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 3ifr_1_A DATA FIRST_RESID 7 DATA SEQUENCE RQVIGLDIGT TSTIAILVRL PDTVVAVASR PTTLSSPHPG WAEEDPAQWW DATA SEQUENCE DNARAVLAEL KTTAGESDWR PGGICVTGXL PAVVLLDDRG AVLRPSIQQS DATA SEQUENCE DGRCGDEVAE LRAEVDSEAF LARTGNGVTQ QLVTAKLRWI ERHEPAVFGA DATA SEQUENCE IATVCGSYDY INXLLTGERV VDRNWALEGG FIDLASGTVE ADLVALAHIP DATA SEQUENCE PSAVPPAHPT HRVLGAVTAE AAALTGLPTG LPVYGGAADH IASALAAGIT DATA SEQUENCE RPGDVLLKFG GAGDIIVASA TAKSDPRLYL DYHLVPGLYA PNGCXAATGS DATA SEQUENCE ALNWLAKLLA PEAGEAAHAQ LDALAAEVPA GADGLVCLPY FLGEKXXXXD DATA SEQUENCE PFASGTFTGL SLSHTRGHLW RALLEAVALA FRHHVAVLDD IGHAPQRFFA DATA SEQUENCE SDGGTRSRVW XGIXADVLQR PVQLLANPLG SAVGAAWVAA IGGGDDLGWD DATA SEQUENCE DVTALVRTGE KITPDPAKAE VYDRLYRDFS ALYATLHPFF HR 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.245 176.300 -0.092 0.000 0.893 7 R CA 0.000 56.051 56.100 -0.081 0.000 0.921 7 R CB 0.000 30.243 30.300 -0.095 0.000 0.687 8 Q N 2.267 122.001 119.800 -0.109 0.000 2.348 8 Q HA 0.738 5.081 4.340 0.005 0.000 0.271 8 Q C -1.462 174.457 176.000 -0.134 0.000 1.067 8 Q CA -1.112 54.622 55.803 -0.115 0.000 0.839 8 Q CB 2.989 31.642 28.738 -0.142 0.000 1.354 8 Q HN 0.396 nan 8.270 nan 0.000 0.447 9 V N 2.600 122.448 119.914 -0.109 0.000 3.077 9 V HA 0.506 4.629 4.120 0.005 0.000 0.299 9 V C -1.540 174.525 176.094 -0.049 0.000 1.276 9 V CA -0.523 61.721 62.300 -0.094 0.000 0.993 9 V CB 2.529 34.279 31.823 -0.122 0.000 1.076 9 V HN 0.642 nan 8.190 nan 0.000 0.434 10 I N 3.142 123.696 120.570 -0.025 0.000 2.509 10 I HA 0.704 4.877 4.170 0.005 0.000 0.293 10 I C 0.420 176.562 176.117 0.042 0.000 1.020 10 I CA -0.484 60.828 61.300 0.019 0.000 1.088 10 I CB 2.180 40.198 38.000 0.031 0.000 1.267 10 I HN 0.722 nan 8.210 nan 0.000 0.430 11 G N 5.691 114.523 108.800 0.054 0.000 2.415 11 G HA2 0.655 4.618 3.960 0.005 0.000 0.327 11 G HA3 0.655 4.618 3.960 0.005 0.000 0.327 11 G C -1.680 173.253 174.900 0.055 0.000 1.182 11 G CA -0.383 44.750 45.100 0.055 0.000 0.924 11 G HN 0.379 nan 8.290 nan 0.000 0.470 12 L N 1.422 122.675 121.223 0.051 0.000 2.362 12 L HA 0.731 5.073 4.340 0.005 0.000 0.275 12 L C -1.471 175.418 176.870 0.032 0.000 0.998 12 L CA -0.864 54.007 54.840 0.052 0.000 0.820 12 L CB 2.380 44.481 42.059 0.069 0.000 1.270 12 L HN 0.449 nan 8.230 nan 0.000 0.415 13 D N 4.599 125.016 120.400 0.029 0.000 2.462 13 D HA 0.304 4.946 4.640 0.005 0.000 0.245 13 D C -0.871 175.433 176.300 0.007 0.000 1.122 13 D CA -0.215 53.791 54.000 0.010 0.000 0.864 13 D CB 0.855 41.663 40.800 0.013 0.000 1.098 13 D HN 0.396 nan 8.370 nan 0.000 0.541 14 I N 4.031 124.588 120.570 -0.022 0.000 2.270 14 I HA 0.335 4.508 4.170 0.005 0.000 0.300 14 I C 1.225 177.265 176.117 -0.129 0.000 1.186 14 I CA 0.064 61.298 61.300 -0.111 0.000 1.431 14 I CB 0.537 38.384 38.000 -0.255 0.000 1.485 14 I HN 0.407 nan 8.210 nan 0.000 0.650 15 G N 2.820 111.597 108.800 -0.039 0.000 2.547 15 G HA2 0.313 4.276 3.960 0.005 0.000 0.291 15 G HA3 0.313 4.276 3.960 0.005 0.000 0.291 15 G C 0.775 175.692 174.900 0.029 0.000 1.211 15 G CA -0.297 44.804 45.100 0.002 0.000 0.950 15 G HN 0.394 nan 8.290 nan 0.000 0.504 16 T N -0.500 114.088 114.554 0.057 0.000 2.770 16 T HA -0.084 4.269 4.350 0.005 0.000 0.263 16 T C 2.433 177.206 174.700 0.121 0.000 1.039 16 T CA 2.071 64.228 62.100 0.095 0.000 1.142 16 T CB -0.244 68.672 68.868 0.080 0.000 0.868 16 T HN 0.706 nan 8.240 nan 0.000 0.435 17 T N -1.940 112.671 114.554 0.096 0.000 3.085 17 T HA 0.470 4.822 4.350 0.005 0.000 0.264 17 T C 0.279 175.034 174.700 0.093 0.000 1.019 17 T CA -0.392 61.766 62.100 0.097 0.000 0.910 17 T CB 0.351 69.266 68.868 0.079 0.000 1.059 17 T HN 0.109 nan 8.240 nan 0.000 0.542 18 S N 0.214 115.969 115.700 0.091 0.000 2.543 18 S HA 0.535 5.008 4.470 0.005 0.000 0.273 18 S C -1.326 173.319 174.600 0.076 0.000 1.152 18 S CA -0.479 57.769 58.200 0.080 0.000 0.910 18 S CB 1.774 65.011 63.200 0.062 0.000 1.105 18 S HN 0.298 nan 8.310 nan 0.000 0.465 19 T N 4.688 119.290 114.554 0.080 0.000 2.758 19 T HA 0.624 4.977 4.350 0.005 0.000 0.285 19 T C -0.600 174.133 174.700 0.055 0.000 0.981 19 T CA -0.244 61.899 62.100 0.072 0.000 0.965 19 T CB 0.267 69.195 68.868 0.100 0.000 0.927 19 T HN 0.500 nan 8.240 nan 0.000 0.448 20 I N 2.525 123.122 120.570 0.046 0.000 2.533 20 I HA 0.719 4.892 4.170 0.005 0.000 0.290 20 I C -0.260 175.883 176.117 0.044 0.000 1.056 20 I CA -1.012 60.314 61.300 0.042 0.000 1.057 20 I CB 1.915 39.938 38.000 0.039 0.000 1.240 20 I HN 0.665 nan 8.210 nan 0.000 0.423 21 A N 7.289 130.137 122.820 0.047 0.000 2.401 21 A HA 0.943 5.266 4.320 0.005 0.000 0.310 21 A C -0.851 176.770 177.584 0.062 0.000 1.075 21 A CA -0.568 51.504 52.037 0.057 0.000 0.746 21 A CB 1.642 20.680 19.000 0.064 0.000 1.277 21 A HN 0.741 nan 8.150 nan 0.000 0.425 22 I N -0.539 120.073 120.570 0.069 0.000 2.828 22 I HA 0.817 4.990 4.170 0.005 0.000 0.302 22 I C -1.715 174.453 176.117 0.085 0.000 1.101 22 I CA -1.146 60.198 61.300 0.073 0.000 1.031 22 I CB 2.002 40.039 38.000 0.061 0.000 1.231 22 I HN 0.530 nan 8.210 nan 0.000 0.427 23 L N 5.802 127.081 121.223 0.094 0.000 2.305 23 L HA 0.677 5.020 4.340 0.005 0.000 0.284 23 L C -1.052 175.859 176.870 0.067 0.000 1.013 23 L CA -0.393 54.502 54.840 0.092 0.000 0.819 23 L CB 1.633 43.785 42.059 0.155 0.000 1.227 23 L HN 0.540 nan 8.230 nan 0.000 0.417 24 V N 5.422 125.363 119.914 0.045 0.000 2.555 24 V HA 0.558 4.681 4.120 0.005 0.000 0.302 24 V C -0.143 175.964 176.094 0.021 0.000 1.038 24 V CA -0.776 61.554 62.300 0.050 0.000 0.887 24 V CB 1.761 33.632 31.823 0.079 0.000 0.991 24 V HN 0.767 nan 8.190 nan 0.000 0.434 25 R N 4.613 125.130 120.500 0.028 0.000 2.229 25 R HA 0.561 4.904 4.340 0.005 0.000 0.328 25 R C -1.012 175.301 176.300 0.022 0.000 1.009 25 R CA -0.601 55.505 56.100 0.009 0.000 0.864 25 R CB 0.704 31.013 30.300 0.015 0.000 1.085 25 R HN 0.689 nan 8.270 nan 0.000 0.453 26 L N 6.681 127.902 121.223 -0.004 0.000 2.439 26 L HA 0.237 4.580 4.340 0.005 0.000 0.269 26 L C -1.237 175.643 176.870 0.017 0.000 1.179 26 L CA -1.420 53.427 54.840 0.011 0.000 0.828 26 L CB 0.865 42.878 42.059 -0.077 0.000 1.106 26 L HN 0.635 nan 8.230 nan 0.000 0.467 27 P HA 0.060 nan 4.420 nan 0.000 0.264 27 P C -0.201 177.200 177.300 0.168 0.000 1.259 27 P CA 0.288 63.462 63.100 0.122 0.000 0.841 27 P CB 0.207 31.975 31.700 0.113 0.000 1.232 28 D N -2.800 117.659 120.400 0.098 0.000 2.672 28 D HA 0.086 4.729 4.640 0.005 0.000 0.287 28 D C -0.652 175.677 176.300 0.049 0.000 1.559 28 D CA -0.247 53.795 54.000 0.070 0.000 0.796 28 D CB -0.346 40.479 40.800 0.041 0.000 1.181 28 D HN -0.266 nan 8.370 nan 0.000 0.458 29 T N 0.100 114.688 114.554 0.057 0.000 2.848 29 T HA 0.467 4.820 4.350 0.005 0.000 0.285 29 T C -0.564 174.166 174.700 0.050 0.000 0.995 29 T CA -0.664 61.462 62.100 0.044 0.000 0.970 29 T CB 2.203 71.093 68.868 0.036 0.000 0.976 29 T HN -0.065 nan 8.240 nan 0.000 0.441 30 V N 4.372 124.312 119.914 0.044 0.000 2.320 30 V HA 0.125 4.247 4.120 0.005 0.000 0.265 30 V C 1.377 177.500 176.094 0.048 0.000 1.048 30 V CA -0.226 62.103 62.300 0.048 0.000 0.865 30 V CB 0.774 32.622 31.823 0.041 0.000 1.043 30 V HN 0.873 nan 8.190 nan 0.000 0.474 31 V N 3.759 123.707 119.914 0.057 0.000 2.427 31 V HA 0.080 4.203 4.120 0.005 0.000 0.248 31 V C 1.043 177.176 176.094 0.066 0.000 1.051 31 V CA 1.883 64.221 62.300 0.063 0.000 1.048 31 V CB -0.254 31.617 31.823 0.079 0.000 0.666 31 V HN 0.930 nan 8.190 nan 0.000 0.456 32 A N -1.286 121.578 122.820 0.073 0.000 2.604 32 A HA 0.715 5.037 4.320 0.005 0.000 0.295 32 A C -1.493 176.128 177.584 0.062 0.000 1.067 32 A CA -0.378 51.699 52.037 0.067 0.000 0.683 32 A CB 1.989 21.038 19.000 0.081 0.000 1.281 32 A HN -0.013 nan 8.150 nan 0.000 0.407 33 V N 0.457 120.400 119.914 0.048 0.000 2.577 33 V HA 0.796 4.919 4.120 0.005 0.000 0.303 33 V C 0.141 176.256 176.094 0.035 0.000 1.042 33 V CA -0.073 62.254 62.300 0.044 0.000 0.872 33 V CB 1.496 33.342 31.823 0.037 0.000 0.998 33 V HN 1.688 nan 8.190 nan 0.000 0.423 34 A N 3.445 126.286 122.820 0.036 0.000 2.365 34 A HA 1.007 5.330 4.320 0.005 0.000 0.318 34 A C -0.182 177.418 177.584 0.028 0.000 1.091 34 A CA -0.235 51.817 52.037 0.025 0.000 0.763 34 A CB 1.979 20.988 19.000 0.015 0.000 1.248 34 A HN 1.232 nan 8.150 nan 0.000 0.442 35 S N 1.432 117.146 115.700 0.024 0.000 2.661 35 S HA 0.961 5.433 4.470 0.005 0.000 0.285 35 S C -1.021 173.597 174.600 0.030 0.000 1.138 35 S CA -0.933 57.286 58.200 0.031 0.000 0.855 35 S CB 1.819 65.040 63.200 0.034 0.000 1.136 35 S HN 0.738 nan 8.310 nan 0.000 0.484 36 R N 0.339 120.863 120.500 0.041 0.000 2.594 36 R HA 0.539 4.882 4.340 0.005 0.000 0.265 36 R C -3.388 172.949 176.300 0.062 0.000 1.070 36 R CA -1.745 54.381 56.100 0.044 0.000 0.909 36 R CB 1.475 31.800 30.300 0.042 0.000 1.243 36 R HN 0.495 nan 8.270 nan 0.000 0.455 37 P HA 0.252 nan 4.420 nan 0.000 0.271 37 P C -0.574 176.782 177.300 0.094 0.000 1.218 37 P CA 0.004 63.146 63.100 0.070 0.000 0.780 37 P CB 0.702 32.436 31.700 0.055 0.000 0.901 38 T N 1.166 115.788 114.554 0.115 0.000 2.876 38 T HA 0.420 4.773 4.350 0.005 0.000 0.289 38 T C -0.513 174.264 174.700 0.129 0.000 1.014 38 T CA -0.474 61.720 62.100 0.156 0.000 0.986 38 T CB 0.973 69.982 68.868 0.234 0.000 1.021 38 T HN 0.158 nan 8.240 nan 0.000 0.458 39 T N 3.278 117.900 114.554 0.114 0.000 2.743 39 T HA 0.398 4.751 4.350 0.005 0.000 0.293 39 T C -0.369 174.390 174.700 0.098 0.000 0.945 39 T CA -0.553 61.598 62.100 0.085 0.000 1.030 39 T CB 0.504 69.404 68.868 0.054 0.000 0.912 39 T HN 0.247 nan 8.240 nan 0.000 0.483 40 L N 4.343 125.622 121.223 0.093 0.000 2.260 40 L HA 0.439 4.782 4.340 0.005 0.000 0.289 40 L C 0.079 176.991 176.870 0.070 0.000 1.057 40 L CA 0.144 55.040 54.840 0.093 0.000 0.811 40 L CB 0.234 42.347 42.059 0.090 0.000 1.184 40 L HN 0.566 nan 8.230 nan 0.000 0.429 41 S N 2.414 118.153 115.700 0.066 0.000 2.617 41 S HA 0.744 5.216 4.470 0.005 0.000 0.283 41 S C -0.324 174.323 174.600 0.079 0.000 1.189 41 S CA -0.574 57.659 58.200 0.055 0.000 1.036 41 S CB 1.416 64.641 63.200 0.042 0.000 1.014 41 S HN 0.713 nan 8.310 nan 0.000 0.522 42 S N 0.667 116.404 115.700 0.061 0.000 2.620 42 S HA 0.399 4.872 4.470 0.005 0.000 0.244 42 S C -2.703 171.878 174.600 -0.033 0.000 1.192 42 S CA -1.044 57.213 58.200 0.095 0.000 1.148 42 S CB 1.203 64.469 63.200 0.109 0.000 1.106 42 S HN 0.338 nan 8.310 nan 0.000 0.474 43 P HA 0.106 nan 4.420 nan 0.000 0.221 43 P C -0.322 176.384 177.300 -0.990 0.000 1.150 43 P CA 1.169 63.979 63.100 -0.483 0.000 0.800 43 P CB 0.008 31.447 31.700 -0.436 0.000 0.787 44 H N -3.408 115.306 119.070 -0.592 0.000 2.985 44 H HA 0.382 4.941 4.556 0.005 0.000 0.360 44 H C -2.587 172.543 175.328 -0.330 0.000 1.221 44 H CA -2.534 53.134 56.048 -0.632 0.000 1.121 44 H CB 0.559 29.663 29.762 -1.097 0.000 1.854 44 H HN -0.294 nan 8.280 nan 0.000 0.551 45 P HA -0.008 nan 4.420 nan 0.000 0.264 45 P C 0.943 178.339 177.300 0.161 0.000 1.183 45 P CA 1.673 64.805 63.100 0.052 0.000 0.763 45 P CB 0.343 32.068 31.700 0.042 0.000 0.807 46 G N 0.826 109.726 108.800 0.167 0.000 2.212 46 G HA2 -0.235 3.728 3.960 0.005 0.000 0.266 46 G HA3 -0.235 3.728 3.960 0.005 0.000 0.266 46 G C -0.339 174.718 174.900 0.262 0.000 0.978 46 G CA -0.469 44.740 45.100 0.182 0.000 0.632 46 G HN 0.353 nan 8.290 nan 0.000 0.537 47 W N 0.997 122.280 121.300 -0.029 0.000 2.216 47 W HA 0.664 5.326 4.660 0.004 0.000 0.326 47 W C 0.402 176.892 176.519 -0.047 0.000 1.319 47 W CA -0.122 57.186 57.345 -0.061 0.000 1.213 47 W CB 1.052 30.490 29.460 -0.037 0.000 1.171 47 W HN 0.774 nan 8.180 nan 0.000 0.557 48 A N 3.585 126.444 122.820 0.065 0.000 2.457 48 A HA 0.642 4.964 4.320 0.005 0.000 0.283 48 A C -0.747 176.852 177.584 0.025 0.000 1.166 48 A CA -0.698 51.372 52.037 0.055 0.000 0.740 48 A CB 0.719 19.736 19.000 0.029 0.000 1.181 48 A HN 0.613 nan 8.150 nan 0.000 0.446 49 E N 1.535 121.773 120.200 0.064 0.000 2.343 49 E HA 0.559 4.912 4.350 0.005 0.000 0.270 49 E C -1.048 175.586 176.600 0.056 0.000 0.895 49 E CA -0.711 55.714 56.400 0.042 0.000 0.767 49 E CB 2.537 32.266 29.700 0.048 0.000 1.248 49 E HN 0.766 nan 8.360 nan 0.000 0.440 50 E N 0.814 121.030 120.200 0.028 0.000 2.392 50 E HA 0.245 4.598 4.350 0.005 0.000 0.269 50 E C -1.330 175.095 176.600 -0.292 0.000 0.924 50 E CA -0.912 55.462 56.400 -0.044 0.000 0.784 50 E CB 1.843 31.642 29.700 0.165 0.000 1.292 50 E HN 0.259 nan 8.360 nan 0.000 0.447 51 D N 1.480 121.654 120.400 -0.376 0.000 2.412 51 D HA 0.206 4.849 4.640 0.005 0.000 0.224 51 D C -1.916 173.935 176.300 -0.749 0.000 1.093 51 D CA -2.508 51.244 54.000 -0.412 0.000 0.850 51 D CB 1.415 42.090 40.800 -0.209 0.000 1.046 51 D HN -0.015 nan 8.370 nan 0.000 0.507 52 P HA -0.052 nan 4.420 nan 0.000 0.222 52 P C 0.860 178.063 177.300 -0.161 0.000 1.147 52 P CA 0.753 63.290 63.100 -0.939 0.000 0.790 52 P CB 0.274 31.526 31.700 -0.747 0.000 0.780 53 A N -0.433 122.326 122.820 -0.102 0.000 2.014 53 A HA -0.198 4.125 4.320 0.005 0.000 0.218 53 A C 2.343 180.009 177.584 0.136 0.000 1.163 53 A CA 1.154 53.261 52.037 0.117 0.000 0.652 53 A CB -1.098 17.944 19.000 0.069 0.000 0.808 53 A HN 0.159 nan 8.150 nan 0.000 0.449 54 Q N -1.132 118.669 119.800 0.002 0.000 2.119 54 Q HA -0.173 4.170 4.340 0.005 0.000 0.201 54 Q C 1.775 177.905 176.000 0.216 0.000 0.972 54 Q CA 1.396 57.237 55.803 0.064 0.000 0.847 54 Q CB -0.176 28.568 28.738 0.011 0.000 0.903 54 Q HN 0.834 nan 8.270 nan 0.000 0.433 55 W N 0.155 121.565 121.300 0.185 0.000 2.318 55 W HA -0.277 4.386 4.660 0.004 0.000 0.313 55 W C 2.101 178.766 176.519 0.243 0.000 1.221 55 W CA 0.450 57.918 57.345 0.205 0.000 1.266 55 W CB -1.601 28.008 29.460 0.247 0.000 1.150 55 W HN 0.450 nan 8.180 nan 0.000 0.496 56 W N 1.384 122.870 121.300 0.311 0.000 2.381 56 W HA -0.211 4.452 4.660 0.004 0.000 0.301 56 W C 1.532 178.124 176.519 0.123 0.000 1.205 56 W CA 1.902 59.358 57.345 0.184 0.000 1.285 56 W CB -0.506 29.040 29.460 0.143 0.000 1.133 56 W HN -0.087 nan 8.180 nan 0.000 0.521 57 D N -0.049 120.372 120.400 0.035 0.000 2.097 57 D HA -0.209 4.434 4.640 0.005 0.000 0.195 57 D C 1.888 178.127 176.300 -0.101 0.000 0.989 57 D CA 1.855 55.788 54.000 -0.111 0.000 0.827 57 D CB -0.517 40.288 40.800 0.008 0.000 0.966 57 D HN 0.177 nan 8.370 nan 0.000 0.456 58 N N -0.330 118.383 118.700 0.021 0.000 2.061 58 N HA -0.241 4.502 4.740 0.005 0.000 0.193 58 N C 1.774 177.268 175.510 -0.026 0.000 1.030 58 N CA 1.061 54.131 53.050 0.033 0.000 0.856 58 N CB -0.109 38.453 38.487 0.126 0.000 1.023 58 N HN 0.132 nan 8.380 nan 0.000 0.424 59 A N 1.641 124.441 122.820 -0.034 0.000 1.902 59 A HA -0.133 4.190 4.320 0.005 0.000 0.217 59 A C 2.135 179.577 177.584 -0.237 0.000 1.181 59 A CA 1.164 53.151 52.037 -0.083 0.000 0.623 59 A CB -0.467 18.541 19.000 0.013 0.000 0.818 59 A HN 0.234 nan 8.150 nan 0.000 0.443 60 R N -0.527 119.684 120.500 -0.483 0.000 2.083 60 R HA -0.152 4.191 4.340 0.005 0.000 0.237 60 R C 2.496 178.658 176.300 -0.230 0.000 1.137 60 R CA 1.404 57.234 56.100 -0.450 0.000 0.951 60 R CB -0.517 29.438 30.300 -0.576 0.000 0.851 60 R HN 0.529 nan 8.270 nan 0.000 0.434 61 A N 0.298 123.013 122.820 -0.175 0.000 1.877 61 A HA -0.124 4.199 4.320 0.005 0.000 0.216 61 A C 2.336 179.874 177.584 -0.076 0.000 1.186 61 A CA 1.435 53.409 52.037 -0.105 0.000 0.620 61 A CB -0.580 18.377 19.000 -0.071 0.000 0.822 61 A HN 0.173 nan 8.150 nan 0.000 0.443 62 V N -0.087 119.793 119.914 -0.056 0.000 2.453 62 V HA -0.161 3.962 4.120 0.005 0.000 0.247 62 V C 2.525 178.612 176.094 -0.011 0.000 1.048 62 V CA 1.683 63.970 62.300 -0.021 0.000 1.049 62 V CB -0.448 31.376 31.823 0.002 0.000 0.672 62 V HN 0.567 nan 8.190 nan 0.000 0.457 63 L N -0.130 121.083 121.223 -0.016 0.000 2.005 63 L HA -0.123 4.220 4.340 0.005 0.000 0.207 63 L C 2.769 179.625 176.870 -0.023 0.000 1.072 63 L CA 1.699 56.560 54.840 0.034 0.000 0.744 63 L CB -0.950 41.136 42.059 0.045 0.000 0.895 63 L HN 0.346 nan 8.230 nan 0.000 0.433 64 A N -0.173 122.596 122.820 -0.086 0.000 1.917 64 A HA -0.296 4.027 4.320 0.005 0.000 0.219 64 A C 2.274 179.749 177.584 -0.181 0.000 1.182 64 A CA 2.130 54.074 52.037 -0.154 0.000 0.633 64 A CB -0.635 18.286 19.000 -0.131 0.000 0.819 64 A HN 0.519 nan 8.150 nan 0.000 0.448 65 E N -0.823 119.308 120.200 -0.115 0.000 2.153 65 E HA -0.175 4.177 4.350 0.005 0.000 0.194 65 E C 1.790 