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 1x7f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MERKLGISLY PEHSTKEKDM AYISAAARHG FSRIFTCLLS XXXXXXXXVA DATA SEQUENCE EFKEIINHAK DNNMEVILDV APAVFXXXXX XYSDLSFFAE LGADGIRLDV DATA SEQUENCE GFDGLTEAKM TNNPYGLKIE LNVSNDIAYL ENILSHQANK SALIGCHNFY DATA SEQUENCE PQKFTGLPYD YFIRCSERFK KHGIRSAAFI TSHVANIGPW DINDGLCTLE DATA SEQUENCE EHRNLPIEVQ AKHLWATGLI DDVIIGNAYA SEEELEKLGN LNRYMLQLKV DATA SEQUENCE HFVDEATEVE KRATLQELHV RRGDITEYMV RSTEVRKKYK DYDFPVRESV DATA SEQUENCE LQERGQVVIG NNSFGKYKGE LQIILKEMPI DERKNIVGTI AEEELFLLDY DATA SEQUENCE VGAWTQFTCV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.403 176.300 0.171 0.000 1.140 1 M CA 0.000 55.359 55.300 0.099 0.000 0.988 1 M CB 0.000 32.658 32.600 0.096 0.000 1.302 2 E N 4.607 124.890 120.200 0.139 0.000 2.442 2 E HA 0.164 4.525 4.350 0.018 0.000 0.262 2 E C -1.149 175.525 176.600 0.123 0.000 1.004 2 E CA 0.099 56.608 56.400 0.182 0.000 0.928 2 E CB 0.799 30.561 29.700 0.103 0.000 0.937 2 E HN 0.681 nan 8.360 nan 0.000 0.446 3 R N 3.298 123.814 120.500 0.026 0.000 2.387 3 R HA 0.349 4.699 4.340 0.018 0.000 0.314 3 R C -0.491 175.770 176.300 -0.065 0.000 0.958 3 R CA -0.664 55.351 56.100 -0.140 0.000 0.846 3 R CB 1.633 31.493 30.300 -0.733 0.000 1.147 3 R HN 0.469 nan 8.270 nan 0.000 0.447 4 K N 2.642 123.090 120.400 0.081 0.000 2.208 4 K HA 0.471 4.802 4.320 0.018 0.000 0.247 4 K C -0.622 176.038 176.600 0.100 0.000 0.953 4 K CA -0.779 55.544 56.287 0.060 0.000 0.837 4 K CB 1.844 34.376 32.500 0.053 0.000 1.131 4 K HN 0.221 nan 8.250 nan 0.000 0.431 5 L N 0.998 122.178 121.223 -0.071 0.000 2.309 5 L HA 0.537 4.888 4.340 0.018 0.000 0.282 5 L C 0.332 177.118 176.870 -0.141 0.000 1.036 5 L CA -0.403 54.243 54.840 -0.322 0.000 0.806 5 L CB 1.804 43.225 42.059 -1.063 0.000 1.220 5 L HN 0.769 nan 8.230 nan 0.000 0.429 6 G N 2.709 111.548 108.800 0.065 0.000 2.569 6 G HA2 0.793 4.763 3.960 0.018 0.000 0.300 6 G HA3 0.793 4.763 3.960 0.018 0.000 0.300 6 G C -1.234 173.967 174.900 0.502 0.000 1.269 6 G CA -0.572 44.712 45.100 0.305 0.000 0.959 6 G HN 0.593 nan 8.290 nan 0.000 0.478 7 I N -2.113 118.684 120.570 0.378 0.000 2.828 7 I HA 0.771 4.952 4.170 0.018 0.000 0.302 7 I C -0.304 176.019 176.117 0.344 0.000 1.101 7 I CA -0.928 60.552 61.300 0.300 0.000 1.031 7 I CB 2.425 40.430 38.000 0.008 0.000 1.231 7 I HN 0.283 nan 8.210 nan 0.000 0.427 8 S N 4.052 119.985 115.700 0.389 0.000 2.549 8 S HA 0.762 5.242 4.470 0.018 0.000 0.297 8 S C -0.448 174.203 174.600 0.085 0.000 1.115 8 S CA -0.681 57.697 58.200 0.296 0.000 1.059 8 S CB 1.434 64.891 63.200 0.428 0.000 1.046 8 S HN 0.424 nan 8.310 nan 0.000 0.506 9 L N 2.116 123.200 121.223 -0.231 0.000 2.341 9 L HA 0.563 4.913 4.340 0.018 0.000 0.267 9 L C -1.552 174.878 176.870 -0.732 0.000 1.009 9 L CA -0.792 53.884 54.840 -0.273 0.000 0.819 9 L CB 1.442 43.456 42.059 -0.076 0.000 1.323 9 L HN 0.725 nan 8.230 nan 0.000 0.425 10 Y N 0.902 121.163 120.300 -0.065 0.000 2.535 10 Y HA 0.259 4.819 4.550 0.017 0.000 0.351 10 Y C -2.021 173.786 175.900 -0.156 0.000 1.050 10 Y CA -1.440 56.601 58.100 -0.098 0.000 1.168 10 Y CB 0.687 39.129 38.460 -0.029 0.000 1.116 10 Y HN 0.388 nan 8.280 nan 0.000 0.654 11 P HA -0.178 nan 4.420 nan 0.000 0.218 11 P C 0.926 178.129 177.300 -0.163 0.000 1.148 11 P CA 1.644 64.604 63.100 -0.233 0.000 0.822 11 P CB 0.429 31.760 31.700 -0.615 0.000 0.784 12 E N -1.651 118.446 120.200 -0.171 0.000 2.204 12 E HA -0.167 4.194 4.350 0.018 0.000 0.194 12 E C 1.056 177.557 176.600 -0.164 0.000 0.989 12 E CA 0.756 57.051 56.400 -0.176 0.000 0.824 12 E CB -0.400 29.168 29.700 -0.220 0.000 0.756 12 E HN 0.508 nan 8.360 nan 0.000 0.477 13 H N -0.828 118.242 119.070 -0.001 0.000 2.524 13 H HA 0.319 4.886 4.556 0.018 0.000 0.280 13 H C 0.399 175.702 175.328 -0.041 0.000 1.018 13 H CA 0.080 56.108 56.048 -0.034 0.000 1.165 13 H CB 0.524 30.241 29.762 -0.075 0.000 1.411 13 H HN -0.060 nan 8.280 nan 0.000 0.569 14 S N -0.360 115.374 115.700 0.057 0.000 2.929 14 S HA 0.469 4.950 4.470 0.018 0.000 0.311 14 S C -0.633 173.983 174.600 0.026 0.000 1.213 14 S CA -0.232 58.001 58.200 0.055 0.000 0.908 14 S CB 1.145 64.400 63.200 0.092 0.000 1.287 14 S HN 0.313 nan 8.310 nan 0.000 0.594 15 T N -0.264 114.311 114.554 0.036 0.000 2.932 15 T HA 0.461 4.822 4.350 0.018 0.000 0.289 15 T C 0.937 175.622 174.700 -0.025 0.000 1.039 15 T CA -0.445 61.652 62.100 -0.005 0.000 1.024 15 T CB 1.504 70.368 68.868 -0.006 0.000 1.090 15 T HN 0.821 nan 8.240 nan 0.000 0.496 16 K N 0.830 121.194 120.400 -0.059 0.000 2.147 16 K HA -0.173 4.158 4.320 0.018 0.000 0.205 16 K C 1.329 177.874 176.600 -0.092 0.000 1.049 16 K CA 1.575 57.810 56.287 -0.086 0.000 0.936 16 K CB -0.259 32.186 32.500 -0.093 0.000 0.722 16 K HN 0.623 nan 8.250 nan 0.000 0.446 17 E N 1.643 121.795 120.200 -0.080 0.000 2.017 17 E HA -0.115 4.246 4.350 0.018 0.000 0.193 17 E C 1.906 178.441 176.600 -0.109 0.000 0.997 17 E CA 1.652 57.994 56.400 -0.096 0.000 0.804 17 E CB -0.029 29.629 29.700 -0.071 0.000 0.757 17 E HN 0.325 nan 8.360 nan 0.000 0.448 18 K N 0.485 120.830 120.400 -0.092 0.000 2.211 18 K HA -0.107 4.224 4.320 0.018 0.000 0.203 18 K C 1.310 177.787 176.600 -0.205 0.000 1.050 18 K CA 1.081 57.261 56.287 -0.179 0.000 0.945 18 K CB 0.007 32.417 32.500 -0.150 0.000 0.732 18 K HN 0.132 nan 8.250 nan 0.000 0.451 19 D N 0.819 121.211 120.400 -0.013 0.000 2.123 19 D HA -0.054 4.596 4.640 0.018 0.000 0.200 19 D C 1.892 178.227 176.300 0.058 0.000 0.976 19 D CA 1.078 55.145 54.000 0.112 0.000 0.831 19 D CB 0.047 40.892 40.800 0.075 0.000 0.974 19 D HN 0.150 nan 8.370 nan 0.000 0.469 20 M N 0.444 119.993 119.600 -0.085 0.000 2.132 20 M HA -0.062 4.428 4.480 0.018 0.000 0.263 20 M C 2.315 178.539 176.300 -0.128 0.000 1.065 20 M CA 1.017 56.168 55.300 -0.249 0.000 1.122 20 M CB -0.136 32.109 32.600 -0.591 0.000 1.365 20 M HN -0.056 nan 8.290 nan 0.000 0.411 21 A N -0.367 122.388 122.820 -0.109 0.000 1.940 21 A HA -0.230 4.100 4.320 0.018 0.000 0.219 21 A C 1.998 179.587 177.584 0.008 0.000 1.176 21 A CA 1.538 53.542 52.037 -0.055 0.000 0.631 21 A CB -1.014 17.925 19.000 -0.102 0.000 0.814 21 A HN 0.553 nan 8.150 nan 0.000 0.446 22 Y N 0.338 120.532 120.300 -0.177 0.000 2.163 22 Y HA -0.134 4.427 4.550 0.017 0.000 0.288 22 Y C 2.018 177.895 175.900 -0.038 0.000 1.136 22 Y CA 1.284 59.294 58.100 -0.150 0.000 1.147 22 Y CB -0.421 37.938 38.460 -0.169 0.000 0.987 22 Y HN 0.268 nan 8.280 nan 0.000 0.509 23 I N -0.883 119.699 120.570 0.021 0.000 2.151 23 I HA -0.409 3.772 4.170 0.018 0.000 0.243 23 I C 2.524 178.630 176.117 -0.018 0.000 1.080 23 I CA 1.775 63.067 61.300 -0.013 0.000 1.339 23 I CB -0.597 37.507 38.000 0.173 0.000 1.039 23 I HN 0.116 nan 8.210 nan 0.000 0.409 24 S N 0.436 116.190 115.700 0.090 0.000 2.359 24 S HA -0.205 4.276 4.470 0.018 0.000 0.224 24 S C 2.244 176.821 174.600 -0.038 0.000 1.035 24 S CA 1.411 59.639 58.200 0.048 0.000 1.018 24 S CB -0.412 62.858 63.200 0.116 0.000 0.876 24 S HN 0.562 nan 8.310 nan 0.000 0.448 25 A N 1.576 124.365 122.820 -0.051 0.000 1.883 25 A HA 0.017 4.348 4.320 0.018 0.000 0.217 25 A C 2.365 179.885 177.584 -0.107 0.000 1.186 25 A CA 1.911 53.913 52.037 -0.059 0.000 0.624 25 A CB -1.198 17.797 19.000 -0.009 0.000 0.822 25 A HN 0.542 nan 8.150 nan 0.000 0.444 26 A N -0.408 122.242 122.820 -0.284 0.000 1.972 26 A HA 0.199 4.530 4.320 0.018 0.000 0.219 26 A C 2.444 179.989 177.584 -0.065 0.000 1.169 26 A CA 1.930 53.712 52.037 -0.425 0.000 0.635 26 A CB -0.883 17.648 19.000 -0.781 0.000 0.810 26 A HN 1.080 nan 8.150 nan 0.000 0.446 27 A N 0.867 123.657 122.820 -0.051 0.000 1.972 27 A HA -0.156 4.175 4.320 0.018 0.000 0.219 27 A C 2.141 179.716 177.584 -0.015 0.000 1.169 27 A CA 1.545 53.586 52.037 0.006 0.000 0.635 27 A CB -0.492 18.486 19.000 -0.035 0.000 0.810 27 A HN 0.722 nan 8.150 nan 0.000 0.446 28 R N -1.655 118.776 120.500 -0.115 0.000 2.316 28 R HA -0.030 4.321 4.340 0.018 0.000 0.202 28 R C 0.392 176.485 176.300 -0.346 0.000 1.029 28 R CA 1.380 57.336 56.100 -0.241 0.000 1.018 28 R CB -0.353 29.752 30.300 -0.325 0.000 0.888 28 R HN 0.552 nan 8.270 nan 0.000 0.471 29 H N -0.252 118.894 119.070 0.126 0.000 2.512 29 H HA 0.250 4.817 4.556 0.018 0.000 0.276 29 H C 0.653 176.150 175.328 0.281 0.000 1.126 29 H CA 0.099 56.272 56.048 0.208 0.000 1.060 29 H CB 1.235 31.151 29.762 0.256 0.000 1.646 29 H HN 0.510 nan 8.280 nan 0.000 0.571 30 G N 1.084 110.041 108.800 0.261 0.000 2.143 30 G HA2 -0.289 3.682 3.960 0.018 0.000 0.248 30 G HA3 -0.289 3.682 3.960 0.018 0.000 0.248 30 G C -0.181 174.810 174.900 0.150 0.000 0.991 30 G CA -0.233 44.965 45.100 0.162 0.000 0.689 30 G HN 0.176 nan 8.290 nan 0.000 0.522 31 F N 1.198 121.182 119.950 0.057 0.000 2.443 31 F HA 0.493 5.031 4.527 0.018 0.000 0.353 31 F C 1.451 177.268 175.800 0.028 0.000 1.101 31 F CA 0.139 58.167 58.000 0.047 0.000 1.226 31 F CB 1.792 40.803 39.000 0.019 0.000 1.140 31 F HN 0.257 nan 8.300 nan 0.000 0.557 32 S N 1.829 117.627 115.700 0.163 0.000 2.960 32 S HA 0.318 4.798 4.470 0.018 0.000 0.256 32 S C -0.040 174.621 174.600 0.102 0.000 1.017 32 S CA -0.728 57.536 58.200 0.106 0.000 1.144 32 S CB 0.123 63.362 63.200 0.065 0.000 1.109 32 S HN 0.677 nan 8.310 nan 0.000 0.638 33 R N 0.671 121.253 120.500 0.136 0.000 2.621 33 R HA 0.727 5.077 4.340 0.018 0.000 0.284 33 R C -1.944 174.457 176.300 0.167 0.000 0.998 33 R CA -0.677 55.500 56.100 0.129 0.000 0.895 33 R CB 1.304 31.668 30.300 0.106 0.000 1.195 33 R HN 0.360 nan 8.270 nan 0.000 0.450 34 I N 4.170 124.833 120.570 0.155 0.000 2.465 34 I HA 0.344 4.525 4.170 0.018 0.000 0.291 34 I C -1.039 175.214 176.117 0.227 0.000 1.014 34 I CA -0.937 60.468 61.300 0.176 0.000 1.093 34 I CB 1.945 40.015 38.000 0.117 0.000 1.267 34 I HN 0.539 nan 8.210 nan 0.000 0.431 35 F N 5.982 126.010 119.950 0.129 0.000 2.404 35 F HA 0.545 5.084 4.527 0.019 0.000 0.354 35 F C 0.029 175.860 175.800 0.052 0.000 1.122 35 F CA -0.109 57.975 58.000 0.141 0.000 1.080 35 F CB 1.264 40.447 39.000 0.304 0.000 1.131 35 F HN 0.364 nan 8.300 nan 0.000 0.471 36 T N 5.908 120.073 114.554 -0.648 0.000 2.893 36 T HA 0.508 4.869 4.350 0.018 0.000 0.291 36 T C -1.565 172.727 174.700 -0.680 0.000 1.028 36 T CA -0.487 61.278 62.100 -0.558 0.000 0.995 36 T CB 0.932 69.722 68.868 -0.130 0.000 1.051 36 T HN 0.790 nan 8.240 nan 0.000 0.470 37 C N 5.973 125.000 119.300 -0.454 0.000 2.322 37 C HA 0.755 5.226 4.460 0.018 0.000 0.324 37 C C -0.718 174.289 174.990 0.029 0.000 1.249 37 C CA -0.880 57.990 59.018 -0.246 0.000 1.453 37 C CB -0.354 27.319 27.740 -0.111 0.000 2.145 37 C HN 0.876 nan 8.230 nan 0.000 0.466 38 L N 7.463 128.696 121.223 0.017 0.000 2.283 38 L HA 0.478 4.829 4.340 0.018 0.000 0.281 38 L C 0.140 177.025 176.870 0.026 0.000 1.033 38 L CA 0.194 55.055 54.840 0.035 0.000 0.848 38 L CB 0.741 42.703 