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 2w78_1_A DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVAEAADS SVDLGATMIT SNQLGTITED 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 0.000 176.036 176.000 0.061 0.000 1.003 44 Q CA 0.000 55.830 55.803 0.044 0.000 1.022 44 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 45 E N 0.431 120.669 120.200 0.062 0.000 2.404 45 E HA 0.371 4.713 4.350 -0.013 0.000 0.261 45 E C -1.245 175.392 176.600 0.063 0.000 1.074 45 E CA 0.014 56.461 56.400 0.079 0.000 0.917 45 E CB 0.933 30.675 29.700 0.069 0.000 0.965 45 E HN 0.250 nan 8.360 nan 0.000 0.433 46 V N 2.529 122.490 119.914 0.078 0.000 3.012 46 V HA 0.118 4.230 4.120 -0.013 0.000 0.307 46 V C -0.991 175.057 176.094 -0.076 0.000 1.166 46 V CA -0.861 61.402 62.300 -0.062 0.000 0.974 46 V CB 2.114 33.802 31.823 -0.225 0.000 1.040 46 V HN 0.653 nan 8.190 nan 0.000 0.428 47 E N 2.342 122.437 120.200 -0.175 0.000 1.932 47 E HA 0.435 4.777 4.350 -0.013 0.000 0.275 47 E C -1.249 175.225 176.600 -0.211 0.000 1.159 47 E CA 0.126 56.466 56.400 -0.100 0.000 0.905 47 E CB 0.151 29.818 29.700 -0.055 0.000 1.059 47 E HN 0.379 nan 8.360 nan 0.000 0.400 48 F N 2.069 121.996 119.950 -0.038 0.000 2.399 48 F HA 0.349 4.868 4.527 -0.013 0.000 0.328 48 F C 0.594 176.387 175.800 -0.013 0.000 1.084 48 F CA -0.493 57.477 58.000 -0.049 0.000 1.053 48 F CB 1.354 40.334 39.000 -0.034 0.000 1.209 48 F HN 0.243 nan 8.300 nan 0.000 0.502 49 D N 3.318 123.840 120.400 0.204 0.000 2.527 49 D HA 0.248 4.880 4.640 -0.013 0.000 0.242 49 D C -1.254 175.122 176.300 0.126 0.000 1.285 49 D CA 0.007 54.086 54.000 0.131 0.000 0.886 49 D CB 0.420 41.266 40.800 0.076 0.000 1.402 49 D HN 0.359 nan 8.370 nan 0.000 0.528 50 I N 4.117 124.772 120.570 0.141 0.000 2.428 50 I HA 0.263 4.425 4.170 -0.013 0.000 0.279 50 I C -2.032 174.129 176.117 0.074 0.000 1.040 50 I CA -1.797 59.572 61.300 0.115 0.000 1.171 50 I CB 1.727 39.821 38.000 0.157 0.000 1.312 50 I HN -0.002 nan 8.210 nan 0.000 0.470 51 P HA 0.054 nan 4.420 nan 0.000 0.265 51 P C -2.507 174.813 177.300 0.032 0.000 1.187 51 P CA -0.996 62.128 63.100 0.041 0.000 0.766 51 P CB -0.463 31.259 31.700 0.038 0.000 0.820 52 P HA 0.032 nan 4.420 nan 0.000 0.266 52 P C -0.211 177.096 177.300 0.013 0.000 1.195 52 P CA 0.639 63.746 63.100 0.012 0.000 0.768 52 P CB 0.252 31.957 31.700 0.008 0.000 0.838 53 Q N 1.131 120.934 119.800 0.005 0.000 2.854 53 Q HA 0.653 4.985 4.340 -0.013 0.000 0.328 53 Q C -1.239 174.758 176.000 -0.004 0.000 0.808 53 Q CA -1.332 54.475 55.803 0.007 0.000 0.817 53 Q CB 0.370 29.117 28.738 0.015 0.000 1.377 53 Q HN 0.289 nan 8.270 nan 0.000 0.497 54 A N 1.008 123.828 122.820 0.000 0.000 2.548 54 A HA 0.135 4.447 4.320 -0.013 0.000 0.247 54 A C 0.850 178.408 177.584 -0.044 0.000 1.067 54 A CA -0.206 51.826 52.037 -0.009 0.000 0.757 54 A CB -0.077 18.931 19.000 0.013 0.000 0.996 54 A HN 0.683 nan 8.150 nan 0.000 0.504 55 L N 4.281 125.461 121.223 -0.072 0.000 2.064 55 L HA -0.181 4.152 4.340 -0.013 0.000 0.216 55 L C 2.324 179.057 176.870 -0.229 0.000 1.077 55 L CA 2.899 57.656 54.840 -0.138 0.000 0.766 55 L CB -1.225 40.745 42.059 -0.148 0.000 0.890 55 L HN 0.858 nan 8.230 nan 0.000 0.435 56 G N -1.779 106.891 108.800 -0.217 0.000 2.628 56 G HA2 -0.370 3.582 3.960 -0.013 0.000 0.217 56 G HA3 -0.370 3.582 3.960 -0.013 0.000 0.217 56 G C 1.621 176.456 174.900 -0.109 0.000 1.240 56 G CA 1.190 46.145 45.100 -0.242 0.000 0.792 56 G HN 0.464 nan 8.290 nan 0.000 0.593 57 S N 0.737 116.427 115.700 -0.016 0.000 2.409 57 S HA -0.237 4.226 4.470 -0.013 0.000 0.237 57 S C 2.631 177.238 174.600 0.012 0.000 1.060 57 S CA 1.857 60.064 58.200 0.011 0.000 1.052 57 S CB -0.441 62.768 63.200 0.015 0.000 0.871 57 S HN 0.719 nan 8.310 nan 0.000 0.465 58 A N 0.274 123.081 122.820 -0.022 0.000 1.930 58 A HA 0.180 4.492 4.320 -0.013 0.000 0.215 58 A C 2.086 179.699 177.584 0.048 0.000 1.176 58 A CA 0.684 52.733 52.037 0.019 0.000 0.632 58 A CB -0.409 18.585 19.000 -0.010 0.000 0.819 58 A HN 0.458 nan 8.150 nan 0.000 0.445 59 L N -1.175 120.008 121.223 -0.067 0.000 2.027 59 L HA -0.225 4.107 4.340 -0.013 0.000 0.206 59 L C 2.840 179.805 176.870 0.158 0.000 1.074 59 L CA 1.641 56.455 54.840 -0.043 0.000 0.745 59 L CB -0.510 41.335 42.059 -0.355 0.000 0.898 59 L HN 0.374 nan 8.230 nan 0.000 0.433 60 Q N 0.426 120.321 119.800 0.158 0.000 2.047 60 Q HA -0.318 4.014 4.340 -0.013 0.000 0.211 60 Q C 2.052 178.143 176.000 0.151 0.000 1.005 60 Q CA 2.315 58.223 55.803 0.176 0.000 0.866 60 Q CB -0.216 28.603 28.738 0.135 0.000 0.938 60 Q HN 0.354 nan 8.270 nan 0.000 0.414 61 E N -1.437 118.839 120.200 0.128 0.000 2.110 61 E HA -0.184 4.158 4.350 -0.013 0.000 0.193 61 E C 1.676 178.368 176.600 0.153 0.000 0.988 61 E CA 1.014 57.482 56.400 0.114 0.000 0.804 61 E CB -0.246 29.515 29.700 0.101 0.000 0.745 61 E HN 0.401 nan 8.360 nan 0.000 0.458 62 F N 0.451 120.451 119.950 0.084 0.000 2.075 62 F HA -0.067 4.453 4.527 -0.013 0.000 0.297 62 F C 2.078 177.956 175.800 0.130 0.000 1.113 62 F CA 1.915 60.005 58.000 0.150 0.000 1.218 62 F CB -0.833 38.230 39.000 0.105 0.000 0.984 62 F HN 0.059 nan 8.300 nan 0.000 0.472 63 G N 0.285 109.315 108.800 0.383 0.000 2.574 63 G HA2 -0.407 3.546 3.960 -0.013 0.000 0.220 63 G HA3 -0.407 3.546 3.960 -0.013 0.000 0.220 63 G C 1.824 176.765 174.900 0.068 0.000 1.173 63 G CA 1.249 46.494 45.100 0.243 0.000 0.772 63 G HN 0.373 nan 8.290 nan 0.000 0.585 64 R N -0.091 120.437 120.500 0.047 0.000 2.088 64 R HA -0.109 4.223 4.340 -0.013 0.000 0.232 64 R C 2.861 179.025 176.300 -0.226 0.000 1.136 64 R CA 2.070 58.172 56.100 0.005 0.000 0.926 64 R CB -0.410 29.918 30.300 0.047 0.000 0.837 64 R HN 0.451 nan 8.270 nan 0.000 0.429 65 Q N -1.156 118.393 119.800 -0.419 0.000 2.297 65 Q HA -0.120 4.212 4.340 -0.013 0.000 0.208 65 Q C 1.525 176.931 176.000 -0.991 0.000 0.981 65 Q CA 1.456 56.704 55.803 -0.924 0.000 0.876 65 Q CB 0.124 28.479 28.738 -0.639 0.000 0.921 65 Q HN 0.449 nan 8.270 nan 0.000 0.446 66 A N 0.138 122.586 122.820 -0.619 0.000 2.303 66 A HA 0.023 4.335 4.320 -0.013 0.000 0.217 66 A C -0.292 177.197 177.584 -0.160 0.000 1.205 66 A CA -0.013 51.765 52.037 -0.432 0.000 0.875 66 A CB 0.481 19.237 19.000 -0.405 0.000 0.910 66 A HN 0.295 nan 8.150 nan 0.000 0.501 67 D N -0.520 119.824 120.400 -0.093 0.000 2.812 67 D HA -0.158 4.474 4.640 -0.013 0.000 0.237 67 D C -0.426 175.912 176.300 0.063 0.000 1.162 67 D CA 1.115 55.136 54.000 0.035 0.000 0.740 67 D CB -1.165 39.674 40.800 0.065 0.000 1.000 67 D HN 0.520 nan 8.370 nan 0.000 0.416 68 I N 0.106 120.730 120.570 0.091 0.000 2.827 68 I HA 0.104 4.266 4.170 -0.013 0.000 0.298 68 I C 0.105 176.315 176.117 0.156 0.000 1.235 68 I CA -0.750 60.637 61.300 0.145 0.000 1.021 68 I CB 2.542 40.677 38.000 0.225 0.000 1.259 68 I HN -0.130 nan 8.210 nan 0.000 0.427 69 Q N 3.970 123.851 119.800 0.134 0.000 2.286 69 Q HA 0.465 4.798 4.340 -0.013 0.000 0.257 69 Q C -1.481 174.599 176.000 0.134 0.000 0.941 69 Q CA -0.400 55.476 55.803 0.122 0.000 0.912 69 Q CB 1.487 30.275 28.738 0.084 0.000 1.192 69 Q HN 0.420 nan 8.270 nan 0.000 0.410 70 V N 6.175 126.179 119.914 0.150 0.000 2.378 70 V HA 0.380 4.492 4.120 -0.013 0.000 0.288 70 V C -0.277 175.897 176.094 0.134 0.000 1.016 70 V CA -0.616 61.781 62.300 0.163 0.000 0.840 70 V CB 1.151 33.116 31.823 0.237 0.000 0.994 70 V HN 0.671 nan 8.190 nan 0.000 0.431 71 L N 6.370 127.640 121.223 0.079 0.000 2.325 71 L HA 0.765 5.097 4.340 -0.013 0.000 0.278 71 L C -0.700 176.218 176.870 0.080 0.000 1.023 71 L CA -0.764 54.077 54.840 0.001 0.000 0.811 71 L CB 1.589 43.627 42.059 -0.037 0.000 1.249 71 L HN 0.801 nan 8.230 nan 0.000 0.431 72 Y N -0.258 120.019 120.300 -0.038 0.000 2.609 72 Y HA 0.586 5.128 4.550 -0.013 0.000 0.336 72 Y C -1.037 174.836 175.900 -0.045 0.000 1.129 72 Y CA -1.524 56.548 58.100 -0.048 0.000 1.040 72 Y CB 1.250 39.682 38.460 -0.047 0.000 1.310 72 Y HN 0.373 nan 8.280 nan 0.000 0.460 73 R N 2.751 123.334 120.500 0.139 0.000 2.196 73 R HA 0.284 4.617 4.340 -0.013 0.000 0.340 73 R C -2.239 174.145 176.300 0.141 0.000 1.043 73 R CA -1.632 54.500 56.100 0.053 0.000 0.883 73 R CB 0.928 31.236 30.300 0.013 0.000 1.078 73 R HN 0.474 nan 8.270 nan 0.000 0.462 74 P HA -0.330 nan 4.420 nan 0.000 0.216 74 P C 1.172 178.530 177.300 0.097 0.000 1.167 74 P CA 1.461 64.637 63.100 0.125 0.000 0.914 74 P CB 0.175 31.896 31.700 0.036 0.000 0.793 75 E N 0.373 120.597 120.200 0.040 0.000 2.204 75 E HA -0.233 4.110 4.350 -0.013 0.000 0.195 75 E C 1.564 178.180 176.600 0.027 0.000 0.990 75 E CA 1.454 57.869 56.400 0.026 0.000 0.821 75 E CB -0.823 28.873 29.700 -0.007 0.000 0.750 75 E HN 0.390 nan 8.360 nan 0.000 0.477 76 E N 0.574 120.795 120.200 0.035 0.000 2.230 76 E HA -0.045 4.297 4.350 -0.013 0.000 0.192 76 E C 1.633 178.240 176.600 0.012 0.000 0.987 76 E CA 1.117 57.529 56.400 0.021 0.000 0.841 76 E CB 0.458 30.169 29.700 0.018 0.000 0.783 76 E HN 0.301 nan 8.360 nan 0.000 0.481 77 V N -0.363 119.567 119.914 0.028 0.000 3.039 77 V HA 0.258 4.370 4.120 -0.013 0.000 0.369 77 V C 1.429 177.517 176.094 -0.009 0.000 1.344 77 V CA -0.107 62.177 62.300 -0.027 0.000 1.270 77 V CB -0.120 31.628 31.823 -0.124 0.000 1.284 77 V HN 0.093 nan 8.190 nan 0.000 0.518 78 R N 1.699 122.210 120.500 0.018 0.000 2.128 78 R HA 0.134 4.466 4.340 -0.013 0.000 0.211 78 R C 0.847 177.161 176.300 0.024 0.000 1.067 78 R CA 1.323 57.445 56.100 0.036 0.000 1.010 78 R CB -0.157 30.175 30.300 0.055 0.000 0.922 78 R HN 0.607 nan 8.270 nan 0.000 0.457 79 N N 0.953 119.661 118.700 0.013 0.000 2.635 79 N HA 0.216 4.948 4.740 -0.013 0.000 0.307 79 N C -1.334 174.175 175.510 -0.002 0.000 1.433 79 N CA -0.536 52.520 53.050 0.010 0.000 0.973 79 N CB 0.675 39.170 38.487 0.013 0.000 1.304 79 N HN 0.187 nan 8.380 nan 0.000 0.507 80 K N 0.232 120.625 120.400 -0.012 0.000 2.480 80 K HA 0.583 4.895 4.320 -0.013 0.000 0.258 80 K C -0.544 176.037 176.600 -0.031 0.000 0.990 80 K CA -0.745 55.527 56.287 -0.025 0.000 0.857 80 K CB 2.548 35.025 32.500 -0.039 0.000 1.384 80 K HN 0.083 nan 8.250 nan 0.000 0.446 81 R N 0.032 120.512 120.500 -0.032 0.000 2.836 81 R HA 0.380 4.712 4.340 -0.013 0.000 0.269 81 R C -0.683 175.593 176.300 -0.041 0.000 1.010 81 R CA -0.908 55.172 56.100 -0.033 0.000 0.930 81 R CB 1.963 32.253 30.300 -0.016 0.000 1.218 81 R HN 0.811 nan 8.270 nan 0.000 0.473 82 S N -0.125 115.550 115.700 -0.041 0.000 2.672 82 S HA 0.427 4.889 4.470 -0.013 0.000 0.276 82 S C 0.005 174.588 174.600 -0.029 0.000 1.207 82 S CA -0.867 57.306 58.200 -0.046 0.000 1.002 82 S CB 1.417 64.590 63.200 -0.046 0.000 0.998 82 S HN 0.532 nan 8.310 nan 0.000 0.542 83 S N 0.815 116.496 115.700 -0.032 0.000 2.586 83 S HA 0.657 5.119 4.470 -0.013 0.000 0.274 83 S C 0.224 174.817 174.600 -0.011 0.000 1.281 83 S CA -0.760 57.428 58.200 -0.020 0.000 1.035 83 S CB 0.773 63.960 63.200 -0.022 0.000 0.962 83 S HN 1.155 nan 8.310 nan 0.000 0.512 84 A N 2.118 124.938 122.820 0.000 0.000 2.488 84 A HA 0.489 4.801 4.320 -0.013 0.000 0.249 84 A C 0.211 177.802 177.584 0.011 0.000 1.083 84 A CA -0.558 51.487 52.037 0.013 0.000 0.768 84 A CB -0.788 18.223 19.000 0.018 0.000 1.017 84 A HN 0.857 nan 8.150 nan 0.000 0.496 85 I N -0.216 120.368 120.570 0.024 0.000 2.530 85 I HA 0.885 5.047 4.170 -0.013 0.000 0.297 85 I C -0.406 175.750 176.117 0.064 0.000 1.011 85 I CA -1.085 60.225 61.300 0.018 0.000 1.107 85 I CB 2.116 40.092 38.000 -0.040 0.000 1.285 85 I HN 0.395 nan 8.210 nan 0.000 0.436 86 K N 3.815 124.255 120.400 0.067 0.000 2.565 86 K HA 0.810 5.122 4.320 -0.013 0.000 0.251 86 K C -0.559 176.097 176.600 0.093 0.000 0.956 86 K CA 0.373 56.712 56.287 0.087 0.000 0.809 86 K CB 1.650 34.186 32.500 0.059 0.000 1.267 86 K HN 1.360 nan 8.250 nan 0.000 0.438 87 G N 2.396 111.268 108.800 0.119 0.000 2.525 87 G HA2 -0.074 3.878 3.960 -0.013 0.000 0.685 87 G HA3 -0.074 3.878 3.960 -0.013 0.000 0.685 87 G C -1.488 173.500 174.900 0.146 0.000 1.290 87 G CA -0.819 44.344 45.100 0.105 0.000 0.915 87 G HN 0.597 nan 8.290 nan 0.000 0.548 88 K N 0.290 120.754 120.400 0.107 0.000 2.363 88 K HA 0.531 4.843 4.320 -0.013 0.000 0.289 88 K C -0.011 176.670 176.600 0.135 0.000 1.063 88 K CA 0.137 56.492 56.287 0.113 0.000 0.967 88 K CB -0.312 32.229 32.500 0.069 0.000 0.987 88 K HN 0.466 nan 8.250 nan 0.000 0.473 89 L N 2.057 123.406 121.223 0.209 0.000 2.491 89 L HA 0.416 4.749 4.340 -0.013 0.000 0.254 89 L C -0.483 176.514 176.870 0.211 0.000 1.048 89 L CA -1.160 53.783 54.840 0.172 0.000 0.855 89 L CB 1.794 43.925 42.059 0.118 0.000 1.466 89 L HN 0.464 nan 8.230 nan 0.000 0.409 90 E N 0.980 121.263 120.200 0.138 0.000 2.283 90 E HA 0.188 4.530 4.350 -0.013 0.000 0.278 90 E C -1.800 174.900 176.600 0.166 0.000 1.027 90 E CA -1.655 54.828 56.400 0.139 0.000 0.843 90 E CB 1.629 31.370 29.700 0.069 0.000 1.062 90 E HN 0.292 nan 8.360 nan 0.000 0.401 91 P HA -0.230 nan 4.420 nan 0.000 0.216 91 P C 0.743 178.220 177.300 0.294 0.000 1.150 91 P CA 1.325 64.635 63.100 0.350 0.000 0.843 91 P CB 0.169 32.102 31.700 0.388 0.000 0.787 92 N N -0.388 118.400 118.700 0.146 0.000 2.188 92 N HA -0.167 4.565 4.740 -0.013 0.000 0.184 92 N C 1.840 177.401 175.510 0.085 0.000 1.018 92 N CA 1.188 54.297 53.050 0.098 0.000 0.858 92 N CB -1.138 37.212 38.487 -0.228 0.000 0.989 92 N HN 0.226 nan 8.380 nan 0.000 0.426 93 Q N 0.734 120.556 119.800 0.037 0.000 1.967 93 Q HA 0.019 4.351 4.340 -0.013 0.000 0.202 93 Q C 2.219 178.212 176.000 -0.011 0.000 0.985 93 Q CA 2.278 58.089 55.803 0.014 0.000 0.839 93 Q CB -0.376 28.368 28.738 0.011 0.000 0.906 93 Q HN 0.469 nan 8.270 nan 0.000 0.423 94 A N 0.280 123.073 122.820 -0.045 0.000 1.927 94 A HA -0.255 4.057 4.320 -0.013 0.000 0.220 94 A C 2.026 179.543 177.584 -0.111 0.000 1.185 94 A CA 1.857 53.784 52.037 -0.184 0.000 0.639 94 A CB -0.810 17.787 19.000 -0.672 0.000 0.820 94 A HN 0.558 nan 8.150 nan 0.000 0.451 95 I N -0.111 120.412 120.570 -0.079 0.000 2.333 95 I HA -0.135 4.027 4.170 -0.013 0.000 0.246 95 I C 2.628 178.630 176.117 -0.193 0.000 1.106 95 I CA 2.346 63.438 61.300 -0.346 0.000 1.411 95 I CB -0.459 37.233 38.000 -0.514 0.000 1.082 95 I HN 0.476 nan 8.210 nan 0.000 0.420 96 T N -2.382 112.132 114.554 -0.066 0.000 2.788 96 T HA -0.198 4.144 4.350 -0.013 0.000 0.268 96 T C 1.863 176.524 174.700 -0.065 0.000 1.044 96 T CA 1.549 63.620 62.100 -0.049 0.000 1.139 96 T CB -0.669 68.206 68.868 0.010 0.000 0.867 96 T HN 0.476 nan 8.240 nan 0.000 0.454 97 E N 0.593 120.756 120.200 -0.061 0.000 2.085 97 E HA -0.084 4.258 4.350 -0.013 0.000 0.194 97 E C 2.094 178.651 176.600 -0.072 0.000 0.994 97 E CA 1.096 57.461 56.400 -0.058 0.000 0.801 97 E CB -0.294 29.375 29.700 -0.053 0.000 0.743 97 E HN 0.530 nan 8.360 nan 0.000 0.453 98 L N 0.395 121.556 121.223 -0.104 0.000 2.131 98 L HA -0.145 4.187 4.340 -0.013 0.000 0.210 98 L C 1.867 178.671 176.870 -0.110 0.000 1.092 98 L CA 0.983 55.760 54.840 -0.104 0.000 0.759 98 L CB 0.095 42.068 42.059 -0.144 0.000 0.903 98 L HN 0.173 nan 8.230 nan 0.000 0.435 99 L N -1.018 120.129 121.223 -0.127 0.000 2.529 99 L HA 0.084 4.416 4.340 -0.013 0.000 0.223 99 L C 1.062 177.885 176.870 -0.079 0.000 1.113 99 L CA -0.323 54.448 54.840 -0.116 0.000 0.861 99 L CB -0.302 41.674 42.059 -0.140 0.000 1.012 99 L HN 0.092 nan 8.230 nan 0.000 0.461 100 R N 1.485 121.946 120.500 -0.064 0.000 2.870 100 R HA -0.130 4.202 4.340 -0.013 0.000 0.283 100 R C 1.189 177.466 176.300 -0.040 0.000 0.805 100 R CA 1.156 57.230 56.100 -0.044 0.000 1.110 100 R CB -0.170 30.108 30.300 -0.036 0.000 0.900 100 R HN 0.469 nan 8.270 nan 0.000 0.406 101 G N 2.234 111.014 108.800 -0.034 0.000 2.205 101 G HA2 -0.371 3.581 3.960 -0.013 0.000 0.261 101 G HA3 -0.371 3.581 3.960 -0.013 0.000 0.261 101 G C 0.709 175.589 174.900 -0.034 0.000 0.980 101 G CA 0.760 45.843 45.100 -0.029 0.000 0.632 101 G HN 0.719 nan 8.290 nan 0.000 0.533 102 T N -1.606 112.921 114.554 -0.045 0.000 3.100 102 T HA 0.417 4.759 4.350 -0.013 0.000 0.253 102 T C 2.338 177.011 174.700 -0.045 0.000 1.118 102 T CA 1.446 63.517 62.100 -0.049 0.000 1.058 102 T CB 0.171 68.998 68.868 -0.069 0.000 0.953 102 T HN 2.199 nan 8.240 nan 0.000 0.515 103 G N 1.157 109.933 108.800 -0.040 0.000 2.198 103 G HA2 0.006 3.958 3.960 -0.013 0.000 0.260 103 G HA3 0.006 3.958 3.960 -0.013 0.000 0.260 103 G C 0.136 175.010 174.900 -0.043 0.000 1.025 103 G CA -0.052 45.027 45.100 -0.036 0.000 0.769 103 G HN 1.209 nan 8.290 nan 0.000 0.507 104 A N -0.501 122.285 122.820 -0.057 0.000 2.325 104 A HA 0.914 5.226 4.320 -0.013 0.000 0.333 104 A C 0.390 177.928 177.584 -0.076 0.000 1.155 104 A CA 0.450 52.445 52.037 -0.070 0.000 0.814 104 A CB 1.398 20.343 19.000 -0.091 0.000 1.206 104 A HN 1.012 nan 8.150 nan 0.000 0.482 105 S N -0.194 115.459 115.700 -0.079 0.000 2.621 105 S HA 0.683 5.145 4.470 -0.013 0.000 0.302 105 S C -0.472 174.042 174.600 -0.143 0.000 1.093 105 S CA -0.620 57.526 58.200 -0.089 0.000 1.017 105 S CB 1.705 64.866 63.200 -0.064 0.000 1.077 105 S HN 0.609 nan 8.310 nan 0.000 0.517 106 V N 1.504 121.301 119.914 -0.195 0.000 2.581 106 V HA 0.446 4.558 4.120 -0.013 0.000 0.303 106 V C -0.916 174.929 176.094 -0.415 0.000 1.041 106 V CA -0.622 61.450 62.300 -0.379 0.000 0.907 106 V CB 1.944 33.440 31.823 -0.544 0.000 0.994 106 V HN 0.888 nan 8.190 nan 0.000 0.442 107 D N 3.427 123.563 120.400 -0.440 0.000 2.464 107 D HA 0.371 5.003 4.640 -0.013 0.000 0.243 107 D C -0.652 175.429 176.300 -0.365 0.000 1.104 107 D CA -0.395 53.425 54.000 -0.300 0.000 0.883 107 D CB 0.413 41.126 40.800 -0.145 0.000 1.050 107 D HN 0.210 nan 8.370 nan 0.000 0.524 108 F N 2.444 122.402 119.950 0.014 0.000 2.541 108 F HA 0.158 4.677 4.527 -0.013 0.000 0.378 108 F C 1.201 177.019 175.800 0.030 0.000 1.068 108 F CA 0.069 58.086 58.000 0.029 0.000 1.199 108 F CB 0.625 39.645 39.000 0.034 0.000 1.091 108 F HN 0.265 nan 8.300 nan 0.000 0.555 109 Q N 2.873 122.764 119.800 0.152 0.000 3.244 109 Q HA 0.536 4.868 4.340 -0.013 0.000 0.249 109 Q C 0.331 176.399 176.000 0.112 0.000 0.951 109 Q CA -0.357 55.513 55.803 0.112 0.000 0.740 109 Q CB 1.240 30.011 28.738 0.056 0.000 1.334 109 Q HN 0.904 nan 8.270 nan 0.000 0.448 110 G N 3.289 112.166 108.800 0.129 0.000 2.536 110 G HA2 -0.347 3.605 3.960 -0.013 0.000 0.277 110 G HA3 -0.347 3.605 3.960 -0.013 0.000 0.277 110 G C 0.173 175.143 174.900 0.118 0.000 1.155 110 G CA 0.217 45.379 45.100 0.104 0.000 0.960 110 G HN 0.551 nan 8.290 nan 0.000 0.544 111 N N 2.793 121.553 118.700 0.100 0.000 2.322 111 N HA 0.513 5.245 4.740 -0.013 0.000 0.216 111 N C 0.355 175.932 175.510 0.112 0.000 1.144 111 N CA 1.009 54.123 53.050 0.107 0.000 0.830 111 N CB 0.582 39.121 38.487 0.088 0.000 1.034 111 N HN 1.055 nan 8.380 nan 0.000 0.484 112 A N 0.758 123.644 122.820 0.111 0.000 2.435 112 A HA 0.758 5.070 4.320 -0.013 0.000 0.304 112 A C -0.468 177.169 177.584 0.090 0.000 1.064 112 A CA -0.820 51.273 52.037 0.092 0.000 0.727 112 A CB 1.229 20.264 19.000 0.058 0.000 1.284 112 A HN 0.259 nan 8.150 nan 0.000 0.415 113 I N -0.319 120.289 120.570 0.063 0.000 2.466 113 I HA 0.745 4.907 4.170 -0.013 0.000 0.289 113 I C -0.428 175.650 176.117 -0.065 0.000 1.026 113 I CA -0.278 60.998 61.300 -0.039 0.000 1.078 113 I CB 2.270 40.226 38.000 -0.075 0.000 1.249 113 I HN 0.481 nan 8.210 nan 0.000 0.429 114 T N 6.782 121.271 114.554 -0.109 0.000 2.758 114 T HA 0.613 4.955 4.350 -0.013 0.000 0.285 114 T C -0.582 174.056 174.700 -0.103 0.000 0.981 114 T CA -0.343 61.714 62.100 -0.072 0.000 0.965 114 T CB 0.586 69.425 68.868 -0.049 0.000 0.927 114 T HN 0.487 nan 8.240 nan 0.000 0.448 115 I N 5.267 125.804 120.570 -0.054 0.000 2.342 115 I HA 0.437 4.599 4.170 -0.013 0.000 0.291 115 I C 0.486 176.580 176.117 -0.038 0.000 1.010 115 I CA 0.351 61.607 61.300 -0.073 0.000 1.308 115 I CB 1.562 39.528 38.000 -0.057 0.000 1.400 115 I HN 0.784 nan 8.210 nan 0.000 0.488 116 S N 5.639 121.302 115.700 -0.062 0.000 2.568 116 S HA 0.814 5.276 4.470 -0.013 0.000 0.293 116 S C -0.987 173.587 174.600 -0.044 0.000 1.089 116 S CA -0.665 57.510 58.200 -0.042 0.000 0.945 116 S CB 2.020 65.194 63.200 -0.044 0.000 1.077 116 S HN 0.209 nan 8.310 nan 0.000 0.485 117 V N 2.366 122.261 119.914 -0.031 0.000 2.327 117 V HA 0.652 4.764 4.120 -0.013 0.000 0.272 117 V C 0.626 176.705 176.094 -0.025 0.000 1.019 117 V CA -0.449 61.833 62.300 -0.031 0.000 0.814 117 V CB 0.394 32.200 31.823 -0.028 0.000 1.040 117 V HN 1.199 nan 8.190 nan 0.000 0.440 118 A N 4.055 126.859 122.820 -0.026 0.000 2.483 118 A HA 0.576 4.888 4.320 -0.013 0.000 0.238 118 A C 0.234 177.808 177.584 -0.017 0.000 1.070 118 A CA -0.010 52.014 52.037 -0.021 0.000 0.770 118 A CB 0.301 19.289 19.000 -0.021 0.000 1.008 118 A HN 0.655 nan 8.150 nan 0.000 0.497 119 E N 0.588 120.779 120.200 -0.015 0.000 2.221 119 E HA 0.522 4.864 4.350 -0.013 0.000 0.268 119 E C 0.976 177.569 176.600 -0.010 0.000 0.933 119 E CA -0.037 56.356 56.400 -0.012 0.000 0.809 119 E CB 1.616 31.309 29.700 -0.011 0.000 1.190 119 E HN 0.608 nan 8.360 nan 0.000 0.406 120 A N 1.831 124.646 122.820 -0.009 0.000 1.933 120 A HA -0.113 4.199 4.320 -0.013 0.000 0.218 120 A C 1.921 179.501 177.584 -0.006 0.000 1.175 120 A CA 2.034 54.067 52.037 -0.007 0.000 0.628 120 A CB -0.531 18.465 19.000 -0.006 0.000 0.814 120 A HN 0.638 nan 8.150 nan 0.000 0.444 121 A N -0.117 122.699 122.820 -0.007 0.000 1.829 121 A HA -0.047 4.265 4.320 -0.013 0.000 0.216 121 A C 0.677 178.257 177.584 -0.007 0.000 1.207 121 A CA 1.084 53.117 52.037 -0.006 0.000 0.622 121 A CB -0.820 18.176 19.000 -0.006 0.000 0.846 121 A HN 0.530 nan 8.150 nan 0.000 0.447 122 D N -0.705 119.690 120.400 -0.009 0.000 6.368 122 D HA -0.108 4.524 4.640 -0.013 0.000 0.115 122 D C 0.488 176.783 176.300 -0.008 0.000 0.928 122 D CA 1.213 55.207 54.000 -0.010 0.000 0.877 122 D CB -0.278 40.515 40.800 -0.011 0.000 1.330 122 D HN 0.605 nan 8.370 nan 0.000 0.733 123 S N -0.198 115.497 115.700 -0.008 0.000 2.664 123 S HA 0.410 4.872 4.470 -0.013 0.000 0.245 123 S C 0.112 174.709 174.600 -0.006 0.000 1.019 123 S CA 0.575 58.771 58.200 -0.006 0.000 0.996 123 S CB 0.489 63.686 63.200 -0.005 0.000 0.878 123 S HN 1.280 nan 8.310 nan 0.000 0.493 124 S N -0.778 114.916 115.700 -0.010 0.000 2.769 124 S HA 0.034 4.496 4.470 -0.013 0.000 0.269 124 S C -1.083 173.507 174.600 -0.018 0.000 0.604 124 S CA -0.423 57.770 58.200 -0.013 0.000 1.254 124 S CB -0.611 62.583 63.200 -0.011 0.000 1.487 124 S HN 1.386 nan 8.310 nan 0.000 0.535 125 V N 1.510 121.410 119.914 -0.024 0.000 2.472 125 V HA 0.676 4.788 4.120 -0.013 0.000 0.290 125 V C -0.323 175.752 176.094 -0.032 0.000 1.037 125 V CA -0.063 62.221 62.300 -0.027 0.000 0.908 125 V CB 1.598 33.404 31.823 -0.029 0.000 0.985 125 V HN 1.012 nan 8.190 nan 0.000 0.454 126 D N 5.278 125.659 120.400 -0.032 0.000 2.524 126 D HA 0.219 4.851 4.640 -0.013 0.000 0.222 126 D C 1.149 177.426 176.300 -0.037 0.000 1.142 126 D CA 0.046 54.027 54.000 -0.033 0.000 0.973 126 D CB 0.488 41.270 40.800 -0.031 0.000 1.025 126 D HN 0.616 nan 8.370 nan 0.000 0.519 127 L N 1.615 122.813 121.223 -0.042 0.000 2.079 127 L HA -0.056 4.276 4.340 -0.013 0.000 0.210 127 L C 1.818 178.666 176.870 -0.038 0.000 1.081 127 L CA 1.279 56.092 54.840 -0.044 0.000 0.752 127 L CB 0.008 42.034 42.059 -0.055 0.000 0.896 127 L HN 0.401 nan 8.230 nan 0.000 0.433 128 G N -0.481 108.302 108.800 -0.028 0.000 3.949 128 G HA2 0.447 4.399 3.960 -0.013 0.000 0.295 128 G HA3 0.447 4.399 3.960 -0.013 0.000 0.295 128 G C 0.329 175.210 174.900 -0.032 0.000 1.286 128 G CA 0.061 45.150 45.100 -0.018 0.000 1.171 128 G HN 0.278 nan 8.290 nan 0.000 0.586 129 A N 0.210 123.004 122.820 -0.043 0.000 2.445 129 A HA 0.507 4.819 4.320 -0.013 0.000 0.242 129 A C 0.954 178.492 177.584 -0.077 0.000 1.075 129 A CA 0.064 52.066 52.037 -0.058 0.000 0.777 129 A CB 0.173 19.140 19.000 -0.056 0.000 1.013 129 A HN 0.209 nan 8.150 nan 0.000 0.493 130 T N 3.653 118.145 114.554 -0.104 0.000 2.778 130 T HA 0.207 4.549 4.350 -0.013 0.000 0.282 130 T C 0.078 174.698 174.700 -0.134 0.000 0.983 130 T CA 1.154 63.176 62.100 -0.130 0.000 1.193 130 T CB -0.712 68.055 68.868 -0.168 0.000 0.938 130 T HN 0.467 nan 8.240 nan 0.000 0.523 131 M N 4.985 124.499 119.600 -0.144 0.000 2.253 131 M HA 0.395 4.867 4.480 -0.013 0.000 0.314 131 M C -0.614 175.528 176.300 -0.263 0.000 1.019 131 M CA -0.999 54.191 55.300 -0.182 0.000 0.932 131 M CB 1.770 34.290 32.600 -0.134 0.000 1.606 131 M HN 0.269 nan 8.290 nan 0.000 0.430 132 I N 1.672 121.977 120.570 -0.443 0.000 2.612 132 I HA 0.417 4.579 4.170 -0.013 0.000 0.295 132 I C 0.589 176.356 176.117 -0.583 0.000 1.011 132 I CA 0.065 61.045 61.300 -0.533 0.000 1.326 132 I CB 1.640 39.281 38.000 -0.598 0.000 1.427 132 I HN 0.595 nan 8.210 nan 0.000 0.537 133 T N 2.182 116.539 114.554 -0.327 0.000 2.909 133 T HA 0.261 4.603 4.350 -0.013 0.000 0.299 133 T C 0.696 175.378 174.700 -0.030 0.000 1.073 133 T CA -0.240 61.765 62.100 -0.158 0.000 0.999 133 T CB 1.261 70.075 68.868 -0.090 0.000 1.098 133 T HN 0.725 nan 8.240 nan 0.000 0.477 134 S N 2.776 118.509 115.700 0.054 0.000 2.486 134 S HA 0.130 4.593 4.470 -0.013 0.000 0.220 134 S C 0.623 175.278 174.600 0.092 0.000 1.011 134 S CA 0.097 58.364 58.200 0.111 0.000 0.921 134 S CB -0.004 63.299 63.200 0.173 0.000 0.785 134 S HN 0.557 nan 8.310 nan 0.000 0.517 135 N N 1.357 120.103 118.700 0.077 0.000 2.518 135 N HA 0.255 4.987 4.740 -0.013 0.000 0.254 135 N C 0.425 175.977 175.510 0.071 0.000 0.979 135 N CA -0.350 52.747 53.050 0.079 0.000 0.930 135 N CB 1.420 39.956 38.487 0.080 0.000 1.152 135 N HN 0.139 nan 8.380 nan 0.000 0.505 136 Q N 2.721 122.575 119.800 0.091 0.000 2.291 136 Q HA -0.038 4.294 4.340 -0.013 0.000 0.206 136 Q C 1.300 177.352 176.000 0.087 0.000 0.976 136 Q CA 0.913 56.782 55.803 0.109 0.000 0.875 136 Q CB 0.301 29.153 28.738 0.189 0.000 0.927 136 Q HN 0.693 nan 8.270 nan 0.000 0.450 137 L N -0.953 120.315 121.223 0.075 0.000 2.418 137 L HA 0.078 4.411 4.340 -0.013 0.000 0.218 137 L C 1.072 177.958 176.870 0.027 0.000 1.125 137 L CA 0.550 55.419 54.840 0.048 0.000 0.835 137 L CB 0.026 42.116 42.059 0.053 0.000 0.953 137 L HN 0.281 nan 8.230 nan 0.000 0.454 138 G N -0.954 107.867 108.800 0.035 0.000 2.343 138 G HA2 -0.148 3.804 3.960 -0.013 0.000 0.562 138 G HA3 -0.148 3.804 3.960 -0.013 0.000 0.562 138 G C -0.594 174.329 174.900 0.037 0.000 1.269 138 G CA -0.741 44.373 45.100 0.024 0.000 1.011 138 G HN -0.171 nan 8.290 nan 0.000 0.498 139 T N 1.241 115.815 114.554 0.034 0.000 2.814 139 T HA 0.474 4.816 4.350 -0.013 0.000 0.297 139 T C 1.168 175.898 174.700 0.049 0.000 0.956 139 T CA 0.077 62.205 62.100 0.046 0.000 1.123 139 T CB 0.490 69.384 68.868 0.043 0.000 0.902 139 T HN 0.529 nan 8.240 nan 0.000 0.528 140 I N 3.431 124.037 120.570 0.059 0.000 2.710 140 I HA -0.002 4.160 4.170 -0.013 0.000 0.286 140 I C 2.008 178.160 176.117 0.059 0.000 1.181 140 I CA 0.099 61.435 61.300 0.060 0.000 1.430 140 I CB 1.043 39.083 38.000 0.066 0.000 1.367 140 I HN 0.823 nan 8.210 nan 0.000 0.577 141 T N 0.969 115.557 114.554 0.057 0.000 3.037 141 T HA 0.011 4.354 4.350 -0.013 0.000 0.252 141 T C 0.782 175.520 174.700 