178.329 176.600 -0.103 0.000 0.988 65 E CA 0.878 57.219 56.400 -0.098 0.000 0.811 65 E CB -0.137 29.530 29.700 -0.055 0.000 0.746 65 E HN 0.392 nan 8.360 nan 0.000 0.466 66 L N 1.697 122.877 121.223 -0.071 0.000 2.012 66 L HA -0.211 4.132 4.340 0.005 0.000 0.210 66 L C 2.408 179.182 176.870 -0.159 0.000 1.073 66 L CA 1.852 56.691 54.840 -0.003 0.000 0.748 66 L CB -0.652 41.509 42.059 0.171 0.000 0.891 66 L HN 0.061 nan 8.230 nan 0.000 0.431 67 K N -1.674 118.358 120.400 -0.615 0.000 2.097 67 K HA -0.155 4.168 4.320 0.005 0.000 0.206 67 K C 1.942 178.217 176.600 -0.542 0.000 1.049 67 K CA 1.666 57.243 56.287 -1.183 0.000 0.933 67 K CB -0.007 31.517 32.500 -1.627 0.000 0.717 67 K HN 0.280 nan 8.250 nan 0.000 0.442 68 T N -0.054 114.297 114.554 -0.339 0.000 2.896 68 T HA -0.057 4.295 4.350 0.005 0.000 0.263 68 T C 1.630 176.255 174.700 -0.123 0.000 1.050 68 T CA 1.476 63.455 62.100 -0.202 0.000 1.140 68 T CB -0.063 68.713 68.868 -0.154 0.000 0.877 68 T HN 0.306 nan 8.240 nan 0.000 0.457 69 T N 1.624 116.120 114.554 -0.097 0.000 2.732 69 T HA 0.072 4.424 4.350 0.005 0.000 0.261 69 T C 2.275 176.967 174.700 -0.012 0.000 1.040 69 T CA 1.144 63.221 62.100 -0.039 0.000 1.145 69 T CB -0.374 68.485 68.868 -0.015 0.000 0.866 69 T HN 0.368 nan 8.240 nan 0.000 0.427 70 A N 0.443 123.269 122.820 0.010 0.000 2.014 70 A HA 0.490 4.813 4.320 0.005 0.000 0.218 70 A C 1.365 178.979 177.584 0.050 0.000 1.163 70 A CA 1.016 53.094 52.037 0.070 0.000 0.652 70 A CB -0.964 18.146 19.000 0.183 0.000 0.808 70 A HN 0.901 nan 8.150 nan 0.000 0.449 71 G N -1.365 107.428 108.800 -0.012 0.000 2.733 71 G HA2 -0.153 3.810 3.960 0.005 0.000 0.686 71 G HA3 -0.153 3.810 3.960 0.005 0.000 0.686 71 G C 0.083 175.002 174.900 0.032 0.000 1.373 71 G CA 0.216 45.304 45.100 -0.020 0.000 0.838 71 G HN 0.269 nan 8.290 nan 0.000 0.588 72 E N -0.035 120.172 120.200 0.012 0.000 2.150 72 E HA -0.051 4.302 4.350 0.005 0.000 0.193 72 E C 2.773 179.456 176.600 0.139 0.000 0.985 72 E CA 2.093 58.544 56.400 0.086 0.000 0.814 72 E CB -0.096 29.625 29.700 0.036 0.000 0.752 72 E HN 0.956 nan 8.360 nan 0.000 0.466 73 S N -0.562 115.190 115.700 0.087 0.000 2.515 73 S HA -0.106 4.367 4.470 0.005 0.000 0.231 73 S C 1.109 175.763 174.600 0.089 0.000 0.987 73 S CA 1.156 59.401 58.200 0.075 0.000 0.936 73 S CB 0.133 63.361 63.200 0.046 0.000 0.766 73 S HN 0.137 nan 8.310 nan 0.000 0.528 74 D N 0.065 120.540 120.400 0.125 0.000 2.650 74 D HA 0.166 4.809 4.640 0.005 0.000 0.265 74 D C -1.163 175.267 176.300 0.217 0.000 1.339 74 D CA -0.557 53.519 54.000 0.127 0.000 0.816 74 D CB -0.031 40.826 40.800 0.096 0.000 1.091 74 D HN 0.555 nan 8.370 nan 0.000 0.483 75 W N 2.577 123.876 121.300 -0.001 0.000 2.282 75 W HA 0.291 4.953 4.660 0.004 0.000 0.322 75 W C -0.648 175.870 176.519 -0.003 0.000 1.011 75 W CA -0.784 56.560 57.345 -0.002 0.000 1.392 75 W CB 0.450 29.909 29.460 -0.002 0.000 1.215 75 W HN 0.031 nan 8.180 nan 0.000 0.394 76 R N 4.910 125.223 120.500 -0.310 0.000 2.593 76 R HA 0.254 4.597 4.340 0.005 0.000 0.258 76 R C -2.830 173.229 176.300 -0.402 0.000 1.410 76 R CA -1.291 54.612 56.100 -0.327 0.000 1.537 76 R CB 0.224 30.442 30.300 -0.137 0.000 1.362 76 R HN 0.019 nan 8.270 nan 0.000 0.734 77 P HA 0.080 nan 4.420 nan 0.000 0.271 77 P C 0.184 177.305 177.300 -0.298 0.000 1.216 77 P CA 0.293 63.096 63.100 -0.496 0.000 0.771 77 P CB 1.609 32.877 31.700 -0.721 0.000 0.864 78 G N 1.361 110.049 108.800 -0.188 0.000 3.079 78 G HA2 0.475 4.437 3.960 0.005 0.000 0.233 78 G HA3 0.475 4.437 3.960 0.005 0.000 0.233 78 G C 0.389 175.258 174.900 -0.051 0.000 1.062 78 G CA 0.132 45.161 45.100 -0.118 0.000 0.809 78 G HN 0.836 nan 8.290 nan 0.000 0.535 79 G N -0.521 108.261 108.800 -0.029 0.000 2.547 79 G HA2 0.484 4.446 3.960 0.005 0.000 0.291 79 G HA3 0.484 4.446 3.960 0.005 0.000 0.291 79 G C -2.070 172.876 174.900 0.077 0.000 1.471 79 G CA -0.618 44.532 45.100 0.084 0.000 0.798 79 G HN 0.488 nan 8.290 nan 0.000 0.504 80 I N -0.276 120.377 120.570 0.138 0.000 2.686 80 I HA 0.719 4.892 4.170 0.005 0.000 0.295 80 I C -0.923 175.306 176.117 0.186 0.000 1.114 80 I CA -0.885 60.483 61.300 0.113 0.000 1.038 80 I CB 1.887 39.931 38.000 0.073 0.000 1.238 80 I HN 0.767 nan 8.210 nan 0.000 0.420 81 C N 7.465 126.845 119.300 0.133 0.000 2.455 81 C HA 0.790 5.253 4.460 0.005 0.000 0.320 81 C C -0.758 174.276 174.990 0.072 0.000 1.226 81 C CA -0.270 58.827 59.018 0.131 0.000 1.569 81 C CB 1.047 28.848 27.740 0.101 0.000 2.200 81 C HN 0.571 nan 8.230 nan 0.000 0.491 82 V N 5.516 125.467 119.914 0.062 0.000 2.398 82 V HA 0.641 4.763 4.120 0.005 0.000 0.286 82 V C 0.512 176.541 176.094 -0.108 0.000 1.026 82 V CA -0.009 62.310 62.300 0.033 0.000 0.868 82 V CB 1.531 33.415 31.823 0.102 0.000 0.982 82 V HN 1.012 nan 8.190 nan 0.000 0.443 83 T N 2.729 117.187 114.554 -0.160 0.000 2.910 83 T HA 0.940 5.293 4.350 0.005 0.000 0.287 83 T C -0.147 174.445 174.700 -0.180 0.000 1.050 83 T CA 0.234 62.094 62.100 -0.400 0.000 1.011 83 T CB 1.889 70.612 68.868 -0.241 0.000 1.195 83 T HN 1.241 nan 8.240 nan 0.000 0.540 87 P HA 0.480 nan 4.420 nan 0.000 0.287 87 P C -0.728 176.650 177.300 0.130 0.000 1.294 87 P CA 0.003 63.112 63.100 0.016 0.000 0.776 87 P CB 1.481 32.976 31.700 -0.342 0.000 0.889 88 A N 3.428 126.419 122.820 0.286 0.000 2.302 88 A HA 0.518 4.841 4.320 0.005 0.000 0.285 88 A C -0.342 177.471 177.584 0.382 0.000 1.105 88 A CA -0.472 51.718 52.037 0.254 0.000 0.816 88 A CB 0.618 19.755 19.000 0.229 0.000 1.067 88 A HN 0.365 nan 8.150 nan 0.000 0.489 89 V N 2.548 122.618 119.914 0.260 0.000 2.334 89 V HA 0.379 4.502 4.120 0.005 0.000 0.281 89 V C -0.490 175.707 176.094 0.170 0.000 1.016 89 V CA -0.334 62.126 62.300 0.266 0.000 0.832 89 V CB 1.073 32.995 31.823 0.165 0.000 0.999 89 V HN 0.605 nan 8.190 nan 0.000 0.439 90 V N 6.786 126.782 119.914 0.138 0.000 2.459 90 V HA 0.517 4.640 4.120 0.005 0.000 0.295 90 V C -0.245 175.836 176.094 -0.021 0.000 1.029 90 V CA -0.563 61.738 62.300 0.002 0.000 0.874 90 V CB 1.897 33.685 31.823 -0.058 0.000 0.985 90 V HN 0.641 nan 8.190 nan 0.000 0.438 91 L N 6.172 127.364 121.223 -0.053 0.000 2.305 91 L HA 0.616 4.958 4.340 0.005 0.000 0.284 91 L C -0.694 176.127 176.870 -0.081 0.000 1.013 91 L CA -0.328 54.489 54.840 -0.037 0.000 0.819 91 L CB 1.305 43.367 42.059 0.004 0.000 1.227 91 L HN 0.393 nan 8.230 nan 0.000 0.417 92 L N 2.415 123.597 121.223 -0.070 0.000 2.334 92 L HA 0.481 4.824 4.340 0.005 0.000 0.276 92 L C -0.121 176.721 176.870 -0.048 0.000 1.014 92 L CA -0.969 53.834 54.840 -0.062 0.000 0.815 92 L CB 1.779 43.813 42.059 -0.042 0.000 1.268 92 L HN 0.589 nan 8.230 nan 0.000 0.428 93 D N 0.176 120.553 120.400 -0.039 0.000 2.440 93 D HA -0.006 4.637 4.640 0.005 0.000 0.269 93 D C 0.514 176.795 176.300 -0.032 0.000 1.249 93 D CA -0.364 53.615 54.000 -0.035 0.000 1.055 93 D CB 0.416 41.201 40.800 -0.025 0.000 1.104 93 D HN 0.630 nan 8.370 nan 0.000 0.561 94 D N -1.402 118.981 120.400 -0.029 0.000 2.312 94 D HA -0.130 4.513 4.640 0.005 0.000 0.211 94 D C 1.364 177.650 176.300 -0.024 0.000 0.964 94 D CA 0.512 54.495 54.000 -0.028 0.000 0.877 94 D CB -0.141 40.644 40.800 -0.025 0.000 0.924 94 D HN 0.081 nan 8.370 nan 0.000 0.515 95 R N -0.352 120.136 120.500 -0.020 0.000 2.317 95 R HA 0.265 4.608 4.340 0.005 0.000 0.208 95 R C 1.410 177.699 176.300 -0.017 0.000 0.914 95 R CA 0.521 56.610 56.100 -0.018 0.000 1.060 95 R CB -0.213 30.079 30.300 -0.014 0.000 1.015 95 R HN 0.389 nan 8.270 nan 0.000 0.498 96 G N -0.162 108.628 108.800 -0.016 0.000 2.159 96 G HA2 -0.297 3.666 3.960 0.005 0.000 0.256 96 G HA3 -0.297 3.666 3.960 0.005 0.000 0.256 96 G C 0.247 175.152 174.900 0.009 0.000 0.977 96 G CA 0.295 45.393 45.100 -0.004 0.000 0.652 96 G HN 0.554 nan 8.290 nan 0.000 0.531 97 A N -0.030 122.785 122.820 -0.009 0.000 2.354 97 A HA 0.711 5.034 4.320 0.005 0.000 0.269 97 A C 0.782 178.337 177.584 -0.048 0.000 1.109 97 A CA 0.113 52.141 52.037 -0.016 0.000 0.800 97 A CB 1.025 20.017 19.000 -0.014 0.000 1.045 97 A HN 1.192 nan 8.150 nan 0.000 0.489 98 V N 4.157 124.022 119.914 -0.083 0.000 2.493 98 V HA -0.060 4.062 4.120 0.005 0.000 0.292 98 V C 1.407 177.453 176.094 -0.081 0.000 1.016 98 V CA 0.499 62.715 62.300 -0.140 0.000 1.097 98 V CB 0.058 31.755 31.823 -0.210 0.000 0.947 98 V HN 0.864 nan 8.190 nan 0.000 0.479 99 L N 4.905 126.088 121.223 -0.066 0.000 2.095 99 L HA 0.110 4.453 4.340 0.005 0.000 0.204 99 L C 1.216 178.082 176.870 -0.007 0.000 1.080 99 L CA 1.229 56.056 54.840 -0.022 0.000 0.759 99 L CB -0.155 41.902 42.059 -0.004 0.000 0.914 99 L HN 0.823 nan 8.230 nan 0.000 0.439 100 R N -1.761 118.726 120.500 -0.021 0.000 2.747 100 R HA 0.476 4.819 4.340 0.005 0.000 0.272 100 R C -2.952 173.321 176.300 -0.046 0.000 1.032 100 R CA -1.718 54.383 56.100 0.002 0.000 0.896 100 R CB 0.155 30.490 30.300 0.058 0.000 1.253 100 R HN -0.356 nan 8.270 nan 0.000 0.461 101 P HA -0.010 nan 4.420 nan 0.000 0.269 101 P C -0.491 176.755 177.300 -0.091 0.000 1.215 101 P CA -0.176 62.873 63.100 -0.084 0.000 0.780 101 P CB 0.803 32.483 31.700 -0.032 0.000 0.898 102 S N 2.025 117.640 115.700 -0.142 0.000 2.549 102 S HA 0.149 4.622 4.470 0.005 0.000 0.286 102 S C 0.032 174.629 174.600 -0.006 0.000 1.314 102 S CA -0.422 57.749 58.200 -0.049 0.000 1.062 102 S CB -0.681 62.518 63.200 -0.002 0.000 0.865 102 S HN 0.193 nan 8.310 nan 0.000 0.498 103 I N 5.431 125.994 120.570 -0.011 0.000 2.312 103 I HA 0.215 4.388 4.170 0.005 0.000 0.291 103 I C 0.565 176.684 176.117 0.003 0.000 1.031 103 I CA -0.796 60.456 61.300 -0.079 0.000 1.293 103 I CB 1.012 38.890 38.000 -0.203 0.000 1.403 103 I HN 0.577 nan 8.210 nan 0.000 0.484 104 Q N 4.684 124.494 119.800 0.017 0.000 2.471 104 Q HA 0.037 4.379 4.340 0.005 0.000 0.223 104 Q C 0.840 176.835 176.000 -0.009 0.000 1.045 104 Q CA -0.306 55.530 55.803 0.054 0.000 0.956 104 Q CB 0.537 29.320 28.738 0.076 0.000 1.249 104 Q HN 0.559 nan 8.270 nan 0.000 0.549 105 Q N -0.152 119.647 119.800 -0.002 0.000 2.230 105 Q HA -0.082 4.261 4.340 0.005 0.000 0.202 105 Q C 1.431 177.394 176.000 -0.063 0.000 0.963 105 Q CA 1.599 57.371 55.803 -0.051 0.000 0.866 105 Q CB -0.628 28.071 28.738 -0.064 0.000 0.931 105 Q HN 0.615 nan 8.270 nan 0.000 0.452 106 S N 0.048 115.728 115.700 -0.034 0.000 2.603 106 S HA -0.078 4.395 4.470 0.005 0.000 0.229 106 S C 0.623 175.198 174.600 -0.042 0.000 0.972 106 S CA 0.096 58.279 58.200 -0.028 0.000 0.935 106 S CB -0.430 62.771 63.200 0.003 0.000 0.769 106 S HN 0.431 nan 8.310 nan 0.000 0.536 107 D N 1.453 121.807 120.400 -0.078 0.000 2.443 107 D HA 0.182 4.825 4.640 0.005 0.000 0.239 107 D C 0.598 176.810 176.300 -0.146 0.000 1.136 107 D CA 0.484 54.405 54.000 -0.131 0.000 0.879 107 D CB 0.922 41.580 40.800 -0.236 0.000 1.195 107 D HN 0.337 nan 8.370 nan 0.000 0.443 108 G N 2.730 111.452 108.800 -0.131 0.000 3.863 108 G HA2 -0.024 3.938 3.960 0.005 0.000 0.290 108 G HA3 -0.024 3.938 3.960 0.005 0.000 0.290 108 G C 1.271 176.090 174.900 -0.136 0.000 1.018 108 G CA -0.366 44.673 45.100 -0.101 0.000 0.824 108 G HN 0.587 nan 8.290 nan 0.000 0.507 109 R N -0.608 119.700 120.500 -0.321 0.000 2.275 109 R HA 0.052 4.395 4.340 0.005 0.000 0.199 109 R C 1.164 177.277 176.300 -0.312 0.000 0.989 109 R CA 1.022 56.892 56.100 -0.384 0.000 1.016 109 R CB -0.611 29.100 30.300 -0.982 0.000 0.918 109 R HN 0.343 nan 8.270 nan 0.000 0.473 110 C N -0.455 118.689 119.300 -0.260 0.000 2.422 110 C HA 0.604 5.067 4.460 0.005 0.000 0.301 110 C C 1.695 176.680 174.990 -0.008 0.000 1.444 110 C CA -0.902 58.070 59.018 -0.076 0.000 1.771 110 C CB -0.161 27.519 27.740 -0.100 0.000 2.834 110 C HN 0.459 nan 8.230 nan 0.000 0.545 111 G N 1.646 110.444 108.800 -0.004 0.000 2.446 111 G HA2 -0.180 3.782 3.960 0.005 0.000 0.217 111 G HA3 -0.180 3.782 3.960 0.005 0.000 0.217 111 G C 1.206 176.114 174.900 0.014 0.000 1.168 111 G CA 1.466 46.561 45.100 -0.009 0.000 0.771 111 G HN 0.546 nan 8.290 nan 0.000 0.551 112 D N 1.240 121.675 120.400 0.058 0.000 2.104 112 D HA -0.116 4.527 4.640 0.005 0.000 0.194 112 D C 2.533 178.858 176.300 0.042 0.000 0.994 112 D CA 1.402 55.436 54.000 0.056 0.000 0.830 112 D CB -0.249 40.608 40.800 0.094 0.000 0.959 112 D HN 0.457 nan 8.370 nan 0.000 0.452 113 E N 0.916 121.157 120.200 0.068 0.000 2.150 113 E HA -0.078 4.275 4.350 0.005 0.000 0.193 113 E C 2.436 179.024 176.600 -0.019 0.000 0.985 113 E CA 0.248 56.669 56.400 0.035 0.000 0.814 113 E CB -0.736 29.004 29.700 0.066 0.000 0.752 113 E HN 0.186 nan 8.360 nan 0.000 0.466 114 V N 2.183 122.078 119.914 -0.031 0.000 2.295 114 V HA -0.245 3.878 4.120 0.005 0.000 0.246 114 V C 2.599 178.652 176.094 -0.068 0.000 1.049 114 V CA 1.911 64.169 62.300 -0.070 0.000 1.024 114 V CB -0.933 30.846 31.823 -0.074 0.000 0.648 114 V HN 0.362 nan 8.190 nan 0.000 0.447 115 A N -0.071 122.722 122.820 -0.044 0.000 1.917 115 A HA -0.303 4.020 4.320 0.005 0.000 0.219 115 A C 2.109 179.670 177.584 -0.038 0.000 1.182 115 A CA 2.260 54.273 52.037 -0.039 0.000 0.633 115 A CB -0.529 18.456 19.000 -0.025 0.000 0.819 115 A HN 0.701 nan 8.150 nan 0.000 0.448 116 E N -0.130 120.052 120.200 -0.029 0.000 2.051 116 E HA -0.153 4.200 4.350 0.005 0.000 0.192 116 E C 2.023 178.598 176.600 -0.043 0.000 0.991 116 E CA 1.162 57.547 56.400 -0.025 0.000 0.799 116 E CB -0.401 29.293 29.700 -0.010 0.000 0.748 116 E HN 0.614 nan 8.360 nan 0.000 0.449 117 L N 0.640 121.820 121.223 -0.071 0.000 1.990 117 L HA -0.242 4.101 4.340 0.005 0.000 0.213 117 L C 2.808 179.604 176.870 -0.122 0.000 1.072 117 L CA 1.423 56.194 54.840 -0.114 0.000 0.755 117 L CB -0.340 41.614 42.059 -0.175 0.000 0.889 117 L HN 0.051 nan 8.230 nan 0.000 0.432 118 R N -0.315 120.113 120.500 -0.119 0.000 2.105 118 R HA -0.165 4.178 4.340 0.005 0.000 0.239 118 R C 2.193 178.457 176.300 -0.061 0.000 1.135 118 R CA 1.461 57.500 56.100 -0.103 0.000 0.967 118 R CB -0.258 29.990 30.300 -0.087 0.000 0.861 118 R HN 0.407 nan 8.270 nan 0.000 0.442 119 A N -0.212 122.580 122.820 -0.045 0.000 2.067 119 A HA -0.102 4.220 4.320 0.005 0.000 0.217 119 A C 1.867 179.442 177.584 -0.016 0.000 1.156 119 A CA 1.200 53.221 52.037 -0.026 0.000 0.683 119 A CB -0.252 18.736 19.000 -0.020 0.000 0.808 119 A HN 0.503 nan 8.150 nan 0.000 0.455 120 E N -0.010 120.178 120.200 -0.020 0.000 2.340 120 E HA 0.104 4.457 4.350 0.005 0.000 0.194 120 E C 0.302 176.905 176.600 0.006 0.000 0.996 120 E CA 0.796 57.195 56.400 -0.001 0.000 0.869 120 E CB 0.287 29.992 29.700 0.009 0.000 0.835 120 E HN 0.461 nan 8.360 nan 0.000 0.493 121 V N -1.160 118.747 119.914 -0.012 0.000 3.074 121 V HA 0.390 4.513 4.120 0.005 0.000 0.314 121 V C -0.554 175.550 176.094 0.016 0.000 1.117 121 V CA -1.196 61.115 62.300 0.017 0.000 1.014 121 V CB 1.672 33.518 31.823 0.039 0.000 1.057 121 V HN -0.078 nan 8.190 nan 0.000 0.438 122 D N 1.405 121.837 120.400 0.054 0.000 2.344 122 D HA 0.261 4.904 4.640 0.005 0.000 0.253 122 D C 1.152 177.499 176.300 0.078 0.000 1.255 122 D CA 0.559 54.590 54.000 0.052 0.000 0.894 122 D CB 1.392 42.225 40.800 0.056 0.000 1.067 122 D HN 0.625 nan 8.370 nan 0.000 0.492 123 S N 2.867 118.588 115.700 0.035 0.000 2.469 123 S HA -0.139 4.334 4.470 0.005 0.000 0.238 123 S C 1.288 175.953 174.600 0.108 0.000 0.998 123 S CA 0.784 59.007 58.200 0.037 0.000 0.957 123 S CB 0.191 63.383 63.200 -0.013 0.000 0.764 123 S HN 0.479 nan 8.310 nan 0.000 0.514 124 E N 1.345 121.597 120.200 0.085 0.000 2.079 124 E HA 0.276 4.629 4.350 0.005 0.000 0.191 124 E C 2.296 178.946 176.600 0.083 0.000 0.961 124 E CA 0.912 57.355 56.400 0.072 0.000 0.823 124 E CB -0.890 28.832 29.700 0.038 0.000 0.789 124 E HN 0.331 nan 8.360 nan 0.000 0.459 125 A N 0.661 123.530 122.820 0.081 0.000 1.917 125 A HA -0.221 4.101 4.320 0.005 0.000 0.219 125 A C 2.179 179.812 177.584 0.082 0.000 1.182 125 A CA 1.633 53.709 52.037 0.066 0.000 0.633 125 A CB -0.909 18.131 19.000 0.066 0.000 0.819 125 A HN 0.313 nan 8.150 nan 0.000 0.448 126 F N 0.153 120.102 119.950 -0.002 0.000 2.102 126 F HA -0.125 4.405 4.527 0.005 0.000 0.298 126 F C 1.962 177.758 175.800 -0.008 0.000 1.105 126 F CA 1.787 59.785 58.000 -0.003 0.000 1.239 126 F CB -0.138 38.858 39.000 -0.006 0.000 0.991 126 F HN 0.212 nan 8.300 nan 0.000 0.474 127 L N 0.322 121.693 121.223 0.246 0.000 2.093 127 L HA -0.081 4.262 4.340 0.005 0.000 0.208 127 L C 2.269 179.133 176.870 -0.009 0.000 1.085 127 L CA 1.820 56.741 54.840 