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 2v0m_1_B DATA FIRST_RESID 30 DATA SEQUENCE HGLFKKLGIP GPTPLPFLGN ILSYHKGFCM FDMECHKKYG KVWGFYDGQQ DATA SEQUENCE PVLAITDPDM IKTVLVKECY SVFTNRRPFG PVGFMKSAIS IAEDEEWKRL DATA SEQUENCE RSLLSPTFTS GKLKEMVPII AQYGDVLVRN LRREAETGKP VTLKDVFGAY DATA SEQUENCE SMDVITSTSF GVNIDSLNNP QDPFVENTKK LLRFXXLDPF FLSITVFPFL DATA SEQUENCE IPILEVLNIC VFPREVTNFL RKSVKRMKES RLEDXXXXXV DFLQLMIDSQ DATA SEQUENCE XXXXXXXXXA LSDLELVAQS IIFIFAGYET TSSVLSFIMY ELATHPDVQQ DATA SEQUENCE KLQEEIDAVL PNKAPPTYDT VLQMEYLDMV VNETLRLFPI AMRLERVCKK DATA SEQUENCE DVEINGMFIP KGVVVMIPSY ALHRDPKYWT EPEKFLPERF SKKNKDNIDP DATA SEQUENCE YIYTPFGSGP RNCIGMRFAL MNMKLALIRV LQNFSFKPCK ETQIPLKLSL DATA SEQUENCE GGLLQPEKPV VLKVESR 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 30 H HA 0.000 nan 4.556 nan 0.000 0.296 30 H C 0.000 175.177 175.328 -0.251 0.000 0.993 30 H CA 0.000 55.628 56.048 -0.699 0.000 1.023 30 H CB 0.000 29.430 29.762 -0.553 0.000 1.292 31 G N 0.717 109.517 108.800 -0.001 0.000 3.042 31 G HA2 -0.005 3.955 3.960 0.001 0.000 0.212 31 G HA3 -0.005 3.955 3.960 0.001 0.000 0.212 31 G C 1.327 176.265 174.900 0.063 0.000 1.166 31 G CA 0.122 45.249 45.100 0.044 0.000 0.767 31 G HN 0.116 nan 8.290 nan 0.000 0.546 32 L N -0.261 120.984 121.223 0.035 0.000 2.017 32 L HA 0.151 4.492 4.340 0.001 0.000 0.208 32 L C 2.257 179.101 176.870 -0.045 0.000 1.073 32 L CA 1.815 56.606 54.840 -0.082 0.000 0.745 32 L CB -0.488 41.403 42.059 -0.281 0.000 0.894 32 L HN 0.168 nan 8.230 nan 0.000 0.432 33 F N -0.048 120.017 119.950 0.191 0.000 2.259 33 F HA -0.038 4.490 4.527 0.001 0.000 0.298 33 F C 2.352 178.201 175.800 0.082 0.000 1.088 33 F CA 0.899 58.953 58.000 0.090 0.000 1.358 33 F CB -0.783 38.228 39.000 0.018 0.000 1.040 33 F HN 0.043 nan 8.300 nan 0.000 0.505 34 K N 0.480 121.033 120.400 0.256 0.000 2.026 34 K HA -0.220 4.100 4.320 0.001 0.000 0.208 34 K C 2.145 178.818 176.600 0.121 0.000 1.048 34 K CA 1.517 57.900 56.287 0.159 0.000 0.929 34 K CB -0.236 32.339 32.500 0.125 0.000 0.713 34 K HN 0.117 nan 8.250 nan 0.000 0.439 35 K N 1.170 121.633 120.400 0.105 0.000 2.032 35 K HA -0.127 4.194 4.320 0.001 0.000 0.209 35 K C 1.778 178.431 176.600 0.089 0.000 1.048 35 K CA 1.253 57.586 56.287 0.077 0.000 0.927 35 K CB -0.031 32.503 32.500 0.056 0.000 0.712 35 K HN 0.056 nan 8.250 nan 0.000 0.441 36 L N -0.314 120.987 121.223 0.130 0.000 2.610 36 L HA 0.127 4.467 4.340 0.001 0.000 0.232 36 L C 0.991 177.940 176.870 0.132 0.000 1.149 36 L CA 0.411 55.341 54.840 0.150 0.000 0.872 36 L CB -0.037 42.154 42.059 0.221 0.000 0.992 36 L HN 0.518 nan 8.230 nan 0.000 0.447 37 G N 1.249 110.122 108.800 0.121 0.000 2.198 37 G HA2 -0.283 3.678 3.960 0.001 0.000 0.257 37 G HA3 -0.283 3.678 3.960 0.001 0.000 0.257 37 G C -0.039 174.918 174.900 0.094 0.000 1.042 37 G CA -0.133 45.025 45.100 0.095 0.000 0.791 37 G HN 0.308 nan 8.290 nan 0.000 0.502 38 I N 2.069 122.712 120.570 0.120 0.000 2.339 38 I HA 0.361 4.532 4.170 0.001 0.000 0.290 38 I C -1.408 174.712 176.117 0.005 0.000 0.994 38 I CA -2.506 58.831 61.300 0.061 0.000 1.191 38 I CB 1.874 39.908 38.000 0.056 0.000 1.343 38 I HN -0.031 nan 8.210 nan 0.000 0.458 39 P HA 0.504 nan 4.420 nan 0.000 0.276 39 P C -0.259 176.766 177.300 -0.458 0.000 1.261 39 P CA -0.085 62.892 63.100 -0.204 0.000 0.800 39 P CB 1.349 32.953 31.700 -0.161 0.000 1.066 40 G N -0.454 107.899 108.800 -0.745 0.000 2.336 40 G HA2 0.327 4.288 3.960 0.001 0.000 0.300 40 G HA3 0.327 4.288 3.960 0.001 0.000 0.300 40 G C -3.313 171.450 174.900 -0.228 0.000 1.375 40 G CA -0.859 43.840 45.100 -0.670 0.000 0.885 40 G HN 0.474 nan 8.290 nan 0.000 0.599 41 P HA 0.343 nan 4.420 nan 0.000 0.272 41 P C 0.002 177.400 177.300 0.163 0.000 1.223 41 P CA 0.103 63.312 63.100 0.182 0.000 0.784 41 P CB 0.613 32.462 31.700 0.248 0.000 0.923 42 T N 4.106 118.734 114.554 0.123 0.000 2.779 42 T HA 0.272 4.623 4.350 0.001 0.000 0.296 42 T C -1.826 172.902 174.700 0.048 0.000 0.938 42 T CA -0.825 61.327 62.100 0.087 0.000 1.119 42 T CB -0.238 68.665 68.868 0.058 0.000 0.891 42 T HN 0.406 nan 8.240 nan 0.000 0.526 43 P HA 0.321 nan 4.420 nan 0.000 0.277 43 P C -0.455 176.745 177.300 -0.167 0.000 1.240 43 P CA -0.606 62.405 63.100 -0.148 0.000 0.798 43 P CB 0.910 32.285 31.700 -0.541 0.000 0.979 44 L N 3.137 124.305 121.223 -0.092 0.000 2.399 44 L HA 0.362 4.703 4.340 0.001 0.000 0.266 44 L C -2.009 174.886 176.870 0.042 0.000 1.114 44 L CA -2.326 52.506 54.840 -0.013 0.000 0.804 44 L CB 0.345 42.422 42.059 0.030 0.000 1.146 44 L HN 0.193 nan 8.230 nan 0.000 0.451 45 P HA 0.061 nan 4.420 nan 0.000 0.266 45 P C 0.114 177.601 177.300 0.312 0.000 1.195 45 P CA 0.204 63.415 63.100 0.185 0.000 0.768 45 P CB 0.307 32.097 31.700 0.150 0.000 0.838 46 F N -1.008 119.073 119.950 0.218 0.000 2.571 46 F HA -0.376 4.152 4.527 0.001 0.000 0.671 46 F C 1.718 177.568 175.800 0.084 0.000 0.488 46 F CA 1.413 59.533 58.000 0.201 0.000 0.731 46 F CB -1.621 37.570 39.000 0.318 0.000 1.619 46 F HN 0.240 nan 8.300 nan 0.000 0.262 47 L N -0.639 120.737 121.223 0.256 0.000 2.179 47 L HA 0.203 4.544 4.340 0.001 0.000 0.208 47 L C 2.074 179.000 176.870 0.093 0.000 1.096 47 L CA 0.918 55.812 54.840 0.090 0.000 0.779 47 L CB -1.144 40.956 42.059 0.067 0.000 0.922 47 L HN 0.705 nan 8.230 nan 0.000 0.443 48 G N 1.132 110.001 108.800 0.116 0.000 2.557 48 G HA2 -0.401 3.560 3.960 0.001 0.000 0.292 48 G HA3 -0.401 3.560 3.960 0.001 0.000 0.292 48 G C 0.368 175.290 174.900 0.036 0.000 1.162 48 G CA 0.668 45.807 45.100 0.066 0.000 0.964 48 G HN 0.435 nan 8.290 nan 0.000 0.541 49 N N 1.003 119.749 118.700 0.077 0.000 2.177 49 N HA 0.330 5.071 4.740 0.001 0.000 0.218 49 N C 1.907 177.219 175.510 -0.330 0.000 1.182 49 N CA 0.561 53.572 53.050 -0.065 0.000 0.882 49 N CB 0.251 38.767 38.487 0.050 0.000 1.052 49 N HN 0.693 nan 8.380 nan 0.000 0.519 50 I N -1.598 118.859 120.570 -0.189 0.000 2.657 50 I HA -0.174 3.997 4.170 0.001 0.000 0.261 50 I C 1.375 177.389 176.117 -0.173 0.000 1.212 50 I CA 1.351 62.548 61.300 -0.172 0.000 1.453 50 I CB -0.310 37.722 38.000 0.054 0.000 1.092 50 I HN 0.095 nan 8.210 nan 0.000 0.452 51 L N 0.490 121.618 121.223 -0.158 0.000 2.313 51 L HA -0.047 4.294 4.340 0.001 0.000 0.214 51 L C 2.480 179.287 176.870 -0.105 0.000 1.119 51 L CA 0.721 55.497 54.840 -0.105 0.000 0.809 51 L CB -0.453 41.553 42.059 -0.089 0.000 0.933 51 L HN 0.279 nan 8.230 nan 0.000 0.449 52 S N -0.995 114.543 115.700 -0.271 0.000 2.419 52 S HA -0.168 4.303 4.470 0.001 0.000 0.233 52 S C 1.596 176.001 174.600 -0.326 0.000 1.016 52 S CA 0.935 58.971 58.200 -0.274 0.000 0.974 52 S CB -0.386 62.473 63.200 -0.569 0.000 0.786 52 S HN 0.448 nan 8.310 nan 0.000 0.492 53 Y N 2.256 122.297 120.300 -0.431 0.000 2.680 53 Y HA -0.114 4.437 4.550 0.001 0.000 0.303 53 Y C 2.559 178.299 175.900 -0.267 0.000 1.166 53 Y CA 0.487 58.292 58.100 -0.492 0.000 1.344 53 Y CB -0.501 37.567 38.460 -0.654 0.000 1.002 53 Y HN 0.526 nan 8.280 nan 0.000 0.537 54 H N -0.137 118.881 119.070 -0.087 0.000 2.422 54 H HA -0.092 4.464 4.556 0.001 0.000 0.298 54 H C 1.051 176.361 175.328 -0.031 0.000 1.098 54 H CA 1.185 57.204 56.048 -0.048 0.000 1.315 54 H CB -0.052 29.686 29.762 -0.041 0.000 1.382 54 H HN 0.208 nan 8.280 nan 0.000 0.523 55 K N 1.000 121.008 120.400 -0.654 0.000 2.417 55 K HA 0.194 4.515 4.320 0.001 0.000 0.196 55 K C 0.406 176.895 176.600 -0.185 0.000 1.023 55 K CA 0.592 56.615 56.287 -0.439 0.000 1.122 55 K CB 0.462 32.675 32.500 -0.478 0.000 0.850 55 K HN 0.614 nan 8.250 nan 0.000 0.521 56 G N 0.717 109.436 108.800 -0.134 0.000 2.719 56 G HA2 -0.238 3.723 3.960 0.001 0.000 0.686 56 G HA3 -0.238 3.723 3.960 0.001 0.000 0.686 56 G C 0.282 175.186 174.900 0.007 0.000 1.201 56 G CA -0.813 44.248 45.100 -0.066 0.000 0.768 56 G HN 0.057 nan 8.290 nan 0.000 0.629 57 F N 0.421 120.355 119.950 -0.027 0.000 2.147 57 F HA -0.206 4.322 4.527 0.001 0.000 0.301 57 F C 3.128 178.964 175.800 0.060 0.000 1.084 57 F CA 2.443 60.478 58.000 0.058 0.000 1.268 57 F CB -0.405 38.529 39.000 -0.111 0.000 1.009 57 F HN 0.576 nan 8.300 nan 0.000 0.486 58 C N -0.869 118.460 119.300 0.047 0.000 2.475 58 C HA -0.110 4.351 4.460 0.001 0.000 0.279 58 C C 2.840 177.795 174.990 -0.058 0.000 1.322 58 C CA 0.518 59.404 59.018 -0.220 0.000 1.734 58 C CB -0.806 26.398 27.740 -0.893 0.000 2.005 58 C HN 0.502 nan 8.230 nan 0.000 0.495 59 M N -0.447 119.136 119.600 -0.029 0.000 2.156 59 M HA -0.059 4.422 4.480 0.001 0.000 0.264 59 M C 2.054 178.378 176.300 0.041 0.000 1.067 59 M CA 1.637 56.942 55.300 0.007 0.000 1.131 59 M CB -0.388 32.194 32.600 -0.031 0.000 1.368 59 M HN 0.507 nan 8.290 nan 0.000 0.416 60 F N 1.420 121.319 119.950 -0.084 0.000 2.065 60 F HA -0.342 4.185 4.527 0.001 0.000 0.298 60 F C 1.704 177.440 175.800 -0.107 0.000 1.112 60 F CA 2.040 59.964 58.000 -0.126 0.000 1.212 60 F CB -0.237 38.669 39.000 -0.156 0.000 0.975 60 F HN 0.190 nan 8.300 nan 0.000 0.476 61 D N 0.238 120.604 120.400 -0.056 0.000 2.104 61 D HA -0.208 4.433 4.640 0.001 0.000 0.194 61 D C 2.390 178.637 176.300 -0.089 0.000 0.994 61 D CA 1.420 55.391 54.000 -0.049 0.000 0.830 61 D CB -0.353 40.573 40.800 0.210 0.000 0.959 61 D HN 0.267 nan 8.370 nan 0.000 0.452 62 M N 0.554 120.160 119.600 0.010 0.000 2.082 62 M HA -0.155 4.326 4.480 0.001 0.000 0.258 62 M C 2.020 178.242 176.300 -0.129 0.000 1.069 62 M CA 1.423 56.736 55.300 0.022 0.000 1.102 62 M CB -0.844 31.807 32.600 0.084 0.000 1.336 62 M HN 0.139 nan 8.290 nan 0.000 0.404 63 E N -0.743 119.329 120.200 -0.215 0.000 2.106 63 E HA -0.156 4.195 4.350 0.001 0.000 0.192 63 E C 2.166 178.460 176.600 -0.510 0.000 0.984 63 E CA 1.210 57.431 56.400 -0.300 0.000 0.806 63 E CB -0.030 29.529 29.700 -0.234 0.000 0.750 63 E HN 0.506 nan 8.360 nan 0.000 0.458 64 C N 0.147 119.012 119.300 -0.726 0.000 2.446 64 C HA -0.098 4.363 4.460 0.001 0.000 0.277 64 C C 2.584 176.842 174.990 -1.221 0.000 1.275 64 C CA 0.743 59.106 59.018 -1.091 0.000 1.727 64 C CB -0.993 25.767 27.740 -1.633 0.000 2.010 64 C HN 0.505 nan 8.230 nan 0.000 0.486 65 H N 1.477 119.861 119.070 -1.143 0.000 2.321 65 H HA -0.111 4.446 4.556 0.002 0.000 0.300 65 H C 2.140 177.259 175.328 -0.349 0.000 1.087 65 H CA 2.219 57.875 56.048 -0.653 0.000 1.319 65 H CB -0.194 29.463 29.762 -0.176 0.000 1.379 65 H HN 0.302 nan 8.280 nan 0.000 0.501 66 K N 0.733 120.905 120.400 -0.380 0.000 1.973 66 K HA -0.093 4.228 4.320 0.001 0.000 0.212 66 K C 2.245 178.616 176.600 -0.381 0.000 1.047 66 K CA 1.763 57.840 56.287 -0.351 0.000 0.937 66 K CB -0.085 32.258 32.500 -0.262 0.000 0.721 66 K HN 0.212 nan 8.250 nan 0.000 0.440 67 K N -1.151 118.936 120.400 -0.522 0.000 2.032 67 K HA -0.178 4.143 4.320 0.001 0.000 0.209 67 K C 2.050 178.292 176.600 -0.596 0.000 1.048 67 K CA 1.949 57.825 56.287 -0.685 0.000 0.927 67 K CB -0.186 31.635 32.500 -1.133 0.000 0.712 67 K HN 0.232 nan 8.250 nan 0.000 0.441 68 Y N -1.218 118.932 120.300 -0.250 0.000 2.524 68 Y HA 0.195 4.746 4.550 0.002 0.000 0.270 68 Y C 1.468 177.365 175.900 -0.006 0.000 1.094 68 Y CA 0.366 58.397 58.100 -0.116 0.000 1.276 68 Y CB 0.562 38.961 38.460 -0.101 0.000 1.130 68 Y HN 0.281 nan 8.280 nan 0.000 0.536 69 G N 0.503 109.366 108.800 0.105 0.000 2.601 69 G HA2 -0.269 3.692 3.960 0.001 0.000 0.224 69 G HA3 -0.269 3.692 3.960 0.001 0.000 0.224 69 G C 0.956 176.094 174.900 0.397 0.000 1.171 69 G CA 0.057 45.243 45.100 0.143 0.000 1.009 69 G HN 0.145 nan 8.290 nan 0.000 0.589 70 K N -0.581 120.001 120.400 0.304 0.000 2.097 70 K HA 0.351 4.672 4.320 0.001 0.000 0.205 70 K C 0.718 177.477 176.600 0.264 0.000 1.050 70 K CA 1.530 57.991 56.287 0.290 0.000 0.938 70 K CB 0.144 32.741 32.500 0.161 0.000 0.718 70 K HN 0.321 nan 8.250 nan 0.000 0.442 71 V N 0.613 120.684 119.914 0.261 0.000 2.808 71 V HA 0.403 4.524 4.120 0.001 0.000 0.308 71 V C -1.870 174.356 176.094 0.220 0.000 1.099 71 V CA -0.861 61.488 62.300 0.081 0.000 0.920 71 V CB 1.632 33.448 31.823 -0.011 0.000 1.014 71 V HN 0.455 nan 8.190 nan 0.000 0.425 72 W N 3.201 124.433 121.300 -0.113 0.000 3.074 72 W HA 0.899 5.561 4.660 0.002 0.000 0.332 72 W C -0.499 175.770 176.519 -0.418 0.000 1.253 72 W CA -0.831 56.370 57.345 -0.241 0.000 1.180 72 W CB 1.354 30.720 29.460 -0.157 0.000 1.445 72 W HN 0.853 nan 8.180 nan 0.000 0.573 73 G N 1.113 109.637 108.800 -0.460 0.000 2.571 73 G HA2 0.827 4.788 3.960 0.001 0.000 0.304 73 G HA3 0.827 4.788 3.960 0.001 0.000 0.304 73 G C -1.899 172.766 174.900 -0.393 0.000 1.314 73 G CA -0.924 43.460 45.100 -1.193 0.000 0.975 73 G HN 1.139 nan 8.290 nan 0.000 0.485 74 F N -0.697 119.010 119.950 -0.405 0.000 2.754 74 F HA 0.819 5.347 4.527 0.002 0.000 0.320 74 F C -2.090 173.625 175.800 -0.142 0.000 1.156 74 F CA -2.048 55.915 58.000 -0.061 0.000 0.950 74 F CB 1.486 40.634 39.000 0.247 0.000 1.388 74 F HN 0.397 nan 8.300 nan 0.000 0.485 75 Y N -0.016 120.495 120.300 0.351 0.000 2.373 75 Y HA 0.417 4.967 4.550 0.001 0.000 0.336 75 Y C -1.219 174.828 175.900 0.245 0.000 0.979 75 Y CA -1.084 57.150 58.100 0.223 0.000 1.080 75 Y CB 1.628 40.230 38.460 0.237 0.000 1.190 75 Y HN 0.430 nan 8.280 nan 0.000 0.446 76 D N 3.078 123.680 120.400 0.335 0.000 2.456 76 D HA 0.406 5.046 4.640 0.001 0.000 0.219 76 D C 0.911 177.337 176.300 0.210 0.000 1.126 76 D CA 0.826 55.004 54.000 0.297 0.000 0.890 76 D CB 1.070 42.060 40.800 0.318 0.000 1.025 76 D HN 0.876 nan 8.370 nan 0.000 0.511 77 G N 3.426 112.325 108.800 0.166 0.000 2.601 77 G HA2 -0.409 3.552 3.960 0.001 0.000 0.306 77 G HA3 -0.409 3.552 3.960 0.001 0.000 0.306 77 G C 0.872 175.902 174.900 0.217 0.000 1.172 77 G CA 0.397 45.557 45.100 0.099 0.000 0.966 77 G HN 0.481 nan 8.290 nan 0.000 0.542 78 Q N -0.006 119.880 119.800 0.144 0.000 2.319 78 Q HA 0.360 4.700 4.340 0.001 0.000 0.209 78 Q C 1.093 177.205 176.000 0.188 0.000 0.884 78 Q CA 0.793 56.641 55.803 0.076 0.000 0.938 78 Q CB 0.424 29.135 28.738 -0.045 0.000 1.098 78 Q HN 0.564 nan 8.270 nan 0.000 0.517 79 Q N 1.733 121.657 119.800 0.206 0.000 2.296 79 Q HA 0.185 4.526 4.340 0.001 0.000 0.263 79 Q C -2.445 173.667 176.000 0.187 0.000 1.026 79 Q CA -2.431 53.470 55.803 0.164 0.000 0.912 79 Q CB 0.889 29.695 28.738 0.113 0.000 1.198 79 Q HN -0.057 nan 8.270 nan 0.000 0.407 80 P HA 0.028 nan 4.420 nan 0.000 0.271 80 P C -1.185 176.076 177.300 -0.065 0.000 1.226 80 P CA -0.031 63.036 63.100 -0.055 0.000 0.765 80 P CB 0.802 32.377 31.700 -0.209 0.000 0.835 81 V N 5.364 125.119 119.914 -0.264 0.000 2.376 81 V HA 0.260 4.381 4.120 0.001 0.000 0.287 81 V C -0.107 175.619 176.094 -0.614 0.000 1.015 81 V CA -0.696 61.295 62.300 -0.515 0.000 0.834 81 V CB 1.450 32.698 31.823 -0.958 0.000 1.001 81 V HN 0.350 nan 8.190 nan 0.000 0.428 82 L N 5.273 126.292 121.223 -0.340 0.000 2.264 82 L HA 0.843 5.184 4.340 0.001 0.000 0.289 82 L C 0.397 176.993 176.870 -0.457 0.000 1.044 82 L CA -0.072 54.507 54.840 -0.436 0.000 0.807 82 L CB 1.057 43.001 42.059 -0.192 0.000 1.192 82 L HN 0.716 nan 8.230 nan 0.000 0.425 83 A N 7.139 129.544 122.820 -0.692 0.000 2.260 83 A HA 0.665 4.986 4.320 0.001 0.000 0.308 83 A C -0.295 176.815 177.584 -0.790 0.000 1.254 83 A CA -0.597 50.943 52.037 -0.829 0.000 0.874 83 A CB -0.071 18.074 19.000 -1.425 0.000 1.153 83 A HN 0.809 nan 8.150 nan 0.000 0.527 84 I N -0.346 119.930 120.570 -0.490 0.000 2.607 84 I HA 0.716 4.887 4.170 0.001 0.000 0.305 84 I C 0.362 176.331 176.117 -0.246 0.000 0.995 84 I CA -0.538 60.567 61.300 -0.325 0.000 