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 1ek1_1_A DATA FIRST_RESID 4 DATA SEQUENCE RVAAFDLDGV LALPSIXXXX XXXXXXXXXX XXXXXXXXXX XXXXGPTEQL DATA SEQUENCE MKGKITFSQW VPLXXXXXXX XXXXXXXXXX XXXXXXQIFS QAMAARSINR DATA SEQUENCE PMLQAAIALK KKGFTTCIVT NNWLDDGDKR DSLAQMMCEL SQHFDFLIES DATA SEQUENCE CQVGMIKPEP QIYNFLLDTL KAKPNEVVFL DDFGSNLKPA RDMGMVTILV DATA SEQUENCE HNTASALREL EKVTGTQFPE APLPVPCNPN DVSHGYVTVK PGIRLHFVEM DATA SEQUENCE GSGPALCLCH GFPESWFSWR YQIPALAQAG FRVLAIDMKG YGDSSSPPEI DATA SEQUENCE EEYAMELLCK EMVTFLDKLG IPQAVFIGHD WAGVMVWNMA LFYPERVRAV DATA SEQUENCE ASLNTPFMPP DPDVSPMKVI RSIPVFNYQL YFQEPGVAEA ELEKNMSRTF DATA SEQUENCE KSFFRASDET GFIAVHKATE IGGILVNTPE DPNLSKITTE EEIEFYIQQF DATA SEQUENCE KKTGFRGPLN WYRNTERNWK WSCKGLGRKI LVPALMVTAE KDIVLRPEMS DATA SEQUENCE KNMEKWIPFL KRGHIEDCGH WTQIEKPTEV NQILIKWLQT E 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.165 176.300 -0.225 0.000 0.893 4 R CA 0.000 55.939 56.100 -0.269 0.000 0.921 4 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 5 V N -0.322 119.644 119.914 0.086 0.000 3.040 5 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 5 V C -0.802 175.463 176.094 0.286 0.000 1.115 5 V CA -0.641 61.796 62.300 0.228 0.000 0.998 5 V CB 1.857 33.749 31.823 0.115 0.000 1.042 5 V HN 0.956 nan 8.190 nan 0.000 0.433 6 A N 1.677 124.620 122.820 0.205 0.000 2.393 6 A HA 1.006 5.326 4.320 -0.000 0.000 0.306 6 A C -0.505 176.851 177.584 -0.380 0.000 1.050 6 A CA -0.163 51.853 52.037 -0.034 0.000 0.724 6 A CB 1.703 20.686 19.000 -0.029 0.000 1.248 6 A HN 1.656 nan 8.150 nan 0.000 0.424 7 A N 1.296 123.805 122.820 -0.517 0.000 2.498 7 A HA 0.975 5.295 4.320 -0.000 0.000 0.298 7 A C -1.116 176.156 177.584 -0.521 0.000 1.075 7 A CA -0.510 51.142 52.037 -0.640 0.000 0.714 7 A CB 0.878 19.640 19.000 -0.397 0.000 1.299 7 A HN 1.166 nan 8.150 nan 0.000 0.407 8 F N 0.163 120.304 119.950 0.318 0.000 2.643 8 F HA 0.616 5.143 4.527 -0.000 0.000 0.314 8 F C -0.235 175.762 175.800 0.328 0.000 1.096 8 F CA -0.904 57.300 58.000 0.338 0.000 0.953 8 F CB 1.408 40.498 39.000 0.149 0.000 1.345 8 F HN 0.610 nan 8.300 nan 0.000 0.468 9 D N 0.365 121.038 120.400 0.456 0.000 2.326 9 D HA 0.272 4.911 4.640 -0.000 0.000 0.248 9 D C -0.181 176.203 176.300 0.139 0.000 1.001 9 D CA -0.355 53.817 54.000 0.287 0.000 0.961 9 D CB 2.384 43.334 40.800 0.249 0.000 1.183 9 D HN 0.633 nan 8.370 nan 0.000 0.502 10 L N 1.631 122.892 121.223 0.065 0.000 2.357 10 L HA 0.086 4.426 4.340 -0.000 0.000 0.211 10 L C 1.474 178.349 176.870 0.008 0.000 1.075 10 L CA 0.782 55.622 54.840 0.000 0.000 0.830 10 L CB -0.408 41.615 42.059 -0.059 0.000 0.996 10 L HN 0.375 nan 8.230 nan 0.000 0.467 11 D N 0.854 121.286 120.400 0.052 0.000 2.640 11 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 11 D C 1.470 177.782 176.300 0.020 0.000 1.063 11 D CA 1.913 55.967 54.000 0.091 0.000 0.923 11 D CB -0.153 40.789 40.800 0.237 0.000 0.883 11 D HN 0.601 nan 8.370 nan 0.000 0.463 12 G N -2.352 106.439 108.800 -0.016 0.000 4.496 12 G HA2 0.066 4.026 3.960 -0.000 0.000 0.211 12 G HA3 0.066 4.026 3.960 -0.000 0.000 0.211 12 G C 0.828 175.698 174.900 -0.049 0.000 0.831 12 G CA 0.109 45.175 45.100 -0.057 0.000 0.815 12 G HN 0.230 nan 8.290 nan 0.000 0.528 13 V N 0.170 120.073 119.914 -0.019 0.000 3.307 13 V HA 0.360 4.480 4.120 -0.000 0.000 0.253 13 V C 1.737 177.806 176.094 -0.041 0.000 1.149 13 V CA 1.098 63.392 62.300 -0.011 0.000 1.112 13 V CB 0.644 32.497 31.823 0.050 0.000 0.777 13 V HN 0.245 nan 8.190 nan 0.000 0.464 14 L N -0.231 120.965 121.223 -0.044 0.000 3.016 14 L HA 0.702 5.041 4.340 -0.000 0.000 0.267 14 L C 0.137 176.973 176.870 -0.057 0.000 1.182 14 L CA 0.477 55.269 54.840 -0.079 0.000 0.997 14 L CB 0.822 42.824 42.059 -0.095 0.000 1.354 14 L HN 0.238 nan 8.230 nan 0.000 0.569 15 A N 0.085 122.877 122.820 -0.047 0.000 2.594 15 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 15 A C -1.824 175.737 177.584 -0.037 0.000 1.061 15 A CA -0.482 51.532 52.037 -0.040 0.000 0.689 15 A CB 1.517 20.492 19.000 -0.041 0.000 1.280 15 A HN 0.018 nan 8.150 nan 0.000 0.406 16 L N -2.424 118.781 121.223 -0.031 0.000 3.140 16 L HA 0.683 5.023 4.340 -0.000 0.000 0.297 16 L C -3.018 173.841 176.870 -0.019 0.000 0.958 16 L CA -1.889 52.933 54.840 -0.030 0.000 1.030 16 L CB -0.501 41.532 42.059 -0.044 0.000 1.612 16 L HN 0.386 nan 8.230 nan 0.000 0.363 17 P HA 0.034 nan 4.420 nan 0.000 0.266 17 P C 0.317 177.598 177.300 -0.033 0.000 1.186 17 P CA 0.395 63.478 63.100 -0.028 0.000 0.767 17 P CB 0.448 32.136 31.700 -0.019 0.000 0.820 18 S N 1.237 116.902 115.700 -0.057 0.000 2.870 18 S HA 0.137 4.607 4.470 -0.000 0.000 0.251 18 S C 0.792 175.365 174.600 -0.045 0.000 1.430 18 S CA 0.066 58.224 58.200 -0.069 0.000 1.033 18 S CB -0.158 62.964 63.200 -0.130 0.000 0.858 18 S HN 0.312 nan 8.310 nan 0.000 0.505 49 P HA 0.170 nan 4.420 nan 0.000 0.231 49 P C 1.527 179.067 177.300 0.399 0.000 1.168 49 P CA 1.627 64.854 63.100 0.212 0.000 0.779 49 P CB 0.175 31.979 31.700 0.173 0.000 0.844 50 T N -0.055 114.778 114.554 0.466 0.000 2.894 50 T HA -0.107 4.242 4.350 -0.000 0.000 0.258 50 T C 1.679 176.487 174.700 0.180 0.000 1.043 50 T CA 0.936 63.376 62.100 0.567 0.000 1.141 50 T CB -0.553 68.629 68.868 0.524 0.000 0.873 50 T HN 0.300 nan 8.240 nan 0.000 0.449 51 E N 1.775 122.054 120.200 0.132 0.000 2.204 51 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 51 E C 1.746 178.376 176.600 0.051 0.000 0.990 51 E CA 1.365 57.807 56.400 0.071 0.000 0.821 51 E CB 0.013 29.743 29.700 0.051 0.000 0.750 51 E HN 0.619 nan 8.360 nan 0.000 0.477 52 Q N 0.240 120.073 119.800 0.055 0.000 2.246 52 Q HA 0.072 4.411 4.340 -0.000 0.000 0.222 52 Q C 1.830 177.843 176.000 0.021 0.000 0.851 52 Q CA 0.208 56.031 55.803 0.034 0.000 0.945 52 Q CB -0.283 28.475 28.738 0.034 0.000 1.122 52 Q HN 0.264 nan 8.270 nan 0.000 0.508 53 L N -2.212 119.009 121.223 -0.004 0.000 2.465 53 L HA 0.242 4.582 4.340 -0.000 0.000 0.224 53 L C 1.687 178.556 176.870 -0.002 0.000 1.145 53 L CA 1.357 56.162 54.840 -0.059 0.000 0.834 53 L CB -1.158 40.736 42.059 -0.274 0.000 0.944 53 L HN 0.214 nan 8.230 nan 0.000 0.451 54 M N -0.012 119.605 119.600 0.029 0.000 2.200 54 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 54 M C 2.025 178.356 176.300 0.052 0.000 1.066 54 M CA 1.548 56.904 55.300 0.094 0.000 1.127 54 M CB -0.037 32.614 32.600 0.085 0.000 1.379 54 M HN 0.281 nan 8.290 nan 0.000 0.420 55 K N -0.448 119.965 120.400 0.022 0.000 2.365 55 K HA 0.019 4.339 4.320 -0.000 0.000 0.199 55 K C 1.055 177.653 176.600 -0.003 0.000 1.045 55 K CA 0.892 57.178 56.287 -0.002 0.000 0.962 55 K CB 0.005 32.504 32.500 -0.002 0.000 0.759 55 K HN 0.561 nan 8.250 nan 0.000 0.469 56 G N 1.122 109.930 108.800 0.014 0.000 2.148 56 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.203 56 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.203 56 G C 0.562 175.470 174.900 0.013 0.000 0.993 56 G CA 0.151 45.260 45.100 0.015 0.000 0.661 56 G HN 0.218 nan 8.290 nan 0.000 0.518 57 K N -0.290 120.118 120.400 0.013 0.000 2.418 57 K HA 0.403 4.723 4.320 -0.000 0.000 0.195 57 K C 0.936 177.548 176.600 0.020 0.000 1.035 57 K CA 1.072 57.368 56.287 0.015 0.000 1.003 57 K CB 0.059 32.569 32.500 0.016 0.000 0.793 57 K HN 0.724 nan 8.250 nan 0.000 0.494 58 I N -2.712 117.867 120.570 0.016 0.000 3.006 58 I HA 0.239 4.408 4.170 -0.000 0.000 0.306 58 I C 0.259 176.378 176.117 0.003 0.000 1.250 58 I CA -1.265 60.046 61.300 0.018 0.000 0.996 58 I CB 1.890 39.908 38.000 0.031 0.000 1.261 58 I HN -0.198 nan 8.210 nan 0.000 0.442 59 T N -0.461 114.108 114.554 0.025 0.000 2.914 59 T HA 0.362 4.711 4.350 -0.000 0.000 0.313 59 T C 0.534 175.231 174.700 -0.006 0.000 1.137 59 T CA 0.276 62.408 62.100 0.053 0.000 0.946 59 T CB 0.739 69.659 68.868 0.088 0.000 1.558 59 T HN 0.549 nan 8.240 nan 0.000 0.565 60 F N 0.515 120.407 119.950 -0.096 0.000 2.148 60 F HA 0.149 4.676 4.527 -0.000 0.000 0.285 60 F C 2.982 178.815 175.800 0.055 0.000 1.092 60 F CA 1.669 59.553 58.000 -0.195 0.000 1.218 60 F CB -0.806 38.104 39.000 -0.151 0.000 1.059 60 F HN 0.585 nan 8.300 nan 0.000 0.490 61 S N 0.099 115.920 115.700 0.201 0.000 2.368 61 S HA -0.306 4.164 4.470 -0.000 0.000 0.226 61 S C 1.037 175.686 174.600 0.081 0.000 1.044 61 S CA 1.539 59.818 58.200 0.131 0.000 1.062 61 S CB -1.163 62.114 63.200 0.127 0.000 0.931 61 S HN 0.595 nan 8.310 nan 0.000 0.440 62 Q N -0.462 119.390 119.800 0.086 0.000 2.641 62 Q HA 0.232 4.572 4.340 -0.000 0.000 0.225 62 Q C -0.785 175.310 176.000 0.159 0.000 1.309 62 Q CA -0.186 55.666 55.803 0.082 0.000 0.935 62 Q CB -0.745 28.030 28.738 0.062 0.000 1.557 62 Q HN 0.613 nan 8.270 nan 0.000 0.563 63 W N 2.685 123.893 121.300 -0.154 0.000 1.210 63 W HA 0.086 4.746 4.660 -0.000 0.000 0.328 63 W C -2.122 174.247 176.519 -0.251 0.000 1.016 63 W CA -0.701 56.522 57.345 -0.204 0.000 0.771 63 W CB -0.288 29.006 29.460 -0.277 0.000 0.712 63 W HN 0.269 nan 8.180 nan 0.000 0.373 64 V N 6.739 126.533 119.914 -0.200 0.000 2.592 64 V HA 0.501 4.620 4.120 -0.000 0.000 0.278 64 V C -1.427 174.479 176.094 -0.314 0.000 1.087 64 V CA -0.536 61.587 62.300 -0.294 0.000 1.282 64 V CB -0.395 31.339 31.823 -0.147 0.000 1.543 64 V HN 0.366 nan 8.190 nan 0.000 0.606 65 P HA 0.443 nan 4.420 nan 0.000 0.308 65 P C 0.836 177.907 177.300 -0.382 0.000 1.329 65 P CA -0.536 62.358 63.100 -0.344 0.000 0.825 65 P CB -0.003 31.507 31.700 -0.317 0.000 2.072 91 I N 3.524 124.172 120.570 0.129 0.000 3.864 91 I HA -0.108 4.062 4.170 -0.000 0.000 0.286 91 I C 0.119 176.421 176.117 0.309 0.000 1.074 91 I CA 1.457 62.856 61.300 0.165 0.000 2.415 91 I CB -0.974 37.096 38.000 0.115 0.000 1.582 91 I HN 0.507 nan 8.210 nan 0.000 0.949 92 F N 0.425 120.473 119.950 0.163 0.000 3.250 92 F HA 0.167 4.693 4.527 -0.000 0.000 0.380 92 F C 1.220 177.109 175.800 0.149 0.000 1.184 92 F CA -0.230 57.866 58.000 0.160 0.000 0.890 92 F CB -0.589 38.528 39.000 0.195 0.000 1.634 92 F HN -0.063 nan 8.300 nan 0.000 0.499 93 S N 0.677 116.326 115.700 -0.085 0.000 2.584 93 S HA -0.087 4.383 4.470 -0.000 0.000 0.240 93 S C 1.233 175.832 174.600 -0.002 0.000 0.975 93 S CA 2.004 60.095 58.200 -0.183 0.000 0.949 93 S CB -0.184 62.959 63.200 -0.095 0.000 0.761 93 S HN 0.751 nan 8.310 nan 0.000 0.536 94 Q N -0.540 119.329 119.800 0.114 0.000 2.534 94 Q HA 0.495 4.834 4.340 -0.000 0.000 0.252 94 Q C 2.226 178.327 176.000 0.168 0.000 0.850 94 Q CA 0.646 56.516 55.803 0.111 0.000 0.974 94 Q CB -0.796 27.995 28.738 0.089 0.000 1.205 94 Q HN 0.293 nan 8.270 nan 0.000 0.593 95 A N 1.846 124.826 122.820 0.266 0.000 1.940 95 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 95 A C 2.051 179.763 177.584 0.213 0.000 1.190 95 A CA 2.098 54.278 52.037 0.238 0.000 0.647 95 A CB -0.649 18.518 19.000 0.277 0.000 0.821 95 A HN 0.469 nan 8.150 nan 0.000 0.457 96 M N -0.760 119.035 119.600 0.324 0.000 2.200 96 M HA -0.022 4.457 4.480 -0.000 0.000 0.265 96 M C 2.241 178.610 176.300 0.115 0.000 1.066 96 M CA 1.603 57.047 55.300 0.240 0.000 1.127 96 M CB -0.552 32.256 32.600 0.346 0.000 1.379 96 M HN 0.424 nan 8.290 nan 0.000 0.420 97 A N 1.057 123.936 122.820 0.099 0.000 1.841 97 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 97 A C 2.015 179.623 177.584 0.040 0.000 1.199 97 A CA 1.914 53.979 52.037 0.048 0.000 0.621 97 A CB -1.415 17.608 19.000 0.039 0.000 0.835 97 A HN 0.648 nan 8.150 nan 0.000 0.445 98 A N -0.080 122.771 122.820 0.051 0.000 2.081 98 A HA 0.243 4.563 4.320 -0.000 0.000 0.213 98 A C 0.799 178.400 177.584 0.028 0.000 1.374 98 A CA 0.701 52.760 52.037 0.037 0.000 1.203 98 A CB -0.984 18.041 19.000 0.042 0.000 0.786 98 A HN 0.646 nan 8.150 nan 0.000 0.535 99 R N -0.876 119.639 120.500 0.025 0.000 2.514 99 R HA 0.583 4.923 4.340 -0.000 0.000 0.296 99 R C -0.490 175.810 176.300 0.001 0.000 1.012 99 R CA 0.125 56.232 56.100 0.012 0.000 0.897 99 R CB 1.321 31.631 30.300 0.017 0.000 1.184 99 R HN 0.154 nan 8.270 nan 0.000 0.440 100 S N 3.673 119.370 115.700 -0.005 0.000 2.795 100 S HA 0.567 5.037 4.470 -0.000 0.000 0.308 100 S C 0.397 174.988 174.600 -0.014 0.000 1.098 100 S CA -1.061 57.134 58.200 -0.008 0.000 0.934 100 S CB 0.557 63.755 63.200 -0.004 0.000 1.300 100 S HN 0.538 nan 8.310 nan 0.000 0.566 101 I N 1.843 122.406 120.570 -0.012 0.000 2.638 101 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 101 I C 0.176 176.277 176.117 -0.028 0.000 1.088 101 I CA -0.247 61.044 61.300 -0.017 0.000 1.397 101 I CB 0.313 38.309 38.000 -0.006 0.000 1.414 101 I HN 0.604 nan 8.210 nan 0.000 0.566 102 N N 5.108 123.782 118.700 -0.042 0.000 2.949 102 N HA 0.145 4.885 4.740 -0.000 0.000 0.243 102 N C 1.021 176.487 175.510 -0.075 0.000 1.113 102 N CA -0.427 52.589 53.050 -0.056 0.000 0.980 102 N CB 0.340 38.787 38.487 -0.067 0.000 1.256 102 N HN 0.382 nan 8.380 nan 0.000 0.508 103 R N 1.866 122.328 120.500 -0.062 0.000 2.113 103 R HA -0.136 4.204 4.340 -0.000 0.000 0.244 103 R C -0.984 175.253 176.300 -0.104 0.000 1.142 103 R CA 1.389 57.444 56.100 -0.074 0.000 0.953 103 R CB -1.974 28.296 30.300 -0.050 0.000 0.860 103 R HN 0.482 nan 8.270 nan 0.000 0.438 104 P HA -0.129 nan 4.420 nan 0.000 0.218 104 P C 1.434 178.623 177.300 -0.185 0.000 1.149 104 P CA 1.191 64.228 63.100 -0.105 0.000 0.817 104 P CB -0.074 31.591 31.700 -0.058 0.000 0.785 105 M N -0.369 119.121 119.600 -0.184 0.000 2.123 105 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 105 M C 2.168 178.269 176.300 -0.331 0.000 1.069 105 M CA 1.430 56.571 55.300 -0.265 0.000 1.133 105 M CB -1.408 31.067 32.600 -0.208 0.000 1.356 105 M HN -0.207 nan 8.290 nan 0.000 0.415 106 L N -0.526 120.565 121.223 -0.219 0.000 2.131 106 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 106 L C 2.186 178.905 176.870 -0.251 0.000 1.092 106 L CA 1.593 56.330 54.840 -0.171 0.000 0.759 106 L CB -0.301 41.702 42.059 -0.094 0.000 0.903 106 L HN 0.443 nan 8.230 nan 0.000 0.435 107 Q N -0.474 119.173 119.800 -0.255 0.000 2.083 107 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 107 Q C 2.250 178.033 176.000 -0.361 0.000 0.969 107 Q CA 1.640 57.284 55.803 -0.265 0.000 0.838 107 Q CB -0.141 28.483 28.738 -0.191 0.000 0.900 107 Q HN 0.632 nan 8.270 nan 0.000 0.436 108 A N 0.534 123.045 122.820 -0.516 0.000 1.997 108 A HA -0.267 4.052 4.320 -0.000 0.000 0.221 108 A C 2.170 179.457 177.584 -0.495 0.000 1.172 108 A CA 1.893 53.422 52.037 -0.845 0.000 0.645 108 A CB -1.059 17.401 19.000 -0.900 0.000 0.813 108 A HN 0.502 nan 8.150 nan 0.000 0.454 109 A N 0.560 123.172 122.820 -0.347 0.000 1.835 109 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 109 A C 1.983 179.440 177.584 -0.212 0.000 1.199 109 A CA 1.603 53.528 52.037 -0.187 0.000 0.615 109 A CB -0.655 18.184 19.000 -0.270 0.000 0.838 109 A HN 0.532 nan 8.150 nan 0.000 0.444 110 I N 0.174 120.582 120.570 -0.269 0.000 2.315 110 I HA -0.274 3.895 4.170 -0.000 0.000 0.251 110 I C 2.645 178.692 176.117 -0.118 0.000 1.125 110 I CA 1.492 62.670 61.300 -0.203 0.000 1.392 110 I CB -2.067 35.789 38.000 -0.240 0.000 1.065 110 I HN 0.344 nan 8.210 nan 0.000 0.424 111 A N 2.372 125.116 122.820 -0.127 0.000 1.823 111 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 111 A C 2.375 179.940 177.584 -0.033 0.000 1.227 111 A CA 1.512 53.521 52.037 -0.046 0.000 0.616 111 A CB -1.229 17.750 19.000 -0.035 0.000 0.874 111 A HN 0.351 nan 8.150 nan 0.000 0.455 112 L N 0.228 121.397 121.223 -0.091 0.000 2.123 112 L HA -0.317 4.023 4.340 -0.000 0.000 0.217 112 L C 2.679 179.540 176.870 -0.015 0.000 1.081 112 L CA 2.367 57.083 54.840 -0.207 0.000 0.772 112 L CB -0.454 41.361 42.059 -0.406 0.000 0.890 112 L HN 0.636 nan 8.230 nan 0.000 0.437 113 K N 0.566 120.964 120.400 -0.003 0.000 2.062 113 K HA -0.236 4.084 4.320 -0.000 0.000 0.205 113 K C 2.232 178.863 176.600 0.052 0.000 1.051 113 K CA 1.629 57.938 56.287 0.037 0.000 0.941 113 K CB -0.092 32.382 32.500 -0.043 0.000 0.719 113 K HN 0.226 nan 8.250 nan 0.000 0.440 114 K N 1.243 121.658 120.400 0.025 0.000 2.057 114 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 114 K C 2.189 178.838 176.600 0.082 0.000 1.049 114 K CA 1.672 57.982 56.287 0.038 0.000 0.931 114 K CB -0.043 32.472 32.500 0.025 0.000 0.714 114 K HN 0.035 nan 8.250 nan 0.000 0.440 115 K N -1.148 119.320 120.400 0.112 0.000 2.147 115 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 115 K C 0.848 177.616 176.600 0.281 0.000 1.049 115 K CA 1.618 58.018 56.287 0.188 0.000 0.936 115 K CB 0.079 32.693 32.500 0.190 0.000 0.722 115 K HN 0.485 nan 8.250 nan 0.000 0.446 116 G N -1.862 107.132 108.800 0.322 0.000 2.321 116 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.174 116 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.174 116 G C -0.227 174.818 174.900 0.240 0.000 1.008 116 G CA -0.483 44.758 45.100 0.235 0.000 0.739 116 G HN 0.078 nan 8.290 nan 0.000 0.502 117 F N 1.799 121.770 119.950 0.034 0.000 2.377 117 F HA 0.777 5.303 4.527 -0.000 0.000 0.335 117 F C 1.032 176.842 175.800 0.018 0.000 1.099 117 F CA -0.361 57.661 58.000 0.037 0.000 1.072 117 F CB 0.723 39.759 39.000 0.060 0.000 1.417 117 F HN 0.041 nan 8.300 nan 0.000 0.495 118 T N -1.674 113.030 114.554 0.250 0.000 2.824 118 T HA 0.602 4.952 4.350 -0.000 0.000 0.282 118 T C -0.433 174.368 174.700 0.168 0.000 0.993 118 T CA -0.913 61.257 62.100 0.117 0.000 0.967 118 T CB 1.171 70.076 68.868 0.061 0.000 0.960 118 T HN 0.666 nan 8.240 nan 0.000 0.441 119 T N -0.722 113.918 114.554 0.145 0.000 2.925 119 T HA 0.792 5.142 4.350 -0.000 0.000 0.285 119 T C 0.279 175.214 174.700 0.391 0.000 1.021 119 T CA -0.821 61.449 62.100 0.284 0.000 1.042 119 T CB 0.731 69.776 68.868 0.295 0.000 1.037 119 T HN 1.281 nan 8.240 nan 0.000 0.481 120 C N 0.834 120.378 119.300 0.406 0.000 3.332 120 C HA 0.856 5.316 4.460 -0.000 0.000 0.329 120 C C -1.521 173.446 174.990 -0.038 0.000 1.434 120 C CA -1.209 57.946 59.018 0.228 0.000 1.314 120 C CB 0.558 28.398 27.740 0.166 0.000 1.664 120 C HN 0.969 nan 8.230 nan 0.000 0.457 121 I N 1.845 122.352 120.570 -0.105 0.000 2.533 121 I HA 0.624 4.794 4.170 -0.000 0.000 0.290 121 I C -0.463 175.595 176.117 -0.098 0.000 1.056 121 I CA -0.354 60.852 61.300 -0.156 0.000 1.057 121 I CB 1.593 39.432 38.000 -0.268 0.000 1.240 121 I HN 0.877 nan 8.210 nan 0.000 0.423 122 V N 3.849 123.706 119.914 -0.094 0.000 2.564 122 V HA 0.439 4.559 4.120 -0.000 0.000 0.259 122 V C -0.544 175.545 176.094 -0.008 0.000 0.936 122 V CA 0.171 62.387 62.300 -0.141 0.000 0.867 122 V CB 1.224 32.834 31.823 -0.356 0.000 1.076 122 V HN 0.940 nan 8.190 nan 0.000 0.476 123 T N 2.940 117.485 114.554 -0.015 0.000 2.949 123 T HA 0.536 4.886 4.350 -0.000 0.000 0.287 123 T C -0.245 174.457 174.700 0.003 0.000 1.034 123 T CA -0.554 61.568 62.100 0.036 0.000 1.018 123 T CB 1.589 70.459 68.868 0.003 0.000 1.135 123 T HN 0.634 nan 8.240 nan 0.000 0.532 124 N N 3.741 122.470 118.700 0.048 0.000 2.437 124 N HA 0.360 5.100 4.740 -0.000 0.000 0.243 124 N C -0.030 175.520 175.510 0.067 0.000 1.041 124 N CA -0.299 52.783 53.050 0.053 0.000 0.940 124 N CB 0.636 39.175 38.487 0.087 0.000 1.133 124 N HN 0.499 nan 8.380 nan 0.000 0.506 125 N N 1.228 119.939 118.700 0.019 0.000 2.592 125 N HA 0.488 5.228 4.740 -0.000 0.000 0.290 125 N C -0.627 174.993 175.510 0.184 0.000 1.364 125 N CA 0.034 53.046 53.050 -0.064 0.000 0.878 125 N CB 0.563 38.966 38.487 -0.141 0.000 1.104 125 N HN 0.568 nan 8.380 nan 0.000 0.485 126 W N -1.357 119.922 121.300 -0.035 0.000 3.367 126 W HA 0.282 4.942 4.660 -0.000 0.000 0.335 126 W C -2.594 173.900 176.519 -0.041 0.000 0.680 126 W CA -0.936 56.381 57.345 -0.045 0.000 0.769 126 W CB -0.753 28.678 29.460 -0.047 0.000 1.333 126 W HN 0.118 nan 8.180 nan 0.000 0.504 127 L N 2.430 123.891 121.223 0.396 0.000 2.294 127 L HA 0.421 4.761 4.340 -0.000 0.000 0.283 127 L C -0.394 176.675 176.870 0.332 0.000 1.015 127 L CA -0.365 54.607 54.840 0.221 0.000 0.831 127 L CB 1.105 43.230 42.059 0.110 0.000 1.217 127 L HN 0.326 nan 8.230 nan 0.000 0.420 128 D N 1.847 122.370 120.400 0.205 0.000 2.374 128 D HA 0.183 4.823 4.640 -0.000 0.000 0.240 128 D C 0.037 176.370 176.300 0.055 0.000 1.229 128 D CA 0.027 54.101 54.000 0.122 0.000 0.895 128 D CB 0.821 41.610 40.800 -0.019 0.000 1.046 128 D HN 0.498 nan 8.370 nan 0.000 0.498 129 D N 1.559 122.022 120.400 0.105 0.000 2.325 129 D HA 0.138 4.777 4.640 -0.000 0.000 0.225 129 D C 1.438 177.769 176.300 0.053 0.000 1.096 129 D CA -0.384 53.659 54.000 0.071 0.000 0.844 129 D CB -0.170 40.683 40.800 0.088 0.000 0.925 129 D HN 0.359 nan 8.370 nan 0.000 0.513 130 G N 0.469 109.273 108.800 0.007 0.000 2.492 130 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.308 130 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.308 130 G C 0.471 175.353 174.900 -0.030 0.000 1.323 130 G CA -0.058 45.014 45.100 -0.048 0.000 1.132 130 G HN 0.014 nan 8.290 nan 0.000 0.630 131 D N -1.236 119.139 120.400 -0.041 0.000 2.431 131 D HA 0.042 4.682 4.640 -0.000 0.000 0.227 131 D C 1.540 177.817 176.300 -0.039 0.000 1.030 131 D CA 0.398 54.383 54.000 -0.026 0.000 0.897 131 D CB 0.346 41.140 40.800 -0.011 0.000 1.058 131 D HN 0.134 nan 8.370 nan 0.000 0.500 132 K N 1.345 121.711 120.400 -0.057 0.000 2.745 132 K HA 0.172 4.492 4.320 -0.000 0.000 0.223 132 K C 1.410 177.970 176.600 -0.066 0.000 1.057 132 K CA -0.110 56.147 56.287 -0.051 0.000 1.217 132 K CB 0.217 32.691 32.500 -0.043 0.000 0.993 132 K HN -0.047 nan 8.250 nan 0.000 0.478 133 R N 1.012 121.472 120.500 -0.067 0.000 2.075 133 R HA -0.162 4.178 4.340 -0.000 0.000 0.230 133 R C 1.174 177.438 176.300 -0.061 0.000 1.140 133 R CA 2.299 58.358 56.100 -0.069 0.000 0.928 133 R CB -0.094 30.176 30.300 -0.050 0.000 0.834 133 R HN 0.412 nan 8.270 nan 0.000 0.429 134 D N -0.141 120.229 120.400 -0.050 0.000 2.170 134 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 134 D C 1.714 177.984 176.300 -0.049 0.000 1.004 134 D CA 1.676 55.647 54.000 -0.048 0.000 0.860 134 D CB -0.875 39.898 40.800 -0.045 0.000 0.931 134 D HN 0.043 nan 8.370 nan 0.000 0.448 135 S N -0.714 114.959 115.700 -0.045 0.000 2.414 135 S HA -0.190 4.279 4.470 -0.000 0.000 0.241 135 S C 1.545 176.116 174.600 -0.048 0.000 1.079 135 S CA 1.207 59.384 58.200 -0.038 0.000 1.087 135 S CB -0.366 62.817 63.200 -0.028 0.000 0.927 135 S HN 0.248 nan 8.310 nan 0.000 0.456 136 L N 1.072 122.255 121.223 -0.067 0.000 2.034 136 L HA 0.150 4.490 4.340 -0.000 0.000 0.203 136 L C 2.573 179.395 176.870 -0.080 0.000 1.074 136 L CA 2.057 56.841 54.840 -0.093 0.000 0.748 136 L CB -1.931 40.046 42.059 -0.136 0.000 0.905 136 L HN 0.299 nan 8.230 nan 0.000 0.439 137 A N -0.040 122.737 122.820 -0.071 0.000 1.879 137 A HA -0.388 3.932 4.320 -0.000 0.000 0.222 137 A C 2.034 179.590 177.584 -0.047 0.000 1.368 137 A CA 2.952 54.954 52.037 -0.058 0.000 0.707 137 A CB -1.037 17.933 19.000 -0.050 0.000 0.846 137 A HN 0.682 nan 8.150 nan 0.000 0.468 138 Q N -1.171 118.605 119.800 -0.040 0.000 2.014 138 Q HA -0.281 4.059 4.340 -0.000 0.000 0.207 138 Q C 2.136 178.125 176.000 -0.019 0.000 0.993 138 Q CA 2.090 57.876 55.803 -0.029 0.000 0.850 138 Q CB -0.615 28.105 28.738 -0.029 0.000 0.916 138 Q HN 0.846 nan 8.270 nan 0.000 0.417 139 M N -0.223 119.362 119.600 -0.025 0.000 2.255 139 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 139 M C 1.643 177.936 176.300 -0.012 0.000 1.071 139 M CA 1.674 56.964 55.300 -0.018 0.000 1.074 139 M CB 0.002 32.581 32.600 -0.034 0.000 1.384 139 M HN 0.123 nan 8.290 nan 0.000 0.415 140 M N -0.821 118.762 119.600 -0.029 0.000 2.429 140 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 140 M C 2.527 178.824 176.300 -0.005 0.000 1.120 140 M CA 1.092 56.376 55.300 -0.026 0.000 1.173 140 M CB -1.552 31.013 32.600 -0.058 0.000 1.343 140 M HN 0.672 nan 8.290 nan 0.000 0.464 141 C N 1.221 120.512 119.300 -0.015 0.000 2.410 141 C HA -0.178 4.282 4.460 -0.000 0.000 0.281 141 C C 2.538 177.526 174.990 -0.003 0.000 1.318 141 C CA 1.596 60.604 59.018 -0.016 0.000 1.776 141 C CB -0.873 26.852 27.740 -0.024 0.000 1.942 141 C HN 0.630 nan 8.230 nan 0.000 0.508 142 E N 0.188 120.402 120.200 0.024 0.000 2.016 142 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 142 E C 2.103 178.786 176.600 0.139 0.000 0.985 142 E CA 1.354 57.795 56.400 0.069 0.000 0.802 142 E CB -0.341 29.401 29.700 0.069 0.000 0.762 142 E HN 0.670 nan 8.360 nan 0.000 0.448 143 L N 1.151 122.474 121.223 0.167 0.000 2.079 143 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 143 L C 2.620 179.648 176.870 0.263 0.000 1.081 143 L CA 1.168 56.197 54.840 0.316 0.000 0.752 143 L CB -0.877 41.326 42.059 0.240 0.000 0.896 143 L HN 0.257 nan 8.230 nan 0.000 0.433 144 S N 0.322 116.082 115.700 0.101 0.000 2.355 144 S HA -0.419 4.050 4.470 -0.000 0.000 0.318 144 S C 2.014 176.574 174.600 -0.067 0.000 1.057 144 S CA 2.253 60.468 58.200 0.025 0.000 1.684 144 S CB -0.635 62.548 63.200 -0.029 0.000 1.408 144 S HN 0.480 nan 8.310 nan 0.000 0.465 145 Q N 0.592 120.232 119.800 -0.265 0.000 2.344 145 Q HA -0.161 4.179 4.340 -0.000 0.000 0.212 145 Q C 1.923 177.632 176.000 -0.485 0.000 0.991 145 Q CA 1.713 57.273 55.803 -0.405 0.000 0.897 145 Q CB -0.818 27.601 28.738 -0.532 0.000 0.915 145 Q HN 0.839 nan 8.270 nan 0.000 0.438 146 H N -2.043 116.972 119.070 -0.092 0.000 2.539 146 H HA 0.191 4.747 4.556 -0.000 0.000 0.269 146 H C -0.014 174.926 175.328 -0.647 0.000 0.980 146 H CA 0.077 55.915 56.048 -0.350 0.000 1.152 146 H CB 0.096 29.594 29.762 -0.439 0.000 1.407 146 H HN 0.082 nan 8.280 nan 0.000 0.564 147 F N 0.407 120.381 119.950 0.040 0.000 2.577 147 F HA 0.225 4.752 4.527 -0.000 0.000 0.318 147 F C 0.917 176.682 175.800 -0.059 0.000 1.065 147 F CA -0.986 57.036 58.000 0.035 0.000 0.929 147 F CB 1.835 40.886 39.000 0.085 0.000 1.237 147 F HN -0.194 nan 8.300 nan 0.000 0.468 148 D N 0.581 120.995 120.400 0.024 0.000 2.338 148 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 148 D C -0.297 175.810 176.300 -0.322 0.000 0.997 148 D CA 1.043 54.887 54.000 -0.260 0.000 0.880 148 D CB 0.390 40.883 40.800 -0.513 0.000 0.980 148 D HN 0.059 nan 8.370 nan 0.000 0.509 149 F N 0.917 120.939 119.950 0.121 0.000 2.493 149 F HA 0.358 4.885 4.527 -0.000 0.000 0.329 149 F C -0.366 175.464 175.800 0.051 0.000 1.126 149 F CA -1.307 56.737 58.000 0.072 0.000 0.937 149 F CB 1.786 40.817 39.000 0.051 0.000 1.146 149 F HN -0.286 nan 8.300 nan 0.000 0.442 150 L N 5.662 127.034 121.223 0.249 0.000 2.277 150 L HA 0.535 4.874 4.340 -0.000 0.000 0.284 150 L C -0.555 176.348 176.870 0.055 0.000 1.028 150 L CA -0.535 54.366 54.840 0.102 0.000 0.835 150 L CB 0.389 42.482 42.059 0.055 0.000 1.215 150 L HN 0.435 nan 8.230 nan 0.000 0.425 151 I N 4.653 125.225 120.570 0.003 0.000 2.377 151 I HA 0.268 4.438 4.170 -0.000 0.000 0.282 151 I C -0.297 175.741 176.117 -0.132 0.000 1.091 151 I CA -0.430 60.827 61.300 -0.071 0.000 1.207 151 I CB 0.352 38.301 38.000 -0.085 0.000 1.429 151 I HN 0.543 nan 8.210 nan 0.000 0.491 152 E N 2.921 123.040 120.200 -0.136 0.000 2.179 152 E HA 0.272 4.621 4.350 -0.000 0.000 0.275 152 E C 0.965 177.473 176.600 -0.154 0.000 0.945 152 E CA -0.585 55.736 56.400 -0.131 0.000 0.792 152 E CB 1.617 31.253 29.700 -0.107 0.000 1.125 152 E HN 0.526 nan 8.360 nan 0.000 0.397 153 S N 1.478 117.103 115.700 -0.124 0.000 2.365 153 S HA -0.308 4.162 4.470 -0.000 0.000 0.225 153 S C 2.043 176.596 174.600 -0.078 0.000 1.039 153 S CA 1.419 59.554 58.200 -0.108 0.000 1.033 153 S CB -0.986 62.185 63.200 -0.047 0.000 0.887 153 S HN 0.870 nan 8.310 nan 0.000 0.447 154 C N 0.911 120.187 119.300 -0.040 0.000 2.443 154 C HA 0.064 4.524 4.460 -0.000 0.000 0.290 154 C C 2.339 177.304 174.990 -0.043 0.000 1.476 154 C CA 0.539 59.548 59.018 -0.015 0.000 1.772 154 C CB -1.225 26.531 27.740 0.027 0.000 1.714 154 C HN 0.472 nan 8.230 nan 0.000 0.562 155 Q N 1.272 121.024 119.800 -0.080 0.000 2.377 155 Q HA 0.142 4.482 4.340 -0.000 0.000 0.193 155 Q C 2.406 178.338 176.000 -0.112 0.000 0.986 155 Q CA 1.892 57.646 55.803 -0.081 0.000 0.851 155 Q CB -0.986 27.704 28.738 -0.079 0.000 0.986 155 Q HN 0.678 nan 8.270 nan 0.000 0.559 156 V N -0.363 119.426 119.914 -0.208 0.000 3.519 156 V HA 0.140 4.260 4.120 -0.000 0.000 0.272 156 V C 1.343 177.311 176.094 -0.211 0.000 1.238 156 V CA 1.335 63.456 62.300 -0.299 0.000 1.194 156 V CB -1.525 29.840 31.823 -0.763 0.000 0.923 156 V HN 0.547 nan 8.190 nan 0.000 0.517 157 G N 0.797 109.520 108.800 -0.129 0.000 2.448 157 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.257 157 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.257 157 G C 0.157 175.005 174.900 -0.086 0.000 0.997 157 G CA 1.204 46.255 45.100 -0.082 0.000 0.635 157 G HN 0.827 nan 8.290 nan 0.000 0.556 158 M N 1.348 120.865 119.600 -0.138 0.000 2.080 158 M HA 0.675 5.155 4.480 -0.000 0.000 0.350 158 M C 0.501 176.738 176.300 -0.107 0.000 1.173 158 M CA -1.134 54.102 55.300 -0.106 0.000 1.052 158 M CB 1.091 33.628 32.600 -0.105 0.000 1.577 158 M HN 0.292 nan 8.290 nan 0.000 0.455 159 I N -0.334 120.207 120.570 -0.049 0.000 3.211 159 I HA 0.462 4.632 4.170 -0.000 0.000 0.297 159 I C -0.258 175.854 176.117 -0.008 0.000 1.095 159 I CA -0.584 60.698 61.300 -0.031 0.000 1.239 159 I CB 0.380 38.380 38.000 0.000 0.000 1.455 159 I HN 0.585 nan 8.210 nan 0.000 0.630 160 K N 2.221 122.627 120.400 0.010 0.000 2.183 160 K HA 0.434 4.754 4.320 -0.000 0.000 0.274 160 K C -2.139 174.494 176.600 0.056 0.000 1.009 160 K CA -1.435 54.896 56.287 0.074 0.000 0.888 160 K CB 1.214 33.765 32.500 0.085 0.000 1.078 160 K HN 0.507 nan 8.250 nan 0.000 0.459 161 P HA 0.150 nan 4.420 nan 0.000 0.250 161 P C -1.098 176.365 177.300 0.273 0.000 1.808 161 P CA -0.292 62.957 63.100 0.248 0.000 1.117 161 P CB 0.130 31.921 31.700 0.152 0.000 1.602 162 E N 1.974 122.299 120.200 0.209 0.000 2.265 162 E HA 0.047 4.396 4.350 -0.000 0.000 0.272 162 E C -1.334 175.455 176.600 0.315 0.000 1.067 162 E CA -1.684 54.820 56.400 0.172 0.000 0.900 162 E CB 0.420 30.175 29.700 0.092 0.000 1.017 162 E HN 0.156 nan 8.360 nan 0.000 0.431 163 P HA -0.294 nan 4.420 nan 0.000 0.221 163 P C 0.845 178.373 177.300 0.380 0.000 1.142 163 P CA 1.186 64.458 63.100 0.287 0.000 0.804 163 P CB 0.163 31.909 31.700 0.078 0.000 0.756 164 Q N -0.020 119.924 119.800 0.240 0.000 1.900 164 Q HA -0.198 4.141 4.340 -0.000 0.000 0.219 164 Q C 2.268 178.355 176.000 0.145 0.000 1.012 164 Q CA 1.755 57.647 55.803 0.148 0.000 0.876 164 Q CB -1.531 27.245 28.738 0.064 0.000 0.952 164 Q HN 0.356 nan 8.270 nan 0.000 0.419 165 I N -0.480 120.082 120.570 -0.013 0.000 2.182 165 I HA -0.349 3.821 4.170 -0.000 0.000 0.248 165 I C 2.377 178.392 176.117 -0.170 0.000 1.073 165 I CA 1.915 63.091 61.300 -0.206 0.000 1.335 165 I CB -1.030 36.706 38.000 -0.440 0.000 1.031 165 I HN 0.091 nan 8.210 nan 0.000 0.420 166 Y N 0.948 121.280 120.300 0.054 0.000 2.114 166 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 166 Y C 2.692 178.616 175.900 0.040 0.000 1.143 166 Y CA 1.594 59.714 58.100 0.033 0.000 1.135 166 Y CB -1.040 37.447 38.460 0.045 0.000 0.980 166 Y HN 0.175 nan 8.280 nan 0.000 0.499 167 N N -0.177 118.651 118.700 0.213 0.000 2.120 167 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 167 N C 1.873 177.423 175.510 0.066 0.000 1.024 167 N CA 1.316 54.433 53.050 0.113 0.000 0.852 167 N CB -0.595 37.953 38.487 0.101 0.000 1.003 167 N HN 0.362 nan 8.380 nan 0.000 0.424 168 F N 1.723 121.646 119.950 -0.045 0.000 2.126 168 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 168 F C 2.324 178.041 175.800 -0.138 0.000 1.096 168 F CA 0.899 58.844 58.000 -0.091 0.000 1.255 168 F CB -0.331 38.607 39.000 -0.103 0.000 0.997 168 F HN -0.033 nan 8.300 nan 0.000 0.479 169 L N 0.199 121.539 121.223 0.196 0.000 1.948 169 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 169 L C 2.345 179.142 176.870 -0.122 0.000 1.074 169 L CA 1.799 56.659 54.840 0.033 0.000 0.753 169 L CB -0.711 41.308 42.059 -0.067 0.000 0.888 169 L HN 0.198 nan 8.230 nan 0.000 0.432 170 L N 0.129 121.311 121.223 -0.069 0.000 2.103 170 L HA -0.336 4.004 4.340 -0.000 0.000 0.215 170 L C 2.267 179.058 176.870 -0.131 0.000 1.080 170 L CA 1.695 56.492 54.840 -0.072 0.000 0.764 170 L CB -0.867 41.180 42.059 -0.020 0.000 0.890 170 L HN 0.429 nan 8.230 nan 0.000 0.435 171 D N -0.948 119.335 120.400 -0.196 0.000 2.077 171 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 171 D C 2.155 178.242 176.300 -0.355 0.000 0.986 171 D CA 1.895 55.737 54.000 -0.262 0.000 0.829 171 D CB -0.252 40.349 40.800 -0.332 0.000 0.983 171 D HN 0.282 nan 8.370 nan 0.000 0.453 172 T N 2.249 116.480 114.554 -0.539 0.000 2.649 172 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 172 T C 1.894 176.249 174.700 -0.576 0.000 1.036 172 T CA 1.215 62.928 62.100 -0.644 0.000 1.157 172 T CB -0.132 68.313 68.868 -0.706 0.000 0.861 172 T HN 0.149 nan 8.240 nan 0.000 0.445 173 L N -1.306 119.680 121.223 -0.396 0.000 2.357 173 L HA 0.410 4.750 4.340 -0.000 0.000 0.211 173 L C 0.203 177.041 176.870 -0.053 0.000 1.075 173 L CA 0.448 55.206 54.840 -0.137 0.000 0.830 173 L CB -1.077 41.041 42.059 0.098 0.000 0.996 173 L HN 0.205 nan 8.230 nan 0.000 0.467 174 K N 0.681 121.024 120.400 -0.095 0.000 5.261 174 K HA 0.133 4.453 4.320 -0.000 0.000 0.544 174 K C -0.598 175.984 176.600 -0.030 0.000 1.225 174 K CA 0.743 56.990 56.287 -0.066 0.000 1.394 174 K CB -1.490 30.977 32.500 -0.055 0.000 1.786 174 K HN 0.639 nan 8.250 nan 0.000 0.389 175 A N 1.409 124.212 122.820 -0.029 0.000 2.610 175 A HA 0.754 5.074 4.320 -0.000 0.000 0.291 175 A C -1.317 176.261 177.584 -0.009 0.000 1.086 175 A CA -0.980 51.049 52.037 -0.013 0.000 0.677 175 A CB 1.263 20.263 19.000 -0.000 0.000 1.278 175 A HN 0.156 nan 8.150 nan 0.000 0.414 176 K N 0.906 121.304 120.400 -0.002 0.000 2.218 176 K HA 0.512 4.831 4.320 -0.000 0.000 0.276 176 K C -1.936 174.675 176.600 0.018 0.000 1.022 176 K CA -1.938 54.352 56.287 0.005 0.000 0.946 176 K CB 0.886 33.389 32.500 0.004 0.000 1.000 176 K HN 0.282 nan 8.250 nan 0.000 0.468 177 P HA -0.267 nan 4.420 nan 0.000 0.218 177 P C 0.097 177.426 177.300 0.049 0.000 1.150 177 P CA 1.648 64.774 63.100 0.043 0.000 0.841 177 P CB -0.003 31.720 31.700 0.039 0.000 0.784 178 N N 1.038 119.760 118.700 0.038 0.000 2.047 178 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 178 N C 1.128 176.667 