0.135 0.000 0.755 127 L CB -1.201 40.950 42.059 0.153 0.000 0.904 127 L HN 0.298 nan 8.230 nan 0.000 0.435 128 A N -0.133 122.679 122.820 -0.013 0.000 2.121 128 A HA -0.208 4.115 4.320 0.005 0.000 0.218 128 A C 2.361 179.894 177.584 -0.087 0.000 1.154 128 A CA 1.385 53.396 52.037 -0.044 0.000 0.679 128 A CB -0.432 18.553 19.000 -0.025 0.000 0.795 128 A HN 0.541 nan 8.150 nan 0.000 0.458 129 R N -0.648 119.766 120.500 -0.142 0.000 2.105 129 R HA -0.034 4.309 4.340 0.005 0.000 0.214 129 R C 1.942 178.114 176.300 -0.214 0.000 1.091 129 R CA 1.670 57.665 56.100 -0.175 0.000 1.007 129 R CB -0.079 30.091 30.300 -0.217 0.000 0.912 129 R HN 0.498 nan 8.270 nan 0.000 0.450 130 T N -3.713 110.643 114.554 -0.329 0.000 3.069 130 T HA 0.234 4.587 4.350 0.005 0.000 0.252 130 T C 1.214 175.818 174.700 -0.160 0.000 1.053 130 T CA 0.325 62.257 62.100 -0.281 0.000 0.964 130 T CB 0.847 69.430 68.868 -0.475 0.000 1.005 130 T HN 0.379 nan 8.240 nan 0.000 0.532 131 G N 1.613 110.336 108.800 -0.127 0.000 2.180 131 G HA2 -0.254 3.709 3.960 0.005 0.000 0.263 131 G HA3 -0.254 3.709 3.960 0.005 0.000 0.263 131 G C -0.097 174.804 174.900 0.003 0.000 0.989 131 G CA 0.264 45.325 45.100 -0.066 0.000 0.692 131 G HN 0.663 nan 8.290 nan 0.000 0.526 132 N N -0.501 118.213 118.700 0.024 0.000 2.284 132 N HA 0.579 5.322 4.740 0.005 0.000 0.289 132 N C 0.323 175.969 175.510 0.226 0.000 1.179 132 N CA 0.003 53.122 53.050 0.116 0.000 0.774 132 N CB 1.856 40.380 38.487 0.060 0.000 1.548 132 N HN 0.294 nan 8.380 nan 0.000 0.473 133 G N -0.325 108.599 108.800 0.206 0.000 2.502 133 G HA2 0.362 4.325 3.960 0.005 0.000 0.305 133 G HA3 0.362 4.325 3.960 0.005 0.000 0.305 133 G C -0.162 174.784 174.900 0.076 0.000 1.190 133 G CA -0.381 44.828 45.100 0.182 0.000 0.933 133 G HN 0.288 nan 8.290 nan 0.000 0.503 134 V N 1.674 121.532 119.914 -0.093 0.000 2.390 134 V HA 0.385 4.508 4.120 0.005 0.000 0.260 134 V C 0.841 176.841 176.094 -0.156 0.000 1.043 134 V CA 0.522 62.647 62.300 -0.292 0.000 1.047 134 V CB -0.725 30.872 31.823 -0.376 0.000 1.066 134 V HN 1.056 nan 8.190 nan 0.000 0.481 135 T N 1.004 115.474 114.554 -0.141 0.000 2.812 135 T HA 0.328 4.681 4.350 0.005 0.000 0.294 135 T C 0.462 175.088 174.700 -0.123 0.000 1.159 135 T CA -0.763 61.273 62.100 -0.106 0.000 1.008 135 T CB 1.819 70.642 68.868 -0.076 0.000 1.289 135 T HN 0.336 nan 8.240 nan 0.000 0.514 136 Q N -0.319 119.415 119.800 -0.111 0.000 2.439 136 Q HA -0.096 4.247 4.340 0.005 0.000 0.211 136 Q C 1.857 177.772 176.000 -0.142 0.000 0.978 136 Q CA 1.037 56.767 55.803 -0.122 0.000 0.897 136 Q CB -0.113 28.555 28.738 -0.117 0.000 0.956 136 Q HN 0.666 nan 8.270 nan 0.000 0.483 137 Q N 0.081 119.791 119.800 -0.150 0.000 2.389 137 Q HA 0.057 4.400 4.340 0.005 0.000 0.204 137 Q C -0.079 175.800 176.000 -0.202 0.000 0.944 137 Q CA -0.001 55.697 55.803 -0.174 0.000 0.908 137 Q CB 0.362 28.980 28.738 -0.201 0.000 1.002 137 Q HN 0.310 nan 8.270 nan 0.000 0.493 138 L N 0.759 121.865 121.223 -0.195 0.000 2.559 138 L HA -0.086 4.256 4.340 0.005 0.000 0.274 138 L C 1.422 178.141 176.870 -0.253 0.000 1.205 138 L CA -0.510 54.185 54.840 -0.243 0.000 0.907 138 L CB 0.502 42.444 42.059 -0.194 0.000 1.153 138 L HN 0.049 nan 8.230 nan 0.000 0.490 139 V N 2.611 122.296 119.914 -0.381 0.000 2.313 139 V HA -0.349 3.773 4.120 0.005 0.000 0.253 139 V C 2.289 178.330 176.094 -0.088 0.000 1.070 139 V CA 2.593 64.731 62.300 -0.270 0.000 1.057 139 V CB -0.840 30.681 31.823 -0.503 0.000 0.653 139 V HN 0.999 nan 8.190 nan 0.000 0.450 140 T N 0.074 114.535 114.554 -0.156 0.000 2.665 140 T HA -0.244 4.109 4.350 0.005 0.000 0.268 140 T C 2.029 176.724 174.700 -0.009 0.000 1.035 140 T CA 1.842 63.948 62.100 0.009 0.000 1.151 140 T CB -0.470 68.389 68.868 -0.015 0.000 0.862 140 T HN 0.642 nan 8.240 nan 0.000 0.438 141 A N 1.651 124.431 122.820 -0.067 0.000 1.858 141 A HA -0.141 4.182 4.320 0.005 0.000 0.216 141 A C 2.253 179.846 177.584 0.015 0.000 1.190 141 A CA 1.828 53.837 52.037 -0.047 0.000 0.617 141 A CB -0.525 18.422 19.000 -0.088 0.000 0.827 141 A HN 0.479 nan 8.150 nan 0.000 0.443 142 K N -0.821 119.571 120.400 -0.013 0.000 2.074 142 K HA -0.139 4.184 4.320 0.005 0.000 0.209 142 K C 1.809 178.508 176.600 0.166 0.000 1.048 142 K CA 1.301 57.599 56.287 0.019 0.000 0.926 142 K CB -0.350 32.120 32.500 -0.051 0.000 0.713 142 K HN 0.282 nan 8.250 nan 0.000 0.444 143 L N 1.273 122.607 121.223 0.185 0.000 2.012 143 L HA -0.179 4.164 4.340 0.005 0.000 0.210 143 L C 2.223 179.232 176.870 0.232 0.000 1.073 143 L CA 1.679 56.700 54.840 0.302 0.000 0.748 143 L CB -0.753 41.517 42.059 0.351 0.000 0.891 143 L HN 0.128 nan 8.230 nan 0.000 0.431 144 R N -1.711 118.851 120.500 0.104 0.000 2.091 144 R HA -0.253 4.089 4.340 0.005 0.000 0.238 144 R C 2.103 178.439 176.300 0.059 0.000 1.136 144 R CA 1.619 57.719 56.100 -0.001 0.000 0.959 144 R CB -1.236 29.047 30.300 -0.029 0.000 0.856 144 R HN 0.532 nan 8.270 nan 0.000 0.437 145 W N 1.288 122.573 121.300 -0.025 0.000 2.354 145 W HA -0.130 4.533 4.660 0.004 0.000 0.315 145 W C 2.021 178.580 176.519 0.068 0.000 1.206 145 W CA 1.302 58.654 57.345 0.011 0.000 1.290 145 W CB -0.426 28.971 29.460 -0.105 0.000 1.152 145 W HN -0.060 nan 8.180 nan 0.000 0.489 146 I N 0.768 121.613 120.570 0.458 0.000 2.151 146 I HA -0.383 3.789 4.170 0.005 0.000 0.243 146 I C 2.534 178.658 176.117 0.011 0.000 1.080 146 I CA 2.239 63.728 61.300 0.315 0.000 1.339 146 I CB -0.780 37.492 38.000 0.453 0.000 1.039 146 I HN 0.179 nan 8.210 nan 0.000 0.409 147 E N 1.469 121.525 120.200 -0.239 0.000 2.118 147 E HA -0.314 4.038 4.350 0.005 0.000 0.195 147 E C 2.257 178.633 176.600 -0.374 0.000 0.992 147 E CA 1.777 57.742 56.400 -0.725 0.000 0.804 147 E CB -0.055 28.907 29.700 -1.230 0.000 0.741 147 E HN 0.512 nan 8.360 nan 0.000 0.458 148 R N -1.316 119.001 120.500 -0.305 0.000 2.140 148 R HA -0.016 4.326 4.340 0.005 0.000 0.213 148 R C 1.525 177.547 176.300 -0.463 0.000 1.059 148 R CA 1.483 57.388 56.100 -0.326 0.000 1.000 148 R CB -0.218 29.914 30.300 -0.281 0.000 0.910 148 R HN 0.215 nan 8.270 nan 0.000 0.455 149 H N -0.253 118.452 119.070 -0.608 0.000 2.553 149 H HA 0.301 4.860 4.556 0.004 0.000 0.276 149 H C -0.052 175.071 175.328 -0.342 0.000 0.979 149 H CA 0.730 56.388 56.048 -0.651 0.000 1.268 149 H CB 0.749 29.653 29.762 -1.430 0.000 1.450 149 H HN 0.295 nan 8.280 nan 0.000 0.527 150 E N 0.604 120.731 120.200 -0.122 0.000 3.935 150 E HA 0.109 4.462 4.350 0.005 0.000 0.226 150 E C -2.101 174.542 176.600 0.071 0.000 1.220 150 E CA -1.319 55.097 56.400 0.027 0.000 1.226 150 E CB 1.473 31.254 29.700 0.135 0.000 1.237 150 E HN 0.230 nan 8.360 nan 0.000 0.417 151 P HA -0.220 nan 4.420 nan 0.000 0.218 151 P C 1.221 178.604 177.300 0.140 0.000 1.148 151 P CA 1.067 64.211 63.100 0.073 0.000 0.822 151 P CB 0.319 32.023 31.700 0.006 0.000 0.784 152 A N -0.333 122.543 122.820 0.094 0.000 1.897 152 A HA -0.094 4.229 4.320 0.005 0.000 0.215 152 A C 2.399 180.043 177.584 0.100 0.000 1.181 152 A CA 1.536 53.624 52.037 0.085 0.000 0.620 152 A CB -1.586 17.449 19.000 0.058 0.000 0.821 152 A HN 0.039 nan 8.150 nan 0.000 0.443 153 V N -1.131 118.856 119.914 0.122 0.000 2.255 153 V HA -0.277 3.845 4.120 0.005 0.000 0.247 153 V C 2.284 178.463 176.094 0.142 0.000 1.051 153 V CA 2.295 64.669 62.300 0.123 0.000 1.018 153 V CB -0.999 30.915 31.823 0.152 0.000 0.641 153 V HN 0.608 nan 8.190 nan 0.000 0.445 154 F N 1.848 121.829 119.950 0.052 0.000 2.126 154 F HA -0.123 4.407 4.527 0.005 0.000 0.299 154 F C 2.173 177.999 175.800 0.043 0.000 1.096 154 F CA 1.782 59.816 58.000 0.056 0.000 1.255 154 F CB -0.720 38.315 39.000 0.057 0.000 0.997 154 F HN 0.159 nan 8.300 nan 0.000 0.479 155 G N -1.045 107.839 108.800 0.139 0.000 2.484 155 G HA2 -0.043 3.920 3.960 0.005 0.000 0.218 155 G HA3 -0.043 3.920 3.960 0.005 0.000 0.218 155 G C 1.555 176.434 174.900 -0.035 0.000 1.130 155 G CA 0.449 45.577 45.100 0.046 0.000 0.784 155 G HN 0.536 nan 8.290 nan 0.000 0.543 156 A N 0.009 122.814 122.820 -0.025 0.000 2.251 156 A HA 0.435 4.758 4.320 0.005 0.000 0.209 156 A C 0.859 178.400 177.584 -0.071 0.000 1.187 156 A CA -0.346 51.670 52.037 -0.035 0.000 0.823 156 A CB -0.181 18.814 19.000 -0.008 0.000 0.846 156 A HN 0.313 nan 8.150 nan 0.000 0.486 157 I N 0.449 120.938 120.570 -0.135 0.000 2.436 157 I HA 0.134 4.307 4.170 0.005 0.000 0.289 157 I C 1.334 177.374 176.117 -0.127 0.000 1.083 157 I CA -0.111 61.102 61.300 -0.145 0.000 1.372 157 I CB 1.358 39.216 38.000 -0.238 0.000 1.408 157 I HN 0.252 nan 8.210 nan 0.000 0.516 158 A N 4.542 127.312 122.820 -0.084 0.000 2.035 158 A HA 0.237 4.560 4.320 0.005 0.000 0.208 158 A C 0.849 178.396 177.584 -0.063 0.000 1.206 158 A CA 0.595 52.591 52.037 -0.068 0.000 0.773 158 A CB 0.377 19.347 19.000 -0.051 0.000 0.878 158 A HN 0.602 nan 8.150 nan 0.000 0.469 159 T N -0.540 113.980 114.554 -0.057 0.000 2.971 159 T HA 0.491 4.844 4.350 0.005 0.000 0.304 159 T C -1.442 173.237 174.700 -0.035 0.000 1.038 159 T CA -0.276 61.795 62.100 -0.049 0.000 1.007 159 T CB 1.769 70.608 68.868 -0.048 0.000 1.055 159 T HN 0.310 nan 8.240 nan 0.000 0.451 160 V N 4.119 124.031 119.914 -0.003 0.000 2.495 160 V HA 0.888 5.011 4.120 0.005 0.000 0.298 160 V C -0.337 175.732 176.094 -0.043 0.000 1.031 160 V CA -0.318 62.025 62.300 0.073 0.000 0.871 160 V CB 0.347 32.307 31.823 0.229 0.000 0.988 160 V HN 1.304 nan 8.190 nan 0.000 0.432 161 C N 3.730 122.891 119.300 -0.232 0.000 3.293 161 C HA 0.993 5.456 4.460 0.005 0.000 0.362 161 C C 0.406 174.910 174.990 -0.809 0.000 1.539 161 C CA -0.076 58.392 59.018 -0.916 0.000 1.201 161 C CB 1.037 28.438 27.740 -0.566 0.000 1.770 161 C HN 1.214 nan 8.230 nan 0.000 0.440 162 G N 0.200 108.228 108.800 -1.286 0.000 2.753 162 G HA2 0.554 4.517 3.960 0.005 0.000 0.285 162 G HA3 0.554 4.517 3.960 0.005 0.000 0.285 162 G C 0.792 175.486 174.900 -0.345 0.000 1.344 162 G CA 0.361 45.064 45.100 -0.662 0.000 1.050 162 G HN 1.679 nan 8.290 nan 0.000 0.532 163 S N -0.819 114.700 115.700 -0.302 0.000 2.335 163 S HA -0.169 4.304 4.470 0.005 0.000 0.217 163 S C 2.186 176.643 174.600 -0.238 0.000 1.032 163 S CA 1.973 59.934 58.200 -0.400 0.000 0.985 163 S CB -0.969 61.594 63.200 -1.062 0.000 0.896 163 S HN 0.804 nan 8.310 nan 0.000 0.445 164 Y N 2.066 122.270 120.300 -0.160 0.000 2.352 164 Y HA 0.125 4.677 4.550 0.004 0.000 0.292 164 Y C 1.627 177.504 175.900 -0.037 0.000 1.136 164 Y CA 0.667 58.724 58.100 -0.073 0.000 1.227 164 Y CB -1.089 37.342 38.460 -0.048 0.000 0.991 164 Y HN 0.105 nan 8.280 nan 0.000 0.545 165 D N 0.136 120.339 120.400 -0.329 0.000 2.144 165 D HA -0.229 4.413 4.640 0.005 0.000 0.199 165 D C 1.822 178.075 176.300 -0.078 0.000 0.984 165 D CA 1.746 55.620 54.000 -0.211 0.000 0.834 165 D CB -0.650 39.883 40.800 -0.445 0.000 0.955 165 D HN 0.519 nan 8.370 nan 0.000 0.465 166 Y N 1.826 122.042 120.300 -0.140 0.000 2.163 166 Y HA -0.179 4.374 4.550 0.005 0.000 0.288 166 Y C 2.160 178.046 175.900 -0.022 0.000 1.136 166 Y CA 1.007 59.074 58.100 -0.055 0.000 1.147 166 Y CB -0.277 38.223 38.460 0.067 0.000 0.987 166 Y HN -0.162 nan 8.280 nan 0.000 0.509 167 I N 0.594 121.127 120.570 -0.063 0.000 2.127 167 I HA -0.302 3.871 4.170 0.005 0.000 0.241 167 I C 1.124 177.179 176.117 -0.104 0.000 1.075 167 I CA 1.001 62.263 61.300 -0.063 0.000 1.334 167 I CB -1.785 36.335 38.000 0.200 0.000 1.040 167 I HN 0.242 nan 8.210 nan 0.000 0.405 171 L N -0.189 120.917 121.223 -0.196 0.000 2.131 171 L HA 0.001 4.344 4.340 0.005 0.000 0.206 171 L C 1.959 178.807 176.870 -0.036 0.000 1.087 171 L CA 2.012 56.849 54.840 -0.005 0.000 0.767 171 L CB -0.302 41.793 42.059 0.061 0.000 0.917 171 L HN 0.494 nan 8.230 nan 0.000 0.441 172 T N -5.732 108.771 114.554 -0.085 0.000 2.959 172 T HA 0.260 4.613 4.350 0.005 0.000 0.254 172 T C 1.478 176.124 174.700 -0.091 0.000 1.003 172 T CA 0.483 62.534 62.100 -0.082 0.000 0.950 172 T CB 0.894 69.702 68.868 -0.100 0.000 1.090 172 T HN 0.325 nan 8.240 nan 0.000 0.503 173 G N 1.777 110.510 108.800 -0.112 0.000 2.175 173 G HA2 -0.236 3.726 3.960 0.005 0.000 0.265 173 G HA3 -0.236 3.726 3.960 0.005 0.000 0.265 173 G C -0.060 174.782 174.900 -0.097 0.000 0.979 173 G CA 0.352 45.389 45.100 -0.105 0.000 0.663 173 G HN 0.609 nan 8.290 nan 0.000 0.533 174 E N -0.271 119.865 120.200 -0.107 0.000 2.371 174 E HA 0.454 4.806 4.350 0.005 0.000 0.257 174 E C 0.588 177.127 176.600 -0.103 0.000 1.134 174 E CA -0.555 55.783 56.400 -0.104 0.000 0.919 174 E CB 0.736 30.359 29.700 -0.129 0.000 1.025 174 E HN 0.379 nan 8.360 nan 0.000 0.438 175 R N 1.225 121.673 120.500 -0.087 0.000 2.363 175 R HA 0.349 4.691 4.340 0.005 0.000 0.297 175 R C -0.896 175.361 176.300 -0.071 0.000 1.208 175 R CA -0.311 55.742 56.100 -0.079 0.000 1.121 175 R CB 0.237 30.500 30.300 -0.062 0.000 1.124 175 R HN 0.354 nan 8.270 nan 0.000 0.561 176 V N 0.678 120.541 119.914 -0.085 0.000 3.181 176 V HA 0.777 4.900 4.120 0.005 0.000 0.308 176 V C -0.807 175.249 176.094 -0.063 0.000 1.214 176 V CA -0.847 61.422 62.300 -0.052 0.000 1.053 176 V CB 2.147 33.938 31.823 -0.054 0.000 1.069 176 V HN 0.256 nan 8.190 nan 0.000 0.441 177 V N -1.408 118.508 119.914 0.004 0.000 2.864 177 V HA 0.669 4.792 4.120 0.005 0.000 0.314 177 V C -0.235 175.963 176.094 0.173 0.000 1.073 177 V CA -0.501 61.801 62.300 0.003 0.000 0.956 177 V CB 1.539 33.339 31.823 -0.040 0.000 1.023 177 V HN 1.102 nan 8.190 nan 0.000 0.435 178 D N 2.015 122.553 120.400 0.231 0.000 2.533 178 D HA 0.043 4.686 4.640 0.005 0.000 0.236 178 D C 1.441 177.943 176.300 0.337 0.000 1.137 178 D CA 0.575 54.778 54.000 0.339 0.000 0.867 178 D CB 0.915 42.027 40.800 0.519 0.000 1.170 178 D HN 0.643 nan 8.370 nan 0.000 0.474 179 R N 2.886 123.522 120.500 0.226 0.000 2.140 179 R HA -0.233 4.110 4.340 0.005 0.000 0.250 179 R C 1.484 177.971 176.300 0.313 0.000 1.150 179 R CA 1.504 57.714 56.100 0.183 0.000 0.966 179 R CB -0.172 30.076 30.300 -0.087 0.000 0.869 179 R HN 0.528 nan 8.270 nan 0.000 0.445 180 N N -0.394 118.510 118.700 0.340 0.000 2.270 180 N HA -0.158 4.584 4.740 0.005 0.000 0.181 180 N C 1.303 176.993 175.510 0.300 0.000 1.016 180 N CA 0.829 54.083 53.050 0.341 0.000 0.870 180 N CB -0.249 38.422 38.487 0.307 0.000 0.979 180 N HN 0.320 nan 8.380 nan 0.000 0.431 181 W N 2.149 123.558 121.300 0.181 0.000 2.335 181 W HA -0.144 4.519 4.660 0.005 0.000 0.311 181 W C 2.288 178.861 176.519 0.089 0.000 1.213 181 W CA 2.435 59.836 57.345 0.094 0.000 1.274 181 W CB -0.365 29.099 29.460 0.006 0.000 1.148 181 W HN 0.050 nan 8.180 nan 0.000 0.498 182 A N 0.157 123.171 122.820 0.323 0.000 1.930 182 A HA -0.154 4.169 4.320 0.005 0.000 0.217 182 A C 2.119 179.696 177.584 -0.011 0.000 1.175 182 A CA 1.569 53.723 52.037 0.196 0.000 0.627 182 A CB -0.986 18.279 19.000 0.441 0.000 0.815 182 A HN 0.455 nan 8.150 nan 0.000 0.443 183 L N -0.519 120.750 121.223 0.076 0.000 2.023 183 L HA -0.133 4.210 4.340 0.005 0.000 0.205 183 L C 2.529 179.346 176.870 -0.088 0.000 1.073 183 L CA 1.817 56.680 54.840 0.038 0.000 0.745 183 L CB -0.605 41.549 42.059 0.159 0.000 0.900 183 L HN 0.508 nan 8.230 nan 0.000 0.435 184 E N -0.411 119.734 120.200 -0.093 0.000 2.118 184 E HA -0.206 4.147 4.350 0.005 0.000 0.195 184 E C 1.886 178.300 176.600 -0.309 0.000 0.992 184 E CA 1.109 57.416 56.400 -0.155 0.000 0.804 184 E CB -0.267 29.363 29.700 -0.117 0.000 0.741 184 E HN 0.636 nan 8.360 nan 0.000 0.458 185 G N -0.030 108.450 108.800 -0.533 0.000 2.471 185 G HA2 -0.051 3.912 3.960 0.005 0.000 0.219 185 G HA3 -0.051 3.912 3.960 0.005 0.000 0.219 185 G C 1.125 175.517 174.900 -0.847 0.000 1.125 185 G CA 0.687 45.276 45.100 -0.852 0.000 0.775 185 G HN 0.456 nan 8.290 nan 0.000 0.548 186 G N -1.377 107.092 108.800 -0.553 0.000 2.168 186 G HA2 -0.198 3.765 3.960 0.005 0.000 0.197 186 G HA3 -0.198 3.765 3.960 0.005 0.000 0.197 186 G C 0.652 175.436 174.900 -0.194 0.000 0.997 186 G CA 0.318 45.254 45.100 -0.273 0.000 0.658 186 G HN 0.264 nan 8.290 nan 0.000 0.513 187 F N 0.460 120.392 119.950 -0.029 0.000 2.746 187 F HA 0.523 5.053 4.527 0.005 0.000 0.297 187 F C 1.434 177.245 175.800 0.019 0.000 1.113 187 F CA -0.886 57.121 58.000 0.011 0.000 1.367 187 F CB 0.282 39.305 39.000 0.038 0.000 1.111 187 F HN 0.130 nan 8.300 nan 0.000 0.590 188 I N 0.383 121.046 120.570 0.154 0.000 2.412 188 I HA 0.160 4.333 4.170 0.005 0.000 0.296 188 I C -0.229 175.915 176.117 0.045 0.000 0.987 