1.148 84 I CB 2.192 40.045 38.000 -0.245 0.000 1.323 84 I HN 0.361 nan 8.210 nan 0.000 0.461 85 T N 0.969 115.453 114.554 -0.117 0.000 2.969 85 T HA 0.101 4.452 4.350 0.001 0.000 0.258 85 T C -0.018 174.700 174.700 0.032 0.000 0.962 85 T CA 0.089 62.173 62.100 -0.026 0.000 0.903 85 T CB -0.097 68.838 68.868 0.110 0.000 1.177 85 T HN 0.837 nan 8.240 nan 0.000 0.511 86 D N 1.731 122.140 120.400 0.015 0.000 2.348 86 D HA 0.228 4.869 4.640 0.001 0.000 0.253 86 D C -1.604 174.685 176.300 -0.019 0.000 1.161 86 D CA -1.987 52.033 54.000 0.033 0.000 0.876 86 D CB 1.734 42.547 40.800 0.021 0.000 1.160 86 D HN 0.004 nan 8.370 nan 0.000 0.459 87 P HA -0.147 nan 4.420 nan 0.000 0.215 87 P C 0.651 177.870 177.300 -0.135 0.000 1.157 87 P CA 0.955 64.040 63.100 -0.025 0.000 0.874 87 P CB 0.205 31.930 31.700 0.041 0.000 0.790 88 D N -1.407 118.939 120.400 -0.090 0.000 2.149 88 D HA -0.177 4.464 4.640 0.001 0.000 0.198 88 D C 1.874 178.075 176.300 -0.165 0.000 0.990 88 D CA 1.226 55.152 54.000 -0.124 0.000 0.839 88 D CB -0.583 40.183 40.800 -0.056 0.000 0.948 88 D HN 0.191 nan 8.370 nan 0.000 0.460 89 M N -0.226 119.293 119.600 -0.135 0.000 2.193 89 M HA -0.038 4.443 4.480 0.001 0.000 0.265 89 M C 1.974 178.144 176.300 -0.217 0.000 1.071 89 M CA 1.003 56.214 55.300 -0.147 0.000 1.140 89 M CB 0.101 32.635 32.600 -0.111 0.000 1.369 89 M HN -0.108 nan 8.290 nan 0.000 0.423 90 I N 0.441 120.881 120.570 -0.218 0.000 2.127 90 I HA -0.360 3.811 4.170 0.001 0.000 0.241 90 I C 2.478 178.396 176.117 -0.330 0.000 1.075 90 I CA 1.716 62.877 61.300 -0.233 0.000 1.334 90 I CB -0.670 37.255 38.000 -0.126 0.000 1.040 90 I HN 0.363 nan 8.210 nan 0.000 0.405 91 K N 0.532 120.577 120.400 -0.591 0.000 2.113 91 K HA -0.217 4.103 4.320 0.001 0.000 0.208 91 K C 1.988 178.372 176.600 -0.360 0.000 1.047 91 K CA 2.100 57.895 56.287 -0.819 0.000 0.928 91 K CB -0.110 31.700 32.500 -1.150 0.000 0.716 91 K HN 0.314 nan 8.250 nan 0.000 0.446 92 T N 0.481 114.876 114.554 -0.265 0.000 2.777 92 T HA -0.115 4.236 4.350 0.001 0.000 0.266 92 T C 1.806 176.433 174.700 -0.122 0.000 1.040 92 T CA 1.432 63.448 62.100 -0.140 0.000 1.141 92 T CB -0.139 68.673 68.868 -0.093 0.000 0.868 92 T HN 0.329 nan 8.240 nan 0.000 0.444 93 V N -0.120 119.626 119.914 -0.279 0.000 2.649 93 V HA 0.169 4.290 4.120 0.001 0.000 0.248 93 V C 2.029 177.984 176.094 -0.232 0.000 1.054 93 V CA 1.146 63.160 62.300 -0.476 0.000 1.073 93 V CB -0.778 30.391 31.823 -1.090 0.000 0.699 93 V HN 0.435 nan 8.190 nan 0.000 0.463 94 L N -0.583 120.533 121.223 -0.178 0.000 2.307 94 L HA 0.113 4.454 4.340 0.001 0.000 0.211 94 L C 2.221 179.068 176.870 -0.037 0.000 1.099 94 L CA 0.805 55.593 54.840 -0.087 0.000 0.816 94 L CB 0.158 42.202 42.059 -0.026 0.000 0.952 94 L HN 0.290 nan 8.230 nan 0.000 0.455 95 V N -1.134 118.757 119.914 -0.038 0.000 3.001 95 V HA -0.004 4.117 4.120 0.001 0.000 0.228 95 V C 2.057 178.151 176.094 0.000 0.000 1.204 95 V CA 0.449 62.749 62.300 0.001 0.000 1.247 95 V CB -0.057 31.797 31.823 0.052 0.000 1.093 95 V HN 0.176 nan 8.190 nan 0.000 0.504 96 K N 0.548 120.951 120.400 0.006 0.000 2.031 96 K HA -0.031 4.290 4.320 0.001 0.000 0.205 96 K C 1.264 177.908 176.600 0.074 0.000 1.049 96 K CA 1.117 57.429 56.287 0.042 0.000 0.939 96 K CB 0.003 32.519 32.500 0.027 0.000 0.717 96 K HN 0.311 nan 8.250 nan 0.000 0.438 97 E N 0.431 120.691 120.200 0.100 0.000 2.496 97 E HA 0.013 4.364 4.350 0.001 0.000 0.202 97 E C 1.074 177.767 176.600 0.154 0.000 1.021 97 E CA -0.060 56.430 56.400 0.150 0.000 1.015 97 E CB -0.116 29.723 29.700 0.231 0.000 1.102 97 E HN 0.223 nan 8.360 nan 0.000 0.452 98 C N -0.350 118.973 119.300 0.039 0.000 2.436 98 C HA -0.157 4.303 4.460 0.001 0.000 0.277 98 C C 2.240 177.187 174.990 -0.072 0.000 1.241 98 C CA 0.833 59.808 59.018 -0.072 0.000 1.721 98 C CB -0.861 26.714 27.740 -0.274 0.000 2.043 98 C HN 0.518 nan 8.230 nan 0.000 0.472 99 Y N 1.739 122.111 120.300 0.119 0.000 2.263 99 Y HA -0.129 4.424 4.550 0.004 0.000 0.292 99 Y C 2.999 178.933 175.900 0.057 0.000 1.130 99 Y CA 1.615 59.785 58.100 0.118 0.000 1.179 99 Y CB -0.280 38.254 38.460 0.124 0.000 0.998 99 Y HN 0.521 nan 8.280 nan 0.000 0.532 100 S N -1.290 114.509 115.700 0.165 0.000 2.377 100 S HA -0.088 4.383 4.470 0.001 0.000 0.223 100 S C 1.703 176.268 174.600 -0.059 0.000 1.030 100 S CA 1.036 59.271 58.200 0.059 0.000 0.970 100 S CB -0.096 63.130 63.200 0.043 0.000 0.830 100 S HN 0.296 nan 8.310 nan 0.000 0.473 101 V N -1.372 118.442 119.914 -0.166 0.000 3.332 101 V HA 0.493 4.613 4.120 0.001 0.000 0.263 101 V C -1.041 174.660 176.094 -0.655 0.000 1.562 101 V CA -0.364 61.662 62.300 -0.456 0.000 1.040 101 V CB 0.447 31.883 31.823 -0.644 0.000 0.857 101 V HN 0.411 nan 8.190 nan 0.000 0.428 102 F N 1.289 121.204 119.950 -0.058 0.000 2.449 102 F HA 0.496 5.025 4.527 0.003 0.000 0.329 102 F C 1.210 176.926 175.800 -0.139 0.000 1.245 102 F CA 0.016 57.958 58.000 -0.096 0.000 1.193 102 F CB 1.269 40.206 39.000 -0.105 0.000 1.425 102 F HN -0.068 nan 8.300 nan 0.000 0.544 103 T N -1.441 113.096 114.554 -0.028 0.000 3.021 103 T HA 0.098 4.449 4.350 0.001 0.000 0.245 103 T C 0.791 175.326 174.700 -0.275 0.000 1.028 103 T CA 0.378 62.391 62.100 -0.144 0.000 1.139 103 T CB 0.084 68.933 68.868 -0.031 0.000 0.884 103 T HN 0.151 nan 8.240 nan 0.000 0.457 104 N N 1.504 120.113 118.700 -0.152 0.000 2.443 104 N HA 0.430 5.171 4.740 0.001 0.000 0.293 104 N C -0.210 175.235 175.510 -0.108 0.000 1.159 104 N CA -0.576 52.378 53.050 -0.159 0.000 0.904 104 N CB 1.662 40.108 38.487 -0.069 0.000 1.214 104 N HN 0.180 nan 8.380 nan 0.000 0.513 105 R N 0.309 120.747 120.500 -0.104 0.000 2.531 105 R HA 0.316 4.657 4.340 0.001 0.000 0.260 105 R C 0.334 176.629 176.300 -0.007 0.000 1.144 105 R CA -0.718 55.345 56.100 -0.060 0.000 1.171 105 R CB 0.729 30.987 30.300 -0.071 0.000 1.199 105 R HN 0.384 nan 8.270 nan 0.000 0.594 106 R N 1.950 122.458 120.500 0.013 0.000 2.538 106 R HA 0.035 4.376 4.340 0.001 0.000 0.282 106 R C -1.894 174.467 176.300 0.102 0.000 1.009 106 R CA -0.837 55.297 56.100 0.057 0.000 1.063 106 R CB 0.136 30.480 30.300 0.073 0.000 0.945 106 R HN 0.359 nan 8.270 nan 0.000 0.414 107 P HA -0.088 nan 4.420 nan 0.000 0.266 107 P C -1.095 176.341 177.300 0.228 0.000 1.193 107 P CA 0.495 63.675 63.100 0.133 0.000 0.770 107 P CB 0.315 32.069 31.700 0.089 0.000 0.836 108 F N 1.383 121.357 119.950 0.040 0.000 2.653 108 F HA 0.597 5.124 4.527 0.001 0.000 0.327 108 F C -0.351 175.474 175.800 0.041 0.000 1.195 108 F CA 0.073 58.101 58.000 0.046 0.000 0.993 108 F CB 1.760 40.793 39.000 0.055 0.000 1.259 108 F HN 0.532 nan 8.300 nan 0.000 0.478 109 G N 4.523 113.037 108.800 -0.476 0.000 2.649 109 G HA2 0.632 4.593 3.960 0.001 0.000 0.290 109 G HA3 0.632 4.593 3.960 0.001 0.000 0.290 109 G C -3.480 171.150 174.900 -0.449 0.000 1.426 109 G CA -1.485 43.400 45.100 -0.359 0.000 0.794 109 G HN 0.278 nan 8.290 nan 0.000 0.483 110 P HA 0.335 nan 4.420 nan 0.000 0.286 110 P C 0.187 177.410 177.300 -0.128 0.000 1.269 110 P CA -0.296 62.727 63.100 -0.129 0.000 0.787 110 P CB 2.318 33.993 31.700 -0.041 0.000 0.920 111 V N 2.477 122.367 119.914 -0.040 0.000 3.572 111 V HA 0.281 4.401 4.120 0.001 0.000 0.260 111 V C 1.304 177.460 176.094 0.103 0.000 1.324 111 V CA 1.418 63.740 62.300 0.036 0.000 1.068 111 V CB -0.457 31.445 31.823 0.132 0.000 0.837 111 V HN 0.909 nan 8.190 nan 0.000 0.450 112 G N 1.755 110.618 108.800 0.104 0.000 2.596 112 G HA2 -0.447 3.514 3.960 0.001 0.000 0.304 112 G HA3 -0.447 3.514 3.960 0.001 0.000 0.304 112 G C 0.594 175.600 174.900 0.176 0.000 1.189 112 G CA 1.132 46.337 45.100 0.175 0.000 0.986 112 G HN 1.088 nan 8.290 nan 0.000 0.548 113 F N -0.338 119.691 119.950 0.132 0.000 2.604 113 F HA 0.448 4.976 4.527 0.001 0.000 0.298 113 F C 2.395 178.268 175.800 0.121 0.000 1.131 113 F CA 1.515 59.578 58.000 0.105 0.000 1.457 113 F CB -0.177 38.868 39.000 0.076 0.000 1.095 113 F HN 0.142 nan 8.300 nan 0.000 0.574 114 M N 1.835 121.123 119.600 -0.519 0.000 2.618 114 M HA 0.030 4.511 4.480 0.001 0.000 0.240 114 M C 1.832 178.120 176.300 -0.020 0.000 1.123 114 M CA 0.534 55.624 55.300 -0.350 0.000 1.060 114 M CB -0.687 31.703 32.600 -0.350 0.000 1.535 114 M HN 0.434 nan 8.290 nan 0.000 0.507 115 K N 0.080 120.506 120.400 0.043 0.000 2.218 115 K HA -0.119 4.201 4.320 0.001 0.000 0.205 115 K C 1.592 178.254 176.600 0.104 0.000 1.046 115 K CA 1.959 58.304 56.287 0.096 0.000 0.933 115 K CB -0.653 31.906 32.500 0.098 0.000 0.728 115 K HN 0.188 nan 8.250 nan 0.000 0.454 116 S N 1.395 117.152 115.700 0.094 0.000 2.428 116 S HA 0.062 4.533 4.470 0.001 0.000 0.230 116 S C 1.163 175.835 174.600 0.121 0.000 1.014 116 S CA 0.252 58.515 58.200 0.105 0.000 0.957 116 S CB -0.339 62.921 63.200 0.100 0.000 0.784 116 S HN 0.516 nan 8.310 nan 0.000 0.499 117 A N 1.956 124.844 122.820 0.112 0.000 2.598 117 A HA 0.153 4.474 4.320 0.001 0.000 0.239 117 A C 1.221 178.920 177.584 0.191 0.000 1.032 117 A CA -0.020 52.100 52.037 0.139 0.000 0.760 117 A CB -0.500 18.569 19.000 0.114 0.000 0.946 117 A HN 0.471 nan 8.150 nan 0.000 0.512 118 I N 2.674 123.383 120.570 0.232 0.000 2.248 118 I HA -0.315 3.856 4.170 0.001 0.000 0.248 118 I C 2.389 178.716 176.117 0.350 0.000 1.107 118 I CA 2.339 63.831 61.300 0.319 0.000 1.373 118 I CB 0.039 38.233 38.000 0.323 0.000 1.055 118 I HN 0.835 nan 8.210 nan 0.000 0.418 119 S N 1.317 117.168 115.700 0.252 0.000 2.402 119 S HA -0.120 4.351 4.470 0.001 0.000 0.229 119 S C 1.827 176.492 174.600 0.108 0.000 1.021 119 S CA 1.134 59.438 58.200 0.174 0.000 0.974 119 S CB -0.495 62.784 63.200 0.132 0.000 0.800 119 S HN 0.695 nan 8.310 nan 0.000 0.484 120 I N -0.814 119.834 120.570 0.130 0.000 4.025 120 I HA 0.534 4.705 4.170 0.001 0.000 0.336 120 I C 0.569 176.763 176.117 0.128 0.000 1.390 120 I CA -0.560 60.806 61.300 0.110 0.000 1.099 120 I CB -0.766 37.321 38.000 0.144 0.000 1.049 120 I HN 0.189 nan 8.210 nan 0.000 0.394 121 A N 1.834 124.762 122.820 0.180 0.000 2.425 121 A HA 0.363 4.684 4.320 0.001 0.000 0.242 121 A C 0.030 177.731 177.584 0.195 0.000 1.077 121 A CA 0.056 52.224 52.037 0.217 0.000 0.781 121 A CB 0.275 19.458 19.000 0.305 0.000 1.020 121 A HN 0.579 nan 8.150 nan 0.000 0.494 122 E N 0.784 121.098 120.200 0.189 0.000 2.221 122 E HA 0.364 4.715 4.350 0.001 0.000 0.268 122 E C -0.500 176.238 176.600 0.230 0.000 0.933 122 E CA -0.805 55.684 56.400 0.149 0.000 0.809 122 E CB 1.103 30.862 29.700 0.098 0.000 1.190 122 E HN 0.770 nan 8.360 nan 0.000 0.406 123 D N 1.404 121.941 120.400 0.227 0.000 3.417 123 D HA -0.285 4.356 4.640 0.001 0.000 0.163 123 D C 1.104 177.598 176.300 0.323 0.000 1.070 123 D CA 1.380 55.535 54.000 0.260 0.000 1.047 123 D CB -0.352 40.540 40.800 0.154 0.000 0.514 123 D HN 0.544 nan 8.370 nan 0.000 0.532 124 E N 0.706 121.025 120.200 0.198 0.000 2.085 124 E HA -0.178 4.173 4.350 0.001 0.000 0.194 124 E C 1.843 178.515 176.600 0.120 0.000 0.994 124 E CA 2.012 58.494 56.400 0.135 0.000 0.801 124 E CB -0.231 29.518 29.700 0.081 0.000 0.743 124 E HN 0.457 nan 8.360 nan 0.000 0.453 125 E N -0.460 119.824 120.200 0.141 0.000 2.097 125 E HA -0.221 4.130 4.350 0.001 0.000 0.196 125 E C 1.785 178.485 176.600 0.168 0.000 1.000 125 E CA 1.650 58.128 56.400 0.131 0.000 0.804 125 E CB -0.494 29.289 29.700 0.138 0.000 0.740 125 E HN 0.469 nan 8.360 nan 0.000 0.454 126 W N 0.986 122.333 121.300 0.078 0.000 2.379 126 W HA -0.076 4.584 4.660 -0.000 0.000 0.307 126 W C 2.038 178.618 176.519 0.102 0.000 1.200 126 W CA 1.737 59.138 57.345 0.093 0.000 1.297 126 W CB -0.500 29.021 29.460 0.100 0.000 1.140 126 W HN -0.020 nan 8.180 nan 0.000 0.507 127 K N 1.323 121.589 120.400 -0.223 0.000 2.063 127 K HA -0.226 4.094 4.320 0.001 0.000 0.208 127 K C 2.270 178.651 176.600 -0.365 0.000 1.048 127 K CA 2.440 58.411 56.287 -0.526 0.000 0.928 127 K CB -0.741 31.702 32.500 -0.094 0.000 0.713 127 K HN 0.486 nan 8.250 nan 0.000 0.442 128 R N -0.220 120.173 120.500 -0.178 0.000 2.189 128 R HA 0.022 4.363 4.340 0.001 0.000 0.218 128 R C 2.063 178.280 176.300 -0.137 0.000 1.074 128 R CA 1.136 57.158 56.100 -0.129 0.000 0.991 128 R CB -0.459 29.803 30.300 -0.064 0.000 0.883 128 R HN 0.131 nan 8.270 nan 0.000 0.457 129 L N 0.283 121.414 121.223 -0.154 0.000 2.240 129 L HA 0.069 4.410 4.340 0.001 0.000 0.211 129 L C 2.716 179.494 176.870 -0.153 0.000 1.106 129 L CA 0.779 55.553 54.840 -0.109 0.000 0.793 129 L CB -0.176 41.872 42.059 -0.018 0.000 0.927 129 L HN 0.156 nan 8.230 nan 0.000 0.446 130 R N -0.250 120.041 120.500 -0.348 0.000 2.073 130 R HA -0.054 4.287 4.340 0.001 0.000 0.229 130 R C 2.328 178.528 176.300 -0.167 0.000 1.120 130 R CA 1.516 57.429 56.100 -0.310 0.000 0.967 130 R CB -0.368 29.511 30.300 -0.701 0.000 0.862 130 R HN 0.068 nan 8.270 nan 0.000 0.436 131 S N 0.200 115.787 115.700 -0.188 0.000 2.419 131 S HA -0.077 4.394 4.470 0.001 0.000 0.233 131 S C 1.464 176.015 174.600 -0.081 0.000 1.016 131 S CA 1.038 59.172 58.200 -0.110 0.000 0.974 131 S CB -0.195 62.939 63.200 -0.111 0.000 0.786 131 S HN 0.260 nan 8.310 nan 0.000 0.492 132 L N 0.491 121.659 121.223 -0.091 0.000 2.307 132 L HA 0.291 4.632 4.340 0.001 0.000 0.211 132 L C 1.416 178.232 176.870 -0.089 0.000 1.099 132 L CA 1.296 56.082 54.840 -0.090 0.000 0.816 132 L CB -0.044 41.956 42.059 -0.099 0.000 0.952 132 L HN 0.247 nan 8.230 nan 0.000 0.455 133 L N -2.680 118.513 121.223 -0.050 0.000 2.609 133 L HA 0.154 4.495 4.340 0.001 0.000 0.230 133 L C 2.208 179.099 176.870 0.036 0.000 1.087 133 L CA 0.102 54.935 54.840 -0.012 0.000 0.874 133 L CB -0.186 41.915 42.059 0.069 0.000 1.114 133 L HN -0.034 nan 8.230 nan 0.000 0.488 134 S N 1.269 117.000 115.700 0.052 0.000 2.372 134 S HA -0.141 4.330 4.470 0.001 0.000 0.227 134 S C -0.561 174.066 174.600 0.045 0.000 1.044 134 S CA 1.812 60.066 58.200 0.089 0.000 1.050 134 S CB -1.106 62.134 63.200 0.067 0.000 0.901 134 S HN 0.299 nan 8.310 nan 0.000 0.447 135 P HA -0.029 nan 4.420 nan 0.000 0.223 135 P C 1.124 178.365 177.300 -0.097 0.000 1.144 135 P CA 1.022 64.101 63.100 -0.035 0.000 0.783 135 P CB -0.388 31.282 31.700 -0.051 0.000 0.771 136 T N -1.556 112.868 114.554 -0.216 0.000 2.849 136 T HA -0.117 4.233 4.350 0.001 0.000 0.270 136 T C 0.609 174.977 174.700 -0.554 0.000 1.066 136 T CA 1.219 63.029 62.100 -0.483 0.000 1.130 136 T CB -0.677 67.741 68.868 -0.751 0.000 0.864 136 T HN 0.222 nan 8.240 nan 0.000 0.481 137 F N 1.294 121.294 119.950 0.084 0.000 2.790 137 F HA 0.236 4.764 4.527 0.001 0.000 0.371 137 F C 1.005 176.847 175.800 0.070 0.000 1.293 137 F CA -1.120 56.928 58.000 0.081 0.000 1.205 137 F CB 0.070 39.127 39.000 0.095 0.000 1.047 137 F HN -0.040 nan 8.300 nan 0.000 0.510 138 T N -1.279 113.371 114.554 0.159 0.000 2.900 138 T HA 0.144 4.495 4.350 0.001 0.000 0.307 138 T C 0.675 175.432 174.700 0.095 0.000 1.065 138 T CA -0.588 61.576 62.100 0.107 0.000 1.105 138 T CB 1.336 70.233 68.868 0.047 0.000 0.979 138 T HN 0.299 nan 8.240 nan 0.000 0.544 139 S N 1.731 117.474 115.700 0.071 0.000 2.525 139 S HA 0.472 4.943 4.470 0.001 0.000 0.285 139 S C 1.386 175.938 174.600 -0.082 0.000 1.283 139 S CA 0.057 58.259 58.200 0.004 0.000 1.072 139 S CB -0.467 62.761 63.200 0.047 0.000 0.867 139 S HN 2.067 nan 8.310 nan 0.000 0.492 140 G N 4.558 113.246 108.800 -0.187 0.000 2.953 140 G HA2 -0.235 3.726 3.960 0.001 0.000 0.201 140 G HA3 -0.235 3.726 3.960 0.001 0.000 0.201 140 G C 0.965 175.819 174.900 -0.076 0.000 1.501 140 G CA 0.058 