175.510 0.049 0.000 1.055 178 N CA 1.090 54.165 53.050 0.042 0.000 0.847 178 N CB -1.650 36.854 38.487 0.030 0.000 1.038 178 N HN 0.182 nan 8.380 nan 0.000 0.427 179 E N 0.753 120.973 120.200 0.033 0.000 2.888 179 E HA 0.100 4.450 4.350 -0.000 0.000 0.271 179 E C -0.678 175.950 176.600 0.047 0.000 1.527 179 E CA -0.511 55.908 56.400 0.030 0.000 1.700 179 E CB -0.484 29.213 29.700 -0.006 0.000 1.410 179 E HN 0.371 nan 8.360 nan 0.000 0.445 180 V N -1.617 118.341 119.914 0.074 0.000 2.697 180 V HA 0.451 4.571 4.120 -0.000 0.000 0.296 180 V C -0.328 175.831 176.094 0.108 0.000 1.140 180 V CA -1.023 61.328 62.300 0.084 0.000 0.921 180 V CB 0.943 32.793 31.823 0.045 0.000 1.036 180 V HN 0.165 nan 8.190 nan 0.000 0.438 181 V N 5.203 125.194 119.914 0.129 0.000 2.716 181 V HA 0.910 5.030 4.120 -0.000 0.000 0.304 181 V C -1.026 175.186 176.094 0.196 0.000 1.053 181 V CA -0.309 62.086 62.300 0.159 0.000 0.984 181 V CB 1.802 33.724 31.823 0.164 0.000 1.021 181 V HN 1.123 nan 8.190 nan 0.000 0.467 182 F N 5.439 125.408 119.950 0.031 0.000 2.599 182 F HA 0.895 5.422 4.527 -0.000 0.000 0.311 182 F C -1.237 174.612 175.800 0.082 0.000 1.076 182 F CA -1.924 56.092 58.000 0.026 0.000 0.937 182 F CB 2.076 41.121 39.000 0.075 0.000 1.282 182 F HN 0.720 nan 8.300 nan 0.000 0.460 183 L N 2.363 123.574 121.223 -0.019 0.000 2.588 183 L HA 0.652 4.992 4.340 -0.000 0.000 0.263 183 L C -1.737 174.978 176.870 -0.259 0.000 0.935 183 L CA -0.616 54.141 54.840 -0.139 0.000 0.891 183 L CB 2.044 44.191 42.059 0.146 0.000 1.318 183 L HN 0.360 nan 8.230 nan 0.000 0.409 184 D N 1.219 121.457 120.400 -0.271 0.000 2.738 184 D HA 0.226 4.866 4.640 -0.000 0.000 0.237 184 D C 0.033 176.317 176.300 -0.026 0.000 1.123 184 D CA -0.140 53.777 54.000 -0.139 0.000 0.856 184 D CB 2.604 43.299 40.800 -0.175 0.000 1.552 184 D HN 0.834 nan 8.370 nan 0.000 0.480 185 D N 1.473 121.861 120.400 -0.019 0.000 2.309 185 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 185 D C 1.477 177.719 176.300 -0.096 0.000 0.968 185 D CA 0.799 54.751 54.000 -0.079 0.000 0.882 185 D CB -0.140 40.545 40.800 -0.192 0.000 0.918 185 D HN 0.242 nan 8.370 nan 0.000 0.503 186 F N 0.636 120.590 119.950 0.008 0.000 2.317 186 F HA 0.255 4.782 4.527 -0.000 0.000 0.293 186 F C 2.607 178.398 175.800 -0.015 0.000 1.085 186 F CA 1.108 59.115 58.000 0.011 0.000 1.390 186 F CB -0.265 38.743 39.000 0.012 0.000 1.077 186 F HN 0.225 nan 8.300 nan 0.000 0.517 187 G N -0.207 108.679 108.800 0.143 0.000 2.530 187 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.247 187 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.247 187 G C 1.411 176.342 174.900 0.052 0.000 1.067 187 G CA 0.925 46.056 45.100 0.051 0.000 0.650 187 G HN 0.383 nan 8.290 nan 0.000 0.531 188 S N -0.005 115.752 115.700 0.095 0.000 2.555 188 S HA 0.052 4.521 4.470 -0.000 0.000 0.230 188 S C 1.453 176.060 174.600 0.011 0.000 0.978 188 S CA 1.417 59.638 58.200 0.035 0.000 0.934 188 S CB -0.085 63.127 63.200 0.019 0.000 0.766 188 S HN 0.660 nan 8.310 nan 0.000 0.533 189 N N 0.323 119.048 118.700 0.042 0.000 2.322 189 N HA 0.314 5.054 4.740 -0.000 0.000 0.181 189 N C 0.920 176.477 175.510 0.078 0.000 1.088 189 N CA 0.050 53.146 53.050 0.077 0.000 0.885 189 N CB 0.058 38.604 38.487 0.098 0.000 1.013 189 N HN 0.223 nan 8.380 nan 0.000 0.472 190 L N 0.341 121.569 121.223 0.008 0.000 2.591 190 L HA 0.138 4.478 4.340 -0.000 0.000 0.228 190 L C 1.997 178.860 176.870 -0.012 0.000 1.133 190 L CA 0.267 55.103 54.840 -0.006 0.000 0.880 190 L CB 0.039 42.070 42.059 -0.047 0.000 1.033 190 L HN 0.053 nan 8.230 nan 0.000 0.450 191 K N 0.853 121.234 120.400 -0.031 0.000 1.978 191 K HA -0.148 4.172 4.320 -0.000 0.000 0.214 191 K C -0.338 176.198 176.600 -0.106 0.000 1.049 191 K CA 1.707 57.962 56.287 -0.054 0.000 0.939 191 K CB -1.038 31.431 32.500 -0.051 0.000 0.721 191 K HN 0.189 nan 8.250 nan 0.000 0.441 192 P HA -0.176 nan 4.420 nan 0.000 0.214 192 P C 1.079 178.201 177.300 -0.297 0.000 1.163 192 P CA 1.936 64.799 63.100 -0.395 0.000 0.889 192 P CB -0.111 31.028 31.700 -0.935 0.000 0.790 193 A N -0.572 122.128 122.820 -0.201 0.000 1.940 193 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 193 A C 2.409 180.021 177.584 0.047 0.000 1.176 193 A CA 1.435 53.505 52.037 0.054 0.000 0.631 193 A CB -1.015 18.172 19.000 0.311 0.000 0.814 193 A HN -0.032 nan 8.150 nan 0.000 0.446 194 R N -0.130 120.378 120.500 0.014 0.000 2.115 194 R HA -0.090 4.250 4.340 -0.000 0.000 0.226 194 R C 1.272 177.570 176.300 -0.002 0.000 1.100 194 R CA 1.486 57.596 56.100 0.017 0.000 0.980 194 R CB -0.616 29.688 30.300 0.006 0.000 0.875 194 R HN 0.527 nan 8.270 nan 0.000 0.445 195 D N 0.458 120.837 120.400 -0.034 0.000 2.106 195 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 195 D C 2.079 178.366 176.300 -0.021 0.000 0.988 195 D CA 1.888 55.865 54.000 -0.038 0.000 0.845 195 D CB -0.358 40.398 40.800 -0.074 0.000 0.990 195 D HN 0.092 nan 8.370 nan 0.000 0.448 196 M N -1.008 118.576 119.600 -0.027 0.000 2.147 196 M HA -0.152 4.328 4.480 -0.000 0.000 0.253 196 M C 1.208 177.516 176.300 0.014 0.000 1.075 196 M CA 2.117 57.417 55.300 -0.001 0.000 1.085 196 M CB -0.634 31.977 32.600 0.018 0.000 1.305 196 M HN 0.299 nan 8.290 nan 0.000 0.409 197 G N 0.897 109.712 108.800 0.025 0.000 2.325 197 G HA2 0.078 4.038 3.960 -0.000 0.000 0.214 197 G HA3 0.078 4.038 3.960 -0.000 0.000 0.214 197 G C -0.417 174.514 174.900 0.050 0.000 1.087 197 G CA -0.418 44.701 45.100 0.032 0.000 0.811 197 G HN 0.379 nan 8.290 nan 0.000 0.486 198 M N -0.109 119.534 119.600 0.070 0.000 2.537 198 M HA 0.727 5.206 4.480 -0.000 0.000 0.324 198 M C 0.476 176.839 176.300 0.106 0.000 1.187 198 M CA -1.335 54.023 55.300 0.097 0.000 0.993 198 M CB 2.061 34.741 32.600 0.133 0.000 1.666 198 M HN -0.114 nan 8.290 nan 0.000 0.461 199 V N 1.961 121.943 119.914 0.113 0.000 2.421 199 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 199 V C 0.483 176.660 176.094 0.138 0.000 1.031 199 V CA -0.322 62.046 62.300 0.113 0.000 1.032 199 V CB -0.697 31.196 31.823 0.116 0.000 1.009 199 V HN 1.004 nan 8.190 nan 0.000 0.477 200 T N 4.403 119.023 114.554 0.109 0.000 2.874 200 T HA 0.798 5.148 4.350 -0.000 0.000 0.281 200 T C -0.360 174.386 174.700 0.077 0.000 0.994 200 T CA -0.676 61.479 62.100 0.093 0.000 1.015 200 T CB 1.706 70.606 68.868 0.052 0.000 1.028 200 T HN 0.418 nan 8.240 nan 0.000 0.523 201 I N 1.156 121.756 120.570 0.049 0.000 2.731 201 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 201 I C 0.308 176.437 176.117 0.019 0.000 1.399 201 I CA -0.760 60.575 61.300 0.058 0.000 1.048 201 I CB 1.955 40.022 38.000 0.112 0.000 1.345 201 I HN 0.589 nan 8.210 nan 0.000 0.425 202 L N 5.408 126.644 121.223 0.022 0.000 1.913 202 L HA 0.247 4.587 4.340 -0.000 0.000 0.215 202 L C 0.518 177.405 176.870 0.029 0.000 1.117 202 L CA 1.176 56.022 54.840 0.010 0.000 0.798 202 L CB 0.208 42.270 42.059 0.004 0.000 0.893 202 L HN 0.538 nan 8.230 nan 0.000 0.440 203 V N -0.504 119.443 119.914 0.056 0.000 6.838 203 V HA -0.189 3.931 4.120 -0.000 0.000 0.385 203 V C 0.335 176.480 176.094 0.085 0.000 0.381 203 V CA 0.280 62.613 62.300 0.056 0.000 1.036 203 V CB -2.062 29.780 31.823 0.032 0.000 0.981 203 V HN 0.715 nan 8.190 nan 0.000 0.816 204 H N 0.694 119.750 119.070 -0.024 0.000 2.548 204 H HA 0.055 4.611 4.556 -0.000 0.000 0.265 204 H C 1.411 176.719 175.328 -0.034 0.000 0.969 204 H CA 1.266 57.292 56.048 -0.036 0.000 1.155 204 H CB 0.561 30.310 29.762 -0.022 0.000 1.394 204 H HN 0.916 nan 8.280 nan 0.000 0.570 205 N N -0.823 117.879 118.700 0.005 0.000 2.378 205 N HA 0.000 4.740 4.740 -0.000 0.000 0.225 205 N C 0.292 175.774 175.510 -0.047 0.000 1.153 205 N CA 0.537 53.562 53.050 -0.041 0.000 1.134 205 N CB 0.550 39.035 38.487 -0.002 0.000 1.490 205 N HN -0.058 nan 8.380 nan 0.000 0.541 206 T N -3.941 110.599 114.554 -0.023 0.000 4.048 206 T HA 0.752 5.102 4.350 -0.000 0.000 0.321 206 T C -0.097 174.595 174.700 -0.014 0.000 0.890 206 T CA -0.106 61.977 62.100 -0.028 0.000 0.950 206 T CB 0.293 69.141 68.868 -0.032 0.000 1.150 206 T HN 0.724 nan 8.240 nan 0.000 0.557 207 A N 0.674 123.497 122.820 0.005 0.000 3.524 207 A HA 0.622 4.942 4.320 -0.000 0.000 0.060 207 A C 0.802 178.412 177.584 0.045 0.000 1.309 207 A CA 0.890 52.941 52.037 0.024 0.000 1.276 207 A CB -0.952 18.061 19.000 0.022 0.000 0.984 207 A HN 1.530 nan 8.150 nan 0.000 0.456 208 S N -1.769 113.960 115.700 0.048 0.000 4.142 208 S HA -0.146 4.324 4.470 -0.000 0.000 0.624 208 S C 1.799 176.438 174.600 0.066 0.000 1.892 208 S CA 2.903 61.134 58.200 0.051 0.000 4.236 208 S CB -1.950 61.278 63.200 0.046 0.000 0.204 208 S HN 2.629 nan 8.310 nan 0.000 0.486 209 A N 1.942 124.800 122.820 0.063 0.000 2.076 209 A HA 0.094 4.414 4.320 -0.000 0.000 0.220 209 A C 2.225 179.866 177.584 0.095 0.000 1.160 209 A CA 1.953 54.031 52.037 0.068 0.000 0.653 209 A CB -0.810 18.226 19.000 0.059 0.000 0.801 209 A HN 0.713 nan 8.150 nan 0.000 0.455 210 L N -0.149 121.133 121.223 0.099 0.000 1.934 210 L HA -0.315 4.025 4.340 -0.000 0.000 0.227 210 L C 3.074 180.058 176.870 0.190 0.000 1.084 210 L CA 2.375 57.290 54.840 0.125 0.000 0.790 210 L CB -0.483 41.627 42.059 0.085 0.000 0.896 210 L HN 0.566 nan 8.230 nan 0.000 0.437 211 R N -0.365 120.261 120.500 0.209 0.000 2.088 211 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 211 R C 1.944 178.374 176.300 0.216 0.000 1.136 211 R CA 1.450 57.786 56.100 0.393 0.000 0.926 211 R CB -1.070 29.428 30.300 0.331 0.000 0.837 211 R HN 0.463 nan 8.270 nan 0.000 0.429 212 E N 1.216 121.482 120.200 0.111 0.000 2.017 212 E HA -0.225 4.125 4.350 -0.000 0.000 0.220 212 E C 2.033 178.658 176.600 0.042 0.000 1.032 212 E CA 1.328 57.755 56.400 0.045 0.000 0.888 212 E CB -0.465 29.259 29.700 0.040 0.000 0.801 212 E HN 0.205 nan 8.360 nan 0.000 0.503 213 L N 1.493 122.752 121.223 0.060 0.000 2.129 213 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 213 L C 2.177 179.098 176.870 0.085 0.000 1.087 213 L CA 1.707 56.584 54.840 0.061 0.000 0.757 213 L CB -0.757 41.340 42.059 0.064 0.000 0.896 213 L HN 0.292 nan 8.230 nan 0.000 0.434 214 E N -0.189 120.090 120.200 0.132 0.000 2.285 214 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 214 E C 1.857 178.549 176.600 0.152 0.000 0.997 214 E CA 0.346 56.857 56.400 0.185 0.000 0.845 214 E CB 0.220 30.085 29.700 0.276 0.000 0.782 214 E HN 0.414 nan 8.360 nan 0.000 0.491 215 K N 0.006 120.423 120.400 0.028 0.000 2.360 215 K HA -0.087 4.232 4.320 -0.000 0.000 0.201 215 K C 1.892 178.423 176.600 -0.116 0.000 1.046 215 K CA 0.325 56.465 56.287 -0.244 0.000 0.945 215 K CB 0.166 32.464 32.500 -0.337 0.000 0.750 215 K HN -0.028 nan 8.250 nan 0.000 0.464 216 V N 1.305 121.212 119.914 -0.012 0.000 2.237 216 V HA -0.353 3.767 4.120 -0.000 0.000 0.245 216 V C 1.966 178.092 176.094 0.053 0.000 1.046 216 V CA 2.219 64.531 62.300 0.020 0.000 1.007 216 V CB -1.014 30.837 31.823 0.046 0.000 0.638 216 V HN 0.689 nan 8.190 nan 0.000 0.445 217 T N -0.749 113.863 114.554 0.098 0.000 1.696 217 T HA -0.365 3.985 4.350 -0.000 0.000 0.110 217 T C 1.424 176.229 174.700 0.176 0.000 1.926 217 T CA 2.290 64.489 62.100 0.165 0.000 0.857 217 T CB -1.552 67.409 68.868 0.155 0.000 0.808 217 T HN 0.638 nan 8.240 nan 0.000 0.389 218 G N 0.836 109.752 108.800 0.193 0.000 2.598 218 G HA2 0.496 4.456 3.960 -0.000 0.000 0.225 218 G HA3 0.496 4.456 3.960 -0.000 0.000 0.225 218 G C 0.589 175.533 174.900 0.074 0.000 1.631 218 G CA 0.677 45.885 45.100 0.179 0.000 0.821 218 G HN 1.323 nan 8.290 nan 0.000 0.610 219 T N -1.562 113.015 114.554 0.038 0.000 2.865 219 T HA 0.525 4.875 4.350 -0.000 0.000 0.294 219 T C -0.249 174.324 174.700 -0.211 0.000 1.119 219 T CA -0.593 61.472 62.100 -0.058 0.000 1.007 219 T CB 2.139 70.996 68.868 -0.019 0.000 1.225 219 T HN 0.521 nan 8.240 nan 0.000 0.515 220 Q N 0.686 120.280 119.800 -0.344 0.000 2.841 220 Q HA 0.415 4.755 4.340 -0.000 0.000 0.198 220 Q C -0.988 174.689 176.000 -0.539 0.000 1.135 220 Q CA -0.140 55.234 55.803 -0.714 0.000 1.167 220 Q CB -0.408 28.055 28.738 -0.458 0.000 1.288 220 Q HN 0.778 nan 8.270 nan 0.000 0.670 221 F N -2.422 117.525 119.950 -0.005 0.000 2.643 221 F HA 0.680 5.207 4.527 -0.000 0.000 0.314 221 F C -2.141 173.655 175.800 -0.007 0.000 1.096 221 F CA -2.307 55.687 58.000 -0.011 0.000 0.953 221 F CB 0.250 39.236 39.000 -0.024 0.000 1.345 221 F HN 0.444 nan 8.300 nan 0.000 0.468 222 P HA 0.249 nan 4.420 nan 0.000 0.312 222 P C -0.646 176.712 177.300 0.097 0.000 1.307 222 P CA 0.029 63.188 63.100 0.099 0.000 0.738 222 P CB 1.063 32.806 31.700 0.071 0.000 1.422 223 E N -1.669 118.565 120.200 0.058 0.000 2.500 223 E HA 0.421 4.771 4.350 -0.000 0.000 0.217 223 E C 0.267 176.883 176.600 0.026 0.000 0.848 223 E CA -0.382 56.045 56.400 0.044 0.000 1.217 223 E CB 0.318 30.040 29.700 0.035 0.000 1.217 223 E HN 0.360 nan 8.360 nan 0.000 0.573 224 A N 3.005 125.837 122.820 0.021 0.000 2.646 224 A HA 0.470 4.790 4.320 -0.000 0.000 0.312 224 A C -2.461 175.127 177.584 0.007 0.000 1.245 224 A CA -1.191 50.852 52.037 0.010 0.000 0.755 224 A CB 0.127 19.131 19.000 0.008 0.000 1.132 224 A HN 0.071 nan 8.150 nan 0.000 0.458 225 P HA 0.595 nan 4.420 nan 0.000 0.279 225 P C -0.487 176.811 177.300 -0.004 0.000 1.252 225 P CA -0.496 62.606 63.100 0.003 0.000 0.811 225 P CB 0.908 32.604 31.700 -0.006 0.000 1.035 226 L N 2.437 123.663 121.223 0.004 0.000 2.466 226 L HA 0.376 4.715 4.340 -0.000 0.000 0.257 226 L C -1.669 175.228 176.870 0.046 0.000 1.189 226 L CA -1.493 53.344 54.840 -0.005 0.000 0.813 226 L CB -0.542 41.518 42.059 0.002 0.000 1.118 226 L HN 0.417 nan 8.230 nan 0.000 0.471 227 P HA 0.118 nan 4.420 nan 0.000 0.274 227 P C -0.970 176.442 177.300 0.187 0.000 1.256 227 P CA -0.394 62.776 63.100 0.116 0.000 0.795 227 P CB 0.560 32.351 31.700 0.152 0.000 1.038 228 V N -2.509 117.452 119.914 0.079 0.000 2.715 228 V HA 0.145 4.265 4.120 -0.000 0.000 0.299 228 V C -1.531 174.545 176.094 -0.029 0.000 1.054 228 V CA -1.159 61.141 62.300 -0.000 0.000 1.077 228 V CB -0.525 31.235 31.823 -0.106 0.000 0.972 228 V HN 0.502 nan 8.190 nan 0.000 0.484 229 P HA 0.088 nan 4.420 nan 0.000 0.214 229 P C 0.279 177.449 177.300 -0.217 0.000 1.206 229 P CA 1.212 64.052 63.100 -0.434 0.000 0.715 229 P CB 0.029 31.541 31.700 -0.313 0.000 0.633 230 C N -0.550 118.686 119.300 -0.106 0.000 2.870 230 C HA 0.431 4.891 4.460 -0.000 0.000 0.413 230 C C -1.617 173.395 174.990 0.037 0.000 0.931 230 C CA -0.270 58.748 59.018 0.000 0.000 1.145 230 C CB -1.844 25.909 27.740 0.021 0.000 1.622 230 C HN 1.092 nan 8.230 nan 0.000 0.600 231 N N 2.681 121.398 118.700 0.028 0.000 5.297 231 N HA 0.594 5.334 4.740 -0.000 0.000 0.192 231 N C -3.248 172.238 175.510 -0.040 0.000 1.119 231 N CA -0.229 52.837 53.050 0.026 0.000 0.829 231 N CB 1.013 39.511 38.487 0.018 0.000 1.577 231 N HN 0.509 nan 8.380 nan 0.000 0.541 232 P HA 0.296 nan 4.420 nan 0.000 0.386 232 P C -1.226 176.144 177.300 0.116 0.000 1.462 232 P CA 0.141 63.219 63.100 -0.036 0.000 1.629 232 P CB -0.392 30.990 31.700 -0.531 0.000 1.737 233 N N -1.602 117.143 118.700 0.075 0.000 2.036 233 N HA 0.066 4.806 4.740 -0.000 0.000 0.224 233 N C -0.385 175.152 175.510 0.045 0.000 1.381 233 N CA -0.300 52.819 53.050 0.114 0.000 0.746 233 N CB -0.249 38.255 38.487 0.028 0.000 1.213 233 N HN -0.372 nan 8.380 nan 0.000 0.524 234 D N 0.810 121.213 120.400 0.005 0.000 2.427 234 D HA 0.164 4.804 4.640 -0.000 0.000 0.224 234 D C -0.350 175.918 176.300 -0.053 0.000 1.157 234 D CA 0.137 54.118 54.000 -0.032 0.000 0.828 234 D CB 0.923 41.691 40.800 -0.054 0.000 0.974 234 D HN 0.266 nan 8.370 nan 0.000 0.498 235 V N -1.203 118.673 119.914 -0.063 0.000 2.769 235 V HA 0.519 4.638 4.120 -0.000 0.000 0.312 235 V C 0.476 176.409 176.094 -0.267 0.000 1.061 235 V CA -1.341 60.841 62.300 -0.196 0.000 0.931 235 V CB 1.878 33.500 31.823 -0.336 0.000 1.010 235 V HN -0.021 nan 8.190 nan 0.000 0.433 236 S N 1.529 117.057 115.700 -0.286 0.000 2.562 236 S HA 0.187 4.656 4.470 -0.000 0.000 0.281 236 S C -0.049 174.236 174.600 -0.525 0.000 1.333 236 S CA -0.157 57.886 58.200 -0.262 0.000 1.052 236 S CB -0.041 63.045 63.200 -0.190 0.000 0.884 236 S HN 0.846 nan 8.310 nan 0.000 0.506 237 H N 3.196 122.099 119.070 -0.279 0.000 2.340 237 H HA 0.291 4.847 4.556 -0.000 0.000 0.233 237 H C 0.952 175.948 175.328 -0.554 0.000 1.435 237 H CA -0.220 55.591 56.048 -0.396 0.000 1.389 237 H CB 0.149 29.834 29.762 -0.127 0.000 1.491 237 H HN 0.840 nan 8.280 nan 0.000 0.518 238 G N 0.180 108.383 108.800 -0.996 0.000 2.630 238 G HA2 0.036 3.996 3.960 -0.000 0.000 0.236 238 G HA3 0.036 3.996 3.960 -0.000 0.000 0.236 238 G C -0.573 173.873 174.900 -0.757 0.000 1.248 238 G CA 0.067 44.567 45.100 -1.000 0.000 0.844 238 G HN 0.565 nan 8.290 nan 0.000 0.588 239 Y N 0.315 120.524 120.300 -0.152 0.000 2.569 239 Y HA 0.209 4.759 4.550 -0.000 0.000 0.310 239 Y C 0.300 176.273 175.900 0.121 0.000 1.021 239 Y CA -0.765 57.364 58.100 0.049 0.000 1.152 239 Y CB 0.801 39.274 38.460 0.022 0.000 1.140 239 Y HN 0.368 nan 8.280 nan 0.000 0.621 240 V N 0.699 120.806 119.914 0.321 0.000 2.763 240 V HA 0.057 4.177 4.120 -0.000 0.000 0.306 240 V C 0.580 176.808 176.094 0.224 0.000 1.059 240 V CA 0.438 62.856 62.300 0.197 0.000 1.138 240 V CB 0.806 32.652 31.823 0.038 0.000 0.940 240 V HN 0.506 nan 8.190 nan 0.000 0.489 241 T N 3.865 118.502 114.554 0.138 0.000 2.912 241 T HA 0.359 4.709 4.350 -0.000 0.000 0.326 241 T C 0.855 175.610 174.700 0.092 0.000 1.080 241 T CA -0.398 61.774 62.100 0.121 0.000 1.000 241 T CB 1.244 70.161 68.868 0.081 0.000 1.008 241 T HN 0.560 nan 8.240 nan 0.000 0.473 242 V N 1.939 121.920 119.914 0.111 0.000 2.232 242 V HA 0.206 4.326 4.120 -0.000 0.000 0.239 242 V C 1.180 177.300 176.094 0.043 0.000 1.040 242 V CA 0.738 63.086 62.300 0.081 0.000 0.996 242 V CB -0.469 31.412 31.823 0.096 0.000 0.638 242 V HN 0.504 nan 8.190 nan 0.000 0.453 243 K N 0.163 120.583 120.400 0.033 0.000 2.132 243 K HA 0.339 4.659 4.320 -0.000 0.000 0.241 243 K C -1.688 174.923 176.600 0.018 0.000 1.000 243 K CA -1.935 54.360 56.287 0.013 0.000 0.911 243 K CB 1.632 34.130 32.500 -0.004 0.000 1.093 243 K HN -0.001 nan 8.250 nan 0.000 0.460 244 P HA -0.211 nan 4.420 nan 0.000 0.206 244 P C 0.900 178.210 177.300 0.016 0.000 1.142 244 P CA 1.584 64.691 63.100 0.011 0.000 0.946 244 P CB -0.071 31.633 31.700 0.006 0.000 0.777 245 G N -1.784 107.024 108.800 0.013 0.000 2.679 245 G HA2 0.005 3.965 3.960 -0.000 0.000 0.212 245 G HA3 0.005 3.965 3.960 -0.000 0.000 0.212 245 G C 0.307 175.224 174.900 0.028 0.000 1.137 245 G CA 0.142 45.252 45.100 0.018 0.000 0.787 245 G HN 0.202 nan 8.290 nan 0.000 0.534 246 I N 0.649 121.236 120.570 0.029 0.000 2.312 246 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 246 I C 0.333 176.498 176.117 0.080 0.000 1.008 246 I CA -0.766 60.560 61.300 0.042 0.000 1.226 246 I CB 1.563 39.570 38.000 0.012 0.000 1.371 246 I HN -0.059 nan 8.210 nan 0.000 0.468 247 R N 6.364 126.932 120.500 0.113 0.000 2.803 247 R HA 0.651 4.990 4.340 -0.000 0.000 0.276 247 R C -2.013 174.422 176.300 0.225 0.000 0.978 247 R CA -0.723 55.481 56.100 0.174 0.000 0.939 247 R CB 1.779 32.184 30.300 0.174 0.000 1.179 247 R HN 0.428 nan 8.270 nan 0.000 0.472 248 L N 4.267 125.675 121.223 0.309 0.000 2.343 248 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 248 L C -0.131 176.987 176.870 0.413 0.000 0.996 248 L CA -0.581 54.462 54.840 0.338 0.000 0.831 248 L CB 1.009 43.282 42.059 0.358 0.000 1.232 248 L HN 0.739 nan 8.230 nan 0.000 0.413 249 H N 4.880 124.063 119.070 0.188 0.000 2.495 249 H HA 0.580 5.135 4.556 -0.000 0.000 0.350 249 H C -1.267 174.084 175.328 0.038 0.000 1.202 249 H CA -0.249 55.746 56.048 -0.088 0.000 1.322 249 H CB 1.695 31.345 29.762 -0.188 0.000 1.544 249 H HN 0.514 nan 8.280 nan 0.000 0.565 250 F N 0.349 119.678 119.950 -1.034 0.000 2.926 250 F HA 0.503 5.029 4.527 -0.000 0.000 0.321 250 F C -2.461 172.722 175.800 -1.029 0.000 1.168 250 F CA -0.932 56.548 58.000 -0.867 0.000 0.890 250 F CB 0.596 39.438 39.000 -0.263 0.000 1.357 250 F HN 0.261 nan 8.300 nan 0.000 0.468 251 V N 0.747 120.348 119.914 -0.522 0.000 2.914 251 V HA 0.617 4.736 4.120 -0.000 0.000 0.314 251 V C -1.208 174.844 176.094 -0.069 0.000 1.084 251 V CA -0.651 61.231 62.300 -0.696 0.000 0.963 251 V CB 1.886 33.029 31.823 -1.134 0.000 1.025 251 V HN 0.839 nan 8.190 nan 0.000 0.432 252 E N 2.667 122.775 120.200 -0.152 0.000 2.272 252 E HA 0.702 5.052 4.350 -0.000 0.000 0.269 252 E C -1.536 175.016 176.600 -0.080 0.000 0.877 252 E CA -0.610 55.794 56.400 0.007 0.000 0.755 252 E CB 1.852 31.636 29.700 0.140 0.000 1.192 252 E HN 0.558 nan 8.360 nan 0.000 0.422 253 M N 2.517 122.087 119.600 -0.049 0.000 2.365 253 M HA 0.425 4.905 4.480 -0.000 0.000 0.287 253 M C -0.588 175.699 176.300 -0.021 0.000 1.154 253 M CA -0.058 55.215 55.300 -0.044 0.000 0.941 253 M CB 1.860 34.436 32.600 -0.041 0.000 1.704 253 M HN 0.781 nan 8.290 nan 0.000 0.479 254 G N 2.023 110.810 108.800 -0.021 0.000 2.787 254 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.685 254 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.685 254 G C -0.971 173.913 174.900 -0.027 0.000 1.437 254 G CA -0.301 44.790 45.100 -0.015 0.000 0.872 254 G HN 0.755 nan 8.290 nan 0.000 0.566 255 S N 0.178 115.852 115.700 -0.043 0.000 2.462 255 S HA 0.698 5.168 4.470 -0.000 0.000 0.294 255 S C 1.208 175.755 174.600 -0.088 0.000 1.144 255 S CA 0.983 59.147 58.200 -0.061 0.000 1.088 255 S CB 0.639 63.800 63.200 -0.066 0.000 1.009 255 S HN 2.370 nan 8.310 nan 0.000 0.484 256 G N 5.520 114.273 108.800 -0.078 0.000 3.581 256 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.253 256 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.253 256 G C -2.471 172.331 174.900 -0.164 0.000 0.941 256 G CA -0.570 44.476 45.100 -0.089 0.000 1.005 256 G HN 0.558 nan 8.290 nan 0.000 0.437 257 P HA 0.475 nan 4.420 nan 0.000 0.274 257 P C -0.188 177.144 177.300 0.052 0.000 1.256 257 P CA 0.034 63.116 63.100 -0.030 0.000 0.795 257 P CB 0.890 32.589 31.700 -0.002 0.000 1.038 258 A N 1.166 123.982 122.820 -0.008 0.000 2.304 258 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 258 A C -0.340 177.178 177.584 -0.110 0.000 1.132 258 A CA -0.463 51.538 52.037 -0.061 0.000 0.819 258 A CB -0.280 18.641 19.000 -0.131 0.000 1.094 258 A HN 0.535 nan 8.150 nan 0.000 0.492 259 L N -0.127 120.997 121.223 -0.165 0.000 2.491 259 L HA 0.550 4.890 4.340 -0.000 0.000 0.267 259 L C -0.965 175.711 176.870 -0.324 0.000 0.971 259 L CA -0.565 54.118 54.840 -0.261 0.000 0.857 259 L CB 0.653 42.560 42.059 -0.253 0.000 1.226 259 L HN 0.431 nan 8.230 nan 0.000 0.408 260 C N 4.091 123.130 119.300 -0.436 0.000 2.482 260 C HA 0.470 4.930 4.460 -0.000 0.000 0.378 260 C C 0.758 175.542 174.990 -0.344 0.000 1.284 260 C CA -0.507 58.275 59.018 -0.393 0.000 1.826 260 C CB -0.103 27.357 27.740 -0.468 0.000 2.473 260 C HN 0.704 nan 8.230 nan 0.000 0.562 261 L N 3.568 124.502 121.223 -0.481 0.000 2.315 261 L HA 0.224 4.564 4.340 -0.000 0.000 0.278 261 L C -0.247 176.340 176.870 -0.472 0.000 1.088 261 L CA 0.025 54.305 54.840 -0.934 0.000 0.899 261 L CB -0.079 40.990 42.059 -1.649 0.000 1.277 261 L HN 0.782 nan 8.230 nan 0.000 0.431 262 C N 2.210 121.522 119.300 0.020 0.000 2.349 262 C HA 0.265 4.725 4.460 -0.000 0.000 0.348 262 C C 0.863 176.323 174.990 0.785 0.000 1.223 262 C CA -0.911 58.337 59.018 0.384 0.000 1.746 262 C CB -1.218 26.701 27.740 0.299 0.000 2.360 262 C HN 0.744 nan 8.230 nan 0.000 0.533 263 H N 1.135 120.601 119.070 0.659 0.000 2.639 263 H HA 0.610 5.166 4.556 -0.000 0.000 0.373 263 H C 0.611 176.027 175.328 0.146 0.000 1.372 263 H CA 0.162 56.432 56.048 0.370 0.000 1.448 263 H CB 0.621 30.488 29.762 0.175 0.000 1.544 263 H HN 0.612 nan 8.280 nan 0.000 0.615 264 G N -0.421 108.383 108.800 0.007 0.000 3.075 264 G HA2 0.341 4.301 3.960 -0.000 0.000 0.253 264 G HA3 0.341 4.301 3.960 -0.000 0.000 0.253 264 G C -1.588 173.389 174.900 0.129 0.000 1.353 264 G CA -0.991 44.137 45.100 0.046 0.000 1.051 264 G HN 0.592 nan 8.290 nan 0.000 0.553 265 F N 1.717 121.866 119.950 0.330 0.000 2.394 265 F HA 0.614 5.141 4.527 -0.000 0.000 0.340 265 F C -1.991 174.252 175.800 0.739 0.000 1.105 265 F CA -2.942 55.387 58.000 0.548 0.000 1.124 265 F CB 2.276 41.654 39.000 0.630 0.000 1.145 265 F HN 0.057 nan 8.300 nan 0.000 0.505 266 P HA 0.318 nan 4.420 nan 0.000 0.206 266 P C -1.366 176.169 177.300 0.392 0.000 1.870 266 P CA -0.129 62.717 63.100 -0.423 0.000 1.166 266 P CB 0.796 31.644 31.700 -1.421 0.000 1.760 267 E N 0.556 121.085 120.200 0.549 0.000 2.808 267 E HA 0.698 5.047 4.350 -0.000 0.000 0.213 267 E C 0.003 176.931 176.600 0.547 0.000 0.784 267 E CA -0.762 56.002 56.400 0.607 0.000 1.154 267 E CB 0.648 30.557 29.700 0.348 0.000 1.693 267 E HN 0.283 nan 8.360 nan 0.000 0.422 268 S N -0.857 114.951 115.700 0.180 0.000 2.656 268 S HA 0.132 4.602 4.470 -0.000 0.000 0.273 268 S C -0.070 174.192 174.600 -0.564 0.000 1.168 268 S CA -0.761 57.149 58.200 -0.483 0.000 0.817 268 S CB 0.172 63.095 63.200 -0.462 0.000 1.146 268 S HN 0.838 nan 8.310 nan 0.000 0.475 269 W N 0.838 121.930 121.300 -0.345 0.000 2.392 269 W HA -0.071 4.589 4.660 -0.000 0.000 0.279 269 W C 1.197 177.864 176.519 0.246 0.000 1.225 269 W CA 0.750 58.126 57.345 0.051 0.000 1.233 269 W CB -1.018 28.451 29.460 0.015 0.000 1.122 269 W HN 0.650 nan 8.180 nan 0.000 0.561 270 F N 3.392 122.624 119.950 -1.196 0.000 2.184 270 F HA -0.273 4.253 4.527 -0.000 0.000 0.301 270 F C 2.400 177.923 175.800 -0.462 0.000 1.076 270 F CA 1.701 58.974 58.000 -1.213 0.000 1.295 270 F CB -0.869 37.469 39.000 -1.103 0.000 1.026 270 F HN -0.154 nan 8.300 nan 0.000 0.494 271 S N -0.288 115.176 115.700 -0.395 0.000 2.369 271 S HA -0.309 4.161 4.470 -0.000 0.000 0.225 271 S C 1.427 175.811 174.600 -0.360 0.000 1.043 271 S CA 1.982 59.897 58.200 -0.476 0.000 1.074 271 S CB -1.283 61.543 63.200 -0.625 0.000 0.962 271 S HN 0.637 nan 8.310 nan 0.000 0.433 272 W N 3.608 124.853 121.300 -0.091 0.000 2.874 272 W HA 0.059 4.719 4.660 -0.000 0.000 0.242 272 W C 1.796 178.298 176.519 -0.028 0.000 1.285 272 W CA 0.020 57.355 57.345 -0.017 0.000 1.379 272 W CB -0.856 28.636 29.460 0.053 0.000 1.137 272 W HN 0.362 nan 8.180 nan 0.000 0.683 273 R N -0.520 119.983 120.500 0.006 0.000 2.388 273 R HA -0.239 4.101 4.340 -0.000 0.000 0.233 273 R C 0.517 176.687 176.300 -0.217 0.000 1.156 273 R CA 1.478 57.472 56.100 -0.176 0.000 1.036 273 R CB -1.040 28.856 30.300 -0.672 0.000 0.847 273 R HN 0.306 nan 8.270 nan 0.000 0.483 274 Y N 0.129 120.425 120.300 -0.006 0.000 2.430 274 Y HA 0.145 4.695 4.550 -0.000 0.000 0.254 274 Y C 1.996 177.926 175.900 0.049 0.000 1.088 274 Y CA -0.177 57.923 58.100 0.000 0.000 1.267 274 Y CB 0.661 39.097 38.460 -0.039 0.000 1.204 274 Y HN 0.075 nan 8.280 nan 0.000 0.515 275 Q N -0.160 119.794 119.800 0.256 0.000 2.392 275 Q HA 0.113 4.453 4.340 -0.000 0.000 0.219 275 Q C 1.871 177.954 176.000 0.138 0.000 0.895 275 Q CA 0.553 56.475 55.803 0.200 0.000 0.929 275 Q CB 0.131 29.021 28.738 0.254 0.000 1.077 275 Q HN 0.500 nan 8.270 nan 0.000 0.532 276 I N 2.133 122.791 120.570 0.147 0.000 2.052 276 I HA -0.236 3.934 4.170 -0.000 0.000 0.235 276 I C -0.596 175.562 176.117 0.068 0.000 1.046 276 I CA 1.630 62.983 61.300 0.090 0.000 1.308 276 I CB -1.326 36.751 38.000 0.128 0.000 1.031 276 I HN 0.106 nan 8.210 nan 0.000 0.395 277 P HA -0.243 nan 4.420 nan 0.000 0.213 277 P C 1.483 178.828 177.300 0.075 0.000 1.170 277 P CA 2.276 65.417 63.100 0.067 0.000 0.902 277 P CB -0.156 31.588 31.700 0.074 0.000 0.789 278 A N -0.596 122.275 122.820 0.085 0.000 1.903 278 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 278 A C 2.295 179.936 177.584 0.095 0.000 1.191 278 A CA 1.959 54.049 52.037 0.087 0.000 0.638 278 A CB -1.809 17.247 19.000 0.094 0.000 0.823 278 A HN 0.138 nan 8.150 nan 0.000 0.451 279 L N -1.346 119.927 121.223 0.083 0.000 2.141 279 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 279 L C 3.082 180.059 176.870 0.178 0.000 1.094 279 L CA 0.814 55.705 54.840 0.086 0.000 0.763 279 L CB -0.599 41.457 42.059 -0.006 0.000 0.908 279 L HN 0.494 nan 8.230 nan 0.000 0.437 280 A N -0.229 122.658 122.820 0.113 0.000 1.858 280 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 280 A C 2.186 179.824 177.584 0.091 0.000 1.190 280 A CA 1.587 53.679 52.037 0.093 0.000 0.617 280 A CB -0.501 18.526 19.000 0.045 0.000 0.827 280 A HN 0.321 nan 8.150 nan 0.000 0.443 281 Q N -0.541 119.307 119.800 0.082 0.000 2.061 281 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 281 Q C 2.306 178.358 176.000 0.085 0.000 0.984 281 Q CA 1.883 57.724 55.803 0.063 0.000 0.846 281 Q CB -0.576 28.200 28.738 0.063 0.000 0.902 281 Q HN 0.661 nan 8.270 nan 0.000 0.421 282 A N -0.343 122.572 122.820 0.160 0.000 1.954 282 A HA -0.148 4.172 4.320 -0.000 0.000 0.222 282 A C 1.539 179.224 177.584 0.169 0.000 1.199 282 A CA 1.868 54.056 52.037 0.253 0.000 0.657 282 A CB -0.849 18.390 19.000 0.398 0.000 0.823 282 A HN 0.639 nan 8.150 nan 0.000 0.463 283 G N -3.560 105.284 108.800 0.073 0.000 2.244 283 G HA2 0.138 4.098 3.960 -0.000 0.000 0.163 283 G HA3 0.138 4.098 3.960 -0.000 0.000 0.163 283 G C -0.312 174.164 174.900 -0.707 0.000 1.064 283 G CA -0.221 44.691 45.100 -0.313 0.000 0.757 283 G HN 0.498 nan 8.290 nan 0.000 0.484 284 F N -0.735 119.182 119.950 -0.054 0.000 2.613 284 F HA 0.699 5.225 4.527 -0.000 0.000 0.314 284 F C 0.382 176.137 175.800 -0.075 0.000 1.075 284 F CA -1.411 56.546 58.000 -0.072 0.000 0.945 284 F CB 1.501 40.450 39.000 -0.085 0.000 1.310 284 F HN 0.039 nan 8.300 nan 0.000 0.467 285 R N 2.039 122.599 120.500 0.101 0.000 2.205 285 R HA 0.579 4.919 4.340 -0.000 0.000 0.342 285 R C -1.517 174.776 176.300 -0.011 0.000 1.058 285 R CA -0.200 55.909 56.100 0.014 0.000 0.904 285 R CB 0.447 30.729 30.300 -0.030 0.000 1.089 285 R HN 0.574 nan 8.270 nan 0.000 0.471 286 V N 6.121 126.020 119.914 -0.025 0.000 2.649 286 V HA 0.180 4.300 4.120 -0.000 0.000 0.292 286 V C 0.121 176.147 176.094 -0.114 0.000 1.055 286 V CA -0.366 61.883 62.300 -0.085 0.000 1.023 286 V CB 1.389 33.170 31.823 -0.069 0.000 0.992 286 V HN 0.656 nan 8.190 nan 0.000 0.480 287 L N 4.392 125.503 121.223 -0.187 0.000 2.502 287 L HA 0.476 4.816 4.340 -0.000 0.000 0.249 287 L C 0.539 177.287 176.870 -0.204 0.000 1.446 287 L CA 0.092 54.799 54.840 -0.222 0.000 0.887 287 L CB 1.094 42.911 42.059 -0.404 0.000 1.126 287 L HN 0.703 nan 8.230 nan 0.000 0.509 288 A N 2.497 125.234 122.820 -0.139 0.000 2.545 288 A HA 0.452 4.772 4.320 -0.000 0.000 0.297 288 A C 0.361 177.947 177.584 0.004 0.000 1.340 288 A CA -0.002 51.959 52.037 -0.127 0.000 1.016 288 A CB -0.797 18.207 19.000 0.008 0.000 1.122 288 A HN 0.504 nan 8.150 nan 0.000 0.537 289 I N 1.341 121.915 120.570 0.006 0.000 2.662 289 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 289 I C 0.227 176.454 176.117 0.183 0.000 1.046 289 I CA -0.210 61.123 61.300 0.055 0.000 1.361 289 I CB 0.818 38.768 38.000 -0.083 0.000 1.429 289 I HN 0.413 nan 8.210 nan 0.000 0.558 290 D N 5.668 126.159 120.400 0.153 0.000 2.380 290 D HA 0.222 4.862 4.640 -0.000 0.000 0.230 290 D C -0.206 176.298 176.300 0.339 0.000 1.154 290 D CA -0.450 53.678 54.000 0.213 0.000 0.859 290 D CB 0.706 41.689 40.800 0.306 0.000 1.045 290 D HN 0.166 nan 8.370 nan 0.000 0.495 291 M N 1.891 121.853 119.600 0.604 0.000 2.248 291 M HA -0.052 4.428 4.480 -0.000 0.000 0.343 291 M C 0.687 177.338 176.300 0.585 0.000 1.243 291 M CA 0.161 55.729 55.300 0.447 0.000 1.025 291 M CB -0.319 32.218 32.600 -0.105 0.000 1.759 291 M HN 0.247 nan 8.290 nan 0.000 0.452 292 K N 1.598 122.293 120.400 0.491 0.000 2.547 292 K HA -0.005 4.315 4.320 -0.000 0.000 0.275 292 K C 1.078 178.049 176.600 0.619 0.000 1.001 292 K CA 1.411 57.917 56.287 0.366 0.000 1.111 292 K CB -0.073 32.465 32.500 0.064 0.000 0.832 292 K HN 0.888 nan 8.250 nan 0.000 0.485 293 G N 2.393 111.454 108.800 0.436 0.000 2.241 293 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 293 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 293 G C -0.684 174.356 174.900 0.233 0.000 0.998 293 G CA 0.335 45.733 45.100 0.497 0.000 0.621 293 G HN 0.562 nan 8.290 nan 0.000 0.519 294 Y N 0.229 120.636 120.300 0.179 0.000 2.487 294 Y HA 0.559 5.109 4.550 -0.000 0.000 0.337 294 Y C 1.525 177.384 175.900 -0.068 0.000 1.076 294 Y CA 0.233 58.314 58.100 -0.032 0.000 1.115 294 Y CB 1.313 39.820 38.460 0.078 0.000 1.235 294 Y HN 1.018 nan 8.280 nan 0.000 0.468 295 G N 1.504 110.234 108.800 -0.117 0.000 2.672 295 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.332 295 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.332 295 G C 0.665 175.568 174.900 0.005 0.000 1.213 295 G CA 1.008 46.046 45.100 -0.104 0.000 0.980 295 G HN 0.667 nan 8.290 nan 0.000 0.548 296 D N 1.494 121.982 120.400 0.146 0.000 2.349 296 D HA 0.296 4.936 4.640 -0.000 0.000 0.214 296 D C 0.958 177.390 176.300 0.219 0.000 1.063 296 D CA 0.792 54.855 54.000 0.105 0.000 0.847 296 D CB 0.288 40.982 40.800 -0.176 0.000 0.933 296 D HN 0.314 nan 8.370 nan 0.000 0.513 297 S N -0.078 115.772 115.700 0.250 0.000 2.646 297 S HA 0.303 4.773 4.470 -0.000 0.000 0.276 297 S C 0.377 175.084 174.600 0.178 0.000 1.222 297 S CA -0.701 57.647 58.200 0.248 0.000 1.014 297 S CB 1.807 65.165 63.200 0.263 0.000 0.991 297 S HN -0.070 nan 8.310 nan 0.000 0.533 298 S N 2.384 118.175 115.700 0.151 0.000 2.546 298 S HA 0.207 4.677 4.470 -0.000 0.000 0.290 298 S C 0.453 175.124 174.600 0.119 0.000 1.290 298 S CA -0.454 57.811 58.200 0.108 0.000 1.069 298 S CB 0.237 63.485 63.200 0.079 0.000 0.846 298 S HN 0.771 nan 8.310 nan 0.000 0.495 299 S N 3.596 119.372 115.700 0.126 0.000 2.158 299 S HA 0.393 4.863 4.470 -0.000 0.000 0.160 299 S C -2.040 172.682 174.600 0.203 0.000 1.693 299 S CA -1.329 56.994 58.200 0.204 0.000 1.251 299 S CB 0.249 63.550 63.200 0.168 0.000 1.153 299 S HN 0.448 nan 8.310 nan 0.000 0.439 300 P HA 0.285 nan 4.420 nan 0.000 0.285 300 P C -2.149 175.269 177.300 0.197 0.000 1.282 300 P CA -0.619 62.584 63.100 0.172 0.000 0.778 300 P CB -0.031 31.750 31.700 0.135 0.000 1.222 301 P HA 0.169 nan 4.420 nan 0.000 0.238 301 P C -0.015 177.331 177.300 0.075 0.000 1.153 301 P CA 0.481 63.629 63.100 0.079 0.000 0.900 301 