188 I CA -0.764 60.615 61.300 0.132 0.000 1.180 188 I CB 1.335 39.451 38.000 0.193 0.000 1.340 188 I HN -0.191 nan 8.210 nan 0.000 0.455 189 D N 5.900 126.332 120.400 0.052 0.000 2.316 189 D HA 0.083 4.726 4.640 0.005 0.000 0.245 189 D C 0.910 177.248 176.300 0.063 0.000 1.171 189 D CA -0.411 53.597 54.000 0.015 0.000 0.856 189 D CB 1.446 42.257 40.800 0.019 0.000 1.090 189 D HN 0.294 nan 8.370 nan 0.000 0.476 190 L N 4.833 126.075 121.223 0.031 0.000 2.021 190 L HA -0.241 4.101 4.340 0.005 0.000 0.215 190 L C 2.537 179.463 176.870 0.093 0.000 1.074 190 L CA 2.090 56.969 54.840 0.064 0.000 0.760 190 L CB -1.375 40.658 42.059 -0.044 0.000 0.889 190 L HN 0.634 nan 8.230 nan 0.000 0.433 191 A N -1.231 121.614 122.820 0.042 0.000 1.958 191 A HA -0.282 4.041 4.320 0.005 0.000 0.221 191 A C 2.458 180.084 177.584 0.072 0.000 1.178 191 A CA 2.796 54.860 52.037 0.046 0.000 0.642 191 A CB -0.726 18.286 19.000 0.020 0.000 0.816 191 A HN 0.606 nan 8.150 nan 0.000 0.453 192 S N -3.295 112.452 115.700 0.078 0.000 2.514 192 S HA 0.404 4.877 4.470 0.005 0.000 0.223 192 S C 1.486 176.148 174.600 0.103 0.000 1.046 192 S CA 1.190 59.437 58.200 0.078 0.000 0.914 192 S CB -0.084 63.152 63.200 0.060 0.000 0.807 192 S HN 2.040 nan 8.310 nan 0.000 0.497 193 G N 1.613 110.503 108.800 0.150 0.000 2.153 193 G HA2 -0.225 3.738 3.960 0.005 0.000 0.252 193 G HA3 -0.225 3.738 3.960 0.005 0.000 0.252 193 G C 0.191 175.160 174.900 0.114 0.000 0.994 193 G CA 0.766 45.980 45.100 0.190 0.000 0.698 193 G HN 1.385 nan 8.290 nan 0.000 0.521 194 T N -3.633 110.984 114.554 0.106 0.000 2.907 194 T HA 0.701 5.054 4.350 0.005 0.000 0.290 194 T C -0.002 174.762 174.700 0.107 0.000 1.066 194 T CA -0.385 61.767 62.100 0.088 0.000 1.012 194 T CB 2.415 71.320 68.868 0.061 0.000 1.184 194 T HN 0.800 nan 8.240 nan 0.000 0.522 195 V N 2.525 122.503 119.914 0.107 0.000 2.521 195 V HA 0.235 4.357 4.120 0.005 0.000 0.286 195 V C 0.365 176.508 176.094 0.082 0.000 1.034 195 V CA -0.075 62.297 62.300 0.119 0.000 1.045 195 V CB 0.303 32.185 31.823 0.098 0.000 0.974 195 V HN 0.794 nan 8.190 nan 0.000 0.480 196 E N 3.374 123.629 120.200 0.092 0.000 2.191 196 E HA 0.470 4.822 4.350 0.005 0.000 0.278 196 E C 0.845 177.481 176.600 0.060 0.000 0.972 196 E CA -0.113 56.328 56.400 0.069 0.000 0.804 196 E CB 2.028 31.769 29.700 0.068 0.000 1.110 196 E HN 0.639 nan 8.360 nan 0.000 0.394 197 A N 3.419 126.265 122.820 0.044 0.000 1.841 197 A HA -0.282 4.041 4.320 0.005 0.000 0.216 197 A C 1.679 179.298 177.584 0.059 0.000 1.199 197 A CA 2.092 54.151 52.037 0.036 0.000 0.621 197 A CB -0.625 18.394 19.000 0.032 0.000 0.835 197 A HN 0.780 nan 8.150 nan 0.000 0.445 198 D N -0.477 119.962 120.400 0.065 0.000 4.742 198 D HA -0.260 4.383 4.640 0.005 0.000 0.284 198 D C 1.619 177.989 176.300 0.117 0.000 1.470 198 D CA 2.516 56.566 54.000 0.083 0.000 0.932 198 D CB -0.571 40.271 40.800 0.069 0.000 0.901 198 D HN 0.396 nan 8.370 nan 0.000 0.689 199 L N -0.750 120.554 121.223 0.135 0.000 2.095 199 L HA -0.080 4.263 4.340 0.005 0.000 0.204 199 L C 2.697 179.734 176.870 0.279 0.000 1.080 199 L CA 0.444 55.412 54.840 0.214 0.000 0.759 199 L CB -0.196 41.994 42.059 0.217 0.000 0.914 199 L HN 0.042 nan 8.230 nan 0.000 0.439 200 V N 0.165 120.179 119.914 0.167 0.000 2.343 200 V HA -0.302 3.820 4.120 0.005 0.000 0.247 200 V C 2.800 178.958 176.094 0.106 0.000 1.051 200 V CA 1.723 64.041 62.300 0.031 0.000 1.036 200 V CB -1.081 30.633 31.823 -0.181 0.000 0.654 200 V HN 0.481 nan 8.190 nan 0.000 0.451 201 A N -0.169 122.718 122.820 0.111 0.000 1.958 201 A HA -0.241 4.081 4.320 0.005 0.000 0.221 201 A C 2.246 179.945 177.584 0.192 0.000 1.178 201 A CA 2.007 54.134 52.037 0.150 0.000 0.642 201 A CB -0.681 18.396 19.000 0.128 0.000 0.816 201 A HN 0.498 nan 8.150 nan 0.000 0.453 202 L N -1.369 119.948 121.223 0.157 0.000 2.189 202 L HA -0.246 4.097 4.340 0.005 0.000 0.214 202 L C 2.694 179.497 176.870 -0.112 0.000 1.097 202 L CA 1.356 56.243 54.840 0.078 0.000 0.764 202 L CB -0.456 41.674 42.059 0.118 0.000 0.900 202 L HN 0.516 nan 8.230 nan 0.000 0.436 203 A N -2.358 120.488 122.820 0.043 0.000 2.275 203 A HA -0.010 4.313 4.320 0.005 0.000 0.212 203 A C 0.707 178.386 177.584 0.159 0.000 1.201 203 A CA 0.040 52.108 52.037 0.052 0.000 0.843 203 A CB -0.552 18.623 19.000 0.293 0.000 0.873 203 A HN 0.695 nan 8.150 nan 0.000 0.492 204 H N -1.197 118.011 119.070 0.230 0.000 2.899 204 H HA -0.169 4.390 4.556 0.004 0.000 0.282 204 H C 0.110 175.670 175.328 0.387 0.000 1.198 204 H CA 0.422 56.626 56.048 0.260 0.000 1.140 204 H CB -2.055 27.828 29.762 0.203 0.000 1.317 204 H HN 0.771 nan 8.280 nan 0.000 0.375 205 I N -1.531 119.233 120.570 0.324 0.000 2.707 205 I HA 0.607 4.780 4.170 0.005 0.000 0.309 205 I C -2.169 173.971 176.117 0.038 0.000 1.001 205 I CA -2.539 58.812 61.300 0.085 0.000 1.129 205 I CB 1.556 39.529 38.000 -0.046 0.000 1.308 205 I HN -0.282 nan 8.210 nan 0.000 0.466 206 P HA 0.257 nan 4.420 nan 0.000 0.271 206 P C -2.372 174.898 177.300 -0.050 0.000 1.218 206 P CA -1.370 61.718 63.100 -0.021 0.000 0.780 206 P CB 0.216 31.895 31.700 -0.036 0.000 0.901 207 P HA -0.125 nan 4.420 nan 0.000 0.223 207 P C 1.559 178.821 177.300 -0.064 0.000 1.151 207 P CA 1.283 64.346 63.100 -0.063 0.000 0.787 207 P CB -0.283 31.398 31.700 -0.031 0.000 0.788 208 S N -0.503 115.168 115.700 -0.049 0.000 2.474 208 S HA -0.049 4.423 4.470 0.005 0.000 0.235 208 S C 1.977 176.542 174.600 -0.059 0.000 0.997 208 S CA 0.925 59.098 58.200 -0.046 0.000 0.949 208 S CB -1.201 61.977 63.200 -0.037 0.000 0.766 208 S HN 0.126 nan 8.310 nan 0.000 0.517 209 A N 0.918 123.692 122.820 -0.077 0.000 2.119 209 A HA 0.384 4.707 4.320 0.005 0.000 0.217 209 A C 0.841 178.381 177.584 -0.073 0.000 1.153 209 A CA 0.356 52.345 52.037 -0.081 0.000 0.692 209 A CB -0.259 18.680 19.000 -0.101 0.000 0.799 209 A HN 0.414 nan 8.150 nan 0.000 0.458 210 V N 1.780 121.634 119.914 -0.100 0.000 2.370 210 V HA 0.309 4.432 4.120 0.005 0.000 0.283 210 V C -2.475 173.604 176.094 -0.025 0.000 1.023 210 V CA -1.805 60.451 62.300 -0.072 0.000 0.857 210 V CB 1.190 32.879 31.823 -0.224 0.000 0.985 210 V HN 0.164 nan 8.190 nan 0.000 0.443 211 P HA 0.330 nan 4.420 nan 0.000 0.274 211 P C -2.674 174.648 177.300 0.036 0.000 1.246 211 P CA -1.518 61.581 63.100 -0.003 0.000 0.795 211 P CB -0.121 31.559 31.700 -0.033 0.000 1.006 212 P HA 0.125 nan 4.420 nan 0.000 0.269 212 P C -0.584 176.772 177.300 0.093 0.000 1.209 212 P CA 0.023 63.156 63.100 0.056 0.000 0.776 212 P CB 0.196 31.920 31.700 0.041 0.000 0.876 213 A N 2.401 125.292 122.820 0.117 0.000 2.386 213 A HA 0.348 4.671 4.320 0.005 0.000 0.248 213 A C -0.237 177.430 177.584 0.139 0.000 1.082 213 A CA 0.308 52.433 52.037 0.147 0.000 0.789 213 A CB -0.436 18.649 19.000 0.142 0.000 1.025 213 A HN 0.756 nan 8.150 nan 0.000 0.490 214 H N 1.450 120.539 119.070 0.031 0.000 2.771 214 H HA 0.597 5.156 4.556 0.004 0.000 0.361 214 H C -2.993 172.321 175.328 -0.024 0.000 1.108 214 H CA -1.693 54.349 56.048 -0.010 0.000 1.201 214 H CB 2.346 32.106 29.762 -0.004 0.000 1.681 214 H HN 0.424 nan 8.280 nan 0.000 0.534 215 P HA 0.133 nan 4.420 nan 0.000 0.285 215 P C 0.537 177.659 177.300 -0.298 0.000 1.259 215 P CA -0.386 62.504 63.100 -0.350 0.000 0.794 215 P CB 1.640 33.111 31.700 -0.381 0.000 0.940 216 T N 1.423 115.979 114.554 0.004 0.000 2.649 216 T HA -0.243 4.110 4.350 0.005 0.000 0.268 216 T C 1.558 176.346 174.700 0.147 0.000 1.036 216 T CA 2.127 64.306 62.100 0.131 0.000 1.157 216 T CB -1.058 67.894 68.868 0.140 0.000 0.861 216 T HN 0.646 nan 8.240 nan 0.000 0.445 217 H N 1.088 120.218 119.070 0.100 0.000 2.491 217 H HA 0.134 4.693 4.556 0.004 0.000 0.290 217 H C 0.991 176.458 175.328 0.232 0.000 1.050 217 H CA 0.457 56.612 56.048 0.178 0.000 1.309 217 H CB -0.204 29.671 29.762 0.188 0.000 1.392 217 H HN 0.264 nan 8.280 nan 0.000 0.554 218 R N 1.380 121.653 120.500 -0.379 0.000 2.490 218 R HA 0.303 4.646 4.340 0.005 0.000 0.278 218 R C -0.202 176.231 176.300 0.221 0.000 1.069 218 R CA -0.642 55.376 56.100 -0.137 0.000 1.080 218 R CB 1.780 31.838 30.300 -0.402 0.000 1.030 218 R HN -0.047 nan 8.270 nan 0.000 0.491 219 V N 4.407 124.386 119.914 0.109 0.000 2.599 219 V HA -0.093 4.030 4.120 0.005 0.000 0.300 219 V C 1.201 177.284 176.094 -0.019 0.000 1.034 219 V CA 0.275 62.471 62.300 -0.173 0.000 1.115 219 V CB 0.667 32.321 31.823 -0.281 0.000 0.934 219 V HN 0.672 nan 8.190 nan 0.000 0.485 220 L N 4.217 125.336 121.223 -0.174 0.000 2.253 220 L HA 0.641 4.984 4.340 0.005 0.000 0.205 220 L C 0.861 177.586 176.870 -0.242 0.000 1.078 220 L CA 2.085 56.706 54.840 -0.364 0.000 0.805 220 L CB -0.204 41.570 42.059 -0.476 0.000 0.963 220 L HN 0.856 nan 8.230 nan 0.000 0.459 221 G N -1.305 107.371 108.800 -0.207 0.000 2.364 221 G HA2 0.571 4.534 3.960 0.005 0.000 0.286 221 G HA3 0.571 4.534 3.960 0.005 0.000 0.286 221 G C -1.878 172.932 174.900 -0.150 0.000 1.241 221 G CA -0.224 44.783 45.100 -0.155 0.000 0.887 221 G HN 0.482 nan 8.290 nan 0.000 0.484 222 A N -0.981 121.774 122.820 -0.108 0.000 2.454 222 A HA 0.776 5.098 4.320 0.005 0.000 0.302 222 A C -0.362 177.188 177.584 -0.056 0.000 1.079 222 A CA -0.495 51.489 52.037 -0.088 0.000 0.731 222 A CB 1.741 20.696 19.000 -0.075 0.000 1.299 222 A HN 1.540 nan 8.150 nan 0.000 0.413 223 V N 2.685 122.580 119.914 -0.032 0.000 2.540 223 V HA 0.237 4.359 4.120 0.005 0.000 0.297 223 V C 1.304 177.400 176.094 0.004 0.000 1.024 223 V CA 0.798 63.100 62.300 0.004 0.000 1.105 223 V CB 0.349 32.191 31.823 0.031 0.000 0.938 223 V HN 1.116 nan 8.190 nan 0.000 0.482 224 T N 3.037 117.596 114.554 0.008 0.000 2.770 224 T HA 0.517 4.870 4.350 0.005 0.000 0.281 224 T C 1.322 176.036 174.700 0.024 0.000 0.981 224 T CA -0.053 62.050 62.100 0.004 0.000 0.955 224 T CB 1.337 70.200 68.868 -0.008 0.000 1.060 224 T HN 0.682 nan 8.240 nan 0.000 0.531 225 A N 0.203 123.033 122.820 0.017 0.000 1.873 225 A HA -0.032 4.291 4.320 0.005 0.000 0.215 225 A C 2.355 179.963 177.584 0.041 0.000 1.186 225 A CA 1.049 53.101 52.037 0.026 0.000 0.616 225 A CB -0.968 18.042 19.000 0.016 0.000 0.823 225 A HN 0.898 nan 8.150 nan 0.000 0.442 226 E N -0.057 120.166 120.200 0.038 0.000 2.097 226 E HA -0.219 4.134 4.350 0.005 0.000 0.196 226 E C 2.209 178.873 176.600 0.107 0.000 1.000 226 E CA 1.477 57.911 56.400 0.058 0.000 0.804 226 E CB -0.413 29.310 29.700 0.038 0.000 0.740 226 E HN 0.589 nan 8.360 nan 0.000 0.454 227 A N 0.804 123.693 122.820 0.115 0.000 2.021 227 A HA 0.172 4.495 4.320 0.005 0.000 0.216 227 A C 2.322 180.002 177.584 0.159 0.000 1.163 227 A CA 1.199 53.359 52.037 0.205 0.000 0.676 227 A CB -0.177 18.944 19.000 0.202 0.000 0.818 227 A HN 0.241 nan 8.150 nan 0.000 0.453 228 A N 0.381 123.263 122.820 0.104 0.000 1.877 228 A HA 0.161 4.484 4.320 0.005 0.000 0.216 228 A C 2.512 180.142 177.584 0.076 0.000 1.186 228 A CA 2.026 54.116 52.037 0.088 0.000 0.620 228 A CB -1.142 17.899 19.000 0.069 0.000 0.822 228 A HN 1.003 nan 8.150 nan 0.000 0.443 229 A N -0.038 122.823 122.820 0.069 0.000 1.859 229 A HA -0.161 4.162 4.320 0.005 0.000 0.217 229 A C 2.164 179.776 177.584 0.046 0.000 1.198 229 A CA 1.819 53.889 52.037 0.053 0.000 0.629 229 A CB -0.850 18.182 19.000 0.052 0.000 0.830 229 A HN 0.504 nan 8.150 nan 0.000 0.446 230 L N -0.493 120.777 121.223 0.078 0.000 2.201 230 L HA -0.112 4.231 4.340 0.005 0.000 0.212 230 L C 2.649 179.485 176.870 -0.057 0.000 1.105 230 L CA 1.700 56.565 54.840 0.042 0.000 0.775 230 L CB -0.539 41.618 42.059 0.164 0.000 0.913 230 L HN 0.693 nan 8.230 nan 0.000 0.440 231 T N -5.297 109.243 114.554 -0.024 0.000 2.990 231 T HA 0.329 4.682 4.350 0.005 0.000 0.250 231 T C 1.549 176.243 174.700 -0.010 0.000 1.041 231 T CA 0.511 62.573 62.100 -0.064 0.000 1.010 231 T CB 0.952 69.800 68.868 -0.035 0.000 1.003 231 T HN 0.386 nan 8.240 nan 0.000 0.499 232 G N 1.295 110.109 108.800 0.023 0.000 2.284 232 G HA2 -0.208 3.754 3.960 0.005 0.000 0.247 232 G HA3 -0.208 3.754 3.960 0.005 0.000 0.247 232 G C -0.074 174.940 174.900 0.190 0.000 1.012 232 G CA 0.040 45.164 45.100 0.041 0.000 0.618 232 G HN 0.555 nan 8.290 nan 0.000 0.521 233 L N 2.646 124.000 121.223 0.218 0.000 2.543 233 L HA 0.321 4.664 4.340 0.005 0.000 0.285 233 L C -1.447 175.538 176.870 0.191 0.000 1.236 233 L CA -1.186 53.812 54.840 0.263 0.000 0.871 233 L CB -0.247 41.910 42.059 0.163 0.000 1.121 233 L HN 0.034 nan 8.230 nan 0.000 0.501 234 P HA 0.062 nan 4.420 nan 0.000 0.268 234 P C -0.465 176.868 177.300 0.055 0.000 1.205 234 P CA -0.211 62.947 63.100 0.097 0.000 0.771 234 P CB 0.191 31.905 31.700 0.024 0.000 0.858 235 T N 2.267 116.849 114.554 0.047 0.000 2.946 235 T HA 0.284 4.637 4.350 0.005 0.000 0.311 235 T C 1.509 176.213 174.700 0.005 0.000 1.063 235 T CA 1.444 63.561 62.100 0.027 0.000 1.139 235 T CB -0.301 68.581 68.868 0.024 0.000 0.994 235 T HN 0.827 nan 8.240 nan 0.000 0.547 236 G N 1.613 110.410 108.800 -0.005 0.000 2.184 236 G HA2 -0.253 3.710 3.960 0.005 0.000 0.264 236 G HA3 -0.253 3.710 3.960 0.005 0.000 0.264 236 G C 0.191 175.067 174.900 -0.040 0.000 0.975 236 G CA 0.130 45.215 45.100 -0.025 0.000 0.642 236 G HN 0.771 nan 8.290 nan 0.000 0.536 237 L N 2.454 123.657 121.223 -0.033 0.000 2.667 237 L HA 0.347 4.690 4.340 0.005 0.000 0.278 237 L C -1.518 175.309 176.870 -0.073 0.000 1.217 237 L CA -0.717 54.094 54.840 -0.049 0.000 0.935 237 L CB 0.080 42.120 42.059 -0.032 0.000 1.193 237 L HN 0.005 nan 8.230 nan 0.000 0.493 238 P HA 0.058 nan 4.420 nan 0.000 0.264 238 P C -1.183 175.990 177.300 -0.212 0.000 1.193 238 P CA 0.058 63.040 63.100 -0.197 0.000 0.763 238 P CB 0.618 32.173 31.700 -0.242 0.000 0.810 239 V N 5.399 125.161 119.914 -0.253 0.000 2.448 239 V HA 0.294 4.416 4.120 0.005 0.000 0.295 239 V C -0.090 175.830 176.094 -0.291 0.000 1.025 239 V CA -0.540 61.657 62.300 -0.172 0.000 0.859 239 V CB 0.514 32.287 31.823 -0.084 0.000 0.988 239 V HN 0.425 nan 8.190 nan 0.000 0.431 240 Y N 1.873 122.175 120.300 0.004 0.000 2.289 240 Y HA 0.538 5.091 4.550 0.005 0.000 0.332 240 Y C 1.431 177.369 175.900 0.064 0.000 1.324 240 Y CA 0.524 58.650 58.100 0.043 0.000 1.478 240 Y CB 0.529 39.019 38.460 0.049 0.000 1.378 240 Y HN 0.738 nan 8.280 nan 0.000 0.558 241 G N -0.037 108.980 108.800 0.361 0.000 2.414 241 G HA2 0.320 4.283 3.960 0.005 0.000 0.236 241 G HA3 0.320 4.283 3.960 0.005 0.000 0.236 241 G C 0.315 175.354 174.900 0.232 0.000 1.293 241 G CA -0.110 45.199 45.100 0.348 0.000 0.869 241 G HN 0.879 nan 8.290 nan 0.000 0.556 242 G N -0.320 108.614 108.800 0.224 0.000 2.544 242 G HA2 0.604 4.567 3.960 0.005 0.000 0.242 242 G HA3 0.604 4.567 3.960 0.005 0.000 0.242 242 G C 0.074 174.973 174.900 -0.002 0.000 1.247 242 G CA 0.449 45.650 45.100 0.169 0.000 0.840 242 G HN 1.222 nan 8.290 nan 0.000 0.578 243 A N 0.648 123.211 122.820 -0.428 0.000 2.343 243 A HA 0.783 5.105 4.320 0.005 0.000 0.316 243 A C 0.391 177.606 177.584 -0.615 0.000 1.104 243 A CA -0.061 51.778 52.037 -0.329 0.000 0.768 243 A CB 1.299 20.198 19.000 -0.170 0.000 1.213 243 A HN 1.863 nan 8.150 nan 0.000 0.456 244 A N 2.442 125.136 122.820 -0.210 0.000 2.491 244 A HA 0.373 4.696 4.320 0.005 0.000 0.261 244 A C 1.163 178.691 177.584 -0.094 0.000 1.101 244 A CA 0.337 52.345 52.037 -0.049 0.000 0.772 244 A CB -0.069 18.982 19.000 0.085 0.000 1.043 244 A HN 0.993 nan 8.150 nan 0.000 0.501 245 D N 2.962 123.366 120.400 0.007 0.000 2.116 245 D HA -0.326 4.317 4.640 0.005 0.000 0.193 245 D C 1.412 177.740 176.300 0.048 0.000 0.998 245 D CA 2.356 56.369 54.000 0.021 0.000 0.836 245 D CB -0.729 40.108 40.800 0.062 0.000 0.951 245 D HN 0.837 nan 8.370 nan 0.000 0.449 246 H N 0.797 119.862 119.070 -0.009 0.000 2.423 246 H HA -0.036 4.523 4.556 0.005 0.000 0.297 246 H C 2.134 177.431 175.328 -0.052 0.000 1.075 246 H CA 0.911 56.946 56.048 -0.021 0.000 1.342 246 H CB -0.434 29.322 29.762 -0.010 0.000 1.395 246 H HN 0.161 nan 8.280 nan 0.000 0.530 247 I N 1.802 122.055 120.570 -0.527 0.000 2.252 247 I HA -0.109 4.064 4.170 0.005 0.000 0.245 247 I C 2.916 178.912 176.117 -0.201 0.000 1.102 247 I CA 1.099 62.154 61.300 -0.409 0.000 1.385 247 I CB -1.530 36.226 38.000 -0.406 0.000 1.064 247 I HN 0.330 nan 8.210 nan 0.000 0.414 248 A N 0.275 123.022 122.820 -0.122 0.000 1.930 248 A HA -0.148 4.174 4.320 0.005 0.000 0.217 248 A C 2.619 180.182 177.584 -0.035 0.000 1.175 248 A CA 1.862 53.875 52.037 -0.039 