HN 0.430 nan 8.190 nan 0.000 0.445 329 I N 3.683 124.216 120.570 -0.063 0.000 2.466 329 I HA 0.401 4.571 4.170 0.000 0.000 0.289 329 I C 0.061 176.152 176.117 -0.042 0.000 1.026 329 I CA -0.285 60.981 61.300 -0.057 0.000 1.078 329 I CB 2.060 40.020 38.000 -0.066 0.000 1.249 329 I HN 0.738 nan 8.210 nan 0.000 0.429 330 E N 5.904 126.090 120.200 -0.023 0.000 2.103 330 E HA 0.208 4.558 4.350 0.000 0.000 0.254 330 E C -0.291 176.309 176.600 0.000 0.000 0.940 330 E CA -0.360 56.026 56.400 -0.024 0.000 0.771 330 E CB 0.707 30.400 29.700 -0.013 0.000 1.153 330 E HN 0.703 nan 8.360 nan 0.000 0.428 331 T N 1.654 116.208 114.554 -0.001 0.000 2.932 331 T HA 0.064 4.414 4.350 0.000 0.000 0.312 331 T C 0.324 175.047 174.700 0.040 0.000 1.071 331 T CA -0.587 61.538 62.100 0.041 0.000 1.128 331 T CB 1.112 70.035 68.868 0.091 0.000 0.984 331 T HN 0.273 nan 8.240 nan 0.000 0.549 332 Q N 1.299 121.135 119.800 0.060 0.000 2.360 332 Q HA 0.440 4.780 4.340 0.000 0.000 0.254 332 Q C 1.373 177.411 176.000 0.062 0.000 0.975 332 Q CA 0.596 56.433 55.803 0.057 0.000 0.912 332 Q CB 0.815 29.592 28.738 0.065 0.000 1.212 332 Q HN 1.238 nan 8.270 nan 0.000 0.452 333 G N 2.317 111.149 108.800 0.054 0.000 2.196 333 G HA2 -0.338 3.622 3.960 0.000 0.000 0.268 333 G HA3 -0.338 3.622 3.960 0.000 0.000 0.268 333 G C 0.739 175.689 174.900 0.083 0.000 0.975 333 G CA 0.662 45.799 45.100 0.061 0.000 0.648 333 G HN 1.372 nan 8.290 nan 0.000 0.538 334 G N -0.920 107.943 108.800 0.105 0.000 2.184 334 G HA2 -0.124 3.836 3.960 0.000 0.000 0.206 334 G HA3 -0.124 3.836 3.960 0.000 0.000 0.206 334 G C -0.011 174.984 174.900 0.158 0.000 0.995 334 G CA 0.777 45.985 45.100 0.180 0.000 0.651 334 G HN 1.104 nan 8.290 nan 0.000 0.511 335 D N 1.938 122.404 120.400 0.110 0.000 2.482 335 D HA 0.289 4.929 4.640 0.000 0.000 0.244 335 D C 2.144 178.499 176.300 0.091 0.000 1.242 335 D CA 0.573 54.625 54.000 0.087 0.000 1.097 335 D CB 0.336 41.183 40.800 0.078 0.000 1.109 335 D HN 0.654 nan 8.370 nan 0.000 0.510 336 V N 0.828 120.793 119.914 0.085 0.000 3.330 336 V HA -0.076 4.044 4.120 0.000 0.000 0.273 336 V C 1.400 177.520 176.094 0.042 0.000 1.179 336 V CA 0.959 63.300 62.300 0.069 0.000 1.174 336 V CB -0.342 31.490 31.823 0.014 0.000 0.794 336 V HN 0.266 nan 8.190 nan 0.000 0.527 337 S N -0.154 115.574 115.700 0.048 0.000 2.559 337 S HA 0.640 5.110 4.470 0.000 0.000 0.226 337 S C 1.194 175.841 174.600 0.079 0.000 1.000 337 S CA 0.160 58.391 58.200 0.051 0.000 0.948 337 S CB 0.349 63.574 63.200 0.043 0.000 0.870 337 S HN 0.864 nan 8.310 nan 0.000 0.497 338 A N 0.681 123.553 122.820 0.086 0.000 2.433 338 A HA 0.253 4.573 4.320 0.000 0.000 0.250 338 A C 0.910 178.579 177.584 0.142 0.000 1.113 338 A CA 0.199 52.309 52.037 0.121 0.000 0.794 338 A CB -0.231 18.838 19.000 0.115 0.000 1.067 338 A HN 0.382 nan 8.150 nan 0.000 0.510 339 Y N 0.073 120.402 120.300 0.048 0.000 2.089 339 Y HA -0.180 4.370 4.550 0.000 0.000 0.282 339 Y C 1.991 177.873 175.900 -0.031 0.000 1.139 339 Y CA 2.185 60.294 58.100 0.015 0.000 1.123 339 Y CB -0.137 38.336 38.460 0.022 0.000 0.980 339 Y HN 0.451 nan 8.280 nan 0.000 0.493 340 I N 0.534 120.993 120.570 -0.185 0.000 2.252 340 I HA -0.160 4.010 4.170 0.000 0.000 0.245 340 I C -0.510 175.519 176.117 -0.148 0.000 1.102 340 I CA 1.168 62.318 61.300 -0.251 0.000 1.385 340 I CB -2.719 35.179 38.000 -0.170 0.000 1.064 340 I HN 0.178 nan 8.210 nan 0.000 0.414 341 P HA -0.101 nan 4.420 nan 0.000 0.215 341 P C 1.771 179.045 177.300 -0.043 0.000 1.153 341 P CA 1.671 64.750 63.100 -0.036 0.000 0.853 341 P CB -0.191 31.522 31.700 0.022 0.000 0.788 342 T N -0.604 113.922 114.554 -0.046 0.000 2.720 342 T HA -0.148 4.202 4.350 0.000 0.000 0.268 342 T C 1.611 176.300 174.700 -0.018 0.000 1.037 342 T CA 1.471 63.556 62.100 -0.025 0.000 1.144 342 T CB -0.954 67.906 68.868 -0.012 0.000 0.864 342 T HN 0.120 nan 8.240 nan 0.000 0.444 343 N N 1.095 119.748 118.700 -0.078 0.000 2.043 343 N HA -0.079 4.661 4.740 0.000 0.000 0.193 343 N C 1.943 177.391 175.510 -0.103 0.000 1.037 343 N CA 0.991 54.042 53.050 0.001 0.000 0.851 343 N CB -0.799 37.624 38.487 -0.107 0.000 1.027 343 N HN 0.250 nan 8.380 nan 0.000 0.422 344 V N 1.231 121.053 119.914 -0.154 0.000 2.809 344 V HA -0.034 4.086 4.120 0.000 0.000 0.256 344 V C 2.111 178.139 176.094 -0.111 0.000 1.080 344 V CA 0.764 62.944 62.300 -0.200 0.000 1.102 344 V CB -0.357 31.304 31.823 -0.269 0.000 0.705 344 V HN 0.223 nan 8.190 nan 0.000 0.475 345 I N 1.007 121.545 120.570 -0.054 0.000 2.500 345 I HA -0.136 4.034 4.170 0.000 0.000 0.252 345 I C 2.488 178.606 176.117 0.002 0.000 1.142 345 I CA 1.545 62.834 61.300 -0.017 0.000 1.451 345 I CB -0.200 37.801 38.000 0.002 0.000 1.093 345 I HN 0.458 nan 8.210 nan 0.000 0.430 346 S N 0.217 115.935 115.700 0.030 0.000 2.527 346 S HA 0.104 4.574 4.470 0.000 0.000 0.222 346 S C 1.704 176.346 174.600 0.070 0.000 0.985 346 S CA 0.295 58.545 58.200 0.082 0.000 0.921 346 S CB -0.225 63.079 63.200 0.174 0.000 0.772 346 S HN 0.395 nan 8.310 nan 0.000 0.529 347 I N 1.836 122.394 120.570 -0.020 0.000 2.729 347 I HA 0.034 4.204 4.170 0.000 0.000 0.256 347 I C 1.671 177.760 176.117 -0.046 0.000 1.115 347 I CA 0.728 61.986 61.300 -0.070 0.000 1.446 347 I CB -0.550 37.320 38.000 -0.217 0.000 1.176 347 I HN 0.382 nan 8.210 nan 0.000 0.446 348 T N -1.594 112.927 114.554 -0.055 0.000 2.667 348 T HA 0.009 4.359 4.350 0.000 0.000 0.305 348 T C 0.453 175.147 174.700 -0.011 0.000 1.022 348 T CA -0.155 61.923 62.100 -0.036 0.000 0.995 348 T CB 0.564 69.408 68.868 -0.040 0.000 1.026 348 T HN 0.079 nan 8.240 nan 0.000 0.527 349 D N -0.090 120.307 120.400 -0.005 0.000 2.402 349 D HA 0.378 5.018 4.640 0.000 0.000 0.216 349 D C 0.795 177.098 176.300 0.005 0.000 1.128 349 D CA 0.263 54.265 54.000 0.003 0.000 0.833 349 D CB 0.370 41.172 40.800 0.005 0.000 0.971 349 D HN 0.928 nan 8.370 nan 0.000 0.503 350 G N 0.350 109.153 108.800 0.005 0.000 2.336 350 G HA2 0.261 4.221 3.960 0.000 0.000 0.300 350 G HA3 0.261 4.221 3.960 0.000 0.000 0.300 350 G C -1.837 173.074 174.900 0.018 0.000 1.375 350 G CA -0.873 44.234 45.100 0.012 0.000 0.885 350 G HN -0.050 nan 8.290 nan 0.000 0.599 351 Q N -0.899 118.922 119.800 