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 1now_1_A DATA FIRST_RESID 55 DATA SEQUENCE ALWPLPLSVK MTPNLLHLAP ENFYISHSPN STAGPScTLL EEAFRRYHGY DATA SEQUENCE IFGXXXXXXX XXXXXXXTQV QQLLVSITLQ SEcDAFPNIS SDESYTLLVK DATA SEQUENCE EPVAVLKANR VWGALRGLET FSQLVYQDSY GTFTINESTI IDSPRFSHRG DATA SEQUENCE ILIDTSRHYL PVKIILKTLD AMAFNKFNVL HWHIVDDQSF PYQSITFPEL DATA SEQUENCE SNKGSYSLSH VYTPNDVRMV IEYARLRGIR VLPEFDTPGH TLSWGKGQKD DATA SEQUENCE LLTPcYSXXX XLDSFGPINP TLNTTYSFLT TFFKEISEVF PDQFIHLGGD DATA SEQUENCE EVEFKcWESN PKIQDFMRQK GFGTDFKKLE SFYIQKVLDI IATINKGSIV DATA SEQUENCE WQEVFDDKAK LAPGTIVEVW KDSAYPEELS RVTASGFPVI LSAPWYLDLI DATA SEQUENCE SYGQDWRKYY KVEPLDFGGT QKQKQLFIGG EACLWGEYVD ATNLTPRLWP DATA SEQUENCE RASAVGERLW SSKDVRDMDD AYDRLTRHRc RMVERGIAAQ PLYAGYcN 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 55 A HA 0.000 nan 4.320 nan 0.000 0.244 55 A C 0.000 177.586 177.584 0.004 0.000 1.274 55 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 55 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 56 L N 0.909 122.137 121.223 0.008 0.000 2.292 56 L HA 0.617 4.956 4.340 -0.000 0.000 0.284 56 L C -0.223 176.652 176.870 0.007 0.000 1.065 56 L CA -0.369 54.464 54.840 -0.011 0.000 0.806 56 L CB 1.162 43.201 42.059 -0.033 0.000 1.175 56 L HN 0.604 nan 8.230 nan 0.000 0.431 57 W N 5.810 126.933 121.300 -0.295 0.000 3.216 57 W HA 0.327 4.987 4.660 -0.001 0.000 0.335 57 W C -2.883 173.362 176.519 -0.456 0.000 1.077 57 W CA -1.710 55.375 57.345 -0.433 0.000 1.252 57 W CB 2.299 31.263 29.460 -0.826 0.000 1.312 57 W HN 0.233 nan 8.180 nan 0.000 0.446 58 P HA 0.012 nan 4.420 nan 0.000 0.270 58 P C -0.244 176.781 177.300 -0.458 0.000 1.223 58 P CA -0.226 62.411 63.100 -0.770 0.000 0.785 58 P CB 0.761 32.157 31.700 -0.507 0.000 0.923 59 L N 5.034 126.022 121.223 -0.392 0.000 2.477 59 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 59 L C -2.214 174.641 176.870 -0.026 0.000 1.157 59 L CA -1.471 53.270 54.840 -0.165 0.000 0.889 59 L CB -0.477 41.509 42.059 -0.123 0.000 1.158 59 L HN 0.290 nan 8.230 nan 0.000 0.473 60 P HA -0.035 nan 4.420 nan 0.000 0.269 60 P C 0.558 177.911 177.300 0.089 0.000 1.215 60 P CA -0.333 62.837 63.100 0.117 0.000 0.780 60 P CB 0.553 32.300 31.700 0.079 0.000 0.898 61 L N 2.052 123.333 121.223 0.096 0.000 1.997 61 L HA -0.140 4.199 4.340 -0.000 0.000 0.216 61 L C 0.676 177.542 176.870 -0.007 0.000 1.074 61 L CA 2.212 57.058 54.840 0.010 0.000 0.763 61 L CB -0.635 41.397 42.059 -0.045 0.000 0.890 61 L HN 0.372 nan 8.230 nan 0.000 0.434 62 S N -1.137 114.557 115.700 -0.010 0.000 2.672 62 S HA 0.644 5.114 4.470 -0.000 0.000 0.291 62 S C -1.217 173.385 174.600 0.003 0.000 1.145 62 S CA -0.721 57.473 58.200 -0.010 0.000 1.013 62 S CB 1.143 64.330 63.200 -0.021 0.000 1.017 62 S HN 0.007 nan 8.310 nan 0.000 0.487 63 V N 5.645 125.565 119.914 0.010 0.000 2.531 63 V HA 0.586 4.706 4.120 -0.000 0.000 0.301 63 V C -0.652 175.452 176.094 0.017 0.000 1.034 63 V CA -0.681 61.630 62.300 0.019 0.000 0.865 63 V CB 1.828 33.662 31.823 0.019 0.000 0.995 63 V HN 0.850 nan 8.190 nan 0.000 0.424 64 K N 5.761 126.175 120.400 0.022 0.000 2.507 64 K HA 0.746 5.066 4.320 -0.000 0.000 0.252 64 K C -1.083 175.533 176.600 0.026 0.000 0.943 64 K CA -0.517 55.782 56.287 0.020 0.000 0.808 64 K CB 2.170 34.680 32.500 0.017 0.000 1.142 64 K HN 0.556 nan 8.250 nan 0.000 0.426 65 M N 1.389 121.003 119.600 0.024 0.000 2.662 65 M HA 0.396 4.876 4.480 -0.000 0.000 0.310 65 M C 0.148 176.463 176.300 0.025 0.000 1.204 65 M CA -0.908 54.409 55.300 0.028 0.000 0.891 65 M CB 2.166 34.782 32.600 0.026 0.000 1.732 65 M HN 0.710 nan 8.290 nan 0.000 0.467 66 T N -2.533 112.038 114.554 0.028 0.000 2.949 66 T HA 0.589 4.938 4.350 -0.000 0.000 0.287 66 T C -2.418 172.298 174.700 0.027 0.000 1.034 66 T CA -1.638 60.476 62.100 0.024 0.000 1.018 66 T CB 1.675 70.556 68.868 0.022 0.000 1.135 66 T HN 0.382 nan 8.240 nan 0.000 0.532 67 P HA 0.165 nan 4.420 nan 0.000 0.245 67 P C -0.070 177.246 177.300 0.027 0.000 1.212 67 P CA 0.016 63.133 63.100 0.027 0.000 0.774 67 P CB -0.267 31.446 31.700 0.021 0.000 0.999 68 N N 0.423 119.135 118.700 0.019 0.000 2.431 68 N HA 0.124 4.864 4.740 -0.000 0.000 0.265 68 N C -0.466 175.048 175.510 0.006 0.000 1.184 68 N CA 0.119 53.173 53.050 0.007 0.000 0.943 68 N CB -0.063 38.425 38.487 0.002 0.000 1.080 68 N HN -0.025 nan 8.380 nan 0.000 0.477 69 L N 3.968 125.185 121.223 -0.010 0.000 2.312 69 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 69 L C -0.293 176.508 176.870 -0.117 0.000 1.070 69 L CA -0.665 54.164 54.840 -0.020 0.000 0.805 69 L CB 0.749 42.817 42.059 0.015 0.000 1.174 69 L HN 0.320 nan 8.230 nan 0.000 0.434 70 L N 2.280 123.449 121.223 -0.090 0.000 2.354 70 L HA 0.544 4.884 4.340 -0.000 0.000 0.269 70 L C -0.641 176.215 176.870 -0.024 0.000 1.005 70 L CA -1.002 53.766 54.840 -0.120 0.000 0.819 70 L CB 1.852 43.897 42.059 -0.023 0.000 1.311 70 L HN 0.475 nan 8.230 nan 0.000 0.423 71 H N 1.928 120.991 119.070 -0.012 0.000 2.525 71 H HA 0.741 5.296 4.556 -0.001 0.000 0.340 71 H C -0.833 174.503 175.328 0.013 0.000 1.168 71 H CA -0.707 55.335 56.048 -0.009 0.000 1.247 71 H CB 1.849 31.616 29.762 0.008 0.000 1.568 71 H HN 0.236 nan 8.280 nan 0.000 0.536 72 L N 0.506 121.830 121.223 0.169 0.000 2.381 72 L HA 0.622 4.961 4.340 -0.000 0.000 0.268 72 L C -0.164 176.767 176.870 0.101 0.000 0.997 72 L CA -0.798 54.100 54.840 0.097 0.000 0.818 72 L CB 1.970 44.000 42.059 -0.049 0.000 1.310 72 L HN 0.692 nan 8.230 nan 0.000 0.416 73 A N 3.022 125.850 122.820 0.012 0.000 2.267 73 A HA 0.729 5.049 4.320 -0.000 0.000 0.315 73 A C -2.018 175.345 177.584 -0.368 0.000 1.297 73 A CA -1.403 50.577 52.037 -0.096 0.000 0.865 73 A CB 0.639 19.611 19.000 -0.045 0.000 1.165 73 A HN 0.579 nan 8.150 nan 0.000 0.513 74 P HA -0.220 nan 4.420 nan 0.000 0.217 74 P C 0.818 177.793 177.300 -0.542 0.000 1.158 74 P CA 1.523 63.807 63.100 -1.359 0.000 0.887 74 P CB 0.311 31.399 31.700 -1.019 0.000 0.792 75 E N -2.062 117.972 120.200 -0.278 0.000 2.476 75 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 75 E C 0.491 177.026 176.600 -0.108 0.000 1.064 75 E CA 0.120 56.443 56.400 -0.129 0.000 0.866 75 E CB -0.382 29.272 29.700 -0.077 0.000 0.952 75 E HN 0.146 nan 8.360 nan 0.000 0.492 76 N N 0.204 118.790 118.700 -0.191 0.000 2.517 76 N HA 0.054 4.794 4.740 -0.000 0.000 0.285 76 N C -1.644 173.577 175.510 -0.480 0.000 1.528 76 N CA -0.265 52.602 53.050 -0.305 0.000 0.892 76 N CB 0.206 38.614 38.487 -0.131 0.000 1.356 76 N HN -0.047 nan 8.380 nan 0.000 0.495 77 F N 1.522 121.118 119.950 -0.589 0.000 2.536 77 F HA 0.491 5.017 4.527 -0.000 0.000 0.322 77 F C -1.730 173.901 175.800 -0.282 0.000 1.144 77 F CA -0.725 57.030 58.000 -0.409 0.000 0.924 77 F CB 0.679 39.639 39.000 -0.067 0.000 1.181 77 F HN -0.084 nan 8.300 nan 0.000 0.438 78 Y N 5.919 125.861 120.300 -0.596 0.000 2.446 78 Y HA 0.656 5.205 4.550 -0.000 0.000 0.345 78 Y C -0.470 174.987 175.900 -0.738 0.000 0.984 78 Y CA -1.666 56.169 58.100 -0.441 0.000 1.058 78 Y CB 1.390 39.684 38.460 -0.275 0.000 1.220 78 Y HN 0.351 nan 8.280 nan 0.000 0.455 79 I N 3.225 123.575 120.570 -0.368 0.000 2.354 79 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 79 I C -0.317 175.363 176.117 -0.729 0.000 0.989 79 I CA -0.284 60.634 61.300 -0.636 0.000 1.188 79 I CB 1.301 38.925 38.000 -0.628 0.000 1.342 79 I HN 0.789 nan 8.210 nan 0.000 0.457 80 S N 4.096 119.371 115.700 -0.709 0.000 2.638 80 S HA 0.505 4.974 4.470 -0.000 0.000 0.274 80 S C -0.821 173.556 174.600 -0.373 0.000 1.157 80 S CA -1.035 56.894 58.200 -0.452 0.000 0.826 80 S CB 1.626 64.720 63.200 -0.178 0.000 1.139 80 S HN 0.486 nan 8.310 nan 0.000 0.474 81 H N 1.815 120.901 119.070 0.026 0.000 2.722 81 H HA 0.367 4.922 4.556 -0.000 0.000 0.328 81 H C 0.749 176.068 175.328 -0.014 0.000 1.067 81 H CA 0.293 56.375 56.048 0.057 0.000 1.447 81 H CB 0.981 30.798 29.762 0.092 0.000 1.469 81 H HN 0.841 nan 8.280 nan 0.000 0.544 82 S N 4.054 119.804 115.700 0.082 0.000 2.572 82 S HA 0.038 4.507 4.470 -0.000 0.000 0.279 82 S C -1.394 173.234 174.600 0.046 0.000 1.341 82 S CA -1.205 57.014 58.200 0.032 0.000 1.043 82 S CB 1.389 64.597 63.200 0.013 0.000 0.887 82 S HN 0.455 nan 8.310 nan 0.000 0.516 83 P HA -0.164 nan 4.420 nan 0.000 0.218 83 P C 0.817 178.122 177.300 0.009 0.000 1.148 83 P CA 1.386 64.493 63.100 0.012 0.000 0.822 83 P CB -0.299 31.401 31.700 0.001 0.000 0.784 84 N N -0.870 117.836 118.700 0.011 0.000 2.398 84 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 84 N C 0.529 176.047 175.510 0.013 0.000 1.122 84 N CA 0.052 53.107 53.050 0.009 0.000 0.866 84 N CB -0.831 37.661 38.487 0.008 0.000 0.970 84 N HN -0.072 nan 8.380 nan 0.000 0.462 85 S N 0.104 115.820 115.700 0.026 0.000 2.568 85 S HA 0.080 4.550 4.470 -0.000 0.000 0.282 85 S C 1.367 175.971 174.600 0.006 0.000 1.338 85 S CA 0.118 58.339 58.200 0.035 0.000 1.045 85 S CB 0.453 63.708 63.200 0.091 0.000 0.873 85 S HN 0.522 nan 8.310 nan 0.000 0.516 86 T N 1.691 116.245 114.554 -0.000 0.000 3.085 86 T HA 0.342 4.692 4.350 -0.000 0.000 0.263 86 T C 0.537 175.206 174.700 -0.052 0.000 1.127 86 T CA 0.370 62.456 62.100 -0.024 0.000 1.103 86 T CB -0.162 68.694 68.868 -0.021 0.000 0.921 86 T HN 0.686 nan 8.240 nan 0.000 0.510 87 A N 0.068 122.861 122.820 -0.045 0.000 2.306 87 A HA 0.870 5.190 4.320 -0.000 0.000 0.330 87 A C 0.438 177.836 177.584 -0.310 0.000 1.146 87 A CA -0.295 51.674 52.037 -0.114 0.000 0.827 87 A CB 1.277 20.268 19.000 -0.016 0.000 1.178 87 A HN 0.594 nan 8.150 nan 0.000 0.490 88 G N -0.766 107.713 108.800 -0.535 0.000 2.870 88 G HA2 0.565 4.525 3.960 -0.000 0.000 0.299 88 G HA3 0.565 4.525 3.960 -0.000 0.000 0.299 88 G C -2.510 171.947 174.900 -0.740 0.000 1.324 88 G CA -0.745 43.877 45.100 -0.797 0.000 0.808 88 G HN 0.298 nan 8.290 nan 0.000 0.535 89 P HA -0.066 nan 4.420 nan 0.000 0.218 89 P C 1.918 179.149 177.300 -0.115 0.000 1.146 89 P CA 1.752 64.775 63.100 -0.128 0.000 0.813 89 P CB 0.139 31.800 31.700 -0.066 0.000 0.778 90 S N -1.601 114.016 115.700 -0.140 0.000 2.442 90 S HA -0.124 4.345 4.470 -0.000 0.000 0.236 90 S C 1.191 175.722 174.600 -0.115 0.000 1.007 90 S CA 0.518 58.653 58.200 -0.109 0.000 0.965 90 S CB -1.239 61.899 63.200 -0.102 0.000 0.773 90 S HN 0.270 nan 8.310 nan 0.000 0.504 91 c N 4.031 122.543 118.600 -0.148 0.000 2.428 91 c HA 0.244 4.814 4.570 -0.000 0.000 0.362 91 c C 1.969 175.977 174.090 -0.137 0.000 1.114 91 c CA -0.396 55.849 56.329 -0.141 0.000 1.473 91 c CB -2.032 40.392 42.510 -0.143 0.000 2.003 91 c HN 0.495 nan 8.230 nan 0.000 0.526 92 T N 4.255 118.736 114.554 -0.121 0.000 2.665 92 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 92 T C 1.776 176.389 174.700 -0.145 0.000 1.035 92 T CA 2.043 64.075 62.100 -0.114 0.000 1.151 92 T CB -0.234 68.582 68.868 -0.086 0.000 0.862 92 T HN 0.818 nan 8.240 nan 0.000 0.438 93 L N 0.398 121.528 121.223 -0.156 0.000 2.012 93 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 93 L C 2.283 179.019 176.870 -0.223 0.000 1.073 93 L CA 1.572 56.314 54.840 -0.163 0.000 0.748 93 L CB -0.303 41.650 42.059 -0.177 0.000 0.891 93 L HN 0.269 nan 8.230 nan 0.000 0.431 94 L N -0.713 120.325 121.223 -0.310 0.000 2.109 94 L HA -0.138 4.201 4.340 -0.000 0.000 0.207 94 L C 2.730 178.999 176.870 -1.002 0.000 1.086 94 L CA 0.767 55.249 54.840 -0.598 0.000 0.760 94 L CB -0.631 41.104 42.059 -0.540 0.000 0.910 94 L HN 0.304 nan 8.230 nan 0.000 0.437 95 E N 0.117 119.965 120.200 -0.587 0.000 2.077 95 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 95 E C 2.100 178.572 176.600 -0.213 0.000 0.989 95 E CA 0.984 57.146 56.400 -0.397 0.000 0.800 95 E CB -0.059 29.558 29.700 -0.140 0.000 0.746 95 E HN 0.421 nan 8.360 nan 0.000 0.452 96 E N 0.645 120.747 120.200 -0.164 0.000 2.072 96 E HA -0.094 4.255 4.350 -0.000 0.000 0.191 96 E C 2.005 178.587 176.600 -0.030 0.000 0.985 96 E CA 0.953 57.304 56.400 -0.081 0.000 0.801 96 E CB -0.293 29.358 29.700 -0.081 0.000 0.750 96 E HN 0.205 nan 8.360 nan 0.000 0.452 97 A N 1.039 123.839 122.820 -0.034 0.000 1.902 97 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 97 A C 1.992 179.798 177.584 0.369 0.000 1.181 97 A CA 1.071 53.212 52.037 0.174 0.000 0.623 97 A CB -0.674 18.422 19.000 0.160 0.000 0.818 97 A HN 0.115 nan 8.150 nan 0.000 0.443 98 F N -0.114 119.893 119.950 0.096 0.000 2.095 98 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 98 F C 2.414 178.294 175.800 0.134 0.000 1.104 98 F CA 1.290 59.345 58.000 0.093 0.000 1.232 98 F CB -1.114 37.881 39.000 -0.009 0.000 0.987 98 F HN 0.269 nan 8.300 nan 0.000 0.475 99 R N 0.923 121.570 120.500 0.245 0.000 2.066 99 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 99 R C 2.500 178.835 176.300 0.058 0.000 1.131 99 R CA 1.728 57.906 56.100 0.130 0.000 0.955 99 R CB -0.182 30.144 30.300 0.043 0.000 0.851 99 R HN 0.345 nan 8.270 nan 0.000 0.432 100 R N -1.405 119.069 120.500 -0.044 0.000 2.148 100 R HA -0.121 4.219 4.340 -0.000 0.000 0.223 100 R C 1.494 177.464 176.300 -0.550 0.000 1.088 100 R CA 1.408 57.296 56.100 -0.353 0.000 0.985 100 R CB -0.589 29.473 30.300 -0.398 0.000 0.880 100 R HN 0.258 nan 8.270 nan 0.000 0.451 101 Y N 0.544 120.855 120.300 0.019 0.000 2.337 101 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 101 Y C 2.653 178.642 175.900 0.147 0.000 1.123 101 Y CA 1.354 59.552 58.100 0.164 0.000 1.201 101 Y CB -0.428 38.180 38.460 0.248 0.000 1.011 101 Y HN 0.231 nan 8.280 nan 0.000 0.545 102 H N -0.384 118.829 119.070 0.237 0.000 2.352 102 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 102 H C 2.298 177.743 175.328 0.196 0.000 1.097 102 H CA 1.651 57.868 56.048 0.282 0.000 1.311 102 H CB -0.430 29.489 29.762 0.261 0.000 1.377 102 H HN 0.451 nan 8.280 nan 0.000 0.504 103 G N -0.606 108.292 108.800 0.162 0.000 2.418 103 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 103 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 103 G C 1.310 176.210 174.900 -0.001 0.000 1.158 103 G CA 0.684 45.806 45.100 0.036 0.000 0.771 103 G HN 0.373 nan 8.290 nan 0.000 0.545 104 Y N 0.615 120.898 120.300 -0.028 0.000 2.200 104 Y HA 0.062 4.612 4.550 0.000 0.000 0.290 104 Y C 2.725 178.537 175.900 -0.146 0.000 1.137 104 Y CA 0.002 58.034 58.100 -0.113 0.000 1.163 104 Y CB -0.695 37.649 38.460 -0.192 0.000 0.988 104 Y HN 0.127 nan 8.280 nan 0.000 0.518 105 I N -1.463 119.065 120.570 -0.070 0.000 2.163 105 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 105 I C 1.650 177.373 176.117 -0.658 0.000 1.085 105 I CA 1.634 62.644 61.300 -0.483 0.000 1.347 105 I CB -0.326 37.156 38.000 -0.864 0.000 1.044 105 I HN 0.036 nan 8.210 nan 0.000 0.408 106 F N -0.093 119.735 119.950 -0.204 0.000 2.293 106 F HA 0.399 4.926 4.527 0.000 0.000 0.272 106 F C 1.716 177.540 175.800 0.039 0.000 1.053 106 F CA 0.651 58.494 58.000 -0.261 0.000 1.152 106 F CB -1.325 37.392 39.000 -0.472 0.000 1.119 106 F HN 0.102 nan 8.300 nan 0.000 0.564 123 Q N 2.342 122.142 119.800 0.000 0.000 2.278 123 Q HA 0.569 4.909 4.340 -0.000 0.000 0.257 123 Q C -0.933 175.111 176.000 0.073 0.000 0.928 123 Q CA -0.267 55.566 55.803 0.050 0.000 0.932 123 Q CB 1.259 30.033 28.738 0.060 0.000 1.221 123 Q HN 0.127 nan 8.270 nan 0.000 0.434 124 V N 5.668 125.649 119.914 0.113 0.000 2.372 124 V HA 0.008 4.128 4.120 -0.000 0.000 0.261 124 V C 0.841 177.081 176.094 0.244 0.000 1.055 124 V CA 0.117 62.522 62.300 0.175 0.000 0.930 124 V CB 1.019 32.977 31.823 0.226 0.000 1.031 124 V HN 0.904 nan 8.190 nan 0.000 0.479 125 Q N 2.967 122.861 119.800 0.156 0.000 2.269 125 Q HA 0.121 4.461 4.340 -0.000 0.000 0.201 125 Q C 0.594 176.576 176.000 -0.031 0.000 0.946 125 Q CA 0.665 56.517 55.803 0.082 0.000 0.877 125 Q CB 0.833 29.594 28.738 0.038 0.000 0.963 125 Q HN 0.774 nan 8.270 nan 0.000 0.472 126 Q N 0.034 119.814 119.800 -0.033 0.000 2.426 126 Q HA 0.362 4.702 4.340 -0.000 0.000 0.278 126 Q C -2.133 173.720 176.000 -0.245 0.000 1.007 126 Q CA -0.505 55.123 55.803 -0.292 0.000 0.850 126 Q CB 1.921 30.595 28.738 -0.107 0.000 1.427 126 Q HN 0.082 nan 8.270 nan 0.000 0.391 127 L N 4.111 125.045 121.223 -0.481 0.000 2.294 127 L HA 0.508 4.847 4.340 -0.000 0.000 0.283 127 L C -1.756 174.873 176.870 -0.401 0.000 1.015 127 L CA -0.137 54.463 54.840 -0.399 0.000 0.831 127 L CB 1.049 42.768 42.059 -0.567 0.000 1.217 127 L HN 0.611 nan 8.230 nan 0.000 0.420 128 L N 5.679 126.742 121.223 -0.267 0.000 2.292 128 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 128 L C -0.572 176.175 176.870 -0.206 0.000 1.065 128 L CA -0.755 53.953 54.840 -0.220 0.000 0.806 128 L CB 1.673 43.662 42.059 -0.117 0.000 1.175 128 L HN 0.332 nan 8.230 nan 0.000 0.431 129 V N 2.483 122.278 119.914 -0.199 0.000 2.357 129 V HA 0.255 4.375 4.120 -0.000 0.000 0.284 129 V C 0.022 176.121 176.094 0.008 0.000 1.018 129 V CA -0.340 61.897 62.300 -0.106 0.000 0.841 129 V CB 1.529 33.294 31.823 -0.095 0.000 