0.063 0.000 1.073 141 T CA -0.317 61.820 62.100 0.061 0.000 1.091 141 T CB -0.053 68.850 68.868 0.058 0.000 0.935 141 T HN 0.639 nan 8.240 nan 0.000 0.488 142 E N 1.764 121.999 120.200 0.059 0.000 2.708 142 E HA -0.117 4.225 4.350 -0.013 0.000 0.260 142 E C -0.207 176.423 176.600 0.049 0.000 0.937 142 E CA 0.633 57.065 56.400 0.054 0.000 0.953 142 E CB -0.055 29.678 29.700 0.055 0.000 0.915 142 E HN 0.308 nan 8.360 nan 0.000 0.487 143 D N 1.692 122.116 120.400 0.041 0.000 2.978 143 D HA -0.258 4.374 4.640 -0.013 0.000 0.205 143 D C 1.035 177.363 176.300 0.047 0.000 1.093 143 D CA 1.526 55.548 54.000 0.037 0.000 1.006 143 D CB -1.588 39.232 40.800 0.033 0.000 1.116 143 D HN 0.526 nan 8.370 nan 0.000 0.419 144 S N -0.451 115.285 115.700 0.061 0.000 2.507 144 S HA 0.146 4.608 4.470 -0.013 0.000 0.235 144 S C 1.953 176.589 174.600 0.060 0.000 0.988 144 S CA 1.565 59.804 58.200 0.064 0.000 0.944 144 S CB -0.042 63.202 63.200 0.073 0.000 0.762 144 S HN 1.088 nan 8.310 nan 0.000 0.526 145 G N 0.300 109.137 108.800 0.062 0.000 2.180 145 G HA2 -0.291 3.662 3.960 -0.013 0.000 0.263 145 G HA3 -0.291 3.662 3.960 -0.013 0.000 0.263 145 G C 0.104 175.040 174.900 0.059 0.000 0.989 145 G CA 0.637 45.768 45.100 0.053 0.000 0.692 145 G HN 1.033 nan 8.290 nan 0.000 0.526 146 S N -1.860 113.907 115.700 0.112 0.000 2.600 146 S HA 0.729 5.192 4.470 -0.013 0.000 0.300 146 S C 0.508 175.313 174.600 0.342 0.000 1.087 146 S CA -0.688 57.586 58.200 0.122 0.000 0.965 146 S CB 0.997 64.249 63.200 0.088 0.000 1.089 146 S HN 0.243 nan 8.310 nan 0.000 0.496 147 Y N 1.250 121.589 120.300 0.064 0.000 2.458 147 Y HA 0.351 4.893 4.550 -0.013 0.000 0.256 147 Y C 1.268 177.194 175.900 0.043 0.000 1.159 147 Y CA -0.235 57.905 58.100 0.067 0.000 1.261 147 Y CB -0.048 38.467 38.460 0.091 0.000 1.119 147 Y HN 0.514 nan 8.280 nan 0.000 0.524 148 T N 2.464 117.132 114.554 0.190 0.000 2.887 148 T HA 0.481 4.823 4.350 -0.013 0.000 0.288 148 T C -2.616 172.130 174.700 0.077 0.000 1.021 148 T CA -2.083 60.083 62.100 0.109 0.000 1.000 148 T CB 1.820 70.739 68.868 0.085 0.000 1.034 148 T HN -0.176 nan 8.240 nan 0.000 0.467 149 P HA 0.412 nan 4.420 nan 0.000 0.282 149 P C 0.332 177.648 177.300 0.027 0.000 1.287 149 P CA -0.304 62.815 63.100 0.032 0.000 0.792 149 P CB 0.928 32.633 31.700 0.008 0.000 1.163 150 G N -0.347 108.468 108.800 0.023 0.000 2.534 150 G HA2 0.277 4.229 3.960 -0.013 0.000 0.224 150 G HA3 0.277 4.229 3.960 -0.013 0.000 0.224 150 G C -0.028 174.875 174.900 0.005 0.000 1.822 150 G CA 0.413 45.525 45.100 0.020 0.000 0.805 150 G HN 0.720 nan 8.290 nan 0.000 0.649 151 T N -1.773 112.784 114.554 0.005 0.000 2.942 151 T HA 0.725 5.067 4.350 -0.013 0.000 0.289 151 T C -1.252 173.441 174.700 -0.012 0.000 1.044 151 T CA -0.665 61.430 62.100 -0.007 0.000 1.023 151 T CB 2.615 71.479 68.868 -0.007 0.000 1.123 151 T HN 0.098 nan 8.240 nan 0.000 0.512 152 I N 0.529 121.085 120.570 -0.024 0.000 2.692 152 I HA 0.631 4.793 4.170 -0.013 0.000 0.293 152 I C 0.129 176.219 176.117 -0.046 0.000 1.200 152 I CA -1.450 59.827 61.300 -0.038 0.000 1.036 152 I CB 1.942 39.911 38.000 -0.053 0.000 1.258 152 I HN 1.015 nan 8.210 nan 0.000 0.421 153 A N 3.575 126.362 122.820 -0.055 0.000 2.538 153 A HA 0.241 4.553 4.320 -0.013 0.000 0.269 153 A C 1.247 178.762 177.584 -0.114 0.000 1.231 153 A CA 0.367 52.362 52.037 -0.071 0.000 0.948 153 A CB -0.409 18.559 19.000 -0.053 0.000 1.110 153 A HN 0.708 nan 8.150 nan 0.000 0.529 154 T N -0.055 114.428 114.554 -0.119 0.000 2.777 154 T HA -0.027 4.315 4.350 -0.013 0.000 0.266 154 T C 2.181 176.774 174.700 -0.178 0.000 1.040 154 T CA 1.487 63.498 62.100 -0.150 0.000 1.141 154 T CB -0.269 68.512 68.868 -0.145 0.000 0.868 154 T HN 0.515 nan 8.240 nan 0.000 0.444 155 A N 1.883 124.604 122.820 -0.164 0.000 1.873 155 A HA -0.022 4.290 4.320 -0.013 0.000 0.215 155 A C 2.476 179.905 177.584 -0.259 0.000 1.186 155 A CA 1.981 53.909 52.037 -0.182 0.000 0.616 155 A CB -0.748 18.157 19.000 -0.158 0.000 0.823 155 A HN 0.612 nan 8.150 nan 0.000 0.442 156 T N -7.291 107.121 114.554 -0.237 0.000 3.058 156 T HA 0.406 4.748 4.350 -0.013 0.000 0.278 156 T C 0.732 175.293 174.700 -0.233 0.000 0.974 156 T CA 0.667 62.590 62.100 -0.295 0.000 0.893 156 T CB 0.583 69.334 68.868 -0.194 0.000 1.138 156 T HN 0.358 nan 8.240 nan 0.000 0.529 157 R N -0.595 119.776 120.500 -0.216 0.000 3.603 157 R HA -0.092 4.240 4.340 -0.013 0.000 0.479 157 R C -0.567 175.680 176.300 -0.088 0.000 0.745 157 R CA 0.960 56.938 56.100 -0.203 0.000 1.476 157 R CB -2.397 27.730 30.300 -0.290 0.000 2.147 157 R HN 0.594 nan 8.270 nan 0.000 0.447 158 L N 0.925 122.121 121.223 -0.045 0.000 2.380 158 L HA 0.293 4.625 4.340 -0.013 0.000 0.273 158 L C 0.531 177.394 176.870 -0.011 0.000 1.138 158 L CA -0.666 54.168 54.840 -0.010 0.000 0.832 158 L CB 1.106 43.176 42.059 0.018 0.000 1.124 158 L HN -0.192 nan 8.230 nan 0.000 0.454 159 V N 5.640 125.545 119.914 -0.016 0.000 2.397 159 V HA 0.164 4.276 4.120 -0.013 0.000 0.262 159 V C 0.349 176.433 176.094 -0.017 0.000 1.047 159 V CA 0.317 62.606 62.300 -0.018 0.000 1.003 159 V CB -0.077 31.735 31.823 -0.019 0.000 1.037 159 V HN 0.465 nan 8.190 nan 0.000 0.480 160 L N 4.175 125.394 121.223 -0.007 0.000 2.309 160 L HA 0.691 5.023 4.340 -0.013 0.000 0.261 160 L C 0.506 177.366 176.870 -0.015 0.000 1.021 160 L CA -0.734 54.109 54.840 0.004 0.000 0.823 160 L CB 2.597 44.688 42.059 0.054 0.000 1.366 160 L HN 0.595 nan 8.230 nan 0.000 0.423 161 T N -3.393 111.150 114.554 -0.018 0.000 2.902 161 T HA 0.343 4.685 4.350 -0.013 0.000 0.280 161 T C -2.170 172.501 174.700 -0.049 0.000 0.992 161 T CA -1.799 60.282 62.100 -0.031 0.000 1.015 161 T CB 1.511 70.359 68.868 -0.033 0.000 1.044 161 T HN 0.293 nan 8.240 nan 0.000 0.520 162 P HA -0.060 nan 4.420 nan 0.000 0.216 162 P C 1.600 178.836 177.300 -0.106 0.000 1.150 162 P CA 0.858 63.908 63.100 -0.083 0.000 0.837 162 P CB 0.034 31.697 31.700 -0.061 0.000 0.786 163 R N 0.505 120.954 120.500 -0.085 0.000 2.152 163 R HA -0.138 4.194 4.340 -0.013 0.000 0.232 163 R C 1.627 177.884 176.300 -0.071 0.000 1.117 163 R CA 1.415 57.462 56.100 -0.089 0.000 0.981 163 R CB -0.293 29.955 30.300 -0.086 0.000 0.870 163 R HN 0.226 nan 8.270 nan 0.000 0.451 164 E N -0.605 119.570 120.200 -0.042 0.000 2.478 164 E HA 0.011 4.353 4.350 -0.013 0.000 0.194 164 E C -0.435 176.186 176.600 0.035 0.000 1.045 164 E CA 0.376 56.793 56.400 0.029 0.000 0.868 164 E CB 0.699 30.430 29.700 0.053 0.000 0.885 164 E HN 0.169 nan 8.360 nan 0.000 0.505 165 T N 3.344 117.832 114.554 -0.109 0.000 2.753 165 T HA 0.163 4.505 4.350 -0.013 0.000 0.297 165 T C -2.287 172.171 174.700 -0.404 0.000 0.981 165 T CA -1.561 60.407 62.100 -0.220 0.000 0.956 165 T CB 1.396 70.150 68.868 -0.190 0.000 0.936 165 T HN -0.046 nan 8.240 nan 0.000 0.463 166 P HA 0.218 nan 4.420 nan 0.000 0.220 166 P C -0.508 176.643 177.300 -0.249 0.000 1.778 166 P CA -0.140 62.706 63.100 -0.422 0.000 0.912 166 P CB 0.109 31.739 31.700 -0.117 0.000 1.861 167 Q N -0.763 118.844 119.800 -0.322 0.000 2.482 167 Q HA 0.363 4.695 4.340 -0.013 0.000 0.286 167 Q C -0.722 175.194 176.000 -0.141 0.000 1.007 167 Q CA -0.771 54.954 55.803 -0.129 0.000 0.801 167 Q CB 1.962 30.616 28.738 -0.141 0.000 1.455 167 Q HN -0.075 nan 8.270 nan 0.000 0.398 168 S N 1.355 117.016 115.700 -0.065 0.000 2.474 168 S HA 0.439 4.901 4.470 -0.013 0.000 0.276 168 S C -0.658 173.879 174.600 -0.104 0.000 1.227 168 S CA -0.235 57.931 58.200 -0.056 0.000 1.050 168 S CB 0.118 63.288 63.200 -0.051 0.000 0.939 168 S HN 0.390 nan 8.310 nan 0.000 0.490 169 I N 3.701 124.212 120.570 -0.099 0.000 2.468 169 I HA 0.383 4.546 4.170 -0.013 0.000 0.284 169 I C -0.609 175.459 176.117 -0.081 0.000 1.038 169 I CA 0.022 61.257 61.300 -0.107 0.000 1.083 169 I CB 1.418 39.346 38.000 -0.121 0.000 1.223 169 I HN 0.452 nan 8.210 nan 0.000 0.443 170 T N 6.267 120.770 114.554 -0.085 0.000 2.859 170 T HA 0.731 5.073 4.350 -0.013 0.000 0.281 170 T C -0.674 173.981 174.700 -0.076 0.000 1.005 170 T CA -0.501 61.560 62.100 -0.065 0.000 1.025 170 T CB 1.706 70.535 68.868 -0.065 0.000 0.977 170 T HN 0.343 nan 8.240 nan 0.000 0.458 171 V N 3.056 122.937 119.914 -0.055 0.000 2.656 171 V HA 0.436 4.548 4.120 -0.013 0.000 0.307 171 V C -0.413 175.647 176.094 -0.056 0.000 1.051 171 V CA -0.812 61.452 62.300 -0.060 0.000 0.893 171 V CB 2.231 34.031 31.823 -0.039 0.000 0.999 171 V HN 0.702 nan 8.190 nan 0.000 0.426 172 V N 4.299 124.164 119.914 -0.081 0.000 2.350 172 V HA 0.407 4.519 4.120 -0.013 0.000 0.276 172 V C 0.643 176.694 176.094 -0.071 0.000 1.028 172 V CA -0.276 61.967 62.300 -0.095 0.000 0.860 172 V CB 1.713 33.457 31.823 -0.132 0.000 0.990 172 V HN 1.068 nan 8.190 nan 0.000 0.453 173 T N 2.295 116.818 114.554 -0.052 0.000 2.874 173 T HA 0.349 4.691 4.350 -0.013 0.000 0.281 173 T C 1.121 175.816 174.700 -0.008 0.000 0.994 173 T CA -0.546 61.553 62.100 -0.002 0.000 1.015 173 T CB 1.345 70.250 68.868 0.063 0.000 1.028 173 T HN 0.433 nan 8.240 nan 0.000 0.523 174 R N 0.583 121.099 120.500 0.026 0.000 2.119 174 R HA -0.175 4.157 4.340 -0.013 0.000 0.246 174 R C 2.383 178.700 176.300 0.028 0.000 1.146 174 R CA 2.091 58.209 56.100 0.030 0.000 0.962 174 R CB -1.003 29.326 30.300 0.047 0.000 0.863 174 R HN 0.791 nan 8.270 nan 0.000 0.442 175 Q N -0.148 119.696 119.800 0.073 0.000 2.172 175 Q HA -0.047 4.285 4.340 -0.013 0.000 0.200 175 Q C 1.649 177.693 176.000 0.073 0.000 0.964 175 Q CA 1.597 57.473 55.803 0.121 0.000 0.855 175 Q CB -0.389 28.505 28.738 0.260 0.000 0.918 175 Q HN 0.343 nan 8.270 nan 0.000 0.444 176 N N -0.364 118.268 118.700 -0.114 0.000 2.084 176 N HA -0.145 4.587 4.740 -0.013 0.000 0.190 176 N C 1.562 177.017 175.510 -0.092 0.000 1.030 176 N CA 1.547 54.382 53.050 -0.359 0.000 0.849 176 N CB -0.122 38.063 38.487 -0.503 0.000 1.012 176 N HN 0.334 nan 8.380 nan 0.000 0.423 177 M N 0.229 119.773 119.600 -0.094 0.000 2.086 177 M HA -0.159 4.313 4.480 -0.013 0.000 0.261 177 M C 1.300 177.567 176.300 -0.056 0.000 1.067 177 M CA 1.537 56.788 55.300 -0.082 0.000 1.116 177 M CB -0.163 32.401 32.600 -0.059 0.000 1.348 177 M HN 0.017 nan 8.290 nan 0.000 0.407 178 D N 0.378 120.753 120.400 -0.042 0.000 2.097 178 D HA -0.159 4.473 4.640 -0.013 0.000 0.195 178 D C 1.633 177.881 176.300 -0.087 0.000 0.989 178 D CA 1.283 55.249 54.000 -0.056 0.000 0.827 178 D CB -0.433 40.338 40.800 -0.049 0.000 0.966 178 D HN 0.288 nan 8.370 nan 0.000 0.456 179 D N -0.547 119.793 120.400 -0.100 0.000 2.117 179 D HA -0.088 4.544 4.640 -0.013 0.000 0.198 179 D C 1.309 177.317 176.300 -0.486 0.000 0.982 179 D CA 0.670 54.506 54.000 -0.272 0.000 0.828 179 D CB -0.271 40.376 40.800 -0.255 0.000 0.967 179 D HN 0.267 nan 8.370 nan 0.000 0.464 180 F N -0.132 119.763 119.950 -0.091 0.000 2.692 180 F HA 0.296 4.815 4.527 -0.014 0.000 0.303 180 F C 1.656 177.355 175.800 -0.168 0.000 1.114 180 F CA -0.020 57.906 58.000 -0.123 0.000 1.361 180 F CB 0.157 39.030 39.000 -0.212 0.000 1.063 180 F HN -0.059 nan 8.300 nan 0.000 0.550 181 G N 1.301 110.071 108.800 -0.050 0.000 2.258 181 G HA2 -0.323 3.629 3.960 -0.013 0.000 0.274 181 G HA3 -0.323 3.629 3.960 -0.013 0.000 0.274 181 G C 0.191 175.050 174.900 -0.068 0.000 1.021 181 G CA -0.211 44.858 45.100 -0.052 0.000 0.798 181 G HN 0.369 nan 8.290 nan 0.000 0.507 182 L N -0.173 120.980 121.223 -0.116 0.000 2.536 182 L HA 0.213 4.545 4.340 -0.013 0.000 0.282 182 L C 1.329 178.155 176.870 -0.073 0.000 1.147 182 L CA 0.029 54.778 54.840 -0.151 0.000 0.936 182 L CB -0.035 41.873 42.059 -0.253 0.000 1.279 182 L HN 0.245 nan 8.230 nan 0.000 0.461 183 N N 1.976 120.654 118.700 -0.037 0.000 2.280 183 N HA 0.001 4.733 4.740 -0.013 0.000 0.192 183 N C 0.022 175.537 175.510 0.009 0.000 1.109 183 N CA -0.175 52.873 53.050 -0.003 0.000 0.855 183 N CB 0.302 38.796 38.487 0.012 0.000 0.974 183 N HN 0.683 nan 8.380 nan 0.000 0.482 184 N N -0.554 118.142 118.700 -0.007 0.000 3.277 184 N HA 0.032 4.764 4.740 -0.013 0.000 0.278 184 N C 0.029 175.523 175.510 -0.027 0.000 1.544 184 N CA -0.669 52.383 53.050 0.003 0.000 0.869 184 N CB 0.513 39.012 38.487 0.020 0.000 1.584 184 N HN -0.175 nan 8.380 nan 0.000 0.564 185 I N 0.171 120.732 120.570 -0.014 0.000 2.761 185 I HA 0.039 4.201 4.170 -0.013 0.000 0.261 185 I C 0.986 177.069 176.117 -0.056 0.000 1.198 185 I CA 1.162 62.433 61.300 -0.049 0.000 1.482 185 I CB -0.375 37.620 38.000 -0.008 0.000 1.100 185 I HN 0.451 nan 8.210 nan 0.000 0.445 186 D N 1.013 121.437 120.400 0.040 0.000 2.084 186 D HA -0.175 4.457 4.640 -0.013 0.000 0.194 186 D C 1.694 177.993 176.300 -0.001 0.000 0.990 186 D CA 1.454 55.501 54.000 0.077 0.000 0.826 186 D CB -0.193 40.682 40.800 0.126 0.000 0.971 186 D HN 0.350 nan 8.370 nan 0.000 0.453 187 D N 0.119 120.512 120.400 -0.013 0.000 2.104 187 D HA -0.124 4.508 4.640 -0.013 0.000 0.194 187 D C 2.323 178.544 176.300 -0.132 0.000 0.994 187 D CA 0.542 54.510 54.000 -0.054 0.000 0.830 187 D CB -0.505 40.248 40.800 -0.078 0.000 0.959 187 D HN 0.081 nan 8.370 nan 0.000 0.452 188 V N 1.234 121.051 119.914 -0.161 0.000 2.255 188 V HA -0.265 3.847 4.120 -0.013 0.000 0.247 188 V C 2.531 178.515 176.094 -0.184 0.000 1.051 188 V CA 1.372 63.556 62.300 -0.194 0.000 1.018 188 V CB -0.365 31.346 31.823 -0.188 0.000 0.641 188 V HN 0.200 nan 8.190 nan 0.000 0.445 189 M N -0.515 118.931 119.600 -0.256 0.000 2.108 189 M HA -0.172 4.300 4.480 -0.013 0.000 0.261 189 M C 2.295 178.494 176.300 -0.167 0.000 1.066 189 M CA 1.736 56.831 55.300 -0.342 0.000 1.107 189 M CB -1.296 30.835 32.600 -0.782 0.000 1.356 189 M HN 0.307 nan 8.290 nan 0.000 0.406 190 R N -1.062 119.400 120.500 -0.064 0.000 2.152 190 R HA -0.160 4.172 4.340 -0.013 0.000 0.232 190 R C 1.299 177.647 176.300 0.081 0.000 1.117 190 R CA 1.039 57.170 56.100 0.052 0.000 0.981 190 R CB -0.400 29.985 30.300 0.141 0.000 0.870 190 R HN 0.477 nan 8.270 nan 0.000 0.451 191 H N -0.966 117.988 119.070 -0.193 0.000 2.526 191 H HA 0.151 4.699 4.556 -0.013 0.000 0.274 191 H C -0.305 174.913 175.328 -0.184 0.000 0.999 191 H CA 0.168 56.040 56.048 -0.294 0.000 1.157 191 H CB 0.511 29.916 29.762 -0.596 0.000 1.407 191 H HN -0.092 nan 8.280 nan 0.000 0.568 192 T N 4.512 119.037 114.554 -0.049 0.000 2.728 192 T HA 0.165 4.507 4.350 -0.013 0.000 0.296 192 T C -2.501 172.168 174.700 -0.052 0.000 0.940 192 T CA -1.609 60.447 62.100 -0.072 0.000 1.013 192 T CB 1.310 70.102 68.868 -0.127 0.000 0.912 192 T HN 0.097 nan 8.240 nan 0.000 0.484 193 P HA 0.150 nan 4.420 nan 0.000 0.263 193 P C 0.983 178.253 177.300 -0.050 0.000 1.195 193 P CA 0.576 63.664 63.100 -0.019 0.000 0.762 193 P CB 0.401 32.111 31.700 0.016 0.000 0.799 194 G N 2.524 111.279 108.800 -0.074 0.000 2.175 194 G HA2 -0.183 3.769 3.960 -0.013 0.000 0.244 194 G HA3 -0.183 3.769 3.960 -0.013 0.000 0.244 194 G C -0.007 174.839 174.900 -0.090 0.000 0.982 194 G CA -0.419 44.627 45.100 -0.090 0.000 0.641 194 G HN 0.461 nan 8.290 nan 0.000 0.527 195 I N 1.368 121.889 120.570 -0.081 0.000 2.525 195 I HA 0.618 4.780 4.170 -0.013 0.000 0.301 195 I C 0.232 176.329 176.117 -0.034 0.000 0.992 195 I CA -0.544 60.722 61.300 -0.057 0.000 1.162 195 I CB 1.554 39.495 38.000 -0.097 0.000 1.332 195 I HN 0.005 nan 8.210 nan 0.000 0.458 196 T N 4.619 119.201 114.554 0.047 0.000 2.841 196 T HA 0.503 4.845 4.350 -0.013 0.000 0.285 196 T C -0.339 174.488 174.700 0.212 0.000 0.991 196 T CA -0.456 61.688 62.100 0.074 0.000 0.966 196 T CB 1.960 70.845 68.868 0.028 0.000 0.962 196 T HN 0.191 nan 8.240 nan 0.000 0.438 197 V N 4.019 124.042 119.914 0.181 0.000 2.394 197 V HA 0.658 4.770 4.120 -0.013 0.000 0.282 197 V C 0.188 176.415 176.094 0.222 0.000 1.031 197 V CA -0.514 61.930 62.300 0.240 0.000 0.881 197 V CB 1.295 33.250 31.823 0.219 0.000 0.982 197 V HN 1.096 nan 8.190 nan 0.000 0.451 198 S N 3.518 119.304 115.700 0.143 0.000 2.568 198 S HA 0.893 5.355 4.470 -0.013 0.000 0.293 198 S C -0.394 174.128 174.600 -0.131 0.000 1.089 198 S CA -0.705 57.577 58.200 0.136 0.000 0.945 198 S CB 2.070 65.472 63.200 0.336 0.000 1.077 198 S HN 1.084 nan 8.310 nan 0.000 0.485 199 A N 1.118 123.879 122.820 -0.100 0.000 2.289 199 A HA 0.644 4.956 4.320 -0.013 0.000 0.298 199 A C -0.242 177.132 177.584 -0.349 0.000 1.208 199 A CA -0.612 51.328 52.037 -0.162 0.000 0.845 199 A CB -0.214 18.766 19.000 -0.034 0.000 1.125 199 A HN 0.845 nan 8.150 nan 0.000 0.517 200 Y N 1.488 121.601 120.300 -0.312 0.000 2.201 200 Y HA 0.128 4.670 4.550 -0.013 0.000 0.292 200 Y C 0.687 176.512 175.900 -0.124 0.000 1.119 200 Y CA 1.398 59.164 58.100 -0.558 0.000 1.127 200 Y CB 0.104 38.175 38.460 -0.648 0.000 1.019 200 Y HN 0.834 nan 8.280 nan 0.000 0.514 201 D N -4.399 116.088 120.400 0.145 0.000 2.665 201 D HA 0.122 4.754 4.640 -0.013 0.000 0.287 201 D C 0.589 176.922 176.300 0.055 0.000 1.266 201 D CA -0.031 54.071 54.000 0.170 0.000 0.830 201 D CB 0.388 41.379 40.800 0.318 0.000 1.356 201 D HN -0.045 nan 8.370 nan 0.000 0.437 202 T N -3.404 111.144 114.554 -0.011 0.000 2.918 202 T HA -0.149 4.193 4.350 -0.013 0.000 0.271 202 T C 0.205 174.828 174.700 -0.128 0.000 1.104 202 T CA 1.338 63.313 62.100 -0.208 0.000 1.114 202 T CB -0.394 68.147 68.868 -0.545 0.000 0.855 202 T HN 0.503 nan 8.240 nan 0.000 0.518 203 D N 0.236 120.614 120.400 -0.037 0.000 2.599 203 D HA 0.240 4.872 4.640 -0.013 0.000 0.249 203 D C 0.024 176.082 176.300 -0.404 0.000 1.313 203 D CA -0.273 53.629 54.000 -0.163 0.000 0.815 203 D CB 0.752 41.471 40.800 -0.135 0.000 1.077 203 D HN 0.217 nan 8.370 nan 0.000 0.492 204 R N 0.727 121.096 120.500 -0.219 0.000 2.536 204 R HA 0.359 4.691 4.340 -0.013 0.000 0.269 204 R C -1.249 175.004 176.300 -0.080 0.000 1.113 204 R CA -0.381 55.592 56.100 -0.212 0.000 0.948 204 R CB 1.982 32.188 30.300 -0.156 0.000 1.237 204 R HN 0.017 nan 8.270 nan 0.000 0.441 205 N N 0.539 119.139 118.700 -0.168 0.000 2.457 205 N HA 0.387 5.119 4.740 -0.013 0.000 0.290 205 N C -1.144 174.084 175.510 -0.471 0.000 1.232 205 N CA -0.790 52.109 53.050 -0.251 0.000 0.852 205 N CB 1.508 39.943 38.487 -0.087 0.000 1.313 205 N HN 0.374 nan 8.380 nan 0.000 0.522 206 N N -0.105 118.261 118.700 -0.556 0.000 2.269 206 N HA 0.354 5.086 4.740 -0.013 0.000 0.304 206 N C -2.001 173.301 175.510 -0.348 0.000 1.072 206 N CA -0.430 52.246 53.050 -0.624 0.000 0.802 206 N CB 0.755 38.697 38.487 -0.909 0.000 1.348 206 N HN 0.354 nan 8.380 nan 0.000 0.484 207 Y N 2.604 122.756 120.300 -0.248 0.000 2.388 207 Y HA 0.357 4.899 4.550 -0.013 0.000 0.328 207 Y C -0.871 174.936 175.900 -0.156 0.000 0.963 207 Y CA -0.977 57.038 58.100 -0.141 0.000 1.240 207 Y CB 0.114 38.523 38.460 -0.084 0.000 1.118 207 Y HN 0.397 nan 8.280 nan 0.000 0.484 208 Y N 1.276 121.624 120.300 0.080 0.000 2.352 208 Y HA 0.766 5.308 4.550 -0.012 0.000 0.326 208 Y C 0.309 176.198 175.900 -0.018 0.000 1.166 208 Y CA -1.212 56.900 58.100 0.020 0.000 1.182 208 Y CB 1.380 39.822 38.460 -0.029 0.000 1.216 208 Y HN 0.593 nan 8.280 nan 0.000 0.474 209 A N 1.858 124.777 122.820 0.166 0.000 2.414 209 A HA 0.658 4.970 4.320 -0.013 0.000 0.306 209 A C 0.097 177.731 177.584 0.083 0.000 1.054 209 A CA -1.164 50.898 52.037 0.042 0.000 0.724 209 A CB 0.886 19.856 19.000 -0.050 0.000 1.267 209 A HN 0.958 nan 8.150 nan 0.000 0.418 210 R N 0.751 121.253 120.500 0.003 0.000 3.722 210 R HA -0.270 4.062 4.340 -0.013 0.000 0.284 210 R C 1.063 177.503 176.300 0.233 0.000 1.165 210 R CA 1.402 57.539 56.100 0.061 0.000 0.779 210 R CB -1.829 28.395 30.300 -0.126 0.000 1.179 210 R HN 2.418 nan 8.270 nan 0.000 0.491 211 G N -1.782 107.052 108.800 0.057 0.000 2.184 211 G HA2 -0.256 3.696 3.960 -0.013 0.000 0.206 211 G HA3 -0.256 3.696 3.960 -0.013 0.000 0.206 211 G C -0.110 174.436 174.900 -0.590 0.000 0.995 211 G CA -0.109 44.825 45.100 -0.277 0.000 0.651 211 G HN 0.222 nan 8.290 nan 0.000 0.511 212 F N 1.213 121.225 119.950 0.104 0.000 2.565 212 F HA 0.675 5.193 4.527 -0.014 0.000 0.313 212 F C 0.623 176.493 175.800 0.117 0.000 1.091 212 F CA -0.884 57.178 58.000 0.102 0.000 0.915 212 F CB 2.265 41.265 39.000 -0.001 0.000 1.208 212 F HN -0.041 nan 8.300 nan 0.000 0.453 213 S N 3.183 118.988 115.700 0.175 0.000 2.498 213 S HA 0.290 4.752 4.470 -0.013 0.000 0.281 213 S C 0.126 174.748 174.600 0.036 0.000 1.265 213 S CA -0.394 57.792 58.200 -0.024 0.000 1.071 213 S CB -0.187 62.976 63.200 -0.062 0.000 0.894 213 S HN 0.346 nan 8.310 nan 0.000 0.491 214 I N 3.990 124.554 120.570 -0.009 0.000 2.668 214 I HA -0.009 4.153 4.170 -0.013 0.000 0.285 214 I C 0.829 176.886 176.117 -0.100 0.000 1.168 214 I CA 0.472 61.725 61.300 -0.078 0.000 1.424 214 I CB 0.222 38.162 38.000 -0.099 0.000 1.377 214 I HN 0.663 nan 8.210 nan 0.000 0.560 215 N N 4.418 123.040 118.700 -0.130 0.000 2.466 215 N HA 0.197 4.929 4.740 -0.013 0.000 0.272 215 N C -1.277 174.172 175.510 -0.101 0.000 1.455 215 N CA -0.287 52.730 53.050 -0.056 0.000 0.875 215 N CB 0.344 38.834 38.487 0.005 0.000 1.372 215 N HN 0.466 nan 8.380 nan 0.000 0.492 216 N N 0.651 119.145 118.700 -0.343 0.000 2.448 216 N HA 0.351 5.084 4.740 -0.013 0.000 0.279 216 N C -1.500 173.697 175.510 -0.523 0.000 1.025 216 N CA -0.121 52.760 53.050 -0.282 0.000 0.898 216 N CB 1.093 39.419 38.487 -0.268 0.000 1.303 216 N HN -0.001 nan 8.380 nan 0.000 0.495 217 F N 0.616 120.499 119.950 -0.112 0.000 2.540 217 F HA 0.441 4.961 4.527 -0.011 0.000 0.317 217 F C 0.462 176.116 175.800 -0.244 0.000 1.104 217 F CA -0.627 57.257 58.000 -0.193 0.000 0.913 217 F CB 2.069 41.015 39.000 -0.090 0.000 1.170 217 F HN 0.117 nan 8.300 nan 0.000 0.450 218 Q N 1.319 120.936 119.800 -0.305 0.000 2.399 218 Q HA 0.572 4.904 4.340 -0.013 0.000 0.276 218 Q C -1.829 173.689 176.000 -0.803 0.000 1.098 218 Q CA -1.065 54.547 55.803 -0.318 0.000 0.827 218 Q CB 2.907 31.524 28.738 -0.201 0.000 1.386 218 Q HN 0.519 nan 8.270 nan 0.000 0.443 219 Y N 0.217 120.522 120.300 0.009 0.000 2.376 219 Y HA 0.202 4.745 4.550 -0.012 0.000 0.340 219 Y C -0.396 175.487 175.900 -0.029 0.000 0.965 219 Y CA -1.131 56.974 58.100 0.008 0.000 1.078 219 Y CB 1.405 39.879 38.460 0.023 0.000 1.193 219 Y HN 0.602 nan 8.280 nan 0.000 0.452 220 D N 2.762 123.200 120.400 0.062 0.000 2.706 220 D HA -0.200 4.432 4.640 -0.013 0.000 0.230 220 D C 1.339 177.642 176.300 0.005 0.000 1.184 220 D CA 1.910 55.921 54.000 0.018 0.000 0.628 220 D CB -0.881 39.908 40.800 -0.020 0.000 1.019 220 D HN 1.148 nan 8.370 nan 0.000 0.415 221 G N -0.735 108.043 108.800 -0.036 0.000 2.166 221 G HA2 -0.313 3.639 3.960 -0.013 0.000 0.260 221 G HA3 -0.313 3.639 3.960 -0.013 0.000 0.260 221 G C 0.314 175.189 174.900 -0.041 0.000 0.986 221 G CA 0.311 45.370 45.100 -0.067 0.000 0.683 221 G HN 0.509 nan 8.290 nan 0.000 0.527 222 I N 2.114 122.697 120.570 0.022 0.000 2.321 222 I HA 0.313 4.475 4.170 -0.013 0.000 0.291 222 I C -1.742 174.421 176.117 0.076 0.000 0.998 222 I CA -3.182 58.155 61.300 0.061 0.000 1.227 222 I CB 0.950 39.019 38.000 0.115 0.000 1.368 222 I HN -0.099 nan 8.210 nan 0.000 0.466 223 P HA 0.072 nan 4.420 nan 0.000 0.269 223 P C -0.147 177.218 177.300 0.109 0.000 1.209 223 P CA -0.011 63.111 63.100 0.037 0.000 0.776 223 P CB 0.792 32.484 31.700 -0.013 0.000 0.876 224 S N 1.110 116.903 115.700 0.154 0.000 2.745 224 S HA 0.495 4.957 4.470 -0.013 0.000 0.292 224 S C -0.151 174.502 174.600 0.087 0.000 1.133 224 S CA -0.555 57.742 58.200 0.162 0.000 0.998 224 S CB 0.291 63.647 63.200 0.260 0.000 1.087 224 S HN 0.359 nan 8.310 nan 0.000 0.551 225 T N 1.378 115.966 114.554 0.056 0.000 2.744 225 T HA 0.658 5.000 4.350 -0.013 0.000 0.291 225 T C 0.217 174.916 174.700 -0.001 0.000 0.957 225 T CA -0.310 61.772 62.100 -0.029 0.000 1.002 225 T CB 1.039 69.818 68.868 -0.148 0.000 0.919 225 T HN 0.957 nan 8.240 nan 0.000 0.468 226 A N 3.390 126.206 122.820 -0.006 0.000 2.674 226 A HA 0.311 4.623 4.320 -0.013 0.000 0.286 226 A C 1.582 179.182 177.584 0.027 0.000 0.980 226 A CA -0.495 51.570 52.037 0.046 0.000 1.028 226 A CB -0.050 19.033 19.000 0.139 0.000 1.199 226 A HN 0.793 nan 8.150 nan 0.000 0.499 227 R N 0.748 121.232 120.500 -0.027 0.000 2.407 227 R HA -0.199 4.133 4.340 -0.013 0.000 0.241 227 R C 0.067 176.432 176.300 0.108 0.000 1.180 227 R CA 1.627 57.747 56.100 0.033 0.000 1.048 227 R CB -0.336 29.970 30.300 0.011 0.000 0.847 227 R HN 0.933 nan 8.270 nan 0.000 0.488 228 N N -4.975 113.775 118.700 0.084 0.000 4.302 228 N HA -0.163 4.569 4.740 -0.013 0.000 0.227 228 N C 0.134 175.579 175.510 -0.108 0.000 1.246 228 N CA 0.073 53.140 53.050 0.029 0.000 0.734 228 N CB 0.333 38.877 38.487 0.095 0.000 1.561 228 N HN -0.200 nan 8.380 nan 0.000 0.411 229 V N -2.229 117.571 119.914 -0.189 0.000 3.444 229 V HA 0.292 4.404 4.120 -0.013 0.000 0.271 229 V C 1.597 177.389 176.094 -0.503 0.000 1.188 229 V CA 1.948 64.092 62.300 -0.261 0.000 1.168 229 V CB -1.246 30.479 31.823 -0.163 0.000 0.810 229 V HN 0.855 nan 8.190 nan 0.000 0.500 230 G N 0.242 108.535 108.800 -0.844 0.000 2.575 230 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.215 230 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.215 230 G C 1.206 175.436 174.900 -1.117 0.000 1.262 230 G CA 1.197 45.289 45.100 -1.680 0.000 0.807 230 G HN 0.579 nan 8.290 nan 0.000 0.567 231 Y N 1.363 121.191 120.300 -0.787 0.000 2.384 231 Y HA -0.025 4.518 4.550 -0.011 0.000 0.289 231 Y C 2.891 178.649 175.900 -0.237 0.000 1.152 231 Y CA 1.291 59.175 58.100 -0.361 0.000 1.258 231 Y CB 0.061 38.411 38.460 -0.183 0.000 0.979 231 Y HN 0.339 nan 8.280 nan 0.000 0.549 232 S N -0.637 114.987 115.700 -0.126 0.000 2.578 232 S HA 0.482 4.944 4.470 -0.013 0.000 0.231 232 S C 0.773 175.258 174.600 -0.191 0.000 0.994 232 S CA -0.223 57.897 58.200 -0.133 0.000 0.956 232 S CB -0.445 62.693 63.200 -0.102 0.000 0.870 232 S HN 0.254 nan 8.310 nan 0.000 0.494 233 A N 0.927 123.649 122.820 -0.163 0.000 2.616 233 A HA 0.357 4.669 4.320 -0.013 0.000 0.242 233 A C 1.661 179.124 177.584 -0.201 0.000 0.987 233 A CA 0.903 52.861 52.037 -0.133 0.000 0.800 233 A CB -1.320 17.680 19.000 0.001 0.000 0.883 233 A HN 1.936 nan 8.150 nan 0.000 0.496 234 G N 2.287 110.940 108.800 -0.244 0.000 2.184 234 G HA2 -0.339 3.613 3.960 -0.013 0.000 0.264 234 G HA3 -0.339 3.613 3.960 -0.013 0.000 0.264 234 G C 0.803 175.550 174.900 -0.257 0.000 0.975 234 G CA 0.975 45.935 45.100 -0.233 0.000 0.642 234 G HN 0.830 nan 8.290 nan 0.000 0.536 235 N N 0.119 118.603 118.700 -0.360 0.000 2.135 235 N HA -0.033 4.699 4.740 -0.013 0.000 0.186 235 N C 2.272 177.505 175.510 -0.461 0.000 1.027 235 N CA 1.864 54.571 53.050 -0.572 0.000 0.849 235 N CB -0.733 37.130 38.487 -1.040 0.000 1.002 235 N HN 0.434 nan 8.380 nan 0.000 0.425 236 T N -0.083 114.274 114.554 -0.327 0.000 2.918 236 T HA -0.073 4.269 4.350 -0.013 0.000 0.271 236 T C 1.132 175.810 174.700 -0.037 0.000 1.104 236 T CA 0.908 62.936 62.100 -0.119 0.000 1.114 236 T CB -0.116 68.611 68.868 -0.235 0.000 0.855 236 T HN 0.152 nan 8.240 nan 0.000 0.518 237 L N 0.888 122.049 121.223 -0.103 0.000 2.959 237 L HA 0.332 4.664 4.340 -0.013 0.000 0.259 237 L C 0.389 177.243 176.870 -0.028 0.000 1.185 237 L CA -0.422 54.382 54.840 -0.060 0.000 0.998 237 L CB 0.576 42.575 42.059 -0.099 0.000 1.337 237 L HN 0.029 nan 