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 3k8l_1_B DATA FIRST_RESID 44 DATA SEQUENCE WTALTASPDT WDETKRADIS YQLLLYSFAD SDGDGYGDLN GVTQKLDYLN DATA SEQUENCE QLGVKALWLS PIHPCMSYHG YDVTDYTKVN PQLGTESDFD RLVTEAHNRG DATA SEQUENCE IKIYLDYVMN HTGTAHPWFT EASSSSESPY RNYYSFSEDP KTDIAAGKIA DATA SEQUENCE MITQEGAAGY NAAEWFQVSD ETAAVKGLLK FTLDWSNAPS PILVVSTGTK DATA SEQUENCE ADEDNPDTGT DNAKYLYYGE DICKKFYDKG NNIYELTVDF ESTWGLLIRT DATA SEQUENCE SNASFWPSGT KYGASSSSEK LALNKDFKLT NAGNPANIMF DSQQITYFHS DATA SEQUENCE HFCTDWFADL NYGPVDQAGE SPAYQAIADA AKGWIARGVD GLRLDAVKHI DATA SEQUENCE YHSETSEENP RFLKMFYEDM NAYYKQKGHT DDFYMIGEVL SEYDKVAPYY DATA SEQUENCE KGLPALFEFS FWYRLEWGIN NSTGCYFAKD ILSYQQKYAN YRSDYIEATK DATA SEQUENCE LSNHNEDRTS SKLGKSADKC KLAAAVLLTS AGHPYIYYGE ELGLYGTKDN DATA SEQUENCE GDEYVRSPML WGDSYTTNYT DKTDATVSKN VKTVADQQAD THSLLNIYFS DATA SEQUENCE LTRLRNTYPA LAEGNMTKHS VYNESQEKDY KPIAAWYMTK DNEKLLVIHN DATA SEQUENCE FGGTAMQLPL TDKIEKVLFV NGETQQNTXX DSYTLKLGGY ASVVFKLG 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 W HA 0.000 nan 4.660 nan 0.000 0.303 44 W C 0.000 176.495 176.519 -0.040 0.000 1.175 44 W CA 0.000 57.316 57.345 -0.049 0.000 1.226 44 W CB 0.000 29.433 29.460 -0.045 0.000 1.126 45 T N 1.126 115.795 114.554 0.191 0.000 2.908 45 T HA 0.826 5.176 4.350 -0.001 0.000 0.290 45 T C -0.446 174.322 174.700 0.114 0.000 1.034 45 T CA -0.318 61.847 62.100 0.109 0.000 1.010 45 T CB 1.027 69.926 68.868 0.052 0.000 1.068 45 T HN 0.702 nan 8.240 nan 0.000 0.481 46 A N 4.103 126.969 122.820 0.076 0.000 2.354 46 A HA 0.655 4.974 4.320 -0.001 0.000 0.269 46 A C 0.029 177.649 177.584 0.060 0.000 1.109 46 A CA -0.536 51.535 52.037 0.055 0.000 0.800 46 A CB -0.016 19.003 19.000 0.031 0.000 1.045 46 A HN 0.863 nan 8.150 nan 0.000 0.489 47 L N 1.929 123.185 121.223 0.054 0.000 2.349 47 L HA 0.414 4.753 4.340 -0.001 0.000 0.275 47 L C 0.511 177.398 176.870 0.029 0.000 1.115 47 L CA -0.246 54.634 54.840 0.067 0.000 0.820 47 L CB 1.118 43.218 42.059 0.068 0.000 1.135 47 L HN 0.827 nan 8.230 nan 0.000 0.445 48 T N -0.184 114.398 114.554 0.046 0.000 2.864 48 T HA 0.645 4.995 4.350 -0.001 0.000 0.310 48 T C -0.101 174.618 174.700 0.031 0.000 1.040 48 T CA -0.799 61.319 62.100 0.029 0.000 0.977 48 T CB 1.449 70.341 68.868 0.040 0.000 0.976 48 T HN 0.654 nan 8.240 nan 0.000 0.459 49 A N 3.214 126.034 122.820 0.000 0.000 2.488 49 A HA 0.564 4.884 4.320 -0.001 0.000 0.249 49 A C 0.878 178.494 177.584 0.053 0.000 1.083 49 A CA -0.482 51.563 52.037 0.013 0.000 0.768 49 A CB -0.046 18.939 19.000 -0.025 0.000 1.017 49 A HN 1.479 nan 8.150 nan 0.000 0.496 50 S N 2.530 118.278 115.700 0.079 0.000 2.300 50 S HA 0.426 4.896 4.470 -0.001 0.000 0.172 50 S C -2.545 172.137 174.600 0.136 0.000 1.484 50 S CA -0.954 57.304 58.200 0.097 0.000 1.265 50 S CB 0.360 63.611 63.200 0.086 0.000 1.313 50 S HN 0.624 nan 8.310 nan 0.000 0.387 51 P HA 0.364 nan 4.420 nan 0.000 0.274 51 P C -0.582 176.861 177.300 0.238 0.000 1.231 51 P CA -0.080 63.187 63.100 0.278 0.000 0.790 51 P CB 0.569 32.459 31.700 0.317 0.000 0.951 52 D N 0.261 120.817 120.400 0.261 0.000 2.378 52 D HA 0.072 4.712 4.640 -0.001 0.000 0.238 52 D C 0.253 176.615 176.300 0.103 0.000 1.180 52 D CA 0.711 54.784 54.000 0.122 0.000 0.895 52 D CB -0.128 40.688 40.800 0.026 0.000 1.192 52 D HN 0.223 nan 8.370 nan 0.000 0.438 53 T N 1.331 115.936 114.554 0.085 0.000 2.834 53 T HA 0.008 4.358 4.350 -0.001 0.000 0.298 53 T C -0.159 174.624 174.700 0.138 0.000 0.966 53 T CA -0.325 61.839 62.100 0.106 0.000 1.141 53 T CB 0.039 68.946 68.868 0.064 0.000 0.905 53 T HN 0.252 nan 8.240 nan 0.000 0.535 54 W N 4.965 126.248 121.300 -0.029 0.000 2.303 54 W HA 0.196 4.855 4.660 -0.001 0.000 0.318 54 W C 0.474 176.968 176.519 -0.042 0.000 1.362 54 W CA -1.488 55.829 57.345 -0.047 0.000 1.234 54 W CB 0.136 29.581 29.460 -0.025 0.000 1.248 54 W HN 0.737 nan 8.180 nan 0.000 0.546 55 D N 2.917 123.129 120.400 -0.314 0.000 2.324 55 D HA -0.112 4.528 4.640 -0.001 0.000 0.235 55 D C 0.239 176.074 176.300 -0.775 0.000 1.095 55 D CA 0.540 54.294 54.000 -0.410 0.000 0.871 55 D CB -0.313 40.345 40.800 -0.237 0.000 0.906 55 D HN 0.702 nan 8.370 nan 0.000 0.522 56 E N -1.764 117.379 120.200 -1.761 0.000 3.413 56 E HA -0.144 4.206 4.350 -0.001 0.000 0.300 56 E C -0.649 175.269 176.600 -1.137 0.000 0.891 56 E CA 0.782 55.892 56.400 -2.151 0.000 1.050 56 E CB -2.242 26.859 29.700 -0.999 0.000 1.534 56 E HN 0.286 nan 8.360 nan 0.000 0.436 57 T N 1.348 115.501 114.554 -0.668 0.000 2.743 57 T HA 0.235 4.585 4.350 -0.001 0.000 0.292 57 T C 0.200 175.091 174.700 0.317 0.000 0.972 57 T CA -0.497 61.548 62.100 -0.091 0.000 0.967 57 T CB 0.859 69.690 68.868 -0.062 0.000 0.926 57 T HN 0.035 nan 8.240 nan 0.000 0.459 58 K N 3.874 124.450 120.400 0.293 0.000 2.054 58 K HA 0.135 4.455 4.320 -0.001 0.000 0.242 58 K C 1.334 178.023 176.600 0.147 0.000 1.157 58 K CA -0.132 56.329 56.287 0.290 0.000 1.079 58 K CB 0.411 33.021 32.500 0.184 0.000 1.331 58 K HN 0.447 nan 8.250 nan 0.000 0.317 59 R N 1.026 121.618 120.500 0.154 0.000 2.115 59 R HA -0.038 4.302 4.340 -0.001 0.000 0.226 59 R C 1.020 177.331 176.300 0.020 0.000 1.100 59 R CA 0.620 56.765 56.100 0.076 0.000 0.980 59 R CB -0.014 30.335 30.300 0.082 0.000 0.875 59 R HN 0.460 nan 8.270 nan 0.000 0.445 60 A N 1.147 123.969 122.820 0.003 0.000 2.280 60 A HA 0.088 4.408 4.320 -0.001 0.000 0.268 60 A C -0.565 176.966 177.584 -0.089 0.000 1.111 60 A CA -0.162 51.841 52.037 -0.056 0.000 0.814 60 A CB 0.351 19.317 19.000 -0.057 0.000 1.093 60 A HN 0.092 nan 8.150 nan 0.000 0.498 61 D N 0.051 120.352 120.400 -0.165 0.000 2.634 61 D HA 0.414 5.054 4.640 -0.001 0.000 0.318 61 D C -0.840 175.385 176.300 -0.125 0.000 1.226 61 D CA 0.082 53.980 54.000 -0.170 0.000 0.899 61 D CB -0.095 40.486 40.800 -0.365 0.000 1.025 61 D HN 0.391 nan 8.370 nan 0.000 0.501 62 I N 1.073 121.585 120.570 -0.098 0.000 2.325 62 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 62 I C 0.293 176.331 176.117 -0.133 0.000 1.019 62 I CA -0.281 60.967 61.300 -0.086 0.000 1.302 62 I CB 1.409 39.386 38.000 -0.037 0.000 1.401 62 I HN 0.049 nan 8.210 nan 0.000 0.485 63 S N 5.130 120.678 115.700 -0.254 0.000 2.537 63 S HA 0.486 4.956 4.470 -0.001 0.000 0.301 63 S C -1.074 173.490 174.600 -0.059 0.000 1.092 63 S CA -0.511 57.486 58.200 -0.339 0.000 1.048 63 S CB 1.543 64.142 63.200 -1.002 0.000 1.053 63 S HN 0.447 nan 8.310 nan 0.000 0.501 64 Y N 2.297 122.563 120.300 -0.056 0.000 2.331 64 Y HA 0.369 4.919 4.550 -0.001 0.000 0.334 64 Y C -0.153 175.827 175.900 0.134 0.000 0.960 64 Y CA -0.495 57.636 58.100 0.052 0.000 1.130 64 Y CB 0.995 39.449 38.460 -0.010 0.000 1.164 64 Y HN 0.618 nan 8.280 nan 0.000 0.458 65 Q N 6.587 126.394 119.800 0.012 0.000 2.274 65 Q HA 0.549 4.888 4.340 -0.001 0.000 0.256 65 Q C -1.760 174.078 176.000 -0.271 0.000 0.927 65 Q CA -0.877 54.868 55.803 -0.097 0.000 0.939 65 Q CB 0.843 29.454 28.738 -0.211 0.000 1.201 65 Q HN 0.737 nan 8.270 nan 0.000 0.426 66 L N 1.370 122.382 121.223 -0.352 0.000 2.350 66 L HA 0.610 4.949 4.340 -0.001 0.000 0.260 66 L C -1.855 174.660 176.870 -0.593 0.000 1.015 66 L CA -1.072 53.486 54.840 -0.469 0.000 0.821 66 L CB 1.248 42.905 42.059 -0.670 0.000 1.370 66 L HN 0.415 nan 8.230 nan 0.000 0.416 67 L N 2.936 123.691 121.223 -0.779 0.000 2.277 67 L HA 0.433 4.772 4.340 -0.001 0.000 0.284 67 L C 1.059 177.414 176.870 -0.859 0.000 1.028 67 L CA -0.080 54.221 54.840 -0.898 0.000 0.835 67 L CB 0.823 42.251 42.059 -1.053 0.000 1.215 67 L HN 0.803 nan 8.230 nan 0.000 0.425 68 L N 2.905 123.761 121.223 -0.611 0.000 2.051 68 L HA -0.312 4.028 4.340 -0.001 0.000 0.214 68 L C 1.953 178.635 176.870 -0.313 0.000 1.076 68 L CA 1.922 56.568 54.840 -0.323 0.000 0.758 68 L CB -0.546 41.424 42.059 -0.149 0.000 0.890 68 L HN 0.759 nan 8.230 nan 0.000 0.433 69 Y N -1.801 118.304 120.300 -0.324 0.000 2.439 69 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 69 Y C 2.363 177.795 175.900 -0.781 0.000 1.130 69 Y CA 0.618 58.326 58.100 -0.653 0.000 1.254 69 Y CB -0.889 37.128 38.460 -0.738 0.000 1.000 69 Y HN 0.183 nan 8.280 nan 0.000 0.554 70 S N -2.207 113.094 115.700 -0.666 0.000 2.603 70 S HA 0.153 4.623 4.470 -0.001 0.000 0.232 70 S C 1.108 175.581 174.600 -0.212 0.000 1.016 70 S CA -0.514 57.465 58.200 -0.368 0.000 0.976 70 S CB -0.832 62.193 63.200 -0.292 0.000 0.921 70 S HN 0.327 nan 8.310 nan 0.000 0.516 71 F N 3.138 122.856 119.950 -0.386 0.000 2.044 71 F HA 0.616 5.143 4.527 -0.001 0.000 0.287 71 F C 0.869 176.788 175.800 0.198 0.000 1.155 71 F CA 0.708 58.598 58.000 -0.183 0.000 1.152 71 F CB -0.412 38.477 39.000 -0.186 0.000 1.013 71 F HN 0.309 nan 8.300 nan 0.000 0.478 72 A N 0.142 123.071 122.820 0.182 0.000 2.408 72 A HA 0.445 4.765 4.320 -0.001 0.000 0.295 72 A C -1.825 175.850 177.584 0.152 0.000 1.040 72 A CA -0.484 51.633 52.037 0.134 0.000 0.707 72 A CB 0.771 19.717 19.000 -0.091 0.000 1.235 72 A HN 0.279 nan 8.150 nan 0.000 0.418 73 D N 1.692 122.173 120.400 0.135 0.000 2.280 73 D HA 0.441 5.081 4.640 -0.001 0.000 0.236 73 D C 1.034 177.314 176.300 -0.032 0.000 1.082 73 D CA 0.454 54.497 54.000 0.071 0.000 0.834 73 D CB 1.266 42.098 40.800 0.053 0.000 1.100 73 D HN 0.371 nan 8.370 nan 0.000 0.486 74 S N 1.866 117.562 115.700 -0.007 0.000 2.539 74 S HA 0.038 4.508 4.470 -0.001 0.000 0.221 74 S C 0.664 175.195 174.600 -0.116 0.000 0.987 74 S CA -0.135 57.999 58.200 -0.110 0.000 0.929 74 S CB 0.070 63.327 63.200 0.096 0.000 0.832 74 S HN 0.506 nan 8.310 nan 0.000 0.492 75 D N -0.341 120.025 120.400 -0.057 0.000 2.449 75 D HA 0.343 4.983 4.640 -0.001 0.000 0.210 75 D C 1.468 177.742 176.300 -0.044 0.000 1.094 75 D CA 0.668 54.645 54.000 -0.038 0.000 0.846 75 D CB -0.247 40.557 40.800 0.007 0.000 1.003 75 D HN 0.511 nan 8.370 nan 0.000 0.504 76 G N 1.519 110.288 108.800 -0.051 0.000 2.213 76 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.226 76 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.226 76 G C 0.706 175.609 174.900 0.005 0.000 0.992 76 G CA 0.449 45.526 45.100 -0.039 0.000 0.632 76 G HN 0.473 nan 8.290 nan 0.000 0.511 77 D N 0.665 121.086 120.400 0.035 0.000 2.392 77 D HA 0.339 4.979 4.640 -0.001 0.000 0.228 77 D C 1.966 178.328 176.300 0.103 0.000 1.003 77 D CA 1.243 55.279 54.000 0.061 0.000 0.917 77 D CB -0.785 40.056 40.800 0.069 0.000 0.890 77 D HN 1.734 nan 8.370 nan 0.000 0.532 78 G N -0.944 107.917 108.800 0.102 0.000 2.159 78 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.256 78 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.256 78 G C -0.288 174.743 174.900 0.219 0.000 0.977 78 G CA 0.354 45.529 45.100 0.124 0.000 0.652 78 G HN 0.488 nan 8.290 nan 0.000 0.531 79 Y N 1.191 121.547 120.300 0.093 0.000 2.393 79 Y HA 0.565 5.115 4.550 -0.000 0.000 0.341 79 Y C 0.999 176.969 175.900 0.118 0.000 0.988 79 Y CA -0.113 58.069 58.100 0.136 0.000 1.078 79 Y CB 1.533 40.063 38.460 0.117 0.000 1.203 79 Y HN 0.348 nan 8.280 nan 0.000 0.453 80 G N 4.041 112.764 108.800 -0.129 0.000 2.614 80 G HA2 0.366 4.326 3.960 -0.001 0.000 0.239 80 G HA3 0.366 4.326 3.960 -0.001 0.000 0.239 80 G C -0.854 174.102 174.900 0.094 0.000 1.240 80 G CA 0.039 45.125 45.100 -0.024 0.000 0.842 80 G HN 0.763 nan 8.290 nan 0.000 0.584 81 D N -0.205 120.262 120.400 0.113 0.000 2.692 81 D HA 0.080 4.720 4.640 -0.001 0.000 0.303 81 D C 1.028 177.399 176.300 0.118 0.000 1.278 81 D CA -0.807 53.272 54.000 0.132 0.000 0.852 81 D CB 0.783 41.667 40.800 0.139 0.000 1.375 81 D HN 0.239 nan 8.370 nan 0.000 0.453 82 L N -0.013 121.280 121.223 0.117 0.000 2.093 82 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 82 L C 2.079 179.000 176.870 0.086 0.000 1.085 82 L CA 1.075 55.980 54.840 0.108 0.000 0.755 82 L CB -0.601 41.545 42.059 0.145 0.000 0.904 82 L HN 0.362 nan 8.230 nan 0.000 0.435 83 N N 0.400 119.153 118.700 0.087 0.000 2.244 83 N HA -0.116 4.624 4.740 -0.001 0.000 0.183 83 N C 1.871 177.431 175.510 0.083 0.000 1.016 83 N CA 1.401 54.494 53.050 0.071 0.000 0.866 83 N CB -0.441 38.089 38.487 0.071 0.000 0.980 83 N HN 0.364 nan 8.380 nan 0.000 0.430 84 G N 0.690 109.561 108.800 0.118 0.000 2.422 84 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.218 84 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.218 84 G C 1.702 176.637 174.900 0.058 0.000 1.146 84 G CA 0.657 45.837 45.100 0.135 0.000 0.769 84 G HN 0.191 nan 8.290 nan 0.000 0.547 85 V N 0.847 120.846 119.914 0.142 0.000 2.323 85 V HA -0.148 3.971 4.120 -0.001 0.000 0.244 85 V C 3.122 179.243 176.094 0.046 0.000 1.041 85 V CA 2.256 64.664 62.300 0.181 0.000 1.025 85 V CB -0.930 30.944 31.823 0.085 0.000 0.656 85 V HN 0.361 nan 8.190 nan 0.000 0.451 86 T N -0.521 114.035 114.554 0.004 0.000 2.759 86 T HA -0.281 4.068 4.350 -0.001 0.000 0.269 86 T C 1.836 176.497 174.700 -0.064 0.000 1.042 86 T CA 1.604 63.684 62.100 -0.033 0.000 1.140 86 T CB -0.260 68.591 68.868 -0.028 0.000 0.864 86 T HN 0.490 nan 8.240 nan 0.000 0.455 87 Q N -0.179 119.562 119.800 -0.099 0.000 2.472 87 Q HA 0.086 4.426 4.340 -0.001 0.000 0.208 87 Q C 1.492 177.289 176.000 -0.339 0.000 0.958 87 Q CA 0.574 56.261 55.803 -0.194 0.000 0.932 87 Q CB 0.305 28.932 28.738 -0.184 0.000 1.007 87 Q HN 0.103 nan 8.270 nan 0.000 0.508 88 K N -0.182 120.049 120.400 -0.283 0.000 2.387 88 K HA 0.176 4.496 4.320 -0.001 0.000 0.203 88 K C 1.163 177.755 176.600 -0.014 0.000 1.030 88 K CA -0.003 56.109 56.287 -0.291 0.000 1.099 88 K CB 0.568 32.809 32.500 -0.432 0.000 0.863 88 K HN 0.233 nan 8.250 nan 0.000 0.529 89 L N 0.814 122.020 121.223 -0.029 0.000 2.127 89 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 89 L C 1.383 178.255 176.870 0.005 0.000 1.089 89 L CA 1.259 56.095 54.840 -0.006 0.000 0.757 89 L CB -0.218 41.822 42.059 -0.032 0.000 0.899 89 L HN 0.137 nan 8.230 nan 0.000 0.434 90 D N -0.948 119.449 120.400 -0.004 0.000 2.178 90 D HA -0.225 4.415 4.640 -0.001 0.000 0.202 90 D C 1.853 178.186 176.300 0.054 0.000 0.974 90 D CA 1.190 55.194 54.000 0.007 0.000 0.841 90 D CB -0.054 40.738 40.800 -0.014 0.000 0.953 90 D HN 0.376 nan 8.370 nan 0.000 0.478 91 Y N 1.641 121.932 120.300 -0.015 0.000 2.163 91 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 91 Y C 2.201 178.165 175.900 0.105 0.000 1.136 91 Y CA 1.151 59.301 58.100 0.083 0.000 1.147 91 Y CB -0.462 38.087 38.460 0.148 0.000 0.987 91 Y HN -0.151 nan 8.280 nan 0.000 0.509 92 L N 0.413 121.632 121.223 -0.007 0.000 2.083 92 L HA -0.233 4.107 4.340 -0.001 0.000 0.209 92 L C 2.273 179.052 176.870 -0.151 0.000 1.083 92 L CA 1.724 56.444 54.840 -0.201 0.000 0.752 92 L CB -0.733 41.240 42.059 -0.144 0.000 0.899 92 L HN 0.267 nan 8.230 nan 0.000 0.433 93 N N -0.033 118.629 118.700 -0.063 0.000 2.244 93 N HA -0.224 4.516 4.740 -0.001 0.000 0.183 93 N C 1.867 177.383 175.510 0.011 0.000 1.016 93 N CA 1.080 54.122 53.050 -0.013 0.000 0.866 93 N CB 0.005 38.497 38.487 0.008 0.000 0.980 93 N HN 0.296 nan 8.380 nan 0.000 0.430 94 Q N -0.362 119.418 119.800 -0.033 0.000 2.224 94 Q HA 0.019 4.358 4.340 -0.001 0.000 0.203 94 Q C 1.565 177.595 176.000 0.051 0.000 0.970 94 Q CA 0.646 56.419 55.803 -0.050 0.000 0.865 94 Q CB 0.013 28.644 28.738 -0.178 0.000 0.922 94 Q HN 0.415 nan 8.270 nan 0.000 0.445 95 L N -0.470 120.781 121.223 0.048 0.000 2.610 95 L HA 0.064 4.403 4.340 -0.001 0.000 0.232 95 L C 0.880 177.756 176.870 0.010 0.000 1.149 95 L CA 0.516 55.409 54.840 0.088 0.000 0.872 95 L CB -0.152 41.824 42.059 -0.137 0.000 0.992 95 L HN 0.525 nan 8.230 nan 0.000 0.447 96 G N 0.824 109.619 108.800 -0.010 0.000 2.249 96 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.273 96 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.273 96 G C 0.310 175.198 174.900 -0.019 0.000 1.036 96 G CA 0.423 45.508 45.100 -0.025 0.000 0.824 96 G HN 0.325 nan 8.290 nan 0.000 0.504 97 V N -3.061 116.836 119.914 -0.028 0.000 2.732 97 V HA 0.689 4.808 4.120 -0.001 0.000 0.297 97 V C 1.240 177.306 176.094 -0.047 0.000 1.060 97 V CA 0.345 62.622 62.300 -0.037 0.000 1.038 97 V CB 1.728 33.525 31.823 -0.043 0.000 1.003 97 V HN 0.202 nan 8.190 nan 0.000 0.481 98 K N 1.876 122.231 120.400 -0.075 0.000 2.367 98 K HA 0.614 4.934 4.320 -0.001 0.000 0.195 98 K C 0.378 176.872 176.600 -0.177 0.000 1.060 98 K CA 0.637 56.868 56.287 -0.092 0.000 1.022 98 K CB 0.800 33.253 32.500 -0.078 0.000 0.894 98 K HN 1.048 nan 8.250 nan 0.000 0.540 99 A N 0.713 123.394 122.820 -0.231 0.000 2.594 99 A HA 0.598 4.918 4.320 -0.001 0.000 0.295 99 A C -2.009 175.407 177.584 -0.281 0.000 1.071 99 A CA -0.729 51.054 52.037 -0.424 0.000 0.685 99 A CB 1.268 19.803 19.000 -0.775 0.000 1.285 99 A HN 0.039 nan 8.150 nan 0.000 0.405 100 L N 1.440 122.485 121.223 -0.297 0.000 2.333 100 L HA 0.603 4.942 4.340 -0.001 0.000 0.280 100 L C -0.982 175.946 176.870 0.096 0.000 1.004 100 L CA -0.108 54.700 54.840 -0.054 0.000 0.820 100 L CB 1.588 43.603 42.059 -0.073 0.000 1.247 100 L HN 0.777 nan 8.230 nan 0.000 0.416 101 W N 6.698 128.055 121.300 0.096 0.000 2.291 101 W HA 0.597 5.256 4.660 -0.001 0.000 0.312 101 W C -1.592 174.981 176.519 0.089 0.000 1.061 101 W CA -1.437 56.043 57.345 0.225 0.000 1.296 101 W CB 0.431 30.147 29.460 0.426 0.000 1.223 101 W HN 0.321 nan 8.180 nan 0.000 0.421 102 L N 6.530 127.979 121.223 0.376 0.000 2.325 102 L HA 0.375 4.715 4.340 -0.001 0.000 0.279 102 L C 1.233 178.122 176.870 0.032 0.000 1.054 102 L CA -0.874 53.997 54.840 0.052 0.000 0.804 102 L CB 1.180 43.272 42.059 0.055 0.000 1.200 102 L HN 0.563 nan 8.230 nan 0.000 0.436 103 S N 1.822 117.401 115.700 -0.202 0.000 2.596 103 S HA 0.238 4.707 4.470 -0.001 0.000 0.260 103 S C -2.456 172.056 174.600 -0.147 0.000 1.336 103 S CA -1.177 56.913 58.200 -0.185 0.000 0.993 103 S CB -0.166 62.872 63.200 -0.269 0.000 0.923 103 S HN 0.386 nan 8.310 nan 0.000 0.567 104 P HA 0.055 nan 4.420 nan 0.000 0.259 104 P C 0.151 177.259 177.300 -0.319 0.000 1.163 104 P CA 0.418 63.327 63.100 -0.318 0.000 0.760 104 P CB 0.165 31.599 31.700 -0.444 0.000 0.762 105 I N 2.581 122.830 120.570 -0.535 0.000 3.860 105 I HA 0.008 4.178 4.170 -0.001 0.000 0.319 105 I C 0.584 176.460 176.117 -0.402 0.000 1.279 105 I CA 0.007 61.028 61.300 -0.464 0.000 1.220 105 I CB 0.096 37.763 38.000 -0.555 0.000 1.027 105 I HN 0.447 nan 8.210 nan 0.000 0.428 106 H N 0.834 119.820 119.070 -0.140 0.000 2.544 106 H HA 0.295 4.850 4.556 -0.001 0.000 0.365 106 H C -2.325 172.938 175.328 -0.108 0.000 1.268 106 H CA -1.955 54.030 56.048 -0.106 0.000 1.400 106 H CB -0.422 29.231 29.762 -0.180 0.000 1.538 106 H HN -0.052 nan 8.280 nan 0.000 0.597 107 P HA -0.001 nan 4.420 nan 0.000 0.268 107 P C -0.664 176.591 177.300 -0.075 0.000 1.204 107 P CA 0.112 63.191 63.100 -0.035 0.000 0.768 107 P CB 0.441 32.102 31.700 -0.065 0.000 0.842 108 C N 1.500 120.762 119.300 -0.064 0.000 3.258 108 C HA 0.515 4.975 4.460 -0.001 0.000 0.376 108 C C 1.179 176.152 174.990 -0.029 0.000 1.869 108 C CA -0.583 58.400 59.018 -0.059 0.000 1.189 108 C CB 0.577 28.278 27.740 -0.064 0.000 2.230 108 C HN 0.417 nan 8.230 nan 0.000 0.432 109 M N 1.042 120.656 119.600 0.023 0.000 2.730 109 M HA 0.210 4.689 4.480 -0.001 0.000 0.258 109 M C 0.595 176.992 176.300 0.161 0.000 1.279 109 M CA 0.826 56.182 55.300 0.093 0.000 1.183 109 M CB 0.116 32.812 32.600 0.161 0.000 1.291 109 M HN 0.712 nan 8.290 nan 0.000 0.518 110 S N -0.572 115.128 115.700 0.001 0.000 2.621 110 S HA 0.238 4.707 4.470 -0.001 0.000 0.302 110 S C 0.283 174.663 174.600 -0.367 0.000 1.093 110 S CA -0.797 57.269 58.200 -0.223 0.000 1.017 110 S CB 0.969 63.748 63.200 -0.702 0.000 1.077 110 S HN 0.432 nan 8.310 nan 0.000 0.517 111 Y N 1.515 121.661 120.300 -0.257 0.000 2.256 111 Y HA -0.255 4.295 4.550 -0.001 0.000 0.288 111 Y C 2.025 177.680 175.900 -0.408 0.000 1.155 111 Y CA 2.151 60.095 58.100 -0.261 0.000 1.203 111 Y CB -1.170 37.155 38.460 -0.226 0.000 0.980 111 Y HN 0.926 nan 8.280 nan 0.000 0.530 112 H N -1.150 117.201 119.070 -1.197 0.000 2.524 112 H HA 0.261 4.817 4.556 -0.001 0.000 0.282 112 H C 2.010 177.205 175.328 -0.221 0.000 1.016 112 H CA 0.253 55.912 56.048 -0.647 0.000 1.270 112 H CB -0.691 28.773 29.762 -0.496 0.000 1.394 112 H HN 0.460 nan 8.280 nan 0.000 0.568 113 G N -0.288 108.368 108.800 -0.240 0.000 2.184 113 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.264 113 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.264 113 G C 0.486 175.293 174.900 -0.156 0.000 0.975 113 G CA 0.495 45.492 45.100 -0.172 0.000 0.642 113 G HN 0.542 nan 8.290 nan 0.000 0.536 114 Y N 1.612 122.112 120.300 0.335 0.000 2.578 114 Y HA 0.276 4.825 4.550 -0.001 0.000 0.297 114 Y C 1.012 176.913 175.900 0.002 0.000 1.176 114 Y CA 0.793 58.992 58.100 0.165 0.000 1.315 114 Y CB 0.373 38.901 38.460 0.113 0.000 1.031 114 Y HN 0.437 nan 8.280 nan 0.000 0.524 115 D N -0.809 119.699 120.400 0.180 0.000 2.517 115 D HA 0.205 4.844 4.640 -0.001 0.000 0.301 115 D C -0.212 176.110 176.300 0.037 0.000 1.202 115 D CA -0.481 53.610 54.000 0.151 0.000 0.910 115 D CB -0.129 40.964 40.800 0.489 0.000 1.021 115 D HN -0.010 nan 8.370 nan 0.000 0.499 116 V N 0.602 120.464 119.914 -0.086 0.000 2.843 116 V HA 0.415 4.534 4.120 -0.001 0.000 0.305 116 V C 0.952 176.933 176.094 -0.187 0.000 1.065 116 V CA 0.654 62.820 62.300 -0.223 0.000 1.116 116 V CB 1.349 32.856 31.823 -0.526 0.000 0.968 116 V HN 0.554 nan 8.190 nan 0.000 0.487 117 T N -0.161 114.229 114.554 -0.273 0.000 3.040 117 T HA 0.319 4.669 4.350 -0.001 0.000 0.266 117 T C 0.138 174.329 174.700 -0.848 0.000 1.005 117 T CA 0.428 62.272 62.100 -0.428 0.000 0.906 117 T CB -0.100 68.600 68.868 -0.280 0.000 1.082 117 T HN 0.829 nan 8.240 nan 0.000 0.531 118 D N -0.208 119.830 120.400 -0.603 0.000 2.419 118 D HA 0.190 4.830 4.640 -0.001 0.000 0.219 118 D C -0.691 175.380 176.300 -0.380 0.000 1.349 118 D CA -0.541 53.176 54.000 -0.473 0.000 0.964 118 D CB 0.712 41.345 40.800 -0.278 0.000 1.463 118 D HN 0.041 nan 8.370 nan 0.000 0.573 119 Y N 1.007 121.130 120.300 -0.295 0.000 2.561 119 Y HA -0.042 4.508 4.550 -0.001 0.000 0.291 119 Y C 2.484 178.435 175.900 0.086 0.000 1.141 119 Y CA 1.365 59.221 58.100 -0.406 0.000 1.303 119 Y CB 0.376 38.733 38.460 -0.171 0.000 1.015 119 Y HN 0.416 nan 8.280 nan 0.000 0.547 120 T N -3.159 111.531 114.554 0.226 0.000 3.086 120 T HA 0.232 4.582 4.350 -0.001 0.000 0.250 120 T C 0.442 175.208 174.700 0.110 0.000 1.074 120 T CA -0.111 62.074 62.100 0.141 0.000 0.988 120 T CB 0.103 68.989 68.868 0.030 0.000 0.988 120 T HN 0.013 nan 8.240 nan 0.000 0.530 121 K N 0.142 120.723 120.400 0.302 0.000 2.331 121 K HA 0.734 5.054 4.320 -0.001 0.000 0.238 121 K C -1.382 175.480 176.600 0.436 0.000 1.058 121 K CA -1.054 55.394 56.287 0.268 0.000 0.871 121 K CB 2.439 35.002 32.500 0.106 0.000 1.292 121 K HN -0.127 nan 8.250 nan 0.000 0.470 122 V N 2.048 122.115 119.914 0.254 0.000 2.435 122 V HA 0.123 4.243 4.120 -0.001 0.000 0.290 122 V C -0.198 175.953 176.094 0.095 0.000 1.030 122 