0.991 129 V HN 0.756 nan 8.190 nan 0.000 0.437 130 S N 6.163 121.874 115.700 0.017 0.000 2.474 130 S HA 0.622 5.092 4.470 -0.000 0.000 0.321 130 S C -0.532 174.096 174.600 0.047 0.000 1.080 130 S CA -0.636 57.588 58.200 0.040 0.000 1.106 130 S CB 0.252 63.467 63.200 0.024 0.000 0.984 130 S HN 0.474 nan 8.310 nan 0.000 0.464 131 I N 5.311 125.912 120.570 0.052 0.000 2.315 131 I HA 0.245 4.414 4.170 -0.000 0.000 0.291 131 I C 1.407 177.539 176.117 0.024 0.000 1.006 131 I CA -0.161 61.158 61.300 0.031 0.000 1.265 131 I CB 0.634 38.640 38.000 0.010 0.000 1.387 131 I HN 0.584 nan 8.210 nan 0.000 0.475 132 T N 5.760 120.330 114.554 0.027 0.000 2.894 132 T HA 0.219 4.569 4.350 -0.000 0.000 0.258 132 T C 1.080 175.792 174.700 0.020 0.000 1.043 132 T CA 0.718 62.833 62.100 0.025 0.000 1.141 132 T CB 0.173 69.061 68.868 0.033 0.000 0.873 132 T HN 0.320 nan 8.240 nan 0.000 0.449 133 L N 0.611 121.848 121.223 0.022 0.000 2.397 133 L HA 0.418 4.758 4.340 -0.000 0.000 0.266 133 L C 0.269 177.144 176.870 0.009 0.000 1.040 133 L CA -1.260 53.593 54.840 0.022 0.000 0.800 133 L CB 0.413 42.494 42.059 0.036 0.000 1.324 133 L HN -0.005 nan 8.230 nan 0.000 0.469 134 Q N 0.476 120.283 119.800 0.012 0.000 2.436 134 Q HA -0.095 4.245 4.340 -0.000 0.000 0.326 134 Q C 1.151 177.143 176.000 -0.014 0.000 1.079 134 Q CA 0.469 56.273 55.803 0.002 0.000 1.049 134 Q CB 0.507 29.255 28.738 0.016 0.000 1.047 134 Q HN 0.745 nan 8.270 nan 0.000 0.386 135 S N 2.635 118.305 115.700 -0.050 0.000 2.402 135 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 135 S C 0.329 174.820 174.600 -0.183 0.000 1.021 135 S CA 0.942 59.076 58.200 -0.110 0.000 0.974 135 S CB 0.050 63.176 63.200 -0.124 0.000 0.800 135 S HN 0.835 nan 8.310 nan 0.000 0.484 136 E N -1.066 119.072 120.200 -0.103 0.000 2.868 136 E HA -0.231 4.119 4.350 -0.000 0.000 0.278 136 E C 0.902 177.374 176.600 -0.214 0.000 1.009 136 E CA 0.525 56.890 56.400 -0.057 0.000 0.856 136 E CB -2.583 27.201 29.700 0.139 0.000 1.428 136 E HN 0.676 nan 8.360 nan 0.000 0.423 137 c N 0.561 119.019 118.600 -0.236 0.000 2.413 137 c HA -0.151 4.418 4.570 -0.000 0.000 0.277 137 c C 1.563 175.539 174.090 -0.190 0.000 1.265 137 c CA 1.488 57.656 56.329 -0.268 0.000 1.752 137 c CB -0.315 42.077 42.510 -0.197 0.000 1.998 137 c HN 0.419 nan 8.230 nan 0.000 0.489 138 D N 0.329 120.657 120.400 -0.118 0.000 2.342 138 D HA 0.326 4.966 4.640 -0.000 0.000 0.221 138 D C 0.492 176.730 176.300 -0.104 0.000 1.101 138 D CA 0.511 54.446 54.000 -0.108 0.000 0.837 138 D CB 0.246 41.002 40.800 -0.074 0.000 0.938 138 D HN 0.603 nan 8.370 nan 0.000 0.508 139 A N -0.075 122.736 122.820 -0.015 0.000 2.282 139 A HA 0.647 4.967 4.320 -0.000 0.000 0.324 139 A C -0.606 177.022 177.584 0.073 0.000 1.119 139 A CA -0.511 51.575 52.037 0.082 0.000 0.880 139 A CB 0.822 19.968 19.000 0.243 0.000 1.294 139 A HN -0.049 nan 8.150 nan 0.000 0.493 140 F N 0.908 121.003 119.950 0.241 0.000 2.399 140 F HA 0.460 4.987 4.527 -0.001 0.000 0.334 140 F C -1.628 174.148 175.800 -0.040 0.000 1.097 140 F CA -1.883 56.206 58.000 0.149 0.000 1.076 140 F CB 1.090 40.143 39.000 0.089 0.000 1.162 140 F HN 0.311 nan 8.300 nan 0.000 0.495 141 P HA 0.196 nan 4.420 nan 0.000 0.272 141 P C -1.312 175.847 177.300 -0.236 0.000 1.230 141 P CA -0.313 62.350 63.100 -0.727 0.000 0.788 141 P CB 0.916 32.033 31.700 -0.970 0.000 0.949 142 N N -0.076 118.493 118.700 -0.219 0.000 2.831 142 N HA 0.219 4.959 4.740 -0.000 0.000 0.276 142 N C 0.447 175.938 175.510 -0.033 0.000 1.416 142 N CA -0.822 52.205 53.050 -0.038 0.000 0.799 142 N CB -0.234 38.277 38.487 0.040 0.000 1.554 142 N HN 0.125 nan 8.380 nan 0.000 0.541 143 I N 0.080 120.689 120.570 0.065 0.000 2.335 143 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 143 I C 1.437 177.580 176.117 0.043 0.000 1.129 143 I CA 1.826 63.161 61.300 0.058 0.000 1.402 143 I CB -0.556 37.505 38.000 0.102 0.000 1.069 143 I HN 0.718 nan 8.210 nan 0.000 0.424 144 S N -1.316 114.414 115.700 0.050 0.000 2.575 144 S HA 0.203 4.673 4.470 -0.000 0.000 0.215 144 S C 0.996 175.618 174.600 0.036 0.000 0.966 144 S CA -0.324 57.906 58.200 0.049 0.000 0.911 144 S CB -0.801 62.439 63.200 0.066 0.000 0.780 144 S HN 0.298 nan 8.310 nan 0.000 0.514 145 S N 3.245 118.932 115.700 -0.022 0.000 2.552 145 S HA 0.078 4.548 4.470 -0.000 0.000 0.289 145 S C -0.140 174.510 174.600 0.083 0.000 1.304 145 S CA -0.066 58.112 58.200 -0.037 0.000 1.063 145 S CB 0.282 63.226 63.200 -0.427 0.000 0.848 145 S HN 0.494 nan 8.310 nan 0.000 0.499 146 D N 2.104 122.634 120.400 0.216 0.000 2.339 146 D HA 0.103 4.743 4.640 -0.000 0.000 0.241 146 D C 0.360 176.835 176.300 0.292 0.000 1.183 146 D CA -0.148 53.974 54.000 0.204 0.000 0.859 146 D CB 0.495 41.406 40.800 0.185 0.000 1.067 146 D HN 0.559 nan 8.370 nan 0.000 0.484 147 E N 1.271 121.615 120.200 0.239 0.000 2.465 147 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 147 E C 0.357 177.176 176.600 0.365 0.000 1.028 147 E CA -0.247 56.359 56.400 0.344 0.000 0.899 147 E CB 0.351 30.261 29.700 0.350 0.000 1.032 147 E HN 0.427 nan 8.360 nan 0.000 0.468 148 S N 0.853 116.690 115.700 0.228 0.000 2.585 148 S HA 0.324 4.794 4.470 -0.000 0.000 0.273 148 S C -0.294 174.473 174.600 0.278 0.000 1.339 148 S CA -0.590 57.710 58.200 0.166 0.000 1.028 148 S CB 0.285 63.514 63.200 0.049 0.000 0.906 148 S HN 0.297 nan 8.310 nan 0.000 0.528 149 Y N -1.902 118.473 120.300 0.126 0.000 2.713 149 Y HA 0.730 5.280 4.550 0.000 0.000 0.335 149 Y C -0.804 175.145 175.900 0.081 0.000 1.222 149 Y CA -0.872 57.286 58.100 0.097 0.000 1.061 149 Y CB 0.809 39.331 38.460 0.104 0.000 1.314 149 Y HN 0.887 nan 8.280 nan 0.000 0.453 150 T N 0.568 115.248 114.554 0.210 0.000 2.907 150 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 150 T C -1.902 172.964 174.700 0.277 0.000 1.043 150 T CA -0.678 61.502 62.100 0.134 0.000 1.003 150 T CB 1.969 70.872 68.868 0.059 0.000 1.084 150 T HN 0.946 nan 8.240 nan 0.000 0.483 151 L N 2.269 123.633 121.223 0.236 0.000 2.406 151 L HA 0.643 4.983 4.340 -0.000 0.000 0.272 151 L C -1.562 175.390 176.870 0.136 0.000 0.980 151 L CA -0.905 54.057 54.840 0.203 0.000 0.831 151 L CB 1.536 43.764 42.059 0.282 0.000 1.253 151 L HN 0.783 nan 8.230 nan 0.000 0.406 152 L N 6.175 127.457 121.223 0.098 0.000 2.295 152 L HA 0.530 4.869 4.340 -0.000 0.000 0.281 152 L C -0.761 176.166 176.870 0.094 0.000 1.018 152 L CA -0.754 54.135 54.840 0.081 0.000 0.841 152 L CB 1.713 43.804 42.059 0.054 0.000 1.218 152 L HN 0.289 nan 8.230 nan 0.000 0.424 153 V N 4.656 124.642 119.914 0.119 0.000 2.364 153 V HA 0.444 4.564 4.120 -0.000 0.000 0.272 153 V C 0.002 176.156 176.094 0.101 0.000 1.036 153 V CA -0.349 62.041 62.300 0.150 0.000 0.880 153 V CB 0.915 32.847 31.823 0.182 0.000 0.991 153 V HN 0.812 nan 8.190 nan 0.000 0.460 154 K N 3.381 123.836 120.400 0.092 0.000 2.571 154 K HA 0.649 4.968 4.320 -0.000 0.000 0.289 154 K C -1.078 175.560 176.600 0.064 0.000 1.028 154 K CA -1.043 55.282 56.287 0.063 0.000 0.895 154 K CB 2.212 34.740 32.500 0.046 0.000 1.534 154 K HN 0.497 nan 8.250 nan 0.000 0.421 155 E N 1.357 121.585 120.200 0.045 0.000 2.214 155 E HA 0.284 4.634 4.350 -0.000 0.000 0.274 155 E C -1.680 174.939 176.600 0.032 0.000 0.977 155 E CA -2.052 54.373 56.400 0.042 0.000 0.827 155 E CB 1.290 31.005 29.700 0.026 0.000 1.130 155 E HN 0.526 nan 8.360 nan 0.000 0.394 156 P HA 0.121 nan 4.420 nan 0.000 0.245 156 P C -0.168 177.163 177.300 0.051 0.000 1.206 156 P CA 0.030 63.156 63.100 0.043 0.000 0.781 156 P CB 0.377 32.098 31.700 0.034 0.000 0.994 157 V N 0.689 120.625 119.914 0.038 0.000 2.443 157 V HA 0.591 4.711 4.120 -0.000 0.000 0.293 157 V C 0.216 176.323 176.094 0.022 0.000 1.021 157 V CA -1.186 61.126 62.300 0.020 0.000 0.848 157 V CB 1.379 33.200 31.823 -0.003 0.000 0.998 157 V HN 0.119 nan 8.190 nan 0.000 0.424 158 A N 4.756 127.592 122.820 0.027 0.000 2.304 158 A HA 0.855 5.174 4.320 -0.000 0.000 0.271 158 A C -0.484 177.067 177.584 -0.055 0.000 1.091 158 A CA -0.402 51.646 52.037 0.018 0.000 0.812 158 A CB 1.113 20.151 19.000 0.064 0.000 1.056 158 A HN 0.755 nan 8.150 nan 0.000 0.489 159 V N 1.778 121.669 119.914 -0.038 0.000 2.577 159 V HA 0.430 4.550 4.120 -0.000 0.000 0.303 159 V C -1.004 175.068 176.094 -0.037 0.000 1.042 159 V CA -0.449 61.820 62.300 -0.051 0.000 0.872 159 V CB 1.422 33.236 31.823 -0.015 0.000 0.998 159 V HN 0.834 nan 8.190 nan 0.000 0.423 160 L N 4.978 126.158 121.223 -0.071 0.000 2.305 160 L HA 0.681 5.021 4.340 -0.000 0.000 0.284 160 L C -0.464 176.414 176.870 0.013 0.000 1.013 160 L CA -0.044 54.779 54.840 -0.027 0.000 0.819 160 L CB 1.170 43.161 42.059 -0.113 0.000 1.227 160 L HN 0.711 nan 8.230 nan 0.000 0.417 161 K N 4.518 124.963 120.400 0.075 0.000 2.345 161 K HA 0.923 5.243 4.320 -0.000 0.000 0.255 161 K C -1.668 175.006 176.600 0.124 0.000 0.934 161 K CA -0.489 55.843 56.287 0.076 0.000 0.801 161 K CB 1.703 34.241 32.500 0.062 0.000 1.137 161 K HN 0.828 nan 8.250 nan 0.000 0.424 162 A N 3.167 126.048 122.820 0.102 0.000 2.547 162 A HA 0.294 4.613 4.320 -0.000 0.000 0.297 162 A C -0.229 177.406 177.584 0.086 0.000 1.056 162 A CA -0.825 51.289 52.037 0.128 0.000 0.688 162 A CB 1.406 20.493 19.000 0.145 0.000 1.282 162 A HN 0.853 nan 8.150 nan 0.000 0.400 163 N N 0.483 119.240 118.700 0.094 0.000 2.104 163 N HA -0.091 4.649 4.740 -0.000 0.000 0.190 163 N C 0.422 175.966 175.510 0.056 0.000 1.024 163 N CA 1.379 54.474 53.050 0.075 0.000 0.853 163 N CB -0.125 38.415 38.487 0.089 0.000 1.008 163 N HN 0.623 nan 8.380 nan 0.000 0.424 164 R N -1.245 119.291 120.500 0.060 0.000 2.888 164 R HA 0.297 4.637 4.340 -0.000 0.000 0.264 164 R C 1.180 177.400 176.300 -0.135 0.000 1.045 164 R CA -0.742 55.337 56.100 -0.036 0.000 0.962 164 R CB 0.174 30.500 30.300 0.042 0.000 1.210 164 R HN -0.251 nan 8.270 nan 0.000 0.479 165 V N 0.566 120.246 119.914 -0.389 0.000 2.380 165 V HA -0.249 3.870 4.120 -0.000 0.000 0.251 165 V C 1.623 177.518 176.094 -0.331 0.000 1.063 165 V CA 2.055 64.079 62.300 -0.461 0.000 1.055 165 V CB -0.389 30.990 31.823 -0.741 0.000 0.657 165 V HN 0.646 nan 8.190 nan 0.000 0.455 166 W N 0.002 121.347 121.300 0.074 0.000 2.338 166 W HA -0.065 4.594 4.660 -0.001 0.000 0.304 166 W C 2.491 179.086 176.519 0.126 0.000 1.212 166 W CA 0.808 58.212 57.345 0.098 0.000 1.264 166 W CB -1.075 28.452 29.460 0.112 0.000 1.142 166 W HN 0.268 nan 8.180 nan 0.000 0.512 167 G N 0.399 109.385 108.800 0.310 0.000 2.408 167 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.217 167 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.217 167 G C 1.670 176.642 174.900 0.119 0.000 1.150 167 G CA 1.157 46.442 45.100 0.308 0.000 0.776 167 G HN 0.313 nan 8.290 nan 0.000 0.542 168 A N 0.640 123.486 122.820 0.044 0.000 1.933 168 A HA 0.105 4.424 4.320 -0.000 0.000 0.218 168 A C 2.412 179.938 177.584 -0.098 0.000 1.175 168 A CA 1.134 53.145 52.037 -0.044 0.000 0.628 168 A CB -0.370 18.625 19.000 -0.009 0.000 0.814 168 A HN 0.353 nan 8.150 nan 0.000 0.444 169 L N -0.959 120.252 121.223 -0.021 0.000 2.012 169 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 169 L C 2.887 179.705 176.870 -0.087 0.000 1.073 169 L CA 1.221 56.061 54.840 -0.001 0.000 0.748 169 L CB -0.524 41.609 42.059 0.122 0.000 0.891 169 L HN 0.276 nan 8.230 nan 0.000 0.431 170 R N 0.260 120.723 120.500 -0.062 0.000 2.083 170 R HA -0.107 4.232 4.340 -0.000 0.000 0.237 170 R C 2.277 178.260 176.300 -0.528 0.000 1.137 170 R CA 1.514 57.513 56.100 -0.168 0.000 0.951 170 R CB -1.533 28.821 30.300 0.090 0.000 0.851 170 R HN 0.433 nan 8.270 nan 0.000 0.434 171 G N 0.971 109.207 108.800 -0.942 0.000 2.432 171 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 171 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 171 G C 1.644 176.251 174.900 -0.489 0.000 1.135 171 G CA 0.304 44.714 45.100 -1.150 0.000 0.767 171 G HN 0.197 nan 8.290 nan 0.000 0.550 172 L N -0.040 120.923 121.223 -0.433 0.000 2.083 172 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 172 L C 2.780 179.258 176.870 -0.654 0.000 1.083 172 L CA 1.347 55.885 54.840 -0.504 0.000 0.752 172 L CB -0.255 41.418 42.059 -0.643 0.000 0.899 172 L HN 0.216 nan 8.230 nan 0.000 0.433 173 E N 0.140 119.995 120.200 -0.574 0.000 2.051 173 E HA -0.186 4.163 4.350 -0.000 0.000 0.192 173 E C 2.032 178.566 176.600 -0.109 0.000 0.991 173 E CA 2.142 58.413 56.400 -0.215 0.000 0.799 173 E CB -0.274 29.419 29.700 -0.012 0.000 0.748 173 E HN 0.286 nan 8.360 nan 0.000 0.449 174 T N 0.412 114.882 114.554 -0.139 0.000 2.684 174 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 174 T C 1.538 176.235 174.700 -0.006 0.000 1.036 174 T CA 1.364 63.434 62.100 -0.051 0.000 1.148 174 T CB -0.648 68.234 68.868 0.024 0.000 0.863 174 T HN 0.264 nan 8.240 nan 0.000 0.436 175 F N 2.703 122.572 119.950 -0.134 0.000 2.126 175 F HA -0.206 4.320 4.527 -0.001 0.000 0.299 175 F C 2.641 178.384 175.800 -0.096 0.000 1.096 175 F CA 1.688 59.629 58.000 -0.099 0.000 1.255 175 F CB -0.591 38.342 39.000 -0.112 0.000 0.997 175 F HN 0.229 nan 8.300 nan 0.000 0.479 176 S N -0.446 115.216 115.700 -0.063 0.000 2.419 176 S HA -0.243 4.227 4.470 -0.000 0.000 0.233 176 S C 1.754 176.255 174.600 -0.165 0.000 1.016 176 S CA 1.300 59.437 58.200 -0.106 0.000 0.974 176 S CB -0.774 62.527 63.200 0.167 0.000 0.786 176 S HN 0.687 nan 8.310 nan 0.000 0.492 177 Q N 0.352 120.081 119.800 -0.118 0.000 2.378 177 Q HA 0.248 4.588 4.340 -0.000 0.000 0.205 177 Q C 1.931 177.868 176.000 -0.105 0.000 0.954 177 Q CA 0.677 56.425 55.803 -0.091 0.000 0.901 177 Q CB -0.265 28.446 28.738 -0.045 0.000 0.981 177 Q HN 0.570 nan 8.270 nan 0.000 0.483 178 L N -0.123 120.994 121.223 -0.176 0.000 2.270 178 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 178 L C 0.637 177.432 176.870 -0.125 0.000 1.104 178 L CA 0.012 54.766 54.840 -0.143 0.000 0.804 178 L CB 0.318 42.265 42.059 -0.187 0.000 0.937 178 L HN -0.050 nan 8.230 nan 0.000 0.450 179 V N 0.617 120.343 119.914 -0.314 0.000 2.555 179 V HA 0.076 4.196 4.120 -0.000 0.000 0.286 179 V C -0.376 175.681 176.094 -0.063 0.000 1.044 179 V CA -0.248 61.869 62.300 -0.305 0.000 1.026 179 V CB 0.175 31.675 31.823 -0.539 0.000 0.981 179 V HN 0.217 nan 8.190 nan 0.000 0.480 180 Y N 1.868 122.090 120.300 -0.130 0.000 2.644 180 Y HA 0.713 5.264 4.550 0.000 0.000 0.338 180 Y C -0.682 175.148 175.900 -0.117 0.000 1.119 180 Y CA -1.543 56.492 58.100 -0.108 0.000 1.060 180 Y CB 1.439 39.834 38.460 -0.110 0.000 1.294 180 Y HN 0.472 nan 8.280 nan 0.000 0.472 181 Q N 2.308 122.056 119.800 -0.087 0.000 2.271 181 Q HA 0.254 4.594 4.340 -0.000 0.000 0.258 181 Q C -0.882 175.081 176.000 -0.062 0.000 0.936 181 Q CA -1.018 54.617 55.803 -0.281 0.000 0.909 181 Q CB 1.706 30.192 28.738 -0.421 0.000 1.253 181 Q HN 0.797 nan 8.270 nan 0.000 0.440 182 D N 0.283 120.624 120.400 -0.099 0.000 2.356 182 D HA 0.005 4.645 4.640 -0.000 0.000 0.258 182 D C 0.441 176.699 176.300 -0.070 0.000 1.279 182 D CA -0.305 53.708 54.000 0.023 0.000 1.016 182 D CB 0.391 41.231 40.800 0.066 0.000 1.107 182 D HN 0.272 nan 8.370 nan 0.000 0.544 183 S N -1.652 113.970 115.700 -0.130 0.000 2.442 183 S HA -0.141 4.329 4.470 -0.000 0.000 0.236 183 S C 1.004 175.329 174.600 -0.459 0.000 1.007 183 S CA 0.757 58.757 58.200 -0.334 0.000 0.965 183 S CB -0.572 62.329 63.200 -0.499 0.000 0.773 183 S HN 0.463 nan 8.310 nan 0.000 0.504 184 Y N 0.369 120.624 120.300 -0.074 0.000 2.493 184 Y HA 0.383 4.933 4.550 -0.000 0.000 0.275 184 Y C 1.721 177.543 175.900 -0.129 0.000 1.183 184 Y CA -0.134 57.915 58.100 -0.085 0.000 1.258 184 Y CB -0.137 38.280 38.460 -0.073 0.000 1.108 184 Y HN 0.258 nan 8.280 nan 0.000 0.521 185 G N -0.087 108.659 108.800 -0.089 0.000 2.176 185 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 185 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 185 G C 0.233 174.920 174.900 -0.356 0.000 0.979 185 G CA 0.278 45.247 45.100 -0.218 0.000 0.641 185 G HN 0.273 nan 8.290 nan 0.000 0.530 186 T N 1.805 116.203 114.554 -0.260 0.000 2.799 186 T HA 0.453 4.803 4.350 -0.000 0.000 0.296 186 T C 0.328 174.777 174.700 -0.419 0.000 0.947 186 T CA 0.001 61.903 62.100 -0.330 0.000 1.141 186 T CB 0.509 69.159 68.868 -0.364 0.000 0.891 186 T HN 0.196 nan 8.240 nan 0.000 0.533 187 F N 2.874 122.700 119.950 -0.207 0.000 2.543 187 F HA 0.310 4.837 4.527 -0.001 0.000 0.375 187 F C 1.382 177.014 175.800 -0.282 0.000 1.075 187 F CA 0.027 57.899 58.000 -0.212 0.000 1.225 187 F CB 0.373 39.342 39.000 -0.051 0.000 1.099 187 F HN 0.451 nan 8.300 nan 0.000 0.561 188 T N 5.082 119.452 114.554 -0.307 0.000 2.903 188 T HA 0.686 5.036 4.350 -0.000 0.000 0.299 188 T C -1.232 173.152 174.700 -0.527 0.000 1.093 188 T CA -0.654 61.218 62.100 -0.381 0.000 1.002 188 T CB 2.128 70.614 68.868 -0.636 0.000 1.127 188 T HN 0.518 nan 8.240 nan 0.000 0.488 189 I N 1.737 122.168 120.570 -0.233 0.000 2.775 189 I HA 0.430 4.599 4.170 -0.000 0.000 0.295 189 I C -1.447 174.679 176.117 0.014 0.000 1.287 189 I CA -0.824 60.410 61.300 -0.111 0.000 1.029 189 I CB 2.117 40.019 38.000 -0.163 0.000 1.282 189 I HN 0.524 nan 8.210 nan 0.000 0.426 190 N N 4.814 123.568 118.700 0.090 0.000 2.530 190 N HA 0.178 4.918 4.740 -0.000 0.000 0.273 190 N C -0.967 174.576 175.510 0.055 0.000 1.173 190 N CA -0.204 52.894 53.050 0.079 0.000 0.967 190 N CB 0.659 39.200 38.487 0.090 0.000 1.109 190 N HN 0.487 nan 8.380 nan 0.000 0.453 191 E N 0.587 120.814 120.200 0.045 0.000 2.465 191 E HA 0.169 4.518 4.350 -0.000 0.000 0.260 191 E C -0.396 176.235 176.600 0.051 0.000 0.980 191 E CA 0.262 56.691 56.400 0.048 0.000 0.927 191 E CB 0.316 30.037 29.700 0.035 0.000 0.934 191 E HN 0.657 nan 8.360 nan 0.000 0.459 192 S N 1.668 117.405 115.700 0.062 0.000 2.611 192 S HA 0.460 4.930 4.470 -0.000 0.000 0.268 192 S C -0.886 173.755 174.600 0.068 0.000 1.156 192 S CA -1.040 57.195 58.200 0.059 0.000 0.817 192 S CB 2.089 65.326 63.200 0.061 0.000 1.122 192 S HN 0.248 nan 8.310 nan 0.000 0.466 193 T N 1.623 116.212 114.554 0.058 0.000 2.881 193 T HA 0.610 4.960 4.350 -0.000 0.000 0.291 193 T C -0.920 173.813 174.700 0.055 0.000 0.990 193 T CA -0.415 61.719 62.100 0.058 0.000 0.976 193 T CB 0.578 69.470 68.868 0.039 0.000 0.970 193 T HN 0.616 nan 8.240 nan 0.000 0.438 194 I N 3.915 124.529 120.570 0.073 0.000 2.509 194 I HA 0.552 4.722 4.170 -0.000 0.000 0.293 194 I C -0.743 175.373 176.117 -0.002 0.000 1.020 194 I CA -1.014 60.320 61.300 0.057 0.000 1.088 194 I CB 2.057 40.130 38.000 0.121 0.000 1.267 194 I HN 0.465 nan 8.210 nan 0.000 0.430 195 I N 4.862 125.395 120.570 -0.061 0.000 2.465 195 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 195 I C -1.101 174.896 176.117 -0.200 0.000 1.014 195 I CA -0.296 60.925 61.300 -0.132 0.000 1.093 195 I CB 1.980 39.936 38.000 -0.074 0.000 1.267 195 I HN 0.461 nan 8.210 nan 0.000 0.431 196 D N 3.533 123.706 120.400 -0.379 0.000 2.736 196 D HA 0.695 5.335 4.640 -0.000 0.000 0.223 196 D C -1.476 174.690 176.300 -0.223 0.000 1.231 196 D CA -0.095 53.733 54.000 -0.287 0.000 0.818 196 D CB 2.279 42.838 40.800 -0.402 0.000 1.587 196 D HN 0.582 nan 8.370 nan 0.000 0.463 197 S N 1.280 116.898 115.700 -0.136 0.000 2.565 197 S HA 0.690 5.160 4.470 -0.000 0.000 0.274 197 S C -3.103 171.005 174.600 -0.820 0.000 1.144 197 S CA -1.167 56.850 58.200 -0.306 0.000 0.849 197 S CB 2.075 65.148 63.200 -0.212 0.000 1.103 197 S HN 0.239 nan 8.310 nan 0.000 0.455 198 P HA 0.391 nan 4.420 nan 0.000 0.278 198 P C 0.345 177.199 177.300 -0.744 0.000 1.238 198 P CA -0.604 61.600 63.100 -1.494 0.000 0.794 198 P CB 1.161 32.194 31.700 -1.111 0.000 0.955 199 R N 1.325 121.430 120.500 -0.658 0.000 2.075 199 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 199 R C -0.053 175.809 176.300 -0.731 0.000 1.126 199 R CA 1.308 57.022 56.100 -0.642 0.000 0.963 199 R CB -0.078 29.831 30.300 -0.652 0.000 0.858 199 R HN 0.404 nan 8.270 nan 0.000 0.435 200 F N -1.369 118.532 119.950 -0.082 0.000 2.563 200 F HA 0.230 4.756 4.527 -0.002 0.000 0.316 200 F C 1.061 176.859 175.800 -0.003 0.000 1.076 200 F CA -0.889 57.128 58.000 0.030 0.000 0.921 200 F CB 2.206 41.301 39.000 0.159 0.000 1.209 200 F HN -0.102 nan 8.300 nan 0.000 0.462 201 S N -0.818 115.016 115.700 0.223 0.000 2.486 201 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 201 S C 0.283 174.963 174.600 0.132 0.000 1.011 201 S CA 0.363 58.635 58.200 0.120 0.000 0.921 201 S CB -0.557 62.691 63.200 0.080 0.000 0.785 201 S HN 0.699 nan 8.310 nan 0.000 0.517 202 H N 1.785 120.905 119.070 0.083 0.000 2.641 202 H HA 0.521 5.077 4.556 -0.001 0.000 0.295 202 H C -0.490 174.896 175.328 0.097 0.000 1.070 202 H CA -0.624 55.449 56.048 0.041 0.000 1.257 202 H CB 0.263 29.992 29.762 -0.055 0.000 1.393 202 H HN 0.125 nan 8.280 nan 0.000 0.464 203 R N 4.327 124.877 120.500 0.083 0.000 2.415 203 R HA 0.321 4.661 4.340 -0.000 0.000 0.292 203 R C -0.570 175.934 176.300 0.342 0.000 1.295 203 R CA -0.658 55.562 56.100 0.200 0.000 1.137 203 R CB 1.623 31.979 30.300 0.092 0.000 1.135 203 R HN 0.658 nan 8.270 nan 0.000 0.560 204 G N 2.335 111.364 108.800 0.382 0.000 2.454 204 G HA2 0.610 4.570 3.960 -0.000 0.000 0.329 204 G HA3 0.610 4.570 3.960 -0.000 0.000 0.329 204 G C -0.568 174.408 174.900 0.126 0.000 1.177 204 G CA -0.438 44.823 45.100 0.268 0.000 0.951 204 G HN 0.243 nan 8.290 nan 0.000 0.485 205 I N 0.936 121.460 120.570 -0.077 0.000 2.436 205 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 205 I C -0.492 175.502 176.117 -0.205 0.000 1.010 205 I CA -0.727 60.397 61.300 -0.293 0.000 1.098 205 I CB 1.544 39.279 38.000 -0.442 0.000 1.266 205 I HN 0.352 nan 8.210 nan 0.000 0.434 206 L N 8.100 129.130 121.223 -0.321 0.000 2.275 206 L HA 0.614 4.954 4.340 -0.000 0.000 0.288 206 L C -0.582 175.972 176.870 -0.526 0.000 1.046 206 L CA -0.465 54.089 54.840 -0.477 0.000 0.805 206 L CB 1.007 42.587 42.059 -0.799 0.000 1.193 206 L HN 0.571 nan 8.230 nan 0.000 0.426 207 I N 1.272 121.595 120.570 -0.412 0.000 2.693 207 I HA 0.609 4.778 4.170 -0.000 0.000 0.303 207 I C -1.008 174.951 176.117 -0.264 0.000 1.025 207 I CA -0.469 60.623 61.300 -0.346 0.000 1.086 207 I CB 1.800 39.619 38.000 -0.302 0.000 1.268 207 I HN 0.434 nan 8.210 nan 0.000 0.440 208 D N 2.922 123.213 120.400 -0.183 0.000 2.462 208 D HA 0.277 4.917 4.640 -0.000 0.000 0.245 208 D C 0.260 176.624 176.300 0.107 0.000 1.122 208 D CA -0.385 53.600 54.000 -0.024 0.000 0.864 208 D CB 1.497 42.248 40.800 -0.081 0.000 1.098 208 D HN 0.788 nan 8.370 nan 0.000 0.541 209 T N -0.126 114.563 114.554 0.224 0.000 3.186 209 T HA 0.124 4.474 4.350 -0.000 0.000 0.257 209 T C 1.200 176.094 174.700 0.323 0.000 1.029 209 T CA 0.007 62.295 62.100 0.313 0.000 0.916 209 T CB 0.328 69.509 68.868 0.523 0.000 1.041 209 T HN 0.133 nan 8.240 nan 0.000 0.562 210 S N 0.766 116.604 115.700 0.229 0.000 2.510 210 S HA 0.149 4.619 4.470 -0.000 0.000 0.230 210 S C 2.036 176.736 174.600 0.165 0.000 1.066 210 S CA -0.154 58.141 58.200 0.158 0.000 0.941 210 S CB -0.052 63.216 63.200 0.113 0.000 0.829 210 S HN 0.295 nan 8.310 nan 0.000 0.530 211 R N 0.788 121.354 120.500 0.111 0.000 2.096 211 R HA 0.191 4.531 4.340 -0.000 0.000 0.235 211 R C 0.099 176.302 176.300 -0.161 0.000 1.127 211 R CA 1.256 57.325 56.100 -0.052 0.000 0.968 211 R CB -0.484 29.714 30.300 -0.171 0.000 0.861 211 R HN 0.594 nan 8.270 nan 0.000 0.440 212 H N -3.054 116.177 119.070 0.268 0.000 2.894 212 H HA 0.195 4.751 4.556 -0.001 0.000 0.367 212 H C -1.508 174.044 175.328 0.373 0.000 1.144 212 H CA -1.146 55.080 56.048 0.297 0.000 1.180 212 H CB 1.519 31.371 29.762 0.149 0.000 1.758 212 H HN -0.031 nan 8.280 nan 0.000 0.541 213 Y N 2.970 123.555 120.300 0.476 0.000 2.411 213 Y HA 0.239 4.789 4.550 -0.000 0.000 0.333 213 Y C -0.972 175.107 175.900 0.298 0.000 1.186 213 Y CA -0.151 58.182 58.100 0.389 0.000 1.381 213 Y CB 0.407 39.123 38.460 0.426 0.000 1.273 213 Y HN 0.419 nan 8.280 nan 0.000 0.546 214 L N 9.006 130.083 121.223 -0.243 0.000 2.305 214 L HA 0.429 4.768 4.340 -0.000 0.000 0.284 214 L C -2.301 174.327 176.870 -0.404 0.000 1.013 214 L CA -2.298 52.433 54.840 -0.182 0.000 0.819 214 L CB 1.594 43.600 42.059 -0.087 0.000 1.227 214 L HN 0.565 nan 8.230 nan 0.000 0.417 215 P HA 0.003 nan 4.420 nan 0.000 0.268 215 P C 1.051 178.333 177.300 -0.031 0.000 1.208 215 P CA -0.284 62.798 63.100 -0.031 0.000 0.777 215 P CB 0.889 32.621 31.700 0.052 0.000 0.875 216 V N 2.836 122.784 119.914 0.058 0.000 2.380 216 V HA -0.292 3.827 4.120 -0.000 0.000 0.251 216 V C 2.158 178.191 176.094 -0.102 0.000 1.063 216 V CA 1.879 64.183 62.300 0.008 0.000 1.055 216 V CB -0.936 30.932 31.823 0.074 0.000 0.657 216 V HN 0.647 nan 8.190 nan 0.000 0.455 217 K N -0.633 119.723 120.400 -0.074 0.000 2.103 217 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 217 K C 2.076 178.607 176.600 -0.115 0.000 1.048 217 K CA 1.750 57.975 56.287 -0.104 0.000 0.930 217 K CB -0.295 32.171 32.500 -0.056 0.000 0.716 217 K HN 0.424 nan 8.250 nan 0.000 0.444 218 I N 0.927 121.442 120.570 -0.092 0.000 2.761 218 I HA -0.179 3.991 4.170 -0.000 0.000 0.261 218 I C 1.828 177.865 176.117 -0.135 0.000 1.198 218 I CA 0.630 61.878 61.300 -0.087 0.000 1.482 218 I CB 0.164 38.130 38.000 -0.056 0.000 1.100 218 I HN 0.092 nan 8.210 nan 0.000 0.445 219 I N 0.077 120.526 120.570 -0.201 0.000 2.252 219 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 219 I C 2.198 178.163 176.117 -0.252 0.000 1.102 219 I CA 1.177 62.304 61.300 -0.288 0.000 1.385 219 I CB -0.283 37.442 38.000 -0.458 0.000 1.064 219 I HN 0.173 nan 8.210 nan 0.000 0.414 220 L N 0.472 121.517 121.223 -0.297 0.000 2.046 220 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 220 L C 2.550 179.317 176.870 -0.171 0.000 1.077 220 L CA 1.460 56.047 54.840 -0.423 0.000 0.747 220 L CB -0.722 40.848 42.059 -0.815 0.000 0.896 220 L HN 0.202 nan 8.230 nan 0.000 0.432 221 K N -0.308 120.014 120.400 -0.129 0.000 2.063 221 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 221 K C 2.106 178.660 176.600 -0.077 0.000 1.048 221 K CA 1.825 58.071 56.287 -0.069 0.000 0.928 221 K CB -0.310 32.164 32.500 -0.044 0.000 0.713 221 K HN 0.282 nan 8.250 nan 0.000 0.442 222 T N 2.103 116.629 114.554 -0.046 0.000 2.746 222 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 222 T C 1.874 176.563 174.700 -0.018 0.000 1.039 222 T CA 1.020 63.141 62.100 0.034 0.000 1.142 222 T CB -0.166 68.700 68.868 -0.004 0.000 0.866 222 T HN 0.119 nan 8.240 nan 0.000 0.444 223 L N 0.830 122.031 121.223 -0.036 0.000 2.083 223 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 223 L C 2.522 179.331 176.870 -0.103 0.000 1.083 223 L CA 1.115 55.957 54.840 0.003 0.000 0.752 223 L CB -0.543 41.600 42.059 0.140 0.000 0.899 223 L HN 0.204 nan 8.230 nan 0.000 0.433 224 D N 0.227 120.525 120.400 -0.170 0.000 2.097 224 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 224 D C 2.242 177.824 176.300 -1.196 0.000 0.984 224 D CA 1.573 55.254 54.000 -0.533 0.000 0.826 224 D CB 0.050 40.646 40.800 -0.339 0.000 0.973 224 D HN 0.315 nan 8.370 nan 0.000 0.460 225 A N 0.780 123.064 122.820 -0.892 0.000 1.933 225 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 225 A C 2.282 179.364 177.584 -0.837 0.000 1.175 225 A CA 1.250 52.638 52.037 -1.082 0.000 0.628 225 A CB -0.537 17.647 19.000 -1.359 0.000 0.814 225 A HN 0.152 nan 8.150 nan 0.000 0.444 226 M N -0.581 118.797 119.600 -0.370 0.000 2.117 226 M HA -0.175 4.304 4.480 -0.000 0.000 0.262 226 M C 2.543 178.876 176.300 0.056 0.000 1.065 226 M CA 1.540 56.868 55.300 0.046 0.000 1.114 226 M CB -0.399 32.284 32.600 0.138 0.000 1.361 226 M HN 0.485 nan 8.290 nan 0.000 0.408 227 A N 0.291 123.037 122.820 -0.122 0.000 1.902 227 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 227 A C 1.755 179.401 177.584 0.104 0.000 1.181 227 A CA 1.507 53.538 52.037 -0.011 0.000 0.623 227 A CB -0.967 18.008 19.000 -0.041 0.000 0.818 227 A HN 0.441 nan 8.150 nan 0.000 0.443 228 F N 0.555 120.489 119.950 -0.027 0.000 2.269 228 F HA -0.095 4.432 4.527 -0.001 0.000 0.301 228 F C 1.937 177.795 175.800 0.097 0.000 1.082 228 F CA 0.657 58.643 58.000 -0.024 0.000 1.360 228 F CB -0.816 38.074 39.000 -0.183 0.000 1.041 228 F HN 0.294 nan 8.300 nan 0.000 0.512 229 N N 0.138 118.999 118.700 0.268 0.000 2.236 229 N HA -0.013 4.727 4.740 -0.000 0.000 0.196 229 N C 0.212 175.811 175.510 0.150 0.000 1.114 229 N CA 0.115 53.371 53.050 0.343 0.000 0.859 229 N CB 0.207 39.045 38.487 0.585 0.000 0.982 229 N HN 0.210 nan 8.380 nan 0.000 0.493 230 K N 0.153 120.602 120.400 0.080 0.000 3.069 230 K HA -0.179 4.141 4.320 -0.000 0.000 0.267 230 K C -0.696 175.962 176.600 0.095 0.000 1.082 230 K CA 0.460 56.744 56.287 -0.006 0.000 0.782 230 K CB -1.788 30.488 32.500 -0.374 0.000 1.230 230 K HN 0.103 nan 8.250 nan 0.000 0.488 231 F N 1.572 121.622 119.950 0.167 0.000 2.418 231 F HA 0.076 4.603 4.527 -0.000 0.000 0.341 231 F C 1.683 177.557 175.800 0.124 0.000 1.120 231 F CA 0.252 58.354 58.000 0.170 0.000 1.232 231 F CB 0.523 39.635 39.000 0.187 0.000 1.175 231 F HN 0.180 nan 8.300 nan 0.000 0.569 232 N N -0.081 118.779 118.700 0.266 0.000 2.143 232 N HA 0.133 4.872 4.740 -0.000 0.000 0.229 232 N C -1.290 174.246 175.510 0.044 0.000 1.294 232 N CA 0.176 53.309 53.050 0.138 0.000 0.883 232 N CB 0.314 38.864 38.487 0.106 0.000 1.148 232 N HN 0.172 nan 8.380 nan 0.000 0.511 233 V N 1.550 121.488 119.914 0.041 0.000 2.569 233 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 233 V C -1.121 174.988 176.094 0.024 0.000 1.044 233 V CA -0.917 61.353 62.300 -0.050 0.000 0.874 233 V CB 2.151 33.783 31.823 -0.317 0.000 1.002 233 V HN 0.161 nan 8.190 nan 0.000 0.424 234 L N 4.897 126.141 121.223 0.035 0.000 2.259 234 L HA 0.465 4.804 4.340 -0.000 0.000 0.288 234 L C 0.104 177.034 176.870 0.099 0.000 1.051 234 L CA 0.118 54.973 54.840 0.025 0.000 0.824 234 L CB 0.403 42.455 42.059 -0.013 0.000 1.206 234 L HN 0.771 nan 8.230 nan 0.000 0.429 235 H N 5.298 124.351 119.070 -0.029 0.000 3.004 235 H HA 0.056 4.612 4.556 -0.001 0.000 0.267 235 H C -1.069 174.259 175.328 -0.000 0.000 1.165 235 H CA -0.684 55.358 56.048 -0.010 0.000 1.450 235 H CB 0.360 30.106 29.762 -0.027 0.000 1.488 235 H HN 0.713 nan 8.280 nan 0.000 0.478 236 W N 7.113 128.435 121.300 0.036 0.000 2.360 236 W HA 0.086 4.746 4.660 -0.001 0.000 0.344 236 W C -0.653 175.774 176.519 -0.154 0.000 1.025 236 W CA -0.998 56.278 57.345 -0.115 0.000 1.480 236 W CB -0.865 28.503 29.460 -0.154 0.000 1.350 236 W HN 0.688 nan 8.180 nan 0.000 0.382 237 H N 5.843 124.931 119.070 0.030 0.000 3.118 237 H HA 0.086 4.642 4.556 -0.000 0.000 0.266 237 H C 1.378 176.645 175.328 -0.101 0.000 1.465 237 H CA 0.426 56.398 56.048 -0.127 0.000 1.460 237 H CB 0.107 29.702 29.762 -0.277 0.000 1.661 237 H HN 0.604 nan 8.280 nan 0.000 0.516 238 I N 3.883 124.132 120.570 -0.535 0.000 2.406 238 I HA -0.042 4.127 4.170 -0.000 0.000 0.249 238 I C -0.121 175.746 176.117 -0.416 0.000 1.122 238 I CA 0.569 61.491 61.300 -0.630 0.000 1.431 238 I CB 0.409 37.593 38.000 -1.360 0.000 1.087 238 I HN 0.403 nan 8.210 nan 0.000 0.424 239 V N -2.252 117.344 119.914 -0.530 0.000 3.001 239 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 239 V C -0.871 175.174 176.094 -0.081 0.000 1.099 239 V CA -0.726 61.374 62.300 -0.334 0.000 0.989 239 V CB 1.890 33.329 31.823 -0.641 0.000 1.040 239 V HN 0.134 nan 8.190 nan 0.000 0.434 240 D N -0.290 120.189 120.400 0.132 0.000 3.182 240 D HA 0.173 4.813 4.640 -0.000 0.000 0.352 240 D C -0.136 176.327 176.300 0.271 0.000 1.421 240 D CA -0.151 54.003 54.000 0.256 0.000 0.912 240 D CB 2.065 43.020 40.800 0.258 0.000 1.461 240 D HN 0.590 nan 8.370 nan 0.000 0.548 241 D N -0.075 120.467 120.400 0.237 0.000 2.097 241 D HA -0.145 4.494 4.640 -0.000 0.000 0.195 241 D C 1.664 178.025 176.300 0.103 0.000 0.989 241 D CA 1.636 55.735 54.000 0.165 0.000 0.827 241 D CB 0.170 41.042 40.800 0.120 0.000 0.966 241 D HN 0.246 nan 8.370 nan 0.000 0.456 242 Q N 0.037 119.876 119.800 0.064 0.000 2.172 242 Q HA 0.010 4.349 4.340 -0.000 0.000 0.200 242 Q C 0.546 176.426 176.000 -0.201 0.000 0.964 242 Q CA 0.460 56.267 55.803 0.006 0.000 0.855 242 Q CB 0.312 29.097 28.738 0.079 0.000 0.918 242 Q HN 0.224 nan 8.270 nan 0.000 0.444 243 S N -1.913 113.659 115.700 -0.214 0.000 2.565 243 S HA 0.533 5.003 4.470 -0.000 0.000 0.269 243 S C -1.516 173.056 174.600 -0.046 0.000 1.153 243 S CA -0.981 57.014 58.200 -0.341 0.000 0.835 243 S CB 0.637 63.243 63.200 -0.990 0.000 1.122 243 S HN 0.091 nan 8.310 nan 0.000 0.462 244 F N 3.146 123.016 119.950 -0.134 0.000 2.550 244 F HA 0.525 5.052 4.527 -0.000 0.000 0.348 244 F C -2.143 173.663 175.800 0.011 0.000 1.219 244 F CA -2.025 55.937 58.000 -0.064 0.000 1.203 244 F CB 2.018 40.939 39.000 -0.133 0.000 1.436 244 F HN 0.443 nan 8.300 nan 0.000 0.541 245 P HA -0.130 nan 4.420 nan 0.000 0.236 245 P C 0.075 177.525 177.300 0.250 0.000 1.177 245 P CA 0.550 63.755 63.100 0.175 0.000 0.773 245 P CB -0.244 31.618 31.700 0.271 0.000 0.878 246 Y N 2.699 123.012 120.300 0.021 0.000 2.650 246 Y HA 0.080 4.630 4.550 -0.000 0.000 0.342 246 Y C 0.750 176.823 175.900 0.288 0.000 1.110 246 Y CA -0.469 57.704 58.100 0.121 0.000 1.438 246 Y CB -0.147 38.317 38.460 0.006 0.000 1.181 246 Y HN -0.084 nan 8.280 nan 0.000 0.526 247 Q N 5.463 125.080 119.800 -0.304 0.000 2.344 247 Q HA 0.178 4.518 4.340 -0.000 0.000 0.253 247 Q C -0.518 175.093 176.000 -0.647 0.000 1.050 247 Q CA -0.253 55.378 55.803 -0.288 0.000 0.912 247 Q CB 0.451 29.107 28.738 -0.136 0.000 1.258 247 Q HN 0.734 nan 8.270 nan 0.000 0.443 248 S N 4.037 119.536 115.700 -0.335 0.000 2.513 248 S HA 0.238 4.707 4.470 -0.000 0.000 0.276 248 S C 1.033 175.589 174.600 -0.074 0.000 1.254 248 S CA -0.553 57.552 58.200 -0.158 0.000 1.053 248 S CB 0.592 63.978 63.200 0.311 0.000 0.958 248 S HN 0.797 nan 8.310 nan 0.000 