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 2w76_1_B DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVXXXXXX XXXXXXXXXX XXQLGTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF 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 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.027 176.000 0.045 0.000 1.003 44 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 44 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 45 E N 0.917 121.143 120.200 0.044 0.000 2.414 45 E HA 0.205 4.555 4.350 0.001 0.000 0.263 45 E C -0.860 175.754 176.600 0.022 0.000 1.000 45 E CA 0.203 56.638 56.400 0.059 0.000 0.914 45 E CB 0.851 30.584 29.700 0.054 0.000 0.948 45 E HN 0.140 nan 8.360 nan 0.000 0.444 46 V N 2.694 122.620 119.914 0.020 0.000 2.715 46 V HA 0.127 4.248 4.120 0.001 0.000 0.310 46 V C -0.068 175.868 176.094 -0.262 0.000 1.054 46 V CA -0.849 61.346 62.300 -0.175 0.000 0.928 46 V CB 1.977 33.592 31.823 -0.346 0.000 1.007 46 V HN 0.593 nan 8.190 nan 0.000 0.437 47 E N 2.227 122.228 120.200 -0.332 0.000 2.223 47 E HA 0.446 4.797 4.350 0.001 0.000 0.282 47 E C -1.496 174.836 176.600 -0.446 0.000 1.046 47 E CA 0.264 56.518 56.400 -0.243 0.000 0.857 47 E CB 0.390 29.998 29.700 -0.153 0.000 1.055 47 E HN 0.358 nan 8.360 nan 0.000 0.409 48 F N 2.331 122.273 119.950 -0.014 0.000 2.546 48 F HA 0.369 4.896 4.527 0.000 0.000 0.320 48 F C -0.033 175.771 175.800 0.007 0.000 1.076 48 F CA -0.824 57.167 58.000 -0.014 0.000 0.928 48 F CB 1.932 40.936 39.000 0.006 0.000 1.189 48 F HN 0.290 nan 8.300 nan 0.000 0.465 49 D N 3.442 123.989 120.400 0.244 0.000 2.586 49 D HA 0.314 4.955 4.640 0.001 0.000 0.254 49 D C -1.188 175.195 176.300 0.139 0.000 1.248 49 D CA 0.107 54.196 54.000 0.147 0.000 0.843 49 D CB 0.307 41.156 40.800 0.081 0.000 1.332 49 D HN 0.413 nan 8.370 nan 0.000 0.523 50 I N 3.105 123.760 120.570 0.142 0.000 2.502 50 I HA 0.298 4.469 4.170 0.001 0.000 0.276 50 I C -2.300 173.857 176.117 0.067 0.000 1.057 50 I CA -1.908 59.459 61.300 0.110 0.000 1.163 50 I CB 1.652 39.739 38.000 0.145 0.000 1.288 50 I HN -0.079 nan 8.210 nan 0.000 0.479 51 P HA 0.171 nan 4.420 nan 0.000 0.272 51 P C -2.461 174.853 177.300 0.022 0.000 1.223 51 P CA -1.330 61.790 63.100 0.034 0.000 0.784 51 P CB -0.217 31.501 31.700 0.029 0.000 0.923 52 P HA -0.067 nan 4.420 nan 0.000 0.256 52 P C -0.396 176.905 177.300 0.001 0.000 1.173 52 P CA 0.968 64.069 63.100 0.002 0.000 0.768 52 P CB -0.180 31.521 31.700 0.001 0.000 0.758 53 Q N 2.335 122.131 119.800 -0.006 0.000 2.814 53 Q HA 0.703 5.044 4.340 0.001 0.000 0.322 53 Q C -1.203 174.784 176.000 -0.022 0.000 0.861 53 Q CA -1.392 54.407 55.803 -0.008 0.000 0.773 53 Q CB 0.840 29.578 28.738 0.001 0.000 1.423 53 Q HN 0.219 nan 8.270 nan 0.000 0.495 54 A N 1.181 123.987 122.820 -0.023 0.000 2.548 54 A HA 0.116 4.437 4.320 0.001 0.000 0.247 54 A C 0.879 178.423 177.584 -0.067 0.000 1.067 54 A CA -0.308 51.706 52.037 -0.039 0.000 0.757 54 A CB -0.089 18.893 19.000 -0.031 0.000 0.996 54 A HN 0.700 nan 8.150 nan 0.000 0.504 55 L N 4.242 125.410 121.223 -0.091 0.000 2.064 55 L HA -0.205 4.135 4.340 0.001 0.000 0.216 55 L C 2.370 179.110 176.870 -0.216 0.000 1.077 55 L CA 2.876 57.630 54.840 -0.144 0.000 0.766 55 L CB -1.241 40.723 42.059 -0.158 0.000 0.890 55 L HN 0.869 nan 8.230 nan 0.000 0.435 56 G N -1.572 107.099 108.800 -0.215 0.000 2.586 56 G HA2 -0.363 3.598 3.960 0.001 0.000 0.218 56 G HA3 -0.363 3.598 3.960 0.001 0.000 0.218 56 G C 1.494 176.306 174.900 -0.147 0.000 1.216 56 G CA 1.478 46.422 45.100 -0.260 0.000 0.786 56 G HN 0.570 nan 8.290 nan 0.000 0.583 57 S N 1.415 117.085 115.700 -0.051 0.000 2.414 57 S HA 0.216 4.687 4.470 0.001 0.000 0.227 57 S C 2.676 177.287 174.600 0.018 0.000 1.022 57 S CA 1.196 59.400 58.200 0.007 0.000 0.958 57 S CB -0.451 62.758 63.200 0.015 0.000 0.797 57 S HN 0.676 nan 8.310 nan 0.000 0.493 58 A N 2.770 125.584 122.820 -0.010 0.000 1.869 58 A HA -0.122 4.198 4.320 0.001 0.000 0.218 58 A C 2.212 179.829 177.584 0.055 0.000 1.203 58 A CA 1.761 53.809 52.037 0.017 0.000 0.638 58 A CB -1.151 17.831 19.000 -0.029 0.000 0.831 58 A HN 0.477 nan 8.150 nan 0.000 0.450 59 L N -1.094 120.109 121.223 -0.034 0.000 2.042 59 L HA -0.287 4.054 4.340 0.001 0.000 0.210 59 L C 2.955 179.930 176.870 0.174 0.000 1.076 59 L CA 1.868 56.710 54.840 0.003 0.000 0.749 59 L CB -0.622 41.310 42.059 -0.212 0.000 0.893 59 L HN 0.541 nan 8.230 nan 0.000 0.432 60 Q N -0.566 119.329 119.800 0.157 0.000 2.167 60 Q HA -0.252 4.089 4.340 0.001 0.000 0.202 60 Q C 2.063 178.156 176.000 0.156 0.000 0.970 60 Q CA 1.518 57.428 55.803 0.179 0.000 0.855 60 Q CB 0.019 28.844 28.738 0.145 0.000 0.911 60 Q HN 0.460 nan 8.270 nan 0.000 0.438 61 E N 0.409 120.698 120.200 0.148 0.000 2.072 61 E HA -0.181 4.170 4.350 0.001 0.000 0.190 61 E C 1.542 178.261 176.600 0.198 0.000 0.982 61 E CA 0.660 57.145 56.400 0.141 0.000 0.803 61 E CB -0.191 29.582 29.700 0.122 0.000 0.755 61 E HN 0.276 nan 8.360 nan 0.000 0.453 62 F N 0.783 120.803 119.950 0.116 0.000 2.147 62 F HA -0.172 4.356 4.527 0.001 0.000 0.301 62 F C 1.949 177.869 175.800 0.199 0.000 1.084 62 F CA 2.074 60.178 58.000 0.174 0.000 1.268 62 F CB -0.650 38.394 39.000 0.075 0.000 1.009 62 F HN 0.159 nan 8.300 nan 0.000 0.486 63 G N -0.387 108.596 108.800 0.304 0.000 2.421 63 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 63 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 63 G C 1.832 176.789 174.900 0.095 0.000 1.171 63 G CA 0.767 45.992 45.100 0.208 0.000 0.775 63 G HN 0.297 nan 8.290 nan 0.000 0.543 64 R N -0.240 120.305 120.500 0.075 0.000 2.073 64 R HA -0.035 4.306 4.340 0.001 0.000 0.234 64 R C 2.850 179.140 176.300 -0.016 0.000 1.134 64 R CA 1.560 57.680 56.100 0.034 0.000 0.952 64 R CB -0.224 30.097 30.300 0.035 0.000 0.850 64 R HN 0.419 nan 8.270 nan 0.000 0.433 65 Q N -1.228 118.544 119.800 -0.046 0.000 2.230 65 Q HA -0.026 4.314 4.340 0.001 0.000 0.202 65 Q C 1.448 177.257 176.000 -0.317 0.000 0.963 65 Q CA 1.283 56.984 55.803 -0.170 0.000 0.866 65 Q CB 0.341 29.002 28.738 -0.128 0.000 0.931 65 Q HN 0.319 nan 8.270 nan 0.000 0.452 66 A N 0.273 122.956 122.820 -0.228 0.000 2.343 66 A HA 0.045 4.366 4.320 0.001 0.000 0.223 66 A C 0.178 177.737 177.584 -0.042 0.000 1.214 66 A CA 0.304 52.230 52.037 -0.184 0.000 0.900 66 A CB 0.395 19.304 19.000 -0.151 0.000 0.942 66 A HN 0.352 nan 8.150 nan 0.000 0.507 67 D N -1.319 119.077 120.400 -0.008 0.000 2.735 67 D HA -0.175 4.465 4.640 0.001 0.000 0.235 67 D C -0.788 175.573 176.300 0.102 0.000 1.175 67 D CA 0.697 54.733 54.000 0.059 0.000 0.683 67 D CB -1.340 39.493 40.800 0.056 0.000 1.008 67 D HN 0.234 nan 8.370 nan 0.000 0.416 68 I N 1.234 121.880 120.570 0.128 0.000 2.586 68 I HA 0.239 4.410 4.170 0.001 0.000 0.288 68 I C -0.253 175.975 176.117 0.185 0.000 1.147 68 I CA -0.654 60.745 61.300 0.166 0.000 1.047 68 I CB 1.766 39.887 38.000 0.203 0.000 1.244 68 I HN 0.154 nan 8.210 nan 0.000 0.429 69 Q N 5.049 124.949 119.800 0.167 0.000 2.337 69 Q HA 0.548 4.889 4.340 0.001 0.000 0.270 69 Q C -1.528 174.556 176.000 0.141 0.000 1.002 69 Q CA 0.085 55.981 55.803 0.155 0.000 0.888 69 Q CB 0.989 29.818 28.738 0.153 0.000 1.222 69 Q HN 0.479 nan 8.270 nan 0.000 0.400 70 V N 5.673 125.674 119.914 0.144 0.000 2.495 70 V HA 0.446 4.566 4.120 0.001 0.000 0.298 70 V C -0.417 175.737 176.094 0.101 0.000 1.031 70 V CA -0.787 61.594 62.300 0.135 0.000 0.871 70 V CB 1.436 33.380 31.823 0.201 0.000 0.988 70 V HN 0.745 nan 8.190 nan 0.000 0.432 71 L N 6.059 127.323 121.223 0.067 0.000 2.322 71 L HA 0.750 5.091 4.340 0.001 0.000 0.281 71 L C -0.889 176.036 176.870 0.092 0.000 1.014 71 L CA -0.615 54.224 54.840 -0.001 0.000 0.815 71 L CB 1.484 43.548 42.059 0.009 0.000 1.247 71 L HN 0.840 nan 8.230 nan 0.000 0.421 72 Y N 0.400 120.696 120.300 -0.007 0.000 2.624 72 Y HA 0.619 5.170 4.550 0.001 0.000 0.334 72 Y C -1.071 174.827 175.900 -0.003 0.000 1.155 72 Y CA -1.559 56.532 58.100 -0.014 0.000 1.046 72 Y CB 1.172 39.617 38.460 -0.025 0.000 1.316 72 Y HN 0.340 nan 8.280 nan 0.000 0.457 73 R N 2.689 123.305 120.500 0.193 0.000 2.254 73 R HA 0.353 4.694 4.340 0.001 0.000 0.318 73 R C -2.121 174.323 176.300 0.240 0.000 1.031 73 R CA -1.788 54.384 56.100 0.119 0.000 0.905 73 R CB 1.035 31.380 30.300 0.076 0.000 1.050 73 R HN 0.476 nan 8.270 nan 0.000 0.456 74 P HA -0.201 nan 4.420 nan 0.000 0.217 74 P C 0.819 178.200 177.300 0.136 0.000 1.151 74 P CA 0.997 64.254 63.100 0.263 0.000 0.828 74 P CB 0.208 32.008 31.700 0.166 0.000 0.788 75 E N 1.186 121.437 120.200 0.086 0.000 2.160 75 E HA -0.238 4.113 4.350 0.001 0.000 0.195 75 E C 1.484 178.109 176.600 0.041 0.000 0.991 75 E CA 1.458 57.888 56.400 0.051 0.000 0.810 75 E CB -0.984 28.738 29.700 0.036 0.000 0.742 75 E HN 0.350 nan 8.360 nan 0.000 0.466 76 E N 0.486 120.717 120.200 0.052 0.000 2.358 76 E HA -0.049 4.302 4.350 0.001 0.000 0.195 76 E C 1.769 178.373 176.600 0.006 0.000 1.010 76 E CA 0.996 57.414 56.400 0.031 0.000 0.856 76 E CB 0.432 30.155 29.700 0.038 0.000 0.795 76 E HN 0.329 nan 8.360 nan 0.000 0.504 77 V N -1.021 118.892 119.914 -0.001 0.000 3.376 77 V HA 0.206 4.327 4.120 0.001 0.000 0.313 77 V C 1.704 177.762 176.094 -0.060 0.000 1.393 77 V CA 0.017 62.276 62.300 -0.068 0.000 1.125 77 V CB 0.132 31.845 31.823 -0.184 0.000 1.037 77 V HN 0.054 nan 8.190 nan 0.000 0.440 78 R N 1.471 121.960 120.500 -0.019 0.000 2.152 78 R HA 0.003 4.343 4.340 0.001 0.000 0.232 78 R C 0.637 176.926 176.300 -0.019 0.000 1.117 78 R CA 2.256 58.349 56.100 -0.010 0.000 0.981 78 R CB -0.373 29.933 30.300 0.009 0.000 0.870 78 R HN 0.628 nan 8.270 nan 0.000 0.451 79 N N 0.128 118.814 118.700 -0.024 0.000 2.646 79 N HA 0.163 4.903 4.740 0.001 0.000 0.303 79 N C -1.676 173.817 175.510 -0.028 0.000 1.921 79 N CA -0.500 52.537 53.050 -0.022 0.000 0.872 79 N CB 0.979 39.457 38.487 -0.014 0.000 1.327 79 N HN 0.023 nan 8.380 nan 0.000 0.492 80 K N 0.720 121.096 120.400 -0.041 0.000 2.435 80 K HA 0.446 4.767 4.320 0.001 0.000 0.251 80 K C -0.731 175.840 176.600 -0.049 0.000 0.954 80 K CA -0.698 55.562 56.287 -0.045 0.000 0.820 80 K CB 2.690 35.156 32.500 -0.058 0.000 1.292 80 K HN 0.107 nan 8.250 nan 0.000 0.436 81 R N 0.959 121.434 120.500 -0.042 0.000 2.393 81 R HA 0.255 4.596 4.340 0.001 0.000 0.310 81 R C -0.137 176.136 176.300 -0.045 0.000 0.968 81 R CA -0.226 55.851 56.100 -0.038 0.000 0.867 81 R CB 1.285 31.569 30.300 -0.026 0.000 1.124 81 R HN 0.834 nan 8.270 nan 0.000 0.450 82 S N 2.590 118.262 115.700 -0.047 0.000 2.603 82 S HA 0.236 4.707 4.470 0.001 0.000 0.268 82 S C -0.175 174.406 174.600 -0.033 0.000 1.317 82 S CA -0.627 57.543 58.200 -0.049 0.000 1.012 82 S CB 1.163 64.334 63.200 -0.048 0.000 0.926 82 S HN 0.652 nan 8.310 nan 0.000 0.539 83 S N 1.290 116.969 115.700 -0.034 0.000 2.654 83 S HA 0.729 5.199 4.470 0.001 0.000 0.283 83 S C 0.160 174.753 174.600 -0.012 0.000 1.180 83 S CA -0.689 57.499 58.200 -0.021 0.000 1.021 83 S CB 0.977 64.164 63.200 -0.021 0.000 1.018 83 S HN 1.243 nan 8.310 nan 0.000 0.532 84 A N 1.537 124.357 122.820 -0.000 0.000 2.520 84 A HA 0.487 4.808 4.320 0.001 0.000 0.245 84 A C 0.165 177.758 177.584 0.015 0.000 1.072 84 A CA -0.452 51.593 52.037 0.013 0.000 0.761 84 A CB -0.904 18.106 19.000 0.017 0.000 1.004 84 A HN 0.912 nan 8.150 nan 0.000 0.499 85 I N -0.405 120.183 120.570 0.030 0.000 2.498 85 I HA 0.906 5.077 4.170 0.001 0.000 0.290 85 I C -0.598 175.570 176.117 0.086 0.000 1.032 85 I CA -1.018 60.303 61.300 0.035 0.000 1.073 85 I CB 2.221 40.208 38.000 -0.021 0.000 1.251 85 I HN 0.444 nan 8.210 nan 0.000 0.426 86 K N 3.698 124.153 120.400 0.093 0.000 2.546 86 K HA 0.861 5.181 4.320 0.001 0.000 0.264 86 K C -0.400 176.267 176.600 0.112 0.000 0.937 86 K CA 0.392 56.745 56.287 0.109 0.000 0.833 86 K CB 2.117 34.660 32.500 0.072 0.000 1.378 86 K HN 1.377 nan 8.250 nan 0.000 0.432 87 G N 2.084 110.954 108.800 0.116 0.000 2.549 87 G HA2 -0.096 3.864 3.960 0.001 0.000 0.404 87 G HA3 -0.096 3.864 3.960 0.001 0.000 0.404 87 G C -1.523 173.453 174.900 0.127 0.000 1.292 87 G CA -0.402 44.756 45.100 0.096 0.000 0.935 87 G HN 0.652 nan 8.290 nan 0.000 0.512 88 K N 0.443 120.899 120.400 0.095 0.000 2.267 88 K HA 0.638 4.959 4.320 0.001 0.000 0.282 88 K C -0.061 176.620 176.600 0.135 0.000 1.078 88 K CA -0.530 55.813 56.287 0.094 0.000 0.903 88 K CB -0.160 32.367 32.500 0.045 0.000 1.111 88 K HN 0.530 nan 8.250 nan 0.000 0.475 89 L N 2.163 123.525 121.223 0.233 0.000 2.350 89 L HA 0.421 4.762 4.340 0.001 0.000 0.260 89 L C -0.042 176.985 176.870 0.261 0.000 1.015 89 L CA -1.327 53.647 54.840 0.224 0.000 0.821 89 L CB 1.765 43.950 42.059 0.209 0.000 1.370 89 L HN 0.500 nan 8.230 nan 0.000 0.416 90 E N 2.080 122.389 120.200 0.182 0.000 2.417 90 E HA 0.042 4.393 4.350 0.001 0.000 0.261 90 E C -1.666 175.092 176.600 0.264 0.000 1.000 90 E CA -1.346 55.163 56.400 0.181 0.000 0.919 90 E CB 1.030 30.794 29.700 0.105 0.000 0.955 90 E HN 0.299 nan 8.360 nan 0.000 0.455 91 P HA -0.316 nan 4.420 nan 0.000 0.219 91 P C 1.097 178.667 177.300 0.449 0.000 1.159 91 P CA 1.877 65.250 63.100 0.455 0.000 0.944 91 P CB -0.057 31.880 31.700 0.395 0.000 0.792 92 N N 0.135 119.029 118.700 0.323 0.000 2.094 92 N HA -0.235 4.506 4.740 0.001 0.000 0.191 92 N C 1.872 177.481 175.510 0.165 0.000 1.023 92 N CA 1.932 55.136 53.050 0.258 0.000 0.857 92 N CB -1.424 36.951 38.487 -0.186 0.000 1.013 92 N HN 0.311 nan 8.380 nan 0.000 0.426 93 Q N 0.206 120.069 119.800 0.105 0.000 2.020 93 Q HA -0.051 4.289 4.340 0.001 0.000 0.202 93 Q C 2.097 178.121 176.000 0.040 0.000 0.982 93 Q CA 1.900 57.739 55.803 0.061 0.000 0.838 93 Q CB -0.269 28.503 28.738 0.058 0.000 0.899 93 Q HN 0.523 nan 8.270 nan 0.000 0.423 94 A N 1.099 123.943 122.820 0.041 0.000 1.859 94 A HA -0.268 4.053 4.320 0.001 0.000 0.218 94 A C 1.988 179.523 177.584 -0.081 0.000 1.209 94 A CA 1.850 53.839 52.037 -0.080 0.000 0.639 94 A CB -1.099 17.647 19.000 -0.423 0.000 0.835 94 A HN 0.536 nan 8.150 nan 0.000 0.450 95 I N -0.613 119.881 120.570 -0.128 0.000 2.315 95 I HA -0.176 3.995 4.170 0.001 0.000 0.251 95 I C 2.350 178.310 176.117 -0.261 0.000 1.125 95 I CA 2.409 63.361 61.300 -0.581 0.000 1.392 95 I CB -0.736 36.816 38.000 -0.747 0.000 1.065 95 I HN 0.332 nan 8.210 nan 0.000 0.424 96 T N -0.187 114.312 114.554 -0.091 0.000 2.904 96 T HA -0.076 4.275 4.350 0.001 0.000 0.267 96 T C 1.797 176.462 174.700 -0.058 0.000 1.059 96 T CA 1.017 63.090 62.100 -0.044 0.000 1.137 96 T CB -0.059 68.820 68.868 0.019 0.000 0.879 96 T HN 0.306 nan 8.240 nan 0.000 0.467 97 E N 0.820 120.982 120.200 -0.062 0.000 2.170 97 E HA 0.103 4.454 4.350 0.001 0.000 0.191 97 E C 2.097 178.658 176.600 -0.064 0.000 0.981 97 E CA 0.264 56.635 56.400 -0.050 0.000 0.830 97 E CB -0.273 29.408 29.700 -0.032 0.000 0.775 97 E HN 0.441 nan 8.360 nan 0.000 0.470 98 L N 0.371 121.535 121.223 -0.099 0.000 2.191 98 L HA -0.073 4.268 4.340 0.001 0.000 0.212 98 L C 1.888 178.695 176.870 -0.105 0.000 1.103 98 L CA 0.849 55.630 54.840 -0.099 0.000 0.769 98 L CB -0.009 41.969 42.059 -0.135 0.000 0.908 98 L HN 0.075 nan 8.230 nan 0.000 0.438 99 L N -0.486 120.664 121.223 -0.121 0.000 2.558 99 L HA 0.070 4.410 4.340 0.001 0.000 0.225 99 L C 1.085 177.914 176.870 -0.069 0.000 1.128 99 L CA -0.285 54.492 54.840 -0.106 0.000 0.868 99 L CB -0.391 41.597 42.059 -0.119 0.000 1.006 99 L HN 0.101 nan 8.230 nan 0.000 0.454 100 R N 0.859 121.326 120.500 -0.055 0.000 2.538 100 R HA 0.082 4.423 4.340 0.001 0.000 0.282 100 R C 1.146 177.426 176.300 -0.034 0.000 1.009 100 R CA 1.111 57.188 56.100 -0.037 0.000 1.063 100 R CB 0.325 30.608 30.300 -0.028 0.000 0.945 100 R HN 0.369 nan 8.270 nan 0.000 0.414 101 G N 1.675 110.458 108.800 -0.028 0.000 2.205 101 G HA2 -0.378 3.582 3.960 0.001 0.000 0.261 101 G HA3 -0.378 3.582 3.960 0.001 0.000 0.261 101 G C 0.889 175.771 174.900 -0.030 0.000 0.980 101 G CA 0.939 46.024 45.100 -0.025 0.000 0.632 101 G HN 0.682 nan 8.290 nan 0.000 0.533 102 T N -2.061 112.470 114.554 -0.039 0.000 3.014 102 T HA 0.394 4.744 4.350 0.001 0.000 0.263 102 T C 2.487 177.166 174.700 -0.036 0.000 1.078 102 T CA 1.805 63.879 62.100 -0.044 0.000 1.135 102 T CB -0.048 68.783 68.868 -0.062 0.000 0.895 102 T HN 2.273 nan 8.240 nan 0.000 0.480 103 G N 1.133 109.915 108.800 -0.031 0.000 2.137 103 G HA2 0.063 4.024 3.960 0.001 0.000 0.237 103 G HA3 0.063 4.024 3.960 0.001 0.000 0.237 103 G C 0.129 175.013 174.900 -0.026 0.000 1.002 103 G CA -0.018 45.068 45.100 -0.024 0.000 0.702 103 G HN 1.227 nan 8.290 nan 0.000 0.515 104 A N -0.416 122.382 122.820 -0.037 0.000 2.325 104 A HA 0.967 5.288 4.320 0.001 0.000 0.333 104 A C 0.399 177.958 177.584 -0.041 0.000 1.155 104 A CA 0.574 52.586 52.037 -0.041 0.000 0.814 104 A CB 1.475 20.439 19.000 -0.060 0.000 1.206 104 A HN 1.774 nan 8.150 nan 0.000 0.482 105 S N -0.402 115.278 115.700 -0.033 0.000 2.677 105 S HA 0.808 5.278 4.470 0.001 0.000 0.304 105 S C -0.846 173.732 174.600 -0.037 0.000 1.108 105 S CA -0.681 57.505 58.200 -0.022 0.000 0.944 105 S CB 1.485 64.683 63.200 -0.002 0.000 1.127 105 S HN 1.182 nan 8.310 nan 0.000 0.511 106 V N 0.791 120.694 119.914 -0.019 0.000 2.447 106 V HA 0.447 4.568 4.120 0.001 0.000 0.292 106 V C -1.395 174.697 176.094 -0.003 0.000 1.021 106 V CA -0.795 61.459 62.300 -0.076 0.000 0.850 106 V CB 0.967 32.716 31.823 -0.124 0.000 1.005 106 V HN 0.863 nan 8.190 nan 0.000 0.426 107 D N 3.452 123.827 120.400 -0.042 0.000 2.308 107 D HA 0.457 5.098 4.640 0.001 0.000 0.251 107 D C -0.168 176.096 176.300 -0.060 0.000 1.127 107 D CA 0.033 54.048 54.000 0.025 0.000 0.876 107 D CB 1.099 41.903 40.800 0.006 0.000 1.176 107 D HN 0.484 nan 8.370 nan 0.000 0.446 108 F N 1.625 121.580 119.950 0.008 0.000 2.974 108 F HA 0.156 4.683 4.527 0.001 0.000 0.292 108 F C 0.948 176.756 175.800 0.013 0.000 1.209 108 F CA -0.252 57.760 58.000 0.021 0.000 1.366 108 F CB -0.055 38.963 39.000 0.029 0.000 1.033 108 F HN 0.206 nan 8.300 nan 0.000 0.516 109 Q N 0.018 119.867 119.800 0.080 0.000 2.222 109 Q HA 0.540 4.881 4.340 0.001 0.000 0.252 109 Q C 0.789 176.782 176.000 -0.012 0.000 0.926 109 Q CA 0.302 56.127 55.803 0.037 0.000 0.899 109 Q CB 1.585 30.325 28.738 0.003 0.000 1.250 109 Q HN 0.573 nan 8.270 nan 0.000 0.441 110 G N 2.475 111.269 108.800 -0.009 0.000 2.553 110 G HA2 -0.286 3.674 3.960 0.001 0.000 0.242 110 G HA3 -0.286 3.674 3.960 0.001 0.000 0.242 110 G C -0.065 174.868 174.900 0.054 0.000 1.277 110 G CA 0.038 45.134 45.100 -0.007 0.000 0.910 110 G HN 0.811 nan 8.290 nan 0.000 0.576 111 N N 1.632 120.375 118.700 0.071 0.000 2.238 111 N HA 0.459 5.199 4.740 0.001 0.000 0.222 111 N C 0.363 175.935 175.510 0.102 0.000 1.133 111 N CA 0.697 53.806 53.050 0.098 0.000 0.854 111 N CB 1.239 39.784 38.487 0.097 0.000 1.041 111 N HN 1.015 nan 8.380 nan 0.000 0.510 112 A N 1.122 123.986 122.820 0.073 0.000 2.401 112 A HA 0.686 5.007 4.320 0.001 0.000 0.310 112 A C -0.241 177.329 177.584 -0.025 0.000 1.075 112 A CA -0.791 51.281 52.037 0.058 0.000 0.746 112 A CB 1.053 20.105 19.000 0.086 0.000 1.277 112 A HN 0.261 nan 8.150 nan 0.000 0.425 113 I N 0.194 120.718 120.570 -0.077 0.000 2.315 113 I HA 0.608 4.779 4.170 0.001 0.000 0.291 113 I C 0.343 176.369 176.117 -0.151 0.000 1.006 113 I CA -0.234 60.914 61.300 -0.254 0.000 1.265 113 I CB 1.405 39.111 38.000 -0.490 0.000 1.387 113 I HN 0.534 nan 8.210 nan 0.000 0.475 114 T N 5.485 119.952 114.554 -0.145 0.000 2.806 114 T HA 0.586 4.936 4.350 0.001 0.000 0.290 114 T C -0.101 174.552 174.700 -0.078 0.000 0.966 114 T CA -0.687 61.372 62.100 -0.068 0.000 1.060 114 T CB 1.095 69.941 68.868 -0.037 0.000 0.927 114 T HN 0.499 nan 8.240 nan 0.000 0.485 115 I N 4.070 124.628 120.570 -0.020 0.000 2.354 115 I HA 0.455 4.626 4.170 0.001 0.000 0.292 115 I C 0.606 176.730 176.117 0.012 0.000 0.989 115 I CA -0.514 60.771 61.300 -0.024 0.000 1.188 115 I CB 1.345 39.336 38.000 -0.015 0.000 1.342 115 I HN 1.005 nan 8.210 nan 0.000 0.457 116 S N 5.631 121.327 115.700 -0.006 0.000 2.732 116 S HA 0.832 5.303 4.470 0.001 0.000 0.293 116 S C -0.734 173.863 174.600 -0.004 0.000 1.159 116 S CA -0.645 57.558 58.200 0.006 0.000 0.847 116 S CB 2.436 65.640 63.200 0.007 0.000 1.169 116 S HN 0.263 nan 8.310 nan 0.000 0.501 137 L N 0.794 122.063 121.223 0.078 0.000 2.592 137 L HA 0.387 4.727 4.340 0.001 0.000 0.227 137 L C 1.079 177.967 176.870 0.030 0.000 1.127 137 L CA 0.756 55.624 54.840 0.048 0.000 0.884 137 L CB 0.274 42.366 42.059 0.054 0.000 1.065 137 L HN 0.334 nan 8.230 nan 0.000 0.457 138 G N 0.029 108.854 108.800 0.040 0.000 2.396 138 G HA2 -0.177 3.784 3.960 0.001 0.000 0.254 138 G HA3 -0.177 3.784 3.960 0.001 0.000 0.254 138 G C -0.265 174.659 174.900 0.040 0.000 1.248 138 G CA -0.450 44.669 45.100 0.031 0.000 1.033 138 G HN 0.057 nan 8.290 nan 0.000 0.502 139 T N -0.281 114.294 114.554 0.035 0.000 2.814 139 T HA 0.579 4.930 4.350 0.001 0.000 0.297 139 T C 0.920 175.647 174.700 0.045 0.000 0.956 139 T CA -0.213 61.912 62.100 0.041 0.000 1.123 139 T CB 1.055 69.945 68.868 0.037 0.000 0.902 139 T HN 0.708 nan 8.240 nan 0.000 0.528 140 I N 3.669 124.272 120.570 0.055 0.000 2.815 140 I HA 0.009 4.180 4.170 0.001 0.000 0.291 140 I C 1.958 178.109 176.117 0.055 0.000 1.209 140 I CA 0.491 61.826 61.300 0.060 0.000 1.431 140 I CB 0.831 38.873 38.000 0.069 0.000 1.351 140 I HN 0.979 nan 8.210 nan 0.000 0.585 141 T N 0.638 115.225 114.554 0.055 0.000 3.023 141 T HA 0.083 4.433 4.350 0.001 0.000 0.249 141 T C 0.726 175.463 174.700 0.060 0.000 1.050 141 T CA -0.347 61.787 62.100 0.056 0.000 1.088 141 T CB -0.167 68.731 68.868 0.050 0.000 0.946 141 T HN 0.607 nan 8.240 nan 0.000 0.480 142 E N 1.573 121.808 120.200 0.058 0.000 2.568 142 E HA -0.060 4.290 4.350 0.001 0.000 0.262 142 E C -0.011 176.619 176.600 0.050 0.000 0.961 142 E CA 0.516 56.947 56.400 0.053 0.000 0.945 142 E CB 0.101 29.835 29.700 0.057 0.000 0.924 142 E HN 0.219 nan 8.360 nan 0.000 0.467 143 D N 1.078 121.503 120.400 0.042 0.000 2.332 143 D HA -0.279 4.362 4.640 0.001 0.000 0.166 143 D C 1.202 177.530 176.300 0.048 0.000 1.574 143 D CA 1.776 55.800 54.000 0.040 0.000 1.598 143 D CB -1.597 39.228 40.800 0.042 0.000 1.354 143 D HN 0.518 nan 8.370 nan 0.000 0.481 144 S N 0.272 116.006 115.700 0.056 0.000 2.440 144 S HA 0.052 4.523 4.470 0.001 0.000 0.238 144 S C 1.952 176.590 174.600 0.064 0.000 1.010 144 S CA 2.493 60.728 58.200 0.059 0.000 0.972 144 S CB -0.233 63.006 63.200 0.064 0.000 0.774 144 S HN 1.317 nan 8.310 nan 0.000 0.501 145 G N 0.276 109.120 108.800 0.074 0.000 2.175 145 G HA2 -0.298 3.663 3.960 0.001 0.000 0.265 145 G HA3 -0.298 3.663 3.960 0.001 0.000 0.265 145 G C 0.166 175.141 174.900 0.126 0.000 0.979 145 G CA 0.680 45.832 45.100 0.087 0.000 0.663 145 G HN 1.043 nan 8.290 nan 0.000 0.533 146 S N -1.618 114.170 115.700 0.147 0.000 2.651 146 S HA 0.694 5.165 4.470 0.001 0.000 0.291 146 S C 0.685 175.506 174.600 0.369 0.000 1.141 146 S CA -0.608 57.702 58.200 0.184 0.000 1.027 146 S CB 0.812 64.081 63.200 0.115 0.000 1.043 146 S HN 0.253 nan 8.310 nan 0.000 0.530 147 Y N 1.326 121.662 120.300 0.061 0.000 2.485 147 Y HA 0.344 4.895 4.550 0.001 0.000 0.260 147 Y C 1.208 177.132 175.900 0.039 0.000 1.173 147 Y CA -0.247 57.890 58.100 0.062 0.000 1.252 147 Y CB -0.099 38.410 38.460 0.082 0.000 1.123 147 Y HN 0.478 nan 8.280 nan 0.000 0.524 148 T N 2.003 116.663 114.554 0.178 0.000 2.887 148 T HA 0.495 4.845 4.350 0.001 0.000 0.288 148 T C -2.538 172.204 174.700 0.069 0.000 1.021 148 T CA -2.022 60.139 62.100 0.101 0.000 1.000 148 T CB 1.763 70.679 68.868 0.081 0.000 1.034 148 T HN -0.153 nan 8.240 nan 0.000 0.467 149 P HA 0.494 nan 4.420 nan 0.000 0.297 149 P C 0.311 177.627 177.300 0.026 0.000 1.307 149 P CA -0.316 62.801 63.100 0.028 0.000 0.773 149 P CB 0.845 32.549 31.700 0.006 0.000 1.265 150 G N -0.864 107.949 108.800 0.021 0.000 2.495 150 G HA2 0.340 4.301 3.960 0.001 0.000 0.219 150 G HA3 0.340 4.301 3.960 0.001 0.000 0.219 150 G C -0.031 174.875 174.900 0.011 0.000 1.875 150 G CA 0.428 45.541 45.100 0.021 0.000 0.757 150 G HN 0.730 nan 8.290 nan 0.000 0.682 151 T N -1.053 113.508 114.554 0.011 0.000 2.938 151 T HA 0.726 5.077 4.350 0.001 0.000 0.285 151 T C -0.369 174.329 174.700 -0.004 0.000 1.028 151 T CA -0.658 61.445 62.100 0.004 0.000 1.005 151 T CB 1.829 70.703 68.868 0.011 0.000 1.157 151 T HN 0.861 nan 8.240 nan 0.000 0.550 152 I N -2.700 117.861 120.570 -0.015 0.000 2.841 152 I HA 0.714 4.884 4.170 0.001 0.000 0.298 152 I C -0.070 176.024 176.117 -0.038 0.000 1.304 152 I CA -1.668 59.614 61.300 -0.030 0.000 1.019 152 I CB 1.879 39.849 38.000 -0.050 0.000 1.282 152 I HN 0.782 nan 8.210 nan 0.000 0.432 153 A N 2.436 125.228 122.820 -0.047 0.000 2.538 153 A HA 0.259 4.579 4.320 0.001 0.000 0.269 153 A C 1.441 178.955 177.584 -0.117 0.000 1.231 153 A CA 0.310 52.306 52.037 -0.068 0.000 0.948 153 A CB -0.416 18.556 19.000 -0.046 0.000 1.110 153 A HN 0.861 nan 8.150 nan 0.000 0.529 154 T N 0.870 115.354 114.554 -0.117 0.000 2.620 154 T HA -0.268 4.083 4.350 0.001 0.000 0.267 154 T C 2.228 176.816 174.700 -0.187 0.000 1.044 154 T CA 2.162 64.174 62.100 -0.148 0.000 1.161 154 T CB -0.447 68.338 68.868 -0.139 0.000 0.862 154 T HN 0.639 nan 8.240 nan 0.000 0.438 155 A N 1.565 124.275 122.820 -0.184 0.000 1.835 155 A HA -0.099 4.222 4.320 0.001 0.000 0.215 155 A C 2.489 179.878 177.584 -0.325 0.000 1.199 155 A CA 2.452 54.355 52.037 -0.224 0.000 0.615 155 A CB -0.924 17.959 19.000 -0.194 0.000 0.838 155 A HN 0.644 nan 8.150 nan 0.000 0.444 156 T N -6.876 107.508 114.554 -0.283 0.000 3.043 156 T HA 0.437 4.787 4.350 0.001 0.000 0.272 156 T C 0.766 175.331 174.700 -0.225 0.000 0.990 156 T CA 0.561 62.475 62.100 -0.310 0.000 0.897 156 T CB 0.686 69.431 68.868 -0.205 0.000 1.111 156 T HN 0.378 nan 8.240 nan 0.000 0.529 157 R N -0.500 119.868 120.500 -0.220 0.000 3.749 157 R HA -0.094 4.247 4.340 0.001 0.000 0.476 157 R C -0.332 175.907 176.300 -0.102 0.000 0.814 157 R CA 0.782 56.749 56.100 -0.220 0.000 1.494 157 R CB -2.326 27.762 30.300 -0.355 0.000 2.164 157 R HN 0.555 nan 8.270 nan 0.000 0.473 158 L N 1.397 122.588 121.223 -0.053 0.000 2.360 158 L HA 0.215 4.556 4.340 0.001 0.000 0.276 158 L C 0.364 177.238 176.870 0.007 0.000 1.121 158 L CA -0.482 54.360 54.840 0.003 0.000 0.845 158 L CB 1.074 43.171 42.059 0.062 0.000 1.143 158 L HN -0.157 nan 