0.035 0.000 2.372 351 Q HA 0.713 5.053 4.340 0.000 0.000 0.273 351 Q C -0.472 175.573 176.000 0.075 0.000 1.078 351 Q CA -0.509 55.331 55.803 0.061 0.000 0.806 351 Q CB 2.796 31.593 28.738 0.097 0.000 1.332 351 Q HN 0.550 nan 8.270 nan 0.000 0.435 352 I N 2.311 122.923 120.570 0.071 0.000 2.412 352 I HA 0.282 4.452 4.170 0.000 0.000 0.279 352 I C -0.830 175.346 176.117 0.097 0.000 1.063 352 I CA -0.566 60.778 61.300 0.074 0.000 1.193 352 I CB 0.284 38.304 38.000 0.033 0.000 1.370 352 I HN 0.475 nan 8.210 nan 0.000 0.479 353 F N 6.919 126.868 119.950 -0.002 0.000 2.456 353 F HA 0.426 4.953 4.527 0.000 0.000 0.358 353 F C -0.371 175.429 175.800 0.000 0.000 1.095 353 F CA -0.028 57.970 58.000 -0.004 0.000 1.216 353 F CB 0.572 39.571 39.000 -0.002 0.000 1.125 353 F HN 0.212 nan 8.300 nan 0.000 0.549 354 L N 6.170 127.048 121.223 -0.575 0.000 2.325 354 L HA 0.405 4.745 4.340 0.000 0.000 0.281 354 L C -0.493 176.123 176.870 -0.422 0.000 1.004 354 L CA -0.607 54.029 54.840 -0.341 0.000 0.823 354 L CB 1.582 43.499 42.059 -0.238 0.000 1.236 354 L HN 0.539 nan 8.230 nan 0.000 0.415 355 E N 1.528 121.649 120.200 -0.132 0.000 2.151 355 E HA 0.322 4.672 4.350 0.000 0.000 0.275 355 E C 0.397 176.929 176.600 -0.112 0.000 0.936 355 E CA -0.303 56.063 56.400 -0.057 0.000 0.777 355 E CB 2.242 32.006 29.700 0.106 0.000 1.108 355 E HN 0.765 nan 8.360 nan 0.000 0.401 356 A N 3.977 126.687 122.820 -0.182 0.000 1.917 356 A HA -0.245 4.075 4.320 0.000 0.000 0.219 356 A C 1.733 178.958 177.584 -0.599 0.000 1.182 356 A CA 1.591 53.402 52.037 -0.376 0.000 0.633 356 A CB -0.222 18.616 19.000 -0.270 0.000 0.819 356 A HN 0.703 nan 8.150 nan 0.000 0.448 357 E N -0.580 119.461 120.200 -0.265 0.000 2.204 357 E HA -0.061 4.289 4.350 0.000 0.000 0.194 357 E C 1.841 178.406 176.600 -0.059 0.000 0.989 357 E CA 0.594 56.916 56.400 -0.129 0.000 0.824 357 E CB -0.162 29.553 29.700 0.024 0.000 0.756 357 E HN 0.649 nan 8.360 nan 0.000 0.477 358 L N -0.193 121.007 121.223 -0.040 0.000 2.179 358 L HA -0.094 4.246 4.340 0.000 0.000 0.208 358 L C 2.241 179.119 176.870 0.014 0.000 1.096 358 L CA 0.513 55.361 54.840 0.013 0.000 0.779 358 L CB -0.269 41.813 42.059 0.038 0.000 0.922 358 L HN 0.138 nan 8.230 nan 0.000 0.443 359 F N 0.287 120.128 119.950 -0.182 0.000 2.084 359 F HA -0.261 4.266 4.527 0.000 0.000 0.296 359 F C 2.399 178.195 175.800 -0.007 0.000 1.111 359 F CA 1.578 59.497 58.000 -0.135 0.000 1.224 359 F CB -0.266 38.603 39.000 -0.217 0.000 0.991 359 F HN -0.032 nan 8.300 nan 0.000 0.471 360 Y N 0.373 120.813 120.300 0.233 0.000 2.333 360 Y HA -0.148 4.402 4.550 0.000 0.000 0.290 360 Y C 2.253 178.166 175.900 0.022 0.000 1.144 360 Y CA 0.977 59.154 58.100 0.128 0.000 1.228 360 Y CB -1.330 37.210 38.460 0.133 0.000 0.985 360 Y HN 0.096 nan 8.280 nan 0.000 0.542 361 K N -0.387 120.100 120.400 0.145 0.000 2.525 361 K HA 0.090 4.410 4.320 0.000 0.000 0.192 361 K C 1.403 178.009 176.600 0.010 0.000 1.029 361 K CA 0.713 57.047 56.287 0.077 0.000 1.029 361 K CB -0.285 32.256 32.500 0.069 0.000 0.814 361 K HN 0.492 nan 8.250 nan 0.000 0.503 362 G N 1.039 109.805 108.800 -0.057 0.000 2.258 362 G HA2 -0.249 3.711 3.960 0.000 0.000 0.233 362 G HA3 -0.249 3.711 3.960 0.000 0.000 0.233 362 G C 0.226 175.045 174.900 -0.135 0.000 1.006 362 G CA 0.075 45.108 45.100 -0.112 0.000 0.620 362 G HN 0.268 nan 8.290 nan 0.000 0.511 363 I N 2.141 122.658 120.570 -0.088 0.000 2.574 363 I HA 0.344 4.514 4.170 0.000 0.000 0.291 363 I C 0.729 176.791 176.117 -0.092 0.000 1.131 363 I CA 0.438 61.703 61.300 -0.060 0.000 1.352 363 I CB 0.117 38.114 38.000 -0.006 0.000 1.431 363 I HN 0.100 nan 8.210 nan 0.000 0.543 364 R N 7.527 127.964 120.500 -0.104 0.000 2.538 364 R HA 0.414 4.754 4.340 0.000 0.000 0.292 364 R C -2.662 173.611 176.300 -0.044 0.000 1.008 364 R CA -1.747 54.289 56.100 -0.107 0.000 0.896 364 R CB 1.975 32.130 30.300 -0.240 0.000 1.187 364 R HN 0.260 nan 8.270 nan 0.000 0.440 365 P HA 0.035 nan 4.420 nan 0.000 0.271 365 P C -0.449 176.876 177.300 0.041 0.000 1.216 365 P CA -0.237 62.880 63.100 0.029 0.000 0.771 365 P CB 1.083 32.795 31.700 0.020 0.000 0.864 366 A N 5.033 127.908 122.820 0.092 0.000 3.046 366 A HA 0.163 4.483 4.320 0.000 0.000 0.259 366 A C 0.649 178.262 177.584 0.048 0.000 1.843 366 A CA -0.264 51.820 52.037 0.079 0.000 1.451 366 A CB -1.603 17.487 19.000 0.149 0.000 1.025 366 A HN 0.480 nan 8.150 nan 0.000 0.625 367 I N 1.464 122.064 120.570 0.049 0.000 2.301 367 I HA 0.058 4.228 4.170 0.000 0.000 0.292 367 I C 0.477 176.649 176.117 0.091 0.000 1.046 367 I CA -0.547 60.791 61.300 0.062 0.000 1.282 367 I CB 0.617 38.649 38.000 0.052 0.000 1.409 367 I HN 0.370 nan 8.210 nan 0.000 0.484 368 N N 6.478 125.264 118.700 0.142 0.000 2.400 368 N HA 0.022 4.762 4.740 0.000 0.000 0.267 368 N C 0.829 176.410 175.510 0.118 0.000 1.208 368 N CA 0.171 53.314 53.050 0.155 0.000 0.951 368 N CB 1.206 39.844 38.487 0.252 0.000 1.227 368 N HN 0.427 nan 8.380 nan 0.000 0.488 369 V N 3.554 123.523 119.914 0.091 0.000 2.407 369 V HA -0.148 3.972 4.120 0.000 0.000 0.248 369 V C 2.196 178.326 176.094 0.059 0.000 1.055 369 V CA 2.239 64.584 62.300 0.074 0.000 1.049 369 V CB -0.786 31.082 31.823 0.076 0.000 0.662 369 V HN 0.759 nan 8.190 nan 0.000 0.455 370 G N -1.064 107.768 108.800 0.053 0.000 2.511 370 G HA2 -0.067 3.893 3.960 0.000 0.000 0.217 370 G HA3 -0.067 3.893 3.960 0.000 0.000 0.217 370 G C 1.370 176.271 174.900 0.002 0.000 1.133 370 G CA 0.229 45.346 45.100 0.028 0.000 0.792 370 G HN 0.484 nan 8.290 nan 0.000 0.539 371 L N 0.828 122.051 121.223 0.000 0.000 2.640 371 L HA 0.248 4.588 4.340 0.000 0.000 0.230 371 L C 0.231 177.103 176.870 0.003 0.000 1.123 371 L CA -0.044 54.762 54.840 -0.057 0.000 0.900 371 L CB 0.424 42.366 42.059 -0.196 0.000 1.146 371 L HN 0.032 nan 8.230 nan 0.000 0.484 372 S N 0.435 116.165 115.700 0.050 0.000 2.475 372 S HA 0.652 5.122 4.470 0.000 0.000 0.298 372 S C -0.291 174.331 174.600 0.037 0.000 1.119 372 S CA -0.585 57.654 58.200 0.066 0.000 1.085 372 S CB 2.288 65.541 63.200 0.088 0.000 1.028 372 S HN 0.041 nan 8.310 nan 0.000 0.489 373 V N -0.354 119.578 119.914 0.031 0.000 3.114 373 V HA 0.876 4.996 4.120 0.000 0.000 0.308 