42.059 -0.161 0.000 1.226 38 L HN 0.787 nan 8.230 nan 0.000 0.429 39 L N 2.308 123.553 121.223 0.037 0.000 2.221 39 L HA 0.294 4.645 4.340 0.018 0.000 0.202 39 L C 1.127 178.022 176.870 0.041 0.000 1.074 39 L CA 0.649 55.517 54.840 0.046 0.000 0.795 39 L CB -0.206 41.869 42.059 0.027 0.000 0.960 39 L HN 0.691 nan 8.230 nan 0.000 0.458 50 A N 0.102 122.982 122.820 0.099 0.000 1.978 50 A HA -0.195 4.135 4.320 0.018 0.000 0.220 50 A C 1.864 179.487 177.584 0.065 0.000 1.170 50 A CA 2.417 54.493 52.037 0.065 0.000 0.636 50 A CB -0.406 18.621 19.000 0.045 0.000 0.810 50 A HN 0.723 nan 8.150 nan 0.000 0.448 51 E N -1.551 118.696 120.200 0.079 0.000 2.076 51 E HA -0.068 4.292 4.350 0.018 0.000 0.190 51 E C 1.629 178.231 176.600 0.002 0.000 0.979 51 E CA 0.686 57.099 56.400 0.022 0.000 0.807 51 E CB -0.210 29.484 29.700 -0.011 0.000 0.761 51 E HN 0.659 nan 8.360 nan 0.000 0.454 52 F N 1.757 121.705 119.950 -0.003 0.000 2.161 52 F HA -0.195 4.342 4.527 0.017 0.000 0.300 52 F C 2.413 178.199 175.800 -0.023 0.000 1.089 52 F CA 1.356 59.349 58.000 -0.012 0.000 1.282 52 F CB 0.006 39.000 39.000 -0.010 0.000 1.010 52 F HN -0.122 nan 8.300 nan 0.000 0.485 53 K N 0.164 120.655 120.400 0.150 0.000 2.097 53 K HA -0.225 4.106 4.320 0.018 0.000 0.205 53 K C 2.129 178.759 176.600 0.049 0.000 1.050 53 K CA 1.566 57.892 56.287 0.065 0.000 0.938 53 K CB -0.135 32.382 32.500 0.029 0.000 0.718 53 K HN 0.311 nan 8.250 nan 0.000 0.442 54 E N 0.676 120.899 120.200 0.038 0.000 2.028 54 E HA -0.177 4.184 4.350 0.018 0.000 0.191 54 E C 1.969 178.591 176.600 0.038 0.000 0.988 54 E CA 1.227 57.643 56.400 0.026 0.000 0.799 54 E CB -0.068 29.632 29.700 0.001 0.000 0.755 54 E HN 0.249 nan 8.360 nan 0.000 0.447 55 I N 0.935 121.507 120.570 0.003 0.000 2.151 55 I HA -0.321 3.859 4.170 0.018 0.000 0.243 55 I C 2.442 178.604 176.117 0.075 0.000 1.080 55 I CA 1.251 62.555 61.300 0.007 0.000 1.339 55 I CB -0.264 37.683 38.000 -0.089 0.000 1.039 55 I HN 0.246 nan 8.210 nan 0.000 0.409 56 I N 0.331 120.944 120.570 0.072 0.000 2.286 56 I HA -0.282 3.899 4.170 0.018 0.000 0.248 56 I C 2.357 178.514 176.117 0.068 0.000 1.115 56 I CA 1.083 62.430 61.300 0.078 0.000 1.392 56 I CB -0.504 37.547 38.000 0.085 0.000 1.065 56 I HN 0.336 nan 8.210 nan 0.000 0.418 57 N N 0.148 118.889 118.700 0.068 0.000 2.142 57 N HA -0.239 4.512 4.740 0.018 0.000 0.186 57 N C 1.939 177.492 175.510 0.072 0.000 1.023 57 N CA 1.247 54.331 53.050 0.057 0.000 0.852 57 N CB -0.276 38.242 38.487 0.052 0.000 0.998 57 N HN 0.461 nan 8.380 nan 0.000 0.424 58 H N 0.540 119.613 119.070 0.004 0.000 2.353 58 H HA -0.051 4.516 4.556 0.018 0.000 0.300 58 H C 1.700 177.031 175.328 0.005 0.000 1.090 58 H CA 1.550 57.599 56.048 0.001 0.000 1.327 58 H CB 0.217 29.976 29.762 -0.004 0.000 1.383 58 H HN 0.233 nan 8.280 nan 0.000 0.508 59 A N 1.961 124.816 122.820 0.059 0.000 1.883 59 A HA -0.215 4.115 4.320 0.018 0.000 0.217 59 A C 2.435 180.007 177.584 -0.020 0.000 1.186 59 A CA 2.161 54.206 52.037 0.014 0.000 0.624 59 A CB -0.512 18.524 19.000 0.060 0.000 0.822 59 A HN 0.662 nan 8.150 nan 0.000 0.444 60 K N -0.975 119.423 120.400 -0.003 0.000 2.211 60 K HA -0.140 4.191 4.320 0.018 0.000 0.203 60 K C 0.770 177.352 176.600 -0.030 0.000 1.050 60 K CA 1.547 57.831 56.287 -0.005 0.000 0.945 60 K CB -0.313 32.193 32.500 0.011 0.000 0.732 60 K HN 0.262 nan 8.250 nan 0.000 0.451 61 D N 1.283 121.645 120.400 -0.063 0.000 2.219 61 D HA -0.074 4.576 4.640 0.018 0.000 0.205 61 D C 0.742 176.975 176.300 -0.111 0.000 0.970 61 D CA 0.725 54.674 54.000 -0.086 0.000 0.851 61 D CB -0.058 40.675 40.800 -0.112 0.000 0.943 61 D HN 0.303 nan 8.370 nan 0.000 0.488 62 N N 0.805 119.420 118.700 -0.141 0.000 2.320 62 N HA 0.021 4.772 4.740 0.018 0.000 0.237 62 N C -0.622 174.860 175.510 -0.048 0.000 1.129 62 N CA -0.066 52.915 53.050 -0.116 0.000 0.854 62 N CB 0.160 38.544 38.487 -0.172 0.000 1.083 62 N HN 0.113 nan 8.380 nan 0.000 0.504 63 N N 0.428 119.110 118.700 -0.030 0.000 2.716 63 N HA -0.184 4.567 4.740 0.018 0.000 0.250 63 N C -0.810 174.711 175.510 0.018 0.000 1.033 63 N CA 0.680 53.729 53.050 -0.002 0.000 0.727 63 N CB -0.784 37.703 38.487 0.001 0.000 0.950 63 N HN 0.330 nan 8.380 nan 0.000 0.541 64 M N 0.396 120.008 119.600 0.020 0.000 2.205 64 M HA 0.202 4.692 4.480 0.018 0.000 0.344 64 M C 0.366 176.698 176.300 0.052 0.000 1.085 64 M CA -0.408 54.920 55.300 0.046 0.000 1.001 64 M CB 1.660 34.290 32.600 0.050 0.000 1.626 64 M HN 0.099 nan 8.290 nan 0.000 0.442 65 E N 2.839 123.077 120.200 0.063 0.000 2.257 65 E HA 0.276 4.636 4.350 0.018 0.000 0.278 65 E C -1.350 175.297 176.600 0.079 0.000 1.049 65 E CA -0.275 56.165 56.400 0.066 0.000 0.876 65 E CB 0.925 30.666 29.700 0.067 0.000 1.035 65 E HN 0.435 nan 8.360 nan 0.000 0.419 66 V N 6.901 126.858 119.914 0.072 0.000 2.347 66 V HA 0.235 4.366 4.120 0.018 0.000 0.280 66 V C -0.061 176.078 176.094 0.074 0.000 1.021 66 V CA -0.708 61.637 62.300 0.075 0.000 0.847 66 V CB 1.086 32.949 31.823 0.066 0.000 0.990 66 V HN 0.589 nan 8.190 nan 0.000 0.444 67 I N 6.151 126.778 120.570 0.095 0.000 2.330 67 I HA 0.399 4.579 4.170 0.018 0.000 0.289 67 I C -0.078 176.055 176.117 0.028 0.000 1.001 67 I CA -0.526 60.833 61.300 0.098 0.000 1.193 67 I CB 1.570 39.681 38.000 0.186 0.000 1.345 67 I HN 0.417 nan 8.210 nan 0.000 0.461 68 L N 5.688 126.899 121.223 -0.021 0.000 2.276 68 L HA 0.297 4.647 4.340 0.018 0.000 0.286 68 L C -0.046 176.771 176.870 -0.088 0.000 1.061 68 L CA -0.212 54.577 54.840 -0.086 0.000 0.807 68 L CB 1.017 43.049 42.059 -0.045 0.000 1.177 68 L HN 0.480 nan 8.230 nan 0.000 0.429 69 D N 3.667 123.982 120.400 -0.142 0.000 2.427 69 D HA 0.311 4.962 4.640 0.018 0.000 0.226 69 D C -0.952 175.353 176.300 0.008 0.000 1.076 69 D CA -0.195 53.800 54.000 -0.008 0.000 0.849 69 D CB 1.578 42.449 40.800 0.118 0.000 1.052 69 D HN 0.025 nan 8.370 nan 0.000 0.515 70 V N 2.612 122.574 119.914 0.079 0.000 2.459 70 V HA 0.574 4.705 4.120 0.018 0.000 0.295 70 V C 0.603 176.773 176.094 0.128 0.000 1.029 70 V CA -1.258 61.129 62.300 0.144 0.000 0.874 70 V CB 1.434 33.482 31.823 0.375 0.000 0.985 70 V HN 0.694 nan 8.190 nan 0.000 0.438 71 A N 6.278 129.115 122.820 0.028 0.000 2.522 71 A HA 0.365 4.696 4.320 0.018 0.000 0.256 71 A C -1.343 176.086 177.584 -0.258 0.000 1.086 71 A CA -0.782 51.236 52.037 -0.032 0.000 0.763 71 A CB -0.133 18.855 19.000 -0.020 0.000 1.024 71 A HN 0.757 nan 8.150 nan 0.000 0.502 72 P HA -0.112 nan 4.420 nan 0.000 0.229 72 P C 1.239 178.297 177.300 -0.403 0.000 1.150 72 P CA 1.562 64.593 63.100 -0.116 0.000 0.765 72 P CB 0.289 32.096 31.700 0.179 0.000 0.783 73 A N -0.859 121.737 122.820 -0.374 0.000 1.975 73 A HA -0.004 4.327 4.320 0.018 0.000 0.215 73 A C 1.571 178.901 177.584 -0.424 0.000 1.170 73 A CA 0.569 52.435 52.037 -0.285 0.000 0.656 73 A CB -0.873 18.045 19.000 -0.137 0.000 0.821 73 A HN 0.151 nan 8.150 nan 0.000 0.449 74 V N 1.813 121.356 119.914 -0.618 0.000 2.800 74 V HA 0.328 4.459 4.120 0.018 0.000 0.365 74 V C -0.970 174.808 176.094 -0.527 0.000 1.527 74 V CA -0.146 61.876 62.300 -0.463 0.000 1.623 74 V CB -1.705 29.956 31.823 -0.270 0.000 1.407 74 V HN 0.270 nan 8.190 nan 0.000 0.527 83 S N 1.760 117.550 115.700 0.151 0.000 2.945 83 S HA 0.208 4.689 4.470 0.018 0.000 0.227 83 S C -1.370 173.294 174.600 0.107 0.000 1.353 83 S CA -0.054 58.201 58.200 0.091 0.000 1.236 83 S CB -0.506 62.710 63.200 0.027 0.000 1.069 83 S HN 0.201 nan 8.310 nan 0.000 0.509 84 D N 1.874 122.332 120.400 0.096 0.000 2.485 84 D HA 0.235 4.886 4.640 0.018 0.000 0.256 84 D C 0.621 176.972 176.300 0.085 0.000 1.141 84 D CA -0.279 53.792 54.000 0.119 0.000 0.942 84 D CB 0.753 41.584 40.800 0.052 0.000 1.003 84 D HN 0.286 nan 8.370 nan 0.000 0.507 85 L N 0.883 122.244 121.223 0.230 0.000 2.713 85 L HA -0.034 4.316 4.340 0.018 0.000 0.245 85 L C 1.959 178.752 176.870 -0.129 0.000 1.169 85 L CA 0.065 55.066 54.840 0.268 0.000 0.962 85 L CB -0.636 41.691 42.059 0.446 0.000 1.161 85 L HN 0.160 nan 8.230 nan 0.000 0.427 86 S N 0.118 115.551 115.700 -0.446 0.000 2.382 86 S HA -0.251 4.230 4.470 0.018 0.000 0.228 86 S C 1.823 176.147 174.600 -0.460 0.000 1.027 86 S CA 0.768 58.467 58.200 -0.835 0.000 0.991 86 S CB -0.655 62.254 63.200 -0.484 0.000 0.823 86 S HN 0.490 nan 8.310 nan 0.000 0.469 87 F N 2.515 122.150 119.950 -0.525 0.000 2.161 87 F HA -0.069 4.469 4.527 0.017 0.000 0.300 87 F C 1.575 177.094 175.800 -0.468 0.000 1.089 87 F CA 1.067 58.751 58.000 -0.526 0.000 1.282 87 F CB -0.512 38.092 39.000 -0.660 0.000 1.010 87 F HN 0.135 nan 8.300 nan 0.000 0.485 88 F N 0.320 120.155 119.950 -0.190 0.000 2.259 88 F HA 0.037 4.576 4.527 0.019 0.000 0.298 88 F C 2.562 178.217 175.800 -0.240 0.000 1.088 88 F CA 0.821 58.687 58.000 -0.224 0.000 1.358 88 F CB -1.673 37.295 39.000 -0.055 0.000 1.040 88 F HN 0.049 nan 8.300 nan 0.000 0.505 89 A N 0.235 122.981 122.820 -0.122 0.000 1.877 89 A HA -0.142 4.189 4.320 0.018 0.000 0.216 89 A C 2.212 179.699 177.584 -0.162 0.000 1.186 89 A CA 1.524 53.475 52.037 -0.143 0.000 0.620 89 A CB -0.559 18.263 19.000 -0.297 0.000 0.822 89 A HN 0.251 nan 8.150 nan 0.000 0.443 90 E N 0.220 120.268 120.200 -0.253 0.000 2.153 90 E HA -0.140 4.220 4.350 0.018 0.000 0.194 90 E C 2.010 178.481 176.600 -0.215 0.000 0.988 90 E CA 0.759 57.028 56.400 -0.218 0.000 0.811 90 E CB -0.428 29.130 29.700 -0.237 0.000 0.746 90 E HN 0.662 nan 8.360 nan 0.000 0.466 91 L N -0.495 120.546 121.223 -0.304 0.000 2.093 91 L HA -0.087 4.263 4.340 0.018 0.000 0.208 91 L C 1.593 178.415 176.870 -0.079 0.000 1.085 91 L CA 1.265 55.977 54.840 -0.214 0.000 0.755 91 L CB -0.366 41.532 42.059 -0.268 0.000 0.904 91 L HN 0.343 nan 8.230 nan 0.000 0.435 92 G N -0.811 107.953 108.800 -0.061 0.000 2.154 92 G HA2 -0.160 3.811 3.960 0.018 0.000 0.186 92 G HA3 -0.160 3.811 3.960 0.018 0.000 0.186 92 G C 0.307 175.218 174.900 0.018 0.000 1.000 92 G CA -0.107 44.987 45.100 -0.010 0.000 0.664 92 G HN 0.510 nan 8.290 nan 0.000 0.513 93 A N -0.008 122.825 122.820 0.021 0.000 2.445 93 A HA 0.556 4.887 4.320 0.018 0.000 0.242 93 A C 1.065 178.680 177.584 0.052 0.000 1.075 93 A CA 0.781 52.846 52.037 0.046 0.000 0.777 93 A CB 0.339 19.375 19.000 0.060 0.000 1.013 93 A HN 0.217 nan 8.150 nan 0.000 0.493 94 D N 0.531 120.963 120.400 0.054 0.000 2.366 94 D HA 0.257 4.908 4.640 0.018 0.000 0.205 94 D C 0.774 177.109 176.300 0.059 0.000 1.022 94 D CA 1.424 55.459 54.000 0.058 0.000 0.868 94 D CB 0.654 41.489 40.800 0.057 0.000 0.953 94 D HN 0.751 nan 8.370 nan 0.000 0.514 95 G N 0.757 109.585 108.800 0.047 0.000 2.506 95 G HA2 0.506 4.477 3.960 0.018 0.000 0.292 95 G HA3 0.506 4.477 3.960 0.018 0.000 0.292 95 G C -1.667 173.217 174.900 -0.026 0.000 1.425 95 G CA -0.821 44.296 45.100 0.030 0.000 0.788 95 G HN 0.071 nan 8.290 nan 0.000 0.490 96 I N -2.183 118.349 120.570 -0.063 0.000 2.730 96 I HA 0.816 