V CA -0.990 61.409 62.300 0.164 0.000 0.881 122 V CB 1.338 33.253 31.823 0.154 0.000 0.983 122 V HN 0.670 nan 8.190 nan 0.000 0.445 123 N N 6.753 125.485 118.700 0.055 0.000 2.374 123 N HA 0.030 4.769 4.740 -0.001 0.000 0.269 123 N C -1.671 173.869 175.510 0.051 0.000 1.310 123 N CA -1.101 51.973 53.050 0.039 0.000 0.877 123 N CB 1.460 39.965 38.487 0.031 0.000 1.096 123 N HN 0.299 nan 8.380 nan 0.000 0.484 124 P HA -0.162 nan 4.420 nan 0.000 0.218 124 P C 0.966 178.287 177.300 0.034 0.000 1.146 124 P CA 1.166 64.286 63.100 0.033 0.000 0.813 124 P CB 0.200 31.906 31.700 0.011 0.000 0.778 125 Q N -0.662 119.152 119.800 0.022 0.000 2.436 125 Q HA -0.028 4.312 4.340 -0.001 0.000 0.209 125 Q C 1.393 177.469 176.000 0.127 0.000 0.965 125 Q CA 0.705 56.513 55.803 0.008 0.000 0.910 125 Q CB -0.326 28.352 28.738 -0.099 0.000 0.980 125 Q HN 0.268 nan 8.270 nan 0.000 0.491 126 L N -0.891 120.417 121.223 0.141 0.000 2.616 126 L HA 0.410 4.749 4.340 -0.001 0.000 0.229 126 L C 0.776 177.730 176.870 0.140 0.000 1.110 126 L CA 0.167 55.112 54.840 0.175 0.000 0.884 126 L CB 0.853 43.000 42.059 0.147 0.000 1.115 126 L HN 0.291 nan 8.230 nan 0.000 0.481 127 G N -0.059 108.810 108.800 0.116 0.000 2.346 127 G HA2 0.039 3.999 3.960 -0.001 0.000 0.294 127 G HA3 0.039 3.999 3.960 -0.001 0.000 0.294 127 G C -0.659 174.305 174.900 0.108 0.000 1.294 127 G CA -0.260 44.906 45.100 0.111 0.000 0.962 127 G HN 0.000 nan 8.290 nan 0.000 0.508 128 T N -2.265 112.357 114.554 0.114 0.000 2.937 128 T HA 0.663 5.012 4.350 -0.001 0.000 0.283 128 T C 0.989 175.783 174.700 0.156 0.000 1.012 128 T CA 0.406 62.572 62.100 0.110 0.000 0.997 128 T CB 1.998 70.917 68.868 0.085 0.000 1.136 128 T HN 0.457 nan 8.240 nan 0.000 0.551 129 E N 0.842 121.127 120.200 0.141 0.000 2.110 129 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 129 E C 2.399 179.125 176.600 0.210 0.000 0.988 129 E CA 1.758 58.266 56.400 0.180 0.000 0.804 129 E CB -0.601 29.165 29.700 0.110 0.000 0.745 129 E HN 0.820 nan 8.360 nan 0.000 0.458 130 S N 0.968 116.752 115.700 0.141 0.000 2.428 130 S HA -0.120 4.350 4.470 -0.001 0.000 0.230 130 S C 1.498 176.167 174.600 0.115 0.000 1.014 130 S CA 0.960 59.229 58.200 0.115 0.000 0.957 130 S CB -0.020 63.224 63.200 0.074 0.000 0.784 130 S HN -0.004 nan 8.310 nan 0.000 0.499 131 D N 0.894 121.373 120.400 0.132 0.000 2.117 131 D HA -0.021 4.619 4.640 -0.001 0.000 0.197 131 D C 1.473 177.854 176.300 0.134 0.000 0.987 131 D CA 0.903 54.972 54.000 0.115 0.000 0.829 131 D CB -0.495 40.379 40.800 0.123 0.000 0.961 131 D HN 0.487 nan 8.370 nan 0.000 0.460 132 F N 2.059 122.061 119.950 0.086 0.000 2.075 132 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 132 F C 1.793 177.646 175.800 0.089 0.000 1.113 132 F CA 1.391 59.455 58.000 0.108 0.000 1.218 132 F CB -0.101 39.016 39.000 0.194 0.000 0.984 132 F HN -0.183 nan 8.300 nan 0.000 0.472 133 D N -0.049 120.392 120.400 0.069 0.000 2.218 133 D HA -0.161 4.479 4.640 -0.001 0.000 0.204 133 D C 2.349 178.573 176.300 -0.127 0.000 0.976 133 D CA 0.579 54.549 54.000 -0.051 0.000 0.853 133 D CB -0.300 40.559 40.800 0.098 0.000 0.939 133 D HN 0.230 nan 8.370 nan 0.000 0.481 134 R N 0.781 121.235 120.500 -0.077 0.000 2.075 134 R HA -0.087 4.253 4.340 -0.001 0.000 0.232 134 R C 2.280 178.498 176.300 -0.136 0.000 1.126 134 R CA 0.394 56.451 56.100 -0.072 0.000 0.963 134 R CB -0.794 29.492 30.300 -0.023 0.000 0.858 134 R HN 0.214 nan 8.270 nan 0.000 0.435 135 L N 0.814 121.924 121.223 -0.189 0.000 2.012 135 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 135 L C 2.196 178.876 176.870 -0.316 0.000 1.073 135 L CA 1.633 56.337 54.840 -0.225 0.000 0.748 135 L CB -0.706 41.209 42.059 -0.241 0.000 0.891 135 L HN -0.088 nan 8.230 nan 0.000 0.431 136 V N -0.660 118.967 119.914 -0.480 0.000 2.407 136 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 136 V C 2.478 178.253 176.094 -0.532 0.000 1.055 136 V CA 2.183 64.143 62.300 -0.567 0.000 1.049 136 V CB -1.120 30.374 31.823 -0.548 0.000 0.662 136 V HN 0.563 nan 8.190 nan 0.000 0.455 137 T N -0.735 113.644 114.554 -0.292 0.000 2.737 137 T HA -0.137 4.213 4.350 -0.001 0.000 0.265 137 T C 1.935 176.575 174.700 -0.099 0.000 1.038 137 T CA 1.288 63.295 62.100 -0.155 0.000 1.144 137 T CB -0.207 68.614 68.868 -0.077 0.000 0.866 137 T HN 0.409 nan 8.240 nan 0.000 0.434 138 E N 1.172 121.310 120.200 -0.104 0.000 2.106 138 E HA 0.022 4.371 4.350 -0.001 0.000 0.192 138 E C 2.472 179.043 176.600 -0.049 0.000 0.984 138 E CA 0.982 57.345 56.400 -0.062 0.000 0.806 138 E CB -0.491 29.171 29.700 -0.062 0.000 0.750 138 E HN 0.485 nan 8.360 nan 0.000 0.458 139 A N 0.822 123.589 122.820 -0.088 0.000 1.877 139 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 139 A C 1.928 179.558 177.584 0.077 0.000 1.186 139 A CA 1.564 53.577 52.037 -0.040 0.000 0.620 139 A CB -0.951 17.996 19.000 -0.087 0.000 0.822 139 A HN 0.366 nan 8.150 nan 0.000 0.443 140 H N -0.551 118.495 119.070 -0.040 0.000 2.387 140 H HA -0.089 4.466 4.556 -0.000 0.000 0.299 140 H C 1.588 176.907 175.328 -0.015 0.000 1.090 140 H CA 0.849 56.886 56.048 -0.018 0.000 1.332 140 H CB 0.045 29.810 29.762 0.005 0.000 1.386 140 H HN 0.416 nan 8.280 nan 0.000 0.516 141 N N 0.832 119.596 118.700 0.106 0.000 2.443 141 N HA -0.082 4.658 4.740 -0.001 0.000 0.184 141 N C 0.970 176.495 175.510 0.025 0.000 1.037 141 N CA 0.868 53.946 53.050 0.048 0.000 0.896 141 N CB 0.015 38.514 38.487 0.021 0.000 0.959 141 N HN 0.377 nan 8.380 nan 0.000 0.442 142 R N -0.597 119.918 120.500 0.026 0.000 2.507 142 R HA 0.228 4.568 4.340 -0.001 0.000 0.298 142 R C 0.579 176.886 176.300 0.013 0.000 0.999 142 R CA 0.159 56.265 56.100 0.010 0.000 1.082 142 R CB 0.359 30.660 30.300 0.001 0.000 1.246 142 R HN 0.059 nan 8.270 nan 0.000 0.553 143 G N 1.754 110.564 108.800 0.018 0.000 2.198 143 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.260 143 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.260 143 G C 0.063 174.959 174.900 -0.007 0.000 1.025 143 G CA 0.117 45.218 45.100 0.002 0.000 0.769 143 G HN 0.297 nan 8.290 nan 0.000 0.507 144 I N -0.008 120.567 120.570 0.008 0.000 2.378 144 I HA 0.353 4.523 4.170 -0.001 0.000 0.291 144 I C 0.549 176.668 176.117 0.003 0.000 0.992 144 I CA -0.867 60.417 61.300 -0.027 0.000 1.154 144 I CB 1.580 39.557 38.000 -0.039 0.000 1.315 144 I HN -0.033 nan 8.210 nan 0.000 0.448 145 K N 5.563 125.890 120.400 -0.121 0.000 2.090 145 K HA 0.576 4.896 4.320 -0.001 0.000 0.250 145 K C -0.760 175.693 176.600 -0.245 0.000 1.004 145 K CA -0.645 55.552 56.287 -0.150 0.000 0.919 145 K CB 1.373 33.675 32.500 -0.329 0.000 1.045 145 K HN 0.348 nan 8.250 nan 0.000 0.471 146 I N 2.720 123.222 120.570 -0.113 0.000 2.418 146 I HA 0.228 4.398 4.170 -0.001 0.000 0.287 146 I C -1.132 175.043 176.117 0.097 0.000 1.008 146 I CA -0.726 60.539 61.300 -0.060 0.000 1.104 146 I CB 0.857 38.884 38.000 0.045 0.000 1.264 146 I HN 0.454 nan 8.210 nan 0.000 0.438 147 Y N 5.803 126.182 120.300 0.131 0.000 2.352 147 Y HA 0.555 5.105 4.550 -0.001 0.000 0.339 147 Y C 0.195 176.212 175.900 0.196 0.000 0.992 147 Y CA -1.195 56.986 58.100 0.135 0.000 1.100 147 Y CB 1.531 40.060 38.460 0.115 0.000 1.192 147 Y HN 0.299 nan 8.280 nan 0.000 0.458 148 L N 2.872 124.285 121.223 0.317 0.000 2.344 148 L HA 0.375 4.715 4.340 -0.001 0.000 0.272 148 L C -0.003 177.010 176.870 0.239 0.000 1.035 148 L CA -0.888 54.071 54.840 0.198 0.000 0.807 148 L CB 1.150 43.208 42.059 -0.001 0.000 1.237 148 L HN 0.524 nan 8.230 nan 0.000 0.442 149 D N 1.438 121.987 120.400 0.249 0.000 2.365 149 D HA 0.094 4.734 4.640 -0.001 0.000 0.237 149 D C -1.252 175.230 176.300 0.303 0.000 1.190 149 D CA -0.043 54.141 54.000 0.306 0.000 0.867 149 D CB 0.415 41.438 40.800 0.371 0.000 1.050 149 D HN 0.180 nan 8.370 nan 0.000 0.491 150 Y N 3.276 123.686 120.300 0.182 0.000 2.353 150 Y HA 0.258 4.808 4.550 -0.000 0.000 0.340 150 Y C -0.244 175.793 175.900 0.228 0.000 0.972 150 Y CA -0.835 57.408 58.100 0.238 0.000 1.157 150 Y CB 1.260 39.876 38.460 0.259 0.000 1.157 150 Y HN 0.068 nan 8.280 nan 0.000 0.495 151 V N 8.199 128.137 119.914 0.040 0.000 2.284 151 V HA 0.088 4.208 4.120 -0.001 0.000 0.260 151 V C 0.644 176.699 176.094 -0.064 0.000 1.084 151 V CA 0.141 62.444 62.300 0.005 0.000 0.894 151 V CB 0.307 32.111 31.823 -0.031 0.000 1.119 151 V HN 0.945 nan 8.190 nan 0.000 0.484 152 M N 2.062 121.644 119.600 -0.031 0.000 2.441 152 M HA 0.097 4.576 4.480 -0.001 0.000 0.244 152 M C 1.794 178.132 176.300 0.064 0.000 1.122 152 M CA 0.345 55.650 55.300 0.008 0.000 1.041 152 M CB -0.092 32.543 32.600 0.059 0.000 1.438 152 M HN 0.673 nan 8.290 nan 0.000 0.484 153 N N 1.024 119.699 118.700 -0.042 0.000 2.300 153 N HA -0.074 4.666 4.740 -0.001 0.000 0.179 153 N C 0.070 175.604 175.510 0.041 0.000 1.016 153 N CA 1.042 54.111 53.050 0.032 0.000 0.876 153 N CB 0.287 38.872 38.487 0.164 0.000 0.979 153 N HN 0.504 nan 8.380 nan 0.000 0.432 154 H N -4.349 114.776 119.070 0.091 0.000 2.967 154 H HA 0.492 5.048 4.556 -0.000 0.000 0.318 154 H C -0.924 174.451 175.328 0.078 0.000 1.375 154 H CA -0.796 55.300 56.048 0.079 0.000 1.132 154 H CB 0.530 30.333 29.762 0.068 0.000 1.848 154 H HN -0.017 nan 8.280 nan 0.000 0.524 155 T N -1.451 113.311 114.554 0.346 0.000 2.926 155 T HA 0.712 5.061 4.350 -0.001 0.000 0.289 155 T C 0.634 175.459 174.700 0.208 0.000 1.054 155 T CA -0.536 61.721 62.100 0.262 0.000 1.015 155 T CB 1.501 70.531 68.868 0.271 0.000 1.167 155 T HN 1.055 nan 8.240 nan 0.000 0.526 156 G N -0.015 108.877 108.800 0.153 0.000 2.606 156 G HA2 0.402 4.362 3.960 -0.001 0.000 0.252 156 G HA3 0.402 4.362 3.960 -0.001 0.000 0.252 156 G C 1.044 175.945 174.900 0.003 0.000 1.206 156 G CA -0.075 45.115 45.100 0.150 0.000 0.861 156 G HN 1.018 nan 8.290 nan 0.000 0.561 157 T N -1.778 112.692 114.554 -0.139 0.000 3.118 157 T HA 0.175 4.525 4.350 -0.001 0.000 0.260 157 T C 1.966 176.623 174.700 -0.071 0.000 1.139 157 T CA 0.973 62.835 62.100 -0.396 0.000 1.085 157 T CB 0.236 68.804 68.868 -0.499 0.000 0.934 157 T HN 0.597 nan 8.240 nan 0.000 0.518 158 A N 0.526 123.315 122.820 -0.051 0.000 2.218 158 A HA 0.224 4.543 4.320 -0.001 0.000 0.209 158 A C 0.793 178.386 177.584 0.015 0.000 1.168 158 A CA -0.291 51.723 52.037 -0.037 0.000 0.804 158 A CB -0.803 18.134 19.000 -0.104 0.000 0.834 158 A HN 0.726 nan 8.150 nan 0.000 0.482 159 H N 1.003 120.053 119.070 -0.032 0.000 2.964 159 H HA 0.115 4.670 4.556 -0.001 0.000 0.328 159 H C -1.277 174.046 175.328 -0.010 0.000 1.030 159 H CA -0.962 55.051 56.048 -0.058 0.000 1.445 159 H CB 1.140 30.888 29.762 -0.023 0.000 1.449 159 H HN 0.066 nan 8.280 nan 0.000 0.581 160 P HA -0.227 nan 4.420 nan 0.000 0.219 160 P C 0.917 178.313 177.300 0.161 0.000 1.146 160 P CA 1.146 64.274 63.100 0.047 0.000 0.808 160 P CB 0.113 31.767 31.700 -0.077 0.000 0.779 161 W N -0.476 120.984 121.300 0.268 0.000 2.358 161 W HA -0.097 4.563 4.660 -0.001 0.000 0.303 161 W C 2.378 178.945 176.519 0.080 0.000 1.208 161 W CA 0.381 57.685 57.345 -0.067 0.000 1.274 161 W CB -1.980 27.523 29.460 0.072 0.000 1.138 161 W HN -0.060 nan 8.180 nan 0.000 0.515 162 F N 1.293 121.381 119.950 0.230 0.000 2.146 162 F HA -0.177 4.350 4.527 -0.001 0.000 0.298 162 F C 2.352 178.080 175.800 -0.120 0.000 1.096 162 F CA 2.164 60.047 58.000 -0.194 0.000 1.275 162 F CB -0.772 37.956 39.000 -0.454 0.000 1.008 162 F HN -0.303 nan 8.300 nan 0.000 0.480 163 T N 0.347 114.860 114.554 -0.069 0.000 2.699 163 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 163 T C 1.794 176.370 174.700 -0.207 0.000 1.036 163 T CA 1.743 63.747 62.100 -0.160 0.000 1.147 163 T CB -0.211 68.618 68.868 -0.065 0.000 0.862 163 T HN 0.235 nan 8.240 nan 0.000 0.446 164 E N 1.049 121.154 120.200 -0.157 0.000 2.028 164 E HA 0.043 4.392 4.350 -0.001 0.000 0.190 164 E C 2.631 179.171 176.600 -0.100 0.000 0.984 164 E CA 1.136 57.461 56.400 -0.126 0.000 0.800 164 E CB -0.686 28.896 29.700 -0.198 0.000 0.758 164 E HN 0.489 nan 8.360 nan 0.000 0.448 165 A N 1.605 124.390 122.820 -0.058 0.000 1.933 165 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 165 A C 2.364 179.760 177.584 -0.313 0.000 1.175 165 A CA 2.314 54.354 52.037 0.005 0.000 0.628 165 A CB -0.599 18.635 19.000 0.391 0.000 0.814 165 A HN 0.324 nan 8.150 nan 0.000 0.444 166 S N 0.182 115.568 115.700 -0.524 0.000 2.522 166 S HA -0.091 4.379 4.470 -0.001 0.000 0.227 166 S C 1.913 176.264 174.600 -0.415 0.000 0.986 166 S CA 1.245 59.054 58.200 -0.651 0.000 0.929 166 S CB -0.644 61.984 63.200 -0.952 0.000 0.769 166 S HN 0.864 nan 8.310 nan 0.000 0.529 167 S N 1.501 117.021 115.700 -0.300 0.000 2.383 167 S HA 0.087 4.557 4.470 -0.001 0.000 0.227 167 S C 0.897 175.398 174.600 -0.164 0.000 1.026 167 S CA 0.458 58.544 58.200 -0.190 0.000 0.981 167 S CB -0.649 62.472 63.200 -0.131 0.000 0.818 167 S HN 1.088 nan 8.310 nan 0.000 0.472 168 S N -0.139 115.452 115.700 -0.182 0.000 2.578 168 S HA 0.462 4.932 4.470 -0.001 0.000 0.272 168 S C 0.333 174.839 174.600 -0.157 0.000 1.145 168 S CA -0.106 58.007 58.200 -0.145 0.000 0.835 168 S CB 0.921 64.071 63.200 -0.084 0.000 1.104 168 S HN 0.564 nan 8.310 nan 0.000 0.458 169 S N 0.030 115.656 115.700 -0.123 0.000 2.555 169 S HA 0.056 4.525 4.470 -0.001 0.000 0.230 169 S C 0.643 175.218 174.600 -0.042 0.000 0.978 169 S CA 0.539 58.684 58.200 -0.091 0.000 0.934 169 S CB -0.422 62.747 63.200 -0.052 0.000 0.766 169 S HN 0.663 nan 8.310 nan 0.000 0.533 170 E N 1.388 121.564 120.200 -0.040 0.000 2.476 170 E HA 0.238 4.588 4.350 -0.001 0.000 0.199 170 E C 0.500 177.094 176.600 -0.011 0.000 1.021 170 E CA -0.009 56.380 56.400 -0.019 0.000 0.907 170 E CB 0.295 29.984 29.700 -0.018 0.000 0.974 170 E HN 0.494 nan 8.360 nan 0.000 0.489 171 S N 1.984 117.675 115.700 -0.015 0.000 2.568 171 S HA 0.040 4.510 4.470 -0.001 0.000 0.282 171 S C -1.651 172.957 174.600 0.013 0.000 1.338 171 S CA -1.044 57.165 58.200 0.016 0.000 1.045 171 S CB 0.927 64.144 63.200 0.028 0.000 0.873 171 S HN -0.176 nan 8.310 nan 0.000 0.516 172 P HA 0.029 nan 4.420 nan 0.000 0.226 172 P C -0.085 177.037 177.300 -0.296 0.000 1.153 172 P CA 1.042 64.043 63.100 -0.166 0.000 0.777 172 P CB 0.017 31.559 31.700 -0.263 0.000 0.794 173 Y N -1.769 118.441 120.300 -0.150 0.000 2.457 173 Y HA 0.176 4.726 4.550 -0.001 0.000 0.263 173 Y C 2.333 178.217 175.900 -0.027 0.000 1.164 173 Y CA -0.245 57.623 58.100 -0.387 0.000 1.274 173 Y CB -0.175 37.981 38.460 -0.508 0.000 1.097 173 Y HN -0.251 nan 8.280 nan 0.000 0.523 174 R N 1.634 122.246 120.500 0.187 0.000 2.113 174 R HA -0.251 4.088 4.340 -0.001 0.000 0.244 174 R C 1.695 178.256 176.300 0.435 0.000 1.142 174 R CA 2.116 58.374 56.100 0.263 0.000 0.953 174 R CB -0.814 29.556 30.300 0.117 0.000 0.860 174 R HN 0.271 nan 8.270 nan 0.000 0.438 175 N N -0.621 118.276 118.700 0.328 0.000 2.609 175 N HA -0.120 4.619 4.740 -0.001 0.000 0.190 175 N C 0.849 176.513 175.510 0.258 0.000 1.157 175 N CA 0.768 53.985 53.050 0.278 0.000 0.918 175 N CB -0.139 38.450 38.487 0.170 0.000 0.978 175 N HN 0.471 nan 8.380 nan 0.000 0.448 176 Y N -1.516 118.812 120.300 0.046 0.000 2.439 176 Y HA -0.054 4.496 4.550 -0.000 0.000 0.292 176 Y C 0.070 175.661 175.900 -0.515 0.000 1.130 176 Y CA 0.283 58.226 58.100 -0.262 0.000 1.254 176 Y CB 0.170 38.448 38.460 -0.303 0.000 1.000 176 Y HN 0.042 nan 8.280 nan 0.000 0.554 177 Y N -2.021 118.410 120.300 0.218 0.000 2.693 177 Y HA 0.393 4.943 4.550 -0.000 0.000 0.331 177 Y C -0.020 175.801 175.900 -0.133 0.000 1.092 177 Y CA -1.630 56.455 58.100 -0.024 0.000 1.131 177 Y CB 1.207 39.595 38.460 -0.120 0.000 1.318 177 Y HN -0.488 nan 8.280 nan 0.000 0.510 178 S N 1.488 117.155 115.700 -0.055 0.000 2.420 178 S HA 0.552 5.022 4.470 -0.001 0.000 0.313 178 S C -1.380 173.225 174.600 0.008 0.000 1.079 178 S CA -0.520 57.702 58.200 0.036 0.000 1.104 178 S CB -0.440 62.804 63.200 0.074 0.000 0.969 178 S HN 0.317 nan 8.310 nan 0.000 0.471 179 F N 1.461 121.693 119.950 0.470 0.000 2.522 179 F HA 0.737 5.264 4.527 -0.000 0.000 0.324 179 F C 0.624 176.692 175.800 0.448 0.000 1.077 179 F CA -0.581 57.724 58.000 0.509 0.000 0.944 179 F CB 2.049 41.261 39.000 0.354 0.000 1.175 179 F HN 0.463 nan 8.300 nan 0.000 0.468 180 S N 0.751 116.836 115.700 0.641 0.000 2.535 180 S HA 0.296 4.766 4.470 -0.001 0.000 0.272 180 S C 0.022 174.804 174.600 0.304 0.000 1.149 180 S CA -0.662 57.728 58.200 0.317 0.000 0.888 180 S CB 1.275 64.485 63.200 0.016 0.000 1.110 180 S HN 0.658 nan 8.310 nan 0.000 0.463 181 E N 1.515 121.825 120.200 0.184 0.000 2.299 181 E HA 0.070 4.420 4.350 -0.001 0.000 0.193 181 E C -0.336 176.341 176.600 0.128 0.000 0.998 181 E CA 0.495 57.012 56.400 0.195 0.000 0.851 181 E CB 0.164 29.932 29.700 0.112 0.000 0.795 181 E HN 0.591 nan 8.360 nan 0.000 0.492 182 D N -0.504 119.863 120.400 -0.054 0.000 2.337 182 D HA 0.161 4.800 4.640 -0.001 0.000 0.238 182 D C -2.281 173.742 176.300 -0.460 0.000 1.331 182 D CA -2.099 51.753 54.000 -0.245 0.000 0.967 182 D CB 1.481 42.172 40.800 -0.182 0.000 1.382 182 D HN -0.297 nan 8.370 nan 0.000 0.549 183 P HA -0.178 nan 4.420 nan 0.000 0.214 183 P C 1.415 178.114 177.300 -1.000 0.000 1.163 183 P CA 1.260 63.653 63.100 -1.179 0.000 0.889 183 P CB 0.366 30.953 31.700 -1.856 0.000 0.790 184 K N -0.816 118.766 120.400 -1.364 0.000 2.044 184 K HA -0.161 4.158 4.320 -0.001 0.000 0.210 184 K C 1.830 178.085 176.600 -0.575 0.000 1.049 184 K CA 2.297 57.822 56.287 -1.269 0.000 0.927 184 K CB -0.675 31.106 32.500 -1.198 0.000 0.713 184 K HN 0.086 nan 8.250 nan 0.000 0.443 185 T N 1.059 115.349 114.554 -0.440 0.000 2.857 185 T HA -0.081 4.269 4.350 -0.001 0.000 0.266 185 T C 1.228 175.805 174.700 -0.204 0.000 1.048 185 T CA 1.291 63.236 62.100 -0.258 0.000 1.139 185 T CB -0.227 68.525 68.868 -0.194 0.000 0.874 185 T HN 0.275 nan 8.240 nan 0.000 0.455 186 D N 1.101 121.361 120.400 -0.233 0.000 2.117 186 D HA -0.028 4.612 4.640 -0.001 0.000 0.198 186 D C 2.161 178.388 176.300 -0.123 0.000 0.982 186 D CA 0.595 54.505 54.000 -0.150 0.000 0.828 186 D CB -0.211 40.504 40.800 -0.142 0.000 0.967 186 D HN 0.227 nan 8.370 nan 0.000 0.464 187 I N 1.370 121.836 120.570 -0.173 0.000 2.076 187 I HA -0.240 3.929 4.170 -0.001 0.000 0.237 187 I C 2.538 178.612 176.117 -0.071 0.000 1.059 187 I CA 1.017 62.258 61.300 -0.098 0.000 1.317 187 I CB -1.430 36.516 38.000 -0.090 0.000 1.037 187 I HN -0.095 nan 8.210 nan 0.000 0.398 188 A N 0.820 123.584 122.820 -0.094 0.000 1.986 188 A HA -0.151 4.169 4.320 -0.001 0.000 0.220 188 A C 2.259 179.815 177.584 -0.048 0.000 1.171 188 A CA 2.077 54.075 52.037 -0.064 0.000 0.640 188 A CB -0.753 18.197 19.000 -0.083 0.000 0.811 188 A HN 0.491 nan 8.150 nan 0.000 0.451 189 A N -1.477 121.310 122.820 -0.056 0.000 2.278 189 A HA 0.433 4.752 4.320 -0.001 0.000 0.212 189 A C 1.616 179.189 177.584 -0.018 0.000 1.213 189 A CA 0.997 53.012 52.037 -0.036 0.000 0.840 189 A CB -1.188 17.787 19.000 -0.042 0.000 0.866 189 A HN 1.936 nan 8.150 nan 0.000 0.489 190 G N -0.283 108.509 108.800 -0.014 0.000 2.323 190 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.292 190 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.292 190 G C 0.714 175.625 174.900 0.018 0.000 1.040 190 G CA 0.908 46.012 45.100 0.007 0.000 0.942 190 G HN 0.439 nan 8.290 nan 0.000 0.506 191 K N -0.721 119.686 120.400 0.012 0.000 2.352 191 K HA 0.312 4.632 4.320 -0.001 0.000 0.194 191 K C 1.136 177.771 176.600 0.058 0.000 1.038 191 K CA 0.111 56.416 56.287 0.030 0.000 1.023 191 K CB 0.259 32.768 32.500 0.015 0.000 0.840 191 K HN 0.375 nan 8.250 nan 0.000 0.519 192 I N 1.588 122.194 120.570 0.059 0.000 2.287 192 I HA 0.190 4.360 4.170 -0.001 0.000 0.290 192 I C 1.156 177.322 176.117 0.081 0.000 1.069 192 I CA -0.368 60.989 61.300 0.096 0.000 1.237 192 I CB 0.204 38.282 38.000 0.130 0.000 1.418 192 I HN 0.022 nan 8.210 nan 0.000 0.481 193 A N 7.207 130.081 122.820 0.090 0.000 1.940 193 A HA -0.199 4.120 4.320 -0.001 0.000 0.221 193 A C 1.967 179.631 177.584 0.133 0.000 1.190 193 A CA 1.723 53.826 52.037 0.109 0.000 0.647 193 A CB -0.269 18.796 19.000 0.108 0.000 0.821 193 A HN 0.656 nan 8.150 nan 0.000 0.457 194 M N -1.040 118.590 119.600 0.051 0.000 2.619 194 M HA 0.226 4.705 4.480 -0.001 0.000 0.251 194 M C 0.060 176.420 176.300 0.100 0.000 1.106 194 M CA 0.876 56.179 55.300 0.006 0.000 1.086 194 M CB -0.633 31.889 32.600 -0.131 0.000 1.465 194 M HN 0.357 nan 8.290 nan 0.000 0.506 195 I N 0.350 120.958 120.570 0.063 0.000 2.796 195 I HA 0.134 4.304 4.170 -0.001 0.000 0.279 195 I C 0.544 176.690 176.117 0.048 0.000 1.289 195 I CA -0.135 61.183 61.300 0.030 0.000 1.021 195 I CB 0.697 38.603 38.000 -0.157 0.000 1.414 195 I HN 0.032 nan 8.210 nan 0.000 0.562 196 T N -1.663 112.945 114.554 0.091 0.000 3.058 196 T HA 0.181 4.531 4.350 -0.001 0.000 0.278 196 T C 0.800 175.537 174.700 0.061 0.000 0.974 196 T CA -0.103 62.038 62.100 0.067 0.000 0.893 196 T CB 0.298 69.211 68.868 0.075 0.000 1.138 196 T HN 0.275 nan 8.240 nan 0.000 0.529 197 Q N 0.677 120.524 119.800 0.079 0.000 2.165 197 Q HA 0.388 4.727 4.340 -0.001 0.000 0.245 197 Q C 0.085 176.127 176.000 0.071 0.000 0.841 197 Q CA 0.105 55.948 55.803 0.066 0.000 1.078 197 Q CB 0.969 29.747 28.738 0.067 0.000 1.169 197 Q HN 0.680 nan 8.270 nan 0.000 0.475 198 E N -0.477 119.764 120.200 0.068 0.000 2.743 198 E HA 0.275 4.625 4.350 -0.001 0.000 0.222 198 E C 0.524 177.150 176.600 0.044 0.000 0.959 198 E CA 0.152 56.594 56.400 0.069 0.000 1.198 198 E CB 1.102 30.869 29.700 0.111 0.000 1.100 198 E HN 0.402 nan 8.360 nan 0.000 0.518 199 G N 1.666 110.484 108.800 0.029 0.000 2.598 199 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.269 199 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.269 199 G C 1.040 175.946 174.900 0.011 0.000 1.289 199 G CA 0.004 45.113 45.100 0.015 0.000 0.926 199 G HN 0.367 nan 8.290 nan 0.000 0.567 200 A N -0.907 121.916 122.820 0.005 0.000 1.986 200 A HA 0.167 4.487 4.320 -0.001 0.000 0.220 200 A C 2.993 180.601 177.584 0.041 0.000 1.171 200 A CA 3.490 55.531 52.037 0.007 0.000 0.640 200 A CB -0.987 18.011 19.000 -0.002 0.000 0.811 200 A HN 2.424 nan 8.150 nan 0.000 0.451 201 A N -0.612 122.231 122.820 0.038 0.000 2.178 201 A HA 0.148 4.468 4.320 -0.001 0.000 0.218 201 A C 2.174 179.789 177.584 0.052 0.000 1.157 201 A CA 1.557 53.623 52.037 0.048 0.000 0.689 201 A CB -1.128 17.899 19.000 0.045 0.000 0.787 201 A HN 0.774 nan 8.150 nan 0.000 0.465 202 G N -1.829 106.990 108.800 0.031 0.000 2.509 202 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.218 202 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.218 202 G C 0.520 175.353 174.900 -0.112 0.000 1.124 202 G CA 0.617 45.685 45.100 -0.053 0.000 0.776 202 G HN 0.538 nan 8.290 nan 0.000 0.547 203 Y N 1.210 121.438 120.300 -0.121 0.000 2.316 203 Y HA 0.540 5.089 4.550 -0.001 0.000 0.331 203 Y C -0.670 175.207 175.900 -0.038 0.000 1.083 203 Y CA -1.863 56.173 58.100 -0.107 0.000 1.206 203 Y CB 1.001 39.358 38.460 -0.172 0.000 1.195 203 Y HN 0.032 nan 8.280 nan 0.000 0.497 204 N N 4.301 122.542 118.700 -0.766 0.000 2.594 204 N HA 0.316 5.056 4.740 -0.001 0.000 0.280 204 N C 0.122 175.221 175.510 -0.685 0.000 1.156 204 N CA 0.258 52.941 53.050 -0.612 0.000 0.831 204 N CB 1.311 39.685 38.487 -0.188 0.000 1.379 204 N HN 0.803 nan 8.380 nan 0.000 0.536 205 A N 3.115 125.400 122.820 -0.891 0.000 2.009 205 A HA -0.176 4.144 4.320 -0.001 0.000 0.222 205 A C 1.929 179.363 177.584 -0.250 0.000 1.175 205 A CA 2.253 54.027 52.037 -0.438 0.000 0.651 205 A CB -0.775 18.096 19.000 -0.216 0.000 0.815 205 A HN 0.763 nan 8.150 nan 0.000 0.459 206 A N -0.622 122.060 122.820 -0.231 0.000 2.216 206 A HA -0.023 4.296 4.320 -0.001 0.000 0.214 206 A C 1.460 178.882 177.584 -0.269 0.000 1.160 206 A CA 1.194 53.100 52.037 -0.219 0.000 0.725 206 A CB -0.348 18.585 19.000 -0.113 0.000 0.784 206 A HN 0.689 nan 8.150 nan 0.000 0.472 207 E N -2.190 117.899 120.200 -0.184 0.000 2.451 207 E HA 0.118 4.468 4.350 -0.001 0.000 0.194 207 E C -1.256 175.108 176.600 -0.393 0.000 1.027 207 E CA -0.336 55.951 56.400 -0.188 0.000 0.914 207 E CB 0.217 29.893 29.700 -0.041 0.000 1.054 207 E HN 0.712 nan 8.360 nan 0.000 0.461 208 W N 0.272 121.292 121.300 -0.467 0.000 2.839 208 W HA 0.470 5.130 4.660 -0.001 0.000 0.334 208 W C -0.729 175.406 176.519 -0.640 0.000 1.064 208 W CA -0.598 56.543 57.345 -0.341 0.000 1.236 208 W CB 0.987 30.371 29.460 -0.127 0.000 1.405 208 W HN -0.158 nan 8.180 nan 0.000 0.478 209 F N 1.289 121.201 119.950 -0.064 0.000 2.577 209 F HA 0.422 4.948 4.527 -0.001 0.000 0.318 209 F C 0.311 176.163 175.800 0.086 0.000 1.065 209 F CA -1.421 56.538 58.000 -0.067 0.000 0.929 209 F CB 1.712 40.471 39.000 -0.403 0.000 1.237 209 F HN 0.226 nan 8.300 nan 0.000 0.468 210 Q N 0.516 120.510 119.800 0.325 0.000 2.293 210 Q HA 0.350 4.689 4.340 -0.001 0.000 0.251 210 Q C 0.339 176.564 176.000 0.375 0.000 0.930 210 Q CA -0.556 55.294 55.803 0.079 0.000 0.893 210 Q CB 1.700 30.350 28.738 -0.148 0.000 1.215 210 Q HN 0.561 nan 8.270 nan 0.000 0.425 211 V N 1.298 121.456 119.914 0.405 0.000 2.358 211 V HA -0.162 3.958 4.120 -0.001 0.000 0.246 211 V C 0.815 177.039 176.094 0.217 0.000 1.047 211 V CA 1.973 64.533 62.300 0.433 0.000 1.035 211 V CB -0.486 31.511 31.823 0.291 0.000 0.658 211 V HN 1.048 nan 8.190 nan 0.000 0.452 212 S N -2.503 113.266 115.700 0.115 0.000 2.669 212 S HA 0.217 4.686 4.470 -0.001 0.000 0.266 212 S C -0.688 173.931 174.600 0.031 0.000 1.149 212 S CA -0.410 57.830 58.200 0.068 0.000 0.842 212 S CB 1.043 64.267 63.200 0.041 0.000 1.160 212 S HN 0.119 nan 8.310 nan 0.000 0.487 213 D N 0.865 121.285 120.400 0.034 0.000 2.325 213 D HA 0.187 4.827 4.640 -0.001 0.000 0.225 213 D C 0.244 176.566 176.300 0.037 0.000 1.096 213 D CA 0.195 54.215 54.000 0.033 0.000 0.844 213 D CB 0.174 41.001 40.800 0.044 0.000 0.925 213 D HN 0.550 nan 8.370 nan 0.000 0.513 214 E N 1.105 121.321 120.200 0.027 0.000 2.383 214 E HA 0.182 4.531 4.350 -0.001 0.000 0.264 214 E C -0.080 176.538 176.600 0.031 0.000 1.050 214 E CA 0.078 56.495 56.400 0.028 0.000 0.896 214 E CB 0.783 30.489 29.700 0.010 0.000 0.982 214 E HN 0.059 nan 8.360 nan 0.000 0.424 215 T N -0.328 114.253 114.554 0.045 0.000 2.864 215 T HA 0.673 5.023 4.350 -0.001 0.000 0.299 215 T C -0.456 174.271 174.700 0.044 0.000 1.166 215 T CA -0.685 61.444 62.100 0.050 0.000 1.007 215 T CB 1.311 70.225 68.868 0.077 0.000 1.219 215 T HN 0.507 nan 8.240 nan 0.000 0.506 216 A N 0.842 123.684 122.820 0.037 0.000 2.366 216 A HA 0.784 5.103 4.320 -0.001 0.000 0.249 216 A C 0.825 178.429 177.584 0.034 0.000 1.084 216 A CA -0.127 51.923 52.037 0.022 0.000 0.794 216 A CB -0.485 18.520 19.000 0.008 0.000 1.034 216 A HN 1.561 nan 8.150 nan 0.000 0.491 217 A N 0.041 122.871 122.820 0.017 0.000 2.239 217 A HA 0.675 4.995 4.320 -0.001 0.000 0.303 217 A C -0.443 177.133 177.584 -0.014 0.000 1.114 217 A CA -0.411 51.637 52.037 0.019 0.000 0.871 217 A CB 0.578 19.581 19.000 0.005 0.000 1.201 217 A HN 1.211 nan 8.150 nan 0.000 0.506 218 V N 0.676 120.586 119.914 -0.007 0.000 2.531 218 V HA 0.560 4.679 4.120 -0.001 0.000 0.301 218 V C -0.245 175.856 176.094 0.011 0.000 1.034 218 V CA -0.562 61.688 62.300 -0.083 0.000 0.865 218 V CB 1.432 33.085 31.823 -0.284 0.000 0.995 218 V HN 0.905 nan 8.190 nan 0.000 0.424 219 K N 2.914 123.286 120.400 -0.046 0.000 2.468 219 K HA 0.822 5.141 4.320 -0.001 0.000 0.252 219 K C -0.443 176.132 176.600 -0.042 0.000 0.932 219 K CA -0.022 56.257 56.287 -0.014 0.000 0.794 219 K CB 2.388 34.866 32.500 -0.037 0.000 1.241 219 K HN 1.092 nan 8.250 nan 0.000 0.428 220 G N 1.883 110.678 108.800 -0.008 0.000 2.350 220 G HA2 0.149 4.109 3.960 -0.001 0.000 0.304 220 G HA3 0.149 4.109 3.960 -0.001 0.000 0.304 220 G C -2.333 172.556 174.900 -0.018 0.000 1.421 220 G CA -1.085 43.990 45.100 -0.041 0.000 0.934 220 G HN 0.467 nan 8.290 nan 0.000 0.632 221 L N 0.565 121.767 121.223 -0.036 0.000 2.325 221 L HA 0.731 5.070 4.340 -0.001 0.000 0.284 221 L C -0.177 176.644 176.870 -0.082 0.000 1.089 221 L CA -0.047 54.778 54.840 -0.026 0.000 0.836 221 L CB 0.133 42.177 42.059 -0.025 0.000 1.184 221 L HN 0.444 nan 8.230 nan 0.000 0.444 222 L N 4.710 125.877 121.223 -0.093 0.000 2.388 222 L HA 0.558 4.898 4.340 -0.001 0.000 0.264 222 L C -0.495 176.202 176.870 -0.288 0.000 0.998 222 L CA -0.840 53.831 54.840 -0.282 0.000 0.817 222 L CB 2.040 43.783 42.059 -0.526 0.000 1.338 222 L HN 0.423 nan 8.230 nan 0.000 0.414 223 K N 2.069 122.264 120.400 -0.342 0.000 2.307 223 K HA 0.559 4.878 4.320 -0.001 0.000 0.263 223 K C -1.572 174.867 176.600 -0.270 0.000 0.973 223 K CA -0.379 55.805 56.287 -0.172 0.000 0.846 223 K CB 0.821 33.282 32.500 -0.065 0.000 1.100 223 K HN 0.293 nan 8.250 nan 0.000 0.438 224 F N 2.039 122.039 119.950 0.084 0.000 2.420 224 F HA 0.313 4.840 4.527 -0.001 0.000 0.342 224 F C 0.240 176.255 175.800 0.359 0.000 1.113 224 F CA -0.559 57.560 58.000 0.198 0.000 1.059 224 F CB 2.159 41.301 39.000 0.237 0.000 1.128 224 F HN 0.301 nan 8.300 nan 0.000 0.475 225 T N 4.966 119.784 114.554 0.440 0.000 2.809 225 T HA 0.551 4.901 4.350 -0.001 0.000 0.284 225 T C -0.479 174.399 174.700 0.296 0.000 0.992 225 T CA -0.568 61.749 62.100 0.360 0.000 0.957 225 T CB 0.921 69.912 68.868 0.204 0.000 0.942 225 T HN 0.329 nan 8.240 nan 0.000 0.439 226 L N 2.863 124.231 121.223 0.242 0.000 2.317 226 L HA 0.518 4.858 4.340 -0.001 0.000 0.281 226 L C -0.080 176.927 176.870 0.229 0.000 1.024 226 L CA -0.755 54.174 54.840 0.149 0.000 0.810 226 L CB 1.397 43.387 42.059 -0.115 0.000 1.240 226 L HN 0.567 nan 8.230 nan 0.000 0.427 227 D N 2.692 123.205 120.400 0.189 0.000 2.464 227 D HA 0.063 4.703 4.640 -0.001 0.000 0.243 227 D C -0.071 176.330 176.300 0.167 0.000 1.104 227 D CA -0.283 53.819 54.000 0.169 0.000 0.883 227 D CB 0.922 41.773 40.800 0.084 0.000 1.050 227 D HN 0.563 nan 8.370 nan 0.000 0.524 228 W N 3.000 124.333 121.300 0.056 0.000 3.290 228 W HA -0.023 4.637 4.660 -0.001 0.000 0.287 228 W C 1.188 177.723 176.519 0.026 0.000 1.288 228 W CA -0.095 57.257 57.345 0.013 0.000 1.725 228 W CB 0.495 29.980 29.460 0.042 0.000 1.103 228 W HN 0.332 nan 8.180 nan 0.000 0.670 229 S N 0.728 116.519 115.700 0.152 0.000 2.392 229 S HA -0.281 4.189 4.470 -0.001 0.000 0.232 229 S C 0.996 175.608 174.600 0.019 0.000 1.041 229 S CA 1.536 59.787 58.200 0.085 0.000 1.026 229 S CB -0.317 62.914 63.200 0.052 0.000 0.845 229 S HN 0.228 nan 8.310 nan 0.000 0.465 230 N N 0.714 119.381 118.700 -0.055 0.000 3.271 230 N HA 0.500 5.240 4.740 -0.001 0.000 0.303 230 N C 0.828 176.215 175.510 -0.204 0.000 1.415 230 N CA 0.378 53.370 53.050 -0.097 0.000 1.159 230 N CB -0.113 38.316 38.487 -0.096 0.000 1.432 230 N HN 0.188 nan 8.380 nan 0.000 0.521 231 A N 2.361 125.074 122.820 -0.179 0.000 1.886 231 A HA -0.260 4.060 4.320 -0.001 0.000 0.240 231 A C -0.225 177.166 177.584 -0.321 0.000 1.875 231 A CA 2.296 54.172 52.037 -0.269 0.000 0.760 231 A CB -1.849 17.170 19.000 0.032 0.000 0.849 231 A HN 0.581 nan 8.150 nan 0.000 0.505 232 P HA -0.021 nan 4.420 nan 0.000 0.219 232 P C 0.258 177.491 177.300 -0.111 0.000 1.146 232 P CA 1.579 64.634 63.100 -0.075 0.000 0.808 232 P CB -0.086 31.590 31.700 -0.041 0.000 0.779 233 S N 0.455 116.040 115.700 -0.192 0.000 2.158 233 S HA 0.398 4.867 4.470 -0.001 0.000 0.160 233 S C -2.597 171.826 174.600 -0.294 0.000 1.693 233 S CA -1.034 57.055 58.200 -0.186 0.000 1.251 233 S CB 0.988 64.111 63.200 -0.127 0.000 1.153 233 S HN 0.048 nan 8.310 nan 0.000 0.439 234 P HA 0.229 nan 4.420 nan 0.000 0.270 234 P C -0.658 176.491 177.300 -0.251 0.000 1.223 234 P CA -0.365 62.368 63.100 -0.612 0.000 0.785 234 P CB 0.483 31.410 31.700 -1.287 0.000 0.923 235 I N 1.827 122.321 120.570 -0.127 0.000 2.509 235 I HA 0.379 4.549 4.170 -0.001 0.000 0.293 235 I C -0.293 175.873 176.117 0.081 0.000 1.020 235 I CA -0.777 60.516 61.300 -0.012 0.000 1.088 235 I CB 1.293 39.291 38.000 -0.003 0.000 1.267 235 I HN 0.234 nan 8.210 nan 0.000 0.430 236 L N 7.463 128.784 121.223 0.165 0.000 2.346 236 L HA 0.754 5.094 4.340 -0.001 0.000 0.276 236 L C -1.090 175.907 176.870 0.212 0.000 1.006 236 L CA -0.384 54.591 54.840 0.225 0.000 0.817 236 L CB 1.902 44.138 42.059 0.296 0.000 1.272 236 L HN 0.298 nan 8.230 nan 0.000 0.421 237 V N 5.342 125.367 119.914 0.185 0.000 2.623 237 V HA 0.526 4.646 4.120 -0.001 0.000 0.304 237 V C -0.850 175.292 176.094 0.079 0.000 1.054 237 V CA -0.702 61.670 62.300 0.119 0.000 0.882 237 V CB 1.963 33.840 31.823 0.090 0.000 1.002 237 V HN 0.596 nan 8.190 nan 0.000 0.424 238 V N 5.247 125.153 119.914 -0.015 0.000 2.513 238 V HA 0.933 5.053 4.120 -0.001 0.000 0.299 238 V C 0.026 176.017 176.094 -0.173 0.000 1.035 238 V CA 0.269 62.446 62.300 -0.204 0.000 0.889 238 V CB 2.122 33.756 31.823 -0.315 0.000 0.988 238 V HN 1.141 nan 8.190 nan 0.000 0.440 239 S N 3.280 118.843 115.700 -0.228 0.000 2.697 239 S HA 0.580 5.049 4.470 -0.001 0.000 0.289 239 S C -0.396 174.092 174.600 -0.186 0.000 1.149 239 S CA -0.713 57.396 58.200 -0.151 0.000 0.850 239 S CB 1.678 64.827 63.200 -0.085 0.000 1.151 239 S HN 0.731 nan 8.310 nan 0.000 0.491 240 T N 1.803 116.279 114.554 -0.130 0.000 2.888 240 T HA 0.498 4.848 4.350 -0.001 0.000 0.301 240 T C 0.761 175.399 174.700 -0.104 0.000 1.001 240 T CA 0.302 62.329 62.100 -0.123 0.000 1.147 240 T CB 0.150 68.966 68.868 -0.087 0.000 0.931 240 T HN 0.911 nan 8.240 nan 0.000 0.541 241 G N 1.179 109.916 108.800 -0.104 0.000 2.502 241 G HA2 0.472 4.432 3.960 -0.001 0.000 0.305 241 G HA3 0.472 4.432 3.960 -0.001 0.000 0.305 241 G C 0.917 175.788 174.900 -0.048 0.000 1.190 241 G CA -0.188 44.870 45.100 -0.070 0.000 0.933 241 G HN 0.752 nan 8.290 nan 0.000 0.503 242 T N -3.209 111.325 114.554 -0.034 0.000 3.028 242 T HA 0.331 4.680 4.350 -0.001 0.000 0.250 242 T C 0.585 175.273 174.700 -0.019 0.000 0.979 242 T CA 0.202 62.286 62.100 -0.027 0.000 1.004 242 T CB 0.457 69.310 68.868 -0.026 0.000 1.120 242 T HN 0.329 nan 8.240 nan 0.000 0.482 243 K N 1.466 121.856 120.400 -0.016 0.000 2.513 243 K HA 0.744 5.063 4.320 -0.001 0.000 0.251 243 K C -1.341 175.260 176.600 0.002 0.000 0.939 243 K CA -0.544 55.737 56.287 -0.009 0.000 0.793 243 K CB 2.190 34.681 32.500 -0.015 0.000 1.241 243 K HN 0.380 nan 8.250 nan 0.000 0.431 244 A N 3.713 126.542 122.820 0.015 0.000 2.450 244 A HA 0.244 4.564 4.320 -0.001 0.000 0.255 244 A C -0.112 177.496 177.584 0.039 0.000 1.096 244 A CA -0.013 52.047 52.037 0.037 0.000 0.778 244 A CB 0.081 19.109 19.000 0.046 0.000 1.031 244 A HN 0.646 nan 8.150 nan 0.000 0.494 245 D N 1.373 121.810 120.400 0.061 0.000 2.344 245 D HA 0.200 4.839 4.640 -0.001 0.000 0.244 245 D C 0.163 176.537 176.300 0.122 0.000 1.134 245 D CA 0.085 54.128 54.000 0.072 0.000 0.930 245 D CB 0.701 41.569 40.800 0.114 0.000 1.175 245 D HN 0.498 nan 8.370 nan 0.000 0.437 246 E N 0.766 121.048 120.200 0.136 0.000 2.343 246 E HA 0.083 4.432 4.350 -0.001 0.000 0.269 246 E C -0.559 176.155 176.600 0.190 0.000 1.047 246 E CA -0.440 56.041 56.400 0.134 0.000 0.874 246 E CB 0.680 30.445 29.700 0.109 0.000 1.033 246 E HN 0.209 nan 8.360 nan 0.000 0.409 247 D N 2.020 122.486 120.400 0.110 0.000 2.520 247 D HA -0.105 4.535 4.640 -0.001 0.000 0.243 247 D C 0.446 176.768 176.300 0.038 0.000 1.160 247 D CA 0.351 54.387 54.000 0.060 0.000 0.877 247 D CB 0.138 40.958 40.800 0.034 0.000 1.150 247 D HN 0.197 nan 8.370 nan 0.000 0.494 248 N N 3.954 122.576 118.700 -0.130 0.000 2.223 248 N HA -0.080 4.659 4.740 -0.001 0.000 0.271 248 N C -1.384 174.074 175.510 -0.087 0.000 1.315 248 N CA -0.887 51.981 53.050 -0.303 0.000 0.835 248 N CB 0.875 38.958 38.487 -0.673 0.000 1.066 248 N HN 0.229 nan 8.380 nan 0.000 0.486 249 P HA -0.062 nan 4.420 nan 0.000 0.225 249 P C -0.063 177.237 177.300 -0.001 0.000 1.156 249 P CA 0.596 63.709 63.100 0.021 0.000 0.787 249 P CB 0.252 31.986 31.700 0.055 0.000 0.802 250 D N 1.449 121.835 120.400 -0.023 0.000 2.402 250 D HA 0.038 4.678 4.640 -0.001 0.000 0.235 250 D C 0.866 177.139 176.300 -0.044 0.000 1.226 250 D CA 0.103 54.088 54.000 -0.026 0.000 0.918 250 D CB 0.249 41.034 40.800 -0.025 0.000 1.043 250 D HN 0.011 nan 8.370 nan 0.000 0.506 251 T N 0.520 115.064 114.554 -0.017 0.000 3.272 251 T HA 0.257 4.606 4.350 -0.001 0.000 0.250 251 T C 1.082 175.790 174.700 0.012 0.000 1.082 251 T CA -0.482 61.618 62.100 -0.000 0.000 0.968 251 T CB -0.138 68.738 68.868 0.013 0.000 1.015 251 T HN 0.263 nan 8.240 nan 0.000 0.563 252 G N 1.351 110.149 108.800 -0.003 0.000 2.414 252 G HA2 0.331 4.291 3.960 -0.001 0.000 0.236 252 G HA3 0.331 4.291 3.960 -0.001 0.000 0.236 252 G C 0.968 175.877 174.900 0.014 0.000 1.293 252 G CA 0.139 45.241 45.100 0.003 0.000 0.869 252 G HN 0.442 nan 8.290 nan 0.000 0.556 253 T N -1.151 113.422 114.554 0.032 0.000 3.044 253 T HA 0.044 4.394 4.350 -0.001 0.000 0.250 253 T C 0.687 175.400 174.700 0.022 0.000 1.081 253 T CA 0.349 62.487 62.100 0.063 0.000 1.040 253 T CB -0.069 68.838 68.868 0.065 0.000 0.962 253 T HN 0.607 nan 8.240 nan 0.000 0.506 254 D N 2.828 123.228 120.400 0.000 0.000 2.382 254 D HA 0.001 4.640 4.640 -0.001 0.000 0.259 254 D C -0.001 176.277 176.300 -0.037 0.000 1.224 254 D CA -0.187 53.806 54.000 -0.012 0.000 0.894 254 D CB 0.104 40.901 40.800 -0.005 0.000 1.127 254 D HN 0.179 nan 8.370 nan 0.000 0.487 255 N N -0.153 118.511 118.700 -0.059 0.000 2.708 255 N HA -0.191 4.548 4.740 -0.001 0.000 0.251 255 N C -0.153 175.236 175.510 -0.202 0.000 1.123 255 N CA 1.038 54.019 53.050 -0.115 0.000 0.739 255 N CB -1.253 37.205 38.487 -0.048 0.000 1.113 255 N HN 0.756 nan 8.380 nan 0.000 0.561 256 A N 0.351 123.049 122.820 -0.202 0.000 2.371 256 A HA 0.469 4.789 4.320 -0.001 0.000 0.257 256 A C 0.558 177.785 177.584 -0.595 0.000 1.089 256 A CA 0.227 52.044 52.037 -0.367 0.000 0.794 256 A CB 0.767 19.556 19.000 -0.351 0.000 1.029 256 A HN 0.083 nan 8.150 nan 0.000 0.488 257 K N 1.029 120.945 120.400 -0.807 0.000 2.316 257 K HA 0.554 4.874 4.320 -0.001 0.000 0.251 257 K C -1.678 174.608 176.600 -0.525 0.000 0.934 257 K CA -0.159 55.663 56.287 -0.775 0.000 0.802 257 K CB 1.637 33.382 32.500 -1.258 0.000 1.171 257 K HN 0.665 nan 8.250 nan 0.000 0.426 258 Y N 0.487 120.796 120.300 0.014 0.000 2.536 258 Y HA 0.476 5.026 4.550 -0.001 0.000 0.347 258 Y C -0.307 175.783 175.900 0.316 0.000 1.000 258 Y CA -1.365 56.840 58.100 0.176 0.000 1.051 258 Y CB 1.725 40.194 38.460 0.015 0.000 1.259 258 Y HN 0.335 nan 8.280 nan 0.000 0.468 259 L N 2.922 124.380 121.223 0.393 0.000 2.282 259 L HA 0.466 4.806 4.340 -0.001 0.000 0.288 259 L C -1.753 175.301 176.870 0.307 0.000 1.033 259 L CA -0.795 54.219 54.840 0.290 0.000 0.807 259 L CB 0.429 42.450 42.059 -0.064 0.000 1.209 259 L HN 0.617 nan 8.230 nan 0.000 0.423 260 Y N 6.530 126.968 120.300 0.230 0.000 2.331 260 Y HA 0.635 5.184 4.550 -0.001 0.000 0.334 260 Y C -1.249 174.835 175.900 0.307 0.000 0.960 260 Y CA -0.535 57.686 58.100 0.201 0.000 1.130 260 Y CB 1.008 39.650 38.460 0.303 0.000 1.164 260 Y HN 0.668 nan 8.280 nan 0.000 0.458 261 Y N 2.796 122.874 120.300 -0.370 0.000 2.853 261 Y HA 0.769 5.319 4.550 -0.001 0.000 0.326 261 Y C 0.433 176.081 175.900 -0.420 0.000 1.384 261 Y CA -1.313 56.497 58.100 -0.484 0.000 1.077 261 Y CB 0.174 38.306 38.460 -0.546 0.000 1.395 261 Y HN 0.934 nan 8.280 nan 0.000 0.451 262 G N 0.881 109.549 108.800 -0.219 0.000 2.602 262 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.306 262 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.306 262 G C -0.391 174.602 174.900 0.155 0.000 1.301 262 G CA 0.492 45.571 45.100 -0.035 0.000 0.974 262 G HN 0.942 nan 8.290 nan 0.000 0.547 263 E N 1.550 121.759 120.200 0.015 0.000 1.979 263 E HA 0.333 4.683 4.350 -0.001 0.000 0.285 263 E C 0.185 176.754 176.600 -0.052 0.000 1.188 263 E CA 0.535 56.951 56.400 0.026 0.000 1.214 263 E CB -0.038 29.672 29.700 0.017 0.000 1.210 263 E HN 0.576 nan 8.360 nan 0.000 0.477 264 D N 1.511 121.859 120.400 -0.086 0.000 2.723 264 D HA -0.162 4.478 4.640 -0.001 0.000 0.236 264 D C -0.787 175.410 176.300 -0.171 0.000 1.138 264 D CA 0.358 54.333 54.000 -0.042 0.000 0.676 264 D CB -0.556 40.322 40.800 0.130 0.000 1.069 264 D HN 0.286 nan 8.370 nan 0.000 0.430 265 I N 0.739 121.007 120.570 -0.502 0.000 2.325 265 I HA 0.260 4.429 4.170 -0.001 0.000 0.291 265 I C 0.571 176.400 176.117 -0.480 0.000 1.019 265 I CA -0.570 60.408 61.300 -0.536 0.000 1.302 265 I CB 0.967 38.399 38.000 -0.945 0.000 1.401 265 I HN 0.307 nan 8.210 nan 0.000 0.485 266 C N 8.192 127.399 119.300 -0.155 0.000 2.344 266 C HA 0.504 4.963 4.460 -0.001 0.000 0.326 266 C C -0.189 174.830 174.990 0.048 0.000 1.201 266 C CA -0.607 58.430 59.018 0.031 0.000 1.410 266 C CB 0.203 28.003 27.740 0.101 0.000 2.070 266 C HN 0.632 nan 8.230 nan 0.000 0.445 267 K N 4.072 124.522 120.400 0.083 0.000 2.221 267 K HA 0.368 4.688 4.320 -0.001 0.000 0.258 267 K C -0.505 176.160 176.600 0.107 0.000 0.944 267 K CA -0.441 55.893 56.287 0.078 0.000 0.823 267 K CB 2.004 34.524 32.500 0.033 0.000 1.113 267 K HN 0.710 nan 8.250 nan 0.000 0.431 268 K N 2.737 123.157 120.400 0.034 0.000 2.276 268 K HA 0.216 4.536 4.320 -0.001 0.000 0.283 268 K C -0.455 176.023 176.600 -0.203 0.000 1.044 268 K CA -0.361 55.820 56.287 -0.176 0.000 0.944 268 K CB 0.412 32.754 32.500 -0.264 0.000 1.012 268 K HN 0.231 nan 8.250 nan 0.000 0.472 269 F N 2.535 122.338 119.950 -0.246 0.000 2.472 269 F HA 0.098 4.625 4.527 -0.001 0.000 0.312 269 F C 0.220 175.953 175.800 -0.111 0.000 1.256 269 F CA 0.366 58.332 58.000 -0.057 0.000 1.275 269 F CB 0.344 39.368 39.000 0.041 0.000 1.228 269 F HN 0.432 nan 8.300 nan 0.000 0.567 270 Y N 0.520 120.995 120.300 0.292 0.000 2.328 270 Y HA 0.171 4.721 4.550 -0.001 0.000 0.337 270 Y C 0.018 175.986 175.900 0.114 0.000 1.008 270 Y CA -0.885 57.304 58.100 0.149 0.000 1.129 270 Y CB 0.844 39.356 38.460 0.088 0.000 1.185 270 Y HN 0.345 nan 8.280 nan 0.000 0.476 271 D N 3.634 124.108 120.400 0.123 0.000 2.339 271 D HA 0.062 4.702 4.640 -0.001 0.000 0.256 271 D C 0.022 176.256 176.300 -0.109 0.000 1.214 271 D CA 0.072 53.966 54.000 -0.176 0.000 0.877 271 D CB 0.923 41.631 40.800 -0.154 0.000 1.111 271 D HN 0.497 nan 8.370 nan 0.000 0.478 272 K N 2.430 122.716 120.400 -0.190 0.000 2.437 272 K HA 0.293 4.613 4.320 -0.001 0.000 0.205 272 K C 0.807 177.336 176.600 -0.117 0.000 1.026 272 K CA -0.292 55.940 56.287 -0.091 0.000 1.153 272 K CB 0.350 32.824 32.500 -0.043 0.000 0.863 272 K HN 0.700 nan 8.250 nan 0.000 0.502 273 G N 2.485 111.178 108.800 -0.177 0.000 2.801 273 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.686 273 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.686 273 G C -0.042 174.787 174.900 -0.118 0.000 1.507 273 G CA -0.287 44.735 45.100 -0.130 0.000 0.980 273 G HN 0.372 nan 8.290 nan 0.000 0.589 274 N N 0.428 119.081 118.700 -0.079 0.000 2.780 274 N HA -0.204 4.535 4.740 -0.001 0.000 0.248 274 N C 0.694 176.189 175.510 -0.024 0.000 1.102 274 N CA 1.290 54.318 53.050 -0.037 0.000 0.697 274 N CB -0.890 37.583 38.487 -0.023 0.000 1.028 274 N HN 1.321 nan 8.380 nan 0.000 0.554 275 N N -1.154 117.516 118.700 -0.049 0.000 2.735 275 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 275 N C -0.733 174.819 175.510 0.071 0.000 1.083 275 N CA 1.022 54.112 53.050 0.068 0.000 0.703 275 N CB -0.725 37.882 38.487 0.199 0.000 1.005 275 N HN 0.462 nan 8.380 nan 0.000 0.550 276 I N 1.042 121.511 120.570 -0.168 0.000 2.406 276 I HA 0.319 4.489 4.170 -0.001 0.000 0.290 276 I C 0.090 176.055 176.117 -0.255 0.000 0.999 276 I CA -0.558 60.708 61.300 -0.057 0.000 1.124 276 I CB 0.950 38.936 38.000 -0.024 0.000 1.289 276 I HN -0.082 nan 8.210 nan 0.000 0.441 277 Y N 3.737 124.067 120.300 0.049 0.000 2.485 277 Y HA 0.605 5.155 4.550 -0.001 0.000 0.345 277 Y C 0.237 176.331 175.900 0.324 0.000 0.998 277 Y CA -0.764 57.396 58.100 0.101 0.000 1.059 277 Y CB 2.069 40.420 38.460 -0.181 0.000 1.234 277 Y HN 0.486 nan 8.280 nan 0.000 0.461 278 E N 2.042 122.618 120.200 0.626 0.000 2.343 278 E HA 0.692 5.042 4.350 -0.001 0.000 0.278 278 E C -2.261 174.611 176.600 0.454 0.000 0.910 278 E CA -0.872 55.847 56.400 0.532 0.000 0.757 278 E CB 2.512 32.373 29.700 0.269 0.000 1.218 278 E HN 0.538 nan 8.360 nan 0.000 0.435 279 L N 1.940 123.321 121.223 0.263 0.000 2.592 279 L HA 0.462 4.801 4.340 -0.001 0.000 0.258 279 L C -1.688 175.270 176.870 0.146 0.000 0.926 279 L CA -0.005 54.896 54.840 0.101 0.000 0.885 279 L CB 2.418 44.287 42.059 -0.316 0.000 1.380 279 L HN 0.525 nan 8.230 nan 0.000 0.415 280 T N 3.977 118.609 114.554 0.130 0.000 2.807 280 T HA 0.837 5.187 4.350 -0.001 0.000 0.279 280 T C -0.749 174.032 174.700 0.135 0.000 0.993 280 T CA -0.256 61.916 62.100 0.119 0.000 0.970 280 T CB 1.520 70.418 68.868 0.050 0.000 0.950 280 T HN 0.766 nan 8.240 nan 0.000 0.441 281 V N -0.465 119.553 119.914 0.173 0.000 3.206 281 V HA 0.619 4.739 4.120 -0.001 0.000 0.305 281 V C -1.245 174.931 176.094 0.135 0.000 1.257 281 V CA -1.176 61.220 62.300 0.161 0.000 1.057 281 V CB 2.382 34.330 31.823 0.207 0.000 1.075 281 V HN 0.660 nan 8.190 nan 0.000 0.443 282 D N 2.218 122.680 120.400 0.103 0.000 2.558 282 D HA 0.286 4.926 4.640 -0.001 0.000 0.221 282 D C -0.371 175.958 176.300 0.048 0.000 1.143 282 D CA 0.214 54.255 54.000 0.068 0.000 1.010 282 D CB 0.363 41.190 40.800 0.046 0.000 1.068 282 D HN 0.535 nan 8.370 nan 0.000 0.511 283 F N 1.929 121.796 119.950 -0.138 0.000 2.553 283 F HA 0.021 4.547 4.527 -0.001 0.000 0.356 283 F C 0.670 176.323 175.800 -0.245 0.000 1.142 283 F CA 0.411 58.205 58.000 -0.343 0.000 1.322 283 F CB 0.617 39.478 39.000 -0.232 0.000 1.126 283 F HN 0.170 nan 8.300 nan 0.000 0.599 284 E N 3.888 123.555 120.200 -0.888 0.000 2.558 284 E HA 0.270 4.619 4.350 -0.001 0.000 0.345 284 E C -1.935 174.321 176.600 -0.573 0.000 0.928 284 E CA -0.330 55.793 56.400 -0.461 0.000 0.774 284 E CB 0.737 30.333 29.700 -0.174 