P CB 0.235 31.966 31.700 0.051 0.000 1.009 302 E N 0.061 120.323 120.200 0.103 0.000 2.565 302 E HA -0.062 4.288 4.350 -0.000 0.000 0.268 302 E C 1.383 178.050 176.600 0.112 0.000 1.000 302 E CA 0.403 56.855 56.400 0.088 0.000 0.964 302 E CB 0.196 29.943 29.700 0.078 0.000 0.955 302 E HN 0.035 nan 8.360 nan 0.000 0.459 303 I N 2.330 122.935 120.570 0.058 0.000 2.499 303 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 303 I C 2.040 178.198 176.117 0.068 0.000 1.085 303 I CA 0.757 62.080 61.300 0.037 0.000 1.422 303 I CB -1.451 36.551 38.000 0.003 0.000 1.165 303 I HN 0.596 nan 8.210 nan 0.000 0.440 304 E N 1.838 122.056 120.200 0.031 0.000 2.233 304 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 304 E C 1.662 178.250 176.600 -0.020 0.000 1.004 304 E CA 1.480 57.876 56.400 -0.007 0.000 0.819 304 E CB -0.748 28.941 29.700 -0.019 0.000 0.738 304 E HN 0.418 nan 8.360 nan 0.000 0.478 305 E N 0.375 120.603 120.200 0.046 0.000 2.187 305 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 305 E C 0.673 177.186 176.600 -0.145 0.000 1.004 305 E CA 1.139 57.535 56.400 -0.007 0.000 0.813 305 E CB -0.332 29.439 29.700 0.117 0.000 0.736 305 E HN 0.490 nan 8.360 nan 0.000 0.468 306 Y N -0.699 119.455 120.300 -0.243 0.000 2.625 306 Y HA 0.508 5.058 4.550 -0.000 0.000 0.285 306 Y C 0.416 176.027 175.900 -0.483 0.000 1.168 306 Y CA -0.272 57.562 58.100 -0.443 0.000 1.250 306 Y CB -0.593 37.547 38.460 -0.534 0.000 1.130 306 Y HN -0.039 nan 8.280 nan 0.000 0.526 307 A N 0.303 122.988 122.820 -0.225 0.000 2.555 307 A HA 0.012 4.331 4.320 -0.000 0.000 0.233 307 A C 1.665 179.024 177.584 -0.375 0.000 1.060 307 A CA -0.078 51.806 52.037 -0.253 0.000 0.759 307 A CB 0.307 19.152 19.000 -0.259 0.000 0.995 307 A HN 0.469 nan 8.150 nan 0.000 0.506 308 M N 0.692 120.105 119.600 -0.311 0.000 2.156 308 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 308 M C 1.782 177.639 176.300 -0.738 0.000 1.067 308 M CA 2.146 57.279 55.300 -0.279 0.000 1.131 308 M CB -0.692 31.996 32.600 0.148 0.000 1.368 308 M HN 0.971 nan 8.290 nan 0.000 0.416 309 E N -0.337 119.018 120.200 -1.409 0.000 2.065 309 E HA -0.279 4.071 4.350 -0.000 0.000 0.201 309 E C 1.825 177.820 176.600 -1.009 0.000 1.016 309 E CA 1.865 56.853 56.400 -2.354 0.000 0.818 309 E CB -0.352 28.134 29.700 -2.023 0.000 0.749 309 E HN 0.410 nan 8.360 nan 0.000 0.453 310 L N 1.062 121.897 121.223 -0.646 0.000 1.943 310 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 310 L C 2.437 179.114 176.870 -0.322 0.000 1.074 310 L CA 1.778 56.381 54.840 -0.396 0.000 0.759 310 L CB -1.101 40.757 42.059 -0.335 0.000 0.888 310 L HN 0.332 nan 8.230 nan 0.000 0.433 311 L N -1.177 119.831 121.223 -0.358 0.000 2.054 311 L HA -0.416 3.924 4.340 -0.000 0.000 0.220 311 L C 2.650 179.430 176.870 -0.150 0.000 1.081 311 L CA 1.959 56.626 54.840 -0.288 0.000 0.780 311 L CB -1.258 40.561 42.059 -0.400 0.000 0.893 311 L HN 0.443 nan 8.230 nan 0.000 0.438 312 C N -0.571 118.667 119.300 -0.105 0.000 2.453 312 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 312 C C 2.907 177.913 174.990 0.028 0.000 1.262 312 C CA 0.899 59.956 59.018 0.066 0.000 1.718 312 C CB -0.499 27.435 27.740 0.323 0.000 2.031 312 C HN 0.490 nan 8.230 nan 0.000 0.480 313 K N 1.922 122.323 120.400 0.001 0.000 2.020 313 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 313 K C 1.711 178.235 176.600 -0.126 0.000 1.050 313 K CA 2.044 58.291 56.287 -0.066 0.000 0.929 313 K CB -0.666 31.805 32.500 -0.050 0.000 0.714 313 K HN 0.594 nan 8.250 nan 0.000 0.443 314 E N -0.398 119.745 120.200 -0.095 0.000 2.085 314 E HA -0.204 4.145 4.350 -0.000 0.000 0.194 314 E C 1.978 178.571 176.600 -0.012 0.000 0.994 314 E CA 1.355 57.725 56.400 -0.050 0.000 0.801 314 E CB -0.257 29.404 29.700 -0.065 0.000 0.743 314 E HN 0.216 nan 8.360 nan 0.000 0.453 315 M N 0.771 120.344 119.600 -0.045 0.000 2.255 315 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 315 M C 2.042 178.384 176.300 0.070 0.000 1.071 315 M CA 1.151 56.445 55.300 -0.009 0.000 1.074 315 M CB -0.359 32.218 32.600 -0.039 0.000 1.384 315 M HN -0.024 nan 8.290 nan 0.000 0.415 316 V N -1.011 118.862 119.914 -0.069 0.000 2.331 316 V HA -0.202 3.918 4.120 -0.000 0.000 0.242 316 V C 2.042 178.140 176.094 0.007 0.000 1.034 316 V CA 2.017 64.255 62.300 -0.104 0.000 1.027 316 V CB -0.861 30.708 31.823 -0.423 0.000 0.667 316 V HN 0.418 nan 8.190 nan 0.000 0.457 317 T N 0.455 115.008 114.554 -0.001 0.000 2.822 317 T HA -0.266 4.084 4.350 -0.000 0.000 0.270 317 T C 1.634 176.395 174.700 0.102 0.000 1.064 317 T CA 2.031 64.151 62.100 0.034 0.000 1.131 317 T CB -0.470 68.416 68.868 0.031 0.000 0.858 317 T HN 0.423 nan 8.240 nan 0.000 0.483 318 F N 1.685 121.620 119.950 -0.024 0.000 2.075 318 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 318 F C 2.025 177.803 175.800 -0.037 0.000 1.113 318 F CA 1.126 59.117 58.000 -0.016 0.000 1.218 318 F CB -0.379 38.618 39.000 -0.006 0.000 0.984 318 F HN 0.022 nan 8.300 nan 0.000 0.472 319 L N -0.120 121.200 121.223 0.161 0.000 1.989 319 L HA -0.251 4.088 4.340 -0.000 0.000 0.211 319 L C 2.202 179.035 176.870 -0.063 0.000 1.071 319 L CA 1.962 56.810 54.840 0.013 0.000 0.749 319 L CB -1.334 40.773 42.059 0.081 0.000 0.890 319 L HN 0.141 nan 8.230 nan 0.000 0.431 320 D N 0.326 120.712 120.400 -0.023 0.000 2.177 320 D HA -0.230 4.410 4.640 -0.000 0.000 0.189 320 D C 2.112 178.376 176.300 -0.060 0.000 1.002 320 D CA 1.474 55.455 54.000 -0.032 0.000 0.845 320 D CB -0.099 40.693 40.800 -0.014 0.000 0.960 320 D HN 0.019 nan 8.370 nan 0.000 0.447 321 K N 0.305 120.661 120.400 -0.073 0.000 2.001 321 K HA -0.064 4.256 4.320 -0.000 0.000 0.214 321 K C 2.115 178.633 176.600 -0.136 0.000 1.050 321 K CA 0.610 56.843 56.287 -0.089 0.000 0.934 321 K CB -0.819 31.626 32.500 -0.091 0.000 0.718 321 K HN 0.111 nan 8.250 nan 0.000 0.443 322 L N -0.515 120.564 121.223 -0.241 0.000 2.633 322 L HA 0.005 4.345 4.340 -0.000 0.000 0.235 322 L C 0.748 177.523 176.870 -0.159 0.000 1.163 322 L CA 0.817 55.506 54.840 -0.252 0.000 0.859 322 L CB -0.265 41.517 42.059 -0.461 0.000 0.973 322 L HN 0.596 nan 8.230 nan 0.000 0.451 323 G N -0.005 108.725 108.800 -0.118 0.000 2.168 323 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 323 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 323 G C 0.338 175.196 174.900 -0.069 0.000 0.997 323 G CA 0.248 45.302 45.100 -0.077 0.000 0.708 323 G HN 0.263 nan 8.290 nan 0.000 0.520 324 I N 0.457 120.977 120.570 -0.084 0.000 2.331 324 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 324 I C -1.117 174.980 176.117 -0.033 0.000 0.998 324 I CA -2.153 59.106 61.300 -0.068 0.000 1.267 324 I CB 1.406 39.347 38.000 -0.098 0.000 1.386 324 I HN -0.107 nan 8.210 nan 0.000 0.476 325 P HA 0.145 nan 4.420 nan 0.000 0.261 325 P C -0.111 177.207 177.300 0.030 0.000 1.268 325 P CA 0.413 63.518 63.100 0.008 0.000 0.833 325 P CB 0.977 32.682 31.700 0.008 0.000 1.231 326 Q N -1.241 118.566 119.800 0.012 0.000 2.617 326 Q HA 0.662 5.001 4.340 -0.000 0.000 0.270 326 Q C -1.798 174.181 176.000 -0.036 0.000 0.967 326 Q CA -0.647 55.174 55.803 0.030 0.000 0.887 326 Q CB 2.535 31.295 28.738 0.036 0.000 1.516 326 Q HN 0.016 nan 8.270 nan 0.000 0.395 327 A N 0.998 123.776 122.820 -0.071 0.000 2.583 327 A HA 0.799 5.119 4.320 -0.000 0.000 0.289 327 A C -1.585 175.872 177.584 -0.211 0.000 1.151 327 A CA -0.453 51.443 52.037 -0.235 0.000 0.695 327 A CB 1.782 20.474 19.000 -0.514 0.000 1.290 327 A HN 0.323 nan 8.150 nan 0.000 0.419 328 V N 1.303 121.060 119.914 -0.261 0.000 2.294 328 V HA 0.356 4.476 4.120 -0.000 0.000 0.272 328 V C -1.158 174.824 176.094 -0.186 0.000 1.027 328 V CA -0.006 62.217 62.300 -0.129 0.000 0.823 328 V CB -0.091 31.641 31.823 -0.152 0.000 1.030 328 V HN 0.589 nan 8.190 nan 0.000 0.457 329 F N 6.217 126.168 119.950 0.001 0.000 2.438 329 F HA 0.470 4.996 4.527 -0.000 0.000 0.356 329 F C 0.444 176.217 175.800 -0.045 0.000 1.099 329 F CA -0.360 57.622 58.000 -0.030 0.000 1.185 329 F CB 1.002 39.994 39.000 -0.013 0.000 1.115 329 F HN 0.250 nan 8.300 nan 0.000 0.526 330 I N 4.155 124.789 120.570 0.106 0.000 2.668 330 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 330 I C 0.415 176.616 176.117 0.141 0.000 1.139 330 I CA -0.419 60.911 61.300 0.050 0.000 1.133 330 I CB 0.316 38.312 38.000 -0.008 0.000 1.327 330 I HN 0.543 nan 8.210 nan 0.000 0.520 331 G N 3.965 112.855 108.800 0.149 0.000 2.504 331 G HA2 0.423 4.383 3.960 -0.000 0.000 0.288 331 G HA3 0.423 4.383 3.960 -0.000 0.000 0.288 331 G C -0.818 174.308 174.900 0.377 0.000 1.182 331 G CA -0.069 45.212 45.100 0.301 0.000 0.894 331 G HN 0.664 nan 8.290 nan 0.000 0.521 332 H N 0.290 119.543 119.070 0.306 0.000 2.930 332 H HA 0.366 4.922 4.556 -0.000 0.000 0.371 332 H C -0.081 175.370 175.328 0.206 0.000 1.169 332 H CA 0.134 56.295 56.048 0.190 0.000 1.157 332 H CB 2.333 32.114 29.762 0.031 0.000 1.789 332 H HN 0.711 nan 8.280 nan 0.000 0.547 333 D N 1.736 121.933 120.400 -0.338 0.000 3.396 333 D HA -0.308 4.332 4.640 -0.000 0.000 0.196 333 D C 0.946 177.373 176.300 0.210 0.000 1.347 333 D CA 1.616 55.594 54.000 -0.037 0.000 1.106 333 D CB -0.978 39.918 40.800 0.159 0.000 0.619 333 D HN 0.779 nan 8.370 nan 0.000 0.728 334 W N 0.409 121.803 121.300 0.158 0.000 2.424 334 W HA 0.000 4.660 4.660 -0.000 0.000 0.264 334 W C 2.480 179.167 176.519 0.280 0.000 1.229 334 W CA 1.410 58.873 57.345 0.197 0.000 1.208 334 W CB -0.354 29.196 29.460 0.150 0.000 1.127 334 W HN 0.431 nan 8.180 nan 0.000 0.588 335 A N -0.319 122.765 122.820 0.440 0.000 1.898 335 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 335 A C 2.188 179.970 177.584 0.329 0.000 1.183 335 A CA 1.502 53.774 52.037 0.391 0.000 0.622 335 A CB -1.406 17.768 19.000 0.291 0.000 0.824 335 A HN 0.280 nan 8.150 nan 0.000 0.444 336 G N -0.088 108.874 108.800 0.269 0.000 2.442 336 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 336 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 336 G C 1.501 176.556 174.900 0.258 0.000 1.141 336 G CA 1.366 46.551 45.100 0.141 0.000 0.763 336 G HN 0.299 nan 8.290 nan 0.000 0.554 337 V N 1.250 121.404 119.914 0.400 0.000 2.252 337 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 337 V C 2.708 179.079 176.094 0.462 0.000 1.056 337 V CA 2.464 65.054 62.300 0.485 0.000 1.022 337 V CB -0.566 31.546 31.823 0.482 0.000 0.641 337 V HN 0.551 nan 8.190 nan 0.000 0.445 338 M N -0.359 119.496 119.600 0.425 0.000 2.086 338 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 338 M C 2.210 178.621 176.300 0.184 0.000 1.067 338 M CA 2.008 57.505 55.300 0.328 0.000 1.116 338 M CB -0.300 32.492 32.600 0.319 0.000 1.348 338 M HN 0.184 nan 8.290 nan 0.000 0.407 339 V N 0.193 120.165 119.914 0.097 0.000 2.324 339 V HA -0.326 3.793 4.120 -0.000 0.000 0.250 339 V C 1.797 177.826 176.094 -0.108 0.000 1.060 339 V CA 2.478 64.727 62.300 -0.085 0.000 1.042 339 V CB -0.763 30.977 31.823 -0.139 0.000 0.650 339 V HN 0.709 nan 8.190 nan 0.000 0.450 340 W N -0.497 120.850 121.300 0.079 0.000 2.418 340 W HA -0.058 4.602 4.660 -0.000 0.000 0.292 340 W C 2.500 178.975 176.519 -0.073 0.000 1.213 340 W CA 0.700 58.018 57.345 -0.044 0.000 1.283 340 W CB -0.391 29.057 29.460 -0.020 0.000 1.119 340 W HN 0.201 nan 8.180 nan 0.000 0.542 341 N N -0.072 118.816 118.700 0.314 0.000 2.244 341 N HA -0.143 4.596 4.740 -0.000 0.000 0.183 341 N C 1.648 177.326 175.510 0.279 0.000 1.016 341 N CA 1.157 54.394 53.050 0.313 0.000 0.866 341 N CB -0.351 38.401 38.487 0.440 0.000 0.980 341 N HN 0.075 nan 8.380 nan 0.000 0.430 342 M N 1.451 121.155 119.600 0.173 0.000 2.115 342 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 342 M C 2.293 178.653 176.300 0.100 0.000 1.071 342 M CA 1.201 56.549 55.300 0.081 0.000 1.100 342 M CB -1.531 30.873 32.600 -0.326 0.000 1.292 342 M HN 0.113 nan 8.290 nan 0.000 0.415 343 A N -0.466 122.376 122.820 0.038 0.000 1.958 343 A HA -0.213 4.106 4.320 -0.000 0.000 0.221 343 A C 2.263 179.826 177.584 -0.035 0.000 1.178 343 A CA 1.960 54.023 52.037 0.043 0.000 0.642 343 A CB -1.045 18.002 19.000 0.078 0.000 0.816 343 A HN 0.499 nan 8.150 nan 0.000 0.453 344 L N -2.614 118.540 121.223 -0.115 0.000 2.109 344 L HA 0.106 4.445 4.340 -0.000 0.000 0.207 344 L C 1.940 178.510 176.870 -0.499 0.000 1.086 344 L CA 1.781 56.423 54.840 -0.329 0.000 0.760 344 L CB -0.291 41.512 42.059 -0.427 0.000 0.910 344 L HN 0.323 nan 8.230 nan 0.000 0.437 345 F N -1.969 117.817 119.950 -0.274 0.000 2.656 345 F HA 0.182 4.709 4.527 -0.000 0.000 0.291 345 F C -0.096 175.309 175.800 -0.658 0.000 1.122 345 F CA -0.036 57.657 58.000 -0.510 0.000 1.427 345 F CB 0.247 38.853 39.000 -0.657 0.000 1.125 345 F HN -0.096 nan 8.300 nan 0.000 0.583 346 Y N -0.407 119.996 120.300 0.172 0.000 2.541 346 Y HA 0.326 4.876 4.550 -0.000 0.000 0.350 346 Y C -2.214 173.739 175.900 0.088 0.000 1.075 346 Y CA -2.723 55.454 58.100 0.128 0.000 1.302 346 Y CB 0.413 38.952 38.460 0.131 0.000 1.094 346 Y HN -0.168 nan 8.280 nan 0.000 0.579 347 P HA 0.026 nan 4.420 nan 0.000 0.226 347 P C 0.792 178.178 177.300 0.144 0.000 1.161 347 P CA 0.933 64.108 63.100 0.124 0.000 0.804 347 P CB 0.743 32.480 31.700 0.061 0.000 0.829 348 E N 0.276 120.568 120.200 0.154 0.000 2.017 348 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 348 E C 1.998 178.686 176.600 0.146 0.000 0.997 348 E CA 1.112 57.591 56.400 0.133 0.000 0.804 348 E CB -0.504 29.273 29.700 0.128 0.000 0.757 348 E HN 0.081 nan 8.360 nan 0.000 0.448 349 R N 0.444 121.056 120.500 0.187 0.000 2.328 349 R HA 0.045 4.385 4.340 -0.000 0.000 0.207 349 R C -0.040 176.424 176.300 0.274 0.000 1.056 349 R CA 0.282 56.503 56.100 0.202 0.000 1.016 349 R CB -0.467 29.955 30.300 0.204 0.000 0.872 349 R HN 0.079 nan 8.270 nan 0.000 0.471 350 V N 2.274 122.346 119.914 0.263 0.000 2.370 350 V HA 0.170 4.290 4.120 -0.000 0.000 0.283 350 V C 1.229 177.437 176.094 0.190 0.000 1.023 350 V CA -0.569 61.913 62.300 0.303 0.000 0.857 350 V CB 1.779 33.772 31.823 0.283 0.000 0.985 350 V HN 0.066 nan 8.190 nan 0.000 0.443 351 R N 4.589 125.175 120.500 0.144 0.000 2.112 351 R HA 0.486 4.826 4.340 -0.000 0.000 0.216 351 R C 0.427 176.786 176.300 0.098 0.000 1.080 351 R CA 1.346 57.497 56.100 0.085 0.000 0.996 351 R CB 0.250 30.567 30.300 0.028 0.000 0.902 351 R HN 0.782 nan 8.270 nan 0.000 0.449 352 A N -0.680 122.222 122.820 0.136 0.000 2.612 352 A HA 0.639 4.959 4.320 -0.000 0.000 0.293 352 A C -1.665 176.122 177.584 0.339 0.000 1.075 352 A CA -0.565 51.607 52.037 0.224 0.000 0.680 352 A CB 1.687 20.721 19.000 0.055 0.000 1.279 352 A HN 0.007 nan 8.150 nan 0.000 0.411 353 V N -0.627 119.537 119.914 0.418 0.000 2.789 353 V HA 0.922 5.042 4.120 -0.000 0.000 0.311 353 V C 0.063 176.114 176.094 -0.072 0.000 1.073 353 V CA -0.221 62.172 62.300 0.156 0.000 0.921 353 V CB 1.548 33.312 31.823 -0.100 0.000 1.009 353 V HN 1.958 nan 8.190 nan 0.000 0.426 354 A N 1.921 124.557 122.820 -0.306 0.000 2.427 354 A HA 0.868 5.188 4.320 -0.000 0.000 0.298 354 A C -0.657 176.658 177.584 -0.449 0.000 1.036 354 A CA -0.469 51.271 52.037 -0.495 0.000 0.701 354 A CB 2.088 20.810 19.000 -0.463 0.000 1.250 354 A HN 0.778 nan 8.150 nan 0.000 0.412 355 S N 1.271 116.752 115.700 -0.365 0.000 2.532 355 S HA 0.792 5.262 4.470 -0.000 0.000 0.301 355 S C -0.975 173.687 174.600 0.104 0.000 1.083 355 S CA -0.520 57.604 58.200 -0.127 0.000 1.025 355 S CB 0.742 64.057 63.200 0.193 0.000 1.056 355 S HN 0.610 nan 8.310 nan 0.000 0.494 356 L N 4.349 125.678 121.223 0.176 0.000 2.319 356 L HA 0.403 4.743 4.340 -0.000 0.000 0.281 356 L C 0.228 177.203 176.870 0.175 0.000 1.005 356 L CA -0.422 54.545 54.840 0.212 0.000 0.828 356 L CB 1.177 43.442 42.059 0.343 0.000 1.227 356 L HN 0.909 nan 8.230 nan 0.000 0.415 357 N N 0.226 119.021 118.700 0.159 0.000 2.124 357 N HA -0.218 4.522 4.740 -0.000 0.000 0.216 357 N C 0.385 175.979 175.510 0.140 0.000 0.473 357 N CA 2.238 55.362 53.050 0.124 0.000 4.165 357 N CB -1.311 37.227 38.487 0.086 0.000 0.769 357 N HN 0.597 nan 8.380 nan 0.000 0.240 358 T N 4.229 118.876 114.554 0.156 0.000 2.867 358 T HA 0.324 4.674 4.350 -0.000 0.000 0.297 358 T C -2.324 172.603 174.700 0.378 0.000 0.989 358 T CA -0.329 61.902 62.100 0.219 0.000 1.159 358 T CB 1.281 70.293 68.868 0.240 0.000 0.928 358 T HN 0.221 nan 8.240 nan 0.000 0.538 359 P HA 0.403 nan 4.420 nan 0.000 0.286 359 P C -0.832 176.431 177.300 -0.061 0.000 1.292 359 P CA -1.103 62.049 63.100 0.086 0.000 0.842 359 P CB 0.580 32.292 31.700 0.019 0.000 1.207 360 F N 1.568 121.151 119.950 -0.612 0.000 2.404 360 F HA 0.394 4.921 4.527 -0.000 0.000 0.359 360 F C -0.089 175.502 175.800 -0.348 0.000 1.134 360 F CA -0.826 56.749 58.000 -0.708 0.000 1.160 360 F CB -0.314 38.094 39.000 -0.986 0.000 1.186 360 F HN 0.067 nan 8.300 nan 0.000 0.526 361 M N 8.583 127.860 119.600 -0.539 0.000 2.901 361 M HA 0.297 4.777 4.480 -0.000 0.000 0.294 361 M C -2.156 173.788 176.300 -0.592 0.000 1.255 361 M CA -1.706 53.322 55.300 -0.454 0.000 1.274 361 M CB 0.073 32.580 32.600 -0.156 0.000 1.173 361 M HN 0.339 nan 8.290 nan 0.000 0.525 362 P HA 0.124 nan 4.420 nan 0.000 0.270 362 P C -2.512 174.623 