8.230 nan 0.000 0.452 159 V N 6.499 126.423 119.914 0.015 0.000 2.409 159 V HA 0.112 4.233 4.120 0.001 0.000 0.270 159 V C 0.412 176.520 176.094 0.023 0.000 1.019 159 V CA 0.439 62.749 62.300 0.017 0.000 1.066 159 V CB -0.112 31.726 31.823 0.026 0.000 1.021 159 V HN 0.477 nan 8.190 nan 0.000 0.476 160 L N 4.070 125.304 121.223 0.019 0.000 2.376 160 L HA 0.609 4.949 4.340 0.001 0.000 0.258 160 L C 0.403 177.277 176.870 0.007 0.000 1.013 160 L CA -0.821 54.037 54.840 0.030 0.000 0.822 160 L CB 2.667 44.763 42.059 0.063 0.000 1.388 160 L HN 0.581 nan 8.230 nan 0.000 0.413 161 T N -2.742 111.817 114.554 0.007 0.000 2.828 161 T HA 0.253 4.603 4.350 0.001 0.000 0.290 161 T C -2.082 172.601 174.700 -0.029 0.000 1.019 161 T CA -1.404 60.690 62.100 -0.009 0.000 1.031 161 T CB 1.277 70.140 68.868 -0.009 0.000 1.001 161 T HN 0.326 nan 8.240 nan 0.000 0.531 162 P HA -0.112 nan 4.420 nan 0.000 0.214 162 P C 1.778 179.020 177.300 -0.098 0.000 1.163 162 P CA 0.855 63.911 63.100 -0.073 0.000 0.883 162 P CB -0.058 31.609 31.700 -0.054 0.000 0.788 163 R N 0.889 121.346 120.500 -0.070 0.000 2.133 163 R HA -0.209 4.131 4.340 0.001 0.000 0.247 163 R C 1.624 177.897 176.300 -0.045 0.000 1.151 163 R CA 1.867 57.927 56.100 -0.066 0.000 0.971 163 R CB -0.611 29.652 30.300 -0.061 0.000 0.866 163 R HN 0.244 nan 8.270 nan 0.000 0.447 164 E N -0.277 119.914 120.200 -0.015 0.000 2.482 164 E HA -0.000 4.351 4.350 0.001 0.000 0.196 164 E C -0.278 176.357 176.600 0.059 0.000 1.047 164 E CA 0.439 56.873 56.400 0.057 0.000 0.869 164 E CB 0.399 30.146 29.700 0.079 0.000 0.836 164 E HN 0.194 nan 8.360 nan 0.000 0.520 165 T N 2.833 117.337 114.554 -0.084 0.000 2.733 165 T HA 0.146 4.496 4.350 0.001 0.000 0.294 165 T C -2.173 172.314 174.700 -0.354 0.000 0.956 165 T CA -1.475 60.507 62.100 -0.198 0.000 0.987 165 T CB 1.472 70.237 68.868 -0.173 0.000 0.920 165 T HN -0.015 nan 8.240 nan 0.000 0.470 166 P HA 0.181 nan 4.420 nan 0.000 0.244 166 P C -0.293 176.894 177.300 -0.189 0.000 1.632 166 P CA -0.080 62.840 63.100 -0.301 0.000 0.944 166 P CB 0.322 31.970 31.700 -0.087 0.000 1.569 167 Q N -0.738 118.880 119.800 -0.302 0.000 2.423 167 Q HA 0.389 4.730 4.340 0.001 0.000 0.278 167 Q C -0.431 175.478 176.000 -0.151 0.000 1.097 167 Q CA -0.794 54.937 55.803 -0.120 0.000 0.809 167 Q CB 2.147 30.829 28.738 -0.093 0.000 1.391 167 Q HN -0.141 nan 8.270 nan 0.000 0.428 168 S N 1.561 117.239 115.700 -0.036 0.000 2.509 168 S HA 0.187 4.657 4.470 0.001 0.000 0.287 168 S C -0.631 173.909 174.600 -0.100 0.000 1.248 168 S CA 0.181 58.352 58.200 -0.048 0.000 1.089 168 S CB -0.236 62.928 63.200 -0.060 0.000 0.900 168 S HN 0.354 nan 8.310 nan 0.000 0.496 169 I N 4.540 125.053 120.570 -0.096 0.000 2.512 169 I HA 0.418 4.588 4.170 0.001 0.000 0.287 169 I C -0.709 175.360 176.117 -0.080 0.000 1.069 169 I CA 0.188 61.426 61.300 -0.103 0.000 1.056 169 I CB 2.092 40.024 38.000 -0.114 0.000 1.229 169 I HN 0.454 nan 8.210 nan 0.000 0.429 170 T N 6.220 120.720 114.554 -0.089 0.000 2.841 170 T HA 0.762 5.113 4.350 0.001 0.000 0.283 170 T C -0.930 173.721 174.700 -0.083 0.000 1.000 170 T CA -0.484 61.572 62.100 -0.072 0.000 0.977 170 T CB 1.727 70.551 68.868 -0.072 0.000 0.979 170 T HN 0.324 nan 8.240 nan 0.000 0.446 171 V N 2.593 122.469 119.914 -0.063 0.000 2.914 171 V HA 0.653 4.774 4.120 0.001 0.000 0.314 171 V C -0.702 175.350 176.094 -0.069 0.000 1.084 171 V CA -0.814 61.444 62.300 -0.069 0.000 0.963 171 V CB 2.435 34.229 31.823 -0.049 0.000 1.025 171 V HN 0.679 nan 8.190 nan 0.000 0.432 172 V N 2.314 122.176 119.914 -0.086 0.000 2.376 172 V HA 0.429 4.550 4.120 0.001 0.000 0.287 172 V C 0.347 176.391 176.094 -0.084 0.000 1.015 172 V CA -0.427 61.811 62.300 -0.104 0.000 0.834 172 V CB 1.871 33.617 31.823 -0.127 0.000 1.001 172 V HN 1.089 nan 8.190 nan 0.000 0.428 173 T N 1.886 116.394 114.554 -0.078 0.000 2.882 173 T HA 0.323 4.674 4.350 0.001 0.000 0.287 173 T C 1.166 175.847 174.700 -0.033 0.000 1.014 173 T CA -0.411 61.672 62.100 -0.029 0.000 1.049 173 T CB 1.356 70.236 68.868 0.020 0.000 1.001 173 T HN 0.440 nan 8.240 nan 0.000 0.525 174 R N 0.756 121.262 120.500 0.010 0.000 2.119 174 R HA -0.183 4.157 4.340 0.001 0.000 0.246 174 R C 2.398 178.707 176.300 0.016 0.000 1.146 174 R CA 2.239 58.352 56.100 0.021 0.000 0.962 174 R CB -1.067 29.258 30.300 0.042 0.000 0.863 174 R HN 0.825 nan 8.270 nan 0.000 0.442 175 Q N -0.294 119.534 119.800 0.046 0.000 2.083 175 Q HA -0.049 4.292 4.340 0.001 0.000 0.198 175 Q C 1.713 177.753 176.000 0.067 0.000 0.969 175 Q CA 2.113 57.981 55.803 0.107 0.000 0.838 175 Q CB -0.394 28.484 28.738 0.234 0.000 0.900 175 Q HN 0.568 nan 8.270 nan 0.000 0.436 176 N N -1.158 117.439 118.700 -0.172 0.000 2.061 176 N HA -0.204 4.537 4.740 0.001 0.000 0.193 176 N C 1.702 177.165 175.510 -0.080 0.000 1.030 176 N CA 1.909 54.699 53.050 -0.433 0.000 0.856 176 N CB -0.075 38.038 38.487 -0.624 0.000 1.023 176 N HN 0.269 nan 8.380 nan 0.000 0.424 177 M N 0.101 119.655 119.600 -0.078 0.000 2.108 177 M HA -0.170 4.311 4.480 0.001 0.000 0.261 177 M C 1.300 177.595 176.300 -0.008 0.000 1.066 177 M CA 1.451 56.722 55.300 -0.048 0.000 1.107 177 M CB -0.197 32.382 32.600 -0.035 0.000 1.356 177 M HN 0.216 nan 8.290 nan 0.000 0.406 178 D N 0.452 120.851 120.400 -0.000 0.000 2.077 178 D HA -0.151 4.490 4.640 0.001 0.000 0.196 178 D C 1.597 177.883 176.300 -0.023 0.000 0.986 178 D CA 1.307 55.300 54.000 -0.012 0.000 0.829 178 D CB -0.628 40.158 40.800 -0.023 0.000 0.983 178 D HN 0.249 nan 8.370 nan 0.000 0.453 179 D N -0.334 120.070 120.400 0.006 0.000 2.149 179 D HA -0.166 4.474 4.640 0.001 0.000 0.194 179 D C 1.481 177.575 176.300 -0.344 0.000 1.001 179 D CA 0.898 54.832 54.000 -0.110 0.000 0.849 179 D CB -0.332 40.490 40.800 0.035 0.000 0.939 179 D HN 0.280 nan 8.370 nan 0.000 0.449 180 F N -0.748 119.166 119.950 -0.061 0.000 2.664 180 F HA 0.301 4.829 4.527 0.001 0.000 0.303 180 F C 1.691 177.408 175.800 -0.139 0.000 1.092 180 F CA 0.096 58.034 58.000 -0.103 0.000 1.305 180 F CB 0.485 39.368 39.000 -0.195 0.000 1.054 180 F HN -0.033 nan 8.300 nan 0.000 0.565 181 G N 1.555 110.351 108.800 -0.007 0.000 2.283 181 G HA2 -0.324 3.637 3.960 0.001 0.000 0.280 181 G HA3 -0.324 3.637 3.960 0.001 0.000 0.280 181 G C 0.253 175.133 174.900 -0.034 0.000 1.029 181 G CA -0.177 44.912 45.100 -0.018 0.000 0.840 181 G HN 0.339 nan 8.290 nan 0.000 0.505 182 L N -0.218 120.959 121.223 -0.078 0.000 2.704 182 L HA 0.134 4.474 4.340 0.001 0.000 0.279 182 L C 1.466 178.309 176.870 -0.045 0.000 1.147 182 L CA 0.187 54.951 54.840 -0.127 0.000 0.994 182 L CB -0.261 41.668 42.059 -0.217 0.000 1.332 182 L HN 0.275 nan 8.230 nan 0.000 0.471 183 N N 1.641 120.333 118.700 -0.013 0.000 2.409 183 N HA -0.038 4.702 4.740 0.001 0.000 0.174 183 N C 0.081 175.617 175.510 0.044 0.000 1.037 183 N CA 0.181 53.246 53.050 0.025 0.000 0.898 183 N CB 0.285 38.795 38.487 0.038 0.000 1.010 183 N HN 0.677 nan 8.380 nan 0.000 0.445 184 N N -0.545 118.176 118.700 0.034 0.000 2.509 184 N HA 0.133 4.874 4.740 0.001 0.000 0.280 184 N C 0.264 175.789 175.510 0.024 0.000 1.306 184 N CA -0.733 52.348 53.050 0.051 0.000 0.782 184 N CB 0.652 39.175 38.487 0.061 0.000 1.493 184 N HN -0.229 nan 8.380 nan 0.000 0.498 185 I N 0.120 120.711 120.570 0.035 0.000 2.399 185 I HA -0.227 3.943 4.170 0.001 0.000 0.254 185 I C 0.839 176.955 176.117 -0.002 0.000 1.146 185 I CA 1.636 62.938 61.300 0.004 0.000 1.412 185 I CB -0.441 37.596 38.000 0.062 0.000 1.076 185 I HN 0.547 nan 8.210 nan 0.000 0.432 186 D N 0.378 120.830 120.400 0.088 0.000 2.097 186 D HA -0.160 4.481 4.640 0.001 0.000 0.197 186 D C 1.824 178.145 176.300 0.035 0.000 0.984 186 D CA 1.326 55.406 54.000 0.134 0.000 0.826 186 D CB -0.285 40.616 40.800 0.168 0.000 0.973 186 D HN 0.331 nan 8.370 nan 0.000 0.460 187 D N -0.224 120.185 120.400 0.016 0.000 2.126 187 D HA -0.144 4.497 4.640 0.001 0.000 0.190 187 D C 2.214 178.436 176.300 -0.129 0.000 1.001 187 D CA 0.820 54.794 54.000 -0.044 0.000 0.841 187 D CB -0.351 40.414 40.800 -0.058 0.000 0.949 187 D HN 0.019 nan 8.370 nan 0.000 0.446 188 V N 0.566 120.399 119.914 -0.136 0.000 2.287 188 V HA -0.281 3.840 4.120 0.001 0.000 0.248 188 V C 2.397 178.396 176.094 -0.160 0.000 1.053 188 V CA 1.400 63.600 62.300 -0.166 0.000 1.027 188 V CB -0.354 31.377 31.823 -0.153 0.000 0.646 188 V HN 0.273 nan 8.190 nan 0.000 0.447 189 M N -0.751 118.720 119.600 -0.215 0.000 2.132 189 M HA -0.103 4.378 4.480 0.001 0.000 0.263 189 M C 2.300 178.527 176.300 -0.123 0.000 1.065 189 M CA 1.509 56.633 55.300 -0.294 0.000 1.122 189 M CB -1.201 30.993 32.600 -0.677 0.000 1.365 189 M HN 0.243 nan 8.290 nan 0.000 0.411 190 R N -0.793 119.695 120.500 -0.020 0.000 2.276 190 R HA -0.205 4.135 4.340 0.001 0.000 0.243 190 R C 0.943 177.319 176.300 0.128 0.000 1.161 190 R CA 1.174 57.330 56.100 0.093 0.000 1.007 190 R CB -0.328 30.076 30.300 0.174 0.000 0.867 190 R HN 0.470 nan 8.270 nan 0.000 0.472 191 H N -1.891 117.100 119.070 -0.131 0.000 2.672 191 H HA 0.191 4.747 4.556 0.001 0.000 0.277 191 H C -0.466 174.796 175.328 -0.110 0.000 1.074 191 H CA 0.012 55.950 56.048 -0.184 0.000 1.173 191 H CB 0.939 30.429 29.762 -0.454 0.000 1.558 191 H HN -0.108 nan 8.280 nan 0.000 0.539 192 T N 3.157 117.701 114.554 -0.017 0.000 2.743 192 T HA 0.216 4.567 4.350 0.001 0.000 0.293 192 T C -2.517 172.157 174.700 -0.044 0.000 0.945 192 T CA -1.518 60.549 62.100 -0.055 0.000 1.030 192 T CB 1.381 70.178 68.868 -0.118 0.000 0.912 192 T HN 0.030 nan 8.240 nan 0.000 0.483 193 P HA 0.241 nan 4.420 nan 0.000 0.263 193 P C 0.993 178.256 177.300 -0.062 0.000 1.195 193 P CA 0.744 63.827 63.100 -0.030 0.000 0.762 193 P CB 0.339 32.039 31.700 0.001 0.000 0.799 194 G N 2.637 111.385 108.800 -0.086 0.000 2.179 194 G HA2 -0.164 3.797 3.960 0.001 0.000 0.220 194 G HA3 -0.164 3.797 3.960 0.001 0.000 0.220 194 G C -0.008 174.826 174.900 -0.110 0.000 0.990 194 G CA -0.514 44.523 45.100 -0.105 0.000 0.646 194 G HN 0.468 nan 8.290 nan 0.000 0.517 195 I N 1.407 121.917 120.570 -0.100 0.000 2.530 195 I HA 0.523 4.693 4.170 0.001 0.000 0.297 195 I C -0.294 175.790 176.117 -0.056 0.000 1.011 195 I CA -0.418 60.836 61.300 -0.077 0.000 1.107 195 I CB 2.102 40.035 38.000 -0.111 0.000 1.285 195 I HN -0.002 nan 8.210 nan 0.000 0.436 196 T N 4.936 119.500 114.554 0.017 0.000 2.841 196 T HA 0.473 4.824 4.350 0.001 0.000 0.285 196 T C -0.360 174.431 174.700 0.152 0.000 0.991 196 T CA -0.441 61.688 62.100 0.048 0.000 0.966 196 T CB 2.182 71.080 68.868 0.050 0.000 0.962 196 T HN 0.217 nan 8.240 nan 0.000 0.438 197 V N 3.944 123.936 119.914 0.129 0.000 2.384 197 V HA 0.647 4.768 4.120 0.001 0.000 0.287 197 V C 0.197 176.380 176.094 0.147 0.000 1.020 197 V CA -0.705 61.700 62.300 0.175 0.000 0.850 197 V CB 1.330 33.273 31.823 0.201 0.000 0.987 197 V HN 1.066 nan 8.190 nan 0.000 0.436 198 S N 3.747 119.487 115.700 0.068 0.000 2.607 198 S HA 0.937 5.408 4.470 0.001 0.000 0.303 198 S C -0.244 174.275 174.600 -0.135 0.000 1.086 198 S CA -0.554 57.711 58.200 0.107 0.000 0.995 198 S CB 2.166 65.546 63.200 0.300 0.000 1.084 198 S HN 1.109 nan 8.310 nan 0.000 0.507 199 A N 0.497 123.245 122.820 -0.120 0.000 2.295 199 A HA 0.739 5.060 4.320 0.001 0.000 0.318 199 A C -0.544 176.723 177.584 -0.527 0.000 1.134 199 A CA -0.601 51.286 52.037 -0.249 0.000 0.827 199 A CB 0.144 19.091 19.000 -0.088 0.000 1.136 199 A HN 0.883 nan 8.150 nan 0.000 0.493 200 Y N 0.388 120.471 120.300 -0.363 0.000 2.447 200 Y HA 0.228 4.779 4.550 0.001 0.000 0.286 200 Y C 0.204 175.978 175.900 -0.209 0.000 1.153 200 Y CA 0.881 58.611 58.100 -0.616 0.000 1.241 200 Y CB 0.296 38.342 38.460 -0.690 0.000 1.284 200 Y HN 0.817 nan 8.280 nan 0.000 0.520 201 D N -4.114 116.323 120.400 0.061 0.000 2.692 201 D HA 0.130 4.771 4.640 0.001 0.000 0.290 201 D C 0.626 176.930 176.300 0.006 0.000 1.281 201 D CA 0.048 54.107 54.000 0.099 0.000 0.804 201 D CB 0.357 41.321 40.800 0.273 0.000 1.331 201 D HN -0.002 nan 8.370 nan 0.000 0.432 202 T N -3.117 111.421 114.554 -0.026 0.000 2.795 202 T HA -0.242 4.109 4.350 0.001 0.000 0.266 202 T C 0.409 175.047 174.700 -0.104 0.000 1.056 202 T CA 1.739 63.728 62.100 -0.185 0.000 1.141 202 T CB -0.402 68.212 68.868 -0.423 0.000 0.840 202 T HN 0.539 nan 8.240 nan 0.000 0.493 203 D N 0.456 120.830 120.400 -0.043 0.000 2.540 203 D HA 0.210 4.851 4.640 0.001 0.000 0.229 203 D C 0.117 176.249 176.300 -0.280 0.000 1.250 203 D CA -0.212 53.736 54.000 -0.087 0.000 0.817 203 D CB 0.851 41.658 40.800 0.011 0.000 1.060 203 D HN 0.474 nan 8.370 nan 0.000 0.508 204 R N 0.501 120.858 120.500 -0.240 0.000 2.564 204 R HA 0.487 4.827 4.340 0.001 0.000 0.284 204 R C -0.837 175.387 176.300 -0.127 0.000 1.031 204 R CA -0.541 55.397 56.100 -0.270 0.000 0.904 204 R CB 2.009 32.075 30.300 -0.390 0.000 1.199 204 R HN -0.141 nan 8.270 nan 0.000 0.443 205 N N 0.389 118.978 118.700 -0.185 0.000 2.545 205 N HA 0.359 5.100 4.740 0.001 0.000 0.289 205 N C -1.392 173.858 175.510 -0.433 0.000 1.279 205 N CA -0.862 52.032 53.050 -0.260 0.000 0.824 205 N CB 1.579 39.981 38.487 -0.143 0.000 1.395 205 N HN 0.438 nan 8.380 nan 0.000 0.526 206 N N -0.218 118.164 118.700 -0.530 0.000 2.258 206 N HA 0.391 5.132 4.740 0.001 0.000 0.299 206 N C -2.024 173.259 175.510 -0.378 0.000 1.047 206 N CA -0.422 52.280 53.050 -0.580 0.000 0.814 206 N CB 0.811 38.815 38.487 -0.806 0.000 1.413 206 N HN 0.333 nan 8.380 nan 0.000 0.478 207 Y N 2.013 122.167 120.300 -0.242 0.000 2.350 207 Y HA 0.421 4.972 4.550 0.001 0.000 0.338 207 Y C -0.965 174.828 175.900 -0.179 0.000 0.961 207 Y CA -0.816 57.185 58.100 -0.165 0.000 1.100 207 Y CB 0.729 39.137 38.460 -0.087 0.000 1.179 207 Y HN 0.412 nan 8.280 nan 0.000 0.454 208 Y N 1.103 121.450 120.300 0.079 0.000 2.387 208 Y HA 0.766 5.317 4.550 0.001 0.000 0.336 208 Y C -0.052 175.830 175.900 -0.031 0.000 1.067 208 Y CA -1.212 56.893 58.100 0.007 0.000 1.114 208 Y CB 1.959 40.388 38.460 -0.052 0.000 1.208 208 Y HN 0.658 nan 8.280 nan 0.000 0.458 209 A N 2.746 125.660 122.820 0.156 0.000 2.359 209 A HA 0.696 5.017 4.320 0.001 0.000 0.303 209 A C -0.200 177.420 177.584 0.061 0.000 1.066 209 A CA -1.087 50.969 52.037 0.032 0.000 0.730 209 A CB 0.635 19.606 19.000 -0.049 0.000 1.211 209 A HN 0.944 nan 8.150 nan 0.000 0.439 210 R N 1.456 121.939 120.500 -0.029 0.000 3.422 210 R HA -0.223 4.118 4.340 0.001 0.000 0.267 210 R C 1.085 177.397 176.300 0.020 0.000 1.074 210 R CA 1.186 57.291 56.100 0.007 0.000 0.718 210 R CB -1.922 28.348 30.300 -0.051 0.000 1.157 210 R HN 2.518 nan 8.270 nan 0.000 0.440 211 G N -1.578 107.118 108.800 -0.174 0.000 2.179 211 G HA2 -0.336 3.625 3.960 0.001 0.000 0.260 211 G HA3 -0.336 3.625 3.960 0.001 0.000 0.260 211 G C -0.030 174.475 174.900 -0.658 0.000 0.977 211 G CA 0.421 45.250 45.100 -0.452 0.000 0.641 211 G HN 0.332 nan 8.290 nan 0.000 0.533 212 F N 0.907 120.887 119.950 0.050 0.000 2.532 212 F HA 0.679 5.207 4.527 0.001 0.000 0.321 212 F C 0.731 176.633 175.800 0.169 0.000 1.089 212 F CA -0.899 57.160 58.000 0.098 0.000 0.926 212 F CB 2.130 41.137 39.000 0.012 0.000 1.168 212 F HN -0.047 nan 8.300 nan 0.000 0.459 213 S N 3.059 118.939 115.700 0.300 0.000 2.481 213 S HA 0.275 4.746 4.470 0.001 0.000 0.282 213 S C 0.139 174.785 174.600 0.077 0.000 1.243 213 S CA -0.391 57.861 58.200 0.088 0.000 1.078 213 S CB -0.303 62.911 63.200 0.022 0.000 0.916 213 S HN 0.327 nan 8.310 nan 0.000 0.495 214 I N 3.736 124.322 120.570 0.026 0.000 2.618 214 I HA 0.034 4.205 4.170 0.001 0.000 0.284 214 I C 0.947 177.012 176.117 -0.087 0.000 1.146 214 I CA 0.195 61.459 61.300 -0.060 0.000 1.425 214 I CB 0.293 38.240 38.000 -0.089 0.000 1.383 214 I HN 0.581 nan 8.210 nan 0.000 0.562 215 N N 5.075 123.699 118.700 -0.127 0.000 2.475 215 N HA 0.127 4.868 4.740 0.001 0.000 0.272 215 N C -1.262 174.193 175.510 -0.093 0.000 1.482 215 N CA -0.266 52.760 53.050 -0.042 0.000 0.863 215 N CB 0.333 38.832 38.487 0.020 0.000 1.400 215 N HN 0.433 nan 8.380 nan 0.000 0.489 216 N N 0.722 119.230 118.700 -0.320 0.000 2.442 216 N HA 0.310 5.051 4.740 0.001 0.000 0.274 216 N C -1.527 173.674 175.510 -0.516 0.000 1.002 216 N CA -0.098 52.782 53.050 -0.285 0.000 0.910 216 N CB 0.751 39.075 38.487 -0.272 0.000 1.244 216 N HN 0.059 nan 8.380 nan 0.000 0.492 217 F N 0.695 120.570 119.950 -0.126 0.000 2.482 217 F HA 0.412 4.940 4.527 0.001 0.000 0.331 217 F C 0.672 176.283 175.800 -0.314 0.000 1.115 217 F CA -0.709 57.146 58.000 -0.242 0.000 0.955 217 F CB 1.903 40.792 39.000 -0.184 0.000 1.136 217 F HN 0.072 nan 8.300 nan 0.000 0.452 218 Q N 1.838 121.448 119.800 -0.316 0.000 2.345 218 Q HA 0.491 4.832 4.340 0.001 0.000 0.268 218 Q C -1.778 173.843 176.000 -0.631 0.000 1.054 218 Q CA -1.036 54.582 55.803 -0.308 0.000 0.835 218 Q CB 2.593 31.204 28.738 -0.211 0.000 1.339 218 Q HN 0.550 nan 8.270 nan 0.000 0.447 219 Y N 0.928 121.222 120.300 -0.011 0.000 2.338 219 Y HA 0.161 4.711 4.550 0.001 0.000 0.328 219 Y C -0.553 175.319 175.900 -0.046 0.000 0.965 219 Y CA -0.901 57.191 58.100 -0.014 0.000 1.208 219 Y CB 1.203 39.664 38.460 0.002 0.000 1.132 219 Y HN 0.633 nan 8.280 nan 0.000 0.469 220 D N 3.166 123.593 120.400 0.045 0.000 2.697 220 D HA -0.203 4.438 4.640 0.001 0.000 0.235 220 D C 1.372 177.673 176.300 0.001 0.000 1.167 220 D CA 1.906 55.915 54.000 0.014 0.000 0.656 220 D CB -0.838 39.948 40.800 -0.024 0.000 1.025 220 D HN 1.114 nan 8.370 nan 0.000 0.419 221 G N -0.935 107.842 108.800 -0.038 0.000 2.284 221 G HA2 -0.342 3.619 3.960 0.001 0.000 0.261 221 G HA3 -0.342 3.619 3.960 0.001 0.000 0.261 221 G C 0.425 175.304 174.900 -0.035 0.000 0.997 221 G CA 0.344 45.410 45.100 -0.056 0.000 0.621 221 G HN 0.485 nan 8.290 nan 0.000 0.534 222 I N 3.585 124.165 120.570 0.017 0.000 2.379 222 I HA 0.270 4.441 4.170 0.001 0.000 0.290 222 I C -1.683 174.477 176.117 0.071 0.000 1.063 222 I CA -3.117 58.216 61.300 0.056 0.000 1.351 222 I CB 0.487 38.541 38.000 0.090 0.000 1.410 222 I HN -0.004 nan 8.210 nan 0.000 0.505 223 P HA 0.029 nan 4.420 nan 0.000 0.271 223 P C -0.129 177.239 177.300 0.113 0.000 1.220 223 P CA -0.136 62.988 63.100 0.041 0.000 0.768 223 P CB 0.867 32.562 31.700 -0.008 0.000 0.848 224 S N 2.054 117.853 115.700 0.165 0.000 2.545 224 S HA 0.257 4.728 4.470 0.001 0.000 0.275 224 S C 1.206 175.878 174.600 0.120 0.000 1.299 224 S CA -0.054 58.257 58.200 0.185 0.000 1.048 224 S CB -0.005 63.371 63.200 0.292 0.000 0.938 224 S HN 0.562 nan 8.310 nan 0.000 0.496 225 T N 1.361 115.968 114.554 0.088 0.000 3.054 225 T HA 0.367 4.718 4.350 0.001 0.000 0.255 225 T C 0.671 175.398 174.700 0.044 0.000 1.035 225 T CA 0.194 62.341 62.100 0.078 0.000 0.941 225 T CB 0.037 68.954 68.868 0.080 0.000 1.026 225 T HN 0.703 nan 8.240 nan 0.000 0.533 226 A N 2.080 124.905 122.820 0.007 0.000 3.135 226 A HA 0.445 4.765 4.320 0.001 0.000 0.253 226 A C 1.220 178.758 177.584 -0.076 0.000 1.638 226 A CA -0.835 51.156 52.037 -0.077 0.000 1.295 226 A CB -0.624 18.308 19.000 -0.113 0.000 1.106 226 A HN 0.605 nan 8.150 nan 0.000 0.648 227 R N -0.051 120.433 120.500 -0.027 0.000 2.359 227 R HA 0.138 4.479 4.340 0.001 0.000 0.231 227 R C 0.116 176.420 176.300 0.008 0.000 0.913 227 R CA -0.264 55.849 56.100 0.021 0.000 1.075 227 R CB 0.023 30.360 30.300 0.063 0.000 1.087 227 R HN 0.338 nan 8.270 nan 0.000 0.515 228 N N 1.248 119.924 118.700 -0.039 0.000 2.462 228 N HA 0.022 4.762 4.740 0.001 0.000 0.242 228 N C 1.041 176.524 175.510 -0.044 0.000 1.010 228 N CA -0.375 52.685 53.050 0.016 0.000 0.939 228 N CB 1.595 40.160 38.487 0.130 0.000 1.127 228 N HN 0.022 nan 8.380 nan 0.000 0.509 229 V N 1.747 121.611 119.914 -0.083 0.000 3.026 229 V HA 0.015 4.136 4.120 0.001 0.000 0.265 229 V C 1.962 177.912 176.094 -0.240 0.000 1.121 229 V CA 1.681 63.859 62.300 -0.204 0.000 1.142 229 V CB -1.073 30.592 31.823 -0.263 0.000 0.730 229 V HN 0.513 nan 8.190 nan 0.000 0.503 230 G N -0.690 108.013 108.800 -0.161 0.000 2.422 230 G HA2 -0.156 3.805 3.960 0.001 0.000 0.218 230 G HA3 -0.156 3.805 3.960 0.001 0.000 0.218 230 G C 0.718 175.333 174.900 -0.475 0.000 1.140 230 G CA 0.592 45.525 45.100 -0.278 0.000 0.775 230 G HN 0.670 nan 8.290 nan 0.000 0.545 231 Y N 0.783 120.980 120.300 -0.172 0.000 2.525 231 Y HA 0.483 5.034 4.550 0.001 0.000 0.365 231 Y C 0.713 176.423 175.900 -0.316 0.000 0.929 231 Y CA -0.923 56.918 58.100 -0.431 0.000 1.196 231 Y CB 0.517 38.625 38.460 -0.586 0.000 1.232 231 Y HN -0.078 nan 8.280 nan 0.000 0.613 232 S N 1.913 117.602 115.700 -0.018 0.000 2.737 232 S HA 0.205 4.676 4.470 0.001 0.000 0.315 232 S C 0.816 175.401 174.600 -0.024 0.000 1.236 232 S CA 0.362 58.437 58.200 -0.209 0.000 1.093 232 S CB 0.044 62.807 63.200 -0.728 0.000 0.832 232 S HN 0.625 nan 8.310 nan 0.000 0.507 233 A N 3.579 126.351 122.820 -0.080 0.000 2.855 233 A HA 0.598 4.918 4.320 0.001 0.000 0.301 233 A C 1.231 178.726 177.584 -0.148 0.000 1.076 233 A CA 0.063 52.076 52.037 -0.040 0.000 1.004 233 A CB -0.547 18.434 19.000 -0.031 0.000 1.152 233 A HN 1.487 nan 8.150 nan 0.000 0.531 234 G N 0.250 108.942 108.800 -0.180 0.000 2.194 234 G HA2 -0.276 3.685 3.960 0.001 0.000 0.236 234 G HA3 -0.276 3.685 3.960 0.001 0.000 0.236 234 G C 0.833 175.598 174.900 -0.225 0.000 0.987 234 G CA 0.341 45.336 45.100 -0.176 0.000 0.635 234 G HN 0.437 nan 8.290 nan 0.000 0.520 235 N N 0.409 118.907 118.700 -0.338 0.000 2.364 235 N HA -0.065 4.676 4.740 0.001 0.000 0.183 235 N C 2.090 177.293 175.510 -0.512 0.000 1.022 235 N CA 1.786 54.490 53.050 -0.578 0.000 0.883 235 N CB -0.280 37.537 38.487 -1.117 0.000 0.965 235 N HN 0.586 nan 8.380 nan 0.000 0.438 236 T N -0.706 113.657 114.554 -0.318 0.000 3.088 236 T HA 0.157 4.508 4.350 0.001 0.000 0.259 236 T C 1.330 176.021 174.700 -0.016 0.000 1.122 236 T CA 0.347 62.355 62.100 -0.153 0.000 1.095 236 T CB 0.153 68.871 68.868 -0.249 0.000 0.930 236 T HN 0.106 nan 8.240 nan 0.000 0.508 237 L N 0.677 121.868 121.223 -0.054 0.000 3.086 237 L HA 0.378 4.718 4.340 0.001 0.000 0.274 237 L C 0.475 177.358 176.870 0.021 0.000 1.184 237 L CA -0.348 54.487 54.840 -0.008 0.000 1.002 237 L CB 0.576 42.615 42.059 -0.033 0.000 1.383 237 L HN 0.017 nan 8.230 nan 0.000 0.582 238 S N 1.444 117.162 115.700 0.030 0.000 2.626 238 S HA -0.085 4.386 4.470 0.001 0.000 0.303 238 S C 0.060 174.740 174.600 0.134 0.000 1.256 238 S CA 0.338 58.597 58.200 0.100 0.000 1.069 238 S CB 0.255 63.547 63.200 0.153 0.000 0.807 238 S HN 0.183 nan 8.310 nan 0.000 0.500 239 D N 2.208 122.698 120.400 0.148 0.000 2.264 239 D HA 0.118 4.759 4.640 0.001 0.000 0.250 239 D C 0.700 177.129 176.300 0.214 0.000 1.113 239 D CA -0.533 53.544 54.000 0.130 0.000 0.871 239 D CB 0.696 41.538 40.800 0.071 0.000 1.167 239 D HN 0.279 nan 8.370 nan 0.000 0.447 240 M N 2.987 122.699 119.600 0.187 0.000 2.557 240 M HA -0.016 4.464 4.480 0.001 0.000 0.259 240 M C 1.860 178.266 176.300 0.177 0.000 1.086 240 M CA 0.345 55.798 55.300 0.255 0.000 1.096 240 M CB -1.199 31.479 32.600 0.131 0.000 1.424 240 M HN 0.540 nan 8.290 nan 0.000 0.488 241 A N 0.817 123.691 122.820 0.090 0.000 2.076 241 A HA -0.117 4.204 4.320 0.001 0.000 0.220 241 A C 1.893 179.479 177.584 0.003 0.000 1.160 241 A CA 1.265 53.338 52.037 0.061 0.000 0.653 241 A CB -0.879 18.153 19.000 0.054 0.000 0.801 241 A HN 0.663 nan 8.150 nan 0.000 0.455 242 I N -5.202 115.264 120.570 -0.173 0.000 3.976 242 I HA 0.374 4.545 4.170 0.001 0.000 0.337 242 I C -0.527 175.259 176.117 -0.551 0.000 1.359 242 I CA -0.633 60.431 61.300 -0.392 0.000 1.098 242 I CB 0.133 37.706 38.000 -0.712 0.000 1.027 242 I HN 0.079 nan 8.210 nan 0.000 0.394 243 Y N 0.559 120.857 120.300 -0.003 0.000 2.468 243 Y HA 0.363 4.914 4.550 0.001 0.000 0.342 243 Y C 0.806 176.721 175.900 0.025 0.000 1.021 243 Y CA -0.845 57.255 58.100 0.001 0.000 1.079 243 Y CB 1.603 40.060 38.460 -0.005 0.000 1.226 243 Y HN -0.092 nan 8.280 nan 0.000 0.460 244 D N 0.740 121.262 120.400 0.204 0.000 2.149 244 D HA 0.046 4.686 4.640 0.001 0.000 0.206 244 D C 0.079 176.433 176.300 0.090 0.000 0.967 244 D CA 0.886 54.961 54.000 0.125 0.000 0.848 244 D CB 0.495 41.358 40.800 0.106 0.000 0.998 244 D HN 0.623 nan 8.370 nan 0.000 0.474 245 R N -1.604 118.942 120.500 0.076 0.000 2.716 245 R HA 0.542 4.883 4.340 0.001 0.000 0.271 245 R C -1.973 174.303 176.300 -0.041 0.000 1.028 245 R CA -0.946 55.161 56.100 0.011 0.000 0.883 245 R CB 1.188 31.489 30.300 0.003 0.000 1.250 245 R HN -0.152 nan 8.270 nan 0.000 0.465 246 V N 1.540 121.400 119.914 -0.090 0.000 2.357 246 V HA 0.321 4.441 4.120 0.001 0.000 0.284 246 V C -0.435 175.576 176.094 -0.137 0.000 1.018 246 V CA -0.654 61.557 62.300 -0.150 0.000 0.841 246 V CB 1.371 33.085 31.823 -0.182 0.000 0.991 246 V HN 0.707 nan 8.190 nan 0.000 0.437 247 E N 3.419 123.530 120.200 -0.147 0.000 2.174 247 E HA 0.525 4.876 4.350 0.001 0.000 0.282 247 E C -1.083 175.414 176.600 -0.173 0.000 0.992 247 E CA -0.504 55.813 56.400 -0.139 0.000 0.803 247 E CB 2.155 31.780 29.700 -0.125 0.000 1.090 247 E HN 0.477 nan 8.360 nan 0.000 0.396 248 V N 4.531 124.347 119.914 -0.164 0.000 2.334 248 V HA 0.223 4.344 4.120 0.001 0.000 0.281 248 V C -0.671 175.321 176.094 -0.170 0.000 1.016 248 V CA -0.813 61.376 62.300 -0.186 0.000 0.832 248 V CB 0.863 32.579 31.823 -0.179 0.000 0.999 248 V HN 0.482 nan 8.190 nan 0.000 0.439 249 L N 6.399 127.510 121.223 -0.185 0.000 2.265 249 L HA 0.574 4.914 4.340 0.001 0.000 0.289 249 L C -0.129 176.630 176.870 -0.185 0.000 1.033 249 L CA 0.072 54.808 54.840 -0.173 0.000 0.814 249 L CB 0.834 42.788 42.059 -0.174 0.000 1.203 249 L HN 0.531 nan 8.230 nan 0.000 0.423 250 K N 4.705 124.997 120.400 -0.180 0.000 2.206 250 K HA 0.847 5.168 4.320 0.001 0.000 0.264 250 K C 0.076 176.538 176.600 -0.229 0.000 0.967 250 K CA -0.242 55.917 56.287 -0.212 0.000 0.844 250 K CB 1.750 34.110 32.500 -0.233 0.000 1.099 250 K HN 0.911 nan 8.250 nan 0.000 0.441 251 G N 1.464 110.116 108.800 -0.246 0.000 2.178 251 G HA2 0.094 4.055 3.960 0.001 0.000 0.147 251 G HA3 0.094 4.055 3.960 0.001 0.000 0.147 251 G C -1.577 173.180 174.900 -0.238 0.000 1.245 251 G CA -0.320 44.635 45.100 -0.241 0.000 1.275 251 G HN 0.695 nan 8.290 nan 0.000 0.491 252 A N 0.434 123.116 122.820 -0.230 0.000 2.273 252 A HA 0.754 5.075 4.320 0.001 0.000 0.315 252 A C 0.652 178.112 177.584 -0.207 0.000 1.256 252 A CA 0.898 52.786 52.037 -0.249 0.000 0.851 252 A CB 0.847 19.678 