0.000 1.462 284 E HN 0.561 nan 8.360 nan 0.000 0.387 285 S N 2.086 117.463 115.700 -0.539 0.000 2.572 285 S HA 0.315 4.785 4.470 -0.001 0.000 0.274 285 S C 0.648 175.143 174.600 -0.176 0.000 1.150 285 S CA 0.137 58.080 58.200 -0.430 0.000 0.944 285 S CB 1.546 64.303 63.200 -0.739 0.000 1.071 285 S HN 0.569 nan 8.310 nan 0.000 0.479 286 T N 0.960 115.465 114.554 -0.083 0.000 3.014 286 T HA 0.044 4.394 4.350 -0.001 0.000 0.263 286 T C 1.526 176.311 174.700 0.141 0.000 1.078 286 T CA 0.523 62.657 62.100 0.057 0.000 1.135 286 T CB -0.270 68.671 68.868 0.121 0.000 0.895 286 T HN 0.845 nan 8.240 nan 0.000 0.480 287 W N 1.680 123.045 121.300 0.108 0.000 3.107 287 W HA 0.530 5.190 4.660 -0.001 0.000 0.293 287 W C 0.701 177.326 176.519 0.176 0.000 1.239 287 W CA -0.196 57.221 57.345 0.121 0.000 1.653 287 W CB -0.589 28.924 29.460 0.088 0.000 1.068 287 W HN 0.553 nan 8.180 nan 0.000 0.615 288 G N 2.310 110.914 108.800 -0.326 0.000 2.358 288 G HA2 0.093 4.052 3.960 -0.001 0.000 0.198 288 G HA3 0.093 4.052 3.960 -0.001 0.000 0.198 288 G C -1.272 173.247 174.900 -0.634 0.000 1.220 288 G CA -0.109 44.889 45.100 -0.170 0.000 1.187 288 G HN 0.732 nan 8.290 nan 0.000 0.544 289 L N -2.571 118.492 121.223 -0.267 0.000 2.765 289 L HA 0.984 5.324 4.340 -0.001 0.000 0.263 289 L C -0.784 176.283 176.870 0.328 0.000 1.068 289 L CA -1.122 53.677 54.840 -0.068 0.000 0.903 289 L CB 1.613 43.755 42.059 0.138 0.000 1.512 289 L HN 0.964 nan 8.230 nan 0.000 0.404 290 L N 0.748 122.274 121.223 0.504 0.000 2.409 290 L HA 0.652 4.992 4.340 -0.001 0.000 0.255 290 L C -1.305 175.836 176.870 0.452 0.000 1.027 290 L CA -0.775 54.378 54.840 0.522 0.000 0.834 290 L CB 2.384 44.855 42.059 0.686 0.000 1.426 290 L HN 0.466 nan 8.230 nan 0.000 0.411 291 I N 1.645 122.460 120.570 0.408 0.000 2.404 291 I HA 0.502 4.672 4.170 -0.001 0.000 0.293 291 I C -0.270 176.043 176.117 0.327 0.000 0.992 291 I CA -0.419 61.088 61.300 0.345 0.000 1.149 291 I CB 1.678 39.853 38.000 0.292 0.000 1.315 291 I HN 0.585 nan 8.210 nan 0.000 0.446 292 R N 2.691 123.316 120.500 0.209 0.000 2.803 292 R HA 0.542 4.882 4.340 -0.001 0.000 0.276 292 R C 0.470 176.820 176.300 0.083 0.000 0.978 292 R CA -0.561 55.590 56.100 0.087 0.000 0.939 292 R CB 1.833 31.993 30.300 -0.233 0.000 1.179 292 R HN 0.673 nan 8.270 nan 0.000 0.472 293 T N -3.203 111.384 114.554 0.054 0.000 3.134 293 T HA 0.161 4.510 4.350 -0.001 0.000 0.260 293 T C 0.271 175.000 174.700 0.049 0.000 1.027 293 T CA -0.326 61.770 62.100 -0.006 0.000 0.913 293 T CB 0.193 69.070 68.868 0.015 0.000 1.046 293 T HN 0.361 nan 8.240 nan 0.000 0.553 294 S N 1.648 117.306 115.700 -0.070 0.000 2.547 294 S HA 0.496 4.965 4.470 -0.001 0.000 0.270 294 S C -0.988 173.176 174.600 -0.728 0.000 1.150 294 S CA -0.651 57.390 58.200 -0.265 0.000 0.850 294 S CB 1.351 64.420 63.200 -0.219 0.000 1.118 294 S HN 0.330 nan 8.310 nan 0.000 0.461 295 N N 1.940 120.130 118.700 -0.849 0.000 2.299 295 N HA 0.294 5.034 4.740 -0.001 0.000 0.246 295 N C 0.079 175.294 175.510 -0.491 0.000 1.254 295 N CA 0.029 52.534 53.050 -0.908 0.000 0.879 295 N CB 0.518 38.232 38.487 -1.288 0.000 1.214 295 N HN 0.644 nan 8.380 nan 0.000 0.510 296 A N 0.179 122.776 122.820 -0.372 0.000 2.346 296 A HA 0.383 4.703 4.320 -0.001 0.000 0.252 296 A C 1.416 178.914 177.584 -0.143 0.000 1.089 296 A CA 0.102 52.028 52.037 -0.184 0.000 0.797 296 A CB 0.410 19.360 19.000 -0.083 0.000 1.047 296 A HN 0.278 nan 8.150 nan 0.000 0.494 297 S N 0.088 115.782 115.700 -0.010 0.000 2.370 297 S HA -0.125 4.345 4.470 -0.001 0.000 0.226 297 S C 0.536 175.249 174.600 0.188 0.000 1.033 297 S CA 1.188 59.434 58.200 0.078 0.000 1.011 297 S CB -0.413 62.843 63.200 0.093 0.000 0.852 297 S HN 0.633 nan 8.310 nan 0.000 0.457 298 F N 1.261 121.244 119.950 0.055 0.000 2.404 298 F HA 0.481 5.008 4.527 -0.000 0.000 0.345 298 F C -1.039 174.848 175.800 0.145 0.000 1.110 298 F CA -1.366 56.707 58.000 0.122 0.000 1.130 298 F CB 0.533 39.565 39.000 0.054 0.000 1.129 298 F HN 0.108 nan 8.300 nan 0.000 0.500 299 W N 8.240 129.044 121.300 -0.826 0.000 2.433 299 W HA 0.390 5.049 4.660 -0.001 0.000 0.331 299 W C -2.212 173.981 176.519 -0.542 0.000 1.110 299 W CA -2.299 54.713 57.345 -0.554 0.000 1.450 299 W CB -0.398 28.782 29.460 -0.468 0.000 1.348 299 W HN 0.406 nan 8.180 nan 0.000 0.415 300 P HA 0.086 nan 4.420 nan 0.000 0.272 300 P C 0.008 177.361 177.300 0.089 0.000 1.230 300 P CA -0.336 62.858 63.100 0.157 0.000 0.788 300 P CB 0.676 32.472 31.700 0.160 0.000 0.949 301 S N 0.565 116.327 115.700 0.104 0.000 2.549 301 S HA 0.360 4.830 4.470 -0.001 0.000 0.286 301 S C 1.285 175.914 174.600 0.048 0.000 1.314 301 S CA 0.267 58.504 58.200 0.062 0.000 1.062 301 S CB -0.451 62.785 63.200 0.061 0.000 0.865 301 S HN 1.016 nan 8.310 nan 0.000 0.498 302 G N 2.264 111.074 108.800 0.017 0.000 2.179 302 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.260 302 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.260 302 G C 0.692 175.602 174.900 0.016 0.000 0.977 302 G CA 0.800 45.891 45.100 -0.015 0.000 0.641 302 G HN 1.758 nan 8.290 nan 0.000 0.533 303 T N -2.303 112.294 114.554 0.071 0.000 3.086 303 T HA 0.424 4.774 4.350 -0.001 0.000 0.250 303 T C 0.688 175.502 174.700 0.190 0.000 1.074 303 T CA 0.966 63.149 62.100 0.139 0.000 0.988 303 T CB 0.441 69.325 68.868 0.026 0.000 0.988 303 T HN 0.568 nan 8.240 nan 0.000 0.530 304 K N 0.753 121.246 120.400 0.155 0.000 2.265 304 K HA 0.418 4.737 4.320 -0.001 0.000 0.267 304 K C -1.738 174.945 176.600 0.137 0.000 0.994 304 K CA -0.853 55.596 56.287 0.270 0.000 0.860 304 K CB 0.722 33.431 32.500 0.348 0.000 1.099 304 K HN 0.177 nan 8.250 nan 0.000 0.448 305 Y N 1.881 122.318 120.300 0.229 0.000 2.335 305 Y HA 0.547 5.096 4.550 -0.001 0.000 0.338 305 Y C 0.726 176.768 175.900 0.237 0.000 0.977 305 Y CA -0.164 58.061 58.100 0.209 0.000 1.114 305 Y CB 2.339 40.938 38.460 0.231 0.000 1.182 305 Y HN 0.838 nan 8.280 nan 0.000 0.463 306 G N 0.551 109.538 108.800 0.312 0.000 2.871 306 G HA2 0.669 4.629 3.960 -0.001 0.000 0.282 306 G HA3 0.669 4.629 3.960 -0.001 0.000 0.282 306 G C -1.513 173.588 174.900 0.335 0.000 1.212 306 G CA -0.569 44.727 45.100 0.325 0.000 0.812 306 G HN 0.711 nan 8.290 nan 0.000 0.547 307 A N -0.256 122.768 122.820 0.340 0.000 2.316 307 A HA 0.563 4.883 4.320 -0.001 0.000 0.284 307 A C 1.543 179.218 177.584 0.151 0.000 1.115 307 A CA 0.674 52.915 52.037 0.339 0.000 0.812 307 A CB 0.901 20.174 19.000 0.455 0.000 1.064 307 A HN 1.581 nan 8.150 nan 0.000 0.489 308 S N 0.765 116.503 115.700 0.064 0.000 2.442 308 S HA 0.076 4.546 4.470 -0.001 0.000 0.236 308 S C 0.739 175.365 174.600 0.043 0.000 1.007 308 S CA 0.851 59.066 58.200 0.024 0.000 0.965 308 S CB -0.716 62.471 63.200 -0.023 0.000 0.773 308 S HN 1.941 nan 8.310 nan 0.000 0.504 309 S N -1.092 114.653 115.700 0.075 0.000 2.611 309 S HA 0.495 4.965 4.470 -0.001 0.000 0.268 309 S C 0.377 175.040 174.600 0.106 0.000 1.156 309 S CA -0.279 57.966 58.200 0.075 0.000 0.817 309 S CB 0.931 64.162 63.200 0.052 0.000 1.122 309 S HN -0.008 nan 8.310 nan 0.000 0.466 310 S N 1.468 117.225 115.700 0.094 0.000 2.419 310 S HA -0.126 4.343 4.470 -0.001 0.000 0.233 310 S C 2.091 176.756 174.600 0.109 0.000 1.016 310 S CA 1.617 59.880 58.200 0.105 0.000 0.974 310 S CB -0.733 62.522 63.200 0.091 0.000 0.786 310 S HN 1.039 nan 8.310 nan 0.000 0.492 311 S N 1.458 117.215 115.700 0.095 0.000 2.383 311 S HA -0.044 4.426 4.470 -0.001 0.000 0.227 311 S C 0.571 175.238 174.600 0.111 0.000 1.026 311 S CA 0.471 58.724 58.200 0.089 0.000 0.981 311 S CB -0.405 62.834 63.200 0.065 0.000 0.818 311 S HN 0.327 nan 8.310 nan 0.000 0.472 312 E N 2.411 122.695 120.200 0.140 0.000 2.292 312 E HA 0.387 4.737 4.350 -0.001 0.000 0.265 312 E C -0.509 176.282 176.600 0.318 0.000 1.093 312 E CA 0.273 56.804 56.400 0.219 0.000 0.922 312 E CB 0.576 30.396 29.700 0.200 0.000 1.001 312 E HN 0.309 nan 8.360 nan 0.000 0.444 313 K N 1.421 121.971 120.400 0.251 0.000 2.185 313 K HA 0.454 4.774 4.320 -0.001 0.000 0.240 313 K C -0.750 175.889 176.600 0.064 0.000 0.983 313 K CA -0.933 55.424 56.287 0.117 0.000 0.873 313 K CB 1.010 33.559 32.500 0.081 0.000 1.118 313 K HN 0.246 nan 8.250 nan 0.000 0.441 314 L N 1.798 122.888 121.223 -0.221 0.000 2.272 314 L HA 0.654 4.994 4.340 -0.001 0.000 0.289 314 L C -1.094 175.726 176.870 -0.084 0.000 1.032 314 L CA -0.018 54.627 54.840 -0.325 0.000 0.810 314 L CB 0.840 42.428 42.059 -0.785 0.000 1.205 314 L HN 0.659 nan 8.230 nan 0.000 0.422 315 A N 5.473 128.303 122.820 0.016 0.000 2.340 315 A HA 0.661 4.981 4.320 -0.001 0.000 0.331 315 A C -0.591 177.018 177.584 0.041 0.000 1.140 315 A CA -0.802 51.267 52.037 0.053 0.000 0.801 315 A CB 0.743 19.777 19.000 0.057 0.000 1.234 315 A HN 0.748 nan 8.150 nan 0.000 0.469 316 L N 1.987 123.232 121.223 0.037 0.000 2.514 316 L HA 0.008 4.348 4.340 -0.001 0.000 0.280 316 L C 0.285 177.157 176.870 0.004 0.000 1.223 316 L CA 0.048 54.890 54.840 0.004 0.000 0.864 316 L CB 0.013 42.060 42.059 -0.020 0.000 1.118 316 L HN 0.896 nan 8.230 nan 0.000 0.494 317 N N 1.027 119.724 118.700 -0.005 0.000 2.710 317 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 317 N C -0.568 174.956 175.510 0.022 0.000 1.059 317 N CA 0.939 53.992 53.050 0.005 0.000 0.720 317 N CB -0.931 37.553 38.487 -0.004 0.000 0.983 317 N HN 0.444 nan 8.380 nan 0.000 0.544 318 K N 1.078 121.502 120.400 0.040 0.000 2.507 318 K HA 0.298 4.618 4.320 -0.001 0.000 0.251 318 K C -1.488 175.165 176.600 0.088 0.000 0.943 318 K CA -0.655 55.666 56.287 0.055 0.000 0.794 318 K CB 1.056 33.592 32.500 0.059 0.000 1.188 318 K HN -0.132 nan 8.250 nan 0.000 0.428 319 D N 3.052 123.495 120.400 0.072 0.000 2.472 319 D HA -0.004 4.635 4.640 -0.001 0.000 0.248 319 D C -0.749 175.623 176.300 0.120 0.000 1.174 319 D CA 0.596 54.645 54.000 0.081 0.000 0.883 319 D CB -0.064 40.755 40.800 0.031 0.000 1.149 319 D HN 0.319 nan 8.370 nan 0.000 0.488 320 F N 2.172 122.126 119.950 0.007 0.000 2.427 320 F HA 0.266 4.792 4.527 -0.001 0.000 0.346 320 F C 0.399 176.201 175.800 0.003 0.000 1.120 320 F CA -1.026 56.977 58.000 0.004 0.000 1.033 320 F CB 1.039 40.042 39.000 0.005 0.000 1.126 320 F HN -0.020 nan 8.300 nan 0.000 0.462 321 K N 7.197 127.166 120.400 -0.719 0.000 2.315 321 K HA 0.318 4.638 4.320 -0.001 0.000 0.291 321 K C -0.675 175.649 176.600 -0.459 0.000 1.074 321 K CA -0.128 55.871 56.287 -0.479 0.000 0.936 321 K CB 0.347 32.612 32.500 -0.391 0.000 1.049 321 K HN 0.639 nan 8.250 nan 0.000 0.471 322 L N 2.083 123.227 121.223 -0.131 0.000 2.399 322 L HA 0.360 4.700 4.340 -0.001 0.000 0.266 322 L C 0.558 177.465 176.870 0.061 0.000 1.114 322 L CA -0.239 54.644 54.840 0.072 0.000 0.804 322 L CB 1.544 43.705 42.059 0.169 0.000 1.146 322 L HN 0.547 nan 8.230 nan 0.000 0.451 323 T N 0.125 114.755 114.554 0.125 0.000 2.932 323 T HA 0.272 4.622 4.350 -0.001 0.000 0.318 323 T C -0.190 174.433 174.700 -0.128 0.000 1.265 323 T CA -0.757 61.349 62.100 0.011 0.000 1.036 323 T CB 1.095 69.943 68.868 -0.033 0.000 1.209 323 T HN 0.761 nan 8.240 nan 0.000 0.484 324 N N 1.965 120.443 118.700 -0.369 0.000 2.177 324 N HA 0.276 5.015 4.740 -0.001 0.000 0.218 324 N C 0.316 175.677 175.510 -0.249 0.000 1.182 324 N CA -0.311 52.410 53.050 -0.549 0.000 0.882 324 N CB 0.356 38.148 38.487 -1.158 0.000 1.052 324 N HN 0.632 nan 8.380 nan 0.000 0.519 325 A N 0.450 123.181 122.820 -0.148 0.000 2.462 325 A HA 0.591 4.910 4.320 -0.001 0.000 0.243 325 A C 1.400 178.948 177.584 -0.060 0.000 1.076 325 A CA 0.343 52.328 52.037 -0.086 0.000 0.773 325 A CB -0.654 18.310 19.000 -0.060 0.000 1.010 325 A HN 0.627 nan 8.150 nan 0.000 0.493 326 G N 1.645 110.417 108.800 -0.045 0.000 2.652 326 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.318 326 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.318 326 G C 0.268 175.146 174.900 -0.036 0.000 1.295 326 G CA 0.933 46.014 45.100 -0.033 0.000 0.999 326 G HN 1.682 nan 8.290 nan 0.000 0.548 327 N N 2.023 120.706 118.700 -0.029 0.000 2.706 327 N HA 0.585 5.324 4.740 -0.001 0.000 0.240 327 N C -2.597 172.907 175.510 -0.010 0.000 1.039 327 N CA -1.342 51.689 53.050 -0.031 0.000 0.888 327 N CB 1.244 39.704 38.487 -0.045 0.000 1.128 327 N HN 0.345 nan 8.380 nan 0.000 0.512 328 P HA 0.118 nan 4.420 nan 0.000 0.266 328 P C -0.697 176.648 177.300 0.074 0.000 1.195 328 P CA -0.207 62.923 63.100 0.050 0.000 0.768 328 P CB 0.659 32.403 31.700 0.074 0.000 0.838 329 A N 3.256 126.134 122.820 0.097 0.000 2.332 329 A HA 0.207 4.527 4.320 -0.001 0.000 0.258 329 A C 0.443 178.133 177.584 0.175 0.000 1.087 329 A CA -0.453 51.651 52.037 0.112 0.000 0.802 329 A CB -0.063 19.004 19.000 0.111 0.000 1.042 329 A HN 0.542 nan 8.150 nan 0.000 0.489 330 N N -0.018 118.802 118.700 0.200 0.000 2.441 330 N HA 0.112 4.852 4.740 -0.001 0.000 0.251 330 N C -0.434 175.221 175.510 0.243 0.000 1.242 330 N CA 0.469 53.713 53.050 0.323 0.000 0.898 330 N CB 0.301 39.064 38.487 0.459 0.000 1.100 330 N HN 0.508 nan 8.380 nan 0.000 0.443 331 I N 2.625 123.314 120.570 0.198 0.000 2.312 331 I HA 0.185 4.354 4.170 -0.001 0.000 0.291 331 I C 0.372 176.407 176.117 -0.137 0.000 1.031 331 I CA -0.011 61.258 61.300 -0.052 0.000 1.293 331 I CB 0.290 38.168 38.000 -0.204 0.000 1.403 331 I HN 0.206 nan 8.210 nan 0.000 0.484 332 M N 5.548 125.066 119.600 -0.136 0.000 2.508 332 M HA 0.497 4.977 4.480 -0.001 0.000 0.327 332 M C -0.725 175.462 176.300 -0.189 0.000 1.160 332 M CA -0.669 54.588 55.300 -0.071 0.000 0.980 332 M CB 1.947 34.598 32.600 0.085 0.000 1.693 332 M HN 0.192 nan 8.290 nan 0.000 0.452 333 F N 0.947 120.859 119.950 -0.064 0.000 2.410 333 F HA 0.078 4.604 4.527 -0.001 0.000 0.334 333 F C 1.408 177.189 175.800 -0.031 0.000 1.134 333 F CA -0.289 57.663 58.000 -0.081 0.000 1.227 333 F CB 0.262 39.206 39.000 -0.094 0.000 1.194 333 F HN 0.658 nan 8.300 nan 0.000 0.571 334 D N -1.369 119.120 120.400 0.148 0.000 2.384 334 D HA -0.160 4.480 4.640 -0.001 0.000 0.222 334 D C 1.626 177.984 176.300 0.097 0.000 0.976 334 D CA 1.221 55.282 54.000 0.101 0.000 0.915 334 D CB -0.804 40.041 40.800 0.075 0.000 0.896 334 D HN 0.409 nan 8.370 nan 0.000 0.523 335 S N -1.311 114.457 115.700 0.113 0.000 2.527 335 S HA -0.040 4.430 4.470 -0.001 0.000 0.222 335 S C 0.863 175.506 174.600 0.073 0.000 0.985 335 S CA -0.337 57.902 58.200 0.065 0.000 0.921 335 S CB -0.388 62.821 63.200 0.016 0.000 0.772 335 S HN 0.230 nan 8.310 nan 0.000 0.529 336 Q N 2.038 121.905 119.800 0.112 0.000 2.441 336 Q HA 0.397 4.736 4.340 -0.001 0.000 0.234 336 Q C -0.619 175.440 176.000 0.099 0.000 1.078 336 Q CA -0.154 55.714 55.803 0.108 0.000 0.907 336 Q CB 0.613 29.442 28.738 0.151 0.000 1.269 336 Q HN 0.408 nan 8.270 nan 0.000 0.502 337 Q N 1.735 121.585 119.800 0.083 0.000 2.451 337 Q HA 0.490 4.830 4.340 -0.001 0.000 0.281 337 Q C -0.412 175.631 176.000 0.071 0.000 1.099 337 Q CA -0.833 55.023 55.803 0.088 0.000 0.806 337 Q CB 2.393 31.188 28.738 0.095 0.000 1.419 337 Q HN 0.563 nan 8.270 nan 0.000 0.427 338 I N 0.875 121.482 120.570 0.062 0.000 2.581 338 I HA 0.179 4.348 4.170 -0.001 0.000 0.288 338 I C 0.239 176.325 176.117 -0.052 0.000 1.047 338 I CA 0.075 61.355 61.300 -0.032 0.000 1.374 338 I CB 1.149 39.074 38.000 -0.125 0.000 1.423 338 I HN 0.341 nan 8.210 nan 0.000 0.549 339 T N 4.965 119.480 114.554 -0.065 0.000 2.829 339 T HA 0.465 4.815 4.350 -0.001 0.000 0.282 339 T C -0.803 173.940 174.700 0.073 0.000 0.990 339 T CA -0.249 61.906 62.100 0.092 0.000 1.028 339 T CB 0.529 69.480 68.868 0.138 0.000 0.951 339 T HN 0.179 nan 8.240 nan 0.000 0.460 340 Y N 1.945 122.515 120.300 0.450 0.000 2.528 340 Y HA 0.685 5.234 4.550 -0.001 0.000 0.335 340 Y C -0.136 176.250 175.900 0.811 0.000 1.093 340 Y CA -1.474 56.959 58.100 0.556 0.000 1.134 340 Y CB 1.337 40.082 38.460 0.475 0.000 1.253 340 Y HN 0.691 nan 8.280 nan 0.000 0.478 341 F N -1.093 119.301 119.950 0.739 0.000 2.576 341 F HA 0.594 5.121 4.527 -0.001 0.000 0.313 341 F C -0.920 174.882 175.800 0.004 0.000 1.078 341 F CA -1.310 56.888 58.000 0.329 0.000 0.921 341 F CB 0.963 40.113 39.000 0.249 0.000 1.232 341 F HN 0.491 nan 8.300 nan 0.000 0.459 342 H N 1.032 119.781 119.070 -0.535 0.000 2.582 342 H HA 0.572 5.128 4.556 -0.001 0.000 0.345 342 H C -0.952 174.211 175.328 -0.276 0.000 1.104 342 H CA -0.150 55.292 56.048 -1.011 0.000 1.390 342 H CB 1.383 30.439 29.762 -1.176 0.000 1.461 342 H HN 0.756 nan 8.280 nan 0.000 0.551 343 S N 3.658 118.862 115.700 -0.826 0.000 2.423 343 S HA 0.088 4.558 4.470 -0.001 0.000 0.213 343 S C 0.491 174.839 174.600 -0.420 0.000 1.131 343 S CA -0.565 57.411 58.200 -0.374 0.000 1.155 343 S CB -0.298 62.946 63.200 0.072 0.000 1.202 343 S HN 0.940 nan 8.310 nan 0.000 0.441 344 H N 2.924 121.578 119.070 -0.694 0.000 2.390 344 H HA -0.088 4.468 4.556 -0.001 0.000 0.298 344 H C 0.681 175.768 175.328 -0.401 0.000 1.106 344 H CA 1.968 57.764 56.048 -0.420 0.000 1.297 344 H CB 0.084 29.644 29.762 -0.337 0.000 1.375 344 H HN 0.675 nan 8.280 nan 0.000 0.509 345 F N -0.279 119.678 119.950 0.013 0.000 2.802 345 F HA 0.075 4.602 4.527 -0.001 0.000 0.300 345 F C 0.926 176.690 175.800 -0.060 0.000 1.168 345 F CA 0.324 58.291 58.000 -0.054 0.000 1.433 345 F CB -0.161 38.842 39.000 0.006 0.000 1.115 345 F HN 0.209 nan 8.300 nan 0.000 0.582 346 C N 1.143 120.524 119.300 0.135 0.000 4.300 346 C HA -0.180 4.280 4.460 -0.001 0.000 0.304 346 C C 0.581 175.702 174.990 0.218 0.000 1.367 346 C CA 0.674 59.828 59.018 0.227 0.000 2.032 346 C CB -2.899 24.906 27.740 0.107 0.000 1.285 346 C HN 0.582 nan 8.230 nan 0.000 0.737 347 T N -0.700 113.847 114.554 -0.012 0.000 3.172 347 T HA 0.519 4.869 4.350 -0.001 0.000 0.320 347 T C 0.387 174.725 174.700 -0.603 0.000 1.085 347 T CA 0.287 62.179 62.100 -0.346 0.000 1.052 347 T CB 0.869 69.433 68.868 -0.506 0.000 1.107 347 T HN 0.374 nan 8.240 nan 0.000 0.458 348 D N 2.421 122.300 120.400 -0.868 0.000 2.358 348 D HA 0.011 4.651 4.640 -0.001 0.000 0.241 348 D C 0.811 177.038 176.300 -0.122 0.000 1.094 348 D CA 0.150 53.770 54.000 -0.634 0.000 0.907 348 D CB -0.063 40.389 40.800 -0.581 0.000 0.893 348 D HN 0.579 nan 8.370 nan 0.000 0.528 349 W N -0.144 120.940 121.300 -0.360 0.000 2.863 349 W HA 0.248 4.908 4.660 -0.001 0.000 0.258 349 W C -0.000 176.571 176.519 0.087 0.000 1.298 349 W CA -0.249 56.984 57.345 -0.186 0.000 1.451 349 W CB -0.011 29.297 29.460 -0.254 0.000 1.107 349 W HN -0.178 nan 8.180 nan 0.000 0.641 350 F N 0.058 120.000 119.950 -0.013 0.000 2.538 350 F HA 0.705 5.231 4.527 -0.000 0.000 0.325 350 F C 0.132 175.886 175.800 -0.077 0.000 1.066 350 F CA -3.336 54.603 58.000 -0.102 0.000 0.946 350 F CB 0.745 39.556 39.000 -0.315 0.000 1.199 350 F HN -0.320 nan 8.300 nan 0.000 0.473 351 A N 1.565 124.468 122.820 0.137 0.000 2.414 351 A HA 0.559 4.879 4.320 -0.001 0.000 0.286 351 A C -1.324 176.463 177.584 0.337 0.000 1.073 351 A CA -0.777 51.313 52.037 0.088 0.000 0.727 351 A CB 0.496 19.087 19.000 -0.681 0.000 1.215 351 A HN 0.626 nan 8.150 nan 0.000 0.430 352 D N 1.638 122.191 120.400 0.256 0.000 2.425 352 D HA 0.348 4.988 4.640 -0.001 0.000 0.247 352 D C 0.289 176.658 176.300 0.114 0.000 1.147 352 D CA 0.687 54.814 54.000 0.211 0.000 0.879 352 D CB 0.584 41.454 40.800 0.117 0.000 1.179 352 D HN 0.491 nan 8.370 nan 0.000 0.456 353 L N 2.373 123.536 121.223 -0.100 0.000 2.452 353 L HA 0.191 4.531 4.340 -0.001 0.000 0.267 353 L C 0.587 177.080 176.870 -0.628 0.000 1.188 353 L CA -0.274 54.265 54.840 -0.501 0.000 0.821 353 L CB 0.417 42.105 42.059 -0.620 0.000 1.102 353 L HN 0.367 nan 8.230 nan 0.000 0.470 354 N N 0.215 118.511 118.700 -0.674 0.000 2.392 354 N HA 0.252 4.992 4.740 -0.001 0.000 0.283 354 N C -0.582 174.564 175.510 -0.606 0.000 1.003 354 N CA -0.320 52.431 53.050 -0.499 0.000 0.892 354 N CB 0.784 39.154 38.487 -0.194 0.000 1.193 354 N HN 0.342 nan 8.380 nan 0.000 0.487 355 Y N 2.298 122.476 120.300 -0.204 0.000 2.481 355 Y HA 0.423 4.973 4.550 -0.000 0.000 0.247 355 Y C 1.456 177.364 175.900 0.013 0.000 1.151 355 Y CA 0.176 58.220 58.100 -0.093 0.000 1.238 355 Y CB 0.238 38.642 38.460 -0.093 0.000 1.179 355 Y HN 0.791 nan 8.280 nan 0.000 0.524 356 G N 0.965 109.825 108.800 0.099 0.000 2.698 356 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.233 356 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.233 356 G C -2.731 172.318 174.900 0.249 0.000 1.352 356 G CA -1.257 43.928 45.100 0.141 0.000 0.879 356 G HN 0.025 nan 8.290 nan 0.000 0.567 357 P HA 0.229 nan 4.420 nan 0.000 0.264 357 P C 1.236 178.650 177.300 0.191 0.000 1.193 357 P CA 0.239 63.449 63.100 0.184 0.000 0.763 357 P CB 1.211 32.973 31.700 0.103 0.000 0.810 358 V N 3.416 123.395 119.914 0.108 0.000 2.439 358 V HA -0.273 3.846 4.120 -0.001 0.000 0.253 358 V C 1.328 177.434 176.094 0.019 0.000 1.074 358 V CA 2.208 64.499 62.300 -0.014 0.000 1.076 358 V CB -0.717 30.867 31.823 -0.397 0.000 0.664 358 V HN 0.535 nan 8.190 nan 0.000 0.461 359 D N -0.806 119.597 120.400 0.005 0.000 2.310 359 D HA -0.103 4.537 4.640 -0.001 0.000 0.212 359 D C 1.856 178.163 176.300 0.011 0.000 0.965 359 D CA 0.903 54.902 54.000 -0.002 0.000 0.879 359 D CB 0.074 40.872 40.800 -0.004 0.000 0.921 359 D HN 0.531 nan 8.370 nan 0.000 0.510 360 Q N -0.611 119.214 119.800 0.041 0.000 2.217 360 Q HA 0.339 4.679 4.340 -0.001 0.000 0.217 360 Q C 1.674 177.704 176.000 0.050 0.000 0.844 360 Q CA 0.035 55.862 55.803 0.039 0.000 0.957 360 Q CB 0.570 29.339 28.738 0.051 0.000 1.127 360 Q HN 0.097 nan 8.270 nan 0.000 0.503 361 A N 0.500 123.369 122.820 0.081 0.000 2.042 361 A HA -0.187 4.133 4.320 -0.001 0.000 0.222 361 A C 2.081 179.616 177.584 -0.082 0.000 1.167 361 A CA 1.858 53.962 52.037 0.111 0.000 0.649 361 A CB -1.056 18.103 19.000 0.264 0.000 0.809 361 A HN 0.453 nan 8.150 nan 0.000 0.457 362 G N -1.265 107.418 108.800 -0.195 0.000 2.470 362 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.220 362 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.220 362 G C 1.310 176.238 174.900 0.046 0.000 1.121 362 G CA 0.861 45.814 45.100 -0.245 0.000 0.766 362 G HN 0.515 nan 8.290 nan 0.000 0.553 363 E N 0.594 120.824 120.200 0.049 0.000 2.452 363 E HA 0.046 4.395 4.350 -0.001 0.000 0.197 363 E C 1.452 178.099 176.600 0.079 0.000 1.022 363 E CA 0.084 56.527 56.400 0.071 0.000 0.890 363 E CB 0.354 30.080 29.700 0.045 0.000 0.918 363 E HN 0.458 nan 8.360 nan 0.000 0.496 364 S N 1.991 117.753 115.700 0.104 0.000 2.568 364 S HA 0.082 4.551 4.470 -0.001 0.000 0.282 364 S C -1.374 173.229 174.600 0.006 0.000 1.338 364 S CA -0.958 57.284 58.200 0.070 0.000 1.045 364 S CB 1.353 64.627 63.200 0.123 0.000 0.873 364 S HN -0.122 nan 8.310 nan 0.000 0.516 365 P HA -0.053 nan 4.420 nan 0.000 0.220 365 P C 1.378 178.302 177.300 -0.626 0.000 1.148 365 P CA 1.446 64.392 63.100 -0.255 0.000 0.803 365 P CB -0.216 31.397 31.700 -0.145 0.000 0.782 366 A N -0.441 121.893 122.820 -0.810 0.000 1.873 366 A HA -0.210 4.110 4.320 -0.001 0.000 0.215 366 A C 2.380 179.852 177.584 -0.186 0.000 1.186 366 A CA 1.324 52.808 52.037 -0.921 0.000 0.616 366 A CB -1.886 16.630 19.000 -0.806 0.000 0.823 366 A HN 0.124 nan 8.150 nan 0.000 0.442 367 Y N 0.731 121.072 120.300 0.067 0.000 2.114 367 Y HA -0.253 4.297 4.550 -0.001 0.000 0.284 367 Y C 2.636 178.541 175.900 0.009 0.000 1.143 367 Y CA 2.259 60.420 58.100 0.102 0.000 1.135 367 Y CB -0.341 38.168 38.460 0.081 0.000 0.980 367 Y HN 0.360 nan 8.280 nan 0.000 0.499 368 Q N 0.208 119.982 119.800 -0.044 0.000 2.077 368 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 368 Q C 2.543 178.463 176.000 -0.133 0.000 0.989 368 Q CA 1.751 57.492 55.803 -0.103 0.000 0.853 368 Q CB -0.927 27.802 28.738 -0.014 0.000 0.907 368 Q HN 0.633 nan 8.270 nan 0.000 0.418 369 A N 0.981 123.724 122.820 -0.129 0.000 1.858 369 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 369 A C 2.093 179.739 177.584 0.104 0.000 1.190 369 A CA 1.240 53.275 52.037 -0.004 0.000 0.617 369 A CB -0.690 18.217 19.000 -0.155 0.000 0.827 369 A HN 0.345 nan 8.150 nan 0.000 0.443 370 I N -0.925 119.652 120.570 0.012 0.000 2.617 370 I HA -0.120 4.050 4.170 -0.001 0.000 0.256 370 I C 2.594 178.739 176.117 0.045 0.000 1.167 370 I CA 0.887 62.196 61.300 0.014 0.000 1.469 370 I CB -0.017 37.911 38.000 -0.120 0.000 1.098 370 I HN 0.344 nan 8.210 nan 0.000 0.436 371 A N -0.296 122.408 122.820 -0.193 0.000 1.930 371 A HA -0.242 4.078 4.320 -0.001 0.000 0.215 371 A C 1.927 179.448 177.584 -0.105 0.000 1.176 371 A CA 1.873 53.802 52.037 -0.181 0.000 0.632 371 A CB -0.584 17.991 19.000 -0.708 0.000 0.819 371 A HN 0.452 nan 8.150 nan 0.000 0.445 372 D N -0.302 120.039 120.400 -0.099 0.000 2.178 372 D HA 0.017 4.657 4.640 -0.001 0.000 0.202 372 D C 2.012 178.303 176.300 -0.014 0.000 0.974 372 D CA 1.273 55.224 54.000 -0.082 0.000 0.841 372 D CB -0.083 40.699 40.800 -0.029 0.000 0.953 372 D HN 0.347 nan 8.370 nan 0.000 0.478 373 A N 0.360 123.252 122.820 0.120 0.000 1.930 373 A HA 0.071 4.390 4.320 -0.001 0.000 0.217 373 A C 2.316 180.076 177.584 0.293 0.000 1.175 373 A CA 1.751 53.923 52.037 0.225 0.000 0.627 373 A CB -0.915 18.326 19.000 0.402 0.000 0.815 373 A HN 0.287 nan 8.150 nan 0.000 0.443 374 A N 0.090 123.065 122.820 0.259 0.000 1.933 374 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 374 A C 2.082 179.678 177.584 0.020 0.000 1.175 374 A CA 1.830 53.915 52.037 0.081 0.000 0.628 374 A CB -0.433 18.514 19.000 -0.089 0.000 0.814 374 A HN 0.553 nan 8.150 nan 0.000 0.444 375 K N -0.778 119.521 120.400 -0.169 0.000 2.147 375 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 375 K C 2.064 178.581 176.600 -0.138 0.000 1.049 375 K CA 0.918 56.951 56.287 -0.424 0.000 0.936 375 K CB -0.391 31.549 32.500 -0.932 0.000 0.722 375 K HN 0.476 nan 8.250 nan 0.000 0.446 376 G N 0.491 109.230 108.800 -0.101 0.000 2.432 376 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.219 376 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.219 376 G C 0.958 175.786 174.900 -0.121 0.000 1.135 376 G CA 0.485 45.502 45.100 -0.139 0.000 0.767 376 G HN 0.351 nan 8.290 nan 0.000 0.550 377 W N 0.390 121.761 121.300 0.119 0.000 2.453 377 W HA 0.243 4.902 4.660 -0.001 0.000 0.289 377 W C 2.466 179.128 176.519 0.238 0.000 1.215 377 W CA -0.273 57.181 57.345 0.181 0.000 1.297 377 W CB -0.117 29.447 29.460 0.172 0.000 1.113 377 W HN 0.077 nan 8.180 nan 0.000 0.551 378 I N 0.405 121.207 120.570 0.387 0.000 2.286 378 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 378 I C 2.504 178.856 176.117 0.392 0.000 1.115 378 I CA 1.358 62.878 61.300 0.367 0.000 1.392 378 I CB -0.846 37.286 38.000 0.220 0.000 1.065 378 I HN -0.044 nan 8.210 nan 0.000 0.418 379 A N 0.375 123.411 122.820 0.360 0.000 2.178 379 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 379 A C 2.140 179.866 177.584 0.236 0.000 1.157 379 A CA 1.064 53.270 52.037 0.281 0.000 0.689 379 A CB -0.427 18.720 19.000 0.245 0.000 0.787 379 A HN 0.341 nan 8.150 nan 0.000 0.465 380 R N -1.505 119.167 120.500 0.287 0.000 2.359 380 R HA 0.209 4.549 4.340 -0.001 0.000 0.231 380 R C 1.123 177.631 176.300 0.346 0.000 0.913 380 R CA 0.593 56.878 56.100 0.307 0.000 1.075 380 R CB 0.098 30.631 30.300 0.388 0.000 1.087 380 R HN 0.656 nan 8.270 nan 0.000 0.515 381 G N 0.698 109.723 108.800 0.376 0.000 2.176 381 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.232 381 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.232 381 G C 0.264 175.450 174.900 0.477 0.000 0.986 381 G CA -0.135 45.215 45.100 0.417 0.000 0.643 381 G HN 0.146 nan 8.290 nan 0.000 0.522 382 V N 1.981 122.200 119.914 0.507 0.000 2.557 382 V HA 0.106 4.226 4.120 -0.001 0.000 0.301 382 V C 1.324 177.735 176.094 0.528 0.000 1.026 382 V CA 1.151 63.762 62.300 0.519 0.000 1.137 382 V CB 1.080 33.248 31.823 0.574 0.000 0.917 382 V HN 0.382 nan 8.190 nan 0.000 0.484 383 D N 3.354 124.007 120.400 0.421 0.000 2.333 383 D HA 0.202 4.841 4.640 -0.001 0.000 0.208 383 D C 0.728 177.001 176.300 -0.046 0.000 0.984 383 D CA 1.124 55.293 54.000 0.282 0.000 0.873 383 D CB 1.005 41.935 40.800 0.217 0.000 0.935 383 D HN 0.742 nan 8.370 nan 0.000 0.521 384 G N -0.122 108.681 108.800 0.005 0.000 2.441 384 G HA2 0.500 4.459 3.960 -0.001 0.000 0.294 384 G HA3 0.500 4.459 3.960 -0.001 0.000 0.294 384 G C -2.001 172.816 174.900 -0.137 0.000 1.393 384 G CA -0.783 43.908 45.100 -0.681 0.000 0.796 384 G HN 0.015 nan 8.290 nan 0.000 0.494 385 L N 0.389 121.481 121.223 -0.218 0.000 2.401 385 L HA 0.662 5.001 4.340 -0.001 0.000 0.266 385 L C -0.096 176.734 176.870 -0.067 0.000 0.991 385 L CA -1.103 53.750 54.840 0.022 0.000 0.818 385 L CB 2.389 44.550 42.059 0.169 0.000 1.321 385 L HN 0.507 nan 8.230 nan 0.000 0.413 386 R N 3.794 124.269 120.500 -0.042 0.000 2.229 386 R HA 0.512 4.852 4.340 -0.001 0.000 0.332 386 R C -1.456 174.856 176.300 0.019 0.000 0.989 386 R CA -0.512 55.472 56.100 -0.193 0.000 0.842 386 R CB 0.740 30.665 30.300 -0.624 0.000 1.119 386 R HN 0.636 nan 8.270 nan 0.000 0.456 387 L N 3.869 125.122 121.223 0.050 0.000 2.265 387 L HA 0.239 4.579 4.340 -0.001 0.000 0.288 387 L C 0.324 177.286 176.870 0.152 0.000 1.058 387 L CA -0.710 54.228 54.840 0.163 0.000 0.809 387 L CB 1.147 43.319 42.059 0.187 0.000 1.179 387 L HN 0.561 nan 8.230 nan 0.000 0.429 388 D N 3.163 123.682 120.400 0.198 0.000 2.350 388 D HA 0.345 4.984 4.640 -0.001 0.000 0.249 388 D C 0.689 177.082 176.300 0.156 0.000 1.119 388 D CA 0.179 54.295 54.000 0.194 0.000 0.886 388 D CB 1.158 42.109 40.800 0.252 0.000 1.195 388 D HN 0.742 nan 8.370 nan 0.000 0.437 389 A N 2.895 125.809 122.820 0.158 0.000 2.409 389 A HA -0.183 4.137 4.320 -0.001 0.000 0.290 389 A C 1.527 179.189 177.584 0.131 0.000 1.440 389 A CA 1.004 53.170 52.037 0.216 0.000 0.775 389 A CB -2.096 17.221 19.000 0.529 0.000 1.069 389 A HN 1.042 nan 8.150 nan 0.000 0.389 390 V N -1.164 118.779 119.914 0.048 0.000 2.913 390 V HA -0.180 3.940 4.120 -0.001 0.000 0.260 390 V C 1.911 178.028 176.094 0.039 0.000 1.098 390 V CA 2.228 64.577 62.300 0.081 0.000 1.121 390 V CB -0.735 31.157 31.823 0.114 0.000 0.714 390 V HN 0.947 nan 8.190 nan 0.000 0.487 391 K N -1.066 119.198 120.400 -0.226 0.000 2.505 391 K HA 0.029 4.348 4.320 -0.001 0.000 0.192 391 K C 1.292 177.699 176.600 -0.321 0.000 1.025 391 K CA 0.823 56.941 56.287 -0.281 0.000 1.086 391 K CB -0.278 31.875 32.500 -0.577 0.000 0.840 391 K HN 0.586 nan 8.250 nan 0.000 0.514 392 H N 0.050 119.131 119.070 0.019 0.000 2.986 392 H HA 0.241 4.797 4.556 -0.000 0.000 0.267 392 H C 1.662 177.062 175.328 0.120 0.000 1.072 392 H CA -0.219 55.819 56.048 -0.017 0.000 1.202 392 H CB 0.267 29.860 29.762 -0.282 0.000 1.535 392 H HN 0.103 nan 8.280 nan 0.000 0.522 393 I N 0.404 121.090 120.570 0.194 0.000 2.052 393 I HA -0.293 3.877 4.170 -0.001 0.000 0.235 393 I C 0.433 176.552 176.117 0.003 0.000 1.046 393 I CA 1.580 62.926 61.300 0.078 0.000 1.308 393 I CB -0.306 37.670 38.000 -0.040 0.000 1.031 393 I HN 0.033 nan 8.210 nan 0.000 0.395 394 Y N 0.080 120.427 120.300 0.079 0.000 2.316 394 Y HA 0.035 4.585 4.550 -0.000 0.000 0.331 394 Y C 1.342 177.358 175.900 0.194 0.000 1.083 394 Y CA 0.106 58.271 58.100 0.109 0.000 1.206 394 Y CB 0.556 39.052 38.460 0.061 0.000 1.195 394 Y HN 0.031 nan 8.280 nan 0.000 0.497 395 H N 0.983 120.185 119.070 0.219 0.000 2.362 395 H HA -0.185 4.370 4.556 -0.000 0.000 0.294 395 H C 0.970 176.450 175.328 0.254 0.000 1.113 395 H CA 1.893 58.068 56.048 0.211 0.000 1.253 395 H CB 0.148 29.924 29.762 0.024 0.000 1.363 395 H HN 0.447 nan 8.280 nan 0.000 0.494 396 S N -0.243 115.613 115.700 0.259 0.000 2.474 396 S HA 0.016 4.486 4.470 -0.001 0.000 0.276 396 S C 1.206 175.887 174.600 0.135 0.000 1.227 396 S CA -0.018 58.280 58.200 0.164 0.000 1.050 396 S CB 0.523 63.812 63.200 0.149 0.000 0.939 396 S HN 0.677 nan 8.310 nan 0.000 0.490 397 E N 3.000 123.254 120.200 0.090 0.000 2.299 397 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 397 E C 1.369 178.048 176.600 0.133 0.000 0.998 397 E CA 1.117 57.580 56.400 0.104 0.000 0.851 397 E CB -0.396 29.296 29.700 -0.013 0.000 0.795 397 E HN 0.715 nan 8.360 nan 0.000 0.492 398 T N -0.972 113.624 114.554 0.071 0.000 3.065 398 T HA 0.042 4.392 4.350 -0.001 0.000 0.252 398 T C 1.286 175.988 174.700 0.004 0.000 1.099 398 T CA 0.137 62.261 62.100 0.040 0.000 1.063 398 T CB -0.071 68.815 68.868 0.029 0.000 0.948 398 T HN 0.215 nan 8.240 nan 0.000 0.506 399 S N 1.498 117.202 115.700 0.008 0.000 2.633 399 S HA 0.200 4.669 4.470 -0.001 0.000 0.257 399 S C 0.676 175.223 174.600 -0.089 0.000 1.265 399 S CA -0.646 57.540 58.200 -0.025 0.000 0.980 399 S CB 0.526 63.720 63.200 -0.010 0.000 1.017 399 S HN 0.449 nan 8.310 nan 0.000 0.577 400 E N -0.284 119.852 120.200 -0.106 0.000 2.476 400 E HA 0.087 4.436 4.350 -0.001 0.000 0.196 400 E C 1.329 177.819 176.600 -0.182 0.000 1.029 400 E CA -0.071 56.238 56.400 -0.152 0.000 0.896 400 E CB 0.091 29.729 29.700 -0.104 0.000 1.012 400 E HN 0.667 nan 8.360 nan 0.000 0.475 401 E N 1.235 121.312 120.200 -0.205 0.000 2.007 401 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 401 E C 1.683 178.136 176.600 -0.245 0.000 0.999 401 E CA 0.879 57.061 56.400 -0.363 0.000 0.811 401 E CB 0.021 29.363 29.700 -0.596 0.000 0.762 401 E HN 0.152 nan 8.360 nan 0.000 0.450 402 N N 0.443 119.098 118.700 -0.076 0.000 2.061 402 N HA -0.118 4.621 4.740 -0.001 0.000 0.193 402 N C -0.952 174.578 175.510 0.033 0.000 1.030 402 N CA 1.420 54.545 53.050 0.126 0.000 0.856 402 N CB -1.522 37.124 38.487 0.265 0.000 1.023 402 N HN 0.106 nan 8.380 nan 0.000 0.424 403 P HA -0.067 nan 4.420 nan 0.000 0.215 403 P C 1.384 178.632 177.300 -0.086 0.000 1.153 403 P CA 1.379 64.316 63.100 -0.272 0.000 0.853 403 P CB 0.017 31.445 31.700 -0.454 0.000 0.788 404 R N -2.067 118.385 120.500 -0.079 0.000 2.115 404 R HA -0.097 4.243 4.340 -0.001 0.000 0.230 404 R C 2.232 178.535 176.300 0.005 0.000 1.111 404 R CA 1.078 57.151 56.100 -0.046 0.000 0.976 404 R CB -0.913 29.342 30.300 -0.075 0.000 0.870 404 R HN 0.224 nan 8.270 nan 0.000 0.445 405 F N 1.466 121.369 119.950 -0.079 0.000 2.113 405 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 405 F C 1.872 177.702 175.800 0.049 0.000 1.103 405 F CA 1.324 59.306 58.000 -0.030 0.000 1.248 405 F CB -0.184 38.856 39.000 0.068 0.000 0.999 405 F HN -0.129 nan 8.300 nan 0.000 0.475 406 L N 0.274 121.596 121.223 0.163 0.000 2.083 406 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 406 L C 2.542 179.479 176.870 0.111 0.000 1.083 406 L CA 1.705 56.644 54.840 0.165 0.000 0.752 406 L CB -0.764 41.424 42.059 0.215 0.000 0.899 406 L HN 0.140 nan 8.230 nan 0.000 0.433 407 K N 0.464 120.892 120.400 0.046 0.000 2.026 407 K HA -0.235 4.085 4.320 -0.001 0.000 0.208 407 K C 2.279 178.904 176.600 0.043 0.000 1.048 407 K CA 1.584 57.902 56.287 0.052 0.000 0.929 407 K CB -0.114 32.394 32.500 0.012 0.000 0.713 407 K HN 0.159 nan 8.250 nan 0.000 0.439 408 M N 0.012 119.580 119.600 -0.054 0.000 2.108 408 M HA -0.178 4.302 4.480 -0.001 0.000 0.261 408 M C 1.901 178.169 176.300 -0.053 0.000 1.066 408 M CA 1.652 56.888 55.300 -0.107 0.000 1.107 408 M CB -0.211 32.237 32.600 -0.253 0.000 1.356 408 M HN 0.225 nan 8.290 nan 0.000 0.406 409 F N 0.182 119.982 119.950 -0.250 0.000 2.186 409 F HA -0.202 4.324 4.527 -0.000 0.000 0.299 409 F C 2.045 177.842 175.800 -0.005 0.000 1.090 409 F CA 1.512 59.454 58.000 -0.098 0.000 1.307 409 F CB -0.941 37.952 39.000 -0.179 0.000 1.019 409 F HN 0.276 nan 8.300 nan 0.000 0.489 410 Y N 1.144 121.359 120.300 -0.142 0.000 2.114 410 Y HA -0.193 4.357 4.550 -0.001 0.000 0.284 410 Y C 2.387 178.195 175.900 -0.152 0.000 1.143 410 Y CA 2.299 60.286 58.100 -0.189 0.000 1.135 410 Y CB -0.577 37.841 38.460 -0.071 0.000 0.980 410 Y HN 0.150 nan 8.280 nan 0.000 0.499 411 E N -0.274 119.879 120.200 -0.077 0.000 2.209 411 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 411 E C 1.784 178.282 176.600 -0.171 0.000 0.993 411 E CA 1.142 57.482 56.400 -0.100 0.000 0.819 411 E CB -0.143 29.569 29.700 0.021 0.000 0.745 411 E HN 0.522 nan 8.360 nan 0.000 0.477 412 D N 0.077 120.372 120.400 -0.175 0.000 2.084 412 D HA -0.123 4.517 4.640 -0.001 0.000 0.196 412 D C 1.870 178.018 176.300 -0.253 0.000 0.985 412 D CA 0.981 54.900 54.000 -0.135 0.000 0.826 412 D CB 0.192 40.984 40.800 -0.012 0.000 0.978 412 D HN 0.074 nan 8.370 nan 0.000 0.456 413 M N 0.480 119.782 119.600 -0.497 0.000 2.175 413 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 413 M C 1.942 177.935 176.300 -0.512 0.000 1.063 413 M CA 0.884 55.824 55.300 -0.600 0.000 1.119 413 M CB -1.496 30.581 32.600 -0.872 0.000 1.377 413 M HN 0.009 nan 8.290 nan 0.000 0.415 414 N N 0.898 119.273 118.700 -0.543 0.000 2.120 414 N HA -0.057 4.683 4.740 -0.001 0.000 0.188 414 N C 1.623 177.087 175.510 -0.077 0.000 1.024 414 N CA 1.894 54.747 53.050 -0.327 0.000 0.852 414 N CB -0.117 38.074 38.487 -0.494 0.000 1.003 414 N HN 0.297 nan 8.380 nan 0.000 0.424 415 A N -0.804 121.963 122.820 -0.088 0.000 1.933 415 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 415 A C 2.166 179.761 177.584 0.018 0.000 1.175 415 A CA 1.321 53.350 52.037 -0.014 0.000 0.628 415 A CB -1.109 17.885 19.000 -0.010 0.000 0.814 415 A HN 0.585 nan 8.150 nan 0.000 0.444 416 Y N -1.710 118.526 120.300 -0.107 0.000 2.373 416 Y HA -0.138 4.411 4.550 -0.000 0.000 0.293 416 Y C 2.091 177.973 175.900 -0.029 0.000 1.129 416 Y CA 1.532 59.582 58.100 -0.085 0.000 1.226 416 Y CB -0.370 38.009 38.460 -0.135 0.000 1.000 416 Y HN 0.427 nan 8.280 nan 0.000 0.549 417 Y N 1.137 121.349 120.300 -0.146 0.000 2.133 417 Y HA -0.145 4.405 4.550 -0.001 0.000 0.287 417 Y C 2.142 178.055 175.900 0.022 0.000 1.134 417 Y CA 2.024 60.059 58.100 -0.108 0.000 1.133 417 Y CB -0.390 37.981 38.460 -0.149 0.000 0.987 417 Y HN -0.016 nan 8.280 nan 0.000 0.502 418 K N -0.043 120.349 120.400 -0.014 0.000 2.148 418 K HA -0.234 4.086 4.320 -0.001 0.000 0.204 418 K C 2.186 178.694 176.600 -0.154 0.000 1.050 418 K CA 1.423 57.658 56.287 -0.086 0.000 0.942 418 K CB -0.263 32.240 32.500 0.006 0.000 0.724 418 K HN 0.453 nan 8.250 nan 0.000 0.446 419 Q N 1.142 120.840 119.800 -0.170 0.000 2.297 419 Q HA -0.147 4.193 4.340 -0.001 0.000 0.208 419 Q C 1.035 176.871 176.000 -0.274 0.000 0.981 419 Q CA 1.200 56.879 55.803 -0.207 0.000 0.876 419 Q CB 0.280 28.880 28.738 -0.230 0.000 0.921 419 Q HN 0.031 nan 8.270 nan 0.000 0.446 420 K N -0.504 119.695 120.400 -0.335 0.000 2.458 420 K HA 0.089 4.408 4.320 -0.001 0.000 0.194 420 K C 0.362 176.711 176.600 -0.418 0.000 1.024 420 K CA 0.725 56.812 56.287 -0.334 0.000 1.108 420 K CB 0.613 32.950 32.500 -0.273 0.000 0.846 420 K HN 0.363 nan 8.250 nan 0.000 0.518 421 G N 2.349 110.910 108.800 -0.399 0.000 2.356 421 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.233 421 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.233 421 G C -0.647 173.877 174.900 -0.627 0.000 1.105 421 G CA -0.456 44.387 45.100 -0.429 0.000 0.861 421 G HN 0.368 nan 8.290 nan 0.000 0.493 422 H N -0.584 118.303 119.070 -0.305 0.000 2.679 422 H HA 0.547 5.102 4.556 -0.001 0.000 0.360 422 H C 1.201 176.431 175.328 -0.164 0.000 1.105 422 H CA 0.138 55.991 56.048 -0.326 0.000 1.196 422 H CB 1.938 31.206 29.762 -0.824 0.000 1.636 422 H HN 0.342 nan 8.280 nan 0.000 0.531 423 T N -1.991 112.596 114.554 0.056 0.000 3.037 423 T HA -0.015 4.334 4.350 -0.001 0.000 0.251 423 T C 0.514 175.284 174.700 0.117 0.000 1.079 423 T CA -0.256 61.880 62.100 0.060 0.000 1.067 423 T CB 0.185 69.076 68.868 0.039 0.000 0.948 423 T HN 0.590 nan 8.240 nan 0.000 0.496 424 D N 1.341 121.849 120.400 0.180 0.000 2.388 424 D HA 0.255 4.895 4.640 -0.001 0.000 0.254 424 D C -0.753 175.761 176.300 0.356 0.000 1.111 424 D CA -0.593 53.544 54.000 0.229 0.000 0.993 424 D CB 0.736 41.669 40.800 0.221 0.000 1.118 424 D HN 0.053 nan 8.370 nan 0.000 0.502 425 D N -0.443 120.133 120.400 0.293 0.000 2.283 425 D HA 0.159 4.798 4.640 -0.001 0.000 0.248 425 D C -0.273 176.167 176.300 0.234 0.000 1.072 425 D CA -0.277 53.909 54.000 0.310 0.000 0.929 425 D CB 0.776 41.729 40.800 0.256 0.000 1.182 425 D HN 0.225 nan 8.370 nan 0.000 0.433 426 F N 1.973 121.853 119.950 -0.115 0.000 2.471 426 F HA 0.095 4.622 4.527 -0.001 0.000 0.353 426 F C -0.210 175.552 175.800 -0.063 0.000 1.113 426 F CA -0.439 57.253 58.000 -0.513 0.000 1.262 426 F CB 0.288 38.903 39.000 -0.642 0.000 1.146 426 F HN 0.211 nan 8.300 nan 0.000 0.578 427 Y N 7.087 126.856 120.300 -0.885 0.000 2.308 427 Y HA 0.498 5.047 4.550 -0.001 0.000 0.329 427 Y C -0.627 174.808 175.900 -0.776 0.000 1.111 427 Y CA -0.726 56.978 58.100 -0.661 0.000 1.179 427 Y CB 0.833 38.891 38.460 -0.670 0.000 1.201 427 Y HN 0.666 nan 8.280 nan 0.000 0.483 428 M N 8.707 127.797 119.600 -0.850 0.000 2.234 428 M HA 0.392 4.871 4.480 -0.001 0.000 0.267 428 M C -2.263 173.601 176.300 -0.726 0.000 1.022 428 M CA -0.370 54.601 55.300 -0.549 0.000 0.993 428 M CB 1.188 33.769 32.600 -0.032 0.000 1.836 428 M HN 0.765 nan 8.290 nan 0.000 0.479 429 I N 3.687 123.866 120.570 -0.653 0.000 2.433 429 I HA 0.821 4.990 4.170 -0.001 0.000 0.292 429 I C -0.191 175.687 176.117 -0.399 0.000 1.001 429 I CA -0.339 60.575 61.300 -0.644 0.000 1.119 429 I CB 1.566 39.093 38.000 -0.788 0.000 1.289 429 I HN 0.767 nan 8.210 nan 0.000 0.438 430 G N 5.114 113.713 108.800 -0.335 0.000 2.417 430 G HA2 0.323 4.283 3.960 -0.001 0.000 0.334 430 G HA3 0.323 4.283 3.960 -0.001 0.000 0.334 430 G C -1.261 173.612 174.900 -0.044 0.000 1.150 430 G CA -0.471 44.544 45.100 -0.142 0.000 0.923 430 G HN 0.671 nan 8.290 nan 0.000 0.485 431 E N 0.982 121.231 120.200 0.082 0.000 2.055 431 E HA 0.389 4.739 4.350 -0.001 0.000 0.274 431 E C -1.079 175.545 176.600 0.039 0.000 0.949 431 E CA -0.439 56.090 56.400 0.216 0.000 0.775 431 E CB 1.329 31.163 29.700 0.223 0.000 1.097 431 E HN 0.103 nan 8.360 nan 0.000 0.404 432 V N 6.839 126.770 119.914 0.029 0.000 2.276 432 V HA 0.096 4.216 4.120 -0.001 0.000 0.268 432 V C 0.027 176.080 176.094 -0.069 0.000 1.032 432 V CA -0.685 61.478 62.300 -0.228 0.000 0.810 432 V CB 0.839 32.353 31.823 -0.514 0.000 1.060 432 V HN 0.657 nan 8.190 nan 0.000 0.446 433 L N 4.893 125.966 121.223 -0.250 0.000 2.450 433 L HA 0.325 4.665 4.340 -0.001 0.000 0.256 433 L C 0.387 177.036 176.870 -0.368 0.000 1.374 433 L CA 1.101 55.540 54.840 -0.670 0.000 1.210 433 L CB -1.218 40.474 42.059 -0.612 0.000 1.394 433 L HN 0.653 nan 8.230 nan 0.000 0.438 434 S N 0.571 116.168 115.700 -0.171 0.000 2.720 434 S HA 0.527 4.997 4.470 -0.001 0.000 0.287 434 S C -0.689 173.954 174.600 0.073 0.000 1.168 434 S CA -0.938 57.227 58.200 -0.059 0.000 0.832 434 S CB 1.533 64.667 63.200 -0.110 0.000 1.166 434 S HN 0.287 nan 8.310 nan 0.000 0.493 435 E N 0.855 121.081 120.200 0.044 0.000 2.374 435 E HA 0.144 4.493 4.350 -0.001 0.000 0.260 435 E C 0.873 177.435 176.600 -0.062 0.000 1.101 435 E CA -0.123 56.310 56.400 0.054 0.000 0.907 435 E CB 0.253 29.946 29.700 -0.012 0.000 1.014 435 E HN 0.814 nan 8.360 nan 0.000 0.427 436 Y N 1.591 121.814 120.300 -0.129 0.000 2.132 436 Y HA -0.317 4.233 4.550 -0.000 0.000 0.280 436 Y C 1.466 177.378 175.900 0.019 0.000 1.193 436 Y CA 2.245 60.286 58.100 -0.098 0.000 1.157 436 Y CB -0.519 37.599 38.460 -0.570 0.000 0.966 436 Y HN 0.521 nan 8.280 nan 0.000 0.511 437 D N 0.036 119.777 120.400 -1.098 0.000 2.219 437 D HA -0.163 4.476 4.640 -0.001 0.000 0.205 437 D C 1.338 177.499 176.300 -0.232 0.000 0.970 437 D CA 1.212 54.816 54.000 -0.659 0.000 0.851 437 D CB -0.274 40.044 40.800 -0.802 0.000 0.943 437 D HN 0.426 nan 8.370 nan 0.000 0.488 438 K N 0.580 120.862 120.400 -0.197 0.000 2.262 438 K HA 0.078 4.398 4.320 -0.001 0.000 0.200 438 K C 2.386 178.957 176.600 -0.047 0.000 1.049 438 K CA 0.136 56.367 56.287 -0.092 0.000 0.979 438 K CB 0.054 32.494 32.500 -0.100 0.000 0.773 438 K HN 0.160 nan 8.250 nan 0.000 0.474 439 V N 1.762 121.640 119.914 -0.061 0.000 2.346 439 V HA -0.159 3.961 4.120 -0.001 0.000 0.244 439 V C 2.461 178.512 176.094 -0.071 0.000 1.037 439 V CA 1.652 63.894 62.300 -0.098 0.000 1.029 439 V CB -0.837 30.934 31.823 -0.086 0.000 0.663 439 V HN 0.214 nan 8.190 nan 0.000 0.454 440 A N 1.626 124.496 122.820 0.082 0.000 1.906 440 A HA -0.259 4.061 4.320 -0.001 0.000 0.222 440 A C 0.744 178.127 177.584 -0.334 0.000 1.282 440 A CA 2.801 54.949 52.037 0.184 0.000 0.675 440 A CB -2.354 16.869 19.000 0.370 0.000 0.838 440 A HN 0.578 nan 8.150 nan 0.000 0.469 441 P HA -0.160 nan 4.420 nan 0.000 0.223 441 P C 0.668 177.626 177.300 -0.570 0.000 1.144 441 P CA 1.184 63.581 63.100 -1.171 0.000 0.783 441 P CB -0.296 31.008 31.700 -0.660 0.000 0.771 442 Y N -2.022 118.032 120.300 -0.409 0.000 2.561 442 Y HA -0.024 4.526 4.550 -0.001 0.000 0.291 442 Y C 2.222 177.951 175.900 -0.285 0.000 1.141 442 Y CA 0.621 58.536 58.100 -0.308 0.000 1.303 442 Y CB -1.138 37.133 38.460 -0.315 0.000 1.015 442 Y HN -0.029 nan 8.280 nan 0.000 0.547 443 Y N -0.309 119.928 120.300 -0.105 0.000 2.639 443 Y HA -0.165 4.385 4.550 -0.000 0.000 0.297 443 Y C 2.254 178.126 175.900 -0.047 0.000 1.151 443 Y CA 0.717 58.774 58.100 -0.072 0.000 1.335 443 Y CB 0.068 38.526 38.460 -0.003 0.000 0.994 443 Y HN 0.001 nan 8.280 nan 0.000 0.548 444 K N -0.335 120.101 120.400 0.059 0.000 2.365 444 K HA -0.002 4.317 4.320 -0.001 0.000 0.197 444 K C 1.927 178.522 176.600 -0.009 0.000 1.042 444 K CA 0.900 57.220 56.287 0.055 0.000 0.987 444 K CB -0.009 32.519 32.500 0.048 0.000 0.779 444 K HN 0.332 nan 8.250 nan 0.000 0.484 445 G N 0.019 108.791 108.800 -0.046 0.000 2.724 445 G HA2 0.209 4.169 3.960 -0.001 0.000 0.205 445 G HA3 0.209 4.169 3.960 -0.001 0.000 0.205 445 G C 0.237 175.101 174.900 -0.060 0.000 1.112 445 G CA -0.217 44.862 45.100 -0.036 0.000 0.793 445 G HN 0.052 nan 8.290 nan 0.000 0.526 446 L N 0.167 121.327 121.223 -0.106 0.000 2.350 446 L HA 0.399 4.739 4.340 -0.001 0.000 0.260 446 L C -1.703 175.025 176.870 -0.236 0.000 1.015 446 L CA -2.100 52.597 54.840 -0.238 0.000 0.821 446 L CB 3.149 45.093 42.059 -0.191 0.000 1.370 446 L HN -0.172 nan 8.230 nan 0.000 0.416 447 P HA 0.051 nan 4.420 nan 0.000 0.226 447 P C -0.067 177.121 177.300 -0.187 0.000 1.161 447 P CA 0.474 63.397 63.100 -0.295 0.000 0.804 447 P CB 0.898 32.316 31.700 -0.470 0.000 0.829 448 A N 0.184 122.795 122.820 -0.348 0.000 2.386 448 A HA 0.761 5.081 4.320 -0.001 0.000 0.311 448 A C -1.106 176.216 177.584 -0.436 0.000 1.068 448 A CA -0.639 51.178 52.037 -0.367 0.000 0.743 448 A CB 1.068 19.662 19.000 -0.677 0.000 1.258 448 A HN 0.031 nan 8.150 nan 0.000 0.429 449 L N 1.250 122.213 121.223 -0.433 0.000 2.482 449 L HA 0.464 4.804 4.340 -0.001 0.000 0.263 449 L C -1.178 175.387 176.870 -0.510 0.000 0.957 449 L CA -0.499 54.009 54.840 -0.554 0.000 0.836 449 L CB 2.003 43.600 42.059 -0.770 0.000 1.324 449 L HN 0.712 nan 8.230 nan 0.000 0.406 450 F N 1.092 120.787 119.950 -0.426 0.000 2.506 450 F HA 0.096 4.623 4.527 -0.000 0.000 0.351 450 F C 0.917 176.384 175.800 -0.555 0.000 1.136 450 F CA 0.121 57.777 58.000 -0.574 0.000 1.298 450 F CB 0.488 38.965 39.000 -0.872 0.000 1.145 450 F HN 0.440 nan 8.300 nan 0.000 0.593 451 E N 3.088 123.136 120.200 -0.254 0.000 2.267 451 E HA 0.205 4.555 4.350 -0.001 0.000 0.241 451 E C 0.158 176.683 176.600 -0.126 0.000 0.950 451 E CA -0.199 56.142 56.400 -0.099 0.000 0.776 451 E CB -0.052 29.707 29.700 0.098 0.000 1.207 451 E HN 0.573 nan 8.360 nan 0.000 0.436 452 F N 1.127 121.060 119.950 -0.028 0.000 2.216 452 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 452 F C 2.311 177.777 175.800 -0.557 0.000 1.085 452 F CA 0.734 58.555 58.000 -0.297 0.000 1.326 452 F CB 0.028 38.786 39.000 -0.403 0.000 1.027 452 F HN 0.377 nan 8.300 nan 0.000 0.497 453 S N 0.044 115.696 115.700 -0.079 0.000 2.440 453 S HA -0.219 4.251 4.470 -0.001 0.000 0.238 453 S C 1.794 176.568 174.600 0.290 0.000 1.010 453 S CA 0.979 59.224 58.200 0.076 0.000 0.972 453 S CB -0.738 62.485 63.200 0.039 0.000 0.774 453 S HN 0.406 nan 8.310 nan 0.000 0.501 454 F N 1.054 121.125 119.950 0.202 0.000 2.134 454 F HA -0.085 4.441 4.527 -0.001 0.000 0.299 454 F C 2.061 178.147 175.800 0.477 0.000 1.097 454 F CA 1.391 59.591 58.000 0.333 0.000 1.264 454 F CB -0.228 38.939 39.000 0.278 0.000 1.001 454 F HN 0.356 nan 8.300 nan 0.000 0.479 455 W N -0.269 121.222 121.300 0.319 0.000 2.418 455 W HA -0.227 4.433 4.660 -0.001 0.000 0.292 455 W C 1.876 178.600 176.519 0.341 0.000 1.213 455 W CA 1.178 58.691 57.345 0.280 0.000 1.283 455 W CB -0.657 28.952 29.460 0.249 0.000 1.119 455 W HN 0.136 nan 8.180 nan 0.000 0.542 456 Y N 0.650 121.044 120.300 0.156 0.000 2.097 456 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 456 Y C 2.869 178.784 175.900 0.026 0.000 1.152 456 Y CA 0.831 58.918 58.100 -0.023 0.000 1.136 456 Y CB -0.560 37.957 38.460 0.095 0.000 0.975 456 Y HN -0.230 nan 8.280 nan 0.000 0.498 457 R N 0.179 120.884 120.500 0.341 0.000 2.070 457 R HA -0.171 4.169 4.340 -0.001 0.000 0.233 457 R C 2.244 178.766 176.300 0.370 0.000 1.137 457 R CA 0.986 57.302 56.100 0.360 0.000 0.945 457 R CB -1.345 29.186 30.300 0.385 0.000 0.845 457 R HN 0.322 nan 8.270 nan 0.000 0.430 458 L N 1.916 123.309 121.223 0.284 0.000 2.046 458 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 458 L C 2.323 179.097 176.870 -0.159 0.000 1.077 458 L CA 1.883 56.717 54.840 -0.009 0.000 0.747 458 L CB -0.631 41.392 42.059 -0.060 0.000 0.896 458 L HN 0.195 nan 8.230 nan 0.000 0.432 459 E N -1.005 118.996 120.200 -0.332 0.000 2.031 459 E HA -0.308 4.041 4.350 -0.001 0.000 0.193 459 E C 2.128 178.605 176.600 -0.205 0.000 0.994 459 E CA 1.819 57.883 56.400 -0.560 0.000 0.800 459 E CB -0.717 28.296 29.700 -1.146 0.000 0.752 459 E HN 0.648 nan 8.360 nan 0.000 0.447 460 W N 1.390 122.566 121.300 -0.207 0.000 2.335 460 W HA -0.115 4.544 4.660 -0.001 0.000 0.311 460 W C 2.265 178.774 176.519 -0.017 0.000 1.213 460 W CA 2.888 60.182 57.345 -0.084 0.000 1.274 460 W CB -0.821 28.630 29.460 -0.016 0.000 1.148 460 W HN 0.187 nan 8.180 nan 0.000 0.498 461 G N 0.756 109.762 108.800 0.343 0.000 2.491 461 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.218 461 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.218 461 G C 1.486 176.386 174.900 -0.000 0.000 1.180 461 G CA 1.673 46.962 45.100 0.316 0.000 0.774 461 G HN 0.360 nan 8.290 nan 0.000 0.562 462 I N 0.883 121.271 120.570 -0.303 0.000 2.226 462 I HA -0.141 4.028 4.170 -0.001 0.000 0.245 462 I C 2.199 178.191 176.117 -0.208 0.000 1.100 462 I CA 0.866 61.938 61.300 -0.379 0.000 1.374 462 I CB -0.237 37.460 38.000 -0.505 0.000 1.057 462 I HN 0.096 nan 8.210 nan 0.000 0.413 463 N N 1.127 119.678 118.700 -0.249 0.000 2.457 463 N HA -0.080 4.660 4.740 -0.001 0.000 0.180 463 N C 0.595 175.937 175.510 -0.279 0.000 1.050 463 N CA 0.833 53.743 53.050 -0.233 0.000 0.906 463 N CB -0.225 38.118 38.487 -0.239 0.000 0.968 463 N HN 0.398 nan 8.380 nan 0.000 0.445 464 N N -0.381 118.077 118.700 -0.404 0.000 2.275 464 N HA 0.125 4.864 4.740 -0.001 0.000 0.236 464 N C -0.331 175.055 175.510 -0.206 0.000 1.154 464 N CA -0.070 52.700 53.050 -0.468 0.000 0.866 464 N CB 0.572 38.384 38.487 -1.125 0.000 1.093 464 N HN -0.217 nan 8.380 nan 0.000 0.515 465 S N -0.350 115.324 115.700 -0.044 0.000 3.420 465 S HA -0.179 4.291 4.470 -0.001 0.000 0.367 465 S C -0.118 174.561 174.600 0.131 0.000 1.063 465 S CA 1.052 59.307 58.200 0.091 0.000 1.073 465 S CB -1.607 61.615 63.200 0.036 0.000 0.905 465 S HN 0.395 nan 8.310 nan 0.000 0.485 466 T N 0.526 115.188 114.554 0.179 0.000 2.809 466 T HA 0.561 4.911 4.350 -0.001 0.000 0.296 466 T C 1.000 175.936 174.700 0.394 0.000 1.015 466 T CA -0.003 62.253 62.100 0.261 0.000 0.954 466 T CB 1.680 70.763 68.868 0.358 0.000 0.950 466 T HN 0.376 nan 8.240 nan 0.000 0.450 467 G N 0.196 109.053 108.800 0.095 0.000 3.342 467 G HA2 0.032 3.991 3.960 -0.001 0.000 0.252 467 G HA3 0.032 3.991 3.960 -0.001 0.000 0.252 467 G C 1.479 176.283 174.900 -0.160 0.000 1.011 467 G CA -0.098 44.831 45.100 -0.286 0.000 0.869 467 G HN 0.875 nan 8.290 nan 0.000 0.514 468 C N -1.261 117.953 119.300 -0.144 0.000 2.511 468 C HA 0.319 4.779 4.460 -0.001 0.000 0.277 468 C C 1.529 176.369 174.990 -0.249 0.000 1.451 468 C CA -0.154 58.732 59.018 -0.221 0.000 1.735 468 C CB -1.777 25.770 27.740 -0.321 0.000 1.704 468 C HN 0.324 nan 8.230 nan 0.000 0.571 469 Y N -2.240 118.155 120.300 0.159 0.000 2.430 469 Y HA 0.269 4.819 4.550 -0.001 0.000 0.248 469 Y C 1.990 177.966 175.900 0.127 0.000 1.108 469 Y CA -0.799 57.378 58.100 0.128 0.000 1.264 469 Y CB -0.809 37.732 38.460 0.135 0.000 1.172 469 Y HN 0.219 nan 8.280 nan 0.000 0.520 470 F N 1.444 121.494 119.950 0.166 0.000 2.025 470 F HA -0.307 4.219 4.527 -0.001 0.000 0.297 470 F C 2.418 178.203 175.800 -0.025 0.000 1.132 470 F CA 2.020 60.081 58.000 0.102 0.000 1.191 470 F CB -0.761 38.336 39.000 0.163 0.000 0.963 470 F HN 0.001 nan 8.300 nan 0.000 0.481 471 A N -0.216 122.625 122.820 0.034 0.000 1.940 471 A HA -0.292 4.028 4.320 -0.001 0.000 0.219 471 A C 2.320 179.790 177.584 -0.191 0.000 1.176 471 A CA 2.093 54.046 52.037 -0.140 0.000 0.631 471 A CB -0.980 18.095 19.000 0.125 0.000 0.814 471 A HN 0.525 nan 8.150 nan 0.000 0.446 472 K N -0.558 119.794 120.400 -0.080 0.000 2.032 472 K HA -0.220 4.099 4.320 -0.001 0.000 0.209 472 K C 1.422 177.856 176.600 -0.276 0.000 1.048 472 K CA 1.809 58.039 56.287 -0.095 0.000 0.927 472 K CB -0.258 32.267 32.500 0.042 0.000 0.712 472 K HN 0.440 nan 8.250 nan 0.000 0.441 473 D N 0.927 121.107 120.400 -0.366 0.000 2.084 473 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 473 D C 2.061 177.571 176.300 -1.317 0.000 0.990 473 D CA 1.075 54.629 54.000 -0.742 0.000 0.826 473 D CB -0.148 40.330 40.800 -0.536 0.000 0.971 473 D HN 0.184 nan 8.370 nan 0.000 0.453 474 I N 1.203 121.186 120.570 -0.979 0.000 2.151 474 I HA -0.241 3.928 4.170 -0.001 0.000 0.243 474 I C 2.693 178.479 176.117 -0.553 0.000 1.080 474 I CA 0.868 61.713 61.300 -0.759 0.000 1.339 474 I CB -1.202 36.452 38.000 -0.578 0.000 1.039 474 I HN 0.064 nan 8.210 nan 0.000 0.409 475 L N 0.785 121.751 121.223 -0.429 0.000 2.042 475 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 475 L C 2.800 179.493 176.870 -0.296 0.000 1.076 475 L CA 1.859 56.539 54.840 -0.267 0.000 0.749 475 L CB -0.641 41.315 42.059 -0.172 0.000 0.893 475 L HN 0.365 nan 8.230 nan 0.000 0.432 476 S N -1.035 114.421 115.700 -0.407 0.000 2.399 476 S HA -0.206 4.264 4.470 -0.001 0.000 0.231 476 S C 1.920 176.344 174.600 -0.294 0.000 1.022 476 S CA 0.966 58.973 58.200 -0.322 0.000 0.983 476 S CB -0.590 62.411 63.200 -0.331 0.000 0.803 476 S HN 0.340 nan 8.310 nan 0.000 0.480 477 Y N 2.172 122.145 120.300 -0.545 0.000 2.184 477 Y HA 0.118 4.667 4.550 -0.000 0.000 0.290 477 Y C 2.837 178.112 175.900 -1.041 0.000 1.129 477 Y CA 0.382 58.027 58.100 -0.759 0.000 1.144 477 Y CB -1.415 36.690 38.460 -0.592 0.000 0.995 477 Y HN 0.367 nan 8.280 nan 0.000 0.513 478 Q N 0.147 119.640 119.800 -0.513 0.000 2.197 478 Q HA -0.286 4.053 4.340 -0.001 0.000 0.207 478 Q C 2.232 178.000 176.000 -0.387 0.000 0.984 478 Q CA 1.745 57.282 55.803 -0.444 0.000 0.869 478 Q CB -0.310 28.407 28.738 -0.035 0.000 0.906 478 Q HN 0.595 nan 8.270 nan 0.000 0.426 479 Q N 0.635 120.281 119.800 -0.256 0.000 2.084 479 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 479 Q C 1.927 177.852 176.000 -0.124 0.000 0.978 479 Q CA 0.993 56.715 55.803 -0.134 0.000 0.844 479 Q CB 0.204 28.887 28.738 -0.092 0.000 0.898 479 Q HN 0.055 nan 8.270 nan 0.000 0.426 480 K N -0.090 120.209 120.400 -0.169 0.000 2.025 480 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 480 K C 2.010 178.680 176.600 0.116 0.000 1.049 480 K CA 1.305 57.591 56.287 -0.002 0.000 0.933 480 K CB -0.393 32.167 32.500 0.100 0.000 0.714 480 K HN 0.324 nan 8.250 nan 0.000 0.438 481 Y N 0.647 120.932 120.300 -0.026 0.000 2.165 481 Y HA -0.114 4.435 4.550 -0.001 0.000 0.286 481 Y C 2.354 178.153 175.900 -0.167 0.000 1.155 481 Y CA 0.672 58.663 58.100 -0.182 0.000 1.164 481 Y CB -1.382 36.531 38.460 -0.911 0.000 0.978 481 Y HN 0.048 nan 8.280 nan 0.000 0.513 482 A N 0.567 123.354 122.820 -0.055 0.000 2.024 482 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 482 A C 2.022 179.645 177.584 0.065 0.000 1.164 482 A CA 1.756 53.858 52.037 0.108 0.000 0.643 482 A CB -0.711 18.360 19.000 0.118 0.000 0.806 482 A HN 0.447 nan 8.150 nan 0.000 0.451 483 N N -1.453 117.252 118.700 0.008 0.000 2.364 483 N HA -0.117 4.623 4.740 -0.001 0.000 0.183 483 N C 0.997 176.361 175.510 -0.243 0.000 1.022 483 N CA 1.410 54.371 53.050 -0.147 0.000 0.883 483 N CB -0.381 37.946 38.487 -0.268 0.000 0.965 483 N HN 0.724 nan 8.380 nan 0.000 0.438 484 Y N -0.653 119.696 120.300 0.081 0.000 2.535 484 Y HA 0.303 4.853 4.550 -0.000 0.000 0.266 484 Y C 0.852 176.799 175.900 0.079 0.000 1.088 484 Y CA -0.093 58.062 58.100 0.092 0.000 1.285 484 Y CB 0.771 39.324 38.460 0.155 0.000 1.166 484 Y HN -0.187 nan 8.280 nan 0.000 0.525 485 R N -0.341 120.286 120.500 0.212 0.000 2.508 485 R HA 0.222 4.561 4.340 -0.001 0.000 0.283 485 R C 0.396 176.775 176.300 0.132 0.000 1.120 485 R CA 0.130 56.306 56.100 0.126 0.000 0.958 485 R CB 1.604 31.959 30.300 0.091 0.000 1.215 485 R HN -0.021 nan 8.270 nan 0.000 0.427 486 S N 1.976 117.722 115.700 0.078 0.000 2.368 486 S HA -0.141 4.328 4.470 -0.001 0.000 0.225 486 S C 0.814 175.397 174.600 -0.029 0.000 1.030 486 S CA 1.845 60.081 58.200 0.061 0.000 0.999 486 S CB 0.041 63.255 63.200 0.024 0.000 0.844 486 S HN 0.767 nan 8.310 nan 0.000 0.459 487 D N 0.812 121.159 120.400 -0.089 0.000 2.722 487 D HA 0.071 4.710 4.640 -0.001 0.000 0.239 487 D C 0.165 176.275 176.300 -0.317 0.000 1.249 487 D CA -0.766 53.108 54.000 -0.210 0.000 0.830 487 D CB -1.281 39.448 40.800 -0.119 0.000 1.025 487 D HN 0.628 nan 8.370 nan 0.000 0.486 488 Y N -0.364 119.784 120.300 -0.253 0.000 2.683 488 Y HA 0.293 4.843 4.550 -0.001 0.000 0.340 488 Y C 0.016 175.697 175.900 -0.365 0.000 1.245 488 Y CA -1.069 56.729 58.100 -0.503 0.000 1.485 488 Y CB 0.377 38.258 38.460 -0.965 0.000 1.328 488 Y HN -0.093 nan 8.280 nan 0.000 0.603 489 I N 3.809 124.244 120.570 -0.224 0.000 2.328 489 I HA 0.147 4.317 4.170 -0.001 0.000 0.287 489 I C -0.218 175.865 176.117 -0.057 0.000 1.012 489 I CA -0.545 60.575 61.300 -0.301 0.000 1.195 489 I CB 1.193 38.903 38.000 -0.483 0.000 1.350 489 I HN 0.755 nan 8.210 nan 0.000 0.464 490 E N 6.895 127.128 120.200 0.055 0.000 2.001 490 E HA 0.431 4.780 4.350 -0.001 0.000 0.279 490 E C -0.574 176.054 176.600 0.045 0.000 1.045 490 E CA -0.646 55.826 56.400 0.121 0.000 0.833 490 E CB 0.991 30.880 29.700 0.315 0.000 1.077 490 E HN 0.704 nan 8.360 nan 0.000 0.397 491 A N 4.546 127.336 122.820 -0.050 0.000 2.415 491 A HA 0.236 4.556 4.320 -0.001 0.000 0.309 491 A C 0.411 177.998 177.584 0.004 0.000 1.356 491 A CA -0.521 51.524 52.037 0.014 0.000 0.998 491 A CB -0.029 18.833 19.000 -0.231 0.000 1.145 491 A HN 0.685 nan 8.150 nan 0.000 0.545 492 T N 0.715 115.239 114.554 -0.050 0.000 2.868 492 T HA 0.617 4.967 4.350 -0.001 0.000 0.292 492 T C -0.233 174.409 174.700 -0.096 0.000 1.028 492 T CA -0.469 61.422 62.100 -0.349 0.000 1.059 492 T CB 0.817 69.114 68.868 -0.953 0.000 0.991 492 T HN 0.849 nan 8.240 nan 0.000 0.531 493 K N 0.920 121.296 120.400 -0.039 0.000 2.607 493 K HA 0.577 4.897 4.320 -0.001 0.000 0.287 493 K C -1.125 175.584 176.600 0.181 0.000 0.996 493 K CA -1.130 55.221 56.287 0.108 0.000 0.876 493 K CB 1.108 33.635 32.500 0.046 0.000 1.496 493 K HN 0.448 nan 8.250 nan 0.000 0.415 494 L N 0.402 121.569 121.223 -0.093 0.000 2.719 494 L HA 0.381 4.721 4.340 -0.001 0.000 0.182 494 L C 0.597 176.832 176.870 -1.058 0.000 1.940 494 L CA -0.839 53.611 54.840 -0.652 0.000 2.839 494 L CB 0.662 42.383 42.059 -0.564 0.000 2.949 494 L HN 0.931 nan 8.230 nan 0.000 0.669 495 S N 0.300 115.264 115.700 -1.227 0.000 2.601 495 S HA 0.300 4.770 4.470 -0.001 0.000 0.271 495 S C -0.511 173.861 174.600 -0.380 0.000 1.305 495 S CA -0.765 57.046 58.200 -0.649 0.000 1.022 495 S CB 1.123 64.163 63.200 -0.266 0.000 0.940 495 S HN 0.622 nan 8.310 nan 0.000 0.525 496 N N -0.523 117.958 118.700 -0.366 0.000 3.061 496 N HA 0.235 4.974 4.740 -0.001 0.000 0.346 496 N C 0.721 175.731 175.510 -0.833 0.000 1.392 496 N CA -0.566 52.044 53.050 -0.733 0.000 0.762 496 N CB -0.487 37.816 38.487 -0.307 0.000 1.367 496 N HN 0.821 nan 8.380 nan 0.000 0.607 497 H N -1.560 116.963 119.070 -0.913 0.000 2.563 497 H HA 0.190 4.746 4.556 -0.001 0.000 0.272 497 H C -0.586 174.675 175.328 -0.111 0.000 1.005 497 H CA 0.517 56.338 56.048 -0.379 0.000 1.171 497 H CB -0.627 29.059 29.762 -0.127 0.000 1.351 497 H HN 0.438 nan 8.280 nan 0.000 0.602 498 N N 0.749 119.199 118.700 -0.416 0.000 2.235 498 N HA 0.138 4.878 4.740 -0.001 0.000 0.231 498 N C -0.579 174.869 175.510 -0.103 0.000 1.177 498 N CA -0.042 52.823 53.050 -0.308 0.000 0.874 498 N CB 1.360 39.604 38.487 -0.406 0.000 1.097 498 N HN 0.545 nan 8.380 nan 0.000 0.518 499 E N 0.060 120.239 120.200 -0.034 0.000 2.416 499 E HA 0.268 4.618 4.350 -0.001 0.000 0.273 499 E C -1.351 175.322 176.600 0.121 0.000 0.935 499 E CA -0.826 55.626 56.400 0.086 0.000 0.784 499 E CB 1.473 31.291 29.700 0.196 0.000 1.301 499 E HN -0.061 nan 8.360 nan 0.000 0.454 500 D N 1.799 122.302 120.400 0.171 0.000 2.455 500 D HA 0.032 4.672 4.640 -0.001 0.000 0.241 500 D C 0.151 176.575 176.300 0.207 0.000 1.138 500 D CA 0.150 54.255 54.000 0.176 0.000 0.877 500 D CB 0.567 41.465 40.800 0.164 0.000 1.187 500 D HN 0.100 nan 8.370 nan 0.000 0.451 501 R N 1.194 121.801 120.500 0.179 0.000 2.802 501 R HA -0.044 4.296 4.340 -0.001 0.000 0.264 501 R C 1.339 177.748 176.300 0.180 0.000 0.996 501 R CA 0.312 56.505 56.100 0.156 0.000 1.123 501 R CB -0.016 30.365 30.300 0.135 0.000 0.996 501 R HN 0.455 nan 8.270 nan 0.000 0.444 502 T N 0.610 115.222 114.554 0.098 0.000 2.737 502 T HA -0.160 4.190 4.350 -0.001 0.000 0.265 502 T C 1.850 176.655 174.700 0.175 0.000 1.038 502 T CA 1.890 64.066 62.100 0.126 0.000 1.144 502 T CB -0.119 68.690 68.868 -0.098 0.000 0.866 502 T HN 0.610 nan 8.240 nan 0.000 0.434 503 S N 0.689 116.457 115.700 0.114 0.000 2.383 503 S HA -0.140 4.330 4.470 -0.001 0.000 0.229 503 S C 2.305 176.964 174.600 0.098 0.000 1.030 503 S CA 1.702 59.965 58.200 0.105 0.000 1.002 503 S CB -0.450 62.832 63.200 0.135 0.000 0.829 503 S HN 0.447 nan 8.310 nan 0.000 0.467 504 S N 1.010 116.793 115.700 0.138 0.000 2.371 504 S HA 0.049 4.519 4.470 -0.001 0.000 0.224 504 S C 1.908 176.558 174.600 0.083 0.000 1.029 504 S CA 0.695 58.952 58.200 0.096 0.000 0.978 504 S CB -0.226 63.056 63.200 0.137 0.000 0.833 504 S HN 0.387 nan 8.310 nan 0.000 0.466 505 K N 1.180 121.672 120.400 0.154 0.000 2.280 505 K HA 0.062 4.382 4.320 -0.001 0.000 0.202 505 K C 0.810 177.447 176.600 0.061 0.000 1.047 505 K CA 0.717 57.087 56.287 0.139 0.000 0.942 505 K CB -0.319 32.357 32.500 0.292 0.000 0.739 505 K HN 0.396 nan 8.250 nan 0.000 0.457 506 L N 0.333 121.593 121.223 0.060 0.000 3.034 506 L HA 0.236 4.576 4.340 -0.001 0.000 0.245 506 L C 0.734 177.570 176.870 -0.056 0.000 1.295 506 L CA -0.263 54.565 54.840 -0.020 0.000 1.068 506 L CB -0.005 42.043 42.059 -0.018 0.000 1.426 506 L HN 0.153 nan 8.230 nan 0.000 0.531 507 G N 0.997 109.768 108.800 -0.049 0.000 2.269 507 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.277 507 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.277 507 G C 0.836 175.685 174.900 -0.086 0.000 1.008 507 G CA 0.890 45.949 45.100 -0.069 0.000 0.774 507 G HN 0.637 nan 8.290 nan 0.000 0.511 508 K N -2.018 118.336 120.400 -0.076 0.000 3.274 508 K HA -0.222 4.098 4.320 -0.001 0.000 0.300 508 K C 0.763 177.325 176.600 -0.062 0.000 1.230 508 K CA 0.904 57.138 56.287 -0.087 0.000 0.884 508 K CB -1.751 30.634 32.500 -0.193 0.000 1.242 508 K HN 1.033 nan 8.250 nan 0.000 0.467 509 S N 0.011 115.670 115.700 -0.068 0.000 2.465 509 S HA 0.412 4.882 4.470 -0.001 0.000 0.280 509 S C 1.494 176.059 174.600 -0.058 0.000 1.232 509 S CA 0.257 58.413 58.200 -0.074 0.000 1.066 509 S CB 1.215 64.337 63.200 -0.130 0.000 0.929 509 S HN 0.346 nan 8.310 nan 0.000 0.494 510 A N 4.751 127.557 122.820 -0.024 0.000 1.972 510 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 510 A C 1.813 179.393 177.584 -0.007 0.000 1.169 510 A CA 1.575 53.614 52.037 0.003 0.000 0.635 510 A CB -0.445 18.570 19.000 0.025 0.000 0.810 510 A HN 0.865 nan 8.150 nan 0.000 0.446 511 D N -0.162 120.222 120.400 -0.028 0.000 2.144 511 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 511 D C 1.838 178.048 176.300 -0.150 0.000 0.978 511 D CA 1.175 55.161 54.000 -0.023 0.000 0.833 511 D CB -0.200 40.647 40.800 0.077 0.000 0.961 511 D HN 0.488 nan 8.370 nan 0.000 0.470 512 K N 0.120 120.341 120.400 -0.298 0.000 2.155 512 K HA -0.017 4.302 4.320 -0.001 0.000 0.203 512 K C 2.296 178.788 176.600 -0.179 0.000 1.052 512 K CA 0.468 56.516 56.287 -0.399 0.000 0.948 512 K CB 0.013 32.247 32.500 -0.444 0.000 0.728 512 K HN 0.121 nan 8.250 nan 0.000 0.448 513 C N 1.400 120.652 119.300 -0.079 0.000 2.446 513 C HA -0.047 4.412 4.460 -0.001 0.000 0.277 513 C C 2.347 177.349 174.990 0.020 0.000 1.275 513 C CA 0.681 59.702 59.018 0.005 0.000 1.727 513 C CB -0.466 27.302 27.740 0.046 0.000 2.010 513 C HN 0.438 nan 8.230 nan 0.000 0.486 514 K N 0.445 120.853 120.400 0.014 0.000 2.097 514 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 514 K C 1.885 178.477 176.600 -0.013 0.000 1.049 514 K CA 1.031 57.332 56.287 0.023 0.000 0.933 514 K CB -0.395 32.139 32.500 0.057 0.000 0.717 514 K HN 0.341 nan 8.250 nan 0.000 0.442 515 L N 1.358 122.557 121.223 -0.040 0.000 1.994 515 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 515 L C 2.270 179.054 176.870 -0.143 0.000 1.071 515 L CA 1.984 56.779 54.840 -0.075 0.000 0.745 515 L CB -0.912 41.073 42.059 -0.123 0.000 0.892 515 L HN 0.125 nan 8.230 nan 0.000 0.431 516 A N -0.341 122.403 122.820 -0.126 0.000 1.917 516 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 516 A C 2.446 180.020 177.584 -0.017 0.000 1.182 516 A CA 2.274 54.277 52.037 -0.057 0.000 0.633 516 A CB -1.307 17.725 19.000 0.053 0.000 0.819 516 A HN 0.654 nan 8.150 nan 0.000 0.448 517 A N -0.413 122.361 122.820 -0.076 0.000 1.930 517 A HA 0.199 4.519 4.320 -0.001 0.000 0.217 517 A C 2.497 179.961 177.584 -0.201 0.000 1.175 517 A CA 1.993 53.889 52.037 -0.236 0.000 0.627 517 A CB -0.946 17.674 19.000 -0.634 0.000 0.815 517 A HN 1.065 nan 8.150 nan 0.000 0.443 518 A N -0.534 122.209 122.820 -0.129 0.000 1.877 518 A HA 0.001 4.321 4.320 -0.001 0.000 0.216 518 A C 2.225 179.833 177.584 0.040 0.000 1.186 518 A CA 1.776 53.783 52.037 -0.050 0.000 0.620 518 A CB -0.947 18.112 19.000 0.099 0.000 0.822 518 A HN 0.376 nan 8.150 nan 0.000 0.443 519 V N -0.217 119.663 119.914 -0.058 0.000 2.343 519 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 519 V C 2.511 178.879 176.094 0.457 0.000 1.051 519 V CA 1.955 64.365 62.300 0.184 0.000 1.036 519 V CB -0.802 31.028 31.823 0.012 0.000 0.654 519 V HN 0.609 nan 8.190 nan 0.000 0.451 520 L N -0.158 121.279 121.223 0.357 0.000 2.012 520 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 520 L C 2.041 179.043 176.870 0.220 0.000 1.073 520 L CA 2.040 57.111 54.840 0.385 0.000 0.748 520 L CB -0.412 41.798 42.059 0.252 0.000 0.891 520 L HN 0.231 nan 8.230 nan 0.000 0.431 521 L N -0.896 120.393 121.223 0.110 0.000 2.599 521 L HA 0.016 4.356 4.340 -0.001 0.000 0.230 521 L C 1.564 178.489 176.870 0.092 0.000 1.141 521 L CA 0.923 55.787 54.840 0.040 0.000 0.877 521 L CB -0.765 41.236 42.059 -0.097 0.000 1.009 521 L HN 0.508 nan 8.230 nan 0.000 0.447 522 T N -6.153 108.551 114.554 0.250 0.000 3.044 522 T HA 0.210 4.560 4.350 -0.001 0.000 0.260 522 T C 0.759 175.812 174.700 0.590 0.000 1.019 522 T CA -0.284 62.028 62.100 0.353 0.000 0.921 522 T CB 0.341 69.433 68.868 0.373 0.000 1.053 522 T HN -0.007 nan 8.240 nan 0.000 0.533 523 S N 1.506 117.505 115.700 0.499 0.000 2.672 523 S HA 0.782 5.252 4.470 -0.001 0.000 0.276 523 S C 0.559 175.271 174.600 0.187 0.000 1.207 523 S CA -0.685 57.717 58.200 0.337 0.000 1.002 523 S CB 1.127 64.559 63.200 0.387 0.000 0.998 523 S HN 0.720 nan 8.310 nan 0.000 0.542 524 A N 0.577 123.455 122.820 0.097 0.000 2.366 524 A HA 0.721 5.041 4.320 -0.001 0.000 0.249 524 A C 0.928 178.569 177.584 0.096 0.000 1.084 524 A CA 0.440 52.536 52.037 0.098 0.000 0.794 524 A CB -0.746 18.305 19.000 0.086 0.000 1.034 524 A HN 1.670 nan 8.150 nan 0.000 0.491 525 G N -0.358 108.515 108.800 0.123 0.000 2.409 525 G HA2 0.176 4.136 3.960 -0.001 0.000 0.421 525 G HA3 0.176 4.136 3.960 -0.001 0.000 0.421 525 G C -0.991 174.039 174.900 0.217 0.000 1.259 525 G CA -0.318 44.910 45.100 0.212 0.000 1.011 525 G HN 1.327 nan 8.290 nan 0.000 0.497 526 H N 1.715 120.804 119.070 0.031 0.000 2.697 526 H HA 0.535 5.091 