0.491 249 I N 3.789 124.303 120.570 -0.094 0.000 2.233 249 I HA -0.128 4.041 4.170 -0.000 0.000 0.243 249 I C 2.658 178.707 176.117 -0.112 0.000 1.093 249 I CA 1.590 62.837 61.300 -0.089 0.000 1.380 249 I CB -0.416 37.531 38.000 -0.088 0.000 1.067 249 I HN 0.854 nan 8.210 nan 0.000 0.413 250 T N -1.680 112.772 114.554 -0.170 0.000 2.951 250 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 250 T C 0.543 174.893 174.700 -0.583 0.000 1.073 250 T CA 0.753 62.613 62.100 -0.400 0.000 1.134 250 T CB -0.293 68.246 68.868 -0.549 0.000 0.884 250 T HN 0.055 nan 8.240 nan 0.000 0.479 251 F N 1.816 121.800 119.950 0.057 0.000 2.550 251 F HA 0.445 4.971 4.527 -0.000 0.000 0.348 251 F C -2.154 173.659 175.800 0.020 0.000 1.219 251 F CA -2.967 55.079 58.000 0.075 0.000 1.203 251 F CB 1.757 40.863 39.000 0.177 0.000 1.436 251 F HN -0.052 nan 8.300 nan 0.000 0.541 252 P HA -0.154 nan 4.420 nan 0.000 0.219 252 P C 1.334 178.655 177.300 0.035 0.000 1.146 252 P CA 1.315 64.442 63.100 0.045 0.000 0.808 252 P CB 0.402 32.110 31.700 0.013 0.000 0.779 253 E N -0.540 119.688 120.200 0.046 0.000 2.268 253 E HA -0.060 4.289 4.350 -0.000 0.000 0.195 253 E C 2.065 178.612 176.600 -0.088 0.000 0.995 253 E CA 0.526 56.920 56.400 -0.011 0.000 0.836 253 E CB -0.781 28.914 29.700 -0.008 0.000 0.763 253 E HN 0.340 nan 8.360 nan 0.000 0.491 254 L N 1.106 122.249 121.223 -0.133 0.000 1.989 254 L HA -0.233 4.106 4.340 -0.000 0.000 0.211 254 L C 2.633 179.321 176.870 -0.303 0.000 1.071 254 L CA 1.899 56.473 54.840 -0.442 0.000 0.749 254 L CB -0.626 40.976 42.059 -0.761 0.000 0.890 254 L HN 0.171 nan 8.230 nan 0.000 0.431 255 S N -0.888 114.799 115.700 -0.023 0.000 2.377 255 S HA -0.094 4.375 4.470 -0.000 0.000 0.223 255 S C 1.790 176.408 174.600 0.030 0.000 1.030 255 S CA 0.838 59.107 58.200 0.115 0.000 0.970 255 S CB -0.503 62.787 63.200 0.150 0.000 0.830 255 S HN 0.342 nan 8.310 nan 0.000 0.473 256 N N 2.284 120.983 118.700 -0.001 0.000 2.094 256 N HA -0.048 4.692 4.740 -0.000 0.000 0.191 256 N C 1.536 177.037 175.510 -0.016 0.000 1.023 256 N CA 1.534 54.580 53.050 -0.007 0.000 0.857 256 N CB -0.265 38.216 38.487 -0.010 0.000 1.013 256 N HN 0.621 nan 8.380 nan 0.000 0.426 257 K N -1.172 119.204 120.400 -0.039 0.000 2.334 257 K HA 0.210 4.529 4.320 -0.000 0.000 0.195 257 K C 1.707 178.280 176.600 -0.046 0.000 1.045 257 K CA 0.505 56.764 56.287 -0.046 0.000 1.004 257 K CB 0.470 32.929 32.500 -0.069 0.000 0.837 257 K HN 0.118 nan 8.250 nan 0.000 0.510 258 G N 1.159 109.929 108.800 -0.050 0.000 2.887 258 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.211 258 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.211 258 G C 0.498 175.404 174.900 0.011 0.000 1.152 258 G CA -0.123 44.966 45.100 -0.018 0.000 0.769 258 G HN 0.269 nan 8.290 nan 0.000 0.541 259 S N -0.760 114.953 115.700 0.022 0.000 2.600 259 S HA 0.259 4.728 4.470 -0.000 0.000 0.265 259 S C 0.960 175.537 174.600 -0.038 0.000 1.325 259 S CA -0.503 57.693 58.200 -0.007 0.000 1.002 259 S CB 0.782 64.002 63.200 0.034 0.000 0.921 259 S HN 0.131 nan 8.310 nan 0.000 0.554 260 Y N 1.340 121.617 120.300 -0.039 0.000 2.224 260 Y HA 0.068 4.617 4.550 -0.001 0.000 0.289 260 Y C 1.758 177.555 175.900 -0.170 0.000 1.146 260 Y CA 1.122 59.132 58.100 -0.151 0.000 1.182 260 Y CB -0.506 37.752 38.460 -0.337 0.000 0.983 260 Y HN 0.995 nan 8.280 nan 0.000 0.524 261 S N -2.862 112.868 115.700 0.049 0.000 2.636 261 S HA 0.253 4.723 4.470 -0.000 0.000 0.268 261 S C -0.127 174.520 174.600 0.078 0.000 1.159 261 S CA -0.751 57.493 58.200 0.073 0.000 0.815 261 S CB 0.376 63.647 63.200 0.119 0.000 1.130 261 S HN -0.097 nan 8.310 nan 0.000 0.471 262 L N 2.155 123.405 121.223 0.044 0.000 2.376 262 L HA 0.144 4.484 4.340 -0.000 0.000 0.219 262 L C 2.526 179.373 176.870 -0.038 0.000 1.133 262 L CA 1.932 56.774 54.840 0.003 0.000 0.816 262 L CB -0.470 41.590 42.059 0.000 0.000 0.933 262 L HN 0.920 nan 8.230 nan 0.000 0.449 263 S N -2.863 112.810 115.700 -0.045 0.000 2.575 263 S HA 0.022 4.491 4.470 -0.000 0.000 0.215 263 S C 0.464 174.753 174.600 -0.519 0.000 0.966 263 S CA -0.135 57.949 58.200 -0.193 0.000 0.911 263 S CB -0.578 62.514 63.200 -0.181 0.000 0.780 263 S HN 0.449 nan 8.310 nan 0.000 0.514 264 H N 0.566 119.335 119.070 -0.502 0.000 2.351 264 H HA 0.701 5.257 4.556 -0.001 0.000 0.232 264 H C -0.956 173.929 175.328 -0.738 0.000 1.452 264 H CA -0.265 55.114 56.048 -1.115 0.000 1.236 264 H CB 0.532 29.944 29.762 -0.585 0.000 1.579 264 H HN 0.140 nan 8.280 nan 0.000 0.535 265 V N 1.346 120.981 119.914 -0.464 0.000 2.971 265 V HA 0.223 4.342 4.120 -0.000 0.000 0.309 265 V C -1.184 174.861 176.094 -0.082 0.000 1.130 265 V CA -0.992 61.225 62.300 -0.138 0.000 0.964 265 V CB 2.115 33.907 31.823 -0.052 0.000 1.029 265 V HN 0.363 nan 8.190 nan 0.000 0.427 266 Y N 2.275 122.751 120.300 0.294 0.000 2.434 266 Y HA 0.464 5.014 4.550 -0.000 0.000 0.341 266 Y C 1.141 177.109 175.900 0.112 0.000 0.965 266 Y CA -0.754 57.503 58.100 0.263 0.000 1.205 266 Y CB 1.162 39.824 38.460 0.337 0.000 1.121 266 Y HN 0.749 nan 8.280 nan 0.000 0.507 267 T N 0.579 115.253 114.554 0.202 0.000 2.813 267 T HA 0.139 4.489 4.350 -0.000 0.000 0.297 267 T C -1.788 172.957 174.700 0.075 0.000 1.036 267 T CA -1.691 60.459 62.100 0.084 0.000 1.044 267 T CB 1.153 70.059 68.868 0.064 0.000 0.993 267 T HN 0.263 nan 8.240 nan 0.000 0.535 268 P HA -0.100 nan 4.420 nan 0.000 0.216 268 P C 1.394 178.713 177.300 0.032 0.000 1.153 268 P CA 1.095 64.192 63.100 -0.004 0.000 0.858 268 P CB -0.076 31.605 31.700 -0.032 0.000 0.789 269 N N -1.088 117.639 118.700 0.046 0.000 2.188 269 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 269 N C 1.319 176.887 175.510 0.096 0.000 1.018 269 N CA 1.208 54.294 53.050 0.060 0.000 0.858 269 N CB -0.514 38.003 38.487 0.050 0.000 0.989 269 N HN -0.029 nan 8.380 nan 0.000 0.426 270 D N -0.511 119.974 120.400 0.141 0.000 2.123 270 D HA -0.117 4.522 4.640 -0.000 0.000 0.196 270 D C 1.969 178.404 176.300 0.225 0.000 0.992 270 D CA 0.804 54.928 54.000 0.206 0.000 0.833 270 D CB -0.412 40.597 40.800 0.348 0.000 0.954 270 D HN 0.090 nan 8.370 nan 0.000 0.455 271 V N 1.045 121.094 119.914 0.224 0.000 2.295 271 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 271 V C 2.500 178.663 176.094 0.115 0.000 1.049 271 V CA 1.571 63.998 62.300 0.211 0.000 1.024 271 V CB -0.381 31.482 31.823 0.067 0.000 0.648 271 V HN 0.112 nan 8.190 nan 0.000 0.447 272 R N -0.684 119.852 120.500 0.061 0.000 2.091 272 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 272 R C 2.356 178.725 176.300 0.116 0.000 1.136 272 R CA 2.052 58.191 56.100 0.066 0.000 0.959 272 R CB -0.425 29.909 30.300 0.057 0.000 0.856 272 R HN 0.463 nan 8.270 nan 0.000 0.437 273 M N 0.395 120.062 119.600 0.112 0.000 2.080 273 M HA -0.185 4.294 4.480 -0.000 0.000 0.260 273 M C 1.988 178.366 176.300 0.130 0.000 1.068 273 M CA 1.611 56.979 55.300 0.114 0.000 1.109 273 M CB 0.083 32.731 32.600 0.079 0.000 1.342 273 M HN 0.018 nan 8.290 nan 0.000 0.405 274 V N 0.659 120.638 119.914 0.109 0.000 2.295 274 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 274 V C 2.227 178.422 176.094 0.168 0.000 1.049 274 V CA 1.974 64.317 62.300 0.072 0.000 1.024 274 V CB -0.602 31.206 31.823 -0.024 0.000 0.648 274 V HN 0.499 nan 8.190 nan 0.000 0.447 275 I N 0.053 120.746 120.570 0.205 0.000 2.163 275 I HA -0.268 3.901 4.170 -0.000 0.000 0.243 275 I C 2.643 178.942 176.117 0.302 0.000 1.085 275 I CA 1.980 63.427 61.300 0.245 0.000 1.347 275 I CB -0.329 37.775 38.000 0.174 0.000 1.044 275 I HN 0.353 nan 8.210 nan 0.000 0.408 276 E N 0.491 120.852 120.200 0.269 0.000 2.047 276 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 276 E C 2.139 178.863 176.600 0.208 0.000 0.987 276 E CA 1.518 58.060 56.400 0.237 0.000 0.799 276 E CB -0.518 29.290 29.700 0.179 0.000 0.752 276 E HN 0.469 nan 8.360 nan 0.000 0.449 277 Y N 0.354 120.706 120.300 0.085 0.000 2.165 277 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 277 Y C 2.151 178.092 175.900 0.068 0.000 1.155 277 Y CA 2.112 60.246 58.100 0.056 0.000 1.164 277 Y CB -0.600 37.874 38.460 0.024 0.000 0.978 277 Y HN 0.166 nan 8.280 nan 0.000 0.513 278 A N 0.185 123.154 122.820 0.249 0.000 1.877 278 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 278 A C 2.355 180.038 177.584 0.165 0.000 1.186 278 A CA 1.798 53.943 52.037 0.180 0.000 0.620 278 A CB -0.807 18.302 19.000 0.182 0.000 0.822 278 A HN 0.513 nan 8.150 nan 0.000 0.443 279 R N -0.329 120.297 120.500 0.210 0.000 2.091 279 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 279 R C 1.911 178.322 176.300 0.186 0.000 1.136 279 R CA 1.583 57.817 56.100 0.223 0.000 0.959 279 R CB -0.444 29.954 30.300 0.164 0.000 0.856 279 R HN 0.542 nan 8.270 nan 0.000 0.437 280 L N 0.018 121.287 121.223 0.076 0.000 2.349 280 L HA -0.141 4.198 4.340 -0.000 0.000 0.220 280 L C 1.722 178.614 176.870 0.036 0.000 1.130 280 L CA 1.259 56.104 54.840 0.008 0.000 0.791 280 L CB -0.126 41.878 42.059 -0.091 0.000 0.918 280 L HN 0.162 nan 8.230 nan 0.000 0.444 281 R N -0.571 119.968 120.500 0.065 0.000 2.468 281 R HA 0.215 4.554 4.340 -0.000 0.000 0.280 281 R C 1.079 177.500 176.300 0.201 0.000 0.963 281 R CA 0.482 56.645 56.100 0.105 0.000 1.083 281 R CB 0.642 30.959 30.300 0.029 0.000 1.200 281 R HN 0.250 nan 8.270 nan 0.000 0.541 282 G N 1.537 110.523 108.800 0.309 0.000 2.198 282 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 282 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 282 G C 0.033 175.009 174.900 0.128 0.000 1.025 282 G CA 0.039 45.350 45.100 0.352 0.000 0.769 282 G HN 0.277 nan 8.290 nan 0.000 0.507 283 I N 0.067 120.712 120.570 0.125 0.000 2.377 283 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 283 I C 0.858 177.028 176.117 0.088 0.000 0.987 283 I CA -0.981 60.375 61.300 0.093 0.000 1.185 283 I CB 1.321 39.386 38.000 0.108 0.000 1.341 283 I HN 0.011 nan 8.210 nan 0.000 0.455 284 R N 4.404 124.930 120.500 0.044 0.000 2.441 284 R HA 0.474 4.814 4.340 -0.000 0.000 0.284 284 R C -0.925 175.433 176.300 0.096 0.000 1.070 284 R CA -0.617 55.521 56.100 0.063 0.000 1.047 284 R CB 1.355 31.658 30.300 0.004 0.000 1.016 284 R HN 0.341 nan 8.270 nan 0.000 0.477 285 V N 5.056 125.062 119.914 0.153 0.000 2.318 285 V HA 0.129 4.249 4.120 -0.000 0.000 0.271 285 V C -0.543 175.656 176.094 0.175 0.000 1.030 285 V CA -0.610 61.816 62.300 0.211 0.000 0.844 285 V CB 1.068 33.098 31.823 0.344 0.000 1.015 285 V HN 0.443 nan 8.190 nan 0.000 0.460 286 L N 9.982 131.265 121.223 0.100 0.000 2.270 286 L HA 0.593 4.933 4.340 -0.000 0.000 0.286 286 L C -2.222 174.603 176.870 -0.076 0.000 1.059 286 L CA -1.773 53.071 54.840 0.008 0.000 0.839 286 L CB 1.088 43.126 42.059 -0.036 0.000 1.221 286 L HN 0.350 nan 8.230 nan 0.000 0.431 287 P HA 0.175 nan 4.420 nan 0.000 0.280 287 P C -1.150 175.977 177.300 -0.288 0.000 1.244 287 P CA -0.276 62.485 63.100 -0.565 0.000 0.784 287 P CB 1.113 32.033 31.700 -1.299 0.000 0.913 288 E N 2.668 122.670 120.200 -0.331 0.000 2.176 288 E HA 0.397 4.747 4.350 -0.000 0.000 0.267 288 E C -1.539 174.817 176.600 -0.406 0.000 0.893 288 E CA -0.672 55.639 56.400 -0.149 0.000 0.761 288 E CB 0.678 30.388 29.700 0.017 0.000 1.133 288 E HN 0.264 nan 8.360 nan 0.000 0.409 289 F N 3.363 123.396 119.950 0.138 0.000 2.451 289 F HA 0.179 4.705 4.527 -0.000 0.000 0.367 289 F C 0.032 176.107 175.800 0.459 0.000 1.100 289 F CA -0.892 57.301 58.000 0.322 0.000 1.171 289 F CB 0.992 40.293 39.000 0.501 0.000 1.405 289 F HN 0.367 nan 8.300 nan 0.000 0.482 290 D N 2.560 123.205 120.400 0.409 0.000 2.417 290 D HA 0.262 4.902 4.640 -0.000 0.000 0.250 290 D C 0.073 176.531 176.300 0.263 0.000 1.166 290 D CA 0.673 54.902 54.000 0.382 0.000 0.881 290 D CB 0.907 41.921 40.800 0.357 0.000 1.164 290 D HN 0.537 nan 8.370 nan 0.000 0.467 291 T N 0.608 115.313 114.554 0.251 0.000 2.843 291 T HA 0.510 4.860 4.350 -0.000 0.000 0.302 291 T C -2.414 172.427 174.700 0.236 0.000 1.232 291 T CA -1.179 60.973 62.100 0.086 0.000 1.009 291 T CB 2.150 71.087 68.868 0.115 0.000 1.254 291 T HN 0.052 nan 8.240 nan 0.000 0.504 292 P HA 0.214 nan 4.420 nan 0.000 0.230 292 P C 1.000 178.156 177.300 -0.240 0.000 1.168 292 P CA 0.436 63.383 63.100 -0.255 0.000 0.793 292 P CB -0.280 31.118 31.700 -0.502 0.000 0.851 293 G N -0.738 107.959 108.800 -0.173 0.000 2.588 293 G HA2 0.137 4.096 3.960 -0.000 0.000 0.281 293 G HA3 0.137 4.096 3.960 -0.000 0.000 0.281 293 G C -0.172 174.646 174.900 -0.136 0.000 1.236 293 G CA -0.196 44.750 45.100 -0.256 0.000 0.969 293 G HN 0.255 nan 8.290 nan 0.000 0.504 294 H N -1.649 117.360 119.070 -0.102 0.000 2.820 294 H HA -0.180 4.376 4.556 -0.000 0.000 0.295 294 H C 1.322 176.650 175.328 -0.001 0.000 1.187 294 H CA 1.418 57.453 56.048 -0.022 0.000 1.144 294 H CB -1.970 27.826 29.762 0.056 0.000 1.354 294 H HN 0.684 nan 8.280 nan 0.000 0.395 295 T N -3.074 111.443 114.554 -0.062 0.000 3.182 295 T HA 0.320 4.670 4.350 -0.000 0.000 0.277 295 T C 1.888 176.615 174.700 0.045 0.000 1.013 295 T CA -0.260 61.737 62.100 -0.171 0.000 0.900 295 T CB 0.330 68.798 68.868 -0.665 0.000 1.098 295 T HN 0.191 nan 8.240 nan 0.000 0.543 296 L N 2.030 123.292 121.223 0.065 0.000 2.043 296 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 296 L C 2.981 179.902 176.870 0.085 0.000 1.075 296 L CA 2.092 56.961 54.840 0.048 0.000 0.752 296 L CB -0.550 41.538 42.059 0.048 0.000 0.891 296 L HN 0.578 nan 8.230 nan 0.000 0.432 297 S N -1.490 114.325 115.700 0.192 0.000 2.419 297 S HA -0.207 4.262 4.470 -0.000 0.000 0.233 297 S C 1.493 176.178 174.600 0.143 0.000 1.016 297 S CA 0.756 59.057 58.200 0.167 0.000 0.974 297 S CB -0.685 62.645 63.200 0.216 0.000 0.786 297 S HN 0.463 nan 8.310 nan 0.000 0.492 298 W N 2.326 123.581 121.300 -0.074 0.000 2.402 298 W HA 0.278 4.938 4.660 -0.001 0.000 0.286 298 W C 2.711 178.998 176.519 -0.387 0.000 1.221 298 W CA 0.199 57.371 57.345 -0.287 0.000 1.257 298 W CB -1.246 28.090 29.460 -0.208 0.000 1.120 298 W HN 0.437 nan 8.180 nan 0.000 0.551 299 G N 0.466 109.197 108.800 -0.115 0.000 2.471 299 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 299 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 299 G C 1.653 176.366 174.900 -0.312 0.000 1.125 299 G CA 0.739 45.648 45.100 -0.318 0.000 0.775 299 G HN 0.042 nan 8.290 nan 0.000 0.548 300 K N 0.717 120.987 120.400 -0.216 0.000 2.032 300 K HA -0.065 4.254 4.320 -0.000 0.000 0.209 300 K C 2.523 179.017 176.600 -0.176 0.000 1.048 300 K CA 1.467 57.654 56.287 -0.168 0.000 0.927 300 K CB -0.937 31.498 32.500 -0.109 0.000 0.712 300 K HN 0.304 nan 8.250 nan 0.000 0.441 301 G N 0.057 108.726 108.800 -0.219 0.000 2.719 301 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.211 301 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.211 301 G C 0.416 175.177 174.900 -0.232 0.000 1.140 301 G CA -0.061 44.916 45.100 -0.205 0.000 0.790 301 G HN 0.234 nan 8.290 nan 0.000 0.529 302 Q N 1.751 121.348 119.800 -0.338 0.000 2.462 302 Q HA 0.284 4.624 4.340 -0.000 0.000 0.247 302 Q C -0.023 175.750 176.000 -0.379 0.000 1.044 302 Q CA -0.817 54.722 55.803 -0.440 0.000 0.803 302 Q CB 0.563 28.796 28.738 -0.842 0.000 1.190 302 Q HN 0.251 nan 8.270 nan 0.000 0.507 303 K N 2.563 122.806 120.400 -0.263 0.000 2.355 303 K HA 0.104 4.424 4.320 -0.000 0.000 0.270 303 K C -0.574 175.901 176.600 -0.210 0.000 1.003 303 K CA 0.011 56.173 56.287 -0.209 0.000 0.957 303 K CB 0.514 32.940 32.500 -0.123 0.000 0.939 303 K HN 0.678 nan 8.250 nan 0.000 0.482 304 D N -0.132 120.162 120.400 -0.176 0.000 3.077 304 D HA -0.187 4.453 4.640 -0.000 0.000 0.217 304 D C 0.721 176.914 176.300 -0.177 0.000 1.162 304 D CA 1.051 54.974 54.000 -0.129 0.000 0.943 304 D CB -0.911 39.843 40.800 -0.077 0.000 1.122 304 D HN 0.545 nan 8.370 nan 0.000 0.413 305 L N -0.086 120.971 121.223 -0.278 0.000 2.084 305 L HA 0.139 4.479 4.340 -0.000 0.000 0.202 305 L C 0.906 177.643 176.870 -0.223 0.000 1.074 305 L CA 1.176 55.826 54.840 -0.316 0.000 0.757 305 L CB 0.008 41.772 42.059 -0.491 0.000 0.918 305 L HN 0.103 nan 8.230 nan 0.000 0.444 306 L N 0.191 121.270 121.223 -0.239 0.000 2.418 306 L HA 0.223 4.563 4.340 -0.000 0.000 0.265 306 L C 0.220 177.116 176.870 0.042 0.000 1.143 306 L CA -0.518 54.240 54.840 -0.136 0.000 0.809 306 L CB 0.452 42.368 42.059 -0.239 0.000 1.124 306 L HN -0.017 nan 8.230 nan 0.000 0.456 307 T N 2.661 117.303 114.554 0.146 0.000 2.779 307 T HA 0.218 4.568 4.350 -0.000 0.000 0.296 307 T C -2.330 172.543 174.700 0.289 0.000 0.938 307 T CA -0.925 61.309 62.100 0.223 0.000 1.119 307 T CB 0.710 69.768 68.868 0.316 0.000 0.891 307 T HN 0.322 nan 8.240 nan 0.000 0.526 308 P HA 0.252 nan 4.420 nan 0.000 0.271 308 P C -0.614 176.639 177.300 -0.078 0.000 1.216 308 P CA -0.561 62.529 63.100 -0.016 0.000 0.771 308 P CB 0.296 31.932 31.700 -0.106 0.000 0.864 309 c N 3.640 122.116 118.600 -0.206 0.000 2.369 309 c HA 0.292 