19.000 -0.282 0.000 1.172 252 A HN 2.107 nan 8.150 nan 0.000 0.508 253 T N -0.304 114.121 114.554 -0.214 0.000 3.266 253 T HA 0.287 4.638 4.350 0.001 0.000 0.278 253 T C 1.303 175.877 174.700 -0.209 0.000 1.010 253 T CA 0.624 62.608 62.100 -0.194 0.000 0.909 253 T CB 0.163 68.904 68.868 -0.211 0.000 1.122 253 T HN 0.763 nan 8.240 nan 0.000 0.536 254 G N 1.910 110.586 108.800 -0.207 0.000 2.450 254 G HA2 -0.146 3.814 3.960 0.001 0.000 0.220 254 G HA3 -0.146 3.814 3.960 0.001 0.000 0.220 254 G C 1.225 175.999 174.900 -0.210 0.000 1.130 254 G CA 1.041 46.011 45.100 -0.216 0.000 0.760 254 G HN 0.511 nan 8.290 nan 0.000 0.557 255 L N 0.450 121.559 121.223 -0.190 0.000 1.951 255 L HA -0.107 4.234 4.340 0.001 0.000 0.222 255 L C 2.669 179.331 176.870 -0.347 0.000 1.078 255 L CA 1.890 56.586 54.840 -0.240 0.000 0.778 255 L CB -0.551 41.321 42.059 -0.312 0.000 0.893 255 L HN 0.235 nan 8.230 nan 0.000 0.436 256 L N -1.821 119.172 121.223 -0.382 0.000 2.375 256 L HA -0.041 4.300 4.340 0.001 0.000 0.215 256 L C 2.117 178.797 176.870 -0.317 0.000 1.108 256 L CA 0.943 55.519 54.840 -0.440 0.000 0.830 256 L CB -0.762 41.047 42.059 -0.417 0.000 0.959 256 L HN 0.285 nan 8.230 nan 0.000 0.457 257 T N -0.164 114.232 114.554 -0.263 0.000 2.995 257 T HA 0.099 4.450 4.350 0.001 0.000 0.269 257 T C 1.298 175.876 174.700 -0.202 0.000 1.091 257 T CA 0.762 62.730 62.100 -0.221 0.000 1.128 257 T CB -0.204 68.530 68.868 -0.224 0.000 0.891 257 T HN 0.607 nan 8.240 nan 0.000 0.492 258 G N 1.522 110.194 108.800 -0.214 0.000 2.564 258 G HA2 -0.083 3.877 3.960 0.001 0.000 0.273 258 G HA3 -0.083 3.877 3.960 0.001 0.000 0.273 258 G C 0.229 174.934 174.900 -0.326 0.000 1.242 258 G CA -0.430 44.553 45.100 -0.195 0.000 0.951 258 G HN 0.916 nan 8.290 nan 0.000 0.564 259 A N -0.154 122.426 122.820 -0.399 0.000 2.531 259 A HA 0.704 5.024 4.320 0.001 0.000 0.236 259 A C 1.216 178.536 177.584 -0.440 0.000 1.062 259 A CA 1.770 53.402 52.037 -0.675 0.000 0.760 259 A CB -0.012 18.547 19.000 -0.735 0.000 0.995 259 A HN 2.774 nan 8.150 nan 0.000 0.501 260 G N -0.060 108.464 108.800 -0.460 0.000 2.313 260 G HA2 0.550 4.510 3.960 0.001 0.000 0.296 260 G HA3 0.550 4.510 3.960 0.001 0.000 0.296 260 G C -0.372 174.368 174.900 -0.266 0.000 1.356 260 G CA -0.029 44.896 45.100 -0.292 0.000 0.833 260 G HN 1.708 nan 8.290 nan 0.000 0.552 261 S N -1.041 114.536 115.700 -0.205 0.000 2.645 261 S HA 0.749 5.219 4.470 0.001 0.000 0.266 261 S C 0.544 174.975 174.600 -0.281 0.000 1.258 261 S CA -0.571 57.514 58.200 -0.192 0.000 0.990 261 S CB 1.074 64.208 63.200 -0.109 0.000 0.967 261 S HN 0.698 nan 8.310 nan 0.000 0.556 262 L N 0.855 121.827 121.223 -0.417 0.000 2.479 262 L HA 0.603 4.944 4.340 0.001 0.000 0.249 262 L C 1.674 178.276 176.870 -0.447 0.000 1.178 262 L CA 0.755 55.215 54.840 -0.633 0.000 0.811 262 L CB 0.168 41.441 42.059 -1.310 0.000 1.187 262 L HN 1.127 nan 8.230 nan 0.000 0.480 263 G N 0.018 108.599 108.800 -0.364 0.000 3.102 263 G HA2 0.023 3.984 3.960 0.001 0.000 0.200 263 G HA3 0.023 3.984 3.960 0.001 0.000 0.200 263 G C -0.253 174.544 174.900 -0.171 0.000 1.685 263 G CA 0.224 45.247 45.100 -0.128 0.000 1.299 263 G HN 1.179 nan 8.290 nan 0.000 0.576 264 A N -1.397 121.308 122.820 -0.191 0.000 2.601 264 A HA 0.826 5.146 4.320 0.001 0.000 0.291 264 A C -0.671 176.760 177.584 -0.255 0.000 1.075 264 A CA 0.817 52.725 52.037 -0.215 0.000 0.671 264 A CB 1.168 20.047 19.000 -0.201 0.000 1.277 264 A HN 1.119 nan 8.150 nan 0.000 0.417 265 T N 0.847 115.243 114.554 -0.264 0.000 2.885 265 T HA 0.627 4.978 4.350 0.001 0.000 0.285 265 T C -0.609 173.892 174.700 -0.332 0.000 1.019 265 T CA -0.058 61.855 62.100 -0.311 0.000 1.010 265 T CB 0.675 69.380 68.868 -0.271 0.000 1.022 265 T HN 0.420 nan 8.240 nan 0.000 0.466 266 I N 3.770 124.078 120.570 -0.435 0.000 2.330 266 I HA 0.376 4.547 4.170 0.001 0.000 0.289 266 I C -0.090 175.825 176.117 -0.336 0.000 1.001 266 I CA -0.678 60.394 61.300 -0.380 0.000 1.193 266 I CB 1.140 38.882 38.000 -0.430 0.000 1.345 266 I HN 0.396 nan 8.210 nan 0.000 0.461 267 N N 7.224 125.752 118.700 -0.286 0.000 2.443 267 N HA 0.495 5.235 4.740 0.001 0.000 0.269 267 N C -1.478 173.866 175.510 -0.277 0.000 0.985 267 N CA -0.463 52.417 53.050 -0.283 0.000 0.921 267 N CB 1.093 39.450 38.487 -0.216 0.000 1.195 267 N HN 0.339 nan 8.380 nan 0.000 0.492 268 L N 4.342 125.349 121.223 -0.361 0.000 2.265 268 L HA 0.467 4.808 4.340 0.001 0.000 0.289 268 L C -0.087 176.734 176.870 -0.082 0.000 1.033 268 L CA -0.434 54.185 54.840 -0.368 0.000 0.814 268 L CB 0.880 42.463 42.059 -0.793 0.000 1.203 268 L HN 0.427 nan 8.230 nan 0.000 0.423 269 I N 3.617 124.199 120.570 0.019 0.000 2.325 269 I HA 0.290 4.460 4.170 0.001 0.000 0.291 269 I C 0.794 177.090 176.117 0.298 0.000 1.019 269 I CA -0.285 61.086 61.300 0.119 0.000 1.302 269 I CB 0.800 38.838 38.000 0.063 0.000 1.401 269 I HN 0.600 nan 8.210 nan 0.000 0.485 270 R N 4.908 125.567 120.500 0.264 0.000 2.594 270 R HA 0.150 4.491 4.340 0.001 0.000 0.272 270 R C 0.277 176.652 176.300 0.124 0.000 1.074 270 R CA -0.498 55.671 56.100 0.114 0.000 1.105 270 R CB 0.901 31.198 30.300 -0.004 0.000 1.008 270 R HN 0.492 nan 8.270 nan 0.000 0.472 271 K N 2.538 122.997 120.400 0.097 0.000 2.440 271 K HA -0.010 4.311 4.320 0.001 0.000 0.270 271 K C 0.009 176.753 176.600 0.240 0.000 0.980 271 K CA 0.603 56.995 56.287 0.175 0.000 0.953 271 K CB 0.416 33.026 32.500 0.183 0.000 0.925 271 K HN 0.357 nan 8.250 nan 0.000 0.497 272 K N 1.422 121.919 120.400 0.163 0.000 2.400 272 K HA 0.409 4.729 4.320 0.001 0.000 0.246 272 K C -2.535 174.101 176.600 0.061 0.000 0.995 272 K CA -2.122 54.245 56.287 0.134 0.000 0.840 272 K CB 1.779 34.354 32.500 0.125 0.000 1.293 272 K HN 0.304 nan 8.250 nan 0.000 0.445 273 P HA 0.137 nan 4.420 nan 0.000 0.275 273 P C -1.021 176.254 177.300 -0.042 0.000 1.266 273 P CA -0.401 62.669 63.100 -0.049 0.000 0.793 273 P CB 0.586 32.219 31.700 -0.112 0.000 1.074 274 T N -4.312 110.204 114.554 -0.063 0.000 2.909 274 T HA 0.332 4.682 4.350 0.001 0.000 0.299 274 T C 0.894 175.557 174.700 -0.062 0.000 1.073 274 T CA -0.581 61.510 62.100 -0.015 0.000 0.999 274 T CB 0.753 69.641 68.868 0.033 0.000 1.098 274 T HN 0.334 nan 8.240 nan 0.000 0.477 275 H N 0.800 119.882 119.070 0.020 0.000 2.422 275 H HA -0.024 4.533 4.556 0.001 0.000 0.298 275 H C 1.079 176.432 175.328 0.042 0.000 1.098 275 H CA 1.420 57.481 56.048 0.022 0.000 1.315 275 H CB 0.365 30.139 29.762 0.021 0.000 1.382 275 H HN 0.730 nan 8.280 nan 0.000 0.523 276 E N 1.047 121.342 120.200 0.159 0.000 2.250 276 E HA 0.052 4.403 4.350 0.001 0.000 0.269 276 E C -0.843 175.846 176.600 0.149 0.000 1.018 276 E CA -1.147 55.343 56.400 0.149 0.000 0.873 276 E CB 0.869 30.653 29.700 0.140 0.000 1.134 276 E HN 0.015 nan 8.360 nan 0.000 0.403 277 F N 2.348 122.329 119.950 0.051 0.000 2.438 277 F HA 0.236 4.764 4.527 0.002 0.000 0.360 277 F C 0.079 175.927 175.800 0.080 0.000 1.118 277 F CA -0.307 57.725 58.000 0.052 0.000 1.164 277 F CB 0.268 39.296 39.000 0.047 0.000 1.131 277 F HN 0.435 nan 8.300 nan 0.000 0.527 278 K N 4.900 125.035 120.400 -0.443 0.000 2.435 278 K HA 0.960 5.280 4.320 0.001 0.000 0.251 278 K C -0.951 175.319 176.600 -0.548 0.000 0.954 278 K CA -1.028 55.031 56.287 -0.380 0.000 0.820 278 K CB 2.230 34.651 32.500 -0.132 0.000 1.292 278 K HN 0.718 nan 8.250 nan 0.000 0.436 279 G N 1.028 109.564 108.800 -0.441 0.000 2.606 279 G HA2 0.556 4.516 3.960 0.001 0.000 0.300 279 G HA3 0.556 4.516 3.960 0.001 0.000 0.300 279 G C -1.755 172.704 174.900 -0.736 0.000 1.360 279 G CA -0.708 44.112 45.100 -0.466 0.000 0.783 279 G HN 0.974 nan 8.290 nan 0.000 0.484 280 H N -2.651 115.942 119.070 -0.795 0.000 3.014 280 H HA 0.696 5.253 4.556 0.001 0.000 0.337 280 H C -2.013 173.031 175.328 -0.474 0.000 1.320 280 H CA -0.809 54.752 56.048 -0.812 0.000 1.128 280 H CB 1.297 30.822 29.762 -0.395 0.000 1.862 280 H HN 0.581 nan 8.280 nan 0.000 0.536 281 V N 0.938 120.720 119.914 -0.220 0.000 2.680 281 V HA 0.401 4.522 4.120 0.001 0.000 0.309 281 V C -0.301 175.896 176.094 0.172 0.000 1.052 281 V CA -0.614 61.691 62.300 0.008 0.000 0.908 281 V CB 1.883 33.775 31.823 0.115 0.000 1.001 281 V HN 0.867 nan 8.190 nan 0.000 0.431 282 E N 3.015 123.323 120.200 0.181 0.000 2.275 282 E HA 0.653 5.004 4.350 0.001 0.000 0.270 282 E C -1.888 174.812 176.600 0.167 0.000 0.882 282 E CA -0.529 55.984 56.400 0.189 0.000 0.758 282 E CB 1.821 31.639 29.700 0.196 0.000 1.195 282 E HN 0.614 nan 8.360 nan 0.000 0.419 283 L N 3.563 124.885 121.223 0.165 0.000 2.349 283 L HA 0.741 5.082 4.340 0.001 0.000 0.278 283 L C 0.137 177.100 176.870 0.155 0.000 0.996 283 L CA -0.882 54.055 54.840 0.162 0.000 0.825 283 L CB 1.910 44.066 42.059 0.163 0.000 1.243 283 L HN 0.642 nan 8.230 nan 0.000 0.412 284 G N 1.978 110.873 108.800 0.158 0.000 2.482 284 G HA2 0.785 4.746 3.960 0.001 0.000 0.317 284 G HA3 0.785 4.746 3.960 0.001 0.000 0.317 284 G C -1.438 173.557 174.900 0.159 0.000 1.241 284 G CA -0.486 44.702 45.100 0.146 0.000 0.967 284 G HN 0.678 nan 8.290 nan 0.000 0.482 285 A N 0.264 123.170 122.820 0.143 0.000 2.359 285 A HA 0.951 5.271 4.320 0.001 0.000 0.303 285 A C 0.095 177.706 177.584 0.045 0.000 1.066 285 A CA -0.070 51.998 52.037 0.051 0.000 0.730 285 A CB 1.759 20.801 19.000 0.070 0.000 1.211 285 A HN 1.634 nan 8.150 nan 0.000 0.439 286 G N 0.175 108.921 108.800 -0.090 0.000 2.642 286 G HA2 0.552 4.513 3.960 0.001 0.000 0.293 286 G HA3 0.552 4.513 3.960 0.001 0.000 0.293 286 G C -0.291 174.502 174.900 -0.178 0.000 1.341 286 G CA -0.490 44.572 45.100 -0.064 0.000 0.916 286 G HN 0.909 nan 8.290 nan 0.000 0.474 287 S N 0.721 116.254 115.700 -0.277 0.000 2.593 287 S HA 0.023 4.493 4.470 0.001 0.000 0.303 287 S C -0.077 174.299 174.600 -0.374 0.000 1.267 287 S CA 0.954 58.784 58.200 -0.616 0.000 1.047 287 S CB -0.221 62.226 63.200 -1.254 0.000 0.777 287 S HN 0.722 nan 8.310 nan 0.000 0.498 288 W N 1.704 123.020 121.300 0.025 0.000 5.324 288 W HA -0.167 4.494 4.660 0.001 0.000 0.404 288 W C -0.247 176.246 176.519 -0.043 0.000 1.566 288 W CA 0.224 57.598 57.345 0.049 0.000 0.927 288 W CB -2.940 26.606 29.460 0.144 0.000 2.757 288 W HN 0.955 nan 8.180 nan 0.000 1.382 289 D N -0.227 120.121 120.400 -0.086 0.000 2.810 289 D HA -0.233 4.408 4.640 0.001 0.000 0.224 289 D C 0.230 176.309 176.300 -0.369 0.000 1.222 289 D CA 1.259 55.054 54.000 -0.342 0.000 0.698 289 D CB -0.931 39.700 40.800 -0.280 0.000 0.961 289 D HN 0.310 nan 8.370 nan 0.000 0.403 290 N N 1.053 119.537 118.700 -0.360 0.000 2.527 290 N HA 0.167 4.908 4.740 0.001 0.000 0.236 290 N C -1.425 173.914 175.510 -0.286 0.000 0.999 290 N CA -0.220 52.727 53.050 -0.172 0.000 0.935 290 N CB 0.281 38.769 38.487 0.001 0.000 1.132 290 N HN 0.070 nan 8.380 nan 0.000 0.511 291 Y N 1.934 122.260 120.300 0.043 0.000 2.341 291 Y HA 0.466 5.016 4.550 0.001 0.000 0.337 291 Y C 0.691 176.608 175.900 0.028 0.000 1.014 291 Y CA -0.837 57.289 58.100 0.045 0.000 1.111 291 Y CB 1.444 39.935 38.460 0.052 0.000 1.194 291 Y HN 0.365 nan 8.280 nan 0.000 0.462 292 R N 1.611 122.234 120.500 0.205 0.000 2.651 292 R HA 0.781 5.122 4.340 0.001 0.000 0.278 292 R C -1.583 174.819 176.300 0.169 0.000 1.010 292 R CA -0.626 55.556 56.100 0.138 0.000 0.896 292 R CB 1.653 32.008 30.300 0.091 0.000 1.211 292 R HN 0.751 nan 8.270 nan 0.000 0.456 293 S N 1.848 117.656 115.700 0.180 0.000 2.536 293 S HA 0.518 4.989 4.470 0.001 0.000 0.287 293 S C -1.041 173.644 174.600 0.141 0.000 1.101 293 S CA -0.799 57.504 58.200 0.172 0.000 0.950 293 S CB 2.010 65.325 63.200 0.192 0.000 1.056 293 S HN 0.764 nan 8.310 nan 0.000 0.481 294 E N 1.462 121.730 120.200 0.114 0.000 2.331 294 E HA 0.632 4.982 4.350 0.001 0.000 0.275 294 E C -2.210 174.399 176.600 0.014 0.000 0.895 294 E CA -0.952 55.492 56.400 0.073 0.000 0.753 294 E CB 1.736 31.488 29.700 0.087 0.000 1.216 294 E HN 0.538 nan 8.360 nan 0.000 0.434 295 L N 3.263 124.466 121.223 -0.033 0.000 2.408 295 L HA 0.601 4.942 4.340 0.001 0.000 0.268 295 L C -1.897 174.873 176.870 -0.166 0.000 0.986 295 L CA -0.386 54.398 54.840 -0.093 0.000 0.820 295 L CB 1.892 43.952 42.059 0.002 0.000 1.303 295 L HN 0.661 nan 8.230 nan 0.000 0.411 296 D N 3.568 123.780 120.400 -0.313 0.000 2.616 296 D HA 0.526 5.167 4.640 0.001 0.000 0.238 296 D C -1.757 174.407 176.300 -0.228 0.000 1.354 296 D CA -0.036 53.782 54.000 -0.304 0.000 0.970 296 D CB 1.625 42.101 40.800 -0.541 0.000 1.369 296 D HN 0.257 nan 8.370 nan 0.000 0.585 297 V N 1.681 121.524 119.914 -0.117 0.000 2.604 297 V HA 0.834 4.954 4.120 0.001 0.000 0.305 297 V C -0.012 176.001 176.094 -0.135 0.000 1.043 297 V CA -0.808 61.426 62.300 -0.110 0.000 0.888 297 V CB 1.687 33.506 31.823 -0.007 0.000 0.995 297 V HN 0.512 nan 8.190 nan 0.000 0.429 298 S N 1.636 117.206 115.700 -0.216 0.000 2.540 298 S HA 0.968 5.438 4.470 0.001 0.000 0.275 298 S C -0.270 174.269 174.600 -0.102 0.000 1.123 298 S CA 0.347 58.466 58.200 -0.136 0.000 0.907 298 S CB 1.837 64.971 63.200 -0.109 0.000 1.081 298 S HN 1.728 nan 8.310 nan 0.000 0.476 299 G N 2.766 111.559 108.800 -0.012 0.000 2.320 299 G HA2 0.439 4.400 3.960 0.001 0.000 0.296 299 G HA3 0.439 4.400 3.960 0.001 0.000 0.296 299 G C -3.559 171.345 174.900 0.007 0.000 1.306 299 G CA -0.688 44.458 45.100 0.076 0.000 0.836 299 G HN 0.530 nan 8.290 nan 0.000 0.517 300 P HA 0.331 nan 4.420 nan 0.000 0.275 300 P C 0.470 177.740 177.300 -0.050 0.000 1.227 300 P CA -0.228 62.841 63.100 -0.052 0.000 0.781 300 P CB 1.513 33.190 31.700 -0.038 0.000 0.906 301 L N 1.067 122.237 121.223 -0.089 0.000 2.556 301 L HA 0.119 4.459 4.340 0.001 0.000 0.226 301 L C 1.306 178.131 176.870 -0.075 0.000 1.089 301 L CA 0.555 55.346 54.840 -0.081 0.000 0.864 301 L CB -0.065 41.930 42.059 -0.106 0.000 1.067 301 L HN 0.447 nan 8.230 nan 0.000 0.477 302 T N -3.898 110.607 114.554 -0.082 0.000 2.918 302 T HA 0.179 4.530 4.350 0.001 0.000 0.286 302 T C 0.948 175.574 174.700 -0.122 0.000 1.026 302 T CA -0.762 61.289 62.100 -0.081 0.000 1.031 302 T CB 1.828 70.663 68.868 -0.055 0.000 1.046 302 T HN 0.103 nan 8.240 nan 0.000 0.479 303 E N 1.169 121.265 120.200 -0.173 0.000 2.347 303 E HA -0.110 4.241 4.350 0.001 0.000 0.196 303 E C 1.696 178.079 176.600 -0.362 0.000 1.008 303 E CA 1.207 57.411 56.400 -0.328 0.000 0.852 303 E CB -0.539 28.881 29.700 -0.466 0.000 0.783 303 E HN 0.722 nan 8.360 nan 0.000 0.505 304 S N -0.233 115.347 115.700 -0.201 0.000 2.528 304 S HA 0.274 4.745 4.470 0.001 0.000 0.219 304 S C 1.711 176.280 174.600 -0.052 0.000 0.985 304 S CA 0.509 58.638 58.200 -0.119 0.000 0.914 304 S CB -0.031 63.139 63.200 -0.050 0.000 0.776 304 S HN 0.472 nan 8.310 nan 0.000 0.526 305 G N 3.063 111.826 108.800 -0.061 0.000 2.179 305 G HA2 -0.395 3.565 3.960 0.001 0.000 0.260 305 G HA3 -0.395 3.565 3.960 0.001 0.000 0.260 305 G C 0.854 175.730 174.900 -0.039 0.000 0.977 305 G CA 0.476 45.557 45.100 -0.032 0.000 0.641 305 G HN 0.710 nan 8.290 nan 0.000 0.533 306 N N 0.181 118.871 118.700 -0.016 0.000 2.289 306 N HA -0.007 4.733 4.740 0.001 0.000 0.184 306 N C 0.712 176.211 175.510 -0.019 0.000 1.016 306 N CA 1.718 54.773 53.050 0.008 0.000 0.872 306 N CB -0.171 38.336 38.487 0.034 0.000 0.973 306 N HN 0.554 nan 8.380 nan 0.000 0.433 307 V N 0.862 120.735 119.914 -0.067 0.000 2.459 307 V HA 0.452 4.573 4.120 0.001 0.000 0.295 307 V C 0.128 176.088 176.094 -0.224 0.000 1.029 307 V CA -0.779 61.415 62.300 -0.176 0.000 0.874 307 V CB 1.452 33.181 31.823 -0.156 0.000 0.985 307 V HN 0.127 nan 8.190 nan 0.000 0.438 308 R N 1.846 122.166 120.500 -0.299 0.000 2.807 308 R HA 0.834 5.175 4.340 0.001 0.000 0.276 308 R C -0.201 175.935 176.300 -0.273 0.000 0.979 308 R CA -0.535 55.409 56.100 -0.260 0.000 0.928 308 R CB 2.453 32.583 30.300 -0.283 0.000 1.191 308 R HN 0.939 nan 8.270 nan 0.000 0.471 309 G N 0.836 109.518 108.800 -0.197 0.000 2.659 309 G HA2 0.595 4.556 3.960 0.001 0.000 0.296 309 G HA3 0.595 4.556 3.960 0.001 0.000 0.296 309 G C -1.655 173.155 174.900 -0.150 0.000 1.369 309 G CA -0.558 44.426 45.100 -0.192 0.000 0.937 309 G HN 0.416 nan 8.290 nan 0.000 0.485 310 R N 0.023 120.412 120.500 -0.185 0.000 2.673 310 R HA 0.752 5.093 4.340 0.001 0.000 0.281 310 R C -0.955 175.201 176.300 -0.241 0.000 0.991 310 R CA -0.541 55.454 56.100 -0.176 0.000 0.896 310 R CB 2.116 32.330 30.300 -0.143 0.000 1.201 310 R HN 0.890 nan 8.270 nan 0.000 0.457 311 A N 2.846 125.571 122.820 -0.159 0.000 2.414 311 A HA 0.717 5.038 4.320 0.001 0.000 0.306 311 A C -1.485 176.070 177.584 -0.047 0.000 1.054 311 A CA -0.607 51.350 52.037 -0.133 0.000 0.724 311 A CB 1.992 20.945 19.000 -0.078 0.000 1.267 311 A HN 0.394 nan 8.150 nan 0.000 0.418 312 V N 0.631 120.568 119.914 0.039 0.000 2.760 312 V HA 0.838 4.959 4.120 0.001 0.000 0.309 312 V C 0.086 176.262 176.094 0.137 0.000 1.077 312 V CA -0.127 62.226 62.300 0.088 0.000 0.910 312 V CB 1.597 33.520 31.823 0.166 0.000 1.008 312 V HN 1.573 nan 8.190 nan 0.000 0.424 313 A N 3.103 125.979 122.820 0.093 0.000 2.475 313 A HA 1.071 5.391 4.320 0.001 0.000 0.301 313 A C -0.568 177.034 177.584 0.029 0.000 1.059 313 A CA -0.122 51.966 52.037 0.084 0.000 0.710 313 A CB 2.100 21.218 19.000 0.198 0.000 1.288 313 A HN 1.810 nan 8.150 nan 0.000 0.408 314 A N 0.168 122.977 122.820 -0.018 0.000 2.587 314 A HA 0.815 5.136 4.320 0.001 0.000 0.293 314 A C -1.823 175.820 177.584 0.097 0.000 1.087 314 A CA -0.419 51.647 52.037 0.048 0.000 0.692 314 A CB 1.299 20.326 19.000 0.045 0.000 1.291 314 A HN 1.976 nan 8.150 nan 0.000 0.407 315 Y N 0.191 120.485 120.300 -0.010 0.000 2.442 315 Y HA 0.636 5.186 4.550 0.001 0.000 0.330 315 Y C -0.878 175.055 175.900 0.055 0.000 1.100 315 Y CA -0.207 57.895 58.100 0.004 0.000 1.034 315 Y CB 1.823 40.288 38.460 0.009 0.000 1.285 315 Y HN 0.921 nan 8.280 nan 0.000 0.440 316 Q N 4.421 123.873 119.800 -0.579 0.000 2.345 316 Q HA 0.409 4.749 4.340 0.001 0.000 0.275 316 Q C -2.357 173.345 176.000 -0.496 0.000 1.063 316 Q CA -0.750 54.830 55.803 -0.371 0.000 0.819 316 Q CB 2.097 30.768 28.738 -0.113 0.000 1.356 316 Q HN 0.754 nan 8.270 nan 0.000 0.418 317 D N 2.872 123.136 120.400 -0.226 0.000 2.686 317 D HA 0.308 4.949 4.640 0.001 0.000 0.249 317 D C -1.586 174.765 176.300 0.085 0.000 1.260 317 D CA -0.240 53.713 54.000 -0.079 0.000 0.910 317 D CB 1.231 42.056 40.800 0.043 0.000 1.323 317 D HN 0.623 nan 8.370 nan 0.000 0.561 318 K N 1.738 122.204 120.400 0.110 0.000 2.435 318 K HA 0.536 4.856 4.320 0.001 0.000 0.251 318 K C -0.758 176.036 176.600 0.324 0.000 0.954 318 K CA -0.683 55.718 56.287 0.191 0.000 0.820 318 K CB 2.140 34.747 32.500 0.179 0.000 1.292 318 K HN 0.190 nan 8.250 nan 0.000 0.436 319 H N 0.138 119.290 119.070 0.137 0.000 2.885 319 H HA 0.543 5.100 4.556 0.001 0.000 0.263 319 H C -0.084 175.372 175.328 0.213 0.000 1.564 319 H CA -0.339 55.794 56.048 0.140 0.000 1.632 319 H CB 1.318 31.171 29.762 0.152 0.000 1.650 319 H HN 0.855 nan 8.280 nan 0.000 0.928 320 S N -0.895 114.946 115.700 0.235 0.000 2.688 320 S HA 0.169 4.640 4.470 0.001 0.000 0.275 320 S C 0.635 174.882 174.600 -0.589 0.000 1.175 320 S CA -0.344 57.826 58.200 -0.049 0.000 0.818 320 S CB -0.118 62.962 63.200 -0.199 0.000 1.157 320 S HN 0.538 nan 8.310 nan 0.000 0.482 321 F N 0.417 119.422 119.950 -1.574 0.000 2.287 321 F HA 0.239 4.766 4.527 0.001 0.000 0.301 321 F C 0.872 176.330 175.800 -0.571 0.000 1.069 321 F CA 0.350 57.491 58.000 -1.431 0.000 1.372 321 F CB -0.587 37.529 39.000 -1.473 0.000 1.056 321 F HN 0.315 nan 8.300 nan 0.000 0.523 322 M N 2.115 121.047 119.600 -1.113 0.000 2.144 322 M HA 0.081 4.562 4.480 0.001 0.000 0.356 322 M C 0.221 176.255 176.300 -0.444 0.000 1.217 322 M CA -0.365 54.471 55.300 -0.773 0.000 1.087 322 M CB 0.524 32.560 32.600 -0.940 0.000 1.609 322 M HN 0.054 nan 8.290 nan 0.000 0.467 323 D N 3.975 124.177 120.400 -0.330 0.000 2.515 323 D HA -0.136 4.504 4.640 0.001 0.000 0.232 323 D C 0.620 176.625 176.300 -0.492 0.000 1.157 323 D CA 0.924 54.776 54.000 -0.246 0.000 0.871 323 D CB 0.490 41.220 40.800 -0.116 0.000 1.200 323 D HN 0.888 nan 8.370 nan 0.000 0.466 324 H N 0.962 119.934 119.070 -0.164 0.000 2.580 324 H HA -0.298 4.259 4.556 0.001 0.000 0.316 324 H C -1.382 173.871 175.328 -0.125 0.000 1.073 324 H CA 0.714 56.656 56.048 -0.177 0.000 1.135 324 H CB -2.755 26.868 29.762 -0.231 0.000 1.437 324 H HN 0.400 nan 8.280 nan 0.000 0.404 325 Y N 1.083 121.157 120.300 -0.376 0.000 2.350 325 Y HA 0.486 5.037 4.550 0.001 0.000 0.338 325 Y C -0.295 175.438 175.900 -0.278 0.000 0.961 325 Y CA -0.622 57.295 58.100 -0.304 0.000 1.100 325 Y CB 1.545 39.813 38.460 -0.319 0.000 1.179 325 Y HN 0.539 nan 8.280 nan 0.000 0.454 326 E N 5.746 125.463 120.200 -0.804 0.000 2.356 326 E HA 0.556 4.907 4.350 0.001 0.000 0.275 326 E C -1.909 174.291 176.600 -0.666 0.000 0.904 326 E CA -1.242 54.793 56.400 -0.608 0.000 0.757 326 E CB 2.140 31.577 29.700 -0.439 0.000 1.232 326 E HN 0.705 nan 8.360 nan 0.000 0.442 327 R N 2.324 122.608 120.500 -0.361 0.000 2.515 327 R HA 0.356 4.697 4.340 0.001 0.000 0.291 327 R C -1.350 174.896 176.300 -0.090 0.000 1.046 327 R CA -0.739 55.222 56.100 -0.232 0.000 0.914 327 R CB 1.379 31.595 30.300 -0.141 0.000 1.191 327 R HN 0.560 nan 8.270 nan 0.000 0.435 328 K N 2.358 122.720 120.400 -0.064 0.000 2.213 328 K HA 0.277 4.598 4.320 0.001 0.000 0.270 328 K C -0.598 175.970 176.600 -0.053 0.000 1.002 328 K CA -0.569 55.669 56.287 -0.082 0.000 0.868 328 K CB 2.060 34.572 32.500 0.020 0.000 1.093 328 K HN 0.561 nan 8.250 nan 0.000 0.454 329 T N -0.622 113.851 114.554 -0.135 0.000 2.861 329 T HA 0.470 4.820 4.350 0.001 0.000 0.287 329 T C -0.764 173.929 174.700 -0.011 0.000 1.003 329 T CA -0.626 61.450 62.100 -0.039 0.000 0.977 329 T CB 1.236 70.091 68.868 -0.022 0.000 0.996 329 T HN 0.324 nan 8.240 nan 0.000 0.448 330 S N 2.403 118.151 115.700 0.080 0.000 2.561 330 S HA 0.722 5.193 4.470 0.001 0.000 0.303 330 S C -0.674 173.902 174.600 -0.040 0.000 1.110 330 S CA -0.752 57.500 58.200 0.088 0.000 1.034 330 S CB 1.453 64.763 63.200 0.183 0.000 1.010 330 S HN 1.208 nan 8.310 nan 0.000 0.482 331 V N 3.312 123.102 119.914 -0.207 0.000 2.789 331 V HA 0.852 4.972 4.120 0.001 0.000 0.311 331 V C -2.280 173.620 176.094 -0.324 0.000 1.073 331 V CA -0.489 61.720 62.300 -0.151 0.000 0.921 331 V CB 1.441 33.248 31.823 -0.027 0.000 1.009 331 V HN 0.843 nan 8.190 nan 0.000 0.426 332 Y N 4.978 125.432 120.300 0.258 0.000 2.524 332 Y HA 0.821 5.371 4.550 0.001 0.000 0.347 332 Y C -0.962 175.096 175.900 0.265 0.000 1.005 332 Y CA -0.827 57.394 58.100 0.202 0.000 1.025 332 Y CB 2.223 40.762 38.460 0.132 0.000 1.275 332 Y HN 0.863 nan 8.280 nan 0.000 0.460 333 Y N 0.503 120.930 120.300 0.212 0.000 2.480 333 Y HA 0.734 5.285 4.550 0.001 0.000 0.329 333 Y C -1.131 174.813 175.900 0.074 0.000 1.127 333 Y CA -1.390 56.781 58.100 0.119 0.000 1.037 333 Y CB 2.028 40.520 38.460 0.053 0.000 1.320 333 Y HN 0.760 nan 8.280 nan 0.000 0.446 334 G N 5.337 113.949 108.800 -0.313 0.000 2.682 334 G HA2 0.663 4.624 3.960 0.001 0.000 0.300 334 G HA3 0.663 4.624 3.960 0.001 0.000 0.300 334 G C -2.314 172.275 174.900 -0.518 0.000 1.391 334 G CA -0.791 44.064 45.100 -0.408 0.000 0.990 334 G HN 0.857 nan 8.290 nan 0.000 0.501 335 I N 0.889 121.169 120.570 -0.482 0.000 2.752 335 I HA 0.649 4.819 4.170 0.001 0.000 0.295 335 I C -1.654 174.316 176.117 -0.245 0.000 1.219 335 I CA -1.185 59.919 61.300 -0.327 0.000 1.030 335 I CB 2.159 40.001 38.000 -0.265 0.000 1.259 335 I HN 0.390 nan 8.210 nan 0.000 0.423 336 L N 6.263 127.360 121.223 -0.209 0.000 2.386 336 L HA 0.568 4.909 4.340 0.001 0.000 0.271 336 L C -0.918 175.784 176.870 -0.280 0.000 0.993 336 L CA -0.515 54.132 54.840 -0.322 0.000 0.819 336 L CB 2.078 43.899 42.059 -0.397 0.000 1.294 336 L HN 0.513 nan 8.230 nan 0.000 0.414 337 E N 2.518 122.498 120.200 -0.366 0.000 2.165 337 E HA 0.511 4.862 4.350 0.001 0.000 0.266 337 E C -1.594 174.791 176.600 -0.358 0.000 0.889 337 E CA -0.488 55.779 56.400 -0.223 0.000 0.756 337 E CB 1.916 31.542 29.700 -0.123 0.000 1.131 337 E HN 0.245 nan 8.360 nan 0.000 0.411 338 F N 1.525 121.463 119.950 -0.020 0.000 2.469 338 F HA 0.292 4.819 4.527 0.001 0.000 0.332 338 F C 0.189 175.987 175.800 -0.003 0.000 1.103 338 F CA -1.006 56.983 58.000 -0.018 0.000 0.979 338 F CB 1.345 40.334 39.000 -0.017 0.000 1.137 338 F HN 0.220 nan 8.300 nan 0.000 0.463 339 D N 3.697 124.201 120.400 0.173 0.000 2.313 339 D HA 0.281 4.922 4.640 0.001 0.000 0.239 339 D C 1.012 177.379 176.300 0.111 0.000 1.142 339 D CA -0.030 54.042 54.000 0.121 0.000 0.847 339 D CB 1.597 42.449 40.800 0.086 0.000 1.082 339 D HN 0.454 nan 8.370 nan 0.000 0.480 340 L N 2.292 123.568 121.223 0.088 0.000 2.095 340 L HA -0.042 4.299 4.340 0.001 0.000 0.204 340 L C 0.733 177.629 176.870 0.044 0.000 1.080 340 L CA 0.911 55.782 54.840 0.052 0.000 0.759 340 L CB -0.235 41.844 42.059 0.034 0.000 0.914 340 L HN 0.465 nan 8.230 nan 0.000 0.439 341 N N -3.276 115.455 118.700 0.051 0.000 3.243 341 N HA 0.257 4.997 4.740 0.001 0.000 0.280 341 N C -2.557 172.979 175.510 0.042 0.000 1.545 341 N CA -1.249 51.827 53.050 0.043 0.000 0.854 341 N CB 0.549 39.060 38.487 0.039 0.000 1.612 341 N HN -0.379 nan 8.380 nan 0.000 0.577 342 P HA 0.085 nan 4.420 nan 0.000 0.244 342 P C -0.608 176.693 177.300 0.001 0.000 1.211 342 P CA 0.941 64.055 63.100 0.023 0.000 0.760 342 P CB 0.072 31.783 31.700 0.017 0.000 0.961 343 D N -2.380 118.015 120.400 -0.008 0.000 2.514 343 D HA 0.098 4.738 4.640 0.001 0.000 0.225 343 D C -0.171 176.097 176.300 -0.053 0.000 1.159 343 D CA 0.600 54.546 54.000 -0.090 0.000 0.823 343 D CB 0.919 41.622 40.800 -0.162 0.000 1.097 343 D HN 0.041 nan 8.370 nan 0.000 0.519 344 T N 0.995 115.583 114.554 0.056 0.000 2.991 344 T HA 0.454 4.805 4.350 0.001 0.000 0.303 344 T C -0.526 174.227 174.700 0.090 0.000 1.015 344 T CA -0.495 61.676 62.100 0.118 0.000 1.007 344 T CB 2.388 71.354 68.868 0.164 0.000 1.034 344 T HN -0.129 nan 8.240 nan 0.000 0.446 345 M N 4.270 123.925 119.600 0.092 0.000 2.190 345 M HA 0.630 5.111 4.480 0.001 0.000 0.312 345 M C -1.778 174.591 176.300 0.115 0.000 0.990 345 M CA -1.186 54.177 55.300 0.104 0.000 0.927 345 M CB 1.367 34.025 32.600 0.097 0.000 1.571 345 M HN 0.563 nan 8.290 nan 0.000 0.427 346 L N 4.977 126.286 121.223 0.144 0.000 2.295 346 L HA 0.679 5.019 4.340 0.001 0.000 0.285 