4.996 4.170 0.018 0.000 0.298 96 I C -0.307 175.800 176.117 -0.017 0.000 1.089 96 I CA -1.276 59.936 61.300 -0.148 0.000 1.041 96 I CB 2.490 40.234 38.000 -0.426 0.000 1.235 96 I HN 0.517 nan 8.210 nan 0.000 0.423 97 R N 4.578 125.098 120.500 0.034 0.000 2.349 97 R HA 0.610 4.961 4.340 0.018 0.000 0.299 97 R C -1.189 175.173 176.300 0.103 0.000 1.027 97 R CA -0.558 55.608 56.100 0.110 0.000 0.958 97 R CB 1.070 31.497 30.300 0.211 0.000 1.047 97 R HN 0.769 nan 8.270 nan 0.000 0.468 98 L N 4.767 126.065 121.223 0.125 0.000 2.360 98 L HA 0.150 4.501 4.340 0.018 0.000 0.265 98 L C 0.499 177.409 176.870 0.067 0.000 1.066 98 L CA -0.366 54.550 54.840 0.128 0.000 0.929 98 L CB 1.106 43.289 42.059 0.206 0.000 1.306 98 L HN 0.793 nan 8.230 nan 0.000 0.434 99 D N 1.530 121.959 120.400 0.048 0.000 2.123 99 D HA -0.111 4.540 4.640 0.018 0.000 0.196 99 D C 0.556 176.823 176.300 -0.054 0.000 0.992 99 D CA 1.241 55.248 54.000 0.011 0.000 0.833 99 D CB 0.521 41.343 40.800 0.038 0.000 0.954 99 D HN 0.151 nan 8.370 nan 0.000 0.455 100 V N -0.220 119.629 119.914 -0.108 0.000 2.581 100 V HA 0.683 4.814 4.120 0.018 0.000 0.303 100 V C 0.972 176.819 176.094 -0.412 0.000 1.041 100 V CA -0.528 61.644 62.300 -0.213 0.000 0.907 100 V CB 1.555 33.272 31.823 -0.177 0.000 0.994 100 V HN 0.180 nan 8.190 nan 0.000 0.442 101 G N 1.514 110.053 108.800 -0.434 0.000 2.537 101 G HA2 0.653 4.624 3.960 0.018 0.000 0.297 101 G HA3 0.653 4.624 3.960 0.018 0.000 0.297 101 G C -0.887 173.618 174.900 -0.659 0.000 1.310 101 G CA -0.203 44.622 45.100 -0.459 0.000 1.027 101 G HN 0.438 nan 8.290 nan 0.000 0.505 102 F N -1.652 118.393 119.950 0.158 0.000 3.208 102 F HA 0.297 4.835 4.527 0.018 0.000 0.286 102 F C 1.494 177.370 175.800 0.127 0.000 1.532 102 F CA -0.350 57.719 58.000 0.116 0.000 1.004 102 F CB 0.397 39.457 39.000 0.100 0.000 1.777 102 F HN 0.389 nan 8.300 nan 0.000 0.384 103 D N -0.550 120.051 120.400 0.334 0.000 2.328 103 D HA 0.205 4.856 4.640 0.018 0.000 0.226 103 D C 1.540 177.971 176.300 0.218 0.000 1.066 103 D CA 0.903 55.028 54.000 0.208 0.000 0.861 103 D CB 0.228 41.102 40.800 0.124 0.000 0.912 103 D HN 0.772 nan 8.370 nan 0.000 0.521 104 G N 0.745 109.709 108.800 0.272 0.000 2.417 104 G HA2 -0.392 3.579 3.960 0.018 0.000 0.233 104 G HA3 -0.392 3.579 3.960 0.018 0.000 0.233 104 G C 0.830 175.779 174.900 0.081 0.000 1.103 104 G CA 0.404 45.639 45.100 0.225 0.000 0.647 104 G HN 0.405 nan 8.290 nan 0.000 0.512 105 L N 1.519 122.636 121.223 -0.177 0.000 2.056 105 L HA 0.165 4.516 4.340 0.018 0.000 0.207 105 L C 2.892 179.635 176.870 -0.213 0.000 1.078 105 L CA 3.400 57.928 54.840 -0.519 0.000 0.749 105 L CB -0.963 40.730 42.059 -0.610 0.000 0.901 105 L HN 0.373 nan 8.230 nan 0.000 0.433 106 T N -0.618 113.865 114.554 -0.118 0.000 2.708 106 T HA -0.191 4.169 4.350 0.018 0.000 0.266 106 T C 1.684 176.336 174.700 -0.081 0.000 1.037 106 T CA 1.685 63.687 62.100 -0.164 0.000 1.146 106 T CB -0.214 68.436 68.868 -0.364 0.000 0.865 106 T HN 0.331 nan 8.240 nan 0.000 0.435 107 E N 1.381 121.619 120.200 0.064 0.000 2.038 107 E HA -0.074 4.286 4.350 0.018 0.000 0.195 107 E C 2.457 179.067 176.600 0.017 0.000 1.000 107 E CA 1.282 57.740 56.400 0.097 0.000 0.803 107 E CB -0.595 29.177 29.700 0.119 0.000 0.750 107 E HN 0.483 nan 8.360 nan 0.000 0.448 108 A N 0.861 123.677 122.820 -0.006 0.000 1.892 108 A HA -0.314 4.017 4.320 0.018 0.000 0.218 108 A C 2.003 179.574 177.584 -0.021 0.000 1.188 108 A CA 2.204 54.235 52.037 -0.009 0.000 0.631 108 A CB -0.501 18.511 19.000 0.021 0.000 0.822 108 A HN 0.099 nan 8.150 nan 0.000 0.447 109 K N -1.041 119.331 120.400 -0.046 0.000 2.211 109 K HA 0.067 4.397 4.320 0.018 0.000 0.203 109 K C 1.947 178.533 176.600 -0.025 0.000 1.050 109 K CA 1.349 57.608 56.287 -0.045 0.000 0.945 109 K CB -0.219 32.238 32.500 -0.072 0.000 0.732 109 K HN 0.549 nan 8.250 nan 0.000 0.451 110 M N 0.142 119.734 119.600 -0.013 0.000 2.319 110 M HA -0.114 4.376 4.480 0.018 0.000 0.265 110 M C 1.949 178.267 176.300 0.030 0.000 1.068 110 M CA 1.556 56.868 55.300 0.019 0.000 1.118 110 M CB -0.346 32.276 32.600 0.037 0.000 1.395 110 M HN 0.246 nan 8.290 nan 0.000 0.435 111 T N -2.121 112.442 114.554 0.016 0.000 3.007 111 T HA -0.034 4.327 4.350 0.018 0.000 0.270 111 T C 1.111 175.814 174.700 0.005 0.000 1.107 111 T CA 0.904 63.013 62.100 0.014 0.000 1.118 111 T CB -0.396 68.472 68.868 0.000 0.000 0.889 111 T HN 0.264 nan 8.240 nan 0.000 0.506 112 N N 2.686 121.383 118.700 -0.005 0.000 2.276 112 N HA 0.116 4.867 4.740 0.018 0.000 0.212 112 N C -0.131 175.358 175.510 -0.034 0.000 1.127 112 N CA -0.135 52.904 53.050 -0.019 0.000 0.834 112 N CB -0.331 38.140 38.487 -0.026 0.000 1.014 112 N HN 0.814 nan 8.380 nan 0.000 0.491 113 N N 0.735 119.428 118.700 -0.012 0.000 2.454 113 N HA 0.082 4.833 4.740 0.018 0.000 0.254 113 N C -2.029 173.400 175.510 -0.136 0.000 1.228 113 N CA -0.863 52.168 53.050 -0.032 0.000 0.900 113 N CB 0.694 39.243 38.487 0.103 0.000 1.089 113 N HN -0.123 nan 8.380 nan 0.000 0.449 114 P HA 0.032 nan 4.420 nan 0.000 0.249 114 P C -0.579 176.463 177.300 -0.431 0.000 1.241 114 P CA 0.664 63.509 63.100 -0.424 0.000 0.781 114 P CB -0.103 31.282 31.700 -0.525 0.000 1.088 115 Y N -1.453 118.866 120.300 0.031 0.000 2.458 115 Y HA 0.399 4.960 4.550 0.017 0.000 0.256 115 Y C 1.764 177.685 175.900 0.034 0.000 1.159 115 Y CA -0.073 58.047 58.100 0.034 0.000 1.261 115 Y CB -0.241 38.249 38.460 0.049 0.000 1.119 115 Y HN -0.028 nan 8.280 nan 0.000 0.524 116 G N 1.399 110.266 108.800 0.112 0.000 2.221 116 G HA2 -0.303 3.668 3.960 0.018 0.000 0.265 116 G HA3 -0.303 3.668 3.960 0.018 0.000 0.265 116 G C -0.225 174.735 174.900 0.099 0.000 1.041 116 G CA -0.105 45.044 45.100 0.082 0.000 0.807 116 G HN 0.298 nan 8.290 nan 0.000 0.502 117 L N 0.204 121.504 121.223 0.130 0.000 2.326 117 L HA 0.396 4.747 4.340 0.018 0.000 0.278 117 L C 0.890 177.809 176.870 0.081 0.000 1.092 117 L CA -0.792 54.117 54.840 0.116 0.000 0.810 117 L CB 0.815 42.968 42.059 0.156 0.000 1.153 117 L HN -0.063 nan 8.230 nan 0.000 0.439 118 K N 3.653 124.093 120.400 0.067 0.000 2.270 118 K HA 0.346 4.676 4.320 0.018 0.000 0.276 118 K C -0.458 176.175 176.600 0.056 0.000 1.023 118 K CA -0.424 55.898 56.287 0.059 0.000 0.955 118 K CB 1.346 33.882 32.500 0.059 0.000 0.975 118 K HN 0.347 nan 8.250 nan 0.000 0.471 119 I N 2.493 123.098 120.570 0.059 0.000 2.306 119 I HA 0.165 4.346 4.170 0.018 0.000 0.288 119 I C 0.546 176.714 176.117 0.086 0.000 1.036 119 I CA -0.513 60.828 61.300 0.067 0.000 1.221 119 I CB 0.650 38.691 38.000 0.069 0.000 1.385 119 I HN 0.548 nan 8.210 nan 0.000 0.472 120 E N 6.944 127.198 120.200 0.091 0.000 2.194 120 E HA 0.447 4.808 4.350 0.018 0.000 0.284 120 E C -1.051 175.630 176.600 0.134 0.000 1.035 120 E CA -0.452 56.012 56.400 0.106 0.000 0.836 120 E CB 0.914 30.672 29.700 0.097 0.000 1.070 120 E HN 0.487 nan 8.360 nan 0.000 0.401 121 L N 3.572 124.900 121.223 0.175 0.000 2.375 121 L HA 0.335 4.685 4.340 0.018 0.000 0.268 121 L C 0.462 177.403 176.870 0.119 0.000 1.058 121 L CA -1.115 53.877 54.840 0.253 0.000 0.803 121 L CB 0.992 43.306 42.059 0.424 0.000 1.212 121 L HN 0.526 nan 8.230 nan 0.000 0.451 122 N N 0.545 119.323 118.700 0.130 0.000 2.420 122 N HA 0.074 4.825 4.740 0.018 0.000 0.262 122 N C 0.506 175.920 175.510 -0.161 0.000 1.144 122 N CA -0.040 52.989 53.050 -0.037 0.000 0.952 122 N CB 1.612 40.083 38.487 -0.027 0.000 1.081 122 N HN 0.394 nan 8.380 nan 0.000 0.480 123 V N 2.512 122.108 119.914 -0.530 0.000 2.667 123 V HA -0.106 4.025 4.120 0.018 0.000 0.252 123 V C 1.731 177.510 176.094 -0.524 0.000 1.065 123 V CA 1.198 62.946 62.300 -0.920 0.000 1.083 123 V CB -0.393 30.538 31.823 -1.485 0.000 0.692 123 V HN 0.609 nan 8.190 nan 0.000 0.468 124 S N 0.264 115.809 115.700 -0.260 0.000 2.603 124 S HA 0.008 4.488 4.470 0.018 0.000 0.229 124 S C 0.620 175.333 174.600 0.190 0.000 0.972 124 S CA 0.262 58.533 58.200 0.120 0.000 0.935 124 S CB -0.640 62.783 63.200 0.372 0.000 0.769 124 S HN 0.704 nan 8.310 nan 0.000 0.536 125 N N 2.002 120.741 118.700 0.066 0.000 2.469 125 N HA 0.163 4.913 4.740 0.018 0.000 0.253 125 N C -1.273 174.276 175.510 0.066 0.000 0.970 125 N CA -0.348 52.762 53.050 0.101 0.000 0.940 125 N CB 0.972 39.450 38.487 -0.015 0.000 1.128 125 N HN -0.040 nan 8.380 nan 0.000 0.503 126 D N 4.191 124.639 120.400 0.081 0.000 2.688 126 D HA 0.140 4.791 4.640 0.018 0.000 0.228 126 D C -0.542 175.795 176.300 0.061 0.000 1.116 126 D CA -0.150 53.835 54.000 -0.025 0.000 1.023 126 D CB -0.296 40.392 40.800 -0.187 0.000 1.100 126 D HN 0.481 nan 8.370 nan 0.000 0.487 127 I N -2.906 117.712 120.570 0.080 0.000 3.042 127 I HA 0.661 4.842 4.170 0.018 0.000 0.310 127 I C -0.000 176.188 176.117 0.119 0.000 1.117 127 I CA -1.765 59.588 61.300 0.088 0.000 1.003 127 I CB 1.901 39.943 38.000 0.071 0.000 1.228 127 I HN -0.129 nan 8.210 nan 0.000 0.443 128 A N 2.105 124.985 122.820 0.100 0.000 3.046 128 A HA 0.135 4.465 4.320 0.018 0.000 0.259 128 A C 0.692 178.352 177.584 0.127 0.000 1.843 128 A CA -0.023 52.068 52.037 0.090 0.000 1.451 128 A CB -1.430 17.605 19.000 0.058 0.000 1.025 128 A HN 0.907 nan 8.150 nan 0.000 0.625 129 Y N 0.959 121.255 120.300 -0.006 0.000 2.176 129 Y HA -0.106 4.454 4.550 0.016 0.000 0.291 129 Y C 1.727 177.585 175.900 -0.070 0.000 1.122 129 Y CA 1.291 59.389 58.100 -0.003 0.000 1.128 129 Y CB -0.006 38.482 38.460 0.047 0.000 1.005 129 Y HN 0.459 nan 8.280 nan 0.000 0.509 130 L N 0.367 121.442 121.223 -0.246 0.000 2.012 130 L HA -0.251 4.099 4.340 0.018 0.000 0.210 130 L C 2.170 178.799 176.870 -0.402 0.000 1.073 130 L CA 1.700 56.246 54.840 -0.490 0.000 0.748 130 L CB -0.469 41.162 42.059 -0.714 0.000 0.891 130 L HN 0.254 nan 8.230 nan 0.000 0.431 131 E N -0.252 119.784 120.200 -0.274 0.000 2.160 131 E HA -0.230 4.130 4.350 0.018 0.000 0.195 131 E C 1.809 178.320 176.600 -0.149 0.000 0.991 131 E CA 1.187 57.477 56.400 -0.183 0.000 0.810 131 E CB -0.206 29.458 29.700 -0.060 0.000 0.742 131 E HN 0.359 nan 8.360 nan 0.000 0.466 132 N N 0.291 118.931 118.700 -0.100 0.000 2.080 132 N HA -0.077 4.674 4.740 0.018 0.000 0.189 132 N C 1.555 177.020 175.510 -0.075 0.000 1.036 132 N CA 1.139 54.153 53.050 -0.060 0.000 0.846 132 N CB -0.107 38.423 38.487 0.072 0.000 1.015 132 N HN 0.104 nan 8.380 nan 0.000 0.423 133 I N 0.353 120.872 120.570 -0.085 0.000 2.163 133 I HA -0.264 3.916 4.170 0.018 0.000 0.243 133 I C 1.765 177.849 176.117 -0.056 0.000 1.085 133 I CA 1.005 62.280 61.300 -0.042 0.000 1.347 133 I CB -0.265 37.590 38.000 -0.241 0.000 1.044 133 I HN 0.182 nan 8.210 nan 0.000 0.408 134 L N 0.253 121.375 121.223 -0.169 0.000 2.478 134 L HA -0.074 4.276 4.340 0.018 0.000 0.223 134 L C 2.576 179.360 176.870 -0.143 0.000 1.140 134 L CA 0.870 55.618 54.840 -0.154 0.000 0.842 134 L CB -0.546 41.385 42.059 -0.213 0.000 0.953 134 L HN 0.335 nan 