8.230 nan 0.000 0.555 238 S N 0.834 116.527 115.700 -0.013 0.000 2.525 238 S HA -0.024 4.438 4.470 -0.013 0.000 0.285 238 S C 0.163 174.802 174.600 0.065 0.000 1.283 238 S CA -0.116 58.106 58.200 0.038 0.000 1.072 238 S CB 0.541 63.785 63.200 0.072 0.000 0.867 238 S HN 0.187 nan 8.310 nan 0.000 0.492 239 D N 1.851 122.302 120.400 0.084 0.000 2.443 239 D HA -0.009 4.623 4.640 -0.013 0.000 0.239 239 D C 0.549 176.961 176.300 0.188 0.000 1.136 239 D CA -0.011 54.045 54.000 0.094 0.000 0.879 239 D CB 0.480 41.316 40.800 0.060 0.000 1.195 239 D HN 0.345 nan 8.370 nan 0.000 0.443 240 M N 2.849 122.536 119.600 0.145 0.000 2.494 240 M HA 0.041 4.513 4.480 -0.013 0.000 0.232 240 M C 1.524 177.936 176.300 0.187 0.000 1.137 240 M CA 0.040 55.474 55.300 0.222 0.000 1.012 240 M CB -0.548 32.109 32.600 0.095 0.000 1.567 240 M HN 0.431 nan 8.290 nan 0.000 0.486 241 A N 0.954 123.839 122.820 0.109 0.000 2.067 241 A HA -0.057 4.255 4.320 -0.013 0.000 0.219 241 A C 1.828 179.416 177.584 0.006 0.000 1.158 241 A CA 0.907 52.984 52.037 0.068 0.000 0.661 241 A CB -0.659 18.376 19.000 0.059 0.000 0.801 241 A HN 0.642 nan 8.150 nan 0.000 0.452 242 I N -5.037 115.448 120.570 -0.141 0.000 3.928 242 I HA 0.332 4.494 4.170 -0.013 0.000 0.335 242 I C -0.467 175.251 176.117 -0.665 0.000 1.325 242 I CA -0.564 60.462 61.300 -0.456 0.000 1.107 242 I CB -0.044 37.457 38.000 -0.831 0.000 1.014 242 I HN 0.104 nan 8.210 nan 0.000 0.400 243 Y N 0.818 121.092 120.300 -0.043 0.000 2.409 243 Y HA 0.310 4.852 4.550 -0.014 0.000 0.339 243 Y C 0.980 176.878 175.900 -0.002 0.000 1.033 243 Y CA -0.686 57.394 58.100 -0.032 0.000 1.094 243 Y CB 1.567 40.006 38.460 -0.034 0.000 1.210 243 Y HN -0.086 nan 8.280 nan 0.000 0.456 244 D N 1.196 121.693 120.400 0.162 0.000 2.149 244 D HA -0.038 4.594 4.640 -0.013 0.000 0.201 244 D C 0.226 176.581 176.300 0.092 0.000 0.972 244 D CA 1.193 55.258 54.000 0.109 0.000 0.835 244 D CB 0.431 41.283 40.800 0.087 0.000 0.966 244 D HN 0.663 nan 8.370 nan 0.000 0.476 245 R N -1.877 118.678 120.500 0.091 0.000 2.741 245 R HA 0.433 4.765 4.340 -0.013 0.000 0.276 245 R C -1.885 174.392 176.300 -0.038 0.000 1.028 245 R CA -1.018 55.094 56.100 0.020 0.000 0.865 245 R CB 1.077 31.383 30.300 0.009 0.000 1.268 245 R HN -0.088 nan 8.270 nan 0.000 0.475 246 V N 0.127 119.984 119.914 -0.095 0.000 2.604 246 V HA 0.610 4.722 4.120 -0.013 0.000 0.305 246 V C -0.896 175.115 176.094 -0.139 0.000 1.043 246 V CA -0.397 61.808 62.300 -0.157 0.000 0.888 246 V CB 1.796 33.483 31.823 -0.227 0.000 0.995 246 V HN 0.903 nan 8.190 nan 0.000 0.429 247 E N 5.056 125.164 120.200 -0.153 0.000 2.176 247 E HA 0.582 4.924 4.350 -0.013 0.000 0.267 247 E C -1.136 175.361 176.600 -0.172 0.000 0.893 247 E CA -0.844 55.472 56.400 -0.140 0.000 0.761 247 E CB 2.275 31.907 29.700 -0.113 0.000 1.133 247 E HN 0.890 nan 8.360 nan 0.000 0.409 248 V N 4.242 124.058 119.914 -0.163 0.000 2.328 248 V HA 0.363 4.475 4.120 -0.013 0.000 0.278 248 V C -1.047 174.946 176.094 -0.169 0.000 1.021 248 V CA -0.881 61.310 62.300 -0.182 0.000 0.838 248 V CB 1.012 32.719 31.823 -0.192 0.000 0.999 248 V HN 0.670 nan 8.190 nan 0.000 0.447 249 L N 7.551 128.662 121.223 -0.186 0.000 2.259 249 L HA 0.545 4.877 4.340 -0.013 0.000 0.288 249 L C 0.209 176.961 176.870 -0.196 0.000 1.051 249 L CA 0.025 54.758 54.840 -0.179 0.000 0.824 249 L CB 0.569 42.519 42.059 -0.181 0.000 1.206 249 L HN 0.684 nan 8.230 nan 0.000 0.429 250 K N 3.985 124.270 120.400 -0.192 0.000 2.185 250 K HA 0.716 5.028 4.320 -0.013 0.000 0.271 250 K C 0.402 176.850 176.600 -0.253 0.000 1.013 250 K CA 0.165 56.316 56.287 -0.227 0.000 0.943 250 K CB 1.207 33.566 32.500 -0.236 0.000 0.998 250 K HN 0.903 nan 8.250 nan 0.000 0.468 251 G N 0.754 109.379 108.800 -0.292 0.000 2.055 251 G HA2 0.118 4.070 3.960 -0.013 0.000 0.160 251 G HA3 0.118 4.070 3.960 -0.013 0.000 0.160 251 G C -1.591 173.122 174.900 -0.313 0.000 1.087 251 G CA -0.215 44.700 45.100 -0.308 0.000 1.269 251 G HN 0.731 nan 8.290 nan 0.000 0.461 252 A N 0.392 123.038 122.820 -0.290 0.000 2.522 252 A HA 0.740 5.052 4.320 -0.013 0.000 0.285 252 A C 0.339 177.770 177.584 -0.255 0.000 1.198 252 A CA 1.002 52.859 52.037 -0.300 0.000 0.742 252 A CB 0.863 19.669 19.000 -0.323 0.000 1.176 252 A HN 2.050 nan 8.150 nan 0.000 0.444 253 T N -0.471 113.937 114.554 -0.243 0.000 3.264 253 T HA 0.297 4.639 4.350 -0.013 0.000 0.257 253 T C 1.466 176.040 174.700 -0.210 0.000 0.976 253 T CA 0.669 62.643 62.100 -0.209 0.000 0.908 253 T CB 0.184 68.921 68.868 -0.218 0.000 1.082 253 T HN 0.868 nan 8.240 nan 0.000 0.567 254 G N 2.150 110.823 108.800 -0.212 0.000 2.505 254 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.220 254 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.220 254 G C 1.264 176.045 174.900 -0.198 0.000 1.145 254 G CA 1.179 46.151 45.100 -0.213 0.000 0.761 254 G HN 0.557 nan 8.290 nan 0.000 0.571 255 L N -0.134 120.988 121.223 -0.168 0.000 2.034 255 L HA -0.097 4.235 4.340 -0.013 0.000 0.217 255 L C 2.366 179.025 176.870 -0.351 0.000 1.077 255 L CA 1.908 56.616 54.840 -0.220 0.000 0.769 255 L CB -0.149 41.760 42.059 -0.250 0.000 0.890 255 L HN 0.282 nan 8.230 nan 0.000 0.435 256 L N -2.812 118.195 121.223 -0.361 0.000 2.701 256 L HA 0.100 4.432 4.340 -0.013 0.000 0.238 256 L C 1.802 178.487 176.870 -0.309 0.000 1.106 256 L CA 0.396 54.969 54.840 -0.444 0.000 0.898 256 L CB -0.067 41.728 42.059 -0.441 0.000 1.188 256 L HN 0.081 nan 8.230 nan 0.000 0.508 257 T N -0.223 114.181 114.554 -0.251 0.000 3.014 257 T HA 0.198 4.540 4.350 -0.013 0.000 0.263 257 T C 1.248 175.834 174.700 -0.189 0.000 1.078 257 T CA 0.912 62.888 62.100 -0.208 0.000 1.135 257 T CB 0.125 68.861 68.868 -0.219 0.000 0.895 257 T HN 0.557 nan 8.240 nan 0.000 0.480 258 G N 1.516 110.192 108.800 -0.207 0.000 2.528 258 G HA2 -0.066 3.886 3.960 -0.013 0.000 0.262 258 G HA3 -0.066 3.886 3.960 -0.013 0.000 0.262 258 G C 0.180 174.866 174.900 -0.357 0.000 1.200 258 G CA -0.376 44.600 45.100 -0.206 0.000 0.951 258 G HN 0.896 nan 8.290 nan 0.000 0.566 259 A N 0.322 122.861 122.820 -0.469 0.000 2.488 259 A HA 0.729 5.041 4.320 -0.013 0.000 0.249 259 A C 1.044 178.338 177.584 -0.482 0.000 1.083 259 A CA 1.611 53.185 52.037 -0.772 0.000 0.768 259 A CB 0.017 18.471 19.000 -0.910 0.000 1.017 259 A HN 2.639 nan 8.150 nan 0.000 0.496 260 G N 0.485 109.004 108.800 -0.468 0.000 2.441 260 G HA2 0.549 4.501 3.960 -0.013 0.000 0.294 260 G HA3 0.549 4.501 3.960 -0.013 0.000 0.294 260 G C -0.447 174.297 174.900 -0.261 0.000 1.393 260 G CA 0.002 44.922 45.100 -0.299 0.000 0.796 260 G HN 1.446 nan 8.290 nan 0.000 0.494 261 S N -0.603 114.978 115.700 -0.199 0.000 2.585 261 S HA 0.613 5.075 4.470 -0.013 0.000 0.273 261 S C 0.808 175.259 174.600 -0.248 0.000 1.339 261 S CA -0.595 57.503 58.200 -0.170 0.000 1.028 261 S CB 1.015 64.154 63.200 -0.100 0.000 0.906 261 S HN 0.623 nan 8.310 nan 0.000 0.528 262 L N 1.488 122.511 121.223 -0.334 0.000 2.425 262 L HA 0.458 4.790 4.340 -0.013 0.000 0.225 262 L C 1.870 178.449 176.870 -0.485 0.000 1.222 262 L CA 0.828 55.324 54.840 -0.572 0.000 0.832 262 L CB -0.604 40.786 42.059 -1.115 0.000 1.238 262 L HN 1.116 nan 8.230 nan 0.000 0.533 263 G N -0.256 108.220 108.800 -0.539 0.000 3.922 263 G HA2 -0.068 3.884 3.960 -0.013 0.000 0.208 263 G HA3 -0.068 3.884 3.960 -0.013 0.000 0.208 263 G C -0.087 174.681 174.900 -0.221 0.000 1.491 263 G CA 0.154 45.117 45.100 -0.228 0.000 1.017 263 G HN 1.415 nan 8.290 nan 0.000 0.603 264 A N -1.854 120.831 122.820 -0.225 0.000 2.550 264 A HA 0.704 5.016 4.320 -0.013 0.000 0.295 264 A C -0.624 176.805 177.584 -0.258 0.000 1.001 264 A CA 0.869 52.768 52.037 -0.230 0.000 0.660 264 A CB 0.504 19.383 19.000 -0.201 0.000 1.308 264 A HN 1.303 nan 8.150 nan 0.000 0.426 265 T N 1.566 115.963 114.554 -0.263 0.000 2.824 265 T HA 0.627 4.969 4.350 -0.013 0.000 0.280 265 T C -0.224 174.287 174.700 -0.315 0.000 0.995 265 T CA -0.096 61.824 62.100 -0.299 0.000 1.009 265 T CB 0.630 69.340 68.868 -0.263 0.000 0.955 265 T HN 0.447 nan 8.240 nan 0.000 0.452 266 I N 3.778 124.105 120.570 -0.406 0.000 2.336 266 I HA 0.390 4.552 4.170 -0.013 0.000 0.292 266 I C -0.003 175.912 176.117 -0.337 0.000 0.991 266 I CA -0.693 60.382 61.300 -0.375 0.000 1.227 266 I CB 1.098 38.819 38.000 -0.464 0.000 1.366 266 I HN 0.469 nan 8.210 nan 0.000 0.466 267 N N 7.253 125.780 118.700 -0.289 0.000 2.491 267 N HA 0.448 5.180 4.740 -0.013 0.000 0.274 267 N C -1.559 173.780 175.510 -0.285 0.000 1.023 267 N CA -0.468 52.407 53.050 -0.292 0.000 0.902 267 N CB 1.101 39.455 38.487 -0.223 0.000 1.267 267 N HN 0.357 nan 8.380 nan 0.000 0.503 268 L N 3.721 124.709 121.223 -0.390 0.000 2.276 268 L HA 0.498 4.830 4.340 -0.013 0.000 0.286 268 L C -0.124 176.727 176.870 -0.031 0.000 1.061 268 L CA -0.361 54.273 54.840 -0.342 0.000 0.807 268 L CB 0.909 42.577 42.059 -0.652 0.000 1.177 268 L HN 0.464 nan 8.230 nan 0.000 0.429 269 I N 3.671 124.305 120.570 0.105 0.000 2.339 269 I HA 0.361 4.523 4.170 -0.013 0.000 0.290 269 I C 0.516 176.800 176.117 0.279 0.000 0.994 269 I CA -0.494 60.896 61.300 0.150 0.000 1.191 269 I CB 1.281 39.324 38.000 0.072 0.000 1.343 269 I HN 0.594 nan 8.210 nan 0.000 0.458 270 R N 4.387 124.974 120.500 0.145 0.000 2.643 270 R HA 0.183 4.515 4.340 -0.013 0.000 0.270 270 R C 0.213 176.520 176.300 0.011 0.000 1.061 270 R CA -0.443 55.612 56.100 -0.075 0.000 1.107 270 R CB 0.965 31.177 30.300 -0.146 0.000 0.999 270 R HN 0.464 nan 8.270 nan 0.000 0.460 271 K N 2.395 122.777 120.400 -0.030 0.000 2.319 271 K HA 0.044 4.357 4.320 -0.013 0.000 0.265 271 K C -0.007 176.711 176.600 0.198 0.000 1.000 271 K CA 0.496 56.844 56.287 0.101 0.000 0.943 271 K CB 0.590 33.156 32.500 0.110 0.000 0.950 271 K HN 0.337 nan 8.250 nan 0.000 0.485 272 K N 1.617 122.098 120.400 0.135 0.000 2.395 272 K HA 0.432 4.744 4.320 -0.013 0.000 0.245 272 K C -2.565 174.063 176.600 0.047 0.000 1.017 272 K CA -2.098 54.255 56.287 0.111 0.000 0.852 272 K CB 1.673 34.230 32.500 0.095 0.000 1.311 272 K HN 0.317 nan 8.250 nan 0.000 0.452 273 P HA 0.136 nan 4.420 nan 0.000 0.276 273 P C -0.949 176.316 177.300 -0.058 0.000 1.252 273 P CA -0.409 62.656 63.100 -0.058 0.000 0.802 273 P CB 0.756 32.385 31.700 -0.118 0.000 1.035 274 T N -3.304 111.201 114.554 -0.080 0.000 2.916 274 T HA 0.407 4.749 4.350 -0.013 0.000 0.292 274 T C 0.434 175.075 174.700 -0.098 0.000 1.064 274 T CA -0.325 61.755 62.100 -0.034 0.000 1.011 274 T CB 0.966 69.825 68.868 -0.015 0.000 1.152 274 T HN 0.264 nan 8.240 nan 0.000 0.510 275 H N -0.188 118.839 119.070 -0.073 0.000 2.544 275 H HA 0.229 4.777 4.556 -0.013 0.000 0.269 275 H C 0.586 175.877 175.328 -0.063 0.000 0.970 275 H CA 0.498 56.491 56.048 -0.091 0.000 1.219 275 H CB 0.338 30.004 29.762 -0.160 0.000 1.421 275 H HN 0.764 nan 8.280 nan 0.000 0.555 276 E N 0.185 120.424 120.200 0.065 0.000 2.214 276 E HA 0.198 4.540 4.350 -0.013 0.000 0.274 276 E C -0.827 175.826 176.600 0.088 0.000 0.977 276 E CA -1.034 55.404 56.400 0.065 0.000 0.827 276 E CB 1.232 30.957 29.700 0.040 0.000 1.130 276 E HN 0.049 nan 8.360 nan 0.000 0.394 277 F N 2.633 122.577 119.950 -0.011 0.000 2.484 277 F HA 0.251 4.770 4.527 -0.014 0.000 0.360 277 F C -0.181 175.630 175.800 0.019 0.000 1.101 277 F CA 0.129 58.123 58.000 -0.009 0.000 1.251 277 F CB 0.456 39.448 39.000 -0.013 0.000 1.132 277 F HN 0.596 nan 8.300 nan 0.000 0.570 278 K N 4.333 124.141 120.400 -0.987 0.000 2.587 278 K HA 0.787 5.099 4.320 -0.013 0.000 0.276 278 K C -1.367 174.769 176.600 -0.774 0.000 0.956 278 K CA -0.963 54.772 56.287 -0.921 0.000 0.857 278 K CB 1.541 33.831 32.500 -0.349 0.000 1.431 278 K HN 0.933 nan 8.250 nan 0.000 0.420 279 G N 1.135 109.654 108.800 -0.469 0.000 2.600 279 G HA2 0.587 4.539 3.960 -0.013 0.000 0.293 279 G HA3 0.587 4.539 3.960 -0.013 0.000 0.293 279 G C -1.752 172.751 174.900 -0.661 0.000 1.408 279 G CA -0.714 44.211 45.100 -0.293 0.000 0.782 279 G HN 0.966 nan 8.290 nan 0.000 0.482 280 H N -2.589 116.093 119.070 -0.647 0.000 2.977 280 H HA 0.787 5.335 4.556 -0.013 0.000 0.350 280 H C -1.790 173.194 175.328 -0.573 0.000 1.238 280 H CA -1.049 54.456 56.048 -0.904 0.000 1.124 280 H CB 1.746 31.239 29.762 -0.448 0.000 1.866 280 H HN 0.546 nan 8.280 nan 0.000 0.550 281 V N 0.731 120.491 119.914 -0.256 0.000 2.638 281 V HA 0.320 4.432 4.120 -0.013 0.000 0.306 281 V C -0.346 175.865 176.094 0.195 0.000 1.052 281 V CA -0.668 61.667 62.300 0.060 0.000 0.885 281 V CB 1.809 33.741 31.823 0.181 0.000 0.999 281 V HN 0.861 nan 8.190 nan 0.000 0.424 282 E N 3.562 123.888 120.200 0.210 0.000 2.248 282 E HA 0.743 5.085 4.350 -0.013 0.000 0.267 282 E C -1.828 174.869 176.600 0.162 0.000 0.877 282 E CA -0.620 55.881 56.400 0.168 0.000 0.759 282 E CB 1.992 31.769 29.700 0.128 0.000 1.182 282 E HN 0.623 nan 8.360 nan 0.000 0.418 283 L N 3.088 124.403 121.223 0.153 0.000 2.385 283 L HA 0.737 5.069 4.340 -0.013 0.000 0.273 283 L C -0.055 176.900 176.870 0.141 0.000 0.990 283 L CA -0.859 54.075 54.840 0.157 0.000 0.821 283 L CB 2.097 44.254 42.059 0.162 0.000 1.279 283 L HN 0.675 nan 8.230 nan 0.000 0.412 284 G N 1.787 110.674 108.800 0.145 0.000 2.563 284 G HA2 0.797 4.749 3.960 -0.013 0.000 0.302 284 G HA3 0.797 4.749 3.960 -0.013 0.000 0.302 284 G C -1.631 173.351 174.900 0.137 0.000 1.301 284 G CA -0.505 44.671 45.100 0.126 0.000 0.965 284 G HN 0.692 nan 8.290 nan 0.000 0.480 285 A N 0.346 123.236 122.820 0.117 0.000 2.414 285 A HA 0.897 5.209 4.320 -0.013 0.000 0.286 285 A C 0.112 177.707 177.584 0.019 0.000 1.073 285 A CA 0.077 52.126 52.037 0.020 0.000 0.727 285 A CB 1.377 20.416 19.000 0.065 0.000 1.215 285 A HN 1.641 nan 8.150 nan 0.000 0.430 286 G N 0.293 109.031 108.800 -0.103 0.000 3.042 286 G HA2 0.601 4.553 3.960 -0.013 0.000 0.278 286 G HA3 0.601 4.553 3.960 -0.013 0.000 0.278 286 G C -0.111 174.677 174.900 -0.186 0.000 1.371 286 G CA -0.436 44.617 45.100 -0.078 0.000 1.009 286 G HN 0.917 nan 8.290 nan 0.000 0.523 287 S N 0.100 115.620 115.700 -0.299 0.000 2.550 287 S HA 0.090 4.552 4.470 -0.013 0.000 0.285 287 S C -0.114 174.256 174.600 -0.383 0.000 1.326 287 S CA 0.637 58.484 58.200 -0.588 0.000 1.037 287 S CB -0.117 62.317 63.200 -1.276 0.000 0.838 287 S HN 0.714 nan 8.310 nan 0.000 0.519 288 W N 1.092 122.410 121.300 0.030 0.000 5.361 288 W HA -0.180 4.473 4.660 -0.013 0.000 0.385 288 W C -0.247 176.280 176.519 0.013 0.000 1.458 288 W CA 0.403 57.779 57.345 0.051 0.000 0.922 288 W CB -2.970 26.570 29.460 0.133 0.000 2.606 288 W HN 0.966 nan 8.180 nan 0.000 1.450 289 D N -0.691 119.715 120.400 0.009 0.000 2.708 289 D HA -0.219 4.413 4.640 -0.013 0.000 0.236 289 D C 0.247 176.450 176.300 -0.162 0.000 1.146 289 D CA 1.413 55.339 54.000 -0.123 0.000 0.662 289 D CB -1.128 39.690 40.800 0.030 0.000 1.059 289 D HN 0.347 nan 8.370 nan 0.000 0.428 290 N N 0.861 119.410 118.700 -0.253 0.000 2.437 290 N HA 0.161 4.893 4.740 -0.013 0.000 0.243 290 N C -1.257 174.048 175.510 -0.340 0.000 1.041 290 N CA -0.007 52.966 53.050 -0.129 0.000 0.940 290 N CB 0.247 38.740 38.487 0.009 0.000 1.133 290 N HN 0.052 nan 8.380 nan 0.000 0.506 291 Y N 1.844 122.188 120.300 0.073 0.000 2.409 291 Y HA 0.486 5.027 4.550 -0.014 0.000 0.339 291 Y C 0.716 176.625 175.900 0.014 0.000 1.033 291 Y CA -0.857 57.277 58.100 0.056 0.000 1.094 291 Y CB 1.631 40.134 38.460 0.071 0.000 1.210 291 Y HN 0.335 nan 8.280 nan 0.000 0.456 292 R N 1.460 122.084 120.500 0.207 0.000 2.725 292 R HA 0.798 5.130 4.340 -0.013 0.000 0.277 292 R C -1.506 174.886 176.300 0.154 0.000 0.987 292 R CA -0.590 55.581 56.100 0.119 0.000 0.901 292 R CB 1.704 32.047 30.300 0.071 0.000 1.207 292 R HN 0.834 nan 8.270 nan 0.000 0.463 293 S N 1.378 117.168 115.700 0.151 0.000 2.588 293 S HA 0.551 5.013 4.470 -0.013 0.000 0.275 293 S C -1.169 173.519 174.600 0.147 0.000 1.130 293 S CA -0.892 57.409 58.200 0.169 0.000 0.855 293 S CB 2.257 65.578 63.200 0.201 0.000 1.116 293 S HN 0.698 nan 8.310 nan 0.000 0.472 294 E N 0.319 120.605 120.200 0.145 0.000 2.347 294 E HA 0.522 4.864 4.350 -0.013 0.000 0.285 294 E C -2.334 174.331 176.600 0.108 0.000 0.925 294 E CA -0.672 55.802 56.400 0.124 0.000 0.779 294 E CB 1.871 31.657 29.700 0.143 0.000 1.233 294 E HN 0.590 nan 8.360 nan 0.000 0.414 295 L N 3.653 124.912 121.223 0.061 0.000 2.386 295 L HA 0.624 4.956 4.340 -0.013 0.000 0.271 295 L C -1.710 175.113 176.870 -0.078 0.000 0.993 295 L CA -0.299 54.548 54.840 0.011 0.000 0.819 295 L CB 1.844 43.948 42.059 0.075 0.000 1.294 295 L HN 0.487 nan 8.230 nan 0.000 0.414 296 D N 3.823 124.075 120.400 -0.246 0.000 2.602 296 D HA 0.513 5.146 4.640 -0.013 0.000 0.245 296 D C -1.610 174.569 176.300 -0.202 0.000 1.325 296 D CA -0.075 53.758 54.000 -0.277 0.000 0.952 296 D CB 1.695 42.157 40.800 -0.564 0.000 1.317 296 D HN 0.371 nan 8.370 nan 0.000 0.577 297 V N 1.042 120.911 119.914 -0.074 0.000 2.735 297 V HA 0.909 5.021 4.120 -0.013 0.000 0.310 297 V C -0.091 175.972 176.094 -0.051 0.000 1.061 297 V CA -0.751 61.525 62.300 -0.040 0.000 0.913 297 V CB 1.584 33.446 31.823 0.065 0.000 1.005 297 V HN 0.450 nan 8.190 nan 0.000 0.428 298 S N 1.426 117.077 115.700 -0.081 0.000 2.588 298 S HA 1.016 5.478 4.470 -0.013 0.000 0.275 298 S C -0.253 174.341 174.600 -0.009 0.000 1.130 298 S CA 0.407 58.567 58.200 -0.066 0.000 0.855 298 S CB 1.776 64.922 63.200 -0.091 0.000 1.116 298 S HN 2.450 nan 8.310 nan 0.000 0.472 299 G N 2.107 110.899 108.800 -0.012 0.000 2.369 299 G HA2 0.253 4.206 3.960 -0.013 0.000 0.293 299 G HA3 0.253 4.206 3.960 -0.013 0.000 0.293 299 G C -3.578 171.295 174.900 -0.044 0.000 1.301 299 G CA -0.651 44.468 45.100 0.032 0.000 0.913 299 G HN 0.597 nan 8.290 nan 0.000 0.540 300 P HA 0.437 nan 4.420 nan 0.000 0.278 300 P C 0.313 177.569 177.300 -0.073 0.000 1.238 300 P CA -0.298 62.748 63.100 -0.090 0.000 0.794 300 P CB 1.622 33.288 31.700 -0.055 0.000 0.955 301 L N 0.963 122.125 121.223 -0.101 0.000 2.817 301 L HA 0.179 4.512 4.340 -0.013 0.000 0.248 301 L C 0.900 177.727 176.870 -0.071 0.000 1.133 301 L CA 0.380 55.165 54.840 -0.092 0.000 0.935 301 L CB 0.431 42.416 42.059 -0.122 0.000 1.266 301 L HN 0.501 nan 8.230 nan 0.000 0.535 302 T N -4.714 109.804 114.554 -0.061 0.000 2.909 302 T HA 0.155 4.497 4.350 -0.013 0.000 0.299 302 T C 0.873 175.555 174.700 -0.030 0.000 1.073 302 T CA -0.580 61.498 62.100 -0.037 0.000 0.999 302 T CB 2.037 70.892 68.868 -0.022 0.000 1.098 302 T HN 0.244 nan 8.240 nan 0.000 0.477 303 E N 2.145 122.332 120.200 -0.022 0.000 2.114 303 E HA -0.282 4.060 4.350 -0.013 0.000 0.199 303 E C 1.647 178.243 176.600 -0.008 0.000 1.008 303 E CA 2.263 58.653 56.400 -0.016 0.000 0.810 303 E CB -0.686 29.006 29.700 -0.012 0.000 0.739 303 E HN 0.693 nan 8.360 nan 0.000 0.456 304 S N 0.086 115.785 115.700 -0.002 0.000 2.356 304 S HA 0.060 4.522 4.470 -0.013 0.000 0.223 304 S C 1.931 176.538 174.600 0.011 0.000 1.032 304 S CA 1.151 59.356 58.200 0.008 0.000 1.005 304 S CB -0.371 62.838 63.200 0.015 0.000 0.867 304 S HN 0.756 nan 8.310 nan 0.000 0.449 305 G N 2.026 110.826 108.800 0.000 0.000 2.229 305 G HA2 -0.228 3.724 3.960 -0.013 0.000 0.189 305 G HA3 -0.228 3.724 3.960 -0.013 0.000 0.189 305 G C 0.613 175.501 174.900 -0.021 0.000 1.000 305 G CA 0.207 45.310 45.100 0.004 0.000 0.663 305 G HN 0.576 nan 8.290 nan 0.000 0.493 306 N N 0.531 119.227 118.700 -0.007 0.000 2.467 306 N HA 0.137 4.869 4.740 -0.013 0.000 0.184 306 N C 0.784 176.272 175.510 -0.037 0.000 1.106 306 N CA 1.032 54.087 53.050 0.007 0.000 0.892 306 N CB 0.507 39.021 38.487 0.046 0.000 0.969 306 N HN 1.292 nan 8.380 nan 0.000 0.454 307 V N -1.491 118.361 119.914 -0.103 0.000 2.483 307 V HA 0.656 4.768 4.120 -0.013 0.000 0.297 307 V C -0.857 175.069 176.094 -0.280 0.000 1.027 307 V CA -0.973 61.177 62.300 -0.250 0.000 0.855 307 V CB 1.588 33.255 31.823 -0.260 0.000 0.995 307 V HN -0.028 nan 8.190 nan 0.000 0.424 308 R N 3.505 123.795 120.500 -0.350 0.000 2.740 308 R HA 0.889 5.221 4.340 -0.013 0.000 0.282 308 R C 0.019 176.146 176.300 -0.288 0.000 0.969 308 R CA -0.105 55.816 56.100 -0.298 0.000 0.918 308 R CB 2.478 32.572 30.300 -0.343 0.000 1.175 308 R HN 1.098 nan 8.270 nan 0.000 0.464 309 G N 0.602 109.276 108.800 -0.210 0.000 2.658 309 G HA2 0.688 4.640 3.960 -0.013 0.000 0.292 309 G HA3 0.688 4.640 3.960 -0.013 0.000 0.292 309 G C -1.572 173.243 174.900 -0.142 0.000 1.320 309 G CA -0.595 44.391 45.100 -0.190 0.000 0.933 309 G HN 0.439 nan 8.290 nan 0.000 0.476 310 R N -0.682 119.720 120.500 -0.163 0.000 2.566 310 R HA 0.650 4.983 4.340 -0.013 0.000 0.271 310 R C -1.350 174.834 176.300 -0.194 0.000 1.071 310 R CA -0.497 55.520 56.100 -0.138 0.000 0.915 310 R CB 1.954 32.197 30.300 -0.094 0.000 1.228 310 R HN 0.958 nan 8.270 nan 0.000 0.449 311 A N 3.087 125.843 122.820 -0.106 0.000 2.374 311 A HA 0.698 5.011 4.320 -0.013 0.000 0.305 311 A C -1.454 176.137 177.584 0.011 0.000 1.053 311 A CA -0.622 51.373 52.037 -0.070 0.000 0.726 311 A CB 1.921 20.899 19.000 -0.038 0.000 1.229 311 A HN 0.661 nan 8.150 nan 0.000 0.431 312 V N 0.787 120.756 119.914 0.092 0.000 2.808 312 V HA 0.931 5.043 4.120 -0.013 0.000 0.308 312 V C -0.667 175.514 176.094 0.144 0.000 1.099 312 V CA 0.172 62.542 62.300 0.116 0.000 0.920 312 V CB 1.570 33.474 31.823 0.135 0.000 1.014 312 V HN 2.157 nan 8.190 nan 0.000 0.425 313 A N 4.564 127.435 122.820 0.086 0.000 2.414 313 A HA 1.084 5.396 4.320 -0.013 0.000 0.306 313 A C -0.337 177.246 177.584 -0.001 0.000 1.054 313 A CA -0.197 51.852 52.037 0.019 0.000 0.724 313 A CB 1.920 20.990 19.000 0.117 0.000 1.267 313 A HN 2.563 nan 8.150 nan 0.000 0.418 314 A N 0.894 123.672 122.820 -0.070 0.000 2.488 314 A HA 0.667 4.979 4.320 -0.013 0.000 0.295 314 A C -1.835 175.778 177.584 0.049 0.000 1.045 314 A CA -0.329 51.719 52.037 0.018 0.000 0.703 314 A CB 1.022 20.035 19.000 0.022 0.000 1.271 314 A HN 1.766 nan 8.150 nan 0.000 0.400 315 Y N 1.296 121.585 120.300 -0.020 0.000 2.406 315 Y HA 0.685 5.225 4.550 -0.015 0.000 0.340 315 Y C -0.541 175.393 175.900 0.056 0.000 0.975 315 Y CA -0.439 57.662 58.100 0.003 0.000 1.056 315 Y CB 2.009 40.480 38.460 0.018 0.000 1.210 315 Y HN 0.855 nan 8.280 nan 0.000 0.448 316 Q N 4.155 123.539 119.800 -0.692 0.000 2.372 316 Q HA 0.466 4.798 4.340 -0.013 0.000 0.273 316 Q C -2.316 173.360 176.000 -0.540 0.000 1.078 316 Q CA -0.739 54.803 55.803 -0.434 0.000 0.806 316 Q CB 1.939 30.579 28.738 -0.163 0.000 1.332 316 Q HN 0.679 nan 8.270 nan 0.000 0.435 317 D N 2.555 122.815 120.400 -0.234 0.000 2.602 317 D HA 0.307 4.939 4.640 -0.013 0.000 0.245 317 D C -1.888 174.481 176.300 0.115 0.000 1.325 317 D CA -0.428 53.527 54.000 -0.075 0.000 0.952 317 D CB 0.990 41.805 40.800 0.026 0.000 1.317 317 D HN 0.575 nan 8.370 nan 0.000 0.577 318 K N 2.392 122.842 120.400 0.083 0.000 2.427 318 K HA 0.507 4.819 4.320 -0.013 0.000 0.252 318 K C -0.021 176.675 176.600 0.161 0.000 0.931 318 K CA -0.790 55.596 56.287 0.164 0.000 0.793 318 K CB 2.153 34.744 32.500 0.152 0.000 1.211 318 K HN 0.252 nan 8.250 nan 0.000 0.426 319 H N 0.535 119.689 119.070 0.139 0.000 2.309 319 H HA 0.396 4.945 4.556 -0.012 0.000 0.280 319 H C -0.245 175.202 175.328 0.199 0.000 1.641 319 H CA -0.267 55.859 56.048 0.130 0.000 1.505 319 H CB 1.454 31.304 29.762 0.147 0.000 1.731 319 H HN 0.677 nan 8.280 nan 0.000 0.748 320 S N -1.099 114.770 115.700 0.281 0.000 2.627 320 S HA 0.052 4.514 4.470 -0.013 0.000 0.268 320 S C 0.121 174.358 174.600 -0.604 0.000 1.130 320 S CA -0.452 57.734 58.200 -0.023 0.000 0.819 320 S CB 0.012 63.175 63.200 -0.061 0.000 1.100 320 S HN 0.518 nan 8.310 nan 0.000 0.465 321 F N 1.624 120.695 119.950 -1.465 0.000 2.325 321 F HA 0.440 4.960 4.527 -0.011 0.000 0.299 321 F C 0.875 176.317 175.800 -0.597 0.000 1.090 321 F CA 0.160 57.252 58.000 -1.513 0.000 1.392 321 F CB -0.324 37.705 39.000 -1.618 0.000 1.053 321 F HN 0.347 nan 8.300 nan 0.000 0.521 322 M N 1.900 120.724 119.600 -1.292 0.000 2.238 322 M HA 0.050 4.522 4.480 -0.013 0.000 0.347 322 M C -0.304 175.710 176.300 -0.477 0.000 1.173 322 M CA -0.084 54.700 55.300 -0.861 0.000 1.147 322 M CB 0.407 32.478 32.600 -0.880 0.000 1.547 322 M HN 0.054 nan 8.290 nan 0.000 0.455 323 D N 2.139 122.301 120.400 -0.396 0.000 2.424 323 D HA -0.028 4.604 4.640 -0.013 0.000 0.244 323 D C 0.860 176.816 176.300 -0.573 0.000 1.134 323 D CA 0.729 54.539 54.000 -0.316 0.000 0.881 323 D CB 0.422 41.103 40.800 -0.197 0.000 1.191 323 D HN 0.792 nan 8.370 nan 0.000 0.445 324 H N 1.232 120.263 119.070 -0.066 0.000 2.845 324 H HA -0.325 4.223 4.556 -0.013 0.000 0.296 324 H C -1.114 174.187 175.328 -0.044 0.000 1.116 324 H CA 0.527 56.534 56.048 -0.069 0.000 1.162 324 H CB -2.553 27.121 29.762 -0.146 0.000 1.338 324 H HN 0.480 nan 8.280 nan 0.000 0.370 325 Y N 2.396 122.532 120.300 -0.273 0.000 2.327 325 Y HA 0.426 4.969 4.550 -0.012 0.000 0.336 325 Y C 0.374 176.173 175.900 -0.169 0.000 1.035 325 Y CA -0.112 57.870 58.100 -0.197 0.000 1.165 325 Y CB 0.949 39.258 38.460 -0.252 0.000 1.181 325 Y HN 0.561 nan 8.280 nan 0.000 0.494 326 E N 5.209 124.976 120.200 -0.722 0.000 2.416 326 E HA 0.644 4.986 4.350 -0.013 0.000 0.273 326 E C -1.665 174.504 176.600 -0.718 0.000 0.935 326 E CA -1.417 54.596 56.400 -0.646 0.000 0.784 326 E CB 2.226 31.549 29.700 -0.630 0.000 1.301 326 E HN 0.631 nan 8.360 nan 0.000 0.454 327 R N 1.468 121.734 120.500 -0.390 0.000 2.549 327 R HA 0.273 4.606 4.340 -0.013 0.000 0.291 327 R C -1.429 174.808 176.300 -0.105 0.000 1.164 327 R CA -0.603 55.351 56.100 -0.242 0.000 0.973 327 R CB 1.255 31.455 30.300 -0.166 0.000 1.210 327 R HN 0.543 nan 8.270 nan 0.000 0.422 328 K N 2.540 122.902 120.400 -0.064 0.000 2.227 328 K HA 0.240 4.552 4.320 -0.013 0.000 0.280 328 K C -0.408 176.180 176.600 -0.020 0.000 1.041 328 K CA -0.397 55.867 56.287 -0.038 0.000 0.905 328 K CB 1.860 34.413 32.500 0.088 0.000 1.068 328 K HN 0.601 nan 8.250 nan 0.000 0.470 329 T N -0.775 113.729 114.554 -0.085 0.000 2.841 329 T HA 0.442 4.784 4.350 -0.013 0.000 0.283 329 T C -0.604 174.110 174.700 0.023 0.000 1.000 329 T CA -0.651 61.436 62.100 -0.021 0.000 0.977 329 T CB 1.319 70.169 68.868 -0.030 0.000 0.979 329 T HN 0.292 nan 8.240 nan 0.000 0.446 330 S N 2.232 117.995 115.700 0.105 0.000 2.561 330 S HA 0.709 5.171 4.470 -0.013 0.000 0.303 330 S C -0.677 173.929 174.600 0.009 0.000 1.110 330 S CA -0.749 57.543 58.200 0.154 0.000 1.034 330 S CB 1.395 64.787 63.200 0.319 0.000 1.010 330 S HN 1.191 nan 8.310 nan 0.000 0.482 331 V N 3.512 123.315 119.914 -0.186 0.000 2.709 331 V HA 0.810 4.922 4.120 -0.013 0.000 0.308 331 V C -2.278 173.569 176.094 -0.411 0.000 1.062 331 V CA -0.506 61.706 62.300 -0.148 0.000 0.901 331 V CB 1.417 33.222 31.823 -0.031 0.000 1.003 331 V HN 0.823 nan 8.190 nan 0.000 0.425 332 Y N 5.340 125.825 120.300 0.309 0.000 2.477 332 Y HA 0.806 5.347 4.550 -0.015 0.000 0.347 332 Y C -0.818 175.263 175.900 0.302 0.000 0.981 332 Y CA -0.735 57.514 58.100 0.248 0.000 1.033 332 Y CB 2.221 40.788 38.460 0.179 0.000 1.245 332 Y HN 0.858 nan 8.280 nan 0.000 0.455 333 Y N 0.643 121.079 120.300 0.227 0.000 2.482 333 Y HA 0.776 5.318 4.550 -0.014 0.000 0.334 333 Y C -1.054 174.908 175.900 0.103 0.000 1.091 333 