0.000 0.627 248 A CB -0.720 18.262 19.000 -0.031 0.000 0.815 248 A HN 0.380 nan 8.150 nan 0.000 0.443 249 S N -0.492 115.181 115.700 -0.045 0.000 2.368 249 S HA -0.044 4.428 4.470 0.005 0.000 0.225 249 S C 2.302 176.862 174.600 -0.068 0.000 1.030 249 S CA 1.201 59.380 58.200 -0.035 0.000 0.999 249 S CB -0.395 62.805 63.200 -0.001 0.000 0.844 249 S HN 0.784 nan 8.310 nan 0.000 0.459 250 A N 1.409 124.168 122.820 -0.102 0.000 1.858 250 A HA -0.085 4.238 4.320 0.005 0.000 0.216 250 A C 2.085 179.593 177.584 -0.127 0.000 1.190 250 A CA 1.603 53.556 52.037 -0.139 0.000 0.617 250 A CB -0.975 17.900 19.000 -0.208 0.000 0.827 250 A HN 0.443 nan 8.150 nan 0.000 0.443 251 L N 0.013 121.203 121.223 -0.055 0.000 1.997 251 L HA -0.231 4.112 4.340 0.005 0.000 0.216 251 L C 2.685 179.497 176.870 -0.097 0.000 1.074 251 L CA 2.626 57.475 54.840 0.015 0.000 0.763 251 L CB -0.914 41.221 42.059 0.127 0.000 0.890 251 L HN 0.384 nan 8.230 nan 0.000 0.434 252 A N -0.910 121.851 122.820 -0.099 0.000 1.972 252 A HA -0.041 4.281 4.320 0.005 0.000 0.219 252 A C 2.259 179.733 177.584 -0.184 0.000 1.169 252 A CA 1.562 53.507 52.037 -0.154 0.000 0.635 252 A CB -1.058 17.888 19.000 -0.090 0.000 0.810 252 A HN 0.598 nan 8.150 nan 0.000 0.446 253 A N -1.640 121.073 122.820 -0.178 0.000 2.235 253 A HA 0.404 4.726 4.320 0.005 0.000 0.208 253 A C 1.680 179.021 177.584 -0.403 0.000 1.172 253 A CA 1.150 53.056 52.037 -0.219 0.000 0.786 253 A CB -1.025 17.872 19.000 -0.171 0.000 0.804 253 A HN 1.912 nan 8.150 nan 0.000 0.479 254 G N -1.179 107.398 108.800 -0.372 0.000 2.149 254 G HA2 -0.194 3.769 3.960 0.005 0.000 0.235 254 G HA3 -0.194 3.769 3.960 0.005 0.000 0.235 254 G C -0.118 174.453 174.900 -0.548 0.000 1.018 254 G CA 0.128 44.967 45.100 -0.435 0.000 0.728 254 G HN 0.358 nan 8.290 nan 0.000 0.508 255 I N 2.202 122.529 120.570 -0.405 0.000 2.278 255 I HA 0.433 4.606 4.170 0.005 0.000 0.296 255 I C 1.507 177.610 176.117 -0.024 0.000 1.121 255 I CA 1.043 62.188 61.300 -0.258 0.000 1.267 255 I CB 1.170 39.048 38.000 -0.203 0.000 1.447 255 I HN 0.330 nan 8.210 nan 0.000 0.509 256 T N 2.289 116.796 114.554 -0.078 0.000 2.969 256 T HA 0.349 4.702 4.350 0.005 0.000 0.258 256 T C 0.759 175.379 174.700 -0.132 0.000 0.962 256 T CA -0.353 61.672 62.100 -0.125 0.000 0.903 256 T CB 0.253 69.086 68.868 -0.058 0.000 1.177 256 T HN 0.310 nan 8.240 nan 0.000 0.511 257 R N 1.717 122.182 120.500 -0.058 0.000 2.637 257 R HA 0.594 4.936 4.340 0.005 0.000 0.291 257 R C -3.155 173.133 176.300 -0.019 0.000 0.963 257 R CA -2.617 53.459 56.100 -0.040 0.000 0.901 257 R CB 0.756 31.052 30.300 -0.006 0.000 1.160 257 R HN 0.031 nan 8.270 nan 0.000 0.457 258 P HA -0.102 nan 4.420 nan 0.000 0.259 258 P C 0.642 177.942 177.300 0.000 0.000 1.163 258 P CA 1.370 64.475 63.100 0.009 0.000 0.760 258 P CB 0.414 32.125 31.700 0.018 0.000 0.762 259 G N 2.162 110.956 108.800 -0.010 0.000 2.213 259 G HA2 -0.177 3.786 3.960 0.005 0.000 0.226 259 G HA3 -0.177 3.786 3.960 0.005 0.000 0.226 259 G C -0.139 174.690 174.900 -0.117 0.000 0.992 259 G CA -0.408 44.662 45.100 -0.049 0.000 0.632 259 G HN 0.493 nan 8.290 nan 0.000 0.511 260 D N 0.659 121.023 120.400 -0.059 0.000 2.424 260 D HA 0.490 5.133 4.640 0.005 0.000 0.244 260 D C 0.309 176.552 176.300 -0.095 0.000 1.134 260 D CA 0.416 54.404 54.000 -0.020 0.000 0.881 260 D CB 1.806 42.613 40.800 0.012 0.000 1.191 260 D HN 0.281 nan 8.370 nan 0.000 0.445 261 V N 3.015 122.864 119.914 -0.109 0.000 2.638 261 V HA 0.293 4.416 4.120 0.005 0.000 0.306 261 V C -0.393 175.748 176.094 0.078 0.000 1.052 261 V CA -0.983 61.245 62.300 -0.119 0.000 0.885 261 V CB 1.962 33.575 31.823 -0.350 0.000 0.999 261 V HN 0.307 nan 8.190 nan 0.000 0.424 262 L N 5.625 126.863 121.223 0.024 0.000 2.309 262 L HA 0.718 5.060 4.340 0.005 0.000 0.282 262 L C -1.153 175.709 176.870 -0.014 0.000 1.036 262 L CA -0.148 54.716 54.840 0.041 0.000 0.806 262 L CB 1.360 43.397 42.059 -0.036 0.000 1.220 262 L HN 0.488 nan 8.230 nan 0.000 0.429 263 L N 5.163 126.349 121.223 -0.061 0.000 2.343 263 L HA 0.488 4.831 4.340 0.005 0.000 0.278 263 L C -0.392 176.289 176.870 -0.315 0.000 0.996 263 L CA -0.274 54.354 54.840 -0.352 0.000 0.831 263 L CB 1.243 42.967 42.059 -0.558 0.000 1.232 263 L HN 0.581 nan 8.230 nan 0.000 0.413 264 K N 3.381 123.607 120.400 -0.290 0.000 2.334 264 K HA 0.407 4.730 4.320 0.005 0.000 0.265 264 K C -0.735 175.766 176.600 -0.164 0.000 1.039 264 K CA -0.306 55.920 56.287 -0.101 0.000 0.920 264 K CB 0.383 32.877 32.500 -0.011 0.000 1.160 264 K HN 0.283 nan 8.250 nan 0.000 0.451 265 F N 2.856 122.796 119.950 -0.018 0.000 2.640 265 F HA 0.227 4.756 4.527 0.004 0.000 0.354 265 F C 1.172 177.052 175.800 0.133 0.000 1.213 265 F CA -0.389 57.631 58.000 0.033 0.000 1.314 265 F CB 0.457 39.364 39.000 -0.155 0.000 1.679 265 F HN 0.553 nan 8.300 nan 0.000 0.622 266 G N -0.035 108.888 108.800 0.206 0.000 2.532 266 G HA2 0.395 4.357 3.960 0.005 0.000 0.291 266 G HA3 0.395 4.357 3.960 0.005 0.000 0.291 266 G C 1.139 176.160 174.900 0.200 0.000 1.349 266 G CA -0.233 44.977 45.100 0.182 0.000 1.038 266 G HN 0.473 nan 8.290 nan 0.000 0.518 267 G N -0.245 108.651 108.800 0.160 0.000 2.476 267 G HA2 0.220 4.182 3.960 0.005 0.000 0.218 267 G HA3 0.220 4.182 3.960 0.005 0.000 0.218 267 G C 0.847 175.833 174.900 0.142 0.000 1.164 267 G CA 1.671 46.865 45.100 0.157 0.000 0.768 267 G HN 1.084 nan 8.290 nan 0.000 0.560 268 A N -0.458 122.424 122.820 0.103 0.000 2.325 268 A HA 0.726 5.049 4.320 0.005 0.000 0.333 268 A C 0.418 178.034 177.584 0.053 0.000 1.155 268 A CA 0.130 52.210 52.037 0.071 0.000 0.814 268 A CB 1.354 20.381 19.000 0.045 0.000 1.206 268 A HN 0.702 nan 8.150 nan 0.000 0.482 269 G N 0.590 109.391 108.800 0.001 0.000 2.400 269 G HA2 0.536 4.499 3.960 0.005 0.000 0.301 269 G HA3 0.536 4.499 3.960 0.005 0.000 0.301 269 G C -1.115 173.752 174.900 -0.056 0.000 1.154 269 G CA -0.276 44.808 45.100 -0.027 0.000 0.852 269 G HN 0.670 nan 8.290 nan 0.000 0.511 270 D N -0.597 119.811 120.400 0.013 0.000 2.527 270 D HA 0.572 5.215 4.640 0.005 0.000 0.233 270 D C -0.675 175.653 176.300 0.046 0.000 1.063 270 D CA -0.302 53.696 54.000 -0.003 0.000 0.880 270 D CB 2.706 43.519 40.800 0.022 0.000 1.457 270 D HN 0.379 nan 8.370 nan 0.000 0.475 271 I N 1.694 122.254 120.570 -0.018 0.000 2.534 271 I HA 0.496 4.669 4.170 0.005 0.000 0.288 271 I C -1.676 174.434 176.117 -0.011 0.000 1.077 271 I CA -0.533 60.769 61.300 0.004 0.000 1.051 271 I CB 0.758 38.757 38.000 -0.001 0.000 1.234 271 I HN 0.332 nan 8.210 nan 0.000 0.425 272 I N 7.485 128.044 120.570 -0.019 0.000 2.582 272 I HA 0.568 4.741 4.170 0.005 0.000 0.292 272 I C -1.124 174.944 176.117 -0.083 0.000 1.066 272 I CA -0.936 60.335 61.300 -0.047 0.000 1.053 272 I CB 2.092 40.058 38.000 -0.057 0.000 1.241 272 I HN 0.207 nan 8.210 nan 0.000 0.421 273 V N 3.725 123.569 119.914 -0.115 0.000 2.760 273 V HA 0.650 4.773 4.120 0.005 0.000 0.309 273 V C -0.007 176.017 176.094 -0.117 0.000 1.077 273 V CA -0.639 61.593 62.300 -0.114 0.000 0.910 273 V CB 2.037 33.792 31.823 -0.114 0.000 1.008 273 V HN 0.871 nan 8.190 nan 0.000 0.424 274 A N 2.792 125.581 122.820 -0.052 0.000 2.310 274 A HA 0.886 5.209 4.320 0.005 0.000 0.299 274 A C 0.028 177.628 177.584 0.026 0.000 1.147 274 A CA -0.151 51.913 52.037 0.044 0.000 0.818 274 A CB 1.193 20.273 19.000 0.134 0.000 1.096 274 A HN 1.146 nan 8.150 nan 0.000 0.495 275 S N 0.618 116.358 115.700 0.067 0.000 2.537 275 S HA 0.553 5.026 4.470 0.005 0.000 0.270 275 S C 0.318 175.024 174.600 0.177 0.000 1.142 275 S CA 0.182 58.454 58.200 0.119 0.000 0.870 275 S CB 1.448 64.746 63.200 0.163 0.000 1.112 275 S HN 1.769 nan 8.310 nan 0.000 0.466 276 A N 2.469 125.383 122.820 0.156 0.000 2.208 276 A HA 0.316 4.639 4.320 0.005 0.000 0.209 276 A C 0.809 178.530 177.584 0.229 0.000 1.161 276 A CA 0.537 52.679 52.037 0.175 0.000 0.782 276 A CB -0.428 18.630 19.000 0.096 0.000 0.816 276 A HN 0.713 nan 8.150 nan 0.000 0.477 277 T N 1.440 116.115 114.554 0.202 0.000 2.749 277 T HA 0.549 4.902 4.350 0.005 0.000 0.287 277 T C -0.102 174.572 174.700 -0.043 0.000 0.970 277 T CA 0.125 62.267 62.100 0.070 0.000 0.980 277 T CB 1.234 70.106 68.868 0.006 0.000 0.924 277 T HN 0.367 nan 8.240 nan 0.000 0.456 278 A N 4.183 126.733 122.820 -0.451 0.000 2.260 278 A HA 0.700 5.022 4.320 0.005 0.000 0.308 278 A C 0.147 177.534 177.584 -0.328 0.000 1.254 278 A CA -0.530 51.028 52.037 -0.798 0.000 0.874 278 A CB 0.332 18.298 19.000 -1.723 0.000 1.153 278 A HN 0.751 nan 8.150 nan 0.000 0.527 279 K N 2.828 123.142 120.400 -0.143 0.000 2.707 279 K HA 0.255 4.578 4.320 0.005 0.000 0.283 279 K C -0.250 176.334 176.600 -0.027 0.000 1.105 279 K CA -0.145 56.082 56.287 -0.100 0.000 1.018 279 K CB 0.905 33.317 32.500 -0.147 0.000 1.315 279 K HN 0.833 nan 8.250 nan 0.000 0.495 280 S N 2.084 117.747 115.700 -0.062 0.000 2.572 280 S HA 0.112 4.585 4.470 0.005 0.000 0.262 280 S C -0.105 174.485 174.600 -0.017 0.000 1.375 280 S CA -0.195 57.983 58.200 -0.036 0.000 0.996 280 S CB 0.731 63.903 63.200 -0.046 0.000 0.892 280 S HN 0.680 nan 8.310 nan 0.000 0.562 281 D N -0.325 120.067 120.400 -0.013 0.000 2.787 281 D HA 0.230 4.873 4.640 0.005 0.000 0.215 281 D C -2.652 173.628 176.300 -0.032 0.000 1.246 281 D CA -1.496 52.490 54.000 -0.023 0.000 0.798 281 D CB 1.834 42.620 40.800 -0.023 0.000 1.649 281 D HN 0.142 nan 8.370 nan 0.000 0.507 282 P HA -0.122 nan 4.420 nan 0.000 0.222 282 P C 0.795 178.061 177.300 -0.056 0.000 1.139 282 P CA 1.231 64.320 63.100 -0.018 0.000 0.790 282 P CB 0.233 31.923 31.700 -0.017 0.000 0.757 283 R N -2.405 118.032 120.500 -0.104 0.000 2.307 283 R HA 0.326 4.669 4.340 0.005 0.000 0.200 283 R C 0.459 176.586 176.300 -0.288 0.000 0.893 283 R CA 0.150 56.144 56.100 -0.176 0.000 1.042 283 R CB 0.464 30.657 30.300 -0.178 0.000 1.059 283 R HN 0.172 nan 8.270 nan 0.000 0.530 284 L N 0.720 121.767 121.223 -0.294 0.000 2.482 284 L HA 0.422 4.765 4.340 0.005 0.000 0.263 284 L C -1.320 175.346 176.870 -0.339 0.000 0.957 284 L CA -1.307 53.287 54.840 -0.409 0.000 0.836 284 L CB 1.945 43.899 42.059 -0.174 0.000 1.324 284 L HN -0.068 nan 8.230 nan 0.000 0.406 285 Y N 1.696 121.996 120.300 0.000 0.000 2.335 285 Y HA 0.627 5.179 4.550 0.004 0.000 0.323 285 Y C -0.136 175.749 175.900 -0.025 0.000 1.224 285 Y CA -1.005 57.089 58.100 -0.011 0.000 1.241 285 Y CB 0.830 39.285 38.460 -0.008 0.000 1.235 285 Y HN 0.296 nan 8.280 nan 0.000 0.492 286 L N 1.765 123.056 121.223 0.113 0.000 2.331 286 L HA 0.590 4.933 4.340 0.005 0.000 0.275 286 L C -1.212 175.668 176.870 0.016 0.000 1.022 286 L CA -0.296 54.553 54.840 0.016 0.000 0.812 286 L CB 1.665 43.689 42.059 -0.059 0.000 1.257 286 L HN 0.809 nan 8.230 nan 0.000 0.435 287 D N 0.607 120.996 120.400 -0.017 0.000 2.570 287 D HA 0.365 5.007 4.640 0.005 0.000 0.244 287 D C -1.587 174.673 176.300 -0.066 0.000 1.178 287 D CA -0.193 53.799 54.000 -0.013 0.000 0.881 287 D CB 1.266 42.076 40.800 0.017 0.000 1.453 287 D HN 0.293 nan 8.370 nan 0.000 0.447 288 Y N 0.578 120.914 120.300 0.059 0.000 2.309 288 Y HA 0.231 4.784 4.550 0.005 0.000 0.327 288 Y C 0.769 176.636 175.900 -0.055 0.000 1.172 288 Y CA 0.018 58.104 58.100 -0.024 0.000 1.280 288 Y CB 0.515 38.946 38.460 -0.049 0.000 1.234 288 Y HN 0.402 nan 8.280 nan 0.000 0.512 289 H N 1.882 120.924 119.070 -0.046 0.000 2.660 289 H HA 0.117 4.676 4.556 0.005 0.000 0.374 289 H C 0.835 176.071 175.328 -0.154 0.000 1.291 289 H CA -0.296 55.673 56.048 -0.131 0.000 1.437 289 H CB 0.754 30.393 29.762 -0.205 0.000 1.509 289 H HN 0.710 nan 8.280 nan 0.000 0.614 290 L N 1.603 122.977 121.223 0.251 0.000 2.109 290 L HA -0.013 4.330 4.340 0.005 0.000 0.207 290 L C 0.404 176.979 176.870 -0.491 0.000 1.086 290 L CA 0.188 55.008 54.840 -0.034 0.000 0.760 290 L CB -0.051 42.026 42.059 0.030 0.000 0.910 290 L HN 0.338 nan 8.230 nan 0.000 0.437 291 V N 1.981 121.365 119.914 -0.884 0.000 2.458 291 V HA 0.032 4.155 4.120 0.005 0.000 0.287 291 V C -1.973 173.650 176.094 -0.785 0.000 1.009 291 V CA -1.026 60.470 62.300 -1.340 0.000 1.091 291 V CB -0.120 30.850 31.823 -1.422 0.000 0.960 291 V HN 0.037 nan 8.190 nan 0.000 0.476 292 P HA 0.215 nan 4.420 nan 0.000 0.263 292 P C 0.994 178.067 177.300 -0.378 0.000 1.195 292 P CA 1.469 64.224 63.100 -0.575 0.000 0.762 292 P CB 0.587 31.885 31.700 -0.669 0.000 0.799 293 G N 2.228 110.853 108.800 -0.292 0.000 2.254 293 G HA2 -0.186 3.777 3.960 0.005 0.000 0.225 293 G HA3 -0.186 3.777 3.960 0.005 0.000 0.225 293 G C -0.130 174.631 174.900 -0.231 0.000 1.003 293 G CA -0.430 44.543 45.100 -0.213 0.000 0.622 293 G HN 0.444 nan 8.290 nan 0.000 0.507 294 L N 0.281 121.340 121.223 -0.274 0.000 2.344 294 L HA 0.736 5.079 4.340 0.005 0.000 0.272 294 L C 0.375 177.096 176.870 -0.248 0.000 1.035 294 L CA -1.345 53.388 54.840 -0.179 0.000 0.807 294 L CB 0.997 42.965 42.059 -0.152 0.000 1.237 294 L HN 0.120 nan 8.230 nan 0.000 0.442 295 Y N -0.001 120.319 120.300 0.034 0.000 2.519 295 Y HA 0.596 5.149 4.550 0.005 0.000 0.324 295 Y C 0.301 176.161 175.900 -0.065 0.000 1.214 295 Y CA -0.767 57.318 58.100 -0.026 0.000 1.260 295 Y CB 1.654 40.067 38.460 -0.078 0.000 1.311 295 Y HN 0.530 nan 8.280 nan 0.000 0.505 296 A N 2.241 125.069 122.820 0.013 0.000 3.216 296 A HA 0.487 4.810 4.320 0.005 0.000 0.321 296 A C -2.960 174.545 177.584 -0.133 0.000 1.042 296 A CA -1.616 50.340 52.037 -0.136 0.000 0.838 296 A CB -0.376 18.445 19.000 -0.298 0.000 1.136 296 A HN 0.363 nan 8.150 nan 0.000 0.483 297 P HA 0.179 nan 4.420 nan 0.000 0.265 297 P C -0.378 176.852 177.300 -0.117 0.000 1.193 297 P CA 0.501 63.474 63.100 -0.211 0.000 0.765 297 P CB 0.559 31.962 31.700 -0.495 0.000 0.823 298 N N 0.313 119.000 118.700 -0.021 0.000 2.610 298 N HA 0.799 5.541 4.740 0.005 0.000 0.264 298 N C -1.106 174.399 175.510 -0.008 0.000 1.348 298 N CA -1.037 52.033 53.050 0.034 0.000 0.819 298 N CB 1.570 40.156 38.487 0.165 0.000 1.521 298 N HN 0.429 nan 8.380 nan 0.000 0.497 299 G N -1.413 107.374 108.800 -0.021 0.000 2.695 299 G HA2 0.622 4.585 3.960 0.005 0.000 0.290 299 G HA3 0.622 4.585 3.960 0.005 0.000 0.290 299 G C -1.620 173.263 174.900 -0.028 0.000 1.410 299 G CA -0.728 44.301 45.100 -0.118 0.000 0.844 299 G HN 0.847 nan 8.290 nan 0.000 0.478 303 A N 0.423 123.294 122.820 0.085 0.000 2.293 303 A HA 0.710 5.033 4.320 0.005 0.000 0.312 303 A C 0.212 177.897 177.584 0.168 0.000 1.309 303 A CA 0.576 52.699 52.037 0.144 0.000 0.839 303 A CB 0.735 19.889 19.000 0.256 0.000 1.155 303 A HN 0.294 nan 8.150 nan 0.000 0.501 304 T N 1.622 116.286 114.554 0.183 0.000 3.216 304 T HA 0.261 4.614 4.350 0.005 0.000 0.167 304 T C 1.941 176.861 174.700 0.366 0.000 0.905 304 T CA 0.802 63.070 62.100 0.280 0.000 1.042 304 T CB -0.554 68.452 68.868 0.230 0.000 1.787 304 T HN 0.679 nan 8.240 nan 0.000 0.355 305 G N 1.637 110.662 108.800 0.375 0.000 2.422 305 G HA2 -0.172 3.791 3.960 0.005 0.000 0.218 305 G HA3 -0.172 3.791 3.960 0.005 0.000 0.218 305 G C 1.877 176.934 174.900 0.263 0.000 1.140 305 G CA 1.644 46.965 45.100 0.367 0.000 0.775 305 G HN 0.605 nan 8.290 nan 0.000 0.545 306 S N 1.318 117.141 115.700 0.204 0.000 2.370 306 S HA 0.054 4.526 4.470 0.005 0.000 0.226 306 S C 2.585 177.267 174.600 0.137 0.000 1.033 306 S CA 1.591 59.885 58.200 0.156 0.000 1.011 306 S CB -0.525 62.742 63.200 0.113 0.000 0.852 306 S HN 0.572 nan 8.310 nan 0.000 0.457 307 A N 1.127 124.014 122.820 0.112 0.000 2.015 307 A HA 0.225 4.548 4.320 0.005 0.000 0.219 307 A C 2.171 179.815 177.584 0.099 0.000 1.163 307 A CA 1.176 53.214 52.037 0.002 0.000 0.646 307 A CB -0.652 18.411 19.000 0.105 0.000 0.806 307 A HN 0.487 nan 8.150 nan 0.000 0.448 308 L N 0.176 121.459 121.223 0.101 0.000 2.109 308 L HA -0.087 4.256 4.340 0.005 0.000 0.207 308 L C 2.163 179.193 176.870 0.267 0.000 1.086 308 L CA 1.209 56.079 54.840 0.050 0.000 0.760 308 L CB -0.580 41.429 42.059 -0.083 0.000 0.910 308 L HN 0.312 nan 8.230 nan 0.000 0.437 309 N N -1.196 117.692 118.700 0.313 0.000 2.084 309 N HA -0.254 4.489 4.740 0.005 0.000 0.190 309 N C 1.580 177.229 175.510 0.232 0.000 1.030 309 N CA 1.344 54.586 53.050 0.319 0.000 0.849 309 N CB -0.555 38.090 38.487 0.263 0.000 1.012 309 N HN 0.412 nan 8.380 nan 0.000 0.423 310 W N 2.012 123.319 121.300 0.012 0.000 2.298 310 W HA -0.209 4.454 4.660 0.004 0.000 0.328 310 W C 2.226 178.728 176.519 -0.029 0.000 1.259 310 W CA 1.409 58.721 