45.074 45.100 -0.140 0.000 1.094 140 G HN 0.584 nan 8.290 nan 0.000 0.555 141 K N 0.895 121.286 120.400 -0.015 0.000 2.103 141 K HA 0.106 4.427 4.320 0.001 0.000 0.207 141 K C 2.578 179.228 176.600 0.082 0.000 1.048 141 K CA 1.418 57.720 56.287 0.026 0.000 0.930 141 K CB -0.299 32.220 32.500 0.030 0.000 0.716 141 K HN 0.514 nan 8.250 nan 0.000 0.444 142 L N 0.657 121.944 121.223 0.106 0.000 2.072 142 L HA -0.148 4.192 4.340 0.001 0.000 0.205 142 L C 2.349 179.269 176.870 0.083 0.000 1.079 142 L CA 1.172 56.122 54.840 0.184 0.000 0.752 142 L CB -0.313 41.912 42.059 0.278 0.000 0.906 142 L HN 0.125 nan 8.230 nan 0.000 0.436 143 K N 0.155 120.460 120.400 -0.159 0.000 2.152 143 K HA -0.197 4.124 4.320 0.001 0.000 0.206 143 K C 1.850 178.436 176.600 -0.023 0.000 1.048 143 K CA 1.276 57.445 56.287 -0.197 0.000 0.933 143 K CB -0.012 32.273 32.500 -0.359 0.000 0.721 143 K HN 0.320 nan 8.250 nan 0.000 0.447 144 E N -0.118 120.080 120.200 -0.002 0.000 2.358 144 E HA -0.048 4.303 4.350 0.001 0.000 0.195 144 E C 1.603 178.244 176.600 0.068 0.000 1.010 144 E CA 0.594 57.010 56.400 0.027 0.000 0.856 144 E CB 0.160 29.870 29.700 0.017 0.000 0.795 144 E HN 0.316 nan 8.360 nan 0.000 0.504 145 M N -0.326 119.339 119.600 0.109 0.000 2.476 145 M HA -0.054 4.427 4.480 0.001 0.000 0.262 145 M C 2.092 178.481 176.300 0.148 0.000 1.111 145 M CA 0.397 55.787 55.300 0.149 0.000 1.127 145 M CB 0.329 33.067 32.600 0.230 0.000 1.376 145 M HN 0.002 nan 8.290 nan 0.000 0.465 146 V N 1.713 121.711 119.914 0.140 0.000 2.252 146 V HA -0.196 3.925 4.120 0.001 0.000 0.249 146 V C -0.467 175.693 176.094 0.110 0.000 1.056 146 V CA 2.065 64.447 62.300 0.136 0.000 1.022 146 V CB -2.220 29.688 31.823 0.143 0.000 0.641 146 V HN 0.328 nan 8.190 nan 0.000 0.445 147 P HA -0.031 nan 4.420 nan 0.000 0.229 147 P C 1.635 178.972 177.300 0.063 0.000 1.160 147 P CA 1.263 64.401 63.100 0.064 0.000 0.777 147 P CB 0.003 31.732 31.700 0.047 0.000 0.814 148 I N -1.050 119.574 120.570 0.090 0.000 2.584 148 I HA -0.076 4.095 4.170 0.001 0.000 0.255 148 I C 2.379 178.602 176.117 0.177 0.000 1.145 148 I CA 0.859 62.228 61.300 0.115 0.000 1.462 148 I CB -0.336 37.742 38.000 0.130 0.000 1.102 148 I HN -0.190 nan 8.210 nan 0.000 0.433 149 I N 0.844 121.520 120.570 0.177 0.000 2.716 149 I HA -0.128 4.043 4.170 0.001 0.000 0.259 149 I C 2.778 179.012 176.117 0.197 0.000 1.172 149 I CA 0.743 62.172 61.300 0.216 0.000 1.478 149 I CB -0.297 37.807 38.000 0.174 0.000 1.104 149 I HN 0.119 nan 8.210 nan 0.000 0.439 150 A N 0.602 123.497 122.820 0.125 0.000 1.917 150 A HA -0.346 3.975 4.320 0.001 0.000 0.219 150 A C 2.305 179.916 177.584 0.045 0.000 1.182 150 A CA 2.295 54.388 52.037 0.093 0.000 0.633 150 A CB -0.838 18.198 19.000 0.060 0.000 0.819 150 A HN 0.539 nan 8.150 nan 0.000 0.448 151 Q N -1.498 118.262 119.800 -0.068 0.000 2.062 151 Q HA -0.262 4.079 4.340 0.001 0.000 0.209 151 Q C 1.834 177.701 176.000 -0.222 0.000 0.996 151 Q CA 2.495 58.154 55.803 -0.240 0.000 0.859 151 Q CB -0.352 28.078 28.738 -0.513 0.000 0.920 151 Q HN 0.771 nan 8.270 nan 0.000 0.415 152 Y N -0.636 119.702 120.300 0.064 0.000 2.457 152 Y HA 0.123 4.674 4.550 0.001 0.000 0.292 152 Y C 2.306 178.347 175.900 0.235 0.000 1.125 152 Y CA 0.679 58.832 58.100 0.089 0.000 1.254 152 Y CB -0.597 37.839 38.460 -0.040 0.000 1.012 152 Y HN 0.270 nan 8.280 nan 0.000 0.555 153 G N 0.250 109.281 108.800 0.384 0.000 2.418 153 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 153 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 153 G C 1.257 176.284 174.900 0.211 0.000 1.158 153 G CA 1.368 46.673 45.100 0.342 0.000 0.771 153 G HN 0.259 nan 8.290 nan 0.000 0.545 154 D N 0.283 120.767 120.400 0.140 0.000 2.097 154 D HA -0.100 4.541 4.640 0.001 0.000 0.195 154 D C 2.774 179.135 176.300 0.102 0.000 0.989 154 D CA 0.981 55.037 54.000 0.093 0.000 0.827 154 D CB -0.577 40.247 40.800 0.040 0.000 0.966 154 D HN 0.214 nan 8.370 nan 0.000 0.456 155 V N 1.066 121.044 119.914 0.107 0.000 2.626 155 V HA -0.170 3.951 4.120 0.001 0.000 0.252 155 V C 2.356 178.530 176.094 0.133 0.000 1.067 155 V CA 0.790 63.157 62.300 0.111 0.000 1.081 155 V CB -0.449 31.447 31.823 0.120 0.000 0.686 155 V HN 0.112 nan 8.190 nan 0.000 0.468 156 L N 1.429 122.761 121.223 0.182 0.000 1.976 156 L HA -0.123 4.218 4.340 0.001 0.000 0.209 156 L C 2.633 179.551 176.870 0.081 0.000 1.071 156 L CA 2.616 57.532 54.840 0.127 0.000 0.746 156 L CB -0.775 41.379 42.059 0.159 0.000 0.890 156 L HN 0.275 nan 8.230 nan 0.000 0.432 157 V N -1.597 118.415 119.914 0.163 0.000 2.380 157 V HA -0.294 3.826 4.120 0.001 0.000 0.251 157 V C 2.638 178.887 176.094 0.259 0.000 1.063 157 V CA 2.050 64.533 62.300 0.305 0.000 1.055 157 V CB -0.999 31.020 31.823 0.327 0.000 0.657 157 V HN 0.547 nan 8.190 nan 0.000 0.455 158 R N 0.616 121.206 120.500 0.150 0.000 2.088 158 R HA -0.178 4.162 4.340 0.001 0.000 0.232 158 R C 2.344 178.682 176.300 0.063 0.000 1.136 158 R CA 2.271 58.435 56.100 0.107 0.000 0.926 158 R CB -0.768 29.576 30.300 0.072 0.000 0.837 158 R HN 0.606 nan 8.270 nan 0.000 0.429 159 N N 0.670 119.385 118.700 0.024 0.000 2.060 159 N HA -0.198 4.543 4.740 0.001 0.000 0.195 159 N C 1.599 177.052 175.510 -0.094 0.000 1.028 159 N CA 1.146 54.179 53.050 -0.028 0.000 0.861 159 N CB -0.367 38.098 38.487 -0.037 0.000 1.029 159 N HN 0.055 nan 8.380 nan 0.000 0.428 160 L N 0.731 121.851 121.223 -0.170 0.000 2.201 160 L HA 0.013 4.354 4.340 0.001 0.000 0.212 160 L C 2.255 178.927 176.870 -0.330 0.000 1.105 160 L CA 1.230 55.823 54.840 -0.410 0.000 0.775 160 L CB -0.520 41.068 42.059 -0.785 0.000 0.913 160 L HN 0.157 nan 8.230 nan 0.000 0.440 161 R N -0.719 119.809 120.500 0.047 0.000 2.075 161 R HA -0.099 4.242 4.340 0.001 0.000 0.232 161 R C 2.363 178.711 176.300 0.080 0.000 1.126 161 R CA 1.009 57.258 56.100 0.249 0.000 0.963 161 R CB 0.017 30.484 30.300 0.278 0.000 0.858 161 R HN 0.325 nan 8.270 nan 0.000 0.435 162 R N 0.286 120.799 120.500 0.021 0.000 2.081 162 R HA -0.112 4.229 4.340 0.001 0.000 0.235 162 R C 1.955 178.233 176.300 -0.036 0.000 1.131 162 R CA 1.169 57.266 56.100 -0.004 0.000 0.960 162 R CB -0.297 29.997 30.300 -0.009 0.000 0.856 162 R HN 0.281 nan 8.270 nan 0.000 0.436 163 E N 1.010 121.160 120.200 -0.083 0.000 2.153 163 E HA -0.137 4.214 4.350 0.001 0.000 0.194 163 E C 1.937 178.464 176.600 -0.122 0.000 0.988 163 E CA 1.283 57.611 56.400 -0.120 0.000 0.811 163 E CB -0.124 29.463 29.700 -0.189 0.000 0.746 163 E HN 0.371 nan 8.360 nan 0.000 0.466 164 A N 1.251 124.008 122.820 -0.105 0.000 2.067 164 A HA -0.116 4.205 4.320 0.001 0.000 0.217 164 A C 1.941 179.518 177.584 -0.012 0.000 1.156 164 A CA 0.833 52.839 52.037 -0.051 0.000 0.683 164 A CB -0.003 19.045 19.000 0.080 0.000 0.808 164 A HN -0.000 nan 8.150 nan 0.000 0.455 165 E N 0.013 120.211 120.200 -0.003 0.000 2.021 165 E HA -0.110 4.241 4.350 0.001 0.000 0.189 165 E C 2.421 179.012 176.600 -0.015 0.000 0.980 165 E CA 1.959 58.358 56.400 -0.002 0.000 0.803 165 E CB -1.348 28.356 29.700 0.006 0.000 0.766 165 E HN 0.722 nan 8.360 nan 0.000 0.449 166 T N -1.807 112.733 114.554 -0.023 0.000 2.721 166 T HA -0.154 4.197 4.350 0.001 0.000 0.268 166 T C 1.743 176.426 174.700 -0.029 0.000 1.038 166 T CA 2.288 64.373 62.100 -0.025 0.000 1.145 166 T CB -0.486 68.364 68.868 -0.030 0.000 0.858 166 T HN 0.377 nan 8.240 nan 0.000 0.459 167 G N 0.684 109.461 108.800 -0.039 0.000 2.217 167 G HA2 -0.039 3.922 3.960 0.001 0.000 0.246 167 G HA3 -0.039 3.922 3.960 0.001 0.000 0.246 167 G C 0.361 175.233 174.900 -0.046 0.000 0.990 167 G CA 0.705 45.780 45.100 -0.041 0.000 0.627 167 G HN 1.148 nan 8.290 nan 0.000 0.522 168 K N 1.820 122.192 120.400 -0.047 0.000 2.436 168 K HA 0.589 4.910 4.320 0.001 0.000 0.275 168 K C -1.344 175.221 176.600 -0.058 0.000 0.999 168 K CA -0.350 55.910 56.287 -0.044 0.000 0.980 168 K CB -0.574 31.903 32.500 -0.039 0.000 0.919 168 K HN 0.404 nan 8.250 nan 0.000 0.484 169 P HA 0.215 nan 4.420 nan 0.000 0.271 169 P C -0.742 176.528 177.300 -0.050 0.000 1.216 169 P CA -0.369 62.704 63.100 -0.046 0.000 0.771 169 P CB 0.829 32.514 31.700 -0.024 0.000 0.864 170 V N 3.485 123.364 119.914 -0.059 0.000 2.439 170 V HA 0.186 4.306 4.120 0.001 0.000 0.282 170 V C 0.816 176.897 176.094 -0.022 0.000 1.039 170 V CA -0.187 62.078 62.300 -0.059 0.000 0.913 170 V CB 1.009 32.773 31.823 -0.097 0.000 0.983 170 V HN 0.506 nan 8.190 nan 0.000 0.460 171 T N 6.562 121.100 114.554 -0.026 0.000 2.738 171 T HA 0.294 4.645 4.350 0.001 0.000 0.294 171 T C 1.364 176.057 174.700 -0.012 0.000 0.914 171 T CA -0.136 61.955 62.100 -0.014 0.000 1.052 171 T CB 0.441 69.300 68.868 -0.015 0.000 0.897 171 T HN 0.451 nan 8.240 nan 0.000 0.522 172 L N 2.639 123.875 121.223 0.021 0.000 2.083 172 L HA -0.096 4.245 4.340 0.001 0.000 0.209 172 L C 2.603 179.528 176.870 0.093 0.000 1.083 172 L CA 1.118 56.009 54.840 0.084 0.000 0.752 172 L CB -0.356 41.823 42.059 0.201 0.000 0.899 172 L HN 0.465 nan 8.230 nan 0.000 0.433 173 K N 0.380 120.797 120.400 0.028 0.000 2.152 173 K HA -0.196 4.125 4.320 0.001 0.000 0.206 173 K C 1.516 178.139 176.600 0.037 0.000 1.048 173 K CA 1.440 57.729 56.287 0.004 0.000 0.933 173 K CB -0.103 32.369 32.500 -0.047 0.000 0.721 173 K HN 0.197 nan 8.250 nan 0.000 0.447 174 D N -0.813 119.601 120.400 0.023 0.000 2.117 174 D HA -0.121 4.520 4.640 0.001 0.000 0.198 174 D C 1.796 178.106 176.300 0.017 0.000 0.982 174 D CA 1.588 55.607 54.000 0.032 0.000 0.828 174 D CB -0.027 40.778 40.800 0.008 0.000 0.967 174 D HN 0.206 nan 8.370 nan 0.000 0.464 175 V N -2.001 117.876 119.914 -0.062 0.000 2.379 175 V HA -0.012 4.109 4.120 0.001 0.000 0.243 175 V C 2.121 178.145 176.094 -0.117 0.000 1.035 175 V CA 0.905 63.119 62.300 -0.144 0.000 1.035 175 V CB -1.198 30.439 31.823 -0.311 0.000 0.673 175 V HN 0.016 nan 8.190 nan 0.000 0.457 176 F N 2.373 122.316 119.950 -0.011 0.000 2.234 176 F HA 0.145 4.673 4.527 0.001 0.000 0.299 176 F C 2.671 178.486 175.800 0.026 0.000 1.087 176 F CA 1.359 59.342 58.000 -0.029 0.000 1.340 176 F CB -0.734 38.188 39.000 -0.130 0.000 1.031 176 F HN 0.306 nan 8.300 nan 0.000 0.500 177 G N -0.109 108.787 108.800 0.159 0.000 2.421 177 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 177 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 177 G C 1.862 176.954 174.900 0.321 0.000 1.171 177 G CA 0.834 46.006 45.100 0.120 0.000 0.775 177 G HN 0.420 nan 8.290 nan 0.000 0.543 178 A N -0.111 122.855 122.820 0.244 0.000 1.930 178 A HA -0.002 4.319 4.320 0.001 0.000 0.217 178 A C 2.167 179.841 177.584 0.149 0.000 1.175 178 A CA 1.672 53.819 52.037 0.183 0.000 0.627 178 A CB -0.693 18.380 19.000 0.121 0.000 0.815 178 A HN 0.509 nan 8.150 nan 0.000 0.443 179 Y N 1.509 121.847 120.300 0.063 0.000 2.081 179 Y HA -0.271 4.280 4.550 0.001 0.000 0.280 179 Y C 2.702 178.613 175.900 0.019 0.000 1.163 179 Y CA 2.224 60.355 58.100 0.052 0.000 1.135 179 Y CB -0.435 38.092 38.460 0.112 0.000 0.970 179 Y HN 0.307 nan 8.280 nan 0.000 0.498 180 S N 0.256 116.071 115.700 0.191 0.000 2.368 180 S HA -0.257 4.214 4.470 0.001 0.000 0.225 180 S C 1.924 176.551 174.600 0.044 0.000 1.030 180 S CA 1.640 59.890 58.200 0.083 0.000 0.999 180 S CB -0.555 62.710 63.200 0.107 0.000 0.844 180 S HN 0.556 nan 8.310 nan 0.000 0.459 181 M N 1.990 121.680 119.600 0.150 0.000 2.213 181 M HA -0.067 4.414 4.480 0.001 0.000 0.263 181 M C 1.075 177.312 176.300 -0.104 0.000 1.062 181 M CA 1.396 56.763 55.300 0.112 0.000 1.105 181 M CB -0.582 32.109 32.600 0.153 0.000 1.385 181 M HN 0.007 nan 8.290 nan 0.000 0.417 182 D N -0.972 119.268 120.400 -0.267 0.000 2.137 182 D HA -0.059 4.582 4.640 0.001 0.000 0.202 182 D C 2.106 177.973 176.300 -0.722 0.000 0.970 182 D CA 1.185 54.812 54.000 -0.622 0.000 0.837 182 D CB -0.120 40.121 40.800 -0.931 0.000 0.981 182 D HN 0.237 nan 8.370 nan 0.000 0.475 183 V N 1.554 121.128 119.914 -0.568 0.000 2.295 183 V HA -0.196 3.925 4.120 0.001 0.000 0.246 183 V C 2.449 178.491 176.094 -0.088 0.000 1.049 183 V CA 0.971 63.081 62.300 -0.316 0.000 1.024 183 V CB -0.090 31.578 31.823 -0.258 0.000 0.648 183 V HN 0.246 nan 8.190 nan 0.000 0.447 184 I N 0.962 121.512 120.570 -0.033 0.000 2.439 184 I HA -0.149 4.022 4.170 0.001 0.000 0.251 184 I C 2.608 178.658 176.117 -0.112 0.000 1.139 184 I CA 2.249 63.538 61.300 -0.017 0.000 1.438 184 I CB -0.708 37.331 38.000 0.065 0.000 1.085 184 I HN 0.581 nan 8.210 nan 0.000 0.427 185 T N -1.832 112.692 114.554 -0.051 0.000 2.896 185 T HA -0.080 4.271 4.350 0.001 0.000 0.263 185 T C 2.059 176.768 174.700 0.015 0.000 1.050 185 T CA 1.251 63.389 62.100 0.063 0.000 1.140 185 T CB -0.539 68.323 68.868 -0.010 0.000 0.877 185 T HN 0.393 nan 8.240 nan 0.000 0.457 186 S N 2.504 118.172 115.700 -0.053 0.000 2.345 186 S HA -0.129 4.341 4.470 0.001 0.000 0.219 186 S C 2.393 176.999 174.600 0.011 0.000 1.031 186 S CA 1.419 59.635 58.200 0.026 0.000 0.984 186 S CB -1.569 61.696 63.200 0.109 0.000 0.874 186 S HN 0.763 nan 8.310 nan 0.000 0.451 187 T N -0.483 114.058 114.554 -0.020 0.000 3.007 187 T HA 0.101 4.452 4.350 0.001 0.000 0.270 187 T C 1.771 176.395 174.700 -0.126 0.000 1.107 187 T CA 1.286 63.374 62.100 -0.020 0.000 1.118 187 T CB -0.462 68.437 68.868 0.052 0.000 0.889 187 T HN 0.377 nan 8.240 nan 0.000 0.506 188 S N 0.375 115.893 115.700 -0.304 0.000 2.460 188 S HA 0.352 4.823 4.470 0.001 0.000 0.226 188 S C 0.872 175.177 174.600 -0.493 0.000 1.057 188 S CA -0.042 57.827 58.200 -0.551 0.000 0.948 188 S CB -0.073 62.440 63.200 -1.145 0.000 0.822 188 S HN 0.643 nan 8.310 nan 0.000 0.512 189 F N 0.556 120.570 119.950 0.106 0.000 2.729 189 F HA 0.413 4.941 4.527 0.001 0.000 0.315 189 F C 1.595 177.423 175.800 0.045 0.000 1.102 189 F CA -0.116 57.932 58.000 0.080 0.000 1.204 189 F CB 0.326 39.377 39.000 0.085 0.000 1.052 189 F HN 0.268 nan 8.300 nan 0.000 0.551 190 G N 1.391 110.272 108.800 0.136 0.000 2.180 190 G HA2 -0.281 3.680 3.960 0.001 0.000 0.263 190 G HA3 -0.281 3.680 3.960 0.001 0.000 0.263 190 G C 0.010 174.973 174.900 0.104 0.000 0.989 190 G CA 0.369 45.529 45.100 0.100 0.000 0.692 190 G HN 0.234 nan 8.290 nan 0.000 0.526 191 V N 0.201 120.193 119.914 0.129 0.000 2.713 191 V HA 0.625 4.746 4.120 0.001 0.000 0.307 191 V C 0.261 176.402 176.094 0.078 0.000 1.052 191 V CA -0.433 61.923 62.300 0.093 0.000 0.967 191 V CB 1.932 33.809 31.823 0.090 0.000 1.019 191 V HN 0.425 nan 8.190 nan 0.000 0.459 192 N N 2.491 121.232 118.700 0.069 0.000 2.564 192 N HA 0.320 5.060 4.740 0.001 0.000 0.248 192 N C 0.172 175.699 175.510 0.029 0.000 0.986 192 N CA -0.598 52.511 53.050 0.097 0.000 0.921 192 N CB 0.872 39.450 38.487 0.151 0.000 1.136 192 N HN 0.550 nan 8.380 nan 0.000 0.509 193 I N -0.488 120.040 120.570 -0.070 0.000 3.684 193 I HA 0.380 4.551 4.170 0.001 0.000 0.304 193 I C 0.342 176.431 176.117 -0.045 0.000 1.278 193 I CA -0.080 61.137 61.300 -0.139 0.000 1.272 193 I CB -0.762 36.944 38.000 -0.491 0.000 1.029 193 I HN 0.491 nan 8.210 nan 0.000 0.458 194 D N 0.997 121.421 120.400 0.040 0.000 2.686 194 D HA -0.276 4.365 4.640 0.001 0.000 0.235 194 D C 1.549 177.890 176.300 0.067 0.000 1.160 194 D CA 0.886 54.948 54.000 0.104 0.000 0.645 194 D CB -0.700 40.154 40.800 0.090 0.000 1.039 194 D HN 0.483 nan 8.370 nan 0.000 0.423 195 S N -0.570 115.143 115.700 0.022 0.000 2.383 195 S HA -0.178 4.293 4.470 0.001 0.000 0.229 195 S C 1.652 176.292 174.600 0.065 0.000 1.030 195 S CA 0.981 59.200 58.200 0.032 0.000 1.002 195 