Y CA -1.374 56.815 58.100 0.148 0.000 1.027 333 Y CB 2.200 40.707 38.460 0.078 0.000 1.306 333 Y HN 0.715 nan 8.280 nan 0.000 0.446 334 G N 5.454 114.030 108.800 -0.373 0.000 2.701 334 G HA2 0.606 4.558 3.960 -0.013 0.000 0.300 334 G HA3 0.606 4.558 3.960 -0.013 0.000 0.300 334 G C -2.338 172.225 174.900 -0.562 0.000 1.410 334 G CA -0.732 44.102 45.100 -0.443 0.000 1.014 334 G HN 0.839 nan 8.290 nan 0.000 0.509 335 I N 1.421 121.681 120.570 -0.516 0.000 2.686 335 I HA 0.685 4.847 4.170 -0.013 0.000 0.295 335 I C -1.393 174.592 176.117 -0.219 0.000 1.114 335 I CA -1.255 59.875 61.300 -0.283 0.000 1.038 335 I CB 2.037 39.969 38.000 -0.112 0.000 1.238 335 I HN 0.347 nan 8.210 nan 0.000 0.420 336 L N 6.566 127.675 121.223 -0.189 0.000 2.365 336 L HA 0.561 4.893 4.340 -0.013 0.000 0.273 336 L C -0.760 175.929 176.870 -0.301 0.000 1.000 336 L CA -0.593 54.065 54.840 -0.303 0.000 0.819 336 L CB 2.026 43.857 42.059 -0.380 0.000 1.284 336 L HN 0.556 nan 8.230 nan 0.000 0.418 337 E N 2.239 122.215 120.200 -0.374 0.000 2.191 337 E HA 0.606 4.948 4.350 -0.013 0.000 0.274 337 E C -1.614 174.714 176.600 -0.454 0.000 0.948 337 E CA -0.563 55.692 56.400 -0.242 0.000 0.802 337 E CB 2.087 31.714 29.700 -0.120 0.000 1.137 337 E HN 0.224 nan 8.360 nan 0.000 0.397 338 F N 1.118 121.060 119.950 -0.013 0.000 2.529 338 F HA 0.263 4.782 4.527 -0.014 0.000 0.320 338 F C -0.171 175.633 175.800 0.007 0.000 1.118 338 F CA -1.060 56.934 58.000 -0.011 0.000 0.915 338 F CB 1.511 40.504 39.000 -0.011 0.000 1.161 338 F HN 0.183 nan 8.300 nan 0.000 0.445 339 D N 4.875 125.382 120.400 0.178 0.000 2.380 339 D HA 0.240 4.872 4.640 -0.013 0.000 0.230 339 D C 1.210 177.581 176.300 0.119 0.000 1.154 339 D CA 0.010 54.086 54.000 0.126 0.000 0.859 339 D CB 1.713 42.569 40.800 0.094 0.000 1.045 339 D HN 0.519 nan 8.370 nan 0.000 0.495 340 L N 2.163 123.447 121.223 0.102 0.000 2.027 340 L HA -0.188 4.144 4.340 -0.013 0.000 0.206 340 L C 0.598 177.504 176.870 0.060 0.000 1.074 340 L CA 1.245 56.125 54.840 0.067 0.000 0.745 340 L CB -0.361 41.727 42.059 0.048 0.000 0.898 340 L HN 0.408 nan 8.230 nan 0.000 0.433 341 N N -3.603 115.136 118.700 0.066 0.000 2.732 341 N HA 0.259 4.992 4.740 -0.013 0.000 0.259 341 N C -2.383 173.160 175.510 0.056 0.000 1.402 341 N CA -1.774 51.311 53.050 0.058 0.000 0.829 341 N CB 0.089 38.611 38.487 0.057 0.000 1.495 341 N HN -0.378 nan 8.380 nan 0.000 0.511 342 P HA -0.193 nan 4.420 nan 0.000 0.220 342 P C -0.613 176.700 177.300 0.022 0.000 1.144 342 P CA 1.795 64.920 63.100 0.042 0.000 0.808 342 P CB -0.137 31.587 31.700 0.040 0.000 0.763 343 D N -3.621 116.781 120.400 0.003 0.000 2.599 343 D HA 0.123 4.755 4.640 -0.013 0.000 0.249 343 D C -0.495 175.754 176.300 -0.084 0.000 1.313 343 D CA -0.349 53.606 54.000 -0.075 0.000 0.815 343 D CB -0.078 40.625 40.800 -0.161 0.000 1.077 343 D HN -0.163 nan 8.370 nan 0.000 0.492 344 T N 0.919 115.499 114.554 0.044 0.000 2.949 344 T HA 0.356 4.698 4.350 -0.013 0.000 0.300 344 T C -1.108 173.643 174.700 0.086 0.000 0.988 344 T CA -0.568 61.597 62.100 0.108 0.000 0.993 344 T CB 1.582 70.567 68.868 0.195 0.000 0.984 344 T HN 0.140 nan 8.240 nan 0.000 0.442 345 M N 4.486 124.136 119.600 0.083 0.000 2.294 345 M HA 0.702 5.174 4.480 -0.013 0.000 0.335 345 M C -1.610 174.763 176.300 0.122 0.000 1.079 345 M CA -1.167 54.196 55.300 0.105 0.000 0.982 345 M CB 1.319 33.977 32.600 0.098 0.000 1.651 345 M HN 0.596 nan 8.290 nan 0.000 0.437 346 L N 4.618 125.939 121.223 0.162 0.000 2.307 346 L HA 0.665 4.997 4.340 -0.013 0.000 0.284 346 L C -1.217 175.811 176.870 0.263 0.000 1.023 346 L CA 0.285 55.230 54.840 0.175 0.000 0.810 346 L CB 2.110 44.237 42.059 0.114 0.000 1.231 346 L HN 0.702 nan 8.230 nan 0.000 0.423 347 T N 5.036 119.720 114.554 0.217 0.000 2.812 347 T HA 0.639 4.981 4.350 -0.013 0.000 0.282 347 T C -0.755 174.042 174.700 0.161 0.000 0.990 347 T CA -0.427 61.800 62.100 0.212 0.000 0.960 347 T CB 1.436 70.445 68.868 0.235 0.000 0.948 347 T HN 0.614 nan 8.240 nan 0.000 0.438 348 V N 0.444 120.415 119.914 0.094 0.000 2.769 348 V HA 1.101 5.213 4.120 -0.013 0.000 0.312 348 V C -0.041 175.836 176.094 -0.361 0.000 1.061 348 V CA -0.653 61.584 62.300 -0.105 0.000 0.931 348 V CB 1.596 33.413 31.823 -0.010 0.000 1.010 348 V HN 1.093 nan 8.190 nan 0.000 0.433 349 G N 1.241 109.526 108.800 -0.859 0.000 2.646 349 G HA2 0.940 4.892 3.960 -0.013 0.000 0.291 349 G HA3 0.940 4.892 3.960 -0.013 0.000 0.291 349 G C -1.206 173.222 174.900 -0.787 0.000 1.445 349 G CA -0.266 44.274 45.100 -0.933 0.000 0.814 349 G HN 1.761 nan 8.290 nan 0.000 0.495 350 A N 0.412 123.118 122.820 -0.190 0.000 2.549 350 A HA 0.882 5.194 4.320 -0.013 0.000 0.297 350 A C -1.375 176.436 177.584 0.379 0.000 1.061 350 A CA -0.345 51.756 52.037 0.107 0.000 0.690 350 A CB 2.201 21.234 19.000 0.055 0.000 1.287 350 A HN 1.270 nan 8.150 nan 0.000 0.402 351 D N -0.908 119.741 120.400 0.415 0.000 2.552 351 D HA 0.653 5.285 4.640 -0.013 0.000 0.239 351 D C -1.122 175.408 176.300 0.383 0.000 1.139 351 D CA -0.480 53.775 54.000 0.426 0.000 0.914 351 D CB 1.225 42.216 40.800 0.319 0.000 1.461 351 D HN 0.681 nan 8.370 nan 0.000 0.462 352 Y N -0.391 120.042 120.300 0.221 0.000 2.442 352 Y HA 0.444 4.984 4.550 -0.016 0.000 0.330 352 Y C -1.922 174.091 175.900 0.188 0.000 1.100 352 Y CA -0.529 57.700 58.100 0.216 0.000 1.034 352 Y CB 1.946 40.572 38.460 0.278 0.000 1.285 352 Y HN 0.616 nan 8.280 nan 0.000 0.440 353 Q N 4.679 124.190 119.800 -0.483 0.000 2.289 353 Q HA 0.357 4.690 4.340 -0.013 0.000 0.270 353 Q C -2.315 173.415 176.000 -0.450 0.000 1.038 353 Q CA -0.798 54.801 55.803 -0.340 0.000 0.812 353 Q CB 1.875 30.541 28.738 -0.120 0.000 1.300 353 Q HN 0.738 nan 8.270 nan 0.000 0.427 354 D N 2.396 122.631 120.400 -0.274 0.000 2.505 354 D HA 0.361 4.993 4.640 -0.013 0.000 0.249 354 D C -1.279 175.024 176.300 0.005 0.000 1.082 354 D CA -0.341 53.603 54.000 -0.094 0.000 0.839 354 D CB 1.189 41.996 40.800 0.011 0.000 1.317 354 D HN 0.474 nan 8.370 nan 0.000 0.497 355 N N 2.949 121.664 118.700 0.024 0.000 2.443 355 N HA 0.264 4.996 4.740 -0.013 0.000 0.269 355 N C -1.515 174.024 175.510 0.049 0.000 0.985 355 N CA -0.499 52.560 53.050 0.014 0.000 0.921 355 N CB 1.793 40.263 38.487 -0.028 0.000 1.195 355 N HN 0.391 nan 8.380 nan 0.000 0.492 356 D N 2.742 123.167 120.400 0.042 0.000 2.346 356 D HA 0.367 4.999 4.640 -0.013 0.000 0.255 356 D C -2.759 173.545 176.300 0.006 0.000 1.276 356 D CA -1.503 52.531 54.000 0.057 0.000 0.941 356 D CB 1.860 42.700 40.800 0.068 0.000 1.199 356 D HN 0.192 nan 8.370 nan 0.000 0.537 357 P HA 0.550 nan 4.420 nan 0.000 0.287 357 P C -1.075 176.183 177.300 -0.070 0.000 1.290 357 P CA -0.919 62.107 63.100 -0.123 0.000 0.889 357 P CB 1.757 33.426 31.700 -0.052 0.000 1.190 358 K N -0.374 119.907 120.400 -0.199 0.000 2.316 358 K HA 0.630 4.942 4.320 -0.013 0.000 0.251 358 K C 0.564 177.132 176.600 -0.054 0.000 0.934 358 K CA 0.067 56.315 56.287 -0.064 0.000 0.802 358 K CB 0.886 33.344 32.500 -0.070 0.000 1.171 358 K HN 0.717 nan 8.250 nan 0.000 0.426 359 G N 1.127 109.978 108.800 0.085 0.000 2.143 359 G HA2 -0.259 3.694 3.960 -0.013 0.000 0.248 359 G HA3 -0.259 3.694 3.960 -0.013 0.000 0.248 359 G C -0.288 174.803 174.900 0.318 0.000 0.991 359 G CA 0.272 45.489 45.100 0.195 0.000 0.689 359 G HN 0.503 nan 8.290 nan 0.000 0.522 360 S N 0.298 116.196 115.700 0.329 0.000 2.558 360 S HA 0.485 4.947 4.470 -0.013 0.000 0.288 360 S C 1.200 175.965 174.600 0.276 0.000 1.318 360 S CA 0.247 58.671 58.200 0.373 0.000 1.056 360 S CB 1.382 64.825 63.200 0.406 0.000 0.853 360 S HN 1.267 nan 8.310 nan 0.000 0.505 361 G N 0.227 109.175 108.800 0.247 0.000 2.557 361 G HA2 0.404 4.356 3.960 -0.013 0.000 0.292 361 G HA3 0.404 4.356 3.960 -0.013 0.000 0.292 361 G C -0.038 175.093 174.900 0.385 0.000 1.237 361 G CA -0.767 44.496 45.100 0.272 0.000 0.978 361 G HN 0.906 nan 8.290 nan 0.000 0.498 362 W N -0.284 121.102 121.300 0.144 0.000 2.922 362 W HA 0.282 4.931 4.660 -0.017 0.000 0.260 362 W C 0.800 177.420 176.519 0.167 0.000 1.088 362 W CA 0.489 57.904 57.345 0.117 0.000 1.694 362 W CB 0.670 30.162 29.460 0.055 0.000 1.064 362 W HN 0.599 nan 8.180 nan 0.000 0.611 363 S N 1.147 117.248 115.700 0.668 0.000 2.789 363 S HA 0.641 5.103 4.470 -0.013 0.000 0.286 363 S C -0.143 174.686 174.600 0.383 0.000 1.153 363 S CA -0.086 58.495 58.200 0.635 0.000 1.084 363 S CB 0.864 64.326 63.200 0.437 0.000 1.036 363 S HN 0.896 nan 8.310 nan 0.000 0.484 364 G N 2.761 111.767 108.800 0.343 0.000 2.804 364 G HA2 -0.182 3.770 3.960 -0.013 0.000 0.230 364 G HA3 -0.182 3.770 3.960 -0.013 0.000 0.230 364 G C 0.491 175.449 174.900 0.095 0.000 1.386 364 G CA -0.166 45.007 45.100 0.122 0.000 0.875 364 G HN 1.176 nan 8.290 nan 0.000 0.557 365 S N -0.610 115.106 115.700 0.026 0.000 2.483 365 S HA 0.490 4.952 4.470 -0.013 0.000 0.221 365 S C 0.296 175.178 174.600 0.471 0.000 1.030 365 S CA 1.569 59.902 58.200 0.223 0.000 0.925 365 S CB -0.065 63.322 63.200 0.312 0.000 0.795 365 S HN 1.377 nan 8.310 nan 0.000 0.511 366 F N -0.481 119.587 119.950 0.197 0.000 2.719 366 F HA 0.658 5.176 4.527 -0.014 0.000 0.309 366 F C -3.503 172.334 175.800 0.061 0.000 1.138 366 F CA -2.639 55.483 58.000 0.203 0.000 0.943 366 F CB 0.634 39.683 39.000 0.082 0.000 1.304 366 F HN -0.305 nan 8.300 nan 0.000 0.445 367 P HA 0.291 nan 4.420 nan 0.000 0.279 367 P C 0.593 177.863 177.300 -0.049 0.000 1.239 367 P CA -0.383 62.725 63.100 0.014 0.000 0.789 367 P CB 1.793 33.538 31.700 0.076 0.000 0.933 368 L N 1.501 122.519 121.223 -0.341 0.000 1.989 368 L HA -0.122 4.210 4.340 -0.013 0.000 0.211 368 L C 0.870 177.420 176.870 -0.533 0.000 1.071 368 L CA 1.738 56.234 54.840 -0.574 0.000 0.749 368 L CB -0.604 40.764 42.059 -1.152 0.000 0.890 368 L HN 0.281 nan 8.230 nan 0.000 0.431 369 F N -0.090 119.826 119.950 -0.058 0.000 2.458 369 F HA 0.251 4.770 4.527 -0.013 0.000 0.330 369 F C 0.503 176.207 175.800 -0.160 0.000 1.082 369 F CA -1.845 56.103 58.000 -0.087 0.000 0.995 369 F CB 0.577 39.506 39.000 -0.119 0.000 1.170 369 F HN 0.006 nan 8.300 nan 0.000 0.478 370 D N -0.471 119.935 120.400 0.010 0.000 2.478 370 D HA 0.146 4.779 4.640 -0.013 0.000 0.274 370 D C 1.210 177.407 176.300 -0.172 0.000 1.234 370 D CA -0.058 53.859 54.000 -0.138 0.000 1.069 370 D CB -0.066 40.644 40.800 -0.151 0.000 1.113 370 D HN 0.423 nan 8.370 nan 0.000 0.571 371 S N -0.851 114.719 115.700 -0.217 0.000 2.368 371 S HA -0.258 4.204 4.470 -0.013 0.000 0.225 371 S C 1.570 176.050 174.600 -0.201 0.000 1.030 371 S CA 1.218 59.246 58.200 -0.287 0.000 0.999 371 S CB -0.938 62.121 63.200 -0.235 0.000 0.844 371 S HN 0.677 nan 8.310 nan 0.000 0.459 372 Q N 0.914 120.633 119.800 -0.134 0.000 2.482 372 Q HA 0.382 4.714 4.340 -0.013 0.000 0.209 372 Q C 1.359 177.282 176.000 -0.127 0.000 0.961 372 Q CA 0.431 56.164 55.803 -0.117 0.000 0.945 372 Q CB -0.229 28.461 28.738 -0.080 0.000 1.012 372 Q HN 0.775 nan 8.270 nan 0.000 0.515 373 G N 0.974 109.699 108.800 -0.124 0.000 2.184 373 G HA2 -0.181 3.771 3.960 -0.013 0.000 0.206 373 G HA3 -0.181 3.771 3.960 -0.013 0.000 0.206 373 G C -0.252 174.634 174.900 -0.024 0.000 0.995 373 G CA -0.326 44.671 45.100 -0.172 0.000 0.651 373 G HN 0.285 nan 8.290 nan 0.000 0.511 374 N N 0.644 119.373 118.700 0.048 0.000 2.530 374 N HA 0.507 5.239 4.740 -0.013 0.000 0.277 374 N C 0.597 176.229 175.510 0.202 0.000 1.168 374 N CA -0.249 52.860 53.050 0.099 0.000 0.979 374 N CB 0.619 39.123 38.487 0.029 0.000 1.141 374 N HN 0.302 nan 8.380 nan 0.000 0.459 375 R N 0.916 121.525 120.500 0.183 0.000 2.643 375 R HA 0.126 4.458 4.340 -0.013 0.000 0.270 375 R C 0.133 176.460 176.300 0.044 0.000 1.061 375 R CA 0.044 56.206 56.100 0.103 0.000 1.107 375 R CB 0.186 30.530 30.300 0.073 0.000 0.999 375 R HN 0.441 nan 8.270 nan 0.000 0.460 376 N N 1.235 119.946 118.700 0.019 0.000 2.479 376 N HA 0.065 4.797 4.740 -0.013 0.000 0.285 376 N C -1.133 174.362 175.510 -0.025 0.000 1.075 376 N CA -0.093 52.942 53.050 -0.024 0.000 0.967 376 N CB 1.226 39.688 38.487 -0.041 0.000 1.137 376 N HN 0.416 nan 8.380 nan 0.000 0.472 377 D N 1.742 122.116 120.400 -0.044 0.000 2.392 377 D HA 0.319 4.951 4.640 -0.013 0.000 0.228 377 D C -0.801 175.424 176.300 -0.125 0.000 1.074 377 D CA -0.336 53.639 54.000 -0.041 0.000 0.838 377 D CB 0.978 41.791 40.800 0.023 0.000 1.067 377 D HN 0.214 nan 8.370 nan 0.000 0.511 378 V N 0.649 120.406 119.914 -0.261 0.000 2.823 378 V HA 0.552 4.664 4.120 -0.013 0.000 0.312 378 V C 0.555 176.617 176.094 -0.053 0.000 1.072 378 V CA -1.082 61.053 62.300 -0.274 0.000 0.937 378 V CB 1.590 32.963 31.823 -0.750 0.000 1.013 378 V HN 0.417 nan 8.190 nan 0.000 0.430 379 S N 1.408 117.132 115.700 0.040 0.000 2.571 379 S HA 0.016 4.478 4.470 -0.013 0.000 0.298 379 S C 1.430 176.092 174.600 0.103 0.000 1.280 379 S CA 0.320 58.565 58.200 0.075 0.000 1.052 379 S CB 0.129 63.404 63.200 0.126 0.000 0.799 379 S HN 0.850 nan 8.310 nan 0.000 0.501 380 R N 1.672 122.103 120.500 -0.114 0.000 2.193 380 R HA -0.091 4.241 4.340 -0.013 0.000 0.229 380 R C 2.399 178.847 176.300 0.248 0.000 1.110 380 R CA 1.514 57.475 56.100 -0.233 0.000 0.988 380 R CB -0.348 29.630 30.300 -0.535 0.000 0.871 380 R HN 0.795 nan 8.270 nan 0.000 0.458 381 S N 0.303 116.107 115.700 0.172 0.000 2.447 381 S HA -0.114 4.349 4.470 -0.013 0.000 0.233 381 S C 0.710 175.364 174.600 0.089 0.000 1.006 381 S CA 0.050 58.308 58.200 0.096 0.000 0.957 381 S CB -0.419 62.811 63.200 0.050 0.000 0.773 381 S HN 0.200 nan 8.310 nan 0.000 0.507 382 F N 3.721 123.711 119.950 0.067 0.000 2.629 382 F HA 0.286 4.806 4.527 -0.011 0.000 0.369 382 F C 0.372 176.228 175.800 0.093 0.000 1.125 382 F CA 0.415 58.462 58.000 0.079 0.000 1.330 382 F CB 0.278 39.316 39.000 0.063 0.000 1.071 382 F HN 0.181 nan 8.300 nan 0.000 0.595 383 N N 3.698 122.167 118.700 -0.385 0.000 2.542 383 N HA 0.147 4.879 4.740 -0.013 0.000 0.288 383 N C -0.736 174.758 175.510 -0.026 0.000 1.115 383 N CA -0.767 52.190 53.050 -0.155 0.000 0.924 383 N CB 0.609 38.845 38.487 -0.419 0.000 1.526 383 N HN 0.526 nan 8.380 nan 0.000 0.515 384 N N 1.367 120.164 118.700 0.162 0.000 2.314 384 N HA 0.152 4.884 4.740 -0.013 0.000 0.200 384 N C 0.563 176.267 175.510 0.322 0.000 1.135 384 N CA -0.271 52.871 53.050 0.153 0.000 0.835 384 N CB -0.056 38.541 38.487 0.183 0.000 0.989 384 N HN 0.488 nan 8.380 nan 0.000 0.478 385 G N -0.361 108.658 108.800 0.367 0.000 2.527 385 G HA2 0.509 4.461 3.960 -0.013 0.000 0.248 385 G HA3 0.509 4.461 3.960 -0.013 0.000 0.248 385 G C -0.159 174.946 174.900 0.341 0.000 1.231 385 G CA -0.141 45.136 45.100 0.295 0.000 0.838 385 G HN 0.455 nan 8.290 nan 0.000 0.570 386 A N 1.310 124.116 122.820 -0.023 0.000 2.386 386 A HA 0.363 4.675 4.320 -0.013 0.000 0.248 386 A C 1.602 178.892 177.584 -0.490 0.000 1.082 386 A CA -0.186 51.606 52.037 -0.409 0.000 0.789 386 A CB 0.492 18.813 19.000 -1.132 0.000 1.025 386 A HN 0.783 nan 8.150 nan 0.000 0.490 387 K N 1.009 121.080 120.400 -0.549 0.000 2.032 387 K HA -0.197 4.115 4.320 -0.013 0.000 0.218 387 K C 1.676 178.193 176.600 -0.137 0.000 1.054 387 K CA 2.488 58.590 56.287 -0.308 0.000 0.941 387 K CB -0.288 32.060 32.500 -0.253 0.000 0.720 387 K HN 1.008 nan 8.250 nan 0.000 0.449 388 W N 1.121 122.454 121.300 0.055 0.000 2.825 388 W HA 0.098 4.768 4.660 0.018 0.000 0.243 388 W C 0.492 177.107 176.519 0.160 0.000 1.293 388 W CA -0.194 57.210 57.345 0.099 0.000 1.403 388 W CB -0.768 28.753 29.460 0.102 0.000 1.134 388 W HN -0.101 nan 8.180 nan 0.000 0.666 389 S N 1.806 117.415 115.700 -0.153 0.000 2.548 389 S HA 0.315 4.777 4.470 -0.013 0.000 0.277 389 S C -0.250 174.481 174.600 0.219 0.000 1.315 389 S CA -0.030 58.184 58.200 0.024 0.000 1.050 389 S CB 1.123 64.169 63.200 -0.257 0.000 0.918 389 S HN 0.206 nan 8.310 nan 0.000 0.497 390 S N 4.791 120.681 115.700 0.317 0.000 2.572 390 S HA 0.496 4.958 4.470 -0.013 0.000 0.274 390 S C -1.834 172.995 174.600 0.382 0.000 1.150 390 S CA -0.628 57.759 58.200 0.311 0.000 0.944 390 S CB 0.945 64.325 63.200 0.299 0.000 1.071 390 S HN 0.844 nan 8.310 nan 0.000 0.479 391 W N 6.373 127.769 121.300 0.161 0.000 2.149 391 W HA 0.429 5.080 4.660 -0.016 0.000 0.291 391 W C -0.274 176.331 176.519 0.142 0.000 0.875 391 W CA -1.307 56.118 57.345 0.133 0.000 1.885 391 W CB 0.033 29.540 29.460 0.077 0.000 2.062 391 W HN 0.843 nan 8.180 nan 0.000 0.391 392 E N 2.403 122.915 120.200 0.520 0.000 2.331 392 E HA 0.367 4.709 4.350 -0.013 0.000 0.272 392 E C -0.855 175.976 176.600 0.385 0.000 1.036 392 E CA 0.193 56.803 56.400 0.351 0.000 0.864 392 E CB 1.191 31.076 29.700 0.308 0.000 1.035 392 E HN 0.408 nan 8.360 nan 0.000 0.408 393 Q N 2.604 122.537 119.800 0.222 0.000 2.289 393 Q HA 0.355 4.687 4.340 -0.013 0.000 0.270 393 Q C -1.573 174.513 176.000 0.142 0.000 1.038 393 Q CA -0.985 54.905 55.803 0.144 0.000 0.812 393 Q CB 1.785 30.463 28.738 -0.100 0.000 1.300 393 Q HN 0.755 nan 8.270 nan 0.000 0.427 394 Y N -1.496 118.800 120.300 -0.006 0.000 2.581 394 Y HA 0.894 5.436 4.550 -0.013 0.000 0.345 394 Y C -0.876 174.962 175.900 -0.103 0.000 1.036 394 Y CA -0.985 57.061 58.100 -0.091 0.000 1.042 394 Y CB 1.883 40.297 38.460 -0.077 0.000 1.289 394 Y HN 0.521 nan 8.280 nan 0.000 0.471 395 T N 0.232 114.765 114.554 -0.036 0.000 2.956 395 T HA 0.818 5.160 4.350 -0.013 0.000 0.312 395 T C -1.259 173.430 174.700 -0.018 0.000 1.151 395 T CA -1.067 60.980 62.100 -0.090 0.000 1.024 395 T CB 2.223 71.004 68.868 -0.145 0.000 1.140 395 T HN 1.281 nan 8.240 nan 0.000 0.473 396 R N 0.055 120.586 120.500 0.051 0.000 2.629 396 R HA 0.755 5.087 4.340 -0.013 0.000 0.266 396 R C -1.809 174.561 176.300 0.116 0.000 1.051 396 R CA -0.895 55.298 56.100 0.154 0.000 0.895 396 R CB 1.566 32.069 30.300 0.339 0.000 1.246 396 R HN 0.637 nan 8.270 nan 0.000 0.459 397 T N 1.429 116.090 114.554 0.178 0.000 2.916 397 T HA 0.455 4.797 4.350 -0.013 0.000 0.298 397 T C -1.033 173.837 174.700 0.282 0.000 1.031 397 T CA -0.706 61.517 62.100 0.204 0.000 0.993 397 T CB 1.984 70.984 68.868 0.221 0.000 1.045 397 T HN 0.350 nan 8.240 nan 0.000 0.454 398 V N 4.211 124.298 119.914 0.287 0.000 2.495 398 V HA 0.817 4.929 4.120 -0.013 0.000 0.298 398 V C -0.887 175.368 176.094 0.269 0.000 1.031 398 V CA -0.869 61.551 62.300 0.200 0.000 0.871 398 V CB 0.983 32.903 31.823 0.162 0.000 0.988 398 V HN 0.887 nan 8.190 nan 0.000 0.432 399 F N 2.468 122.509 119.950 0.151 0.000 2.601 399 F HA 0.997 5.516 4.527 -0.014 0.000 0.309 399 F C -0.411 175.467 175.800 0.131 0.000 1.089 399 F CA -1.207 56.881 58.000 0.146 0.000 0.940 399 F CB 1.736 40.828 39.000 0.154 0.000 1.273 399 F HN 0.622 nan 8.300 nan 0.000 0.450 400 A N 2.569 125.556 122.820 0.279 0.000 2.449 400 A HA 0.831 5.143 4.320 -0.013 0.000 0.302 400 A C -1.710 176.032 177.584 0.263 0.000 1.048 400 A CA -0.918 51.237 52.037 0.198 0.000 0.708 400 A CB 1.456 20.511 19.000 0.091 0.000 1.274 400 A HN 0.977 nan 8.150 nan 0.000 0.410 401 N N -0.301 118.545 118.700 0.244 0.000 2.509 401 N HA 0.757 5.489 4.740 -0.013 0.000 0.280 401 N C -1.512 174.087 175.510 0.150 0.000 1.306 401 N CA -0.727 52.444 53.050 0.202 0.000 0.782 401 N CB 2.116 40.735 38.487 0.221 0.000 1.493 401 N HN 0.513 nan 8.380 nan 0.000 0.498 402 L N 0.222 121.517 121.223 0.120 0.000 2.476 402 L HA 0.448 4.780 4.340 -0.013 0.000 0.269 402 L C -1.433 175.482 176.870 0.074 0.000 0.965 402 L CA -0.255 54.638 54.840 0.089 0.000 0.845 402 L CB 1.854 43.951 42.059 0.063 0.000 1.259 402 L HN 0.720 nan 8.230 nan 0.000 0.403 403 E N 2.995 123.238 120.200 0.072 0.000 2.176 403 E HA 0.410 4.752 4.350 -0.013 0.000 0.267 403 E C -1.692 174.931 176.600 0.037 0.000 0.893 403 E CA -0.690 55.737 56.400 0.045 0.000 0.761 403 E CB 1.061 30.796 29.700 0.057 0.000 1.133 403 E HN 0.732 nan 8.360 nan 0.000 0.409 404 H N 3.624 122.603 119.070 -0.152 0.000 2.658 404 H HA 0.347 4.895 4.556 -0.013 0.000 0.337 404 H C -1.060 174.044 175.328 -0.373 0.000 1.009 404 H CA -0.826 55.044 56.048 -0.297 0.000 1.231 404 H CB 0.707 30.187 29.762 -0.470 0.000 1.508 404 H HN 0.395 nan 8.280 nan 0.000 0.517 405 N N 5.314 123.621 118.700 -0.655 0.000 2.420 405 N HA 0.050 4.782 4.740 -0.013 0.000 0.262 405 N C -0.733 174.351 175.510 -0.709 0.000 1.144 405 N CA 0.272 53.048 53.050 -0.456 0.000 0.952 405 N CB 0.215 38.565 38.487 -0.229 0.000 1.081 405 N HN 0.318 nan 8.380 nan 0.000 0.480 406 F N 0.428 120.342 119.950 -0.060 0.000 2.370 406 F HA 0.323 4.842 4.527 -0.013 0.000 0.319 406 F C 1.706 177.561 175.800 0.093 0.000 1.129 406 F CA -0.822 57.223 58.000 0.076 0.000 1.109 406 F CB 0.551 39.673 39.000 0.204 0.000 1.262 406 F HN 0.481 nan 8.300 nan 0.000 0.534 407 A N 1.154 124.160 122.820 0.309 0.000 2.015 407 A HA -0.175 4.137 4.320 -0.013 0.000 0.219 407 A C 1.679 179.400 177.584 0.228 0.000 1.163 407 A CA 1.584 53.743 52.037 0.203 0.000 0.646 407 A CB -1.211 17.883 19.000 0.157 0.000 0.806 407 A HN 0.918 nan 8.150 nan 0.000 0.448 408 N N -0.492 118.387 118.700 0.298 0.000 2.503 408 N HA 0.043 4.775 4.740 -0.013 0.000 0.189 408 N C 1.193 176.919 175.510 0.360 0.000 1.048 408 N CA 0.776 54.043 53.050 0.362 0.000 0.905 408 N CB -0.174 38.656 38.487 0.571 0.000 0.951 408 N HN 0.677 nan 8.380 nan 0.000 0.446 409 G N -0.566 108.420 108.800 0.311 0.000 2.184 409 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.264 409 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.264 409 G C -0.200 174.823 174.900 0.204 0.000 0.975 409 G CA -0.149 45.098 45.100 0.245 0.000 0.642 409 G HN 0.305 nan 8.290 nan 0.000 0.536 410 W N -0.643 120.766 121.300 0.182 0.000 2.170 410 W HA 0.496 5.148 4.660 -0.013 0.000 0.342 410 W C 0.579 177.289 176.519 0.318 0.000 1.294 410 W CA 0.787 58.262 57.345 0.217 0.000 1.246 410 W CB 0.890 30.450 29.460 0.166 0.000 1.156 410 W HN 0.449 nan 8.180 nan 0.000 0.572 411 V N 3.502 123.686 119.914 0.450 0.000 2.971 411 V HA 0.933 5.046 4.120 -0.013 0.000 0.309 411 V C -0.374 175.908 176.094 0.313 0.000 1.130 411 V CA -0.632 61.848 62.300 0.300 0.000 0.964 411 V CB 1.778 33.659 31.823 0.097 0.000 1.029 411 V HN 0.610 nan 8.190 nan 0.000 0.427 412 G N 3.401 112.344 108.800 0.238 0.000 2.533 412 G HA2 0.740 4.692 3.960 -0.013 0.000 0.304 412 G HA3 0.740 4.692 3.960 -0.013 0.000 0.304 412 G C -1.551 173.300 174.900 -0.081 0.000 1.263 412 G CA -0.763 44.433 45.100 0.160 0.000 0.964 412 G HN 0.840 nan 8.290 nan 0.000 0.479 413 K N 0.541 120.800 120.400 -0.234 0.000 2.571 413 K HA 0.469 4.781 4.320 -0.013 0.000 0.252 413 K C -1.735 174.840 176.600 -0.041 0.000 0.956 413 K CA -0.536 55.640 56.287 -0.185 0.000 0.822 413 K CB 2.683 34.969 32.500 -0.357 0.000 1.286 413 K HN 0.319 nan 8.250 nan 0.000 0.439 414 V N 4.177 124.127 119.914 0.060 0.000 2.378 414 V HA 0.337 4.449 4.120 -0.013 0.000 0.288 414 V C -0.716 175.469 176.094 0.152 0.000 1.016 414 V CA -0.706 61.662 62.300 0.113 0.000 0.840 414 V CB 1.569 33.446 31.823 0.091 0.000 0.994 414 V HN 0.719 nan 8.190 nan 0.000 0.431 415 Q N 4.580 124.495 119.800 0.191 0.000 2.333 415 Q HA 0.630 4.962 4.340 -0.013 0.000 0.265 415 Q C -1.151 174.970 176.000 0.202 0.000 0.989 415 Q CA -0.320 55.610 55.803 0.211 0.000 0.842 415 Q CB 2.497 31.369 28.738 0.224 0.000 1.262 415 Q HN 0.624 nan 8.270 nan 0.000 0.451 416 L N 3.015 124.364 121.223 0.210 0.000 2.296 416 L HA 0.501 4.833 4.340 -0.013 0.000 0.286 416 L C -1.084 175.938 176.870 0.254 0.000 1.023 416 L CA -0.561 54.401 54.840 0.203 0.000 0.812 416 L CB 1.471 43.626 42.059 0.160 0.000 1.223 416 L HN 0.594 nan 8.230 nan 0.000 0.421 417 D N 0.289 120.839 120.400 0.250 0.000 2.780 417 D HA 0.371 5.003 4.640 -0.013 0.000 0.242 417 D C -1.220 175.254 176.300 0.290 0.000 1.135 417 D CA -0.359 53.810 54.000 0.283 0.000 0.859 417 D CB 1.762 42.703 40.800 0.235 0.000 1.530 417 D HN 0.331 nan 8.370 nan 0.000 0.493 418 H N 0.759 119.935 119.070 0.177 0.000 2.800 418 H HA 0.459 5.007 4.556 -0.014 0.000 0.322 418 H C -1.284 174.130 175.328 0.144 0.000 0.979 418 H CA -0.681 55.455 56.048 0.146 0.000 1.277 418 H CB 0.845 30.680 29.762 0.123 0.000 1.484 418 H HN 0.153 nan 8.280 nan 0.000 0.512 419 K N 5.681 125.981 120.400 -0.167 0.000 2.292 419 K HA 0.484 4.796 4.320 -0.013 0.000 0.257 419 K C -1.229 175.247 176.600 -0.207 0.000 0.940 419 K CA -0.686 55.519 56.287 -0.136 0.000 0.811 419 K CB 1.014 33.486 32.500 -0.047 0.000 1.120 419 K HN 0.589 nan 8.250 nan 0.000 0.428 420 I N 3.626 124.113 120.570 -0.139 0.000 2.378 420 I HA 0.253 4.415 4.170 -0.013 0.000 0.291 420 I C -0.902 175.142 176.117 -0.123 0.000 0.992 420 I CA -0.946 60.298 61.300 -0.093 0.000 1.154 420 I CB 1.784 39.787 38.000 0.006 0.000 1.315 420 I HN 0.602 nan 8.210 nan 0.000 0.448 421 N N 4.185 122.789 118.700 -0.160 0.000 2.443 421 N HA 0.615 5.347 4.740 -0.013 0.000 0.269 421 N C -0.371 174.910 175.510 -0.382 0.000 0.985 421 N CA -0.378 52.520 53.050 -0.254 0.000 0.921 421 N CB 1.994 40.385 38.487 -0.161 0.000 1.195 421 N HN 0.723 nan 8.380 nan 0.000 0.492 422 G N 0.855 109.126 108.800 -0.883 0.000 2.481 422 G HA2 0.609 4.561 3.960 -0.013 0.000 0.315 422 G HA3 0.609 4.561 3.960 -0.013 0.000 0.315 422 G C -1.589 172.983 174.900 -0.546 0.000 1.231 422 G CA -0.570 43.869 45.100 -1.101 0.000 0.968 422 G HN 0.500 nan 8.290 nan 0.000 0.482 423 Y N -0.935 119.318 120.300 -0.078 0.000 2.492 423 Y HA 0.744 5.286 4.550 -0.013 0.000 0.346 423 Y C -0.978 175.110 175.900 0.313 0.000 0.997 423 Y CA -1.611 56.602 58.100 0.189 0.000 1.025 423 Y CB 1.732 40.331 38.460 0.232 0.000 1.263 423 Y HN 0.695 nan 8.280 nan 0.000 0.454 424 H N 2.586 121.880 119.070 0.374 0.000 2.860 424 H HA 0.802 5.340 4.556 -0.031 0.000 0.312 424 H C -1.516 173.961 175.328 0.248 0.000 0.995 424 H CA -0.630 55.554 56.048 0.227 0.000 1.311 424 H CB 1.176 31.039 29.762 0.169 0.000 1.478 424 H HN 1.037 nan 8.280 nan 0.000 0.508 425 A N 6.684 129.474 122.820 -0.050 0.000 3.030 425 A HA 0.326 4.638 4.320 -0.013 0.000 0.335 425 A C -2.930 174.526 177.584 -0.212 0.000 1.089 425 A CA -1.520 50.497 52.037 -0.033 0.000 0.807 425 A CB 0.356 19.235 19.000 -0.203 0.000 1.099 425 A HN 0.524 nan 8.150 nan 0.000 0.474 426 P HA 0.349 nan 4.420 nan 0.000 0.274 426 P C -0.565 176.904 177.300 0.281 0.000 1.470 426 P CA 0.193 63.166 63.100 -0.211 0.000 1.001 426 P CB 0.562 32.219 31.700 -0.071 0.000 1.332 427 L N 2.787 124.158 121.223 0.247 0.000 2.360 427 L HA 0.843 5.175 4.340 -0.013 0.000 0.271 427 L C 1.008 178.274 176.870 0.661 0.000 1.057 427 L CA -0.445 54.641 54.840 0.409 0.000 0.803 427 L CB 1.589 43.828 42.059 0.300 0.000 1.207 427 L HN 0.363 nan 8.230 nan 0.000 0.445 428 G N 1.103 110.113 108.800 0.349 0.000 2.668 428 G HA2 0.691 4.643 3.960 -0.013 0.000 0.284 428 G HA3 0.691 4.643 3.960 -0.013 0.000 0.284 428 G C -1.667 173.300 174.900 0.112 0.000 1.456 428 G CA -0.185 45.087 45.100 0.286 0.000 1.214 428 G HN 0.794 nan 8.290 nan 0.000 0.568 429 A N 2.446 125.363 122.820 0.162 0.000 2.515 429 A HA 0.796 5.108 4.320 -0.013 0.000 0.298 429 A C -0.324 177.249 177.584 -0.019 0.000 1.059 429 A CA -0.731 51.369 52.037 0.104 0.000 0.698 429 A CB 1.133 20.235 19.000 0.169 0.000 1.289 429 A HN 0.778 nan 8.150 nan 0.000 0.404 430 I N 1.612 122.090 120.570 -0.153 0.000 2.683 430 I HA 0.245 4.407 4.170 -0.013 0.000 0.286 430 I C 0.271 176.376 176.117 -0.019 0.000 1.175 430 I CA 0.947 62.113 61.300 -0.222 0.000 1.429 430 I CB 0.533 38.311 38.000 -0.369 0.000 1.371 430 I HN 0.784 nan 8.210 nan 0.000 0.569 431 M N 6.124 125.754 119.600 0.051 0.000 2.413 431 M HA 0.667 5.139 4.480 -0.013 0.000 0.287 431 M C -0.613 175.859 176.300 0.288 0.000 1.186 431 M CA -0.019 55.327 55.300 0.077 0.000 0.927 431 M CB 2.149 34.657 32.600 -0.154 0.000 1.715 431 M HN 0.724 nan 8.290 nan 0.000 0.478 432 G N 2.084 110.972 108.800 0.145 0.000 2.479 432 G HA2 -0.052 3.900 3.960 -0.013 0.000 0.686 432 G HA3 -0.052 3.900 3.960 -0.013 0.000 0.686 432 G C -1.697 173.038 174.900 -0.275 0.000 1.295 432 G CA -0.723 44.365 45.100 -0.021 0.000 0.922 432 G HN 0.787 nan 8.290 nan 0.000 0.582 433 D N 0.821 120.877 120.400 -0.574 0.000 2.422 433 D HA 0.336 4.968 4.640 -0.013 0.000 0.263 433 D C -0.250 175.474 176.300 -0.960 0.000 1.334 433 D CA 1.194 54.848 54.000 -0.578 0.000 1.105 433 D CB -0.381 40.140 40.800 -0.464 0.000 1.107 433 D HN 0.388 nan 8.370 nan 0.000 0.522 434 W N 1.800 123.013 121.300 -0.146 0.000 3.083 434 W HA 0.286 4.939 4.660 -0.011 0.000 0.333 434 W C -2.052 174.061 176.519 -0.676 0.000 1.217 434 W CA -1.999 55.187 57.345 -0.266 0.000 1.170 434 W CB 0.951 30.328 29.460 -0.140 0.000 1.437 434 W HN -0.011 nan 8.180 nan 0.000 0.557 435 P HA 0.266 nan 4.420 nan 0.000 0.274 435 P C -0.541 176.825 177.300 0.111 0.000 1.260 435 P CA 0.039 63.063 63.100 -0.126 0.000 0.793 435 P CB 0.654 32.221 31.700 -0.222 0.000 1.048 436 A N 0.562 123.559 122.820 0.295 0.000 2.248 436 A HA 0.525 4.837 4.320 -0.013 0.000 0.316 436 A C -1.647 175.992 177.584 0.093 0.000 1.101 436 A CA -1.608 50.535 52.037 0.178 0.000 0.875 436 A CB -0.691 18.489 19.000 0.299 0.000 1.207 436 A HN 0.276 nan 8.150 nan 0.000 0.504 437 P HA -0.121 nan 4.420 nan 0.000 0.219 437 P C 0.118 177.450 177.300 0.053 0.000 1.146 437 P CA 1.610 64.733 63.100 0.038 0.000 0.808 437 P CB 0.035 31.749 31.700 0.024 0.000 0.779 438 D N -1.954 118.487 120.400 0.068 0.000 2.561 438 D HA 0.007 4.639 4.640 -0.013 0.000 0.232 438 D C 0.412 176.761 176.300 0.082 0.000 1.198 438 D CA -0.669 53.370 54.000 0.065 0.000 0.826 438 D CB -1.720 39.113 40.800 0.055 0.000 0.992 438 D HN 0.071 nan 8.370 nan 0.000 0.490 439 N N -0.301 118.460 118.700 0.101 0.000 2.809 439 N HA -0.254 4.478 4.740 -0.013 0.000 0.244 439 N C -0.247 175.361 175.510 0.163 0.000 1.018 439 N CA 0.953 54.090 53.050 0.145 0.000 0.917 439 N CB -0.849 37.729 38.487 0.152 0.000 1.130 439 N HN 0.548 nan 8.380 nan 0.000 0.591 440 S N -0.506 115.259 115.700 0.108 0.000 2.624 440 S HA 0.771 5.234 4.470 -0.013 0.000 0.263 440 S C 0.136 174.711 174.600 -0.041 0.000 1.287 440 S CA 0.118 58.338 58.200 0.032 0.000 0.990 440 S CB 2.412 65.599 63.200 -0.021 0.000 0.950 440 S HN 0.505 nan 8.310 nan 0.000 0.561 441 A N 0.642 123.277 122.820 -0.308 0.000 2.588 441 A HA 0.793 5.105 4.320 -0.013 0.000 0.290 441 A C -1.341 175.566 177.584 -1.128 0.000 1.136 441 A CA -1.115 50.422 52.037 -0.833 0.000 0.681 441 A CB 1.210 20.018 19.000 -0.319 0.000 1.282 441 A HN 0.810 nan 8.150 nan 0.000 0.421 442 K N 0.511 119.941 120.400 -1.616 0.000 2.371 442 K HA 0.587 4.899 4.320 -0.013 0.000 0.251 442 K C -1.177 175.172 176.600 -0.418 0.000 0.934 442 K CA -0.799 55.023 56.287 -0.775 0.000 0.798 442 K CB 1.861 34.036 32.500 -0.542 0.000 1.204 442 K HN 0.452 nan 8.250 nan 0.000 0.427 443 I N 2.391 122.842 120.570 -0.198 0.000 2.472 443 I HA 0.172 4.334 4.170 -0.013 0.000 0.290 443 I C 0.193 176.348 176.117 0.064 0.000 1.016 443 I CA -0.830 60.452 61.300 -0.030 0.000 1.348 443 I CB 1.082 39.174 38.000 0.155 0.000 1.417 443 I HN 0.271 nan 8.210 nan 0.000 0.521 444 V N 5.320 125.261 119.914 0.046 0.000 2.427 444 V HA 0.701 4.813 4.120 -0.013 0.000 0.286 444 V C 0.315 176.550 176.094 0.235 0.000 1.034 444 V CA -0.619 61.724 62.300 0.072 0.000 0.893 444 V CB 1.351 33.085 31.823 -0.148 0.000 0.982 444 V HN 0.902 nan 8.190 nan 0.000 0.452 445 A N 5.342 128.369 122.820 0.345 0.000 2.335 445 A HA 0.863 5.175 4.320 -0.013 0.000 0.304 445 A C -0.660 177.274 177.584 0.582 0.000 1.118 445 A CA -0.573 51.777 52.037 0.521 0.000 0.757 445 A CB 1.231 20.477 19.000 0.410 0.000 1.188 445 A HN 0.824 nan 8.150 nan 0.000 0.460 446 Q N 0.708 120.866 119.800 0.597 0.000 2.462 446 Q HA 0.585 4.917 4.340 -0.013 0.000 0.285 446 Q C -1.141 174.671 176.000 -0.314 0.000 1.035 446 Q CA -0.849 55.117 55.803 0.272 0.000 0.799 446 Q CB 2.900 31.772 28.738 0.224 0.000 1.452 446 Q HN 0.658 nan 8.270 nan 0.000 0.404 447 K N 1.413 121.329 120.400 -0.807 0.000 2.471 447 K HA 0.505 4.817 4.320 -0.013 0.000 0.252 447 K C -1.896 174.185 176.600 -0.864 0.000 0.938 447 K CA -0.474 55.201 56.287 -1.019 0.000 0.796 447 K CB 1.087 32.596 32.500 -1.652 0.000 1.161 447 K HN 0.566 nan 8.250 nan 0.000 0.425 448 Y N 1.623 121.784 120.300 -0.232 0.000 2.338 448 Y HA 0.261 4.807 4.550 -0.008 0.000 0.333 448 Y C 0.272 176.201 175.900 0.048 0.000 0.968 448 Y CA -0.741 57.332 58.100 -0.046 0.000 1.123 448 Y CB 2.167 40.575 38.460 -0.088 0.000 1.165 448 Y HN 0.568 nan 8.280 nan 0.000 0.452 449 T N 0.027 114.651 114.554 0.116 0.000 2.912 449 T HA 0.983 5.325 4.350 -0.013 0.000 0.288 449 T C -0.055 174.436 174.700 -0.348 0.000 1.030 449 T CA -0.513 61.522 62.100 -0.107 0.000 1.020 449 T CB 2.016 70.808 68.868 -0.127 0.000 1.056 449 T HN 1.068 nan 8.240 nan 0.000 0.480 450 G N 0.508 108.773 108.800 -0.892 0.000 2.356 450 G HA2 0.509 4.461 3.960 -0.013 0.000 0.294 450 G HA3 0.509 4.461 3.960 -0.013 0.000 0.294 450 G C -2.108 172.440 174.900 -0.587 0.000 1.423 450 G CA -0.795 43.864 45.100 -0.735 0.000 0.806 450 G HN 0.890 nan 8.290 nan 0.000 0.527 451 E N -1.052 119.051 120.200 -0.162 0.000 2.356 451 E HA 0.678 5.020 4.350 -0.013 0.000 0.275 451 E C -1.219 175.426 176.600 0.075 0.000 0.904 451 E CA -0.633 55.726 56.400 -0.069 0.000 0.757 451 E CB 2.458 32.155 29.700 -0.004 0.000 1.232 451 E HN 0.406 nan 8.360 nan 0.000 0.442 452 T N 2.683 117.250 114.554 0.022 0.000 2.841 452 T HA 0.412 4.754 4.350 -0.013 0.000 0.283 452 T C -0.887 173.846 174.700 0.055 0.000 1.000 452 T CA -0.790 61.357 62.100 0.079 0.000 0.977 452 T CB 1.137 70.034 68.868 0.049 0.000 0.979 452 T HN 0.214 nan 8.240 nan 0.000 0.446 453 K N 1.947 122.412 120.400 0.108 0.000 2.235 453 K HA 0.681 4.993 4.320 -0.013 0.000 0.266 453 K C -0.646 176.048 176.600 0.156 0.000 0.980 453 K CA -0.674 55.665 56.287 0.087 0.000 0.849 453 K CB 1.741 34.328 32.500 0.146 0.000 1.098 453 K HN 0.402 nan 8.250 nan 0.000 0.445 454 S N 1.821 117.567 115.700 0.076 0.000 2.500 454 S HA 0.371 4.833 4.470 -0.013 0.000 0.301 454 S C -0.974 173.735 174.600 0.181 0.000 1.092 454 S CA -0.861 57.432 58.200 0.154 0.000 1.030 454 S CB 1.104 64.378 63.200 0.123 0.000 1.031 454 S HN 0.551 nan 8.310 nan 0.000 0.483 455 N N 0.731 119.592 118.700 0.268 0.000 2.314 455 N HA 0.581 5.313 4.740 -0.013 0.000 0.294 455 N C -1.447 174.245 175.510 0.303 0.000 1.029 455 N CA -0.446 52.778 53.050 0.289 0.000 0.845 455 N CB 1.699 40.346 38.487 0.267 0.000 1.321 455 N HN 0.379 nan 8.380 nan 0.000 0.481 456 S N 1.533 117.385 115.700 0.254 0.000 2.536 456 S HA 0.551 5.014 4.470 -0.013 0.000 0.287 456 S C -1.482 173.250 174.600 0.220 0.000 1.101 456 S CA -0.562 57.779 58.200 0.235 0.000 0.950 456 S CB 1.679 64.992 63.200 0.189 0.000 1.056 456 S HN 0.382 nan 8.310 nan 0.000 0.481 457 L N 2.566 123.920 121.223 0.217 0.000 2.376 457 L HA 0.676 5.008 4.340 -0.013 0.000 0.275 457 L C -1.538 175.445 176.870 0.188 0.000 0.987 457 L CA -0.197 54.759 54.840 0.194 0.000 0.828 457 L CB 1.648 43.820 42.059 0.188 0.000 1.249 457 L HN 0.686 nan 8.230 nan 0.000 0.409 458 D N 4.054 124.572 120.400 0.197 0.000 2.593 458 D HA 0.576 5.208 4.640 -0.013 0.000 0.251 458 D C -1.175 175.274 176.300 0.249 0.000 1.140 458 D CA -0.303 53.833 54.000 0.227 0.000 0.855 458 D CB 1.398 42.341 40.800 0.239 0.000 1.267 458 D HN 0.527 nan 8.370 nan 0.000 0.532 459 I N 3.005 123.712 120.570 0.229 0.000 2.465 459 I HA 0.695 4.857 4.170 -0.013 0.000 0.291 459 I C -1.842 174.430 176.117 0.259 0.000 1.014 459 I CA -0.655 60.766 61.300 0.201 0.000 1.093 459 I CB 1.079 39.150 38.000 0.119 0.000 1.267 459 I HN 0.377 nan 8.210 nan 0.000 0.431 460 Y N 4.599 124.959 120.300 0.101 0.000 2.597 460 Y HA 0.821 5.363 4.550 -0.013 0.000 0.340 460 Y C -2.196 173.797 175.900 0.155 0.000 1.097 460 Y CA -1.484 56.665 58.100 0.082 0.000 1.037 460 Y CB 1.343 39.874 38.460 0.119 0.000 1.305 460 Y HN 0.670 nan 8.280 nan 0.000 0.463 461 L N 2.414 123.758 121.223 0.202 0.000 2.362 461 L HA 0.690 5.022 4.340 -0.013 0.000 0.275 461 L C -0.670 176.413 176.870 0.355 0.000 0.998 461 L CA -0.558 54.435 54.840 0.255 0.000 0.820 461 L CB 2.462 44.711 42.059 0.317 0.000 1.270 461 L HN 0.943 nan 8.230 nan 0.000 0.415 462 T N 2.048 116.740 114.554 0.230 0.000 2.886 462 T HA 0.849 5.191 4.350 -0.013 0.000 0.292 462 T C -0.571 173.760 174.700 -0.616 0.000 1.012 462 T CA -0.381 61.676 62.100 -0.071 0.000 0.982 462 T CB 1.569 70.503 68.868 0.110 0.000 1.018 462 T HN 0.801 nan 8.240 nan 0.000 0.451 463 G N 4.064 112.004 108.800 -1.434 0.000 2.576 463 G HA2 0.688 4.640 3.960 -0.013 0.000 0.290 463 G HA3 0.688 4.640 3.960 -0.013 0.000 0.290 463 G C -3.406 170.846 174.900 -1.080 0.000 1.442 463 G CA -0.984 42.919 45.100 -1.996 0.000 0.792 463 G HN 0.527 nan 8.290 nan 0.000 0.491 464 P HA 0.718 nan 4.420 nan 0.000 0.280 464 P C -1.266 176.258 177.300 0.373 0.000 1.272 464 P CA -0.546 62.518 63.100 -0.061 0.000 0.819 464 P CB 1.271 32.929 31.700 -0.070 0.000 1.122 465 F N -2.959 117.066 119.950 0.125 0.000 2.669 465 F HA 0.350 4.869 4.527 -0.013 0.000 0.315 465 F C -1.182 174.738 175.800 0.201 0.000 1.109 465 F CA -1.055 57.081 58.000 0.226 0.000 1.028 465 F CB 0.743 39.927 39.000 0.306 0.000 1.287 465 F HN 0.154 nan 8.300 nan 0.000 0.452 466 Q N 2.873 122.793 119.800 0.200 0.000 2.332 466 Q HA 0.258 4.590 4.340 -0.013 0.000 0.263 466 Q C -1.046 175.189 176.000 0.391 0.000 0.979 466 Q CA -0.016 55.868 55.803 0.135 0.000 0.885 466 Q CB 1.360 30.190 28.738 0.152 0.000 1.218 466 Q HN 0.823 nan 8.270 nan 0.000 0.405 467 F N 2.548 122.612 119.950 0.191 0.000 2.009 467 F HA 0.242 4.761 4.527 -0.013 0.000 0.228 467 F C -0.021 175.897 175.800 0.197 0.000 1.168 467 F CA -0.111 58.072 58.000 0.306 0.000 1.286 467 F CB 0.108 39.352 39.000 0.405 0.000 1.725 467 F HN 0.418 nan 8.300 nan 0.000 0.418 468 L N 1.568 122.683 121.223 -0.180 0.000 2.719 468 L HA 0.367 4.699 4.340 -0.013 0.000 0.236 468 L C 0.903 177.715 176.870 -0.097 0.000 1.285 468 L CA 0.438 55.081 54.840 -0.328 0.000 1.222 468 L CB -0.000 41.745 42.059 -0.523 0.000 1.493 468 L HN 0.710 nan 8.230 nan 0.000 0.415 469 G N 0.429 109.215 108.800 -0.022 0.000 2.166 469 G HA2 -0.288 3.664 3.960 -0.013 0.000 0.260 469 G HA3 -0.288 3.664 3.960 -0.013 0.000 0.260 469 G C 0.398 175.273 174.900 -0.042 0.000 0.986 469 G CA 0.205 45.294 45.100 -0.018 0.000 0.683 469 G HN 0.479 nan 8.290 nan 0.000 0.527 470 R N -0.534 119.928 120.500 -0.063 0.000 2.854 470 R HA 0.615 4.947 4.340 -0.013 0.000 0.271 470 R C -0.989 174.944 176.300 -0.613 0.000 0.994 470 R CA -1.049 54.916 56.100 -0.224 0.000 0.945 470 R CB 1.350 31.574 30.300 -0.126 0.000 1.194 470 R HN 0.088 nan 8.270 nan 0.000 0.476 471 E N 2.737 122.572 120.200 -0.609 0.000 2.115 471 E HA 0.246 4.588 4.350 -0.013 0.000 0.282 471 E C -0.445 175.693 176.600 -0.770 0.000 0.987 471 E CA -0.217 55.824 56.400 -0.598 0.000 0.797 471 E CB 1.069 30.601 29.700 -0.281 0.000 1.086 471 E HN 0.466 nan 8.360 nan 0.000 0.397 472 H N 0.944 119.750 119.070 -0.439 0.000 2.824 472 H HA 0.511 5.059 4.556 -0.013 0.000 0.345 472 H C 0.236 175.293 175.328 -0.451 0.000 1.252 472 H CA -0.782 54.950 56.048 -0.526 0.000 1.246 472 H CB 1.707 31.022 29.762 -0.745 0.000 1.908 472 H HN 0.485 nan 8.280 nan 0.000 0.601 473 E N 0.333 120.458 120.200 -0.126 0.000 2.446 473 E HA 0.610 4.952 4.350 -0.013 0.000 0.276 473 E C -1.596 175.069 176.600 0.108 0.000 0.969 473 E CA -1.142 55.265 56.400 0.012 0.000 0.800 473 E CB 2.723 32.340 29.700 -0.139 0.000 1.341 473 E HN 0.240 nan 8.360 nan 0.000 0.460 474 L N 0.340 121.568 121.223 0.010 0.000 2.466 474 L HA 0.566 4.898 4.340 -0.013 0.000 0.258 474 L C -2.019 174.832 176.870 -0.032 0.000 0.973 474 L CA -0.661 54.184 54.840 0.010 0.000 0.826 474 L CB 2.486 44.574 42.059 0.049 0.000 1.372 474 L HN 0.570 nan 8.230 nan 0.000 0.409 475 V N 3.881 123.828 119.914 0.054 0.000 2.483 475 V HA 0.669 4.781 4.120 -0.013 0.000 0.297 475 V C -0.658 175.526 176.094 0.149 0.000 1.027 475 V CA -0.757 61.629 62.300 0.143 0.000 0.855 475 V CB 1.476 33.399 31.823 0.167 0.000 0.995 475 V HN 0.610 nan 8.190 nan 0.000 0.424 476 V N 4.321 124.328 119.914 0.155 0.000 2.495 476 V HA 1.016 5.128 4.120 -0.013 0.000 0.298 476 V C 0.288 176.330 176.094 -0.085 0.000 1.031 476 V CA 0.511 62.825 62.300 0.025 0.000 0.871 476 V CB 1.484 33.333 31.823 0.043 0.000 0.988 476 V HN 1.109 nan 8.190 nan 0.000 0.432 477 G N 3.084 111.569 108.800 -0.525 0.000 2.690 477 G HA2 0.657 4.609 3.960 -0.013 0.000 0.291 477 G HA3 0.657 4.609 3.960 -0.013 0.000 0.291 477 G C -1.142 173.333 174.900 -0.708 0.000 1.403 477 G CA -0.322 44.368 45.100 -0.683 0.000 0.864 477 G HN 0.862 nan 8.290 nan 0.000 0.480 478 T N -0.998 113.382 114.554 -0.290 0.000 2.916 478 T HA 0.743 5.085 4.350 -0.013 0.000 0.305 478 T C -0.459 174.282 174.700 0.069 0.000 1.119 478 T CA 0.012 62.047 62.100 -0.108 0.000 1.008 478 T CB 1.472 70.317 68.868 -0.037 0.000 1.129 478 T HN 1.494 nan 8.240 nan 0.000 0.480 479 S N 1.673 117.450 115.700 0.128 0.000 2.595 479 S HA 0.941 5.403 4.470 -0.013 0.000 0.281 479 S C -1.060 173.601 174.600 0.102 0.000 1.117 479 S CA -0.803 57.487 58.200 0.150 0.000 0.873 479 S CB 1.810 65.123 63.200 0.188 0.000 1.108 479 S HN 1.234 nan 8.310 nan 0.000 0.477 480 A N 1.173 124.057 122.820 0.107 0.000 2.455 480 A HA 0.889 5.201 4.320 -0.013 0.000 0.300 480 A C -0.471 177.150 177.584 0.062 0.000 1.040 480 A CA -0.614 51.453 52.037 0.050 0.000 0.697 480 A CB 1.463 20.573 19.000 0.184 0.000 1.265 480 A HN 1.825 nan 8.150 nan 0.000 0.407 481 S N 0.410 116.024 115.700 -0.144 0.000 2.540 481 S HA 0.883 5.345 4.470 -0.013 0.000 0.275 481 S C -1.260 173.191 174.600 -0.249 0.000 1.123 481 S CA -0.599 57.594 58.200 -0.012 0.000 0.907 481 S CB 1.091 64.300 63.200 0.015 0.000 1.081 481 S HN 0.589 nan 8.310 nan 0.000 0.476 482 F N 1.325 121.312 119.950 0.062 0.000 2.536 482 F HA 0.691 5.210 4.527 -0.014 0.000 0.322 482 F C 0.342 176.206 175.800 0.106 0.000 1.144 482 F CA -0.423 57.613 58.000 0.060 0.000 0.924 482 F CB 2.302 41.341 39.000 0.065 0.000 1.181 482 F HN 0.805 nan 8.300 nan 0.000 0.438 483 S N 1.088 116.947 115.700 0.264 0.000 2.599 483 S HA 0.589 5.052 4.470 -0.013 0.000 0.294 483 S C -1.447 173.442 174.600 0.482 0.000 1.094 483 S CA -0.784 57.624 58.200 0.348 0.000 0.931 483 S CB 2.235 65.631 63.200 0.326 0.000 1.093 483 S HN 0.823 nan 8.310 nan 0.000 0.488 484 H N 0.252 119.529 119.070 0.345 0.000 3.092 484 H HA 0.305 4.854 4.556 -0.011 0.000 0.308 484 H C -1.849 173.653 175.328 0.289 0.000 1.047 484 H CA -0.584 55.642 56.048 0.298 0.000 1.466 484 H CB 0.548 30.434 29.762 0.207 0.000 1.597 484 H HN 0.756 nan 8.280 nan 0.000 0.512 485 W N 5.733 127.064 121.300 0.051 0.000 2.365 485 W HA 0.371 5.021 4.660 -0.017 0.000 0.316 485 W C -1.190 175.201 176.519 -0.215 0.000 1.164 485 W CA -0.617 56.589 57.345 -0.231 0.000 1.204 485 W CB 0.816 29.895 29.460 -0.635 0.000 1.213 485 W HN 0.601 nan 8.180 nan 0.000 0.539 486 E N 3.599 123.705 120.200 -0.158 0.000 2.281 486 E HA 0.533 4.875 4.350 -0.013 0.000 0.266 486 E C -0.428 176.037 176.600 -0.225 0.000 0.893 486 E CA -0.506 55.710 56.400 -0.307 0.000 0.798 486 E CB 1.488 31.016 29.700 -0.286 0.000 1.245 486 E HN 0.636 nan 8.360 nan 0.000 0.410 487 G N 2.339 110.955 108.800 -0.307 0.000 2.695 487 G HA2 0.583 4.535 3.960 -0.013 0.000 0.290 487 G HA3 0.583 4.535 3.960 -0.013 0.000 0.290 487 G C -1.273 173.469 174.900 -0.263 0.000 1.410 487 G CA -0.678 44.307 45.100 -0.191 0.000 0.844 487 G HN 0.226 nan 8.290 nan 0.000 0.478 488 K N 0.137 120.373 120.400 -0.274 0.000 2.316 488 K HA 0.701 5.013 4.320 -0.013 0.000 0.251 488 K C -0.803 175.536 176.600 -0.436 0.000 0.934 488 K CA -0.603 55.352 56.287 -0.553 0.000 0.802 488 K CB 2.309 34.462 32.500 -0.579 0.000 1.171 488 K HN 0.404 nan 8.250 nan 0.000 0.426 489 S N 1.396 116.690 115.700 -0.677 0.000 2.513 489 S HA 0.514 4.976 4.470 -0.013 0.000 0.299 489 S C -1.383 172.570 174.600 -1.079 0.000 1.087 489 S CA -0.777 57.067 58.200 -0.593 0.000 1.012 489 S CB 0.542 63.594 63.200 -0.247 0.000 1.044 489 S HN 0.364 nan 8.310 nan 0.000 0.485 490 Y N 1.426 121.323 120.300 -0.672 0.000 2.350 490 Y HA 0.496 5.054 4.550 0.013 0.000 0.338 490 Y C 0.109 175.855 175.900 -0.257 0.000 0.961 490 Y CA -1.001 56.792 58.100 -0.511 0.000 1.100 490 Y CB 1.159 39.431 38.460 -0.315 0.000 1.179 490 Y HN 0.987 nan 8.280 nan 0.000 0.454 491 W N 0.062 121.398 121.300 0.061 0.000 1.526 491 W HA 0.349 5.004 4.660 -0.008 0.000 0.218 491 W C -1.075 175.497 176.519 0.090 0.000 0.797 491 W CA -0.565 56.831 57.345 0.085 0.000 0.997 491 W CB -0.194 29.294 29.460 0.045 0.000 0.926 491 W HN 0.165 nan 8.180 nan 0.000 0.483 492 N N 3.404 122.232 118.700 0.214 0.000 3.083 492 N HA 0.247 4.979 4.740 -0.013 0.000 0.260 492 N C -0.232 175.355 175.510 0.128 0.000 1.163 492 N CA 0.024 53.199 53.050 0.208 0.000 1.060 492 N CB 0.498 39.062 38.487 0.128 0.000 1.345 492 N HN 0.126 nan 8.380 nan 0.000 0.515 493 L N 0.859 122.158 121.223 0.127 0.000 2.439 493 L HA 0.315 4.647 4.340 -0.013 0.000 0.269 493 L C 0.774 177.654 176.870 0.017 0.000 1.179 493 L CA -0.383 54.465 54.840 0.013 0.000 0.828 493 L CB 0.376 42.388 42.059 -0.079 0.000 1.106 493 L HN 0.007 nan 8.230 nan 0.000 0.467 494 R N 2.173 122.650 120.500 -0.037 0.000 2.265 494 R HA 0.234 4.566 4.340 -0.013 0.000 0.328 494 R C -0.366 175.933 176.300 -0.001 0.000 0.969 494 R CA -0.979 55.115 56.100 -0.010 0.000 0.832 494 R CB 0.690 30.975 30.300 -0.025 0.000 1.139 494 R HN 0.623 nan 8.270 nan 0.000 0.457 495 N N 1.143 119.863 118.700 0.032 0.000 2.714 495 N HA -0.289 4.443 4.740 -0.013 0.000 0.253 495 N C -1.268 174.293 175.510 0.085 0.000 1.024 495 N CA 0.762 53.835 53.050 0.038 0.000 0.726 495 N CB -1.347 37.146 38.487 0.010 0.000 0.908 495 N HN 0.529 nan 8.380 nan 0.000 0.542 496 Y N 0.743 121.002 120.300 -0.068 0.000 2.360 496 Y HA 0.450 4.996 4.550 -0.005 0.000 0.337 496 Y C -0.326 175.545 175.900 -0.048 0.000 1.039 496 Y CA -1.788 56.263 58.100 -0.083 0.000 1.109 496 Y CB 1.157 39.550 38.460 -0.111 0.000 1.201 496 Y HN 0.103 nan 8.280 nan 0.000 0.458 497 D N 4.764 124.882 120.400 -0.470 0.000 2.456 497 D HA 0.071 4.703 4.640 -0.013 0.000 0.219 497 D C 0.126 175.947 176.300 -0.799 0.000 1.126 497 D CA -0.206 53.512 54.000 -0.469 0.000 0.890 497 D CB 0.121 40.766 40.800 -0.258 0.000 1.025 497 D HN 0.727 nan 8.370 nan 0.000 0.511 498 N N 2.052 120.360 118.700 -0.653 0.000 2.314 498 N HA -0.053 4.679 4.740 -0.013 0.000 0.200 498 N C -0.049 175.283 175.510 -0.298 0.000 1.135 498 N CA -0.320 52.392 53.050 -0.565 0.000 0.835 498 N CB -0.128 38.227 38.487 -0.221 0.000 0.989 498 N HN 0.290 nan 8.380 nan 0.000 0.478 499 T N -2.207 112.185 114.554 -0.270 0.000 2.897 499 T HA 0.271 4.613 4.350 -0.013 0.000 0.294 499 T C -0.028 174.582 174.700 -0.150 0.000 1.004 499 T CA -0.424 61.534 62.100 -0.237 0.000 1.106 499 T CB 1.555 70.310 68.868 -0.190 0.000 0.949 499 T HN 0.072 nan 8.240 nan 0.000 0.520 500 T N 1.197 115.674 114.554 -0.129 0.000 2.856 500 T HA 0.316 4.658 4.350 -0.013 0.000 0.283 500 T C 0.749 175.457 174.700 0.013 0.000 1.008 500 T CA -0.740 61.372 62.100 0.021 0.000 0.997 500 T CB 1.039 70.022 68.868 0.191 0.000 0.992 500 T HN 0.816 nan 8.240 nan 0.000 0.454 501 D N 2.372 122.805 120.400 0.055 0.000 2.328 501 D HA 0.065 4.698 4.640 -0.013 0.000 0.221 501 D C -0.119 176.236 176.300 0.091 0.000 1.072 501 D CA -0.022 54.006 54.000 0.047 0.000 0.850 501 D CB 0.374 41.194 40.800 0.034 0.000 0.922 501 D HN 0.435 nan 8.370 nan 0.000 0.516 502 D N -0.180 120.306 120.400 0.144 0.000 2.445 502 D HA 0.014 4.646 4.640 -0.013 0.000 0.236 502 D C -0.080 176.389 176.300 0.283 0.000 1.315 502 D CA -0.702 53.412 54.000 0.191 0.000 0.924 502 D CB -0.276 40.613 40.800 0.148 0.000 1.447 502 D HN -0.112 nan 8.370 nan 0.000 0.532 503 F N 2.631 122.677 119.950 0.160 0.000 2.102 503 F HA -0.024 4.495 4.527 -0.013 0.000 0.298 503 F C 1.786 177.789 175.800 0.338 0.000 1.105 503 F CA 1.372 59.502 58.000 0.217 0.000 1.239 503 F CB 0.054 39.144 39.000 0.149 0.000 0.991 503 F HN 0.384 nan 8.300 nan 0.000 0.474 504 I N 0.406 121.218 120.570 0.404 0.000 2.361 504 I HA -0.309 3.853 4.170 -0.013 0.000 0.251 504 I C 0.795 177.055 176.117 0.239 0.000 1.133 504 I CA 1.749 63.246 61.300 0.328 0.000 1.413 504 I CB -0.400 37.761 38.000 0.269 0.000 1.073 504 I HN 0.234 nan 8.210 nan 0.000 0.424 505 N N -0.715 118.103 118.700 0.197 0.000 2.275 505 N HA -0.004 4.728 4.740 -0.013 0.000 0.236 505 N C -0.271 175.305 175.510 0.110 0.000 1.154 505 N CA -0.340 52.792 53.050 0.137 0.000 0.866 505 N CB 0.140 38.681 38.487 0.089 0.000 1.093 505 N HN 0.281 nan 8.380 nan 0.000 0.515 506 W N 2.175 123.412 121.300 -0.104 0.000 2.601 506 W HA -0.182 4.469 4.660 -0.015 0.000 0.333 506 W C -0.016 176.365 176.519 -0.230 0.000 1.080 506 W CA 0.943 58.157 57.345 -0.220 0.000 1.212 506 W CB 0.494 29.713 29.460 -0.402 0.000 1.127 506 W HN 0.239 nan 8.180 nan 0.000 0.558 507 D N 2.588 122.493 120.400 -0.826 0.000 2.474 507 D HA 0.138 4.770 4.640 -0.013 0.000 0.213 507 D C 1.733 177.130 176.300 -1.505 0.000 1.120 507 D CA 0.890 54.425 54.000 -0.775 0.000 0.836 507 D CB 0.211 40.707 40.800 -0.507 0.000 1.019 507 D HN 0.698 nan 8.370 nan 0.000 0.507 508 G N 1.496 108.872 108.800 -2.373 0.000 2.179 508 G HA2 -0.298 3.654 3.960 -0.013 0.000 0.260 508 G HA3 -0.298 3.654 3.960 -0.013 0.000 0.260 508 G C 0.471 174.659 174.900 -1.187 0.000 0.977 508 G CA 0.404 44.352 45.100 -1.921 0.000 0.641 508 G HN 0.405 nan 8.290 nan 0.000 0.533 509 D N 0.702 120.522 120.400 -0.967 0.000 2.934 509 D HA 0.407 5.039 4.640 -0.013 0.000 0.237 509 D C 0.621 176.782 176.300 -0.231 0.000 1.158 509 D CA -0.276 53.457 54.000 -0.445 0.000 0.971 509 D CB -0.530 40.080 40.800 -0.317 0.000 1.123 509 D HN 0.530 nan 8.370 nan 0.000 0.467 510 I N -0.085 120.417 120.570 -0.113 0.000 2.607 510 I HA 0.527 4.689 4.170 -0.013 0.000 0.305 510 I C 0.963 177.282 176.117 0.337 0.000 0.995 510 I CA -0.904 60.494 61.300 0.163 0.000 1.148 510 I CB 1.467 39.680 38.000 0.355 0.000 1.323 510 I HN 0.180 nan 8.210 nan 0.000 0.461 511 G N 4.347 113.318 108.800 0.284 0.000 2.690 511 G HA2 0.024 3.976 3.960 -0.013 0.000 0.239 511 G HA3 0.024 3.976 3.960 -0.013 0.000 0.239 511 G C -0.651 174.469 174.900 0.366 0.000 1.233 511 G CA -0.326 44.936 45.100 0.271 0.000 0.847 511 G HN 0.732 nan 8.290 nan 0.000 0.588 512 K N 1.269 121.570 120.400 -0.166 0.000 2.185 512 K HA 0.475 4.788 4.320 -0.013 0.000 0.269 512 K C -2.166 173.909 176.600 -0.875 0.000 0.987 512 K CA -1.651 54.066 56.287 -0.951 0.000 0.865 512 K CB 1.613 33.365 32.500 -1.245 0.000 1.090 512 K HN 0.279 nan 8.250 nan 0.000 0.450 513 P HA 0.111 nan 4.420 nan 0.000 0.279 513 P C -1.177 175.377 177.300 -1.244 0.000 1.252 513 P CA -0.478 61.731 63.100 -1.486 0.000 0.811 513 P CB 0.694 31.116 31.700 -2.130 0.000 1.035 514 D N 0.617 120.578 120.400 -0.733 0.000 2.346 514 D HA 0.011 4.643 4.640 -0.013 0.000 0.260 514 D C 0.491 176.489 176.300 -0.503 0.000 1.252 514 D CA -0.104 53.586 54.000 -0.518 0.000 0.895 514 D CB 0.058 40.705 40.800 -0.256 0.000 1.097 514 D HN 0.291 nan 8.370 nan 0.000 0.489 515 W N 3.750 124.883 121.300 -0.277 0.000 2.468 515 W HA 0.063 4.688 4.660 -0.059 0.000 0.262 515 W C 1.863 178.336 176.519 -0.077 0.000 1.241 515 W CA 0.393 57.587 57.345 -0.253 0.000 1.232 515 W CB -0.225 28.925 29.460 -0.516 0.000 1.124 515 W HN 0.709 nan 8.180 nan 0.000 0.597 516 G N 0.388 109.239 108.800 0.085 0.000 2.601 516 G HA2 -0.281 3.671 3.960 -0.013 0.000 0.252 516 G HA3 -0.281 3.671 3.960 -0.013 0.000 0.252 516 G C 0.166 175.179 174.900 0.188 0.000 1.294 516 G CA 0.097 45.251 45.100 0.089 0.000 0.912 516 G HN 0.299 nan 8.290 nan 0.000 0.574 517 T N -0.600 114.022 114.554 0.114 0.000 2.927 517 T HA 0.685 5.027 4.350 -0.013 0.000 0.281 517 T C -2.500 172.127 174.700 -0.122 0.000 0.998 517 T CA -0.951 61.199 62.100 0.083 0.000 1.019 517 T CB 1.821 70.701 68.868 0.020 0.000 1.061 517 T HN 0.572 nan 8.240 nan 0.000 0.518 518 P HA 0.275 nan 4.420 nan 0.000 0.268 518 P C 0.200 177.081 177.300 -0.698 0.000 1.205 518 P CA -0.279 62.252 63.100 -0.950 0.000 0.771 518 P CB 0.520 31.604 31.700 -1.028 0.000 0.858 519 S N 0.155 115.273 115.700 -0.971 0.000 2.503 519 S HA 0.028 4.490 4.470 -0.013 0.000 0.217 519 S C 0.484 174.654 174.600 -0.717 0.000 0.999 519 S CA 0.323 57.965 58.200 -0.929 0.000 0.914 519 S CB -0.071 61.977 63.200 -1.920 0.000 0.782 519 S HN 0.584 nan 8.310 nan 0.000 0.520 520 Q N -0.424 118.930 119.800 -0.743 0.000 2.353 520 Q HA 0.422 4.754 4.340 -0.013 0.000 0.275 520 Q C -2.228 173.489 176.000 -0.471 0.000 1.029 520 Q CA -0.694 54.877 55.803 -0.387 0.000 0.848 520 Q CB 1.083 29.644 28.738 -0.296 0.000 1.390 520 Q HN 0.194 nan 8.270 nan 0.000 0.401 521 Y N 2.661 122.832 120.300 -0.216 0.000 2.341 521 Y HA 0.465 5.007 4.550 -0.013 0.000 0.337 521 Y C -0.028 175.738 175.900 -0.224 0.000 1.014 521 Y CA -0.864 57.107 58.100 -0.215 0.000 1.111 521 Y CB 1.287 39.644 38.460 -0.171 0.000 1.194 521 Y HN 0.454 nan 8.280 nan 0.000 0.462 522 I N 2.669 123.108 120.570 -0.218 0.000 2.385 522 I HA 0.250 4.412 4.170 -0.013 0.000 0.294 522 I C -0.621 175.277 176.117 -0.364 0.000 0.988 522 I CA -0.428 60.608 61.300 -0.439 0.000 1.265 522 I CB 1.467 38.926 38.000 -0.901 0.000 1.388 522 I HN 0.699 nan 8.210 nan 0.000 0.480 523 D N 3.743 123.979 120.400 -0.273 0.000 2.318 523 D HA 0.338 4.970 4.640 -0.013 0.000 0.233 523 D C -1.408 174.908 176.300 0.027 0.000 1.348 523 D CA -0.207 53.743 54.000 -0.084 0.000 0.983 523 D CB 0.888 41.710 40.800 0.036 0.000 1.416 523 D HN 0.383 nan 8.370 nan 0.000 0.558 524 D N 1.898 122.358 120.400 0.101 0.000 2.350 524 D HA 0.497 5.129 4.640 -0.013 0.000 0.245 524 D C -0.847 175.718 176.300 0.441 0.000 1.036 524 D CA -0.437 53.733 54.000 0.283 0.000 0.848 524 D CB 1.505 42.568 40.800 0.437 0.000 1.307 524 D HN 0.064 nan 8.370 nan 0.000 0.469 525 K N 1.013 121.615 120.400 0.337 0.000 2.463 525 K HA 0.521 4.833 4.320 -0.013 0.000 0.255 525 K C -0.936 175.785 176.600 0.201 0.000 0.942 525 K CA -0.603 55.850 56.287 0.276 0.000 0.814 525 K CB 2.006 34.562 32.500 0.094 0.000 1.122 525 K HN 0.246 nan 8.250 nan 0.000 0.425 526 T N 2.198 116.848 114.554 0.159 0.000 2.925 526 T HA 0.440 4.782 4.350 -0.013 0.000 0.285 526 T C -0.873 173.716 174.700 -0.184 0.000 1.021 526 T CA -0.710 61.310 62.100 -0.133 0.000 1.042 526 T CB 0.982 69.642 68.868 -0.347 0.000 1.037 526 T HN 0.334 nan 8.240 nan 0.000 