8.230 nan 0.000 0.452 135 S N -1.990 113.579 115.700 -0.218 0.000 2.481 135 S HA -0.044 4.436 4.470 0.018 0.000 0.231 135 S C 0.950 175.355 174.600 -0.326 0.000 0.996 135 S CA 0.055 58.090 58.200 -0.275 0.000 0.942 135 S CB -0.366 62.635 63.200 -0.332 0.000 0.768 135 S HN 0.369 nan 8.310 nan 0.000 0.520 136 H N 0.904 119.947 119.070 -0.045 0.000 2.499 136 H HA 0.408 4.975 4.556 0.019 0.000 0.352 136 H C -0.275 175.029 175.328 -0.041 0.000 1.237 136 H CA -0.537 55.489 56.048 -0.037 0.000 1.343 136 H CB 0.214 29.957 29.762 -0.033 0.000 1.578 136 H HN 0.207 nan 8.280 nan 0.000 0.577 137 Q N 0.648 120.505 119.800 0.096 0.000 2.337 137 Q HA 0.373 4.724 4.340 0.018 0.000 0.255 137 Q C -0.788 175.226 176.000 0.023 0.000 1.205 137 Q CA -0.136 55.687 55.803 0.034 0.000 0.902 137 Q CB 0.083 28.833 28.738 0.020 0.000 1.433 137 Q HN 0.568 nan 8.270 nan 0.000 0.471 138 A N 3.098 125.922 122.820 0.006 0.000 2.371 138 A HA 0.525 4.855 4.320 0.018 0.000 0.311 138 A C -0.654 176.917 177.584 -0.021 0.000 1.068 138 A CA -0.916 51.116 52.037 -0.009 0.000 0.744 138 A CB 1.053 20.042 19.000 -0.018 0.000 1.239 138 A HN 0.522 nan 8.150 nan 0.000 0.435 139 N N 1.886 120.575 118.700 -0.018 0.000 2.508 139 N HA 0.023 4.773 4.740 0.018 0.000 0.253 139 N C 0.890 176.386 175.510 -0.024 0.000 1.145 139 N CA 0.104 53.144 53.050 -0.017 0.000 0.973 139 N CB 0.532 39.013 38.487 -0.010 0.000 1.305 139 N HN 0.693 nan 8.380 nan 0.000 0.506 140 K N 1.600 121.980 120.400 -0.034 0.000 2.160 140 K HA -0.158 4.173 4.320 0.018 0.000 0.206 140 K C 1.337 177.924 176.600 -0.022 0.000 1.047 140 K CA 1.228 57.488 56.287 -0.045 0.000 0.930 140 K CB -0.041 32.431 32.500 -0.047 0.000 0.720 140 K HN 0.540 nan 8.250 nan 0.000 0.450 141 S N -0.371 115.324 115.700 -0.008 0.000 2.474 141 S HA -0.032 4.448 4.470 0.018 0.000 0.235 141 S C 1.700 176.309 174.600 0.014 0.000 0.997 141 S CA 0.915 59.118 58.200 0.005 0.000 0.949 141 S CB 0.015 63.218 63.200 0.006 0.000 0.766 141 S HN 0.371 nan 8.310 nan 0.000 0.517 142 A N 0.634 123.461 122.820 0.011 0.000 2.132 142 A HA 0.444 4.775 4.320 0.018 0.000 0.213 142 A C 0.784 178.387 177.584 0.031 0.000 1.154 142 A CA -0.123 51.928 52.037 0.023 0.000 0.753 142 A CB -0.224 18.789 19.000 0.022 0.000 0.826 142 A HN 0.544 nan 8.150 nan 0.000 0.469 143 L N 1.449 122.685 121.223 0.021 0.000 2.349 143 L HA 0.444 4.795 4.340 0.018 0.000 0.275 143 L C 0.082 176.994 176.870 0.071 0.000 1.115 143 L CA -0.269 54.592 54.840 0.036 0.000 0.820 143 L CB 0.878 42.930 42.059 -0.012 0.000 1.135 143 L HN 0.489 nan 8.230 nan 0.000 0.445 144 I N -0.780 119.855 120.570 0.107 0.000 3.239 144 I HA 0.969 5.150 4.170 0.018 0.000 0.314 144 I C -0.234 176.000 176.117 0.196 0.000 1.126 144 I CA -0.874 60.508 61.300 0.136 0.000 0.973 144 I CB 2.362 40.415 38.000 0.089 0.000 1.252 144 I HN 0.495 nan 8.210 nan 0.000 0.463 145 G N 0.382 109.262 108.800 0.133 0.000 2.638 145 G HA2 0.604 4.574 3.960 0.018 0.000 0.302 145 G HA3 0.604 4.574 3.960 0.018 0.000 0.302 145 G C -1.959 172.820 174.900 -0.202 0.000 1.365 145 G CA -0.577 44.482 45.100 -0.070 0.000 0.987 145 G HN 0.847 nan 8.290 nan 0.000 0.495 146 C N 2.498 121.656 119.300 -0.238 0.000 2.686 146 C HA 0.641 5.112 4.460 0.018 0.000 0.318 146 C C 0.060 174.922 174.990 -0.213 0.000 1.160 146 C CA -0.822 58.062 59.018 -0.223 0.000 1.396 146 C CB 0.435 28.061 27.740 -0.188 0.000 1.924 146 C HN 0.879 nan 8.230 nan 0.000 0.471 147 H N 3.012 121.994 119.070 -0.146 0.000 2.822 147 H HA 0.154 4.720 4.556 0.015 0.000 0.373 147 H C 0.420 175.792 175.328 0.073 0.000 1.223 147 H CA 0.847 56.891 56.048 -0.007 0.000 1.436 147 H CB 0.795 30.629 29.762 0.120 0.000 1.439 147 H HN 0.671 nan 8.280 nan 0.000 0.618 148 N N 0.599 119.414 118.700 0.191 0.000 2.399 148 N HA 0.029 4.780 4.740 0.018 0.000 0.250 148 N C -0.146 175.310 175.510 -0.090 0.000 1.272 148 N CA -0.001 52.963 53.050 -0.144 0.000 0.928 148 N CB 0.465 38.722 38.487 -0.383 0.000 1.158 148 N HN 0.308 nan 8.380 nan 0.000 0.463 149 F N -0.668 119.043 119.950 -0.398 0.000 2.557 149 F HA 0.610 5.147 4.527 0.017 0.000 0.336 149 F C -1.026 174.374 175.800 -0.667 0.000 1.058 149 F CA -1.420 56.361 58.000 -0.365 0.000 0.988 149 F CB 0.375 39.072 39.000 -0.504 0.000 1.275 149 F HN 0.259 nan 8.300 nan 0.000 0.488 150 Y N 0.533 121.049 120.300 0.360 0.000 2.402 150 Y HA 0.397 4.958 4.550 0.018 0.000 0.325 150 Y C -2.222 173.764 175.900 0.143 0.000 1.009 150 Y CA -1.923 56.311 58.100 0.223 0.000 1.278 150 Y CB 1.638 40.171 38.460 0.123 0.000 1.105 150 Y HN 0.360 nan 8.280 nan 0.000 0.476 151 P HA -0.145 nan 4.420 nan 0.000 0.221 151 P C 0.098 177.460 177.300 0.102 0.000 1.150 151 P CA 0.930 64.108 63.100 0.130 0.000 0.800 151 P CB 0.428 32.268 31.700 0.233 0.000 0.787 152 Q N 1.382 121.267 119.800 0.142 0.000 2.294 152 Q HA 0.125 4.475 4.340 0.018 0.000 0.257 152 Q C -0.085 175.958 176.000 0.072 0.000 0.955 152 Q CA -0.776 55.084 55.803 0.096 0.000 0.936 152 Q CB 0.450 29.249 28.738 0.101 0.000 1.188 152 Q HN 0.110 nan 8.270 nan 0.000 0.420 153 K N 3.073 123.478 120.400 0.008 0.000 2.527 153 K HA -0.066 4.265 4.320 0.018 0.000 0.278 153 K C -0.568 176.041 176.600 0.015 0.000 0.981 153 K CA 0.148 56.362 56.287 -0.120 0.000 1.009 153 K CB 0.161 32.515 32.500 -0.244 0.000 0.895 153 K HN 0.757 nan 8.250 nan 0.000 0.493 154 F N -0.732 119.216 119.950 -0.003 0.000 2.748 154 F HA -0.301 4.236 4.527 0.016 0.000 0.370 154 F C 1.252 177.018 175.800 -0.057 0.000 0.620 154 F CA 1.234 59.215 58.000 -0.031 0.000 1.233 154 F CB -1.862 37.121 39.000 -0.029 0.000 1.708 154 F HN 0.866 nan 8.300 nan 0.000 0.298 155 T N -2.008 112.594 114.554 0.079 0.000 3.069 155 T HA 0.445 4.806 4.350 0.018 0.000 0.252 155 T C 1.222 175.750 174.700 -0.285 0.000 1.053 155 T CA 0.377 62.462 62.100 -0.024 0.000 0.964 155 T CB 0.066 68.979 68.868 0.075 0.000 1.005 155 T HN 0.463 nan 8.240 nan 0.000 0.532 156 G N 1.583 110.250 108.800 -0.222 0.000 2.699 156 G HA2 0.486 4.457 3.960 0.018 0.000 0.246 156 G HA3 0.486 4.457 3.960 0.018 0.000 0.246 156 G C -0.124 174.525 174.900 -0.419 0.000 1.219 156 G CA -0.806 44.056 45.100 -0.395 0.000 0.866 156 G HN 0.529 nan 8.290 nan 0.000 0.572 157 L N 1.937 122.945 121.223 -0.359 0.000 2.426 157 L HA 0.228 4.579 4.340 0.018 0.000 0.271 157 L C -1.528 175.311 176.870 -0.052 0.000 1.169 157 L CA -1.473 53.284 54.840 -0.139 0.000 0.836 157 L CB 0.916 43.048 42.059 0.122 0.000 1.112 157 L HN 0.362 nan 8.230 nan 0.000 0.465 158 P HA -0.013 nan 4.420 nan 0.000 0.276 158 P C 0.068 177.470 177.300 0.171 0.000 1.244 158 P CA -0.327 62.819 63.100 0.077 0.000 0.801 158 P CB 0.793 32.534 31.700 0.069 0.000 1.006 159 Y N 1.792 122.129 120.300 0.061 0.000 2.097 159 Y HA -0.259 4.300 4.550 0.014 0.000 0.282 159 Y C 1.903 177.935 175.900 0.220 0.000 1.152 159 Y CA 2.229 60.397 58.100 0.114 0.000 1.136 159 Y CB -0.697 37.821 38.460 0.096 0.000 0.975 159 Y HN 0.265 nan 8.280 nan 0.000 0.498 160 D N -1.159 119.346 120.400 0.176 0.000 2.144 160 D HA -0.231 4.420 4.640 0.018 0.000 0.199 160 D C 1.962 178.300 176.300 0.064 0.000 0.984 160 D CA 1.586 55.636 54.000 0.082 0.000 0.834 160 D CB -0.795 40.095 40.800 0.150 0.000 0.955 160 D HN 0.502 nan 8.370 nan 0.000 0.465 161 Y N 0.583 120.899 120.300 0.027 0.000 2.145 161 Y HA -0.253 4.307 4.550 0.017 0.000 0.286 161 Y C 2.186 178.111 175.900 0.042 0.000 1.145 161 Y CA 1.385 59.505 58.100 0.034 0.000 1.148 161 Y CB -0.586 37.899 38.460 0.042 0.000 0.981 161 Y HN -0.053 nan 8.280 nan 0.000 0.507 162 F N 0.261 120.179 119.950 -0.053 0.000 2.161 162 F HA -0.271 4.267 4.527 0.017 0.000 0.300 162 F C 1.888 177.565 175.800 -0.205 0.000 1.089 162 F CA 1.582 59.495 58.000 -0.146 0.000 1.282 162 F CB -0.440 38.434 39.000 -0.211 0.000 1.010 162 F HN 0.038 nan 8.300 nan 0.000 0.485 163 I N 0.662 121.040 120.570 -0.321 0.000 2.202 163 I HA -0.223 3.958 4.170 0.018 0.000 0.242 163 I C 2.502 178.458 176.117 -0.268 0.000 1.091 163 I CA 1.334 62.419 61.300 -0.358 0.000 1.368 163 I CB -1.324 36.508 38.000 -0.279 0.000 1.058 163 I HN 0.198 nan 8.210 nan 0.000 0.410 164 R N 0.089 120.462 120.500 -0.212 0.000 2.096 164 R HA -0.221 4.130 4.340 0.018 0.000 0.240 164 R C 2.511 178.689 176.300 -0.204 0.000 1.139 164 R CA 2.036 58.032 56.100 -0.174 0.000 0.952 164 R CB -0.740 29.467 30.300 -0.155 0.000 0.854 164 R HN 0.376 nan 8.270 nan 0.000 0.436 165 C N -0.123 118.981 119.300 -0.327 0.000 2.413 165 C HA -0.105 4.366 4.460 0.018 0.000 0.277 165 C C 2.921 177.801 174.990 -0.183 0.000 1.228 165 C CA 1.200 60.055 59.018 -0.271 0.000 1.731 165 C CB -0.821 26.725 27.740 -0.323 0.000 2.042 165 C HN 0.518 nan 8.230 nan 0.000 0.468 166 S N 0.298 115.827 115.700 -0.286 0.000 2.399 166 S HA -0.183 4.298 4.470 0.018 0.000 0.231 166 S C 1.729 176.288 174.600 -0.067 0.000 1.022 166 S CA 1.560 59.622 58.200 -0.230 0.000 0.983 166 S CB -0.400 62.539 63.200 -0.435 0.000 0.803 166 S HN 0.697 nan 8.310 nan 0.000 0.480 167 E N 1.758 121.911 120.200 -0.078 0.000 2.153 167 E HA -0.078 4.283 4.350 0.018 0.000 0.194 167 E C 2.044 178.662 176.600 0.029 0.000 0.988 167 E CA 1.080 57.467 56.400 -0.020 0.000 0.811 167 E CB -0.099 29.578 29.700 -0.038 0.000 0.746 167 E HN 0.393 nan 8.360 nan 0.000 0.466 168 R N -1.029 119.515 120.500 0.073 0.000 2.091 168 R HA -0.122 4.229 4.340 0.018 0.000 0.238 168 R C 2.046 178.447 176.300 0.168 0.000 1.136 168 R CA 1.587 57.764 56.100 0.129 0.000 0.959 168 R CB -0.398 30.011 30.300 0.181 0.000 0.856 168 R HN 0.238 nan 8.270 nan 0.000 0.437 169 F N 0.717 120.672 119.950 0.007 0.000 2.293 169 F HA -0.052 4.484 4.527 0.014 0.000 0.297 169 F C 2.355 178.172 175.800 0.028 0.000 1.089 169 F CA 1.027 59.040 58.000 0.023 0.000 1.377 169 F CB -0.107 38.871 39.000 -0.037 0.000 1.051 169 F HN -0.141 nan 8.300 nan 0.000 0.511 170 K N 0.868 121.362 120.400 0.157 0.000 2.062 170 K HA -0.145 4.186 4.320 0.018 0.000 0.205 170 K C 2.162 178.768 176.600 0.010 0.000 1.051 170 K CA 1.195 57.528 56.287 0.077 0.000 0.941 170 K CB -0.203 32.330 32.500 0.055 0.000 0.719 170 K HN -0.096 nan 8.250 nan 0.000 0.440 171 K N -0.222 120.151 120.400 -0.046 0.000 2.113 171 K HA -0.186 4.145 4.320 0.018 0.000 0.208 171 K C 0.942 177.366 176.600 -0.294 0.000 1.047 171 K CA 1.436 57.610 56.287 -0.188 0.000 0.928 171 K CB -0.103 32.228 32.500 -0.282 0.000 0.716 171 K HN 0.435 nan 8.250 nan 0.000 0.446 172 H N -1.178 117.852 119.070 -0.066 0.000 2.517 172 H HA 0.107 4.674 4.556 0.020 0.000 0.282 172 H C 0.808 176.098 175.328 -0.063 0.000 1.023 172 H CA 0.672 56.665 56.048 -0.092 0.000 1.169 172 H CB 0.610 30.267 29.762 -0.174 0.000 1.454 172 H HN 0.477 nan 8.280 nan 0.000 0.556 173 G N 1.796 110.624 108.800 0.046 0.000 2.225 173 G HA2 -0.295 3.676 3.960 0.018 0.000 0.267 173 G HA3 -0.295 3.676 3.960 0.018 0.000 0.267 173 G C 0.141 175.079 174.900 0.063 0.000 1.024 173 G CA 0.193 45.321 45.100 0.047 0.000 