57.345 -0.054 0.000 1.251 310 W CB -0.865 28.478 29.460 -0.195 0.000 1.161 310 W HN 0.096 nan 8.180 nan 0.000 0.466 311 L N 1.336 122.530 121.223 -0.049 0.000 2.141 311 L HA 0.036 4.379 4.340 0.005 0.000 0.209 311 L C 2.459 179.256 176.870 -0.122 0.000 1.094 311 L CA 2.510 57.186 54.840 -0.273 0.000 0.763 311 L CB -1.397 40.691 42.059 0.050 0.000 0.908 311 L HN 0.121 nan 8.230 nan 0.000 0.437 312 A N -0.559 122.276 122.820 0.024 0.000 1.933 312 A HA -0.228 4.095 4.320 0.005 0.000 0.218 312 A C 2.300 179.773 177.584 -0.185 0.000 1.175 312 A CA 1.916 53.825 52.037 -0.213 0.000 0.628 312 A CB -0.444 18.389 19.000 -0.279 0.000 0.814 312 A HN 0.522 nan 8.150 nan 0.000 0.444 313 K N -0.403 119.916 120.400 -0.135 0.000 2.062 313 K HA 0.053 4.376 4.320 0.005 0.000 0.205 313 K C 1.852 178.336 176.600 -0.193 0.000 1.051 313 K CA 1.141 57.351 56.287 -0.129 0.000 0.941 313 K CB -0.353 32.097 32.500 -0.082 0.000 0.719 313 K HN 0.437 nan 8.250 nan 0.000 0.440 314 L N 0.485 121.523 121.223 -0.309 0.000 2.046 314 L HA -0.202 4.140 4.340 0.005 0.000 0.208 314 L C 2.084 178.809 176.870 -0.242 0.000 1.077 314 L CA 0.889 55.533 54.840 -0.326 0.000 0.747 314 L CB -0.237 41.499 42.059 -0.537 0.000 0.896 314 L HN 0.139 nan 8.230 nan 0.000 0.432 315 L N -0.960 120.118 121.223 -0.242 0.000 2.354 315 L HA 0.159 4.502 4.340 0.005 0.000 0.212 315 L C 1.218 177.970 176.870 -0.197 0.000 1.091 315 L CA 0.841 55.558 54.840 -0.206 0.000 0.828 315 L CB -0.364 41.575 42.059 -0.200 0.000 0.973 315 L HN 0.086 nan 8.230 nan 0.000 0.461 316 A N -1.346 121.349 122.820 -0.208 0.000 3.297 316 A HA 0.509 4.831 4.320 0.005 0.000 0.304 316 A C -1.756 175.749 177.584 -0.131 0.000 0.963 316 A CA -0.798 51.131 52.037 -0.180 0.000 0.935 316 A CB -0.132 18.729 19.000 -0.232 0.000 1.093 316 A HN 0.040 nan 8.150 nan 0.000 0.480 317 P HA -0.194 nan 4.420 nan 0.000 0.214 317 P C 0.237 177.499 177.300 -0.065 0.000 1.169 317 P CA 1.525 64.573 63.100 -0.087 0.000 0.908 317 P CB 0.147 31.801 31.700 -0.077 0.000 0.791 318 E N -1.247 118.917 120.200 -0.061 0.000 2.674 318 E HA 0.464 4.817 4.350 0.005 0.000 0.240 318 E C 0.526 177.096 176.600 -0.051 0.000 1.213 318 E CA -0.251 56.121 56.400 -0.046 0.000 1.357 318 E CB 0.108 29.785 29.700 -0.039 0.000 1.467 318 E HN 0.119 nan 8.360 nan 0.000 0.448 319 A N 1.287 124.073 122.820 -0.058 0.000 2.324 319 A HA 0.564 4.887 4.320 0.005 0.000 0.220 319 A C 1.356 178.916 177.584 -0.041 0.000 1.209 319 A CA 0.362 52.363 52.037 -0.060 0.000 0.918 319 A CB 0.027 18.973 19.000 -0.090 0.000 0.959 319 A HN 0.540 nan 8.150 nan 0.000 0.507 320 G N 0.804 109.587 108.800 -0.030 0.000 2.547 320 G HA2 -0.370 3.593 3.960 0.005 0.000 0.271 320 G HA3 -0.370 3.593 3.960 0.005 0.000 0.271 320 G C 0.664 175.559 174.900 -0.009 0.000 1.209 320 G CA 0.428 45.519 45.100 -0.016 0.000 0.959 320 G HN 0.580 nan 8.290 nan 0.000 0.563 321 E N 0.380 120.574 120.200 -0.009 0.000 2.110 321 E HA 0.033 4.386 4.350 0.005 0.000 0.193 321 E C 2.679 179.275 176.600 -0.007 0.000 0.988 321 E CA 1.474 57.867 56.400 -0.011 0.000 0.804 321 E CB -0.291 29.399 29.700 -0.016 0.000 0.745 321 E HN 1.105 nan 8.360 nan 0.000 0.458 322 A N 1.682 124.492 122.820 -0.016 0.000 2.225 322 A HA 0.074 4.397 4.320 0.005 0.000 0.215 322 A C 2.351 179.912 177.584 -0.038 0.000 1.164 322 A CA 1.109 53.132 52.037 -0.023 0.000 0.710 322 A CB -0.561 18.420 19.000 -0.033 0.000 0.780 322 A HN 0.334 nan 8.150 nan 0.000 0.473 323 A N 0.067 122.869 122.820 -0.029 0.000 1.869 323 A HA -0.261 4.062 4.320 0.005 0.000 0.218 323 A C 1.955 179.417 177.584 -0.204 0.000 1.203 323 A CA 2.210 54.184 52.037 -0.105 0.000 0.638 323 A CB -1.016 17.951 19.000 -0.056 0.000 0.831 323 A HN 0.624 nan 8.150 nan 0.000 0.450 324 H N -0.339 118.585 119.070 -0.244 0.000 2.319 324 H HA 0.011 4.570 4.556 0.005 0.000 0.299 324 H C 2.481 177.705 175.328 -0.172 0.000 1.092 324 H CA 1.672 57.584 56.048 -0.227 0.000 1.302 324 H CB -0.639 29.140 29.762 0.029 0.000 1.373 324 H HN 0.525 nan 8.280 nan 0.000 0.497 325 A N 0.818 123.665 122.820 0.045 0.000 1.892 325 A HA -0.287 4.036 4.320 0.005 0.000 0.218 325 A C 2.236 179.775 177.584 -0.075 0.000 1.188 325 A CA 2.064 54.104 52.037 0.005 0.000 0.631 325 A CB -0.603 18.400 19.000 0.006 0.000 0.822 325 A HN 0.520 nan 8.150 nan 0.000 0.447 326 Q N -0.666 119.055 119.800 -0.132 0.000 2.050 326 Q HA -0.095 4.248 4.340 0.005 0.000 0.202 326 Q C 2.138 177.990 176.000 -0.246 0.000 0.980 326 Q CA 1.492 57.199 55.803 -0.161 0.000 0.840 326 Q CB -0.323 28.321 28.738 -0.156 0.000 0.898 326 Q HN 0.697 nan 8.270 nan 0.000 0.424 327 L N 0.684 121.625 121.223 -0.470 0.000 2.131 327 L HA -0.206 4.137 4.340 0.005 0.000 0.210 327 L C 1.798 178.378 176.870 -0.483 0.000 1.092 327 L CA 0.787 55.179 54.840 -0.746 0.000 0.759 327 L CB -0.335 40.688 42.059 -1.727 0.000 0.903 327 L HN 0.146 nan 8.230 nan 0.000 0.435 328 D N 0.236 120.502 120.400 -0.223 0.000 2.097 328 D HA -0.151 4.492 4.640 0.005 0.000 0.195 328 D C 2.275 178.612 176.300 0.062 0.000 0.989 328 D CA 1.496 55.566 54.000 0.118 0.000 0.827 328 D CB -0.054 40.838 40.800 0.154 0.000 0.966 328 D HN 0.284 nan 8.370 nan 0.000 0.456 329 A N 0.552 123.366 122.820 -0.010 0.000 1.908 329 A HA -0.152 4.171 4.320 0.005 0.000 0.218 329 A C 2.049 179.628 177.584 -0.009 0.000 1.181 329 A CA 0.947 52.980 52.037 -0.007 0.000 0.627 329 A CB -0.572 18.411 19.000 -0.027 0.000 0.818 329 A HN 0.159 nan 8.150 nan 0.000 0.445 330 L N -0.541 120.659 121.223 -0.038 0.000 2.017 330 L HA -0.120 4.223 4.340 0.005 0.000 0.208 330 L C 3.008 179.885 176.870 0.011 0.000 1.073 330 L CA 2.043 56.868 54.840 -0.024 0.000 0.745 330 L CB -1.654 40.375 42.059 -0.050 0.000 0.894 330 L HN 0.437 nan 8.230 nan 0.000 0.432 331 A N -0.547 122.316 122.820 0.072 0.000 1.933 331 A HA -0.144 4.179 4.320 0.005 0.000 0.218 331 A C 2.524 180.141 177.584 0.056 0.000 1.175 331 A CA 1.658 53.757 52.037 0.104 0.000 0.628 331 A CB -0.692 18.465 19.000 0.262 0.000 0.814 331 A HN 0.407 nan 8.150 nan 0.000 0.444 332 A N 0.258 123.115 122.820 0.061 0.000 1.940 332 A HA -0.267 4.056 4.320 0.005 0.000 0.221 332 A C 1.857 179.451 177.584 0.016 0.000 1.190 332 A CA 2.199 54.261 52.037 0.042 0.000 0.647 332 A CB -0.532 18.491 19.000 0.038 0.000 0.821 332 A HN 0.674 nan 8.150 nan 0.000 0.457 333 E N -0.755 119.444 120.200 -0.002 0.000 2.463 333 E HA 0.218 4.570 4.350 0.005 0.000 0.191 333 E C -0.567 176.007 176.600 -0.043 0.000 1.083 333 E CA -0.027 56.365 56.400 -0.014 0.000 0.872 333 E CB -0.086 29.607 29.700 -0.010 0.000 0.966 333 E HN 0.236 nan 8.360 nan 0.000 0.491 334 V N 2.091 121.965 119.914 -0.067 0.000 2.604 334 V HA 0.408 4.530 4.120 0.005 0.000 0.305 334 V C -2.269 173.781 176.094 -0.073 0.000 1.043 334 V CA -2.262 59.947 62.300 -0.153 0.000 0.888 334 V CB 1.767 33.397 31.823 -0.321 0.000 0.995 334 V HN 0.157 nan 8.190 nan 0.000 0.429 335 P HA 0.227 nan 4.420 nan 0.000 0.271 335 P C -0.281 177.013 177.300 -0.009 0.000 1.218 335 P CA -0.120 62.970 63.100 -0.017 0.000 0.780 335 P CB 0.444 32.145 31.700 0.001 0.000 0.901 336 A N 2.358 125.158 122.820 -0.033 0.000 2.598 336 A HA 0.336 4.659 4.320 0.005 0.000 0.239 336 A C 1.581 179.088 177.584 -0.128 0.000 1.032 336 A CA 1.013 52.986 52.037 -0.106 0.000 0.760 336 A CB -1.560 17.226 19.000 -0.357 0.000 0.946 336 A HN 0.929 nan 8.150 nan 0.000 0.512 337 G N 1.237 110.027 108.800 -0.018 0.000 2.217 337 G HA2 0.131 4.093 3.960 0.005 0.000 0.246 337 G HA3 0.131 4.093 3.960 0.005 0.000 0.246 337 G C 1.105 176.082 174.900 0.127 0.000 0.990 337 G CA 1.049 46.176 45.100 0.046 0.000 0.627 337 G HN 2.686 nan 8.290 nan 0.000 0.522 338 A N -0.447 122.456 122.820 0.138 0.000 2.799 338 A HA 0.009 4.332 4.320 0.005 0.000 0.287 338 A C 1.000 178.839 177.584 0.425 0.000 1.484 338 A CA 1.929 54.115 52.037 0.249 0.000 0.813 338 A CB -1.728 17.428 19.000 0.261 0.000 1.009 338 A HN 1.901 nan 8.150 nan 0.000 0.545 339 D N -3.323 117.247 120.400 0.285 0.000 2.775 339 D HA -0.136 4.506 4.640 0.005 0.000 0.235 339 D C 1.272 177.755 176.300 0.304 0.000 1.120 339 D CA 2.409 56.578 54.000 0.283 0.000 0.708 339 D CB -1.432 39.561 40.800 0.322 0.000 1.084 339 D HN 2.369 nan 8.370 nan 0.000 0.434 340 G N -0.742 108.176 108.800 0.196 0.000 2.175 340 G HA2 -0.320 3.643 3.960 0.005 0.000 0.244 340 G HA3 -0.320 3.643 3.960 0.005 0.000 0.244 340 G C 0.447 175.405 174.900 0.097 0.000 0.982 340 G CA 0.248 45.432 45.100 0.140 0.000 0.641 340 G HN 0.460 nan 8.290 nan 0.000 0.527 341 L N 0.821 122.095 121.223 0.086 0.000 2.453 341 L HA 0.477 4.820 4.340 0.005 0.000 0.272 341 L C 0.314 177.235 176.870 0.084 0.000 1.182 341 L CA -0.092 54.759 54.840 0.018 0.000 0.858 341 L CB 1.266 43.347 42.059 0.036 0.000 1.120 341 L HN 0.009 nan 8.230 nan 0.000 0.474 342 V N 2.885 122.841 119.914 0.071 0.000 2.569 342 V HA 0.247 4.370 4.120 0.005 0.000 0.301 342 V C -0.465 175.630 176.094 0.002 0.000 1.044 342 V CA -0.724 61.615 62.300 0.066 0.000 0.874 342 V CB 1.874 33.730 31.823 0.055 0.000 1.002 342 V HN 0.902 nan 8.190 nan 0.000 0.424 343 C N 6.920 126.189 119.300 -0.053 0.000 2.379 343 C HA 0.764 5.226 4.460 0.005 0.000 0.323 343 C C -0.354 174.487 174.990 -0.249 0.000 1.262 343 C CA -0.541 58.282 59.018 -0.325 0.000 1.581 343 C CB 0.042 27.448 27.740 -0.555 0.000 2.221 343 C HN 0.882 nan 8.230 nan 0.000 0.497 344 L N 7.587 128.564 121.223 -0.411 0.000 2.264 344 L HA 0.422 4.765 4.340 0.005 0.000 0.289 344 L C -1.735 174.594 176.870 -0.902 0.000 1.044 344 L CA -1.286 53.195 54.840 -0.598 0.000 0.807 344 L CB 1.621 43.422 42.059 -0.430 0.000 1.192 344 L HN 0.566 nan 8.230 nan 0.000 0.425 345 P HA 0.133 nan 4.420 nan 0.000 0.231 345 P C -0.901 175.857 177.300 -0.904 0.000 1.833 345 P CA -0.188 62.409 63.100 -0.837 0.000 1.023 345 P CB -0.149 31.381 31.700 -0.283 0.000 1.643 346 Y N -0.427 119.439 120.300 -0.722 0.000 2.849 346 Y HA 0.328 4.879 4.550 0.003 0.000 0.356 346 Y C 1.147 176.662 175.900 -0.643 0.000 1.236 346 Y CA -1.244 56.516 58.100 -0.567 0.000 1.508 346 Y CB -1.226 36.950 38.460 -0.474 0.000 1.619 346 Y HN -0.104 nan 8.280 nan 0.000 0.513 347 F N -0.405 119.419 119.950 -0.210 0.000 2.407 347 F HA -0.058 4.473 4.527 0.006 0.000 0.299 347 F C 1.174 176.795 175.800 -0.298 0.000 1.097 347 F CA 0.796 58.611 58.000 -0.308 0.000 1.422 347 F CB 0.003 38.751 39.000 -0.420 0.000 1.067 347 F HN 0.217 nan 8.300 nan 0.000 0.539 348 L N -0.789 120.344 121.223 -0.151 0.000 2.857 348 L HA 0.473 4.816 4.340 0.005 0.000 0.249 348 L C 0.932 177.344 176.870 -0.765 0.000 1.172 348 L CA 0.051 54.740 54.840 -0.252 0.000 0.980 348 L CB -0.352 41.657 42.059 -0.084 0.000 1.299 348 L HN 0.180 nan 8.230 nan 0.000 0.535 349 G N 0.022 108.309 108.800 -0.855 0.000 2.610 349 G HA2 -0.125 3.838 3.960 0.005 0.000 0.304 349 G HA3 -0.125 3.838 3.960 0.005 0.000 0.304 349 G C -0.516 174.104 174.900 -0.467 0.000 1.309 349 G CA -0.117 44.334 45.100 -1.082 0.000 0.906 349 G HN 0.263 nan 8.290 nan 0.000 0.521 350 E N -0.632 119.325 120.200 -0.406 0.000 2.428 350 E HA 0.833 5.186 4.350 0.005 0.000 0.259 350 E C -0.297 176.212 176.600 -0.151 0.000 0.930 350 E CA -0.943 55.251 56.400 -0.344 0.000 0.823 350 E CB 1.533 30.742 29.700 -0.819 0.000 1.403 350 E HN 0.655 nan 8.360 nan 0.000 0.415 357 P HA 0.353 nan 4.420 nan 0.000 0.321 357 P C -0.786 176.743 177.300 0.382 0.000 1.304 357 P CA -0.398 62.913 63.100 0.351 0.000 0.759 357 P CB 0.395 32.433 31.700 0.563 0.000 1.385 358 F N -0.048 119.913 119.950 0.017 0.000 2.541 358 F HA 0.418 4.947 4.527 0.002 0.000 0.351 358 F C 1.117 176.690 175.800 -0.378 0.000 1.209 358 F CA -0.693 57.221 58.000 -0.143 0.000 1.277 358 F CB 0.088 39.027 39.000 -0.102 0.000 1.632 358 F HN 0.269 nan 8.300 nan 0.000 0.619 359 A N 1.718 124.261 122.820 -0.461 0.000 2.287 359 A HA 0.710 5.033 4.320 0.005 0.000 0.273 359 A C 0.029 177.119 177.584 -0.822 0.000 1.091 359 A CA -0.291 51.135 52.037 -1.018 0.000 0.817 359 A CB 0.556 19.258 19.000 -0.496 0.000 1.069 359 A HN 0.541 nan 8.150 nan 0.000 0.492 360 S N -0.608 114.537 115.700 -0.925 0.000 2.632 360 S HA 0.711 5.183 4.470 0.005 0.000 0.289 360 S C 0.208 174.579 174.600 -0.381 0.000 1.115 360 S CA -0.238 57.686 58.200 -0.459 0.000 0.889 360 S CB 0.980 64.026 63.200 -0.257 0.000 1.116 360 S HN 1.733 nan 8.310 nan 0.000 0.486 361 G N 0.928 109.407 108.800 -0.534 0.000 2.224 361 G HA2 0.420 4.382 3.960 0.005 0.000 0.239 361 G HA3 0.420 4.382 3.960 0.005 0.000 0.239 361 G C -0.530 174.211 174.900 -0.264 0.000 1.240 361 G CA 0.038 44.641 45.100 -0.828 0.000 0.896 361 G HN 0.748 nan 8.290 nan 0.000 0.496 362 T N 1.959 116.322 114.554 -0.319 0.000 2.881 362 T HA 0.505 4.857 4.350 0.005 0.000 0.290 362 T C -0.905 173.655 174.700 -0.233 0.000 1.000 362 T CA -0.195 61.847 62.100 -0.096 0.000 0.978 362 T CB 1.167 70.031 68.868 -0.007 0.000 0.997 362 T HN 0.317 nan 8.240 nan 0.000 0.443 363 F N 1.344 121.332 119.950 0.064 0.000 2.507 363 F HA 0.712 5.241 4.527 0.004 0.000 0.325 363 F C 0.694 176.500 175.800 0.011 0.000 1.116 363 F CA -0.553 57.477 58.000 0.050 0.000 0.930 363 F CB 2.482 41.532 39.000 0.083 0.000 1.146 363 F HN 0.451 nan 8.300 nan 0.000 0.447 364 T N 0.582 115.221 114.554 0.142 0.000 2.864 364 T HA 0.540 4.893 4.350 0.005 0.000 0.299 364 T C 0.203 174.919 174.700 0.026 0.000 1.166 364 T CA 0.056 62.190 62.100 0.057 0.000 1.007 364 T CB 1.472 70.344 68.868 0.006 0.000 1.219 364 T HN 1.094 nan 8.240 nan 0.000 0.506 365 G N 1.558 110.362 108.800 0.006 0.000 2.136 365 G HA2 -0.171 3.792 3.960 0.005 0.000 0.242 365 G HA3 -0.171 3.792 3.960 0.005 0.000 0.242 365 G C 0.033 174.904 174.900 -0.047 0.000 0.989 365 G CA 0.307 45.407 45.100 0.000 0.000 0.682 365 G HN 0.772 nan 8.290 nan 0.000 0.522 366 L N 1.172 122.360 121.223 -0.058 0.000 2.426 366 L HA 0.565 4.907 4.340 0.005 0.000 0.271 366 L C 1.027 177.961 176.870 0.106 0.000 1.169 366 L CA 0.626 55.415 54.840 -0.084 0.000 0.836 366 L CB 1.307 43.346 42.059 -0.033 0.000 1.112 366 L HN 0.547 nan 8.230 nan 0.000 0.465 367 S N 1.721 117.622 115.700 0.335 0.000 2.607 367 S HA 0.450 4.923 4.470 0.005 0.000 0.273 367 S C 0.341 175.017 174.600 0.126 0.000 1.148 367 S CA -0.935 57.379 58.200 0.191 0.000 0.833 367 S CB 1.110 64.383 63.200 0.123 0.000 1.130 367 S HN 0.507 nan 8.310 nan 0.000 0.470 368 L N 1.612 122.848 121.223 0.021 0.000 2.549 368 L HA 0.009 4.352 4.340 0.005 0.000 0.229 368 L C 2.231 179.060 176.870 -0.069 0.000 1.158 368 L CA 0.700 55.532 54.840 -0.013 0.000 0.842 368 L CB -0.646 41.403 42.059 -0.017 0.000 0.952 368 L HN 0.717 nan 8.230 nan 0.000 0.452 369 S N -2.405 113.199 115.700 -0.160 0.000 2.436 369 S HA -0.038 4.435 4.470 0.005 0.000 0.228 369 S C 0.568 174.915 174.600 -0.422 0.000 1.014 369 S CA 0.191 58.220 58.200 -0.285 0.000 0.950 369 S CB -0.253 62.730 63.200 -0.363 0.000 0.784 369 S HN 0.455 nan 8.310 nan 0.000 0.504 370 H N 1.812 120.719 119.070 -0.271 0.000 2.871 370 H HA 0.305 4.864 4.556 0.005 0.000 0.355 370 H C 0.940 176.179 175.328 -0.149 0.000 1.092 370 H CA 0.630 56.427 56.048 -0.418 0.000 1.420 370 H CB 0.443 30.029 29.762 -0.293 0.000 1.400 370 H HN 0.213 nan 8.280 nan 0.000 0.604 371 T N -1.387 113.249 114.554 0.136 0.000 2.910 371 T HA 0.262 4.615 4.350 0.005 0.000 0.287 371 T C 1.294 176.098 174.700 0.173 0.000 1.050 371 T CA -1.197 61.001 62.100 0.164 0.000 1.011 371 T CB 1.562 70.564 68.868 0.224 0.000 1.195 371 T HN 0.792 nan 8.240 nan 0.000 0.540 372 R N 0.148 120.696 120.500 0.080 0.000 2.159 372 R HA 0.013 4.356 4.340 0.005 0.000 0.237 372 R C 2.123 178.485 176.300 0.104 0.000 1.131 372 R CA 1.632 57.758 56.100 0.044 0.000 0.982 372 R CB -1.370 28.907 30.300 -0.038 0.000 0.868 372 R HN 0.718 nan 8.270 nan 0.000 0.453 373 G N 0.856 109.725 108.800 0.115 0.000 2.418 373 G HA2 -0.273 3.690 3.960 0.005 0.000 0.217 373 G HA3 -0.273 3.690 3.960 0.005 0.000 0.217 373 G C 0.772 175.760 174.900 0.146 0.000 1.158 373 G CA 1.163 46.328 45.100 0.109 0.000 0.771 373 G HN 0.432 nan 8.290 nan 0.000 0.545 374 H N -0.046 119.111 119.070 0.144 0.000 2.353 374 H HA 0.080 4.639 4.556 0.005 0.000 0.300 374 H C 2.640 178.063 175.328 0.159 0.000 1.090 374 H CA 1.155 57.308 56.048 0.174 0.000 1.327 374 H CB -0.143 29.771 29.762 0.252 0.000 1.383 374 H HN 0.173 nan 8.280 nan 0.000 0.508 375 L N -0.633 120.744 121.223 0.256 0.000 2.017 375 L HA -0.243 4.100 4.340 0.005 0.000 0.208 375 L C 2.439 179.453 176.870 0.241 0.000 1.073 