0.481 527 R N 2.370 122.649 120.500 -0.368 0.000 2.512 527 R HA 0.235 4.567 4.340 -0.013 0.000 0.291 527 R C -1.602 174.422 176.300 -0.460 0.000 1.097 527 R CA -0.506 55.339 56.100 -0.425 0.000 0.940 527 R CB 1.503 31.584 30.300 -0.364 0.000 1.198 527 R HN 0.579 nan 8.270 nan 0.000 0.429 528 Q N 4.649 124.221 119.800 -0.381 0.000 2.282 528 Q HA 0.521 4.853 4.340 -0.013 0.000 0.260 528 Q C -0.904 174.992 176.000 -0.175 0.000 0.964 528 Q CA -0.728 54.968 55.803 -0.178 0.000 0.880 528 Q CB 2.064 30.763 28.738 -0.066 0.000 1.286 528 Q HN 0.564 nan 8.270 nan 0.000 0.445 529 L N 1.202 122.388 121.223 -0.062 0.000 2.410 529 L HA 0.763 5.095 4.340 -0.013 0.000 0.270 529 L C 0.023 176.926 176.870 0.054 0.000 0.983 529 L CA -0.911 53.914 54.840 -0.025 0.000 0.822 529 L CB 2.314 44.361 42.059 -0.021 0.000 1.285 529 L HN 0.643 nan 8.230 nan 0.000 0.409 530 G N 0.869 109.719 108.800 0.083 0.000 2.612 530 G HA2 0.723 4.675 3.960 -0.013 0.000 0.298 530 G HA3 0.723 4.675 3.960 -0.013 0.000 0.298 530 G C -1.404 173.580 174.900 0.141 0.000 1.336 530 G CA -0.364 44.815 45.100 0.132 0.000 0.953 530 G HN 0.437 nan 8.290 nan 0.000 0.482 531 S N -0.464 115.324 115.700 0.148 0.000 2.536 531 S HA 0.809 5.271 4.470 -0.013 0.000 0.287 531 S C -1.342 173.358 174.600 0.167 0.000 1.101 531 S CA -0.550 57.696 58.200 0.077 0.000 0.950 531 S CB 1.363 64.592 63.200 0.048 0.000 1.056 531 S HN 0.857 nan 8.310 nan 0.000 0.481 532 Y N -0.507 119.829 120.300 0.060 0.000 2.609 532 Y HA 0.836 5.378 4.550 -0.013 0.000 0.336 532 Y C -1.047 174.881 175.900 0.046 0.000 1.129 532 Y CA -1.366 56.758 58.100 0.040 0.000 1.040 532 Y CB 1.504 39.953 38.460 -0.019 0.000 1.310 532 Y HN 0.625 nan 8.280 nan 0.000 0.460 533 M N 2.388 122.132 119.600 0.240 0.000 2.325 533 M HA 0.578 5.050 4.480 -0.013 0.000 0.285 533 M C -2.129 174.255 176.300 0.141 0.000 1.119 533 M CA -0.056 55.334 55.300 0.151 0.000 0.959 533 M CB 2.422 35.089 32.600 0.111 0.000 1.737 533 M HN 0.946 nan 8.290 nan 0.000 0.486 534 T N 2.553 117.166 114.554 0.097 0.000 2.900 534 T HA 0.896 5.238 4.350 -0.013 0.000 0.295 534 T C -1.239 173.466 174.700 0.009 0.000 1.044 534 T CA -0.727 61.404 62.100 0.051 0.000 0.995 534 T CB 1.880 70.742 68.868 -0.010 0.000 1.072 534 T HN 0.714 nan 8.240 nan 0.000 0.473 535 A N 2.052 124.845 122.820 -0.046 0.000 2.386 535 A HA 0.828 5.140 4.320 -0.013 0.000 0.311 535 A C -0.462 176.861 177.584 -0.435 0.000 1.068 535 A CA -0.884 51.000 52.037 -0.255 0.000 0.743 535 A CB 1.338 20.096 19.000 -0.403 0.000 1.258 535 A HN 0.752 nan 8.150 nan 0.000 0.429 536 R N 2.637 122.813 120.500 -0.540 0.000 2.312 536 R HA 0.472 4.804 4.340 -0.013 0.000 0.310 536 R C -1.711 174.269 176.300 -0.534 0.000 1.064 536 R CA -0.333 55.358 56.100 -0.681 0.000 0.983 536 R CB 0.171 30.040 30.300 -0.718 0.000 1.139 536 R HN 0.573 nan 8.270 nan 0.000 0.536 537 F N 2.091 121.955 119.950 -0.144 0.000 2.412 537 F HA 0.183 4.703 4.527 -0.013 0.000 0.348 537 F C 1.319 177.162 175.800 0.072 0.000 1.102 537 F CA -0.493 57.462 58.000 -0.076 0.000 1.196 537 F CB 0.729 39.600 39.000 -0.215 0.000 1.144 537 F HN 0.337 nan 8.300 nan 0.000 0.541 538 N N 3.243 122.252 118.700 0.514 0.000 3.034 538 N HA 0.107 4.839 4.740 -0.013 0.000 0.265 538 N C 0.817 176.475 175.510 0.246 0.000 1.166 538 N CA -0.023 53.172 53.050 0.241 0.000 1.081 538 N CB 0.588 39.118 38.487 0.073 0.000 1.378 538 N HN 0.468 nan 8.380 nan 0.000 0.520 539 V N 0.782 120.817 119.914 0.201 0.000 2.307 539 V HA -0.113 3.999 4.120 -0.013 0.000 0.245 539 V C 1.610 177.763 176.094 0.099 0.000 1.045 539 V CA 1.775 64.161 62.300 0.143 0.000 1.024 539 V CB -0.825 31.057 31.823 0.099 0.000 0.651 539 V HN 0.661 nan 8.190 nan 0.000 0.449 540 T N -2.604 112.008 114.554 0.097 0.000 2.718 540 T HA 0.330 4.672 4.350 -0.013 0.000 0.267 540 T C 0.360 175.091 174.700 0.051 0.000 0.957 540 T CA -0.072 62.070 62.100 0.070 0.000 1.025 540 T CB 1.265 70.184 68.868 0.085 0.000 1.355 540 T HN 0.114 nan 8.240 nan 0.000 0.572 541 D N 0.687 121.103 120.400 0.028 0.000 2.310 541 D HA 0.025 4.657 4.640 -0.013 0.000 0.212 541 D C 0.754 177.047 176.300 -0.010 0.000 0.965 541 D CA 0.973 54.975 54.000 0.003 0.000 0.879 541 D CB 0.038 40.833 40.800 -0.008 0.000 0.921 541 D HN 0.689 nan 8.370 nan 0.000 0.510 542 D N -0.302 120.097 120.400 -0.002 0.000 2.582 542 D HA 0.078 4.710 4.640 -0.013 0.000 0.246 542 D C -0.254 176.071 176.300 0.042 0.000 1.334 542 D CA -0.338 53.625 54.000 -0.061 0.000 0.805 542 D CB 0.467 41.119 40.800 -0.248 0.000 1.087 542 D HN 0.055 nan 8.370 nan 0.000 0.499 543 L N 1.520 122.831 121.223 0.146 0.000 2.325 543 L HA 0.422 4.754 4.340 -0.013 0.000 0.281 543 L C -1.176 175.798 176.870 0.173 0.000 1.004 543 L CA -0.506 54.471 54.840 0.227 0.000 0.823 543 L CB 1.564 43.779 42.059 0.261 0.000 1.236 543 L HN -0.132 nan 8.230 nan 0.000 0.415 544 N N 5.042 123.854 118.700 0.188 0.000 2.417 544 N HA 0.365 5.097 4.740 -0.013 0.000 0.274 544 N C -1.467 174.168 175.510 0.209 0.000 0.987 544 N CA -0.620 52.518 53.050 0.148 0.000 0.912 544 N CB 2.506 41.042 38.487 0.082 0.000 1.177 544 N HN 0.356 nan 8.380 nan 0.000 0.490 545 L N 3.203 124.539 121.223 0.190 0.000 2.295 545 L HA 0.557 4.890 4.340 -0.013 0.000 0.285 545 L C -1.284 175.710 176.870 0.208 0.000 1.035 545 L CA -0.485 54.520 54.840 0.275 0.000 0.806 545 L CB 0.336 42.566 42.059 0.284 0.000 1.214 545 L HN 0.332 nan 8.230 nan 0.000 0.426 546 F N 5.862 125.957 119.950 0.242 0.000 2.388 546 F HA 0.552 5.071 4.527 -0.013 0.000 0.358 546 F C -0.324 175.653 175.800 0.295 0.000 1.122 546 F CA -0.312 57.834 58.000 0.244 0.000 1.056 546 F CB 1.226 40.418 39.000 0.319 0.000 1.155 546 F HN 0.225 nan 8.300 nan 0.000 0.461 547 L N 3.717 125.184 121.223 0.406 0.000 2.376 547 L HA 0.880 5.212 4.340 -0.013 0.000 0.275 547 L C -0.002 177.057 176.870 0.315 0.000 0.987 547 L CA -0.447 54.624 54.840 0.385 0.000 0.828 547 L CB 1.786 44.079 42.059 0.390 0.000 1.249 547 L HN 0.769 nan 8.230 nan 0.000 0.409 548 G N 1.377 110.382 108.800 0.341 0.000 2.548 548 G HA2 0.753 4.705 3.960 -0.013 0.000 0.301 548 G HA3 0.753 4.705 3.960 -0.013 0.000 0.301 548 G C -1.421 173.620 174.900 0.236 0.000 1.349 548 G CA -0.046 45.200 45.100 0.242 0.000 0.792 548 G HN 0.826 nan 8.290 nan 0.000 0.481 549 G N -1.189 107.702 108.800 0.151 0.000 2.523 549 G HA2 0.634 4.586 3.960 -0.013 0.000 0.291 549 G HA3 0.634 4.586 3.960 -0.013 0.000 0.291 549 G C -1.785 173.133 174.900 0.030 0.000 1.450 549 G CA -0.675 44.397 45.100 -0.047 0.000 0.790 549 G HN 0.632 nan 8.290 nan 0.000 0.496 550 R N -0.229 120.200 120.500 -0.119 0.000 2.575 550 R HA 0.642 4.974 4.340 -0.013 0.000 0.293 550 R C -1.281 175.079 176.300 0.100 0.000 0.983 550 R CA -0.683 55.454 56.100 0.062 0.000 0.887 550 R CB 2.189 32.493 30.300 0.006 0.000 1.184 550 R HN 0.792 nan 8.270 nan 0.000 0.445 551 V N 5.322 125.382 119.914 0.243 0.000 2.427 551 V HA 0.610 4.722 4.120 -0.013 0.000 0.286 551 V C -1.085 175.131 176.094 0.204 0.000 1.034 551 V CA -0.219 62.248 62.300 0.278 0.000 0.893 551 V CB 1.640 33.643 31.823 0.300 0.000 0.982 551 V HN 0.543 nan 8.190 nan 0.000 0.452 552 V N 5.991 126.038 119.914 0.221 0.000 2.769 552 V HA 0.633 4.745 4.120 -0.013 0.000 0.312 552 V C -0.766 175.460 176.094 0.220 0.000 1.061 552 V CA -0.522 61.913 62.300 0.225 0.000 0.931 552 V CB 1.979 33.989 31.823 0.313 0.000 1.010 552 V HN 1.042 nan 8.190 nan 0.000 0.433 553 D N 1.960 122.474 120.400 0.190 0.000 2.863 553 D HA 0.308 4.940 4.640 -0.013 0.000 0.245 553 D C -2.129 174.288 176.300 0.195 0.000 1.211 553 D CA -0.259 53.842 54.000 0.169 0.000 0.888 553 D CB 2.192 43.049 40.800 0.095 0.000 1.483 553 D HN 0.475 nan 8.370 nan 0.000 0.533 554 Y N 3.518 123.856 120.300 0.063 0.000 2.322 554 Y HA 0.327 4.869 4.550 -0.013 0.000 0.324 554 Y C -0.946 174.971 175.900 0.030 0.000 1.027 554 Y CA -0.838 57.282 58.100 0.034 0.000 1.179 554 Y CB 1.139 39.649 38.460 0.083 0.000 1.136 554 Y HN 0.442 nan 8.280 nan 0.000 0.449 555 R N 5.378 125.769 120.500 -0.182 0.000 2.480 555 R HA 0.770 5.102 4.340 -0.013 0.000 0.306 555 R C -2.287 173.900 176.300 -0.189 0.000 0.958 555 R CA -0.784 55.263 56.100 -0.089 0.000 0.861 555 R CB 1.833 32.117 30.300 -0.027 0.000 1.171 555 R HN 0.484 nan 8.270 nan 0.000 0.445 556 V N 4.008 123.890 119.914 -0.055 0.000 2.444 556 V HA 0.540 4.652 4.120 -0.013 0.000 0.294 556 V C -1.310 174.830 176.094 0.077 0.000 1.022 556 V CA -0.029 62.273 62.300 0.002 0.000 0.850 556 V CB 1.942 33.798 31.823 0.055 0.000 0.992 556 V HN 0.963 nan 8.190 nan 0.000 0.426 557 T N 5.148 119.754 114.554 0.088 0.000 2.887 557 T HA 0.946 5.288 4.350 -0.013 0.000 0.288 557 T C 0.205 174.974 174.700 0.114 0.000 1.021 557 T CA 0.403 62.555 62.100 0.087 0.000 1.000 557 T CB 1.565 70.470 68.868 0.060 0.000 1.034 557 T HN 1.383 nan 8.240 nan 0.000 0.467 558 G N 0.889 109.748 108.800 0.098 0.000 2.609 558 G HA2 0.186 4.138 3.960 -0.013 0.000 0.082 558 G HA3 0.186 4.138 3.960 -0.013 0.000 0.082 558 G C -0.312 174.632 174.900 0.073 0.000 1.075 558 G CA -0.558 44.601 45.100 0.099 0.000 1.172 558 G HN 0.600 nan 8.290 nan 0.000 0.532 559 L N 1.291 122.556 121.223 0.071 0.000 2.638 559 L HA 0.332 4.664 4.340 -0.013 0.000 0.232 559 L C 0.344 177.262 176.870 0.080 0.000 1.099 559 L CA -0.116 54.759 54.840 0.059 0.000 0.883 559 L CB -0.105 41.975 42.059 0.035 0.000 1.136 559 L HN 0.240 nan 8.230 nan 0.000 0.492 560 N N 0.961 119.726 118.700 0.109 0.000 2.463 560 N HA 0.280 5.012 4.740 -0.013 0.000 0.270 560 N C -2.298 173.278 175.510 0.110 0.000 1.205 560 N CA -1.377 51.750 53.050 0.128 0.000 0.974 560 N CB -0.267 38.326 38.487 0.176 0.000 1.197 560 N HN -0.188 nan 8.380 nan 0.000 0.504 561 P HA 0.040 nan 4.420 nan 0.000 0.263 561 P C -0.318 177.039 177.300 0.095 0.000 1.195 561 P CA 0.298 63.452 63.100 0.090 0.000 0.762 561 P CB -0.010 31.743 31.700 0.087 0.000 0.799 562 T N 4.037 118.641 114.554 0.083 0.000 2.830 562 T HA -0.022 4.320 4.350 -0.013 0.000 0.282 562 T C 0.582 175.336 174.700 0.089 0.000 1.024 562 T CA 0.827 62.976 62.100 0.082 0.000 1.144 562 T CB -0.442 68.465 68.868 0.066 0.000 1.035 562 T HN 0.192 nan 8.240 nan 0.000 0.507 563 I N 4.163 124.794 120.570 0.103 0.000 2.382 563 I HA 0.410 4.572 4.170 -0.013 0.000 0.286 563 I C 0.479 176.674 176.117 0.130 0.000 1.002 563 I CA -0.668 60.704 61.300 0.120 0.000 1.135 563 I CB 1.170 39.261 38.000 0.152 0.000 1.288 563 I HN 0.279 nan 8.210 nan 0.000 0.448 564 R N 4.902 125.470 120.500 0.115 0.000 2.664 564 R HA 0.601 4.933 4.340 -0.013 0.000 0.286 564 R C -1.005 175.374 176.300 0.132 0.000 0.967 564 R CA -0.675 55.494 56.100 0.115 0.000 0.933 564 R CB 2.154 32.500 30.300 0.076 0.000 1.146 564 R HN 0.494 nan 8.270 nan 0.000 0.468 565 E N 0.750 121.047 120.200 0.161 0.000 2.290 565 E HA 0.296 4.638 4.350 -0.013 0.000 0.274 565 E C -1.348 175.323 176.600 0.119 0.000 0.889 565 E CA -0.404 56.070 56.400 0.123 0.000 0.760 565 E CB 2.479 32.281 29.700 0.170 0.000 1.206 565 E HN 0.355 nan 8.360 nan 0.000 0.419 566 S N -0.005 115.732 115.700 0.062 0.000 2.561 566 S HA 0.545 5.007 4.470 -0.013 0.000 0.303 566 S C 0.434 175.064 174.600 0.050 0.000 1.110 566 S CA 0.011 58.250 58.200 0.064 0.000 1.034 566 S CB 1.505 64.734 63.200 0.049 0.000 1.010 566 S HN 0.770 nan 8.310 nan 0.000 0.482 567 G N 3.426 112.272 108.800 0.077 0.000 2.305 567 G HA2 -0.228 3.724 3.960 -0.013 0.000 0.287 567 G HA3 -0.228 3.724 3.960 -0.013 0.000 0.287 567 G C -0.005 174.941 174.900 0.076 0.000 1.036 567 G CA 0.028 45.177 45.100 0.081 0.000 0.887 567 G HN 0.591 nan 8.290 nan 0.000 0.505 568 R N -0.907 119.626 120.500 0.055 0.000 2.442 568 R HA 0.275 4.607 4.340 -0.013 0.000 0.291 568 R C -0.190 176.208 176.300 0.164 0.000 1.069 568 R CA -0.471 55.615 56.100 -0.024 0.000 1.022 568 R CB 0.473 30.553 30.300 -0.365 0.000 0.976 568 R HN 0.181 nan 8.270 nan 0.000 0.443 569 F N 4.607 124.549 119.950 -0.013 0.000 2.411 569 F HA 0.309 4.828 4.527 -0.013 0.000 0.355 569 F C 0.142 175.989 175.800 0.078 0.000 1.117 569 F CA -1.016 57.014 58.000 0.050 0.000 1.139 569 F CB 0.499 39.524 39.000 0.041 0.000 1.120 569 F HN 0.345 nan 8.300 nan 0.000 0.493 570 I N 9.299 129.595 120.570 -0.457 0.000 2.291 570 I HA 0.253 4.415 4.170 -0.013 0.000 0.290 570 I C -2.100 173.577 176.117 -0.733 0.000 1.050 570 I CA -1.871 59.195 61.300 -0.389 0.000 1.245 570 I CB 0.879 38.780 38.000 -0.165 0.000 1.405 570 I HN 0.411 nan 8.210 nan 0.000 0.478 571 P HA 0.198 nan 4.420 nan 0.000 0.278 571 P C -1.498 175.781 177.300 -0.035 0.000 1.266 571 P CA -0.389 62.534 63.100 -0.295 0.000 0.807 571 P CB 1.183 32.954 31.700 0.118 0.000 1.094 572 Y N -0.041 120.242 120.300 -0.029 0.000 2.323 572 Y HA 0.418 4.960 4.550 -0.013 0.000 0.322 572 Y C -1.782 174.183 175.900 0.108 0.000 1.133 572 Y CA -0.557 57.536 58.100 -0.011 0.000 1.093 572 Y CB 1.213 39.644 38.460 -0.048 0.000 1.203 572 Y HN 0.098 nan 8.280 nan 0.000 0.427 573 V N 4.667 124.524 119.914 -0.095 0.000 2.638 573 V HA 0.981 5.093 4.120 -0.013 0.000 0.306 573 V C -0.090 175.953 176.094 -0.085 0.000 1.052 573 V CA -0.316 62.024 62.300 0.067 0.000 0.885 573 V CB 1.567 33.468 31.823 0.131 0.000 0.999 573 V HN 0.997 nan 8.190 nan 0.000 0.424 574 G N 2.123 110.995 108.800 0.120 0.000 2.696 574 G HA2 0.897 4.849 3.960 -0.013 0.000 0.295 574 G HA3 0.897 4.849 3.960 -0.013 0.000 0.295 574 G C -1.286 173.807 174.900 0.322 0.000 1.398 574 G CA -0.204 44.955 45.100 0.097 0.000 0.920 574 G HN 1.247 nan 8.290 nan 0.000 0.492 575 A N -0.078 122.912 122.820 0.284 0.000 2.515 575 A HA 0.831 5.143 4.320 -0.013 0.000 0.298 575 A C -1.387 176.402 177.584 0.341 0.000 1.059 575 A CA -0.658 51.575 52.037 0.326 0.000 0.698 575 A CB 2.169 21.307 19.000 0.230 0.000 1.289 575 A HN 1.520 nan 8.150 nan 0.000 0.404 576 V N 2.146 122.271 119.914 0.352 0.000 2.509 576 V HA 0.279 4.391 4.120 -0.013 0.000 0.289 576 V C -1.475 174.804 176.094 0.309 0.000 1.026 576 V CA -0.340 62.158 62.300 0.331 0.000 0.872 576 V CB 1.098 33.093 31.823 0.286 0.000 1.017 576 V HN 0.831 nan 8.190 nan 0.000 0.436 577 Y N 3.730 124.126 120.300 0.160 0.000 2.341 577 Y HA 0.519 5.061 4.550 -0.013 0.000 0.340 577 Y C 0.299 176.263 175.900 0.107 0.000 0.997 577 Y CA -0.937 57.233 58.100 0.117 0.000 1.149 577 Y CB 0.957 39.476 38.460 0.098 0.000 1.171 577 Y HN 0.664 nan 8.280 nan 0.000 0.494 578 D N 6.877 127.061 120.400 -0.360 0.000 2.351 578 D HA 0.126 4.758 4.640 -0.013 0.000 0.251 578 D C 0.645 176.638 176.300 -0.511 0.000 1.137 578 D CA 0.236 54.045 54.000 -0.319 0.000 0.879 578 D CB 1.679 42.354 40.800 -0.209 0.000 1.181 578 D HN 0.704 nan 8.370 nan 0.000 0.448 579 L N 1.428 122.546 121.223 -0.174 0.000 2.349 579 L HA 0.095 4.428 4.340 -0.013 0.000 0.200 579 L C 0.634 177.491 176.870 -0.022 0.000 1.064 579 L CA 0.431 55.233 54.840 -0.063 0.000 0.821 579 L CB 0.027 42.133 42.059 0.078 0.000 1.027 579 L HN 0.221 nan 8.230 nan 0.000 0.476 580 N N -1.432 117.277 118.700 0.015 0.000 3.038 580 N HA 0.149 4.881 4.740 -0.013 0.000 0.307 580 N C -0.123 175.373 175.510 -0.024 0.000 1.441 580 N CA -0.636 52.429 53.050 0.024 0.000 0.772 580 N CB 0.442 38.990 38.487 0.101 0.000 1.651 580 N HN -0.229 nan 8.380 nan 0.000 0.593 581 D N -0.223 120.161 120.400 -0.026 0.000 2.263 581 D HA -0.042 4.591 4.640 -0.013 0.000 0.208 581 D C 0.825 177.053 176.300 -0.120 0.000 0.971 581 D CA 1.521 55.486 54.000 -0.058 0.000 0.867 581 D CB 0.124 40.902 40.800 -0.036 0.000 0.929 581 D HN 0.462 nan 8.370 nan 0.000 0.492 582 T N -1.248 113.222 114.554 -0.140 0.000 3.045 582 T HA 0.058 4.400 4.350 -0.013 0.000 0.239 582 T C 0.366 174.739 174.700 -0.544 0.000 1.008 582 T CA 0.223 62.079 62.100 -0.407 0.000 1.143 582 T CB 0.224 68.809 68.868 -0.472 0.000 0.894 582 T HN -0.020 nan 8.240 nan 0.000 0.451 583 Y N 1.351 121.590 120.300 -0.102 0.000 2.420 583 Y HA 0.643 5.185 4.550 -0.013 0.000 0.334 583 Y C 0.150 176.033 175.900 -0.029 0.000 1.094 583 Y CA -0.893 57.171 58.100 -0.060 0.000 1.126 583 Y CB 1.628 40.083 38.460 -0.008 0.000 1.217 583 Y HN -0.044 nan 8.280 nan 0.000 0.462 584 S N 1.663 117.460 115.700 0.161 0.000 2.526 584 S HA 0.636 5.098 4.470 -0.013 0.000 0.293 584 S C -0.799 173.955 174.600 0.256 0.000 1.092 584 S CA -0.949 57.346 58.200 0.159 0.000 0.980 584 S CB 1.479 64.742 63.200 0.105 0.000 1.048 584 S HN 0.522 nan 8.310 nan 0.000 0.483 585 V N 1.458 121.533 119.914 0.269 0.000 2.837 585 V HA 0.930 5.042 4.120 -0.013 0.000 0.310 585 V C -0.926 175.377 176.094 0.349 0.000 1.059 585 V CA -0.609 61.853 62.300 0.269 0.000 1.004 585 V CB 0.653 32.589 31.823 0.188 0.000 1.045 585 V HN 0.965 nan 8.190 nan 0.000 0.465 586 Y N 0.620 121.000 120.300 0.133 0.000 2.592 586 Y HA 0.929 5.471 4.550 -0.013 0.000 0.334 586 Y C -0.726 175.230 175.900 0.094 0.000 1.136 586 Y CA -0.712 57.457 58.100 0.115 0.000 1.042 586 Y CB 1.040 39.553 38.460 0.088 0.000 1.325 586 Y HN 1.168 nan 8.280 nan 0.000 0.457 587 A N 1.753 124.648 122.820 0.125 0.000 2.498 587 A HA 0.950 5.262 4.320 -0.013 0.000 0.298 587 A C -1.074 176.582 177.584 0.120 0.000 1.075 587 A CA -0.247 51.815 52.037 0.041 0.000 0.714 587 A CB 1.531 20.560 19.000 0.048 0.000 1.299 587 A HN 1.781 nan 8.150 nan 0.000 0.407 588 S N -0.193 115.539 115.700 0.054 0.000 2.537 588 S HA 0.595 5.057 4.470 -0.013 0.000 0.271 588 S C -1.476 173.069 174.600 -0.092 0.000 1.148 588 S CA -0.523 57.637 58.200 -0.066 0.000 0.868 588 S CB 1.072 64.166 63.200 -0.177 0.000 1.115 588 S HN 1.619 nan 8.310 nan 0.000 0.461 589 Y N 2.438 122.550 120.300 -0.313 0.000 2.388 589 Y HA 0.607 5.149 4.550 -0.013 0.000 0.328 589 Y C -0.176 175.458 175.900 -0.444 0.000 0.963 589 Y CA -0.038 57.819 58.100 -0.405 0.000 1.240 589 Y CB 1.217 39.481 38.460 -0.326 0.000 1.118 589 Y HN 1.070 nan 8.280 nan 0.000 0.484 590 T N 1.888 115.973 114.554 -0.782 0.000 2.932 590 T HA 0.642 4.984 4.350 -0.013 0.000 0.289 590 T C -1.204 173.093 174.700 -0.672 0.000 1.039 590 T CA -0.646 61.065 62.100 -0.649 0.000 1.024 590 T CB 2.295 70.905 68.868 -0.430 0.000 1.090 590 T HN 0.678 nan 8.240 nan 0.000 0.496 591 D N -0.060 120.069 120.400 -0.452 0.000 2.559 591 D HA 0.781 5.413 4.640 -0.013 0.000 0.250 591 D C -1.337 174.826 176.300 -0.228 0.000 1.135 591 D CA -0.792 52.990 54.000 -0.362 0.000 0.955 591 D CB 2.036 42.646 40.800 -0.318 0.000 1.442 591 D HN 0.852 nan 8.370 nan 0.000 0.471 592 I N 1.191 121.668 120.570 -0.155 0.000 2.721 592 I HA 0.413 4.575 4.170 -0.013 0.000 0.292 592 I C -1.902 174.198 176.117 -0.028 0.000 1.674 592 I CA -0.715 60.496 61.300 -0.147 0.000 0.993 592 I CB 1.121 38.975 38.000 -0.243 0.000 1.448 592 I HN 0.514 nan 8.210 nan 0.000 0.500 593 F N 5.582 125.419 119.950 -0.189 0.000 2.613 593 F HA 0.870 5.389 4.527 -0.013 0.000 0.310 593 F C -1.440 174.224 175.800 -0.227 0.000 1.085 593 F CA -1.089 56.802 58.000 -0.181 0.000 0.945 593 F CB 1.709 40.618 39.000 -0.150 0.000 1.298 593 F HN 0.340 nan 8.300 nan 0.000 0.455 594 M N 4.073 123.566 119.600 -0.178 0.000 2.151 594 M HA 0.614 5.086 4.480 -0.013 0.000 0.290 594 M C -3.049 173.172 176.300 -0.132 0.000 0.965 594 M CA -2.883 52.226 55.300 -0.320 0.000 0.930 594 M CB 1.937 34.387 32.600 -0.251 0.000 1.560 594 M HN 0.336 nan 8.290 nan 0.000 0.438 595 P HA 0.108 nan 4.420 nan 0.000 0.266 595 P C -1.159 176.114 177.300 -0.046 0.000 1.195 595 P CA 0.004 63.077 63.100 -0.046 0.000 0.768 595 P CB 0.446 32.121 31.700 -0.043 0.000 0.838 596 Q N 1.740 121.529 119.800 -0.019 0.000 2.443 596 Q HA 0.093 4.425 4.340 -0.013 0.000 0.232 596 Q C 0.057 176.024 176.000 -0.055 0.000 1.026 596 Q CA 0.181 55.964 55.803 -0.034 0.000 0.924 596 Q CB 0.286 29.003 28.738 -0.036 0.000 1.256 596 Q HN 0.400 nan 8.270 nan 0.000 0.519 597 D N -0.185 120.127 120.400 -0.146 0.000 2.368 597 D HA -0.048 4.584 4.640 -0.013 0.000 0.240 597 D C 0.677 176.666 176.300 -0.519 0.000 1.169 597 D CA 0.434 54.130 54.000 -0.506 0.000 0.906 597 D CB 1.130 41.131 40.800 -1.332 0.000 1.187 597 D HN 0.705 nan 8.370 nan 0.000 0.435 598 S N 1.174 116.712 115.700 -0.271 0.000 2.474 598 S HA -0.138 4.325 4.470 -0.013 0.000 0.235 598 S C 1.501 176.142 174.600 0.068 0.000 0.997 598 S CA 0.282 58.487 58.200 0.008 0.000 0.949 598 S CB -0.449 62.865 63.200 0.190 0.000 0.766 598 S HN 0.717 nan 8.310 nan 0.000 0.517 599 W N -0.634 120.610 121.300 -0.093 0.000 3.139 599 W HA 0.459 5.112 4.660 -0.011 0.000 0.260 599 W C -0.337 176.123 176.519 -0.097 0.000 1.312 599 W CA -0.954 56.343 57.345 -0.080 0.000 1.606 599 W CB -0.576 28.837 29.460 -0.078 0.000 1.118 599 W HN 0.042 nan 8.180 nan 0.000 0.675 600 Y N 4.146 124.193 120.300 -0.421 0.000 2.603 600 Y HA 0.255 4.797 4.550 -0.013 0.000 0.341 600 Y C 0.845 176.690 175.900 -0.091 0.000 1.272 600 Y CA -0.971 56.846 58.100 -0.473 0.000 1.891 600 Y CB -0.966 37.111 38.460 -0.639 0.000 1.910 600 Y HN 0.055 nan 8.280 nan 0.000 0.432 601 R N 0.022 120.685 120.500 0.273 0.000 2.944 601 R HA 0.621 4.953 4.340 -0.013 0.000 0.233 601 R C -0.647 175.776 176.300 0.205 0.000 1.346 601 R CA -1.018 55.200 56.100 0.197 0.000 1.082 601 R CB 0.848 31.244 30.300 0.159 0.000 1.434 601 R HN 0.293 nan 8.270 nan 0.000 0.510 602 D N -1.386 119.060 120.400 0.077 0.000 2.727 602 D HA 0.196 4.828 4.640 -0.013 0.000 0.264 602 D C 0.468 176.668 176.300 -0.167 0.000 1.101 602 D CA -0.823 53.172 54.000 -0.008 0.000 1.122 602 D CB 0.578 41.377 40.800 -0.001 0.000 1.390 602 D HN 0.227 nan 8.370 nan 0.000 0.606 603 S N -0.978 114.561 115.700 -0.269 0.000 2.426 603 S HA -0.219 4.244 4.470 -0.013 0.000 0.253 603 S C 1.591 175.989 174.600 -0.337 0.000 1.104 603 S CA 2.226 60.155 58.200 -0.452 0.000 1.158 603 S CB -0.591 62.468 63.200 -0.235 0.000 1.043 603 S HN 0.538 nan 8.310 nan 0.000 0.443 604 S N 0.516 116.121 115.700 -0.159 0.000 2.556 604 S HA 0.212 4.674 4.470 -0.013 0.000 0.216 604 S C 0.567 175.142 174.600 -0.041 0.000 0.970 604 S CA 0.103 58.255 58.200 -0.081 0.000 0.912 604 S CB 0.019 63.194 63.200 -0.043 0.000 0.790 604 S HN 0.599 nan 8.310 nan 0.000 0.504 605 N N 1.738 120.415 118.700 -0.039 0.000 2.780 605 N HA -0.162 4.570 4.740 -0.013 0.000 0.248 605 N C -0.788 174.743 175.510 0.035 0.000 1.102 605 N CA 0.685 53.747 53.050 0.020 0.000 0.697 605 N CB -1.177 37.331 38.487 0.036 0.000 1.028 605 N HN 0.394 nan 8.380 nan 0.000 0.554 606 K N 0.400 120.815 120.400 0.025 0.000 2.182 606 K HA 0.364 4.676 4.320 -0.013 0.000 0.262 606 K C -0.118 176.509 176.600 0.045 0.000 0.957 606 K CA -0.980 55.325 56.287 0.031 0.000 0.842 606 K CB 1.491 34.001 32.500 0.016 0.000 1.099 606 K HN 0.185 nan 8.250 nan 0.000 0.438 607 L N 4.091 125.343 121.223 0.049 0.000 2.453 607 L HA 0.133 4.465 4.340 -0.013 0.000 0.272 607 L C -0.295 176.596 176.870 0.035 0.000 1.182 607 L CA 0.122 54.993 54.840 0.052 0.000 0.858 607 L CB 0.335 42.424 42.059 0.051 0.000 1.120 607 L HN 0.509 nan 8.230 nan 0.000 0.474 608 L N 3.464 124.706 121.223 0.032 0.000 2.483 608 L HA 0.037 4.369 4.340 -0.013 0.000 0.275 608 L C 0.782 177.650 176.870 -0.004 0.000 1.220 608 L CA -0.067 54.777 54.840 0.007 0.000 0.833 608 L CB 0.276 42.321 42.059 -0.023 0.000 1.102 608 L HN 0.689 nan 8.230 nan 0.000 0.490 609 E N 3.105 123.298 120.200 -0.011 0.000 2.442 609 E HA 0.021 4.363 4.350 -0.013 0.000 0.260 609 E C -2.278 174.309 176.600 -0.021 0.000 1.148 609 E CA -0.851 55.539 56.400 -0.017 0.000 0.976 609 E CB 0.350 30.037 29.700 -0.022 0.000 0.967 609 E HN 0.216 nan 8.360 nan 0.000 0.454 610 P HA -0.026 nan 4.420 nan 0.000 0.267 610 P C -0.913 176.395 177.300 0.014 0.000 1.209 610 P CA 0.044 63.155 63.100 0.018 0.000 0.763 610 P CB 0.384 32.133 31.700 0.083 0.000 0.816 611 D N 3.040 123.433 120.400 -0.013 0.000 2.554 611 D HA -0.074 4.558 4.640 -0.013 0.000 0.251 611 D C -0.034 176.274 176.300 0.013 0.000 1.213 611 D CA 1.005 54.992 54.000 -0.021 0.000 0.900 611 D CB 0.188 40.953 40.800 -0.058 0.000 1.135 611 D HN 0.330 nan 8.370 nan 0.000 0.522 612 E N 0.860 121.071 120.200 0.018 0.000 2.263 612 E HA 0.788 5.130 4.350 -0.013 0.000 0.264 612 E C -0.550 176.042 176.600 -0.013 0.000 0.923 612 E CA -1.045 55.373 56.400 0.030 0.000 0.802 612 E CB 1.756 31.474 29.700 0.029 0.000 1.228 612 E HN 0.436 nan 8.360 nan 0.000 0.417 613 G N 1.476 110.242 108.800 -0.056 0.000 2.752 613 G HA2 0.369 4.321 3.960 -0.013 0.000 0.298 613 G HA3 0.369 4.321 3.960 -0.013 0.000 0.298 613 G C -1.661 173.150 174.900 -0.149 0.000 1.434 613 G CA -0.692 44.359 45.100 -0.083 0.000 1.004 613 G HN 0.278 nan 8.290 nan 0.000 0.560 614 Q N 0.058 119.789 119.800 -0.115 0.000 2.235 614 Q HA 0.537 4.869 4.340 -0.013 0.000 0.256 614 Q C -0.100 175.751 176.000 -0.247 0.000 0.951 614 Q CA -0.741 54.864 55.803 -0.330 0.000 0.890 614 Q CB 2.119 30.644 28.738 -0.355 0.000 1.279 614 Q HN 0.670 nan 8.270 nan 0.000 0.444 615 N N 0.525 118.975 118.700 -0.417 0.000 2.372 615 N HA 0.433 5.165 4.740 -0.013 0.000 0.285 615 N C -1.726 173.609 175.510 -0.292 0.000 1.008 615 N CA -0.401 52.529 53.050 -0.201 0.000 0.880 615 N CB 0.743 39.096 38.487 -0.224 0.000 1.239 615 N HN 0.377 nan 8.380 nan 0.000 0.484 616 Y N 1.209 121.528 120.300 0.032 0.000 2.352 616 Y HA 0.420 4.963 4.550 -0.013 0.000 0.339 616 Y C -0.097 175.852 175.900 0.081 0.000 0.992 616 Y CA -0.719 57.428 58.100 0.078 0.000 1.100 616 Y CB 1.722 40.252 38.460 0.117 0.000 1.192 616 Y HN 0.484 nan 8.280 nan 0.000 0.458 617 E N 3.616 123.924 120.200 0.180 0.000 2.290 617 E HA 0.563 4.905 4.350 -0.013 0.000 0.274 617 E C -1.747 174.873 176.600 0.034 0.000 0.889 617 E CA -0.626 55.852 56.400 0.130 0.000 0.760 617 E CB 2.215 31.986 29.700 0.119 0.000 1.206 617 E HN 0.696 nan 8.360 nan 0.000 0.419 618 I N 2.945 123.521 120.570 0.009 0.000 2.689 618 I HA 0.840 5.002 4.170 -0.013 0.000 0.299 618 I C -0.531 175.414 176.117 -0.286 0.000 1.059 618 I CA -0.319 60.878 61.300 -0.172 0.000 1.055 618 I CB 1.748 39.738 38.000 -0.017 0.000 1.243 618 I HN 0.682 nan 8.210 nan 0.000 0.425 619 G N 6.317 114.747 108.800 -0.616 0.000 2.488 619 G HA2 0.468 4.420 3.960 -0.013 0.000 0.301 619 G HA3 0.468 4.420 3.960 -0.013 0.000 0.301 619 G C -2.289 172.543 174.900 -0.113 0.000 1.339 619 G CA -0.585 44.306 45.100 -0.349 0.000 0.803 619 G HN 0.716 nan 8.290 nan 0.000 0.482 620 I N -0.605 120.077 120.570 0.186 0.000 2.647 620 I HA 0.744 4.906 4.170 -0.013 0.000 0.295 620 I C -1.223 175.104 176.117 0.350 0.000 1.078 620 I CA -0.980 60.485 61.300 0.275 0.000 1.048 620 I CB 2.054 40.166 38.000 0.186 0.000 1.239 620 I HN 0.437 nan 8.210 nan 0.000 0.421 621 K N 4.871 125.459 120.400 0.315 0.000 2.378 621 K HA 0.713 5.025 4.320 -0.013 0.000 0.252 621 K C -0.713 175.924 176.600 0.062 0.000 0.931 621 K CA -0.794 55.601 56.287 0.179 0.000 0.794 621 K CB 2.237 34.784 32.500 0.078 0.000 1.181 621 K HN 0.765 nan 8.250 nan 0.000 0.425 622 G N 0.984 109.729 108.800 -0.091 0.000 2.498 622 G HA2 0.519 4.471 3.960 -0.013 0.000 0.312 622 G HA3 0.519 4.471 3.960 -0.013 0.000 0.312 622 G C -1.499 172.954 174.900 -0.744 0.000 1.230 622 G CA -0.283 44.444 45.100 -0.622 0.000 0.968 622 G HN 0.568 nan 8.290 nan 0.000 0.481 623 E N -0.357 119.187 120.200 -1.093 0.000 2.308 623 E HA 0.611 4.953 4.350 -0.013 0.000 0.275 623 E C -1.705 174.407 176.600 -0.813 0.000 0.890 623 E CA -0.706 