0.784 173 G HN 0.357 nan 8.290 nan 0.000 0.507 174 I N -0.089 120.531 120.570 0.084 0.000 2.353 174 I HA 0.307 4.487 4.170 0.018 0.000 0.293 174 I C 1.216 177.438 176.117 0.175 0.000 0.992 174 I CA -0.952 60.415 61.300 0.112 0.000 1.268 174 I CB 1.148 39.185 38.000 0.062 0.000 1.387 174 I HN 0.113 nan 8.210 nan 0.000 0.478 175 R N 3.804 124.386 120.500 0.135 0.000 2.504 175 R HA 0.078 4.429 4.340 0.018 0.000 0.291 175 R C -0.647 175.723 176.300 0.118 0.000 0.974 175 R CA 0.573 56.742 56.100 0.115 0.000 1.077 175 R CB 0.349 30.703 30.300 0.090 0.000 0.926 175 R HN 0.615 nan 8.270 nan 0.000 0.407 176 S N 1.421 117.169 115.700 0.079 0.000 2.513 176 S HA 0.791 5.272 4.470 0.018 0.000 0.299 176 S C -1.258 173.339 174.600 -0.005 0.000 1.087 176 S CA -0.596 57.606 58.200 0.003 0.000 1.012 176 S CB 2.089 65.285 63.200 -0.007 0.000 1.044 176 S HN 0.750 nan 8.310 nan 0.000 0.485 177 A N 1.435 124.219 122.820 -0.061 0.000 2.498 177 A HA 0.981 5.311 4.320 0.018 0.000 0.298 177 A C -0.871 176.671 177.584 -0.069 0.000 1.075 177 A CA -0.596 51.388 52.037 -0.088 0.000 0.714 177 A CB 1.521 20.425 19.000 -0.160 0.000 1.299 177 A HN 1.122 nan 8.150 nan 0.000 0.407 178 A N 0.174 122.925 122.820 -0.115 0.000 2.569 178 A HA 0.882 5.212 4.320 0.018 0.000 0.290 178 A C -1.446 176.004 177.584 -0.224 0.000 1.136 178 A CA -0.520 51.483 52.037 -0.057 0.000 0.710 178 A CB 0.804 19.874 19.000 0.116 0.000 1.303 178 A HN 0.821 nan 8.150 nan 0.000 0.413 179 F N 0.465 120.456 119.950 0.068 0.000 2.450 179 F HA 0.636 5.173 4.527 0.017 0.000 0.332 179 F C 0.536 176.362 175.800 0.044 0.000 1.093 179 F CA -0.401 57.643 58.000 0.074 0.000 1.003 179 F CB 1.735 40.845 39.000 0.183 0.000 1.151 179 F HN 0.610 nan 8.300 nan 0.000 0.474 180 I N -0.894 119.801 120.570 0.209 0.000 2.910 180 I HA 0.718 4.899 4.170 0.018 0.000 0.310 180 I C -0.745 175.397 176.117 0.042 0.000 1.043 180 I CA -0.643 60.706 61.300 0.081 0.000 1.053 180 I CB 2.226 40.200 38.000 -0.043 0.000 1.242 180 I HN 0.429 nan 8.210 nan 0.000 0.452 181 T N 1.822 116.338 114.554 -0.064 0.000 2.829 181 T HA 0.353 4.714 4.350 0.018 0.000 0.280 181 T C -0.402 174.100 174.700 -0.330 0.000 0.999 181 T CA -0.333 61.667 62.100 -0.166 0.000 0.983 181 T CB 1.233 69.998 68.868 -0.171 0.000 0.968 181 T HN 0.809 nan 8.240 nan 0.000 0.446 182 S N 2.595 118.141 115.700 -0.255 0.000 2.584 182 S HA 0.244 4.725 4.470 0.018 0.000 0.273 182 S C 0.685 175.055 174.600 -0.382 0.000 1.311 182 S CA -0.398 57.640 58.200 -0.270 0.000 1.034 182 S CB 0.327 63.480 63.200 -0.078 0.000 0.939 182 S HN 0.820 nan 8.310 nan 0.000 0.513 183 H N 3.113 122.178 119.070 -0.009 0.000 2.586 183 H HA 0.268 4.834 4.556 0.017 0.000 0.273 183 H C 1.183 176.500 175.328 -0.018 0.000 0.997 183 H CA 0.384 56.420 56.048 -0.020 0.000 1.177 183 H CB 0.169 29.922 29.762 -0.016 0.000 1.471 183 H HN 0.386 nan 8.280 nan 0.000 0.538 184 V N 0.170 120.112 119.914 0.046 0.000 2.908 184 V HA 0.226 4.356 4.120 0.018 0.000 0.240 184 V C 1.438 177.527 176.094 -0.009 0.000 1.117 184 V CA 0.485 62.803 62.300 0.030 0.000 1.133 184 V CB -0.353 31.494 31.823 0.041 0.000 0.857 184 V HN 0.316 nan 8.190 nan 0.000 0.478 185 A N 1.595 124.394 122.820 -0.035 0.000 2.587 185 A HA 0.009 4.340 4.320 0.018 0.000 0.235 185 A C 0.904 178.416 177.584 -0.119 0.000 1.044 185 A CA 0.649 52.634 52.037 -0.088 0.000 0.754 185 A CB -0.186 18.752 19.000 -0.103 0.000 0.968 185 A HN 0.498 nan 8.150 nan 0.000 0.509 186 N N 0.571 119.178 118.700 -0.155 0.000 2.197 186 N HA 0.206 4.957 4.740 0.018 0.000 0.201 186 N C -0.437 174.937 175.510 -0.227 0.000 1.148 186 N CA 0.337 53.291 53.050 -0.160 0.000 0.883 186 N CB 0.358 38.775 38.487 -0.117 0.000 1.012 186 N HN 0.680 nan 8.380 nan 0.000 0.507 187 I N 0.412 120.807 120.570 -0.293 0.000 2.404 187 I HA 0.515 4.696 4.170 0.018 0.000 0.293 187 I C 0.619 176.445 176.117 -0.485 0.000 0.992 187 I CA -0.710 60.373 61.300 -0.362 0.000 1.149 187 I CB 2.001 39.798 38.000 -0.339 0.000 1.315 187 I HN -0.134 nan 8.210 nan 0.000 0.446 188 G N 5.425 113.836 108.800 -0.648 0.000 2.949 188 G HA2 0.517 4.488 3.960 0.018 0.000 0.285 188 G HA3 0.517 4.488 3.960 0.018 0.000 0.285 188 G C -2.397 171.868 174.900 -1.058 0.000 1.395 188 G CA -0.838 43.677 45.100 -0.975 0.000 0.901 188 G HN 0.324 nan 8.290 nan 0.000 0.519 189 P HA 0.011 nan 4.420 nan 0.000 0.217 189 P C -0.231 176.690 177.300 -0.631 0.000 1.151 189 P CA 1.092 63.646 63.100 -0.910 0.000 0.828 189 P CB 0.253 31.110 31.700 -1.405 0.000 0.788 190 W N 0.451 121.690 121.300 -0.101 0.000 3.075 190 W HA 0.267 4.937 4.660 0.017 0.000 0.334 190 W C 1.456 177.885 176.519 -0.151 0.000 1.288 190 W CA -0.641 56.659 57.345 -0.076 0.000 1.095 190 W CB -0.302 29.142 29.460 -0.028 0.000 1.564 190 W HN -0.237 nan 8.180 nan 0.000 0.629 191 D N 0.200 120.699 120.400 0.165 0.000 2.097 191 D HA -0.124 4.527 4.640 0.018 0.000 0.197 191 D C 0.674 176.985 176.300 0.017 0.000 0.984 191 D CA 1.365 55.383 54.000 0.031 0.000 0.826 191 D CB -0.416 40.402 40.800 0.030 0.000 0.973 191 D HN -0.036 nan 8.370 nan 0.000 0.460 192 I N 1.316 121.927 120.570 0.070 0.000 2.452 192 I HA 0.221 4.402 4.170 0.018 0.000 0.287 192 I C 0.041 176.182 176.117 0.041 0.000 1.079 192 I CA -0.061 61.265 61.300 0.044 0.000 1.387 192 I CB -0.223 37.806 38.000 0.049 0.000 1.404 192 I HN 0.067 nan 8.210 nan 0.000 0.522 193 N N 5.757 124.442 118.700 -0.024 0.000 2.640 193 N HA 0.198 4.949 4.740 0.018 0.000 0.262 193 N C -0.524 174.944 175.510 -0.070 0.000 1.174 193 N CA -0.298 52.708 53.050 -0.074 0.000 0.791 193 N CB 0.960 39.355 38.487 -0.154 0.000 1.279 193 N HN 0.315 nan 8.380 nan 0.000 0.535 194 D N 1.764 122.135 120.400 -0.049 0.000 2.395 194 D HA 0.306 4.957 4.640 0.018 0.000 0.226 194 D C 0.706 176.966 176.300 -0.067 0.000 1.146 194 D CA 0.412 54.380 54.000 -0.053 0.000 0.830 194 D CB -0.077 40.695 40.800 -0.047 0.000 0.958 194 D HN 0.806 nan 8.370 nan 0.000 0.501 195 G N 0.546 109.287 108.800 -0.099 0.000 2.675 195 G HA2 -0.142 3.828 3.960 0.018 0.000 0.686 195 G HA3 -0.142 3.828 3.960 0.018 0.000 0.686 195 G C -0.791 174.009 174.900 -0.167 0.000 1.215 195 G CA -0.973 44.052 45.100 -0.125 0.000 0.777 195 G HN 0.183 nan 8.290 nan 0.000 0.638 196 L N 1.503 122.573 121.223 -0.255 0.000 2.502 196 L HA 0.474 4.825 4.340 0.018 0.000 0.247 196 L C 0.846 177.600 176.870 -0.193 0.000 1.180 196 L CA -0.769 53.804 54.840 -0.444 0.000 0.956 196 L CB 0.296 41.750 42.059 -1.009 0.000 1.282 196 L HN 0.969 nan 8.230 nan 0.000 0.470 197 C N -2.452 116.868 119.300 0.033 0.000 2.913 197 C HA 0.657 5.127 4.460 0.018 0.000 0.322 197 C C 1.549 176.719 174.990 0.301 0.000 1.292 197 C CA -0.408 58.715 59.018 0.175 0.000 1.649 197 C CB 1.653 29.470 27.740 0.129 0.000 2.139 197 C HN 0.573 nan 8.230 nan 0.000 0.475 198 T N 0.592 115.321 114.554 0.292 0.000 2.814 198 T HA 0.113 4.473 4.350 0.018 0.000 0.254 198 T C 0.688 175.440 174.700 0.088 0.000 1.037 198 T CA 0.838 63.123 62.100 0.308 0.000 1.143 198 T CB -0.259 68.722 68.868 0.188 0.000 0.866 198 T HN 0.549 nan 8.240 nan 0.000 0.431 199 L N 2.328 123.422 121.223 -0.214 0.000 2.331 199 L HA 0.206 4.556 4.340 0.018 0.000 0.278 199 L C 1.666 178.406 176.870 -0.216 0.000 1.106 199 L CA -0.344 54.250 54.840 -0.410 0.000 0.824 199 L CB 1.145 42.640 42.059 -0.940 0.000 1.142 199 L HN 0.097 nan 8.230 nan 0.000 0.443 200 E N 2.205 122.308 120.200 -0.162 0.000 2.118 200 E HA -0.257 4.104 4.350 0.018 0.000 0.195 200 E C 1.684 178.227 176.600 -0.096 0.000 0.992 200 E CA 1.822 58.163 56.400 -0.099 0.000 0.804 200 E CB 0.121 29.785 29.700 -0.061 0.000 0.741 200 E HN 0.684 nan 8.360 nan 0.000 0.458 201 E N -1.144 118.975 120.200 -0.134 0.000 2.409 201 E HA -0.209 4.151 4.350 0.018 0.000 0.198 201 E C 1.360 177.956 176.600 -0.007 0.000 1.024 201 E CA 1.110 57.447 56.400 -0.105 0.000 0.861 201 E CB -0.474 29.131 29.700 -0.158 0.000 0.788 201 E HN 0.581 nan 8.360 nan 0.000 0.521 202 H N 0.059 119.075 119.070 -0.089 0.000 2.551 202 H HA 0.166 4.733 4.556 0.019 0.000 0.266 202 H C 2.058 177.375 175.328 -0.018 0.000 0.964 202 H CA -0.005 56.011 56.048 -0.054 0.000 1.180 202 H CB 0.304 30.034 29.762 -0.053 0.000 1.408 202 H HN 0.057 nan 8.280 nan 0.000 0.563 203 R N 1.107 121.651 120.500 0.074 0.000 2.117 203 R HA -0.104 4.246 4.340 0.018 0.000 0.243 203 R C 0.355 176.718 176.300 0.106 0.000 1.143 203 R CA 1.407 57.529 56.100 0.035 0.000 0.968 203 R CB 0.189 30.444 30.300 -0.076 0.000 0.863 203 R HN 0.307 nan 8.270 nan 0.000 0.444 204 N N -0.197 118.536 118.700 0.055 0.000 2.351 204 N HA 0.134 4.885 4.740 0.018 0.000 0.254 204 N C -0.945 174.553 175.510 -0.020 0.000 1.241 204 N CA -0.024 53.029 53.050 0.005 0.000 0.883 204 N CB 1.032 39.477 38.487 -0.071 0.000 1.202 204 N HN 0.127 nan 8.380 nan 0.000 0.512 205 L N 1.212 122.488 121.223 0.088 0.000 2.344 205 L HA 0.502 4.853 4.340 0.018 0.000 0.272 205 L C -2.166 174.812 176.870 0.181 0.000 1.035 205 L CA -1.876 53.007 54.840 0.071 0.000 0.807 205 L CB 1.543 43.627 42.059 0.041 0.000 1.237 205 L HN -0.271 nan 8.230 nan 0.000 0.442 206 P HA -0.013 nan 4.420 nan 0.000 0.265 206 P C 0.829 178.198 177.300 0.115 0.000 1.187 206 P CA 0.291 63.474 63.100 0.138 0.000 0.766 206 P CB 0.757 32.502 31.700 0.075 0.000 0.820 207 I N 2.765 123.405 120.570 0.117 0.000 2.264 207 I HA -0.249 3.932 4.170 0.018 0.000 0.248 207 I C 2.004 178.107 176.117 -0.023 0.000 1.111 207 I CA 1.613 62.917 61.300 0.007 0.000 1.382 207 I CB -0.056 37.942 38.000 -0.004 0.000 1.060 207 I HN 0.459 nan 8.210 nan 0.000 0.418 208 E N 0.523 120.731 120.200 0.014 0.000 2.208 208 E HA -0.130 4.230 4.350 0.018 0.000 0.193 208 E C 2.043 178.639 176.600 -0.008 0.000 0.988 208 E CA 1.195 57.601 56.400 0.009 0.000 0.828 208 E CB -0.701 29.024 29.700 0.042 0.000 0.763 208 E HN 0.406 nan 8.360 nan 0.000 0.478 209 V N 1.813 121.729 119.914 0.003 0.000 2.379 209 V HA -0.252 3.879 4.120 0.018 0.000 0.245 209 V C 2.639 178.714 176.094 -0.032 0.000 1.044 209 V CA 2.005 64.322 62.300 0.029 0.000 1.036 209 V CB -0.706 31.175 31.823 0.097 0.000 0.664 209 V HN 0.210 nan 8.190 nan 0.000 0.453 210 Q N 0.360 120.034 119.800 -0.210 0.000 2.096 210 Q HA -0.267 4.084 4.340 0.018 0.000 0.208 210 Q C 2.414 178.178 176.000 -0.394 0.000 0.993 210 Q CA 2.133 57.579 55.803 -0.596 0.000 0.862 210 Q CB -0.516 27.900 28.738 -0.535 0.000 0.915 210 Q HN 0.673 nan 8.270 nan 0.000 0.416 211 A N 1.337 123.971 122.820 -0.310 0.000 1.873 211 A HA -0.202 4.128 4.320 0.018 0.000 0.215 211 A C 1.956 179.325 177.584 -0.358 0.000 1.186 211 A CA 1.484 53.222 52.037 -0.498 0.000 0.616 211 A CB -0.347 18.340 19.000 -0.521 0.000 0.823 211 A HN 0.190 nan 8.150 nan 0.000 0.442 212 K N -1.252 119.109 120.400 -0.065 0.000 2.044 212 K HA -0.244 4.086 4.320 0.018 0.000 0.210 212 K C 2.106 178.755 176.600 0.082 0.000 1.049 212 K CA 1.836 58.176 56.287 0.089 0.000 0.927 212 K CB -0.443 