373 V C -0.503 175.602 176.094 0.018 0.000 1.168 373 V CA -0.812 61.500 62.300 0.020 0.000 1.015 373 V CB 1.911 33.740 31.823 0.011 0.000 1.050 373 V HN 0.714 nan 8.190 nan 0.000 0.433 374 S N 1.285 116.993 115.700 0.013 0.000 2.622 374 S HA 0.449 4.919 4.470 0.000 0.000 0.283 374 S C 0.752 175.356 174.600 0.007 0.000 1.197 374 S CA -0.682 57.523 58.200 0.009 0.000 1.146 374 S CB 0.663 63.867 63.200 0.006 0.000 1.007 374 S HN 0.803 nan 8.310 nan 0.000 0.478 375 R N 2.565 123.069 120.500 0.007 0.000 2.355 375 R HA -0.040 4.300 4.340 0.000 0.000 0.219 375 R C 1.342 177.646 176.300 0.007 0.000 1.107 375 R CA 1.034 57.138 56.100 0.007 0.000 1.021 375 R CB -0.166 30.139 30.300 0.008 0.000 0.852 375 R HN 0.522 nan 8.270 nan 0.000 0.475 376 V N -0.787 119.131 119.914 0.006 0.000 2.403 376 V HA 0.123 4.243 4.120 0.000 0.000 0.239 376 V C 1.626 177.723 176.094 0.006 0.000 1.041 376 V CA 1.416 63.720 62.300 0.007 0.000 1.051 376 V CB -0.410 31.416 31.823 0.005 0.000 0.704 376 V HN 0.662 nan 8.190 nan 0.000 0.472 377 G N 0.485 109.287 108.800 0.003 0.000 2.531 377 G HA2 -0.375 3.585 3.960 0.000 0.000 0.274 377 G HA3 -0.375 3.585 3.960 0.000 0.000 0.274 377 G C 1.061 175.962 174.900 0.001 0.000 1.159 377 G CA 0.612 45.713 45.100 0.002 0.000 0.969 377 G HN 0.459 nan 8.290 nan 0.000 0.554 378 S N 0.547 116.249 115.700 0.003 0.000 2.409 378 S HA -0.166 4.304 4.470 0.000 0.000 0.237 378 S C 2.803 177.406 174.600 0.005 0.000 1.060 378 S CA 3.096 61.298 58.200 0.003 0.000 1.052 378 S CB -0.877 62.325 63.200 0.004 0.000 0.871 378 S HN 1.838 nan 8.310 nan 0.000 0.465 379 A N 1.273 124.099 122.820 0.010 0.000 1.908 379 A HA 0.192 4.512 4.320 0.000 0.000 0.218 379 A C 1.891 179.483 177.584 0.013 0.000 1.181 379 A CA 1.592 53.643 52.037 0.023 0.000 0.627 379 A CB -0.686 18.334 19.000 0.033 0.000 0.818 379 A HN 0.643 nan 8.150 nan 0.000 0.445 380 A N -0.945 121.870 122.820 -0.008 0.000 2.842 380 A HA 0.489 4.809 4.320 0.000 0.000 0.298 380 A C 0.267 177.820 177.584 -0.051 0.000 1.293 380 A CA -0.124 51.886 52.037 -0.044 0.000 0.959 380 A CB -0.334 18.636 19.000 -0.050 0.000 1.119 380 A HN 0.566 nan 8.150 nan 0.000 0.564 381 Q N 0.230 120.009 119.800 -0.034 0.000 2.337 381 Q HA 0.535 4.875 4.340 0.000 0.000 0.266 381 Q C -1.107 174.876 176.000 -0.028 0.000 1.023 381 Q CA -0.600 55.187 55.803 -0.027 0.000 0.829 381 Q CB 2.024 30.757 28.738 -0.009 0.000 1.306 381 Q HN 0.147 nan 8.270 nan 0.000 0.449 382 V N 5.016 124.914 119.914 -0.027 0.000 2.458 382 V HA -0.095 4.025 4.120 0.000 0.000 0.287 382 V C 1.348 177.440 176.094 -0.003 0.000 1.009 382 V CA 0.442 62.731 62.300 -0.020 0.000 1.091 382 V CB 0.516 32.335 31.823 -0.007 0.000 0.960 382 V HN 0.883 nan 8.190 nan 0.000 0.476 383 K N 5.805 126.203 120.400 -0.004 0.000 2.107 383 K HA -0.261 4.059 4.320 0.000 0.000 0.211 383 K C 2.052 178.659 176.600 0.013 0.000 1.049 383 K CA 2.196 58.486 56.287 0.005 0.000 0.927 383 K CB -0.460 32.042 32.500 0.004 0.000 0.714 383 K HN 0.817 nan 8.250 nan 0.000 0.452 384 A N 0.153 122.980 122.820 0.011 0.000 1.917 384 A HA -0.176 4.144 4.320 0.000 0.000 0.219 384 A C 2.105 179.708 177.584 0.031 0.000 1.182 384 A CA 1.796 53.843 52.037 0.016 0.000 0.633 384 A CB -0.686 18.318 19.000 0.007 0.000 0.819 384 A HN 0.350 nan 8.150 nan 0.000 0.448 385 L N -0.298 120.943 121.223 0.030 0.000 2.072 385 L HA -0.012 4.328 4.340 0.000 0.000 0.205 385 L C 2.247 179.142 176.870 0.042 0.000 1.079 385 L CA 2.266 57.131 54.840 0.041 0.000 0.752 385 L CB -0.593 41.486 42.059 0.034 0.000 0.906 385 L HN 0.449 nan 8.230 nan 0.000 0.436 386 K N -0.967 119.450 120.400 0.028 0.000 2.211 386 K HA -0.210 4.110 4.320 0.000 0.000 0.204 386 K C 1.947 178.567 176.600 0.032 0.000 1.047 386 K CA 1.406 57.707 56.287 0.024 0.000 0.935 386 K CB 0.064 32.572 32.500 0.014 0.000 0.728 386 K HN 0.522 nan 8.250 nan 0.000 0.452 387 Q N -0.101 119.725 119.800 0.042 0.000 2.049 387 Q HA -0.118 4.222 4.340 0.000 0.000 0.198 387 Q C 2.142 178.192 176.000 0.083 0.000 0.971 387 Q CA 1.765 57.602 55.803 0.056 0.000 0.833 387 Q CB 0.077 28.849 28.738 0.057 0.000 0.896 387 Q HN 0.318 nan 8.270 nan 0.000 0.434 388 V N -2.521 117.458 119.914 0.108 0.000 2.591 388 V HA 0.093 4.213 4.120 0.000 0.000 0.249 388 V C 1.862 178.017 176.094 0.103 0.000 1.053 388 V CA 1.391 63.780 62.300 0.148 0.000 1.068 388 V CB -0.715 31.234 31.823 0.209 0.000 0.689 388 V HN 0.216 nan 8.190 nan 0.000 0.462 389 A N 0.981 123.845 122.820 0.074 0.000 2.251 389 A HA 0.400 4.720 4.320 0.000 0.000 0.209 389 A C 2.145 179.739 177.584 0.017 0.000 1.187 389 A CA 0.781 52.850 52.037 0.054 0.000 0.823 389 A CB -0.924 18.105 19.000 0.049 0.000 0.846 389 A HN 0.611 nan 8.150 nan 0.000 0.486 390 G N 0.676 109.480 108.800 0.006 0.000 2.475 390 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 390 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 390 G C 1.585 176.434 174.900 -0.085 0.000 1.125 390 G CA 1.560 46.644 45.100 -0.027 0.000 0.755 390 G HN 0.881 nan 8.290 nan 0.000 0.565 391 S N -0.691 114.929 115.700 -0.133 0.000 2.540 391 S HA 0.272 4.742 4.470 0.000 0.000 0.218 391 S C 1.691 176.089 174.600 -0.337 0.000 0.977 391 S CA -0.106 57.886 58.200 -0.347 0.000 0.918 391 S CB 0.377 63.237 63.200 -0.568 0.000 0.806 391 S HN 0.112 nan 8.310 nan 0.000 0.496 392 L N 2.085 123.270 121.223 -0.064 0.000 2.313 392 L HA 0.318 4.658 4.340 0.000 0.000 0.214 392 L C 2.179 179.070 176.870 0.035 0.000 1.119 392 L CA 1.383 56.262 54.840 0.066 0.000 0.809 392 L CB -0.446 41.667 42.059 0.090 0.000 0.933 392 L HN 0.329 nan 8.230 nan 0.000 0.449 393 K N -1.048 119.342 120.400 -0.018 0.000 2.103 393 K HA -0.147 4.173 4.320 0.000 0.000 0.204 393 K C 2.019 178.606 176.600 -0.022 0.000 1.052 393 K CA 1.162 57.445 56.287 -0.008 0.000 0.945 393 K CB -0.043 32.447 32.500 -0.018 0.000 0.722 393 K HN 0.276 nan 8.250 nan 0.000 0.443 394 L N 0.698 121.857 121.223 -0.107 0.000 1.961 394 L HA -0.083 4.257 4.340 0.000 0.000 0.209 394 L C 1.929 178.777 176.870 -0.037 0.000 1.075 394 L CA 1.666 56.421 54.840 -0.142 0.000 0.749 394 L CB -0.702 41.168 42.059 -0.316 0.000 0.890 394 L HN 0.083 nan 8.230 nan 0.000 0.433 395 F N -0.261 119.697 119.950 0.013 0.000 2.147 