55.263 56.400 -0.718 0.000 0.754 623 E CB 1.927 31.406 29.700 -0.367 0.000 1.207 623 E HN 0.494 nan 8.360 nan 0.000 0.426 624 Y N 2.057 122.293 120.300 -0.107 0.000 2.644 624 Y HA 0.357 4.899 4.550 -0.013 0.000 0.338 624 Y C 0.186 176.057 175.900 -0.050 0.000 1.119 624 Y CA -1.264 56.785 58.100 -0.085 0.000 1.060 624 Y CB 1.206 39.617 38.460 -0.081 0.000 1.294 624 Y HN 0.478 nan 8.280 nan 0.000 0.472 625 L N 1.448 122.754 121.223 0.138 0.000 3.936 625 L HA -0.315 4.017 4.340 -0.013 0.000 0.453 625 L C -0.349 176.550 176.870 0.049 0.000 1.158 625 L CA 1.146 56.032 54.840 0.077 0.000 0.831 625 L CB -1.513 40.589 42.059 0.071 0.000 1.746 625 L HN 0.855 nan 8.230 nan 0.000 0.912 626 D N 0.319 120.735 120.400 0.025 0.000 2.699 626 D HA -0.138 4.494 4.640 -0.013 0.000 0.239 626 D C 1.255 177.560 176.300 0.008 0.000 1.136 626 D CA 2.050 56.055 54.000 0.008 0.000 0.668 626 D CB -0.960 39.852 40.800 0.020 0.000 1.060 626 D HN 0.950 nan 8.370 nan 0.000 0.429 627 G N -0.077 108.721 108.800 -0.002 0.000 2.179 627 G HA2 -0.439 3.513 3.960 -0.013 0.000 0.260 627 G HA3 -0.439 3.513 3.960 -0.013 0.000 0.260 627 G C 1.145 176.060 174.900 0.026 0.000 0.977 627 G CA 0.690 45.788 45.100 -0.002 0.000 0.641 627 G HN 0.566 nan 8.290 nan 0.000 0.533 628 R N -0.797 119.728 120.500 0.041 0.000 2.285 628 R HA 0.347 4.680 4.340 -0.013 0.000 0.213 628 R C 0.775 177.108 176.300 0.056 0.000 1.068 628 R CA 1.322 57.451 56.100 0.047 0.000 1.004 628 R CB -0.001 30.327 30.300 0.046 0.000 0.873 628 R HN 0.597 nan 8.270 nan 0.000 0.467 629 L N -0.134 121.143 121.223 0.091 0.000 2.526 629 L HA 0.382 4.714 4.340 -0.013 0.000 0.263 629 L C -1.846 175.155 176.870 0.218 0.000 0.943 629 L CA -0.592 54.324 54.840 0.128 0.000 0.859 629 L CB 2.219 44.336 42.059 0.096 0.000 1.313 629 L HN -0.128 nan 8.230 nan 0.000 0.406 630 N N 1.309 120.101 118.700 0.153 0.000 2.335 630 N HA 0.875 5.607 4.740 -0.013 0.000 0.304 630 N C -1.342 174.274 175.510 0.176 0.000 1.135 630 N CA -0.503 52.613 53.050 0.110 0.000 0.817 630 N CB 2.219 40.729 38.487 0.038 0.000 1.294 630 N HN 0.736 nan 8.380 nan 0.000 0.497 631 T N -2.394 112.266 114.554 0.175 0.000 2.903 631 T HA 0.795 5.137 4.350 -0.013 0.000 0.299 631 T C -0.941 173.855 174.700 0.160 0.000 1.093 631 T CA -0.890 61.331 62.100 0.200 0.000 1.002 631 T CB 1.298 70.359 68.868 0.321 0.000 1.127 631 T HN 0.463 nan 8.240 nan 0.000 0.488 632 S N 1.677 117.477 115.700 0.167 0.000 2.540 632 S HA 0.739 5.201 4.470 -0.013 0.000 0.275 632 S C -1.450 173.275 174.600 0.209 0.000 1.123 632 S CA -0.970 57.345 58.200 0.191 0.000 0.907 632 S CB 1.752 65.049 63.200 0.160 0.000 1.081 632 S HN 1.095 nan 8.310 nan 0.000 0.476 633 L N 2.279 123.640 121.223 0.230 0.000 2.372 633 L HA 0.906 5.238 4.340 -0.013 0.000 0.274 633 L C -0.661 176.351 176.870 0.236 0.000 0.988 633 L CA -0.627 54.341 54.840 0.213 0.000 0.833 633 L CB 0.987 43.138 42.059 0.154 0.000 1.236 633 L HN 1.147 nan 8.230 nan 0.000 0.410 634 A N 4.414 127.403 122.820 0.282 0.000 2.371 634 A HA 0.634 4.946 4.320 -0.013 0.000 0.311 634 A C -1.977 175.823 177.584 0.359 0.000 1.068 634 A CA -0.488 51.727 52.037 0.296 0.000 0.744 634 A CB 0.945 20.151 19.000 0.342 0.000 1.239 634 A HN 0.696 nan 8.150 nan 0.000 0.435 635 Y N 2.964 123.364 120.300 0.167 0.000 2.328 635 Y HA 0.646 5.189 4.550 -0.013 0.000 0.337 635 Y C -0.930 175.085 175.900 0.190 0.000 1.008 635 Y CA -1.221 56.957 58.100 0.131 0.000 1.129 635 Y CB 0.874 39.359 38.460 0.041 0.000 1.185 635 Y HN 0.697 nan 8.280 nan 0.000 0.476 636 F N 2.371 121.867 119.950 -0.757 0.000 2.613 636 F HA 0.750 5.270 4.527 -0.013 0.000 0.314 636 F C -1.544 173.943 175.800 -0.522 0.000 1.075 636 F CA -1.326 56.402 58.000 -0.452 0.000 0.945 636 F CB 1.848 40.737 39.000 -0.184 0.000 1.310 636 F HN 0.423 nan 8.300 nan 0.000 0.467 637 E N 2.280 122.553 120.200 0.120 0.000 2.260 637 E HA 0.549 4.891 4.350 -0.013 0.000 0.266 637 E C -1.729 175.123 176.600 0.420 0.000 0.887 637 E CA -0.616 55.901 56.400 0.194 0.000 0.777 637 E CB 2.163 31.986 29.700 0.205 0.000 1.205 637 E HN 0.733 nan 8.360 nan 0.000 0.414 638 I N 3.861 124.646 120.570 0.357 0.000 2.359 638 I HA 0.221 4.383 4.170 -0.013 0.000 0.294 638 I C -0.222 176.115 176.117 0.368 0.000 0.987 638 I CA -0.469 61.023 61.300 0.320 0.000 1.225 638 I CB 0.997 39.089 38.000 0.153 0.000 1.366 638 I HN 0.437 nan 8.210 nan 0.000 0.466 639 H N 5.920 125.106 119.070 0.194 0.000 2.597 639 H HA 0.270 4.818 4.556 -0.013 0.000 0.303 639 H C -0.514 174.877 175.328 0.105 0.000 1.057 639 H CA -0.583 55.561 56.048 0.160 0.000 1.261 639 H CB 1.204 31.083 29.762 0.194 0.000 1.397 639 H HN 0.567 nan 8.280 nan 0.000 0.461 640 E N 3.412 123.731 120.200 0.199 0.000 2.349 640 E HA 0.060 4.402 4.350 -0.013 0.000 0.265 640 E C -0.323 176.348 176.600 0.117 0.000 1.064 640 E CA -0.636 55.851 56.400 0.145 0.000 0.886 640 E CB 0.840 30.661 29.700 0.201 0.000 1.036 640 E HN 0.680 nan 8.360 nan 0.000 0.413 641 E N 3.027 123.275 120.200 0.079 0.000 2.413 641 E HA 0.206 4.548 4.350 -0.013 0.000 0.277 641 E C -0.754 175.861 176.600 0.025 0.000 0.958 641 E CA -0.915 55.518 56.400 0.056 0.000 0.779 641 E CB 0.801 30.539 29.700 0.063 0.000 1.278 641 E HN 0.603 nan 8.360 nan 0.000 0.456 642 N N 0.613 119.319 118.700 0.010 0.000 2.740 642 N HA -0.217 4.515 4.740 -0.013 0.000 0.248 642 N C -0.326 175.159 175.510 -0.042 0.000 1.062 642 N CA 1.074 54.114 53.050 -0.017 0.000 0.704 642 N CB -1.106 37.368 38.487 -0.022 0.000 0.968 642 N HN 0.656 nan 8.380 nan 0.000 0.547 643 R N 0.561 121.045 120.500 -0.026 0.000 2.347 643 R HA 0.422 4.754 4.340 -0.013 0.000 0.304 643 R C 0.270 176.508 176.300 -0.102 0.000 1.072 643 R CA -0.055 56.016 56.100 -0.048 0.000 0.980 643 R CB 0.503 30.804 30.300 0.002 0.000 0.986 643 R HN 0.195 nan 8.270 nan 0.000 0.448 644 A N 4.832 127.512 122.820 -0.233 0.000 2.515 644 A HA 0.070 4.382 4.320 -0.013 0.000 0.263 644 A C -0.271 177.250 177.584 -0.105 0.000 1.096 644 A CA 0.248 52.074 52.037 -0.351 0.000 0.769 644 A CB 0.157 18.550 19.000 -1.012 0.000 1.040 644 A HN 0.817 nan 8.150 nan 0.000 0.505 645 E N 2.231 122.469 120.200 0.063 0.000 2.263 645 E HA 0.122 4.464 4.350 -0.013 0.000 0.268 645 E C 0.566 177.280 176.600 0.191 0.000 0.884 645 E CA -0.509 55.978 56.400 0.144 0.000 0.766 645 E CB 1.198 30.931 29.700 0.055 0.000 1.196 645 E HN 0.894 nan 8.360 nan 0.000 0.416 646 E N 2.344 122.643 120.200 0.164 0.000 2.661 646 E HA -0.390 3.952 4.350 -0.013 0.000 0.250 646 E C -0.382 176.007 176.600 -0.352 0.000 1.059 646 E CA 2.422 58.697 56.400 -0.208 0.000 1.381 646 E CB -0.090 29.571 29.700 -0.065 0.000 1.255 646 E HN 0.777 nan 8.360 nan 0.000 0.469 647 D N -2.183 118.131 120.400 -0.143 0.000 4.161 647 D HA -0.153 4.479 4.640 -0.013 0.000 0.246 647 D C -0.035 176.195 176.300 -0.115 0.000 1.064 647 D CA 0.817 54.753 54.000 -0.107 0.000 1.187 647 D CB -0.936 39.807 40.800 -0.096 0.000 0.871 647 D HN 0.344 nan 8.370 nan 0.000 0.413 648 A N 3.360 126.145 122.820 -0.059 0.000 1.943 648 A HA 0.127 4.439 4.320 -0.013 0.000 0.213 648 A C 2.461 180.031 177.584 -0.024 0.000 1.181 648 A CA 0.719 52.729 52.037 -0.044 0.000 0.653 648 A CB -0.100 18.887 19.000 -0.021 0.000 0.833 648 A HN 0.509 nan 8.150 nan 0.000 0.451 649 L N -1.883 119.339 121.223 -0.001 0.000 2.093 649 L HA -0.140 4.192 4.340 -0.013 0.000 0.208 649 L C 2.508 179.389 176.870 0.019 0.000 1.085 649 L CA 1.431 56.277 54.840 0.009 0.000 0.755 649 L CB -0.541 41.531 42.059 0.021 0.000 0.904 649 L HN 0.557 nan 8.230 nan 0.000 0.435 650 Y N 1.484 121.747 120.300 -0.062 0.000 2.089 650 Y HA -0.281 4.261 4.550 -0.014 0.000 0.282 650 Y C 2.519 178.381 175.900 -0.063 0.000 1.139 650 Y CA 1.792 59.855 58.100 -0.062 0.000 1.123 650 Y CB -0.322 38.090 38.460 -0.080 0.000 0.980 650 Y HN 0.211 nan 8.280 nan 0.000 0.493 651 N N -0.174 118.463 118.700 -0.106 0.000 2.137 651 N HA -0.205 4.527 4.740 -0.013 0.000 0.190 651 N C 2.039 177.477 175.510 -0.119 0.000 1.017 651 N CA 1.515 54.480 53.050 -0.141 0.000 0.859 651 N CB -0.868 37.531 38.487 -0.146 0.000 1.002 651 N HN 0.279 nan 8.380 nan 0.000 0.428 652 S N -0.015 115.629 115.700 -0.094 0.000 2.434 652 S HA -0.200 4.262 4.470 -0.013 0.000 0.243 652 S C 0.744 175.277 174.600 -0.111 0.000 1.045 652 S CA 1.452 59.605 58.200 -0.078 0.000 1.019 652 S CB -0.071 63.093 63.200 -0.060 0.000 0.811 652 S HN 0.488 nan 8.310 nan 0.000 0.485 653 K N -0.053 120.226 120.400 -0.202 0.000 2.335 653 K HA 0.209 4.521 4.320 -0.013 0.000 0.341 653 K C -3.444 172.931 176.600 -0.375 0.000 1.578 653 K CA -0.871 55.293 56.287 -0.204 0.000 1.032 653 K CB 0.393 32.819 32.500 -0.124 0.000 1.422 653 K HN -0.165 nan 8.250 nan 0.000 0.478 654 P HA 0.105 nan 4.420 nan 0.000 0.266 654 P C -0.344 176.779 177.300 -0.296 0.000 1.195 654 P CA -0.066 62.562 63.100 -0.786 0.000 0.768 654 P CB 0.996 32.486 31.700 -0.351 0.000 0.838 655 T N -1.558 112.964 114.554 -0.053 0.000 3.046 655 T HA 0.102 4.444 4.350 -0.013 0.000 0.270 655 T C 0.219 175.039 174.700 0.201 0.000 0.920 655 T CA -0.060 62.103 62.100 0.105 0.000 0.874 655 T CB -0.144 68.806 68.868 0.136 0.000 1.214 655 T HN 0.292 nan 8.240 nan 0.000 0.536 656 N N 2.949 121.854 118.700 0.341 0.000 2.444 656 N HA 0.327 5.059 4.740 -0.013 0.000 0.262 656 N C -1.941 173.683 175.510 0.190 0.000 0.974 656 N CA -2.504 50.673 53.050 0.210 0.000 0.933 656 N CB 2.045 40.617 38.487 0.143 0.000 1.137 656 N HN -0.134 nan 8.380 nan 0.000 0.498 657 P HA -0.116 nan 4.420 nan 0.000 0.221 657 P C 0.831 178.192 177.300 0.102 0.000 1.145 657 P CA 0.712 63.870 63.100 0.096 0.000 0.795 657 P CB 0.239 31.980 31.700 0.067 0.000 0.775 658 A N 0.371 123.251 122.820 0.099 0.000 1.849 658 A HA -0.120 4.192 4.320 -0.013 0.000 0.217 658 A C 1.198 178.851 177.584 0.115 0.000 1.202 658 A CA 1.478 53.569 52.037 0.090 0.000 0.629 658 A CB -1.311 17.730 19.000 0.068 0.000 0.834 658 A HN 0.223 nan 8.150 nan 0.000 0.447 659 I N -2.861 117.794 120.570 0.142 0.000 2.460 659 I HA 0.457 4.619 4.170 -0.013 0.000 0.298 659 I C 0.929 177.215 176.117 0.281 0.000 0.989 659 I CA 0.014 61.425 61.300 0.185 0.000 1.173 659 I CB 1.774 39.859 38.000 0.141 0.000 1.338 659 I HN 0.028 nan 8.210 nan 0.000 0.456 660 T N 2.476 117.183 114.554 0.255 0.000 3.000 660 T HA 0.160 4.502 4.350 -0.013 0.000 0.248 660 T C -0.609 174.277 174.700 0.310 0.000 1.034 660 T CA 0.764 63.002 62.100 0.229 0.000 1.060 660 T CB 0.034 68.990 68.868 0.147 0.000 0.983 660 T HN 0.485 nan 8.240 nan 0.000 0.482 661 Y N 2.025 122.420 120.300 0.159 0.000 2.609 661 Y HA 0.671 5.213 4.550 -0.012 0.000 0.350 661 Y C -0.077 175.865 175.900 0.069 0.000 1.050 661 Y CA -1.635 56.523 58.100 0.096 0.000 1.290 661 Y CB 0.132 38.615 38.460 0.039 0.000 1.094 661 Y HN 0.172 nan 8.280 nan 0.000 0.583 662 A N 3.425 126.226 122.820 -0.032 0.000 2.386 662 A HA 0.474 4.786 4.320 -0.013 0.000 0.246 662 A C -1.204 176.122 177.584 -0.430 0.000 1.089 662 A CA 0.330 52.303 52.037 -0.106 0.000 0.790 662 A CB 0.311 19.196 19.000 -0.192 0.000 1.042 662 A HN 0.732 nan 8.150 nan 0.000 0.497 663 Y N -0.584 119.702 120.300 -0.024 0.000 2.876 663 Y HA 0.733 5.275 4.550 -0.014 0.000 0.318 663 Y C 0.240 176.115 175.900 -0.041 0.000 1.275 663 Y CA -0.674 57.413 58.100 -0.020 0.000 1.144 663 Y CB 1.441 39.947 38.460 0.077 0.000 1.376 663 Y HN 0.659 nan 8.280 nan 0.000 0.589 664 K N -0.436 120.064 120.400 0.166 0.000 2.561 664 K HA 0.542 4.854 4.320 -0.013 0.000 0.254 664 K C -1.291 175.334 176.600 0.041 0.000 0.942 664 K CA -0.491 55.830 56.287 0.057 0.000 0.818 664 K CB 1.566 34.081 32.500 0.024 0.000 1.306 664 K HN 0.869 nan 8.250 nan 0.000 0.435 665 G N 5.532 114.340 108.800 0.013 0.000 2.607 665 G HA2 0.447 4.399 3.960 -0.013 0.000 0.332 665 G HA3 0.447 4.399 3.960 -0.013 0.000 0.332 665 G C 0.104 175.003 174.900 -0.003 0.000 1.046 665 G CA -0.583 44.511 45.100 -0.010 0.000 1.099 665 G HN 0.581 nan 8.290 nan 0.000 0.451 666 I N -1.150 119.418 120.570 -0.003 0.000 3.830 666 I HA 0.717 4.879 4.170 -0.013 0.000 0.272 666 I C -0.083 176.043 176.117 0.014 0.000 1.333 666 I CA -1.401 59.903 61.300 0.006 0.000 1.006 666 I CB 1.427 39.430 38.000 0.005 0.000 1.472 666 I HN -0.000 nan 8.210 nan 0.000 0.604 667 K N 0.840 121.252 120.400 0.019 0.000 2.345 667 K HA 0.771 5.083 4.320 -0.013 0.000 0.255 667 K C -1.313 175.302 176.600 0.024 0.000 0.934 667 K CA -0.728 55.579 56.287 0.033 0.000 0.801 667 K CB 2.202 34.723 32.500 0.036 0.000 1.137 667 K HN 0.802 nan 8.250 nan 0.000 0.424 668 A N 2.782 125.627 122.820 0.042 0.000 2.423 668 A HA 0.658 4.970 4.320 -0.013 0.000 0.304 668 A C -1.298 176.302 177.584 0.025 0.000 1.104 668 A CA -0.687 51.365 52.037 0.027 0.000 0.757 668 A CB 1.472 20.492 19.000 0.032 0.000 1.313 668 A HN 0.637 nan 8.150 nan 0.000 0.423 669 K N 0.370 120.758 120.400 -0.020 0.000 2.427 669 K HA 0.587 4.899 4.320 -0.013 0.000 0.252 669 K C -1.240 175.359 176.600 -0.001 0.000 0.931 669 K CA -0.299 55.952 56.287 -0.060 0.000 0.793 669 K CB 2.024 34.403 32.500 -0.202 0.000 1.211 669 K HN 0.708 nan 8.250 nan 0.000 0.426 670 T N 3.205 117.811 114.554 0.085 0.000 2.829 670 T HA 0.374 4.716 4.350 -0.013 0.000 0.282 670 T C -0.829 173.891 174.700 0.034 0.000 0.990 670 T CA -0.524 61.636 62.100 0.101 0.000 1.028 670 T CB 1.011 70.052 68.868 0.287 0.000 0.951 670 T HN 0.376 nan 8.240 nan 0.000 0.460 671 K N 1.362 121.720 120.400 -0.069 0.000 2.443 671 K HA 0.724 5.036 4.320 -0.013 0.000 0.252 671 K C -0.250 176.126 176.600 -0.373 0.000 0.933 671 K CA -0.752 55.429 56.287 -0.178 0.000 0.792 671 K CB 2.250 34.735 32.500 -0.026 0.000 1.185 671 K HN 0.850 nan 8.250 nan 0.000 0.425 672 G N 1.441 109.732 108.800 -0.849 0.000 2.441 672 G HA2 0.458 4.411 3.960 -0.013 0.000 0.294 672 G HA3 0.458 4.411 3.960 -0.013 0.000 0.294 672 G C -2.241 171.961 174.900 -1.163 0.000 1.393 672 G CA -0.734 43.792 45.100 -0.957 0.000 0.796 672 G HN 0.501 nan 8.290 nan 0.000 0.494 673 Y N -1.810 118.266 120.300 -0.375 0.000 2.625 673 Y HA 0.898 5.440 4.550 -0.013 0.000 0.338 673 Y C -0.805 175.255 175.900 0.267 0.000 1.123 673 Y CA -1.453 56.645 58.100 -0.003 0.000 1.046 673 Y CB 1.968 40.549 38.460 0.202 0.000 1.299 673 Y HN 0.750 nan 8.280 nan 0.000 0.464 674 E N 0.770 121.317 120.200 0.577 0.000 2.352 674 E HA 0.769 5.111 4.350 -0.013 0.000 0.280 674 E C -1.978 174.849 176.600 0.378 0.000 0.930 674 E CA -1.022 55.636 56.400 0.430 0.000 0.765 674 E CB 2.274 32.175 29.700 0.336 0.000 1.219 674 E HN 1.087 nan 8.360 nan 0.000 0.434 675 A N 3.549 126.572 122.820 0.337 0.000 2.398 675 A HA 0.694 5.006 4.320 -0.013 0.000 0.301 675 A C -1.151 176.556 177.584 0.206 0.000 1.041 675 A CA -0.634 51.560 52.037 0.262 0.000 0.711 675 A CB 1.240 20.393 19.000 0.255 0.000 1.240 675 A HN 0.602 nan 8.150 nan 0.000 0.420 676 E N 1.312 121.610 120.200 0.163 0.000 2.446 676 E HA 0.788 5.130 4.350 -0.013 0.000 0.276 676 E C -1.435 175.231 176.600 0.110 0.000 0.969 676 E CA -0.781 55.694 56.400 0.125 0.000 0.800 676 E CB 2.358 32.117 29.700 0.099 0.000 1.341 676 E HN 0.596 nan 8.360 nan 0.000 0.460 677 I N 0.812 121.434 120.570 0.086 0.000 2.722 677 I HA 0.395 4.557 4.170 -0.013 0.000 0.292 677 I C -1.892 174.262 176.117 0.062 0.000 1.267 677 I CA -0.229 61.113 61.300 0.070 0.000 1.036 677 I CB 1.957 39.977 38.000 0.032 0.000 1.281 677 I HN 0.814 nan 8.210 nan 0.000 0.423 678 S N 4.704 120.443 115.700 0.065 0.000 2.533 678 S HA 1.006 5.468 4.470 -0.013 0.000 0.271 678 S C -0.343 174.295 174.600 0.063 0.000 1.143 678 S CA -0.075 58.175 58.200 0.083 0.000 0.891 678 S CB 1.700 64.961 63.200 0.101 0.000 1.105 678 S HN 1.644 nan 8.310 nan 0.000 0.468 679 G N 1.388 110.220 108.800 0.054 0.000 2.341 679 G HA2 0.028 3.980 3.960 -0.013 0.000 0.196 679 G HA3 0.028 3.980 3.960 -0.013 0.000 0.196 679 G C -1.170 173.685 174.900 -0.075 0.000 1.231 679 G CA -0.414 44.691 45.100 0.008 0.000 1.155 679 G HN 1.004 nan 8.290 nan 0.000 0.529 680 E N 0.533 120.697 120.200 -0.059 0.000 2.152 680 E HA 0.513 4.855 4.350 -0.013 0.000 0.285 680 E C 1.239 177.761 176.600 -0.131 0.000 1.043 680 E CA -0.481 55.877 56.400 -0.069 0.000 0.839 680 E CB 0.580 30.275 29.700 -0.009 0.000 1.069 680 E HN 0.411 nan 8.360 nan 0.000 0.399 681 L N 3.166 124.243 121.223 -0.245 0.000 2.127 681 L HA 0.194 4.526 4.340 -0.013 0.000 0.203 681 L C 0.834 177.658 176.870 -0.075 0.000 1.080 681 L CA 0.671 55.300 54.840 -0.352 0.000 0.768 681 L CB 0.052 41.525 42.059 -0.976 0.000 0.924 681 L HN 0.509 nan 8.230 nan 0.000 0.444 682 A N -2.158 120.744 122.820 0.137 0.000 2.593 682 A HA 0.526 4.838 4.320 -0.013 0.000 0.290 682 A C -2.222 175.485 177.584 0.206 0.000 1.126 682 A CA -1.086 51.074 52.037 0.204 0.000 0.695 682 A CB 0.531 19.720 19.000 0.316 0.000 1.290 682 A HN -0.209 nan 8.150 nan 0.000 0.414 683 P HA -0.251 nan 4.420 nan 0.000 0.211 683 P C 1.503 178.885 177.300 0.137 0.000 1.038 683 P CA 2.912 66.083 63.100 0.118 0.000 0.988 683 P CB 0.014 31.772 31.700 0.096 0.000 0.758 684 G N -3.654 105.256 108.800 0.182 0.000 2.708 684 G HA2 -0.130 3.823 3.960 -0.013 0.000 0.210 684 G HA3 -0.130 3.823 3.960 -0.013 0.000 0.210 684 G C -0.397 174.646 174.900 0.237 0.000 1.141 684 G CA -0.143 44.999 45.100 0.070 0.000 0.788 684 G HN 0.209 nan 8.290 nan 0.000 0.531 685 W N 1.337 122.696 121.300 0.098 0.000 2.411 685 W HA 0.581 5.233 4.660 -0.013 0.000 0.317 685 W C -0.799 175.694 176.519 -0.043 0.000 1.030 685 W CA -1.659 55.747 57.345 0.102 0.000 1.239 685 W CB 1.066 30.562 29.460 0.060 0.000 1.304 685 W HN -0.144 nan 8.180 nan 0.000 0.437 686 Q N 4.082 123.938 119.800 0.094 0.000 2.306 686 Q HA 0.678 5.010 4.340 -0.013 0.000 0.265 686 Q C -0.494 175.388 176.000 -0.196 0.000 1.022 686 Q CA -0.741 54.899 55.803 -0.273 0.000 0.853 686 Q CB 2.580 30.828 28.738 -0.816 0.000 1.327 686 Q HN 0.410 nan 8.270 nan 0.000 0.449 687 V N -1.102 118.734 119.914 -0.130 0.000 3.114 687 V HA 0.689 4.801 4.120 -0.013 0.000 0.308 687 V C -0.984 175.260 176.094 0.251 0.000 1.168 687 V CA -0.999 61.357 62.300 0.094 0.000 1.015 687 V CB 2.311 34.089 31.823 -0.075 0.000 1.050 687 V HN 0.763 nan 8.190 nan 0.000 0.433 688 Q N 0.854 120.832 119.800 0.296 0.000 2.315 688 Q HA 0.841 5.173 4.340 -0.013 0.000 0.273 688 Q C -1.219 174.861 176.000 0.135 0.000 1.053 688 Q CA -0.369 55.547 55.803 0.188 0.000 0.817 688 Q CB 2.354 31.200 28.738 0.179 0.000 1.326 688 Q HN 1.669 nan 8.270 nan 0.000 0.423 689 A N 1.699 124.574 122.820 0.092 0.000 2.605 689 A HA 0.899 5.211 4.320 -0.013 0.000 0.294 689 A C -1.230 176.405 177.584 0.085 0.000 1.062 689 A CA 0.024 52.105 52.037 0.074 0.000 0.682 689 A CB 1.784 20.814 19.000 0.051 0.000 1.278 689 A HN 0.825 nan 8.150 nan 0.000 0.410 690 G N -0.877 107.981 108.800 0.096 0.000 2.692 690 G HA2 0.641 4.593 3.960 -0.013 0.000 0.291 690 G HA3 0.641 4.593 3.960 -0.013 0.000 0.291 690 G C -2.120 172.889 174.900 0.181 0.000 1.423 690 G CA -0.446 44.728 45.100 0.122 0.000 0.843 690 G HN 1.587 nan 8.290 nan 0.000 0.486 691 Y N 0.331 120.685 120.300 0.090 0.000 2.433 691 Y HA 0.660 5.202 4.550 -0.013 0.000 0.337 691 Y C -0.732 175.245 175.900 0.129 0.000 1.026 691 Y CA -0.514 57.650 58.100 0.107 0.000 1.037 691 Y CB 2.412 40.949 38.460 0.129 0.000 1.245 691 Y HN 0.592 nan 8.280 nan 0.000 0.443 692 T N 5.166 119.435 114.554 -0.474 0.000 2.841 692 T HA 0.239 4.581 4.350 -0.013 0.000 0.285 692 T C -1.788 172.657 174.700 -0.425 0.000 0.991 692 T CA -0.529 61.425 62.100 -0.243 0.000 0.966 692 T CB 0.668 69.439 68.868 -0.161 0.000 0.962 692 T HN 0.661 nan 8.240 nan 0.000 0.438 693 H N 2.488 121.280 119.070 -0.464 0.000 2.492 693 H HA 0.714 5.262 4.556 -0.013 0.000 0.345 693 H C -0.520 174.580 175.328 -0.380 0.000 1.136 693 H CA -0.647 55.087 56.048 -0.523 0.000 1.202 693 H CB 0.931 30.195 29.762 -0.831 0.000 1.524 693 H HN 0.641 nan 8.280 nan 0.000 0.506 694 K N 4.099 123.888 120.400 -1.018 0.000 2.523 694 K HA 0.554 4.866 4.320 -0.013 0.000 0.257 694 K C -2.052 174.183 176.600 -0.607 0.000 0.932 694 K CA -0.670 55.221 56.287 -0.659 0.000 0.812 694 K CB 1.440 33.767 32.500 -0.289 0.000 1.326 694 K HN 0.526 nan 8.250 nan 0.000 0.433 695 I N 3.565 123.913 120.570 -0.371 0.000 2.534 695 I HA 0.445 4.607 4.170 -0.013 0.000 0.288 695 I C -1.274 174.761 176.117 -0.137 0.000 1.077 695 I CA -0.995 60.182 61.300 -0.206 0.000 1.051 695 I CB 2.060 40.000 38.000 -0.101 0.000 1.234 695 I HN 0.774 nan 8.210 nan 0.000 0.425 696 I N 6.603 127.089 120.570 -0.139 0.000 2.436 696 I HA 0.562 4.724 4.170 -0.013 0.000 0.289 696 I C -0.942 175.116 176.117 -0.099 0.000 1.010 696 I CA -0.261 60.970 61.300 -0.115 0.000 1.098 696 I CB 0.785 38.676 38.000 -0.181 0.000 1.266 696 I HN 0.591 nan 8.210 nan 0.000 0.434 697 R N 4.795 125.255 120.500 -0.066 0.000 2.750 697 R HA 0.504 4.836 4.340 -0.013 0.000 0.281 697 R C -1.317 174.958 176.300 -0.042 0.000 0.972 697 R CA -0.924 55.148 56.100 -0.047 0.000 0.912 697 R CB 1.628 31.913 30.300 -0.026 0.000 1.187 697 R HN 0.644 nan 8.270 nan 0.000 0.464 698 D N -0.263 120.117 120.400 -0.034 0.000 2.539 698 D HA 0.085 4.718 4.640 -0.013 0.000 0.276 698 D C 0.099 176.390 176.300 -0.015 0.000 1.206 698 D CA -0.524 53.462 54.000 -0.023 0.000 1.081 698 D CB 0.427 41.214 40.800 -0.022 0.000 1.142 698 D HN 0.301 nan 8.370 nan 0.000 0.595 699 D N -1.163 119.231 120.400 -0.009 0.000 2.219 699 D HA -0.128 4.504 4.640 -0.013 0.000 0.205 699 D C 1.921 178.217 176.300 -0.008 0.000 0.970 699 D CA 1.495 55.492 54.000 -0.006 0.000 0.851 699 D CB -0.394 40.406 40.800 -0.001 0.000 0.943 699 D HN 0.452 nan 8.370 nan 0.000 0.488 700 S N -0.661 115.033 115.700 -0.010 0.000 2.465 700 S HA -0.038 4.424 4.470 -0.013 0.000 0.241 700 S C 1.905 176.498 174.600 -0.011 0.000 1.000 700 S CA 1.377 59.569 58.200 -0.013 0.000 0.964 700 S CB -0.256 62.933 63.200 -0.018 0.000 0.763 700 S HN 0.344 nan 8.310 nan 0.000 0.512 701 G N 1.523 110.318 108.800 -0.010 0.000 2.199 701 G HA2 -0.331 3.621 3.960 -0.013 0.000 0.254 701 G HA3 -0.331 3.621 3.960 -0.013 0.000 0.254 701 G C 0.031 174.930 174.900 -0.002 0.000 0.982 701 G CA 0.384 45.479 45.100 -0.007 0.000 0.632 701 G HN 0.999 nan 8.290 nan 0.000 0.529 702 K N 0.810 121.208 120.400 -0.003 0.000 2.168 702 K HA 0.623 4.935 4.320 -0.013 0.000 0.258 702 K C 0.252 176.859 176.600 0.012 0.000 1.010 702 K CA -0.569 55.724 56.287 0.010 0.000 0.929 702 K CB 1.170 33.672 32.500 0.002 0.000 0.998 702 K HN 0.158 nan 8.250 nan 0.000 0.479 703 K N 0.660 121.087 120.400 0.045 0.000 2.168 703 K HA 0.300 4.612 4.320 -0.013 0.000 0.258 703 K C -0.645 175.945 176.600 -0.017 0.000 1.010 703 K CA -0.595 55.706 56.287 0.024 0.000 0.929 703 K CB 1.407 33.971 32.500 0.106 0.000 0.998 703 K HN 0.359 nan 8.250 nan 0.000 0.479 704 V N 0.222 120.081 119.914 -0.091 0.000 3.206 704 V HA 0.104 4.216 4.120 -0.013 0.000 0.305 704 V C -0.658 175.317 176.094 -0.200 0.000 1.257 704 V CA -0.594 61.638 62.300 -0.114 0.000 1.057 704 V CB 2.199 33.961 31.823 -0.102 0.000 1.075 704 V HN 0.931 nan 8.190 nan 0.000 0.443 705 S N 0.825 116.418 115.700 -0.179 0.000 3.521 705 S HA -0.194 4.268 4.470 -0.013 0.000 0.362 705 S C 1.228 175.603 174.600 -0.375 0.000 1.044 705 S CA 1.300 59.356 58.200 -0.240 0.000 1.091 705 S CB -1.144 61.851 63.200 -0.341 0.000 0.908 705 S HN 1.380 nan 8.310 nan 0.000 0.473 706 T N -2.703 111.621 114.554 -0.382 0.000 3.163 706 T HA -0.042 4.300 4.350 -0.013 0.000 0.260 706 T C 1.005 175.274 174.700 -0.718 0.000 1.156 706 T CA 0.558 62.204 62.100 -0.755 0.000 1.072 706 T CB -0.312 67.916 68.868 -1.067 0.000 0.937 706 T HN 0.761 nan 8.240 nan 0.000 0.528 707 W N 1.447 122.415 121.300 -0.552 0.000 2.863 707 W HA 0.296 4.948 4.660 -0.013 0.000 0.258 707 W C 0.445 176.693 176.519 -0.452 0.000 1.298 707 W CA -0.310 56.806 57.345 -0.382 0.000 1.451 707 W CB 0.211 29.580 29.460 -0.151 0.000 1.107 707 W HN 0.327 nan 8.180 nan 0.000 0.641 708 E N 2.393 122.143 120.200 -0.749 0.000 2.289 708 E HA 0.152 4.494 4.350 -0.013 0.000 0.278 708 E C -2.295 173.917 176.600 -0.648 0.000 1.032 708 E CA -2.056 53.835 56.400 -0.849 0.000 0.854 708 E CB 1.274 30.338 29.700 -1.061 0.000 1.046 708 E HN -0.177 nan 8.360 nan 0.000 0.409 709 P HA 0.053 nan 4.420 nan 0.000 0.274 709 P C -0.130 176.929 177.300 -0.401 0.000 1.237 709 P CA -0.082 62.727 63.100 -0.485 0.000 0.793 709 P CB 0.616 32.003 31.700 -0.522 0.000 0.977 710 Q N -0.115 119.511 119.800 -0.290 0.000 2.311 710 Q HA -0.021 4.311 4.340 -0.013 0.000 0.203 710 Q C -0.445 175.427 176.000 -0.212 0.000 0.954 710 Q CA 1.225 56.881 55.803 -0.246 0.000 0.885 710 Q CB -0.054 28.637 28.738 -0.079 0.000 0.963 710 Q HN 0.588 nan 8.270 nan 0.000 0.471 711 D N 0.211 120.492 120.400 -0.197 0.000 2.879 711 D HA 0.217 4.849 4.640 -0.013 0.000 0.236 711 D C -1.013 175.070 176.300 -0.362 0.000 1.171 711 D CA -0.472 53.426 54.000 -0.170 0.000 0.868 711 D CB 1.393 42.301 40.800 0.179 0.000 1.598 711 D HN -0.002 nan 8.370 nan 0.000 0.497 712 Q N 0.998 120.531 119.800 -0.444 0.000 2.482 712 Q HA 0.746 5.078 4.340 -0.013 0.000 0.286 712 Q C -1.970 173.848 176.000 -0.304 0.000 1.007 712 Q CA -1.261 54.316 55.803 -0.377 0.000 0.801 712 Q CB 2.219 30.727 28.738 -0.384 0.000 1.455 712 Q HN 0.377 nan 8.270 nan 0.000 0.398 713 L N 0.295 121.479 121.223 -0.065 0.000 2.445 713 L HA 0.793 5.125 4.340 -0.013 0.000 0.262 713 L C -1.680 175.193 176.870 0.006 0.000 0.974 713 L CA -0.056 54.835 54.840 0.085 0.000 0.822 713 L CB 2.704 44.909 42.059 0.243 0.000 1.339 713 L HN 0.792 nan 8.230 nan 0.000 0.409 714 S N 4.419 120.132 115.700 0.021 0.000 2.541 714 S HA 0.858 5.320 4.470 -0.013 0.000 0.280 714 S C -1.489 173.077 174.600 -0.056 0.000 1.112 714 S CA -0.485 57.694 58.200 -0.036 0.000 0.925 714 S CB 1.741 64.959 63.200 0.030 0.000 1.067 714 S HN 0.750 nan 8.310 nan 0.000 0.479 715 L N 3.565 124.625 121.223 -0.271 0.000 2.596 715 L HA 0.539 4.871 4.340 -0.013 0.000 0.265 715 L C -2.233 174.345 176.870 -0.487 0.000 0.962 715 L CA -0.407 54.308 54.840 -0.209 0.000 0.891 715 L CB 0.878 42.894 42.059 -0.072 0.000 1.248 715 L HN 0.706 nan 8.230 nan 0.000 0.410 716 Y N 2.735 123.012 120.300 -0.037 0.000 2.376 716 Y HA 0.709 5.251 4.550 -0.013 0.000 0.340 716 Y C 0.243 176.277 175.900 0.223 0.000 0.965 716 Y CA -0.496 57.551 58.100 -0.088 0.000 1.078 716 Y CB 2.512 40.671 38.460 -0.501 0.000 1.193 716 Y HN 0.420 nan 8.280 nan 0.000 0.452 717 T N 2.105 116.998 114.554 0.564 0.000 2.900 717 T HA 0.748 5.090 4.350 -0.013 0.000 0.303 717 T C -1.160 173.949 174.700 0.681 0.000 1.142 717 T CA -0.631 61.817 62.100 0.580 0.000 1.007 717 T CB 0.992 70.120 68.868 0.433 0.000 1.156 717 T HN 0.699 nan 8.240 nan 0.000 0.490 718 S N 2.041 118.052 115.700 0.518 0.000 2.618 718 S HA 0.787 5.249 4.470 -0.013 0.000 0.277 718 S C -1.977 172.821 174.600 0.330 0.000 1.138 718 S CA -0.811 57.601 58.200 0.352 0.000 0.844 718 S CB 1.894 65.238 63.200 0.240 0.000 1.127 718 S HN 0.740 nan 8.310 nan 0.000 0.474 719 Y N 0.791 121.076 120.300 -0.024 0.000 2.386 719 Y HA 0.662 5.204 4.550 -0.013 0.000 0.334 719 Y C -1.200 174.526 175.900 -0.289 0.000 1.002 719 Y CA -1.007 56.962 58.100 -0.218 0.000 1.068 719 Y CB 1.661 39.816 38.460 -0.509 0.000 1.203 719 Y HN 0.763 nan 8.280 nan 0.000 0.443 720 K N 6.831 