32.089 32.500 0.054 0.000 0.713 212 K HN 0.809 nan 8.250 nan 0.000 0.443 213 H N 0.766 119.808 119.070 -0.046 0.000 2.293 213 H HA -0.099 4.467 4.556 0.016 0.000 0.300 213 H C 2.210 177.523 175.328 -0.024 0.000 1.082 213 H CA 1.403 57.457 56.048 0.010 0.000 1.308 213 H CB 0.046 30.013 29.762 0.340 0.000 1.375 213 H HN 0.068 nan 8.280 nan 0.000 0.495 214 L N -0.237 120.937 121.223 -0.083 0.000 2.013 214 L HA -0.282 4.068 4.340 0.018 0.000 0.212 214 L C 2.609 179.467 176.870 -0.019 0.000 1.073 214 L CA 1.194 55.956 54.840 -0.131 0.000 0.753 214 L CB -0.544 41.371 42.059 -0.240 0.000 0.890 214 L HN 0.510 nan 8.230 nan 0.000 0.432 215 W N -0.154 121.129 121.300 -0.029 0.000 2.436 215 W HA -0.022 4.647 4.660 0.016 0.000 0.284 215 W C 2.653 179.149 176.519 -0.038 0.000 1.225 215 W CA 0.947 58.263 57.345 -0.048 0.000 1.271 215 W CB -0.757 28.646 29.460 -0.094 0.000 1.114 215 W HN 0.161 nan 8.180 nan 0.000 0.559 216 A N 0.454 123.348 122.820 0.124 0.000 2.067 216 A HA -0.167 4.164 4.320 0.018 0.000 0.219 216 A C 1.979 179.544 177.584 -0.031 0.000 1.158 216 A CA 2.268 54.293 52.037 -0.021 0.000 0.661 216 A CB -1.164 17.687 19.000 -0.249 0.000 0.801 216 A HN 0.289 nan 8.150 nan 0.000 0.452 217 T N -3.566 110.989 114.554 0.003 0.000 2.929 217 T HA 0.206 4.567 4.350 0.018 0.000 0.271 217 T C 1.686 176.525 174.700 0.232 0.000 1.085 217 T CA 1.349 63.583 62.100 0.223 0.000 1.125 217 T CB -0.662 68.363 68.868 0.261 0.000 0.874 217 T HN 1.681 nan 8.240 nan 0.000 0.494 218 G N 1.086 110.000 108.800 0.189 0.000 2.168 218 G HA2 -0.243 3.728 3.960 0.018 0.000 0.263 218 G HA3 -0.243 3.728 3.960 0.018 0.000 0.263 218 G C 0.597 175.583 174.900 0.142 0.000 0.977 218 G CA 0.524 45.727 45.100 0.172 0.000 0.659 218 G HN 0.600 nan 8.290 nan 0.000 0.533 219 L N -0.352 120.949 121.223 0.130 0.000 2.766 219 L HA 0.444 4.794 4.340 0.018 0.000 0.242 219 L C 0.261 177.174 176.870 0.072 0.000 1.136 219 L CA -0.191 54.693 54.840 0.074 0.000 0.933 219 L CB 0.334 42.394 42.059 0.002 0.000 1.241 219 L HN 0.091 nan 8.230 nan 0.000 0.522 220 I N -0.031 120.616 120.570 0.128 0.000 2.466 220 I HA 0.209 4.390 4.170 0.018 0.000 0.289 220 I C 0.097 176.342 176.117 0.213 0.000 1.026 220 I CA -0.181 61.197 61.300 0.130 0.000 1.078 220 I CB 1.885 39.950 38.000 0.108 0.000 1.249 220 I HN -0.027 nan 8.210 nan 0.000 0.429 221 D N 2.927 123.431 120.400 0.172 0.000 2.290 221 D HA 0.024 4.675 4.640 0.018 0.000 0.224 221 D C -0.187 176.284 176.300 0.286 0.000 0.967 221 D CA 1.057 55.180 54.000 0.205 0.000 0.893 221 D CB 0.612 41.489 40.800 0.129 0.000 1.037 221 D HN 0.448 nan 8.370 nan 0.000 0.477 222 D N 0.461 120.952 120.400 0.152 0.000 2.192 222 D HA 0.349 4.999 4.640 0.018 0.000 0.246 222 D C -0.499 175.776 176.300 -0.042 0.000 1.042 222 D CA -0.463 53.599 54.000 0.104 0.000 0.847 222 D CB 2.875 43.696 40.800 0.034 0.000 1.186 222 D HN -0.262 nan 8.370 nan 0.000 0.461 223 V N 3.395 123.249 119.914 -0.100 0.000 2.357 223 V HA 0.430 4.560 4.120 0.018 0.000 0.284 223 V C 0.066 176.067 176.094 -0.155 0.000 1.018 223 V CA -0.627 61.499 62.300 -0.290 0.000 0.841 223 V CB 1.078 32.473 31.823 -0.714 0.000 0.991 223 V HN 0.387 nan 8.190 nan 0.000 0.437 224 I N 5.619 126.105 120.570 -0.139 0.000 2.406 224 I HA 0.472 4.652 4.170 0.018 0.000 0.290 224 I C -0.157 176.085 176.117 0.209 0.000 0.999 224 I CA -0.609 60.699 61.300 0.013 0.000 1.124 224 I CB 2.015 39.903 38.000 -0.187 0.000 1.289 224 I HN 0.421 nan 8.210 nan 0.000 0.441 225 I N 5.165 125.917 120.570 0.304 0.000 2.517 225 I HA 0.080 4.261 4.170 0.018 0.000 0.285 225 I C 1.511 177.860 176.117 0.388 0.000 1.106 225 I CA 0.302 61.780 61.300 0.297 0.000 1.402 225 I CB 0.861 39.023 38.000 0.271 0.000 1.399 225 I HN 0.843 nan 8.210 nan 0.000 0.535 226 G N 6.311 115.289 108.800 0.296 0.000 2.430 226 G HA2 -0.077 3.894 3.960 0.018 0.000 0.216 226 G HA3 -0.077 3.894 3.960 0.018 0.000 0.216 226 G C 0.505 175.349 174.900 -0.093 0.000 1.146 226 G CA -0.143 44.980 45.100 0.040 0.000 0.793 226 G HN 0.785 nan 8.290 nan 0.000 0.537 227 N N -0.619 118.025 118.700 -0.092 0.000 2.477 227 N HA 0.650 5.400 4.740 0.018 0.000 0.284 227 N C -0.811 174.711 175.510 0.021 0.000 1.182 227 N CA -0.570 52.425 53.050 -0.090 0.000 0.949 227 N CB 1.888 40.237 38.487 -0.230 0.000 1.204 227 N HN 0.089 nan 8.380 nan 0.000 0.526 228 A N 0.550 123.313 122.820 -0.095 0.000 2.435 228 A HA 0.519 4.849 4.320 0.018 0.000 0.304 228 A C -1.775 175.485 177.584 -0.539 0.000 1.064 228 A CA -0.693 51.144 52.037 -0.333 0.000 0.727 228 A CB 0.799 19.507 19.000 -0.487 0.000 1.284 228 A HN 0.709 nan 8.150 nan 0.000 0.415 229 Y N 1.052 121.165 120.300 -0.311 0.000 2.330 229 Y HA 0.535 5.096 4.550 0.018 0.000 0.336 229 Y C 0.960 176.750 175.900 -0.182 0.000 1.036 229 Y CA -0.266 57.476 58.100 -0.596 0.000 1.125 229 Y CB 1.751 39.763 38.460 -0.746 0.000 1.194 229 Y HN 0.871 nan 8.280 nan 0.000 0.469 230 A N 2.259 125.206 122.820 0.211 0.000 2.483 230 A HA 0.322 4.653 4.320 0.018 0.000 0.238 230 A C 0.436 178.139 177.584 0.200 0.000 1.070 230 A CA -0.332 51.823 52.037 0.197 0.000 0.770 230 A CB -0.151 18.970 19.000 0.203 0.000 1.008 230 A HN 0.816 nan 8.150 nan 0.000 0.497 231 S N 0.818 116.585 115.700 0.110 0.000 2.584 231 S HA 0.131 4.612 4.470 0.018 0.000 0.270 231 S C 0.952 175.595 174.600 0.072 0.000 1.346 231 S CA 0.521 58.773 58.200 0.086 0.000 1.018 231 S CB 0.813 64.048 63.200 0.057 0.000 0.899 231 S HN 0.835 nan 8.310 nan 0.000 0.542 232 E N 1.169 121.407 120.200 0.064 0.000 2.086 232 E HA -0.231 4.130 4.350 0.018 0.000 0.200 232 E C 1.558 178.147 176.600 -0.019 0.000 1.012 232 E CA 2.188 58.619 56.400 0.052 0.000 0.812 232 E CB -0.462 29.284 29.700 0.076 0.000 0.743 232 E HN 0.798 nan 8.360 nan 0.000 0.453 233 E N 0.435 120.636 120.200 0.001 0.000 2.110 233 E HA -0.149 4.212 4.350 0.018 0.000 0.193 233 E C 2.031 178.617 176.600 -0.024 0.000 0.988 233 E CA 1.431 57.823 56.400 -0.013 0.000 0.804 233 E CB -0.142 29.569 29.700 0.017 0.000 0.745 233 E HN 0.459 nan 8.360 nan 0.000 0.458 234 E N 0.119 120.321 120.200 0.005 0.000 2.072 234 E HA -0.114 4.246 4.350 0.018 0.000 0.191 234 E C 2.086 178.702 176.600 0.026 0.000 0.985 234 E CA 0.705 57.122 56.400 0.029 0.000 0.801 234 E CB -0.132 29.600 29.700 0.054 0.000 0.750 234 E HN 0.207 nan 8.360 nan 0.000 0.452 235 L N 0.998 122.200 121.223 -0.035 0.000 2.042 235 L HA -0.222 4.129 4.340 0.018 0.000 0.210 235 L C 2.673 179.414 176.870 -0.215 0.000 1.076 235 L CA 1.301 56.097 54.840 -0.073 0.000 0.749 235 L CB -0.395 41.555 42.059 -0.182 0.000 0.893 235 L HN 0.190 nan 8.230 nan 0.000 0.432 236 E N 0.616 120.492 120.200 -0.540 0.000 2.047 236 E HA -0.234 4.126 4.350 0.018 0.000 0.191 236 E C 2.192 178.718 176.600 -0.124 0.000 0.987 236 E CA 1.115 57.158 56.400 -0.595 0.000 0.799 236 E CB 0.122 29.585 29.700 -0.396 0.000 0.752 236 E HN 0.361 nan 8.360 nan 0.000 0.449 237 K N 0.232 120.604 120.400 -0.047 0.000 2.044 237 K HA -0.176 4.155 4.320 0.018 0.000 0.210 237 K C 2.289 178.930 176.600 0.069 0.000 1.049 237 K CA 1.480 57.782 56.287 0.025 0.000 0.927 237 K CB -0.154 32.367 32.500 0.035 0.000 0.713 237 K HN 0.209 nan 8.250 nan 0.000 0.443 238 L N -0.488 120.799 121.223 0.106 0.000 2.056 238 L HA -0.096 4.254 4.340 0.018 0.000 0.207 238 L C 2.508 179.463 176.870 0.141 0.000 1.078 238 L CA 1.291 56.218 54.840 0.144 0.000 0.749 238 L CB -0.597 41.595 42.059 0.223 0.000 0.901 238 L HN 0.346 nan 8.230 nan 0.000 0.433 239 G N -0.547 108.362 108.800 0.181 0.000 2.443 239 G HA2 -0.218 3.752 3.960 0.018 0.000 0.219 239 G HA3 -0.218 3.752 3.960 0.018 0.000 0.219 239 G C 1.316 176.293 174.900 0.127 0.000 1.131 239 G CA 0.386 45.596 45.100 0.183 0.000 0.775 239 G HN 0.298 nan 8.290 nan 0.000 0.547 240 N N 0.124 118.888 118.700 0.107 0.000 2.459 240 N HA 0.063 4.814 4.740 0.018 0.000 0.181 240 N C 0.947 176.498 175.510 0.069 0.000 1.046 240 N CA 0.009 53.109 53.050 0.084 0.000 0.904 240 N CB -0.074 38.456 38.487 0.070 0.000 0.964 240 N HN 0.272 nan 8.380 nan 0.000 0.444 241 L N 1.269 122.543 121.223 0.084 0.000 2.456 241 L HA 0.049 4.400 4.340 0.018 0.000 0.272 241 L C 0.909 177.787 176.870 0.013 0.000 1.189 241 L CA -0.290 54.602 54.840 0.086 0.000 0.846 241 L CB 0.207 42.382 42.059 0.193 0.000 1.111 241 L HN 0.083 nan 8.230 nan 0.000 0.475 242 N N 2.359 121.061 118.700 0.003 0.000 2.442 242 N HA 0.063 4.813 4.740 0.018 0.000 0.265 242 N C 0.691 176.089 175.510 -0.185 0.000 1.138 242 N CA 0.147 53.166 53.050 -0.052 0.000 0.956 242 N CB 0.891 39.383 38.487 0.008 0.000 1.067 242 N HN 0.491 nan 8.380 nan 0.000 0.474 243 R N 2.994 123.221 120.500 -0.456 0.000 2.210 243 R HA -0.002 4.348 4.340 0.018 0.000 0.203 243 R C 0.669 176.363 176.300 -1.009 0.000 1.010 243 R CA 0.915 56.324 56.100 -1.152 0.000 1.008 243 R CB 0.204 29.509 30.300 -1.657 0.000 0.923 243 R HN 0.623 nan 8.270 nan 0.000 0.469 244 Y N -0.592 119.518 120.300 -0.316 0.000 2.509 244 Y HA 0.252 4.812 4.550 0.017 0.000 0.270 244 Y C 1.095 176.959 175.900 -0.061 0.000 1.103 244 Y CA 0.029 58.020 58.100 -0.183 0.000 1.278 244 Y CB 0.515 38.892 38.460 -0.139 0.000 1.087 244 Y HN -0.094 nan 8.280 nan 0.000 0.542 245 M N 0.634 120.280 119.600 0.078 0.000 2.456 245 M HA 0.337 4.827 4.480 0.018 0.000 0.324 245 M C -1.453 174.912 176.300 0.108 0.000 1.124 245 M CA -1.349 54.014 55.300 0.106 0.000 0.959 245 M CB 1.566 34.228 32.600 0.104 0.000 1.692 245 M HN 0.016 nan 8.290 nan 0.000 0.444 246 L N 4.618 125.930 121.223 0.149 0.000 2.462 246 L HA 0.122 4.472 4.340 0.018 0.000 0.272 246 L C -0.938 176.032 176.870 0.167 0.000 1.166 246 L CA 1.127 56.057 54.840 0.150 0.000 0.880 246 L CB 0.417 42.576 42.059 0.166 0.000 1.142 246 L HN 0.637 nan 8.230 nan 0.000 0.473 247 Q N 6.146 126.016 119.800 0.118 0.000 2.327 247 Q HA 0.498 4.849 4.340 0.018 0.000 0.270 247 Q C -1.348 174.691 176.000 0.066 0.000 1.022 247 Q CA -0.487 55.381 55.803 0.109 0.000 0.773 247 Q CB 1.984 30.769 28.738 0.078 0.000 1.251 247 Q HN 0.584 nan 8.270 nan 0.000 0.457 248 L N 2.641 123.911 121.223 0.078 0.000 2.265 248 L HA 0.426 4.776 4.340 0.018 0.000 0.289 248 L C -0.017 176.834 176.870 -0.032 0.000 1.033 248 L CA -0.733 54.108 54.840 0.002 0.000 0.814 248 L CB 1.085 43.142 42.059 -0.004 0.000 1.203 248 L HN 0.420 nan 8.230 nan 0.000 0.423 249 K N 2.969 123.326 120.400 -0.072 0.000 2.412 249 K HA 0.264 4.595 4.320 0.018 0.000 0.284 249 K C -0.772 175.693 176.600 -0.226 0.000 1.046 249 K CA -0.150 56.050 56.287 -0.145 0.000 0.999 249 K CB 0.948 33.370 32.500 -0.131 0.000 0.941 249 K HN 0.375 nan 8.250 nan 0.000 0.474 250 V N 6.251 125.965 119.914 -0.333 0.000 2.581 250 V HA 0.330 4.460 4.120 0.018 0.000 0.303 250 V C -1.147 174.556 176.094 -0.651 0.000 1.041 250 V CA -0.606 61.436 62.300 -0.429 0.000 0.907 250 V CB 1.460 32.998 31.823 -0.475 0.000 0.994 250 V HN 0.871 nan 8.190 nan 0.000 0.442 251 H N 6.176 125.054 