395 F HA -0.260 4.267 4.527 0.000 0.000 0.301 395 F C 2.320 178.148 175.800 0.047 0.000 1.084 395 F CA 1.535 59.542 58.000 0.012 0.000 1.268 395 F CB -1.034 37.951 39.000 -0.026 0.000 1.009 395 F HN 0.079 nan 8.300 nan 0.000 0.486 396 L N -1.511 119.848 121.223 0.227 0.000 2.446 396 L HA 0.073 4.413 4.340 0.000 0.000 0.219 396 L C 2.434 179.422 176.870 0.197 0.000 1.116 396 L CA 0.628 55.586 54.840 0.197 0.000 0.844 396 L CB -0.630 41.508 42.059 0.131 0.000 0.970 396 L HN 0.088 nan 8.230 nan 0.000 0.457 397 A N -0.257 122.645 122.820 0.137 0.000 1.898 397 A HA -0.159 4.161 4.320 0.000 0.000 0.214 397 A C 2.185 179.834 177.584 0.109 0.000 1.183 397 A CA 0.950 53.046 52.037 0.099 0.000 0.622 397 A CB -0.240 18.792 19.000 0.054 0.000 0.824 397 A HN 0.396 nan 8.150 nan 0.000 0.444 398 Q N -1.941 117.936 119.800 0.129 0.000 2.167 398 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 398 Q C 1.874 177.973 176.000 0.165 0.000 0.970 398 Q CA 1.604 57.484 55.803 0.128 0.000 0.855 398 Q CB -0.311 28.507 28.738 0.133 0.000 0.911 398 Q HN 0.825 nan 8.270 nan 0.000 0.438 399 Y N 1.219 121.566 120.300 0.079 0.000 2.373 399 Y HA -0.121 4.429 4.550 0.000 0.000 0.293 399 Y C 2.263 178.205 175.900 0.069 0.000 1.129 399 Y CA 1.130 59.272 58.100 0.071 0.000 1.226 399 Y CB 0.071 38.569 38.460 0.064 0.000 1.000 399 Y HN -0.105 nan 8.280 nan 0.000 0.549 400 R N 0.386 120.919 120.500 0.056 0.000 2.062 400 R HA -0.110 4.230 4.340 0.000 0.000 0.229 400 R C 1.556 177.832 176.300 -0.040 0.000 1.128 400 R CA 1.742 57.829 56.100 -0.021 0.000 0.960 400 R CB -0.131 30.198 30.300 0.050 0.000 0.855 400 R HN 0.364 nan 8.270 nan 0.000 0.432 401 E N -0.561 119.647 120.200 0.013 0.000 2.511 401 E HA -0.030 4.320 4.350 0.000 0.000 0.196 401 E C 0.607 177.255 176.600 0.081 0.000 1.066 401 E CA 0.123 56.542 56.400 0.033 0.000 0.871 401 E CB 0.728 30.458 29.700 0.049 0.000 0.863 401 E HN 0.108 nan 8.360 nan 0.000 0.520 402 V N -0.705 119.247 119.914 0.064 0.000 3.382 402 V HA 0.170 4.290 4.120 0.000 0.000 0.296 402 V C 1.580 177.714 176.094 0.066 0.000 1.529 402 V CA 0.652 63.085 62.300 0.221 0.000 1.048 402 V CB 0.753 32.675 31.823 0.164 0.000 0.878 402 V HN 0.270 nan 8.190 nan 0.000 0.442 403 A N 1.086 123.798 122.820 -0.181 0.000 1.903 403 A HA -0.210 4.110 4.320 0.000 0.000 0.219 403 A C 2.124 179.623 177.584 -0.142 0.000 1.191 403 A CA 2.320 54.163 52.037 -0.323 0.000 0.638 403 A CB -0.530 18.264 19.000 -0.343 0.000 0.823 403 A HN 0.744 nan 8.150 nan 0.000 0.451 404 A N -2.340 120.406 122.820 -0.124 0.000 2.255 404 A HA 0.270 4.590 4.320 0.000 0.000 0.206 404 A C 1.412 178.881 177.584 -0.192 0.000 1.193 404 A CA 0.421 52.366 52.037 -0.153 0.000 0.794 404 A CB -0.821 18.062 19.000 -0.195 0.000 0.794 404 A HN 0.496 nan 8.150 nan 0.000 0.481 405 F N -0.955 118.953 119.950 -0.070 0.000 2.789 405 F HA 0.155 4.682 4.527 0.000 0.000 0.300 405 F C 2.269 178.049 175.800 -0.033 0.000 1.132 405 F CA 0.539 58.513 58.000 -0.044 0.000 1.404 405 F CB 0.276 39.252 39.000 -0.039 0.000 1.114 405 F HN 0.298 nan 8.300 nan 0.000 0.584 406 A N -0.593 122.292 122.820 0.108 0.000 2.248 406 A HA 0.004 4.324 4.320 0.000 0.000 0.210 406 A C 0.678 178.293 177.584 0.051 0.000 1.174 406 A CA 0.871 52.951 52.037 0.073 0.000 0.750 406 A CB -0.373 18.654 19.000 0.044 0.000 0.780 406 A HN 0.372 nan 8.150 nan 0.000 0.478 412 L N 2.234 123.462 121.223 0.009 0.000 2.409 412 L HA 0.518 4.858 4.340 0.000 0.000 0.262 412 L C 0.398 177.249 176.870 -0.032 0.000 0.992 412 L CA -1.107 53.727 54.840 -0.009 0.000 0.817 412 L CB 2.014 44.070 42.059 -0.006 0.000 1.350 412 L HN 0.281 nan 8.230 nan 0.000 0.411 413 D N 1.343 121.709 120.400 -0.057 0.000 2.380 413 D HA 0.124 4.764 4.640 0.000 0.000 0.254 413 D C 0.789 177.052 176.300 -0.061 0.000 1.288 413 D CA -0.116 53.849 54.000 -0.058 0.000 1.008 413 D CB 1.499 42.256 40.800 -0.071 0.000 1.099 413 D HN 0.559 nan 8.370 nan 0.000 0.537 414 A N 0.229 123.017 122.820 -0.053 0.000 1.897 414 A HA -0.149 4.171 4.320 0.000 0.000 0.215 414 A C 2.341 179.893 177.584 -0.053 0.000 1.181 414 A CA 2.125 54.134 52.037 -0.047 0.000 0.620 414 A CB -0.907 18.071 19.000 -0.038 0.000 0.821 414 A HN 0.661 nan 8.150 nan 0.000 0.443 415 S N -0.007 115.656 115.700 -0.062 0.000 2.371 415 S HA -0.162 4.308 4.470 0.000 0.000 0.224 415 S C 1.987 176.543 174.600 -0.072 0.000 1.029 415 S CA 1.948 60.113 58.200 -0.059 0.000 0.978 415 S CB -1.316 61.849 63.200 -0.059 0.000 0.833 415 S HN 0.725 nan 8.310 nan 0.000 0.466 416 T N -0.058 114.424 114.554 -0.120 0.000 2.942 416 T HA 0.134 4.484 4.350 0.000 0.000 0.265 416 T C 1.733 176.383 174.700 -0.083 0.000 1.062 416 T CA 1.045 63.052 62.100 -0.154 0.000 1.139 416 T CB -0.382 68.277 68.868 -0.348 0.000 0.883 416 T HN 0.475 nan 8.240 nan 0.000 0.468 417 K N 0.821 121.180 120.400 -0.069 0.000 2.148 417 K HA -0.149 4.171 4.320 0.000 0.000 0.204 417 K C 2.555 179.138 176.600 -0.028 0.000 1.050 417 K CA 1.284 57.550 56.287 -0.035 0.000 0.942 417 K CB -0.142 32.337 32.500 -0.035 0.000 0.724 417 K HN 0.346 nan 8.250 nan 0.000 0.446 418 Q N 0.444 120.220 119.800 -0.040 0.000 2.079 418 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 418 Q C 1.517 177.492 176.000 -0.043 0.000 0.974 418 Q CA 2.447 58.220 55.803 -0.050 0.000 0.840 418 Q CB -0.508 28.200 28.738 -0.051 0.000 0.898 418 Q HN 0.289 nan 8.270 nan 0.000 0.430 419 T N 1.182 115.734 114.554 -0.003 0.000 2.788 419 T HA -0.093 4.257 4.350 0.000 0.000 0.268 419 T C 1.685 176.457 174.700 0.120 0.000 1.044 419 T CA 1.458 63.591 62.100 0.055 0.000 1.139 419 T CB -0.202 68.716 68.868 0.084 0.000 0.867 419 T HN 0.238 nan 8.240 nan 0.000 0.454 420 L N 0.555 121.852 121.223 0.123 0.000 2.072 420 L HA -0.021 4.319 4.340 0.000 0.000 0.205 420 L C 2.719 179.623 176.870 0.057 0.000 1.079 420 L CA 0.636 55.603 54.840 0.213 0.000 0.752 420 L CB -0.863 41.293 42.059 0.162 0.000 0.906 420 L HN 0.119 nan 8.230 nan 0.000 0.436 421 V N 0.090 119.991 119.914 -0.022 0.000 2.252 421 V HA -0.315 3.805 4.120 0.000 0.000 0.249 421 V C 2.803 178.799 176.094 -0.162 0.000 1.056 421 V CA 1.808 64.057 62.300 -0.085 0.000 1.022 421 V CB -0.652 31.113 31.823 -0.096 0.000 0.641 421 V HN 0.428 nan 