346 L C -1.107 175.893 176.870 0.218 0.000 1.035 346 L CA 0.506 55.441 54.840 0.158 0.000 0.806 346 L CB 1.906 44.039 42.059 0.124 0.000 1.214 346 L HN 0.700 nan 8.230 nan 0.000 0.426 347 T N 5.121 119.786 114.554 0.186 0.000 2.841 347 T HA 0.627 4.978 4.350 0.001 0.000 0.285 347 T C -0.701 174.075 174.700 0.127 0.000 0.991 347 T CA -0.414 61.788 62.100 0.171 0.000 0.966 347 T CB 1.454 70.442 68.868 0.199 0.000 0.962 347 T HN 0.644 nan 8.240 nan 0.000 0.438 348 V N 0.469 120.421 119.914 0.063 0.000 2.715 348 V HA 1.098 5.218 4.120 0.001 0.000 0.310 348 V C -0.096 175.811 176.094 -0.311 0.000 1.054 348 V CA -0.606 61.632 62.300 -0.103 0.000 0.928 348 V CB 1.575 33.395 31.823 -0.005 0.000 1.007 348 V HN 1.108 nan 8.190 nan 0.000 0.437 349 G N 1.523 109.894 108.800 -0.716 0.000 2.732 349 G HA2 0.878 4.839 3.960 0.001 0.000 0.296 349 G HA3 0.878 4.839 3.960 0.001 0.000 0.296 349 G C -1.150 173.396 174.900 -0.591 0.000 1.448 349 G CA -0.228 44.422 45.100 -0.748 0.000 0.911 349 G HN 1.671 nan 8.290 nan 0.000 0.528 350 A N 1.011 123.781 122.820 -0.083 0.000 2.414 350 A HA 0.919 5.240 4.320 0.001 0.000 0.306 350 A C -1.115 176.695 177.584 0.376 0.000 1.054 350 A CA -0.459 51.657 52.037 0.132 0.000 0.724 350 A CB 2.101 21.145 19.000 0.073 0.000 1.267 350 A HN 1.214 nan 8.150 nan 0.000 0.418 351 D N -0.771 119.851 120.400 0.369 0.000 2.596 351 D HA 0.602 5.243 4.640 0.001 0.000 0.234 351 D C -1.238 175.252 176.300 0.316 0.000 1.181 351 D CA -0.436 53.775 54.000 0.352 0.000 0.856 351 D CB 1.134 42.047 40.800 0.188 0.000 1.498 351 D HN 0.579 nan 8.370 nan 0.000 0.446 352 Y N -0.085 120.321 120.300 0.178 0.000 2.442 352 Y HA 0.468 5.019 4.550 0.001 0.000 0.330 352 Y C -1.909 174.077 175.900 0.144 0.000 1.100 352 Y CA -0.470 57.742 58.100 0.186 0.000 1.034 352 Y CB 1.930 40.557 38.460 0.278 0.000 1.285 352 Y HN 0.646 nan 8.280 nan 0.000 0.440 353 Q N 5.016 124.536 119.800 -0.466 0.000 2.281 353 Q HA 0.292 4.633 4.340 0.001 0.000 0.263 353 Q C -2.461 173.338 176.000 -0.335 0.000 0.989 353 Q CA -0.712 54.925 55.803 -0.277 0.000 0.852 353 Q CB 1.869 30.549 28.738 -0.096 0.000 1.337 353 Q HN 0.739 nan 8.270 nan 0.000 0.418 354 D N 2.913 123.224 120.400 -0.148 0.000 2.492 354 D HA 0.340 4.981 4.640 0.001 0.000 0.248 354 D C -1.259 175.074 176.300 0.054 0.000 1.101 354 D CA -0.287 53.705 54.000 -0.012 0.000 0.840 354 D CB 1.155 42.026 40.800 0.118 0.000 1.209 354 D HN 0.520 nan 8.370 nan 0.000 0.524 355 N N 2.891 121.637 118.700 0.077 0.000 2.417 355 N HA 0.219 4.959 4.740 0.001 0.000 0.274 355 N C -1.208 174.371 175.510 0.116 0.000 0.987 355 N CA -0.452 52.646 53.050 0.079 0.000 0.912 355 N CB 1.858 40.386 38.487 0.068 0.000 1.177 355 N HN 0.355 nan 8.380 nan 0.000 0.490 356 D N 2.637 123.088 120.400 0.086 0.000 2.378 356 D HA 0.322 4.962 4.640 0.001 0.000 0.265 356 D C -2.580 173.738 176.300 0.030 0.000 1.229 356 D CA -1.487 52.564 54.000 0.085 0.000 0.914 356 D CB 1.835 42.682 40.800 0.078 0.000 1.140 356 D HN 0.226 nan 8.370 nan 0.000 0.516 357 P HA 0.559 nan 4.420 nan 0.000 0.304 357 P C -0.921 176.335 177.300 -0.074 0.000 1.310 357 P CA -0.737 62.292 63.100 -0.117 0.000 0.796 357 P CB 1.724 33.370 31.700 -0.089 0.000 1.297 358 K N -1.591 118.693 120.400 -0.194 0.000 2.542 358 K HA 0.493 4.814 4.320 0.001 0.000 0.259 358 K C 0.191 176.750 176.600 -0.068 0.000 0.932 358 K CA -0.132 56.117 56.287 -0.063 0.000 0.820 358 K CB 1.465 33.931 32.500 -0.057 0.000 1.345 358 K HN 0.818 nan 8.250 nan 0.000 0.432 359 G N 1.100 109.931 108.800 0.052 0.000 2.147 359 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 359 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 359 G C 0.032 175.068 174.900 0.227 0.000 1.005 359 G CA 0.437 45.607 45.100 0.118 0.000 0.713 359 G HN 0.423 nan 8.290 nan 0.000 0.515 360 S N 0.321 116.175 115.700 0.258 0.000 2.552 360 S HA 0.480 4.951 4.470 0.001 0.000 0.289 360 S C 1.162 175.906 174.600 0.241 0.000 1.304 360 S CA 0.505 58.901 58.200 0.326 0.000 1.063 360 S CB 0.887 64.277 63.200 0.316 0.000 0.848 360 S HN 1.247 nan 8.310 nan 0.000 0.499 361 G N 1.376 110.305 108.800 0.216 0.000 2.522 361 G HA2 0.546 4.506 3.960 0.001 0.000 0.304 361 G HA3 0.546 4.506 3.960 0.001 0.000 0.304 361 G C -1.561 173.587 174.900 0.414 0.000 1.210 361 G CA -0.487 44.768 45.100 0.259 0.000 0.960 361 G HN 0.648 nan 8.290 nan 0.000 0.497 362 W N 0.451 121.857 121.300 0.178 0.000 3.097 362 W HA 0.473 5.134 4.660 0.001 0.000 0.335 362 W C 0.318 176.948 176.519 0.186 0.000 1.114 362 W CA -0.695 56.778 57.345 0.213 0.000 1.231 362 W CB 0.865 30.430 29.460 0.175 0.000 1.388 362 W HN 1.446 nan 8.180 nan 0.000 0.485 363 S N 3.727 119.668 115.700 0.403 0.000 3.312 363 S HA 0.249 4.720 4.470 0.001 0.000 0.423 363 S C 0.256 175.003 174.600 0.245 0.000 0.840 363 S CA 1.794 60.193 58.200 0.331 0.000 1.357 363 S CB -1.771 61.250 63.200 -0.299 0.000 0.969 363 S HN 2.635 nan 8.310 nan 0.000 0.641 364 G N 2.262 111.248 108.800 0.310 0.000 2.728 364 G HA2 0.052 4.012 3.960 0.001 0.000 0.294 364 G HA3 0.052 4.012 3.960 0.001 0.000 0.294 364 G C 0.364 175.308 174.900 0.073 0.000 1.342 364 G CA 0.015 45.172 45.100 0.095 0.000 0.866 364 G HN 1.678 nan 8.290 nan 0.000 0.534 365 S N -0.623 115.064 115.700 -0.022 0.000 2.520 365 S HA 0.561 5.032 4.470 0.001 0.000 0.219 365 S C -0.045 174.836 174.600 0.467 0.000 1.028 365 S CA 1.231 59.545 58.200 0.190 0.000 0.921 365 S CB 0.097 63.434 63.200 0.228 0.000 0.844 365 S HN 1.464 nan 8.310 nan 0.000 0.495 366 F N -0.271 119.777 119.950 0.164 0.000 2.708 366 F HA 0.568 5.096 4.527 0.001 0.000 0.309 366 F C -3.418 172.385 175.800 0.005 0.000 1.120 366 F CA -2.376 55.703 58.000 0.132 0.000 0.978 366 F CB 0.367 39.346 39.000 -0.036 0.000 1.283 366 F HN -0.284 nan 8.300 nan 0.000 0.439 367 P HA 0.185 nan 4.420 nan 0.000 0.271 367 P C 0.574 177.841 177.300 -0.054 0.000 1.216 367 P CA -0.236 62.870 63.100 0.009 0.000 0.776 367 P CB 1.672 33.403 31.700 0.053 0.000 0.881 368 L N 1.263 122.280 121.223 -0.343 0.000 2.131 368 L HA -0.060 4.280 4.340 0.001 0.000 0.210 368 L C 0.610 177.097 176.870 -0.637 0.000 1.092 368 L CA 1.546 56.011 54.840 -0.626 0.000 0.759 368 L CB -0.357 40.997 42.059 -1.175 0.000 0.903 368 L HN 0.302 nan 8.230 nan 0.000 0.435 369 F N -0.731 119.173 119.950 -0.076 0.000 2.551 369 F HA 0.267 4.795 4.527 0.001 0.000 0.316 369 F C 0.215 175.913 175.800 -0.170 0.000 1.089 369 F CA -2.216 55.722 58.000 -0.104 0.000 0.915 369 F CB 0.923 39.841 39.000 -0.137 0.000 1.186 369 F HN -0.099 nan 8.300 nan 0.000 0.456 370 D N -0.495 119.919 120.400 0.023 0.000 2.414 370 D HA 0.124 4.765 4.640 0.001 0.000 0.259 370 D C 1.202 177.402 176.300 -0.167 0.000 1.269 370 D CA -0.115 53.812 54.000 -0.122 0.000 1.028 370 D CB 0.155 40.884 40.800 -0.120 0.000 1.093 370 D HN 0.416 nan 8.370 nan 0.000 0.545 371 S N -1.360 114.212 115.700 -0.213 0.000 2.440 371 S HA -0.255 4.216 4.470 0.001 0.000 0.238 371 S C 1.443 175.912 174.600 -0.218 0.000 1.010 371 S CA 1.070 59.093 58.200 -0.295 0.000 0.972 371 S CB -0.547 62.531 63.200 -0.203 0.000 0.774 371 S HN 0.596 nan 8.310 nan 0.000 0.501 372 Q N 0.124 119.833 119.800 -0.151 0.000 2.319 372 Q HA 0.325 4.665 4.340 0.001 0.000 0.209 372 Q C 1.089 176.995 176.000 -0.157 0.000 0.884 372 Q CA 0.249 55.973 55.803 -0.133 0.000 0.938 372 Q CB 0.525 29.211 28.738 -0.086 0.000 1.098 372 Q HN 0.772 nan 8.270 nan 0.000 0.517 373 G N 1.708 110.409 108.800 -0.164 0.000 2.136 373 G HA2 -0.196 3.765 3.960 0.001 0.000 0.242 373 G HA3 -0.196 3.765 3.960 0.001 0.000 0.242 373 G C -0.255 174.596 174.900 -0.082 0.000 0.989 373 G CA -0.190 44.758 45.100 -0.254 0.000 0.682 373 G HN 0.212 nan 8.290 nan 0.000 0.522 374 N N 0.281 119.002 118.700 0.035 0.000 2.524 374 N HA 0.316 5.056 4.740 0.001 0.000 0.283 374 N C 0.590 176.243 175.510 0.239 0.000 1.142 374 N CA -0.396 52.712 53.050 0.097 0.000 0.984 374 N CB 0.629 39.139 38.487 0.038 0.000 1.155 374 N HN 0.299 nan 8.380 nan 0.000 0.467 375 R N 1.518 122.158 120.500 0.235 0.000 2.458 375 R HA 0.049 4.390 4.340 0.001 0.000 0.303 375 R C -0.059 176.297 176.300 0.093 0.000 1.013 375 R CA -0.149 56.065 56.100 0.191 0.000 1.026 375 R CB 0.059 30.471 30.300 0.187 0.000 0.948 375 R HN 0.380 nan 8.270 nan 0.000 0.417 376 N N 1.999 120.725 118.700 0.043 0.000 2.458 376 N HA -0.052 4.689 4.740 0.001 0.000 0.258 376 N C -0.672 174.842 175.510 0.007 0.000 1.219 376 N CA 0.604 53.661 53.050 0.012 0.000 0.902 376 N CB 0.645 39.138 38.487 0.010 0.000 1.076 376 N HN 0.417 nan 8.380 nan 0.000 0.455 377 D N 1.755 122.144 120.400 -0.019 0.000 2.441 377 D HA 0.335 4.976 4.640 0.001 0.000 0.231 377 D C -0.876 175.349 176.300 -0.125 0.000 1.073 377 D CA -0.399 53.584 54.000 -0.028 0.000 0.850 377 D CB 0.697 41.513 40.800 0.025 0.000 1.062 377 D HN 0.225 nan 8.370 nan 0.000 0.524 378 V N 0.459 120.211 119.914 -0.270 0.000 2.962 378 V HA 0.667 4.787 4.120 0.001 0.000 0.313 378 V C 0.289 176.297 176.094 -0.142 0.000 1.099 378 V CA -0.863 61.231 62.300 -0.343 0.000 0.971 378 V CB 1.763 33.096 31.823 -0.817 0.000 1.028 378 V HN 0.329 nan 8.190 nan 0.000 0.430 379 S N 1.750 117.422 115.700 -0.045 0.000 2.573 379 S HA 0.266 4.737 4.470 0.001 0.000 0.277 379 S C 1.278 175.854 174.600 -0.039 0.000 1.346 379 S CA -0.227 57.960 58.200 -0.022 0.000 1.034 379 S CB 0.592 63.815 63.200 0.038 0.000 0.879 379 S HN 0.840 nan 8.310 nan 0.000 0.528 380 R N 1.206 121.539 120.500 -0.279 0.000 2.170 380 R HA -0.121 4.219 4.340 0.001 0.000 0.242 380 R C 2.085 178.456 176.300 0.120 0.000 1.145 380 R CA 1.631 57.476 56.100 -0.424 0.000 0.984 380 R CB -0.393 29.542 30.300 -0.609 0.000 0.869 380 R HN 0.738 nan 8.270 nan 0.000 0.455 381 S N -0.431 115.326 115.700 0.095 0.000 2.631 381 S HA 0.011 4.482 4.470 0.001 0.000 0.217 381 S C 0.302 174.934 174.600 0.052 0.000 0.958 381 S CA -0.521 57.712 58.200 0.056 0.000 0.920 381 S CB -0.202 63.011 63.200 0.021 0.000 0.776 381 S HN 0.175 nan 8.310 nan 0.000 0.517 382 F N 3.327 123.295 119.950 0.030 0.000 2.443 382 F HA 0.546 5.074 4.527 0.001 0.000 0.353 382 F C 0.102 175.964 175.800 0.102 0.000 1.101 382 F CA -0.541 57.494 58.000 0.058 0.000 1.226 382 F CB 0.646 39.651 39.000 0.008 0.000 1.140 382 F HN 0.138 nan 8.300 nan 0.000 0.557 383 N N 4.563 123.032 118.700 -0.386 0.000 2.609 383 N HA 0.106 4.846 4.740 0.001 0.000 0.268 383 N C 0.124 175.650 175.510 0.027 0.000 1.106 383 N CA -0.633 52.317 53.050 -0.166 0.000 0.823 383 N CB 0.270 38.454 38.487 -0.505 0.000 1.263 383 N HN 0.664 nan 8.380 nan 0.000 0.533 384 N N 1.536 120.396 118.700 0.266 0.000 2.348 384 N HA -0.076 4.664 4.740 0.001 0.000 0.185 384 N C 0.831 176.589 175.510 0.413 0.000 1.019 384 N CA 0.826 54.070 53.050 0.322 0.000 0.880 384 N CB -0.556 38.155 38.487 0.373 0.000 0.965 384 N HN 0.435 nan 8.380 nan 0.000 0.437 385 G N -0.492 108.561 108.800 0.422 0.000 2.491 385 G HA2 0.485 4.446 3.960 0.001 0.000 0.242 385 G HA3 0.485 4.446 3.960 0.001 0.000 0.242 385 G C -0.037 175.118 174.900 0.425 0.000 1.266 385 G CA -0.018 45.298 45.100 0.360 0.000 0.844 385 G HN 0.538 nan 8.290 nan 0.000 0.571 386 A N 1.702 124.574 122.820 0.087 0.000 2.466 386 A HA 0.242 4.563 4.320 0.001 0.000 0.238 386 A C 1.616 178.934 177.584 -0.445 0.000 1.074 386 A CA 0.216 52.025 52.037 -0.380 0.000 0.774 386 A CB 0.290 18.562 19.000 -1.214 0.000 1.015 386 A HN 0.807 nan 8.150 nan 0.000 0.498 387 K N 0.721 120.846 120.400 -0.458 0.000 2.113 387 K HA -0.154 4.167 4.320 0.001 0.000 0.208 387 K C 1.409 177.987 176.600 -0.037 0.000 1.047 387 K CA 2.279 58.450 56.287 -0.194 0.000 0.928 387 K CB -0.137 32.263 32.500 -0.166 0.000 0.716 387 K HN 0.973 nan 8.250 nan 0.000 0.446 388 W N -0.333 121.016 121.300 0.082 0.000 3.197 388 W HA 0.272 4.933 4.660 0.001 0.000 0.274 388 W C 0.269 176.872 176.519 0.139 0.000 1.297 388 W CA -0.553 56.852 57.345 0.099 0.000 1.662 388 W CB -0.508 29.013 29.460 0.100 0.000 1.106 388 W HN -0.178 nan 8.180 nan 0.000 0.663 389 S N 2.266 117.911 115.700 -0.092 0.000 2.552 389 S HA 0.192 4.663 4.470 0.001 0.000 0.289 389 S C -0.048 174.650 174.600 0.163 0.000 1.304 389 S CA 0.494 58.714 58.200 0.034 0.000 1.063 389 S CB 0.593 63.700 63.200 -0.155 0.000 0.848 389 S HN 0.237 nan 8.310 nan 0.000 0.499 390 S N 5.755 121.567 115.700 0.187 0.000 2.652 390 S HA 0.304 4.774 4.470 0.001 0.000 0.273 390 S C -1.400 173.314 174.600 0.191 0.000 1.172 390 S CA -0.623 57.694 58.200 0.195 0.000 1.009 390 S CB 0.486 63.810 63.200 0.207 0.000 1.094 390 S HN 0.835 nan 8.310 nan 0.000 0.471 391 W N 5.852 127.202 121.300 0.084 0.000 1.714 391 W HA 0.337 4.998 4.660 0.001 0.000 0.363 391 W C 0.258 176.844 176.519 0.112 0.000 0.724 391 W CA -0.745 56.638 57.345 0.064 0.000 1.804 391 W CB -0.124 29.344 29.460 0.014 0.000 1.900 391 W HN 0.749 nan 8.180 nan 0.000 0.296 392 E N 2.381 122.837 120.200 0.427 0.000 2.465 392 E HA -0.076 4.274 4.350 0.001 0.000 0.260 392 E C -0.662 176.228 176.600 0.483 0.000 0.980 392 E CA 0.966 57.596 56.400 0.383 0.000 0.927 392 E CB 0.727 30.632 29.700 0.342 0.000 0.934 392 E HN 0.436 nan 8.360 nan 0.000 0.459 393 Q N 3.320 123.332 119.800 0.353 0.000 2.289 393 Q HA 0.390 4.731 4.340 0.001 0.000 0.270 393 Q C -1.265 174.848 176.000 0.189 0.000 1.038 393 Q CA -0.828 55.134 55.803 0.265 0.000 0.812 393 Q CB 1.805 30.625 28.738 0.137 0.000 1.300 393 Q HN 0.483 nan 8.270 nan 0.000 0.427 394 Y N -1.652 118.658 120.300 0.015 0.000 2.512 394 Y HA 0.877 5.427 4.550 0.001 0.000 0.348 394 Y C -0.651 175.170 175.900 -0.131 0.000 0.990 394 Y CA -1.016 57.022 58.100 -0.103 0.000 1.033 394 Y CB 1.924 40.310 38.460 -0.123 0.000 1.259 394 Y HN 0.586 nan 8.280 nan 0.000 0.461 395 T N 0.505 114.990 114.554 -0.115 0.000 2.906 395 T HA 0.875 5.226 4.350 0.001 0.000 0.295 395 T C -1.048 173.579 174.700 -0.121 0.000 1.075 395 T CA -0.993 61.011 62.100 -0.160 0.000 1.005 395 T CB 2.375 71.126 68.868 -0.196 0.000 1.136 395 T HN 1.250 nan 8.240 nan 0.000 0.498 396 R N -0.165 120.299 120.500 -0.060 0.000 2.633 396 R HA 0.612 4.952 4.340 0.001 0.000 0.255 396 R C -1.933 174.399 176.300 0.054 0.000 1.106 396 R CA -0.624 55.501 56.100 0.042 0.000 0.959 396 R CB 1.130 31.527 30.300 0.162 0.000 1.259 396 R HN 0.716 nan 8.270 nan 0.000 0.453 397 T N 2.402 117.034 114.554 0.130 0.000 2.881 397 T HA 0.532 4.883 4.350 0.001 0.000 0.290 397 T C -1.005 173.871 174.700 0.293 0.000 1.000 397 T CA -0.751 61.460 62.100 0.186 0.000 0.978 397 T CB 1.863 70.856 68.868 0.208 0.000 0.997 397 T HN 0.351 nan 8.240 nan 0.000 0.443 398 V N 4.466 124.563 119.914 0.305 0.000 2.495 398 V HA 0.847 4.968 4.120 0.001 0.000 0.298 398 V C -0.788 175.503 176.094 0.330 0.000 1.031 398 V CA -0.865 61.578 62.300 0.239 0.000 0.871 398 V CB 0.849 32.795 31.823 0.204 0.000 0.988 398 V HN 0.913 nan 8.190 nan 0.000 0.432 399 F N 2.274 122.316 119.950 0.153 0.000 2.668 399 F HA 0.991 5.518 4.527 0.001 0.000 0.309 399 F C -0.489 175.389 175.800 0.130 0.000 1.117 399 F CA -1.116 56.972 58.000 0.146 0.000 0.951 399 F CB 1.517 40.608 39.000 0.152 0.000 1.323 399 F HN 0.647 nan 8.300 nan 0.000 0.451 400 A N 2.011 125.036 122.820 0.341 0.000 2.454 400 A HA 0.850 5.171 4.320 0.001 0.000 0.302 400 A C -1.746 176.008 177.584 0.284 0.000 1.079 400 A CA -0.874 51.301 52.037 0.229 0.000 0.731 400 A CB 1.735 20.806 19.000 0.119 0.000 1.299 400 A HN 0.890 nan 8.150 nan 0.000 0.413 401 N N -0.850 117.988 118.700 0.231 0.000 2.277 401 N HA 0.694 5.435 4.740 0.001 0.000 0.286 401 N C -1.790 173.806 175.510 0.144 0.000 1.140 401 N CA -0.359 52.813 53.050 0.203 0.000 0.799 401 N CB 2.385 41.016 38.487 0.240 0.000 1.596 401 N HN 0.579 nan 8.380 nan 0.000 0.473 402 L N 1.454 122.744 121.223 0.111 0.000 2.611 402 L HA 0.380 4.720 4.340 0.001 0.000 0.263 402 L C -1.270 175.644 176.870 0.074 0.000 0.969 402 L CA -0.325 54.567 54.840 0.087 0.000 0.894 402 L CB 1.089 43.184 42.059 0.061 0.000 1.229 402 L HN 0.632 nan 8.230 nan 0.000 0.416 403 E N 2.832 123.080 120.200 0.080 0.000 2.221 403 E HA 0.517 4.867 4.350 0.001 0.000 0.268 403 E C -1.516 175.141 176.600 0.095 0.000 0.933 403 E CA -0.793 55.648 56.400 0.069 0.000 0.809 403 E CB 2.224 31.955 29.700 0.050 0.000 1.190 403 E HN 0.668 nan 8.360 nan 0.000 0.406 404 H N 1.432 120.469 119.070 -0.055 0.000 2.667 404 H HA 0.367 4.924 4.556 0.001 0.000 0.353 404 H C -1.361 173.866 175.328 -0.169 0.000 1.072 404 H CA -0.743 55.198 56.048 -0.179 0.000 1.214 404 H CB 1.248 30.795 29.762 -0.358 0.000 1.600 404 H HN 0.419 nan 8.280 nan 0.000 0.527 405 N N 3.824 122.177 118.700 -0.578 0.000 2.472 405 N HA 0.165 4.905 4.740 0.001 0.000 0.277 405 N C -1.052 174.057 175.510 -0.668 0.000 1.081 405 N CA -0.042 52.780 53.050 -0.380 0.000 0.973 405 N CB 0.332 38.700 38.487 -0.198 0.000 1.105 405 N HN 0.336 nan 8.380 nan 0.000 0.470 406 F N 0.576 120.463 119.950 -0.105 0.000 2.404 406 F HA 0.406 4.934 4.527 0.001 0.000 0.339 406 F C 0.965 176.780 175.800 0.024 0.000 1.105 406 F CA -1.125 56.876 58.000 0.000 0.000 1.087 406 F CB 0.964 40.036 39.000 0.119 0.000 1.143 406 F HN 0.420 nan 8.300 nan 0.000 0.491 407 A N 3.196 126.115 122.820 0.165 0.000 2.770 407 A HA 0.211 4.532 4.320 0.001 0.000 0.292 407 A C 0.738 178.416 177.584 0.157 0.000 1.604 407 A CA 0.594 52.703 52.037 0.120 0.000 1.271 407 A CB -0.710 18.342 19.000 0.086 0.000 1.075 407 A HN 0.870 nan 8.150 nan 0.000 0.573 408 N N -0.036 118.770 118.700 0.177 0.000 2.450 408 N HA -0.009 4.732 4.740 0.001 0.000 0.332 408 N C 0.914 176.586 175.510 0.270 0.000 0.928 408 N CA 1.549 54.731 53.050 0.219 0.000 1.332 408 N CB -0.573 38.067 38.487 0.254 0.000 2.342 408 N HN 1.252 nan 8.380 nan 0.000 1.119 409 G N -0.377 108.567 108.800 0.239 0.000 2.234 409 G HA2 -0.246 3.714 3.960 0.001 0.000 0.235 409 G HA3 -0.246 3.714 3.960 0.001 0.000 0.235 409 G C -0.263 174.761 174.900 0.208 0.000 0.997 409 G CA 0.179 45.392 45.100 0.188 0.000 0.623 409 G HN 0.156 nan 8.290 nan 0.000 0.514 410 W N 0.498 121.868 121.300 0.116 0.000 2.261 410 W HA 0.611 5.272 4.660 0.001 0.000 0.323 410 W C 0.506 177.166 176.519 0.235 0.000 1.243 410 W CA 0.207 57.628 57.345 0.125 0.000 1.210 410 W CB 1.418 30.898 29.460 0.033 0.000 1.149 410 W HN 0.535 nan 8.180 nan 0.000 0.562 411 V N 3.279 123.413 119.914 0.367 0.000 2.769 411 V HA 1.002 5.122 4.120 0.001 0.000 0.312 411 V C -0.422 175.862 176.094 0.317 0.000 1.061 411 V CA -0.764 61.732 62.300 0.326 0.000 0.931 411 V CB 1.618 33.530 31.823 0.148 0.000 1.010 411 V HN 0.624 nan 8.190 nan 0.000 0.433 412 G N 3.619 112.605 108.800 0.311 0.000 2.591 412 G HA2 0.640 4.601 3.960 0.001 0.000 0.306 412 G HA3 0.640 4.601 3.960 0.001 0.000 0.306 412 G C -1.609 173.266 174.900 -0.040 0.000 1.334 412 G CA -0.856 44.331 45.100 0.145 0.000 0.981 412 G HN 0.978 nan 8.290 nan 0.000 0.491 413 K N 1.399 121.591 120.400 -0.347 0.000 2.443 413 K HA 0.640 4.961 4.320 0.001 0.000 0.252 413 K C -1.317 175.191 176.600 -0.154 0.000 0.933 413 K CA -0.606 55.520 56.287 -0.270 0.000 0.792 413 K CB 2.578 34.852 32.500 -0.378 0.000 1.185 413 K HN 0.289 nan 8.250 nan 0.000 0.425 414 V N 4.498 124.413 119.914 0.002 0.000 2.417 414 V HA 0.327 4.447 4.120 0.001 0.000 0.291 414 V C -0.785 175.382 176.094 0.122 0.000 1.024 414 V CA -0.678 61.664 62.300 0.071 0.000 0.861 414 V CB 1.575 33.441 31.823 0.071 0.000 0.985 414 V HN 0.766 nan 8.190 nan 0.000 0.436 415 Q N 5.019 124.915 119.800 0.159 0.000 2.333 415 Q HA 0.605 4.945 4.340 0.001 0.000 0.268 415 Q C -1.339 174.774 176.000 0.189 0.000 1.007 415 Q CA -0.577 55.339 55.803 0.188 0.000 0.810 415 Q CB 2.826 31.680 28.738 0.194 0.000 1.264 415 Q HN 0.582 nan 8.270 nan 0.000 0.452 416 L N 3.048 124.396 121.223 0.209 0.000 2.280 416 L HA 0.388 4.729 4.340 0.001 0.000 0.287 416 L C -0.930 176.093 176.870 0.255 0.000 1.023 416 L CA -0.401 54.561 54.840 0.203 0.000 0.819 416 L CB 1.214 43.370 42.059 0.163 0.000 1.212 416 L HN 0.502 nan 8.230 nan 0.000 0.420 417 D N 1.016 121.561 120.400 0.241 0.000 2.256 417 D HA 0.267 4.907 4.640 0.001 0.000 0.246 417 D C -0.758 175.720 176.300 0.297 0.000 1.042 417 D CA -0.159 54.004 54.000 0.271 0.000 0.841 417 D CB 1.401 42.323 40.800 0.204 0.000 1.223 417 D HN 0.350 nan 8.370 nan 0.000 0.470 418 H N 2.583 121.761 119.070 0.180 0.000 2.685 418 H HA 0.306 4.863 4.556 0.001 0.000 0.307 418 H C -0.898 174.509 175.328 0.132 0.000 1.017 418 H CA -0.557 55.576 56.048 0.142 0.000 1.237 418 H CB 0.784 30.621 29.762 0.124 0.000 1.409 418 H HN 0.164 nan 8.280 nan 0.000 0.488 419 K N 5.671 126.007 120.400 -0.106 0.000 2.203 419 K HA 0.476 4.796 4.320 0.001 0.000 0.251 419 K C -0.997 175.482 176.600 -0.202 0.000 0.944 419 K CA -0.867 55.347 56.287 -0.122 0.000 0.829 419 K CB 1.577 34.048 32.500 -0.049 0.000 1.125 419 K HN 0.575 nan 8.250 nan 0.000 0.430 420 I N 2.760 123.233 120.570 -0.161 0.000 2.533 420 I HA 0.225 4.395 4.170 0.001 0.000 0.290 420 I C -1.402 174.617 176.117 -0.163 0.000 1.056 420 I CA -0.918 60.298 61.300 -0.140 0.000 1.057 420 I CB 2.164 40.118 38.000 -0.077 0.000 1.240 420 I HN 0.607 nan 8.210 nan 0.000 0.423 421 N N 3.849 122.430 118.700 -0.198 0.000 2.504 421 N HA 0.590 5.331 4.740 0.001 0.000 0.280 421 N C -0.498 174.782 175.510 -0.383 0.000 1.052 421 N CA -0.336 52.553 53.050 -0.268 0.000 0.887 421 N CB 2.230 40.606 38.487 -0.185 0.000 1.323 421 N HN 0.720 nan 8.380 nan 0.000 0.509 422 G N 0.633 108.948 108.800 -0.809 0.000 2.511 422 G HA2 0.657 4.618 3.960 0.001 0.000 0.318 422 G HA3 0.657 4.618 3.960 0.001 0.000 0.318 422 G C -1.488 173.067 174.900 -0.575 0.000 1.210 422 G CA -0.517 43.961 45.100 -1.036 0.000 0.969 422 G HN 0.445 nan 8.290 nan 0.000 0.484 423 Y N -1.385 118.833 120.300 -0.136 0.000 2.609 423 Y HA 0.771 5.322 4.550 0.001 0.000 0.342 423 Y C -0.737 175.323 175.900 0.268 0.000 1.058 423 Y CA -1.555 56.635 58.100 0.150 0.000 1.055 423 Y CB 2.138 40.757 38.460 0.265 0.000 1.292 423 Y HN 0.634 nan 8.280 nan 0.000 0.476 424 H N 1.626 120.864 119.070 0.280 0.000 2.895 424 H HA 0.620 5.177 4.556 0.001 0.000 0.282 424 H C -1.945 173.366 175.328 -0.027 0.000 1.338 424 H CA -0.376 55.732 56.048 0.100 0.000 1.595 424 H CB 0.893 30.713 29.762 0.098 0.000 1.771 424 H HN 1.088 nan 8.280 nan 0.000 0.573 425 A N 6.362 128.983 122.820 -0.332 0.000 2.786 425 A HA 0.353 4.674 4.320 0.001 0.000 0.346 425 A C -2.697 174.525 177.584 -0.603 0.000 1.265 425 A CA -1.553 50.158 52.037 -0.543 0.000 0.858 425 A CB 0.330 18.613 19.000 -1.196 0.000 1.118 425 A HN 0.383 nan 8.150 nan 0.000 0.482 426 P HA 0.222 nan 4.420 nan 0.000 0.268 426 P C -0.455 176.834 177.300 -0.018 0.000 1.485 426 P CA 0.348 63.115 63.100 -0.554 0.000 1.102 426 P CB 0.271 31.753 31.700 -0.364 0.000 1.501 427 L N 2.462 123.594 121.223 -0.152 0.000 2.379 427 L HA 0.810 5.151 4.340 0.001 0.000 0.269 427 L C 1.071 178.165 176.870 0.373 0.000 1.084 427 L CA -0.330 54.482 54.840 -0.046 0.000 0.802 427 L CB 1.261 42.906 42.059 -0.689 0.000 1.175 427 L HN 0.336 nan 8.230 nan 0.000 0.448 428 G N 0.871 109.820 108.800 0.249 0.000 2.659 428 G HA2 0.684 4.645 3.960 0.001 0.000 0.291 428 G HA3 0.684 4.645 3.960 0.001 0.000 0.291 428 G C -1.719 173.292 174.900 0.186 0.000 1.379 428 G CA -0.017 45.255 45.100 0.286 0.000 1.254 428 G HN 0.835 nan 8.290 nan 0.000 0.590 429 A N 2.030 125.032 122.820 0.304 0.000 2.609 429 A HA 0.790 5.110 4.320 0.001 0.000 0.291 429 A C -0.742 176.901 177.584 0.098 0.000 1.096 429 A CA -0.764 51.410 52.037 0.227 0.000 0.684 429 A CB 0.999 20.189 19.000 0.318 0.000 1.282 429 A HN 0.816 nan 8.150 nan 0.000 0.412 430 I N 2.200 122.757 120.570 -0.022 0.000 2.436 430 I HA 0.369 4.540 4.170 0.001 0.000 0.289 430 I C 0.276 176.449 176.117 0.094 0.000 1.083 430 I CA 0.464 61.723 61.300 -0.068 0.000 1.372 430 I CB 0.092 37.989 38.000 -0.172 0.000 1.408 430 I HN 0.784 nan 8.210 nan 0.000 0.516 431 M N 4.881 124.556 119.600 0.125 0.000 2.575 431 M HA 0.880 5.361 4.480 0.001 0.000 0.284 431 M C -0.168 176.249 176.300 0.195 0.000 1.253 431 M CA -0.438 54.921 55.300 0.099 0.000 0.861 431 M CB 2.470 35.008 32.600 -0.103 0.000 1.733 431 M HN 0.657 nan 8.290 nan 0.000 0.462 432 G N 1.062 109.875 108.800 0.022 0.000 2.627 432 G HA2 -0.100 3.861 3.960 0.001 0.000 0.214 432 G HA3 -0.100 3.861 3.960 0.001 0.000 0.214 432 G C -1.610 173.095 174.900 -0.325 0.000 1.331 432 G CA -0.433 44.583 45.100 -0.140 0.000 0.891 432 G HN 0.911 nan 8.290 nan 0.000 0.539 433 D N 0.917 120.920 120.400 -0.661 0.000 2.402 433 D HA 0.452 5.092 4.640 0.001 0.000 0.235 433 D C -0.347 175.389 176.300 -0.940 0.000 1.226 433 D CA 0.785 54.426 54.000 -0.599 0.000 0.918 433 D CB -0.005 40.494 40.800 -0.501 0.000 1.043 433 D HN 0.393 nan 8.370 nan 0.000 0.506 434 W N 2.077 123.265 121.300 -0.188 0.000 3.083 434 W HA 0.295 4.956 4.660 0.001 0.000 0.333 434 W C -2.157 173.956 176.519 -0.676 0.000 1.217 434 W CA -2.004 55.142 57.345 -0.332 0.000 1.170 434 W CB 1.108 30.407 29.460 -0.268 0.000 1.437 434 W HN 0.062 nan 8.180 nan 0.000 0.557 435 P HA 0.259 nan 4.420 nan 0.000 0.274 435 P C -0.376 176.969 177.300 0.076 0.000 1.256 435 P CA -0.082 62.910 63.100 -0.180 0.000 0.795 435 P CB 0.511 32.059 31.700 -0.253 0.000 1.038 436 A N 1.946 124.915 122.820 0.249 0.000 2.310 436 A HA 0.343 4.664 4.320 0.001 0.000 0.260 436 A C -1.351 176.274 177.584 0.068 0.000 1.112 436 A CA -1.020 51.121 52.037 0.173 0.000 0.804 436 A CB -1.376 17.773 19.000 0.248 0.000 1.081 436 A HN 0.365 nan 8.150 nan 0.000 0.499 437 P HA -0.125 nan 4.420 nan 0.000 0.218 437 P C 0.369 177.692 177.300 0.038 0.000 1.148 437 P CA 1.542 64.658 63.100 0.027 0.000 0.822 437 P CB -0.067 31.643 31.700 0.018 0.000 0.784 438 D N -2.122 118.306 120.400 0.047 0.000 2.336 438 D HA -0.040 4.601 4.640 0.001 0.000 0.229 438 D C 0.494 176.831 176.300 0.062 0.000 1.061 438 D CA -0.074 53.955 54.000 0.048 0.000 0.875 438 D CB -1.204 39.620 40.800 0.041 0.000 0.904 438 D HN 0.066 nan 8.370 nan 0.000 0.525 439 N N -0.630 118.115 118.700 0.075 0.000 2.948 439 N HA -0.211 4.530 4.740 0.001 0.000 0.239 439 N C -0.687 174.896 175.510 0.120 0.000 0.954 439 N CA 1.023 54.140 53.050 0.113 0.000 0.941 439 N CB -1.507 37.057 38.487 0.129 0.000 1.101 439 N HN 0.384 nan 8.380 nan 0.000 0.579 440 S N -0.947 114.792 115.700 0.065 0.000 2.669 440 S HA 0.879 5.349 4.470 0.001 0.000 0.270 440 S C 0.292 174.836 174.600 -0.094 0.000 1.225 440 S CA -0.023 58.176 58.200 -0.001 0.000 0.991 440 S CB 2.270 65.447 63.200 -0.039 0.000 0.987 440 S HN 0.865 nan 8.310 nan 0.000 0.552 441 A N 0.510 123.144 122.820 -0.311 0.000 2.610 441 A HA 0.731 5.052 4.320 0.001 0.000 0.291 441 A C -1.380 175.619 177.584 -0.976 0.000 1.086 441 A CA -1.121 50.449 52.037 -0.778 0.000 0.677 441 A CB 1.144 19.944 19.000 -0.333 0.000 1.278 441 A HN 0.783 nan 8.150 nan 0.000 0.414 442 K N 0.437 119.918 120.400 -1.532 0.000 2.267 442 K HA 0.688 5.009 4.320 0.001 0.000 0.246 442 K C -1.155 175.188 176.600 -0.429 0.000 0.954 442 K CA -0.826 54.991 56.287 -0.784 0.000 0.824 442 K CB 1.791 33.941 32.500 -0.583 0.000 1.167 442 K HN 0.425 nan 8.250 nan 0.000 0.431 443 I N 1.807 122.274 120.570 -0.171 0.000 2.498 443 I HA 0.288 4.459 4.170 0.001 0.000 0.301 443 I C -0.184 176.005 176.117 0.121 0.000 0.984 443 I CA -1.100 60.201 61.300 0.002 0.000 1.204 443 I CB 1.713 39.798 38.000 0.142 0.000 1.362 443 I HN 0.274 nan 8.210 nan 0.000 0.471 444 V N 4.681 124.699 119.914 0.173 0.000 2.417 444 V HA 0.765 4.885 4.120 0.001 0.000 0.291 444 V C 0.067 176.421 176.094 0.434 0.000 1.024 444 V CA -0.625 61.813 62.300 0.229 0.000 0.861 444 V CB 1.484 33.348 31.823 0.069 0.000 0.985 444 V HN 0.879 nan 8.190 nan 0.000 0.436 445 A N 5.309 128.423 122.820 0.489 0.000 2.356 445 A HA 0.897 5.217 4.320 0.001 0.000 0.310 445 A C -0.751 177.225 177.584 0.653 0.000 1.075 445 A CA -0.547 51.869 52.037 0.632 0.000 0.746 445 A CB 1.477 20.802 19.000 0.541 0.000 1.221 445 A HN 0.773 nan 8.150 nan 0.000 0.443 446 Q N 0.952 121.135 119.800 0.639 0.000 2.426 446 Q HA 0.395 4.735 4.340 0.001 0.000 0.278 446 Q C -1.467 174.354 176.000 -0.297 0.000 1.007 446 Q CA -0.801 55.184 55.803 0.303 0.000 0.850 446 Q CB 3.013 31.957 28.738 0.343 0.000 1.427 446 Q HN 0.653 nan 8.270 nan 0.000 0.391 447 K N 1.978 121.937 120.400 -0.734 0.000 2.345 447 K HA 0.485 4.806 4.320 0.001 0.000 0.255 447 K C -1.828 174.232 176.600 -0.901 0.000 0.934 447 K CA -0.462 55.145 56.287 -1.133 0.000 0.801 447 K CB 1.099 32.436 32.500 -1.938 0.000 1.137 447 K HN 0.575 nan 8.250 nan 0.000 0.424 448 Y N 1.382 121.436 120.300 -0.411 0.000 2.326 448 Y HA 0.210 4.761 4.550 0.001 0.000 0.329 448 Y C 0.170 176.124 175.900 0.090 0.000 0.973 448 Y CA -0.657 57.404 58.100 -0.064 0.000 1.162 448 Y CB 2.079 40.449 38.460 -0.149 0.000 1.147 448 Y HN 0.507 nan 8.280 nan 0.000 0.456 449 T N 0.150 114.867 114.554 0.272 0.000 2.876 449 T HA 0.970 5.320 4.350 0.001 0.000 0.289 449 T C -0.134 174.464 174.700 -0.169 0.000 1.014 449 T CA -0.649 61.458 62.100 0.012 0.000 0.986 449 T CB 1.958 70.762 68.868 -0.105 0.000 1.021 449 T HN 0.968 nan 8.240 nan 0.000 0.458 450 G N 0.900 109.189 108.800 -0.852 0.000 2.451 450 G HA2 0.562 4.522 3.960 0.001 0.000 0.292 450 G HA3 0.562 4.522 3.960 0.001 0.000 0.292 450 G C -2.118 172.428 174.900 -0.590 0.000 1.427 450 G CA -0.815 43.927 45.100 -0.597 0.000 0.792 450 G HN 0.894 nan 8.290 nan 0.000 0.498 451 E N -1.335 118.789 120.200 -0.127 0.000 2.413 451 E HA 0.721 5.072 4.350 0.001 0.000 0.277 451 E C -1.523 175.137 176.600 0.100 0.000 0.958 451 E CA -0.704 55.653 56.400 -0.071 0.000 0.779 451 E CB 2.529 32.228 29.700 -0.002 0.000 1.278 451 E HN 0.415 nan 8.360 nan 0.000 0.456 452 T N 2.554 117.120 114.554 0.020 0.000 3.170 452 T HA 0.334 4.684 4.350 0.001 0.000 0.315 452 T C -1.206 173.508 174.700 0.024 0.000 0.967 452 T CA -0.812 61.337 62.100 0.083 0.000 1.024 452 T CB 0.903 69.770 68.868 -0.001 0.000 1.018 452 T HN 0.232 nan 8.240 nan 0.000 0.449 453 K N 2.040 122.478 120.400 0.063 0.000 2.182 453 K HA 0.758 5.079 4.320 0.001 0.000 0.262 453 K C -0.576 176.083 176.600 0.098 0.000 0.957 453 K CA -0.869 55.434 56.287 0.026 0.000 0.842 453 K CB 1.573 34.109 32.500 0.059 0.000 1.099 453 K HN 0.502 nan 8.250 nan 0.000 0.438 454 S N 2.027 117.766 115.700 0.065 0.000 2.594 454 S HA 0.324 4.794 4.470 0.001 0.000 0.296 454 S C -0.918 173.800 174.600 0.197 0.000 1.124 454 S CA -1.083 57.203 58.200 0.144 0.000 1.011 454 S CB 1.072 64.337 63.200 0.109 0.000 1.016 454 S HN 0.551 nan 8.310 nan 0.000 0.485 455 N N 1.093 119.955 118.700 0.270 0.000 2.408 455 N HA 0.567 5.307 4.740 0.001 0.000 0.280 455 N C -1.086 174.593 175.510 0.281 0.000 1.002 455 N CA -0.430 52.789 53.050 0.282 0.000 0.907 455 N CB 1.405 40.045 38.487 0.255 0.000 1.161 455 N HN 0.441 nan 8.380 nan 0.000 0.488 456 S N 1.731 117.572 115.700 0.235 0.000 2.500 456 S HA 0.498 4.969 4.470 0.001 0.000 0.301 456 S C -1.249 173.474 174.600 0.205 0.000 1.092 456 S CA -0.636 57.692 58.200 0.213 0.000 1.030 456 S CB 1.385 64.688 63.200 0.171 0.000 1.031 456 S HN 0.336 nan 8.310 nan 0.000 0.483 457 L N 2.885 124.232 121.223 0.205 0.000 2.341 457 L HA 0.696 5.037 4.340 0.001 0.000 0.278 457 L C -1.226 175.754 176.870 0.184 0.000 1.005 457 L CA -0.106 54.846 54.840 0.186 0.000 0.818 457 L CB 1.453 43.623 42.059 0.185 0.000 1.259 457 L HN 0.712 nan 8.230 nan 0.000 0.418 458 D N 4.890 125.405 120.400 0.192 0.000 2.763 458 D HA 0.297 4.938 4.640 0.001 0.000 0.235 458 D C -1.372 175.076 176.300 0.247 0.000 1.334 458 D CA -0.269 53.869 54.000 0.231 0.000 0.950 458 D CB 1.674 42.625 40.800 0.253 0.000 1.433 458 D HN 0.534 nan 8.370 nan 0.000 0.580 459 I N 2.707 123.411 120.570 0.223 0.000 2.648 459 I HA 0.801 4.972 4.170 0.001 0.000 0.304 459 I C -1.700 174.575 176.117 0.263 0.000 1.009 459 I CA -0.345 61.058 61.300 0.171 0.000 1.114 459 I CB 1.668 39.726 38.000 0.098 0.000 1.293 459 I HN 0.322 nan 8.210 nan 0.000 0.449 460 Y N 3.626 123.984 120.300 0.098 0.000 2.624 460 Y HA 0.774 5.324 4.550 0.001 0.000 0.334 460 Y C -2.289 173.683 175.900 0.121 0.000 1.155 460 Y CA -1.668 56.471 58.100 0.065 0.000 1.046 460 Y CB 0.976 39.501 38.460 0.108 0.000 1.316 460 Y HN 0.593 nan 8.280 nan 0.000 0.457 461 L N 2.598 123.991 121.223 0.284 0.000 2.381 461 L HA 0.670 5.011 4.340 0.001 0.000 0.274 461 L C -0.517 176.558 176.870 0.341 0.000 0.988 461 L CA -0.838 54.194 54.840 0.320 0.000 0.824 461 L CB 2.292 44.563 42.059 0.354 0.000 1.263 461 L HN 0.901 nan 8.230 nan 0.000 0.410 462 T N 1.723 116.392 114.554 0.192 0.000 2.807 462 T HA 0.857 5.208 4.350 0.001 0.000 0.279 462 T C -0.189 174.101 174.700 -0.683 0.000 0.993 462 T CA -0.196 61.796 62.100 -0.180 0.000 0.970 462 T CB 1.448 70.313 68.868 -0.005 0.000 0.950 462 T HN 0.856 nan 8.240 nan 0.000 0.441 463 G N 4.432 112.268 108.800 -1.607 0.000 2.606 463 G HA2 0.726 4.687 3.960 0.001 0.000 0.300 463 G HA3 0.726 4.687 3.960 0.001 0.000 0.300 463 G C -3.413 170.811 174.900 -1.128 0.000 1.360 463 G CA -1.052 42.898 45.100 -1.917 0.000 0.783 463 G HN 0.596 nan 8.290 nan 0.000 0.484 464 P HA 0.773 nan 4.420 nan 0.000 0.283 464 P C -1.309 176.275 177.300 0.474 0.000 1.271 464 P CA -0.696 62.429 63.100 0.043 0.000 0.841 464 P CB 1.270 32.989 31.700 0.032 0.000 1.122 465 F N -2.444 117.580 119.950 0.123 0.000 2.725 465 F HA 0.475 5.003 4.527 0.001 0.000 0.311 465 F C -1.839 174.075 175.800 0.190 0.000 1.121 465 F CA -1.318 56.802 58.000 0.200 0.000 0.978 465 F CB 0.586 39.744 39.000 0.264 0.000 1.274 465 F HN 0.378 nan 8.300 nan 0.000 0.440 466 Q N 1.886 121.733 119.800 0.077 0.000 2.256 466 Q HA 0.623 4.963 4.340 0.001 0.000 0.257 466 Q C -1.373 174.716 176.000 0.148 0.000 0.936 466 Q CA -0.568 55.213 55.803 -0.036 0.000 0.903 466 Q CB 2.558 31.281 28.738 -0.025 0.000 1.263 466 Q HN 0.797 nan 8.270 nan 0.000 0.440 467 F N 2.322 122.328 119.950 0.093 0.000 2.531 467 F HA 0.399 4.927 4.527 0.001 0.000 0.273 467 F C -0.062 175.811 175.800 0.121 0.000 0.960 467 F CA -0.120 57.947 58.000 0.113 0.000 1.207 467 F CB 1.097 40.104 39.000 0.012 0.000 1.012 467 F HN 0.522 nan 8.300 nan 0.000 0.738 468 L N 0.536 121.889 121.223 0.216 0.000 2.732 468 L HA 0.422 4.763 4.340 0.001 0.000 0.246 468 L C 0.727 177.627 176.870 0.050 0.000 1.407 468 L CA 0.037 54.907 54.840 0.049 0.000 0.861 468 L CB 0.800 42.911 42.059 0.087 0.000 1.161 468 L HN 0.363 nan 8.230 nan 0.000 0.510 469 G N 0.874 109.681 108.800 0.012 0.000 2.168 469 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 469 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 469 G C 0.230 175.105 174.900 -0.042 0.000 0.997 469 G CA 0.164 45.257 45.100 -0.012 0.000 0.708 469 G HN 0.494 nan 8.290 nan 0.000 0.520 470 R N -0.805 119.638 120.500 -0.095 0.000 2.725 470 R HA 0.563 4.903 4.340 0.001 0.000 0.277 470 R C -1.086 174.856 176.300 -0.596 0.000 0.987 470 R CA -1.113 54.844 56.100 -0.238 0.000 0.901 470 R CB 1.454 31.660 30.300 -0.157 0.000 1.207 470 R HN 0.126 nan 8.270 nan 0.000 0.463 471 E N 1.411 121.321 120.200 -0.483 0.000 2.289 471 E HA 0.201 4.552 4.350 0.001 0.000 0.278 471 E C -0.999 175.215 176.600 -0.644 0.000 1.032 471 E CA 0.098 56.200 56.400 -0.498 0.000 0.854 471 E CB 0.607 30.187 29.700 -0.200 0.000 1.046 471 E HN 0.404 nan 8.360 nan 0.000 0.409 472 H N 1.023 119.943 119.070 -0.251 0.000 2.824 472 H HA 0.530 5.086 4.556 0.001 0.000 0.345 472 H C -0.456 174.828 175.328 -0.074 0.000 1.252 472 H CA -1.076 54.801 56.048 -0.285 0.000 1.246 472 H CB 1.301 30.658 29.762 -0.674 0.000 1.908 472 H HN 0.453 nan 8.280 nan 0.000 0.601 473 E N 0.619 120.863 120.200 0.074 0.000 2.336 473 E HA 0.602 4.952 4.350 0.001 0.000 0.267 473 E C -1.523 175.078 176.600 0.001 0.000 0.906 473 E CA -1.136 55.286 56.400 0.037 0.000 0.781 473 E CB 2.791 32.437 29.700 -0.089 0.000 1.261 473 E HN 0.224 nan 8.360 nan 0.000 0.436 474 L N 0.766 121.893 121.223 -0.160 0.000 2.393 474 L HA 0.537 4.877 4.340 0.001 0.000 0.260 474 L C -1.757 175.012 176.870 -0.168 0.000 1.002 474 L CA -0.805 53.932 54.840 -0.172 0.000 0.818 474 L CB 2.460 44.362 42.059 -0.262 0.000 1.369 474 L HN 0.558 nan 8.230 nan 0.000 0.412 475 V N 3.182 123.072 119.914 -0.039 0.000 2.531 475 V HA 0.701 4.822 4.120 0.001 0.000 0.301 475 V C -0.482 175.641 176.094 0.048 0.000 1.034 475 V CA -0.783 61.539 62.300 0.037 0.000 0.865 475 V CB 1.482 33.354 31.823 0.081 0.000 0.995 475 V HN 0.636 nan 8.190 nan 0.000 0.424 476 V N 1.630 121.581 119.914 0.061 0.000 2.513 476 V HA 1.102 5.222 4.120 0.001 0.000 0.299 476 V C 0.115 176.094 176.094 -0.191 0.000 1.035 476 V CA 0.195 62.455 62.300 -0.066 0.000 0.889 476 V CB 1.319 33.126 31.823 -0.027 0.000 0.988 476 V HN 1.239 nan 8.190 nan 0.000 0.440 477 G N 1.826 110.228 108.800 -0.664 0.000 2.704 477 G HA2 0.649 4.610 3.960 0.001 0.000 0.293 477 G HA3 0.649 4.610 3.960 0.001 0.000 0.293 477 G C -1.137 173.313 174.900 -0.751 0.000 1.421 477 G CA -0.333 44.297 45.100 -0.783 0.000 0.870 477 G HN 1.014 nan 8.290 nan 0.000 0.492 478 T N -0.757 113.664 114.554 -0.223 0.000 2.906 478 T HA 0.784 5.135 4.350 0.001 0.000 0.295 478 T C -0.579 174.218 174.700 0.162 0.000 1.075 478 T CA -0.070 62.026 62.100 -0.007 0.000 1.005 478 T CB 1.537 70.411 68.868 0.010 0.000 1.136 478 T HN 1.569 nan 8.240 nan 0.000 0.498 479 S N 1.296 117.109 115.700 0.190 0.000 2.536 479 S HA 0.859 5.329 4.470 0.001 0.000 0.271 479 S C -1.026 173.651 174.600 0.128 0.000 1.134 479 S CA -0.764 57.548 58.200 0.187 0.000 0.897 479 S CB 1.518 64.849 63.200 0.218 0.000 1.094 479 S HN 1.077 nan 8.310 nan 0.000 0.473 480 A N 1.183 124.081 122.820 0.131 0.000 2.380 480 A HA 0.942 5.263 4.320 0.001 0.000 0.315 480 A C -0.280 177.352 177.584 0.079 0.000 1.101 480 A CA -0.869 51.220 52.037 0.087 0.000 0.771 480 A CB 1.921 21.060 19.000 0.231 0.000 1.287 480 A HN 1.464 nan 8.150 nan 0.000 0.436 481 S N 0.666 116.294 115.700 -0.120 0.000 2.357 481 S HA 0.510 4.981 4.470 0.001 0.000 0.209 481 S C -1.826 172.659 174.600 -0.191 0.000 0.981 481 S CA -0.389 57.790 58.200 -0.034 0.000 1.106 481 S CB -0.378 62.814 63.200 -0.014 0.000 1.266 481 S HN 0.473 nan 8.310 nan 0.000 0.410 482 F N 3.408 123.396 119.950 0.063 0.000 2.391 482 F HA 0.586 5.114 4.527 0.001 0.000 0.359 482 F C 0.929 176.781 175.800 0.086 0.000 1.122 482 F CA -0.414 57.621 58.000 0.059 0.000 1.120 482 F CB 1.603 40.642 39.000 0.067 0.000 1.142 482 F HN 0.436 nan 8.300 nan 0.000 0.483 483 S N 2.083 117.904 115.700 0.202 0.000 2.568 483 S HA 0.565 5.036 4.470 0.001 0.000 0.293 483 S C -1.438 173.314 174.600 0.255 0.000 1.089 483 S CA -0.770 57.558 58.200 0.213 0.000 0.945 483 S CB 1.746 65.038 63.200 0.153 0.000 1.077 483 S HN 0.806 nan 8.310 nan 0.000 0.485 484 H N 1.029 120.199 119.070 0.166 0.000 2.906 484 H HA 0.454 5.010 4.556 0.001 0.000 0.324 484 H C -1.949 173.522 175.328 0.238 0.000 0.973 484 H CA -0.678 55.471 56.048 0.168 0.000 1.321 484 H CB 0.700 30.543 29.762 0.135 0.000 1.535 484 H HN 0.763 nan 8.280 nan 0.000 0.518 485 W N 6.624 128.102 121.300 0.297 0.000 2.376 485 W HA 0.400 5.061 4.660 0.001 0.000 0.312 485 W C -1.424 175.207 176.519 0.187 0.000 1.060 485 W CA -0.815 56.628 57.345 0.164 0.000 1.221 485 W CB 0.909 30.430 29.460 0.102 0.000 1.281 485 W HN 0.613 nan 8.180 nan 0.000 0.456 486 E N 3.250 123.571 120.200 0.203 0.000 2.238 486 E HA 0.724 5.074 4.350 0.001 0.000 0.267 486 E C -0.420 176.181 176.600 0.001 0.000 0.887 486 E CA -0.914 55.460 56.400 -0.044 0.000 0.769 486 E CB 2.189 31.893 29.700 0.006 0.000 1.187 486 E HN 0.623 nan 8.360 nan 0.000 0.416 487 G N 1.811 110.563 108.800 -0.079 0.000 2.720 487 G HA2 0.469 4.429 3.960 0.001 0.000 0.295 487 G HA3 0.469 4.429 3.960 0.001 0.000 0.295 487 G C -1.405 173.523 174.900 0.046 0.000 1.437 487 G CA -0.702 44.454 45.100 0.092 0.000 0.886 487 G HN 0.252 nan 8.290 nan 0.000 0.509 488 K N 0.701 121.151 120.400 0.084 0.000 2.345 488 K HA 0.677 4.997 4.320 0.001 0.000 0.255 488 K C -0.750 175.889 176.600 0.065 0.000 0.934 488 K CA -0.614 55.635 56.287 -0.064 0.000 0.801 488 K CB 2.220 34.688 32.500 -0.053 0.000 1.137 488 K HN 0.401 nan 8.250 nan 0.000 0.424 489 S N 1.735 117.360 115.700 -0.126 0.000 2.503 489 S HA 0.526 4.997 4.470 0.001 0.000 0.301 489 S C -1.334 172.995 174.600 -0.452 0.000 1.087 489 S CA -0.729 57.399 58.200 -0.121 0.000 1.042 489 S CB 0.592 63.878 63.200 0.144 0.000 1.043 489 S HN 0.339 nan 8.310 nan 0.000 0.489 490 Y N 1.405 121.367 120.300 -0.563 0.000 2.350 490 Y HA 0.492 5.043 4.550 0.001 0.000 0.338 490 Y C -0.022 175.776 175.900 -0.170 0.000 0.961 490 Y CA -1.446 56.390 58.100 -0.440 0.000 1.100 490 Y CB 1.247 39.546 38.460 -0.268 0.000 1.179 490 Y HN 0.978 nan 8.280 nan 0.000 0.454 491 W N 0.492 121.841 121.300 0.082 0.000 1.479 491 W HA 0.402 5.062 4.660 0.001 0.000 0.224 491 W C -1.224 175.360 176.519 0.108 0.000 0.799 491 W CA -0.632 56.785 57.345 0.120 0.000 1.149 491 W CB -0.198 29.319 29.460 0.096 0.000 0.935 491 W HN 0.165 nan 8.180 nan 0.000 0.454 492 N N 2.892 121.687 118.700 0.158 0.000 2.678 492 N HA 0.306 5.046 4.740 0.001 0.000 0.231 492 N C -1.083 174.490 175.510 0.104 0.000 1.038 492 N CA -0.075 53.062 53.050 0.145 0.000 0.932 492 N CB 0.977 39.493 38.487 0.048 0.000 1.176 492 N HN 0.116 nan 8.380 nan 0.000 0.511 493 L N 0.297 121.585 121.223 0.109 0.000 2.275 493 L HA 0.498 4.839 4.340 0.001 0.000 0.288 493 L C 0.993 177.876 176.870 0.022 0.000 1.046 493 L CA -0.795 54.057 54.840 0.020 0.000 0.805 493 L CB 0.843 42.845 42.059 -0.096 0.000 1.193 493 L HN 0.024 nan 8.230 nan 0.000 0.426 494 R N 2.996 123.490 120.500 -0.010 0.000 2.481 494 R HA -0.082 4.259 4.340 0.001 0.000 0.291 494 R C 0.203 176.522 176.300 0.032 0.000 0.934 494 R CA 0.353 56.454 56.100 0.001 0.000 1.116 494 R CB -0.116 30.169 30.300 -0.025 0.000 0.895 494 R HN 0.942 nan 8.270 nan 0.000 0.410 495 N N 2.976 121.702 118.700 0.043 0.000 2.068 495 N HA -0.239 4.501 4.740 0.001 0.000 0.290 495 N C -0.941 174.627 175.510 0.097 0.000 1.372 495 N CA 0.457 53.543 53.050 0.061 0.000 0.863 495 N CB 0.077 38.584 38.487 0.032 0.000 1.174 495 N HN 0.469 nan 8.380 nan 0.000 0.494 496 Y N 1.879 122.150 120.300 -0.047 0.000 2.361 496 Y HA 0.219 4.769 4.550 0.001 0.000 0.337 496 Y C -0.952 174.928 175.900 -0.033 0.000 0.965 496 Y CA -1.644 56.417 58.100 -0.066 0.000 1.091 496 Y CB 1.296 39.690 38.460 -0.111 0.000 1.182 496 Y HN 0.470 nan 8.280 nan 0.000 0.450 497 D N 4.503 124.624 120.400 -0.465 0.000 2.358 497 D HA 0.022 4.663 4.640 0.001 0.000 0.258 497 D C 0.233 176.042 176.300 -0.818 0.000 1.223 497 D CA 0.328 54.055 54.000 -0.455 0.000 0.886 497 D CB 0.486 41.126 40.800 -0.267 0.000 1.120 497 D HN 0.772 nan 8.370 nan 0.000 0.482 498 N N 1.635 120.039 118.700 -0.493 0.000 2.204 498 N HA -0.025 4.716 4.740 0.001 0.000 0.219 498 N C -0.284 175.107 175.510 -0.199 0.000 1.151 498 N CA -0.440 52.410 53.050 -0.334 0.000 0.867 498 N CB 0.148 38.610 38.487 -0.041 0.000 1.043 498 N HN 0.283 nan 8.380 nan 0.000 0.516 499 T N -2.526 111.901 114.554 -0.212 0.000 2.928 499 T HA 0.502 4.853 4.350 0.001 0.000 0.284 499 T C -0.135 174.491 174.700 -0.124 0.000 1.008 499 T CA -0.502 61.473 62.100 -0.207 0.000 1.057 499 T CB 2.041 70.796 68.868 -0.188 0.000 1.018 499 T HN 0.067 nan 8.240 nan 0.000 0.493 500 T N 0.125 114.616 114.554 -0.106 0.000 2.908 500 T HA 0.388 4.738 4.350 0.001 0.000 0.290 500 T C 0.018 174.729 174.700 0.020 0.000 1.034 500 T CA -0.736 61.378 62.100 0.024 0.000 1.010 500 T CB 1.447 70.418 68.868 0.172 0.000 1.068 500 T HN 0.586 nan 8.240 nan 0.000 0.481 501 D N 1.463 121.899 120.400 0.061 0.000 2.348 501 D HA 0.169 4.809 4.640 0.001 0.000 0.211 501 D C -0.188 176.171 176.300 0.098 0.000 0.998 501 D CA 0.587 54.620 54.000 0.055 0.000 0.873 501 D CB 0.373 41.199 40.800 0.043 0.000 0.925 501 D HN 0.504 nan 8.370 nan 0.000 0.524 502 D N -0.774 119.717 120.400 0.152 0.000 2.478 502 D HA 0.033 4.674 4.640 0.001 0.000 0.240 502 D C -0.129 176.349 176.300 0.296 0.000 1.364 502 D CA -0.583 53.534 54.000 0.195 0.000 0.987 502 D CB 0.596 41.485 40.800 0.148 0.000 1.328 502 D HN -0.169 nan 8.370 nan 0.000 0.584 503 F N 4.187 124.236 119.950 0.165 0.000 2.118 503 F HA 0.060 4.588 4.527 0.001 0.000 0.293 503 F C 1.992 177.984 175.800 0.321 0.000 1.102 503 F CA 0.941 59.074 58.000 0.221 0.000 1.247 503 F CB 0.079 39.153 39.000 0.122 0.000 1.017 503 F HN 0.388 nan 8.300 nan 0.000 0.475 504 I N 0.819 121.607 120.570 0.363 0.000 2.236 504 I HA -0.352 3.818 4.170 0.001 0.000 0.249 504 I C 0.840 177.060 176.117 0.172 0.000 1.102 504 I CA 1.567 63.011 61.300 0.239 0.000 1.365 504 I CB -0.792 37.334 38.000 0.209 0.000 1.051 504 I HN 0.316 nan 8.210 nan 0.000 0.420 505 N N -0.542 118.254 118.700 0.160 0.000 2.214 505 N HA -0.013 4.728 4.740 0.001 0.000 0.214 505 N C 0.157 175.715 175.510 0.081 0.000 1.132 505 N CA -0.168 52.944 53.050 0.104 0.000 0.856 505 N CB 0.146 38.676 38.487 0.071 0.000 1.020 505 N HN 0.383 nan 8.380 nan 0.000 0.509 506 W N 2.223 123.465 121.300 -0.097 0.000 2.409 506 W HA -0.110 4.551 4.660 0.001 0.000 0.338 506 W C -0.128 176.211 176.519 -0.300 0.000 1.273 506 W CA 0.934 58.154 57.345 -0.208 0.000 1.299 506 W CB 0.597 29.893 29.460 -0.273 0.000 1.192 506 W HN 0.065 nan 8.180 nan 0.000 0.565 507 D N 2.478 122.302 120.400 -0.960 0.000 2.530 507 D HA 0.146 4.787 4.640 0.001 0.000 0.253 507 D C 1.238 176.494 176.300 -1.739 0.000 1.338 507 D CA 0.607 54.055 54.000 -0.920 0.000 0.806 507 D CB -0.055 40.441 40.800 -0.505 0.000 1.160 507 D HN 0.680 nan 8.370 nan 0.000 0.514 508 G N 0.905 108.131 108.800 -2.623 0.000 2.179 508 G HA2 -0.236 3.724 3.960 0.001 0.000 0.260 508 G HA3 -0.236 3.724 3.960 0.001 0.000 0.260 508 G C 0.040 174.116 174.900 -1.374 0.000 0.977 508 G CA 0.130 43.871 45.100 -2.264 0.000 0.641 508 G HN 0.407 nan 8.290 nan 0.000 0.533 509 D N 0.627 120.373 120.400 -1.090 0.000 2.435 509 D HA 0.484 5.125 4.640 0.001 0.000 0.230 509 D C -0.044 176.145 176.300 -0.185 0.000 1.215 509 D CA 0.308 54.029 54.000 -0.466 0.000 0.947 509 D CB 0.135 40.742 40.800 -0.320 0.000 1.048 509 D HN 0.431 nan 8.370 nan 0.000 0.512 510 I N 0.822 121.391 120.570 -0.003 0.000 2.752 510 I HA 0.309 4.479 4.170 0.001 0.000 0.295 510 I C 0.334 176.692 176.117 0.402 0.000 1.219 510 I CA -0.721 60.709 61.300 0.217 0.000 1.030 510 I CB 1.867 40.085 38.000 0.363 0.000 1.259 510 I HN 0.235 nan 8.210 nan 0.000 0.423 511 G N 4.693 113.671 108.800 0.298 0.000 2.464 511 G HA2 -0.031 3.929 3.960 0.001 0.000 0.231 511 G HA3 -0.031 3.929 3.960 0.001 0.000 0.231 511 G C -0.328 174.804 174.900 0.388 0.000 1.267 511 G CA -0.145 45.123 45.100 0.279 0.000 0.863 511 G HN 0.752 nan 8.290 nan 0.000 0.559 512 K N 2.471 122.763 120.400 -0.180 0.000 2.326 512 K HA 0.276 4.597 4.320 0.001 0.000 0.275 512 K C -1.681 174.390 176.600 -0.881 0.000 1.018 512 K CA -1.125 54.521 56.287 -1.069 0.000 0.962 512 K CB 0.810 32.688 32.500 -1.037 0.000 0.953 512 K HN 0.295 nan 8.250 nan 0.000 0.475 513 P HA 0.110 nan 4.420 nan 0.000 0.279 513 P C -1.300 175.230 177.300 -1.282 0.000 1.276 513 P CA -0.374 61.671 63.100 -1.757 0.000 0.801 513 P CB 0.639 30.955 31.700 -2.307 0.000 1.127 514 D N -0.500 119.397 120.400 -0.838 0.000 2.329 514 D HA 0.141 4.782 4.640 0.001 0.000 0.232 514 D C 0.180 176.189 176.300 -0.486 0.000 1.088 514 D CA -0.473 53.206 54.000 -0.536 0.000 0.835 514 D CB 0.167 40.817 40.800 -0.249 0.000 1.078 514 D HN 0.247 nan 8.370 nan 0.000 0.495 515 W N 3.615 124.802 121.300 -0.188 0.000 2.678 515 W HA 0.220 4.881 4.660 0.001 0.000 0.256 515 W C 1.837 178.392 176.519 0.059 0.000 1.280 515 W CA 0.359 57.644 57.345 -0.101 0.000 1.345 515 W CB -0.236 29.083 29.460 -0.235 0.000 1.118 515 W HN 0.734 nan 8.180 nan 0.000 0.629 516 G N 0.740 109.652 108.800 0.188 0.000 2.564 516 G HA2 -0.346 3.614 3.960 0.001 0.000 0.273 516 G HA3 -0.346 3.614 3.960 0.001 0.000 0.273 516 G C 0.273 175.273 174.900 0.168 0.000 1.242 516 G CA 0.626 45.802 45.100 0.126 0.000 0.951 516 G HN 0.355 nan 8.290 nan 0.000 0.564 517 T N -0.098 114.448 114.554 -0.013 0.000 2.918 517 T HA 0.658 5.009 4.350 0.001 0.000 0.283 517 T C -2.111 172.245 174.700 -0.573 0.000 1.001 517 T CA -0.692 61.302 62.100 -0.177 0.000 1.041 517 T CB 1.782 70.581 68.868 -0.114 0.000 1.028 517 T HN 0.551 nan 8.240 nan 0.000 0.511 518 P HA 0.218 nan 4.420 nan 0.000 0.270 518 P C 0.056 176.822 177.300 -0.890 0.000 1.227 518 P CA -0.323 61.965 63.100 -1.354 0.000 0.788 518 P CB 0.416 31.256 31.700 -1.432 0.000 0.926 519 S N -1.542 113.579 115.700 -0.965 0.000 2.649 519 S HA 0.132 4.602 4.470 0.001 0.000 0.246 519 S C 0.035 174.232 174.600 -0.673 0.000 1.057 519 S CA -0.056 57.643 58.200 -0.835 0.000 1.051 519 S CB 0.289 62.646 63.200 -1.405 0.000 1.018 519 S HN 0.538 nan 8.310 nan 0.000 0.569 520 Q N -0.245 119.143 119.800 -0.688 0.000 2.386 520 Q HA 0.460 4.801 4.340 0.001 0.000 0.274 520 Q C -2.301 173.482 176.000 -0.363 0.000 1.011 520 Q CA -0.560 55.044 55.803 -0.330 0.000 0.867 520 Q CB 1.534 30.183 28.738 -0.147 0.000 1.409 520 Q HN 0.324 nan 8.270 nan 0.000 0.395 521 Y N 3.581 123.809 120.300 -0.120 0.000 2.445 521 Y HA 0.362 4.913 4.550 0.001 0.000 0.332 521 Y C -0.165 175.648 175.900 -0.145 0.000 1.037 521 Y CA -0.816 57.210 58.100 -0.124 0.000 1.296 521 Y CB 1.089 39.480 38.460 -0.114 0.000 1.099 521 Y HN 0.451 nan 8.280 nan 0.000 0.496 522 I N 2.450 122.959 120.570 -0.101 0.000 2.638 522 I HA 0.217 4.388 4.170 0.001 0.000 0.286 522 I C -0.154 175.790 176.117 -0.289 0.000 1.088 522 I CA 0.148 61.245 61.300 -0.338 0.000 1.397 522 I CB 1.245 38.721 38.000 -0.872 0.000 1.414 522 I HN 0.565 nan 8.210 nan 0.000 0.566 523 D N 3.362 123.597 120.400 -0.275 0.000 2.318 523 D HA 0.290 4.930 4.640 0.001 0.000 0.233 523 D C -1.609 174.598 176.300 -0.155 0.000 1.348 523 D CA -0.289 53.633 54.000 -0.130 0.000 0.983 523 D CB 0.852 41.622 40.800 -0.050 0.000 1.416 523 D HN 0.396 nan 8.370 nan 0.000 0.558 524 D N 1.852 122.170 120.400 -0.137 0.000 2.492 524 D HA 0.349 4.989 4.640 0.001 0.000 0.248 524 D C -0.553 175.763 176.300 0.026 0.000 1.101 524 D CA -0.306 53.665 54.000 -0.049 0.000 0.840 524 D CB 1.445 42.251 40.800 0.009 0.000 1.209 524 D HN 0.023 nan 8.370 nan 0.000 0.524 525 K N 1.832 122.210 120.400 -0.037 0.000 2.339 525 K HA 0.464 4.785 4.320 0.001 0.000 0.264 525 K C -0.515 176.072 176.600 -0.022 0.000 0.986 525 K CA -0.622 55.645 56.287 -0.034 0.000 0.866 525 K CB 1.816 34.255 32.500 -0.102 0.000 1.103 525 K HN 0.273 nan 8.250 nan 0.000 0.441 526 T N 2.565 117.111 114.554 -0.012 0.000 2.907 526 T HA 0.316 4.666 4.350 0.001 0.000 0.284 526 T C -0.279 174.298 174.700 -0.206 0.000 1.004 526 T CA -0.643 61.364 62.100 -0.156 0.000 1.063 526 T CB 1.098 69.869 68.868 -0.162 0.000 0.992 526 T HN 0.339 nan 8.240 nan 0.000 0.483 527 R N 2.275 122.558 120.500 -0.362 0.000 2.538 527 R HA 0.370 4.710 4.340 0.001 0.000 0.292 527 R C -1.506 174.523 176.300 -0.451 0.000 1.008 527 R CA -0.576 55.250 56.100 -0.456 0.000 0.896 527 R CB 1.898 31.920 30.300 -0.462 0.000 1.187 527 R HN 0.800 nan 8.270 nan 0.000 0.440 528 Q N 5.289 124.860 119.800 -0.382 0.000 2.337 528 Q HA 0.540 4.880 4.340 0.001 0.000 0.270 528 Q C -1.521 174.396 176.000 -0.138 0.000 1.043 528 Q CA -0.681 55.010 55.803 -0.186 0.000 0.794 528 Q CB 1.836 30.547 28.738 -0.045 0.000 1.281 528 Q HN 0.574 nan 8.270 nan 0.000 0.446 529 L N 2.048 123.246 121.223 -0.042 0.000 2.341 529 L HA 0.965 5.306 4.340 0.001 0.000 0.267 529 L C 0.026 176.944 176.870 0.080 0.000 1.009 529 L CA -1.045 53.803 54.840 0.012 0.000 0.819 529 L CB 2.373 44.441 42.059 0.015 0.000 1.323 529 L HN 0.793 nan 8.230 nan 0.000 0.425 530 G N -0.017 108.852 108.800 0.115 0.000 2.733 530 G HA2 0.666 4.627 3.960 0.001 0.000 0.297 530 G HA3 0.666 4.627 3.960 0.001 0.000 0.297 530 G C -1.641 173.385 174.900 0.211 0.000 1.422 530 G CA -0.356 44.844 45.100 0.167 0.000 0.942 530 G HN 0.421 nan 8.290 nan 0.000 0.510 531 S N -0.144 115.690 115.700 0.224 0.000 2.619 531 S HA 0.679 5.150 4.470 0.001 0.000 0.280 531 S C -1.507 173.227 174.600 0.223 0.000 1.150 531 S CA -0.600 57.686 58.200 0.143 0.000 0.978 531 S CB 1.189 64.435 63.200 0.077 0.000 1.041 531 S HN 0.863 nan 8.310 nan 0.000 0.485 532 Y N -0.057 120.278 120.300 0.058 0.000 2.386 532 Y HA 0.865 5.415 4.550 0.001 0.000 0.334 532 Y C -1.194 174.738 175.900 0.054 0.000 1.002 532 Y CA -1.621 56.506 58.100 0.045 0.000 1.068 532 Y CB 0.566 39.017 38.460 -0.014 0.000 1.203 532 Y HN 0.393 nan 8.280 nan 0.000 0.443 533 M N 3.420 123.112 119.600 0.153 0.000 2.268 533 M HA 0.683 5.164 4.480 0.001 0.000 0.344 533 M C -0.693 175.700 176.300 0.155 0.000 1.106 533 M CA -0.212 55.153 55.300 0.109 0.000 1.010 533 M CB 2.114 34.769 32.600 0.093 0.000 1.649 533 M HN 0.751 nan 8.290 nan 0.000 0.443 534 T N 1.652 116.280 114.554 0.123 0.000 2.893 534 T HA 0.915 5.265 4.350 0.001 0.000 0.293 534 T C -1.153 173.605 174.700 