177.300 -0.275 0.000 1.221 362 P CA -0.521 62.119 63.100 -0.766 0.000 0.788 362 P CB -0.308 30.795 31.700 -0.995 0.000 0.904 363 P HA 0.300 nan 4.420 nan 0.000 0.296 363 P C -1.374 175.958 177.300 0.054 0.000 1.301 363 P CA -0.616 62.508 63.100 0.039 0.000 0.862 363 P CB 0.979 32.672 31.700 -0.013 0.000 1.046 364 D N 4.514 125.037 120.400 0.204 0.000 2.316 364 D HA 0.160 4.800 4.640 -0.000 0.000 0.245 364 D C -1.366 175.114 176.300 0.301 0.000 1.171 364 D CA -1.617 52.493 54.000 0.183 0.000 0.856 364 D CB 0.348 41.240 40.800 0.154 0.000 1.090 364 D HN 0.227 nan 8.370 nan 0.000 0.476 365 P HA -0.165 nan 4.420 nan 0.000 0.221 365 P C -0.166 177.319 177.300 0.310 0.000 1.145 365 P CA 1.125 64.307 63.100 0.137 0.000 0.795 365 P CB 0.143 31.846 31.700 0.004 0.000 0.775 366 D N -0.935 119.601 120.400 0.227 0.000 2.755 366 D HA 0.243 4.883 4.640 -0.000 0.000 0.257 366 D C -0.386 176.000 176.300 0.144 0.000 1.291 366 D CA -0.770 53.333 54.000 0.172 0.000 0.836 366 D CB -0.184 40.675 40.800 0.098 0.000 1.059 366 D HN -0.066 nan 8.370 nan 0.000 0.486 367 V N 0.395 120.428 119.914 0.197 0.000 2.614 367 V HA 0.231 4.351 4.120 -0.000 0.000 0.281 367 V C 0.035 176.103 176.094 -0.044 0.000 1.031 367 V CA -1.206 61.142 62.300 0.080 0.000 0.899 367 V CB 1.394 33.270 31.823 0.090 0.000 1.037 367 V HN 0.256 nan 8.190 nan 0.000 0.456 368 S N 7.433 123.012 115.700 -0.203 0.000 2.626 368 S HA 0.088 4.558 4.470 -0.000 0.000 0.303 368 S C -0.250 174.090 174.600 -0.433 0.000 1.256 368 S CA 0.034 57.941 58.200 -0.488 0.000 1.069 368 S CB 0.891 63.903 63.200 -0.315 0.000 0.807 368 S HN 0.672 nan 8.310 nan 0.000 0.500 369 P HA -0.175 nan 4.420 nan 0.000 0.216 369 P C 1.637 178.845 177.300 -0.153 0.000 1.150 369 P CA 1.070 63.957 63.100 -0.355 0.000 0.837 369 P CB 0.017 31.463 31.700 -0.423 0.000 0.786 370 M N 0.048 119.540 119.600 -0.181 0.000 2.067 370 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 370 M C 1.976 178.235 176.300 -0.068 0.000 1.069 370 M CA 1.768 57.016 55.300 -0.086 0.000 1.117 370 M CB -1.301 31.244 32.600 -0.093 0.000 1.334 370 M HN -0.102 nan 8.290 nan 0.000 0.407 371 K N -0.109 120.232 120.400 -0.099 0.000 2.059 371 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 371 K C 1.949 178.511 176.600 -0.063 0.000 1.050 371 K CA 1.804 58.046 56.287 -0.075 0.000 0.927 371 K CB -1.858 30.591 32.500 -0.084 0.000 0.714 371 K HN 0.457 nan 8.250 nan 0.000 0.447 372 V N 0.551 120.427 119.914 -0.063 0.000 2.720 372 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 372 V C 1.820 177.879 176.094 -0.059 0.000 1.082 372 V CA 1.228 63.493 62.300 -0.059 0.000 1.101 372 V CB -0.336 31.467 31.823 -0.034 0.000 0.693 372 V HN 0.052 nan 8.190 nan 0.000 0.479 373 I N 0.510 121.079 120.570 -0.002 0.000 2.584 373 I HA 0.075 4.245 4.170 -0.000 0.000 0.255 373 I C 2.666 178.795 176.117 0.019 0.000 1.145 373 I CA 0.933 62.280 61.300 0.078 0.000 1.462 373 I CB -1.293 36.779 38.000 0.120 0.000 1.102 373 I HN 0.335 nan 8.210 nan 0.000 0.433 374 R N 0.281 120.772 120.500 -0.016 0.000 2.285 374 R HA -0.005 4.335 4.340 -0.000 0.000 0.213 374 R C 1.980 178.253 176.300 -0.045 0.000 1.068 374 R CA 0.939 57.024 56.100 -0.024 0.000 1.004 374 R CB -0.116 30.167 30.300 -0.029 0.000 0.873 374 R HN 0.356 nan 8.270 nan 0.000 0.467 375 S N 0.863 116.515 115.700 -0.081 0.000 2.444 375 S HA 0.101 4.571 4.470 -0.000 0.000 0.223 375 S C 0.909 175.423 174.600 -0.143 0.000 1.054 375 S CA -0.159 57.980 58.200 -0.102 0.000 0.947 375 S CB 0.108 63.244 63.200 -0.107 0.000 0.850 375 S HN 0.070 nan 8.310 nan 0.000 0.527 376 I N 4.572 124.979 120.570 -0.272 0.000 2.845 376 I HA 0.034 4.204 4.170 -0.000 0.000 0.290 376 I C -1.435 174.593 176.117 -0.149 0.000 1.202 376 I CA -1.899 59.172 61.300 -0.382 0.000 1.406 376 I CB -1.243 36.101 38.000 -1.093 0.000 1.383 376 I HN 0.091 nan 8.210 nan 0.000 0.549 377 P HA -0.189 nan 4.420 nan 0.000 0.215 377 P C 1.715 179.156 177.300 0.235 0.000 1.157 377 P CA 1.154 64.309 63.100 0.090 0.000 0.874 377 P CB 0.425 32.181 31.700 0.092 0.000 0.790 378 V N -1.328 118.707 119.914 0.202 0.000 2.759 378 V HA -0.119 4.001 4.120 -0.000 0.000 0.256 378 V C 1.497 177.787 176.094 0.327 0.000 1.080 378 V CA 1.154 63.472 62.300 0.030 0.000 1.101 378 V CB -1.361 30.451 31.823 -0.018 0.000 0.698 378 V HN -0.144 nan 8.190 nan 0.000 0.477 379 F N 0.873 120.823 119.950 -0.000 0.000 2.697 379 F HA 0.152 4.679 4.527 -0.000 0.000 0.297 379 F C 1.789 177.443 175.800 -0.243 0.000 1.203 379 F CA -0.109 57.823 58.000 -0.114 0.000 1.421 379 F CB -1.715 37.204 39.000 -0.135 0.000 1.033 379 F HN 0.325 nan 8.300 nan 0.000 0.512 380 N N 0.359 119.112 118.700 0.088 0.000 2.092 380 N HA -0.221 4.518 4.740 -0.000 0.000 0.189 380 N C 2.243 177.642 175.510 -0.185 0.000 1.040 380 N CA 1.527 54.573 53.050 -0.007 0.000 0.845 380 N CB -0.238 38.298 38.487 0.083 0.000 1.017 380 N HN 0.411 nan 8.380 nan 0.000 0.426 381 Y N 0.680 120.823 120.300 -0.261 0.000 2.133 381 Y HA -0.271 4.279 4.550 -0.000 0.000 0.279 381 Y C 2.339 177.734 175.900 -0.841 0.000 1.209 381 Y CA 1.384 59.195 58.100 -0.482 0.000 1.152 381 Y CB -1.035 37.094 38.460 -0.553 0.000 0.961 381 Y HN 0.140 nan 8.280 nan 0.000 0.512 382 Q N 0.264 119.011 119.800 -1.753 0.000 2.181 382 Q HA -0.168 4.172 4.340 -0.000 0.000 0.205 382 Q C 2.313 177.981 176.000 -0.554 0.000 0.980 382 Q CA 1.882 56.894 55.803 -1.319 0.000 0.862 382 Q CB -0.179 27.892 28.738 -1.112 0.000 0.905 382 Q HN 0.644 nan 8.270 nan 0.000 0.429 383 L N -0.782 120.232 121.223 -0.348 0.000 2.127 383 L HA -0.148 4.192 4.340 -0.000 0.000 0.203 383 L C 2.223 179.079 176.870 -0.025 0.000 1.080 383 L CA 0.681 55.454 54.840 -0.111 0.000 0.768 383 L CB -0.336 41.692 42.059 -0.051 0.000 0.924 383 L HN 0.241 nan 8.230 nan 0.000 0.444 384 Y N 0.030 120.207 120.300 -0.205 0.000 2.102 384 Y HA -0.362 4.188 4.550 -0.000 0.000 0.280 384 Y C 2.217 178.150 175.900 0.055 0.000 1.178 384 Y CA 1.498 59.541 58.100 -0.095 0.000 1.146 384 Y CB -0.772 37.596 38.460 -0.152 0.000 0.968 384 Y HN 0.099 nan 8.280 nan 0.000 0.504 385 F N 0.683 120.435 119.950 -0.330 0.000 2.065 385 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 385 F C 2.641 178.297 175.800 -0.240 0.000 1.112 385 F CA 1.784 59.510 58.000 -0.455 0.000 1.212 385 F CB -1.640 37.004 39.000 -0.593 0.000 0.975 385 F HN 0.110 nan 8.300 nan 0.000 0.476 386 Q N 0.328 120.176 119.800 0.079 0.000 2.294 386 Q HA -0.229 4.111 4.340 -0.000 0.000 0.215 386 Q C 0.515 176.535 176.000 0.033 0.000 1.000 386 Q CA 1.302 57.146 55.803 0.068 0.000 0.916 386 Q CB -0.430 28.343 28.738 0.059 0.000 0.932 386 Q HN 0.099 nan 8.270 nan 0.000 0.420 387 E N 0.657 120.865 120.200 0.015 0.000 2.105 387 E HA 0.166 4.516 4.350 -0.000 0.000 0.285 387 E C -2.418 174.167 176.600 -0.024 0.000 1.055 387 E CA -2.408 53.997 56.400 0.008 0.000 0.843 387 E CB 0.705 30.427 29.700 0.036 0.000 1.067 387 E HN 0.048 nan 8.360 nan 0.000 0.398 388 P HA -0.025 nan 4.420 nan 0.000 0.258 388 P C 0.773 178.059 177.300 -0.023 0.000 1.172 388 P CA 1.036 64.122 63.100 -0.024 0.000 0.762 388 P CB 0.503 32.198 31.700 -0.009 0.000 0.764 389 G N 1.511 110.290 108.800 -0.035 0.000 2.299 389 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.237 389 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.237 389 G C 0.990 175.872 174.900 -0.029 0.000 1.027 389 G CA 0.276 45.363 45.100 -0.021 0.000 0.619 389 G HN 0.366 nan 8.290 nan 0.000 0.513 390 V N 1.556 121.446 119.914 -0.040 0.000 2.214 390 V HA 0.060 4.180 4.120 -0.000 0.000 0.244 390 V C 3.263 179.317 176.094 -0.067 0.000 1.045 390 V CA 3.302 65.590 62.300 -0.021 0.000 0.993 390 V CB -1.434 30.392 31.823 0.005 0.000 0.633 390 V HN 1.183 nan 8.190 nan 0.000 0.449 391 A N -0.763 121.900 122.820 -0.263 0.000 2.070 391 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 391 A C 2.048 179.487 177.584 -0.242 0.000 1.159 391 A CA 1.760 53.605 52.037 -0.319 0.000 0.656 391 A CB -0.537 18.107 19.000 -0.594 0.000 0.800 391 A HN 0.627 nan 8.150 nan 0.000 0.453 392 E N 0.144 120.234 120.200 -0.183 0.000 2.012 392 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 392 E C 2.362 178.910 176.600 -0.087 0.000 1.007 392 E CA 1.581 57.917 56.400 -0.108 0.000 0.816 392 E CB -0.494 29.194 29.700 -0.021 0.000 0.762 392 E HN 0.533 nan 8.360 nan 0.000 0.451 393 A N 0.851 123.647 122.820 -0.041 0.000 1.927 393 A HA -0.345 3.975 4.320 -0.000 0.000 0.220 393 A C 2.172 179.742 177.584 -0.023 0.000 1.185 393 A CA 2.124 54.153 52.037 -0.013 0.000 0.639 393 A CB -0.663 18.341 19.000 0.007 0.000 0.820 393 A HN 0.346 nan 8.150 nan 0.000 0.451 394 E N -0.305 119.881 120.200 -0.023 0.000 2.028 394 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 394 E C 2.052 178.600 176.600 -0.088 0.000 0.988 394 E CA 1.220 57.617 56.400 -0.006 0.000 0.799 394 E CB -0.210 29.553 29.700 0.105 0.000 0.755 394 E HN 0.640 nan 8.360 nan 0.000 0.447 395 L N 0.662 121.754 121.223 -0.218 0.000 1.994 395 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 395 L C 2.606 179.297 176.870 -0.300 0.000 1.071 395 L CA 1.528 56.115 54.840 -0.420 0.000 0.745 395 L CB -0.573 40.864 42.059 -1.037 0.000 0.892 395 L HN 0.149 nan 8.230 nan 0.000 0.431 396 E N 0.170 120.259 120.200 -0.184 0.000 2.048 396 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 396 E C 2.146 178.756 176.600 0.017 0.000 1.021 396 E CA 1.364 57.780 56.400 0.027 0.000 0.825 396 E CB -0.043 29.710 29.700 0.088 0.000 0.756 396 E HN 0.218 nan 8.360 nan 0.000 0.454 397 K N 0.139 120.536 120.400 -0.004 0.000 2.159 397 K HA -0.243 4.077 4.320 -0.000 0.000 0.217 397 K C 0.830 177.438 176.600 0.013 0.000 1.048 397 K CA 1.649 57.939 56.287 0.005 0.000 0.941 397 K CB -0.444 32.053 32.500 -0.005 0.000 0.738 397 K HN 0.163 nan 8.250 nan 0.000 0.469 398 N N -0.997 117.703 118.700 -0.001 0.000 2.827 398 N HA 0.129 4.869 4.740 -0.000 0.000 0.240 398 N C 0.213 175.728 175.510 0.008 0.000 1.352 398 N CA 0.006 53.066 53.050 0.016 0.000 0.760 398 N CB 0.371 38.864 38.487 0.011 0.000 1.426 398 N HN -0.118 nan 8.380 nan 0.000 0.561 399 M N 0.253 119.887 119.600 0.057 0.000 2.202 399 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 399 M C 1.947 178.336 176.300 0.149 0.000 1.063 399 M CA 1.438 56.792 55.300 0.091 0.000 1.097 399 M CB -0.180 32.602 32.600 0.302 0.000 1.382 399 M HN 0.626 nan 8.290 nan 0.000 0.413 400 S N 0.365 116.149 115.700 0.139 0.000 2.365 400 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 400 S C 2.082 176.736 174.600 0.090 0.000 1.039 400 S CA 1.633 59.916 58.200 0.139 0.000 1.033 400 S CB -0.256 63.000 63.200 0.093 0.000 0.887 400 S HN 0.471 nan 8.310 nan 0.000 0.447 401 R N 0.218 120.734 120.500 0.026 0.000 2.056 401 R HA -0.058 4.281 4.340 -0.000 0.000 0.227 401 R C 2.158 178.414 176.300 -0.073 0.000 1.149 401 R CA 2.135 58.225 56.100 -0.016 0.000 0.937 401 R CB -1.599 28.684 30.300 -0.029 0.000 0.835 401 R HN 0.442 nan 8.270 nan 0.000 0.430 402 T N 1.548 116.016 114.554 -0.143 0.000 2.572 402 T HA -0.245 4.105 4.350 -0.000 0.000 0.258 402 T C 1.696 176.175 174.700 -0.369 0.000 1.154 402 T CA 2.680 64.608 62.100 -0.287 0.000 1.157 402 T CB -0.540 67.981 68.868 -0.578 0.000 0.856 402 T HN 0.265 nan 8.240 nan 0.000 0.443 403 F N 1.949 121.820 119.950 -0.131 0.000 2.146 403 F HA 0.006 4.532 4.527 -0.000 0.000 0.298 403 F C 2.380 177.981 175.800 -0.333 0.000 1.096 403 F CA 0.868 58.647 58.000 -0.367 0.000 1.275 403 F CB -0.422 38.447 39.000 -0.219 0.000 1.008 403 F HN 0.193 nan 8.300 nan 0.000 0.480 404 K N -0.376 120.036 120.400 0.019 0.000 2.209 404 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 404 K C 1.999 178.550 176.600 -0.082 0.000 1.048 404 K CA 1.426 57.720 56.287 0.011 0.000 0.940 404 K CB -0.713 31.811 32.500 0.040 0.000 0.729 404 K HN 0.166 nan 8.250 nan 0.000 0.451 405 S N 1.254 116.876 115.700 -0.130 0.000 2.345 405 S HA -0.016 4.454 4.470 -0.000 0.000 0.219 405 S C 1.775 176.178 174.600 -0.328 0.000 1.031 405 S CA 0.857 58.934 58.200 -0.205 0.000 0.984 405 S CB -0.359 62.719 63.200 -0.203 0.000 0.874 405 S HN 0.197 nan 8.310 nan 0.000 0.451 406 F N 1.224 120.919 119.950 -0.425 0.000 2.046 406 F HA -0.038 4.489 4.527 -0.000 0.000 0.297 406 F C 0.462 176.123 175.800 -0.231 0.000 1.123 406 F CA 0.948 58.728 58.000 -0.367 0.000 1.199 406 F CB -0.336 38.274 39.000 -0.651 0.000 0.972 406 F HN 0.098 nan 8.300 nan 0.000 0.474 407 F N 2.460 122.381 119.950 -0.050 0.000 2.423 407 F HA 0.367 4.894 4.527 -0.000 0.000 0.356 407 F C 0.262 175.976 175.800 -0.142 0.000 1.170 407 F CA -0.749 57.026 58.000 -0.376 0.000 1.163 407 F CB -0.487 38.138 39.000 -0.625 0.000 1.318 407 F HN -0.158 nan 8.300 nan 0.000 0.569 408 R N 0.853 121.460 120.500 0.178 0.000 2.799 408 R HA 0.859 5.199 4.340 -0.000 0.000 0.270 408 R C -0.022 176.516 176.300 0.396 0.000 1.010 408 R CA -1.114 55.053 56.100 0.112 0.000 0.916 408 R CB 1.373 31.590 30.300 -0.139 0.000 1.228 408 R HN 0.489 nan 8.270 nan 0.000 0.469 409 A N 0.621 123.631 122.820 0.316 0.000 2.911 409 A HA 0.123 4.443 4.320 -0.000 0.000 0.202 409 A C 1.117 178.906 177.584 0.342 0.000 2.026 409 A CA 0.789 53.014 52.037 0.313 0.000 0.923 409 A CB -0.442 18.668 19.000 0.183 0.000 1.859 409 A HN 0.801 nan 8.150 nan 0.000 0.782 410 S N -1.214 114.607 115.700 0.201 0.000 2.578 410 S HA 0.131 4.600 4.470 -0.000 0.000 0.228 410 S C -0.363 174.300 174.600 0.105 0.000 1.022 410 S CA 0.479 58.757 58.200 0.131 0.000 0.967 410 S CB 0.042 63.288 63.200 0.075 0.000 0.914 410 S HN 0.629 nan 8.310 nan 0.000 0.515 411 D N 0.742 121.213 120.400 0.119 0.000 2.957 411 D HA 0.369 5.008 4.640 -0.000 0.000 0.352 411 D C -0.702 175.662 176.300 0.108 0.000 1.352 411 D CA -0.116 53.938 54.000 0.091 0.000 0.831 411 D CB 0.312 41.152 40.800 0.066 0.000 1.147 411 D HN 0.335 nan 8.370 nan 0.000 0.467 412 E N 0.868 121.161 120.200 0.155 0.000 2.246 412 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 412 E C -0.587 176.116 176.600 0.171 0.000 0.880 412 E CA -0.545 55.946 56.400 0.152 0.000 0.762 412 E CB 1.800 31.598 29.700 0.163 0.000 1.180 412 E HN 0.127 nan 8.360 nan 0.000 0.416 413 T N 0.410 115.030 114.554 0.110 0.000 2.904 413 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 413 T C 1.032 175.781 174.700 0.082 0.000 1.018 413 T CA 0.055 62.212 62.100 0.095 0.000 1.075 413 T CB 1.360 70.263 68.868 0.059 0.000 0.986 413 T HN 0.787 nan 8.240 nan 0.000 0.523 414 G N 0.631 109.480 108.800 0.081 0.000 2.131 414 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.223 414 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.223 414 G C -0.054 174.871 174.900 0.042 0.000 0.990 414 G CA -0.127 44.999 45.100 0.042 0.000 0.671 414 G HN 0.697 nan 8.290 nan 0.000 0.521 415 F N -0.180 119.757 119.950 -0.022 0.000 2.098 415 F HA 0.508 5.035 4.527 -0.000 0.000 0.251 415 F C 1.509 177.235 175.800 -0.123 0.000 1.114 415 F CA 0.758 58.732 58.000 -0.044 0.000 1.264 415 F CB 0.034 39.012 39.000 -0.037 0.000 1.704 415 F HN 0.088 nan 8.300 nan 0.000 0.478 416 I N -0.379 120.401 120.570 0.350 0.000 3.062 416 I HA 0.369 4.539 4.170 -0.000 0.000 0.318 416 I C 0.002 176.100 176.117 -0.032 0.000 1.026 416 I CA -0.753 60.542 61.300 -0.007 0.000 1.096 416 I CB 1.167 39.068 38.000 -0.165 0.000 1.348 416 I HN 0.413 nan 8.210 nan 0.000 0.543 417 A N 3.033 125.796 122.820 -0.096 0.000 3.249 417 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 417 A C 1.249 178.787 177.584 -0.075 0.000 1.302 417 A CA -0.370 51.636 52.037 -0.051 0.000 1.074 417 A CB -0.941 18.027 19.000 -0.054 0.000 1.132 417 A HN 0.582 nan 8.150 nan 0.000 0.575 418 V N -0.046 119.731 119.914 -0.228 0.000 2.233 418 V HA -0.398 3.722 4.120 -0.000 0.000 0.256 418 V C 2.231 178.309 176.094 -0.026 0.000 1.069 418 V CA 2.797 64.881 62.300 -0.360 0.000 1.054 418 V CB -1.499 29.907 31.823 -0.694 0.000 0.664 418 V HN 0.908 nan 8.190 nan 0.000 0.453 419 H N 1.655 120.737 119.070 0.020 0.000 2.476 419 H HA 0.151 4.707 4.556 -0.000 0.000 0.292 419 H C 1.955 177.264 175.328 -0.031 0.000 1.019 419 H CA 0.816 56.876 56.048 0.020 0.000 1.330 419 H CB -0.879 28.888 29.762 0.009 0.000 1.451 419 H HN 0.589 nan 8.280 nan 0.000 0.535 420 K N 1.529 122.025 120.400 0.159 0.000 2.362 420 K HA 0.170 4.490 4.320 -0.000 0.000 0.200 420 K C 2.154 178.723 176.600 -0.052 0.000 1.046 420 K CA 0.787 57.078 56.287 0.006 0.000 0.952 420 K CB -0.268 32.215 32.500 -0.029 0.000 0.753 420 K HN 0.192 nan 8.250 nan 0.000 0.466 421 A N 2.036 124.817 122.820 -0.064 0.000 2.016 421 A HA -0.322 3.998 4.320 -0.000 0.000 0.225 421 A C 2.258 179.652 177.584 -0.318 0.000 1.230 421 A CA 2.885 54.798 52.037 -0.206 0.000 0.678 421 A CB -1.512 17.404 19.000 -0.141 0.000 0.826 421 A HN 0.695 nan 8.150 nan 0.000 0.484 422 T N -2.931 111.521 114.554 -0.170 0.000 2.939 422 T HA 0.036 4.385 4.350 -0.000 0.000 0.254 422 T C 1.733 176.362 174.700 -0.119 0.000 1.041 422 T CA 0.901 62.915 62.100 -0.142 0.000 1.142 422 T CB -0.207 68.626 68.868 -0.058 0.000 0.874 422 T HN 0.589 nan 8.240 nan 0.000 0.452 423 E N 1.449 121.595 120.200 -0.090 0.000 2.000 423 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 423 E C 2.268 178.812 176.600 -0.093 