4.556 -0.001 0.000 0.270 526 H C -2.088 173.286 175.328 0.077 0.000 1.188 526 H CA -1.135 54.943 56.048 0.049 0.000 1.322 526 H CB 1.349 31.167 29.762 0.093 0.000 1.405 526 H HN 0.477 nan 8.280 nan 0.000 0.502 527 P HA 0.050 nan 4.420 nan 0.000 0.275 527 P C -0.861 176.532 177.300 0.155 0.000 1.227 527 P CA -0.193 62.974 63.100 0.112 0.000 0.781 527 P CB 1.238 32.966 31.700 0.046 0.000 0.906 528 Y N 1.547 121.928 120.300 0.135 0.000 2.352 528 Y HA 0.439 4.989 4.550 -0.001 0.000 0.339 528 Y C 0.654 176.641 175.900 0.143 0.000 0.992 528 Y CA -0.528 57.698 58.100 0.210 0.000 1.100 528 Y CB 1.538 40.213 38.460 0.359 0.000 1.192 528 Y HN 0.183 nan 8.280 nan 0.000 0.458 529 I N 4.548 125.245 120.570 0.212 0.000 2.339 529 I HA 0.115 4.285 4.170 -0.001 0.000 0.290 529 I C -0.998 175.063 176.117 -0.093 0.000 0.994 529 I CA -1.016 60.336 61.300 0.086 0.000 1.191 529 I CB 0.869 38.935 38.000 0.110 0.000 1.343 529 I HN 0.487 nan 8.210 nan 0.000 0.458 530 Y N 8.925 129.079 120.300 -0.245 0.000 2.393 530 Y HA 0.141 4.691 4.550 -0.001 0.000 0.338 530 Y C 0.014 175.591 175.900 -0.539 0.000 1.029 530 Y CA -1.343 56.543 58.100 -0.357 0.000 1.239 530 Y CB 0.111 38.402 38.460 -0.282 0.000 1.170 530 Y HN 0.462 nan 8.280 nan 0.000 0.515 531 Y N 4.789 124.495 120.300 -0.990 0.000 2.987 531 Y HA 0.268 4.818 4.550 -0.001 0.000 0.339 531 Y C 1.131 176.628 175.900 -0.670 0.000 1.272 531 Y CA 0.310 57.922 58.100 -0.813 0.000 1.562 531 Y CB 0.063 38.271 38.460 -0.420 0.000 1.253 531 Y HN 0.960 nan 8.280 nan 0.000 0.604 532 G N 2.551 111.059 108.800 -0.485 0.000 2.299 532 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.237 532 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.237 532 G C 0.997 175.620 174.900 -0.463 0.000 1.027 532 G CA 0.551 45.326 45.100 -0.541 0.000 0.619 532 G HN 0.993 nan 8.290 nan 0.000 0.513 533 E N 1.092 121.000 120.200 -0.487 0.000 2.333 533 E HA -0.013 4.336 4.350 -0.001 0.000 0.198 533 E C 1.676 177.995 176.600 -0.467 0.000 1.007 533 E CA 1.575 57.767 56.400 -0.347 0.000 0.845 533 E CB -0.293 29.267 29.700 -0.232 0.000 0.766 533 E HN 0.590 nan 8.360 nan 0.000 0.507 534 E N 0.783 120.592 120.200 -0.653 0.000 2.358 534 E HA 0.015 4.365 4.350 -0.001 0.000 0.195 534 E C 1.778 178.144 176.600 -0.391 0.000 1.010 534 E CA 0.589 56.438 56.400 -0.918 0.000 0.856 534 E CB 0.023 29.259 29.700 -0.772 0.000 0.795 534 E HN 0.336 nan 8.360 nan 0.000 0.504 535 L N -1.147 119.911 121.223 -0.275 0.000 2.357 535 L HA 0.297 4.636 4.340 -0.001 0.000 0.211 535 L C 1.245 178.053 176.870 -0.103 0.000 1.075 535 L CA 0.563 55.304 54.840 -0.166 0.000 0.830 535 L CB 0.237 42.179 42.059 -0.194 0.000 0.996 535 L HN 0.396 nan 8.230 nan 0.000 0.467 536 G N 0.407 109.138 108.800 -0.116 0.000 2.148 536 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.157 536 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.157 536 G C 0.176 175.071 174.900 -0.009 0.000 1.012 536 G CA -0.556 44.526 45.100 -0.029 0.000 0.677 536 G HN 0.089 nan 8.290 nan 0.000 0.506 537 L N 0.319 121.466 121.223 -0.126 0.000 2.529 537 L HA 0.385 4.725 4.340 -0.001 0.000 0.287 537 L C 1.031 177.865 176.870 -0.059 0.000 1.241 537 L CA 0.090 54.815 54.840 -0.193 0.000 0.857 537 L CB 0.020 41.908 42.059 -0.285 0.000 1.113 537 L HN 0.461 nan 8.230 nan 0.000 0.504 538 Y N -0.243 120.039 120.300 -0.031 0.000 2.638 538 Y HA 0.943 5.492 4.550 -0.001 0.000 0.339 538 Y C -0.022 175.900 175.900 0.037 0.000 1.084 538 Y CA -1.082 57.020 58.100 0.004 0.000 1.068 538 Y CB 1.838 40.300 38.460 0.003 0.000 1.294 538 Y HN 0.703 nan 8.280 nan 0.000 0.480 539 G N -0.032 108.953 108.800 0.308 0.000 2.350 539 G HA2 0.484 4.444 3.960 -0.001 0.000 0.305 539 G HA3 0.484 4.444 3.960 -0.001 0.000 0.305 539 G C -1.366 173.645 174.900 0.184 0.000 1.479 539 G CA -0.447 44.792 45.100 0.233 0.000 0.949 539 G HN 1.403 nan 8.290 nan 0.000 0.651 540 T N -1.984 112.658 114.554 0.147 0.000 2.906 540 T HA 0.636 4.986 4.350 -0.001 0.000 0.295 540 T C 0.907 175.689 174.700 0.137 0.000 1.075 540 T CA -0.572 61.600 62.100 0.120 0.000 1.005 540 T CB 2.186 71.095 68.868 0.068 0.000 1.136 540 T HN 0.547 nan 8.240 nan 0.000 0.498 541 K N 0.494 120.965 120.400 0.119 0.000 2.362 541 K HA -0.052 4.268 4.320 -0.001 0.000 0.200 541 K C 1.261 177.923 176.600 0.102 0.000 1.046 541 K CA 0.838 57.197 56.287 0.119 0.000 0.952 541 K CB -0.205 32.340 32.500 0.074 0.000 0.753 541 K HN 0.541 nan 8.250 nan 0.000 0.466 542 D N 1.636 122.073 120.400 0.063 0.000 2.355 542 D HA -0.236 4.403 4.640 -0.001 0.000 0.192 542 D C 0.770 177.099 176.300 0.048 0.000 1.014 542 D CA 1.550 55.568 54.000 0.030 0.000 0.862 542 D CB -0.515 40.278 40.800 -0.011 0.000 0.986 542 D HN 0.346 nan 8.370 nan 0.000 0.456 543 N N 0.052 118.783 118.700 0.052 0.000 2.362 543 N HA 0.356 5.095 4.740 -0.001 0.000 0.204 543 N C 0.177 175.878 175.510 0.318 0.000 1.166 543 N CA 0.194 53.318 53.050 0.124 0.000 0.831 543 N CB 0.776 39.250 38.487 -0.023 0.000 1.008 543 N HN 0.240 nan 8.380 nan 0.000 0.472 544 G N 0.445 109.403 108.800 0.262 0.000 2.627 544 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.680 544 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.680 544 G C -0.579 174.453 174.900 0.221 0.000 1.341 544 G CA -0.876 44.350 45.100 0.210 0.000 0.835 544 G HN -0.012 nan 8.290 nan 0.000 0.643 545 D N 0.475 120.973 120.400 0.162 0.000 2.309 545 D HA -0.036 4.604 4.640 -0.001 0.000 0.212 545 D C 2.135 178.569 176.300 0.223 0.000 0.968 545 D CA 1.356 55.467 54.000 0.184 0.000 0.882 545 D CB 0.194 41.092 40.800 0.163 0.000 0.918 545 D HN 0.656 nan 8.370 nan 0.000 0.503 546 E N -0.392 119.880 120.200 0.120 0.000 2.160 546 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 546 E C 1.490 178.046 176.600 -0.072 0.000 0.991 546 E CA 0.714 57.106 56.400 -0.012 0.000 0.810 546 E CB -0.287 29.205 29.700 -0.348 0.000 0.742 546 E HN 0.457 nan 8.360 nan 0.000 0.466 547 Y N -0.624 119.739 120.300 0.104 0.000 2.509 547 Y HA -0.077 4.473 4.550 -0.001 0.000 0.293 547 Y C 1.990 177.950 175.900 0.099 0.000 1.133 547 Y CA 0.828 58.974 58.100 0.075 0.000 1.283 547 Y CB -0.022 38.471 38.460 0.055 0.000 1.001 547 Y HN 0.061 nan 8.280 nan 0.000 0.555 548 V N -2.655 117.417 119.914 0.263 0.000 3.621 548 V HA 0.241 4.361 4.120 -0.001 0.000 0.285 548 V C 0.836 177.108 176.094 0.297 0.000 1.346 548 V CA 0.184 62.628 62.300 0.240 0.000 1.104 548 V CB -0.004 31.951 31.823 0.221 0.000 0.913 548 V HN 0.164 nan 8.190 nan 0.000 0.432 549 R N 1.802 122.501 120.500 0.332 0.000 2.767 549 R HA 0.373 4.713 4.340 -0.001 0.000 0.377 549 R C 0.546 177.121 176.300 0.457 0.000 1.151 549 R CA 0.361 56.746 56.100 0.476 0.000 1.046 549 R CB 0.718 31.372 30.300 0.590 0.000 1.404 549 R HN 0.655 nan 8.270 nan 0.000 0.580 550 S N 0.295 116.159 115.700 0.273 0.000 2.593 550 S HA 0.309 4.779 4.470 -0.001 0.000 0.269 550 S C -2.261 172.492 174.600 0.255 0.000 1.334 550 S CA -1.310 57.009 58.200 0.199 0.000 1.015 550 S CB 0.688 63.910 63.200 0.037 0.000 0.912 550 S HN -0.071 nan 8.310 nan 0.000 0.541 551 P HA 0.092 nan 4.420 nan 0.000 0.265 551 P C -0.487 176.816 177.300 0.004 0.000 1.187 551 P CA -0.150 63.021 63.100 0.118 0.000 0.766 551 P CB 0.192 31.933 31.700 0.069 0.000 0.820 552 M N 4.577 124.121 119.600 -0.093 0.000 2.227 552 M HA 0.120 4.600 4.480 -0.001 0.000 0.349 552 M C -0.853 175.101 176.300 -0.578 0.000 1.443 552 M CA 0.261 55.327 55.300 -0.390 0.000 1.110 552 M CB -0.549 31.612 32.600 -0.732 0.000 1.773 552 M HN 0.151 nan 8.290 nan 0.000 0.463 553 L N 6.727 127.654 121.223 -0.493 0.000 2.401 553 L HA 0.119 4.458 4.340 -0.001 0.000 0.283 553 L C -0.142 176.495 176.870 -0.389 0.000 1.151 553 L CA -0.055 54.582 54.840 -0.338 0.000 0.942 553 L CB -0.384 41.548 42.059 -0.211 0.000 1.283 553 L HN 0.915 nan 8.230 nan 0.000 0.442 554 W N 1.752 122.960 121.300 -0.153 0.000 2.523 554 W HA 0.115 4.775 4.660 -0.001 0.000 0.278 554 W C 1.771 178.229 176.519 -0.101 0.000 1.236 554 W CA 0.575 57.812 57.345 -0.181 0.000 1.306 554 W CB 0.171 29.516 29.460 -0.192 0.000 1.101 554 W HN 0.721 nan 8.180 nan 0.000 0.577 555 G N 1.106 109.993 108.800 0.144 0.000 2.131 555 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.223 555 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.223 555 G C -0.539 174.424 174.900 0.105 0.000 0.990 555 G CA 0.243 45.397 45.100 0.091 0.000 0.671 555 G HN 0.380 nan 8.290 nan 0.000 0.521 556 D N -2.339 118.151 120.400 0.150 0.000 2.812 556 D HA 0.584 5.224 4.640 -0.001 0.000 0.318 556 D C 1.347 177.708 176.300 0.101 0.000 1.234 556 D CA 0.349 54.421 54.000 0.120 0.000 0.989 556 D CB -0.142 40.743 40.800 0.143 0.000 1.442 556 D HN 0.437 nan 8.370 nan 0.000 0.537 557 S N -1.707 114.011 115.700 0.029 0.000 2.547 557 S HA -0.124 4.345 4.470 -0.001 0.000 0.235 557 S C 1.103 175.609 174.600 -0.155 0.000 0.980 557 S CA 0.406 58.555 58.200 -0.084 0.000 0.941 557 S CB -0.853 62.240 63.200 -0.178 0.000 0.763 557 S HN 0.486 nan 8.310 nan 0.000 0.532 558 Y N 2.349 122.607 120.300 -0.069 0.000 2.544 558 Y HA 0.174 4.724 4.550 -0.000 0.000 0.286 558 Y C 1.346 177.291 175.900 0.076 0.000 1.141 558 Y CA 0.142 58.170 58.100 -0.120 0.000 1.299 558 Y CB -0.709 37.464 38.460 -0.479 0.000 1.030 558 Y HN 0.159 nan 8.280 nan 0.000 0.543 559 T N 1.589 116.324 114.554 0.302 0.000 2.902 559 T HA 0.083 4.432 4.350 -0.001 0.000 0.301 559 T C 0.695 175.475 174.700 0.134 0.000 1.012 559 T CA 0.189 62.440 62.100 0.251 0.000 1.151 559 T CB 0.352 69.302 68.868 0.136 0.000 0.946 559 T HN 0.301 nan 8.240 nan 0.000 0.542 560 T N 0.856 115.483 114.554 0.122 0.000 2.847 560 T HA 0.372 4.722 4.350 -0.001 0.000 0.279 560 T C 0.072 174.831 174.700 0.097 0.000 0.984 560 T CA -0.998 61.167 62.100 0.109 0.000 0.988 560 T CB 0.798 69.736 68.868 0.116 0.000 1.040 560 T HN 0.659 nan 8.240 nan 0.000 0.528 561 N N 0.469 119.232 118.700 0.104 0.000 2.732 561 N HA 0.123 4.863 4.740 -0.001 0.000 0.235 561 N C -0.275 175.273 175.510 0.065 0.000 1.466 561 N CA -0.581 52.490 53.050 0.034 0.000 0.751 561 N CB 0.471 38.967 38.487 0.014 0.000 1.317 561 N HN 0.841 nan 8.380 nan 0.000 0.525 562 Y N 0.103 120.399 120.300 -0.006 0.000 2.523 562 Y HA 0.382 4.932 4.550 -0.000 0.000 0.279 562 Y C 0.400 176.320 175.900 0.033 0.000 1.139 562 Y CA 0.129 58.258 58.100 0.047 0.000 1.296 562 Y CB 0.293 38.607 38.460 -0.243 0.000 1.045 562 Y HN 0.054 nan 8.280 nan 0.000 0.538 563 T N -0.603 113.495 114.554 -0.759 0.000 2.864 563 T HA 0.230 4.580 4.350 -0.001 0.000 0.299 563 T C -0.179 174.282 174.700 -0.399 0.000 1.166 563 T CA -0.562 61.165 62.100 -0.622 0.000 1.007 563 T CB 1.568 69.849 68.868 -0.979 0.000 1.219 563 T HN 0.150 nan 8.240 nan 0.000 0.506 564 D N 1.215 121.450 120.400 -0.274 0.000 2.289 564 D HA 0.077 4.717 4.640 -0.001 0.000 0.207 564 D C 0.328 176.515 176.300 -0.189 0.000 0.966 564 D CA 0.666 54.560 54.000 -0.176 0.000 0.868 564 D CB 0.362 41.098 40.800 -0.106 0.000 0.943 564 D HN 0.416 nan 8.370 nan 0.000 0.514 565 K N 1.438 121.654 120.400 -0.307 0.000 2.083 565 K HA 0.163 4.483 4.320 -0.001 0.000 0.246 565 K C -0.431 175.830 176.600 -0.566 0.000 1.160 565 K CA 0.269 56.310 56.287 -0.410 0.000 1.060 565 K CB 0.400 32.551 32.500 -0.582 0.000 1.417 565 K HN -0.135 nan 8.250 nan 0.000 0.329 566 T N 0.515 114.968 114.554 -0.168 0.000 2.909 566 T HA 0.105 4.455 4.350 -0.001 0.000 0.299 566 T C -1.250 173.566 174.700 0.194 0.000 1.073 566 T CA -0.813 61.259 62.100 -0.045 0.000 0.999 566 T CB 1.946 70.744 68.868 -0.116 0.000 1.098 566 T HN 0.296 nan 8.240 nan 0.000 0.477 567 D N 1.440 121.962 120.400 0.203 0.000 2.373 567 D HA 0.471 5.110 4.640 -0.001 0.000 0.227 567 D C 0.929 177.258 176.300 0.049 0.000 1.091 567 D CA -0.650 53.433 54.000 0.139 0.000 0.840 567 D CB 1.557 42.434 40.800 0.128 0.000 1.060 567 D HN 0.563 nan 8.370 nan 0.000 0.502 568 A N 2.973 125.818 122.820 0.041 0.000 2.067 568 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 568 A C 2.014 179.613 177.584 0.025 0.000 1.158 568 A CA 1.888 53.937 52.037 0.020 0.000 0.661 568 A CB -0.616 18.395 19.000 0.019 0.000 0.801 568 A HN 0.680 nan 8.150 nan 0.000 0.452 569 T N -2.635 111.952 114.554 0.055 0.000 2.821 569 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 569 T C 1.694 176.452 174.700 0.096 0.000 1.046 569 T CA 1.362 63.519 62.100 0.095 0.000 1.139 569 T CB -0.854 68.109 68.868 0.159 0.000 0.871 569 T HN 0.076 nan 8.240 nan 0.000 0.454 570 V N 3.186 123.088 119.914 -0.019 0.000 2.220 570 V HA -0.244 3.876 4.120 -0.001 0.000 0.250 570 V C 3.170 179.196 176.094 -0.112 0.000 1.056 570 V CA 2.554 64.709 62.300 -0.243 0.000 1.016 570 V CB -1.376 30.206 31.823 -0.402 0.000 0.639 570 V HN 0.817 nan 8.190 nan 0.000 0.446 571 S N -0.453 115.200 115.700 -0.078 0.000 2.500 571 S HA -0.188 4.282 4.470 -0.001 0.000 0.239 571 S C 1.699 176.292 174.600 -0.013 0.000 0.989 571 S CA 1.440 59.610 58.200 -0.050 0.000 0.951 571 S CB -0.390 62.787 63.200 -0.039 0.000 0.759 571 S HN 0.700 nan 8.310 nan 0.000 0.523 572 K N 0.994 121.401 120.400 0.012 0.000 2.276 572 K HA 0.217 4.537 4.320 -0.001 0.000 0.198 572 K C 0.780 177.411 176.600 0.051 0.000 1.052 572 K CA 0.541 56.846 56.287 0.031 0.000 0.984 572 K CB -0.005 32.517 32.500 0.036 0.000 0.836 572 K HN 0.255 nan 8.250 nan 0.000 0.490 573 N N 0.571 119.326 118.700 0.091 0.000 2.270 573 N HA 0.059 4.799 4.740 -0.001 0.000 0.198 573 N C -0.847 174.739 175.510 0.126 0.000 1.117 573 N CA 0.259 53.385 53.050 0.127 0.000 0.845 573 N CB 1.170 39.784 38.487 0.213 0.000 0.980 573 N HN -0.132 nan 8.380 nan 0.000 0.486 574 V N 1.192 121.145 119.914 0.064 0.000 2.623 574 V HA 0.215 4.335 4.120 -0.001 0.000 0.304 574 V C -0.059 176.033 176.094 -0.003 0.000 1.054 574 V CA -1.090 61.227 62.300 0.028 0.000 0.882 574 V CB 2.712 34.520 31.823 -0.025 0.000 1.002 574 V HN -0.128 nan 8.190 nan 0.000 0.424 575 K N 2.532 122.935 120.400 0.004 0.000 2.295 575 K HA 0.344 4.664 4.320 -0.001 0.000 0.270 575 K C 0.637 177.221 176.600 -0.027 0.000 1.011 575 K CA -0.070 56.218 56.287 0.001 0.000 0.953 575 K CB 1.273 33.785 32.500 0.020 0.000 0.956 575 K HN 0.947 nan 8.250 nan 0.000 0.477 576 T N -2.489 112.051 114.554 -0.023 0.000 2.816 576 T HA 0.109 4.459 4.350 -0.001 0.000 0.282 576 T C 1.682 176.366 174.700 -0.026 0.000 0.993 576 T CA -0.851 61.220 62.100 -0.047 0.000 0.994 576 T CB 0.656 69.514 68.868 -0.017 0.000 1.025 576 T HN 0.146 nan 8.240 nan 0.000 0.529 577 V N 1.438 121.317 119.914 -0.057 0.000 2.332 577 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 577 V C 3.065 179.221 176.094 0.103 0.000 1.055 577 V CA 2.404 64.712 62.300 0.013 0.000 1.038 577 V CB -1.676 30.117 31.823 -0.049 0.000 0.651 577 V HN 1.072 nan 8.190 nan 0.000 0.450 578 A N -0.338 122.534 122.820 0.086 0.000 1.877 578 A HA -0.238 4.081 4.320 -0.001 0.000 0.216 578 A C 2.062 179.690 177.584 0.075 0.000 1.186 578 A CA 1.962 54.052 52.037 0.088 0.000 0.620 578 A CB -0.563 18.481 19.000 0.073 0.000 0.822 578 A HN 0.559 nan 8.150 nan 0.000 0.443 579 D N -0.383 120.050 120.400 0.056 0.000 2.097 579 D HA -0.134 4.506 4.640 -0.001 0.000 0.197 579 D C 2.162 178.499 176.300 0.061 0.000 0.984 579 D CA 1.323 55.353 54.000 0.049 0.000 0.826 579 D CB -0.399 40.422 40.800 0.035 0.000 0.973 579 D HN 0.564 nan 8.370 nan 0.000 0.460 580 Q N 0.405 120.247 119.800 0.069 0.000 2.226 580 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 580 Q C 2.076 178.156 176.000 0.133 0.000 0.975 580 Q CA 0.716 56.572 55.803 0.088 0.000 0.866 580 Q CB -0.114 28.669 28.738 0.075 0.000 0.915 580 Q HN 0.467 nan 8.270 nan 0.000 0.440 581 Q N -0.338 119.561 119.800 0.166 0.000 2.291 581 Q HA -0.074 4.266 4.340 -0.001 0.000 0.205 581 Q C 1.682 177.749 176.000 0.112 0.000 0.970 581 Q CA 1.089 57.011 55.803 0.198 0.000 0.876 581 Q CB 0.074 28.930 28.738 0.197 0.000 0.935 581 Q HN 0.323 nan 8.270 nan 0.000 0.455 582 A N 0.685 123.551 122.820 0.076 0.000 2.095 582 A HA -0.037 4.282 4.320 -0.001 0.000 0.212 582 A C 0.568 178.159 177.584 0.011 0.000 1.162 582 A CA 0.086 52.146 52.037 0.039 0.000 0.753 582 A CB 0.291 19.312 19.000 0.034 0.000 0.840 582 A HN 0.161 nan 8.150 nan 0.000 0.468 583 D N 0.648 121.059 120.400 0.018 0.000 2.393 583 D HA 0.185 4.825 4.640 -0.001 0.000 0.232 583 D C 1.488 177.742 176.300 -0.076 0.000 1.192 583 D CA 0.679 54.663 54.000 -0.027 0.000 0.882 583 D CB 0.865 41.678 40.800 0.021 0.000 1.038 583 D HN 0.237 nan 8.370 nan 0.000 0.499 584 T N 1.385 115.806 114.554 -0.222 0.000 2.869 584 T HA -0.228 4.122 4.350 -0.001 0.000 0.270 584 T C 1.080 175.650 174.700 -0.217 0.000 1.082 584 T CA 1.105 63.056 62.100 -0.247 0.000 1.123 584 T CB -0.296 68.369 68.868 -0.338 0.000 0.856 584 T HN 0.497 nan 8.240 nan 0.000 0.499 585 H N 1.475 120.583 119.070 0.063 0.000 2.549 585 H HA 0.376 4.931 4.556 -0.001 0.000 0.279 585 H C 1.267 176.635 175.328 0.067 0.000 1.018 585 H CA 0.162 56.244 56.048 0.056 0.000 1.175 585 H CB -0.347 29.439 29.762 0.040 0.000 1.485 585 H HN 0.601 nan 8.280 nan 0.000 0.543 586 S N 0.785 116.563 115.700 0.129 0.000 2.576 586 S HA -0.008 4.462 4.470 -0.001 0.000 0.272 586 S C 1.538 176.215 174.600 0.128 0.000 1.352 586 S CA -0.560 57.709 58.200 0.116 0.000 1.021 586 S CB 1.322 64.580 63.200 0.097 0.000 0.887 586 S HN 0.199 nan 8.310 nan 0.000 0.542 587 L N 1.559 122.851 121.223 0.115 0.000 2.141 587 L HA 0.081 4.421 4.340 -0.001 0.000 0.209 587 L C 2.040 179.023 176.870 0.188 0.000 1.094 587 L CA 1.454 56.385 54.840 0.151 0.000 0.763 587 L CB -1.063 41.072 42.059 0.126 0.000 0.908 587 L HN 0.830 nan 8.230 nan 0.000 0.437 588 L N -0.284 120.985 121.223 0.077 0.000 2.083 588 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 588 L C 2.002 178.849 176.870 -0.039 0.000 1.083 588 L CA 1.933 56.741 54.840 -0.054 0.000 0.752 588 L CB -0.906 41.125 42.059 -0.047 0.000 0.899 588 L HN 0.409 nan 8.230 nan 0.000 0.433 589 N N -0.960 117.832 118.700 0.153 0.000 2.396 589 N HA -0.101 4.638 4.740 -0.001 0.000 0.180 589 N C 1.680 177.326 175.510 0.227 0.000 1.028 589 N CA 0.685 53.897 53.050 0.271 0.000 0.893 589 N CB 0.058 38.679 38.487 0.225 0.000 0.967 589 N HN 0.264 nan 8.380 nan 0.000 0.440 590 I N 0.129 120.811 120.570 0.187 0.000 2.315 590 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 590 I C 1.407 177.570 176.117 0.076 0.000 1.117 590 I CA 1.399 62.801 61.300 0.170 0.000 1.404 590 I CB -0.904 37.177 38.000 0.134 0.000 1.071 590 I HN 0.216 nan 8.210 nan 0.000 0.419 591 Y N 0.019 120.290 120.300 -0.048 0.000 2.200 591 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 591 Y C 2.456 178.291 175.900 -0.107 0.000 1.137 591 Y CA 1.577 59.599 58.100 -0.131 0.000 1.163 591 Y CB -0.626 37.683 38.460 -0.252 0.000 0.988 591 Y HN -0.014 nan 8.280 nan 0.000 0.518 592 F N -1.058 118.977 119.950 0.142 0.000 2.134 592 F HA -0.232 4.295 4.527 -0.001 0.000 0.299 592 F C 2.784 178.577 175.800 -0.012 0.000 1.097 592 F CA 1.533 59.552 58.000 0.031 0.000 1.264 592 F CB -1.282 37.738 39.000 0.034 0.000 1.001 592 F HN -0.044 nan 8.300 nan 0.000 0.479 593 S N 0.064 115.903 115.700 0.232 0.000 2.368 593 S HA -0.138 4.332 4.470 -0.001 0.000 0.225 593 S C 2.164 176.782 174.600 0.029 0.000 1.030 593 S CA 1.104 59.406 58.200 0.170 0.000 0.999 593 S CB -0.421 62.950 63.200 0.284 0.000 0.844 593 S HN 0.327 nan 8.310 nan 0.000 0.459 594 L N 1.027 122.202 121.223 -0.081 0.000 2.072 594 L HA -0.058 4.282 4.340 -0.001 0.000 0.205 594 L C 2.971 179.727 176.870 -0.191 0.000 1.079 594 L CA 1.680 56.352 54.840 -0.280 0.000 0.752 594 L CB -0.979 40.859 42.059 -0.369 0.000 0.906 594 L HN 0.545 nan 8.230 nan 0.000 0.436 595 T N -2.872 111.609 114.554 -0.121 0.000 2.857 595 T HA -0.226 4.124 4.350 -0.001 0.000 0.266 595 T C 1.997 176.542 174.700 -0.258 0.000 1.048 595 T CA 0.775 62.796 62.100 -0.131 0.000 1.139 595 T CB -0.266 68.566 68.868 -0.061 0.000 0.874 595 T HN 0.209 nan 8.240 nan 0.000 0.455 596 R N 0.096 120.425 120.500 -0.285 0.000 2.092 596 R HA 0.050 4.390 4.340 -0.001 0.000 0.231 596 R C 2.415 178.491 176.300 -0.374 0.000 1.119 596 R CA 1.101 56.889 56.100 -0.521 0.000 0.970 596 R CB -0.454 29.663 30.300 -0.306 0.000 0.864 596 R HN 0.405 nan 8.270 nan 0.000 0.440 597 L N 0.998 122.127 121.223 -0.157 0.000 1.994 597 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 597 L C 2.452 179.334 176.870 0.019 0.000 1.071 597 L CA 1.799 56.635 54.840 -0.007 0.000 0.745 597 L CB -0.436 41.590 42.059 -0.054 0.000 0.892 597 L HN 0.048 nan 8.230 nan 0.000 0.431 598 R N -0.574 119.887 120.500 -0.065 0.000 2.120 598 R HA -0.160 4.179 4.340 -0.001 0.000 0.234 598 R C 1.874 178.154 176.300 -0.034 0.000 1.123 598 R CA 1.891 57.976 56.100 -0.024 0.000 0.975 598 R CB -0.290 29.979 30.300 -0.052 0.000 0.866 598 R HN 0.560 nan 8.270 nan 0.000 0.446 599 N N -1.403 117.208 118.700 -0.150 0.000 2.463 599 N HA -0.081 4.659 4.740 -0.001 0.000 0.181 599 N C 1.185 176.700 175.510 0.008 0.000 1.078 599 N CA 1.204 54.181 53.050 -0.122 0.000 0.902 599 N CB 0.391 38.668 38.487 -0.350 0.000 0.970 599 N HN 0.330 nan 8.380 nan 0.000 0.451 600 T N -2.834 111.688 114.554 -0.054 0.000 3.034 600 T HA 0.050 4.400 4.350 -0.001 0.000 0.248 600 T C 0.184 174.749 174.700 -0.224 0.000 1.040 600 T CA 0.108 62.190 62.100 -0.031 0.000 1.107 600 T CB -0.156 68.632 68.868 -0.132 0.000 0.932 600 T HN -0.026 nan 8.240 nan 0.000 0.474 601 Y N 2.265 122.600 120.300 0.059 0.000 2.385 601 Y HA 0.416 4.965 4.550 -0.001 0.000 0.341 601 Y C -1.786 174.146 175.900 0.052 0.000 0.965 601 Y CA -2.634 55.501 58.100 0.059 0.000 1.180 601 Y CB 1.753 40.244 38.460 0.052 0.000 1.139 601 Y HN 0.054 nan 8.280 nan 0.000 0.502 602 P HA -0.284 nan 4.420 nan 0.000 0.216 602 P C 1.312 178.687 177.300 0.126 0.000 1.150 602 P CA 2.259 65.426 63.100 0.112 0.000 0.843 602 P CB 0.317 32.070 31.700 0.089 0.000 0.787 603 A N -1.437 121.482 122.820 0.165 0.000 1.978 603 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 603 A C 2.000 179.672 177.584 0.147 0.000 1.170 603 A CA 1.551 53.676 52.037 0.147 0.000 0.636 603 A CB -1.353 17.738 19.000 0.150 0.000 0.810 603 A HN 0.099 nan 8.150 nan 0.000 0.448 604 L N -1.195 120.122 121.223 0.157 0.000 2.145 604 L HA 0.189 4.529 4.340 -0.001 0.000 0.201 604 L C 2.914 179.838 176.870 0.089 0.000 1.075 604 L CA 1.560 56.481 54.840 0.135 0.000 0.773 604 L CB -1.254 40.881 42.059 0.127 0.000 0.936 604 L HN 0.340 nan 8.230 nan 0.000 0.451 605 A N 0.052 122.916 122.820 0.074 0.000 1.883 605 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 605 A C 1.728 179.303 177.584 -0.015 0.000 1.186 605 A CA 2.158 54.206 52.037 0.019 0.000 0.624 605 A CB -0.348 18.668 19.000 0.028 0.000 0.822 605 A HN 0.623 nan 8.150 nan 0.000 0.444 606 E N -1.567 118.645 120.200 0.019 0.000 2.801 606 E HA 0.296 4.646 4.350 -0.001 0.000 0.212 606 E C 0.647 177.272 176.600 0.041 0.000 0.963 606 E CA 0.060 56.464 56.400 0.007 0.000 1.247 606 E CB -0.409 29.291 29.700 -0.000 0.000 1.076 606 E HN 0.357 nan 