375 L CA 1.387 56.318 54.840 0.152 0.000 0.745 375 L CB -0.618 41.419 42.059 -0.037 0.000 0.894 375 L HN 0.594 nan 8.230 nan 0.000 0.432 376 W N 1.543 122.848 121.300 0.008 0.000 2.335 376 W HA -0.303 4.360 4.660 0.005 0.000 0.311 376 W C 2.762 179.278 176.519 -0.005 0.000 1.213 376 W CA 1.827 59.151 57.345 -0.036 0.000 1.274 376 W CB -0.133 29.270 29.460 -0.096 0.000 1.148 376 W HN 0.177 nan 8.180 nan 0.000 0.498 377 R N 0.677 121.251 120.500 0.123 0.000 2.073 377 R HA -0.152 4.190 4.340 0.005 0.000 0.234 377 R C 2.488 178.811 176.300 0.039 0.000 1.134 377 R CA 2.211 58.332 56.100 0.034 0.000 0.952 377 R CB -0.858 29.495 30.300 0.089 0.000 0.850 377 R HN 0.065 nan 8.270 nan 0.000 0.433 378 A N 0.990 123.893 122.820 0.138 0.000 1.908 378 A HA -0.177 4.145 4.320 0.005 0.000 0.218 378 A C 2.038 179.689 177.584 0.111 0.000 1.181 378 A CA 1.468 53.609 52.037 0.173 0.000 0.627 378 A CB -0.662 18.510 19.000 0.286 0.000 0.818 378 A HN 0.412 nan 8.150 nan 0.000 0.445 379 L N -0.230 121.052 121.223 0.098 0.000 2.056 379 L HA -0.056 4.287 4.340 0.005 0.000 0.207 379 L C 2.265 179.054 176.870 -0.135 0.000 1.078 379 L CA 1.517 56.361 54.840 0.006 0.000 0.749 379 L CB -0.559 41.499 42.059 -0.001 0.000 0.901 379 L HN 0.402 nan 8.230 nan 0.000 0.433 380 L N -0.650 120.364 121.223 -0.348 0.000 2.012 380 L HA -0.251 4.091 4.340 0.005 0.000 0.210 380 L C 2.539 179.507 176.870 0.164 0.000 1.073 380 L CA 1.836 56.474 54.840 -0.337 0.000 0.748 380 L CB -0.623 41.133 42.059 -0.505 0.000 0.891 380 L HN 0.400 nan 8.230 nan 0.000 0.431 381 E N -0.125 120.124 120.200 0.082 0.000 2.072 381 E HA -0.160 4.193 4.350 0.005 0.000 0.190 381 E C 2.305 178.926 176.600 0.036 0.000 0.982 381 E CA 0.979 57.428 56.400 0.083 0.000 0.803 381 E CB -0.121 29.671 29.700 0.152 0.000 0.755 381 E HN 0.476 nan 8.360 nan 0.000 0.453 382 A N 1.088 123.927 122.820 0.032 0.000 1.883 382 A HA -0.174 4.149 4.320 0.005 0.000 0.217 382 A C 2.510 180.088 177.584 -0.010 0.000 1.186 382 A CA 1.307 53.328 52.037 -0.028 0.000 0.624 382 A CB -0.794 18.200 19.000 -0.010 0.000 0.822 382 A HN 0.122 nan 8.150 nan 0.000 0.444 383 V N -0.180 119.825 119.914 0.153 0.000 2.295 383 V HA -0.269 3.854 4.120 0.005 0.000 0.246 383 V C 3.076 179.326 176.094 0.261 0.000 1.049 383 V CA 1.974 64.430 62.300 0.260 0.000 1.024 383 V CB -1.255 30.925 31.823 0.596 0.000 0.648 383 V HN 0.647 nan 8.190 nan 0.000 0.447 384 A N -0.275 122.720 122.820 0.290 0.000 1.892 384 A HA -0.227 4.096 4.320 0.005 0.000 0.218 384 A C 2.130 179.745 177.584 0.052 0.000 1.188 384 A CA 2.013 54.155 52.037 0.174 0.000 0.631 384 A CB -0.674 18.330 19.000 0.006 0.000 0.822 384 A HN 0.402 nan 8.150 nan 0.000 0.447 385 L N -0.544 120.603 121.223 -0.126 0.000 2.079 385 L HA -0.149 4.194 4.340 0.005 0.000 0.210 385 L C 2.939 179.652 176.870 -0.262 0.000 1.081 385 L CA 1.907 56.556 54.840 -0.318 0.000 0.752 385 L CB -1.293 40.254 42.059 -0.854 0.000 0.896 385 L HN 0.440 nan 8.230 nan 0.000 0.433 386 A N -1.729 120.985 122.820 -0.176 0.000 1.930 386 A HA -0.192 4.131 4.320 0.005 0.000 0.217 386 A C 2.153 179.852 177.584 0.192 0.000 1.175 386 A CA 1.161 53.275 52.037 0.129 0.000 0.627 386 A CB -0.743 18.350 19.000 0.154 0.000 0.815 386 A HN 0.312 nan 8.150 nan 0.000 0.443 387 F N -0.010 120.001 119.950 0.101 0.000 2.134 387 F HA -0.112 4.419 4.527 0.006 0.000 0.299 387 F C 2.397 178.250 175.800 0.087 0.000 1.097 387 F CA 1.628 59.658 58.000 0.050 0.000 1.264 387 F CB -0.442 38.505 39.000 -0.087 0.000 1.001 387 F HN 0.236 nan 8.300 nan 0.000 0.479 388 R N -0.597 120.036 120.500 0.223 0.000 2.091 388 R HA -0.236 4.107 4.340 0.005 0.000 0.238 388 R C 2.438 178.856 176.300 0.196 0.000 1.136 388 R CA 1.997 58.152 56.100 0.092 0.000 0.959 388 R CB -0.802 29.450 30.300 -0.079 0.000 0.856 388 R HN 0.457 nan 8.270 nan 0.000 0.437 389 H N -0.863 118.351 119.070 0.241 0.000 2.290 389 H HA -0.192 4.367 4.556 0.005 0.000 0.298 389 H C 1.825 177.226 175.328 0.122 0.000 1.087 389 H CA 2.183 58.394 56.048 0.271 0.000 1.291 389 H CB -0.116 29.830 29.762 0.307 0.000 1.369 389 H HN 0.436 nan 8.280 nan 0.000 0.492 390 H N -0.419 118.628 119.070 -0.037 0.000 2.325 390 H HA -0.176 4.383 4.556 0.005 0.000 0.293 390 H C 2.574 177.913 175.328 0.019 0.000 1.106 390 H CA 2.119 58.118 56.048 -0.083 0.000 1.247 390 H CB -0.226 29.523 29.762 -0.022 0.000 1.359 390 H HN 0.131 nan 8.280 nan 0.000 0.488 391 V N 0.479 120.530 119.914 0.228 0.000 2.332 391 V HA -0.302 3.821 4.120 0.005 0.000 0.248 391 V C 2.587 178.762 176.094 0.135 0.000 1.055 391 V CA 1.709 64.128 62.300 0.199 0.000 1.038 391 V CB -1.087 30.860 31.823 0.207 0.000 0.651 391 V HN 0.625 nan 8.190 nan 0.000 0.450 392 A N -0.250 122.638 122.820 0.113 0.000 1.902 392 A HA -0.159 4.164 4.320 0.005 0.000 0.217 392 A C 2.401 180.036 177.584 0.085 0.000 1.181 392 A CA 2.097 54.195 52.037 0.102 0.000 0.623 392 A CB -0.679 18.419 19.000 0.163 0.000 0.818 392 A HN 0.342 nan 8.150 nan 0.000 0.443 393 V N 0.115 120.057 119.914 0.046 0.000 2.295 393 V HA -0.218 3.904 4.120 0.005 0.000 0.246 393 V C 2.520 178.636 176.094 0.037 0.000 1.049 393 V CA 1.638 63.935 62.300 -0.005 0.000 1.024 393 V CB -0.750 30.989 31.823 -0.139 0.000 0.648 393 V HN 0.468 nan 8.190 nan 0.000 0.447 394 L N -0.024 121.248 121.223 0.081 0.000 1.990 394 L HA -0.233 4.110 4.340 0.005 0.000 0.213 394 L C 2.391 179.323 176.870 0.103 0.000 1.072 394 L CA 2.131 57.059 54.840 0.147 0.000 0.755 394 L CB -1.657 40.491 42.059 0.148 0.000 0.889 394 L HN 0.404 nan 8.230 nan 0.000 0.432 395 D N -0.137 120.311 120.400 0.080 0.000 2.106 395 D HA -0.224 4.418 4.640 0.005 0.000 0.191 395 D C 1.700 178.004 176.300 0.008 0.000 0.997 395 D CA 1.481 55.511 54.000 0.048 0.000 0.834 395 D CB 0.118 40.953 40.800 0.059 0.000 0.956 395 D HN 0.294 nan 8.370 nan 0.000 0.448 396 D N -0.160 120.248 120.400 0.013 0.000 2.123 396 D HA -0.121 4.521 4.640 0.005 0.000 0.196 396 D C 2.065 178.333 176.300 -0.052 0.000 0.992 396 D CA 0.617 54.613 54.000 -0.008 0.000 0.833 396 D CB -0.266 40.538 40.800 0.007 0.000 0.954 396 D HN 0.393 nan 8.370 nan 0.000 0.455 397 I N -1.050 119.472 120.570 -0.080 0.000 3.111 397 I HA 0.070 4.243 4.170 0.005 0.000 0.272 397 I C 1.542 177.472 176.117 -0.313 0.000 1.268 397 I CA 0.693 61.888 61.300 -0.176 0.000 1.467 397 I CB -0.010 37.882 38.000 -0.180 0.000 1.087 397 I HN 0.110 nan 8.210 nan 0.000 0.467 398 G N 0.480 109.128 108.800 -0.252 0.000 2.148 398 G HA2 -0.246 3.717 3.960 0.005 0.000 0.203 398 G HA3 -0.246 3.717 3.960 0.005 0.000 0.203 398 G C 0.410 175.146 174.900 -0.273 0.000 0.993 398 G CA -0.062 44.895 45.100 -0.238 0.000 0.661 398 G HN 0.509 nan 8.290 nan 0.000 0.518 399 H N 0.345 119.406 119.070 -0.016 0.000 2.551 399 H HA 0.486 5.044 4.556 0.004 0.000 0.266 399 H C 1.967 177.288 175.328 -0.011 0.000 0.977 399 H CA 0.994 57.034 56.048 -0.014 0.000 1.163 399 H CB 0.381 30.133 29.762 -0.016 0.000 1.381 399 H HN 1.421 nan 8.280 nan 0.000 0.581 400 A N 0.902 123.761 122.820 0.064 0.000 2.466 400 A HA -0.139 4.184 4.320 0.005 0.000 0.295 400 A C -2.203 175.400 177.584 0.031 0.000 1.465 400 A CA -0.186 51.877 52.037 0.042 0.000 0.744 400 A CB -1.685 17.331 19.000 0.026 0.000 1.098 400 A HN 0.259 nan 8.150 nan 0.000 0.402 401 P HA 0.158 nan 4.420 nan 0.000 0.264 401 P C 0.660 177.906 177.300 -0.091 0.000 1.193 401 P CA 0.799 63.860 63.100 -0.065 0.000 0.763 401 P CB 0.548 32.282 31.700 0.057 0.000 0.810 402 Q N 2.115 121.742 119.800 -0.288 0.000 2.106 402 Q HA 0.172 4.514 4.340 0.005 0.000 0.230 402 Q C 0.454 176.347 176.000 -0.179 0.000 0.720 402 Q CA -0.403 55.339 55.803 -0.103 0.000 0.899 402 Q CB 0.661 29.395 28.738 -0.008 0.000 1.232 402 Q HN 0.204 nan 8.270 nan 0.000 0.461 403 R N 0.680 120.953 120.500 -0.378 0.000 2.310 403 R HA 0.517 4.860 4.340 0.005 0.000 0.324 403 R C -1.746 174.306 176.300 -0.415 0.000 0.955 403 R CA -0.439 55.519 56.100 -0.237 0.000 0.830 403 R CB 0.823 31.098 30.300 -0.041 0.000 1.154 403 R HN -0.020 nan 8.270 nan 0.000 0.458 404 F N 4.534 124.331 119.950 -0.256 0.000 2.469 404 F HA 0.517 5.046 4.527 0.004 0.000 0.332 404 F C -0.463 175.064 175.800 -0.454 0.000 1.103 404 F CA -0.553 57.334 58.000 -0.188 0.000 0.979 404 F CB 1.431 40.342 39.000 -0.149 0.000 1.137 404 F HN 0.335 nan 8.300 nan 0.000 0.463 405 F N 1.435 121.435 119.950 0.084 0.000 2.565 405 F HA 0.774 5.304 4.527 0.004 0.000 0.313 405 F C -0.160 175.647 175.800 0.011 0.000 1.091 405 F CA -1.057 56.957 58.000 0.024 0.000 0.915 405 F CB 1.931 40.921 39.000 -0.016 0.000 1.208 405 F HN 0.520 nan 8.300 nan 0.000 0.453 406 A N 1.559 124.471 122.820 0.155 0.000 2.374 406 A HA 0.883 5.206 4.320 0.005 0.000 0.317 406 A C -0.626 177.028 177.584 0.116 0.000 1.094 406 A CA -0.377 51.734 52.037 0.123 0.000 0.765 406 A CB 1.540 20.588 19.000 0.079 0.000 1.268 406 A HN 0.865 nan 8.150 nan 0.000 0.438 407 S N 1.150 116.929 115.700 0.131 0.000 2.720 407 S HA 0.846 5.319 4.470 0.005 0.000 0.287 407 S C -0.607 174.075 174.600 0.136 0.000 1.168 407 S CA 0.096 58.356 58.200 0.100 0.000 0.832 407 S CB 1.523 64.762 63.200 0.065 0.000 1.166 407 S HN 1.301 nan 8.310 nan 0.000 0.493 408 D N -1.095 119.369 120.400 0.106 0.000 4.808 408 D HA -0.115 4.527 4.640 0.005 0.000 0.304 408 D C 1.217 177.604 176.300 0.145 0.000 2.360 408 D CA 1.267 55.343 54.000 0.126 0.000 1.222 408 D CB -1.279 39.613 40.800 0.152 0.000 1.085 408 D HN 0.993 nan 8.370 nan 0.000 1.266 409 G N -0.043 108.859 108.800 0.169 0.000 2.469 409 G HA2 -0.162 3.801 3.960 0.005 0.000 0.219 409 G HA3 -0.162 3.801 3.960 0.005 0.000 0.219 409 G C 1.421 176.448 174.900 0.212 0.000 1.150 409 G CA 1.941 47.143 45.100 0.171 0.000 0.763 409 G HN 0.657 nan 8.290 nan 0.000 0.561 410 G N 0.403 109.382 108.800 0.297 0.000 2.470 410 G HA2 -0.119 3.844 3.960 0.005 0.000 0.220 410 G HA3 -0.119 3.844 3.960 0.005 0.000 0.220 410 G C 1.910 176.816 174.900 0.011 0.000 1.121 410 G CA 1.900 47.187 45.100 0.312 0.000 0.766 410 G HN 0.606 nan 8.290 nan 0.000 0.553 411 T N -1.267 113.256 114.554 -0.053 0.000 2.977 411 T HA -0.028 4.325 4.350 0.005 0.000 0.271 411 T C 2.166 176.864 174.700 -0.002 0.000 1.105 411 T CA 0.663 62.708 62.100 -0.091 0.000 1.116 411 T CB -0.232 68.613 68.868 -0.039 0.000 0.878 411 T HN 0.328 nan 8.240 nan 0.000 0.509 412 R N 1.276 121.811 120.500 0.059 0.000 2.280 412 R HA 0.137 4.480 4.340 0.005 0.000 0.207 412 R C 1.079 177.436 176.300 0.095 0.000 1.043 412 R CA 0.483 56.625 56.100 0.070 0.000 1.006 412 R CB -0.015 30.331 30.300 0.077 0.000 0.885 412 R HN 0.378 nan 8.270 nan 0.000 0.467 413 S N 0.499 116.280 115.700 0.136 0.000 2.410 413 S HA 0.177 4.650 4.470 0.005 0.000 0.304 413 S C 0.801 175.471 174.600 0.117 0.000 1.095 413 S CA -0.768 57.535 58.200 0.172 0.000 1.089 413 S CB 1.401 64.779 63.200 0.298 0.000 0.968 413 S HN 0.081 nan 8.310 nan 0.000 0.480 414 R N 4.316 124.867 120.500 0.084 0.000 2.115 414 R HA 0.046 4.389 4.340 0.005 0.000 0.230 414 R C 1.515 177.856 176.300 0.068 0.000 1.111 414 R CA 1.763 57.892 56.100 0.050 0.000 0.976 414 R CB -1.086 29.237 30.300 0.038 0.000 0.870 414 R HN 0.596 nan 8.270 nan 0.000 0.445 415 V N -0.406 119.574 119.914 0.110 0.000 2.358 415 V HA -0.133 3.989 4.120 0.005 0.000 0.246 415 V C 1.385 177.584 176.094 0.175 0.000 1.047 415 V CA 1.086 63.462 62.300 0.126 0.000 1.035 415 V CB -0.676 31.231 31.823 0.140 0.000 0.658 415 V HN 0.313 nan 8.190 nan 0.000 0.452 422 D N 0.465 120.806 120.400 -0.098 0.000 2.263 422 D HA -0.022 4.621 4.640 0.005 0.000 0.208 422 D C 1.754 178.036 176.300 -0.031 0.000 0.971 422 D CA 1.620 55.625 54.000 0.007 0.000 0.867 422 D CB 0.209 41.122 40.800 0.189 0.000 0.929 422 D HN 0.259 nan 8.370 nan 0.000 0.492 423 V N 0.314 120.062 119.914 -0.276 0.000 2.599 423 V HA -0.069 4.053 4.120 0.005 0.000 0.245 423 V C 2.150 178.119 176.094 -0.209 0.000 1.046 423 V CA 0.562 62.665 62.300 -0.327 0.000 1.065 423 V CB 0.097 31.623 31.823 -0.496 0.000 0.703 423 V HN 0.100 nan 8.190 nan 0.000 0.464 424 L N -0.287 120.788 121.223 -0.246 0.000 2.131 424 L HA 0.099 4.442 4.340 0.005 0.000 0.206 424 L C 1.341 178.060 176.870 -0.252 0.000 1.087 424 L CA 1.399 56.058 54.840 -0.301 0.000 0.767 424 L CB -0.177 41.617 42.059 -0.440 0.000 0.917 424 L HN 0.406 nan 8.230 nan 0.000 0.441 425 Q N 0.442 120.128 119.800 -0.190 0.000 2.493 425 Q HA -0.198 4.144 4.340 0.005 0.000 0.278 425 Q C -0.582 175.326 176.000 -0.152 0.000 1.216 425 Q CA 0.842 56.570 55.803 -0.125 0.000 0.875 425 Q CB -1.275 27.412 28.738 -0.085 0.000 1.262 425 Q HN 0.572 nan 8.270 nan 0.000 0.468 426 R N -0.731 119.634 120.500 -0.225 0.000 2.707 426 R HA 0.601 4.944 4.340 0.005 0.000 0.272 426 R C -2.572 173.625 176.300 -0.172 0.000 1.011 426 R CA -2.066 53.922 56.100 -0.187 0.000 0.893 426 R CB 1.593 31.745 30.300 -0.246 0.000 1.233 426 R HN -0.127 nan 8.270 nan 0.000 0.464 427 P HA 0.046 nan 4.420 nan 0.000 0.268 427 P C -1.041 176.195 177.300 -0.107 0.000 1.205 427 P CA -0.184 62.861 63.100 -0.091 0.000 0.771 427 P CB 0.633 32.292 31.700 -0.067 0.000 0.858 428 V N 3.699 123.538 119.914 -0.125 0.000 2.409 428 V HA 0.258 4.381 4.120 0.005 0.000 0.291 428 V C 0.068 176.079 176.094 -0.139 0.000 1.020 428 V CA -0.505 61.720 62.300 -0.125 0.000 0.848 428 V CB 1.350 33.091 31.823 -0.137 0.000 0.990 428 V HN 0.399 nan 8.190 nan 0.000 0.430 429 Q N 4.954 124.625 119.800 -0.215 0.000 2.361 429 Q HA 0.450 4.793 4.340 0.005 0.000 0.250 429 Q C -0.856 175.127 176.000 -0.028 0.000 1.023 429 Q CA 0.101 55.803 55.803 -0.169 0.000 0.915 429 Q CB 0.727 29.264 28.738 -0.334 0.000 1.238 429 Q HN 0.703 nan 8.270 nan 0.000 0.451 430 L N 5.381 126.594 121.223 -0.017 0.000 2.417 430 L HA 0.455 4.797 4.340 0.005 0.000 0.268 430 L C -0.215 176.684 176.870 0.048 0.000 1.158 430 L CA -0.689 54.157 54.840 0.010 0.000 0.819 430 L CB 0.250 42.296 42.059 -0.023 0.000 1.112 430 L HN 0.729 nan 8.230 nan 0.000 0.458 431 L N 0.916 122.174 121.223 0.059 0.000 2.622 431 L HA 0.948 5.291 4.340 0.005 0.000 0.258 431 L C -1.067 175.826 176.870 0.038 0.000 0.996 431 L CA -0.685 54.187 54.840 0.053 0.000 0.858 431 L CB 2.011 44.115 42.059 0.076 0.000 1.449 431 L HN 0.500 nan 8.230 nan 0.000 0.411 432 A N 1.020 123.855 122.820 0.025 0.000 2.342 432 A HA 0.729 5.052 4.320 0.005 0.000 0.323 432 A C -0.758 176.833 177.584 0.012 0.000 1.125 432 A CA -0.401 51.651 52.037 0.023 0.000 0.785 432 A CB 0.927 19.940 19.000 0.022 0.000 1.221 432 A HN 0.907 nan 8.150 nan 0.000 0.463 433 N N 3.033 121.742 118.700 0.015 0.000 2.752 433 N HA 0.311 5.053 4.740 0.005 0.000 0.260 433 N C -2.052 173.466 175.510 0.013 0.000 1.562 433 N CA -1.473 51.578 53.050 0.002 0.000 0.788 433 N CB 1.198 39.681 38.487 -0.007 0.000 1.192 433 N HN 0.378 nan 8.380 nan 0.000 0.503 434 P HA -0.018 nan 4.420 nan 0.000 0.215 434 P C 1.330 178.644 177.300 0.024 0.000 1.157 434 P CA 0.362 63.476 63.100 0.024 0.000 0.856 434 P CB 0.427 32.141 31.700 0.023 0.000 0.786 435 L N -1.314 119.921 121.223 0.020 0.000 2.187 435 L HA 0.022 4.365 4.340 0.005 0.000 0.213 435 L C 1.736 178.620 176.870 0.023 0.000 1.100 435 L CA 1.956 56.810 54.840 0.023 0.000 0.765 435 L CB -1.733 40.339 42.059 0.022 0.000 0.904 435 L HN 0.273 nan 8.230 nan 0.000 0.437 436 G N -1.726 107.085 108.800 0.017 0.000 2.496 436 G HA2 -0.337 3.626 3.960 0.005 0.000 0.243 436 G HA3 -0.337 3.626 3.960 0.005 0.000 0.243 436 G C 0.919 175.826 174.900 0.011 0.000 1.176 436 G CA 0.139 45.249 45.100 0.017 0.000 0.940 436 G HN 0.097 nan 8.290 nan 0.000 0.573 437 S N 0.917 116.626 115.700 0.014 0.000 2.447 437 S HA 0.165 4.638 4.470 0.005 0.000 0.233 437 S C 2.687 177.293 174.600 0.010 0.000 1.006 437 S CA 1.910 60.113 58.200 0.006 0.000 0.957 437 S CB -0.414 62.787 63.200 0.002 0.000 0.773 437 S HN 1.653 nan 8.310 nan 0.000 0.507 438 A N 1.343 124.174 122.820 0.019 0.000 1.972 438 A HA -0.046 4.277 4.320 0.005 0.000 0.219 438 A C 2.279 179.891 177.584 0.046 0.000 1.169 438 A CA 1.358 53.413 52.037 0.030 0.000 0.635 438 A CB -0.820 18.202 19.000 0.036 0.000 0.810 438 A HN 0.358 nan 8.150 nan 0.000 0.446 439 V N -0.124 119.815 119.914 0.042 0.000 2.343 439 V HA -0.184 3.939 4.120 0.005 0.000 0.247 439 V C 2.828 178.978 176.094 0.092 0.000 1.051 439 V CA 1.930 64.264 62.300 0.057 0.000 1.036 439 V CB -1.462 30.366 31.823 0.008 0.000 0.654 439 V HN 0.605 nan 8.190 nan 0.000 0.451 440 G N -0.472 108.365 108.800 0.061 0.000 2.442 440 G HA2 -0.215 3.748 