0.000 1.011 423 E CA 1.688 58.043 56.400 -0.075 0.000 0.836 423 E CB -0.347 29.315 29.700 -0.063 0.000 0.778 423 E HN 0.689 nan 8.360 nan 0.000 0.462 424 I N -1.511 118.997 120.570 -0.103 0.000 2.479 424 I HA -0.094 4.076 4.170 -0.000 0.000 0.258 424 I C 1.410 177.442 176.117 -0.143 0.000 1.165 424 I CA 1.067 62.302 61.300 -0.108 0.000 1.422 424 I CB -1.037 36.899 38.000 -0.107 0.000 1.087 424 I HN 0.303 nan 8.210 nan 0.000 0.441 425 G N 1.073 109.748 108.800 -0.208 0.000 2.272 425 G HA2 0.070 4.029 3.960 -0.000 0.000 0.280 425 G HA3 0.070 4.029 3.960 -0.000 0.000 0.280 425 G C 0.291 174.985 174.900 -0.343 0.000 1.067 425 G CA 0.073 45.017 45.100 -0.259 0.000 0.902 425 G HN 1.469 nan 8.290 nan 0.000 0.500 426 G N -1.285 107.210 108.800 -0.509 0.000 1.932 426 G HA2 0.432 4.392 3.960 -0.000 0.000 0.260 426 G HA3 0.432 4.392 3.960 -0.000 0.000 0.260 426 G C 0.430 175.174 174.900 -0.259 0.000 1.708 426 G CA -0.003 44.867 45.100 -0.382 0.000 0.912 426 G HN 0.920 nan 8.290 nan 0.000 0.710 427 I N 1.680 122.167 120.570 -0.138 0.000 3.164 427 I HA 0.041 4.211 4.170 -0.000 0.000 0.278 427 I C 1.037 177.111 176.117 -0.071 0.000 1.320 427 I CA 0.931 62.219 61.300 -0.020 0.000 1.422 427 I CB 0.008 38.148 38.000 0.233 0.000 1.066 427 I HN 0.478 nan 8.210 nan 0.000 0.503 428 L N -1.411 119.772 121.223 -0.066 0.000 3.039 428 L HA 0.094 4.434 4.340 -0.000 0.000 0.269 428 L C 1.774 178.604 176.870 -0.067 0.000 1.169 428 L CA -0.105 54.685 54.840 -0.083 0.000 0.986 428 L CB 0.597 42.612 42.059 -0.072 0.000 1.377 428 L HN -0.087 nan 8.230 nan 0.000 0.575 429 V N 1.055 120.929 119.914 -0.067 0.000 2.944 429 V HA -0.211 3.909 4.120 -0.000 0.000 0.265 429 V C 1.712 177.778 176.094 -0.046 0.000 1.125 429 V CA 1.815 64.082 62.300 -0.056 0.000 1.145 429 V CB -1.081 30.703 31.823 -0.066 0.000 0.725 429 V HN 0.722 nan 8.190 nan 0.000 0.510 430 N N -1.085 117.589 118.700 -0.044 0.000 2.184 430 N HA 0.009 4.749 4.740 -0.000 0.000 0.206 430 N C 0.400 175.896 175.510 -0.024 0.000 1.151 430 N CA 0.051 53.084 53.050 -0.030 0.000 0.878 430 N CB 0.115 38.588 38.487 -0.024 0.000 1.014 430 N HN 0.402 nan 8.380 nan 0.000 0.512 431 T N 3.113 117.645 114.554 -0.037 0.000 2.869 431 T HA 0.329 4.679 4.350 -0.000 0.000 0.295 431 T C -2.205 172.476 174.700 -0.032 0.000 0.987 431 T CA -0.770 61.305 62.100 -0.041 0.000 1.109 431 T CB 1.569 70.395 68.868 -0.070 0.000 0.932 431 T HN 0.061 nan 8.240 nan 0.000 0.518 432 P HA 0.100 nan 4.420 nan 0.000 0.278 432 P C 0.879 178.167 177.300 -0.020 0.000 1.270 432 P CA -0.232 62.858 63.100 -0.016 0.000 0.800 432 P CB 0.570 32.265 31.700 -0.009 0.000 1.142 433 E N -0.807 119.386 120.200 -0.012 0.000 2.431 433 E HA 0.020 4.370 4.350 -0.000 0.000 0.200 433 E C -0.175 176.422 176.600 -0.004 0.000 0.995 433 E CA 0.673 57.067 56.400 -0.010 0.000 0.915 433 E CB 0.066 29.762 29.700 -0.007 0.000 0.930 433 E HN 0.360 nan 8.360 nan 0.000 0.496 434 D N 1.141 121.540 120.400 -0.001 0.000 2.607 434 D HA 0.210 4.850 4.640 -0.000 0.000 0.318 434 D C -2.594 173.710 176.300 0.006 0.000 1.212 434 D CA -2.150 51.853 54.000 0.006 0.000 0.861 434 D CB 0.697 41.503 40.800 0.010 0.000 1.064 434 D HN -0.195 nan 8.370 nan 0.000 0.500 435 P HA -0.059 nan 4.420 nan 0.000 0.263 435 P C -0.072 177.236 177.300 0.015 0.000 1.168 435 P CA 0.224 63.324 63.100 0.000 0.000 0.759 435 P CB 0.425 32.119 31.700 -0.011 0.000 0.782 436 N N 2.590 121.299 118.700 0.016 0.000 2.529 436 N HA 0.093 4.833 4.740 -0.000 0.000 0.278 436 N C -0.432 175.097 175.510 0.032 0.000 1.146 436 N CA -0.577 52.488 53.050 0.025 0.000 0.980 436 N CB 0.451 38.953 38.487 0.025 0.000 1.124 436 N HN 0.325 nan 8.380 nan 0.000 0.458 437 L N 2.939 124.187 121.223 0.041 0.000 2.500 437 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 437 L C 0.661 177.562 176.870 0.052 0.000 1.149 437 L CA 0.108 54.980 54.840 0.052 0.000 0.897 437 L CB 0.509 42.602 42.059 0.057 0.000 1.178 437 L HN 0.588 nan 8.230 nan 0.000 0.473 438 S N 4.475 120.209 115.700 0.056 0.000 2.563 438 S HA -0.063 4.406 4.470 -0.000 0.000 0.294 438 S C 1.332 175.967 174.600 0.059 0.000 1.279 438 S CA -0.191 58.045 58.200 0.060 0.000 1.069 438 S CB 0.417 63.660 63.200 0.072 0.000 0.828 438 S HN 0.774 nan 8.310 nan 0.000 0.497 439 K N 3.741 124.174 120.400 0.056 0.000 2.585 439 K HA -0.055 4.264 4.320 -0.000 0.000 0.194 439 K C 0.675 177.300 176.600 0.042 0.000 1.037 439 K CA 0.727 57.042 56.287 0.048 0.000 0.964 439 K CB -0.108 32.418 32.500 0.044 0.000 0.787 439 K HN 0.568 nan 8.250 nan 0.000 0.488 440 I N 1.877 122.475 120.570 0.046 0.000 3.941 440 I HA 0.050 4.219 4.170 -0.000 0.000 0.335 440 I C -0.038 176.084 176.117 0.009 0.000 1.402 440 I CA -0.129 61.186 61.300 0.025 0.000 1.112 440 I CB 0.420 38.449 38.000 0.048 0.000 1.043 440 I HN 0.351 nan 8.210 nan 0.000 0.395 441 T N -3.244 111.331 114.554 0.036 0.000 2.792 441 T HA 0.660 5.010 4.350 -0.000 0.000 0.303 441 T C -0.085 174.659 174.700 0.073 0.000 1.310 441 T CA -0.394 61.734 62.100 0.048 0.000 1.007 441 T CB 2.013 70.915 68.868 0.057 0.000 1.335 441 T HN 0.054 nan 8.240 nan 0.000 0.504 442 T N -2.081 112.527 114.554 0.091 0.000 2.927 442 T HA 0.547 4.897 4.350 -0.000 0.000 0.286 442 T C 0.968 175.730 174.700 0.103 0.000 1.040 442 T CA -0.403 61.750 62.100 0.088 0.000 1.010 442 T CB 1.847 70.765 68.868 0.084 0.000 1.177 442 T HN 0.862 nan 8.240 nan 0.000 0.546 443 E N 0.035 120.288 120.200 0.088 0.000 2.150 443 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 443 E C 1.580 178.241 176.600 0.102 0.000 0.985 443 E CA 1.291 57.746 56.400 0.092 0.000 0.814 443 E CB -0.057 29.686 29.700 0.071 0.000 0.752 443 E HN 0.746 nan 8.360 nan 0.000 0.466 444 E N 0.628 120.885 120.200 0.094 0.000 2.076 444 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 444 E C 1.830 178.517 176.600 0.145 0.000 0.979 444 E CA 0.968 57.422 56.400 0.089 0.000 0.807 444 E CB -0.058 29.675 29.700 0.055 0.000 0.761 444 E HN 0.297 nan 8.360 nan 0.000 0.454 445 E N 0.318 120.630 120.200 0.188 0.000 2.130 445 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 445 E C 1.809 178.638 176.600 0.381 0.000 0.998 445 E CA 0.848 57.437 56.400 0.316 0.000 0.806 445 E CB -0.045 29.783 29.700 0.213 0.000 0.738 445 E HN 0.251 nan 8.360 nan 0.000 0.459 446 I N 0.875 121.605 120.570 0.265 0.000 2.235 446 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 446 I C 2.388 178.610 176.117 0.176 0.000 1.085 446 I CA 0.869 62.324 61.300 0.258 0.000 1.378 446 I CB -1.057 37.068 38.000 0.209 0.000 1.076 446 I HN 0.041 nan 8.210 nan 0.000 0.415 447 E N 0.809 121.091 120.200 0.136 0.000 2.147 447 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 447 E C 2.080 178.699 176.600 0.033 0.000 1.005 447 E CA 1.351 57.800 56.400 0.081 0.000 0.810 447 E CB -0.512 29.230 29.700 0.071 0.000 0.736 447 E HN 0.377 nan 8.360 nan 0.000 0.460 448 F N 0.298 120.168 119.950 -0.133 0.000 2.051 448 F HA -0.258 4.269 4.527 -0.000 0.000 0.296 448 F C 2.155 177.764 175.800 -0.318 0.000 1.122 448 F CA 1.604 59.414 58.000 -0.316 0.000 1.201 448 F CB -1.075 37.556 39.000 -0.616 0.000 0.978 448 F HN 0.051 nan 8.300 nan 0.000 0.472 449 Y N 0.646 120.750 120.300 -0.326 0.000 2.132 449 Y HA -0.345 4.205 4.550 -0.000 0.000 0.280 449 Y C 2.467 178.044 175.900 -0.537 0.000 1.193 449 Y CA 2.177 59.944 58.100 -0.554 0.000 1.157 449 Y CB -0.682 37.330 38.460 -0.747 0.000 0.966 449 Y HN 0.113 nan 8.280 nan 0.000 0.511 450 I N -0.262 120.166 120.570 -0.236 0.000 2.058 450 I HA -0.396 3.774 4.170 -0.000 0.000 0.235 450 I C 2.626 178.730 176.117 -0.022 0.000 1.053 450 I CA 1.964 63.272 61.300 0.015 0.000 1.313 450 I CB -0.918 37.134 38.000 0.086 0.000 1.039 450 I HN 0.305 nan 8.210 nan 0.000 0.396 451 Q N 1.088 120.811 119.800 -0.127 0.000 2.096 451 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 451 Q C 2.218 178.061 176.000 -0.262 0.000 0.993 451 Q CA 1.876 57.583 55.803 -0.161 0.000 0.862 451 Q CB -0.257 28.378 28.738 -0.172 0.000 0.915 451 Q HN 0.529 nan 8.270 nan 0.000 0.416 452 Q N -0.861 118.637 119.800 -0.503 0.000 2.226 452 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 452 Q C 1.566 177.287 176.000 -0.465 0.000 0.975 452 Q CA 1.046 56.489 55.803 -0.600 0.000 0.866 452 Q CB -0.006 28.116 28.738 -1.028 0.000 0.915 452 Q HN 0.431 nan 8.270 nan 0.000 0.440 453 F N 0.087 119.885 119.950 -0.253 0.000 2.714 453 F HA 0.047 4.574 4.527 -0.000 0.000 0.294 453 F C 2.001 177.724 175.800 -0.128 0.000 1.120 453 F CA 0.180 58.064 58.000 -0.194 0.000 1.398 453 F CB 0.449 39.367 39.000 -0.137 0.000 1.120 453 F HN -0.101 nan 8.300 nan 0.000 0.589 454 K N 0.756 121.191 120.400 0.060 0.000 2.148 454 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 454 K C 1.676 178.278 176.600 0.004 0.000 1.050 454 K CA 1.040 57.357 56.287 0.050 0.000 0.942 454 K CB -0.228 32.289 32.500 0.028 0.000 0.724 454 K HN 0.372 nan 8.250 nan 0.000 0.446 455 K N 0.498 120.865 120.400 -0.054 0.000 2.057 455 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 455 K C 2.162 178.733 176.600 -0.049 0.000 1.050 455 K CA 1.781 58.032 56.287 -0.059 0.000 0.935 455 K CB -0.311 32.134 32.500 -0.092 0.000 0.715 455 K HN 0.196 nan 8.250 nan 0.000 0.439 456 T N -1.337 113.163 114.554 -0.090 0.000 3.051 456 T HA 0.234 4.584 4.350 -0.000 0.000 0.255 456 T C 1.185 175.880 174.700 -0.008 0.000 1.085 456 T CA 0.111 62.167 62.100 -0.074 0.000 1.109 456 T CB -0.084 68.667 68.868 -0.195 0.000 0.921 456 T HN 0.456 nan 8.240 nan 0.000 0.488 457 G N 1.093 109.920 108.800 0.045 0.000 2.698 457 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.233 457 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.233 457 G C -0.027 174.915 174.900 0.071 0.000 1.352 457 G CA -0.036 45.127 45.100 0.105 0.000 0.879 457 G HN 0.287 nan 8.290 nan 0.000 0.567 458 F N 0.070 120.055 119.950 0.059 0.000 2.720 458 F HA 0.272 4.799 4.527 -0.000 0.000 0.301 458 F C 2.640 178.418 175.800 -0.036 0.000 1.103 458 F CA 0.462 58.464 58.000 0.003 0.000 1.291 458 F CB 0.079 39.017 39.000 -0.104 0.000 1.086 458 F HN 0.402 nan 8.300 nan 0.000 0.592 459 R N 0.836 121.409 120.500 0.122 0.000 2.223 459 R HA -0.225 4.115 4.340 -0.000 0.000 0.229 459 R C 2.387 178.649 176.300 -0.064 0.000 1.105 459 R CA 2.099 58.212 56.100 0.021 0.000 0.880 459 R CB -1.401 28.904 30.300 0.007 0.000 0.853 459 R HN 0.412 nan 8.270 nan 0.000 0.429 460 G N 1.043 109.784 108.800 -0.098 0.000 2.513 460 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.219 460 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.219 460 G C -1.148 173.644 174.900 -0.180 0.000 1.160 460 G CA 1.039 45.995 45.100 -0.240 0.000 0.767 460 G HN 0.390 nan 8.290 nan 0.000 0.571 461 P HA -0.026 nan 4.420 nan 0.000 0.217 461 P C 1.961 179.407 177.300 0.244 0.000 1.150 461 P CA 0.627 63.548 63.100 -0.298 0.000 0.832 461 P CB -0.105 31.201 31.700 -0.657 0.000 0.787 462 L N -0.996 120.398 121.223 0.285 0.000 2.141 462 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 462 L C 1.915 178.874 176.870 0.148 0.000 1.094 462 L CA 1.396 56.399 54.840 0.271 0.000 0.763 462 L CB -1.244 40.837 42.059 0.035 0.000 0.908 462 L HN -0.098 nan 8.230 nan 0.000 0.437 463 N N -1.314 117.329 118.700 -0.096 0.000 2.503 463 N HA -0.234 4.506 4.740 -0.000 0.000 0.189 463 N C 1.249 176.635 175.510 -0.207 0.000 1.048 463 N CA 0.941 53.814 53.050 -0.294 0.000 0.905 463 N CB -0.154 37.783 38.487 -0.916 0.000 0.951 463 N HN 0.322 nan 8.380 nan 0.000 0.446 464 W N -0.664 120.391 121.300 -0.409 0.000 2.436 464 W HA -0.002 4.658 4.660 -0.000 0.000 0.284 464 W C 1.416 177.359 176.519 -0.960 0.000 1.225 464 W CA 0.496 57.405 57.345 -0.726 0.000 1.271 464 W CB -0.701 28.106 29.460 -1.088 0.000 1.114 464 W HN 0.148 nan 8.180 nan 0.000 0.559 465 Y N 0.551 120.773 120.300 -0.130 0.000 2.092 465 Y HA -0.151 4.399 4.550 -0.000 0.000 0.282 465 Y C 2.280 178.266 175.900 0.143 0.000 1.126 465 Y CA 1.519 59.754 58.100 0.224 0.000 1.111 465 Y CB -1.145 37.480 38.460 0.274 0.000 0.987 465 Y HN -0.209 nan 8.280 nan 0.000 0.489 466 R N 1.197 121.827 120.500 0.217 0.000 2.476 466 R HA -0.146 4.194 4.340 -0.000 0.000 0.214 466 R C -0.215 176.127 176.300 0.071 0.000 1.196 466 R CA 0.830 57.001 56.100 0.117 0.000 1.172 466 R CB -0.918 29.416 30.300 0.056 0.000 0.796 466 R HN 0.471 nan 8.270 nan 0.000 0.491 467 N N 0.413 119.159 118.700 0.076 0.000 2.433 467 N HA 0.044 4.784 4.740 -0.000 0.000 0.270 467 N C 0.290 175.883 175.510 0.138 0.000 1.354 467 N CA 0.012 53.100 53.050 0.065 0.000 0.889 467 N CB 1.059 39.543 38.487 -0.005 0.000 1.285 467 N HN 0.098 nan 8.380 nan 0.000 0.503 468 T N 0.251 114.909 114.554 0.173 0.000 2.597 468 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 468 T C 1.765 176.584 174.700 0.198 0.000 1.053 468 T CA 1.514 63.739 62.100 0.207 0.000 1.165 468 T CB -0.026 68.938 68.868 0.160 0.000 0.863 468 T HN 0.270 nan 8.240 nan 0.000 0.427 469 E N 1.533 121.816 120.200 0.137 0.000 2.015 469 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 469 E C 2.405 179.192 176.600 0.311 0.000 0.991 469 E CA 1.245 57.731 56.400 0.143 0.000 0.802 469 E CB -0.170 29.568 29.700 0.064 0.000 0.759 469 E HN 0.642 nan 8.360 nan 0.000 0.447 470 R N 0.377 121.016 120.500 0.232 0.000 2.080 470 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 470 R C 2.096 178.577 176.300 0.302 0.000 1.137 470 R CA 1.596 57.836 56.100 0.234 0.000 0.943 470 R CB -0.970 29.400 30.300 0.117 0.000 0.846 470 R HN 0.119 nan 8.270 nan 0.000 0.431 471 N N 0.584 119.455 118.700 0.286 0.000 2.037 471 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 471 N C 1.307 177.069 175.510 0.420 0.000 1.034 471 N CA 1.734 55.001 53.050 0.362 0.000 0.861 471 N CB -0.695 37.999 38.487 0.345 0.000 1.039 471 N HN 0.448 nan 8.380 nan 0.000 0.427 472 W N 1.940 123.351 121.300 0.184 0.000 2.333 472 W HA -0.206 4.454 4.660 -0.000 0.000 0.316 472 W C 2.401 179.002 176.519 0.136 0.000 1.215 472 W CA 1.813 59.238 57.345 0.133 0.000 1.278 472 W CB -0.447 29.073 29.460 0.100 0.000 1.154 472 W HN -0.040 nan 8.180 nan 0.000 0.486 473 K N -0.540 120.111 120.400 0.420 0.000 2.107 473 K HA -0.281 4.038 4.320 -0.000 0.000 0.211 473 K C 1.814 178.447 176.600 0.055 0.000 1.049 473 K CA 2.570 58.949 56.287 0.153 0.000 0.927 473 K CB -1.021 31.674 32.500 0.325 0.000 0.714 473 K HN 0.436 nan 8.250 nan 0.000 0.452 474 W N 0.565 121.851 121.300 -0.023 0.000 2.413 474 W HA -0.054 4.606 4.660 -0.000 0.000 0.315 474 W C 2.000 178.529 176.519 0.018 0.000 1.186 474 W CA 1.708 59.028 57.345 -0.041 0.000 1.326 474 W CB -0.747 28.662 29.460 -0.084 0.000 1.153 474 W HN -0.039 nan 8.180 nan 0.000 0.489 475 S N -0.403 115.242 115.700 -0.093 0.000 2.462 475 S HA -0.232 4.238 4.470 -0.000 0.000 0.243 475 S C 1.409 175.867 174.600 -0.237 0.000 1.003 475 S CA 1.144 59.227 58.200 -0.194 0.000 0.970 475 S CB -1.196 61.968 63.200 -0.060 0.000 0.762 475 S HN 0.296 nan 8.310 nan 0.000 0.510 476 C N 2.100 121.220 119.300 -0.299 0.000 2.427 476 C HA 0.212 4.672 4.460 -0.000 0.000 0.407 476 C C 1.555 176.410 174.990 -0.224 0.000 1.327 476 C CA 0.273 59.075 59.018 -0.360 0.000 1.516 476 C CB -1.955 25.422 27.740 -0.605 0.000 1.641 476 C HN 0.500 nan 8.230 nan 0.000 0.596 477 K N -1.472 118.814 120.400 -0.191 0.000 2.620 477 K HA 0.146 4.466 4.320 -0.000 0.000 0.208 477 K C 1.719 178.182 176.600 -0.228 0.000 1.582 477 K CA 0.336 56.534 56.287 -0.149 0.000 1.083 477 K CB 0.091 32.552 32.500 -0.066 0.000 1.420 477 K HN 0.254 nan 8.250 nan 0.000 0.582 478 G N 1.081 109.676 108.800 -0.341 0.000 3.327 478 G HA2 0.042 4.002 3.960 -0.000 0.000 0.240 478 G HA3 0.042 4.002 3.960 -0.000 0.000 0.240 478 G C 0.915 175.675 174.900 -0.234 0.000 1.222 478 G CA 0.003 44.843 45.100 -0.432 0.000 0.871 478 G HN 0.016 nan 8.290 nan 0.000 0.525 479 L N -0.171 120.973 121.223 -0.132 0.000 2.179 479 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 479 L C 2.817 179.799 176.870 0.187 0.000 1.096 479 L CA 1.053 55.921 54.840 0.047 0.000 0.779 479 L CB 0.041 42.096 42.059 -0.007 0.000 0.922 479 L HN 0.326 nan 8.230 nan 0.000 0.443 480 G N -0.256 108.575 108.800 0.053 0.000 2.603 480 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 480 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 480 G C 0.882 175.820 174.900 0.064 0.000 1.140 480 G CA -0.292 44.838 45.100 0.051 0.000 0.800 480 G HN 0.199 nan 8.290 nan 0.000 0.533 481 R N -0.275 120.248 120.500 0.039 0.000 2.541 481 R HA 0.692 5.032 4.340 -0.000 0.000 0.263 481 R C -0.702 175.684 176.300 0.144 0.000 1.112 481 R CA -0.408 55.700 56.100 0.014 0.000 1.170 481 R CB 0.869 31.090 30.300 -0.132 0.000 1.167 481 R HN -0.059 nan 8.270 nan 0.000 0.582 482 K N 0.541 120.982 120.400 0.068 0.000 2.469 482 K HA 0.412 4.731 4.320 -0.000 0.000 0.254 482 K C -0.998 175.598 176.600 -0.008 0.000 0.939 482 K CA -0.632 55.717 56.287 0.104 0.000 0.812 482 K CB 1.853 34.386 32.500 0.053 0.000 1.301 482 K HN 0.423 nan 8.250 nan 0.000 0.433 483 I N 5.451 125.999 120.570 -0.037 0.000 2.352 483 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 483 I C 0.552 176.664 176.117 -0.008 0.000 1.036 483 I CA -0.043 61.217 61.300 -0.066 0.000 1.336 483 