8.360 nan 0.000 0.504 607 G N 1.062 109.905 108.800 0.071 0.000 2.651 607 G HA2 0.187 4.147 3.960 -0.001 0.000 0.260 607 G HA3 0.187 4.147 3.960 -0.001 0.000 0.260 607 G C -0.136 174.822 174.900 0.096 0.000 1.216 607 G CA -0.435 44.718 45.100 0.090 0.000 0.913 607 G HN 0.081 nan 8.290 nan 0.000 0.535 608 N N -0.438 118.324 118.700 0.103 0.000 2.472 608 N HA 0.316 5.055 4.740 -0.001 0.000 0.289 608 N C -0.436 175.158 175.510 0.140 0.000 1.156 608 N CA -0.481 52.631 53.050 0.104 0.000 0.940 608 N CB 2.026 40.565 38.487 0.087 0.000 1.200 608 N HN 0.449 nan 8.380 nan 0.000 0.511 609 M N 1.019 120.686 119.600 0.111 0.000 2.300 609 M HA 0.330 4.810 4.480 -0.001 0.000 0.348 609 M C -0.984 175.393 176.300 0.128 0.000 1.151 609 M CA -0.220 55.148 55.300 0.114 0.000 1.046 609 M CB 0.988 33.544 32.600 -0.073 0.000 1.647 609 M HN 0.651 nan 8.290 nan 0.000 0.451 610 T N 1.530 116.220 114.554 0.227 0.000 2.916 610 T HA 0.436 4.785 4.350 -0.001 0.000 0.305 610 T C -0.847 174.012 174.700 0.265 0.000 1.119 610 T CA -1.226 61.007 62.100 0.221 0.000 1.008 610 T CB 1.461 70.481 68.868 0.254 0.000 1.129 610 T HN 0.817 nan 8.240 nan 0.000 0.480 611 K N 1.123 121.632 120.400 0.181 0.000 2.414 611 K HA 0.151 4.470 4.320 -0.001 0.000 0.272 611 K C -0.117 176.573 176.600 0.151 0.000 0.993 611 K CA -0.372 56.012 56.287 0.161 0.000 0.964 611 K CB 0.214 32.776 32.500 0.104 0.000 0.925 611 K HN 0.784 nan 8.250 nan 0.000 0.487 612 H N 0.897 119.941 119.070 -0.044 0.000 2.690 612 H HA -0.008 4.548 4.556 -0.000 0.000 0.365 612 H C 0.894 176.229 175.328 0.011 0.000 1.142 612 H CA 0.898 56.814 56.048 -0.220 0.000 1.417 612 H CB 1.215 30.848 29.762 -0.216 0.000 1.446 612 H HN 0.833 nan 8.280 nan 0.000 0.599 613 S N 1.852 117.251 115.700 -0.501 0.000 2.402 613 S HA -0.098 4.371 4.470 -0.001 0.000 0.229 613 S C 1.379 175.865 174.600 -0.189 0.000 1.021 613 S CA 1.255 59.311 58.200 -0.240 0.000 0.974 613 S CB -0.145 62.929 63.200 -0.211 0.000 0.800 613 S HN 0.339 nan 8.310 nan 0.000 0.484 614 V N -0.899 118.901 119.914 -0.191 0.000 2.868 614 V HA 0.236 4.356 4.120 -0.001 0.000 0.227 614 V C 0.204 176.246 176.094 -0.086 0.000 1.136 614 V CA -0.194 62.011 62.300 -0.157 0.000 1.206 614 V CB -0.972 30.597 31.823 -0.425 0.000 0.997 614 V HN 0.407 nan 8.190 nan 0.000 0.505 615 Y N 4.260 124.699 120.300 0.232 0.000 2.643 615 Y HA 0.278 4.828 4.550 -0.000 0.000 0.353 615 Y C 0.522 176.432 175.900 0.017 0.000 1.257 615 Y CA -0.115 57.969 58.100 -0.027 0.000 1.779 615 Y CB -1.405 36.888 38.460 -0.279 0.000 1.495 615 Y HN 0.655 nan 8.280 nan 0.000 0.466 616 N N -1.056 117.718 118.700 0.124 0.000 3.479 616 N HA 0.155 4.895 4.740 -0.001 0.000 0.336 616 N C 0.824 176.346 175.510 0.020 0.000 1.623 616 N CA -0.636 52.463 53.050 0.081 0.000 0.759 616 N CB 0.218 38.753 38.487 0.081 0.000 2.016 616 N HN 0.146 nan 8.380 nan 0.000 0.637 617 E N 0.048 120.256 120.200 0.014 0.000 2.160 617 E HA -0.250 4.099 4.350 -0.001 0.000 0.195 617 E C 1.251 177.861 176.600 0.017 0.000 0.991 617 E CA 2.121 58.510 56.400 -0.019 0.000 0.810 617 E CB -0.596 29.190 29.700 0.143 0.000 0.742 617 E HN 0.618 nan 8.360 nan 0.000 0.466 618 S N 0.865 116.592 115.700 0.045 0.000 2.399 618 S HA -0.129 4.341 4.470 -0.001 0.000 0.231 618 S C 1.672 176.309 174.600 0.062 0.000 1.022 618 S CA 0.733 58.966 58.200 0.054 0.000 0.983 618 S CB -0.129 63.097 63.200 0.043 0.000 0.803 618 S HN 0.119 nan 8.310 nan 0.000 0.480 619 Q N 1.273 121.119 119.800 0.077 0.000 2.239 619 Q HA 0.203 4.542 4.340 -0.001 0.000 0.219 619 Q C 1.523 177.593 176.000 0.117 0.000 0.901 619 Q CA 0.060 55.955 55.803 0.154 0.000 0.949 619 Q CB -0.185 28.719 28.738 0.278 0.000 1.038 619 Q HN 0.830 nan 8.270 nan 0.000 0.458 620 E N 1.612 121.832 120.200 0.033 0.000 2.097 620 E HA -0.265 4.084 4.350 -0.001 0.000 0.196 620 E C 1.644 178.261 176.600 0.028 0.000 1.000 620 E CA 1.276 57.669 56.400 -0.011 0.000 0.804 620 E CB 0.221 29.944 29.700 0.038 0.000 0.740 620 E HN 0.293 nan 8.360 nan 0.000 0.454 621 K N 0.179 120.602 120.400 0.038 0.000 1.977 621 K HA -0.185 4.134 4.320 -0.001 0.000 0.218 621 K C 1.335 177.906 176.600 -0.049 0.000 1.051 621 K CA 2.145 58.439 56.287 0.011 0.000 0.953 621 K CB -0.079 32.429 32.500 0.014 0.000 0.727 621 K HN 0.116 nan 8.250 nan 0.000 0.445 622 D N -1.326 119.010 120.400 -0.107 0.000 2.349 622 D HA 0.009 4.649 4.640 -0.001 0.000 0.214 622 D C -0.327 175.605 176.300 -0.612 0.000 1.063 622 D CA 0.402 54.188 54.000 -0.357 0.000 0.847 622 D CB 0.490 41.001 40.800 -0.481 0.000 0.933 622 D HN 0.246 nan 8.370 nan 0.000 0.513 623 Y N 0.344 120.660 120.300 0.027 0.000 2.558 623 Y HA 0.242 4.791 4.550 -0.000 0.000 0.316 623 Y C 1.334 177.210 175.900 -0.040 0.000 0.967 623 Y CA -0.766 57.340 58.100 0.010 0.000 1.126 623 Y CB 0.566 39.088 38.460 0.103 0.000 1.155 623 Y HN -0.324 nan 8.280 nan 0.000 0.628 624 K N 0.420 120.847 120.400 0.045 0.000 2.031 624 K HA -0.006 4.313 4.320 -0.001 0.000 0.205 624 K C -0.974 175.627 176.600 0.002 0.000 1.049 624 K CA 1.064 57.352 56.287 0.002 0.000 0.939 624 K CB -0.734 31.784 32.500 0.029 0.000 0.717 624 K HN 0.283 nan 8.250 nan 0.000 0.438 625 P HA -0.095 nan 4.420 nan 0.000 0.228 625 P C -0.150 177.110 177.300 -0.067 0.000 1.151 625 P CA 0.800 63.917 63.100 0.027 0.000 0.770 625 P CB 0.044 31.753 31.700 0.015 0.000 0.786 626 I N 0.258 120.770 120.570 -0.098 0.000 2.371 626 I HA 0.287 4.457 4.170 -0.001 0.000 0.290 626 I C 0.543 176.496 176.117 -0.272 0.000 1.028 626 I CA -0.718 60.462 61.300 -0.200 0.000 1.345 626 I CB 0.531 38.397 38.000 -0.223 0.000 1.407 626 I HN -0.159 nan 8.210 nan 0.000 0.501 627 A N 5.912 128.513 122.820 -0.365 0.000 2.310 627 A HA 0.926 5.245 4.320 -0.001 0.000 0.304 627 A C -0.504 176.971 177.584 -0.182 0.000 1.231 627 A CA -0.383 51.502 52.037 -0.253 0.000 0.799 627 A CB 0.731 19.372 19.000 -0.598 0.000 1.162 627 A HN 0.789 nan 8.150 nan 0.000 0.486 628 A N 1.938 124.714 122.820 -0.072 0.000 2.498 628 A HA 0.978 5.297 4.320 -0.001 0.000 0.298 628 A C -1.065 176.540 177.584 0.036 0.000 1.075 628 A CA -0.462 51.400 52.037 -0.292 0.000 0.714 628 A CB 0.987 19.733 19.000 -0.424 0.000 1.299 628 A HN 2.047 nan 8.150 nan 0.000 0.407 629 W N -0.806 120.411 121.300 -0.138 0.000 2.982 629 W HA 0.667 5.326 4.660 -0.001 0.000 0.344 629 W C -2.330 174.108 176.519 -0.135 0.000 1.215 629 W CA -1.191 56.081 57.345 -0.121 0.000 1.182 629 W CB 0.254 29.736 29.460 0.036 0.000 1.437 629 W HN 0.625 nan 8.180 nan 0.000 0.570 630 Y N 2.159 122.724 120.300 0.442 0.000 2.387 630 Y HA 0.700 5.250 4.550 0.000 0.000 0.330 630 Y C 0.516 176.642 175.900 0.377 0.000 1.133 630 Y CA -1.334 56.942 58.100 0.294 0.000 1.152 630 Y CB 1.708 40.284 38.460 0.194 0.000 1.215 630 Y HN -0.005 nan 8.280 nan 0.000 0.466 631 M N 2.834 122.700 119.600 0.444 0.000 2.142 631 M HA 0.358 4.838 4.480 -0.001 0.000 0.299 631 M C -1.234 175.201 176.300 0.225 0.000 0.960 631 M CA -0.441 55.060 55.300 0.336 0.000 0.920 631 M CB 1.480 34.267 32.600 0.313 0.000 1.541 631 M HN 0.636 nan 8.290 nan 0.000 0.429 632 T N 2.621 117.282 114.554 0.178 0.000 2.886 632 T HA 0.638 4.988 4.350 -0.001 0.000 0.292 632 T C -0.755 174.003 174.700 0.097 0.000 1.012 632 T CA -0.815 61.357 62.100 0.119 0.000 0.982 632 T CB 2.492 71.412 68.868 0.085 0.000 1.018 632 T HN 0.438 nan 8.240 nan 0.000 0.451 633 K N 2.620 123.071 120.400 0.085 0.000 2.565 633 K HA 0.551 4.870 4.320 -0.001 0.000 0.249 633 K C -0.297 176.338 176.600 0.059 0.000 0.958 633 K CA -0.304 56.026 56.287 0.071 0.000 0.806 633 K CB 0.820 33.368 32.500 0.079 0.000 1.194 633 K HN 0.588 nan 8.250 nan 0.000 0.434 634 D N 2.048 122.475 120.400 0.044 0.000 3.845 634 D HA -0.313 4.327 4.640 -0.001 0.000 0.144 634 D C 0.100 176.420 176.300 0.032 0.000 0.889 634 D CA 1.966 55.987 54.000 0.035 0.000 1.096 634 D CB -0.715 40.108 40.800 0.037 0.000 0.515 634 D HN 0.698 nan 8.370 nan 0.000 0.525 635 N N 0.988 119.708 118.700 0.034 0.000 2.236 635 N HA 0.065 4.805 4.740 -0.001 0.000 0.196 635 N C -0.727 174.805 175.510 0.037 0.000 1.114 635 N CA 0.324 53.391 53.050 0.027 0.000 0.859 635 N CB 0.389 38.889 38.487 0.021 0.000 0.982 635 N HN 0.356 nan 8.380 nan 0.000 0.493 636 E N 1.064 121.299 120.200 0.058 0.000 2.152 636 E HA 0.077 4.426 4.350 -0.001 0.000 0.285 636 E C -0.791 175.852 176.600 0.072 0.000 1.043 636 E CA -0.342 56.105 56.400 0.079 0.000 0.839 636 E CB 0.450 30.221 29.700 0.119 0.000 1.069 636 E HN 0.027 nan 8.360 nan 0.000 0.399 637 K N 5.772 126.206 120.400 0.055 0.000 2.323 637 K HA 0.392 4.712 4.320 -0.001 0.000 0.259 637 K C -1.192 175.454 176.600 0.077 0.000 0.947 637 K CA -0.633 55.685 56.287 0.052 0.000 0.819 637 K CB 0.820 33.311 32.500 -0.015 0.000 1.109 637 K HN 0.542 nan 8.250 nan 0.000 0.429 638 L N 3.849 125.148 121.223 0.127 0.000 2.323 638 L HA 0.575 4.914 4.340 -0.001 0.000 0.265 638 L C -1.004 176.003 176.870 0.228 0.000 1.012 638 L CA -1.483 53.432 54.840 0.125 0.000 0.820 638 L CB 1.663 43.757 42.059 0.058 0.000 1.334 638 L HN 0.507 nan 8.230 nan 0.000 0.427 639 L N 2.008 123.342 121.223 0.184 0.000 2.333 639 L HA 0.637 4.977 4.340 -0.001 0.000 0.280 639 L C -0.964 175.850 176.870 -0.093 0.000 1.004 639 L CA -0.313 54.622 54.840 0.159 0.000 0.820 639 L CB 1.852 44.077 42.059 0.277 0.000 1.247 639 L HN 0.244 nan 8.230 nan 0.000 0.416 640 V N 6.376 126.058 119.914 -0.386 0.000 2.409 640 V HA 0.575 4.695 4.120 -0.001 0.000 0.291 640 V C -0.372 175.180 176.094 -0.903 0.000 1.020 640 V CA -0.516 61.352 62.300 -0.720 0.000 0.848 640 V CB 1.564 32.755 31.823 -1.054 0.000 0.990 640 V HN 0.523 nan 8.190 nan 0.000 0.430 641 I N 4.508 124.605 120.570 -0.788 0.000 2.466 641 I HA 0.577 4.747 4.170 -0.001 0.000 0.289 641 I C -0.613 175.095 176.117 -0.683 0.000 1.026 641 I CA -0.484 60.417 61.300 -0.665 0.000 1.078 641 I CB 1.852 39.612 38.000 -0.399 0.000 1.249 641 I HN 0.577 nan 8.210 nan 0.000 0.429 642 H N 3.853 122.758 119.070 -0.275 0.000 2.600 642 H HA 0.329 4.885 4.556 -0.000 0.000 0.357 642 H C -0.714 174.575 175.328 -0.065 0.000 1.106 642 H CA -0.654 55.344 56.048 -0.083 0.000 1.193 642 H CB 2.529 32.348 29.762 0.096 0.000 1.594 642 H HN 0.406 nan 8.280 nan 0.000 0.526 643 N N 3.080 121.891 118.700 0.186 0.000 2.609 643 N HA 0.056 4.795 4.740 -0.001 0.000 0.234 643 N C -0.022 175.686 175.510 0.331 0.000 1.001 643 N CA -0.412 52.708 53.050 0.117 0.000 0.926 643 N CB -0.116 38.370 38.487 -0.002 0.000 1.130 643 N HN 0.297 nan 8.380 nan 0.000 0.510 644 F N 0.714 120.709 119.950 0.075 0.000 2.722 644 F HA 0.221 4.748 4.527 -0.000 0.000 0.298 644 F C 1.689 177.597 175.800 0.180 0.000 1.175 644 F CA -0.160 57.925 58.000 0.141 0.000 1.462 644 F CB -0.710 38.331 39.000 0.068 0.000 1.111 644 F HN 0.342 nan 8.300 nan 0.000 0.592 645 G N -1.613 107.253 108.800 0.110 0.000 2.537 645 G HA2 0.473 4.433 3.960 -0.001 0.000 0.323 645 G HA3 0.473 4.433 3.960 -0.001 0.000 0.323 645 G C 0.892 175.287 174.900 -0.841 0.000 1.207 645 G CA -0.192 44.798 45.100 -0.183 0.000 0.976 645 G HN 0.092 nan 8.290 nan 0.000 0.487 646 G N -1.146 107.178 108.800 -0.793 0.000 2.986 646 G HA2 0.262 4.222 3.960 -0.001 0.000 0.213 646 G HA3 0.262 4.222 3.960 -0.001 0.000 0.213 646 G C 0.507 175.175 174.900 -0.387 0.000 1.156 646 G CA 0.286 44.889 45.100 -0.828 0.000 0.763 646 G HN 0.600 nan 8.290 nan 0.000 0.547 647 T N 2.116 116.503 114.554 -0.279 0.000 2.728 647 T HA 0.581 4.930 4.350 -0.001 0.000 0.296 647 T C 0.665 175.260 174.700 -0.175 0.000 0.940 647 T CA -0.236 61.755 62.100 -0.182 0.000 1.013 647 T CB 1.464 70.253 68.868 -0.131 0.000 0.912 647 T HN 0.369 nan 8.240 nan 0.000 0.484 648 A N 4.497 127.217 122.820 -0.167 0.000 2.586 648 A HA 0.444 4.764 4.320 -0.001 0.000 0.231 648 A C 0.084 177.580 177.584 -0.146 0.000 1.055 648 A CA 0.150 52.085 52.037 -0.170 0.000 0.756 648 A CB -0.076 18.811 19.000 -0.188 0.000 0.988 648 A HN 0.867 nan 8.150 nan 0.000 0.509 649 M N 0.484 119.999 119.600 -0.142 0.000 2.531 649 M HA 0.364 4.843 4.480 -0.001 0.000 0.286 649 M C -1.077 175.170 176.300 -0.089 0.000 1.232 649 M CA -0.090 55.158 55.300 -0.085 0.000 0.877 649 M CB 2.184 34.760 32.600 -0.039 0.000 1.726 649 M HN 0.782 nan 8.290 nan 0.000 0.463 650 Q N 3.844 123.645 119.800 0.000 0.000 2.322 650 Q HA 0.668 5.007 4.340 -0.001 0.000 0.265 650 Q C -1.674 174.414 176.000 0.145 0.000 0.985 650 Q CA -0.546 55.286 55.803 0.048 0.000 0.849 650 Q CB 1.937 30.744 28.738 0.115 0.000 1.274 650 Q HN 0.609 nan 8.270 nan 0.000 0.449 651 L N 4.444 125.714 121.223 0.078 0.000 2.372 651 L HA 0.534 4.874 4.340 -0.001 0.000 0.274 651 L C -2.394 174.580 176.870 0.173 0.000 0.988 651 L CA -2.218 52.636 54.840 0.024 0.000 0.833 651 L CB 1.829 43.684 42.059 -0.339 0.000 1.236 651 L HN 0.357 nan 8.230 nan 0.000 0.410 652 P HA 0.320 nan 4.420 nan 0.000 0.287 652 P C -1.101 176.351 177.300 0.254 0.000 1.281 652 P CA -0.246 62.991 63.100 0.227 0.000 0.781 652 P CB 1.480 33.287 31.700 0.178 0.000 0.903 653 L N 3.519 124.897 121.223 0.259 0.000 2.313 653 L HA 0.368 4.708 4.340 -0.001 0.000 0.283 653 L C 1.665 178.586 176.870 0.085 0.000 1.013 653 L CA -0.379 54.567 54.840 0.177 0.000 0.816 653 L CB 1.859 43.962 42.059 0.073 0.000 1.236 653 L HN 0.357 nan 8.230 nan 0.000 0.419 654 T N -3.358 111.232 114.554 0.061 0.000 3.086 654 T HA 0.103 4.453 4.350 -0.001 0.000 0.250 654 T C 0.468 175.159 174.700 -0.016 0.000 1.074 654 T CA -0.403 61.707 62.100 0.018 0.000 0.988 654 T CB -0.137 68.735 68.868 0.008 0.000 0.988 654 T HN 0.392 nan 8.240 nan 0.000 0.530 655 D N 2.439 122.830 120.400 -0.016 0.000 2.382 655 D HA 0.119 4.759 4.640 -0.001 0.000 0.240 655 D C 0.238 176.460 176.300 -0.129 0.000 1.146 655 D CA -0.029 53.950 54.000 -0.034 0.000 0.897 655 D CB 0.940 41.766 40.800 0.043 0.000 1.197 655 D HN 0.197 nan 8.370 nan 0.000 0.432 656 K N 3.087 123.425 120.400 -0.103 0.000 2.110 656 K HA 0.082 4.401 4.320 -0.001 0.000 0.260 656 K C -0.498 176.008 176.600 -0.155 0.000 1.126 656 K CA -0.297 55.920 56.287 -0.117 0.000 1.005 656 K CB -0.612 31.843 32.500 -0.075 0.000 1.336 656 K HN 0.214 nan 8.250 nan 0.000 0.369 657 I N 3.020 123.425 120.570 -0.274 0.000 2.634 657 I HA 0.059 4.229 4.170 -0.001 0.000 0.284 657 I C 1.170 177.187 176.117 -0.166 0.000 1.124 657 I CA 0.500 61.599 61.300 -0.335 0.000 1.417 657 I CB 1.192 38.775 38.000 -0.695 0.000 1.396 657 I HN 0.817 nan 8.210 nan 0.000 0.571 658 E N 4.341 124.494 120.200 -0.077 0.000 2.444 658 E HA 0.184 4.534 4.350 -0.001 0.000 0.209 658 E C 0.096 176.718 176.600 0.036 0.000 0.806 658 E CA 0.021 56.413 56.400 -0.013 0.000 1.240 658 E CB 1.191 30.894 29.700 0.004 0.000 1.238 658 E HN 0.596 nan 8.360 nan 0.000 0.591 659 K N 0.255 120.700 120.400 0.076 0.000 2.568 659 K HA 0.379 4.699 4.320 -0.001 0.000 0.273 659 K C -1.834 174.878 176.600 0.186 0.000 0.951 659 K CA -0.728 55.628 56.287 0.114 0.000 0.854 659 K CB 2.569 35.124 32.500 0.092 0.000 1.424 659 K HN -0.075 nan 8.250 nan 0.000 0.427 660 V N 4.725 124.738 119.914 0.164 0.000 2.370 660 V HA 0.191 4.311 4.120 -0.001 0.000 0.279 660 V C 0.357 176.475 176.094 0.040 0.000 1.029 660 V CA -0.413 61.959 62.300 0.119 0.000 0.870 660 V CB 1.246 33.133 31.823 0.108 0.000 0.984 660 V HN 0.689 nan 8.190 nan 0.000 0.451 661 L N 4.765 125.976 121.223 -0.021 0.000 2.316 661 L HA 0.428 4.768 4.340 -0.001 0.000 0.207 661 L C 0.113 177.048 176.870 0.108 0.000 1.070 661 L CA 1.215 56.054 54.840 -0.000 0.000 0.820 661 L CB -0.070 41.882 42.059 -0.178 0.000 0.992 661 L HN 0.602 nan 8.230 nan 0.000 0.466 662 F N -0.764 119.104 119.950 -0.137 0.000 2.615 662 F HA 0.640 5.167 4.527 -0.001 0.000 0.312 662 F C -1.390 174.321 175.800 -0.148 0.000 1.119 662 F CA -0.971 56.966 58.000 -0.105 0.000 0.979 662 F CB 1.478 40.425 39.000 -0.087 0.000 1.266 662 F HN -0.431 nan 8.300 nan 0.000 0.444 663 V N 5.955 125.309 119.914 -0.932 0.000 2.638 663 V HA 0.453 4.572 4.120 -0.001 0.000 0.306 663 V C -1.258 174.301 176.094 -0.891 0.000 1.052 663 V CA -0.791 61.079 62.300 -0.717 0.000 0.885 663 V CB 2.068 33.677 31.823 -0.357 0.000 0.999 663 V HN 0.826 nan 8.190 nan 0.000 0.424 664 N N 3.151 121.534 118.700 -0.528 0.000 2.352 664 N HA 0.624 5.364 4.740 -0.001 0.000 0.291 664 N C -0.044 175.397 175.510 -0.114 0.000 1.040 664 N CA 0.599 53.481 53.050 -0.279 0.000 0.864 664 N CB 2.247 40.706 38.487 -0.046 0.000 1.440 664 N HN 1.096 nan 8.380 nan 0.000 0.483 665 G N 2.078 110.828 108.800 -0.082 0.000 2.681 665 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.220 665 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.220 665 G C -0.715 174.138 174.900 -0.078 0.000 1.353 665 G CA -0.591 44.478 45.100 -0.052 0.000 0.872 665 G HN 0.711 nan 8.290 nan 0.000 0.557 666 E N 0.898 121.053 120.200 -0.075 0.000 2.129 666 E HA 0.498 4.848 4.350 -0.001 0.000 0.283 666 E C 0.392 176.932 176.600 -0.099 0.000 1.080 666 E CA 0.380 56.727 56.400 -0.089 0.000 0.867 666 E CB 0.169 29.810 29.700 -0.098 0.000 1.056 666 E HN 0.797 nan 8.360 nan 0.000 0.404 667 T N 1.762 116.264 114.554 -0.087 0.000 2.881 667 T HA 0.482 4.831 4.350 -0.001 0.000 0.290 667 T C -0.384 174.299 174.700 -0.028 0.000 1.000 667 T CA -0.953 61.104 62.100 -0.072 0.000 0.978 667 T CB 1.647 70.466 68.868 -0.081 0.000 0.997 667 T HN 0.428 nan 8.240 nan 0.000 0.443 668 Q N 1.255 121.050 119.800 -0.009 0.000 2.456 668 Q HA 0.517 4.856 4.340 -0.001 0.000 0.283 668 Q C -1.285 174.831 176.000 0.194 0.000 1.084 668 Q CA -1.007 54.847 55.803 0.084 0.000 0.801 668 Q CB 3.126 31.902 28.738 0.063 0.000 1.434 668 Q HN 0.827 nan 8.270 nan 0.000 0.419 669 Q N 1.561 121.490 119.800 0.215 0.000 2.377 669 Q HA 0.556 4.896 4.340 -0.001 0.000 0.271 669 Q C -1.641 174.355 176.000 -0.008 0.000 1.077 669 Q CA -0.632 55.204 55.803 0.055 0.000 0.820 669 Q CB 1.738 30.460 28.738 -0.027 0.000 1.347 669 Q HN 0.603 nan 8.270 nan 0.000 0.444 670 N N 1.515 120.045 118.700 -0.283 0.000 2.480 670 N HA 0.409 5.149 4.740 -0.001 0.000 0.289 670 N C -1.658 173.595 175.510 -0.428 0.000 1.073 670 N CA -0.131 52.633 53.050 -0.478 0.000 0.885 670 N CB 1.991 39.885 38.487 -0.988 0.000 1.421 670 N HN 0.757 nan 8.380 nan 0.000 0.503 675 S N 1.866 117.565 115.700 -0.002 0.000 3.576 675 S HA 0.609 5.079 4.470 -0.001 0.000 0.321 675 S C -1.451 173.198 174.600 0.083 0.000 1.174 675 S CA -0.827 57.398 58.200 0.042 0.000 1.102 675 S CB 0.856 64.079 63.200 0.039 0.000 1.467 675 S HN 0.392 nan 8.310 nan 0.000 0.701 676 Y N 0.695 120.983 120.300 -0.020 0.000 2.386 676 Y HA 0.635 5.184 4.550 -0.000 0.000 0.334 676 Y C -1.269 174.648 175.900 0.028 0.000 1.002 676 Y CA -0.099 57.992 58.100 -0.016 0.000 1.068 676 Y CB 2.322 40.753 38.460 -0.048 0.000 1.203 676 Y HN 0.826 nan 8.280 nan 0.000 0.443 677 T N 7.002 121.413 114.554 -0.238 0.000 2.881 677 T HA 0.375 4.725 4.350 -0.001 0.000 0.291 677 T C -1.270 173.473 174.700 0.072 0.000 0.990 677 T CA -0.574 61.550 62.100 0.039 0.000 0.976 677 T CB 1.033 69.960 68.868 0.098 0.000 0.970 677 T HN 0.578 nan 8.240 nan 0.000 0.438 678 L N 3.329 124.679 121.223 0.212 0.000 2.289 678 L HA 0.561 4.901 4.340 -0.001 0.000 0.285 678 L C 0.002 176.924 176.870 0.087 0.000 1.049 678 L CA -0.735 54.235 54.840 0.217 0.000 0.804 678 L CB 1.081 43.311 42.059 0.284 0.000 1.195 678 L HN 0.512 nan 8.230 nan 0.000 0.428 679 K N 6.094 126.474 120.400 -0.032 0.000 2.347 679 K HA 0.396 4.716 4.320 -0.001 0.000 0.262 679 K C -1.233 175.248 176.600 -0.198 0.000 1.052 679 K CA -0.470 55.631 56.287 -0.311 0.000 0.946 679 K CB 0.705 32.732 32.500 -0.788 0.000 1.220 679 K HN 0.615 nan 8.250 nan 0.000 0.450 680 L N 4.337 125.464 121.223 -0.161 0.000 2.259 680 L HA 0.333 4.673 4.340 -0.001 0.000 0.288 680 L C 0.905 177.687 176.870 -0.145 0.000 1.051 680 L CA -0.623 54.138 54.840 -0.131 0.000 0.824 680 L CB 1.217 43.207 42.059 -0.116 0.000 1.206 680 L HN 0.796 nan 8.230 nan 0.000 0.429 681 G N 2.449 111.166 108.800 -0.139 0.000 2.750 681 G HA2 0.221 4.181 3.960 -0.001 0.000 0.250 681 G HA3 0.221 4.181 3.960 -0.001 0.000 0.250 681 G C 0.441 175.257 174.900 -0.139 0.000 1.230 681 G CA -0.138 44.878 45.100 -0.140 0.000 0.883 681 G HN 0.703 nan 8.290 nan 0.000 0.573 682 G N -1.787 106.901 108.800 -0.187 0.000 2.380 682 G HA2 0.335 4.295 3.960 -0.001 0.000 0.242 682 G HA3 0.335 4.295 3.960 -0.001 0.000 0.242 682 G C 0.049 174.815 174.900 -0.223 0.000 1.298 682 G CA 0.151 45.050 45.100 -0.335 0.000 0.878 682 G HN 0.874 nan 8.290 nan 0.000 0.542 683 Y N -1.542 118.765 120.300 0.011 0.000 4.604 683 Y HA -0.303 4.247 4.550 -0.001 0.000 0.230 683 Y C 1.682 177.603 175.900 0.036 0.000 1.066 683 Y CA 0.107 58.222 58.100 0.026 0.000 1.990 683 Y CB -1.723 36.733 38.460 -0.007 0.000 1.619 683 Y HN 0.908 nan 8.280 nan 0.000 0.649 684 A N 0.261 123.149 122.820 0.114 0.000 2.271 684 A HA 0.791 5.111 4.320 -0.001 0.000 0.288 684 A C 0.330 177.980 177.584 0.110 0.000 1.094 684 A CA 0.286 52.364 52.037 0.068 0.000 0.828 684 A CB 0.920 19.907 19.000 -0.021 0.000 1.091 684 A HN 0.213 nan 8.150 nan 0.000 0.493 685 S N -1.392 114.358 115.700 0.084 0.000 2.564 685 S HA 0.685 5.155 4.470 -0.001 0.000 0.274 685 S C -1.194 173.368 174.600 -0.063 0.000 1.124 685 S CA -0.487 57.780 58.200 0.110 0.000 0.869 685 S CB 1.876 65.342 63.200 0.443 0.000 1.105 685 S HN 0.850 nan 8.310 nan 0.000 0.472 686 V N 1.570 121.354 119.914 -0.216 0.000 2.932 686 V HA 0.593 4.713 4.120 -0.001 0.000 0.307 686 V C -1.250 174.580 176.094 -0.441 0.000 1.147 686 V CA -0.671 61.409 62.300 -0.367 0.000 0.951 686 V CB 2.218 33.681 31.823 -0.600 0.000 1.031 686 V HN 0.694 nan 8.190 nan 0.000 0.426 687 V N 4.162 123.844 119.914 -0.387 0.000 2.409 687 V HA 0.539 4.659 4.120 -0.001 0.000 0.290 687 V C -0.857 175.031 176.094 -0.344 0.000 1.017 687 V CA -0.389 61.730 62.300 -0.302 0.000 0.841 687 V CB 1.304 33.058 31.823 -0.115 0.000 1.003 687 V HN 0.670 nan 8.190 nan 0.000 0.426 688 F N 3.029 122.923 119.950 -0.093 0.000 2.422 688 F HA 0.528 5.055 4.527 -0.000 0.000 0.333 688 F C 0.456 176.206 175.800 -0.082 0.000 1.095 688 F CA -0.643 57.308 58.000 -0.081 0.000 1.038 688 F CB 1.685 40.634 39.000 -0.084 0.000 1.156 688 F HN 0.284 nan 8.300 nan 0.000 0.483 689 K N 4.601 125.079 120.400 0.130 0.000 2.253 689 K HA 0.477 4.797 4.320 -0.001 0.000 0.277 689 K C -1.038 175.598 176.600 0.058 0.000 1.053 689 K CA -0.374 55.938 56.287 0.041 0.000 0.892 689 K CB 0.590 33.091 32.500 0.001 0.000 1.102 689 K HN 0.659 nan 8.250 nan 0.000 0.469 690 L N 2.941 124.192 121.223 0.046 0.000 2.399 690 L HA 0.397 4.737 4.340 -0.001 0.000 0.266 690 L C 1.119 177.987 176.870 -0.003 0.000 1.114 690 L CA -0.767 54.077 54.840 0.006 0.000 0.804 690 L CB 1.211 43.273 42.059 0.004 0.000 1.146 690 L HN 0.792 nan 8.230 nan 0.000 0.451 691 G N 0.000 108.786 108.800 -0.023 0.000 5.446 691 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 691 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 691 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 691 G HN 0.000 nan 8.290 nan 0.000 0.925