S CB -0.090 63.109 63.200 -0.001 0.000 0.829 195 S HN 0.430 nan 8.310 nan 0.000 0.467 196 L N 2.061 123.339 121.223 0.091 0.000 2.549 196 L HA 0.108 4.449 4.340 0.001 0.000 0.230 196 L C 1.620 178.541 176.870 0.085 0.000 1.162 196 L CA 1.161 56.066 54.840 0.108 0.000 0.834 196 L CB -0.882 41.281 42.059 0.175 0.000 0.947 196 L HN 0.334 nan 8.230 nan 0.000 0.452 197 N N -0.838 117.908 118.700 0.077 0.000 2.513 197 N HA 0.040 4.781 4.740 0.001 0.000 0.196 197 N C 0.126 175.665 175.510 0.048 0.000 1.041 197 N CA 0.207 53.292 53.050 0.058 0.000 0.916 197 N CB -0.146 38.376 38.487 0.057 0.000 1.172 197 N HN 0.252 nan 8.380 nan 0.000 0.444 198 N N 3.321 122.052 118.700 0.053 0.000 2.416 198 N HA 0.092 4.833 4.740 0.001 0.000 0.271 198 N C -1.901 173.636 175.510 0.044 0.000 1.245 198 N CA -0.846 52.233 53.050 0.048 0.000 0.940 198 N CB 0.856 39.378 38.487 0.059 0.000 1.175 198 N HN 0.205 nan 8.380 nan 0.000 0.483 199 P HA -0.021 nan 4.420 nan 0.000 0.237 199 P C 0.185 177.499 177.300 0.023 0.000 1.178 199 P CA 0.865 63.981 63.100 0.027 0.000 0.766 199 P CB 0.428 32.138 31.700 0.016 0.000 0.876 200 Q N -0.158 119.656 119.800 0.023 0.000 2.268 200 Q HA 0.093 4.434 4.340 0.001 0.000 0.289 200 Q C -0.325 175.688 176.000 0.022 0.000 0.893 200 Q CA -0.410 55.401 55.803 0.013 0.000 1.057 200 Q CB -0.183 28.560 28.738 0.008 0.000 1.173 200 Q HN 0.094 nan 8.270 nan 0.000 0.449 201 D N 1.729 122.154 120.400 0.042 0.000 2.472 201 D HA -0.037 4.604 4.640 0.001 0.000 0.248 201 D C -1.339 174.991 176.300 0.051 0.000 1.174 201 D CA -1.460 52.589 54.000 0.083 0.000 0.883 201 D CB 1.105 41.966 40.800 0.101 0.000 1.149 201 D HN 0.091 nan 8.370 nan 0.000 0.488 202 P HA -0.108 nan 4.420 nan 0.000 0.230 202 P C 1.125 178.257 177.300 -0.279 0.000 1.158 202 P CA 0.708 63.708 63.100 -0.168 0.000 0.769 202 P CB 0.072 31.730 31.700 -0.069 0.000 0.807 203 F N -0.036 119.909 119.950 -0.007 0.000 2.149 203 F HA -0.098 4.430 4.527 0.001 0.000 0.294 203 F C 2.556 178.266 175.800 -0.149 0.000 1.095 203 F CA 1.097 59.133 58.000 0.060 0.000 1.276 203 F CB -1.088 37.976 39.000 0.105 0.000 1.023 203 F HN -0.309 nan 8.300 nan 0.000 0.480 204 V N -0.327 119.575 119.914 -0.019 0.000 2.307 204 V HA -0.239 3.882 4.120 0.001 0.000 0.245 204 V C 2.414 178.368 176.094 -0.234 0.000 1.045 204 V CA 1.883 64.019 62.300 -0.273 0.000 1.024 204 V CB -0.529 31.231 31.823 -0.106 0.000 0.651 204 V HN 0.271 nan 8.190 nan 0.000 0.449 205 E N 0.325 120.432 120.200 -0.154 0.000 2.118 205 E HA -0.226 4.125 4.350 0.001 0.000 0.195 205 E C 2.091 178.579 176.600 -0.188 0.000 0.992 205 E CA 1.303 57.614 56.400 -0.149 0.000 0.804 205 E CB -0.164 29.444 29.700 -0.153 0.000 0.741 205 E HN 0.585 nan 8.360 nan 0.000 0.458 206 N N -0.545 117.979 118.700 -0.293 0.000 2.220 206 N HA -0.054 4.687 4.740 0.001 0.000 0.182 206 N C 1.825 177.276 175.510 -0.099 0.000 1.023 206 N CA 1.379 54.266 53.050 -0.271 0.000 0.856 206 N CB -0.284 37.878 38.487 -0.542 0.000 0.997 206 N HN 0.107 nan 8.380 nan 0.000 0.429 207 T N 1.932 116.425 114.554 -0.101 0.000 2.867 207 T HA -0.128 4.223 4.350 0.001 0.000 0.268 207 T C 1.775 176.543 174.700 0.114 0.000 1.057 207 T CA 1.230 63.340 62.100 0.017 0.000 1.136 207 T CB -0.060 68.759 68.868 -0.082 0.000 0.874 207 T HN 0.490 nan 8.240 nan 0.000 0.466 208 K N 1.448 121.840 120.400 -0.013 0.000 2.442 208 K HA 0.044 4.365 4.320 0.001 0.000 0.198 208 K C 1.583 178.292 176.600 0.182 0.000 1.042 208 K CA 1.073 57.458 56.287 0.165 0.000 0.958 208 K CB -0.019 32.570 32.500 0.148 0.000 0.766 208 K HN 0.100 nan 8.250 nan 0.000 0.474 209 K N 0.494 120.967 120.400 0.121 0.000 2.500 209 K HA 0.120 4.441 4.320 0.001 0.000 0.206 209 K C 0.490 177.170 176.600 0.134 0.000 1.034 209 K CA -0.194 56.151 56.287 0.097 0.000 1.179 209 K CB 0.305 32.826 32.500 0.035 0.000 0.884 209 K HN 0.061 nan 8.250 nan 0.000 0.493 210 L N 0.532 121.882 121.223 0.211 0.000 2.567 210 L HA 0.199 4.540 4.340 0.001 0.000 0.225 210 L C 0.481 177.442 176.870 0.151 0.000 1.119 210 L CA 0.809 55.762 54.840 0.188 0.000 0.871 210 L CB 0.182 42.309 42.059 0.114 0.000 1.036 210 L HN 0.114 nan 8.230 nan 0.000 0.459 211 L N -1.637 119.629 121.223 0.072 0.000 3.031 211 L HA 0.553 4.894 4.340 0.001 0.000 0.225 211 L C -0.400 176.286 176.870 -0.308 0.000 2.008 211 L CA -1.233 53.525 54.840 -0.136 0.000 2.397 211 L CB 0.474 42.457 42.059 -0.127 0.000 2.358 211 L HN -0.191 nan 8.230 nan 0.000 0.593 212 R N -0.516 119.628 120.500 -0.594 0.000 3.087 212 R HA -0.004 4.337 4.340 0.001 0.000 0.406 212 R C -1.888 173.839 176.300 -0.955 0.000 1.211 212 R CA -0.046 55.750 56.100 -0.507 0.000 1.098 212 R CB -1.568 28.642 30.300 -0.150 0.000 2.759 212 R HN 0.432 nan 8.270 nan 0.000 0.626 217 D N 2.696 123.239 120.400 0.237 0.000 2.570 217 D HA -0.015 4.626 4.640 0.001 0.000 0.243 217 D C -1.297 175.157 176.300 0.257 0.000 1.171 217 D CA -0.923 53.248 54.000 0.286 0.000 0.879 217 D CB 1.302 42.377 40.800 0.458 0.000 1.143 217 D HN -0.014 nan 8.370 nan 0.000 0.511 218 P HA -0.237 nan 4.420 nan 0.000 0.219 218 P C 1.461 178.840 177.300 0.132 0.000 1.158 218 P CA 1.196 64.379 63.100 0.137 0.000 0.895 218 P CB -0.147 31.622 31.700 0.115 0.000 0.792 219 F N -1.102 118.836 119.950 -0.020 0.000 2.051 219 F HA -0.186 4.342 4.527 0.001 0.000 0.296 219 F C 2.176 177.871 175.800 -0.174 0.000 1.122 219 F CA 1.604 59.499 58.000 -0.175 0.000 1.201 219 F CB -0.724 38.056 39.000 -0.367 0.000 0.978 219 F HN -0.254 nan 8.300 nan 0.000 0.472 220 F N -0.224 119.826 119.950 0.167 0.000 2.259 220 F HA -0.109 4.419 4.527 0.001 0.000 0.298 220 F C 2.030 177.838 175.800 0.013 0.000 1.088 220 F CA 0.812 58.875 58.000 0.104 0.000 1.358 220 F CB -0.996 38.236 39.000 0.386 0.000 1.040 220 F HN 0.058 nan 8.300 nan 0.000 0.505 221 L N 0.038 121.376 121.223 0.191 0.000 1.970 221 L HA -0.244 4.096 4.340 0.001 0.000 0.212 221 L C 2.374 179.226 176.870 -0.030 0.000 1.071 221 L CA 2.112 56.999 54.840 0.078 0.000 0.751 221 L CB -1.290 40.819 42.059 0.083 0.000 0.889 221 L HN 0.013 nan 8.230 nan 0.000 0.432 222 S N -0.209 115.459 115.700 -0.053 0.000 2.383 222 S HA -0.158 4.313 4.470 0.001 0.000 0.229 222 S C 2.050 176.561 174.600 -0.148 0.000 1.030 222 S CA 1.784 59.961 58.200 -0.038 0.000 1.002 222 S CB -0.600 62.566 63.200 -0.056 0.000 0.829 222 S HN 0.508 nan 8.310 nan 0.000 0.467 223 I N 1.525 121.924 120.570 -0.284 0.000 2.179 223 I HA -0.186 3.985 4.170 0.001 0.000 0.242 223 I C 2.514 178.543 176.117 -0.147 0.000 1.088 223 I CA 1.253 62.376 61.300 -0.295 0.000 1.357 223 I CB -0.740 37.010 38.000 -0.417 0.000 1.051 223 I HN 0.294 nan 8.210 nan 0.000 0.409 224 T N 0.185 114.697 114.554 -0.069 0.000 2.777 224 T HA -0.101 4.250 4.350 0.001 0.000 0.266 224 T C 1.943 176.603 174.700 -0.066 0.000 1.040 224 T CA 1.166 63.265 62.100 -0.003 0.000 1.141 224 T CB -0.176 68.729 68.868 0.062 0.000 0.868 224 T HN 0.093 nan 8.240 nan 0.000 0.444 225 V N 0.184 119.969 119.914 -0.215 0.000 2.302 225 V HA 0.094 4.215 4.120 0.001 0.000 0.243 225 V C 0.526 176.305 176.094 -0.524 0.000 1.036 225 V CA 1.123 63.155 62.300 -0.445 0.000 1.020 225 V CB -0.387 30.963 31.823 -0.787 0.000 0.657 225 V HN 0.443 nan 8.190 nan 0.000 0.453 226 F N 0.467 120.359 119.950 -0.097 0.000 2.319 226 F HA 0.413 4.941 4.527 0.001 0.000 0.356 226 F C -2.011 173.550 175.800 -0.399 0.000 1.100 226 F CA -2.031 55.798 58.000 -0.285 0.000 1.220 226 F CB 0.568 39.150 39.000 -0.696 0.000 1.506 226 F HN 0.097 nan 8.300 nan 0.000 0.512 227 P HA -0.113 nan 4.420 nan 0.000 0.242 227 P C 1.410 178.713 177.300 0.004 0.000 1.197 227 P CA 0.616 63.693 63.100 -0.038 0.000 0.765 227 P CB -0.327 31.394 31.700 0.035 0.000 0.936 228 F N -2.115 117.891 119.950 0.093 0.000 2.502 228 F HA 0.012 4.539 4.527 0.001 0.000 0.298 228 F C 1.424 177.240 175.800 0.027 0.000 1.111 228 F CA 0.634 58.670 58.000 0.060 0.000 1.445 228 F CB -1.449 37.595 39.000 0.074 0.000 1.081 228 F HN -0.255 nan 8.300 nan 0.000 0.558 229 L N 0.923 121.917 121.223 -0.381 0.000 2.275 229 L HA -0.040 4.301 4.340 0.001 0.000 0.215 229 L C 2.209 179.007 176.870 -0.121 0.000 1.119 229 L CA 0.877 55.564 54.840 -0.255 0.000 0.790 229 L CB -1.078 40.751 42.059 -0.383 0.000 0.919 229 L HN 0.278 nan 8.230 nan 0.000 0.443 230 I N 0.057 120.562 120.570 -0.108 0.000 2.179 230 I HA -0.213 3.958 4.170 0.001 0.000 0.242 230 I C -0.297 175.802 176.117 -0.031 0.000 1.088 230 I CA 1.165 62.409 61.300 -0.093 0.000 1.357 230 I CB -1.437 36.502 38.000 -0.101 0.000 1.051 230 I HN 0.187 nan 8.210 nan 0.000 0.409 231 P HA -0.158 nan 4.420 nan 0.000 0.218 231 P C 1.744 179.059 177.300 0.025 0.000 1.148 231 P CA 1.536 64.652 63.100 0.027 0.000 0.822 231 P CB -0.049 31.680 31.700 0.049 0.000 0.784 232 I N -1.299 119.286 120.570 0.025 0.000 2.133 232 I HA -0.215 3.956 4.170 0.001 0.000 0.238 232 I C 2.288 178.413 176.117 0.013 0.000 1.074 232 I CA 1.352 62.665 61.300 0.022 0.000 1.342 232 I CB -0.807 37.208 38.000 0.025 0.000 1.053 232 I HN -0.137 nan 8.210 nan 0.000 0.404 233 L N 0.240 121.464 121.223 0.000 0.000 2.127 233 L HA -0.218 4.122 4.340 0.001 0.000 0.211 233 L C 2.491 179.374 176.870 0.021 0.000 1.089 233 L CA 1.225 56.073 54.840 0.014 0.000 0.757 233 L CB -0.667 41.398 42.059 0.011 0.000 0.899 233 L HN 0.262 nan 8.230 nan 0.000 0.434 234 E N 0.245 120.454 120.200 0.015 0.000 2.077 234 E HA -0.176 4.175 4.350 0.001 0.000 0.193 234 E C 2.190 178.811 176.600 0.034 0.000 0.989 234 E CA 1.163 57.579 56.400 0.026 0.000 0.800 234 E CB -0.024 29.691 29.700 0.024 0.000 0.746 234 E HN 0.185 nan 8.360 nan 0.000 0.452 235 V N 0.538 120.469 119.914 0.029 0.000 2.427 235 V HA -0.194 3.926 4.120 0.001 0.000 0.248 235 V C 1.892 178.003 176.094 0.027 0.000 1.051 235 V CA 1.394 63.711 62.300 0.028 0.000 1.048 235 V CB -0.394 31.444 31.823 0.025 0.000 0.666 235 V HN 0.320 nan 8.190 nan 0.000 0.456 236 L N 0.452 121.690 121.223 0.025 0.000 2.645 236 L HA 0.175 4.516 4.340 0.001 0.000 0.235 236 L C 1.230 178.116 176.870 0.026 0.000 1.150 236 L CA 0.291 55.145 54.840 0.022 0.000 0.911 236 L CB -0.992 41.078 42.059 0.019 0.000 1.077 236 L HN 0.441 nan 8.230 nan 0.000 0.438 237 N N 1.175 119.896 118.700 0.035 0.000 2.725 237 N HA -0.194 4.546 4.740 0.001 0.000 0.249 237 N C -0.073 175.463 175.510 0.043 0.000 1.103 237 N CA 0.416 53.494 53.050 0.046 0.000 0.707 237 N CB -0.382 38.130 38.487 0.042 0.000 1.043 237 N HN 0.197 nan 8.380 nan 0.000 0.553 238 I N 0.664 121.256 120.570 0.036 0.000 2.474 238 I HA 0.140 4.311 4.170 0.001 0.000 0.287 238 I C 1.191 177.324 176.117 0.026 0.000 1.048 238 I CA -0.242 61.071 61.300 0.022 0.000 1.383 238 I CB 1.039 39.066 38.000 0.044 0.000 1.412 238 I HN 0.141 nan 8.210 nan 0.000 0.531 239 C N 5.533 124.822 119.300 -0.017 0.000 2.707 239 C HA 0.450 4.911 4.460 0.001 0.000 0.313 239 C C 1.749 176.640 174.990 -0.165 0.000 1.209 239 C CA -0.460 58.545 59.018 -0.022 0.000 1.635 239 C CB 1.819 29.619 27.740 0.099 0.000 2.206 239 C HN 0.718 nan 8.230 nan 0.000 0.485 240 V N 2.141 121.895 119.914 -0.268 0.000 2.358 240 V HA -0.037 4.084 4.120 0.001 0.000 0.246 240 V C 0.487 176.374 176.094 -0.346 0.000 1.047 240 V CA 1.543 63.633 62.300 -0.348 0.000 1.035 240 V CB -0.584 30.983 31.823 -0.427 0.000 0.658 240 V HN 0.714 nan 8.190 nan 0.000 0.452 241 F N 1.090 121.086 119.950 0.077 0.000 2.394 241 F HA 0.469 4.997 4.527 0.001 0.000 0.340 241 F C -1.867 173.951 175.800 0.029 0.000 1.105 241 F CA -3.303 54.732 58.000 0.058 0.000 1.124 241 F CB -0.550 38.493 39.000 0.072 0.000 1.145 241 F HN -0.052 nan 8.300 nan 0.000 0.505 242 P HA -0.014 nan 4.420 nan 0.000 0.263 242 P C 0.429 177.807 177.300 0.130 0.000 1.175 242 P CA 0.014 63.168 63.100 0.089 0.000 0.761 242 P CB 0.817 32.553 31.700 0.060 0.000 0.794 243 R N 2.655 123.208 120.500 0.088 0.000 2.115 243 R HA -0.174 4.167 4.340 0.001 0.000 0.230 243 R C 2.154 178.495 176.300 0.068 0.000 1.111 243 R CA 1.675 57.829 56.100 0.091 0.000 0.976 243 R CB -0.530 29.802 30.300 0.054 0.000 0.870 243 R HN 0.547 nan 8.270 nan 0.000 0.445 244 E N -0.428 119.801 120.200 0.048 0.000 2.110 244 E HA -0.138 4.213 4.350 0.001 0.000 0.193 244 E C 1.515 178.152 176.600 0.061 0.000 0.988 244 E CA 1.832 58.255 56.400 0.038 0.000 0.804 244 E CB -0.324 29.383 29.700 0.013 0.000 0.745 244 E HN 0.136 nan 8.360 nan 0.000 0.458 245 V N 1.115 121.071 119.914 0.071 0.000 2.323 245 V HA -0.235 3.885 4.120 0.001 0.000 0.244 245 V C 2.659 178.830 176.094 0.128 0.000 1.041 245 V CA 2.146 64.497 62.300 0.084 0.000 1.025 245 V CB -1.222 30.649 31.823 0.081 0.000 0.656 245 V HN 0.645 nan 8.190 nan 0.000 0.451 246 T N -1.108 113.535 114.554 0.148 0.000 2.720 246 T HA -0.256 4.095 4.350 0.001 0.000 0.268 246 T C 1.777 176.523 174.700 0.076 0.000 1.037 246 T CA 1.835 64.044 62.100 0.182 0.000 1.144 246 T CB -0.560 68.512 68.868 0.340 0.000 0.864 246 T HN 0.376 nan 8.240 nan 0.000 0.444 247 N N 1.122 119.847 118.700 0.042 0.000 2.013 247 N HA -0.056 4.685 4.740 0.001 0.000 0.195 247 N C 1.421 176.929 175.510 -0.003 0.000 1.051 247 N CA 1.519 54.563 53.050 -0.010 0.000 0.851 247 N CB -0.977 37.514 38.487 0.006 0.000 1.044 247 N HN 0.495 nan 8.380 nan 0.000 0.422 248 F N 1.297 121.192 119.950 -0.092 0.000 2.063 248 F HA -0.254 4.274 4.527 0.001 0.000 0.298 248 F C 1.964 177.657 175.800 -0.178 0.000 1.105 248 F CA 1.315 59.231 58.000 -0.140 0.000 1.215 248 F CB -0.274 38.629 39.000 -0.161 0.000 0.972 248 F HN -0.015 nan 8.300 nan 0.000 0.483 249 L N 0.538 121.735 121.223 -0.043 0.000 2.046 249 L HA -0.154 4.187 4.340 0.001 0.000 0.208 249 L C 2.489 179.262 176.870 -0.163 0.000 1.077 249 L CA 1.658 56.421 54.840 -0.129 0.000 0.747 249 L CB -1.291 40.793 42.059 0.041 0.000 0.896 249 L HN 0.127 nan 8.230 nan 0.000 0.432 250 R N -0.727 119.704 120.500 -0.115 0.000 2.096 250 R HA -0.170 4.171 4.340 0.001 0.000 0.235 250 R C 2.207 178.402 176.300 -0.176 0.000 1.127 250 R CA 1.112 57.133 56.100 -0.132 0.000 0.968 250 R CB -0.158 30.039 30.300 -0.171 0.000 0.861 250 R HN 0.202 nan 8.270 nan 0.000 0.440 251 K N -0.026 120.240 120.400 -0.222 0.000 2.025 251 K HA -0.011 4.310 4.320 0.001 0.000 0.207 251 K C 2.164 178.597 176.600 -0.279 0.000 1.049 251 K CA 1.606 57.751 56.287 -0.237 0.000 0.933 251 K CB -0.013 32.338 32.500 -0.247 0.000 0.714 251 K HN -0.014 nan 8.250 nan 0.000 0.438 252 S N 0.137 115.584 115.700 -0.422 0.000 2.356 252 S HA -0.113 4.358 4.470 0.001 0.000 0.223 252 S C 2.045 176.515 174.600 -0.217 0.000 1.032 252 S CA 1.287 59.265 58.200 -0.369 0.000 1.005 252 S CB -0.282 62.555 63.200 -0.604 0.000 0.867 252 S HN 0.013 nan 8.310 nan 0.000 0.449 253 V N 1.604 121.375 119.914 -0.238 0.000 2.427 253 V HA -0.128 3.992 4.120 0.001 0.000 0.248 253 V C 2.365 178.341 176.094 -0.197 0.000 1.051 253 V CA 1.631 63.767 62.300 -0.272 0.000 1.048 253 V CB -0.508 31.177 31.823 -0.231 0.000 0.666 253 V HN 0.302 nan 8.190 nan 0.000 0.456 254 K N 0.264 120.571 120.400 -0.156 0.000 2.057 254 K HA -0.168 4.153 4.320 0.001 0.000 0.207 254 K C 2.343 178.881 176.600 -0.103 0.000 1.049 254 K CA 1.396 57.612 56.287 -0.118 0.000 0.931 254 K CB -0.293 32.140 32.500 -0.111 0.000 0.714 254 K HN 0.349 nan 8.250 nan 0.000 0.440 255 R N 0.050 120.483 120.500 -0.113 0.000 2.081 255 R HA -0.114 4.226 4.340 0.001 0.000 0.235 255 R C 1.970 178.233 176.300 -0.062 0.000 1.131 255 R CA 1.901 57.952 56.100 -0.081 0.000 0.960 255 R CB -0.162 30.089 30.300 -0.082 0.000 0.856 255 R HN 0.205 nan 8.270 nan 0.000 0.436 256 M N 0.182 