I CB 0.733 38.649 38.000 -0.140 0.000 1.407 483 I HN 0.564 nan 8.210 nan 0.000 0.497 484 L N 6.865 128.119 121.223 0.053 0.000 2.577 484 L HA 0.157 4.497 4.340 -0.000 0.000 0.225 484 L C 0.717 177.715 176.870 0.214 0.000 1.053 484 L CA -0.019 54.907 54.840 0.143 0.000 0.866 484 L CB 0.170 42.314 42.059 0.143 0.000 1.132 484 L HN 0.519 nan 8.230 nan 0.000 0.486 485 V N 0.204 120.217 119.914 0.165 0.000 2.788 485 V HA 0.131 4.251 4.120 -0.000 0.000 0.307 485 V C -2.059 174.180 176.094 0.242 0.000 1.069 485 V CA -1.473 60.934 62.300 0.179 0.000 1.173 485 V CB -0.312 31.605 31.823 0.157 0.000 0.925 485 V HN -0.004 nan 8.190 nan 0.000 0.492 486 P HA 0.247 nan 4.420 nan 0.000 0.261 486 P C -0.321 177.260 177.300 0.468 0.000 1.158 486 P CA 1.152 64.463 63.100 0.353 0.000 0.758 486 P CB 0.177 32.047 31.700 0.283 0.000 0.763 487 A N 3.647 126.746 122.820 0.465 0.000 2.469 487 A HA 0.826 5.146 4.320 -0.000 0.000 0.299 487 A C -1.565 176.122 177.584 0.171 0.000 1.098 487 A CA -0.676 51.593 52.037 0.387 0.000 0.737 487 A CB 1.476 20.754 19.000 0.462 0.000 1.312 487 A HN 0.555 nan 8.150 nan 0.000 0.414 488 L N 2.125 123.301 121.223 -0.079 0.000 2.464 488 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 488 L C -1.606 175.270 176.870 0.010 0.000 0.965 488 L CA -0.537 54.103 54.840 -0.332 0.000 0.833 488 L CB 2.016 43.331 42.059 -1.241 0.000 1.296 488 L HN 0.783 nan 8.230 nan 0.000 0.405 489 M N 4.997 124.655 119.600 0.097 0.000 2.085 489 M HA 0.384 4.863 4.480 -0.000 0.000 0.309 489 M C -1.394 174.969 176.300 0.103 0.000 0.947 489 M CA -0.483 54.949 55.300 0.220 0.000 0.918 489 M CB 1.736 34.468 32.600 0.220 0.000 1.504 489 M HN 0.239 nan 8.290 nan 0.000 0.420 490 V N 4.445 124.417 119.914 0.096 0.000 2.370 490 V HA 0.526 4.646 4.120 -0.000 0.000 0.283 490 V C 0.218 176.382 176.094 0.117 0.000 1.023 490 V CA -0.414 61.932 62.300 0.076 0.000 0.857 490 V CB 1.955 33.799 31.823 0.035 0.000 0.985 490 V HN 0.906 nan 8.190 nan 0.000 0.443 491 T N 2.509 117.147 114.554 0.141 0.000 2.895 491 T HA 0.812 5.162 4.350 -0.000 0.000 0.283 491 T C -0.184 174.571 174.700 0.091 0.000 1.014 491 T CA -0.653 61.548 62.100 0.169 0.000 1.037 491 T CB 1.917 70.931 68.868 0.244 0.000 1.006 491 T HN 0.843 nan 8.240 nan 0.000 0.468 492 A N 1.745 124.608 122.820 0.072 0.000 2.249 492 A HA 0.458 4.778 4.320 -0.000 0.000 0.314 492 A C 1.222 178.836 177.584 0.051 0.000 1.290 492 A CA -0.709 51.324 52.037 -0.006 0.000 0.893 492 A CB 0.274 19.289 19.000 0.025 0.000 1.165 492 A HN 1.132 nan 8.150 nan 0.000 0.530 493 E N 2.977 123.191 120.200 0.024 0.000 2.108 493 E HA -0.241 4.109 4.350 -0.000 0.000 0.203 493 E C 0.516 177.168 176.600 0.085 0.000 1.022 493 E CA 2.021 58.531 56.400 0.183 0.000 0.823 493 E CB -0.027 29.767 29.700 0.156 0.000 0.744 493 E HN 0.655 nan 8.360 nan 0.000 0.456 494 K N 1.010 121.428 120.400 0.029 0.000 2.832 494 K HA 0.135 4.455 4.320 -0.000 0.000 0.211 494 K C -0.665 175.904 176.600 -0.051 0.000 1.112 494 K CA -0.231 56.052 56.287 -0.006 0.000 1.108 494 K CB 0.482 32.979 32.500 -0.005 0.000 0.899 494 K HN 0.031 nan 8.250 nan 0.000 0.464 495 D N 1.366 121.741 120.400 -0.041 0.000 2.325 495 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 495 D C 1.017 177.236 176.300 -0.136 0.000 1.196 495 D CA -0.432 53.516 54.000 -0.087 0.000 0.866 495 D CB 0.716 41.498 40.800 -0.030 0.000 1.101 495 D HN -0.023 nan 8.370 nan 0.000 0.476 496 I N 3.702 124.125 120.570 -0.245 0.000 2.163 496 I HA -0.155 4.014 4.170 -0.000 0.000 0.243 496 I C 1.319 177.314 176.117 -0.202 0.000 1.085 496 I CA 1.011 62.154 61.300 -0.262 0.000 1.347 496 I CB -0.712 37.026 38.000 -0.436 0.000 1.044 496 I HN 0.322 nan 8.210 nan 0.000 0.408 497 V N 0.921 120.690 119.914 -0.242 0.000 2.667 497 V HA 0.508 4.628 4.120 -0.000 0.000 0.308 497 V C 0.223 176.251 176.094 -0.110 0.000 1.048 497 V CA -0.990 61.241 62.300 -0.115 0.000 0.928 497 V CB 1.603 33.324 31.823 -0.169 0.000 1.004 497 V HN 0.343 nan 8.190 nan 0.000 0.444 498 L N 2.239 123.467 121.223 0.008 0.000 3.981 498 L HA -0.118 4.222 4.340 -0.000 0.000 0.403 498 L C 0.804 177.680 176.870 0.010 0.000 1.192 498 L CA 0.476 55.315 54.840 -0.002 0.000 0.910 498 L CB -1.185 40.832 42.059 -0.071 0.000 2.088 498 L HN 0.843 nan 8.230 nan 0.000 0.769 499 R N 0.601 121.108 120.500 0.012 0.000 2.784 499 R HA 0.082 4.422 4.340 -0.000 0.000 0.266 499 R C -0.962 175.359 176.300 0.035 0.000 1.044 499 R CA -0.719 55.389 56.100 0.014 0.000 1.151 499 R CB 0.440 30.740 30.300 -0.000 0.000 1.037 499 R HN -0.161 nan 8.270 nan 0.000 0.478 500 P HA -0.213 nan 4.420 nan 0.000 0.216 500 P C 0.215 177.529 177.300 0.023 0.000 1.153 500 P CA 1.553 64.688 63.100 0.058 0.000 0.858 500 P CB 0.121 31.865 31.700 0.074 0.000 0.789 501 E N 0.176 120.379 120.200 0.006 0.000 2.136 501 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 501 E C 1.676 178.272 176.600 -0.008 0.000 1.019 501 E CA 1.569 57.963 56.400 -0.010 0.000 0.819 501 E CB -1.338 28.353 29.700 -0.016 0.000 0.739 501 E HN 0.352 nan 8.360 nan 0.000 0.458 502 M N 0.999 120.599 119.600 0.001 0.000 2.700 502 M HA 0.022 4.502 4.480 -0.000 0.000 0.249 502 M C 1.451 177.750 176.300 -0.002 0.000 1.082 502 M CA 1.258 56.557 55.300 -0.001 0.000 1.077 502 M CB -0.359 32.251 32.600 0.017 0.000 1.477 502 M HN 0.182 nan 8.290 nan 0.000 0.529 503 S N 0.133 115.836 115.700 0.004 0.000 2.603 503 S HA 0.099 4.569 4.470 -0.000 0.000 0.232 503 S C 1.501 176.101 174.600 -0.001 0.000 1.016 503 S CA -0.680 57.521 58.200 0.002 0.000 0.976 503 S CB -0.085 63.129 63.200 0.024 0.000 0.921 503 S HN 0.578 nan 8.310 nan 0.000 0.516 504 K N 1.516 121.912 120.400 -0.006 0.000 2.280 504 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 504 K C 1.137 177.731 176.600 -0.011 0.000 1.047 504 K CA 1.636 57.916 56.287 -0.012 0.000 0.942 504 K CB -0.538 31.951 32.500 -0.019 0.000 0.739 504 K HN 0.360 nan 8.250 nan 0.000 0.457 505 N N 0.429 119.126 118.700 -0.004 0.000 2.415 505 N HA 0.151 4.890 4.740 -0.000 0.000 0.176 505 N C 1.501 177.031 175.510 0.032 0.000 1.042 505 N CA 0.280 53.329 53.050 -0.002 0.000 0.902 505 N CB -0.005 38.482 38.487 0.001 0.000 0.986 505 N HN 0.070 nan 8.380 nan 0.000 0.447 506 M N 1.058 120.695 119.600 0.063 0.000 2.240 506 M HA -0.312 4.168 4.480 -0.000 0.000 0.250 506 M C 1.309 177.671 176.300 0.103 0.000 1.075 506 M CA 1.684 57.049 55.300 0.109 0.000 1.072 506 M CB -0.481 32.110 32.600 -0.014 0.000 1.305 506 M HN 0.289 nan 8.290 nan 0.000 0.414 507 E N 0.149 120.357 120.200 0.014 0.000 2.455 507 E HA -0.204 4.146 4.350 -0.000 0.000 0.202 507 E C 1.564 178.117 176.600 -0.078 0.000 1.045 507 E CA 0.849 57.230 56.400 -0.032 0.000 0.872 507 E CB -0.682 28.997 29.700 -0.034 0.000 0.792 507 E HN 0.615 nan 8.360 nan 0.000 0.542 508 K N 0.194 120.532 120.400 -0.103 0.000 2.217 508 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 508 K C 1.082 177.480 176.600 -0.336 0.000 1.051 508 K CA 0.837 56.956 56.287 -0.280 0.000 0.952 508 K CB -0.000 32.247 32.500 -0.422 0.000 0.736 508 K HN 0.195 nan 8.250 nan 0.000 0.453 509 W N 0.315 121.576 121.300 -0.065 0.000 2.699 509 W HA 0.278 4.937 4.660 -0.000 0.000 0.265 509 W C 0.425 176.870 176.519 -0.123 0.000 1.210 509 W CA -0.402 56.922 57.345 -0.036 0.000 1.414 509 W CB 0.626 30.168 29.460 0.136 0.000 1.043 509 W HN -0.200 nan 8.180 nan 0.000 0.599 510 I N 2.532 123.161 120.570 0.099 0.000 2.621 510 I HA 0.209 4.379 4.170 -0.000 0.000 0.276 510 I C -2.251 173.753 176.117 -0.189 0.000 1.118 510 I CA -2.088 59.168 61.300 -0.073 0.000 1.159 510 I CB 0.584 38.535 38.000 -0.082 0.000 1.357 510 I HN -0.474 nan 8.210 nan 0.000 0.513 511 P HA 0.121 nan 4.420 nan 0.000 0.269 511 P C 0.062 176.866 177.300 -0.826 0.000 1.209 511 P CA 0.288 62.978 63.100 -0.682 0.000 0.776 511 P CB 0.351 31.408 31.700 -1.071 0.000 0.876 512 F N -2.485 117.501 119.950 0.060 0.000 2.590 512 F HA -0.243 4.284 4.527 -0.000 0.000 0.471 512 F C 0.842 176.700 175.800 0.096 0.000 0.551 512 F CA -0.376 57.671 58.000 0.078 0.000 1.228 512 F CB -2.567 36.486 39.000 0.089 0.000 1.862 512 F HN 0.234 nan 8.300 nan 0.000 0.271 513 L N 3.354 124.674 121.223 0.162 0.000 2.747 513 L HA -0.092 4.248 4.340 -0.000 0.000 0.286 513 L C 0.872 177.832 176.870 0.150 0.000 1.216 513 L CA 0.751 55.676 54.840 0.142 0.000 0.930 513 L CB 0.244 42.338 42.059 0.058 0.000 1.216 513 L HN 0.038 nan 8.230 nan 0.000 0.486 514 K N 5.238 125.730 120.400 0.153 0.000 2.087 514 K HA 0.453 4.773 4.320 -0.000 0.000 0.255 514 K C -0.528 176.107 176.600 0.058 0.000 0.988 514 K CA -0.763 55.594 56.287 0.117 0.000 0.915 514 K CB 1.471 34.060 32.500 0.149 0.000 1.043 514 K HN 0.559 nan 8.250 nan 0.000 0.457 515 R N -0.856 119.679 120.500 0.058 0.000 2.740 515 R HA 0.551 4.890 4.340 -0.000 0.000 0.282 515 R C -0.551 175.780 176.300 0.052 0.000 0.969 515 R CA -0.409 55.723 56.100 0.053 0.000 0.918 515 R CB 2.070 32.410 30.300 0.067 0.000 1.175 515 R HN 0.815 nan 8.270 nan 0.000 0.464 516 G N 0.590 109.427 108.800 0.061 0.000 2.662 516 G HA2 0.453 4.413 3.960 -0.000 0.000 0.302 516 G HA3 0.453 4.413 3.960 -0.000 0.000 0.302 516 G C -1.916 173.064 174.900 0.133 0.000 1.389 516 G CA -0.237 44.904 45.100 0.069 0.000 0.998 516 G HN 0.553 nan 8.290 nan 0.000 0.502 517 H N 1.649 120.737 119.070 0.030 0.000 2.840 517 H HA 0.540 5.096 4.556 -0.000 0.000 0.340 517 H C -0.743 174.604 175.328 0.030 0.000 1.004 517 H CA -0.714 55.353 56.048 0.031 0.000 1.288 517 H CB 1.089 30.867 29.762 0.028 0.000 1.607 517 H HN 0.398 nan 8.280 nan 0.000 0.522 518 I N 4.620 124.835 120.570 -0.591 0.000 2.355 518 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 518 I C 0.042 175.878 176.117 -0.468 0.000 0.999 518 I CA -0.971 60.100 61.300 -0.381 0.000 1.163 518 I CB 1.408 39.304 38.000 -0.173 0.000 1.316 518 I HN 0.473 nan 8.210 nan 0.000 0.454 519 E N 4.931 124.979 120.200 -0.254 0.000 2.392 519 E HA 0.050 4.400 4.350 -0.000 0.000 0.259 519 E C 0.003 176.571 176.600 -0.052 0.000 1.108 519 E CA -0.098 56.245 56.400 -0.094 0.000 0.916 519 E CB 0.529 30.234 29.700 0.009 0.000 0.989 519 E HN 0.594 nan 8.360 nan 0.000 0.432 520 D N -0.674 119.722 120.400 -0.008 0.000 2.837 520 D HA -0.186 4.454 4.640 -0.000 0.000 0.230 520 D C -0.310 175.992 176.300 0.004 0.000 1.152 520 D CA 0.569 54.572 54.000 0.006 0.000 0.736 520 D CB -1.635 39.170 40.800 0.009 0.000 1.084 520 D HN 0.263 nan 8.370 nan 0.000 0.429 521 C N 0.184 119.478 119.300 -0.010 0.000 2.398 521 C HA 0.648 5.108 4.460 -0.000 0.000 0.364 521 C C 1.507 176.513 174.990 0.027 0.000 1.219 521 C CA 0.318 59.339 59.018 0.005 0.000 2.312 521 C CB 1.098 28.824 27.740 -0.023 0.000 2.428 521 C HN 0.472 nan 8.230 nan 0.000 0.564 522 G N 0.089 108.927 108.800 0.063 0.000 2.702 522 G HA2 0.260 4.220 3.960 -0.000 0.000 0.254 522 G HA3 0.260 4.220 3.960 -0.000 0.000 0.254 522 G C 0.377 175.287 174.900 0.017 0.000 1.380 522 G CA 0.137 45.277 45.100 0.067 0.000 1.042 522 G HN 0.840 nan 8.290 nan 0.000 0.557 523 H N -1.581 117.324 119.070 -0.275 0.000 2.525 523 H HA 0.093 4.649 4.556 -0.000 0.000 0.275 523 H C 0.462 175.711 175.328 -0.133 0.000 0.984 523 H CA -0.025 55.783 56.048 -0.400 0.000 1.264 523 H CB 0.006 29.268 29.762 -0.833 0.000 1.432 523 H HN 0.427 nan 8.280 nan 0.000 0.549 524 W N 1.996 123.391 121.300 0.159 0.000 1.518 524 W HA 0.191 4.851 4.660 -0.000 0.000 0.426 524 W C 0.882 177.345 176.519 -0.094 0.000 0.675 524 W CA -0.539 56.789 57.345 -0.028 0.000 1.936 524 W CB 0.354 29.839 29.460 0.043 0.000 1.749 524 W HN 0.036 nan 8.180 nan 0.000 0.247 525 T N 0.728 115.335 114.554 0.088 0.000 2.622 525 T HA -0.298 4.052 4.350 -0.000 0.000 0.266 525 T C 1.776 176.427 174.700 -0.082 0.000 1.047 525 T CA 1.939 64.042 62.100 0.005 0.000 1.159 525 T CB -0.064 68.831 68.868 0.046 0.000 0.863 525 T HN 0.326 nan 8.240 nan 0.000 0.422 526 Q N 1.016 120.696 119.800 -0.200 0.000 2.061 526 Q HA -0.036 4.304 4.340 -0.000 0.000 0.204 526 Q C 2.231 178.112 176.000 -0.197 0.000 0.984 526 Q CA 1.487 57.175 55.803 -0.191 0.000 0.846 526 Q CB -0.730 27.819 28.738 -0.316 0.000 0.902 526 Q HN 0.535 nan 8.270 nan 0.000 0.421 527 I N 0.330 120.773 120.570 -0.211 0.000 2.614 527 I HA -0.183 3.987 4.170 -0.000 0.000 0.258 527 I C 2.320 178.327 176.117 -0.182 0.000 1.189 527 I CA 1.350 62.524 61.300 -0.211 0.000 1.462 527 I CB -0.234 37.618 38.000 -0.247 0.000 1.092 527 I HN 0.253 nan 8.210 nan 0.000 0.442 528 E N 0.940 121.085 120.200 -0.091 0.000 2.099 528 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 528 E C 0.641 177.192 176.600 -0.081 0.000 0.962 528 E CA 0.600 56.976 56.400 -0.040 0.000 0.826 528 E CB 0.495 30.235 29.700 0.067 0.000 0.788 528 E HN -0.043 nan 8.360 nan 0.000 0.461 529 K N 0.973 121.321 120.400 -0.087 0.000 2.753 529 K HA 0.237 4.556 4.320 -0.000 0.000 0.185 529 K C -2.326 174.210 176.600 -0.107 0.000 1.071 529 K CA -2.169 54.066 56.287 -0.086 0.000 0.999 529 K CB 1.596 34.064 32.500 -0.052 0.000 1.244 529 K HN 0.119 nan 8.250 nan 0.000 0.594 530 P HA -0.092 nan 4.420 nan 0.000 0.215 530 P C 1.462 178.716 177.300 -0.076 0.000 1.160 530 P CA 1.078 64.082 63.100 -0.161 0.000 0.869 530 P CB 0.130 31.608 31.700 -0.370 0.000 0.782 531 T N -0.083 114.418 114.554 -0.089 0.000 2.714 531 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 531 T C 1.630 176.325 174.700 -0.009 0.000 1.036 531 T CA 1.821 63.901 62.100 -0.033 0.000 1.148 531 T CB -0.644 68.201 68.868 -0.038 0.000 0.856 531 T HN 0.143 nan 8.240 nan 0.000 0.462 532 E N 0.921 121.109 120.200 -0.020 0.000 2.005 532 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 532 E C 2.477 179.085 176.600 0.014 0.000 0.987 532 E CA 1.231 57.629 56.400 -0.004 0.000 0.814 532 E CB -1.226 28.463 29.700 -0.019 0.000 0.772 532 E HN 0.482 nan 8.360 nan 0.000 0.453 533 V N 2.965 122.884 119.914 0.008 0.000 2.277 533 V HA -0.357 3.763 4.120 -0.000 0.000 0.255 533 V C 2.160 178.293 176.094 0.064 0.000 1.074 533 V CA 2.362 64.684 62.300 0.036 0.000 1.058 533 V CB -0.969 30.876 31.823 0.036 0.000 0.656 533 V HN 0.218 nan 8.190 nan 0.000 0.449 534 N N -0.081 118.655 118.700 0.060 0.000 1.997 534 N HA -0.203 4.536 4.740 -0.000 0.000 0.198 534 N C 1.840 177.394 175.510 0.073 0.000 1.063 534 N CA 1.915 55.010 53.050 0.074 0.000 0.860 534 N CB -0.727 37.800 38.487 0.067 0.000 1.063 534 N HN 0.617 nan 8.380 nan 0.000 0.424 535 Q N 0.462 120.298 119.800 0.060 0.000 2.028 535 Q HA -0.243 4.097 4.340 -0.000 0.000 0.215 535 Q C 2.206 178.257 176.000 0.085 0.000 1.041 535 Q CA 2.138 57.979 55.803 0.064 0.000 0.897 535 Q CB -0.601 28.167 28.738 0.049 0.000 1.017 535 Q HN 0.427 nan 8.270 nan 0.000 0.418 536 I N 0.411 121.030 120.570 0.081 0.000 2.087 536 I HA -0.360 3.809 4.170 -0.000 0.000 0.240 536 I C 2.491 178.702 176.117 0.156 0.000 1.054 536 I CA 1.395 62.755 61.300 0.101 0.000 1.311 536 I CB -0.533 37.508 38.000 0.068 0.000 1.024 536 I HN 0.276 nan 8.210 nan 0.000 0.402 537 L N 0.343 121.651 121.223 0.142 0.000 2.013 537 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 537 L C 2.557 179.544 176.870 0.195 0.000 1.073 537 L CA 1.778 56.735 54.840 0.195 0.000 0.753 537 L CB -0.347 41.792 42.059 0.134 0.000 0.890 537 L HN 0.240 nan 8.230 nan 0.000 0.432 538 I N -0.451 120.189 120.570 0.117 0.000 2.110 538 I HA -0.311 3.858 4.170 -0.000 0.000 0.236 538 I C 2.442 178.629 176.117 0.117 0.000 1.068 538 I CA 1.310 62.660 61.300 0.084 0.000 1.333 538 I CB -0.282 37.773 38.000 0.092 0.000 1.054 538 I HN 0.055 nan 8.210 nan 0.000 0.402 539 K N -0.056 120.425 120.400 0.135 0.000 2.189 539 K HA -0.285 4.035 4.320 -0.000 0.000 0.207 539 K C 1.694 178.409 176.600 0.191 0.000 1.046 539 K CA 2.048 58.419 56.287 0.139 0.000 0.928 539 K CB -0.418 32.160 32.500 0.131 0.000 0.720 539 K HN 0.428 nan 8.250 nan 0.000 0.458 540 W N 0.931 122.247 121.300 0.027 0.000 2.381 540 W HA -0.107 4.553 4.660 -0.000 0.000 0.321 540 W C 1.366 177.898 176.519 0.022 0.000 1.196 540 W CA 1.234 58.596 57.345 0.027 0.000 1.304 540 W CB -0.732 28.738 29.460 0.017 0.000 1.166 540 W HN -0.062 nan 8.180 nan 0.000 0.473 541 L N 1.027 122.114 121.223 -0.227 0.000 2.043 541 L HA -0.317 4.023 4.340 -0.000 0.000 0.212 541 L C 2.862 179.661 176.870 -0.119 0.000 1.075 541 L CA 1.681 56.262 54.840 -0.431 0.000 0.752 541 L CB -1.298 40.467 42.059 -0.491 0.000 0.891 541 L HN 0.104 nan 8.230 nan 0.000 0.432 542 Q N -0.071 119.739 119.800 0.016 0.000 1.921 542 Q HA -0.198 4.142 4.340 -0.000 0.000 0.208 542 Q C 2.293 178.295 176.000 0.004 0.000 0.994 542 Q CA 2.380 58.218 55.803 0.058 0.000 0.857 542 Q CB -1.081 27.702 28.738 0.075 0.000 0.925 542 Q HN 0.685 nan 8.270 nan 0.000 0.421 543 T N -0.387 114.178 114.554 0.018 0.000 2.428 543 T HA -0.215 4.135 4.350 -0.000 0.000 0.248 543 T C 1.120 175.802 174.700 -0.031 0.000 1.284 543 T CA 1.319 63.431 62.100 0.020 0.000 1.217 543 T CB -0.392 68.524 68.868 0.080 0.000 0.864 543 T HN 0.236 nan 8.240 nan 0.000 0.402 544 E N 0.000 120.148 120.200 -0.087 0.000 2.725 544 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 544 E CA 0.000 56.321 56.400 -0.132 0.000 0.976 544 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 544 E HN 0.000 nan 8.360 nan 0.000 0.440