4.862 4.570 -0.000 0.000 0.358 309 c C 0.001 173.992 174.090 -0.165 0.000 1.274 309 c CA -0.152 56.120 56.329 -0.094 0.000 1.935 309 c CB -1.097 41.351 42.510 -0.103 0.000 2.431 309 c HN 0.510 nan 8.230 nan 0.000 0.545 310 Y N 3.175 123.438 120.300 -0.062 0.000 2.676 310 Y HA 0.501 5.051 4.550 -0.001 0.000 0.338 310 Y C 0.814 176.686 175.900 -0.048 0.000 1.057 310 Y CA 0.690 58.759 58.100 -0.051 0.000 1.314 310 Y CB 0.257 38.702 38.460 -0.024 0.000 1.164 310 Y HN 0.910 nan 8.280 nan 0.000 0.509 317 D N -0.423 119.935 120.400 -0.069 0.000 2.325 317 D HA 0.188 4.828 4.640 -0.000 0.000 0.262 317 D C 0.887 177.114 176.300 -0.121 0.000 1.263 317 D CA 0.626 54.580 54.000 -0.076 0.000 1.020 317 D CB 0.811 41.575 40.800 -0.061 0.000 1.117 317 D HN 0.074 nan 8.370 nan 0.000 0.545 318 S N -1.381 114.233 115.700 -0.144 0.000 2.387 318 S HA 0.099 4.568 4.470 -0.000 0.000 0.221 318 S C 0.146 174.439 174.600 -0.513 0.000 1.041 318 S CA 0.489 58.497 58.200 -0.320 0.000 0.959 318 S CB 0.143 63.171 63.200 -0.287 0.000 0.843 318 S HN 0.257 nan 8.310 nan 0.000 0.488 319 F N 0.058 119.965 119.950 -0.073 0.000 2.551 319 F HA 0.670 5.197 4.527 -0.001 0.000 0.316 319 F C 0.720 176.464 175.800 -0.094 0.000 1.089 319 F CA -0.889 57.065 58.000 -0.076 0.000 0.915 319 F CB 1.506 40.463 39.000 -0.072 0.000 1.186 319 F HN 0.130 nan 8.300 nan 0.000 0.456 320 G N 1.207 110.071 108.800 0.106 0.000 2.890 320 G HA2 0.644 4.604 3.960 -0.000 0.000 0.189 320 G HA3 0.644 4.604 3.960 -0.000 0.000 0.189 320 G C -2.820 172.017 174.900 -0.104 0.000 1.342 320 G CA -1.543 43.523 45.100 -0.056 0.000 1.026 320 G HN 0.316 nan 8.290 nan 0.000 0.579 321 P HA 0.195 nan 4.420 nan 0.000 0.271 321 P C 0.211 177.473 177.300 -0.062 0.000 1.244 321 P CA -0.353 62.591 63.100 -0.259 0.000 0.793 321 P CB 0.553 31.929 31.700 -0.540 0.000 0.984 322 I N 1.108 121.597 120.570 -0.135 0.000 2.880 322 I HA -0.110 4.060 4.170 -0.000 0.000 0.296 322 I C 1.253 177.406 176.117 0.060 0.000 1.220 322 I CA 0.457 61.678 61.300 -0.131 0.000 1.435 322 I CB -0.125 37.703 38.000 -0.287 0.000 1.339 322 I HN 0.330 nan 8.210 nan 0.000 0.583 323 N N 9.155 127.857 118.700 0.003 0.000 2.399 323 N HA 0.121 4.861 4.740 -0.000 0.000 0.259 323 N C -1.817 173.616 175.510 -0.129 0.000 1.160 323 N CA -1.836 51.206 53.050 -0.014 0.000 0.946 323 N CB 0.934 39.400 38.487 -0.034 0.000 1.156 323 N HN 0.296 nan 8.380 nan 0.000 0.489 324 P HA 0.093 nan 4.420 nan 0.000 0.261 324 P C 0.585 177.852 177.300 -0.055 0.000 1.352 324 P CA 0.323 63.427 63.100 0.007 0.000 0.891 324 P CB 0.048 31.810 31.700 0.103 0.000 1.383 325 T N -3.389 110.940 114.554 -0.376 0.000 3.037 325 T HA 0.193 4.543 4.350 -0.000 0.000 0.251 325 T C 0.776 175.350 174.700 -0.210 0.000 1.079 325 T CA 0.011 61.669 62.100 -0.736 0.000 1.067 325 T CB -0.388 67.987 68.868 -0.820 0.000 0.948 325 T HN -0.046 nan 8.240 nan 0.000 0.496 326 L N 2.118 123.299 121.223 -0.070 0.000 2.334 326 L HA 0.449 4.789 4.340 -0.000 0.000 0.277 326 L C 1.325 178.277 176.870 0.137 0.000 1.075 326 L CA -0.766 54.085 54.840 0.019 0.000 0.804 326 L CB 0.769 42.810 42.059 -0.030 0.000 1.174 326 L HN 0.061 nan 8.230 nan 0.000 0.438 327 N N 0.615 119.422 118.700 0.178 0.000 2.331 327 N HA -0.131 4.608 4.740 -0.000 0.000 0.180 327 N C 1.559 177.181 175.510 0.187 0.000 1.019 327 N CA 1.615 54.813 53.050 0.246 0.000 0.881 327 N CB 0.205 38.804 38.487 0.187 0.000 0.972 327 N HN 0.815 nan 8.380 nan 0.000 0.435 328 T N -1.661 112.956 114.554 0.106 0.000 2.833 328 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 328 T C 1.990 176.735 174.700 0.074 0.000 1.054 328 T CA 1.300 63.453 62.100 0.088 0.000 1.135 328 T CB -0.604 68.286 68.868 0.037 0.000 0.869 328 T HN 0.006 nan 8.240 nan 0.000 0.466 329 T N 1.230 115.768 114.554 -0.027 0.000 2.674 329 T HA -0.050 4.299 4.350 -0.000 0.000 0.265 329 T C 1.546 176.215 174.700 -0.051 0.000 1.039 329 T CA 1.590 63.616 62.100 -0.124 0.000 1.150 329 T CB -0.575 68.070 68.868 -0.372 0.000 0.864 329 T HN 0.532 nan 8.240 nan 0.000 0.427 330 Y N 1.097 121.508 120.300 0.186 0.000 2.293 330 Y HA -0.013 4.536 4.550 -0.001 0.000 0.291 330 Y C 2.971 178.969 175.900 0.163 0.000 1.137 330 Y CA 0.699 58.892 58.100 0.155 0.000 1.202 330 Y CB -0.830 37.684 38.460 0.091 0.000 0.990 330 Y HN 0.190 nan 8.280 nan 0.000 0.537 331 S N 0.062 115.930 115.700 0.280 0.000 2.356 331 S HA -0.248 4.221 4.470 -0.000 0.000 0.223 331 S C 2.047 176.808 174.600 0.269 0.000 1.032 331 S CA 1.335 59.678 58.200 0.239 0.000 1.005 331 S CB -0.758 62.566 63.200 0.207 0.000 0.867 331 S HN 0.452 nan 8.310 nan 0.000 0.449 332 F N 2.076 122.094 119.950 0.114 0.000 2.102 332 F HA 0.016 4.543 4.527 -0.001 0.000 0.298 332 F C 1.828 177.708 175.800 0.133 0.000 1.105 332 F CA 1.663 59.700 58.000 0.061 0.000 1.239 332 F CB -0.492 38.417 39.000 -0.152 0.000 0.991 332 F HN 0.212 nan 8.300 nan 0.000 0.474 333 L N -0.294 120.971 121.223 0.071 0.000 2.131 333 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 333 L C 2.327 179.324 176.870 0.211 0.000 1.092 333 L CA 1.569 56.456 54.840 0.079 0.000 0.759 333 L CB -1.115 41.143 42.059 0.332 0.000 0.903 333 L HN 0.206 nan 8.230 nan 0.000 0.435 334 T N -1.195 113.481 114.554 0.204 0.000 2.701 334 T HA -0.165 4.185 4.350 -0.000 0.000 0.263 334 T C 1.928 176.715 174.700 0.146 0.000 1.040 334 T CA 1.961 64.174 62.100 0.188 0.000 1.147 334 T CB -0.242 68.722 68.868 0.160 0.000 0.865 334 T HN 0.331 nan 8.240 nan 0.000 0.426 335 T N 1.827 116.467 114.554 0.143 0.000 2.746 335 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 335 T C 1.567 176.335 174.700 0.113 0.000 1.039 335 T CA 1.006 63.186 62.100 0.133 0.000 1.142 335 T CB -0.526 68.478 68.868 0.226 0.000 0.866 335 T HN 0.304 nan 8.240 nan 0.000 0.444 336 F N 1.215 121.108 119.950 -0.095 0.000 2.069 336 F HA -0.066 4.460 4.527 -0.001 0.000 0.298 336 F C 1.745 177.359 175.800 -0.310 0.000 1.113 336 F CA 1.228 59.051 58.000 -0.296 0.000 1.214 336 F CB -0.501 37.994 39.000 -0.842 0.000 0.978 336 F HN 0.074 nan 8.300 nan 0.000 0.474 337 F N 0.690 120.613 119.950 -0.044 0.000 2.293 337 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 337 F C 2.364 178.079 175.800 -0.141 0.000 1.086 337 F CA 1.450 59.373 58.000 -0.129 0.000 1.375 337 F CB -0.900 38.110 39.000 0.016 0.000 1.045 337 F HN -0.064 nan 8.300 nan 0.000 0.516 338 K N 0.705 121.141 120.400 0.059 0.000 2.057 338 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 338 K C 2.164 178.731 176.600 -0.055 0.000 1.049 338 K CA 1.714 58.007 56.287 0.010 0.000 0.931 338 K CB -0.253 32.255 32.500 0.014 0.000 0.714 338 K HN 0.286 nan 8.250 nan 0.000 0.440 339 E N 0.138 120.259 120.200 -0.132 0.000 2.085 339 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 339 E C 1.805 178.311 176.600 -0.157 0.000 0.994 339 E CA 1.280 57.584 56.400 -0.160 0.000 0.801 339 E CB 0.031 29.603 29.700 -0.214 0.000 0.743 339 E HN 0.246 nan 8.360 nan 0.000 0.453 340 I N 1.699 122.108 120.570 -0.267 0.000 2.226 340 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 340 I C 2.739 178.899 176.117 0.072 0.000 1.100 340 I CA 1.590 62.817 61.300 -0.122 0.000 1.374 340 I CB -1.663 36.174 38.000 -0.271 0.000 1.057 340 I HN 0.212 nan 8.210 nan 0.000 0.413 341 S N 0.362 116.081 115.700 0.032 0.000 2.419 341 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 341 S C 1.693 176.298 174.600 0.008 0.000 1.019 341 S CA 1.250 59.468 58.200 0.030 0.000 0.982 341 S CB -0.453 62.752 63.200 0.009 0.000 0.789 341 S HN 0.580 nan 8.310 nan 0.000 0.490 342 E N 0.353 120.546 120.200 -0.012 0.000 2.166 342 E HA 0.093 4.443 4.350 -0.000 0.000 0.192 342 E C 2.066 178.632 176.600 -0.057 0.000 0.967 342 E CA 0.671 57.052 56.400 -0.032 0.000 0.840 342 E CB -0.059 29.619 29.700 -0.038 0.000 0.795 342 E HN 0.365 nan 8.360 nan 0.000 0.470 343 V N 0.751 120.624 119.914 -0.069 0.000 2.379 343 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 343 V C 0.486 176.367 176.094 -0.355 0.000 1.044 343 V CA 1.185 63.363 62.300 -0.204 0.000 1.036 343 V CB -0.150 31.541 31.823 -0.220 0.000 0.664 343 V HN 0.087 nan 8.190 nan 0.000 0.453 344 F N 1.580 121.491 119.950 -0.064 0.000 2.361 344 F HA 0.383 4.909 4.527 -0.000 0.000 0.364 344 F C -1.138 174.566 175.800 -0.160 0.000 1.120 344 F CA -2.202 55.747 58.000 -0.084 0.000 1.102 344 F CB 1.057 40.040 39.000 -0.028 0.000 1.183 344 F HN 0.038 nan 8.300 nan 0.000 0.476 345 P HA -0.114 nan 4.420 nan 0.000 0.233 345 P C 0.075 177.261 177.300 -0.191 0.000 1.167 345 P CA 0.518 63.413 63.100 -0.340 0.000 0.770 345 P CB 0.124 31.208 31.700 -1.027 0.000 0.837 346 D N 0.060 120.417 120.400 -0.073 0.000 2.472 346 D HA -0.042 4.598 4.640 -0.000 0.000 0.237 346 D C 1.555 177.856 176.300 0.001 0.000 1.141 346 D CA 0.253 54.261 54.000 0.012 0.000 0.875 346 D CB 0.652 41.503 40.800 0.085 0.000 1.192 346 D HN -0.007 nan 8.370 nan 0.000 0.450 347 Q N 1.308 121.102 119.800 -0.010 0.000 2.226 347 Q HA -0.072 4.267 4.340 -0.000 0.000 0.204 347 Q C -0.118 175.644 176.000 -0.396 0.000 0.975 347 Q CA 0.809 56.491 55.803 -0.201 0.000 0.866 347 Q CB 0.083 28.657 28.738 -0.273 0.000 0.915 347 Q HN 0.477 nan 8.270 nan 0.000 0.440 348 F N -0.256 119.673 119.950 -0.036 0.000 2.480 348 F HA 0.465 4.992 4.527 0.000 0.000 0.329 348 F C -0.096 175.660 175.800 -0.074 0.000 1.091 348 F CA -0.925 57.036 58.000 -0.064 0.000 0.972 348 F CB 1.251 40.208 39.000 -0.072 0.000 1.150 348 F HN -0.200 nan 8.300 nan 0.000 0.467 349 I N 2.420 123.036 120.570 0.077 0.000 2.465 349 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 349 I C -0.752 175.374 176.117 0.015 0.000 1.014 349 I CA -0.769 60.548 61.300 0.028 0.000 1.093 349 I CB 1.649 39.647 38.000 -0.004 0.000 1.267 349 I HN 0.503 nan 8.210 nan 0.000 0.431 350 H N 6.907 125.931 119.070 -0.077 0.000 2.652 350 H HA 0.340 4.896 4.556 -0.001 0.000 0.298 350 H C 0.193 175.520 175.328 -0.002 0.000 1.076 350 H CA 0.008 55.974 56.048 -0.136 0.000 1.360 350 H CB 1.410 30.999 29.762 -0.289 0.000 1.421 350 H HN 0.591 nan 8.280 nan 0.000 0.464 351 L N 4.200 125.510 121.223 0.145 0.000 2.592 351 L HA 0.132 4.472 4.340 -0.000 0.000 0.227 351 L C 1.757 178.843 176.870 0.360 0.000 1.127 351 L CA 0.525 55.495 54.840 0.217 0.000 0.884 351 L CB -0.051 42.029 42.059 0.036 0.000 1.065 351 L HN 0.938 nan 8.230 nan 0.000 0.457 352 G N 0.791 109.878 108.800 0.478 0.000 2.559 352 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.282 352 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.282 352 G C 0.833 176.087 174.900 0.590 0.000 1.177 352 G CA 0.004 45.461 45.100 0.595 0.000 0.960 352 G HN 0.772 nan 8.290 nan 0.000 0.540 353 G N -0.169 108.941 108.800 0.516 0.000 2.157 353 G HA2 0.009 3.969 3.960 -0.000 0.000 0.248 353 G HA3 0.009 3.969 3.960 -0.000 0.000 0.248 353 G C 0.184 175.323 174.900 0.399 0.000 0.979 353 G CA 1.328 46.677 45.100 0.416 0.000 0.650 353 G HN 2.076 nan 8.290 nan 0.000 0.529 354 D N 0.444 121.101 120.400 0.428 0.000 2.313 354 D HA 0.373 5.013 4.640 -0.000 0.000 0.247 354 D C 0.632 176.997 176.300 0.109 0.000 1.094 354 D CA 0.081 54.221 54.000 0.232 0.000 0.925 354 D CB 0.434 41.113 40.800 -0.202 0.000 1.188 354 D HN 0.494 nan 8.370 nan 0.000 0.430 355 E N -0.961 119.278 120.200 0.066 0.000 2.328 355 E HA -0.162 4.188 4.350 -0.000 0.000 0.233 355 E C -0.483 175.962 176.600 -0.258 0.000 1.219 355 E CA 0.053 56.405 56.400 -0.081 0.000 0.717 355 E CB -1.268 28.388 29.700 -0.074 0.000 1.210 355 E HN 0.292 nan 8.360 nan 0.000 0.381 356 V N 1.264 121.016 119.914 -0.271 0.000 2.521 356 V HA 0.002 4.122 4.120 -0.000 0.000 0.286 356 V C 0.852 176.520 176.094 -0.710 0.000 1.034 356 V CA 0.549 62.586 62.300 -0.438 0.000 1.045 356 V CB 0.990 32.626 31.823 -0.311 0.000 0.974 356 V HN 0.177 nan 8.190 nan 0.000 0.480 357 E N 3.696 123.502 120.200 -0.658 0.000 2.174 357 E HA 0.314 4.663 4.350 -0.000 0.000 0.282 357 E C -0.373 175.855 176.600 -0.622 0.000 0.992 357 E CA -0.378 55.661 56.400 -0.603 0.000 0.803 357 E CB 0.936 30.392 29.700 -0.407 0.000 1.090 357 E HN 0.581 nan 8.360 nan 0.000 0.396 358 F N 1.751 121.483 119.950 -0.363 0.000 2.569 358 F HA 0.038 4.565 4.527 -0.000 0.000 0.295 358 F C 1.786 177.359 175.800 -0.377 0.000 1.115 358 F CA 0.046 57.811 58.000 -0.392 0.000 1.450 358 F CB -0.152 38.733 39.000 -0.191 0.000 1.107 358 F HN 0.267 nan 8.300 nan 0.000 0.563 359 K N 0.146 120.481 120.400 -0.109 0.000 2.089 359 K HA -0.243 4.077 4.320 -0.000 0.000 0.210 359 K C 2.379 178.928 176.600 -0.084 0.000 1.048 359 K CA 1.468 57.700 56.287 -0.092 0.000 0.926 359 K CB -1.486 30.969 32.500 -0.075 0.000 0.714 359 K HN 0.355 nan 8.250 nan 0.000 0.448 360 c N 0.018 118.557 118.600 -0.103 0.000 2.429 360 c HA -0.112 4.457 4.570 -0.000 0.000 0.277 360 c C 2.451 176.600 174.090 0.099 0.000 1.262 360 c CA 0.248 56.562 56.329 -0.025 0.000 1.733 360 c CB -1.081 41.383 42.510 -0.077 0.000 2.010 360 c HN 0.528 nan 8.230 nan 0.000 0.483 361 W N 0.871 122.087 121.300 -0.140 0.000 2.358 361 W HA -0.031 4.628 4.660 -0.000 0.000 0.303 361 W C 2.510 178.840 176.519 -0.315 0.000 1.208 361 W CA 1.301 58.532 57.345 -0.189 0.000 1.274 361 W CB -1.447 27.870 29.460 -0.238 0.000 1.138 361 W HN 0.493 nan 8.180 nan 0.000 0.515 362 E N 0.382 120.371 120.200 -0.353 0.000 2.118 362 E HA -0.204 4.145 4.350 -0.000 0.000 0.195 362 E C 2.076 178.686 176.600 0.015 0.000 0.992 362 E CA 2.111 58.364 56.400 -0.246 0.000 0.804 362 E CB -0.194 29.376 29.700 -0.217 0.000 0.741 362 E HN 0.173 nan 8.360 nan 0.000 0.458 363 S N -0.002 115.709 115.700 0.019 0.000 2.562 363 S HA -0.009 4.460 4.470 -0.000 0.000 0.221 363 S C 0.709 175.310 174.600 0.003 0.000 0.975 363 S CA -0.274 57.947 58.200 0.035 0.000 0.918 363 S CB -0.052 63.193 63.200 0.075 0.000 0.772 363 S HN 0.104 nan 8.310 nan 0.000 0.531 364 N N 2.355 121.092 118.700 0.063 0.000 2.414 364 N HA 0.280 5.020 4.740 -0.000 0.000 0.256 364 N C -2.247 173.240 175.510 -0.039 0.000 1.029 364 N CA -1.837 51.242 53.050 0.049 0.000 0.948 364 N CB 1.793 40.403 38.487 0.204 0.000 1.102 364 N HN -0.000 nan 8.380 nan 0.000 0.496 365 P HA -0.076 nan 4.420 nan 0.000 0.215 365 P C 0.953 178.246 177.300 -0.011 0.000 1.153 365 P CA 1.200 64.232 63.100 -0.113 0.000 0.853 365 P CB 0.484 32.073 31.700 -0.186 0.000 0.788 366 K N -0.432 119.981 120.400 0.023 0.000 2.097 366 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 366 K C 1.998 178.643 176.600 0.075 0.000 1.049 366 K CA 1.114 57.432 56.287 0.053 0.000 0.933 366 K CB -1.115 31.424 32.500 0.064 0.000 0.717 366 K HN 0.130 nan 8.250 nan 0.000 0.442 367 I N 0.317 120.935 120.570 0.079 0.000 2.252 367 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 367 I C 2.132 178.350 176.117 0.169 0.000 1.102 367 I CA 1.125 62.485 61.300 0.100 0.000 1.385 367 I CB -0.224 37.823 38.000 0.078 0.000 1.064 367 I HN 0.232 nan 8.210 nan 0.000 0.414 368 Q N 0.645 120.533 119.800 0.146 0.000 2.112 368 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 368 Q C 1.794 177.822 176.000 0.047 0.000 0.987 368 Q CA 1.874 57.747 55.803 0.116 0.000 0.858 368 Q CB -0.147 28.638 28.738 0.078 0.000 0.905 368 Q HN 0.471 nan 8.270 nan 0.000 0.420 369 D N -0.026 120.400 120.400 0.044 0.000 2.097 369 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 369 D C 1.487 177.785 176.300 -0.004 0.000 0.989 369 D CA 0.863 54.869 54.000 0.010 0.000 0.827 369 D CB -0.346 40.467 40.800 0.023 0.000 0.966 369 D HN 0.157 nan 8.370 nan 0.000 0.456 370 F N 0.969 120.859 119.950 -0.099 0.000 2.171 370 F HA -0.192 4.335 4.527 -0.001 0.000 0.300 370 F C 2.233 177.885 175.800 -0.248 0.000 1.090 370 F CA 1.106 59.009 58.000 -0.161 0.000 1.293 370 F CB -0.054 38.866 39.000 -0.134 0.000 1.013 370 F HN -0.176 nan 8.300 nan 0.000 0.486 371 M N 0.807 120.370 119.600 -0.061 0.000 2.080 371 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 371 M C 2.328 178.419 176.300 -0.349 0.000 1.068 371 M CA 2.147 57.331 55.300 -0.192 0.000 1.109 371 M CB -1.247 31.285 32.600 -0.113 0.000 1.342 371 M HN 0.296 nan 8.290 nan 0.000 0.405 372 R N -0.052 120.297 120.500 -0.252 0.000 2.148 372 R HA -0.073 4.267 4.340 -0.000 0.000 0.223 372 R C 1.804 177.909 176.300 -0.325 0.000 1.088 372 R CA 1.002 56.956 56.100 -0.244 0.000 0.985 372 R CB -0.644 29.567 30.300 -0.150 0.000 0.880 372 R HN 0.427 nan 8.270 nan 0.000 0.451 373 Q N 0.732 120.292 119.800 -0.400 0.000 2.234 373 Q HA -0.056 4.284 4.340 -0.000 0.000 0.206 373 Q C 0.729 176.402 176.000 -0.545 0.000 0.980 373 Q CA 1.377 56.917 55.803 -0.439 0.000 0.869 373 Q CB 0.170 28.622 28.738 -0.477 0.000 0.912 373 Q HN 0.333 nan 8.270 nan 0.000 0.436 374 K N -1.229 118.701 120.400 -0.783 0.000 2.826 374 K HA 0.168 4.487 4.320 -0.000 0.000 0.206 374 K C -0.037 176.124 176.600 -0.731 0.000 1.116 374 K CA 0.323 56.134 56.287 -0.794 0.000 1.045 374 K CB 1.493 33.393 32.500 -0.999 0.000 0.758 374 K HN 0.244 nan 8.250 nan 0.000 0.465 375 G N 1.419 109.929 108.800 -0.484 0.000 