119.731 119.600 -0.085 0.000 2.394 256 M HA -0.074 4.407 4.480 0.001 0.000 0.264 256 M C 2.281 178.552 176.300 -0.049 0.000 1.073 256 M CA 1.243 56.504 55.300 -0.064 0.000 1.111 256 M CB -0.002 32.522 32.600 -0.127 0.000 1.401 256 M HN 0.124 nan 8.290 nan 0.000 0.448 257 K N 0.736 121.092 120.400 -0.074 0.000 2.062 257 K HA -0.162 4.158 4.320 0.001 0.000 0.205 257 K C 1.652 178.231 176.600 -0.034 0.000 1.051 257 K CA 1.398 57.654 56.287 -0.051 0.000 0.941 257 K CB 0.177 32.637 32.500 -0.066 0.000 0.719 257 K HN 0.178 nan 8.250 nan 0.000 0.440 258 E N 0.138 120.316 120.200 -0.038 0.000 2.051 258 E HA -0.136 4.215 4.350 0.001 0.000 0.192 258 E C 1.917 178.508 176.600 -0.016 0.000 0.991 258 E CA 1.833 58.216 56.400 -0.028 0.000 0.799 258 E CB 0.059 29.740 29.700 -0.031 0.000 0.748 258 E HN 0.207 nan 8.360 nan 0.000 0.449 259 S N 0.375 116.069 115.700 -0.011 0.000 2.374 259 S HA -0.199 4.272 4.470 0.001 0.000 0.227 259 S C 1.859 176.463 174.600 0.007 0.000 1.037 259 S CA 0.969 59.170 58.200 0.001 0.000 1.024 259 S CB -0.207 62.999 63.200 0.010 0.000 0.861 259 S HN 0.179 nan 8.310 nan 0.000 0.456 260 R N 0.715 121.220 120.500 0.009 0.000 2.075 260 R HA 0.105 4.446 4.340 0.001 0.000 0.232 260 R C 2.228 178.528 176.300 -0.000 0.000 1.126 260 R CA 0.897 57.004 56.100 0.011 0.000 0.963 260 R CB -0.673 29.638 30.300 0.019 0.000 0.858 260 R HN 0.417 nan 8.270 nan 0.000 0.435 261 L N 0.286 121.504 121.223 -0.008 0.000 2.217 261 L HA -0.086 4.255 4.340 0.001 0.000 0.211 261 L C 1.803 178.668 176.870 -0.010 0.000 1.107 261 L CA 1.033 55.865 54.840 -0.012 0.000 0.783 261 L CB -0.212 41.836 42.059 -0.018 0.000 0.919 261 L HN 0.141 nan 8.230 nan 0.000 0.442 262 E N 0.018 120.214 120.200 -0.007 0.000 2.478 262 E HA -0.104 4.247 4.350 0.001 0.000 0.198 262 E C -0.058 176.541 176.600 -0.003 0.000 1.046 262 E CA 0.427 56.824 56.400 -0.006 0.000 0.870 262 E CB 0.090 29.787 29.700 -0.005 0.000 0.818 262 E HN 0.655 nan 8.360 nan 0.000 0.527 270 D N 2.516 122.893 120.400 -0.038 0.000 2.668 270 D HA 0.425 5.066 4.640 0.001 0.000 0.249 270 D C 1.225 177.489 176.300 -0.060 0.000 1.150 270 D CA -0.814 53.161 54.000 -0.040 0.000 1.090 270 D CB 0.543 41.332 40.800 -0.019 0.000 1.244 270 D HN 0.176 nan 8.370 nan 0.000 0.636 271 F N -0.100 119.712 119.950 -0.230 0.000 2.091 271 F HA -0.114 4.414 4.527 0.002 0.000 0.299 271 F C 2.051 177.755 175.800 -0.160 0.000 1.103 271 F CA 1.457 59.290 58.000 -0.279 0.000 1.228 271 F CB -0.263 38.507 39.000 -0.382 0.000 0.984 271 F HN 0.254 nan 8.300 nan 0.000 0.477 272 L N -0.123 121.057 121.223 -0.071 0.000 1.989 272 L HA -0.275 4.066 4.340 0.001 0.000 0.211 272 L C 2.593 179.381 176.870 -0.135 0.000 1.071 272 L CA 1.988 56.814 54.840 -0.023 0.000 0.749 272 L CB -0.621 41.587 42.059 0.248 0.000 0.890 272 L HN 0.261 nan 8.230 nan 0.000 0.431 273 Q N -0.250 119.497 119.800 -0.088 0.000 2.096 273 Q HA -0.259 4.082 4.340 0.001 0.000 0.204 273 Q C 1.990 177.910 176.000 -0.134 0.000 0.982 273 Q CA 1.768 57.520 55.803 -0.086 0.000 0.850 273 Q CB -0.552 28.152 28.738 -0.056 0.000 0.901 273 Q HN 0.365 nan 8.270 nan 0.000 0.422 274 L N -0.356 120.757 121.223 -0.183 0.000 2.081 274 L HA -0.165 4.176 4.340 0.001 0.000 0.212 274 L C 2.096 178.830 176.870 -0.227 0.000 1.080 274 L CA 1.914 56.633 54.840 -0.202 0.000 0.754 274 L CB -0.507 41.407 42.059 -0.242 0.000 0.893 274 L HN 0.399 nan 8.230 nan 0.000 0.433 275 M N -2.042 117.374 119.600 -0.308 0.000 2.236 275 M HA -0.131 4.350 4.480 0.001 0.000 0.266 275 M C 2.190 178.388 176.300 -0.170 0.000 1.070 275 M CA 1.312 56.446 55.300 -0.277 0.000 1.137 275 M CB -0.203 32.167 32.600 -0.382 0.000 1.378 275 M HN 0.189 nan 8.290 nan 0.000 0.426 276 I N 0.569 121.054 120.570 -0.142 0.000 2.226 276 I HA -0.297 3.874 4.170 0.001 0.000 0.245 276 I C 1.620 177.689 176.117 -0.080 0.000 1.100 276 I CA 1.105 62.349 61.300 -0.093 0.000 1.374 276 I CB -0.625 37.332 38.000 -0.071 0.000 1.057 276 I HN 0.248 nan 8.210 nan 0.000 0.413 277 D N 0.612 120.961 120.400 -0.084 0.000 2.265 277 D HA -0.164 4.476 4.640 0.001 0.000 0.208 277 D C 2.320 178.579 176.300 -0.068 0.000 0.977 277 D CA 1.683 55.641 54.000 -0.070 0.000 0.871 277 D CB -0.218 40.539 40.800 -0.071 0.000 0.925 277 D HN 0.419 nan 8.370 nan 0.000 0.485 278 S N -0.415 115.236 115.700 -0.082 0.000 2.414 278 S HA -0.083 4.388 4.470 0.001 0.000 0.227 278 S C 1.164 175.730 174.600 -0.058 0.000 1.022 278 S CA 0.102 58.258 58.200 -0.074 0.000 0.958 278 S CB -0.097 63.049 63.200 -0.091 0.000 0.797 278 S HN 0.209 nan 8.310 nan 0.000 0.493 290 L N 2.208 123.408 121.223 -0.039 0.000 2.462 290 L HA 0.254 4.595 4.340 0.001 0.000 0.272 290 L C 1.442 178.299 176.870 -0.022 0.000 1.166 290 L CA 0.080 54.900 54.840 -0.033 0.000 0.880 290 L CB 1.295 43.319 42.059 -0.057 0.000 1.142 290 L HN 0.876 nan 8.230 nan 0.000 0.473 291 S N 1.832 117.529 115.700 -0.004 0.000 2.580 291 S HA -0.039 4.432 4.470 0.001 0.000 0.266 291 S C 0.848 175.448 174.600 -0.001 0.000 1.354 291 S CA -0.349 57.853 58.200 0.003 0.000 1.008 291 S CB 0.906 64.119 63.200 0.021 0.000 0.898 291 S HN 0.668 nan 8.310 nan 0.000 0.555 292 D N 0.965 121.363 120.400 -0.004 0.000 2.178 292 D HA -0.022 4.619 4.640 0.001 0.000 0.201 292 D C 1.605 177.910 176.300 0.008 0.000 0.980 292 D CA 0.866 54.860 54.000 -0.010 0.000 0.842 292 D CB -0.151 40.637 40.800 -0.019 0.000 0.948 292 D HN 0.448 nan 8.370 nan 0.000 0.472 293 L N 0.699 121.941 121.223 0.031 0.000 2.095 293 L HA -0.036 4.305 4.340 0.001 0.000 0.204 293 L C 1.923 178.862 176.870 0.115 0.000 1.080 293 L CA 1.472 56.359 54.840 0.079 0.000 0.759 293 L CB -0.217 41.901 42.059 0.098 0.000 0.914 293 L HN -0.028 nan 8.230 nan 0.000 0.439 294 E N -0.554 119.695 120.200 0.081 0.000 2.097 294 E HA -0.301 4.050 4.350 0.001 0.000 0.196 294 E C 2.217 178.851 176.600 0.056 0.000 1.000 294 E CA 1.611 58.055 56.400 0.073 0.000 0.804 294 E CB -0.356 29.371 29.700 0.044 0.000 0.740 294 E HN 0.474 nan 8.360 nan 0.000 0.454 295 L N 0.725 121.962 121.223 0.023 0.000 2.083 295 L HA -0.183 4.158 4.340 0.001 0.000 0.209 295 L C 2.243 179.139 176.870 0.043 0.000 1.083 295 L CA 0.957 55.793 54.840 -0.006 0.000 0.752 295 L CB 0.016 42.050 42.059 -0.042 0.000 0.899 295 L HN -0.013 nan 8.230 nan 0.000 0.433 296 V N -0.053 119.902 119.914 0.069 0.000 2.427 296 V HA -0.234 3.887 4.120 0.001 0.000 0.248 296 V C 2.790 178.979 176.094 0.159 0.000 1.051 296 V CA 1.443 63.803 62.300 0.101 0.000 1.048 296 V CB -1.257 30.629 31.823 0.106 0.000 0.666 296 V HN 0.579 nan 8.190 nan 0.000 0.456 297 A N 0.238 123.156 122.820 0.164 0.000 1.865 297 A HA -0.269 4.052 4.320 0.001 0.000 0.217 297 A C 2.219 179.891 177.584 0.146 0.000 1.191 297 A CA 1.955 54.066 52.037 0.122 0.000 0.623 297 A CB -0.560 18.497 19.000 0.095 0.000 0.826 297 A HN 0.553 nan 8.150 nan 0.000 0.444 298 Q N 0.323 120.225 119.800 0.171 0.000 2.084 298 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 298 Q C 2.367 178.573 176.000 0.344 0.000 0.978 298 Q CA 1.797 57.744 55.803 0.240 0.000 0.844 298 Q CB -1.017 27.835 28.738 0.189 0.000 0.898 298 Q HN 0.651 nan 8.270 nan 0.000 0.426 299 S N 1.148 117.077 115.700 0.380 0.000 2.368 299 S HA -0.081 4.390 4.470 0.001 0.000 0.225 299 S C 2.130 176.963 174.600 0.389 0.000 1.030 299 S CA 0.969 59.476 58.200 0.511 0.000 0.999 299 S CB -0.275 63.127 63.200 0.337 0.000 0.844 299 S HN 0.289 nan 8.310 nan 0.000 0.459 300 I N 1.382 122.103 120.570 0.252 0.000 2.226 300 I HA -0.161 4.010 4.170 0.001 0.000 0.245 300 I C 1.983 178.241 176.117 0.234 0.000 1.100 300 I CA 0.802 62.217 61.300 0.192 0.000 1.374 300 I CB -0.372 37.664 38.000 0.060 0.000 1.057 300 I HN 0.233 nan 8.210 nan 0.000 0.413 301 I N 0.276 120.994 120.570 0.247 0.000 2.163 301 I HA -0.298 3.872 4.170 0.001 0.000 0.243 301 I C 2.520 178.879 176.117 0.404 0.000 1.085 301 I CA 2.020 63.501 61.300 0.302 0.000 1.347 301 I CB -1.208 36.997 38.000 0.342 0.000 1.044 301 I HN 0.126 nan 8.210 nan 0.000 0.408 302 F N 0.874 120.880 119.950 0.094 0.000 2.163 302 F HA -0.094 4.434 4.527 0.001 0.000 0.297 302 F C 2.545 178.386 175.800 0.068 0.000 1.094 302 F CA 0.925 58.902 58.000 -0.039 0.000 1.290 302 F CB -0.862 37.852 39.000 -0.476 0.000 1.017 302 F HN -0.042 nan 8.300 nan 0.000 0.483 303 I N -1.239 119.552 120.570 0.368 0.000 2.163 303 I HA -0.358 3.813 4.170 0.001 0.000 0.243 303 I C 2.410 178.718 176.117 0.320 0.000 1.085 303 I CA 1.532 63.041 61.300 0.349 0.000 1.347 303 I CB -0.552 37.694 38.000 0.410 0.000 1.044 303 I HN 0.047 nan 8.210 nan 0.000 0.408 304 F N 1.487 121.561 119.950 0.207 0.000 2.075 304 F HA -0.257 4.271 4.527 0.002 0.000 0.297 304 F C 2.532 178.444 175.800 0.187 0.000 1.113 304 F CA 1.644 59.769 58.000 0.208 0.000 1.218 304 F CB -0.439 38.650 39.000 0.147 0.000 0.984 304 F HN 0.015 nan 8.300 nan 0.000 0.472 305 A N 0.447 123.465 122.820 0.331 0.000 1.873 305 A HA -0.177 4.144 4.320 0.001 0.000 0.218 305 A C 2.480 180.082 177.584 0.030 0.000 1.193 305 A CA 2.087 54.212 52.037 0.146 0.000 0.629 305 A CB -1.909 17.126 19.000 0.058 0.000 0.826 305 A HN 0.557 nan 8.150 nan 0.000 0.447 306 G N -1.871 106.968 108.800 0.065 0.000 2.440 306 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 306 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 306 G C 1.577 176.532 174.900 0.092 0.000 1.154 306 G CA 1.384 46.555 45.100 0.119 0.000 0.767 306 G HN 0.680 nan 8.290 nan 0.000 0.552 307 Y N 1.296 121.566 120.300 -0.049 0.000 2.114 307 Y HA -0.030 4.521 4.550 0.001 0.000 0.284 307 Y C 2.837 178.634 175.900 -0.172 0.000 1.119 307 Y CA 2.209 60.255 58.100 -0.090 0.000 1.108 307 Y CB -0.141 38.263 38.460 -0.094 0.000 0.995 307 Y HN 0.273 nan 8.280 nan 0.000 0.491 308 E N -0.208 119.657 120.200 -0.559 0.000 2.033 308 E HA -0.136 4.215 4.350 0.001 0.000 0.189 308 E C 2.349 178.696 176.600 -0.422 0.000 0.979 308 E CA 2.155 58.112 56.400 -0.738 0.000 0.802 308 E CB -0.960 28.172 29.700 -0.948 0.000 0.763 308 E HN 0.404 nan 8.360 nan 0.000 0.449 309 T N -0.857 113.543 114.554 -0.256 0.000 2.746 309 T HA -0.120 4.231 4.350 0.001 0.000 0.267 309 T C 1.752 176.369 174.700 -0.138 0.000 1.039 309 T CA 2.163 64.186 62.100 -0.129 0.000 1.142 309 T CB -0.661 68.179 68.868 -0.046 0.000 0.866 309 T HN 0.294 nan 8.240 nan 0.000 0.444 310 T N 1.627 116.093 114.554 -0.146 0.000 2.652 310 T HA -0.128 4.223 4.350 0.001 0.000 0.267 310 T C 2.359 176.943 174.700 -0.194 0.000 1.039 310 T CA 1.972 63.986 62.100 -0.143 0.000 1.153 310 T CB -0.632 68.177 68.868 -0.098 0.000 0.863 310 T HN 0.657 nan 8.240 nan 0.000 0.428 311 S N 1.256 116.810 115.700 -0.243 0.000 2.402 311 S HA -0.070 4.400 4.470 0.001 0.000 0.229 311 S C 2.289 176.717 174.600 -0.287 0.000 1.021 311 S CA 1.255 59.301 58.200 -0.256 0.000 0.974 311 S CB -0.547 62.452 63.200 -0.335 0.000 0.800 311 S HN 0.342 nan 8.310 nan 0.000 0.484 312 S N 1.740 117.279 115.700 -0.268 0.000 2.343 312 S HA -0.054 4.417 4.470 0.001 0.000 0.219 312 S C 2.020 176.503 174.600 -0.194 0.000 1.033 312 S CA 1.496 59.555 58.200 -0.235 0.000 1.014 312 S CB -0.744 62.404 63.200 -0.086 0.000 0.915 312 S HN 0.449 nan 8.310 nan 0.000 0.435 313 V N 2.266 122.142 119.914 -0.062 0.000 2.407 313 V HA -0.143 3.978 4.120 0.001 0.000 0.248 313 V C 2.215 178.226 176.094 -0.139 0.000 1.055 313 V CA 1.382 63.700 62.300 0.030 0.000 1.049 313 V CB -0.824 30.981 31.823 -0.031 0.000 0.662 313 V HN 0.381 nan 8.190 nan 0.000 0.455 314 L N 0.070 121.105 121.223 -0.312 0.000 2.042 314 L HA -0.209 4.132 4.340 0.001 0.000 0.210 314 L C 2.637 179.148 176.870 -0.598 0.000 1.076 314 L CA 1.853 56.363 54.840 -0.551 0.000 0.749 314 L CB -0.543 41.005 42.059 -0.850 0.000 0.893 314 L HN 0.361 nan 8.230 nan 0.000 0.432 315 S N -0.530 114.861 115.700 -0.515 0.000 2.382 315 S HA -0.140 4.331 4.470 0.001 0.000 0.228 315 S C 1.739 176.069 174.600 -0.449 0.000 1.027 315 S CA 1.291 59.214 58.200 -0.462 0.000 0.991 315 S CB -0.400 62.499 63.200 -0.502 0.000 0.823 315 S HN 0.285 nan 8.310 nan 0.000 0.469 316 F N 1.502 121.238 119.950 -0.357 0.000 2.146 316 F HA -0.011 4.516 4.527 0.001 0.000 0.298 316 F C 2.073 177.700 175.800 -0.288 0.000 1.096 316 F CA 0.735 58.466 58.000 -0.448 0.000 1.275 316 F CB -0.526 38.084 39.000 -0.651 0.000 1.008 316 F HN 0.137 nan 8.300 nan 0.000 0.480 317 I N -0.821 119.689 120.570 -0.099 0.000 2.179 317 I HA -0.320 3.851 4.170 0.001 0.000 0.242 317 I C 2.328 178.318 176.117 -0.213 0.000 1.088 317 I CA 0.926 62.138 61.300 -0.147 0.000 1.357 317 I CB -0.471 37.421 38.000 -0.180 0.000 1.051 317 I HN 0.097 nan 8.210 nan 0.000 0.409 318 M N -0.104 119.327 119.600 -0.281 0.000 2.108 318 M HA -0.236 4.245 4.480 0.001 0.000 0.261 318 M C 2.464 178.667 176.300 -0.161 0.000 1.066 318 M CA 1.805 56.925 55.300 -0.301 0.000 1.107 318 M CB -1.482 30.903 32.600 -0.359 0.000 1.356 318 M HN 0.293 nan 8.290 nan 0.000 0.406 319 Y N 1.678 121.846 120.300 -0.219 0.000 2.128 319 Y HA -0.224 4.327 4.550 0.001 0.000 0.284 319 Y C 2.177 177.983 175.900 -0.157 0.000 1.154 319 Y CA 1.805 59.812 58.100 -0.156 0.000 1.149 319 Y CB -0.099 38.256 38.460 -0.175 0.000 0.976 319 Y HN 0.217 nan 8.280 nan 0.000 0.505 320 E N 0.528 120.550 120.200 -0.297 0.000 2.072 320 E HA -0.173 4.178 4.350 0.001 0.000 0.191 320 E C 2.348 178.668 176.600 -0.466 0.000 0.985 320 E CA 1.472 57.483 56.400 -0.648 0.000 0.801 320 E CB -0.562 28.406 29.700 -1.220 0.000 0.750 320 E HN 0.565 nan 8.360 nan 0.000 0.452 321 L N 0.365 121.424 121.223 -0.274 0.000 2.093 321 L HA -0.103 4.238 4.340 0.001 0.000 0.208 321 L C 2.481 179.331 176.870 -0.032 0.000 1.085 321 L CA 1.008 55.797 54.840 -0.085 0.000 0.755 321 L CB -0.465 41.554 42.059 -0.066 0.000 0.904 321 L HN 0.053 nan 8.230 nan 0.000 0.435 322 A N -1.202 121.568 122.820 -0.084 0.000 1.929 322 A HA -0.180 4.141 4.320 0.001 0.000 0.216 322 A C 2.356 179.888 177.584 -0.085 0.000 1.176 322 A CA 2.139 54.159 52.037 -0.028 0.000 0.628 322 A CB -0.608 18.393 19.000 0.000 0.000 0.816 322 A HN 0.300 nan 8.150 nan 0.000 0.444 323 T N -1.552 112.880 114.554 -0.204 0.000 3.100 323 T HA 0.067 4.418 4.350 0.001 0.000 0.253 323 T C -0.245 174.400 174.700 -0.092 0.000 1.118 323 T CA 0.385 62.361 62.100 -0.206 0.000 1.058 323 T CB -0.266 68.320 68.868 -0.469 0.000 0.953 323 T HN 0.530 nan 8.240 nan 0.000 0.515 324 H N 0.550 119.548 119.070 -0.120 0.000 2.423 324 H HA 0.332 4.889 4.556 0.002 0.000 0.237 324 H C -2.097 173.256 175.328 0.041 0.000 1.391 324 H CA -2.022 54.031 56.048 0.008 0.000 1.453 324 H CB 1.338 31.170 29.762 0.116 0.000 1.484 324 H HN 0.121 nan 8.280 nan 0.000 0.505 325 P HA -0.151 nan 4.420 nan 0.000 0.219 325 P C 1.415 178.773 177.300 0.096 0.000 1.150 325 P CA 1.072 64.220 63.100 0.080 0.000 0.814 325 P CB 0.443 32.167 31.700 0.040 0.000 0.787 326 D N -0.505 119.953 120.400 0.097 0.000 2.263 326 D HA -0.092 4.549 4.640 0.001 0.000 0.208 326 D C 1.501 177.883 176.300 0.137 0.000 0.971 326 D CA 1.037 55.093 54.000 0.093 0.000 0.867 326 D CB -0.574 40.272 40.800 0.077 0.000 0.929 326 D HN 0.077 nan 8.370 nan 0.000 0.492 327 V N 0.473 120.521 119.914 0.223 0.000 2.599 327 V HA -0.142 3.979 4.120 0.001 0.000 0.245 327 V C 2.791 179.064 176.094 0.298 0.000 1.046 327 V CA 1.014 63.507 62.300 0.323 0.000 1.065 327 V CB -0.489 31.587 31.823 0.422 0.000 0.703 327 V HN 0.148 nan 8.190 nan 0.000 0.464 328 Q N 0.196 120.122 119.800 0.210 0.000 2.030 328 Q HA -0.304 4.037 4.340 0.001 0.000 0.204 328 Q C 2.407 178.490 176.000 0.139 0.000 0.986 