126.693 120.400 -0.896 0.000 2.316 720 K HA 0.300 4.612 4.320 -0.013 0.000 0.267 720 K C -1.099 174.938 176.600 -0.939 0.000 1.025 720 K CA -0.416 55.490 56.287 -0.634 0.000 0.896 720 K CB -0.029 32.278 32.500 -0.322 0.000 1.124 720 K HN 0.607 nan 8.250 nan 0.000 0.451 721 F N 1.828 121.410 119.950 -0.613 0.000 2.535 721 F HA 0.087 4.606 4.527 -0.013 0.000 0.332 721 F C 1.199 176.852 175.800 -0.246 0.000 1.208 721 F CA 0.449 58.188 58.000 -0.435 0.000 1.330 721 F CB 0.407 39.302 39.000 -0.175 0.000 1.167 721 F HN 0.294 nan 8.300 nan 0.000 0.597 722 K N 0.173 120.626 120.400 0.090 0.000 2.352 722 K HA 0.689 5.001 4.320 -0.013 0.000 0.240 722 K C 0.272 176.912 176.600 0.068 0.000 1.017 722 K CA 0.143 56.458 56.287 0.047 0.000 0.851 722 K CB 1.443 33.959 32.500 0.027 0.000 1.261 722 K HN 0.715 nan 8.250 nan 0.000 0.451 723 G N 1.102 109.923 108.800 0.035 0.000 2.574 723 G HA2 -0.352 3.600 3.960 -0.013 0.000 0.286 723 G HA3 -0.352 3.600 3.960 -0.013 0.000 0.286 723 G C 0.982 175.893 174.900 0.018 0.000 1.212 723 G CA 1.117 46.233 45.100 0.027 0.000 0.979 723 G HN 1.055 nan 8.290 nan 0.000 0.557 724 A N -0.889 121.938 122.820 0.011 0.000 1.954 724 A HA -0.034 4.278 4.320 -0.013 0.000 0.222 724 A C 2.319 179.900 177.584 -0.004 0.000 1.199 724 A CA 2.549 54.586 52.037 -0.001 0.000 0.657 724 A CB -0.400 18.592 19.000 -0.013 0.000 0.823 724 A HN 1.168 nan 8.150 nan 0.000 0.463 725 L N 0.144 121.356 121.223 -0.019 0.000 2.791 725 L HA 0.077 4.409 4.340 -0.013 0.000 0.239 725 L C 0.892 177.780 176.870 0.030 0.000 1.203 725 L CA 0.444 55.262 54.840 -0.036 0.000 1.002 725 L CB -0.093 41.808 42.059 -0.263 0.000 1.295 725 L HN 0.540 nan 8.230 nan 0.000 0.504 726 D N -0.674 119.733 120.400 0.012 0.000 2.392 726 D HA -0.182 4.450 4.640 -0.013 0.000 0.228 726 D C 1.376 177.625 176.300 -0.085 0.000 1.003 726 D CA 0.843 54.836 54.000 -0.012 0.000 0.917 726 D CB 0.131 40.919 40.800 -0.021 0.000 0.890 726 D HN 0.150 nan 8.370 nan 0.000 0.532 727 K N -0.831 119.470 120.400 -0.166 0.000 2.358 727 K HA 0.226 4.538 4.320 -0.013 0.000 0.197 727 K C -0.134 176.209 176.600 -0.429 0.000 1.025 727 K CA -0.347 55.705 56.287 -0.391 0.000 1.104 727 K CB 0.550 32.652 32.500 -0.664 0.000 0.855 727 K HN 0.133 nan 8.250 nan 0.000 0.531 728 L N 1.336 122.494 121.223 -0.108 0.000 2.276 728 L HA 0.270 4.602 4.340 -0.013 0.000 0.286 728 L C -0.880 176.081 176.870 0.152 0.000 1.024 728 L CA -0.018 54.887 54.840 0.108 0.000 0.826 728 L CB 1.441 43.656 42.059 0.260 0.000 1.211 728 L HN -0.125 nan 8.230 nan 0.000 0.422 729 T N 4.184 118.774 114.554 0.060 0.000 2.837 729 T HA 0.577 4.919 4.350 -0.013 0.000 0.285 729 T C -0.364 174.382 174.700 0.077 0.000 0.984 729 T CA -0.378 61.730 62.100 0.013 0.000 1.049 729 T CB 1.570 70.414 68.868 -0.041 0.000 0.947 729 T HN 0.359 nan 8.240 nan 0.000 0.472 730 V N 2.018 121.978 119.914 0.078 0.000 2.680 730 V HA 0.914 5.026 4.120 -0.013 0.000 0.309 730 V C 0.470 176.628 176.094 0.107 0.000 1.052 730 V CA -0.345 62.029 62.300 0.124 0.000 0.908 730 V CB 2.001 33.965 31.823 0.235 0.000 1.001 730 V HN 1.115 nan 8.190 nan 0.000 0.431 731 G N 1.650 110.516 108.800 0.111 0.000 2.687 731 G HA2 0.853 4.805 3.960 -0.013 0.000 0.291 731 G HA3 0.853 4.805 3.960 -0.013 0.000 0.291 731 G C -0.697 174.369 174.900 0.277 0.000 1.420 731 G CA -0.124 45.104 45.100 0.213 0.000 0.796 731 G HN 1.206 nan 8.290 nan 0.000 0.485 732 G N -2.181 106.891 108.800 0.452 0.000 2.506 732 G HA2 0.836 4.788 3.960 -0.013 0.000 0.292 732 G HA3 0.836 4.788 3.960 -0.013 0.000 0.292 732 G C -0.579 174.589 174.900 0.448 0.000 1.425 732 G CA 0.476 45.836 45.100 0.432 0.000 0.788 732 G HN 1.691 nan 8.290 nan 0.000 0.490 733 G N -1.741 107.225 108.800 0.277 0.000 2.687 733 G HA2 1.006 4.958 3.960 -0.013 0.000 0.291 733 G HA3 1.006 4.958 3.960 -0.013 0.000 0.291 733 G C -1.238 173.505 174.900 -0.261 0.000 1.420 733 G CA 0.216 45.201 45.100 -0.192 0.000 0.796 733 G HN 2.001 nan 8.290 nan 0.000 0.485 734 A N -0.298 122.168 122.820 -0.590 0.000 2.540 734 A HA 0.822 5.134 4.320 -0.013 0.000 0.297 734 A C -1.095 176.373 177.584 -0.193 0.000 1.056 734 A CA -0.666 51.291 52.037 -0.134 0.000 0.700 734 A CB 2.231 21.297 19.000 0.109 0.000 1.280 734 A HN 1.215 nan 8.150 nan 0.000 0.398 735 R N 1.289 121.806 120.500 0.028 0.000 2.476 735 R HA 0.648 4.980 4.340 -0.013 0.000 0.305 735 R C -2.033 174.214 176.300 -0.087 0.000 0.965 735 R CA -0.655 55.414 56.100 -0.052 0.000 0.867 735 R CB 0.754 31.031 30.300 -0.039 0.000 1.176 735 R HN 0.930 nan 8.270 nan 0.000 0.447 736 W N 5.760 126.769 121.300 -0.485 0.000 2.785 736 W HA 0.513 5.165 4.660 -0.013 0.000 0.333 736 W C -1.327 174.743 176.519 -0.748 0.000 1.062 736 W CA -0.323 56.456 57.345 -0.943 0.000 1.233 736 W CB 1.643 30.020 29.460 -1.805 0.000 1.413 736 W HN 0.773 nan 8.180 nan 0.000 0.489 737 Q N 4.122 122.664 119.800 -2.097 0.000 2.462 737 Q HA 0.772 5.104 4.340 -0.013 0.000 0.285 737 Q C -0.283 174.341 176.000 -2.293 0.000 1.035 737 Q CA -1.207 53.417 55.803 -1.965 0.000 0.799 737 Q CB 1.780 29.843 28.738 -1.125 0.000 1.452 737 Q HN 0.633 nan 8.270 nan 0.000 0.404 738 G N 0.989 108.867 108.800 -1.535 0.000 2.588 738 G HA2 0.368 4.320 3.960 -0.013 0.000 0.281 738 G HA3 0.368 4.320 3.960 -0.013 0.000 0.281 738 G C -0.755 173.908 174.900 -0.395 0.000 1.236 738 G CA -0.863 43.776 45.100 -0.770 0.000 0.969 738 G HN 0.462 nan 8.290 nan 0.000 0.504 739 K N -0.211 120.124 120.400 -0.108 0.000 2.578 739 K HA 0.196 4.508 4.320 -0.013 0.000 0.279 739 K C 0.117 176.743 176.600 0.044 0.000 0.983 739 K CA 0.777 57.097 56.287 0.055 0.000 1.078 739 K CB 0.232 32.835 32.500 0.171 0.000 0.852 739 K HN 0.526 nan 8.250 nan 0.000 0.490 740 S N 1.248 116.990 115.700 0.069 0.000 2.548 740 S HA 0.767 5.229 4.470 -0.013 0.000 0.276 740 S C -1.405 173.362 174.600 0.279 0.000 1.129 740 S CA -1.321 56.817 58.200 -0.104 0.000 0.931 740 S CB 0.806 63.598 63.200 -0.681 0.000 1.068 740 S HN 0.729 nan 8.310 nan 0.000 0.480 741 W N 0.583 121.992 121.300 0.183 0.000 3.047 741 W HA 0.816 5.468 4.660 -0.013 0.000 0.341 741 W C -1.675 175.114 176.519 0.451 0.000 1.225 741 W CA -0.761 56.808 57.345 0.373 0.000 1.150 741 W CB 0.924 30.512 29.460 0.214 0.000 1.470 741 W HN 0.542 nan 8.180 nan 0.000 0.578 742 Q N 1.846 122.005 119.800 0.598 0.000 2.359 742 Q HA 0.366 4.699 4.340 -0.013 0.000 0.274 742 Q C -0.914 175.373 176.000 0.478 0.000 1.074 742 Q CA -1.173 54.855 55.803 0.375 0.000 0.810 742 Q CB 2.587 31.393 28.738 0.115 0.000 1.342 742 Q HN 0.504 nan 8.270 nan 0.000 0.427 743 M N 2.449 122.302 119.600 0.421 0.000 2.108 743 M HA 0.257 4.729 4.480 -0.013 0.000 0.347 743 M C -0.134 176.525 176.300 0.599 0.000 1.326 743 M CA -0.426 55.183 55.300 0.515 0.000 1.126 743 M CB 0.047 32.857 32.600 0.350 0.000 1.606 743 M HN 0.419 nan 8.290 nan 0.000 0.462 744 V N 4.753 124.998 119.914 0.552 0.000 2.715 744 V HA 0.530 4.642 4.120 -0.013 0.000 0.310 744 V C -1.575 174.623 176.094 0.174 0.000 1.054 744 V CA -0.816 61.683 62.300 0.332 0.000 0.928 744 V CB 2.140 33.980 31.823 0.028 0.000 1.007 744 V HN 0.719 nan 8.190 nan 0.000 0.437 745 Y N 5.358 125.374 120.300 -0.473 0.000 2.404 745 Y HA 0.430 4.972 4.550 -0.014 0.000 0.344 745 Y C 0.567 176.186 175.900 -0.468 0.000 0.995 745 Y CA -0.225 57.328 58.100 -0.912 0.000 1.201 745 Y CB 0.664 38.300 38.460 -1.374 0.000 1.151 745 Y HN 0.913 nan 8.280 nan 0.000 0.517 746 N N 5.108 123.230 118.700 -0.963 0.000 2.399 746 N HA -0.082 4.650 4.740 -0.013 0.000 0.259 746 N C 0.568 175.412 175.510 -1.110 0.000 1.160 746 N CA 0.309 52.588 53.050 -1.285 0.000 0.946 746 N CB 0.234 37.840 38.487 -1.468 0.000 1.156 746 N HN 0.954 nan 8.380 nan 0.000 0.489 747 N N 5.359 123.670 118.700 -0.648 0.000 2.171 747 N HA 0.062 4.794 4.740 -0.013 0.000 0.184 747 N C -1.217 174.102 175.510 -0.318 0.000 1.021 747 N CA 0.958 53.814 53.050 -0.325 0.000 0.854 747 N CB -0.427 38.025 38.487 -0.057 0.000 0.994 747 N HN 0.397 nan 8.380 nan 0.000 0.426 748 P HA -0.047 nan 4.420 nan 0.000 0.220 748 P C 0.618 177.750 177.300 -0.281 0.000 1.148 748 P CA 1.283 64.213 63.100 -0.283 0.000 0.803 748 P CB 0.110 31.643 31.700 -0.278 0.000 0.782 749 R N -2.155 118.115 120.500 -0.384 0.000 2.365 749 R HA 0.266 4.598 4.340 -0.013 0.000 0.223 749 R C 0.295 176.394 176.300 -0.335 0.000 0.899 749 R CA 0.105 56.011 56.100 -0.323 0.000 1.059 749 R CB 0.009 30.104 30.300 -0.340 0.000 1.086 749 R HN -0.097 nan 8.270 nan 0.000 0.522 750 S N 1.140 116.570 115.700 -0.449 0.000 3.749 750 S HA -0.165 4.297 4.470 -0.013 0.000 0.348 750 S C -0.474 173.886 174.600 -0.400 0.000 1.045 750 S CA 1.135 59.115 58.200 -0.366 0.000 1.051 750 S CB -0.946 62.194 63.200 -0.101 0.000 0.898 750 S HN 0.616 nan 8.310 nan 0.000 0.472 751 R N -1.516 118.519 120.500 -0.775 0.000 2.707 751 R HA 0.601 4.933 4.340 -0.013 0.000 0.272 751 R C -1.136 174.816 176.300 -0.579 0.000 1.011 751 R CA -1.132 54.713 56.100 -0.425 0.000 0.893 751 R CB 0.583 30.747 30.300 -0.226 0.000 1.233 751 R HN 0.148 nan 8.270 nan 0.000 0.464 752 W N 1.403 122.658 121.300 -0.075 0.000 2.251 752 W HA 0.319 4.972 4.660 -0.013 0.000 0.329 752 W C 0.061 176.595 176.519 0.025 0.000 1.234 752 W CA 0.122 57.495 57.345 0.046 0.000 1.228 752 W CB 1.028 30.573 29.460 0.143 0.000 1.135 752 W HN 0.418 nan 8.180 nan 0.000 0.576 753 E N 1.929 122.342 120.200 0.355 0.000 2.272 753 E HA 0.181 4.524 4.350 -0.013 0.000 0.269 753 E C -0.896 175.928 176.600 0.373 0.000 0.877 753 E CA -1.295 55.264 56.400 0.265 0.000 0.755 753 E CB 2.284 32.117 29.700 0.222 0.000 1.192 753 E HN 0.307 nan 8.360 nan 0.000 0.422 754 K N 2.664 123.198 120.400 0.223 0.000 2.218 754 K HA 0.313 4.625 4.320 -0.013 0.000 0.276 754 K C -1.324 175.402 176.600 0.211 0.000 1.022 754 K CA -0.149 56.299 56.287 0.269 0.000 0.946 754 K CB 0.547 33.116 32.500 0.115 0.000 1.000 754 K HN 0.301 nan 8.250 nan 0.000 0.468 755 F N 1.615 121.699 119.950 0.224 0.000 2.493 755 F HA 0.297 4.817 4.527 -0.012 0.000 0.329 755 F C -0.475 175.493 175.800 0.280 0.000 1.126 755 F CA -0.346 57.755 58.000 0.169 0.000 0.937 755 F CB 2.385 41.430 39.000 0.074 0.000 1.146 755 F HN 0.466 nan 8.300 nan 0.000 0.442 756 S N 2.393 118.303 115.700 0.350 0.000 2.482 756 S HA 0.436 4.898 4.470 -0.013 0.000 0.303 756 S C -0.990 173.836 174.600 0.377 0.000 1.091 756 S CA -0.713 57.712 58.200 0.374 0.000 1.057 756 S CB 1.722 65.057 63.200 0.225 0.000 1.031 756 S HN 0.511 nan 8.310 nan 0.000 0.485 757 Q N 2.619 122.658 119.800 0.399 0.000 2.372 757 Q HA 0.268 4.600 4.340 -0.013 0.000 0.259 757 Q C -0.466 175.679 176.000 0.242 0.000 0.993 757 Q CA -0.228 55.782 55.803 0.345 0.000 0.854 757 Q CB 0.550 29.475 28.738 0.312 0.000 1.231 757 Q HN 0.505 nan 8.270 nan 0.000 0.462 758 E N 2.652 122.994 120.200 0.237 0.000 2.404 758 E HA 0.013 4.355 4.350 -0.013 0.000 0.261 758 E C -0.414 176.304 176.600 0.196 0.000 1.074 758 E CA -0.067 56.448 56.400 0.192 0.000 0.917 758 E CB 0.516 30.328 29.700 0.186 0.000 0.965 758 E HN 0.816 nan 8.360 nan 0.000 0.433 759 D N 1.786 122.240 120.400 0.090 0.000 2.548 759 D HA -0.105 4.527 4.640 -0.013 0.000 0.231 759 D C -0.220 176.127 176.300 0.078 0.000 1.142 759 D CA 0.714 54.651 54.000 -0.105 0.000 0.866 759 D CB 0.011 40.822 40.800 0.017 0.000 1.190 759 D HN 0.329 nan 8.370 nan 0.000 0.469 760 Y N -2.279 117.846 120.300 -0.292 0.000 2.625 760 Y HA 0.665 5.207 4.550 -0.013 0.000 0.338 760 Y C -1.588 174.203 175.900 -0.181 0.000 1.123 760 Y CA -1.873 56.177 58.100 -0.083 0.000 1.046 760 Y CB 0.702 39.123 38.460 -0.064 0.000 1.299 760 Y HN 0.318 nan 8.280 nan 0.000 0.464 761 W N 1.898 123.313 121.300 0.192 0.000 2.570 761 W HA 0.779 5.431 4.660 -0.013 0.000 0.337 761 W C -1.216 175.395 176.519 0.154 0.000 1.067 761 W CA -0.772 56.661 57.345 0.146 0.000 1.229 761 W CB 1.749 31.336 29.460 0.212 0.000 1.355 761 W HN 0.399 nan 8.180 nan 0.000 0.555 762 L N 3.077 124.486 121.223 0.309 0.000 2.341 762 L HA 0.639 4.971 4.340 -0.013 0.000 0.278 762 L C -0.682 176.348 176.870 0.267 0.000 1.005 762 L CA -1.219 53.764 54.840 0.239 0.000 0.818 762 L CB 1.397 43.522 42.059 0.109 0.000 1.259 762 L HN 0.037 nan 8.230 nan 0.000 0.418 763 V N 1.856 121.920 119.914 0.251 0.000 2.495 763 V HA 0.445 4.557 4.120 -0.013 0.000 0.298 763 V C -0.807 175.357 176.094 0.117 0.000 1.031 763 V CA -0.657 61.750 62.300 0.178 0.000 0.871 763 V CB 2.164 34.111 31.823 0.207 0.000 0.988 763 V HN 0.614 nan 8.190 nan 0.000 0.432 764 D N 3.997 124.493 120.400 0.160 0.000 2.350 764 D HA 0.733 5.365 4.640 -0.013 0.000 0.245 764 D C -0.676 175.760 176.300 0.226 0.000 1.036 764 D CA -0.171 53.967 54.000 0.230 0.000 0.848 764 D CB 2.438 43.498 40.800 0.434 0.000 1.307 764 D HN 0.284 nan 8.370 nan 0.000 0.469 765 L N 1.442 122.765 121.223 0.167 0.000 2.371 765 L HA 0.635 4.967 4.340 -0.013 0.000 0.262 765 L C -0.652 176.271 176.870 0.089 0.000 1.006 765 L CA -0.779 54.135 54.840 0.124 0.000 0.818 765 L CB 2.481 44.558 42.059 0.029 0.000 1.354 765 L HN 0.166 nan 8.230 nan 0.000 0.415 766 M N 2.374 122.004 119.600 0.050 0.000 2.325 766 M HA 0.704 5.176 4.480 -0.013 0.000 0.285 766 M C -2.279 174.003 176.300 -0.031 0.000 1.119 766 M CA -0.213 55.060 55.300 -0.045 0.000 0.959 766 M CB 2.163 34.664 32.600 -0.164 0.000 1.737 766 M HN 0.714 nan 8.290 nan 0.000 0.486 767 A N 4.575 127.366 122.820 -0.048 0.000 2.449 767 A HA 0.928 5.241 4.320 -0.013 0.000 0.302 767 A C -1.446 176.136 177.584 -0.003 0.000 1.048 767 A CA -0.752 51.288 52.037 0.004 0.000 0.708 767 A CB 2.066 21.084 19.000 0.031 0.000 1.274 767 A HN 0.918 nan 8.150 nan 0.000 0.410 768 R N 0.671 121.192 120.500 0.036 0.000 2.725 768 R HA 0.621 4.953 4.340 -0.013 0.000 0.277 768 R C -2.342 174.033 176.300 0.125 0.000 0.987 768 R CA -0.515 55.615 56.100 0.049 0.000 0.901 768 R CB 1.768 32.062 30.300 -0.010 0.000 1.207 768 R HN 0.800 nan 8.270 nan 0.000 0.463 769 Y N 1.778 122.079 120.300 0.002 0.000 2.373 769 Y HA 0.229 4.771 4.550 -0.013 0.000 0.336 769 Y C -0.852 175.051 175.900 0.006 0.000 0.979 769 Y CA -0.625 57.478 58.100 0.006 0.000 1.080 769 Y CB 2.133 40.598 38.460 0.007 0.000 1.190 769 Y HN 0.541 nan 8.280 nan 0.000 0.446 770 Q N 5.937 125.483 119.800 -0.424 0.000 2.835 770 Q HA 0.315 4.647 4.340 -0.013 0.000 0.235 770 Q C 0.319 176.194 176.000 -0.209 0.000 1.313 770 Q CA 0.293 55.959 55.803 -0.229 0.000 1.053 770 Q CB -0.318 28.294 28.738 -0.210 0.000 1.443 770 Q HN 0.900 nan 8.270 nan 0.000 0.576 771 I N -0.418 120.206 120.570 0.091 0.000 2.399 771 I HA -0.195 3.967 4.170 -0.013 0.000 0.254 771 I C 0.641 176.813 176.117 0.091 0.000 1.146 771 I CA 0.866 62.300 61.300 0.223 0.000 1.412 771 I CB -0.183 37.937 38.000 0.200 0.000 1.076 771 I HN 0.323 nan 8.210 nan 0.000 0.432 772 T N -0.951 113.625 114.554 0.037 0.000 2.889 772 T HA 0.114 4.456 4.350 -0.013 0.000 0.315 772 T C 0.038 174.753 174.700 0.025 0.000 1.291 772 T CA -0.669 61.451 62.100 0.033 0.000 1.028 772 T CB 2.036 70.929 68.868 0.040 0.000 1.235 772 T HN -0.108 nan 8.240 nan 0.000 0.491 773 D N 1.142 121.561 120.400 0.031 0.000 2.276 773 D HA -0.128 4.504 4.640 -0.013 0.000 0.200 773 D C 1.367 177.705 176.300 0.064 0.000 1.004 773 D CA 1.554 55.577 54.000 0.039 0.000 0.898 773 D CB 0.298 41.129 40.800 0.052 0.000 0.906 773 D HN 0.381 nan 8.370 nan 0.000 0.457 774 K N -1.421 119.039 120.400 0.099 0.000 2.517 774 K HA 0.230 4.542 4.320 -0.013 0.000 0.210 774 K C -0.040 176.694 176.600 0.224 0.000 1.166 774 K CA -0.209 56.189 56.287 0.185 0.000 1.030 774 K CB 1.824 34.491 32.500 0.279 0.000 0.974 774 K HN 0.032 nan 8.250 nan 0.000 0.585 775 L N 1.614 122.907 121.223 0.117 0.000 2.438 775 L HA 0.280 4.612 4.340 -0.013 0.000 0.270 775 L C -0.981 175.931 176.870 0.070 0.000 0.972 775 L CA -0.268 54.631 54.840 0.098 0.000 0.831 775 L CB 1.973 44.052 42.059 0.033 0.000 1.273 775 L HN 0.053 nan 8.230 nan 0.000 0.405 776 S N 3.310 119.051 115.700 0.068 0.000 2.599 776 S HA 0.991 5.453 4.470 -0.013 0.000 0.294 776 S C -0.750 173.897 174.600 0.078 0.000 1.094 776 S CA -0.425 57.812 58.200 0.061 0.000 0.931 776 S CB 2.132 65.343 63.200 0.018 0.000 1.093 776 S HN 0.834 nan 8.310 nan 0.000 0.488 777 A N 1.179 124.061 122.820 0.103 0.000 2.401 777 A HA 0.905 5.217 4.320 -0.013 0.000 0.310 777 A C -0.440 177.196 177.584 0.086 0.000 1.075 777 A CA -0.772 51.326 52.037 0.102 0.000 0.746 777 A CB 1.624 20.695 19.000 0.118 0.000 1.277 777 A HN 0.949 nan 8.150 nan 0.000 0.425 778 S N -0.435 115.301 115.700 0.060 0.000 2.546 778 S HA 0.669 5.131 4.470 -0.013 0.000 0.274 778 S C -1.310 173.245 174.600 -0.075 0.000 1.121 778 S CA -0.573 57.624 58.200 -0.005 0.000 0.887 778 S CB 1.778 64.956 63.200 -0.037 0.000 1.094 778 S HN 1.348 nan 8.310 nan 0.000 0.474 779 V N 2.414 122.232 119.914 -0.161 0.000 2.588 779 V HA 0.609 4.721 4.120 -0.013 0.000 0.304 779 V C -1.550 174.377 176.094 -0.278 0.000 1.042 779 V CA -0.614 61.459 62.300 -0.378 0.000 0.877 779 V CB 1.845 33.429 31.823 -0.397 0.000 0.996 779 V HN 0.946 nan 8.190 nan 0.000 0.425 780 N N 3.873 122.378 118.700 -0.325 0.000 2.399 780 N HA 0.663 5.395 4.740 -0.013 0.000 0.280 780 N C -1.262 174.136 175.510 -0.186 0.000 1.008 780 N CA -0.358 52.583 53.050 -0.182 0.000 0.894 780 N CB 2.205 40.621 38.487 -0.118 0.000 1.273 780 N HN 0.496 nan 8.380 nan 0.000 0.486 781 V N 2.522 122.373 119.914 -0.106 0.000 2.435 781 V HA 0.496 4.608 4.120 -0.013 0.000 0.290 781 V C -0.398 175.696 176.094 0.000 0.000 1.030 781 V CA -0.814 61.437 62.300 -0.082 0.000 0.881 781 V CB 1.369 33.137 31.823 -0.092 0.000 0.983 781 V HN 0.641 nan 8.190 nan 0.000 0.445 782 N N 3.458 122.167 118.700 0.014 0.000 2.269 782 N HA 0.344 5.076 4.740 -0.013 0.000 0.304 782 N C -0.072 175.487 175.510 0.081 0.000 1.072 782 N CA -0.556 52.547 53.050 0.088 0.000 0.802 782 N CB 1.421 39.981 38.487 0.122 0.000 1.348 782 N HN 0.722 nan 8.380 nan 0.000 0.484 783 N N 0.896 119.666 118.700 0.116 0.000 2.671 783 N HA -0.152 4.580 4.740 -0.013 0.000 0.261 783 N C 0.657 176.181 175.510 0.023 0.000 1.053 783 N CA 0.168 53.287 53.050 0.114 0.000 0.732 783 N CB -0.904 37.684 38.487 0.167 0.000 0.887 783 N HN 0.384 nan 8.380 nan 0.000 0.546 784 V N 0.321 120.179 119.914 -0.093 0.000 2.278 784 V HA -0.265 3.847 4.120 -0.013 0.000 0.251 784 V C 1.640 177.519 176.094 -0.357 0.000 1.062 784 V CA 2.348 64.461 62.300 -0.312 0.000 1.038 784 V CB -0.523 30.976 31.823 -0.541 0.000 0.646 784 V HN 0.493 nan 8.190 nan 0.000 0.447 785 F N -0.070 119.925 119.950 0.075 0.000 2.701 785 F HA 0.286 4.805 4.527 -0.013 0.000 0.295 785 F C 0.998 176.844 175.800 0.077 0.000 1.165 785 F CA -0.210 57.831 58.000 0.069 0.000 1.399 785 F CB -1.035 38.006 39.000 0.068 0.000 0.996 785 F HN 0.144 nan 8.300 nan 0.000 0.513 786 D N 1.705 122.201 120.400 0.160 0.000 2.706 786 D HA -0.292 4.340 4.640 -0.013 0.000 0.230 786 D C 0.466 176.860 176.300 0.157 0.000 1.184 786 D CA 0.520 54.600 54.000 0.133 0.000 0.628 786 D CB -0.634 40.222 40.800 0.094 0.000 1.019 786 D HN 0.276 nan 8.370 nan 0.000 0.415 787 K N 0.278 120.804 120.400 0.210 0.000 2.489 787 K HA 0.135 4.447 4.320 -0.013 0.000 0.278 787 K C 0.023 176.743 176.600 0.200 0.000 1.000 787 K CA 0.381 56.790 56.287 0.205 0.000 1.012 787 K CB 0.545 33.170 32.500 0.208 0.000 0.903 787 K HN 0.209 nan 8.250 nan 0.000 0.485 788 T N 3.727 118.355 114.554 0.123 0.000 2.767 788 T HA 0.538 4.880 4.350 -0.013 0.000 0.284 788 T C -0.879 173.861 174.700 0.067 0.000 0.973 788 T CA -0.470 61.653 62.100 0.038 0.000 0.996 788 T CB 0.266 69.073 68.868 -0.103 0.000 0.927 788 T HN 0.537 nan 8.240 nan 0.000 0.456 789 Y N 1.252 121.389 120.300 -0.271 0.000 2.744 789 Y HA 0.722 5.264 4.550 -0.012 0.000 0.330 789 Y C -2.100 173.599 175.900 -0.336 0.000 1.263 789 Y CA -2.396 55.462 58.100 -0.404 0.000 1.065 789 Y CB 0.617 38.606 38.460 -0.785 0.000 1.306 789 Y HN 0.551 nan 8.280 nan 0.000 0.459 790 Y N 0.412 120.758 120.300 0.077 0.000 2.330 790 Y HA 0.434 4.976 4.550 -0.014 0.000 0.336 790 Y C 1.162 177.208 175.900 0.243 0.000 1.036 790 Y CA -0.166 57.993 58.100 0.099 0.000 1.125 790 Y CB 2.232 40.826 38.460 0.224 0.000 1.194 790 Y HN 0.785 nan 8.280 nan 0.000 0.469 791 T N -1.992 112.716 114.554 0.256 0.000 3.044 791 T HA 0.127 4.469 4.350 -0.013 0.000 0.250 791 T C 0.080 175.017 174.700 0.394 0.000 1.081 791 T CA 0.115 62.427 62.100 0.352 0.000 1.040 791 T CB -0.245 68.734 68.868 0.186 0.000 0.962 791 T HN 0.544 nan 8.240 nan 0.000 0.506 792 N N 0.408 119.212 118.700 0.173 0.000 2.537 792 N HA 0.387 5.119 4.740 -0.013 0.000 0.281 792 N C -1.905 173.309 175.510 -0.492 0.000 1.097 792 N CA -0.813 52.078 53.050 -0.265 0.000 0.964 792 N CB 1.134 39.508 38.487 -0.189 0.000 1.588 792 N HN 0.232 nan 8.380 nan 0.000 0.511 793 I N 2.867 122.797 120.570 -1.067 0.000 2.468 793 I HA 0.631 4.793 4.170 -0.013 0.000 0.285 793 I C 0.856 176.501 176.117 -0.787 0.000 1.039 793 I CA -0.582 60.200 61.300 -0.863 0.000 1.074 793 I CB 1.613 39.188 38.000 -0.708 0.000 1.228 793 I HN 0.977 nan 8.210 nan 0.000 0.436 794 G N 5.137 113.589 108.800 -0.580 0.000 2.380 794 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.197 794 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.197 794 G C 0.046 174.834 174.900 -0.187 0.000 1.001 794 G CA -0.657 44.210 45.100 -0.389 0.000 0.668 794 G HN 0.472 nan 8.290 nan 0.000 0.483 795 F N 2.976 122.778 119.950 -0.247 0.000 2.518 795 F HA 0.479 4.997 4.527 -0.015 0.000 0.375 795 F C 1.130 176.984 175.800 0.091 0.000 1.097 795 F CA 0.105 58.084 58.000 -0.035 0.000 1.108 795 F CB -0.665 38.376 39.000 0.069 0.000 1.078 795 F HN 0.342 nan 8.300 nan 0.000 0.564 796 Y N 3.455 123.427 120.300 -0.547 0.000 3.225 796 Y HA -0.334 4.209 4.550 -0.010 0.000 0.211 796 Y C 1.078 176.807 175.900 -0.285 0.000 1.223 796 Y CA 0.951 58.787 58.100 -0.439 0.000 1.284 796 Y CB -2.315 35.807 38.460 -0.564 0.000 1.367 796 Y HN 0.775 nan 8.280 nan 0.000 0.566 797 T N -0.970 113.473 114.554 -0.185 0.000 3.886 797 T HA -0.118 4.224 4.350 -0.013 0.000 0.371 797 T C 0.168 174.703 174.700 -0.274 0.000 0.760 797 T CA 0.925 62.895 62.100 -0.216 0.000 1.966 797 T CB -1.431 67.368 68.868 -0.114 0.000 1.793 797 T HN 1.085 nan 8.240 nan 0.000 0.798 798 S N -1.280 114.232 115.700 -0.313 0.000 2.840 798 S HA 0.942 5.404 4.470 -0.013 0.000 0.307 798 S C -1.044 173.225 174.600 -0.552 0.000 1.180 798 S CA -0.428 57.547 58.200 -0.376 0.000 0.846 798 S CB 2.428 65.526 63.200 -0.170 0.000 1.233 798 S HN 1.546 nan 8.310 nan 0.000 0.548 799 A N 0.451 122.827 122.820 -0.741 0.000 2.488 799 A HA 0.787 5.099 4.320 -0.013 0.000 0.295 799 A C -0.698 176.520 177.584 -0.610 0.000 1.045 799 A CA -0.566 50.984 52.037 -0.810 0.000 0.703 799 A CB 1.596 19.873 19.000 -1.205 0.000 1.271 799 A HN 0.779 nan 8.150 nan 0.000 0.400 800 S N 0.640 116.186 115.700 -0.257 0.000 2.501 800 S HA 0.685 5.147 4.470 -0.013 0.000 0.301 800 S C -1.110 173.497 174.600 0.012 0.000 1.096 800 S CA -0.176 57.987 58.200 -0.062 0.000 1.063 800 S CB 0.566 63.765 63.200 -0.002 0.000 1.042 800 S HN 0.480 nan 8.310 nan 0.000 0.494 801 Y N 1.220 121.636 120.300 0.193 0.000 2.301 801 Y HA 0.482 5.024 4.550 -0.014 0.000 0.325 801 Y C 1.215 177.009 175.900 -0.176 0.000 1.203 801 Y CA -0.266 57.829 58.100 -0.009 0.000 1.255 801 Y CB 0.540 39.047 38.460 0.080 0.000 1.232 801 Y HN 0.775 nan 8.280 nan 0.000 0.501 802 G N 1.629 110.140 108.800 -0.482 0.000 2.594 802 G HA2 0.036 3.988 3.960 -0.013 0.000 0.243 802 G HA3 0.036 3.988 3.960 -0.013 0.000 0.243 802 G C -0.613 174.037 174.900 -0.417 0.000 1.229 802 G CA -0.701 43.979 45.100 -0.701 0.000 0.843 802 G HN 0.567 nan 8.290 nan 0.000 0.578 803 D N 1.575 121.908 120.400 -0.110 0.000 2.487 803 D HA 0.140 4.772 4.640 -0.013 0.000 0.243 803 D C -1.652 174.560 176.300 -0.147 0.000 1.154 803 D CA -0.187 53.703 54.000 -0.183 0.000 0.876 803 D CB 1.125 42.033 40.800 0.180 0.000 1.161 803 D HN 0.045 nan 8.370 nan 0.000 0.478 804 P HA 0.056 nan 4.420 nan 0.000 0.274 804 P C 0.132 177.533 177.300 0.168 0.000 1.260 804 P CA -0.529 62.546 63.100 -0.041 0.000 0.793 804 P CB 0.553 32.213 31.700 -0.067 0.000 1.048 805 R N 1.694 122.264 120.500 0.118 0.000 2.500 805 R HA -0.054 4.278 4.340 -0.013 0.000 0.281 805 R C -0.224 176.077 176.300 0.001 0.000 0.953 805 R CA 0.886 57.024 56.100 0.063 0.000 1.108 805 R CB -0.856 29.461 30.300 0.028 0.000 0.901 805 R HN 0.688 nan 8.270 nan 0.000 0.410 806 N N 2.602 121.258 118.700 -0.073 0.000 2.331 806 N HA 0.391 5.123 4.740 -0.013 0.000 0.280 806 N C -1.746 173.647 175.510 -0.195 0.000 1.155 806 N CA -0.905 51.971 53.050 -0.290 0.000 0.822 806 N CB 1.309 39.599 38.487 -0.328 0.000 1.619 806 N HN 0.213 nan 8.380 nan 0.000 0.476 807 L N 0.252 121.334 121.223 -0.235 0.000 2.313 807 L HA 0.763 5.095 4.340 -0.013 0.000 0.268 807 L C -0.494 176.269 176.870 -0.179 0.000 1.010 807 L CA -0.836 53.889 54.840 -0.193 0.000 0.814 807 L CB 1.581 43.558 42.059 -0.137 0.000 1.304 807 L HN 0.789 nan 8.230 nan 0.000 0.441 808 M N 1.354 120.796 119.600 -0.263 0.000 2.271 808 M HA 0.572 5.044 4.480 -0.013 0.000 0.285 808 M C -1.989 174.110 176.300 -0.336 0.000 1.059 808 M CA -0.094 55.103 55.300 -0.171 0.000 0.940 808 M CB 1.421 33.961 32.600 -0.100 0.000 1.636 808 M HN 0.225 nan 8.290 nan 0.000 0.460 809 F N 2.778 122.702 119.950 -0.042 0.000 2.443 809 F HA 0.835 5.354 4.527 -0.014 0.000 0.335 809 F C 0.150 175.949 175.800 -0.002 0.000 1.104 809 F CA -0.150 57.838 58.000 -0.020 0.000 1.013 809 F CB 2.074 41.061 39.000 -0.021 0.000 1.136 809 F HN 0.687 nan 8.300 nan 0.000 0.470 810 S N 0.293 116.085 115.700 0.154 0.000 2.579 810 S HA 0.864 5.326 4.470 -0.013 0.000 0.272 810 S C -0.979 173.685 174.600 0.106 0.000 1.141 810 S CA -0.910 57.358 58.200 0.114 0.000 0.843 810 S CB 1.963 65.198 63.200 0.058 0.000 1.122 810 S HN 0.449 nan 8.310 nan 0.000 0.468 811 T N 0.892 115.508 114.554 0.104 0.000 2.930 811 T HA 0.790 5.132 4.350 -0.013 0.000 0.290 811 T C -0.805 173.952 174.700 0.095 0.000 1.052 811 T CA -0.923 61.236 62.100 0.098 0.000 1.017 811 T CB 1.613 70.545 68.868 0.108 0.000 1.137 811 T HN 0.815 nan 8.240 nan 0.000 0.511 812 R N 0.560 121.116 120.500 0.093 0.000 2.522 812 R HA 0.392 4.724 4.340 -0.013 0.000 0.283 812 R C -2.323 174.067 176.300 0.150 0.000 1.074 812 R CA -0.704 55.442 56.100 0.076 0.000 0.925 812 R CB 1.509 31.788 30.300 -0.035 0.000 1.205 812 R HN 0.727 nan 8.270 nan 0.000 0.436 813 W N 6.100 127.363 121.300 -0.063 0.000 2.391 813 W HA 0.380 5.032 4.660 -0.014 0.000 0.312 813 W C -1.478 174.895 176.519 -0.244 0.000 1.003 813 W CA -1.327 55.963 57.345 -0.092 0.000 1.375 813 W CB 0.851 30.292 29.460 -0.031 0.000 1.253 813 W HN 0.554 nan 8.180 nan 0.000 0.416 814 D N 5.989 126.336 120.400 -0.089 0.000 2.317 814 D HA 0.222 4.854 4.640 -0.013 0.000 0.252 814 D C 0.096 176.168 176.300 -0.381 0.000 1.174 814 D CA 0.272 54.062 54.000 -0.350 0.000 0.866 814 D CB 0.469 41.197 40.800 -0.120 0.000 1.127 814 D HN -0.001 nan 8.370 nan 0.000 0.467 815 F N 0.000 119.757 119.950 -0.321 0.000 2.286 815 F HA 0.000 4.519 4.527 -0.014 0.000 0.279 815 F CA 0.000 57.922 58.000 -0.130 0.000 1.383 815 F CB 0.000 38.940 39.000 -0.101 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574