119.070 -0.321 0.000 2.511 251 H HA 0.372 4.938 4.556 0.017 0.000 0.328 251 H C -0.796 174.367 175.328 -0.276 0.000 1.044 251 H CA -0.158 55.746 56.048 -0.239 0.000 1.212 251 H CB 1.247 30.953 29.762 -0.093 0.000 1.428 251 H HN 0.563 nan 8.280 nan 0.000 0.483 252 F N 1.954 121.970 119.950 0.109 0.000 2.418 252 F HA 0.068 4.606 4.527 0.018 0.000 0.341 252 F C 1.244 177.086 175.800 0.071 0.000 1.120 252 F CA -0.794 57.250 58.000 0.073 0.000 1.232 252 F CB 0.854 39.885 39.000 0.050 0.000 1.175 252 F HN 0.270 nan 8.300 nan 0.000 0.569 253 V N -0.278 119.797 119.914 0.268 0.000 3.051 253 V HA 0.096 4.227 4.120 0.018 0.000 0.306 253 V C 0.688 176.868 176.094 0.144 0.000 1.083 253 V CA -0.748 61.649 62.300 0.160 0.000 1.104 253 V CB 0.900 32.792 31.823 0.116 0.000 1.027 253 V HN 0.735 nan 8.190 nan 0.000 0.483 254 D N 1.967 122.424 120.400 0.095 0.000 2.190 254 D HA -0.147 4.503 4.640 0.018 0.000 0.200 254 D C 1.777 178.107 176.300 0.051 0.000 0.992 254 D CA 2.028 56.069 54.000 0.068 0.000 0.854 254 D CB 0.018 40.847 40.800 0.049 0.000 0.936 254 D HN 0.886 nan 8.370 nan 0.000 0.462 255 E N 0.233 120.466 120.200 0.055 0.000 2.481 255 E HA 0.180 4.541 4.350 0.018 0.000 0.195 255 E C 0.406 177.028 176.600 0.037 0.000 1.047 255 E CA 0.018 56.443 56.400 0.042 0.000 0.867 255 E CB -0.031 29.697 29.700 0.046 0.000 0.858 255 E HN 0.168 nan 8.360 nan 0.000 0.513 256 A N 1.634 124.480 122.820 0.043 0.000 2.524 256 A HA 0.231 4.561 4.320 0.018 0.000 0.250 256 A C 0.764 178.311 177.584 -0.062 0.000 1.078 256 A CA 0.036 52.078 52.037 0.008 0.000 0.761 256 A CB -0.302 18.697 19.000 -0.002 0.000 1.012 256 A HN 0.219 nan 8.150 nan 0.000 0.500 257 T N 0.413 114.937 114.554 -0.049 0.000 2.849 257 T HA 0.303 4.663 4.350 0.018 0.000 0.284 257 T C 0.838 175.462 174.700 -0.127 0.000 1.004 257 T CA -0.339 61.716 62.100 -0.075 0.000 1.021 257 T CB 0.752 69.578 68.868 -0.069 0.000 1.013 257 T HN 0.581 nan 8.240 nan 0.000 0.527 258 E N 0.212 120.345 120.200 -0.112 0.000 2.118 258 E HA -0.107 4.253 4.350 0.018 0.000 0.195 258 E C 2.076 178.609 176.600 -0.111 0.000 0.992 258 E CA 0.855 57.186 56.400 -0.115 0.000 0.804 258 E CB -0.723 28.935 29.700 -0.069 0.000 0.741 258 E HN 0.527 nan 8.360 nan 0.000 0.458 259 V N 1.000 120.849 119.914 -0.109 0.000 2.453 259 V HA -0.215 3.916 4.120 0.018 0.000 0.247 259 V C 1.843 177.869 176.094 -0.113 0.000 1.048 259 V CA 1.805 64.034 62.300 -0.117 0.000 1.049 259 V CB -0.114 31.591 31.823 -0.196 0.000 0.672 259 V HN 0.199 nan 8.190 nan 0.000 0.457 260 E N -0.300 119.876 120.200 -0.041 0.000 2.077 260 E HA -0.217 4.144 4.350 0.018 0.000 0.193 260 E C 2.279 178.838 176.600 -0.068 0.000 0.989 260 E CA 1.416 57.842 56.400 0.044 0.000 0.800 260 E CB -0.114 29.652 29.700 0.110 0.000 0.746 260 E HN 0.576 nan 8.360 nan 0.000 0.452 261 K N 0.446 120.712 120.400 -0.223 0.000 2.097 261 K HA -0.123 4.208 4.320 0.018 0.000 0.205 261 K C 2.257 178.796 176.600 -0.102 0.000 1.050 261 K CA 0.751 56.819 56.287 -0.365 0.000 0.938 261 K CB -0.085 32.030 32.500 -0.643 0.000 0.718 261 K HN -0.012 nan 8.250 nan 0.000 0.442 262 R N 0.955 121.400 120.500 -0.091 0.000 2.066 262 R HA -0.104 4.247 4.340 0.018 0.000 0.232 262 R C 2.271 178.555 176.300 -0.026 0.000 1.131 262 R CA 1.333 57.424 56.100 -0.015 0.000 0.955 262 R CB -0.230 30.091 30.300 0.035 0.000 0.851 262 R HN 0.170 nan 8.270 nan 0.000 0.432 263 A N -0.023 122.634 122.820 -0.272 0.000 1.940 263 A HA -0.169 4.162 4.320 0.018 0.000 0.219 263 A C 2.133 179.729 177.584 0.021 0.000 1.176 263 A CA 2.163 53.941 52.037 -0.431 0.000 0.631 263 A CB -0.821 17.735 19.000 -0.741 0.000 0.814 263 A HN 0.462 nan 8.150 nan 0.000 0.446 264 T N -0.132 114.487 114.554 0.109 0.000 2.770 264 T HA 0.035 4.396 4.350 0.018 0.000 0.263 264 T C 1.748 176.645 174.700 0.329 0.000 1.039 264 T CA 1.458 63.725 62.100 0.279 0.000 1.142 264 T CB -0.229 68.867 68.868 0.380 0.000 0.868 264 T HN 0.362 nan 8.240 nan 0.000 0.435 265 L N 0.091 121.446 121.223 0.220 0.000 2.354 265 L HA 0.230 4.581 4.340 0.018 0.000 0.212 265 L C 2.551 179.466 176.870 0.076 0.000 1.091 265 L CA 0.675 55.615 54.840 0.168 0.000 0.828 265 L CB -0.211 41.954 42.059 0.176 0.000 0.973 265 L HN 0.186 nan 8.230 nan 0.000 0.461 266 Q N -0.025 119.805 119.800 0.050 0.000 2.392 266 Q HA 0.026 4.377 4.340 0.018 0.000 0.203 266 Q C -0.163 175.809 176.000 -0.047 0.000 0.917 266 Q CA 0.245 56.058 55.803 0.017 0.000 0.939 266 Q CB 0.750 29.518 28.738 0.049 0.000 1.063 266 Q HN 0.266 nan 8.270 nan 0.000 0.516 267 E N 0.920 121.032 120.200 -0.147 0.000 2.191 267 E HA 0.127 4.488 4.350 0.018 0.000 0.278 267 E C -0.997 175.289 176.600 -0.524 0.000 0.972 267 E CA -0.732 55.462 56.400 -0.343 0.000 0.804 267 E CB 1.602 31.004 29.700 -0.498 0.000 1.110 267 E HN 0.069 nan 8.360 nan 0.000 0.394 268 L N 5.291 126.298 121.223 -0.360 0.000 2.342 268 L HA 0.102 4.453 4.340 0.018 0.000 0.285 268 L C -0.247 176.366 176.870 -0.428 0.000 1.095 268 L CA -0.055 54.590 54.840 -0.325 0.000 0.843 268 L CB -0.434 41.532 42.059 -0.154 0.000 1.201 268 L HN 0.327 nan 8.230 nan 0.000 0.445 269 H N 4.088 122.910 119.070 -0.415 0.000 2.562 269 H HA 0.435 5.002 4.556 0.017 0.000 0.352 269 H C -0.657 174.419 175.328 -0.420 0.000 1.125 269 H CA -0.438 55.279 56.048 -0.552 0.000 1.379 269 H CB 1.525 30.617 29.762 -1.118 0.000 1.464 269 H HN 0.374 nan 8.280 nan 0.000 0.563 270 V N 3.400 123.321 119.914 0.012 0.000 2.531 270 V HA 0.182 4.313 4.120 0.018 0.000 0.301 270 V C 0.419 176.673 176.094 0.266 0.000 1.034 270 V CA -0.933 61.476 62.300 0.182 0.000 0.865 270 V CB 2.136 34.090 31.823 0.218 0.000 0.995 270 V HN 0.655 nan 8.190 nan 0.000 0.424 271 R N 3.842 124.544 120.500 0.336 0.000 2.351 271 R HA 0.232 4.583 4.340 0.018 0.000 0.318 271 R C 0.417 176.707 176.300 -0.016 0.000 1.055 271 R CA -0.365 55.843 56.100 0.179 0.000 0.968 271 R CB 0.286 30.658 30.300 0.119 0.000 0.974 271 R HN 0.684 nan 8.270 nan 0.000 0.439 272 R N 2.830 123.276 120.500 -0.089 0.000 2.538 272 R HA -0.054 4.296 4.340 0.018 0.000 0.282 272 R C 1.161 176.976 176.300 -0.808 0.000 1.009 272 R CA 0.735 56.618 56.100 -0.362 0.000 1.063 272 R CB 0.520 30.730 30.300 -0.150 0.000 0.945 272 R HN 0.945 nan 8.270 nan 0.000 0.414 273 G N 3.205 110.808 108.800 -1.995 0.000 2.475 273 G HA2 -0.261 3.710 3.960 0.018 0.000 0.220 273 G HA3 -0.261 3.710 3.960 0.018 0.000 0.220 273 G C 0.127 174.586 174.900 -0.734 0.000 1.125 273 G CA 0.769 44.723 45.100 -1.910 0.000 0.755 273 G HN 0.830 nan 8.290 nan 0.000 0.565 274 D N 1.356 121.476 120.400 -0.466 0.000 2.470 274 D HA 0.188 4.838 4.640 0.018 0.000 0.226 274 D C 0.977 177.171 176.300 -0.177 0.000 1.196 274 D CA -0.724 53.151 54.000 -0.209 0.000 0.979 274 D CB -0.386 40.357 40.800 -0.096 0.000 1.059 274 D HN 0.518 nan 8.370 nan 0.000 0.515 275 I N -1.233 119.236 120.570 -0.170 0.000 3.004 275 I HA 0.429 4.610 4.170 0.018 0.000 0.287 275 I C 0.232 176.308 176.117 -0.069 0.000 1.144 275 I CA -0.633 60.589 61.300 -0.129 0.000 1.353 275 I CB 1.318 39.242 38.000 -0.127 0.000 1.417 275 I HN 0.164 nan 8.210 nan 0.000 0.602 276 T N 1.289 115.816 114.554 -0.045 0.000 2.887 276 T HA 0.277 4.638 4.350 0.018 0.000 0.288 276 T C 0.537 175.233 174.700 -0.005 0.000 1.021 276 T CA -0.506 61.600 62.100 0.011 0.000 1.000 276 T CB 1.630 70.528 68.868 0.051 0.000 1.034 276 T HN 0.902 nan 8.240 nan 0.000 0.467 277 E N 2.250 122.437 120.200 -0.023 0.000 2.482 277 E HA -0.050 4.311 4.350 0.018 0.000 0.196 277 E C 0.336 176.792 176.600 -0.241 0.000 1.047 277 E CA 0.635 56.938 56.400 -0.161 0.000 0.869 277 E CB -0.206 29.348 29.700 -0.244 0.000 0.836 277 E HN 0.803 nan 8.360 nan 0.000 0.520 278 Y N 1.451 121.719 120.300 -0.054 0.000 2.490 278 Y HA 0.191 4.753 4.550 0.020 0.000 0.285 278 Y C 1.345 177.213 175.900 -0.053 0.000 1.117 278 Y CA 0.305 58.376 58.100 -0.049 0.000 1.262 278 Y CB 0.488 38.924 38.460 -0.041 0.000 1.043 278 Y HN 0.160 nan 8.280 nan 0.000 0.553 279 M N -1.752 117.888 119.600 0.068 0.000 2.694 279 M HA 0.368 4.859 4.480 0.018 0.000 0.276 279 M C -2.171 174.116 176.300 -0.021 0.000 1.167 279 M CA -0.844 54.464 55.300 0.014 0.000 0.849 279 M CB 1.256 33.876 32.600 0.032 0.000 1.705 279 M HN -0.343 nan 8.290 nan 0.000 0.504 280 V N 3.129 123.018 119.914 -0.041 0.000 2.432 280 V HA 0.456 4.587 4.120 0.018 0.000 0.271 280 V C 0.187 176.291 176.094 0.017 0.000 1.046 280 V CA -0.317 61.963 62.300 -0.032 0.000 0.945 280 V CB 0.725 32.495 31.823 -0.089 0.000 0.992 280 V HN 0.745 nan 8.190 nan 0.000 0.471 281 R N 3.169 123.681 120.500 0.021 0.000 2.229 281 R HA 0.388 4.739 4.340 0.018 0.000 0.332 281 R C -0.018 176.328 176.300 0.077 0.000 0.989 281 R CA -0.198 55.918 56.100 0.026 0.000 0.842 281 R CB 1.415 31.708 30.300 -0.013 0.000 1.119 281 R HN 0.606 nan 8.270 nan 0.000 0.456 282 S N 1.888 117.646 115.700 0.096 0.000 2.835 282 S HA 0.044 4.525 4.470 0.018 0.000 0.286 282 S C 1.247 175.918 174.600 0.118 0.000 1.194 282 S CA -0.665 57.619 58.200 0.140 0.000 1.031 282 S CB 0.228 63.529 63.200 0.167 0.000 1.216 282 S HN 0.703 nan 8.310 nan 0.000 0.502 283 T N 0.998 115.617 114.554 0.108 0.000 3.014 283 T HA 0.104 4.464 4.350 0.018 0.000 0.263 283 T C 1.318 176.079 174.700 0.103 0.000 1.078 283 T CA 0.227 62.384 62.100 0.096 0.000 1.135 283 T CB -0.125 68.796 68.868 0.089 0.000 0.895 283 T HN 0.484 nan 8.240 nan 0.000 0.480 284 E N 1.206 121.474 120.200 0.114 0.000 2.268 284 E HA -0.013 4.347 4.350 0.018 0.000 0.195 284 E C 2.325 178.991 176.600 0.109 0.000 0.995 284 E CA 0.459 56.918 56.400 0.099 0.000 0.836 284 E CB -0.461 29.292 29.700 0.089 0.000 0.763 284 E HN 0.391 nan 8.360 nan 0.000 0.491 285 V N 2.019 122.019 119.914 0.143 0.000 2.407 285 V HA -0.307 3.824 4.120 0.018 0.000 0.248 285 V C 2.566 178.817 176.094 0.262 0.000 1.055 285 V CA 2.239 64.670 62.300 0.218 0.000 1.049 285 V CB -0.468 31.485 31.823 0.216 0.000 0.662 285 V HN 0.281 nan 8.190 nan 0.000 0.455 286 R N 1.006 121.602 120.500 0.160 0.000 2.105 286 R HA -0.165 4.186 4.340 0.018 0.000 0.239 286 R C 2.046 178.430 176.300 0.141 0.000 1.135 286 R CA 1.787 57.969 56.100 0.137 0.000 0.967 286 R CB -0.714 29.622 30.300 0.059 0.000 0.861 286 R HN 0.338 nan 8.270 nan 0.000 0.442 287 K N 0.680 121.139 120.400 0.099 0.000 2.103 287 K HA -0.117 4.214 4.320 0.018 0.000 0.207 287 K C 1.898 178.528 176.600 0.050 0.000 1.048 287 K CA 2.023 58.348 56.287 0.063 0.000 0.930 287 K CB -0.061 32.465 32.500 0.042 0.000 0.716 287 K HN 0.324 nan 8.250 nan 0.000 0.444 288 K N -0.768 119.643 120.400 0.017 0.000 2.296 288 K HA -0.070 4.261 4.320 0.018 0.000 0.200 288 K C 1.041 177.480 176.600 -0.269 0.000 1.048 288 K CA 0.927 57.108 56.287 -0.175 0.000 0.966 288 K CB 0.200 32.481 32.500 -0.364 0.000 0.754 288 K HN 0.185 nan 8.250 nan 0.000 0.466 289 Y N 0.623 121.024 120.300 0.168 0.000 2.481 289 Y HA 0.091 4.652 4.550 0.018 0.000 0.247 289 Y C 