328 Q CA 2.371 58.272 55.803 0.163 0.000 0.843 328 Q CB -0.221 28.593 28.738 0.127 0.000 0.904 328 Q HN 0.684 nan 8.270 nan 0.000 0.420 329 Q N 0.514 120.375 119.800 0.102 0.000 2.077 329 Q HA -0.283 4.058 4.340 0.001 0.000 0.206 329 Q C 2.037 178.054 176.000 0.027 0.000 0.989 329 Q CA 2.111 57.949 55.803 0.059 0.000 0.853 329 Q CB -0.152 28.609 28.738 0.038 0.000 0.907 329 Q HN 0.237 nan 8.270 nan 0.000 0.418 330 K N 0.122 120.518 120.400 -0.007 0.000 2.152 330 K HA -0.131 4.190 4.320 0.001 0.000 0.206 330 K C 2.129 178.649 176.600 -0.133 0.000 1.048 330 K CA 0.989 57.174 56.287 -0.170 0.000 0.933 330 K CB -0.163 32.095 32.500 -0.404 0.000 0.721 330 K HN 0.310 nan 8.250 nan 0.000 0.447 331 L N 0.451 121.745 121.223 0.119 0.000 2.109 331 L HA -0.192 4.148 4.340 0.001 0.000 0.207 331 L C 2.141 179.080 176.870 0.115 0.000 1.086 331 L CA 1.358 56.343 54.840 0.242 0.000 0.760 331 L CB -0.100 42.125 42.059 0.277 0.000 0.910 331 L HN 0.353 nan 8.230 nan 0.000 0.437 332 Q N -0.488 119.360 119.800 0.080 0.000 2.123 332 Q HA -0.222 4.119 4.340 0.001 0.000 0.199 332 Q C 1.888 177.904 176.000 0.026 0.000 0.966 332 Q CA 1.347 57.183 55.803 0.055 0.000 0.845 332 Q CB 0.021 28.793 28.738 0.057 0.000 0.907 332 Q HN 0.494 nan 8.270 nan 0.000 0.439 333 E N 0.628 120.831 120.200 0.004 0.000 2.204 333 E HA -0.234 4.117 4.350 0.001 0.000 0.195 333 E C 1.793 178.383 176.600 -0.017 0.000 0.990 333 E CA 1.155 57.544 56.400 -0.018 0.000 0.821 333 E CB 0.126 29.797 29.700 -0.047 0.000 0.750 333 E HN 0.369 nan 8.360 nan 0.000 0.477 334 E N 0.771 120.968 120.200 -0.005 0.000 2.060 334 E HA -0.114 4.236 4.350 0.001 0.000 0.189 334 E C 2.010 178.627 176.600 0.028 0.000 0.974 334 E CA 0.551 56.960 56.400 0.015 0.000 0.808 334 E CB -0.046 29.687 29.700 0.055 0.000 0.768 334 E HN 0.162 nan 8.360 nan 0.000 0.453 335 I N 1.722 122.316 120.570 0.041 0.000 2.208 335 I HA -0.269 3.902 4.170 0.001 0.000 0.245 335 I C 1.656 177.786 176.117 0.022 0.000 1.097 335 I CA 1.429 62.750 61.300 0.035 0.000 1.363 335 I CB -0.213 37.813 38.000 0.044 0.000 1.051 335 I HN 0.202 nan 8.210 nan 0.000 0.413 336 D N 0.663 121.073 120.400 0.017 0.000 2.224 336 D HA -0.046 4.595 4.640 0.001 0.000 0.205 336 D C 2.158 178.461 176.300 0.005 0.000 0.965 336 D CA 1.186 55.191 54.000 0.009 0.000 0.852 336 D CB 0.049 40.852 40.800 0.004 0.000 0.947 336 D HN 0.344 nan 8.370 nan 0.000 0.494 337 A N 0.423 123.245 122.820 0.004 0.000 2.016 337 A HA -0.034 4.287 4.320 0.001 0.000 0.217 337 A C 2.352 179.939 177.584 0.005 0.000 1.162 337 A CA 0.668 52.705 52.037 0.001 0.000 0.662 337 A CB -0.157 18.841 19.000 -0.004 0.000 0.812 337 A HN 0.128 nan 8.150 nan 0.000 0.450 338 V N -0.532 119.387 119.914 0.009 0.000 2.725 338 V HA 0.125 4.246 4.120 0.001 0.000 0.247 338 V C 0.632 176.733 176.094 0.011 0.000 1.058 338 V CA 0.794 63.100 62.300 0.010 0.000 1.080 338 V CB -0.246 31.584 31.823 0.011 0.000 0.713 338 V HN 0.440 nan 8.190 nan 0.000 0.465 339 L N 3.311 124.541 121.223 0.012 0.000 2.408 339 L HA 0.394 4.735 4.340 0.001 0.000 0.257 339 L C -2.521 174.354 176.870 0.009 0.000 1.053 339 L CA -1.626 53.222 54.840 0.013 0.000 0.922 339 L CB 1.211 43.280 42.059 0.017 0.000 1.261 339 L HN 0.087 nan 8.230 nan 0.000 0.458 340 P HA -0.048 nan 4.420 nan 0.000 0.265 340 P C 0.023 177.324 177.300 0.002 0.000 1.193 340 P CA -0.038 63.064 63.100 0.003 0.000 0.765 340 P CB 0.335 32.037 31.700 0.003 0.000 0.823 341 N N 3.624 122.323 118.700 -0.002 0.000 2.725 341 N HA -0.273 4.468 4.740 0.001 0.000 0.280 341 N C -0.220 175.287 175.510 -0.005 0.000 1.017 341 N CA 1.015 54.061 53.050 -0.006 0.000 0.813 341 N CB -1.549 36.934 38.487 -0.007 0.000 0.931 341 N HN 0.655 nan 8.380 nan 0.000 0.570 342 K N -3.358 117.039 120.400 -0.005 0.000 3.071 342 K HA -0.214 4.107 4.320 0.001 0.000 0.265 342 K C 0.550 177.154 176.600 0.006 0.000 1.060 342 K CA 1.079 57.364 56.287 -0.003 0.000 0.767 342 K CB -2.182 30.309 32.500 -0.016 0.000 1.241 342 K HN 0.852 nan 8.250 nan 0.000 0.486 343 A N 1.300 124.125 122.820 0.009 0.000 2.520 343 A HA 0.269 4.590 4.320 0.001 0.000 0.235 343 A C -1.858 175.739 177.584 0.022 0.000 1.065 343 A CA -0.630 51.416 52.037 0.015 0.000 0.764 343 A CB -0.100 18.910 19.000 0.015 0.000 1.002 343 A HN 0.015 nan 8.150 nan 0.000 0.502 344 P HA 0.220 nan 4.420 nan 0.000 0.268 344 P C -2.405 174.919 177.300 0.041 0.000 1.205 344 P CA -0.789 62.333 63.100 0.037 0.000 0.771 344 P CB 0.020 31.743 31.700 0.038 0.000 0.858 345 P HA 0.113 nan 4.420 nan 0.000 0.275 345 P C -0.572 176.764 177.300 0.060 0.000 1.228 345 P CA 0.084 63.212 63.100 0.046 0.000 0.786 345 P CB 0.558 32.286 31.700 0.047 0.000 0.927 346 T N -1.167 113.422 114.554 0.060 0.000 2.916 346 T HA 0.213 4.564 4.350 0.001 0.000 0.292 346 T C 0.866 175.632 174.700 0.110 0.000 1.055 346 T CA -0.627 61.529 62.100 0.093 0.000 1.009 346 T CB 0.978 69.898 68.868 0.087 0.000 1.118 346 T HN 0.359 nan 8.240 nan 0.000 0.497 347 Y N 2.097 122.415 120.300 0.030 0.000 2.062 347 Y HA -0.301 4.250 4.550 0.001 0.000 0.276 347 Y C 1.629 177.540 175.900 0.019 0.000 1.189 347 Y CA 2.725 60.841 58.100 0.027 0.000 1.130 347 Y CB -0.478 38.003 38.460 0.034 0.000 0.959 347 Y HN 0.828 nan 8.280 nan 0.000 0.499 348 D N -1.414 119.062 120.400 0.128 0.000 2.234 348 D HA -0.109 4.532 4.640 0.001 0.000 0.205 348 D C 2.211 178.494 176.300 -0.029 0.000 0.962 348 D CA 1.687 55.708 54.000 0.034 0.000 0.855 348 D CB -0.450 40.423 40.800 0.122 0.000 0.951 348 D HN 0.543 nan 8.370 nan 0.000 0.500 349 T N -1.100 113.451 114.554 -0.005 0.000 2.857 349 T HA -0.102 4.249 4.350 0.001 0.000 0.266 349 T C 2.150 176.826 174.700 -0.041 0.000 1.048 349 T CA 0.579 62.673 62.100 -0.011 0.000 1.139 349 T CB -0.793 68.081 68.868 0.011 0.000 0.874 349 T HN -0.005 nan 8.240 nan 0.000 0.455 350 V N 2.333 122.205 119.914 -0.070 0.000 2.252 350 V HA -0.168 3.952 4.120 0.001 0.000 0.249 350 V C 2.784 178.802 176.094 -0.127 0.000 1.056 350 V CA 1.804 64.044 62.300 -0.099 0.000 1.022 350 V CB -0.941 30.802 31.823 -0.133 0.000 0.641 350 V HN 0.462 nan 8.190 nan 0.000 0.445 351 L N -0.629 120.479 121.223 -0.192 0.000 2.127 351 L HA -0.276 4.064 4.340 0.001 0.000 0.211 351 L C 2.645 179.463 176.870 -0.087 0.000 1.089 351 L CA 1.630 56.368 54.840 -0.169 0.000 0.757 351 L CB -0.636 41.298 42.059 -0.209 0.000 0.899 351 L HN 0.442 nan 8.230 nan 0.000 0.434 352 Q N -0.543 119.221 119.800 -0.060 0.000 2.224 352 Q HA -0.051 4.290 4.340 0.001 0.000 0.203 352 Q C 0.791 176.783 176.000 -0.015 0.000 0.970 352 Q CA 0.629 56.416 55.803 -0.027 0.000 0.865 352 Q CB 0.013 28.743 28.738 -0.013 0.000 0.922 352 Q HN 0.483 nan 8.270 nan 0.000 0.445 353 M N 1.431 121.019 119.600 -0.019 0.000 2.685 353 M HA -0.026 4.455 4.480 0.001 0.000 0.316 353 M C 0.806 177.112 176.300 0.009 0.000 1.523 353 M CA 0.309 55.612 55.300 0.004 0.000 1.472 353 M CB 0.248 32.849 32.600 0.001 0.000 1.525 353 M HN 0.197 nan 8.290 nan 0.000 0.471 354 E N 2.214 122.434 120.200 0.034 0.000 2.017 354 E HA -0.234 4.117 4.350 0.001 0.000 0.193 354 E C 1.514 178.153 176.600 0.064 0.000 0.997 354 E CA 1.751 58.176 56.400 0.041 0.000 0.804 354 E CB 0.035 29.770 29.700 0.058 0.000 0.757 354 E HN 0.745 nan 8.360 nan 0.000 0.448 355 Y N 0.528 120.817 120.300 -0.019 0.000 2.274 355 Y HA -0.236 4.314 4.550 0.002 0.000 0.290 355 Y C 2.114 177.999 175.900 -0.024 0.000 1.145 355 Y CA 1.116 59.206 58.100 -0.016 0.000 1.203 355 Y CB -0.004 38.452 38.460 -0.007 0.000 0.984 355 Y HN 0.167 nan 8.280 nan 0.000 0.533 356 L N 0.663 121.886 121.223 -0.000 0.000 1.989 356 L HA -0.232 4.109 4.340 0.001 0.000 0.211 356 L C 1.944 178.723 176.870 -0.151 0.000 1.071 356 L CA 2.544 57.337 54.840 -0.079 0.000 0.749 356 L CB -1.159 40.883 42.059 -0.028 0.000 0.890 356 L HN 0.270 nan 8.230 nan 0.000 0.431 357 D N -1.206 119.120 120.400 -0.122 0.000 2.158 357 D HA -0.268 4.373 4.640 0.001 0.000 0.197 357 D C 2.158 178.325 176.300 -0.222 0.000 0.995 357 D CA 1.937 55.848 54.000 -0.147 0.000 0.846 357 D CB -0.043 40.695 40.800 -0.103 0.000 0.941 357 D HN 0.418 nan 8.370 nan 0.000 0.456 358 M N -0.785 118.679 119.600 -0.226 0.000 2.132 358 M HA -0.123 4.358 4.480 0.001 0.000 0.263 358 M C 2.185 178.264 176.300 -0.368 0.000 1.065 358 M CA 0.747 55.889 55.300 -0.263 0.000 1.122 358 M CB -0.038 32.427 32.600 -0.225 0.000 1.365 358 M HN -0.011 nan 8.290 nan 0.000 0.411 359 V N -0.371 119.303 119.914 -0.399 0.000 2.358 359 V HA -0.179 3.942 4.120 0.001 0.000 0.246 359 V C 2.323 178.330 176.094 -0.146 0.000 1.047 359 V CA 1.319 63.454 62.300 -0.275 0.000 1.035 359 V CB -0.403 31.279 31.823 -0.235 0.000 0.658 359 V HN 0.251 nan 8.190 nan 0.000 0.452 360 V N 0.617 120.423 119.914 -0.181 0.000 2.261 360 V HA -0.254 3.867 4.120 0.001 0.000 0.246 360 V C 2.357 178.337 176.094 -0.191 0.000 1.047 360 V CA 2.309 64.524 62.300 -0.140 0.000 1.015 360 V CB -0.890 30.856 31.823 -0.129 0.000 0.642 360 V HN 0.546 nan 8.190 nan 0.000 0.446 361 N N 0.115 118.582 118.700 -0.388 0.000 2.094 361 N HA -0.214 4.527 4.740 0.001 0.000 0.191 361 N C 1.870 176.948 175.510 -0.720 0.000 1.023 361 N CA 1.752 54.374 53.050 -0.714 0.000 0.857 361 N CB -0.379 37.215 38.487 -1.489 0.000 1.013 361 N HN 0.594 nan 8.380 nan 0.000 0.426 362 E N -0.007 119.870 120.200 -0.538 0.000 2.152 362 E HA -0.025 4.326 4.350 0.001 0.000 0.192 362 E C 1.487 178.118 176.600 0.051 0.000 0.983 362 E CA 1.224 57.544 56.400 -0.133 0.000 0.818 362 E CB -0.341 29.194 29.700 -0.274 0.000 0.758 362 E HN 0.294 nan 8.360 nan 0.000 0.467 363 T N 0.607 115.268 114.554 0.179 0.000 2.821 363 T HA -0.064 4.287 4.350 0.001 0.000 0.267 363 T C 1.728 176.542 174.700 0.190 0.000 1.046 363 T CA 1.061 63.354 62.100 0.323 0.000 1.139 363 T CB -0.162 68.852 68.868 0.242 0.000 0.871 363 T HN 0.133 nan 8.240 nan 0.000 0.454 364 L N 0.346 121.599 121.223 0.050 0.000 2.395 364 L HA 0.106 4.447 4.340 0.001 0.000 0.218 364 L C 2.810 179.693 176.870 0.023 0.000 1.130 364 L CA 0.634 55.471 54.840 -0.004 0.000 0.826 364 L CB -0.317 41.696 42.059 -0.077 0.000 0.941 364 L HN 0.136 nan 8.230 nan 0.000 0.451 365 R N 0.520 121.049 120.500 0.048 0.000 2.073 365 R HA -0.109 4.232 4.340 0.001 0.000 0.229 365 R C 2.111 178.312 176.300 -0.164 0.000 1.120 365 R CA 1.254 57.311 56.100 -0.070 0.000 0.967 365 R CB -0.034 30.121 30.300 -0.242 0.000 0.862 365 R HN 0.330 nan 8.270 nan 0.000 0.436 366 L N -0.464 120.597 121.223 -0.270 0.000 2.341 366 L HA 0.071 4.412 4.340 0.001 0.000 0.214 366 L C 0.120 176.442 176.870 -0.913 0.000 1.115 366 L CA 0.495 54.964 54.840 -0.618 0.000 0.820 366 L CB 0.301 41.942 42.059 -0.696 0.000 0.944 366 L HN 0.069 nan 8.230 nan 0.000 0.452 367 F N 0.239 120.077 119.950 -0.187 0.000 2.584 367 F HA 0.304 4.832 4.527 0.001 0.000 0.328 367 F C -2.344 173.294 175.800 -0.270 0.000 1.407 367 F CA -2.062 55.725 58.000 -0.356 0.000 1.145 367 F CB 0.471 38.932 39.000 -0.899 0.000 1.440 367 F HN -0.191 nan 8.300 nan 0.000 0.580 368 P HA 0.142 nan 4.420 nan 0.000 0.279 368 P C 1.041 178.262 177.300 -0.132 0.000 1.318 368 P CA -0.093 62.936 63.100 -0.117 0.000 0.819 368 P CB 0.687 32.292 31.700 -0.159 0.000 0.927 369 I N 1.083 121.561 120.570 -0.153 0.000 2.916 369 I HA -0.072 4.099 4.170 0.001 0.000 0.267 369 I C 1.588 177.631 176.117 -0.123 0.000 1.263 369 I CA 1.198 62.434 61.300 -0.107 0.000 1.471 369 I CB -0.408 37.555 38.000 -0.062 0.000 1.089 369 I HN 0.144 nan 8.210 nan 0.000 0.468 370 A N 0.442 123.165 122.820 -0.162 0.000 2.021 370 A HA 0.158 4.478 4.320 0.001 0.000 0.216 370 A C 2.011 179.481 177.584 -0.190 0.000 1.163 370 A CA 1.307 53.242 52.037 -0.168 0.000 0.676 370 A CB -0.219 18.682 19.000 -0.165 0.000 0.818 370 A HN 0.593 nan 8.150 nan 0.000 0.453 371 M N -3.726 115.775 119.600 -0.165 0.000 2.814 371 M HA -0.272 4.209 4.480 0.001 0.000 0.150 371 M C 0.350 176.582 176.300 -0.113 0.000 0.693 371 M CA 2.012 57.235 55.300 -0.129 0.000 0.575 371 M CB -0.782 31.702 32.600 -0.193 0.000 2.110 371 M HN 0.419 nan 8.290 nan 0.000 0.260 372 R N 0.302 120.714 120.500 -0.147 0.000 2.575 372 R HA 0.669 5.010 4.340 0.001 0.000 0.293 372 R C -1.548 174.682 176.300 -0.116 0.000 0.983 372 R CA -0.634 55.407 56.100 -0.098 0.000 0.887 372 R CB 1.711 31.981 30.300 -0.049 0.000 1.184 372 R HN -0.000 nan 8.270 nan 0.000 0.445 373 L N 2.963 124.125 121.223 -0.101 0.000 2.334 373 L HA 0.467 4.808 4.340 0.001 0.000 0.277 373 L C 0.018 176.834 176.870 -0.090 0.000 1.075 373 L CA -0.062 54.719 54.840 -0.099 0.000 0.804 373 L CB 1.181 43.182 42.059 -0.096 0.000 1.174 373 L HN 0.692 nan 8.230 nan 0.000 0.438 374 E N 2.003 122.149 120.200 -0.089 0.000 2.433 374 E HA 0.844 5.195 4.350 0.001 0.000 0.278 374 E C -1.171 175.380 176.600 -0.081 0.000 0.976 374 E CA -1.257 55.094 56.400 -0.081 0.000 0.793 374 E CB 2.388 32.060 29.700 -0.047 0.000 1.311 374 E HN 0.325 nan 8.360 nan 0.000 0.460 375 R N 0.841 121.302 120.500 -0.066 0.000 2.522 375 R HA 0.294 4.635 4.340 0.001 0.000 0.273 375 R C -1.708 174.629 176.300 0.062 0.000 1.133 375 R CA -0.503 55.585 56.100 -0.020 0.000 0.969 375 R CB 2.228 32.504 30.300 -0.041 0.000 1.235 375 R HN 0.448 nan 8.270 nan 0.000 0.433 376 V N 3.354 123.306 119.914 0.064 0.000 2.614 376 V HA 0.096 4.217 4.120 0.001 0.000 0.291 376 V C 0.340 176.505 176.094 0.118 0.000 1.049 376 V CA -0.513 61.829 62.300 0.069 0.000 1.038 376 V CB 1.250 33.088 31.823 0.025 0.000 0.980 376 V HN 0.823 nan 8.190 nan 0.000 0.481 377 C N 6.380 125.741 119.300 0.102 0.000 2.442 377 C HA 0.220 4.681 4.460 0.001 0.000 0.362 377 C C 1.782 176.681 174.990 -0.151 0.000 1.242 377 C CA -0.501 58.493 59.018 -0.040 0.000 1.741 377 C CB -0.913 26.860 27.740 0.055 0.000 2.378 377 C HN 1.027 nan 8.230 nan 0.000 0.549 378 K N 2.831 123.081 120.400 -0.250 0.000 2.217 378 K HA -0.026 4.295 4.320 0.001 0.000 0.202 378 K C 0.583 177.098 176.600 -0.141 0.000 1.051 378 K CA 1.072 57.262 56.287 -0.161 0.000 0.952 378 K CB 0.144 32.551 32.500 -0.154 0.000 0.736 378 K HN 0.825 nan 8.250 nan 0.000 0.453 379 K N 0.038 120.323 120.400 -0.192 0.000 2.551 379 K HA 0.175 4.496 4.320 0.001 0.000 0.269 379 K C -1.746 174.762 176.600 -0.153 0.000 0.949 379 K CA -0.917 55.289 56.287 -0.134 0.000 0.849 379 K CB 1.268 33.705 32.500 -0.105 0.000 1.411 379 K HN -0.306 nan 8.250 nan 0.000 0.432 380 D N 1.472 121.818 120.400 -0.089 0.000 2.520 380 D HA 0.144 4.785 4.640 0.001 0.000 0.243 380 D C -0.610 175.646 176.300 -0.074 0.000 1.160 380 D CA 0.285 54.228 54.000 -0.095 0.000 0.877 380 D CB 1.116 42.001 40.800 0.142 0.000 1.150 380 D HN 0.376 nan 8.370 nan 0.000 0.494 381 V N 2.083 121.890 119.914 -0.179 0.000 3.147 381 V HA 0.349 4.470 4.120 0.001 0.000 0.306 381 V C -1.335 174.756 176.094 -0.006 0.000 1.209 381 V CA -0.789 61.472 62.300 -0.065 0.000 1.023 381 V CB 2.543 34.300 31.823 -0.111 0.000 1.059 381 V HN 0.502 nan 8.190 nan 0.000 0.435 382 E N 3.898 124.149 120.200 0.085 0.000 2.155 382 E HA 0.655 5.006 4.350 0.001 0.000 0.264 382 E C -1.101 175.550 176.600 0.085 0.000 0.886 382 E CA -0.630 55.842 56.400 0.120 0.000 0.752 382 E CB 1.524 31.314 29.700 0.150 0.000 1.133 382 E HN 0.676 nan 8.360 nan 0.000 0.414 383 I N 1.189 121.805 120.570 0.077 0.000 2.509 383 I HA 0.456 4.627 4.170 0.001 0.000 0.293 383 I C 0.022 176.159 176.117 0.033 0.000 1.020 383 I CA -0.882 60.454 61.300 0.060 0.000 1.088 383 I CB 1.890 39.934 38.000 0.074 0.000 1.267 383 I HN 0.516 nan 8.210 nan 0.000 0.430 384 N N 4.164 122.877 118.700 0.021 0.000 2.693 