8.190 nan 0.000 0.445 422 R N 0.196 120.567 120.500 -0.215 0.000 2.061 422 R HA -0.081 4.259 4.340 0.000 0.000 0.230 422 R C 2.530 178.613 176.300 -0.363 0.000 1.140 422 R CA 1.617 57.523 56.100 -0.323 0.000 0.940 422 R CB -1.397 28.622 30.300 -0.469 0.000 0.839 422 R HN 0.573 nan 8.270 nan 0.000 0.429 423 G N 1.239 109.777 108.800 -0.437 0.000 2.485 423 G HA2 -0.270 3.690 3.960 0.000 0.000 0.221 423 G HA3 -0.270 3.690 3.960 0.000 0.000 0.221 423 G C 1.267 175.510 174.900 -1.096 0.000 1.115 423 G CA 0.673 45.198 45.100 -0.958 0.000 0.751 423 G HN 0.410 nan 8.290 nan 0.000 0.567 424 E N -0.184 119.670 120.200 -0.576 0.000 2.112 424 E HA -0.011 4.339 4.350 0.000 0.000 0.190 424 E C 2.730 179.206 176.600 -0.206 0.000 0.979 424 E CA 0.356 56.591 56.400 -0.275 0.000 0.814 424 E CB 0.012 29.663 29.700 -0.083 0.000 0.762 424 E HN 0.381 nan 8.360 nan 0.000 0.460 425 R N 0.118 120.489 120.500 -0.215 0.000 2.210 425 R HA 0.095 4.435 4.340 0.000 0.000 0.203 425 R C 2.276 178.479 176.300 -0.161 0.000 1.010 425 R CA 0.246 56.242 56.100 -0.173 0.000 1.008 425 R CB 0.074 30.259 30.300 -0.191 0.000 0.923 425 R HN 0.129 nan 8.270 nan 0.000 0.469 426 L N 0.014 121.120 121.223 -0.194 0.000 2.109 426 L HA -0.081 4.259 4.340 0.000 0.000 0.207 426 L C 2.082 178.894 176.870 -0.096 0.000 1.086 426 L CA 1.199 55.959 54.840 -0.134 0.000 0.760 426 L CB -0.473 41.503 42.059 -0.137 0.000 0.910 426 L HN 0.141 nan 8.230 nan 0.000 0.437 427 T N -1.090 113.382 114.554 -0.136 0.000 2.684 427 T HA -0.290 4.060 4.350 0.000 0.000 0.267 427 T C 1.833 176.508 174.700 -0.041 0.000 1.036 427 T CA 1.542 63.598 62.100 -0.073 0.000 1.148 427 T CB -0.159 68.665 68.868 -0.073 0.000 0.863 427 T HN 0.173 nan 8.240 nan 0.000 0.436 428 Q N 0.444 120.211 119.800 -0.054 0.000 2.167 428 Q HA 0.097 4.437 4.340 0.000 0.000 0.202 428 Q C 2.055 178.049 176.000 -0.011 0.000 0.970 428 Q CA 1.064 56.848 55.803 -0.031 0.000 0.855 428 Q CB -0.561 28.153 28.738 -0.040 0.000 0.911 428 Q HN 0.500 nan 8.270 nan 0.000 0.438 429 L N -0.578 120.636 121.223 -0.015 0.000 2.083 429 L HA -0.142 4.198 4.340 0.000 0.000 0.209 429 L C 1.729 178.616 176.870 0.028 0.000 1.083 429 L CA 0.902 55.754 54.840 0.020 0.000 0.752 429 L CB -0.206 41.864 42.059 0.018 0.000 0.899 429 L HN 0.308 nan 8.230 nan 0.000 0.433 430 L N -0.864 120.367 121.223 0.014 0.000 2.554 430 L HA -0.030 4.310 4.340 0.000 0.000 0.226 430 L C 0.826 177.703 176.870 0.011 0.000 1.137 430 L CA 0.151 55.002 54.840 0.018 0.000 0.863 430 L CB -0.374 41.697 42.059 0.019 0.000 0.985 430 L HN 0.080 nan 8.230 nan 0.000 0.451 431 K N 1.674 122.076 120.400 0.004 0.000 2.412 431 K HA 0.146 4.466 4.320 0.000 0.000 0.281 431 K C -0.115 176.487 176.600 0.002 0.000 1.027 431 K CA 0.393 56.675 56.287 -0.007 0.000 0.989 431 K CB 0.619 33.111 32.500 -0.014 0.000 0.935 431 K HN 0.048 nan 8.250 nan 0.000 0.475 432 Q N 2.558 122.353 119.800 -0.008 0.000 2.309 432 Q HA 0.191 4.531 4.340 0.000 0.000 0.273 432 Q C -1.343 174.648 176.000 -0.015 0.000 1.040 432 Q CA -0.892 54.910 55.803 -0.001 0.000 0.834 432 Q CB 1.445 30.185 28.738 0.003 0.000 1.345 432 Q HN 0.491 nan 8.270 nan 0.000 0.414 433 N N 2.694 121.393 118.700 -0.000 0.000 2.520 433 N HA 0.047 4.787 4.740 0.000 0.000 0.273 433 N C -0.546 174.952 175.510 -0.020 0.000 1.155 433 N CA 0.011 53.061 53.050 -0.000 0.000 0.967 433 N CB 0.991 39.498 38.487 0.033 0.000 1.092 433 N HN 0.581 nan 8.380 nan 0.000 0.457 434 Q N 0.889 120.644 119.800 -0.075 0.000 2.428 434 Q HA -0.093 4.247 4.340 0.000 0.000 0.276 434 Q C -0.273 175.645 176.000 -0.138 0.000 1.059 434 Q CA 0.221 55.870 55.803 -0.258 0.000 0.923 434 Q CB 0.210 28.645 28.738 -0.504 0.000 1.283 434 Q HN 0.611 nan 8.270 nan 0.000 0.447 435 Y N -0.683 119.616 120.300 -0.003 0.000 4.753 435 Y HA -0.268 4.282 4.550 0.000 0.000 0.232 435 Y C -0.142 175.771 175.900 0.022 0.000 1.029 435 Y CA 0.980 59.063 58.100 -0.029 0.000 1.996 435 Y CB -1.968 36.522 38.460 0.050 0.000 1.602 435 Y HN 0.345 nan 8.280 nan 0.000 0.621 436 S N 1.372 117.137 115.700 0.108 0.000 2.150 436 S HA 0.356 4.826 4.470 0.000 0.000 0.171 436 S C -2.343 172.284 174.600 0.044 0.000 1.620 436 S CA -1.012 57.241 58.200 0.088 0.000 1.190 436 S CB 1.352 64.601 63.200 0.081 0.000 1.102 436 S HN 0.037 nan 8.310 nan 0.000 0.464 437 P HA 0.319 nan 4.420 nan 0.000 0.278 437 P C -0.660 176.652 177.300 0.020 0.000 1.238 437 P CA -0.463 62.653 63.100 0.028 0.000 0.794 437 P CB 0.894 32.614 31.700 0.033 0.000 0.955 438 L N 1.381 122.617 121.223 0.021 0.000 2.331 438 L HA 0.595 4.935 4.340 0.000 0.000 0.275 438 L C 0.836 177.711 176.870 0.007 0.000 1.022 438 L CA -1.166 53.679 54.840 0.010 0.000 0.812 438 L CB 1.648 43.718 42.059 0.018 0.000 1.257 438 L HN 0.409 nan 8.230 nan 0.000 0.435 439 A N 1.301 124.108 122.820 -0.021 0.000 2.386 439 A HA 0.265 4.585 4.320 0.000 0.000 0.248 439 A C 1.135 178.723 177.584 0.008 0.000 1.082 439 A CA -0.179 51.844 52.037 -0.023 0.000 0.789 439 A CB 0.448 19.405 19.000 -0.071 0.000 1.025 439 A HN 0.863 nan 8.150 nan 0.000 0.490 440 T N 1.151 115.728 114.554 0.039 0.000 2.803 440 T HA -0.136 4.214 4.350 0.000 0.000 0.269 440 T C 1.465 176.168 174.700 0.006 0.000 1.052 440 T CA 2.276 64.398 62.100 0.038 0.000 1.136 440 T CB -0.302 68.602 68.868 0.060 0.000 0.864 440 T HN 0.823 nan 8.240 nan 0.000 0.467 441 E N 1.249 121.439 120.200 -0.016 0.000 2.153 441 E HA -0.123 4.227 4.350 0.000 0.000 0.194 441 E C 2.126 178.683 176.600 -0.071 0.000 0.988 441 E CA 1.023 57.393 56.400 -0.049 0.000 0.811 441 E CB -0.122 29.539 29.700 -0.065 0.000 0.746 441 E HN 0.609 nan 8.360 nan 0.000 0.466 442 E N 0.382 120.547 120.200 -0.057 0.000 2.318 442 E HA -0.043 4.307 4.350 0.000 0.000 0.193 442 E C 1.922 178.509 176.600 -0.022 0.000 0.998 442 E CA 0.238 56.599 56.400 -0.066 0.000 0.859 442 E CB 0.146 29.813 29.700 -0.056 0.000 0.812 442 E HN 0.305 nan 8.360 nan 0.000 0.492 443 Q N 0.508 120.311 119.800 0.005 0.000 2.089 443 Q HA -0.087 4.253 4.340 0.000 0.000 0.195 443 Q C 2.610 178.647 176.000 0.062 0.000 0.963 443 Q CA 1.482 57.309 55.803 0.040 0.000 0.834 443 Q CB 0.030 28.794 28.738 0.042 0.000 0.906 443 Q HN 0.257 nan 8.270 nan 0.000 0.452 444 V N -1.113 118.828 