2.249 375 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.273 375 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.273 375 G C 0.357 175.218 174.900 -0.066 0.000 1.036 375 G CA -0.023 44.933 45.100 -0.240 0.000 0.824 375 G HN 0.309 nan 8.290 nan 0.000 0.504 376 F N 0.650 120.463 119.950 -0.228 0.000 2.748 376 F HA 0.324 4.851 4.527 -0.000 0.000 0.299 376 F C 2.294 177.942 175.800 -0.253 0.000 1.154 376 F CA 0.604 58.463 58.000 -0.235 0.000 1.446 376 F CB -0.767 38.066 39.000 -0.279 0.000 1.112 376 F HN 0.828 nan 8.300 nan 0.000 0.584 377 G N 0.984 109.742 108.800 -0.070 0.000 2.565 377 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.295 377 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.295 377 G C 0.890 175.674 174.900 -0.193 0.000 1.165 377 G CA 0.920 45.955 45.100 -0.109 0.000 0.977 377 G HN 0.478 nan 8.290 nan 0.000 0.546 378 T N -2.251 112.194 114.554 -0.182 0.000 3.215 378 T HA 0.451 4.801 4.350 -0.000 0.000 0.271 378 T C 0.060 174.589 174.700 -0.285 0.000 1.012 378 T CA 1.003 62.966 62.100 -0.229 0.000 0.899 378 T CB 0.641 69.490 68.868 -0.032 0.000 1.089 378 T HN 0.542 nan 8.240 nan 0.000 0.552 379 D N 0.824 121.029 120.400 -0.325 0.000 2.479 379 D HA 0.308 4.948 4.640 -0.000 0.000 0.218 379 D C 0.099 176.156 176.300 -0.406 0.000 1.131 379 D CA -1.343 52.510 54.000 -0.246 0.000 0.916 379 D CB -0.185 40.524 40.800 -0.153 0.000 1.022 379 D HN 0.198 nan 8.370 nan 0.000 0.515 380 F N 1.818 121.573 119.950 -0.325 0.000 2.604 380 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 380 F C 2.163 177.557 175.800 -0.677 0.000 1.131 380 F CA 0.528 58.184 58.000 -0.573 0.000 1.457 380 F CB 0.039 38.533 39.000 -0.842 0.000 1.095 380 F HN 0.256 nan 8.300 nan 0.000 0.574 381 K N 0.408 120.617 120.400 -0.318 0.000 2.147 381 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 381 K C 1.909 178.476 176.600 -0.056 0.000 1.049 381 K CA 1.192 57.477 56.287 -0.004 0.000 0.936 381 K CB -0.137 32.411 32.500 0.081 0.000 0.722 381 K HN 0.232 nan 8.250 nan 0.000 0.446 382 K N 0.500 120.748 120.400 -0.254 0.000 2.148 382 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 382 K C 2.001 178.270 176.600 -0.553 0.000 1.050 382 K CA 0.746 56.716 56.287 -0.529 0.000 0.942 382 K CB -0.054 31.882 32.500 -0.940 0.000 0.724 382 K HN 0.012 nan 8.250 nan 0.000 0.446 383 L N 1.674 122.727 121.223 -0.283 0.000 2.072 383 L HA -0.117 4.222 4.340 -0.000 0.000 0.205 383 L C 2.232 179.256 176.870 0.257 0.000 1.079 383 L CA 1.697 56.559 54.840 0.036 0.000 0.752 383 L CB -0.295 41.778 42.059 0.022 0.000 0.906 383 L HN 0.156 nan 8.230 nan 0.000 0.436 384 E N -1.092 119.342 120.200 0.390 0.000 2.077 384 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 384 E C 2.050 178.906 176.600 0.426 0.000 0.989 384 E CA 1.412 58.167 56.400 0.590 0.000 0.800 384 E CB 0.001 30.096 29.700 0.659 0.000 0.746 384 E HN 0.547 nan 8.360 nan 0.000 0.452 385 S N 0.311 116.162 115.700 0.251 0.000 2.356 385 S HA -0.160 4.309 4.470 -0.000 0.000 0.223 385 S C 1.522 176.235 174.600 0.188 0.000 1.032 385 S CA 1.210 59.508 58.200 0.165 0.000 1.005 385 S CB -0.509 62.720 63.200 0.048 0.000 0.867 385 S HN 0.409 nan 8.310 nan 0.000 0.449 386 F N 1.408 121.399 119.950 0.068 0.000 2.095 386 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 386 F C 2.127 178.048 175.800 0.201 0.000 1.104 386 F CA 1.648 59.734 58.000 0.143 0.000 1.232 386 F CB -0.672 38.487 39.000 0.266 0.000 0.987 386 F HN 0.273 nan 8.300 nan 0.000 0.475 387 Y N 0.237 120.680 120.300 0.237 0.000 2.114 387 Y HA -0.216 4.333 4.550 -0.001 0.000 0.284 387 Y C 2.254 178.240 175.900 0.144 0.000 1.143 387 Y CA 2.038 60.275 58.100 0.229 0.000 1.135 387 Y CB -0.804 37.867 38.460 0.351 0.000 0.980 387 Y HN 0.143 nan 8.280 nan 0.000 0.499 388 I N 0.872 121.535 120.570 0.154 0.000 2.361 388 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 388 I C 2.231 178.289 176.117 -0.097 0.000 1.133 388 I CA 1.542 62.858 61.300 0.027 0.000 1.413 388 I CB -0.590 37.533 38.000 0.206 0.000 1.073 388 I HN 0.388 nan 8.210 nan 0.000 0.424 389 Q N -0.132 119.613 119.800 -0.092 0.000 2.124 389 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 389 Q C 2.152 178.023 176.000 -0.214 0.000 0.977 389 Q CA 1.467 57.195 55.803 -0.126 0.000 0.850 389 Q CB -0.142 28.538 28.738 -0.095 0.000 0.901 389 Q HN 0.456 nan 8.270 nan 0.000 0.429 390 K N -0.078 120.114 120.400 -0.348 0.000 2.148 390 K HA -0.095 4.224 4.320 -0.000 0.000 0.204 390 K C 2.036 178.493 176.600 -0.239 0.000 1.050 390 K CA 1.117 57.170 56.287 -0.391 0.000 0.942 390 K CB 0.039 32.106 32.500 -0.722 0.000 0.724 390 K HN 0.080 nan 8.250 nan 0.000 0.446 391 V N 1.860 121.620 119.914 -0.257 0.000 2.323 391 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 391 V C 2.280 178.258 176.094 -0.194 0.000 1.041 391 V CA 1.306 63.487 62.300 -0.198 0.000 1.025 391 V CB -0.415 31.262 31.823 -0.244 0.000 0.656 391 V HN 0.224 nan 8.190 nan 0.000 0.451 392 L N 0.020 121.141 121.223 -0.170 0.000 2.043 392 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 392 L C 2.392 179.190 176.870 -0.119 0.000 1.075 392 L CA 1.706 56.464 54.840 -0.138 0.000 0.752 392 L CB -0.767 41.235 42.059 -0.096 0.000 0.891 392 L HN 0.352 nan 8.230 nan 0.000 0.432 393 D N 0.068 120.400 120.400 -0.115 0.000 2.117 393 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 393 D C 2.274 178.528 176.300 -0.078 0.000 0.987 393 D CA 1.254 55.200 54.000 -0.091 0.000 0.829 393 D CB -0.098 40.641 40.800 -0.102 0.000 0.961 393 D HN 0.329 nan 8.370 nan 0.000 0.460 394 I N 0.839 121.362 120.570 -0.079 0.000 2.226 394 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 394 I C 2.125 178.204 176.117 -0.064 0.000 1.100 394 I CA 0.533 61.811 61.300 -0.037 0.000 1.374 394 I CB -0.046 37.970 38.000 0.026 0.000 1.057 394 I HN -0.016 nan 8.210 nan 0.000 0.413 395 I N 0.990 121.478 120.570 -0.136 0.000 2.179 395 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 395 I C 2.858 178.911 176.117 -0.106 0.000 1.088 395 I CA 1.681 62.889 61.300 -0.155 0.000 1.357 395 I CB -1.783 36.082 38.000 -0.225 0.000 1.051 395 I HN 0.168 nan 8.210 nan 0.000 0.409 396 A N 0.500 123.264 122.820 -0.092 0.000 1.908 396 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 396 A C 2.417 179.969 177.584 -0.054 0.000 1.181 396 A CA 2.429 54.423 52.037 -0.071 0.000 0.627 396 A CB -1.161 17.806 19.000 -0.055 0.000 0.818 396 A HN 0.436 nan 8.150 nan 0.000 0.445 397 T N 0.879 115.406 114.554 -0.044 0.000 2.833 397 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 397 T C 1.528 176.214 174.700 -0.024 0.000 1.054 397 T CA 1.453 63.536 62.100 -0.027 0.000 1.135 397 T CB -0.529 68.328 68.868 -0.017 0.000 0.869 397 T HN 0.733 nan 8.240 nan 0.000 0.466 398 I N -1.195 119.357 120.570 -0.029 0.000 3.806 398 I HA 0.245 4.415 4.170 -0.000 0.000 0.321 398 I C -0.424 175.667 176.117 -0.043 0.000 1.315 398 I CA -0.218 61.067 61.300 -0.025 0.000 1.148 398 I CB -0.495 37.499 38.000 -0.009 0.000 1.028 398 I HN 0.019 nan 8.210 nan 0.000 0.415 399 N N 2.178 120.844 118.700 -0.056 0.000 2.740 399 N HA -0.134 4.605 4.740 -0.000 0.000 0.248 399 N C -0.533 174.911 175.510 -0.109 0.000 1.062 399 N CA 0.970 53.977 53.050 -0.072 0.000 0.704 399 N CB -0.772 37.685 38.487 -0.051 0.000 0.968 399 N HN 0.579 nan 8.380 nan 0.000 0.547 400 K N -0.030 120.289 120.400 -0.136 0.000 2.295 400 K HA 0.699 5.019 4.320 -0.000 0.000 0.239 400 K C 0.851 177.290 176.600 -0.269 0.000 0.991 400 K CA -0.495 55.667 56.287 -0.207 0.000 0.845 400 K CB 1.643 34.050 32.500 -0.155 0.000 1.197 400 K HN 0.140 nan 8.250 nan 0.000 0.441 401 G N 0.053 108.567 108.800 -0.477 0.000 2.462 401 G HA2 0.449 4.409 3.960 -0.000 0.000 0.319 401 G HA3 0.449 4.409 3.960 -0.000 0.000 0.319 401 G C -0.775 174.048 174.900 -0.128 0.000 1.171 401 G CA -0.257 44.567 45.100 -0.459 0.000 0.920 401 G HN 0.334 nan 8.290 nan 0.000 0.499 402 S N -0.645 115.088 115.700 0.054 0.000 2.532 402 S HA 0.643 5.113 4.470 -0.000 0.000 0.301 402 S C -0.392 174.213 174.600 0.007 0.000 1.083 402 S CA -0.382 57.826 58.200 0.013 0.000 1.025 402 S CB 1.269 64.419 63.200 -0.082 0.000 1.056 402 S HN 0.441 nan 8.310 nan 0.000 0.494 403 I N 1.949 122.399 120.570 -0.200 0.000 2.646 403 I HA 0.658 4.828 4.170 -0.000 0.000 0.299 403 I C -0.954 174.733 176.117 -0.717 0.000 1.036 403 I CA -0.921 60.069 61.300 -0.517 0.000 1.074 403 I CB 2.009 39.562 38.000 -0.745 0.000 1.258 403 I HN 0.243 nan 8.210 nan 0.000 0.430 404 V N 4.037 123.570 119.914 -0.634 0.000 2.888 404 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 404 V C -1.127 174.863 176.094 -0.175 0.000 1.114 404 V CA -0.539 61.558 62.300 -0.338 0.000 0.940 404 V CB 2.537 34.280 31.823 -0.134 0.000 1.021 404 V HN 0.645 nan 8.190 nan 0.000 0.426 405 W N 3.009 124.467 121.300 0.263 0.000 2.137 405 W HA 0.198 4.857 4.660 -0.001 0.000 0.344 405 W C 1.755 178.451 176.519 0.295 0.000 1.286 405 W CA 0.196 57.753 57.345 0.354 0.000 1.240 405 W CB 0.506 30.188 29.460 0.369 0.000 1.141 405 W HN 0.771 nan 8.180 nan 0.000 0.579 406 Q N 0.064 120.240 119.800 0.625 0.000 2.234 406 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 406 Q C 1.184 177.396 176.000 0.353 0.000 0.980 406 Q CA 1.966 57.992 55.803 0.373 0.000 0.869 406 Q CB -0.248 28.640 28.738 0.251 0.000 0.912 406 Q HN 0.602 nan 8.270 nan 0.000 0.436 407 E N 0.986 121.416 120.200 0.384 0.000 2.130 407 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 407 E C 2.043 178.794 176.600 0.252 0.000 0.998 407 E CA 1.619 58.190 56.400 0.286 0.000 0.806 407 E CB -0.177 29.697 29.700 0.290 0.000 0.738 407 E HN 0.215 nan 8.360 nan 0.000 0.459 408 V N 0.480 120.559 119.914 0.275 0.000 2.332 408 V HA -0.260 3.859 4.120 -0.000 0.000 0.248 408 V C 1.923 178.116 176.094 0.166 0.000 1.055 408 V CA 1.934 64.362 62.300 0.213 0.000 1.038 408 V CB -0.464 31.472 31.823 0.189 0.000 0.651 408 V HN 0.279 nan 8.190 nan 0.000 0.450 409 F N 1.362 121.333 119.950 0.035 0.000 2.128 409 F HA -0.126 4.401 4.527 -0.000 0.000 0.295 409 F C 2.211 178.036 175.800 0.041 0.000 1.100 409 F CA 1.850 59.843 58.000 -0.011 0.000 1.260 409 F CB -0.327 38.645 39.000 -0.047 0.000 1.009 409 F HN 0.204 nan 8.300 nan 0.000 0.476 410 D N 0.141 120.611 120.400 0.116 0.000 2.178 410 D HA -0.150 4.489 4.640 -0.000 0.000 0.201 410 D C 1.178 177.461 176.300 -0.028 0.000 0.980 410 D CA 1.323 55.334 54.000 0.018 0.000 0.842 410 D CB -0.501 40.368 40.800 0.115 0.000 0.948 410 D HN 0.368 nan 8.370 nan 0.000 0.472 411 D N 0.457 120.879 120.400 0.036 0.000 2.325 411 D HA 0.033 4.672 4.640 -0.000 0.000 0.234 411 D C 0.192 176.493 176.300 0.002 0.000 1.122 411 D CA 0.038 54.075 54.000 0.062 0.000 0.850 411 D CB 0.018 40.920 40.800 0.171 0.000 0.921 411 D HN 0.206 nan 8.370 nan 0.000 0.513 412 K N -0.824 119.520 120.400 -0.093 0.000 3.167 412 K HA -0.158 4.162 4.320 -0.000 0.000 0.272 412 K C -0.031 176.536 176.600 -0.056 0.000 1.137 412 K CA 0.415 56.633 56.287 -0.115 0.000 0.800 412 K CB -1.916 30.534 32.500 -0.084 0.000 1.253 412 K HN 0.247 nan 8.250 nan 0.000 0.497 413 A N 1.501 124.305 122.820 -0.027 0.000 2.371 413 A HA 0.264 4.584 4.320 -0.000 0.000 0.257 413 A C 0.188 177.776 177.584 0.007 0.000 1.089 413 A CA -0.160 51.884 52.037 0.012 0.000 0.794 413 A CB 0.353 19.380 19.000 0.046 0.000 1.029 413 A HN 0.255 nan 8.150 nan 0.000 0.488 414 K N 2.086 122.503 120.400 0.028 0.000 2.284 414 K HA 0.397 4.716 4.320 -0.000 0.000 0.287 414 K C -1.086 175.549 176.600 0.058 0.000 1.081 414 K CA 0.277 56.599 56.287 0.059 0.000 0.910 414 K CB 0.447 32.981 32.500 0.056 0.000 1.088 414 K HN 0.551 nan 8.250 nan 0.000 0.478 415 L N 2.598 123.876 121.223 0.092 0.000 2.317 415 L HA 0.449 4.788 4.340 -0.000 0.000 0.281 415 L C 0.414 177.418 176.870 0.224 0.000 1.024 415 L CA -0.959 53.911 54.840 0.050 0.000 0.810 415 L CB 1.624 43.533 42.059 -0.249 0.000 1.240 415 L HN 0.622 nan 8.230 nan 0.000 0.427 416 A N 4.337 127.248 122.820 0.152 0.000 2.386 416 A HA 0.504 4.824 4.320 -0.000 0.000 0.248 416 A C -2.288 175.464 177.584 0.281 0.000 1.082 416 A CA -1.078 51.060 52.037 0.168 0.000 0.789 416 A CB -0.440 18.608 19.000 0.082 0.000 1.025 416 A HN 0.457 nan 8.150 nan 0.000 0.490 417 P HA 0.267 nan 4.420 nan 0.000 0.266 417 P C 1.031 178.436 177.300 0.175 0.000 1.195 417 P CA 1.775 64.977 63.100 0.169 0.000 0.768 417 P CB 0.622 32.355 31.700 0.056 0.000 0.838 418 G N 1.334 110.258 108.800 0.206 0.000 2.234 418 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.235 418 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.235 418 G C 0.308 175.338 174.900 0.216 0.000 0.997 418 G CA 0.045 45.257 45.100 0.187 0.000 0.623 418 G HN 0.613 nan 8.290 nan 0.000 0.514 419 T N 2.190 116.873 114.554 0.215 0.000 2.829 419 T HA 0.448 4.798 4.350 -0.000 0.000 0.293 419 T C 0.887 175.595 174.700 0.013 0.000 0.970 419 T CA 0.364 62.511 62.100 0.078 0.000 1.168 419 T CB 0.760 69.599 68.868 -0.049 0.000 0.911 419 T HN 0.361 nan 8.240 nan 0.000 0.535 420 I N 3.393 123.916 120.570 -0.080 0.000 2.428 420 I HA 0.299 4.468 4.170 -0.000 0.000 0.289 420 I C 0.035 175.988 176.117 -0.272 0.000 1.019 420 I CA -0.747 60.431 61.300 -0.203 0.000 1.351 420 I CB 1.157 38.936 38.000 -0.368 0.000 1.412 420 I HN 0.245 nan 8.210 nan 0.000 0.513 421 V N 5.554 125.312 119.914 -0.260 0.000 2.417 421 V HA 0.254 4.373 4.120 -0.000 0.000 0.291 421 V C -0.042 175.933 176.094 -0.199 0.000 1.024 421 V CA -0.653 61.506 62.300 -0.235 0.000 0.861 421 V CB 1.568 33.223 31.823 -0.280 0.000 0.985 421 V HN 0.710 nan 8.190 nan 0.000 0.436 422 E N 3.602 123.741 120.200 -0.102 0.000 2.081 422 E HA 0.433 4.783 4.350 -0.000 0.000 0.276 422 E C -1.146 175.648 176.600 0.322 0.000 0.950 422 E CA -0.470 55.955 56.400 0.042 0.000 0.776 422 E CB 1.569 31.265 29.700 -0.007 0.000 1.094 422 E HN 0.520 nan 8.360 nan 0.000 0.402 423 V N 7.689 127.712 119.914 0.182 0.000 2.372 423 V HA 0.069 4.189 4.120 -0.000 0.000 0.261 423 V C 0.572 176.816 176.094 0.249 0.000 1.055 423 V CA -0.177 62.220 62.300 0.161 0.000 0.930 423 V CB 0.083 31.904 31.823 -0.003 0.000 1.031 423 V HN 0.822 nan 8.190 nan 0.000 0.479 424 W N 3.918 125.304 121.300 0.143 0.000 2.865 424 W HA 0.347 5.007 4.660 -0.000 0.000 0.300 424 W C 0.116 176.500 176.519 -0.224 0.000 1.096 424 W CA -0.678 56.687 57.345 0.034 0.000 1.524 424 W CB 0.252 29.817 29.460 0.174 0.000 0.991 424 W HN 0.309 nan 8.180 nan 0.000 0.571 425 K N 2.581 122.434 120.400 -0.912 0.000 2.339 425 K HA 0.009 4.328 4.320 -0.000 0.000 0.286 425 K C 0.289 176.643 176.600 -0.410 0.000 1.050 425 K CA 0.032 55.749 56.287 -0.951 0.000 0.956 425 K CB 1.472 33.422 32.500 -0.916 0.000 0.990 425 K HN -0.271 nan 8.250 nan 0.000 0.475 426 D N 1.016 121.221 120.400 -0.325 0.000 2.312 426 D HA -0.093 4.546 4.640 -0.000 0.000 0.211 426 D C 0.316 176.612 176.300 -0.005 0.000 0.964 426 D CA 0.729 54.678 54.000 -0.085 0.000 0.877 426 D CB 0.279 41.025 40.800 -0.091 0.000 0.924 426 D HN 0.340 nan 8.370 nan 0.000 0.515 427 S N -0.300 115.336 115.700 -0.107 0.000 2.429 427 S HA 0.368 4.837 4.470 -0.000 0.000 0.292 427 S C 0.498 175.052 174.600 -0.077 0.000 1.183 427 S CA 0.225 58.371 58.200 -0.090 0.000 1.088 427 S CB -0.346 62.785 63.200 -0.115 0.000 1.018 427 S HN 0.393 nan 8.310 nan 0.000 0.511 428 A N 4.250 127.016 122.820 -0.091 0.000 2.745 428 A HA -0.230 4.090 4.320 -0.000 0.000 0.296 428 A C 0.624 178.145 177.584 -0.104 0.000 1.500 428 A CA 1.432 53.398 52.037 -0.118 0.000 0.766 428 A CB -2.846 16.109 19.000 -0.074 0.000 1.030 428 A HN 1.704 nan 8.150 nan 0.000 0.489 429 Y N -1.884 118.354 120.300 -0.105 0.000 2.224 429 Y HA 0.033 4.583 4.550 -0.000 0.000 0.289 429 Y C -0.418 175.418 175.900 -0.106 0.000 1.146 429 Y CA 1.254 59.282 58.100 -0.120 0.000 1.182 429 Y CB -1.842 36.532 38.460 -0.143 0.000 0.983 429 Y HN 0.400 nan 8.280 nan 0.000 0.524 430 P HA -0.137 nan 4.420 nan 0.000 0.215 430 P C 1.344 178.620 177.300 -0.040 0.000 1.153 430 P CA 2.107 65.123 63.100 -0.140 0.000 0.853 430 P CB 0.010 31.595 31.700 -0.191 0.000 0.788 431 E N -0.294 119.876 120.200 -0.049 0.000 2.106 431 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 431 E C 1.912 178.517 176.600 0.010 0.000 0.984 431 E CA 0.902 57.304 56.400 0.004 0.000 0.806 431 E CB -0.639 29.059 29.700 -0.003 0.000 0.750 431 E HN 0.334 nan 8.360 nan 0.000 0.458 432 E N 0.969 121.163 120.200 -0.010 0.000 2.077 432 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 432 E C 2.393 178.937 176.600 -0.093 0.000 0.989 432 E CA 0.476 56.873 56.400 -0.005 0.000 0.800 432 E CB -0.238 29.462 29.700 -0.001 0.000 0.746 432 E HN 0.279 nan 8.360 nan 0.000 0.452 433 L N 0.682 121.789 121.223 -0.193 0.000 2.079 433 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 433 L C 2.498 179.126 176.870 -0.404 0.000 1.081 433 L CA 1.146 55.701 54.840 -0.476 0.000 0.752 433 L CB -0.408 41.066 42.059 -0.974 0.000 0.896 433 L HN 0.024 nan 8.230 nan 0.000 