384 N HA -0.264 4.476 4.740 0.001 0.000 0.250 384 N C 1.011 176.536 175.510 0.024 0.000 1.033 384 N CA 1.122 54.178 53.050 0.011 0.000 0.747 384 N CB -0.796 37.685 38.487 -0.011 0.000 0.964 384 N HN 1.385 nan 8.380 nan 0.000 0.540 385 G N -0.556 108.268 108.800 0.041 0.000 2.157 385 G HA2 -0.321 3.640 3.960 0.001 0.000 0.248 385 G HA3 -0.321 3.640 3.960 0.001 0.000 0.248 385 G C -0.132 174.809 174.900 0.070 0.000 0.979 385 G CA 0.464 45.595 45.100 0.051 0.000 0.650 385 G HN 0.471 nan 8.290 nan 0.000 0.529 386 M N 0.365 120.010 119.600 0.076 0.000 2.321 386 M HA 0.714 5.195 4.480 0.001 0.000 0.315 386 M C -0.767 175.618 176.300 0.142 0.000 1.052 386 M CA -1.288 54.073 55.300 0.100 0.000 0.936 386 M CB 1.331 33.964 32.600 0.055 0.000 1.639 386 M HN 0.188 nan 8.290 nan 0.000 0.433 387 F N 6.517 126.489 119.950 0.038 0.000 2.445 387 F HA 0.546 5.073 4.527 0.001 0.000 0.359 387 F C -1.333 174.500 175.800 0.055 0.000 1.101 387 F CA -0.263 57.762 58.000 0.042 0.000 1.177 387 F CB 0.466 39.485 39.000 0.033 0.000 1.110 387 F HN 0.459 nan 8.300 nan 0.000 0.522 388 I N 8.552 128.715 120.570 -0.679 0.000 2.382 388 I HA 0.328 4.499 4.170 0.001 0.000 0.286 388 I C -2.355 173.272 176.117 -0.817 0.000 1.002 388 I CA -2.319 58.660 61.300 -0.534 0.000 1.135 388 I CB 1.563 39.476 38.000 -0.145 0.000 1.288 388 I HN 0.460 nan 8.210 nan 0.000 0.448 389 P HA 0.016 nan 4.420 nan 0.000 0.269 389 P C -0.491 176.682 177.300 -0.212 0.000 1.209 389 P CA -0.491 62.369 63.100 -0.400 0.000 0.776 389 P CB 0.539 32.164 31.700 -0.125 0.000 0.876 390 K N 1.988 122.304 120.400 -0.141 0.000 2.550 390 K HA 0.046 4.367 4.320 0.001 0.000 0.280 390 K C 1.200 177.763 176.600 -0.062 0.000 0.987 390 K CA 1.326 57.558 56.287 -0.092 0.000 1.048 390 K CB -0.723 31.745 32.500 -0.053 0.000 0.879 390 K HN 0.790 nan 8.250 nan 0.000 0.491 391 G N 1.959 110.730 108.800 -0.048 0.000 2.241 391 G HA2 -0.259 3.701 3.960 0.001 0.000 0.244 391 G HA3 -0.259 3.701 3.960 0.001 0.000 0.244 391 G C 0.050 174.941 174.900 -0.015 0.000 0.998 391 G CA 0.090 45.176 45.100 -0.023 0.000 0.621 391 G HN 0.573 nan 8.290 nan 0.000 0.519 392 V N 1.513 121.411 119.914 -0.027 0.000 2.655 392 V HA 0.337 4.458 4.120 0.001 0.000 0.300 392 V C 1.149 177.248 176.094 0.009 0.000 1.044 392 V CA -0.003 62.288 62.300 -0.014 0.000 1.095 392 V CB 1.688 33.501 31.823 -0.016 0.000 0.952 392 V HN 0.288 nan 8.190 nan 0.000 0.485 393 V N 6.699 126.609 119.914 -0.008 0.000 2.389 393 V HA 0.153 4.274 4.120 0.001 0.000 0.264 393 V C 0.229 176.286 176.094 -0.062 0.000 1.049 393 V CA -0.223 62.066 62.300 -0.018 0.000 0.932 393 V CB 1.335 33.145 31.823 -0.021 0.000 1.011 393 V HN 0.613 nan 8.190 nan 0.000 0.475 394 V N 7.173 127.053 119.914 -0.057 0.000 2.488 394 V HA 0.326 4.446 4.120 0.001 0.000 0.277 394 V C 0.265 176.261 176.094 -0.164 0.000 1.046 394 V CA -0.009 62.200 62.300 -0.151 0.000 0.986 394 V CB 1.286 32.961 31.823 -0.248 0.000 0.989 394 V HN 0.792 nan 8.190 nan 0.000 0.475 395 M N 6.985 126.473 119.600 -0.187 0.000 2.259 395 M HA 0.565 5.046 4.480 0.001 0.000 0.304 395 M C -1.564 174.634 176.300 -0.169 0.000 1.019 395 M CA -0.593 54.629 55.300 -0.131 0.000 0.922 395 M CB 1.603 34.182 32.600 -0.034 0.000 1.600 395 M HN 0.459 nan 8.290 nan 0.000 0.433 396 I N 8.560 129.048 120.570 -0.137 0.000 2.307 396 I HA 0.325 4.496 4.170 0.001 0.000 0.289 396 I C -1.894 174.172 176.117 -0.086 0.000 1.021 396 I CA -1.459 59.761 61.300 -0.133 0.000 1.224 396 I CB 1.235 39.161 38.000 -0.123 0.000 1.376 396 I HN 0.386 nan 8.210 nan 0.000 0.470 397 P HA 0.153 nan 4.420 nan 0.000 0.252 397 P C 0.474 177.746 177.300 -0.047 0.000 1.727 397 P CA 0.034 63.143 63.100 0.015 0.000 1.134 397 P CB 0.925 32.702 31.700 0.127 0.000 1.876 398 S N 1.939 117.561 115.700 -0.130 0.000 2.359 398 S HA -0.222 4.249 4.470 0.001 0.000 0.223 398 S C 1.519 175.840 174.600 -0.466 0.000 1.039 398 S CA 1.182 59.176 58.200 -0.344 0.000 1.042 398 S CB -1.141 61.814 63.200 -0.408 0.000 0.915 398 S HN 0.456 nan 8.310 nan 0.000 0.439 399 Y N 2.076 122.174 120.300 -0.336 0.000 2.128 399 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 399 Y C 2.359 178.195 175.900 -0.107 0.000 1.154 399 Y CA 1.396 59.352 58.100 -0.241 0.000 1.149 399 Y CB -0.718 37.659 38.460 -0.140 0.000 0.976 399 Y HN 0.227 nan 8.280 nan 0.000 0.505 400 A N -0.072 122.805 122.820 0.094 0.000 1.897 400 A HA -0.105 4.216 4.320 0.001 0.000 0.215 400 A C 2.198 179.823 177.584 0.068 0.000 1.181 400 A CA 1.610 53.707 52.037 0.099 0.000 0.620 400 A CB -1.063 18.039 19.000 0.170 0.000 0.821 400 A HN 0.537 nan 8.150 nan 0.000 0.443 401 L N -1.215 120.035 121.223 0.045 0.000 2.275 401 L HA -0.142 4.199 4.340 0.001 0.000 0.215 401 L C 2.096 179.230 176.870 0.439 0.000 1.119 401 L CA 0.954 55.898 54.840 0.172 0.000 0.790 401 L CB -0.537 41.572 42.059 0.083 0.000 0.919 401 L HN 0.528 nan 8.230 nan 0.000 0.443 402 H N -0.626 118.501 119.070 0.095 0.000 2.556 402 H HA 0.058 4.615 4.556 0.001 0.000 0.268 402 H C 1.198 176.310 175.328 -0.361 0.000 0.996 402 H CA 0.139 56.155 56.048 -0.055 0.000 1.157 402 H CB 0.381 29.977 29.762 -0.276 0.000 1.355 402 H HN 0.246 nan 8.280 nan 0.000 0.597 403 R N 0.326 120.852 120.500 0.043 0.000 2.566 403 R HA 0.030 4.371 4.340 0.001 0.000 0.388 403 R C -0.635 175.801 176.300 0.227 0.000 0.989 403 R CA -0.222 55.872 56.100 -0.009 0.000 1.164 403 R CB 0.849 31.031 30.300 -0.197 0.000 1.459 403 R HN 0.058 nan 8.270 nan 0.000 0.553 404 D N 1.498 122.161 120.400 0.438 0.000 2.343 404 D HA 0.072 4.712 4.640 0.001 0.000 0.255 404 D C -1.588 174.899 176.300 0.312 0.000 1.187 404 D CA -2.266 51.971 54.000 0.394 0.000 0.875 404 D CB 1.537 42.661 40.800 0.539 0.000 1.136 404 D HN -0.143 nan 8.370 nan 0.000 0.469 405 P HA -0.184 nan 4.420 nan 0.000 0.218 405 P C 1.137 178.422 177.300 -0.025 0.000 1.146 405 P CA 1.163 64.302 63.100 0.066 0.000 0.813 405 P CB 0.174 31.879 31.700 0.009 0.000 0.778 406 K N -1.418 118.918 120.400 -0.107 0.000 2.147 406 K HA -0.155 4.166 4.320 0.001 0.000 0.205 406 K C 1.116 177.416 176.600 -0.500 0.000 1.049 406 K CA 1.427 57.500 56.287 -0.357 0.000 0.936 406 K CB -0.166 31.999 32.500 -0.558 0.000 0.722 406 K HN 0.230 nan 8.250 nan 0.000 0.446 407 Y N -2.352 117.833 120.300 -0.192 0.000 2.430 407 Y HA 0.146 4.697 4.550 0.002 0.000 0.254 407 Y C -0.400 175.042 175.900 -0.764 0.000 1.088 407 Y CA -0.806 56.978 58.100 -0.527 0.000 1.267 407 Y CB 0.722 38.760 38.460 -0.703 0.000 1.204 407 Y HN -0.001 nan 8.280 nan 0.000 0.515 408 W N 0.538 121.871 121.300 0.056 0.000 2.830 408 W HA 0.448 5.108 4.660 0.001 0.000 0.335 408 W C -0.389 176.104 176.519 -0.044 0.000 1.043 408 W CA -1.399 55.929 57.345 -0.029 0.000 1.239 408 W CB 0.827 30.259 29.460 -0.048 0.000 1.378 408 W HN -0.293 nan 8.180 nan 0.000 0.456 409 T N -0.885 113.748 114.554 0.132 0.000 2.907 409 T HA 0.269 4.620 4.350 0.001 0.000 0.298 409 T C 0.355 175.097 174.700 0.070 0.000 1.017 409 T CA -0.164 61.975 62.100 0.066 0.000 1.118 409 T CB 0.864 69.742 68.868 0.017 0.000 0.948 409 T HN 0.626 nan 8.240 nan 0.000 0.531 410 E N 2.751 122.979 120.200 0.046 0.000 2.202 410 E HA -0.133 4.218 4.350 0.001 0.000 0.169 410 E C -1.667 174.949 176.600 0.027 0.000 1.536 410 E CA 0.254 56.674 56.400 0.033 0.000 0.664 410 E CB -0.382 29.332 29.700 0.024 0.000 1.064 410 E HN 0.655 nan 8.360 nan 0.000 0.327 411 P HA -0.146 nan 4.420 nan 0.000 0.230 411 P C 0.392 177.630 177.300 -0.103 0.000 1.158 411 P CA 1.060 64.144 63.100 -0.026 0.000 0.769 411 P CB 0.327 32.054 31.700 0.046 0.000 0.807 412 E N -0.704 119.470 120.200 -0.045 0.000 2.299 412 E HA 0.009 4.360 4.350 0.001 0.000 0.193 412 E C 0.771 177.371 176.600 -0.001 0.000 0.998 412 E CA 0.666 57.043 56.400 -0.038 0.000 0.851 412 E CB -0.382 29.319 29.700 0.002 0.000 0.795 412 E HN 0.133 nan 8.360 nan 0.000 0.492 413 K N 0.905 121.316 120.400 0.019 0.000 2.205 413 K HA 0.166 4.487 4.320 0.001 0.000 0.279 413 K C -0.692 175.957 176.600 0.082 0.000 1.027 413 K CA -0.786 55.554 56.287 0.089 0.000 0.932 413 K CB 0.657 33.209 32.500 0.087 0.000 1.032 413 K HN 0.061 nan 8.250 nan 0.000 0.466 414 F N 5.082 125.032 119.950 -0.000 0.000 2.556 414 F HA 0.107 4.635 4.527 0.001 0.000 0.344 414 F C -0.363 175.388 175.800 -0.082 0.000 1.255 414 F CA -0.164 57.762 58.000 -0.123 0.000 1.091 414 F CB -0.279 38.498 39.000 -0.371 0.000 1.325 414 F HN 0.239 nan 8.300 nan 0.000 0.627 415 L N 8.955 129.944 121.223 -0.390 0.000 2.433 415 L HA 0.283 4.623 4.340 0.001 0.000 0.256 415 L C -1.776 174.878 176.870 -0.360 0.000 1.063 415 L CA -1.733 52.934 54.840 -0.289 0.000 0.922 415 L CB 1.119 43.113 42.059 -0.108 0.000 1.238 415 L HN 0.299 nan 8.230 nan 0.000 0.466 416 P HA -0.219 nan 4.420 nan 0.000 0.218 416 P C 1.140 178.373 177.300 -0.111 0.000 1.147 416 P CA 1.209 64.096 63.100 -0.356 0.000 0.827 416 P CB 0.280 31.733 31.700 -0.412 0.000 0.778 417 E N -0.700 119.456 120.200 -0.072 0.000 2.401 417 E HA -0.136 4.215 4.350 0.001 0.000 0.199 417 E C 1.826 178.384 176.600 -0.069 0.000 1.023 417 E CA 0.655 57.044 56.400 -0.019 0.000 0.859 417 E CB -0.342 29.359 29.700 0.002 0.000 0.780 417 E HN 0.434 nan 8.360 nan 0.000 0.523 418 R N -0.385 120.024 120.500 -0.153 0.000 2.152 418 R HA -0.079 4.262 4.340 0.001 0.000 0.232 418 R C 1.331 177.376 176.300 -0.425 0.000 1.117 418 R CA 0.934 56.853 56.100 -0.303 0.000 0.981 418 R CB -0.227 29.801 30.300 -0.454 0.000 0.870 418 R HN 0.101 nan 8.270 nan 0.000 0.451 419 F N 0.866 120.742 119.950 -0.123 0.000 2.641 419 F HA 0.133 4.661 4.527 0.001 0.000 0.302 419 F C 1.097 176.844 175.800 -0.088 0.000 1.098 419 F CA -0.496 57.426 58.000 -0.131 0.000 1.318 419 F CB 0.098 38.985 39.000 -0.188 0.000 1.035 419 F HN -0.102 nan 8.300 nan 0.000 0.551 420 S N -0.387 115.342 115.700 0.048 0.000 2.600 420 S HA 0.082 4.553 4.470 0.001 0.000 0.265 420 S C 1.548 176.160 174.600 0.020 0.000 1.325 420 S CA -0.590 57.635 58.200 0.042 0.000 1.002 420 S CB 1.292 64.511 63.200 0.032 0.000 0.921 420 S HN 0.248 nan 8.310 nan 0.000 0.554 421 K N 1.959 122.372 120.400 0.022 0.000 2.059 421 K HA -0.230 4.090 4.320 0.001 0.000 0.212 421 K C 2.096 178.694 176.600 -0.003 0.000 1.050 421 K CA 2.497 58.791 56.287 0.011 0.000 0.927 421 K CB -0.459 32.048 32.500 0.012 0.000 0.714 421 K HN 0.861 nan 8.250 nan 0.000 0.447 422 K N -1.195 119.200 120.400 -0.008 0.000 2.305 422 K HA 0.033 4.354 4.320 0.001 0.000 0.199 422 K C 0.959 177.538 176.600 -0.035 0.000 1.047 422 K CA 1.264 57.540 56.287 -0.018 0.000 0.976 422 K CB 0.087 32.578 32.500 -0.015 0.000 0.765 422 K HN 0.035 nan 8.250 nan 0.000 0.474 423 N N 1.229 119.903 118.700 -0.044 0.000 2.280 423 N HA -0.024 4.717 4.740 0.001 0.000 0.192 423 N C 1.046 176.494 175.510 -0.103 0.000 1.109 423 N CA 0.413 53.416 53.050 -0.078 0.000 0.855 423 N CB 0.469 38.901 38.487 -0.093 0.000 0.974 423 N HN 0.361 nan 8.380 nan 0.000 0.482 424 K N 1.626 121.987 120.400 -0.064 0.000 1.984 424 K HA -0.110 4.211 4.320 0.001 0.000 0.209 424 K C 0.871 177.433 176.600 -0.064 0.000 1.046 424 K CA 1.560 57.817 56.287 -0.050 0.000 0.934 424 K CB 0.033 32.531 32.500 -0.003 0.000 0.717 424 K HN 0.126 nan 8.250 nan 0.000 0.438 425 D N 0.188 120.558 120.400 -0.051 0.000 2.363 425 D HA -0.116 4.525 4.640 0.001 0.000 0.226 425 D C 0.899 177.161 176.300 -0.062 0.000 1.020 425 D CA 0.501 54.474 54.000 -0.045 0.000 0.892 425 D CB -0.312 40.472 40.800 -0.027 0.000 0.900 425 D HN 0.354 nan 8.370 nan 0.000 0.531 426 N N 1.103 119.748 118.700 -0.092 0.000 2.424 426 N HA -0.044 4.697 4.740 0.001 0.000 0.178 426 N C 0.691 176.107 175.510 -0.157 0.000 1.060 426 N CA -0.120 52.865 53.050 -0.108 0.000 0.901 426 N CB -0.388 38.034 38.487 -0.109 0.000 0.979 426 N HN 0.219 nan 8.380 nan 0.000 0.451 427 I N 1.225 121.677 120.570 -0.197 0.000 2.556 427 I HA 0.014 4.184 4.170 0.001 0.000 0.284 427 I C 0.266 176.279 176.117 -0.173 0.000 1.114 427 I CA -0.297 60.838 61.300 -0.276 0.000 1.418 427 I CB 0.354 38.190 38.000 -0.272 0.000 1.394 427 I HN 0.057 nan 8.210 nan 0.000 0.552 428 D N 9.164 129.440 120.400 -0.207 0.000 2.312 428 D HA 0.115 4.756 4.640 0.001 0.000 0.252 428 D C -1.466 174.776 176.300 -0.097 0.000 1.150 428 D CA -1.715 52.208 54.000 -0.128 0.000 0.870 428 D CB 1.722 42.428 40.800 -0.157 0.000 1.153 428 D HN 0.311 nan 8.370 nan 0.000 0.457 429 P HA -0.106 nan 4.420 nan 0.000 0.234 429 P C 0.432 177.457 177.300 -0.458 0.000 1.167 429 P CA 0.866 63.797 63.100 -0.283 0.000 0.763 429 P CB -0.009 31.416 31.700 -0.458 0.000 0.835 430 Y N -1.797 118.505 120.300 0.003 0.000 2.444 430 Y HA 0.140 4.691 4.550 0.001 0.000 0.249 430 Y C 2.273 178.145 175.900 -0.047 0.000 1.134 430 Y CA -0.380 57.705 58.100 -0.024 0.000 1.261 430 Y CB 0.007 38.437 38.460 -0.049 0.000 1.143 430 Y HN -0.195 nan 8.280 nan 0.000 0.523 431 I N -0.970 119.610 120.570 0.016 0.000 2.494 431 I HA -0.168 4.003 4.170 0.001 0.000 0.250 431 I C 0.370 176.660 176.117 0.289 0.000 1.112 431 I CA 0.633 61.921 61.300 -0.021 0.000 1.438 431 I CB -0.790 36.957 38.000 -0.422 0.000 1.111 431 I HN 0.084 nan 8.210 nan 0.000 0.431 432 Y N 2.913 123.307 120.300 0.156 0.000 2.452 432 Y HA 0.244 4.795 4.550 0.002 0.000 0.348 432 Y C 0.226 176.255 175.900 0.216 0.000 0.985 432 Y CA -0.192 58.044 58.100 0.227 0.000 1.214 432 Y CB 0.448 39.030 38.460 0.203 0.000 1.136 432 Y HN 0.117 nan 8.280 nan 0.000 0.523 433 T N 3.996 118.585 114.554 0.058 0.000 3.866 433 T HA 0.217 4.567 4.350 0.001 0.000 0.241 433 T C -2.416 172.177 174.700 -0.178 0.000 1.017 433 T CA -1.148 60.909 62.100 -0.070 0.000 1.300 433 T CB 0.609 69.475 68.868 -0.003 0.000 0.968 433 T HN 0.463 nan 8.240 nan 0.000 0.595 434 P HA 0.176 nan 4.420 nan 0.000 0.233 434 P C 0.276 177.206 177.300 -0.616 0.000 1.167 434 P CA 0.298 63.122 63.100 -0.459 0.000 0.770 434 P CB -0.186 31.147 31.700 -0.612 0.000 0.837 435 F N -0.646 119.211 119.950 -0.155 0.000 2.688 435 F HA 0.431 4.959 4.527 0.001 0.000 0.310 435 F C 1.675 177.436 175.800 -0.066 0.000 1.098 435 F CA 0.439 58.382 58.000 -0.095 0.000 1.228 435 F CB 0.114 39.066 39.000 -0.081 0.000 1.042 435 F HN 0.017 nan 8.300 nan 0.000 0.557 436 G N 0.866 109.687 108.800 0.036 0.000 2.598 436 G HA2 -0.015 3.946 3.960 0.001 0.000 0.244 436 G HA3 -0.015 3.946 3.960 0.001 0.000 0.244 436 G C -0.339 174.598 174.900 0.062 0.000 1.302 436 G CA -0.180 44.937 45.100 0.028 0.000 0.903 436 G HN 0.605 nan 8.290 nan 0.000 0.575 437 S N -1.545 114.196 115.700 0.068 0.000 2.567 437 S HA 0.792 5.263 4.470 0.001 0.000 0.270 437 S C 0.427 175.085 174.600 0.097 0.000 1.152 437 S CA 1.165 59.420 58.200 0.092 0.000 0.835 437 S CB 0.988 64.274 63.200 0.144 0.000 1.115 437 S HN 3.143 nan 8.310 nan 0.000 0.459 438 G N 3.260 112.127 108.800 0.112 0.000 2.782 438 G HA2 -0.122 3.838 3.960 0.001 0.000 0.228 438 G HA3 -0.122 3.838 3.960 0.001 0.000 0.228 438 G C -2.185 172.770 174.900 0.091 0.000 1.372 438 G CA -0.131 45.021 45.100 0.088 0.000 0.862 438 G HN 0.649 nan 8.290 nan 0.000 0.547 439 P HA -0.092 nan 4.420 nan 0.000 0.218 439 P C 1.494 178.988 177.300 0.323 0.000 1.146 439 P CA 1.733 64.940 63.100 0.179 0.000 0.820 439 P CB 0.040 31.773 31.700 0.056 0.000 0.778 440 R N -0.472 120.141 120.500 0.187 0.000 2.609 440 R HA 0.075 4.416 4.340 0.001 0.000 0.326 440 R C 0.713 177.091 176.300 0.129 0.000 1.090 440 R CA -0.363 55.846 56.100 0.182 0.000 1.072 440 R CB -0.416 29.772 30.300 -0.186 0.000 1.330 440 R HN 0.229 nan 8.270 nan 0.000 0.572 441 N N -0.530 118.257 118.700 