119.914 0.044 0.000 2.407 444 V HA -0.109 4.011 4.120 0.000 0.000 0.248 444 V C -0.969 175.190 176.094 0.109 0.000 1.055 444 V CA 1.149 63.490 62.300 0.069 0.000 1.049 444 V CB -2.060 29.784 31.823 0.035 0.000 0.662 444 V HN 0.175 nan 8.190 nan 0.000 0.455 445 P HA 0.037 nan 4.420 nan 0.000 0.222 445 P C 1.983 179.488 177.300 0.341 0.000 1.153 445 P CA 1.105 64.273 63.100 0.114 0.000 0.798 445 P CB -0.066 31.544 31.700 -0.151 0.000 0.796 446 L N -1.289 120.094 121.223 0.267 0.000 2.044 446 L HA -0.098 4.242 4.340 0.000 0.000 0.205 446 L C 2.349 179.377 176.870 0.264 0.000 1.075 446 L CA 1.387 56.427 54.840 0.333 0.000 0.747 446 L CB -0.752 41.447 42.059 0.234 0.000 0.903 446 L HN -0.114 nan 8.230 nan 0.000 0.435 447 I N -1.586 119.106 120.570 0.204 0.000 2.546 447 I HA -0.285 3.885 4.170 0.000 0.000 0.255 447 I C 2.436 178.668 176.117 0.191 0.000 1.163 447 I CA 0.905 62.303 61.300 0.163 0.000 1.457 447 I CB -0.168 37.910 38.000 0.130 0.000 1.092 447 I HN 0.175 nan 8.210 nan 0.000 0.434 448 Y N 1.680 122.056 120.300 0.126 0.000 2.114 448 Y HA -0.301 4.249 4.550 0.000 0.000 0.284 448 Y C 2.544 178.538 175.900 0.156 0.000 1.143 448 Y CA 1.599 59.778 58.100 0.130 0.000 1.135 448 Y CB -0.374 38.154 38.460 0.113 0.000 0.980 448 Y HN 0.121 nan 8.280 nan 0.000 0.499 449 A N 0.019 123.005 122.820 0.276 0.000 1.940 449 A HA -0.146 4.174 4.320 0.000 0.000 0.219 449 A C 2.423 180.030 177.584 0.038 0.000 1.176 449 A CA 1.866 54.013 52.037 0.184 0.000 0.631 449 A CB -1.674 17.469 19.000 0.239 0.000 0.814 449 A HN 0.624 nan 8.150 nan 0.000 0.446 450 G N -0.980 107.822 108.800 0.004 0.000 2.394 450 G HA2 -0.025 3.935 3.960 0.000 0.000 0.214 450 G HA3 -0.025 3.935 3.960 0.000 0.000 0.214 450 G C 1.470 176.289 174.900 -0.135 0.000 1.176 450 G CA 1.019 46.068 45.100 -0.086 0.000 0.786 450 G HN 0.296 nan 8.290 nan 0.000 0.533 451 V N 1.531 121.413 119.914 -0.054 0.000 2.515 451 V HA -0.140 3.980 4.120 0.000 0.000 0.250 451 V C 2.277 178.329 176.094 -0.070 0.000 1.058 451 V CA 1.616 63.934 62.300 0.029 0.000 1.064 451 V CB -0.313 31.607 31.823 0.161 0.000 0.675 451 V HN 0.415 nan 8.190 nan 0.000 0.461 452 N N -0.475 118.117 118.700 -0.181 0.000 2.392 452 N HA 0.085 4.825 4.740 0.000 0.000 0.177 452 N C 1.473 176.809 175.510 -0.290 0.000 1.066 452 N CA 1.027 53.950 53.050 -0.212 0.000 0.895 452 N CB 1.127 39.447 38.487 -0.280 0.000 0.988 452 N HN 0.556 nan 8.380 nan 0.000 0.457 453 G N 0.817 109.451 108.800 -0.276 0.000 2.154 453 G HA2 -0.194 3.766 3.960 0.000 0.000 0.186 453 G HA3 -0.194 3.766 3.960 0.000 0.000 0.186 453 G C 0.200 174.905 174.900 -0.324 0.000 1.000 453 G CA -0.185 44.724 45.100 -0.319 0.000 0.664 453 G HN 0.427 nan 8.290 nan 0.000 0.513 454 H N -0.142 118.828 119.070 -0.167 0.000 2.559 454 H HA 0.337 4.893 4.556 0.000 0.000 0.273 454 H C 2.506 177.697 175.328 -0.228 0.000 1.000 454 H CA 1.102 57.067 56.048 -0.139 0.000 1.195 454 H CB 0.139 29.864 29.762 -0.062 0.000 1.368 454 H HN 0.452 nan 8.280 nan 0.000 0.592 455 L N -0.225 120.871 121.223 -0.210 0.000 2.416 455 L HA -0.034 4.306 4.340 0.000 0.000 0.216 455 L C 1.194 177.911 176.870 -0.256 0.000 1.098 455 L CA 0.313 54.944 54.840 -0.349 0.000 0.840 455 L CB 0.115 41.943 42.059 -0.385 0.000 0.981 455 L HN 0.184 nan 8.230 nan 0.000 0.462 456 D N 0.598 120.869 120.400 -0.215 0.000 2.265 456 D HA -0.151 4.489 4.640 0.000 0.000 0.208 456 D C 2.108 178.322 176.300 -0.143 0.000 0.977 456 D CA 1.286 55.178 54.000 -0.180 0.000 0.871 456 D CB -0.252 40.438 40.800 -0.183 0.000 0.925 456 D HN 0.308 nan 8.370 nan 0.000 0.485 457 G N 0.136 108.854 108.800 -0.137 0.000 2.403 457 G HA2 -0.051 3.909 3.960 0.000 0.000 0.216 457 G HA3 -0.051 3.909 3.960 0.000 0.000 0.216 457 G C 0.792 175.633 174.900 -0.098 0.000 1.154 457 G CA -0.011 45.027 45.100 -0.103 0.000 0.784 457 G HN 0.232 nan 8.290 nan 0.000 0.538 458 I N 1.641 122.136 120.570 -0.125 0.000 2.440 458 I HA 0.191 4.361 4.170 0.000 0.000 0.294 458 I C 0.439 176.496 176.117 -0.100 0.000 0.995 458 I CA -0.747 60.489 61.300 -0.106 0.000 1.306 458 I CB 1.404 39.332 38.000 -0.120 0.000 1.407 458 I HN 0.340 nan 8.210 nan 0.000 0.501 459 E N 5.102 125.263 120.200 -0.065 0.000 2.392 459 E HA -0.009 4.341 4.350 0.000 0.000 0.259 459 E C 0.686 177.255 176.600 -0.052 0.000 1.108 459 E CA -0.626 55.742 56.400 -0.053 0.000 0.916 459 E CB 1.124 30.804 29.700 -0.034 0.000 0.989 459 E HN 0.446 nan 8.360 nan 0.000 0.432 460 L N 2.588 123.784 121.223 -0.046 0.000 2.187 460 L HA -0.224 4.116 4.340 0.000 0.000 0.213 460 L C 2.242 179.097 176.870 -0.024 0.000 1.100 460 L CA 2.519 57.333 54.840 -0.042 0.000 0.765 460 L CB -0.779 41.261 42.059 -0.031 0.000 0.904 460 L HN 0.757 nan 8.230 nan 0.000 0.437 461 S N -1.686 114.007 115.700 -0.012 0.000 2.406 461 S HA -0.078 4.392 4.470 0.000 0.000 0.224 461 S C 2.046 176.656 174.600 0.016 0.000 1.030 461 S CA 0.224 58.425 58.200 0.002 0.000 0.958 461 S CB -0.476 62.727 63.200 0.004 0.000 0.811 461 S HN 0.452 nan 8.310 nan 0.000 0.489 462 R N 0.484 120.995 120.500 0.018 0.000 2.313 462 R HA 0.263 4.603 4.340 0.000 0.000 0.199 462 R C 1.120 177.474 176.300 0.091 0.000 0.958 462 R CA 0.010 56.140 56.100 0.050 0.000 1.047 462 R CB -0.227 30.100 30.300 0.045 0.000 0.955 462 R HN 0.405 nan 8.270 nan 0.000 0.481 463 I N -0.354 120.247 120.570 0.053 0.000 2.361 463 I HA -0.135 4.035 4.170 0.000 0.000 0.251 463 I C 2.266 178.475 176.117 0.154 0.000 1.133 463 I CA 1.255 62.598 61.300 0.071 0.000 1.413 463 I CB -1.356 36.634 38.000 -0.018 0.000 1.073 463 I HN 0.223 nan 8.210 nan 0.000 0.424 464 G N 1.647 110.510 108.800 0.105 0.000 2.418 464 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 464 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 464 G C 1.452 176.428 174.900 0.126 0.000 1.158 464 G CA 0.839 46.000 45.100 0.101 0.000 0.771 464 G HN 0.644 nan 8.290 nan 0.000 0.545 465 E N -0.780 119.499 120.200 0.132 0.000 2.435 465 E HA 0.071 4.421 4.350 0.000 0.000 0.195 465 E C 1.902 178.616 176.600 0.190 0.000 1.029 465 E CA -0.095 56.384 56.400 0.131 0.000 0.865 465 E CB -0.326 29.434 29.700 0.100 0.000 0.833 465 E HN 0.405 nan 8.360 nan 0.000 0.510 466 F N 2.184 122.194 119.950 0.100 0.000 2.163 466 F