0.097 0.000 1.027 534 T CA -0.856 61.322 62.100 0.130 0.000 0.988 534 T CB 1.878 70.795 68.868 0.082 0.000 1.043 534 T HN 0.725 nan 8.240 nan 0.000 0.461 535 A N 2.280 125.185 122.820 0.141 0.000 2.371 535 A HA 0.811 5.132 4.320 0.001 0.000 0.311 535 A C -0.479 177.098 177.584 -0.012 0.000 1.068 535 A CA -0.849 51.196 52.037 0.014 0.000 0.744 535 A CB 1.286 20.255 19.000 -0.051 0.000 1.239 535 A HN 0.753 nan 8.150 nan 0.000 0.435 536 R N 2.663 123.041 120.500 -0.204 0.000 2.272 536 R HA 0.470 4.811 4.340 0.001 0.000 0.323 536 R C -1.699 174.434 176.300 -0.277 0.000 1.002 536 R CA -0.335 55.508 56.100 -0.428 0.000 0.900 536 R CB 0.181 30.117 30.300 -0.606 0.000 1.151 536 R HN 0.600 nan 8.270 nan 0.000 0.507 537 F N 2.638 122.483 119.950 -0.174 0.000 2.467 537 F HA 0.114 4.641 4.527 0.001 0.000 0.362 537 F C 1.340 177.149 175.800 0.015 0.000 1.090 537 F CA -0.070 57.879 58.000 -0.086 0.000 1.202 537 F CB 0.808 39.708 39.000 -0.168 0.000 1.113 537 F HN 0.421 nan 8.300 nan 0.000 0.541 538 N N 3.936 122.849 118.700 0.355 0.000 2.739 538 N HA 0.084 4.825 4.740 0.001 0.000 0.266 538 N C 0.807 176.468 175.510 0.251 0.000 1.168 538 N CA -0.244 52.926 53.050 0.200 0.000 1.055 538 N CB 0.583 39.099 38.487 0.049 0.000 1.393 538 N HN 0.466 nan 8.380 nan 0.000 0.514 539 V N 2.099 122.137 119.914 0.205 0.000 2.244 539 V HA -0.115 4.005 4.120 0.001 0.000 0.244 539 V C 1.147 177.318 176.094 0.128 0.000 1.042 539 V CA 1.455 63.855 62.300 0.167 0.000 1.006 539 V CB -0.311 31.587 31.823 0.124 0.000 0.641 539 V HN 0.555 nan 8.190 nan 0.000 0.446 540 T N -1.392 113.230 114.554 0.114 0.000 2.910 540 T HA 0.290 4.640 4.350 0.001 0.000 0.287 540 T C 0.314 175.046 174.700 0.054 0.000 1.050 540 T CA -0.454 61.698 62.100 0.087 0.000 1.011 540 T CB 1.451 70.387 68.868 0.113 0.000 1.195 540 T HN 0.149 nan 8.240 nan 0.000 0.540 541 D N 0.745 121.161 120.400 0.026 0.000 2.309 541 D HA -0.048 4.592 4.640 0.001 0.000 0.212 541 D C 0.883 177.164 176.300 -0.032 0.000 0.968 541 D CA 1.047 55.044 54.000 -0.004 0.000 0.882 541 D CB 0.100 40.892 40.800 -0.012 0.000 0.918 541 D HN 0.418 nan 8.370 nan 0.000 0.503 542 D N -0.578 119.794 120.400 -0.046 0.000 2.449 542 D HA 0.063 4.703 4.640 0.001 0.000 0.210 542 D C 0.181 176.460 176.300 -0.036 0.000 1.094 542 D CA -0.181 53.719 54.000 -0.167 0.000 0.846 542 D CB 1.068 41.592 40.800 -0.460 0.000 1.003 542 D HN 0.092 nan 8.370 nan 0.000 0.504 543 L N 1.774 123.067 121.223 0.116 0.000 2.319 543 L HA 0.369 4.709 4.340 0.001 0.000 0.281 543 L C -1.048 175.915 176.870 0.154 0.000 1.005 543 L CA -0.414 54.562 54.840 0.227 0.000 0.828 543 L CB 1.204 43.431 42.059 0.281 0.000 1.227 543 L HN -0.225 nan 8.230 nan 0.000 0.415 544 N N 5.254 124.048 118.700 0.156 0.000 2.399 544 N HA 0.387 5.128 4.740 0.001 0.000 0.280 544 N C -1.518 174.055 175.510 0.105 0.000 1.008 544 N CA -0.666 52.429 53.050 0.076 0.000 0.894 544 N CB 2.660 41.136 38.487 -0.019 0.000 1.273 544 N HN 0.328 nan 8.380 nan 0.000 0.486 545 L N 2.900 124.177 121.223 0.090 0.000 2.282 545 L HA 0.513 4.853 4.340 0.001 0.000 0.288 545 L C -1.167 175.790 176.870 0.145 0.000 1.033 545 L CA -0.306 54.629 54.840 0.157 0.000 0.807 545 L CB 0.314 42.425 42.059 0.086 0.000 1.209 545 L HN 0.387 nan 8.230 nan 0.000 0.423 546 F N 5.940 126.035 119.950 0.241 0.000 2.388 546 F HA 0.530 5.058 4.527 0.001 0.000 0.358 546 F C -0.265 175.711 175.800 0.293 0.000 1.122 546 F CA -0.432 57.745 58.000 0.295 0.000 1.056 546 F CB 0.849 40.060 39.000 0.351 0.000 1.155 546 F HN 0.168 nan 8.300 nan 0.000 0.461 547 L N 3.181 124.682 121.223 0.463 0.000 2.386 547 L HA 0.948 5.289 4.340 0.001 0.000 0.271 547 L C 0.146 177.240 176.870 0.373 0.000 0.993 547 L CA -0.485 54.577 54.840 0.370 0.000 0.819 547 L CB 2.034 44.250 42.059 0.262 0.000 1.294 547 L HN 0.795 nan 8.230 nan 0.000 0.414 548 G N 0.981 109.999 108.800 0.363 0.000 2.427 548 G HA2 0.694 4.654 3.960 0.001 0.000 0.306 548 G HA3 0.694 4.654 3.960 0.001 0.000 0.306 548 G C -1.230 173.850 174.900 0.299 0.000 1.280 548 G CA 0.040 45.322 45.100 0.304 0.000 0.837 548 G HN 0.937 nan 8.290 nan 0.000 0.482 549 G N -1.259 107.672 108.800 0.219 0.000 2.328 549 G HA2 0.576 4.537 3.960 0.001 0.000 0.299 549 G HA3 0.576 4.537 3.960 0.001 0.000 0.299 549 G C -1.728 173.235 174.900 0.104 0.000 1.435 549 G CA -0.460 44.679 45.100 0.064 0.000 0.865 549 G HN 0.682 nan 8.290 nan 0.000 0.601 550 R N -0.219 120.230 120.500 -0.086 0.000 2.534 550 R HA 0.672 5.013 4.340 0.001 0.000 0.301 550 R C -0.238 176.129 176.300 0.111 0.000 0.961 550 R CA -0.663 55.478 56.100 0.070 0.000 0.871 550 R CB 1.936 32.238 30.300 0.004 0.000 1.170 550 R HN 1.094 nan 8.270 nan 0.000 0.446 551 V N 3.145 123.201 119.914 0.238 0.000 2.539 551 V HA 0.639 4.760 4.120 0.001 0.000 0.292 551 V C -0.842 175.368 176.094 0.194 0.000 1.045 551 V CA -0.252 62.198 62.300 0.249 0.000 0.945 551 V CB 1.717 33.690 31.823 0.249 0.000 0.993 551 V HN 0.476 nan 8.190 nan 0.000 0.464 552 V N 4.761 124.801 119.914 0.210 0.000 2.735 552 V HA 0.585 4.706 4.120 0.001 0.000 0.310 552 V C -0.716 175.509 176.094 0.218 0.000 1.061 552 V CA -0.471 61.963 62.300 0.223 0.000 0.913 552 V CB 1.819 33.835 31.823 0.322 0.000 1.005 552 V HN 1.091 nan 8.190 nan 0.000 0.428 553 D N 1.965 122.477 120.400 0.187 0.000 2.649 553 D HA 0.380 5.020 4.640 0.001 0.000 0.249 553 D C -2.049 174.370 176.300 0.199 0.000 1.112 553 D CA -0.251 53.850 54.000 0.168 0.000 0.850 553 D CB 2.241 43.098 40.800 0.095 0.000 1.399 553 D HN 0.512 nan 8.370 nan 0.000 0.503 554 Y N 3.108 123.451 120.300 0.072 0.000 2.354 554 Y HA 0.387 4.938 4.550 0.001 0.000 0.330 554 Y C -1.039 174.881 175.900 0.034 0.000 1.011 554 Y CA -0.797 57.333 58.100 0.049 0.000 1.099 554 Y CB 1.315 39.835 38.460 0.100 0.000 1.179 554 Y HN 0.373 nan 8.280 nan 0.000 0.442 555 R N 4.794 125.113 120.500 -0.302 0.000 2.574 555 R HA 0.760 5.101 4.340 0.001 0.000 0.288 555 R C -2.263 173.877 176.300 -0.267 0.000 1.004 555 R CA -0.872 55.130 56.100 -0.162 0.000 0.895 555 R CB 1.922 32.169 30.300 -0.087 0.000 1.191 555 R HN 0.502 nan 8.270 nan 0.000 0.444 556 V N 3.830 123.677 119.914 -0.111 0.000 2.509 556 V HA 0.465 4.586 4.120 0.001 0.000 0.289 556 V C -0.663 175.423 176.094 -0.013 0.000 1.026 556 V CA -0.110 62.148 62.300 -0.069 0.000 0.872 556 V CB 1.631 33.445 31.823 -0.015 0.000 1.017 556 V HN 0.935 nan 8.190 nan 0.000 0.436 557 T N 3.488 118.026 114.554 -0.026 0.000 2.918 557 T HA 0.975 5.326 4.350 0.001 0.000 0.283 557 T C 0.464 175.150 174.700 -0.024 0.000 1.001 557 T CA 0.312 62.400 62.100 -0.019 0.000 1.041 557 T CB 1.640 70.490 68.868 -0.029 0.000 1.028 557 T HN 1.888 nan 8.240 nan 0.000 0.511 558 G N 0.570 109.358 108.800 -0.021 0.000 2.498 558 G HA2 0.296 4.257 3.960 0.001 0.000 0.181 558 G HA3 0.296 4.257 3.960 0.001 0.000 0.181 558 G C 0.059 174.947 174.900 -0.019 0.000 1.169 558 G CA -0.141 44.939 45.100 -0.033 0.000 0.992 558 G HN 0.984 nan 8.290 nan 0.000 0.490 559 L N 0.801 122.014 121.223 -0.016 0.000 2.156 559 L HA 0.375 4.716 4.340 0.001 0.000 0.208 559 L C 0.695 177.584 176.870 0.032 0.000 1.095 559 L CA 1.046 55.891 54.840 0.008 0.000 0.770 559 L CB -0.504 41.565 42.059 0.017 0.000 0.914 559 L HN 0.395 nan 8.230 nan 0.000 0.439 560 N N 0.339 119.062 118.700 0.038 0.000 2.476 560 N HA 0.280 5.021 4.740 0.001 0.000 0.275 560 N C -2.414 173.118 175.510 0.038 0.000 1.190 560 N CA -1.536 51.544 53.050 0.050 0.000 0.977 560 N CB -0.029 38.497 38.487 0.065 0.000 1.200 560 N HN -0.096 nan 8.380 nan 0.000 0.515 561 P HA -0.105 nan 4.420 nan 0.000 0.255 561 P C -0.332 176.988 177.300 0.033 0.000 1.132 561 P CA 0.752 63.873 63.100 0.035 0.000 0.766 561 P CB -0.316 31.408 31.700 0.039 0.000 0.715 562 T N 5.052 119.623 114.554 0.028 0.000 2.709 562 T HA -0.014 4.337 4.350 0.001 0.000 0.269 562 T C 0.883 175.608 174.700 0.041 0.000 1.008 562 T CA 0.523 62.641 62.100 0.029 0.000 1.194 562 T CB -0.471 68.410 68.868 0.022 0.000 0.986 562 T HN 0.184 nan 8.240 nan 0.000 0.508 563 I N 4.937 125.541 120.570 0.057 0.000 2.342 563 I HA 0.386 4.556 4.170 0.001 0.000 0.291 563 I C 0.714 176.897 176.117 0.110 0.000 1.010 563 I CA -0.302 61.050 61.300 0.086 0.000 1.308 563 I CB 0.643 38.712 38.000 0.116 0.000 1.400 563 I HN 0.256 nan 8.210 nan 0.000 0.488 564 R N 5.859 126.423 120.500 0.107 0.000 2.515 564 R HA 0.377 4.717 4.340 0.001 0.000 0.291 564 R C -1.478 174.891 176.300 0.115 0.000 1.046 564 R CA -0.572 55.592 56.100 0.107 0.000 0.914 564 R CB 2.010 32.347 30.300 0.062 0.000 1.191 564 R HN 0.533 nan 8.270 nan 0.000 0.435 565 E N 1.966 122.264 120.200 0.163 0.000 2.216 565 E HA 0.346 4.696 4.350 0.001 0.000 0.260 565 E C -0.987 175.688 176.600 0.124 0.000 0.880 565 E CA -0.432 56.045 56.400 0.127 0.000 0.765 565 E CB 2.301 32.097 29.700 0.160 0.000 1.174 565 E HN 0.414 nan 8.360 nan 0.000 0.417 566 S N 0.026 115.768 115.700 0.070 0.000 2.501 566 S HA 0.537 5.008 4.470 0.001 0.000 0.301 566 S C 0.731 175.367 174.600 0.058 0.000 1.096 566 S CA -0.286 57.956 58.200 0.070 0.000 1.063 566 S CB 1.699 64.930 63.200 0.052 0.000 1.042 566 S HN 0.743 nan 8.310 nan 0.000 0.494 567 G N 2.352 111.201 108.800 0.080 0.000 2.379 567 G HA2 -0.268 3.693 3.960 0.001 0.000 0.297 567 G HA3 -0.268 3.693 3.960 0.001 0.000 0.297 567 G C 0.038 174.990 174.900 0.086 0.000 1.004 567 G CA 0.238 45.390 45.100 0.087 0.000 0.921 567 G HN 0.605 nan 8.290 nan 0.000 0.511 568 R N -1.132 119.408 120.500 0.068 0.000 2.490 568 R HA 0.443 4.783 4.340 0.001 0.000 0.280 568 R C -0.262 176.128 176.300 0.149 0.000 1.077 568 R CA -0.497 55.602 56.100 -0.001 0.000 1.065 568 R CB 0.578 30.691 30.300 -0.311 0.000 1.003 568 R HN 0.191 nan 8.270 nan 0.000 0.470 569 F N 3.960 123.907 119.950 -0.005 0.000 2.421 569 F HA 0.442 4.969 4.527 0.001 0.000 0.337 569 F C -0.468 175.377 175.800 0.076 0.000 1.105 569 F CA -0.919 57.112 58.000 0.053 0.000 1.049 569 F CB 0.824 39.851 39.000 0.045 0.000 1.139 569 F HN 0.315 nan 8.300 nan 0.000 0.479 570 I N 8.239 128.410 120.570 -0.665 0.000 2.411 570 I HA 0.333 4.504 4.170 0.001 0.000 0.284 570 I C -2.377 173.205 176.117 -0.890 0.000 1.012 570 I CA -2.026 58.965 61.300 -0.514 0.000 1.119 570 I CB 1.742 39.612 38.000 -0.218 0.000 1.261 570 I HN 0.408 nan 8.210 nan 0.000 0.448 571 P HA 0.173 nan 4.420 nan 0.000 0.279 571 P C -1.568 175.715 177.300 -0.029 0.000 1.252 571 P CA -0.377 62.566 63.100 -0.262 0.000 0.811 571 P CB 1.134 32.950 31.700 0.195 0.000 1.035 572 Y N 1.309 121.597 120.300 -0.020 0.000 2.322 572 Y HA 0.446 4.996 4.550 0.001 0.000 0.324 572 Y C -1.395 174.575 175.900 0.118 0.000 1.027 572 Y CA -0.574 57.528 58.100 0.003 0.000 1.179 572 Y CB 1.428 39.877 38.460 -0.018 0.000 1.136 572 Y HN 0.053 nan 8.280 nan 0.000 0.449 573 V N 5.306 125.154 119.914 -0.110 0.000 2.531 573 V HA 0.928 5.049 4.120 0.001 0.000 0.301 573 V C -0.131 175.885 176.094 -0.131 0.000 1.034 573 V CA -0.287 62.020 62.300 0.012 0.000 0.865 573 V CB 1.473 33.349 31.823 0.088 0.000 0.995 573 V HN 0.931 nan 8.190 nan 0.000 0.424 574 G N 2.717 111.538 108.800 0.035 0.000 2.698 574 G HA2 0.855 4.815 3.960 0.001 0.000 0.293 574 G HA3 0.855 4.815 3.960 0.001 0.000 0.293 574 G C -1.503 173.586 174.900 0.314 0.000 1.437 574 G CA -0.101 45.041 45.100 0.069 0.000 0.852 574 G HN 1.146 nan 8.290 nan 0.000 0.499 575 A N -0.518 122.476 122.820 0.289 0.000 2.486 575 A HA 0.852 5.172 4.320 0.001 0.000 0.300 575 A C -1.325 176.479 177.584 0.367 0.000 1.048 575 A CA -0.699 51.543 52.037 0.341 0.000 0.696 575 A CB 2.129 21.256 19.000 0.211 0.000 1.278 575 A HN 2.054 nan 8.150 nan 0.000 0.405 576 V N 2.725 122.880 119.914 0.402 0.000 2.531 576 V HA 0.734 4.855 4.120 0.001 0.000 0.301 576 V C -1.954 174.339 176.094 0.332 0.000 1.034 576 V CA -0.553 61.965 62.300 0.365 0.000 0.865 576 V CB 1.593 33.618 31.823 0.337 0.000 0.995 576 V HN 1.062 nan 8.190 nan 0.000 0.424 577 Y N 5.591 125.991 120.300 0.166 0.000 2.326 577 Y HA 0.553 5.104 4.550 0.001 0.000 0.331 577 Y C -0.058 175.908 175.900 0.110 0.000 0.962 577 Y CA -0.907 57.265 58.100 0.119 0.000 1.167 577 Y CB 1.246 39.764 38.460 0.098 0.000 1.148 577 Y HN 0.737 nan 8.280 nan 0.000 0.463 578 D N 6.579 126.805 120.400 -0.289 0.000 2.455 578 D HA 0.063 4.704 4.640 0.001 0.000 0.241 578 D C 0.770 176.841 176.300 -0.382 0.000 1.138 578 D CA 0.441 54.291 54.000 -0.250 0.000 0.877 578 D CB 1.641 42.319 40.800 -0.202 0.000 1.187 578 D HN 0.759 nan 8.370 nan 0.000 0.451 579 L N 1.342 122.506 121.223 -0.097 0.000 2.556 579 L HA 0.063 4.404 4.340 0.001 0.000 0.226 579 L C 0.396 177.261 176.870 -0.007 0.000 1.089 579 L CA 0.144 54.974 54.840 -0.017 0.000 0.864 579 L CB -0.251 41.868 42.059 0.099 0.000 1.067 579 L HN 0.511 nan 8.230 nan 0.000 0.477 580 N N -3.988 114.706 118.700 -0.009 0.000 3.382 580 N HA -0.050 4.691 4.740 0.001 0.000 0.299 580 N C -0.457 175.036 175.510 -0.027 0.000 1.346 580 N CA -0.447 52.601 53.050 -0.003 0.000 0.811 580 N CB -0.106 38.409 38.487 0.046 0.000 1.697 580 N HN -0.322 nan 8.380 nan 0.000 0.394 581 D N -0.699 119.680 120.400 -0.035 0.000 2.218 581 D HA -0.053 4.588 4.640 0.001 0.000 0.204 581 D C 0.795 177.005 176.300 -0.149 0.000 0.976 581 D CA 1.870 55.827 54.000 -0.072 0.000 0.853 581 D CB -0.195 40.574 40.800 -0.052 0.000 0.939 581 D HN 0.590 nan 8.370 nan 0.000 0.481 582 T N -0.447 113.990 114.554 -0.194 0.000 2.898 582 T HA -0.001 4.350 4.350 0.001 0.000 0.241 582 T C 0.601 174.963 174.700 -0.563 0.000 1.024 582 T CA 0.540 62.337 62.100 -0.504 0.000 1.174 582 T CB -0.035 68.431 68.868 -0.670 0.000 0.873 582 T HN -0.003 nan 8.240 nan 0.000 0.422 583 Y N 1.074 121.302 120.300 -0.120 0.000 2.403 583 Y HA 0.616 5.166 4.550 0.001 0.000 0.323 583 Y C 0.254 176.139 175.900 -0.025 0.000 1.226 583 Y CA -0.822 57.242 58.100 -0.061 0.000 1.235 583 Y CB 1.368 39.820 38.460 -0.014 0.000 1.248 583 Y HN -0.020 nan 8.280 nan 0.000 0.489 584 S N 0.682 116.506 115.700 0.207 0.000 2.546 584 S HA 0.481 4.951 4.470 0.001 0.000 0.272 584 S C -1.094 173.665 174.600 0.264 0.000 1.140 584 S CA -1.003 57.306 58.200 0.182 0.000 0.920 584 S CB 1.289 64.567 63.200 0.131 0.000 1.083 584 S HN 0.564 nan 8.310 nan 0.000 0.476 585 V N 1.905 121.985 119.914 0.275 0.000 2.686 585 V HA 0.890 5.011 4.120 0.001 0.000 0.295 585 V C -0.775 175.521 176.094 0.336 0.000 1.057 585 V CA -0.368 62.092 62.300 0.267 0.000 1.012 585 V CB 0.402 32.333 31.823 0.180 0.000 1.006 585 V HN 0.923 nan 8.190 nan 0.000 0.477 586 Y N 1.433 121.816 120.300 0.137 0.000 2.588 586 Y HA 0.972 5.523 4.550 0.001 0.000 0.343 586 Y C -0.573 175.386 175.900 0.099 0.000 1.065 586 Y CA -0.902 57.273 58.100 0.124 0.000 1.038 586 Y CB 1.426 39.947 38.460 0.101 0.000 1.297 586 Y HN 1.176 nan 8.280 nan 0.000 0.467 587 A N 1.638 124.486 122.820 0.047 0.000 2.574 587 A HA 0.901 5.222 4.320 0.001 0.000 0.297 587 A C -1.131 176.491 177.584 0.063 0.000 1.062 587 A CA -0.108 51.894 52.037 -0.058 0.000 0.686 587 A CB 1.294 20.282 19.000 -0.021 0.000 1.285 587 A HN 1.823 nan 8.150 nan 0.000 0.403 588 S N -0.108 115.600 115.700 0.013 0.000 2.587 588 S HA 0.681 5.152 4.470 0.001 0.000 0.269 588 S C -1.463 173.090 174.600 -0.079 0.000 1.154 588 S CA -0.599 57.566 58.200 -0.057 0.000 0.824 588 S CB 1.076 64.183 63.200 -0.155 0.000 1.118 588 S HN 1.880 nan 8.310 nan 0.000 0.462 589 Y N 1.478 121.583 120.300 -0.324 0.000 2.338 589 Y HA 0.659 5.210 4.550 0.001 0.000 0.333 589 Y C -0.687 174.948 175.900 -0.440 0.000 0.968 589 Y CA -0.095 57.744 58.100 -0.435 0.000 1.123 589 Y CB 1.803 40.021 38.460 -0.404 0.000 1.165 589 Y HN 1.083 nan 8.280 nan 0.000 0.452 590 T N 2.433 116.503 114.554 -0.806 0.000 2.893 590 T HA 0.499 4.849 4.350 0.001 0.000 0.293 590 T C -1.468 172.831 174.700 -0.668 0.000 1.027 590 T CA -0.826 60.899 62.100 -0.625 0.000 0.988 590 T CB 2.197 70.844 68.868 -0.368 0.000 1.043 590 T HN 0.620 nan 8.240 nan 0.000 0.461 591 D N 0.426 120.544 120.400 -0.470 0.000 2.433 591 D HA 0.762 5.403 4.640 0.001 0.000 0.236 591 D C -1.176 174.987 176.300 -0.228 0.000 1.026 591 D CA -0.738 53.041 54.000 -0.367 0.000 0.884 591 D CB 1.782 42.401 40.800 -0.301 0.000 1.384 591 D HN 0.744 nan 8.370 nan 0.000 0.477 592 I N 2.094 122.560 120.570 -0.174 0.000 3.006 592 I HA 0.599 4.770 4.170 0.001 0.000 0.306 592 I C -1.633 174.471 176.117 -0.021 0.000 1.250 592 I CA -0.894 60.320 61.300 -0.144 0.000 0.996 592 I CB 1.465 39.322 38.000 -0.238 0.000 1.261 592 I HN 0.507 nan 8.210 nan 0.000 0.442 593 F N 4.836 124.680 119.950 -0.178 0.000 2.664 593 F HA 0.879 5.407 4.527 0.001 0.000 0.317 593 F C -1.494 174.190 175.800 -0.194 0.000 1.108 593 F CA -1.088 56.814 58.000 -0.163 0.000 0.957 593 F CB 1.737 40.658 39.000 -0.130 0.000 1.365 593 F HN 0.343 nan 8.300 nan 0.000 0.475 594 M N 2.968 122.531 119.600 -0.062 0.000 2.221 594 M HA 0.518 4.999 4.480 0.001 0.000 0.259 594 M C -3.099 173.160 176.300 -0.068 0.000 1.001 594 M CA -2.520 52.639 55.300 -0.236 0.000 1.009 594 M CB 1.818 34.297 32.600 -0.203 0.000 1.939 594 M HN 0.332 nan 8.290 nan 0.000 0.477 595 P HA 0.045 nan 4.420 nan 0.000 0.263 595 P C -1.090 176.178 177.300 -0.054 0.000 1.175 595 P CA 0.208 63.276 63.100 -0.053 0.000 0.761 595 P CB 0.421 32.065 31.700 -0.094 0.000 0.794 596 Q N 2.427 122.213 119.800 -0.024 0.000 2.373 596 Q HA 0.063 4.404 4.340 0.001 0.000 0.255 596 Q C 0.012 175.932 176.000 -0.134 0.000 0.980 596 Q CA 0.269 56.058 55.803 -0.024 0.000 0.882 596 Q CB 0.191 28.936 28.738 0.013 0.000 1.249 596 Q HN 0.390 nan 8.270 nan 0.000 0.438 597 D N 0.564 120.800 120.400 -0.274 0.000 2.419 597 D HA -0.090 4.551 4.640 0.001 0.000 0.236 597 D C 0.648 176.368 176.300 -0.966 0.000 1.165 597 D CA 0.226 53.768 54.000 -0.762 0.000 0.882 597 D CB 1.036 40.977 40.800 -1.430 0.000 1.201 597 D HN 0.625 nan 8.370 nan 0.000 0.443 598 S N 1.104 116.302 115.700 -0.838 0.000 2.383 598 S HA -0.177 4.293 4.470 0.001 0.000 0.229 598 S C 1.586 175.993 174.600 -0.322 0.000 1.030 598 S CA 1.400 59.378 58.200 -0.370 0.000 1.002 598 S CB -0.300 62.861 63.200 -0.064 0.000 0.829 598 S HN 0.631 nan 8.310 nan 0.000 0.467 599 W N -0.341 120.836 121.300 -0.205 0.000 2.825 599 W HA 0.289 4.950 4.660 0.001 0.000 0.243 599 W C -0.223 176.166 176.519 -0.217 0.000 1.293 599 W CA -0.601 56.632 57.345 -0.187 0.000 1.403 599 W CB -0.906 28.432 29.460 -0.203 0.000 1.134 599 W HN 0.121 nan 8.180 nan 0.000 0.666 600 Y N 3.412 123.475 120.300 -0.395 0.000 2.570 600 Y HA 0.340 4.891 4.550 0.001 0.000 0.336 600 Y C 0.501 176.327 175.900 -0.124 0.000 1.284 600 Y CA -1.196 56.646 58.100 -0.430 0.000 1.761 600 Y CB -0.856 37.323 38.460 -0.468 0.000 1.724 600 Y HN -0.018 nan 8.280 nan 0.000 0.455 601 R N 0.619 121.240 120.500 0.200 0.000 2.832 601 R HA 0.421 4.762 4.340 0.001 0.000 0.271 601 R C -0.524 175.883 176.300 0.178 0.000 0.996 601 R CA -1.111 55.084 56.100 0.158 0.000 0.977 601 R CB 1.320 31.701 30.300 0.135 0.000 1.168 601 R HN 0.319 nan 8.270 nan 0.000 0.482 602 D N -0.232 120.207 120.400 0.065 0.000 2.529 602 D HA 0.155 4.796 4.640 0.001 0.000 0.273 602 D C 0.570 176.779 176.300 -0.150 0.000 1.197 602 D CA -0.745 53.243 54.000 -0.020 0.000 1.070 602 D CB 0.268 41.049 40.800 -0.032 0.000 1.134 602 D HN 0.219 nan 8.370 nan 0.000 0.590 603 S N -0.775 114.729 115.700 -0.326 0.000 2.390 603 S HA -0.222 4.249 4.470 0.001 0.000 0.234 603 S C 1.807 176.232 174.600 -0.292 0.000 1.063 603 S CA 1.996 59.845 58.200 -0.584 0.000 1.108 603 S CB -0.602 62.329 63.200 -0.448 0.000 0.975 603 S HN 0.542 nan 8.310 nan 0.000 0.442 604 S N 0.964 116.577 115.700 -0.145 0.000 2.603 604 S HA 0.053 4.524 4.470 0.001 0.000 0.229 604 S C 0.838 175.419 174.600 -0.031 0.000 0.972 604 S CA 0.441 58.602 58.200 -0.066 0.000 0.935 604 S CB -0.380 62.798 63.200 -0.036 0.000 0.769 604 S HN 0.613 nan 8.310 nan 0.000 0.536 605 N N 0.975 119.656 118.700 -0.032 0.000 2.776 605 N HA -0.170 4.571 4.740 0.001 0.000 0.250 605 N C -0.870 174.658 175.510 0.030 0.000 1.112 605 N CA 0.845 53.906 53.050 0.019 0.000 0.733 605 N CB -1.419 37.090 38.487 0.035 0.000 1.097 605 N HN 0.435 nan 8.380 nan 0.000 0.558 606 K N 0.202 120.612 120.400 0.017 0.000 2.138 606 K HA 0.410 4.731 4.320 0.001 0.000 0.263 606 K C -0.042 176.576 176.600 0.029 0.000 0.965 606 K CA -1.027 55.273 56.287 0.021 0.000 0.868 606 K CB 1.385 33.892 32.500 0.010 0.000 1.083 606 K HN 0.094 nan 8.250 nan 0.000 0.443 607 L N 3.488 124.728 121.223 0.029 0.000 2.525 607 L HA 0.022 4.363 4.340 0.001 0.000 0.278 607 L C -0.347 176.536 176.870 0.022 0.000 1.218 607 L CA 0.412 55.268 54.840 0.026 0.000 0.878 607 L CB 0.187 42.255 42.059 0.015 0.000 1.127 607 L HN 0.477 nan 8.230 nan 0.000 0.492 608 L N 3.891 125.130 121.223 0.027 0.000 2.559 608 L HA -0.040 4.301 4.340 0.001 0.000 0.282 608 L C 0.756 177.627 176.870 0.002 0.000 1.232 608 L CA -0.019 54.829 54.840 0.012 0.000 0.885 608 L CB 0.024 42.083 42.059 -0.000 0.000 1.131 608 L HN 0.648 nan 8.230 nan 0.000 0.498 609 E N 4.645 124.843 120.200 -0.004 0.000 2.608 609 E HA -0.030 4.321 4.350 0.001 0.000 0.259 609 E C -2.222 174.371 176.600 -0.010 0.000 0.951 609 E CA -0.870 55.522 56.400 -0.012 0.000 0.945 609 E CB 0.394 30.084 29.700 -0.017 0.000 0.916 609 E HN 0.222 nan 8.360 nan 0.000 0.477 610 P HA -0.148 nan 4.420 nan 0.000 0.260 610 P C -0.653 176.666 177.300 0.032 0.000 1.172 610 P CA 0.323 63.440 63.100 0.028 0.000 0.760 610 P CB 0.389 32.134 31.700 0.076 0.000 0.773 611 D N 3.101 123.512 120.400 0.018 0.000 2.548 611 D HA -0.035 4.606 4.640 0.001 0.000 0.231 611 D C -0.005 176.312 176.300 0.029 0.000 1.142 611 D CA 1.111 55.117 54.000 0.009 0.000 0.866 611 D CB 0.492 41.287 40.800 -0.007 0.000 1.190 611 D HN 0.389 nan 8.370 nan 0.000 0.469 612 E N 0.531 120.740 120.200 0.015 0.000 2.388 612 E HA 0.577 4.928 4.350 0.001 0.000 0.281 612 E C -1.355 175.239 176.600 -0.009 0.000 1.046 612 E CA -0.857 55.556 56.400 0.023 0.000 0.825 612 E CB 1.326 31.053 29.700 0.046 0.000 1.243 612 E HN 0.494 nan 8.360 nan 0.000 0.438 613 G N 1.505 110.280 108.800 -0.042 0.000 2.489 613 G HA2 0.442 4.403 3.960 0.001 0.000 0.291 613 G HA3 0.442 4.403 3.960 0.001 0.000 0.291 613 G C -1.932 172.902 174.900 -0.110 0.000 1.487 613 G CA -0.723 44.353 45.100 -0.039 0.000 0.795 613 G HN 0.281 nan 8.290 nan 0.000 0.513 614 Q N -0.174 119.584 119.800 -0.069 0.000 2.342 614 Q HA 0.543 4.884 4.340 0.001 0.000 0.267 614 Q C -0.417 175.456 176.000 -0.212 0.000 1.038 614 Q CA -0.801 54.832 55.803 -0.282 0.000 0.832 614 Q CB 2.175 30.748 28.738 -0.275 0.000 1.323 614 Q HN 0.602 nan 8.270 nan 0.000 0.448 615 N N 1.124 119.603 118.700 -0.369 0.000 2.444 615 N HA 0.346 5.086 4.740 0.001 0.000 0.262 615 N C -1.665 173.698 175.510 -0.245 0.000 0.974 615 N CA -0.288 52.650 53.050 -0.186 0.000 0.933 615 N CB 0.532 38.905 38.487 -0.190 0.000 1.137 615 N HN 0.382 nan 8.380 nan 0.000 0.498 616 Y N 1.655 121.917 120.300 -0.064 0.000 2.335 616 Y HA 0.398 4.949 4.550 0.001 0.000 0.339 616 Y C 0.135 176.053 175.900 0.031 0.000 0.987 616 Y CA -0.697 57.401 58.100 -0.004 0.000 1.140 616 Y CB 1.223 39.668 38.460 -0.025 0.000 1.173 616 Y HN 0.458 nan 8.280 nan 0.000 0.486 617 E N 3.882 124.166 120.200 0.140 0.000 2.304 617 E HA 0.559 4.910 4.350 0.001 0.000 0.277 617 E C -1.837 174.749 176.600 -0.024 0.000 0.898 617 E CA -0.539 55.924 56.400 0.105 0.000 0.764 617 E CB 2.047 31.819 29.700 0.120 0.000 1.216 617 E HN 0.700 nan 8.360 nan 0.000 0.419 618 I N 2.887 123.432 120.570 -0.042 0.000 2.689 618 I HA 0.820 4.990 4.170 0.001 0.000 0.299 618 I C -0.455 175.495 176.117 -0.279 0.000 1.059 618 I CA -0.389 60.780 61.300 -0.218 0.000 1.055 618 I CB 1.986 39.955 38.000 -0.051 0.000 1.243 618 I HN 0.705 nan 8.210 nan 0.000 0.425 619 G N 6.138 114.615 108.800 -0.538 0.000 2.506 619 G HA2 0.411 4.372 3.960 0.001 0.000 0.292 619 G HA3 0.411 4.372 3.960 0.001 0.000 0.292 619 G C -2.294 172.613 174.900 0.012 0.000 1.425 619 G CA -0.539 44.424 45.100 -0.229 0.000 0.788 619 G HN 0.619 nan 8.290 nan 0.000 0.490 620 I N -0.106 120.607 120.570 0.237 0.000 2.465 620 I HA 0.660 4.830 4.170 0.001 0.000 0.291 620 I C -0.959 175.368 176.117 0.351 0.000 1.014 620 I CA -0.999 60.478 61.300 0.294 0.000 1.093 620 I CB 1.769 39.881 38.000 0.188 0.000 1.267 620 I HN 0.391 nan 8.210 nan 0.000 0.431 621 K N 5.292 125.885 120.400 0.322 0.000 2.345 621 K HA 0.562 4.882 4.320 0.001 0.000 0.255 621 K C -0.319 176.344 176.600 0.105 0.000 0.934 621 K CA -0.641 55.767 56.287 0.201 0.000 0.801 621 K CB 2.102 34.652 32.500 0.083 0.000 1.137 621 K HN 0.742 nan 8.250 nan 0.000 0.424 622 G N 1.498 110.315 108.800 0.028 0.000 2.425 622 G HA2 0.369 4.330 3.960 0.001 0.000 0.302 622 G HA3 0.369 4.330 3.960 0.001 0.000 0.302 622 G C -1.115 173.542 174.900 -0.405 0.000 1.159 622 G CA -0.145 44.712 45.100 -0.404 0.000 0.865 622 G HN 0.614 nan 8.290 nan 0.000 0.515 623 E N -0.146 119.538 120.200 -0.859 0.000 2.308 623 E HA 0.575 4.926 4.350 0.001 0.000 0.275 623 E C -1.742 174.395 176.600 -0.771 0.000 0.890 623 E CA -0.721 55.363 56.400 -0.527 0.000 0.754 623 E CB 1.615 31.150 29.700 -0.275 0.000 1.207 623 E HN 0.473 nan 8.360 nan 0.000 0.426 624 Y N 2.535 122.773 120.300 -0.102 0.000 2.588 624 Y HA 0.386 4.937 4.550 0.001 0.000 0.343 624 Y C -0.057 175.811 175.900 -0.053 0.000 1.065 624 Y CA -1.369 56.680 58.100 -0.085 0.000 1.038 624 Y CB 1.360 39.769 38.460 -0.086 0.000 1.297 624 Y HN 0.512 nan 8.280 nan 0.000 0.467 625 L N 2.567 123.861 121.223 0.118 0.000 3.762 625 L HA -0.322 4.019 4.340 0.001 0.000 0.460 625 L C -0.757 176.137 176.870 0.040 0.000 1.255 625 L CA 0.830 55.709 54.840 0.065 0.000 0.783 625 L CB -1.439 40.656 42.059 0.059 0.000 1.600 625 L HN 0.831 nan 8.230 nan 0.000 0.862 626 D N -0.426 119.985 120.400 0.018 0.000 2.699 626 D HA -0.175 4.466 4.640 0.001 0.000 0.239 626 D C 1.238 177.544 176.300 0.009 0.000 1.136 626 D CA 1.780 55.783 54.000 0.005 0.000 0.668 626 D CB -1.142 39.664 40.800 0.010 0.000 1.060 626 D HN 1.064 nan 8.370 nan 0.000 0.429 627 G N -0.124 108.679 108.800 0.006 0.000 2.176 627 G HA2 -0.414 3.547 3.960 0.001 0.000 0.252 627 G HA3 -0.414 3.547 3.960 0.001 0.000 0.252 627 G C 0.994 175.915 174.900 0.036 0.000 1.024 627 G CA 0.760 45.868 45.100 0.014 0.000 0.755 627 G HN 0.515 nan 8.290 nan 0.000 0.507 628 R N -1.578 118.952 120.500 0.048 0.000 2.223 628 R HA 0.464 4.805 4.340 0.001 0.000 0.198 628 R C 0.701 177.030 176.300 0.049 0.000 