3.960 0.005 0.000 0.219 440 G HA3 -0.215 3.748 3.960 0.005 0.000 0.219 440 G C 1.717 176.708 174.900 0.152 0.000 1.141 440 G CA 1.141 46.301 45.100 0.101 0.000 0.763 440 G HN 0.616 nan 8.290 nan 0.000 0.554 441 A N 1.104 123.978 122.820 0.089 0.000 1.872 441 A HA 0.406 4.729 4.320 0.005 0.000 0.214 441 A C 2.834 180.465 177.584 0.078 0.000 1.187 441 A CA 1.921 54.000 52.037 0.069 0.000 0.614 441 A CB -0.827 18.186 19.000 0.021 0.000 0.826 441 A HN 0.776 nan 8.150 nan 0.000 0.442 442 A N -1.331 121.546 122.820 0.095 0.000 1.948 442 A HA -0.245 4.078 4.320 0.005 0.000 0.220 442 A C 2.123 179.743 177.584 0.060 0.000 1.177 442 A CA 1.425 53.508 52.037 0.077 0.000 0.636 442 A CB -0.998 18.072 19.000 0.116 0.000 0.815 442 A HN 0.822 nan 8.150 nan 0.000 0.449 443 W N 0.347 121.603 121.300 -0.073 0.000 2.374 443 W HA -0.142 4.521 4.660 0.005 0.000 0.288 443 W C 1.876 178.271 176.519 -0.207 0.000 1.218 443 W CA 1.681 58.955 57.345 -0.118 0.000 1.245 443 W CB 0.039 29.474 29.460 -0.040 0.000 1.126 443 W HN 0.238 nan 8.180 nan 0.000 0.545 444 V N 0.855 120.753 119.914 -0.027 0.000 2.407 444 V HA -0.269 3.853 4.120 0.005 0.000 0.248 444 V C 2.427 178.165 176.094 -0.594 0.000 1.055 444 V CA 2.102 64.313 62.300 -0.149 0.000 1.049 444 V CB -1.283 30.564 31.823 0.040 0.000 0.662 444 V HN 0.216 nan 8.190 nan 0.000 0.455 445 A N -0.507 121.979 122.820 -0.557 0.000 2.021 445 A HA 0.180 4.503 4.320 0.005 0.000 0.216 445 A C 2.357 179.590 177.584 -0.585 0.000 1.163 445 A CA 1.358 52.939 52.037 -0.759 0.000 0.676 445 A CB -0.442 18.425 19.000 -0.221 0.000 0.818 445 A HN 0.507 nan 8.150 nan 0.000 0.453 446 A N 0.251 122.705 122.820 -0.609 0.000 1.877 446 A HA -0.067 4.255 4.320 0.005 0.000 0.216 446 A C 1.991 179.110 177.584 -0.775 0.000 1.186 446 A CA 1.547 53.150 52.037 -0.722 0.000 0.620 446 A CB -0.546 17.777 19.000 -1.129 0.000 0.822 446 A HN 0.447 nan 8.150 nan 0.000 0.443 447 I N -0.301 119.692 120.570 -0.963 0.000 2.830 447 I HA -0.104 4.068 4.170 0.005 0.000 0.263 447 I C 2.369 178.157 176.117 -0.548 0.000 1.230 447 I CA 0.807 61.586 61.300 -0.869 0.000 1.480 447 I CB -0.106 37.098 38.000 -1.326 0.000 1.095 447 I HN 0.398 nan 8.210 nan 0.000 0.455 448 G N -0.157 108.327 108.800 -0.525 0.000 2.551 448 G HA2 -0.064 3.899 3.960 0.005 0.000 0.216 448 G HA3 -0.064 3.899 3.960 0.005 0.000 0.216 448 G C 1.502 176.356 174.900 -0.077 0.000 1.137 448 G CA 0.542 45.492 45.100 -0.249 0.000 0.798 448 G HN 0.472 nan 8.290 nan 0.000 0.536 449 G N -0.427 108.277 108.800 -0.159 0.000 3.314 449 G HA2 0.511 4.474 3.960 0.005 0.000 0.238 449 G HA3 0.511 4.474 3.960 0.005 0.000 0.238 449 G C 0.434 175.254 174.900 -0.133 0.000 1.184 449 G CA 0.562 45.604 45.100 -0.096 0.000 0.806 449 G HN 0.823 nan 8.290 nan 0.000 0.536 450 G N -0.133 108.567 108.800 -0.167 0.000 2.313 450 G HA2 0.377 4.340 3.960 0.005 0.000 0.296 450 G HA3 0.377 4.340 3.960 0.005 0.000 0.296 450 G C -1.159 173.636 174.900 -0.175 0.000 1.356 450 G CA -0.191 44.822 45.100 -0.145 0.000 0.833 450 G HN 0.048 nan 8.290 nan 0.000 0.552 451 D N -0.720 119.598 120.400 -0.136 0.000 2.535 451 D HA 0.168 4.810 4.640 0.005 0.000 0.229 451 D C 0.888 177.120 176.300 -0.113 0.000 1.238 451 D CA 0.239 54.159 54.000 -0.132 0.000 0.824 451 D CB 0.607 41.354 40.800 -0.087 0.000 1.045 451 D HN 0.378 nan 8.370 nan 0.000 0.500 452 D N 0.728 121.057 120.400 -0.119 0.000 2.378 452 D HA -0.064 4.579 4.640 0.005 0.000 0.227 452 D C 0.284 176.528 176.300 -0.093 0.000 1.012 452 D CA 0.292 54.238 54.000 -0.090 0.000 0.905 452 D CB 0.471 41.221 40.800 -0.083 0.000 0.895 452 D HN 0.289 nan 8.370 nan 0.000 0.532 453 L N -0.347 120.788 121.223 -0.146 0.000 2.422 453 L HA 0.602 4.945 4.340 0.005 0.000 0.264 453 L C 0.506 177.288 176.870 -0.148 0.000 0.984 453 L CA -1.130 53.634 54.840 -0.127 0.000 0.819 453 L CB 2.601 44.526 42.059 -0.224 0.000 1.330 453 L HN -0.127 nan 8.230 nan 0.000 0.410 454 G N -0.372 108.416 108.800 -0.020 0.000 2.491 454 G HA2 0.332 4.295 3.960 0.005 0.000 0.327 454 G HA3 0.332 4.295 3.960 0.005 0.000 0.327 454 G C -0.311 174.671 174.900 0.136 0.000 1.189 454 G CA -0.353 44.745 45.100 -0.003 0.000 0.956 454 G HN 0.754 nan 8.290 nan 0.000 0.491 455 W N -0.635 120.772 121.300 0.178 0.000 2.333 455 W HA -0.045 4.618 4.660 0.005 0.000 0.316 455 W C 2.175 178.782 176.519 0.145 0.000 1.215 455 W CA 1.333 58.833 57.345 0.259 0.000 1.278 455 W CB -0.300 29.190 29.460 0.050 0.000 1.154 455 W HN 0.709 nan 8.180 nan 0.000 0.486 456 D N -0.098 120.458 120.400 0.259 0.000 6.734 456 D HA -0.318 4.325 4.640 0.005 0.000 0.249 456 D C 1.336 177.647 176.300 0.018 0.000 1.914 456 D CA 2.452 56.515 54.000 0.105 0.000 0.743 456 D CB -0.483 40.388 40.800 0.119 0.000 0.703 456 D HN 0.121 nan 8.370 nan 0.000 0.928 457 D N -0.879 119.589 120.400 0.112 0.000 2.355 457 D HA -0.048 4.595 4.640 0.005 0.000 0.218 457 D C 2.037 178.054 176.300 -0.471 0.000 1.004 457 D CA 0.097 54.127 54.000 0.051 0.000 0.880 457 D CB 0.060 41.063 40.800 0.337 0.000 0.911 457 D HN 0.200 nan 8.370 nan 0.000 0.528 458 V N 0.846 120.099 119.914 -1.101 0.000 2.439 458 V HA -0.256 3.867 4.120 0.005 0.000 0.253 458 V C 2.173 177.742 176.094 -0.874 0.000 1.074 458 V CA 1.978 63.166 62.300 -1.855 0.000 1.076 458 V CB -0.417 30.588 31.823 -1.363 0.000 0.664 458 V HN 0.130 nan 8.190 nan 0.000 0.461 459 T N -0.452 113.807 114.554 -0.492 0.000 3.113 459 T HA 0.088 4.441 4.350 0.005 0.000 0.263 459 T C 1.683 176.264 174.700 -0.200 0.000 1.143 459 T CA 0.866 62.795 62.100 -0.285 0.000 1.090 459 T CB -0.288 68.473 68.868 -0.177 0.000 0.922 459 T HN 0.687 nan 8.240 nan 0.000 0.521 460 A N 0.443 123.135 122.820 -0.213 0.000 2.178 460 A HA 0.064 4.387 4.320 0.005 0.000 0.218 460 A C 1.732 179.251 177.584 -0.108 0.000 1.157 460 A CA 0.916 52.882 52.037 -0.118 0.000 0.689 460 A CB -0.269 18.691 19.000 -0.068 0.000 0.787 460 A HN 0.427 nan 8.150 nan 0.000 0.465 461 L N -1.015 120.103 121.223 -0.175 0.000 2.693 461 L HA 0.201 4.543 4.340 0.005 0.000 0.235 461 L C 0.652 177.468 176.870 -0.090 0.000 1.127 461 L CA 0.535 55.307 54.840 -0.113 0.000 0.914 461 L CB 0.327 42.301 42.059 -0.141 0.000 1.193 461 L HN 0.335 nan 8.230 nan 0.000 0.502 462 V N -2.448 117.403 119.914 -0.104 0.000 3.103 462 V HA 0.558 4.681 4.120 0.005 0.000 0.318 462 V C 0.356 176.427 176.094 -0.039 0.000 1.114 462 V CA -1.108 61.152 62.300 -0.066 0.000 1.020 462 V CB 1.975 33.752 31.823 -0.077 0.000 1.085 462 V HN 0.148 nan 8.190 nan 0.000 0.446 463 R N 1.571 122.060 120.500 -0.019 0.000 3.657 463 R HA 0.305 4.647 4.340 0.005 0.000 0.220 463 R C 0.252 176.555 176.300 0.006 0.000 1.548 463 R CA 0.032 56.130 56.100 -0.004 0.000 1.465 463 R CB -0.431 29.871 30.300 0.003 0.000 1.330 463 R HN 1.013 nan 8.270 nan 0.000 0.707 464 T N 0.766 115.324 114.554 0.007 0.000 2.916 464 T HA 0.340 4.693 4.350 0.005 0.000 0.303 464 T C 0.530 175.242 174.700 0.021 0.000 1.025 464 T CA 0.312 62.428 62.100 0.027 0.000 1.142 464 T CB 0.942 69.830 68.868 0.033 0.000 0.947 464 T HN 0.731 nan 8.240 nan 0.000 0.544 465 G N 2.841 111.655 108.800 0.023 0.000 3.356 465 G HA2 0.389 4.351 3.960 0.005 0.000 0.178 465 G HA3 0.389 4.351 3.960 0.005 0.000 0.178 465 G C -0.525 174.377 174.900 0.002 0.000 1.130 465 G CA -0.514 44.592 45.100 0.011 0.000 0.800 465 G HN 0.773 nan 8.290 nan 0.000 0.669 466 E N 0.556 120.753 120.200 -0.006 0.000 2.344 466 E HA 0.269 4.621 4.350 0.005 0.000 0.270 466 E C -0.378 176.204 176.600 -0.029 0.000 1.021 466 E CA -0.284 56.107 56.400 -0.015 0.000 0.887 466 E CB 0.654 30.345 29.700 -0.016 0.000 0.997 466 E HN 0.293 nan 8.360 nan 0.000 0.429 467 K N 5.666 126.045 120.400 -0.035 0.000 2.253 467 K HA 0.269 4.592 4.320 0.005 0.000 0.277 467 K C -0.781 175.786 176.600 -0.055 0.000 1.053 467 K CA -0.426 55.827 56.287 -0.057 0.000 0.892 467 K CB 0.585 33.048 32.500 -0.061 0.000 1.102 467 K HN 0.513 nan 8.250 nan 0.000 0.469 468 I N 4.383 124.912 120.570 -0.068 0.000 2.336 468 I HA 0.128 4.301 4.170 0.005 0.000 0.292 468 I C 0.377 176.455 176.117 -0.064 0.000 0.991 468 I CA -0.690 60.574 61.300 -0.060 0.000 1.227 468 I CB 1.787 39.745 38.000 -0.070 0.000 1.366 468 I HN 0.694 nan 8.210 nan 0.000 0.466 469 T N 3.801 118.326 114.554 -0.048 0.000 2.875 469 T HA 0.529 4.882 4.350 0.005 0.000 0.284 469 T C -2.430 172.245 174.700 -0.042 0.000 0.995 469 T CA -1.859 60.213 62.100 -0.047 0.000 1.060 469 T CB 1.278 70.126 68.868 -0.033 0.000 0.967 469 T HN 0.197 nan 8.240 nan 0.000 0.476 470 P HA 0.272 nan 4.420 nan 0.000 0.272 470 P C -0.771 176.523 177.300 -0.011 0.000 1.240 470 P CA -0.367 62.712 63.100 -0.035 0.000 0.791 470 P CB 0.373 32.043 31.700 -0.050 0.000 0.978 471 D N 1.344 121.750 120.400 0.010 0.000 2.359 471 D HA 0.186 4.829 4.640 0.005 0.000 0.230 471 D C -1.931 174.380 176.300 0.018 0.000 1.118 471 D CA -2.425 51.583 54.000 0.014 0.000 0.844 471 D CB 0.756 41.570 40.800 0.023 0.000 1.059 471 D HN 0.027 nan 8.370 nan 0.000 0.493 472 P HA -0.004 nan 4.420 nan 0.000 0.225 472 P C 0.837 178.143 177.300 0.010 0.000 1.148 472 P CA 0.765 63.869 63.100 0.006 0.000 0.779 472 P CB 0.268 31.968 31.700 0.000 0.000 0.780 473 A N -0.768 122.057 122.820 0.008 0.000 2.119 473 A HA -0.105 4.218 4.320 0.005 0.000 0.217 473 A C 1.997 179.579 177.584 -0.004 0.000 1.153 473 A CA 1.396 53.434 52.037 0.001 0.000 0.692 473 A CB -0.673 18.326 19.000 -0.002 0.000 0.799 473 A HN -0.015 nan 8.150 nan 0.000 0.458 474 K N -0.310 120.097 120.400 0.012 0.000 2.426 474 K HA 0.345 4.668 4.320 0.005 0.000 0.193 474 K C 1.787 178.415 176.600 0.046 0.000 1.028 474 K CA 0.731 57.023 56.287 0.008 0.000 1.047 474 K CB -0.331 32.225 32.500 0.094 0.000 0.821 474 K HN 0.361 nan 8.250 nan 0.000 0.513 475 A N 0.530 123.380 122.820 0.050 0.000 1.972 475 A HA -0.191 4.132 4.320 0.005 0.000 0.219 475 A C 2.085 179.698 177.584 0.048 0.000 1.169 475 A CA 1.695 53.768 52.037 0.060 0.000 0.635 475 A CB -0.278 18.739 19.000 0.029 0.000 0.810 475 A HN 0.426 nan 8.150 nan 0.000 0.446 476 E N -0.543 119.666 120.200 0.016 0.000 2.112 476 E HA -0.082 4.271 4.350 0.005 0.000 0.190 476 E C 1.943 178.540 176.600 -0.004 0.000 0.979 476 E CA 1.058 57.465 56.400 0.010 0.000 0.814 476 E CB -0.067 29.634 29.700 0.001 0.000 0.762 476 E HN 0.345 nan 8.360 nan 0.000 0.460 477 V N 0.106 119.983 119.914 -0.063 0.000 2.307 477 V HA -0.229 3.894 4.120 0.005 0.000 0.245 477 V C 1.752 177.787 176.094 -0.099 0.000 1.045 477 V CA 1.713 63.937 62.300 -0.127 0.000 1.024 477 V CB -0.508 31.164 31.823 -0.252 0.000 0.651 477 V HN 0.351 nan 8.190 nan 0.000 0.449 478 Y N 0.811 121.133 120.300 0.037 0.000 2.293 478 Y HA -0.081 4.472 4.550 0.004 0.000 0.291 478 Y C 2.474 178.418 175.900 0.074 0.000 1.137 478 Y CA 1.384 59.511 58.100 0.045 0.000 1.202 478 Y CB -0.699 37.770 38.460 0.016 0.000 0.990 478 Y HN 0.362 nan 8.280 nan 0.000 0.537 479 D N -0.190 120.323 120.400 0.187 0.000 2.104 479 D HA -0.158 4.485 4.640 0.005 0.000 0.194 479 D C 2.225 178.641 176.300 0.194 0.000 0.994 479 D CA 1.285 55.382 54.000 0.160 0.000 0.830 479 D CB -0.183 40.672 40.800 0.092 0.000 0.959 479 D HN 0.292 nan 8.370 nan 0.000 0.452 480 R N -0.166 120.413 120.500 0.132 0.000 2.092 480 R HA -0.091 4.252 4.340 0.005 0.000 0.231 480 R C 2.273 178.656 176.300 0.138 0.000 1.119 480 R CA 0.389 56.556 56.100 0.112 0.000 0.970 480 R CB -0.367 29.971 30.300 0.064 0.000 0.864 480 R HN 0.127 nan 8.270 nan 0.000 0.440 481 L N 0.030 121.352 121.223 0.165 0.000 2.017 481 L HA -0.213 4.130 4.340 0.005 0.000 0.208 481 L C 2.077 179.080 176.870 0.222 0.000 1.073 481 L CA 1.687 56.642 54.840 0.192 0.000 0.745 481 L CB -0.719 41.491 42.059 0.253 0.000 0.894 481 L HN 0.109 nan 8.230 nan 0.000 0.432 482 Y N 0.603 120.977 120.300 0.124 0.000 2.128 482 Y HA -0.318 4.236 4.550 0.007 0.000 0.284 482 Y C 2.913 178.915 175.900 0.169 0.000 1.154 482 Y CA 2.435 60.600 58.100 0.108 0.000 1.149 482 Y CB -0.307 38.191 38.460 0.063 0.000 0.976 482 Y HN 0.275 nan 8.280 nan 0.000 0.505 483 R N 0.143 120.747 120.500 0.173 0.000 2.081 483 R HA -0.175 4.168 4.340 0.005 0.000 0.235 483 R C 1.623 177.938 176.300 0.024 0.000 1.131 483 R CA 2.140 58.285 56.100 0.074 0.000 0.960 483 R CB -0.540 29.827 30.300 0.112 0.000 0.856 483 R HN 0.288 nan 8.270 nan 0.000 0.436 484 D N 0.244 120.685 120.400 0.069 0.000 2.104 484 D HA -0.186 4.457 4.640 0.005 0.000 0.194 484 D C 1.580 177.914 176.300 0.056 0.000 0.994 484 D CA 1.405 55.439 54.000 0.057 0.000 0.830 484 D CB -0.489 40.359 40.800 0.079 0.000 0.959 484 D HN 0.267 nan 8.370 nan 0.000 0.452 485 F N 1.481 121.372 119.950 -0.099 0.000 2.091 485 F HA -0.258 4.274 4.527 0.008 0.000 0.299 485 F C 2.409 178.122 175.800 -0.146 0.000 1.103 485 F CA 1.608 59.533 58.000 -0.124 0.000 1.228 485 F CB -0.305 38.602 39.000 -0.155 0.000 0.984 485 F HN -0.169 nan 8.300 nan 0.000 0.477 486 S N 0.225 115.821 115.700 -0.173 0.000 2.368 486 S HA -0.168 4.305 4.470 0.005 0.000 0.225 486 S C 2.209 176.721 174.600 -0.147 0.000 1.030 486 S CA 1.169 59.209 58.200 -0.266 0.000 0.999 486 S CB -0.795 62.230 63.200 -0.292 0.000 0.844 486 S HN 0.569 nan 8.310 nan 0.000 0.459 487 A N 0.736 123.497 122.820 -0.098 0.000 2.014 487 A HA 0.080 4.403 4.320 0.005 0.000 0.218 487 A C 1.997 179.534 177.584 -0.080 0.000 1.163 487 A CA 0.775 52.770 52.037 -0.071 0.000 0.652 487 A CB -0.468 18.505 19.000 -0.044 0.000 0.808 487 A HN 0.412 nan 8.150 nan 0.000 0.449 488 L N -1.355 119.816 121.223 -0.087 0.000 1.994 488 L HA -0.143 4.200 4.340 0.005 0.000 0.208 488 L C 2.246 179.072 176.870 -0.072 0.000 1.071 488 L CA 2.346 57.133 54.840 -0.089 0.000 0.745 488 L CB -1.172 40.833 42.059 -0.090 0.000 0.892 488 L HN 0.521 nan 8.230 nan 0.000 0.431 489 Y N 0.311 120.491 120.300 -0.199 0.000 2.145 489 Y HA -0.192 4.364 4.550 0.010 0.000 0.286 489 Y C 2.395 178.275 175.900 -0.033 0.000 1.145 489 Y CA 1.825 59.873 58.100 -0.087 0.000 1.148 489 Y CB -0.722 37.641 38.460 -0.163 0.000 0.981 489 Y HN 0.261 nan 8.280 nan 0.000 0.507 490 A N -1.029 121.695 122.820 -0.160 0.000 1.933 490 A HA -0.182 4.141 4.320 0.005 0.000 0.218 490 A C 2.238 179.713 177.584 -0.180 0.000 1.175 490 A CA 2.259 54.168 52.037 -0.212 0.000 0.628 490 A CB -1.244 17.688 19.000 -0.113 0.000 0.814 490 A HN 0.506 nan 8.150 nan 0.000 0.444 491 T N 0.078 114.536 114.554 -0.159 0.000 2.812 491 T HA 0.029 4.382 4.350 0.005 0.000 0.264 491 T C 1.552 176.124 174.700 -0.214 0.000 1.042 491 T CA 1.170 63.179 62.100 -0.151 0.000 1.140 491 T CB -0.245 68.543 68.868 -0.134 0.000 0.870 491 T HN 0.351 nan 8.240 nan 0.000 0.445 492 L N 0.172 121.202 121.223 -0.323 0.000 2.599 492 L HA 0.113 4.456 4.340 0.005 0.000 0.230 492 L C 2.210 178.688 176.870 -0.654 0.000 1.141 492 L CA 0.300 54.790 54.840 -0.583 0.000 0.877 492 L CB -0.404 41.150 42.059 -0.843 0.000 1.009 492 L HN 0.306 nan 8.230 nan 0.000 0.447 493 H N 1.420 120.224 119.070 -0.443 0.000 2.267 493 H HA -0.133 4.426 4.556 0.005 0.000 0.297 493 H C -0.577 174.757 175.328 0.010 0.000 1.080 493 H CA 2.292 58.212 56.048 -0.212 0.000 1.278 493 H CB -0.837 28.770 29.762 -0.259 0.000 1.365 493 H HN 0.060 nan 8.280 nan 0.000 0.489 494 P HA -0.183 nan 4.420 nan 0.000 0.215 494 P C 1.440 178.719 177.300 -0.035 0.000 1.157 494 P CA 1.473 64.577 63.100 0.007 0.000 0.874 494 P CB -0.355 31.360 31.700 0.026 0.000 0.790 495 F N -0.761 119.065 119.950 -0.207 0.000 2.202 495 F HA -0.192 4.330 4.527 -0.008 0.000 0.301 495 F C 1.769 177.465 175.800 -0.172 0.000 1.082 495 F CA 1.420 59.291 58.000 -0.214 0.000 1.313 495 F CB -0.549 38.271 39.000 -0.301 0.000 1.024 495 F HN -0.236 nan 8.300 nan 0.000 0.495 496 F N -0.674 119.160 119.950 -0.194 0.000 2.456 496 F HA -0.043 4.489 4.527 0.008 0.000 0.298 496 F C 2.057 177.466 175.800 -0.650 0.000 1.104 496 F CA 0.934 58.680 58.000 -0.424 0.000 1.435 496 F CB -0.801 37.899 39.000 -0.501 0.000 1.078 496 F HN 0.143 nan 8.300 nan 0.000 0.546 497 H N -0.382 118.621 119.070 -0.112 0.000 2.528 497 H HA 0.186 4.742 4.556 0.001 0.000 0.282 497 H C 1.138 176.389 175.328 -0.128 0.000 1.097 497 H CA -0.202 55.765 56.048 -0.134 0.000 1.121 497 H CB 0.155 29.799 29.762 -0.197 0.000 1.590 497 H HN 0.184 nan 8.280 nan 0.000 0.553 498 R N 0.000 120.426 120.500 -0.123 0.000 2.786 498 R HA 0.000 4.343 4.340 0.005 0.000 0.208 498 R CA 0.000 56.018 56.100 -0.137 0.000 0.921 498 R CB 0.000 30.154 30.300 -0.244 0.000 0.687 498 R HN 0.000 nan 8.270 nan 0.000 0.535