HA -0.057 4.470 4.527 0.000 0.000 0.297 466 F C 2.230 178.133 175.800 0.173 0.000 1.094 466 F CA 1.809 59.901 58.000 0.153 0.000 1.290 466 F CB 0.048 39.103 39.000 0.092 0.000 1.017 466 F HN 0.037 nan 8.300 nan 0.000 0.483 467 E N -0.037 120.317 120.200 0.256 0.000 2.051 467 E HA -0.198 4.152 4.350 0.000 0.000 0.192 467 E C 2.173 178.798 176.600 0.042 0.000 0.991 467 E CA 1.699 58.193 56.400 0.157 0.000 0.799 467 E CB -0.194 29.612 29.700 0.176 0.000 0.748 467 E HN 0.454 nan 8.360 nan 0.000 0.449 468 S N 0.463 116.198 115.700 0.057 0.000 2.365 468 S HA -0.162 4.308 4.470 0.000 0.000 0.225 468 S C 2.203 176.815 174.600 0.019 0.000 1.039 468 S CA 1.503 59.725 58.200 0.038 0.000 1.033 468 S CB -0.279 62.954 63.200 0.056 0.000 0.887 468 S HN 0.204 nan 8.310 nan 0.000 0.447 469 S N 0.866 116.591 115.700 0.041 0.000 2.395 469 S HA 0.105 4.575 4.470 0.000 0.000 0.225 469 S C 1.478 176.012 174.600 -0.109 0.000 1.027 469 S CA 0.448 58.711 58.200 0.104 0.000 0.965 469 S CB -0.358 63.041 63.200 0.332 0.000 0.812 469 S HN 0.443 nan 8.310 nan 0.000 0.482 470 F N 2.726 122.253 119.950 -0.705 0.000 2.113 470 F HA 0.044 4.571 4.527 0.000 0.000 0.297 470 F C 1.804 177.346 175.800 -0.431 0.000 1.103 470 F CA 0.862 58.205 58.000 -1.096 0.000 1.248 470 F CB -0.819 37.510 39.000 -1.118 0.000 0.999 470 F HN 0.099 nan 8.300 nan 0.000 0.475 471 L N -0.273 120.803 121.223 -0.245 0.000 2.083 471 L HA -0.213 4.127 4.340 0.000 0.000 0.209 471 L C 2.593 179.361 176.870 -0.171 0.000 1.083 471 L CA 1.608 56.303 54.840 -0.241 0.000 0.752 471 L CB -1.014 40.964 42.059 -0.135 0.000 0.899 471 L HN 0.266 nan 8.230 nan 0.000 0.433 472 S N -1.081 114.566 115.700 -0.088 0.000 2.414 472 S HA -0.220 4.250 4.470 0.000 0.000 0.227 472 S C 2.010 176.601 174.600 -0.015 0.000 1.022 472 S CA 0.522 58.697 58.200 -0.042 0.000 0.958 472 S CB -0.685 62.517 63.200 0.004 0.000 0.797 472 S HN 0.512 nan 8.310 nan 0.000 0.493 473 Y N 2.317 122.545 120.300 -0.120 0.000 2.242 473 Y HA 0.118 4.668 4.550 0.000 0.000 0.291 473 Y C 1.832 177.689 175.900 -0.071 0.000 1.137 473 Y CA 1.211 59.279 58.100 -0.054 0.000 1.181 473 Y CB -0.409 38.037 38.460 -0.024 0.000 0.989 473 Y HN 0.210 nan 8.280 nan 0.000 0.527 474 L N 0.225 121.221 121.223 -0.379 0.000 2.109 474 L HA -0.151 4.189 4.340 0.000 0.000 0.207 474 L C 2.377 179.077 176.870 -0.283 0.000 1.086 474 L CA 1.453 56.035 54.840 -0.430 0.000 0.760 474 L CB -0.437 41.310 42.059 -0.520 0.000 0.910 474 L HN 0.082 nan 8.230 nan 0.000 0.437 475 K N -0.609 119.657 120.400 -0.223 0.000 2.211 475 K HA -0.077 4.243 4.320 0.000 0.000 0.203 475 K C 2.210 178.718 176.600 -0.154 0.000 1.050 475 K CA 1.179 57.369 56.287 -0.162 0.000 0.945 475 K CB 0.009 32.434 32.500 -0.125 0.000 0.732 475 K HN 0.172 nan 8.250 nan 0.000 0.451 476 S N 0.710 116.305 115.700 -0.174 0.000 2.388 476 S HA 0.022 4.492 4.470 0.000 0.000 0.223 476 S C 1.372 175.846 174.600 -0.210 0.000 1.034 476 S CA 0.807 58.916 58.200 -0.150 0.000 0.963 476 S CB 0.030 63.173 63.200 -0.094 0.000 0.827 476 S HN 0.350 nan 8.310 nan 0.000 0.481 477 N N -0.348 118.142 118.700 -0.349 0.000 2.445 477 N HA 0.086 4.826 4.740 0.000 0.000 0.204 477 N C 0.054 175.213 175.510 -0.584 0.000 1.098 477 N CA 0.414 53.180 53.050 -0.474 0.000 0.859 477 N CB 0.240 38.354 38.487 -0.622 0.000 1.249 477 N HN 0.364 nan 8.380 nan 0.000 0.462 478 H N 0.313 119.196 119.070 -0.311 0.000 2.475 478 H HA 0.222 4.778 4.556 0.000 0.000 0.276 478 H C 0.614 175.820 175.328 -0.203 0.000 1.126 478 H CA -0.198 55.704 56.048 -0.244 0.000 1.023 478 H CB 0.332 29.923 29.762 -0.286 0.000 1.669 478 H HN 0.187 nan 8.280 nan 0.000 0.573 479 N N 1.338 119.970 118.700 -0.114 0.000 2.272 479 N HA -0.150 4.590 4.740 0.000 0.000 0.185 479 N C 1.559 177.022 175.510 -0.079 0.000 1.014 479 N CA 1.113 54.101 53.050 -0.103 0.000 0.870 479 N CB 0.312 38.736 38.487 -0.104 0.000 0.975 479 N HN 0.453 nan 8.380 nan 0.000 0.433 480 E N -0.341 119.820 120.200 -0.065 0.000 2.274 480 E HA -0.108 4.242 4.350 0.000 0.000 0.194 480 E C 1.696 178.269 176.600 -0.046 0.000 0.996 480 E CA 0.601 56.971 56.400 -0.051 0.000 0.840 480 E CB 0.021 29.696 29.700 -0.043 0.000 0.772 480 E HN 0.517 nan 8.360 nan 0.000 0.491 481 L N 0.408 121.604 121.223 -0.044 0.000 2.068 481 L HA -0.085 4.255 4.340 0.000 0.000 0.204 481 L C 2.409 179.229 176.870 -0.082 0.000 1.076 481 L CA 0.783 55.586 54.840 -0.062 0.000 0.753 481 L CB -0.541 41.472 42.059 -0.076 0.000 0.910 481 L HN 0.117 nan 8.230 nan 0.000 0.439 482 L N -0.424 120.740 121.223 -0.097 0.000 2.456 482 L HA -0.114 4.226 4.340 0.000 0.000 0.224 482 L C 2.357 179.180 176.870 -0.079 0.000 1.148 482 L CA 0.798 55.576 54.840 -0.103 0.000 0.825 482 L CB -0.877 41.106 42.059 -0.127 0.000 0.937 482 L HN 0.304 nan 8.230 nan 0.000 0.450 483 T N -1.222 113.291 114.554 -0.068 0.000 2.901 483 T HA -0.132 4.218 4.350 0.000 0.000 0.252 483 T C 1.797 176.470 174.700 -0.043 0.000 1.035 483 T CA 0.717 62.784 62.100 -0.055 0.000 1.142 483 T CB 0.112 68.948 68.868 -0.052 0.000 0.869 483 T HN 0.307 nan 8.240 nan 0.000 0.442 484 E N 0.664 120.838 120.200 -0.043 0.000 2.110 484 E HA -0.108 4.242 4.350 0.000 0.000 0.193 484 E C 2.050 178.630 176.600 -0.032 0.000 0.988 484 E CA 0.904 57.283 56.400 -0.035 0.000 0.804 484 E CB -0.180 29.499 29.700 -0.035 0.000 0.745 484 E HN 0.475 nan 8.360 nan 0.000 0.458 485 I N 0.407 120.952 120.570 -0.042 0.000 2.179 485 I HA -0.282 3.888 4.170 0.000 0.000 0.242 485 I C 2.855 178.960 176.117 -0.020 0.000 1.088 485 I CA 1.145 62.423 61.300 -0.036 0.000 1.357 485 I CB -0.312 37.658 38.000 -0.050 0.000 1.051 485 I HN 0.075 nan 8.210 nan 0.000 0.409 486 R N 1.115 121.601 120.500 -0.023 0.000 2.073 486 R HA -0.188 4.152 4.340 0.000 0.000 0.234 486 R C 2.106 178.410 176.300 0.006 0.000 1.134 486 R CA 1.797 57.893 56.100 -0.006 0.000 0.952 486 R CB -0.099 30.186 30.300 -0.025 0.000 0.850 486 R HN 0.393 nan 8.270 nan 0.000 0.433 487 E N -0.524 119.672 120.200 -0.007 0.000 2.216 487 E HA -0.104 4.246 4.350 0.000 0.000 0.192 487 E C 1.731 178.330 176.600 -0.000 0.000 0.988 487 E CA 0.844 57.243 56.400 -0.002 0.000 0.834 487 E CB 0.305 29.998 29.700 -0.011 0.000 0.772 487 E HN 0.311 nan 8.360 nan 