0.433 434 S N -0.506 115.132 115.700 -0.104 0.000 2.356 434 S HA -0.147 4.322 4.470 -0.000 0.000 0.223 434 S C 2.046 176.716 174.600 0.117 0.000 1.032 434 S CA 1.043 59.349 58.200 0.176 0.000 1.005 434 S CB -0.242 63.093 63.200 0.225 0.000 0.867 434 S HN 0.350 nan 8.310 nan 0.000 0.449 435 R N 0.525 121.084 120.500 0.097 0.000 2.083 435 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 435 R C 2.302 178.696 176.300 0.157 0.000 1.137 435 R CA 1.396 57.608 56.100 0.186 0.000 0.951 435 R CB -0.766 29.710 30.300 0.294 0.000 0.851 435 R HN 0.249 nan 8.270 nan 0.000 0.434 436 V N 0.806 120.632 119.914 -0.146 0.000 2.287 436 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 436 V C 2.590 178.645 176.094 -0.065 0.000 1.053 436 V CA 2.413 64.442 62.300 -0.452 0.000 1.027 436 V CB -0.815 30.678 31.823 -0.549 0.000 0.646 436 V HN 0.605 nan 8.190 nan 0.000 0.447 437 T N -1.278 113.271 114.554 -0.009 0.000 2.857 437 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 437 T C 1.912 176.660 174.700 0.080 0.000 1.048 437 T CA 1.238 63.380 62.100 0.071 0.000 1.139 437 T CB -0.423 68.550 68.868 0.176 0.000 0.874 437 T HN 0.448 nan 8.240 nan 0.000 0.455 438 A N 1.609 124.493 122.820 0.107 0.000 1.972 438 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 438 A C 2.520 180.148 177.584 0.074 0.000 1.169 438 A CA 1.605 53.700 52.037 0.097 0.000 0.635 438 A CB -0.912 18.159 19.000 0.118 0.000 0.810 438 A HN 0.520 nan 8.150 nan 0.000 0.446 439 S N -1.527 114.244 115.700 0.120 0.000 2.607 439 S HA 0.319 4.789 4.470 -0.000 0.000 0.224 439 S C 1.412 175.842 174.600 -0.283 0.000 0.969 439 S CA 0.872 59.121 58.200 0.083 0.000 0.927 439 S CB -0.128 63.357 63.200 0.474 0.000 0.772 439 S HN 1.591 nan 8.310 nan 0.000 0.533 440 G N 0.772 109.435 108.800 -0.229 0.000 2.141 440 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 440 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 440 G C -0.117 174.547 174.900 -0.393 0.000 0.982 440 G CA -0.379 44.532 45.100 -0.314 0.000 0.662 440 G HN 0.416 nan 8.290 nan 0.000 0.527 441 F N 1.489 121.434 119.950 -0.007 0.000 2.404 441 F HA 0.555 5.082 4.527 -0.001 0.000 0.339 441 F C -1.604 174.149 175.800 -0.078 0.000 1.105 441 F CA -2.803 55.169 58.000 -0.047 0.000 1.087 441 F CB 1.252 40.196 39.000 -0.095 0.000 1.143 441 F HN -0.178 nan 8.300 nan 0.000 0.491 442 P HA 0.115 nan 4.420 nan 0.000 0.268 442 P C -0.818 176.419 177.300 -0.104 0.000 1.205 442 P CA 0.013 63.111 63.100 -0.003 0.000 0.771 442 P CB 1.211 32.895 31.700 -0.027 0.000 0.858 443 V N 4.548 124.344 119.914 -0.196 0.000 2.876 443 V HA 0.547 4.667 4.120 -0.000 0.000 0.312 443 V C -0.793 174.972 176.094 -0.548 0.000 1.085 443 V CA -0.998 61.111 62.300 -0.319 0.000 0.945 443 V CB 1.762 33.425 31.823 -0.267 0.000 1.017 443 V HN 0.314 nan 8.190 nan 0.000 0.428 444 I N 5.758 126.024 120.570 -0.507 0.000 2.465 444 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 444 I C -1.063 174.852 176.117 -0.336 0.000 1.014 444 I CA -0.771 60.194 61.300 -0.559 0.000 1.093 444 I CB 1.921 39.604 38.000 -0.529 0.000 1.267 444 I HN 0.459 nan 8.210 nan 0.000 0.431 445 L N 6.054 127.111 121.223 -0.277 0.000 2.282 445 L HA 0.423 4.763 4.340 -0.000 0.000 0.288 445 L C 0.707 177.694 176.870 0.195 0.000 1.033 445 L CA 0.588 55.416 54.840 -0.020 0.000 0.807 445 L CB 1.469 43.581 42.059 0.087 0.000 1.209 445 L HN 0.708 nan 8.230 nan 0.000 0.423 446 S N 2.632 118.466 115.700 0.223 0.000 2.649 446 S HA 0.236 4.706 4.470 -0.000 0.000 0.246 446 S C 1.595 176.350 174.600 0.258 0.000 1.057 446 S CA 0.193 58.647 58.200 0.424 0.000 1.051 446 S CB 0.009 63.592 63.200 0.638 0.000 1.018 446 S HN 0.701 nan 8.310 nan 0.000 0.569 447 A N 3.671 126.429 122.820 -0.104 0.000 1.896 447 A HA -0.028 4.291 4.320 -0.000 0.000 0.220 447 A C -0.084 177.277 177.584 -0.371 0.000 1.206 447 A CA 2.144 53.970 52.037 -0.352 0.000 0.647 447 A CB -1.907 16.755 19.000 -0.564 0.000 0.828 447 A HN 0.617 nan 8.150 nan 0.000 0.455 448 P HA 0.021 nan 4.420 nan 0.000 0.253 448 P C -0.445 176.820 177.300 -0.058 0.000 1.260 448 P CA 0.323 63.210 63.100 -0.354 0.000 0.800 448 P CB 0.020 31.378 31.700 -0.569 0.000 1.162 449 W N -0.399 120.988 121.300 0.144 0.000 1.710 449 W HA 0.287 4.945 4.660 -0.002 0.000 0.326 449 W C -0.621 175.962 176.519 0.107 0.000 0.801 449 W CA -0.890 56.450 57.345 -0.008 0.000 2.715 449 W CB -0.542 28.915 29.460 -0.005 0.000 1.934 449 W HN -0.108 nan 8.180 nan 0.000 0.609 450 Y N 1.686 122.083 120.300 0.161 0.000 2.650 450 Y HA 0.159 4.709 4.550 -0.001 0.000 0.343 450 Y C 1.498 177.467 175.900 0.116 0.000 1.078 450 Y CA -0.278 57.926 58.100 0.175 0.000 1.356 450 Y CB 0.123 38.728 38.460 0.242 0.000 1.204 450 Y HN -0.041 nan 8.280 nan 0.000 0.508 451 L N 1.678 122.908 121.223 0.012 0.000 2.376 451 L HA -0.135 4.205 4.340 -0.000 0.000 0.219 451 L C 1.814 178.728 176.870 0.073 0.000 1.133 451 L CA 0.888 55.721 54.840 -0.012 0.000 0.816 451 L CB -0.223 41.729 42.059 -0.179 0.000 0.933 451 L HN 0.550 nan 8.230 nan 0.000 0.449 452 D N 1.106 121.554 120.400 0.080 0.000 2.218 452 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 452 D C 1.113 177.532 176.300 0.198 0.000 0.976 452 D CA 0.680 54.766 54.000 0.144 0.000 0.853 452 D CB -0.291 40.622 40.800 0.188 0.000 0.939 452 D HN 0.307 nan 8.370 nan 0.000 0.481 453 L N 2.410 123.779 121.223 0.244 0.000 2.384 453 L HA 0.264 4.604 4.340 -0.000 0.000 0.258 453 L C 0.675 177.677 176.870 0.219 0.000 1.266 453 L CA -0.653 54.324 54.840 0.229 0.000 1.162 453 L CB -0.455 41.764 42.059 0.267 0.000 1.375 453 L HN 0.052 nan 8.230 nan 0.000 0.420 454 I N -0.193 120.476 120.570 0.165 0.000 2.882 454 I HA 0.559 4.729 4.170 -0.000 0.000 0.286 454 I C 0.549 176.742 176.117 0.128 0.000 1.139 454 I CA 0.053 61.444 61.300 0.152 0.000 1.379 454 I CB 1.228 39.297 38.000 0.115 0.000 1.410 454 I HN 0.514 nan 8.210 nan 0.000 0.594 455 S N 2.665 118.441 115.700 0.127 0.000 2.643 455 S HA 0.367 4.837 4.470 -0.000 0.000 0.270 455 S C -1.060 173.629 174.600 0.148 0.000 1.166 455 S CA -0.889 57.387 58.200 0.126 0.000 0.815 455 S CB 0.771 64.032 63.200 0.103 0.000 1.139 455 S HN 0.747 nan 8.310 nan 0.000 0.472 456 Y N 1.859 122.185 120.300 0.044 0.000 2.442 456 Y HA 0.508 5.058 4.550 -0.001 0.000 0.330 456 Y C 0.906 176.837 175.900 0.052 0.000 1.129 456 Y CA 1.813 59.942 58.100 0.049 0.000 1.365 456 Y CB 0.013 38.496 38.460 0.039 0.000 1.233 456 Y HN 1.644 nan 8.280 nan 0.000 0.529 457 G N 4.615 113.020 108.800 -0.658 0.000 2.548 457 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.208 457 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.208 457 G C -0.910 173.892 174.900 -0.164 0.000 1.308 457 G CA -0.517 44.264 45.100 -0.531 0.000 0.924 457 G HN 0.698 nan 8.290 nan 0.000 0.540 458 Q N 1.425 121.160 119.800 -0.108 0.000 3.184 458 Q HA 0.174 4.514 4.340 -0.000 0.000 0.288 458 Q C 0.950 176.839 176.000 -0.184 0.000 1.412 458 Q CA 0.378 56.176 55.803 -0.009 0.000 0.991 458 Q CB 0.168 28.892 28.738 -0.024 0.000 1.688 458 Q HN 0.639 nan 8.270 nan 0.000 0.554 459 D N 0.753 121.095 120.400 -0.097 0.000 2.348 459 D HA -0.195 4.444 4.640 -0.000 0.000 0.216 459 D C 1.509 177.600 176.300 -0.349 0.000 0.970 459 D CA 0.213 54.060 54.000 -0.256 0.000 0.889 459 D CB -0.327 40.348 40.800 -0.208 0.000 0.912 459 D HN 0.676 nan 8.370 nan 0.000 0.524 460 W N 2.135 123.399 121.300 -0.060 0.000 2.325 460 W HA -0.153 4.507 4.660 0.000 0.000 0.299 460 W C 1.501 178.111 176.519 0.152 0.000 1.215 460 W CA 0.559 57.979 57.345 0.124 0.000 1.244 460 W CB -0.921 28.628 29.460 0.148 0.000 1.140 460 W HN -0.045 nan 8.180 nan 0.000 0.523 461 R N 1.526 121.469 120.500 -0.928 0.000 2.081 461 R HA -0.173 4.166 4.340 -0.000 0.000 0.235 461 R C 2.459 178.629 176.300 -0.217 0.000 1.131 461 R CA 2.348 57.930 56.100 -0.864 0.000 0.960 461 R CB -0.618 29.111 30.300 -0.952 0.000 0.856 461 R HN 0.319 nan 8.270 nan 0.000 0.436 462 K N 0.166 120.428 120.400 -0.229 0.000 2.097 462 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 462 K C 1.478 178.176 176.600 0.164 0.000 1.050 462 K CA 1.439 57.677 56.287 -0.082 0.000 0.938 462 K CB -0.249 32.153 32.500 -0.163 0.000 0.718 462 K HN 0.099 nan 8.250 nan 0.000 0.442 463 Y N -0.005 120.509 120.300 0.357 0.000 2.242 463 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 463 Y C 2.373 178.657 175.900 0.641 0.000 1.137 463 Y CA 0.672 59.135 58.100 0.604 0.000 1.181 463 Y CB -1.126 37.663 38.460 0.547 0.000 0.989 463 Y HN 0.146 nan 8.280 nan 0.000 0.527 464 Y N 1.034 121.639 120.300 0.509 0.000 2.242 464 Y HA -0.154 4.395 4.550 -0.002 0.000 0.291 464 Y C 2.070 178.174 175.900 0.340 0.000 1.137 464 Y CA 1.531 59.898 58.100 0.446 0.000 1.181 464 Y CB -0.217 38.513 38.460 0.450 0.000 0.989 464 Y HN -0.025 nan 8.280 nan 0.000 0.527 465 K N -0.173 120.412 120.400 0.309 0.000 2.439 465 K HA 0.014 4.334 4.320 -0.000 0.000 0.197 465 K C 0.246 176.942 176.600 0.161 0.000 1.041 465 K CA 0.227 56.616 56.287 0.170 0.000 0.970 465 K CB -0.091 32.485 32.500 0.127 0.000 0.773 465 K HN -0.011 nan 8.250 nan 0.000 0.479 466 V N 2.623 122.697 119.914 0.268 0.000 2.617 466 V HA -0.082 4.038 4.120 -0.000 0.000 0.304 466 V C 0.218 176.440 176.094 0.214 0.000 1.040 466 V CA 0.331 62.777 62.300 0.245 0.000 1.149 466 V CB 0.715 32.710 31.823 0.288 0.000 0.914 466 V HN 0.178 nan 8.190 nan 0.000 0.487 467 E N 8.486 128.770 120.200 0.141 0.000 2.101 467 E HA 0.393 4.743 4.350 -0.000 0.000 0.260 467 E C -1.978 174.679 176.600 0.094 0.000 0.897 467 E CA -2.602 53.865 56.400 0.112 0.000 0.744 467 E CB 1.706 31.441 29.700 0.058 0.000 1.140 467 E HN 0.306 nan 8.360 nan 0.000 0.419 468 P HA -0.073 nan 4.420 nan 0.000 0.220 468 P C 0.776 177.979 177.300 -0.163 0.000 1.148 468 P CA 0.857 63.911 63.100 -0.078 0.000 0.803 468 P CB 0.244 31.789 31.700 -0.258 0.000 0.782 469 L N -0.624 120.522 121.223 -0.128 0.000 2.612 469 L HA 0.089 4.428 4.340 -0.000 0.000 0.230 469 L C 0.126 176.903 176.870 -0.154 0.000 1.140 469 L CA 0.243 55.001 54.840 -0.137 0.000 0.896 469 L CB -0.636 41.337 42.059 -0.144 0.000 1.065 469 L HN -0.176 nan 8.230 nan 0.000 0.447 470 D N 1.799 122.199 120.400 -0.000 0.000 2.551 470 D HA 0.264 4.904 4.640 -0.000 0.000 0.223 470 D C -0.307 176.050 176.300 0.095 0.000 1.144 470 D CA 0.279 54.270 54.000 -0.014 0.000 1.025 470 D CB -0.157 40.645 40.800 0.003 0.000 1.085 470 D HN 0.092 nan 8.370 nan 0.000 0.506 471 F N -2.044 117.875 119.950 -0.050 0.000 2.643 471 F HA 0.684 5.212 4.527 0.001 0.000 0.314 471 F C 0.289 176.076 175.800 -0.022 0.000 1.096 471 F CA -1.729 56.248 58.000 -0.039 0.000 0.953 471 F CB 0.697 39.691 39.000 -0.011 0.000 1.345 471 F HN -0.040 nan 8.300 nan 0.000 0.468 472 G N 0.114 108.989 108.800 0.125 0.000 2.364 472 G HA2 0.538 4.498 3.960 -0.000 0.000 0.267 472 G HA3 0.538 4.498 3.960 -0.000 0.000 0.267 472 G C -0.297 174.629 174.900 0.042 0.000 1.233 472 G CA -0.030 45.084 45.100 0.024 0.000 0.885 472 G HN 1.529 nan 8.290 nan 0.000 0.490 473 G N 0.683 109.436 108.800 -0.078 0.000 2.340 473 G HA2 0.581 4.541 3.960 -0.000 0.000 0.298 473 G HA3 0.581 4.541 3.960 -0.000 0.000 0.298 473 G C -0.212 174.641 174.900 -0.077 0.000 1.498 473 G CA 0.008 45.091 45.100 -0.029 0.000 0.847 473 G HN 1.116 nan 8.290 nan 0.000 0.594 474 T N -1.535 113.007 114.554 -0.020 0.000 2.754 474 T HA 0.328 4.678 4.350 -0.000 0.000 0.286 474 T C 1.382 176.064 174.700 -0.031 0.000 0.997 474 T CA 0.313 62.398 62.100 -0.024 0.000 0.982 474 T CB 1.315 70.184 68.868 0.002 0.000 1.027 474 T HN 0.577 nan 8.240 nan 0.000 0.529 475 Q N -0.192 119.593 119.800 -0.026 0.000 2.181 475 Q HA -0.149 4.190 4.340 -0.000 0.000 0.205 475 Q C 2.361 178.371 176.000 0.018 0.000 0.980 475 Q CA 1.523 57.316 55.803 -0.016 0.000 0.862 475 Q CB -0.197 28.533 28.738 -0.014 0.000 0.905 475 Q HN 0.730 nan 8.270 nan 0.000 0.429 476 K N 0.787 121.201 120.400 0.024 0.000 2.026 476 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 476 K C 2.020 178.663 176.600 0.072 0.000 1.048 476 K CA 1.450 57.761 56.287 0.040 0.000 0.929 476 K CB 0.106 32.623 32.500 0.028 0.000 0.713 476 K HN 0.199 nan 8.250 nan 0.000 0.439 477 Q N 0.146 119.998 119.800 0.086 0.000 2.084 477 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 477 Q C 1.883 178.030 176.000 0.245 0.000 0.978 477 Q CA 1.480 57.380 55.803 0.162 0.000 0.844 477 Q CB 0.087 28.940 28.738 0.193 0.000 0.898 477 Q HN 0.242 nan 8.270 nan 0.000 0.426 478 K N 0.475 120.965 120.400 0.149 0.000 2.211 478 K HA -0.138 4.181 4.320 -0.000 0.000 0.203 478 K C 1.931 178.673 176.600 0.236 0.000 1.050 478 K CA 0.871 57.261 56.287 0.170 0.000 0.945 478 K CB 0.030 32.504 32.500 -0.043 0.000 0.732 478 K HN 0.286 nan 8.250 nan 0.000 0.451 479 Q N 0.563 120.461 119.800 0.164 0.000 2.297 479 Q HA -0.009 4.330 4.340 -0.000 0.000 0.204 479 Q C 1.821 177.931 176.000 0.183 0.000 0.962 479 Q CA 0.644 56.541 55.803 0.158 0.000 0.879 479 Q CB 0.048 28.841 28.738 0.093 0.000 0.947 479 Q HN 0.291 nan 8.270 nan 0.000 0.462 480 L N -0.348 120.988 121.223 0.188 0.000 2.465 480 L HA -0.005 4.335 4.340 -0.000 0.000 0.224 480 L C 0.553 177.527 176.870 0.173 0.000 1.145 480 L CA -0.172 54.758 54.840 0.151 0.000 0.834 480 L CB -0.011 42.116 42.059 0.113 0.000 0.944 480 L HN 0.150 nan 8.230 nan 0.000 0.451 481 F N 1.752 121.792 119.950 0.149 0.000 2.462 481 F HA 0.112 4.640 4.527 0.003 0.000 0.360 481 F C 1.233 177.111 175.800 0.129 0.000 1.134 481 F CA -0.503 57.566 58.000 0.115 0.000 1.148 481 F CB 0.403 39.533 39.000 0.217 0.000 1.147 481 F HN -0.033 nan 8.300 nan 0.000 0.550 482 I N 2.665 123.157 120.570 -0.130 0.000 3.860 482 I HA 0.601 4.771 4.170 -0.000 0.000 0.319 482 I C 0.865 176.991 176.117 0.014 0.000 1.279 482 I CA 0.467 61.785 61.300 0.029 0.000 1.220 482 I CB -0.346 37.626 38.000 -0.048 0.000 1.027 482 I HN 0.632 nan 8.210 nan 0.000 0.428 483 G N 0.294 108.860 108.800 -0.391 0.000 2.373 483 G HA2 0.431 4.391 3.960 -0.000 0.000 0.250 483 G HA3 0.431 4.391 3.960 -0.000 0.000 0.250 483 G C -0.947 173.778 174.900 -0.292 0.000 1.304 483 G CA -0.284 44.679 45.100 -0.228 0.000 0.948 483 G HN 0.592 nan 8.290 nan 0.000 0.474 484 G N -1.208 107.640 108.800 0.080 0.000 2.608 484 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 484 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 484 G C -1.771 173.338 174.900 0.349 0.000 1.425 484 G CA -0.284 44.969 45.100 0.254 0.000 0.787 484 G HN 0.683 nan 8.290 nan 0.000 0.484 485 E N -0.827 119.612 120.200 0.399 0.000 2.314 485 E HA 0.573 4.923 4.350 -0.000 0.000 0.272 485 E C -0.653 176.124 176.600 0.294 0.000 0.884 485 E CA -1.017 55.579 56.400 0.327 0.000 0.753 485 E CB 2.690 32.579 29.700 0.315 0.000 1.213 485 E HN 0.719 nan 8.360 nan 0.000 0.432 486 A N 1.734 124.602 122.820 0.081 0.000 2.289 486 A HA 0.462 4.782 4.320 -0.000 0.000 0.298 486 A C -0.507 176.961 177.584 -0.193 0.000 1.208 486 A CA -0.447 51.554 52.037 -0.060 0.000 0.845 486 A CB 0.202 19.053 19.000 -0.248 0.000 1.125 486 A HN 0.662 nan 8.150 nan 0.000 0.517 487 C N 2.730 121.893 119.300 -0.228 0.000 2.322 487 C HA 0.546 5.006 4.460 -0.000 0.000 0.324 487 C C -0.004 174.633 174.990 -0.589 0.000 1.284 487 C CA -0.297 58.395 59.018 -0.544 0.000 1.606 487 C CB 0.416 27.711 27.740 -0.740 0.000 2.251 487 C HN 0.799 nan 8.230 nan 0.000 0.502 488 L N 4.462 125.291 121.223 -0.658 0.000 2.506 488 L HA 0.462 4.802 4.340 -0.000 0.000 0.247 488 L C -0.603 175.973 176.870 -0.490 0.000 1.141 488 L CA -0.102 54.466 54.840 -0.454 0.000 0.973 488 L CB -0.224 41.621 42.059 -0.357 0.000 1.319 488 L HN 0.753 nan 8.230 nan 0.000 0.455 489 W N 2.086 123.195 121.300 -0.319 0.000 2.148 489 W HA 0.370 5.029 4.660 -0.001 0.000 0.347 489 W C 1.524 177.940 176.519 -0.171 0.000 1.288 489 W CA 0.278 57.441 57.345 -0.304 0.000 1.252 489 W CB 0.701 29.950 29.460 -0.353 0.000 1.156 489 W HN 0.592 nan 8.180 nan 0.000 0.580 490 G N 0.495 109.349 108.800 0.090 0.000 3.233 490 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.234 490 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.234 490 G C 0.976 175.819 174.900 -0.096 0.000 1.137 490 G CA -0.107 45.011 45.100 0.030 0.000 0.763 490 G HN 0.474 nan 8.290 nan 0.000 0.549 491 E N 0.244 120.330 120.200 -0.189 0.000 2.097 491 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 491 E C 0.679 176.898 176.600 -0.635 0.000 1.000 491 E CA 1.309 57.381 56.400 -0.547 0.000 0.804 491 E CB -0.189 29.045 29.700 -0.776 0.000 0.740 491 E HN 0.638 nan 8.360 nan 0.000 0.454 492 Y N -1.385 118.999 120.300 0.140 0.000 2.660 492 Y HA 0.349 4.899 4.550 -0.000 0.000 0.254 492 Y C -0.462 175.556 175.900 0.197 0.000 1.176 492 Y CA -0.423 57.790 58.100 0.188 0.000 1.195 492 Y CB 0.860 39.388 38.460 0.112 0.000 1.190 492 Y HN -0.242 nan 8.280 nan 0.000 0.535 493 V N 1.901 122.017 119.914 0.336 0.000 2.588 493 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 493 V C -0.697 175.550 176.094 0.255 0.000 1.042 