0.984 628 R CA 0.538 56.666 56.100 0.045 0.000 1.018 628 R CB 0.311 30.633 30.300 0.036 0.000 0.945 628 R HN 0.423 nan 8.270 nan 0.000 0.479 629 L N 0.363 121.638 121.223 0.086 0.000 2.410 629 L HA 0.429 4.770 4.340 0.001 0.000 0.270 629 L C -1.652 175.345 176.870 0.211 0.000 0.983 629 L CA -0.533 54.360 54.840 0.089 0.000 0.822 629 L CB 2.117 44.172 42.059 -0.006 0.000 1.285 629 L HN -0.070 nan 8.230 nan 0.000 0.409 630 N N 1.145 119.933 118.700 0.147 0.000 2.272 630 N HA 0.853 5.593 4.740 0.001 0.000 0.305 630 N C -1.210 174.406 175.510 0.177 0.000 1.103 630 N CA -0.586 52.563 53.050 0.165 0.000 0.791 630 N CB 2.161 40.694 38.487 0.077 0.000 1.356 630 N HN 0.739 nan 8.380 nan 0.000 0.486 631 T N -2.252 112.442 114.554 0.233 0.000 2.907 631 T HA 0.866 5.216 4.350 0.001 0.000 0.290 631 T C -0.812 173.986 174.700 0.163 0.000 1.066 631 T CA -0.828 61.385 62.100 0.188 0.000 1.012 631 T CB 1.431 70.444 68.868 0.243 0.000 1.184 631 T HN 0.510 nan 8.240 nan 0.000 0.522 632 S N 0.210 116.011 115.700 0.169 0.000 2.537 632 S HA 0.686 5.157 4.470 0.001 0.000 0.271 632 S C -1.593 173.133 174.600 0.211 0.000 1.148 632 S CA -1.017 57.299 58.200 0.193 0.000 0.868 632 S CB 1.492 64.787 63.200 0.159 0.000 1.115 632 S HN 1.064 nan 8.310 nan 0.000 0.461 633 L N 1.690 123.056 121.223 0.240 0.000 2.436 633 L HA 0.877 5.218 4.340 0.001 0.000 0.268 633 L C -1.057 175.972 176.870 0.265 0.000 0.974 633 L CA -0.627 54.352 54.840 0.231 0.000 0.826 633 L CB 1.762 43.924 42.059 0.172 0.000 1.291 633 L HN 1.204 nan 8.230 nan 0.000 0.406 634 A N 3.700 126.706 122.820 0.311 0.000 2.422 634 A HA 0.577 4.898 4.320 0.001 0.000 0.302 634 A C -2.247 175.567 177.584 0.383 0.000 1.041 634 A CA -0.384 51.854 52.037 0.334 0.000 0.708 634 A CB 1.485 20.721 19.000 0.393 0.000 1.257 634 A HN 0.645 nan 8.150 nan 0.000 0.414 635 Y N 2.481 122.878 120.300 0.162 0.000 2.360 635 Y HA 0.721 5.271 4.550 0.001 0.000 0.337 635 Y C -0.865 175.118 175.900 0.139 0.000 1.039 635 Y CA -1.125 57.022 58.100 0.078 0.000 1.109 635 Y CB 1.178 39.640 38.460 0.005 0.000 1.201 635 Y HN 0.819 nan 8.280 nan 0.000 0.458 636 F N 1.938 121.499 119.950 -0.648 0.000 2.711 636 F HA 0.759 5.287 4.527 0.001 0.000 0.313 636 F C -1.760 173.775 175.800 -0.443 0.000 1.141 636 F CA -1.324 56.452 58.000 -0.373 0.000 0.941 636 F CB 1.909 40.824 39.000 -0.141 0.000 1.349 636 F HN 0.431 nan 8.300 nan 0.000 0.464 637 E N 1.752 122.056 120.200 0.174 0.000 2.406 637 E HA 0.534 4.885 4.350 0.001 0.000 0.297 637 E C -2.191 174.612 176.600 0.338 0.000 0.917 637 E CA -0.455 56.042 56.400 0.161 0.000 0.795 637 E CB 1.760 31.515 29.700 0.090 0.000 1.285 637 E HN 0.767 nan 8.360 nan 0.000 0.400 638 I N 4.325 125.128 120.570 0.387 0.000 2.378 638 I HA 0.333 4.504 4.170 0.001 0.000 0.291 638 I C -0.376 176.043 176.117 0.504 0.000 0.992 638 I CA -0.696 60.827 61.300 0.372 0.000 1.154 638 I CB 1.385 39.583 38.000 0.331 0.000 1.315 638 I HN 0.503 nan 8.210 nan 0.000 0.448 639 H N 5.563 124.757 119.070 0.207 0.000 2.581 639 H HA 0.294 4.851 4.556 0.001 0.000 0.308 639 H C -0.679 174.731 175.328 0.138 0.000 1.040 639 H CA -0.609 55.541 56.048 0.170 0.000 1.231 639 H CB 1.810 31.692 29.762 0.200 0.000 1.396 639 H HN 0.565 nan 8.280 nan 0.000 0.467 640 E N 3.886 124.227 120.200 0.234 0.000 2.231 640 E HA 0.091 4.442 4.350 0.001 0.000 0.277 640 E C -0.656 176.014 176.600 0.117 0.000 0.999 640 E CA -0.861 55.639 56.400 0.167 0.000 0.827 640 E CB 0.974 30.810 29.700 0.228 0.000 1.101 640 E HN 0.627 nan 8.360 nan 0.000 0.393 641 E N 3.557 123.808 120.200 0.086 0.000 2.312 641 E HA 0.273 4.624 4.350 0.001 0.000 0.267 641 E C -0.534 176.087 176.600 0.036 0.000 0.894 641 E CA -1.027 55.408 56.400 0.058 0.000 0.773 641 E CB 0.891 30.626 29.700 0.059 0.000 1.241 641 E HN 0.621 nan 8.360 nan 0.000 0.432 642 N N 0.704 119.415 118.700 0.018 0.000 2.758 642 N HA -0.209 4.532 4.740 0.001 0.000 0.248 642 N C -0.491 175.006 175.510 -0.021 0.000 1.076 642 N CA 0.766 53.814 53.050 -0.003 0.000 0.696 642 N CB -1.008 37.475 38.487 -0.006 0.000 0.979 642 N HN 0.619 nan 8.380 nan 0.000 0.550 643 R N 0.751 121.245 120.500 -0.009 0.000 2.248 643 R HA 0.443 4.784 4.340 0.001 0.000 0.328 643 R C 0.283 176.534 176.300 -0.082 0.000 1.067 643 R CA -0.137 55.947 56.100 -0.028 0.000 0.924 643 R CB 0.452 30.765 30.300 0.021 0.000 1.013 643 R HN 0.224 nan 8.270 nan 0.000 0.454 644 A N 4.533 127.225 122.820 -0.213 0.000 2.515 644 A HA 0.065 4.385 4.320 0.001 0.000 0.263 644 A C -0.226 177.308 177.584 -0.083 0.000 1.096 644 A CA 0.100 51.969 52.037 -0.281 0.000 0.769 644 A CB 0.259 18.682 19.000 -0.963 0.000 1.040 644 A HN 0.839 nan 8.150 nan 0.000 0.505 645 E N 0.522 120.751 120.200 0.048 0.000 2.339 645 E HA 0.321 4.672 4.350 0.001 0.000 0.262 645 E C 1.019 177.682 176.600 0.106 0.000 0.934 645 E CA -0.274 56.178 56.400 0.087 0.000 0.802 645 E CB 1.093 30.808 29.700 0.026 0.000 1.275 645 E HN 0.664 nan 8.360 nan 0.000 0.427 646 E N 1.366 121.555 120.200 -0.019 0.000 2.106 646 E HA -0.205 4.146 4.350 0.001 0.000 0.192 646 E C -0.447 175.933 176.600 -0.367 0.000 0.984 646 E CA 1.258 57.457 56.400 -0.336 0.000 0.806 646 E CB 0.071 29.628 29.700 -0.238 0.000 0.750 646 E HN 0.533 nan 8.360 nan 0.000 0.458 647 D N -0.823 119.481 120.400 -0.161 0.000 3.293 647 D HA -0.165 4.476 4.640 0.001 0.000 0.252 647 D C 0.288 176.526 176.300 -0.104 0.000 1.073 647 D CA 0.746 54.686 54.000 -0.101 0.000 0.957 647 D CB -1.177 39.576 40.800 -0.078 0.000 0.987 647 D HN 0.315 nan 8.370 nan 0.000 0.422 648 A N 1.892 124.668 122.820 -0.074 0.000 2.015 648 A HA -0.076 4.244 4.320 0.001 0.000 0.219 648 A C 2.123 179.687 177.584 -0.032 0.000 1.163 648 A CA 1.443 53.447 52.037 -0.054 0.000 0.646 648 A CB -0.136 18.847 19.000 -0.028 0.000 0.806 648 A HN 0.508 nan 8.150 nan 0.000 0.448 649 L N -1.339 119.878 121.223 -0.011 0.000 2.005 649 L HA -0.108 4.233 4.340 0.001 0.000 0.207 649 L C 2.229 179.098 176.870 -0.002 0.000 1.072 649 L CA 2.405 57.244 54.840 -0.002 0.000 0.744 649 L CB -1.415 40.653 42.059 0.015 0.000 0.895 649 L HN 0.516 nan 8.230 nan 0.000 0.433 650 Y N 1.022 121.287 120.300 -0.057 0.000 2.097 650 Y HA -0.292 4.259 4.550 0.001 0.000 0.282 650 Y C 2.299 178.166 175.900 -0.054 0.000 1.152 650 Y CA 2.254 60.324 58.100 -0.051 0.000 1.136 650 Y CB -0.523 37.901 38.460 -0.061 0.000 0.975 650 Y HN 0.381 nan 8.280 nan 0.000 0.498 651 N N -0.026 118.628 118.700 -0.077 0.000 2.513 651 N HA -0.145 4.595 4.740 0.001 0.000 0.187 651 N C 1.884 177.327 175.510 -0.112 0.000 1.056 651 N CA 1.299 54.280 53.050 -0.115 0.000 0.907 651 N CB -0.509 37.904 38.487 -0.122 0.000 0.954 651 N HN 0.602 nan 8.380 nan 0.000 0.445 652 S N -0.087 115.539 115.700 -0.123 0.000 2.439 652 S HA -0.003 4.468 4.470 0.001 0.000 0.224 652 S C 0.575 175.106 174.600 -0.115 0.000 1.029 652 S CA 0.184 58.334 58.200 -0.083 0.000 0.946 652 S CB -0.063 63.106 63.200 -0.053 0.000 0.797 652 S HN 0.449 nan 8.310 nan 0.000 0.504 653 K N 1.100 121.384 120.400 -0.193 0.000 2.790 653 K HA 0.411 4.732 4.320 0.001 0.000 0.253 653 K C -3.451 172.919 176.600 -0.384 0.000 1.082 653 K CA -1.685 54.474 56.287 -0.213 0.000 1.067 653 K CB 1.159 33.588 32.500 -0.119 0.000 1.284 653 K HN -0.025 nan 8.250 nan 0.000 0.529 654 P HA -0.075 nan 4.420 nan 0.000 0.265 654 P C 0.226 177.358 177.300 -0.280 0.000 1.187 654 P CA 0.215 62.806 63.100 -0.848 0.000 0.766 654 P CB 1.136 32.610 31.700 -0.376 0.000 0.820 655 T N -2.314 112.227 114.554 -0.020 0.000 2.955 655 T HA 0.057 4.408 4.350 0.001 0.000 0.251 655 T C 0.640 175.441 174.700 0.168 0.000 1.002 655 T CA -0.055 62.107 62.100 0.103 0.000 0.970 655 T CB -0.220 68.724 68.868 0.127 0.000 1.091 655 T HN 0.312 nan 8.240 nan 0.000 0.495 656 N N 3.207 122.088 118.700 0.301 0.000 2.462 656 N HA 0.336 5.077 4.740 0.001 0.000 0.242 656 N C -2.041 173.589 175.510 0.199 0.000 1.010 656 N CA -2.551 50.624 53.050 0.208 0.000 0.939 656 N CB 1.821 40.396 38.487 0.147 0.000 1.127 656 N HN -0.025 nan 8.380 nan 0.000 0.509 657 P HA -0.008 nan 4.420 nan 0.000 0.226 657 P C 0.909 178.273 177.300 0.106 0.000 1.153 657 P CA 0.540 63.704 63.100 0.106 0.000 0.777 657 P CB 0.155 31.899 31.700 0.074 0.000 0.794 658 A N -0.079 122.800 122.820 0.100 0.000 1.927 658 A HA -0.134 4.187 4.320 0.001 0.000 0.220 658 A C 1.366 179.021 177.584 0.118 0.000 1.185 658 A CA 1.312 53.406 52.037 0.093 0.000 0.639 658 A CB -1.058 17.986 19.000 0.074 0.000 0.820 658 A HN 0.337 nan 8.150 nan 0.000 0.451 659 I N -1.117 119.541 120.570 0.147 0.000 2.497 659 I HA 0.258 4.428 4.170 0.001 0.000 0.284 659 I C 0.285 176.576 176.117 0.290 0.000 1.060 659 I CA -0.208 61.205 61.300 0.188 0.000 1.071 659 I CB 1.950 40.035 38.000 0.142 0.000 1.216 659 I HN 0.050 nan 8.210 nan 0.000 0.442 660 T N 6.108 120.820 114.554 0.264 0.000 3.107 660 T HA 0.104 4.455 4.350 0.001 0.000 0.249 660 T C -0.544 174.355 174.700 0.331 0.000 1.096 660 T CA 0.618 62.871 62.100 0.254 0.000 1.012 660 T CB -0.343 68.621 68.868 0.160 0.000 0.977 660 T HN 0.474 nan 8.240 nan 0.000 0.527 661 Y N 1.716 122.133 120.300 0.195 0.000 2.379 661 Y HA 0.568 5.119 4.550 0.001 0.000 0.342 661 Y C -0.564 175.422 175.900 0.143 0.000 1.126 661 Y CA -1.499 56.681 58.100 0.133 0.000 1.310 661 Y CB 0.196 38.701 38.460 0.075 0.000 1.115 661 Y HN 0.114 nan 8.280 nan 0.000 0.505 662 A N 3.608 126.342 122.820 -0.144 0.000 2.248 662 A HA 0.842 5.162 4.320 0.001 0.000 0.316 662 A C -1.815 175.560 177.584 -0.348 0.000 1.101 662 A CA -0.293 51.691 52.037 -0.088 0.000 0.875 662 A CB 0.795 19.685 19.000 -0.184 0.000 1.207 662 A HN 0.649 nan 8.150 nan 0.000 0.504 663 Y N -0.646 119.622 120.300 -0.053 0.000 2.634 663 Y HA 0.581 5.132 4.550 0.001 0.000 0.340 663 Y C 0.221 176.091 175.900 -0.049 0.000 1.058 663 Y CA -0.685 57.396 58.100 -0.031 0.000 1.081 663 Y CB 2.080 40.588 38.460 0.080 0.000 1.295 663 Y HN 0.741 nan 8.280 nan 0.000 0.487 664 K N -0.216 120.250 120.400 0.110 0.000 2.469 664 K HA 0.809 5.130 4.320 0.001 0.000 0.254 664 K C -0.795 175.821 176.600 0.027 0.000 0.939 664 K CA -1.175 55.136 56.287 0.040 0.000 0.812 664 K CB 2.223 34.727 32.500 0.006 0.000 1.301 664 K HN 0.782 nan 8.250 nan 0.000 0.433 665 G N 3.597 112.401 108.800 0.006 0.000 2.350 665 G HA2 0.464 4.424 3.960 0.001 0.000 0.306 665 G HA3 0.464 4.424 3.960 0.001 0.000 0.306 665 G C 0.060 174.958 174.900 -0.003 0.000 1.094 665 G CA -0.899 44.196 45.100 -0.009 0.000 0.953 665 G HN 0.715 nan 8.290 nan 0.000 0.420 666 I N -0.956 119.613 120.570 -0.003 0.000 3.205 666 I HA 0.718 4.888 4.170 0.001 0.000 0.310 666 I C -0.176 175.947 176.117 0.010 0.000 1.089 666 I CA -1.415 59.886 61.300 0.002 0.000 1.023 666 I CB 1.824 39.822 38.000 -0.002 0.000 1.269 666 I HN 0.160 nan 8.210 nan 0.000 0.512 667 K N 1.367 121.772 120.400 0.009 0.000 2.090 667 K HA 0.792 5.113 4.320 0.001 0.000 0.249 667 K C -0.694 175.914 176.600 0.013 0.000 0.995 667 K CA -0.669 55.628 56.287 0.017 0.000 0.914 667 K CB 1.610 34.111 32.500 0.002 0.000 1.057 667 K HN 0.820 nan 8.250 nan 0.000 0.462 668 A N 1.246 124.084 122.820 0.030 0.000 2.609 668 A HA 0.597 4.918 4.320 0.001 0.000 0.291 668 A C -1.649 175.950 177.584 0.024 0.000 1.096 668 A CA -0.700 51.345 52.037 0.015 0.000 0.684 668 A CB 1.700 20.714 19.000 0.023 0.000 1.282 668 A HN 0.601 nan 8.150 nan 0.000 0.412 669 K N 0.158 120.554 120.400 -0.006 0.000 2.464 669 K HA 0.666 4.986 4.320 0.001 0.000 0.253 669 K C -1.504 175.118 176.600 0.037 0.000 0.933 669 K CA -0.269 56.019 56.287 0.002 0.000 0.801 669 K CB 2.229 34.655 32.500 -0.122 0.000 1.271 669 K HN 0.701 nan 8.250 nan 0.000 0.430 670 T N 3.212 117.841 114.554 0.126 0.000 2.792 670 T HA 0.381 4.731 4.350 0.001 0.000 0.280 670 T C -1.037 173.715 174.700 0.088 0.000 0.990 670 T CA -0.626 61.533 62.100 0.099 0.000 0.960 670 T CB 1.148 70.142 68.868 0.209 0.000 0.939 670 T HN 0.370 nan 8.240 nan 0.000 0.439 671 K N 1.591 121.983 120.400 -0.013 0.000 2.376 671 K HA 0.757 5.078 4.320 0.001 0.000 0.257 671 K C -0.025 176.411 176.600 -0.274 0.000 0.939 671 K CA -0.479 55.741 56.287 -0.111 0.000 0.809 671 K CB 1.991 34.516 32.500 0.041 0.000 1.121 671 K HN 0.830 nan 8.250 nan 0.000 0.425 672 G N 1.389 109.698 108.800 -0.819 0.000 2.550 672 G HA2 0.460 4.421 3.960 0.001 0.000 0.293 672 G HA3 0.460 4.421 3.960 0.001 0.000 0.293 672 G C -2.103 172.091 174.900 -1.177 0.000 1.402 672 G CA -0.739 43.834 45.100 -0.879 0.000 0.784 672 G HN 0.460 nan 8.290 nan 0.000 0.482 673 Y N -1.650 118.415 120.300 -0.391 0.000 2.634 673 Y HA 0.890 5.440 4.550 0.001 0.000 0.340 673 Y C -0.528 175.574 175.900 0.338 0.000 1.058 673 Y CA -1.584 56.510 58.100 -0.009 0.000 1.081 673 Y CB 2.265 40.837 38.460 0.188 0.000 1.295 673 Y HN 0.669 nan 8.280 nan 0.000 0.487 674 E N 1.019 121.541 120.200 0.537 0.000 2.349 674 E HA 0.662 5.013 4.350 0.001 0.000 0.290 674 E C -1.895 174.922 176.600 0.362 0.000 0.901 674 E CA -0.677 55.976 56.400 0.421 0.000 0.800 674 E CB 1.431 31.352 29.700 0.368 0.000 1.303 674 E HN 1.053 nan 8.360 nan 0.000 0.397 675 A N 4.482 127.514 122.820 0.353 0.000 2.305 675 A HA 0.681 5.001 4.320 0.001 0.000 0.322 675 A C -0.595 177.109 177.584 0.200 0.000 1.187 675 A CA -0.483 51.708 52.037 0.257 0.000 0.825 675 A CB 0.782 19.913 19.000 0.218 0.000 1.164 675 A HN 0.658 nan 8.150 nan 0.000 0.498 676 E N 1.465 121.758 120.200 0.156 0.000 2.408 676 E HA 0.729 5.080 4.350 0.001 0.000 0.275 676 E C -1.540 175.115 176.600 0.092 0.000 0.935 676 E CA -0.713 55.756 56.400 0.114 0.000 0.775 676 E CB 2.033 31.787 29.700 0.090 0.000 1.277 676 E HN 0.541 nan 8.360 nan 0.000 0.455 677 I N 1.066 121.675 120.570 0.066 0.000 2.582 677 I HA 0.461 4.632 4.170 0.001 0.000 0.292 677 I C -1.612 174.529 176.117 0.041 0.000 1.066 677 I CA -0.329 60.995 61.300 0.040 0.000 1.053 677 I CB 1.881 39.878 38.000 -0.006 0.000 1.241 677 I HN 0.812 nan 8.210 nan 0.000 0.421 678 S N 4.679 120.404 115.700 0.042 0.000 2.541 678 S HA 1.003 5.474 4.470 0.001 0.000 0.271 678 S C -0.279 174.349 174.600 0.047 0.000 1.133 678 S CA -0.124 58.116 58.200 0.065 0.000 0.876 678 S CB 1.633 64.883 63.200 0.084 0.000 1.105 678 S HN 1.545 nan 8.310 nan 0.000 0.470 679 G N 1.364 110.200 108.800 0.061 0.000 2.384 679 G HA2 -0.017 3.944 3.960 0.001 0.000 0.200 679 G HA3 -0.017 3.944 3.960 0.001 0.000 0.200 679 G C -0.888 173.970 174.900 -0.070 0.000 1.205 679 G CA -0.300 44.816 45.100 0.026 0.000 1.116 679 G HN 1.082 nan 8.290 nan 0.000 0.547 680 E N 0.260 120.420 120.200 -0.067 0.000 2.180 680 E HA 0.430 4.781 4.350 0.001 0.000 0.283 680 E C 0.869 177.366 176.600 -0.171 0.000 1.061 680 E CA -0.615 55.730 56.400 -0.092 0.000 0.861 680 E CB 0.629 30.311 29.700 -0.031 0.000 1.056 680 E HN 0.351 nan 8.360 nan 0.000 0.407 681 L N 4.259 125.311 121.223 -0.284 0.000 2.446 681 L HA 0.326 4.667 4.340 0.001 0.000 0.219 681 L C 0.197 176.935 176.870 -0.220 0.000 1.116 681 L CA 0.992 55.566 54.840 -0.443 0.000 0.844 681 L CB -0.098 41.329 42.059 -1.053 0.000 0.970 681 L HN 0.674 nan 8.230 nan 0.000 0.457 682 A N -2.887 119.918 122.820 -0.025 0.000 2.522 682 A HA 0.470 4.791 4.320 0.001 0.000 0.294 682 A C -2.215 175.467 177.584 0.162 0.000 1.001 682 A CA -0.588 51.518 52.037 0.116 0.000 0.642 682 A CB -0.393 18.776 19.000 0.281 0.000 1.326 682 A HN -0.128 nan 8.150 nan 0.000 0.435 683 P HA -0.125 nan 4.420 nan 0.000 0.217 683 P C 1.198 178.578 177.300 0.133 0.000 1.158 683 P CA 2.547 65.717 63.100 0.116 0.000 0.887 683 P CB 0.247 32.004 31.700 0.095 0.000 0.792 684 G N -3.618 105.316 108.800 0.223 0.000 3.707 684 G HA2 0.130 4.091 3.960 0.001 0.000 0.286 684 G HA3 0.130 4.091 3.960 0.001 0.000 0.286 684 G C -1.123 173.966 174.900 0.315 0.000 1.112 684 G CA -0.121 45.072 45.100 0.156 0.000 0.861 684 G HN 0.115 nan 8.290 nan 0.000 0.534 685 W N 1.760 123.109 121.300 0.082 0.000 2.543 685 W HA 0.550 5.211 4.660 0.001 0.000 0.318 685 W C -0.941 175.517 176.519 -0.102 0.000 1.002 685 W CA -1.522 55.846 57.345 0.038 0.000 1.302 685 W CB 1.099 30.524 29.460 -0.058 0.000 1.299 685 W HN -0.091 nan 8.180 nan 0.000 0.424 686 Q N 4.047 123.866 119.800 0.032 0.000 2.274 686 Q HA 0.648 4.989 4.340 0.001 0.000 0.260 686 Q C -0.319 175.536 176.000 -0.241 0.000 0.974 686 Q CA -0.736 54.866 55.803 -0.335 0.000 0.876 686 Q CB 2.773 30.965 28.738 -0.911 0.000 1.297 686 Q HN 0.392 nan 8.270 nan 0.000 0.446 687 V N -0.725 119.118 119.914 -0.117 0.000 3.001 687 V HA 0.668 4.789 4.120 0.001 0.000 0.314 687 V C -0.827 175.437 176.094 0.283 0.000 1.099 687 V CA -1.022 61.335 62.300 0.094 0.000 0.989 687 V CB 2.119 33.909 31.823 -0.055 0.000 1.040 687 V HN 0.787 nan 8.190 nan 0.000 0.434 688 Q N 1.275 121.259 119.800 0.307 0.000 2.275 688 Q HA 0.789 5.130 4.340 0.001 0.000 0.266 688 Q C -1.070 175.001 176.000 0.118 0.000 1.002 688 Q CA -0.343 55.574 55.803 0.190 0.000 0.761 688 Q CB 1.830 30.671 28.738 0.171 0.000 1.255 688 Q HN 1.405 nan 8.270 nan 0.000 0.446 689 A N 2.301 125.160 122.820 0.064 0.000 2.469 689 A HA 1.043 5.364 4.320 0.001 0.000 0.299 689 A C -0.702 176.916 177.584 0.056 0.000 1.098 689 A CA -0.164 51.894 52.037 0.035 0.000 0.737 689 A CB 2.063 21.072 19.000 0.015 0.000 1.312 689 A HN 0.800 nan 8.150 nan 0.000 0.414 690 G N -1.284 107.556 108.800 0.067 0.000 2.623 690 G HA2 0.567 4.527 3.960 0.001 0.000 0.290 690 G HA3 0.567 4.527 3.960 0.001 0.000 0.290 690 G C -2.236 172.763 174.900 0.164 0.000 1.437 690 G CA -0.375 44.789 45.100 0.106 0.000 0.798 690 G HN 1.411 nan 8.290 nan 0.000 0.488 691 Y N 0.269 120.607 120.300 0.063 0.000 2.433 691 Y HA 0.714 5.264 4.550 0.001 0.000 0.337 691 Y C -0.729 175.214 175.900 0.071 0.000 1.026 691 Y CA -0.628 57.514 58.100 0.071 0.000 1.037 691 Y CB 2.400 40.918 38.460 0.097 0.000 1.245 691 Y HN 0.605 nan 8.280 nan 0.000 0.443 692 T N 5.402 119.697 114.554 -0.432 0.000 2.881 692 T HA 0.288 4.639 4.350 0.001 0.000 0.290 692 T C -1.928 172.544 174.700 -0.379 0.000 1.000 692 T CA -0.542 61.428 62.100 -0.218 0.000 0.978 692 T CB 0.839 69.629 68.868 -0.130 0.000 0.997 692 T HN 0.670 nan 8.240 nan 0.000 0.443 693 H N 2.289 121.114 119.070 -0.408 0.000 2.524 693 H HA 0.733 5.290 4.556 0.001 0.000 0.353 693 H C -0.675 174.489 175.328 -0.272 0.000 1.136 693 H CA -0.631 55.142 56.048 -0.459 0.000 1.193 693 H CB 0.979 30.187 29.762 -0.924 0.000 1.558 693 H HN 0.657 nan 8.280 nan 0.000 0.515 694 K N 3.962 123.840 120.400 -0.871 0.000 2.568 694 K HA 0.518 4.839 4.320 0.001 0.000 0.273 694 K C -2.100 174.173 176.600 -0.545 0.000 0.951 694 K CA -0.700 55.263 56.287 -0.540 0.000 0.854 694 K CB 1.269 33.639 32.500 -0.217 0.000 1.424 694 K HN 0.480 nan 8.250 nan 0.000 0.427 695 I N 2.890 123.272 120.570 -0.313 0.000 2.571 695 I HA 0.428 4.599 4.170 0.001 0.000 0.289 695 I C -1.108 174.926 176.117 -0.138 0.000 1.115 695 I CA -0.935 60.247 61.300 -0.196 0.000 1.045 695 I CB 1.876 39.819 38.000 -0.094 0.000 1.238 695 I HN 0.747 nan 8.210 nan 0.000 0.424 696 I N 6.609 127.081 120.570 -0.163 0.000 2.378 696 I HA 0.523 4.694 4.170 0.001 0.000 0.291 696 I C -0.736 175.310 176.117 -0.118 0.000 0.992 696 I CA -0.378 60.834 61.300 -0.146 0.000 1.154 696 I CB 0.861 38.712 38.000 -0.249 0.000 1.315 696 I HN 0.650 nan 8.210 nan 0.000 0.448 697 R N 5.018 125.472 120.500 -0.077 0.000 2.686 697 R HA 0.453 4.793 4.340 0.001 0.000 0.286 697 R C -1.041 175.228 176.300 -0.050 0.000 0.969 697 R CA -1.093 54.972 56.100 -0.057 0.000 0.898 697 R CB 1.182 31.461 30.300 -0.035 0.000 1.183 697 R HN 0.476 nan 8.270 nan 0.000 0.456 698 D N 1.602 121.976 120.400 -0.044 0.000 2.461 698 D HA -0.132 4.509 4.640 0.001 0.000 0.231 698 D C 0.951 177.232 176.300 -0.031 0.000 1.208 698 D CA 0.636 54.616 54.000 -0.032 0.000 0.879 698 D CB 0.484 41.267 40.800 -0.028 0.000 1.220 698 D HN 0.537 nan 8.370 nan 0.000 0.480 699 D N 0.350 120.734 120.400 -0.026 0.000 2.412 699 D HA -0.258 4.383 4.640 0.001 0.000 0.191 699 D C 1.728 178.013 176.300 -0.024 0.000 1.019 699 D CA 2.484 56.469 54.000 -0.025 0.000 0.866 699 D CB -0.419 40.371 40.800 -0.017 0.000 0.966 699 D HN 0.451 nan 8.370 nan 0.000 0.459 700 S N -0.988 114.700 115.700 -0.021 0.000 2.595 700 S HA 0.106 4.577 4.470 0.001 0.000 0.235 700 S C 1.650 176.238 174.600 -0.019 0.000 0.974 700 S CA 1.344 59.532 58.200 -0.020 0.000 0.942 700 S CB 0.008 63.196 63.200 -0.020 0.000 0.766 700 S HN 0.565 nan 8.310 nan 0.000 0.536 701 G N 1.475 110.262 108.800 -0.022 0.000 2.155 701 G HA2 -0.349 3.612 3.960 0.001 0.000 0.257 701 G HA3 -0.349 3.612 3.960 0.001 0.000 0.257 701 G C -0.078 174.814 174.900 -0.012 0.000 0.983 701 G CA 0.474 45.563 45.100 -0.018 0.000 0.676 701 G HN 1.006 nan 8.290 nan 0.000 0.528 702 K N 0.591 120.981 120.400 -0.016 0.000 2.218 702 K HA 0.572 4.893 4.320 0.001 0.000 0.276 702 K C 0.550 177.142 176.600 -0.012 0.000 1.022 702 K CA -0.631 55.650 56.287 -0.010 0.000 0.946 702 K CB 0.834 33.322 32.500 -0.020 0.000 1.000 702 K HN 0.128 nan 8.250 nan 0.000 0.468 703 K N 1.693 122.100 120.400 0.012 0.000 2.276 703 K HA 0.238 4.558 4.320 0.001 0.000 0.259 703 K C -0.877 175.690 176.600 -0.056 0.000 1.001 703 K CA -0.452 55.830 56.287 -0.007 0.000 0.927 703 K CB 1.224 33.768 32.500 0.072 0.000 0.969 703 K HN 0.394 nan 8.250 nan 0.000 0.490 704 V N 0.754 120.592 119.914 -0.127 0.000 3.087 704 V HA 0.084 4.204 4.120 0.001 0.000 0.306 704 V C -1.017 174.927 176.094 -0.250 0.000 1.187 704 V CA -0.710 61.495 62.300 -0.158 0.000 0.999 704 V CB 2.213 33.956 31.823 -0.133 0.000 1.049 704 V HN 0.975 nan 8.190 nan 0.000 0.431 705 S N 0.999 116.560 115.700 -0.231 0.000 3.447 705 S HA -0.206 4.265 4.470 0.001 0.000 0.371 705 S C 1.293 175.622 174.600 -0.450 0.000 0.951 705 S CA 1.117 59.136 58.200 -0.300 0.000 1.269 705 S CB -1.348 61.616 63.200 -0.394 0.000 0.919 705 S HN 1.423 nan 8.310 nan 0.000 0.516 706 T N -2.632 111.637 114.554 -0.475 0.000 2.995 706 T HA -0.100 4.251 4.350 0.001 0.000 0.269 706 T C 1.212 175.414 174.700 -0.830 0.000 1.091 706 T CA 0.828 62.386 62.100 -0.903 0.000 1.128 706 T CB -0.348 67.727 68.868 -1.321 0.000 0.891 706 T HN 0.772 nan 8.240 nan 0.000 0.492 707 W N 2.043 122.972 121.300 -0.618 0.000 2.467 707 W HA 0.135 4.796 4.660 0.001 0.000 0.275 707 W C 0.724 176.993 176.519 -0.416 0.000 1.239 707 W CA 0.323 57.436 57.345 -0.387 0.000 1.266 707 W CB 0.134 29.502 29.460 -0.155 0.000 1.112 707 W HN 0.369 nan 8.180 nan 0.000 0.576 708 E N 2.744 122.516 120.200 -0.714 0.000 2.223 708 E HA 0.111 4.461 4.350 0.001 0.000 0.282 708 E C -2.146 174.077 176.600 -0.628 0.000 1.046 708 E CA -2.164 53.735 56.400 -0.835 0.000 0.857 708 E CB 1.029 29.999 29.700 -1.216 0.000 1.055 708 E HN -0.168 nan 8.360 nan 0.000 0.409 709 P HA -0.066 nan 4.420 nan 0.000 0.270 709 P C -0.174 176.881 177.300 -0.408 0.000 1.223 709 P CA 0.293 63.117 63.100 -0.460 0.000 0.785 709 P CB 0.714 32.109 31.700 -0.509 0.000 0.923 710 Q N -0.231 119.379 119.800 -0.317 0.000 2.302 710 Q HA 0.060 4.401 4.340 0.001 0.000 0.202 710 Q C -0.014 175.813 176.000 -0.288 0.000 0.936 710 Q CA 0.924 56.541 55.803 -0.311 0.000 0.886 710 Q CB 0.301 28.929 28.738 -0.183 0.000 0.986 710 Q HN 0.556 nan 8.270 nan 0.000 0.487 711 D N 1.041 121.290 120.400 -0.251 0.000 2.498 711 D HA 0.216 4.856 4.640 0.001 0.000 0.247 711 D C -0.601 175.408 176.300 -0.484 0.000 1.070 711 D CA -0.162 53.690 54.000 -0.247 0.000 0.842 711 D CB 1.767 42.641 40.800 0.123 0.000 1.361 711 D HN 0.081 nan 8.370 nan 0.000 0.484 712 Q N 0.524 120.000 119.800 -0.541 0.000 2.534 712 Q HA 0.731 5.072 4.340 0.001 0.000 0.290 712 Q C -1.885 173.849 176.000 -0.444 0.000 0.991 712 Q CA -1.155 54.364 55.803 -0.474 0.000 0.783 712 Q CB 2.629 31.111 28.738 -0.426 0.000 1.470 712 Q HN 0.320 nan 8.270 nan 0.000 0.406 713 L N 0.262 121.385 121.223 -0.167 0.000 2.526 713 L HA 0.741 5.081 4.340 0.001 0.000 0.263 713 L C -1.875 174.978 176.870 -0.029 0.000 0.943 713 L CA 0.117 54.967 54.840 0.017 0.000 0.859 713 L CB 2.773 44.966 42.059 0.224 0.000 1.313 713 L HN 0.808 nan 8.230 nan 0.000 0.406 714 S N 5.024 120.706 115.700 -0.031 0.000 2.541 714 S HA 0.841 5.312 4.470 0.001 0.000 0.280 714 S C -1.383 173.108 174.600 -0.183 0.000 1.112 714 S CA -0.566 57.552 58.200 -0.137 0.000 0.925 714 S CB 1.923 65.068 63.200 -0.092 0.000 1.067 714 S HN 0.795 nan 8.310 nan 0.000 0.479 715 L N 2.930 123.895 121.223 -0.430 0.000 2.470 715 L HA 0.687 5.027 4.340 0.001 0.000 0.268 715 L C -2.254 174.177 176.870 -0.731 0.000 0.964 715 L CA -0.496 54.136 54.840 -0.347 0.000 0.839 715 L CB 1.179 43.161 42.059 -0.127 0.000 1.276 715 L HN 0.734 nan 8.230 nan 0.000 0.403 716 Y N 2.529 122.835 120.300 0.010 0.000 2.442 716 Y HA 0.729 5.280 4.550 0.001 0.000 0.344 716 Y C 0.019 176.080 175.900 0.268 0.000 0.976 716 Y CA -0.661 57.450 58.100 0.019 0.000 1.040 716 Y CB 2.603 40.848 38.460 -0.358 0.000 1.228 716 Y HN 0.513 nan 8.280 nan 0.000 0.451 717 T N 1.727 116.635 114.554 0.589 0.000 2.923 717 T HA 0.732 5.083 4.350 0.001 0.000 0.311 717 T C -1.290 173.747 174.700 0.562 0.000 1.183 717 T CA -0.563 61.850 62.100 0.522 0.000 1.020 717 T CB 0.919 70.044 68.868 0.428 0.000 1.165 717 T HN 0.759 nan 8.240 nan 0.000 0.482 718 S N 2.572 118.504 115.700 0.387 0.000 2.627 718 S HA 0.816 5.286 4.470 0.001 0.000 0.283 718 S C -1.867 172.870 174.600 0.228 0.000 1.127 718 S CA -0.817 57.543 58.200 0.266 0.000 0.863 718 S CB 1.941 65.271 63.200 0.216 0.000 1.121 718 S HN 0.805 nan 8.310 nan 0.000 0.479 719 Y N 0.749 120.988 120.300 -0.102 0.000 2.396 719 Y HA 0.522 5.073 4.550 0.002 0.000 0.332 719 Y C -1.073 174.632 175.900 -0.325 0.000 1.034 719 Y CA -0.999 56.932 58.100 -0.282 0.000 1.057 719 Y CB 1.612 39.708 38.460 -0.607 0.000 1.220 719 Y HN 0.747 nan 8.280 nan 0.000 0.440 720 K N 6.949 126.962 120.400 -0.645 0.000 2.263 720 K HA 0.222 4.543 4.320 0.001 0.000 0.282 720 K C -0.868 175.148 176.600 -0.973 0.000 1.089 720 K CA -0.220 55.717 56.287 -0.583 0.000 0.907 720 K CB 0.027 32.364 32.500 -0.271 0.000 1.148 720 K HN 0.588 nan 8.250 nan 0.000 0.470 721 F N 1.938 121.457 119.950 -0.719 0.000 2.539 721 F HA 0.037 4.565 4.527 0.001 0.000 0.340 721 F C 1.463 177.085 175.800 -0.296 0.000 1.185 721 F CA 0.588 58.266 58.000 -0.537 0.000 1.333 721 F CB 0.455 39.289 39.000 -0.277 0.000 1.152 721 F HN 0.141 nan 8.300 nan 0.000 0.602 722 K N 0.589 121.012 120.400 0.039 0.000 2.221 722 K HA 0.561 4.882 4.320 0.001 0.000 0.243 722 K C 0.561 177.183 176.600 0.038 