0.000 0.479 488 K N -1.009 119.388 120.400 -0.005 0.000 2.313 488 K HA 0.097 4.417 4.320 0.000 0.000 0.197 488 K C 1.154 177.752 176.600 -0.002 0.000 1.061 488 K CA 0.584 56.868 56.287 -0.004 0.000 0.980 488 K CB 0.884 33.379 32.500 -0.009 0.000 0.888 488 K HN 0.169 nan 8.250 nan 0.000 0.502 489 G N 2.219 111.018 108.800 -0.002 0.000 2.153 489 G HA2 -0.271 3.689 3.960 0.000 0.000 0.252 489 G HA3 -0.271 3.689 3.960 0.000 0.000 0.252 489 G C -0.206 174.693 174.900 -0.002 0.000 0.994 489 G CA 0.661 45.761 45.100 0.000 0.000 0.698 489 G HN 0.355 nan 8.290 nan 0.000 0.521 490 E N -1.438 118.759 120.200 -0.004 0.000 2.429 490 E HA 0.634 4.984 4.350 0.000 0.000 0.276 490 E C -0.615 175.980 176.600 -0.008 0.000 0.953 490 E CA -1.036 55.362 56.400 -0.002 0.000 0.787 490 E CB 1.562 31.262 29.700 -0.001 0.000 1.307 490 E HN 0.111 nan 8.360 nan 0.000 0.458 491 L N 2.374 123.594 121.223 -0.005 0.000 2.384 491 L HA 0.255 4.595 4.340 0.000 0.000 0.261 491 L C 0.172 177.037 176.870 -0.009 0.000 1.024 491 L CA -0.645 54.186 54.840 -0.015 0.000 0.899 491 L CB 1.138 43.187 42.059 -0.017 0.000 1.243 491 L HN 0.496 nan 8.230 nan 0.000 0.449 492 S N 1.001 116.694 115.700 -0.012 0.000 2.569 492 S HA 0.042 4.512 4.470 0.000 0.000 0.274 492 S C 1.038 175.634 174.600 -0.006 0.000 1.353 492 S CA -0.337 57.859 58.200 -0.006 0.000 1.023 492 S CB 1.189 64.384 63.200 -0.009 0.000 0.876 492 S HN 0.602 nan 8.310 nan 0.000 0.540 493 K N 0.914 121.316 120.400 0.003 0.000 2.209 493 K HA -0.122 4.198 4.320 0.000 0.000 0.204 493 K C 1.888 178.489 176.600 0.001 0.000 1.048 493 K CA 1.647 57.939 56.287 0.009 0.000 0.940 493 K CB -0.170 32.340 32.500 0.017 0.000 0.729 493 K HN 0.684 nan 8.250 nan 0.000 0.451 494 E N 0.464 120.661 120.200 -0.004 0.000 2.204 494 E HA -0.100 4.250 4.350 0.000 0.000 0.194 494 E C 1.628 178.215 176.600 -0.023 0.000 0.989 494 E CA 0.621 57.017 56.400 -0.008 0.000 0.824 494 E CB 0.104 29.800 29.700 -0.006 0.000 0.756 494 E HN 0.206 nan 8.360 nan 0.000 0.477 495 L N -0.237 120.965 121.223 -0.036 0.000 2.102 495 L HA -0.047 4.293 4.340 0.000 0.000 0.202 495 L C 1.955 178.761 176.870 -0.107 0.000 1.076 495 L CA 0.555 55.356 54.840 -0.065 0.000 0.761 495 L CB -0.064 41.957 42.059 -0.064 0.000 0.921 495 L HN 0.177 nan 8.230 nan 0.000 0.444 496 L N -0.428 120.740 121.223 -0.092 0.000 2.129 496 L HA -0.250 4.090 4.340 0.000 0.000 0.212 496 L C 2.720 179.529 176.870 -0.102 0.000 1.087 496 L CA 1.273 56.036 54.840 -0.129 0.000 0.757 496 L CB -0.640 41.412 42.059 -0.013 0.000 0.896 496 L HN 0.285 nan 8.230 nan 0.000 0.434 497 A N -1.261 121.536 122.820 -0.038 0.000 1.898 497 A HA -0.181 4.139 4.320 0.000 0.000 0.216 497 A C 2.509 180.075 177.584 -0.030 0.000 1.181 497 A CA 1.954 53.988 52.037 -0.006 0.000 0.620 497 A CB -0.605 18.402 19.000 0.011 0.000 0.819 497 A HN 0.331 nan 8.150 nan 0.000 0.442 498 S N -0.691 114.975 115.700 -0.057 0.000 2.382 498 S HA -0.108 4.362 4.470 0.000 0.000 0.228 498 S C 1.817 176.336 174.600 -0.134 0.000 1.027 498 S CA 1.370 59.531 58.200 -0.065 0.000 0.991 498 S CB -0.321 62.844 63.200 -0.057 0.000 0.823 498 S HN 0.422 nan 8.310 nan 0.000 0.469 499 L N 1.907 122.997 121.223 -0.222 0.000 2.093 499 L HA 0.066 4.406 4.340 0.000 0.000 0.208 499 L C 2.146 178.861 176.870 -0.259 0.000 1.085 499 L CA 1.713 56.343 54.840 -0.349 0.000 0.755 499 L CB -0.478 41.194 42.059 -0.645 0.000 0.904 499 L HN 0.133 nan 8.230 nan 0.000 0.435 500 K N -1.362 118.951 120.400 -0.145 0.000 2.057 500 K HA -0.173 4.147 4.320 0.000 0.000 0.206 500 K C 2.352 178.983 176.600 0.053 0.000 1.050 500 K CA 1.401 57.751 56.287 0.105 0.000 0.935 500 K CB -0.169 32.451 32.500 0.200 0.000 0.715 500 K HN 0.392 nan 8.250 nan 0.000 0.439 501 S N 0.166 115.882 115.700 0.027 0.000 2.368 501 S HA -0.143 4.327 4.470 0.000 0.000 0.225 501 S C 2.012 176.648 174.600 0.061 0.000 1.030 501 S CA 1.366 59.598 58.200 0.052 0.000 0.999 501 S CB -0.249 62.981 63.200 0.050 0.000 0.844 501 S HN 0.424 nan 8.310 nan 0.000 0.459 502 A N 0.406 123.206 122.820 -0.034 0.000 1.968 502 A HA 0.048 4.368 4.320 0.000 0.000 0.217 502 A C 2.347 180.082 177.584 0.251 0.000 1.169 502 A CA 1.886 53.883 52.037 -0.067 0.000 0.638 502 A CB -1.266 17.430 19.000 -0.508 0.000 0.812 502 A HN 0.626 nan 8.150 nan 0.000 0.446 503 T N 0.085 114.740 114.554 0.169 0.000 2.732 503 T HA -0.093 4.257 4.350 0.000 0.000 0.261 503 T C 1.747 176.463 174.700 0.027 0.000 1.040 503 T CA 1.557 63.709 62.100 0.088 0.000 1.145 503 T CB -0.266 68.531 68.868 -0.118 0.000 0.866 503 T HN 0.638 nan 8.240 nan 0.000 0.427 504 E N 1.222 121.435 120.200 0.021 0.000 2.118 504 E HA -0.121 4.229 4.350 0.000 0.000 0.195 504 E C 2.430 179.089 176.600 0.099 0.000 0.992 504 E CA 1.192 57.650 56.400 0.097 0.000 0.804 504 E CB -0.213 29.560 29.700 0.123 0.000 0.741 504 E HN 0.308 nan 8.360 nan 0.000 0.458 505 S N -0.256 115.531 115.700 0.144 0.000 2.370 505 S HA -0.186 4.284 4.470 0.000 0.000 0.226 505 S C 1.659 176.321 174.600 0.104 0.000 1.033 505 S CA 1.091 59.397 58.200 0.176 0.000 1.011 505 S CB -0.220 63.174 63.200 0.322 0.000 0.852 505 S HN 0.347 nan 8.310 nan 0.000 0.457 506 F N 1.360 121.241 119.950 -0.115 0.000 2.335 506 F HA 0.163 4.690 4.527 0.000 0.000 0.296 506 F C 2.027 177.688 175.800 -0.231 0.000 1.091 506 F CA 0.711 58.476 58.000 -0.393 0.000 1.399 506 F CB -0.335 38.316 39.000 -0.582 0.000 1.067 506 F HN 0.028 nan 8.300 nan 0.000 0.520 507 V N 0.486 120.354 119.914 -0.077 0.000 2.594 507 V HA -0.274 3.846 4.120 0.000 0.000 0.253 507 V C 2.694 178.714 176.094 -0.122 0.000 1.069 507 V CA 1.471 63.731 62.300 -0.067 0.000 1.082 507 V CB -1.345 30.515 31.823 0.063 0.000 0.680 507 V HN 0.454 nan 8.190 nan 0.000 0.469 508 A N -0.385 122.375 122.820 -0.101 0.000 1.917 508 A HA -0.170 4.150 4.320 0.000 0.000 0.219 508 A C 1.627 179.118 177.584 -0.155 0.000 1.182 508 A CA 2.229 54.211 52.037 -0.092 0.000 0.633 508 A CB -0.583 18.388 19.000 -0.049 0.000 0.819 508 A HN 0.552 nan 8.150 nan 0.000 0.448 509 T N 0.000 114.389 114.554 -0.275 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.902 62.100 -0.330 0.000 1.349 509 T CB 0.000 68.653 68.868 -0.359 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658