0.146 0.000 2.290 441 N HA -0.106 4.635 4.740 0.001 0.000 0.269 441 N C -0.346 175.259 175.510 0.159 0.000 1.295 441 N CA -0.383 52.743 53.050 0.127 0.000 0.932 441 N CB -0.036 38.521 38.487 0.117 0.000 1.128 441 N HN 0.004 nan 8.380 nan 0.000 0.532 442 C N 0.877 120.278 119.300 0.167 0.000 2.667 442 C HA 0.153 4.613 4.460 0.001 0.000 0.392 442 C C 2.268 177.338 174.990 0.133 0.000 1.332 442 C CA -0.661 58.462 59.018 0.176 0.000 1.594 442 C CB -2.364 25.562 27.740 0.310 0.000 2.345 442 C HN 0.665 nan 8.230 nan 0.000 0.594 443 I N 4.359 125.030 120.570 0.167 0.000 2.423 443 I HA -0.045 4.126 4.170 0.001 0.000 0.254 443 I C 1.917 178.124 176.117 0.150 0.000 1.151 443 I CA 1.901 63.333 61.300 0.220 0.000 1.421 443 I CB 0.077 38.279 38.000 0.337 0.000 1.079 443 I HN 0.888 nan 8.210 nan 0.000 0.431 444 G N -0.174 108.597 108.800 -0.048 0.000 3.805 444 G HA2 0.072 4.033 3.960 0.001 0.000 0.290 444 G HA3 0.072 4.033 3.960 0.001 0.000 0.290 444 G C 1.072 175.805 174.900 -0.279 0.000 1.077 444 G CA -0.303 44.566 45.100 -0.385 0.000 0.852 444 G HN 0.281 nan 8.290 nan 0.000 0.531 445 M N 0.331 119.790 119.600 -0.236 0.000 2.065 445 M HA -0.082 4.399 4.480 0.001 0.000 0.259 445 M C 2.590 178.587 176.300 -0.504 0.000 1.071 445 M CA 1.553 56.528 55.300 -0.542 0.000 1.109 445 M CB -0.075 32.072 32.600 -0.755 0.000 1.313 445 M HN 0.196 nan 8.290 nan 0.000 0.408 446 R N -0.773 119.526 120.500 -0.334 0.000 2.115 446 R HA -0.143 4.198 4.340 0.001 0.000 0.230 446 R C 2.155 178.354 176.300 -0.168 0.000 1.111 446 R CA 1.747 57.717 56.100 -0.217 0.000 0.976 446 R CB -0.642 29.612 30.300 -0.076 0.000 0.870 446 R HN 0.523 nan 8.270 nan 0.000 0.445 447 F N 1.340 121.035 119.950 -0.424 0.000 2.186 447 F HA -0.108 4.421 4.527 0.002 0.000 0.299 447 F C 2.220 177.858 175.800 -0.270 0.000 1.090 447 F CA 1.248 59.001 58.000 -0.412 0.000 1.307 447 F CB -0.092 38.361 39.000 -0.912 0.000 1.019 447 F HN -0.055 nan 8.300 nan 0.000 0.489 448 A N 0.979 123.549 122.820 -0.416 0.000 1.873 448 A HA -0.086 4.235 4.320 0.001 0.000 0.215 448 A C 2.186 179.596 177.584 -0.289 0.000 1.186 448 A CA 1.695 53.513 52.037 -0.366 0.000 0.616 448 A CB -1.172 17.788 19.000 -0.067 0.000 0.823 448 A HN 0.486 nan 8.150 nan 0.000 0.442 449 L N -1.218 119.862 121.223 -0.239 0.000 2.042 449 L HA -0.217 4.123 4.340 0.001 0.000 0.210 449 L C 2.833 179.586 176.870 -0.195 0.000 1.076 449 L CA 1.849 56.577 54.840 -0.186 0.000 0.749 449 L CB -0.456 41.481 42.059 -0.205 0.000 0.893 449 L HN 0.508 nan 8.230 nan 0.000 0.432 450 M N -0.205 119.266 119.600 -0.215 0.000 2.066 450 M HA -0.256 4.225 4.480 0.001 0.000 0.259 450 M C 2.272 178.465 176.300 -0.178 0.000 1.074 450 M CA 1.998 57.200 55.300 -0.163 0.000 1.114 450 M CB -0.410 32.145 32.600 -0.074 0.000 1.306 450 M HN 0.328 nan 8.290 nan 0.000 0.411 451 N N -0.088 118.411 118.700 -0.335 0.000 2.060 451 N HA -0.236 4.505 4.740 0.001 0.000 0.195 451 N C 1.740 177.187 175.510 -0.104 0.000 1.028 451 N CA 1.984 54.872 53.050 -0.270 0.000 0.861 451 N CB -0.098 38.006 38.487 -0.638 0.000 1.029 451 N HN 0.408 nan 8.380 nan 0.000 0.428 452 M N 0.581 120.072 119.600 -0.181 0.000 2.108 452 M HA -0.166 4.315 4.480 0.001 0.000 0.261 452 M C 2.111 178.324 176.300 -0.145 0.000 1.066 452 M CA 1.590 56.791 55.300 -0.164 0.000 1.107 452 M CB -0.168 32.324 32.600 -0.179 0.000 1.356 452 M HN 0.101 nan 8.290 nan 0.000 0.406 453 K N 0.094 120.421 120.400 -0.122 0.000 2.025 453 K HA -0.131 4.190 4.320 0.001 0.000 0.207 453 K C 1.839 178.408 176.600 -0.053 0.000 1.049 453 K CA 1.062 57.292 56.287 -0.095 0.000 0.933 453 K CB -0.203 32.238 32.500 -0.098 0.000 0.714 453 K HN 0.087 nan 8.250 nan 0.000 0.438 454 L N 1.039 122.251 121.223 -0.019 0.000 2.013 454 L HA -0.228 4.113 4.340 0.001 0.000 0.212 454 L C 2.387 179.286 176.870 0.048 0.000 1.073 454 L CA 2.003 56.871 54.840 0.046 0.000 0.753 454 L CB -1.084 41.039 42.059 0.106 0.000 0.890 454 L HN 0.184 nan 8.230 nan 0.000 0.432 455 A N -1.052 121.768 122.820 0.000 0.000 1.865 455 A HA -0.203 4.118 4.320 0.001 0.000 0.217 455 A C 2.207 179.732 177.584 -0.100 0.000 1.191 455 A CA 1.707 53.620 52.037 -0.207 0.000 0.623 455 A CB -0.824 17.859 19.000 -0.529 0.000 0.826 455 A HN 0.295 nan 8.150 nan 0.000 0.444 456 L N -0.218 120.940 121.223 -0.109 0.000 1.970 456 L HA -0.179 4.162 4.340 0.001 0.000 0.212 456 L C 2.505 179.375 176.870 0.001 0.000 1.071 456 L CA 1.777 56.571 54.840 -0.077 0.000 0.751 456 L CB -1.122 40.867 42.059 -0.115 0.000 0.889 456 L HN 0.439 nan 8.230 nan 0.000 0.432 457 I N -0.908 119.665 120.570 0.005 0.000 2.145 457 I HA -0.366 3.805 4.170 0.001 0.000 0.244 457 I C 2.475 178.630 176.117 0.062 0.000 1.075 457 I CA 1.166 62.485 61.300 0.032 0.000 1.332 457 I CB -0.336 37.679 38.000 0.026 0.000 1.033 457 I HN 0.266 nan 8.210 nan 0.000 0.410 458 R N 0.105 120.650 120.500 0.075 0.000 2.189 458 R HA -0.033 4.307 4.340 0.001 0.000 0.223 458 R C 2.101 178.501 176.300 0.166 0.000 1.092 458 R CA 0.809 56.973 56.100 0.106 0.000 0.989 458 R CB -0.751 29.621 30.300 0.120 0.000 0.876 458 R HN 0.310 nan 8.270 nan 0.000 0.457 459 V N 0.513 120.537 119.914 0.185 0.000 2.374 459 V HA -0.112 4.009 4.120 0.001 0.000 0.241 459 V C 2.123 178.428 176.094 0.353 0.000 1.034 459 V CA 0.945 63.445 62.300 0.334 0.000 1.037 459 V CB -0.201 31.779 31.823 0.262 0.000 0.682 459 V HN 0.084 nan 8.190 nan 0.000 0.463 460 L N 0.898 122.242 121.223 0.202 0.000 2.141 460 L HA -0.151 4.190 4.340 0.001 0.000 0.209 460 L C 2.608 179.550 176.870 0.120 0.000 1.094 460 L CA 1.988 56.933 54.840 0.175 0.000 0.763 460 L CB -1.594 40.530 42.059 0.108 0.000 0.908 460 L HN 0.635 nan 8.230 nan 0.000 0.437 461 Q N -1.504 118.343 119.800 0.079 0.000 2.369 461 Q HA -0.119 4.222 4.340 0.001 0.000 0.206 461 Q C 1.261 177.233 176.000 -0.046 0.000 0.963 461 Q CA 1.148 56.964 55.803 0.022 0.000 0.894 461 Q CB -0.093 28.656 28.738 0.018 0.000 0.965 461 Q HN 0.459 nan 8.270 nan 0.000 0.475 462 N N -1.085 117.565 118.700 -0.084 0.000 2.407 462 N HA 0.204 4.945 4.740 0.001 0.000 0.182 462 N C -0.620 174.492 175.510 -0.665 0.000 1.079 462 N CA 0.373 53.167 53.050 -0.427 0.000 0.882 462 N CB 0.648 38.773 38.487 -0.604 0.000 1.106 462 N HN 0.078 nan 8.380 nan 0.000 0.461 463 F N -0.467 119.536 119.950 0.088 0.000 2.692 463 F HA 0.489 5.016 4.527 0.001 0.000 0.320 463 F C -0.065 175.824 175.800 0.148 0.000 1.123 463 F CA -0.759 57.292 58.000 0.086 0.000 0.961 463 F CB 1.767 40.824 39.000 0.096 0.000 1.383 463 F HN -0.444 nan 8.300 nan 0.000 0.483 464 S N 0.121 116.023 115.700 0.337 0.000 2.546 464 S HA 0.704 5.175 4.470 0.001 0.000 0.274 464 S C -1.712 173.015 174.600 0.211 0.000 1.121 464 S CA -0.643 57.744 58.200 0.311 0.000 0.887 464 S CB 1.298 64.599 63.200 0.167 0.000 1.094 464 S HN 0.389 nan 8.310 nan 0.000 0.474 465 F N 2.285 122.271 119.950 0.060 0.000 2.482 465 F HA 0.549 5.077 4.527 0.002 0.000 0.331 465 F C 0.374 176.178 175.800 0.007 0.000 1.115 465 F CA -0.866 57.149 58.000 0.026 0.000 0.955 465 F CB 1.423 40.435 39.000 0.019 0.000 1.136 465 F HN 0.082 nan 8.300 nan 0.000 0.452 466 K N 4.254 124.713 120.400 0.099 0.000 2.324 466 K HA 0.442 4.763 4.320 0.001 0.000 0.253 466 K C -2.815 173.809 176.600 0.040 0.000 0.932 466 K CA -2.246 54.072 56.287 0.051 0.000 0.799 466 K CB 1.972 34.480 32.500 0.014 0.000 1.154 466 K HN 0.202 nan 8.250 nan 0.000 0.425 467 P HA 0.063 nan 4.420 nan 0.000 0.269 467 P C 0.135 177.445 177.300 0.016 0.000 1.215 467 P CA -0.240 62.871 63.100 0.018 0.000 0.780 467 P CB 0.632 32.329 31.700 -0.005 0.000 0.898 468 C N 1.226 120.539 119.300 0.022 0.000 3.922 468 C HA 0.504 4.964 4.460 0.001 0.000 0.322 468 C C 1.873 176.873 174.990 0.017 0.000 4.831 468 C CA -0.231 58.795 59.018 0.013 0.000 1.558 468 C CB 0.147 27.889 27.740 0.004 0.000 5.557 468 C HN 0.351 nan 8.230 nan 0.000 0.519 469 K N 0.747 121.154 120.400 0.012 0.000 1.980 469 K HA 0.016 4.337 4.320 0.001 0.000 0.208 469 K C 1.941 178.552 176.600 0.018 0.000 1.043 469 K CA 2.255 58.550 56.287 0.013 0.000 0.938 469 K CB -0.529 31.975 32.500 0.007 0.000 0.724 469 K HN 0.792 nan 8.250 nan 0.000 0.438 470 E N -0.019 120.191 120.200 0.016 0.000 2.418 470 E HA -0.034 4.317 4.350 0.001 0.000 0.197 470 E C -0.595 176.022 176.600 0.029 0.000 1.026 470 E CA 0.454 56.864 56.400 0.018 0.000 0.862 470 E CB -0.170 29.536 29.700 0.010 0.000 0.799 470 E HN 0.089 nan 8.360 nan 0.000 0.518 471 T N 2.137 116.717 114.554 0.043 0.000 2.751 471 T HA -0.070 4.280 4.350 0.001 0.000 0.279 471 T C -0.127 174.627 174.700 0.090 0.000 0.941 471 T CA 0.035 62.180 62.100 0.074 0.000 1.192 471 T CB 0.362 69.281 68.868 0.085 0.000 0.883 471 T HN 0.237 nan 8.240 nan 0.000 0.534 472 Q N 4.244 124.091 119.800 0.079 0.000 2.301 472 Q HA 0.228 4.569 4.340 0.001 0.000 0.262 472 Q C -0.837 175.240 176.000 0.130 0.000 1.168 472 Q CA 0.216 56.059 55.803 0.066 0.000 0.908 472 Q CB -0.136 28.609 28.738 0.012 0.000 1.348 472 Q HN 0.633 nan 8.270 nan 0.000 0.441 473 I N 6.622 127.272 120.570 0.133 0.000 2.499 473 I HA 0.391 4.562 4.170 0.001 0.000 0.288 473 I C -1.746 174.439 176.117 0.114 0.000 1.048 473 I CA -2.111 59.295 61.300 0.176 0.000 1.062 473 I CB 1.567 39.666 38.000 0.165 0.000 1.238 473 I HN 0.631 nan 8.210 nan 0.000 0.426 474 P HA 0.217 nan 4.420 nan 0.000 0.272 474 P C -0.694 176.669 177.300 0.105 0.000 1.240 474 P CA -0.545 62.650 63.100 0.159 0.000 0.791 474 P CB 1.212 32.991 31.700 0.130 0.000 0.978 475 L N 1.212 122.473 121.223 0.063 0.000 2.367 475 L HA 0.170 4.510 4.340 0.001 0.000 0.275 475 L C 0.510 177.383 176.870 0.004 0.000 1.129 475 L CA -0.119 54.659 54.840 -0.103 0.000 0.839 475 L CB 0.315 42.109 42.059 -0.442 0.000 1.133 475 L HN 0.435 nan 8.230 nan 0.000 0.453 476 K N 4.905 125.302 120.400 -0.004 0.000 2.244 476 K HA 0.500 4.821 4.320 0.001 0.000 0.260 476 K C -1.250 175.371 176.600 0.034 0.000 0.951 476 K CA -0.728 55.575 56.287 0.027 0.000 0.826 476 K CB 1.910 34.422 32.500 0.021 0.000 1.108 476 K HN 0.325 nan 8.250 nan 0.000 0.433 477 L N 1.679 122.935 121.223 0.055 0.000 2.325 477 L HA 0.334 4.675 4.340 0.001 0.000 0.279 477 L C 0.457 177.352 176.870 0.041 0.000 1.054 477 L CA -0.529 54.352 54.840 0.068 0.000 0.804 477 L CB 1.364 43.469 42.059 0.077 0.000 1.200 477 L HN 0.566 nan 8.230 nan 0.000 0.436 478 S N 2.104 117.834 115.700 0.050 0.000 2.565 478 S HA 0.526 4.997 4.470 0.001 0.000 0.276 478 S C -0.030 174.597 174.600 0.046 0.000 1.326 478 S CA -0.812 57.417 58.200 0.048 0.000 1.045 478 S CB 0.261 63.498 63.200 0.061 0.000 0.918 478 S HN 0.481 nan 8.310 nan 0.000 0.505 479 L N 3.502 124.751 121.223 0.043 0.000 2.462 479 L HA 0.517 4.858 4.340 0.001 0.000 0.283 479 L C 0.941 177.844 176.870 0.055 0.000 1.166 479 L CA -0.233 54.630 54.840 0.038 0.000 0.964 479 L CB -1.192 40.875 42.059 0.015 0.000 1.294 479 L HN 0.959 nan 8.230 nan 0.000 0.449 480 G N 0.752 109.582 108.800 0.050 0.000 2.975 480 G HA2 0.498 4.459 3.960 0.001 0.000 0.291 480 G HA3 0.498 4.459 3.960 0.001 0.000 0.291 480 G C 0.543 175.322 174.900 -0.203 0.000 1.334 480 G CA -0.001 45.090 45.100 -0.015 0.000 0.843 480 G HN 0.351 nan 8.290 nan 0.000 0.548 481 G N -1.170 107.382 108.800 -0.413 0.000 2.426 481 G HA2 0.267 4.228 3.960 0.001 0.000 0.214 481 G HA3 0.267 4.228 3.960 0.001 0.000 0.214 481 G C 0.553 175.244 174.900 -0.348 0.000 1.156 481 G CA 0.356 45.125 45.100 -0.553 0.000 0.802 481 G HN 0.405 nan 8.290 nan 0.000 0.534 482 L N 0.562 121.715 121.223 -0.116 0.000 2.346 482 L HA 0.460 4.801 4.340 0.001 0.000 0.274 482 L C -0.721 176.132 176.870 -0.027 0.000 1.007 482 L CA -1.248 53.546 54.840 -0.078 0.000 0.818 482 L CB 2.295 44.364 42.059 0.015 0.000 1.284 482 L HN -0.096 nan 8.230 nan 0.000 0.424 483 L N 3.055 124.253 121.223 -0.042 0.000 2.584 483 L HA 0.105 4.446 4.340 0.001 0.000 0.272 483 L C -0.108 176.843 176.870 0.134 0.000 1.195 483 L CA 1.265 56.110 54.840 0.009 0.000 0.920 483 L CB -0.093 41.945 42.059 -0.035 0.000 1.173 483 L HN 0.648 nan 8.230 nan 0.000 0.489 484 Q N 6.089 125.994 119.800 0.176 0.000 2.426 484 Q HA 0.477 4.818 4.340 0.001 0.000 0.278 484 Q C -2.776 173.323 176.000 0.165 0.000 1.007 484 Q CA -1.675 54.252 55.803 0.205 0.000 0.850 484 Q CB 2.923 31.721 28.738 0.100 0.000 1.427 484 Q HN 0.314 nan 8.270 nan 0.000 0.391 485 P HA 0.097 nan 4.420 nan 0.000 0.290 485 P C -1.039 176.251 177.300 -0.016 0.000 1.276 485 P CA -0.244 62.865 63.100 0.015 0.000 0.808 485 P CB 0.977 32.600 31.700 -0.128 0.000 0.966 486 E N 4.122 124.325 120.200 0.006 0.000 2.316 486 E HA 0.059 4.410 4.350 0.001 0.000 0.275 486 E C -0.739 175.852 176.600 -0.016 0.000 1.029 486 E CA -0.141 56.262 56.400 0.005 0.000 0.871 486 E CB 0.164 29.876 29.700 0.021 0.000 1.022 486 E HN 0.359 nan 8.360 nan 0.000 0.418 487 K N 2.799 123.189 120.400 -0.016 0.000 6.399 487 K HA -0.081 4.239 4.320 0.001 0.000 0.786 487 K C -2.540 174.026 176.600 -0.056 0.000 1.948 487 K CA 0.115 56.387 56.287 -0.025 0.000 1.668 487 K CB -0.815 31.674 32.500 -0.017 0.000 2.091 487 K HN 0.551 nan 8.250 nan 0.000 0.304 488 P HA -0.065 nan 4.420 nan 0.000 0.264 488 P C -0.273 176.973 177.300 -0.089 0.000 1.179 488 P CA -0.296 62.754 63.100 -0.084 0.000 0.763 488 P CB 0.535 32.204 31.700 -0.052 0.000 0.806 489 V N 4.667 124.498 119.914 -0.139 0.000 2.479 489 V HA 0.058 4.179 4.120 0.001 0.000 0.281 489 V C 0.504 176.579 176.094 -0.031 0.000 1.031 489 V CA 0.361 62.597 62.300 -0.106 0.000 1.038 489 V CB 0.662 32.374 31.823 -0.185 0.000 0.981 489 V HN 0.222 nan 8.190 nan 0.000 0.478 490 V N 7.306 127.224 119.914 0.008 0.000 2.540 490 V HA 0.590 4.710 4.120 0.001 0.000 0.302 490 V C -0.165 175.962 176.094 0.055 0.000 1.035 490 V CA -0.428 61.886 62.300 0.024 0.000 0.873 490 V CB 1.765 33.593 31.823 0.008 0.000 0.992 490 V HN 0.659 nan 8.190 nan 0.000 0.428 491 L N 3.312 124.577 121.223 0.070 0.000 2.341 491 L HA 0.657 4.998 4.340 0.001 0.000 0.254 491 L C -0.525 176.352 176.870 0.011 0.000 1.040 491 L CA -0.970 53.921 54.840 0.086 0.000 0.837 491 L CB 2.769 44.954 42.059 0.209 0.000 1.425 491 L HN 0.455 nan 8.230 nan 0.000 0.414 492 K N 0.354 120.740 120.400 -0.023 0.000 2.182 492 K HA 0.646 4.967 4.320 0.001 0.000 0.262 492 K C -1.412 175.039 176.600 -0.248 0.000 0.957 492 K CA -0.538 55.682 56.287 -0.110 0.000 0.842 492 K CB 2.057 34.517 32.500 -0.068 0.000 1.099 492 K HN 0.204 nan 8.250 nan 0.000 0.438 493 V N 2.690 122.375 119.914 -0.382 0.000 2.417 493 V HA 0.345 4.466 4.120 0.001 0.000 0.291 493 V C -0.454 175.470 176.094 -0.283 0.000 1.024 493 V CA -0.843 61.081 62.300 -0.626 0.000 0.861 493 V CB 1.475 32.710 31.823 -0.980 0.000 0.985 493 V HN 0.753 nan 8.190 nan 0.000 0.436 494 E N 1.921 122.027 120.200 -0.157 0.000 2.212 494 E HA 0.564 4.915 4.350 0.001 0.000 0.268 494 E C -0.577 176.090 176.600 0.112 0.000 0.902 494 E CA -0.541 55.854 56.400 -0.008 0.000 0.779 494 E CB 2.220 31.914 29.700 -0.010 0.000 1.172 494 E HN 0.698 nan 8.360 nan 0.000 0.409 495 S N 1.377 117.139 115.700 0.102 0.000 2.626 495 S HA 0.347 4.818 4.470 0.001 0.000 0.257 495 S C 0.254 174.846 174.600 -0.013 0.000 1.288 495 S CA -0.401 57.819 58.200 0.033 0.000 0.980 495 S CB 0.610 63.802 63.200 -0.014 0.000 0.975 495 S HN 0.341 nan 8.310 nan 0.000 0.577 496 R N 0.000 120.457 120.500 -0.072 0.000 2.786 496 R HA 0.000 4.341 4.340 0.001 0.000 0.208 496 R CA 0.000 56.072 56.100 -0.046 0.000 0.921 496 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 496 R HN 0.000 nan 8.270 nan 0.000 0.535