0.000 0.968 722 K CA -0.049 56.249 56.287 0.018 0.000 0.846 722 K CB 1.733 34.249 32.500 0.027 0.000 1.141 722 K HN 0.792 nan 8.250 nan 0.000 0.434 723 G N 1.158 109.966 108.800 0.015 0.000 2.536 723 G HA2 -0.425 3.535 3.960 0.001 0.000 0.280 723 G HA3 -0.425 3.535 3.960 0.001 0.000 0.280 723 G C 0.925 175.824 174.900 -0.000 0.000 1.152 723 G CA 0.509 45.615 45.100 0.010 0.000 0.970 723 G HN 0.678 nan 8.290 nan 0.000 0.549 724 A N -0.507 122.312 122.820 -0.003 0.000 1.948 724 A HA 0.204 4.525 4.320 0.001 0.000 0.220 724 A C 2.174 179.746 177.584 -0.019 0.000 1.177 724 A CA 2.265 54.295 52.037 -0.012 0.000 0.636 724 A CB -0.344 18.645 19.000 -0.018 0.000 0.815 724 A HN 1.119 nan 8.150 nan 0.000 0.449 725 L N 0.445 121.640 121.223 -0.047 0.000 3.034 725 L HA 0.143 4.484 4.340 0.001 0.000 0.245 725 L C 0.374 177.217 176.870 -0.045 0.000 1.295 725 L CA 0.062 54.853 54.840 -0.082 0.000 1.068 725 L CB 0.263 42.136 42.059 -0.310 0.000 1.426 725 L HN 0.435 nan 8.230 nan 0.000 0.531 726 D N -1.541 118.834 120.400 -0.041 0.000 2.349 726 D HA -0.111 4.529 4.640 0.001 0.000 0.224 726 D C 1.489 177.703 176.300 -0.144 0.000 1.029 726 D CA 0.357 54.324 54.000 -0.056 0.000 0.879 726 D CB 0.326 41.100 40.800 -0.042 0.000 0.906 726 D HN -0.013 nan 8.370 nan 0.000 0.528 727 K N -0.581 119.659 120.400 -0.268 0.000 2.400 727 K HA 0.235 4.555 4.320 0.001 0.000 0.194 727 K C 0.001 176.192 176.600 -0.682 0.000 1.033 727 K CA -0.142 55.806 56.287 -0.565 0.000 1.021 727 K CB 0.162 32.134 32.500 -0.879 0.000 0.808 727 K HN 0.144 nan 8.250 nan 0.000 0.505 728 L N 1.108 122.135 121.223 -0.326 0.000 2.265 728 L HA 0.315 4.655 4.340 0.001 0.000 0.288 728 L C -0.882 176.058 176.870 0.116 0.000 1.058 728 L CA 0.291 55.121 54.840 -0.015 0.000 0.809 728 L CB 1.118 43.265 42.059 0.148 0.000 1.179 728 L HN -0.085 nan 8.230 nan 0.000 0.429 729 T N 4.750 119.339 114.554 0.057 0.000 2.794 729 T HA 0.611 4.961 4.350 0.001 0.000 0.280 729 T C -0.531 174.221 174.700 0.087 0.000 0.987 729 T CA -0.336 61.780 62.100 0.026 0.000 0.993 729 T CB 1.464 70.315 68.868 -0.028 0.000 0.939 729 T HN 0.397 nan 8.240 nan 0.000 0.449 730 V N 2.340 122.302 119.914 0.081 0.000 2.628 730 V HA 0.943 5.064 4.120 0.001 0.000 0.306 730 V C 0.393 176.527 176.094 0.066 0.000 1.045 730 V CA -0.226 62.142 62.300 0.113 0.000 0.905 730 V CB 2.042 34.010 31.823 0.241 0.000 0.997 730 V HN 1.082 nan 8.190 nan 0.000 0.436 731 G N 1.699 110.538 108.800 0.065 0.000 2.649 731 G HA2 0.852 4.813 3.960 0.001 0.000 0.290 731 G HA3 0.852 4.813 3.960 0.001 0.000 0.290 731 G C -0.619 174.392 174.900 0.186 0.000 1.426 731 G CA -0.039 45.132 45.100 0.118 0.000 0.794 731 G HN 1.307 nan 8.290 nan 0.000 0.483 732 G N -2.248 106.796 108.800 0.407 0.000 2.320 732 G HA2 0.831 4.792 3.960 0.001 0.000 0.296 732 G HA3 0.831 4.792 3.960 0.001 0.000 0.296 732 G C -0.504 174.730 174.900 0.557 0.000 1.306 732 G CA 0.456 45.836 45.100 0.467 0.000 0.836 732 G HN 2.164 nan 8.290 nan 0.000 0.517 733 G N -1.871 107.157 108.800 0.381 0.000 2.387 733 G HA2 0.844 4.804 3.960 0.001 0.000 0.294 733 G HA3 0.844 4.804 3.960 0.001 0.000 0.294 733 G C -1.184 173.698 174.900 -0.030 0.000 1.509 733 G CA 0.547 45.687 45.100 0.066 0.000 0.806 733 G HN 2.150 nan 8.290 nan 0.000 0.546 734 A N 0.241 122.889 122.820 -0.287 0.000 2.455 734 A HA 0.906 5.227 4.320 0.001 0.000 0.300 734 A C -0.358 177.150 177.584 -0.126 0.000 1.040 734 A CA -0.601 51.419 52.037 -0.029 0.000 0.697 734 A CB 1.951 21.032 19.000 0.135 0.000 1.265 734 A HN 0.922 nan 8.150 nan 0.000 0.407 735 R N 0.936 121.454 120.500 0.030 0.000 2.668 735 R HA 0.642 4.982 4.340 0.001 0.000 0.279 735 R C -1.659 174.646 176.300 0.008 0.000 0.976 735 R CA -0.475 55.603 56.100 -0.037 0.000 0.978 735 R CB 1.420 31.660 30.300 -0.101 0.000 1.133 735 R HN 0.842 nan 8.270 nan 0.000 0.484 736 W N 4.174 125.210 121.300 -0.440 0.000 3.127 736 W HA 0.282 4.942 4.660 0.001 0.000 0.330 736 W C -1.724 174.382 176.519 -0.688 0.000 1.187 736 W CA -0.442 56.401 57.345 -0.838 0.000 1.198 736 W CB 1.427 29.912 29.460 -1.626 0.000 1.408 736 W HN 0.646 nan 8.180 nan 0.000 0.529 737 Q N 3.818 122.570 119.800 -1.746 0.000 2.495 737 Q HA 0.785 5.126 4.340 0.001 0.000 0.287 737 Q C -0.272 174.340 176.000 -2.313 0.000 1.078 737 Q CA -1.047 53.678 55.803 -1.797 0.000 0.793 737 Q CB 2.159 30.273 28.738 -1.040 0.000 1.459 737 Q HN 0.666 nan 8.270 nan 0.000 0.422 738 G N 0.924 108.760 108.800 -1.607 0.000 2.510 738 G HA2 0.280 4.241 3.960 0.001 0.000 0.280 738 G HA3 0.280 4.241 3.960 0.001 0.000 0.280 738 G C -0.730 173.943 174.900 -0.379 0.000 1.386 738 G CA -0.951 43.666 45.100 -0.805 0.000 1.047 738 G HN 0.548 nan 8.290 nan 0.000 0.527 739 K N -0.109 120.235 120.400 -0.095 0.000 2.543 739 K HA 0.165 4.486 4.320 0.001 0.000 0.279 739 K C 0.412 177.042 176.600 0.050 0.000 1.001 739 K CA 0.750 57.076 56.287 0.064 0.000 1.088 739 K CB 0.224 32.834 32.500 0.184 0.000 0.863 739 K HN 0.597 nan 8.250 nan 0.000 0.488 740 S N 2.285 118.006 115.700 0.035 0.000 2.632 740 S HA 0.801 5.272 4.470 0.001 0.000 0.289 740 S C -1.393 173.407 174.600 0.334 0.000 1.115 740 S CA -1.101 57.078 58.200 -0.036 0.000 0.889 740 S CB 1.227 64.127 63.200 -0.499 0.000 1.116 740 S HN 0.752 nan 8.310 nan 0.000 0.486 741 W N -0.228 121.207 121.300 0.225 0.000 2.988 741 W HA 0.821 5.482 4.660 0.001 0.000 0.355 741 W C -1.856 174.896 176.519 0.388 0.000 1.233 741 W CA -0.759 56.809 57.345 0.372 0.000 1.176 741 W CB 0.821 30.396 29.460 0.191 0.000 1.477 741 W HN 0.653 nan 8.180 nan 0.000 0.582 742 Q N 1.486 121.580 119.800 0.489 0.000 2.345 742 Q HA 0.447 4.788 4.340 0.001 0.000 0.275 742 Q C -1.416 174.819 176.000 0.392 0.000 1.063 742 Q CA -1.050 54.900 55.803 0.244 0.000 0.819 742 Q CB 2.494 31.203 28.738 -0.048 0.000 1.356 742 Q HN 0.634 nan 8.270 nan 0.000 0.418 743 M N 2.616 122.413 119.600 0.328 0.000 2.063 743 M HA 0.402 4.883 4.480 0.001 0.000 0.348 743 M C -0.869 175.726 176.300 0.492 0.000 1.180 743 M CA -0.976 54.544 55.300 0.366 0.000 1.059 743 M CB 0.634 33.349 32.600 0.191 0.000 1.544 743 M HN 0.379 nan 8.290 nan 0.000 0.447 744 V N 3.396 123.676 119.914 0.611 0.000 2.680 744 V HA 0.570 4.691 4.120 0.001 0.000 0.309 744 V C -1.468 174.898 176.094 0.454 0.000 1.052 744 V CA -0.939 61.687 62.300 0.543 0.000 0.908 744 V CB 1.853 33.888 31.823 0.352 0.000 1.001 744 V HN 0.693 nan 8.190 nan 0.000 0.431 745 Y N 4.538 124.757 120.300 -0.134 0.000 2.477 745 Y HA 0.421 4.972 4.550 0.001 0.000 0.349 745 Y C 0.731 176.447 175.900 -0.306 0.000 0.977 745 Y CA -0.461 57.239 58.100 -0.665 0.000 1.214 745 Y CB 0.576 38.332 38.460 -1.174 0.000 1.124 745 Y HN 0.940 nan 8.280 nan 0.000 0.521 746 N N 5.681 123.966 118.700 -0.692 0.000 2.406 746 N HA -0.115 4.626 4.740 0.001 0.000 0.274 746 N C 0.847 175.719 175.510 -1.062 0.000 1.249 746 N CA 0.541 52.934 53.050 -1.095 0.000 0.951 746 N CB 0.026 37.758 38.487 -1.258 0.000 1.241 746 N HN 0.873 nan 8.380 nan 0.000 0.485 747 N N 4.702 123.004 118.700 -0.663 0.000 2.058 747 N HA -0.056 4.685 4.740 0.001 0.000 0.191 747 N C -1.206 174.069 175.510 -0.392 0.000 1.037 747 N CA 1.113 53.923 53.050 -0.401 0.000 0.848 747 N CB -0.489 37.917 38.487 -0.135 0.000 1.021 747 N HN 0.452 nan 8.380 nan 0.000 0.422 748 P HA -0.049 nan 4.420 nan 0.000 0.222 748 P C 0.651 177.760 177.300 -0.319 0.000 1.147 748 P CA 1.291 64.203 63.100 -0.314 0.000 0.790 748 P CB -0.048 31.471 31.700 -0.301 0.000 0.780 749 R N -1.559 118.683 120.500 -0.429 0.000 2.432 749 R HA 0.261 4.602 4.340 0.001 0.000 0.260 749 R C 0.119 176.193 176.300 -0.378 0.000 0.935 749 R CA -0.049 55.835 56.100 -0.361 0.000 1.080 749 R CB -0.054 30.028 30.300 -0.363 0.000 1.155 749 R HN -0.080 nan 8.270 nan 0.000 0.531 750 S N 1.730 117.140 115.700 -0.484 0.000 3.527 750 S HA -0.189 4.281 4.470 0.001 0.000 0.409 750 S C -0.492 173.813 174.600 -0.492 0.000 0.900 750 S CA 1.132 59.066 58.200 -0.443 0.000 1.320 750 S CB -0.912 62.190 63.200 -0.162 0.000 0.915 750 S HN 0.636 nan 8.310 nan 0.000 0.575 751 R N -1.394 118.557 120.500 -0.915 0.000 2.687 751 R HA 0.532 4.873 4.340 0.001 0.000 0.265 751 R C -1.233 174.738 176.300 -0.549 0.000 1.048 751 R CA -1.266 54.542 56.100 -0.486 0.000 0.884 751 R CB 0.384 30.529 30.300 -0.258 0.000 1.258 751 R HN 0.162 nan 8.270 nan 0.000 0.469 752 W N 1.083 122.369 121.300 -0.023 0.000 2.161 752 W HA 0.420 5.080 4.660 0.001 0.000 0.344 752 W C 0.138 176.651 176.519 -0.010 0.000 1.262 752 W CA 0.085 57.463 57.345 0.055 0.000 1.270 752 W CB 0.799 30.336 29.460 0.129 0.000 1.126 752 W HN 0.454 nan 8.180 nan 0.000 0.598 753 E N 0.859 121.245 120.200 0.309 0.000 2.308 753 E HA 0.160 4.511 4.350 0.001 0.000 0.275 753 E C -1.291 175.393 176.600 0.140 0.000 0.890 753 E CA -1.232 55.236 56.400 0.113 0.000 0.754 753 E CB 2.064 31.790 29.700 0.044 0.000 1.207 753 E HN 0.206 nan 8.360 nan 0.000 0.426 754 K N 3.143 123.543 120.400 -0.001 0.000 2.276 754 K HA 0.279 4.600 4.320 0.001 0.000 0.285 754 K C -1.330 175.221 176.600 -0.082 0.000 1.062 754 K CA -0.178 56.140 56.287 0.051 0.000 0.918 754 K CB 0.368 32.853 32.500 -0.026 0.000 1.055 754 K HN 0.266 nan 8.250 nan 0.000 0.477 755 F N 2.472 122.510 119.950 0.146 0.000 2.405 755 F HA 0.263 4.791 4.527 0.001 0.000 0.355 755 F C 0.271 176.193 175.800 0.204 0.000 1.121 755 F CA -0.205 57.852 58.000 0.097 0.000 1.112 755 F CB 1.858 40.848 39.000 -0.016 0.000 1.126 755 F HN 0.393 nan 8.300 nan 0.000 0.481 756 S N 2.321 118.199 115.700 0.296 0.000 2.509 756 S HA 0.395 4.866 4.470 0.001 0.000 0.297 756 S C -0.757 174.042 174.600 0.331 0.000 1.118 756 S CA -0.648 57.747 58.200 0.325 0.000 1.074 756 S CB 1.544 64.852 63.200 0.180 0.000 1.038 756 S HN 0.488 nan 8.310 nan 0.000 0.498 757 Q N 2.704 122.718 119.800 0.356 0.000 2.394 757 Q HA 0.269 4.610 4.340 0.001 0.000 0.259 757 Q C -0.752 175.356 176.000 0.180 0.000 1.021 757 Q CA -0.337 55.627 55.803 0.269 0.000 0.805 757 Q CB 0.393 29.262 28.738 0.218 0.000 1.226 757 Q HN 0.622 nan 8.270 nan 0.000 0.476 758 E N 2.417 122.722 120.200 0.175 0.000 2.436 758 E HA -0.014 4.337 4.350 0.001 0.000 0.262 758 E C -0.189 176.505 176.600 0.156 0.000 1.063 758 E CA 0.167 56.657 56.400 0.151 0.000 0.944 758 E CB 0.394 30.188 29.700 0.157 0.000 0.950 758 E HN 0.687 nan 8.360 nan 0.000 0.444 759 D N 1.970 122.423 120.400 0.088 0.000 2.571 759 D HA -0.126 4.515 4.640 0.001 0.000 0.231 759 D C -0.588 175.775 176.300 0.106 0.000 1.133 759 D CA 0.531 54.500 54.000 -0.052 0.000 0.862 759 D CB 0.195 41.056 40.800 0.100 0.000 1.179 759 D HN 0.425 nan 8.370 nan 0.000 0.474 760 Y N -1.264 118.844 120.300 -0.321 0.000 2.597 760 Y HA 0.630 5.181 4.550 0.001 0.000 0.340 760 Y C -1.869 173.944 175.900 -0.146 0.000 1.097 760 Y CA -1.886 56.145 58.100 -0.114 0.000 1.037 760 Y CB 0.602 39.001 38.460 -0.101 0.000 1.305 760 Y HN 0.320 nan 8.280 nan 0.000 0.463 761 W N 2.719 124.092 121.300 0.121 0.000 2.551 761 W HA 0.764 5.425 4.660 0.001 0.000 0.330 761 W C -1.212 175.339 176.519 0.053 0.000 1.063 761 W CA -0.818 56.560 57.345 0.055 0.000 1.222 761 W CB 1.893 31.423 29.460 0.117 0.000 1.349 761 W HN 0.446 nan 8.180 nan 0.000 0.536 762 L N 3.903 125.268 121.223 0.237 0.000 2.298 762 L HA 0.504 4.845 4.340 0.001 0.000 0.284 762 L C -0.494 176.548 176.870 0.287 0.000 1.013 762 L CA -1.034 53.951 54.840 0.242 0.000 0.824 762 L CB 0.872 43.008 42.059 0.130 0.000 1.221 762 L HN 0.074 nan 8.230 nan 0.000 0.418 763 V N 2.002 122.115 119.914 0.332 0.000 2.472 763 V HA 0.392 4.513 4.120 0.001 0.000 0.290 763 V C -0.542 175.695 176.094 0.239 0.000 1.037 763 V CA -0.610 61.861 62.300 0.285 0.000 0.908 763 V CB 1.797 33.827 31.823 0.345 0.000 0.985 763 V HN 0.785 nan 8.190 nan 0.000 0.454 764 D N 3.720 124.284 120.400 0.274 0.000 2.490 764 D HA 0.738 5.379 4.640 0.001 0.000 0.232 764 D C -0.789 175.676 176.300 0.275 0.000 1.053 764 D CA -0.646 53.516 54.000 0.270 0.000 0.914 764 D CB 1.931 42.928 40.800 0.329 0.000 1.431 764 D HN 0.325 nan 8.370 nan 0.000 0.483 765 L N 0.166 121.490 121.223 0.169 0.000 2.323 765 L HA 0.699 5.040 4.340 0.001 0.000 0.265 765 L C -0.592 176.301 176.870 0.037 0.000 1.012 765 L CA -1.051 53.855 54.840 0.109 0.000 0.820 765 L CB 2.033 44.109 42.059 0.028 0.000 1.334 765 L HN 0.417 nan 8.230 nan 0.000 0.427 766 M N 2.119 121.712 119.600 -0.012 0.000 2.414 766 M HA 0.743 5.224 4.480 0.001 0.000 0.287 766 M C -2.307 173.947 176.300 -0.077 0.000 1.181 766 M CA -0.314 54.911 55.300 -0.126 0.000 0.933 766 M CB 2.258 34.647 32.600 -0.352 0.000 1.732 766 M HN 0.683 nan 8.290 nan 0.000 0.486 767 A N 4.264 127.036 122.820 -0.079 0.000 2.488 767 A HA 0.803 5.124 4.320 0.001 0.000 0.295 767 A C -1.622 175.958 177.584 -0.007 0.000 1.045 767 A CA -0.739 51.292 52.037 -0.011 0.000 0.703 767 A CB 1.755 20.773 19.000 0.030 0.000 1.271 767 A HN 0.914 nan 8.150 nan 0.000 0.400 768 R N 1.532 122.047 120.500 0.025 0.000 2.561 768 R HA 0.627 4.968 4.340 0.001 0.000 0.297 768 R C -2.219 174.135 176.300 0.090 0.000 0.969 768 R CA -0.477 55.645 56.100 0.037 0.000 0.879 768 R CB 1.418 31.711 30.300 -0.012 0.000 1.178 768 R HN 0.785 nan 8.270 nan 0.000 0.445 769 Y N 2.541 122.839 120.300 -0.002 0.000 2.331 769 Y HA 0.203 4.753 4.550 0.001 0.000 0.334 769 Y C -0.396 175.505 175.900 0.001 0.000 0.960 769 Y CA -0.626 57.473 58.100 -0.001 0.000 1.130 769 Y CB 2.001 40.458 38.460 -0.006 0.000 1.164 769 Y HN 0.573 nan 8.280 nan 0.000 0.458 770 Q N 5.728 125.340 119.800 -0.313 0.000 3.254 770 Q HA 0.217 4.558 4.340 0.001 0.000 0.315 770 Q C 0.515 176.482 176.000 -0.055 0.000 1.405 770 Q CA 0.467 56.175 55.803 -0.158 0.000 0.966 770 Q CB -0.729 27.886 28.738 -0.206 0.000 1.706 770 Q HN 0.922 nan 8.270 nan 0.000 0.525 771 I N -1.148 119.539 120.570 0.196 0.000 2.181 771 I HA -0.316 3.854 4.170 0.001 0.000 0.247 771 I C 1.139 177.321 176.117 0.108 0.000 1.081 771 I CA 1.383 62.828 61.300 0.243 0.000 1.340 771 I CB -0.400 37.695 38.000 0.159 0.000 1.036 771 I HN 0.299 nan 8.210 nan 0.000 0.417 772 T N -1.400 113.188 114.554 0.057 0.000 2.864 772 T HA 0.207 4.557 4.350 0.001 0.000 0.289 772 T C 0.097 174.814 174.700 0.028 0.000 1.082 772 T CA -0.564 61.556 62.100 0.033 0.000 1.009 772 T CB 1.715 70.593 68.868 0.017 0.000 1.234 772 T HN -0.019 nan 8.240 nan 0.000 0.526 773 D N 0.551 120.970 120.400 0.032 0.000 2.178 773 D HA -0.049 4.592 4.640 0.001 0.000 0.201 773 D C 1.514 177.859 176.300 0.075 0.000 0.980 773 D CA 0.987 55.011 54.000 0.041 0.000 0.842 773 D CB 0.247 41.072 40.800 0.042 0.000 0.948 773 D HN 0.153 nan 8.370 nan 0.000 0.472 774 K N -0.555 119.909 120.400 0.108 0.000 2.367 774 K HA 0.294 4.615 4.320 0.001 0.000 0.195 774 K C 0.051 176.774 176.600 0.205 0.000 1.060 774 K CA -0.162 56.251 56.287 0.208 0.000 1.022 774 K CB 0.878 33.575 32.500 0.330 0.000 0.894 774 K HN 0.142 nan 8.250 nan 0.000 0.540 775 L N 1.666 122.949 121.223 0.099 0.000 2.376 775 L HA 0.308 4.648 4.340 0.001 0.000 0.275 775 L C -0.748 176.165 176.870 0.070 0.000 0.987 775 L CA -0.226 54.663 54.840 0.082 0.000 0.828 775 L CB 1.766 43.827 42.059 0.003 0.000 1.249 775 L HN 0.107 nan 8.230 nan 0.000 0.409 776 S N 3.449 119.196 115.700 0.077 0.000 2.600 776 S HA 0.971 5.441 4.470 0.001 0.000 0.300 776 S C -0.717 173.934 174.600 0.085 0.000 1.087 776 S CA -0.482 57.760 58.200 0.070 0.000 0.965 776 S CB 2.125 65.344 63.200 0.032 0.000 1.089 776 S HN 0.835 nan 8.310 nan 0.000 0.496 777 A N 1.592 124.474 122.820 0.102 0.000 2.353 777 A HA 0.773 5.094 4.320 0.001 0.000 0.299 777 A C -0.311 177.329 177.584 0.092 0.000 1.089 777 A CA -0.705 51.394 52.037 0.104 0.000 0.736 777 A CB 1.161 20.229 19.000 0.112 0.000 1.195 777 A HN 0.856 nan 8.150 nan 0.000 0.447 778 S N 0.299 116.035 115.700 0.060 0.000 2.621 778 S HA 0.791 5.262 4.470 0.001 0.000 0.302 778 S C -0.649 173.917 174.600 -0.056 0.000 1.093 778 S CA -0.753 57.448 58.200 0.003 0.000 1.017 778 S CB 1.898 65.078 63.200 -0.033 0.000 1.077 778 S HN 1.482 nan 8.310 nan 0.000 0.517 779 V N 1.564 121.387 119.914 -0.152 0.000 2.686 779 V HA 0.605 4.726 4.120 0.001 0.000 0.306 779 V C -1.886 174.020 176.094 -0.314 0.000 1.065 779 V CA -0.649 61.418 62.300 -0.389 0.000 0.894 779 V CB 1.945 33.478 31.823 -0.484 0.000 1.004 779 V HN 0.928 nan 8.190 nan 0.000 0.424 780 N N 3.944 122.435 118.700 -0.348 0.000 2.354 780 N HA 0.701 5.441 4.740 0.001 0.000 0.287 780 N C -1.213 174.175 175.510 -0.204 0.000 1.016 780 N CA -0.372 52.553 53.050 -0.209 0.000 0.871 780 N CB 2.281 40.691 38.487 -0.129 0.000 1.299 780 N HN 0.527 nan 8.380 nan 0.000 0.482 781 V N 2.280 122.123 119.914 -0.118 0.000 2.417 781 V HA 0.505 4.626 4.120 0.001 0.000 0.291 781 V C -0.458 175.648 176.094 0.021 0.000 1.024 781 V CA -0.869 61.386 62.300 -0.077 0.000 0.861 781 V CB 1.277 33.048 31.823 -0.087 0.000 0.985 781 V HN 0.623 nan 8.190 nan 0.000 0.436 782 N N 3.649 122.376 118.700 0.045 0.000 2.314 782 N HA 0.325 5.066 4.740 0.001 0.000 0.304 782 N C 0.059 175.650 175.510 0.135 0.000 1.073 782 N CA -0.544 52.584 53.050 0.130 0.000 0.822 782 N CB 1.365 39.947 38.487 0.159 0.000 1.280 782 N HN 0.767 nan 8.380 nan 0.000 0.489 783 N N 0.815 119.626 118.700 0.185 0.000 2.696 783 N HA -0.158 4.583 4.740 0.001 0.000 0.256 783 N C 0.373 175.956 175.510 0.121 0.000 1.031 783 N CA 0.217 53.390 53.050 0.205 0.000 0.730 783 N CB -1.110 37.527 38.487 0.249 0.000 0.894 783 N HN 0.378 nan 8.380 nan 0.000 0.544 784 V N -0.129 119.805 119.914 0.032 0.000 2.453 784 V HA -0.235 3.886 4.120 0.001 0.000 0.252 784 V C 1.625 177.545 176.094 -0.291 0.000 1.068 784 V CA 2.127 64.309 62.300 -0.196 0.000 1.070 784 V CB -0.602 30.981 31.823 -0.401 0.000 0.664 784 V HN 0.479 nan 8.190 nan 0.000 0.461 785 F N -0.326 119.685 119.950 0.101 0.000 2.660 785 F HA 0.289 4.817 4.527 0.001 0.000 0.297 785 F C 1.082 176.945 175.800 0.104 0.000 1.132 785 F CA -0.343 57.713 58.000 0.094 0.000 1.372 785 F CB -0.600 38.457 39.000 0.095 0.000 1.003 785 F HN 0.116 nan 8.300 nan 0.000 0.524 786 D N 1.332 121.853 120.400 0.201 0.000 2.782 786 D HA -0.290 4.351 4.640 0.001 0.000 0.230 786 D C 0.468 176.886 176.300 0.197 0.000 1.165 786 D CA 0.577 54.679 54.000 0.171 0.000 0.664 786 D CB -0.648 40.226 40.800 0.123 0.000 1.056 786 D HN 0.098 nan 8.370 nan 0.000 0.423 787 K N 0.418 120.981 120.400 0.271 0.000 2.491 787 K HA 0.065 4.386 4.320 0.001 0.000 0.279 787 K C -0.082 176.681 176.600 0.271 0.000 1.026 787 K CA 0.513 56.966 56.287 0.278 0.000 1.070 787 K CB 0.370 33.065 32.500 0.325 0.000 0.887 787 K HN 0.196 nan 8.250 nan 0.000 0.481 788 T N 4.083 118.737 114.554 0.167 0.000 2.795 788 T HA 0.592 4.943 4.350 0.001 0.000 0.282 788 T C -0.838 173.908 174.700 0.077 0.000 0.980 788 T CA -0.428 61.702 62.100 0.049 0.000 1.012 788 T CB 0.213 69.040 68.868 -0.067 0.000 0.936 788 T HN 0.547 nan 8.240 nan 0.000 0.457 789 Y N 1.276 121.458 120.300 -0.197 0.000 2.725 789 Y HA 0.699 5.249 4.550 0.001 0.000 0.333 789 Y C -2.262 173.421 175.900 -0.361 0.000 1.242 789 Y CA -2.016 55.873 58.100 -0.352 0.000 1.059 789 Y CB 0.807 38.897 38.460 -0.617 0.000 1.306 789 Y HN 0.577 nan 8.280 nan 0.000 0.454 790 Y N 0.159 120.504 120.300 0.074 0.000 2.409 790 Y HA 0.499 5.050 4.550 0.001 0.000 0.339 790 Y C 0.884 176.951 175.900 0.279 0.000 1.033 790 Y CA -0.197 57.946 58.100 0.072 0.000 1.094 790 Y CB 2.535 41.094 38.460 0.165 0.000 1.210 790 Y HN 0.763 nan 8.280 nan 0.000 0.456 791 T N -2.393 112.368 114.554 0.345 0.000 3.044 791 T HA 0.227 4.578 4.350 0.001 0.000 0.260 791 T C -0.154 174.825 174.700 0.465 0.000 1.019 791 T CA -0.190 62.162 62.100 0.420 0.000 0.921 791 T CB -0.251 68.738 68.868 0.202 0.000 1.053 791 T HN 0.533 nan 8.240 nan 0.000 0.533 792 N N 0.168 119.017 118.700 0.248 0.000 2.452 792 N HA 0.516 5.257 4.740 0.001 0.000 0.277 792 N C -2.102 173.090 175.510 -0.529 0.000 1.078 792 N CA -0.761 52.148 53.050 -0.236 0.000 0.947 792 N CB 1.408 39.767 38.487 -0.213 0.000 1.655 792 N HN 0.241 nan 8.380 nan 0.000 0.490 793 I N 2.469 122.428 120.570 -1.019 0.000 2.610 793 I HA 0.588 4.759 4.170 0.001 0.000 0.289 793 I C 0.794 176.463 176.117 -0.747 0.000 1.163 793 I CA -0.270 60.495 61.300 -0.892 0.000 1.044 793 I CB 1.997 39.446 38.000 -0.918 0.000 1.251 793 I HN 0.945 nan 8.210 nan 0.000 0.424 794 G N 5.260 113.726 108.800 -0.557 0.000 2.376 794 G HA2 -0.276 3.685 3.960 0.001 0.000 0.208 794 G HA3 -0.276 3.685 3.960 0.001 0.000 0.208 794 G C 0.130 174.901 174.900 -0.215 0.000 1.032 794 G CA -0.418 44.478 45.100 -0.341 0.000 0.641 794 G HN 0.482 nan 8.290 nan 0.000 0.503 795 F N 3.217 122.970 119.950 -0.330 0.000 2.538 795 F HA 0.467 4.995 4.527 0.001 0.000 0.382 795 F C 1.011 176.746 175.800 -0.108 0.000 1.069 795 F CA -0.040 57.834 58.000 -0.210 0.000 1.138 795 F CB -0.666 38.276 39.000 -0.096 0.000 1.068 795 F HN 0.408 nan 8.300 nan 0.000 0.556 796 Y N 3.839 123.726 120.300 -0.689 0.000 3.001 796 Y HA -0.311 4.240 4.550 0.001 0.000 0.207 796 Y C 1.137 176.823 175.900 -0.355 0.000 1.231 796 Y CA 0.880 58.638 58.100 -0.570 0.000 1.024 796 Y CB -2.467 35.528 38.460 -0.775 0.000 1.267 796 Y HN 0.791 nan 8.280 nan 0.000 0.501 797 T N -0.884 113.561 114.554 -0.181 0.000 3.795 797 T HA -0.150 4.200 4.350 0.001 0.000 0.370 797 T C 0.300 174.834 174.700 -0.277 0.000 0.761 797 T CA 0.958 62.949 62.100 -0.181 0.000 1.923 797 T CB -1.376 67.457 68.868 -0.058 0.000 1.795 797 T HN 1.010 nan 8.240 nan 0.000 0.762 798 S N -1.243 114.261 115.700 -0.326 0.000 2.811 798 S HA 0.957 5.428 4.470 0.001 0.000 0.311 798 S C -0.613 173.628 174.600 -0.599 0.000 1.152 798 S CA -0.482 57.472 58.200 -0.411 0.000 0.864 798 S CB 2.582 65.638 63.200 -0.239 0.000 1.226 798 S HN 1.298 nan 8.310 nan 0.000 0.541 799 A N 0.195 122.518 122.820 -0.828 0.000 2.539 799 A HA 0.865 5.185 4.320 0.001 0.000 0.296 799 A C -0.796 176.335 177.584 -0.755 0.000 1.073 799 A CA -0.715 50.803 52.037 -0.865 0.000 0.700 799 A CB 1.649 20.026 19.000 -1.038 0.000 1.296 799 A HN 0.895 nan 8.150 nan 0.000 0.405 800 S N -0.089 115.390 115.700 -0.368 0.000 2.541 800 S HA 0.639 5.110 4.470 0.001 0.000 0.280 800 S C -1.439 173.103 174.600 -0.096 0.000 1.112 800 S CA -0.292 57.811 58.200 -0.162 0.000 0.925 800 S CB 0.813 63.977 63.200 -0.059 0.000 1.067 800 S HN 0.477 nan 8.310 nan 0.000 0.479 801 Y N 1.362 121.719 120.300 0.095 0.000 2.304 801 Y HA 0.501 5.052 4.550 0.001 0.000 0.327 801 Y C 1.292 177.053 175.900 -0.233 0.000 1.209 801 Y CA 0.035 58.057 58.100 -0.129 0.000 1.299 801 Y CB 0.475 38.907 38.460 -0.048 0.000 1.249 801 Y HN 0.803 nan 8.280 nan 0.000 0.519 802 G N 1.098 109.593 108.800 -0.507 0.000 2.572 802 G HA2 0.165 4.126 3.960 0.001 0.000 0.261 802 G HA3 0.165 4.126 3.960 0.001 0.000 0.261 802 G C -1.019 173.601 174.900 -0.466 0.000 1.197 802 G CA -0.799 43.913 45.100 -0.646 0.000 0.870 802 G HN 0.621 nan 8.290 nan 0.000 0.548 803 D N 1.586 121.862 120.400 -0.207 0.000 2.458 803 D HA 0.275 4.916 4.640 0.001 0.000 0.243 803 D C -1.834 174.333 176.300 -0.222 0.000 1.146 803 D CA -0.038 53.760 54.000 -0.336 0.000 0.877 803 D CB 0.811 41.655 40.800 0.074 0.000 1.176 803 D HN 0.071 nan 8.370 nan 0.000 0.461 804 P HA -0.025 nan 4.420 nan 0.000 0.270 804 P C -0.041 177.367 177.300 0.180 0.000 1.227 804 P CA -0.408 62.659 63.100 -0.055 0.000 0.788 804 P CB 0.477 32.156 31.700 -0.036 0.000 0.926 805 R N 1.989 122.578 120.500 0.149 0.000 2.478 805 R HA -0.110 4.231 4.340 0.001 0.000 0.281 805 R C -0.163 176.173 176.300 0.061 0.000 0.939 805 R CA 1.020 57.185 56.100 0.107 0.000 1.120 805 R CB -0.814 29.521 30.300 0.059 0.000 0.885 805 R HN 0.698 nan 8.270 nan 0.000 0.415 806 N N 2.450 121.145 118.700 -0.007 0.000 2.416 806 N HA 0.482 5.222 4.740 0.001 0.000 0.276 806 N C -1.790 173.636 175.510 -0.140 0.000 1.261 806 N CA -0.959 51.967 53.050 -0.207 0.000 0.790 806 N CB 1.248 39.635 38.487 -0.167 0.000 1.554 806 N HN 0.209 nan 8.380 nan 0.000 0.481 807 L N 0.015 121.125 121.223 -0.187 0.000 2.319 807 L HA 0.711 5.052 4.340 0.001 0.000 0.267 807 L C -0.759 176.027 176.870 -0.141 0.000 1.011 807 L CA -0.758 53.983 54.840 -0.166 0.000 0.818 807 L CB 1.836 43.815 42.059 -0.133 0.000 1.316 807 L HN 0.770 nan 8.230 nan 0.000 0.432 808 M N 2.050 121.521 119.600 -0.215 0.000 2.204 808 M HA 0.596 5.077 4.480 0.001 0.000 0.293 808 M C -1.845 174.299 176.300 -0.259 0.000 0.994 808 M CA -0.264 54.963 55.300 -0.122 0.000 0.925 808 M CB 1.183 33.746 32.600 -0.060 0.000 1.577 808 M HN 0.214 nan 8.290 nan 0.000 0.439 809 F N 2.125 122.056 119.950 -0.032 0.000 2.421 809 F HA 0.758 5.286 4.527 0.001 0.000 0.337 809 F C 0.425 176.233 175.800 0.013 0.000 1.105 809 F CA -0.344 57.649 58.000 -0.011 0.000 1.049 809 F CB 1.940 40.932 39.000 -0.014 0.000 1.139 809 F HN 0.589 nan 8.300 nan 0.000 0.479 810 S N 1.022 116.819 115.700 0.162 0.000 2.540 810 S HA 0.786 5.256 4.470 0.001 0.000 0.275 810 S C -1.130 173.539 174.600 0.116 0.000 1.123 810 S CA -0.484 57.783 58.200 0.111 0.000 0.907 810 S CB 1.368 64.596 63.200 0.047 0.000 1.081 810 S HN 0.599 nan 8.310 nan 0.000 0.476 811 T N 3.449 118.075 114.554 0.120 0.000 2.937 811 T HA 0.497 4.848 4.350 0.001 0.000 0.297 811 T C -0.773 174.008 174.700 0.136 0.000 0.991 811 T CA -0.651 61.522 62.100 0.121 0.000 0.990 811 T CB 1.287 70.232 68.868 0.127 0.000 0.991 811 T HN 0.591 nan 8.240 nan 0.000 0.440 812 R N 2.031 122.605 120.500 0.123 0.000 2.480 812 R HA 0.496 4.836 4.340 0.001 0.000 0.306 812 R C -1.692 174.732 176.300 0.207 0.000 0.958 812 R CA -0.796 55.386 56.100 0.138 0.000 0.861 812 R CB 1.166 31.492 30.300 0.044 0.000 1.171 812 R HN 0.639 nan 8.270 nan 0.000 0.445 813 W N 5.604 126.917 121.300 0.022 0.000 2.329 813 W HA 0.349 5.010 4.660 0.000 0.000 0.312 813 W C -1.419 175.032 176.519 -0.114 0.000 1.054 813 W CA -1.304 56.046 57.345 0.010 0.000 1.245 813 W CB 0.813 30.324 29.460 0.085 0.000 1.255 813 W HN 0.608 nan 8.180 nan 0.000 0.436 814 D N 6.084 126.548 120.400 0.107 0.000 2.177 814 D HA 0.414 5.055 4.640 0.001 0.000 0.247 814 D C -0.269 175.904 176.300 -0.211 0.000 1.063 814 D CA 0.065 53.922 54.000 -0.239 0.000 0.867 814 D CB 0.951 41.702 40.800 -0.082 0.000 1.168 814 D HN 0.088 nan 8.370 nan 0.000 0.445 815 F N 0.000 119.876 119.950 -0.124 0.000 2.286 815 F HA 0.000 4.528 4.527 0.002 0.000 0.279 815 F CA 0.000 58.005 58.000 0.009 0.000 1.383 815 F CB 0.000 38.956 39.000 -0.073 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574