493 V CA -0.686 61.749 62.300 0.226 0.000 0.877 493 V CB 1.991 33.891 31.823 0.128 0.000 0.996 493 V HN 0.305 nan 8.190 nan 0.000 0.425 494 D N 3.915 124.334 120.400 0.032 0.000 2.895 494 D HA 0.488 5.128 4.640 -0.000 0.000 0.320 494 D C 0.988 177.280 176.300 -0.014 0.000 1.249 494 D CA 0.076 54.058 54.000 -0.030 0.000 0.997 494 D CB 1.392 42.019 40.800 -0.289 0.000 1.430 494 D HN 0.466 nan 8.370 nan 0.000 0.558 495 A N -0.520 122.294 122.820 -0.010 0.000 2.024 495 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 495 A C 1.960 179.542 177.584 -0.004 0.000 1.164 495 A CA 3.069 55.104 52.037 -0.003 0.000 0.643 495 A CB -1.509 17.497 19.000 0.009 0.000 0.806 495 A HN 0.746 nan 8.150 nan 0.000 0.451 496 T N -1.389 113.156 114.554 -0.015 0.000 2.915 496 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 496 T C 1.141 175.844 174.700 0.006 0.000 1.071 496 T CA 1.434 63.530 62.100 -0.006 0.000 1.132 496 T CB -0.311 68.548 68.868 -0.014 0.000 0.878 496 T HN 0.679 nan 8.240 nan 0.000 0.479 497 N N -0.123 118.582 118.700 0.009 0.000 2.118 497 N HA 0.173 4.913 4.740 -0.000 0.000 0.226 497 N C 1.282 176.803 175.510 0.019 0.000 1.305 497 N CA -0.122 52.941 53.050 0.022 0.000 0.890 497 N CB -0.495 38.013 38.487 0.035 0.000 1.118 497 N HN 0.403 nan 8.380 nan 0.000 0.511 498 L N 1.030 122.258 121.223 0.009 0.000 1.989 498 L HA -0.098 4.241 4.340 -0.000 0.000 0.211 498 L C 1.804 178.664 176.870 -0.017 0.000 1.071 498 L CA 1.887 56.719 54.840 -0.015 0.000 0.749 498 L CB -0.706 41.338 42.059 -0.025 0.000 0.890 498 L HN 0.082 nan 8.230 nan 0.000 0.431 499 T N 0.474 115.049 114.554 0.035 0.000 2.674 499 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 499 T C -0.671 174.100 174.700 0.120 0.000 1.039 499 T CA 1.753 63.926 62.100 0.122 0.000 1.150 499 T CB -1.174 67.776 68.868 0.136 0.000 0.864 499 T HN 0.363 nan 8.240 nan 0.000 0.427 500 P HA -0.037 nan 4.420 nan 0.000 0.217 500 P C 1.420 178.745 177.300 0.041 0.000 1.150 500 P CA 1.167 64.306 63.100 0.065 0.000 0.832 500 P CB -0.037 31.692 31.700 0.047 0.000 0.787 501 R N -0.550 119.957 120.500 0.012 0.000 2.092 501 R HA -0.012 4.328 4.340 -0.000 0.000 0.231 501 R C 2.380 178.629 176.300 -0.086 0.000 1.119 501 R CA 0.885 56.981 56.100 -0.006 0.000 0.970 501 R CB -0.832 29.467 30.300 -0.002 0.000 0.864 501 R HN 0.135 nan 8.270 nan 0.000 0.440 502 L N -0.631 120.465 121.223 -0.213 0.000 2.044 502 L HA -0.020 4.319 4.340 -0.000 0.000 0.205 502 L C -0.047 176.457 176.870 -0.610 0.000 1.075 502 L CA 0.919 55.425 54.840 -0.556 0.000 0.747 502 L CB 0.072 41.582 42.059 -0.915 0.000 0.903 502 L HN 0.168 nan 8.230 nan 0.000 0.435 503 W N -0.473 120.806 121.300 -0.035 0.000 2.573 503 W HA 0.334 4.994 4.660 -0.001 0.000 0.326 503 W C -1.695 174.794 176.519 -0.050 0.000 1.049 503 W CA -1.554 55.766 57.345 -0.043 0.000 1.220 503 W CB 0.454 29.874 29.460 -0.067 0.000 1.373 503 W HN -0.148 nan 8.180 nan 0.000 0.507 504 P HA 0.092 nan 4.420 nan 0.000 0.261 504 P C 0.876 178.268 177.300 0.153 0.000 1.352 504 P CA 0.219 63.413 63.100 0.156 0.000 0.891 504 P CB 0.348 31.990 31.700 -0.096 0.000 1.383 505 R N 0.666 121.257 120.500 0.152 0.000 2.091 505 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 505 R C 2.245 178.681 176.300 0.226 0.000 1.136 505 R CA 1.861 58.127 56.100 0.275 0.000 0.959 505 R CB -0.989 29.491 30.300 0.299 0.000 0.856 505 R HN 0.162 nan 8.270 nan 0.000 0.437 506 A N 0.531 123.338 122.820 -0.022 0.000 2.067 506 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 506 A C 2.122 179.958 177.584 0.420 0.000 1.158 506 A CA 1.397 53.393 52.037 -0.069 0.000 0.661 506 A CB -0.245 18.306 19.000 -0.747 0.000 0.801 506 A HN 0.228 nan 8.150 nan 0.000 0.452 507 S N 0.173 116.196 115.700 0.539 0.000 2.399 507 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 507 S C 2.261 177.318 174.600 0.761 0.000 1.022 507 S CA 1.072 59.667 58.200 0.658 0.000 0.983 507 S CB -0.421 62.929 63.200 0.250 0.000 0.803 507 S HN 0.810 nan 8.310 nan 0.000 0.480 508 A N 1.279 124.477 122.820 0.632 0.000 1.908 508 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 508 A C 2.342 180.290 177.584 0.607 0.000 1.181 508 A CA 1.722 54.264 52.037 0.842 0.000 0.627 508 A CB -0.916 18.610 19.000 0.877 0.000 0.818 508 A HN 0.364 nan 8.150 nan 0.000 0.445 509 V N -0.138 119.948 119.914 0.286 0.000 2.358 509 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 509 V C 2.830 178.895 176.094 -0.047 0.000 1.047 509 V CA 1.761 63.960 62.300 -0.169 0.000 1.035 509 V CB -1.531 29.973 31.823 -0.531 0.000 0.658 509 V HN 0.615 nan 8.190 nan 0.000 0.452 510 G N -0.342 108.535 108.800 0.128 0.000 2.469 510 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 510 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 510 G C 1.539 176.428 174.900 -0.019 0.000 1.150 510 G CA 1.195 46.139 45.100 -0.259 0.000 0.763 510 G HN 0.593 nan 8.290 nan 0.000 0.561 511 E N -0.174 120.117 120.200 0.151 0.000 2.072 511 E HA -0.102 4.247 4.350 -0.000 0.000 0.190 511 E C 2.531 179.160 176.600 0.049 0.000 0.982 511 E CA 0.718 57.095 56.400 -0.038 0.000 0.803 511 E CB -0.072 29.440 29.700 -0.313 0.000 0.755 511 E HN 0.219 nan 8.360 nan 0.000 0.453 512 R N 0.538 121.093 120.500 0.093 0.000 2.120 512 R HA -0.054 4.285 4.340 -0.000 0.000 0.234 512 R C 2.006 178.425 176.300 0.198 0.000 1.123 512 R CA 1.321 57.474 56.100 0.088 0.000 0.975 512 R CB -0.421 29.970 30.300 0.150 0.000 0.866 512 R HN 0.306 nan 8.270 nan 0.000 0.446 513 L N -1.387 119.934 121.223 0.163 0.000 2.270 513 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 513 L C 2.159 179.191 176.870 0.270 0.000 1.104 513 L CA 0.435 55.465 54.840 0.316 0.000 0.804 513 L CB -0.383 41.766 42.059 0.149 0.000 0.937 513 L HN 0.335 nan 8.230 nan 0.000 0.450 514 W N 0.626 121.919 121.300 -0.012 0.000 2.633 514 W HA 0.119 4.778 4.660 -0.002 0.000 0.295 514 W C 0.994 177.463 176.519 -0.083 0.000 1.133 514 W CA 0.262 57.575 57.345 -0.054 0.000 1.490 514 W CB 0.010 29.410 29.460 -0.099 0.000 1.127 514 W HN -0.095 nan 8.180 nan 0.000 0.538 515 S N 1.431 117.246 115.700 0.191 0.000 2.608 515 S HA 0.139 4.609 4.470 -0.000 0.000 0.261 515 S C 0.236 174.805 174.600 -0.052 0.000 1.314 515 S CA -0.483 57.771 58.200 0.090 0.000 0.992 515 S CB 1.147 64.374 63.200 0.044 0.000 0.935 515 S HN 0.051 nan 8.310 nan 0.000 0.564 516 S N 1.343 117.006 115.700 -0.061 0.000 2.563 516 S HA 0.024 4.494 4.470 -0.000 0.000 0.284 516 S C 1.441 176.006 174.600 -0.058 0.000 1.331 516 S CA -0.450 57.699 58.200 -0.085 0.000 1.047 516 S CB 0.370 63.532 63.200 -0.064 0.000 0.859 516 S HN 0.736 nan 8.310 nan 0.000 0.514 517 K N 1.544 121.904 120.400 -0.066 0.000 2.113 517 K HA -0.221 4.098 4.320 -0.000 0.000 0.208 517 K C 1.077 177.663 176.600 -0.023 0.000 1.047 517 K CA 1.998 58.264 56.287 -0.034 0.000 0.928 517 K CB -0.262 32.213 32.500 -0.042 0.000 0.716 517 K HN 0.780 nan 8.250 nan 0.000 0.446 518 D N -0.146 120.240 120.400 -0.023 0.000 2.349 518 D HA -0.050 4.589 4.640 -0.000 0.000 0.224 518 D C 0.192 176.501 176.300 0.014 0.000 1.029 518 D CA 0.063 54.060 54.000 -0.005 0.000 0.879 518 D CB -0.003 40.793 40.800 -0.007 0.000 0.906 518 D HN -0.086 nan 8.370 nan 0.000 0.528 519 V N 1.762 121.681 119.914 0.009 0.000 2.326 519 V HA 0.182 4.302 4.120 -0.000 0.000 0.249 519 V C 1.010 177.150 176.094 0.076 0.000 1.114 519 V CA -0.056 62.271 62.300 0.045 0.000 1.028 519 V CB -0.523 31.315 31.823 0.024 0.000 1.170 519 V HN 0.348 nan 8.190 nan 0.000 0.494 520 R N 1.327 121.909 120.500 0.137 0.000 2.527 520 R HA 0.259 4.598 4.340 -0.000 0.000 0.402 520 R C -0.074 176.409 176.300 0.306 0.000 0.933 520 R CA -0.635 55.601 56.100 0.226 0.000 1.171 520 R CB 0.090 30.445 30.300 0.093 0.000 1.612 520 R HN 0.523 nan 8.270 nan 0.000 0.546 521 D N 1.441 121.986 120.400 0.242 0.000 2.412 521 D HA 0.016 4.656 4.640 -0.000 0.000 0.257 521 D C 1.257 177.707 176.300 0.250 0.000 1.217 521 D CA 0.050 54.170 54.000 0.199 0.000 0.897 521 D CB 0.834 41.720 40.800 0.145 0.000 1.132 521 D HN -0.027 nan 8.370 nan 0.000 0.493 522 M N 2.513 122.240 119.600 0.212 0.000 2.132 522 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 522 M C 1.218 177.658 176.300 0.232 0.000 1.065 522 M CA 1.191 56.614 55.300 0.206 0.000 1.122 522 M CB -0.653 32.009 32.600 0.103 0.000 1.365 522 M HN 0.474 nan 8.290 nan 0.000 0.411 523 D N 0.445 120.946 120.400 0.168 0.000 2.117 523 D HA -0.166 4.473 4.640 -0.000 0.000 0.197 523 D C 1.657 178.086 176.300 0.214 0.000 0.987 523 D CA 1.401 55.504 54.000 0.172 0.000 0.829 523 D CB -0.376 40.486 40.800 0.104 0.000 0.961 523 D HN 0.388 nan 8.370 nan 0.000 0.460 524 D N 0.020 120.528 120.400 0.180 0.000 2.144 524 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 524 D C 1.931 178.352 176.300 0.203 0.000 0.978 524 D CA 1.315 55.412 54.000 0.162 0.000 0.833 524 D CB 0.003 40.883 40.800 0.132 0.000 0.961 524 D HN 0.083 nan 8.370 nan 0.000 0.470 525 A N -0.555 122.417 122.820 0.253 0.000 1.902 525 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 525 A C 2.204 179.906 177.584 0.197 0.000 1.181 525 A CA 1.504 53.716 52.037 0.293 0.000 0.623 525 A CB -1.296 17.771 19.000 0.111 0.000 0.818 525 A HN 0.512 nan 8.150 nan 0.000 0.443 526 Y N 1.184 121.573 120.300 0.147 0.000 2.181 526 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 526 Y C 1.912 177.771 175.900 -0.069 0.000 1.146 526 Y CA 2.006 60.106 58.100 -0.000 0.000 1.164 526 Y CB -0.177 38.397 38.460 0.189 0.000 0.982 526 Y HN 0.353 nan 8.280 nan 0.000 0.515 527 D N -0.047 120.389 120.400 0.059 0.000 2.084 527 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 527 D C 2.263 178.490 176.300 -0.123 0.000 0.990 527 D CA 1.634 55.602 54.000 -0.052 0.000 0.826 527 D CB -0.307 40.525 40.800 0.053 0.000 0.971 527 D HN 0.405 nan 8.370 nan 0.000 0.453 528 R N -0.159 120.335 120.500 -0.009 0.000 2.092 528 R HA -0.047 4.292 4.340 -0.000 0.000 0.231 528 R C 2.252 178.498 176.300 -0.090 0.000 1.119 528 R CA 0.359 56.487 56.100 0.047 0.000 0.970 528 R CB -0.313 30.141 30.300 0.257 0.000 0.864 528 R HN 0.110 nan 8.270 nan 0.000 0.440 529 L N 1.058 122.076 121.223 -0.342 0.000 2.093 529 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 529 L C 2.263 178.767 176.870 -0.610 0.000 1.085 529 L CA 2.035 56.396 54.840 -0.799 0.000 0.755 529 L CB -0.712 40.562 42.059 -1.309 0.000 0.904 529 L HN 0.269 nan 8.230 nan 0.000 0.435 530 T N -3.030 111.160 114.554 -0.605 0.000 2.788 530 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 530 T C 2.047 176.533 174.700 -0.357 0.000 1.044 530 T CA 1.499 63.288 62.100 -0.519 0.000 1.139 530 T CB -0.432 68.070 68.868 -0.611 0.000 0.867 530 T HN 0.330 nan 8.240 nan 0.000 0.454 531 R N -0.123 120.203 120.500 -0.289 0.000 2.075 531 R HA 0.051 4.390 4.340 -0.000 0.000 0.226 531 R C 2.574 178.774 176.300 -0.166 0.000 1.114 531 R CA 1.240 57.214 56.100 -0.209 0.000 0.972 531 R CB -0.560 29.643 30.300 -0.162 0.000 0.869 531 R HN 0.512 nan 8.270 nan 0.000 0.437 532 H N 1.108 120.016 119.070 -0.270 0.000 2.353 532 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 532 H C 2.110 177.265 175.328 -0.288 0.000 1.090 532 H CA 1.648 57.539 56.048 -0.262 0.000 1.327 532 H CB 0.057 29.624 29.762 -0.325 0.000 1.383 532 H HN -0.070 nan 8.280 nan 0.000 0.508 533 R N 0.100 120.371 120.500 -0.382 0.000 2.081 533 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 533 R C 2.214 178.337 176.300 -0.296 0.000 1.131 533 R CA 1.562 57.440 56.100 -0.371 0.000 0.960 533 R CB -1.110 28.999 30.300 -0.319 0.000 0.856 533 R HN 0.471 nan 8.270 nan 0.000 0.436 534 c N 0.288 118.733 118.600 -0.259 0.000 2.425 534 c HA -0.032 4.538 4.570 -0.000 0.000 0.277 534 c C 2.880 176.840 174.090 -0.217 0.000 1.280 534 c CA 0.959 57.160 56.329 -0.213 0.000 1.744 534 c CB -1.086 41.302 42.510 -0.205 0.000 1.989 534 c HN 0.547 nan 8.230 nan 0.000 0.491 535 R N 0.479 120.827 120.500 -0.253 0.000 2.081 535 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 535 R C 2.208 178.293 176.300 -0.359 0.000 1.131 535 R CA 1.623 57.555 56.100 -0.281 0.000 0.960 535 R CB -0.295 29.849 30.300 -0.261 0.000 0.856 535 R HN 0.463 nan 8.270 nan 0.000 0.436 536 M N -0.133 119.222 119.600 -0.409 0.000 2.108 536 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 536 M C 2.205 178.377 176.300 -0.213 0.000 1.066 536 M CA 1.516 56.608 55.300 -0.347 0.000 1.107 536 M CB -0.096 32.280 32.600 -0.372 0.000 1.356 536 M HN 0.077 nan 8.290 nan 0.000 0.406 537 V N 0.480 120.285 119.914 -0.182 0.000 2.295 537 V HA -0.268 3.851 4.120 -0.000 0.000 0.246 537 V C 1.978 178.012 176.094 -0.100 0.000 1.049 537 V CA 2.007 64.238 62.300 -0.115 0.000 1.024 537 V CB -0.784 30.979 31.823 -0.100 0.000 0.648 537 V HN 0.490 nan 8.190 nan 0.000 0.447 538 E N -0.111 120.013 120.200 -0.126 0.000 2.160 538 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 538 E C 2.143 178.692 176.600 -0.086 0.000 0.991 538 E CA 1.052 57.393 56.400 -0.098 0.000 0.810 538 E CB -0.164 29.467 29.700 -0.115 0.000 0.742 538 E HN 0.540 nan 8.360 nan 0.000 0.466 539 R N -0.585 119.825 120.500 -0.149 0.000 2.335 539 R HA 0.100 4.440 4.340 -0.000 0.000 0.223 539 R C 0.824 177.135 176.300 0.018 0.000 0.940 539 R CA 0.472 56.505 56.100 -0.111 0.000 1.086 539 R CB 0.558 30.592 30.300 -0.443 0.000 1.073 539 R HN 0.242 nan 8.270 nan 0.000 0.504 540 G N 0.990 109.789 108.800 -0.002 0.000 2.141 540 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 540 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 540 G C 0.003 174.910 174.900 0.013 0.000 0.982 540 G CA -0.464 44.649 45.100 0.021 0.000 0.662 540 G HN 0.157 nan 8.290 nan 0.000 0.527 541 I N 1.332 121.895 120.570 -0.013 0.000 2.312 541 I HA 0.555 4.725 4.170 -0.000 0.000 0.290 541 I C 1.012 177.110 176.117 -0.031 0.000 1.008 541 I CA -0.658 60.620 61.300 -0.036 0.000 1.226 541 I CB 0.996 38.927 38.000 -0.115 0.000 1.371 541 I HN 0.294 nan 8.210 nan 0.000 0.468 542 A N 6.200 129.024 122.820 0.007 0.000 3.048 542 A HA 0.522 4.842 4.320 -0.000 0.000 0.264 542 A C 0.932 178.537 177.584 0.036 0.000 1.796 542 A CA -0.358 51.687 52.037 0.012 0.000 1.445 542 A CB -0.667 18.346 19.000 0.020 0.000 1.074 542 A HN 0.776 nan 8.150 nan 0.000 0.621 543 A N 1.558 124.388 122.820 0.017 0.000 2.440 543 A HA 0.471 4.791 4.320 -0.000 0.000 0.251 543 A C 0.669 178.259 177.584 0.010 0.000 1.089 543 A CA -0.360 51.707 52.037 0.050 0.000 0.779 543 A CB 0.110 19.112 19.000 0.003 0.000 1.022 543 A HN 0.881 nan 8.150 nan 0.000 0.492 544 Q N 2.130 121.949 119.800 0.030 0.000 2.382 544 Q HA 0.500 4.840 4.340 -0.000 0.000 0.229 544 Q C -2.550 173.442 176.000 -0.013 0.000 1.006 544 Q CA -1.700 54.112 55.803 0.016 0.000 0.916 544 Q CB -0.128 28.634 28.738 0.039 0.000 1.235 544 Q HN 0.424 nan 8.270 nan 0.000 0.512 545 P HA 0.027 nan 4.420 nan 0.000 0.272 545 P C -0.100 177.207 177.300 0.011 0.000 1.230 545 P CA -0.148 62.941 63.100 -0.018 0.000 0.788 545 P CB 0.605 32.306 31.700 0.002 0.000 0.949 546 L N -0.117 121.106 121.223 -0.001 0.000 2.202 546 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 546 L C 0.518 177.585 176.870 0.328 0.000 1.083 546 L CA 1.299 56.196 54.840 0.094 0.000 0.790 546 L CB -0.131 41.893 42.059 -0.060 0.000 0.942 546 L HN 0.438 nan 8.230 nan 0.000 0.452 547 Y N -1.588 118.784 120.300 0.120 0.000 2.895 547 Y HA 0.507 5.058 4.550 0.002 0.000 0.339 547 Y C -0.645 175.316 175.900 0.101 0.000 1.363 547 Y CA -1.317 56.867 58.100 0.139 0.000 1.085 547 Y CB 0.642 39.242 38.460 0.233 0.000 1.500 547 Y HN -0.146 nan 8.280 nan 0.000 0.442 548 A N 1.372 123.820 122.820 -0.620 0.000 2.547 548 A HA 0.509 4.829 4.320 -0.000 0.000 0.233 548 A C 0.668 178.217 177.584 -0.058 0.000 1.067 548 A CA 1.470 53.296 52.037 -0.352 0.000 0.763 548 A CB -1.014 17.690 19.000 -0.493 0.000 1.007 548 A HN 2.003 nan 8.150 nan 0.000 0.506 549 G N -0.469 108.338 108.800 0.011 0.000 2.339 549 G HA2 0.539 4.498 3.960 -0.000 0.000 0.275 549 G HA3 0.539 4.498 3.960 -0.000 0.000 0.275 549 G C -0.976 174.037 174.900 0.189 0.000 1.323 549 G CA 0.094 45.264 45.100 0.117 0.000 0.927 549 G HN 2.345 nan 8.290 nan 0.000 0.486 550 Y N -2.258 118.015 120.300 -0.044 0.000 2.656 550 Y HA 0.783 5.333 4.550 -0.000 0.000 0.334 550 Y C -0.365 175.498 175.900 -0.062 0.000 1.179 550 Y CA -1.765 56.304 58.100 -0.051 0.000 1.050 550 Y CB 0.605 39.039 38.460 -0.043 0.000 1.308 550 Y HN 0.880 nan 8.280 nan 0.000 0.456 551 c N 3.158 121.697 118.600 -0.101 0.000 2.397 551 c HA 0.786 5.356 4.570 -0.000 0.000 0.343 551 c C -0.640 173.389 174.090 -0.102 0.000 1.188 551 c CA -0.193 56.015 56.329 -0.202 0.000 1.992 551 c CB 0.479 42.919 42.510 -0.117 0.000 2.358 551 c HN 0.979 nan 8.230 nan 0.000 0.518 552 N N 0.000 118.608 118.700 -0.153 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 53.018 53.050 -0.053 0.000 0.885 552 N CB 0.000 38.506 38.487 0.031 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667