1.465 177.639 175.900 0.456 0.000 1.151 289 Y CA -0.363 57.910 58.100 0.289 0.000 1.238 289 Y CB 0.471 39.067 38.460 0.226 0.000 1.179 289 Y HN -0.032 nan 8.280 nan 0.000 0.524 290 K N -0.647 119.976 120.400 0.373 0.000 2.288 290 K HA -0.084 4.246 4.320 0.018 0.000 0.201 290 K C 0.455 177.210 176.600 0.258 0.000 1.048 290 K CA 1.655 58.104 56.287 0.270 0.000 0.956 290 K CB 0.019 32.600 32.500 0.135 0.000 0.746 290 K HN 0.084 nan 8.250 nan 0.000 0.461 291 D N -0.078 120.474 120.400 0.252 0.000 2.355 291 D HA 0.009 4.659 4.640 0.018 0.000 0.218 291 D C -0.185 176.099 176.300 -0.025 0.000 1.004 291 D CA 0.537 54.568 54.000 0.052 0.000 0.880 291 D CB 0.071 40.804 40.800 -0.110 0.000 0.911 291 D HN 0.171 nan 8.370 nan 0.000 0.528 292 Y N 0.605 121.010 120.300 0.175 0.000 2.432 292 Y HA 0.262 4.823 4.550 0.018 0.000 0.322 292 Y C 0.608 176.501 175.900 -0.012 0.000 1.246 292 Y CA -1.017 57.122 58.100 0.066 0.000 1.268 292 Y CB 0.727 39.228 38.460 0.069 0.000 1.276 292 Y HN -0.329 nan 8.280 nan 0.000 0.499 293 D N 0.921 121.277 120.400 -0.074 0.000 2.313 293 D HA 0.244 4.895 4.640 0.018 0.000 0.239 293 D C -1.551 174.536 176.300 -0.354 0.000 1.142 293 D CA 0.001 53.940 54.000 -0.100 0.000 0.847 293 D CB -0.077 40.679 40.800 -0.073 0.000 1.082 293 D HN 0.274 nan 8.370 nan 0.000 0.480 294 F N 4.861 124.877 119.950 0.111 0.000 2.550 294 F HA 0.327 4.865 4.527 0.019 0.000 0.348 294 F C -2.054 173.789 175.800 0.072 0.000 1.219 294 F CA -1.982 56.073 58.000 0.092 0.000 1.203 294 F CB 1.485 40.549 39.000 0.107 0.000 1.436 294 F HN 0.119 nan 8.300 nan 0.000 0.541 295 P HA 0.017 nan 4.420 nan 0.000 0.268 295 P C -0.093 177.273 177.300 0.111 0.000 1.205 295 P CA -0.046 63.116 63.100 0.104 0.000 0.771 295 P CB 0.827 32.560 31.700 0.055 0.000 0.858 296 V N 4.479 124.444 119.914 0.085 0.000 2.599 296 V HA 0.035 4.166 4.120 0.018 0.000 0.300 296 V C 1.232 177.355 176.094 0.049 0.000 1.034 296 V CA 0.772 63.110 62.300 0.062 0.000 1.115 296 V CB -0.552 31.295 31.823 0.039 0.000 0.934 296 V HN 0.664 nan 8.190 nan 0.000 0.485 297 R N 3.736 124.263 120.500 0.045 0.000 3.416 297 R HA 0.639 4.990 4.340 0.018 0.000 0.236 297 R C -0.991 175.323 176.300 0.023 0.000 1.576 297 R CA -1.067 55.053 56.100 0.034 0.000 1.011 297 R CB 0.747 31.071 30.300 0.040 0.000 1.670 297 R HN 0.372 nan 8.270 nan 0.000 0.519 298 E N 1.718 121.931 120.200 0.022 0.000 2.129 298 E HA 0.211 4.572 4.350 0.018 0.000 0.283 298 E C -0.716 175.891 176.600 0.013 0.000 1.080 298 E CA 0.001 56.410 56.400 0.014 0.000 0.867 298 E CB 1.307 31.015 29.700 0.013 0.000 1.056 298 E HN 0.318 nan 8.360 nan 0.000 0.404 299 S N 1.545 117.246 115.700 0.002 0.000 2.562 299 S HA 0.388 4.869 4.470 0.018 0.000 0.275 299 S C 0.280 174.878 174.600 -0.004 0.000 1.281 299 S CA -0.754 57.444 58.200 -0.004 0.000 1.045 299 S CB 0.988 64.174 63.200 -0.023 0.000 0.962 299 S HN 0.387 nan 8.310 nan 0.000 0.503 300 V N 1.565 121.479 119.914 -0.001 0.000 3.046 300 V HA 0.673 4.804 4.120 0.018 0.000 0.316 300 V C -0.198 175.894 176.094 -0.003 0.000 1.104 300 V CA -1.467 60.833 62.300 -0.000 0.000 1.006 300 V CB 1.196 33.023 31.823 0.006 0.000 1.058 300 V HN 0.675 nan 8.190 nan 0.000 0.440 301 L N 2.433 123.654 121.223 -0.003 0.000 2.653 301 L HA 0.089 4.440 4.340 0.018 0.000 0.288 301 L C 0.523 177.395 176.870 0.003 0.000 1.243 301 L CA 1.174 56.013 54.840 -0.002 0.000 0.906 301 L CB -0.186 41.873 42.059 -0.000 0.000 1.154 301 L HN 0.871 nan 8.230 nan 0.000 0.498 302 Q N 5.371 125.174 119.800 0.005 0.000 2.288 302 Q HA 0.373 4.723 4.340 0.018 0.000 0.258 302 Q C -0.792 175.219 176.000 0.018 0.000 0.957 302 Q CA -0.096 55.714 55.803 0.012 0.000 0.919 302 Q CB 0.976 29.724 28.738 0.016 0.000 1.185 302 Q HN 0.611 nan 8.270 nan 0.000 0.408 303 E N 1.629 121.837 120.200 0.013 0.000 2.317 303 E HA 0.279 4.639 4.350 0.018 0.000 0.270 303 E C -1.048 175.552 176.600 -0.000 0.000 0.885 303 E CA -1.075 55.330 56.400 0.008 0.000 0.760 303 E CB 2.245 31.946 29.700 0.003 0.000 1.227 303 E HN 0.377 nan 8.360 nan 0.000 0.434 304 R N 0.518 121.013 120.500 -0.008 0.000 2.481 304 R HA -0.020 4.331 4.340 0.018 0.000 0.291 304 R C 0.774 177.058 176.300 -0.027 0.000 0.934 304 R CA 1.925 58.011 56.100 -0.024 0.000 1.116 304 R CB -0.327 29.954 30.300 -0.032 0.000 0.895 304 R HN 0.877 nan 8.270 nan 0.000 0.410 305 G N 2.562 111.339 108.800 -0.039 0.000 2.213 305 G HA2 -0.269 3.702 3.960 0.018 0.000 0.226 305 G HA3 -0.269 3.702 3.960 0.018 0.000 0.226 305 G C -0.108 174.772 174.900 -0.034 0.000 0.992 305 G CA -0.041 45.032 45.100 -0.043 0.000 0.632 305 G HN 0.619 nan 8.290 nan 0.000 0.511 306 Q N 0.386 120.174 119.800 -0.020 0.000 2.332 306 Q HA 0.490 4.840 4.340 0.018 0.000 0.263 306 Q C 0.111 176.104 176.000 -0.012 0.000 0.979 306 Q CA -0.179 55.619 55.803 -0.008 0.000 0.885 306 Q CB 1.932 30.673 28.738 0.005 0.000 1.218 306 Q HN 0.192 nan 8.270 nan 0.000 0.405 307 V N 4.305 124.215 119.914 -0.007 0.000 2.406 307 V HA 0.320 4.451 4.120 0.018 0.000 0.272 307 V C 0.053 176.165 176.094 0.031 0.000 1.043 307 V CA -0.431 61.869 62.300 0.001 0.000 0.915 307 V CB 0.847 32.667 31.823 -0.006 0.000 0.988 307 V HN 0.579 nan 8.190 nan 0.000 0.466 308 V N 3.915 123.844 119.914 0.025 0.000 3.001 308 V HA 0.763 4.894 4.120 0.018 0.000 0.314 308 V C -0.757 175.351 176.094 0.024 0.000 1.099 308 V CA -0.820 61.502 62.300 0.037 0.000 0.989 308 V CB 2.401 34.248 31.823 0.040 0.000 1.040 308 V HN 0.634 nan 8.190 nan 0.000 0.434 309 I N 1.803 122.385 120.570 0.020 0.000 2.569 309 I HA 0.565 4.746 4.170 0.018 0.000 0.290 309 I C 0.783 176.887 176.117 -0.022 0.000 1.088 309 I CA -0.656 60.613 61.300 -0.051 0.000 1.047 309 I CB 2.027 39.941 38.000 -0.142 0.000 1.237 309 I HN 0.989 nan 8.210 nan 0.000 0.421 310 G N 5.403 114.218 108.800 0.025 0.000 2.272 310 G HA2 0.031 4.002 3.960 0.018 0.000 0.247 310 G HA3 0.031 4.002 3.960 0.018 0.000 0.247 310 G C -0.040 174.872 174.900 0.020 0.000 1.272 310 G CA -0.287 44.947 45.100 0.223 0.000 0.921 310 G HN 0.878 nan 8.290 nan 0.000 0.495 311 N N 1.431 120.218 118.700 0.146 0.000 2.566 311 N HA 0.114 4.865 4.740 0.018 0.000 0.299 311 N C 0.636 176.274 175.510 0.213 0.000 1.277 311 N CA -0.980 52.170 53.050 0.167 0.000 0.965 311 N CB 0.748 39.333 38.487 0.163 0.000 1.142 311 N HN 0.231 nan 8.380 nan 0.000 0.596 312 N N -0.132 118.710 118.700 0.237 0.000 2.334 312 N HA -0.162 4.589 4.740 0.018 0.000 0.187 312 N C 1.284 176.886 175.510 0.153 0.000 1.016 312 N CA 1.477 54.645 53.050 0.197 0.000 0.879 312 N CB -0.410 38.174 38.487 0.162 0.000 0.965 312 N HN 0.670 nan 8.380 nan 0.000 0.438 313 S N -1.421 114.359 115.700 0.134 0.000 2.577 313 S HA 0.141 4.622 4.470 0.018 0.000 0.219 313 S C 0.789 175.489 174.600 0.167 0.000 0.962 313 S CA -0.469 57.793 58.200 0.103 0.000 0.921 313 S CB -0.244 62.979 63.200 0.038 0.000 0.789 313 S HN 0.075 nan 8.310 nan 0.000 0.497 314 F N 3.029 123.019 119.950 0.068 0.000 2.645 314 F HA 0.427 4.965 4.527 0.018 0.000 0.300 314 F C 1.724 177.576 175.800 0.087 0.000 1.115 314 F CA -1.082 56.975 58.000 0.095 0.000 1.355 314 F CB -0.361 38.703 39.000 0.106 0.000 1.026 314 F HN 0.385 nan 8.300 nan 0.000 0.536 315 G N 1.681 110.618 108.800 0.229 0.000 2.702 315 G HA2 -0.550 3.421 3.960 0.018 0.000 0.342 315 G HA3 -0.550 3.421 3.960 0.018 0.000 0.342 315 G C 1.505 176.363 174.900 -0.070 0.000 1.258 315 G CA 1.053 46.197 45.100 0.074 0.000 0.990 315 G HN 0.330 nan 8.290 nan 0.000 0.548 316 K N -0.054 120.192 120.400 -0.256 0.000 2.228 316 K HA -0.081 4.249 4.320 0.018 0.000 0.205 316 K C 2.109 178.271 176.600 -0.730 0.000 1.045 316 K CA 2.474 58.429 56.287 -0.553 0.000 0.931 316 K CB -0.368 31.625 32.500 -0.846 0.000 0.727 316 K HN 0.670 nan 8.250 nan 0.000 0.458 317 Y N -0.039 120.116 120.300 -0.241 0.000 2.467 317 Y HA 0.208 4.769 4.550 0.018 0.000 0.250 317 Y C 0.110 175.855 175.900 -0.258 0.000 1.155 317 Y CA -0.647 57.190 58.100 -0.438 0.000 1.249 317 Y CB 0.283 38.064 38.460 -1.132 0.000 1.146 317 Y HN -0.151 nan 8.280 nan 0.000 0.524 318 K N 1.112 121.513 120.400 0.002 0.000 2.491 318 K HA 0.147 4.478 4.320 0.018 0.000 0.279 318 K C 1.190 177.740 176.600 -0.084 0.000 1.026 318 K CA 1.287 57.590 56.287 0.027 0.000 1.070 318 K CB -0.056 32.505 32.500 0.102 0.000 0.887 318 K HN 0.540 nan 8.250 nan 0.000 0.481 319 G N 2.820 111.427 108.800 -0.322 0.000 2.176 319 G HA2 -0.313 3.658 3.960 0.018 0.000 0.253 319 G HA3 -0.313 3.658 3.960 0.018 0.000 0.253 319 G C -0.092 174.704 174.900 -0.173 0.000 0.979 319 G CA 0.407 45.267 45.100 -0.401 0.000 0.641 319 G HN 0.738 nan 8.290 nan 0.000 0.530 320 E N 0.415 120.554 120.200 -0.102 0.000 2.217 320 E HA 0.479 4.839 4.350 0.018 0.000 0.279 320 E C 0.377 176.948 176.600 -0.050 0.000 1.068 320 E CA -0.680 55.699 56.400 -0.034 0.000 0.882 320 E CB 0.356 30.050 29.700 -0.010 0.000 1.039 320 E HN 0.443 nan 8.360 nan 0.000 0.418 321 L N 4.547 125.753 121.223 -0.028 0.000 2.312 321 L HA 0.290 4.641 4.340 0.018 0.000 0.281 321 L C -0.843 176.019 176.870 -0.014 0.000 1.070 321 L CA -0.107 54.712 54.840 -0.035 0.000 0.805 321 L CB 0.760 42.792 42.059 -0.044 0.000 1.174 321 L HN 0.656 nan 8.230 nan 0.000 0.434 322 Q N 5.323 125.117 119.800 -0.011 0.000 2.389 322 Q HA 0.554 4.904 4.340 0.018 0.000 0.277 322 Q C -1.432 174.563 176.000 -0.007 0.000 1.082 322 Q CA -0.639 55.165 55.803 0.001 0.000 0.810 322 Q CB 3.049 31.794 28.738 0.011 0.000 1.374 322 Q HN 0.583 nan 8.270 nan 0.000 0.422 323 I N 2.500 123.060 120.570 -0.017 0.000 2.378 323 I HA 0.325 4.505 4.170 0.018 0.000 0.291 323 I C -0.439 175.655 176.117 -0.039 0.000 0.992 323 I CA -1.056 60.219 61.300 -0.042 0.000 1.154 323 I CB 1.141 39.088 38.000 -0.090 0.000 1.315 323 I HN 0.417 nan 8.210 nan 0.000 0.448 324 I N 6.743 127.298 120.570 -0.025 0.000 2.529 324 I HA 0.095 4.276 4.170 0.018 0.000 0.284 324 I C 0.914 177.012 176.117 -0.032 0.000 1.082 324 I CA 0.199 61.495 61.300 -0.008 0.000 1.406 324 I CB 0.967 38.973 38.000 0.009 0.000 1.405 324 I HN 0.654 nan 8.210 nan 0.000 0.548 325 L N 4.779 125.983 121.223 -0.030 0.000 2.500 325 L HA 0.208 4.559 4.340 0.018 0.000 0.219 325 L C 0.639 177.466 176.870 -0.072 0.000 1.057 325 L CA 0.440 55.238 54.840 -0.069 0.000 0.854 325 L CB 0.078 42.078 42.059 -0.099 0.000 1.078 325 L HN 0.539 nan 8.230 nan 0.000 0.480 326 K N 0.363 120.740 120.400 -0.038 0.000 2.477 326 K HA 0.262 4.592 4.320 0.018 0.000 0.255 326 K C -0.896 175.753 176.600 0.081 0.000 0.952 326 K CA -0.704 55.562 56.287 -0.035 0.000 0.826 326 K CB 2.730 35.107 32.500 -0.204 0.000 1.331 326 K HN -0.140 nan 8.250 nan 0.000 0.437 327 E N 2.714 122.953 120.200 0.065 0.000 2.414 327 E HA 0.057 4.418 4.350 0.018 0.000 0.263 327 E C -0.934 175.741 176.600 0.124 0.000 1.000 327 E CA 0.522 56.966 56.400 0.073 0.000 0.914 327 E CB 0.555 30.280 29.700 0.042 0.000 0.948 327 E HN 0.328 nan 8.360 nan 0.000 0.444 328 M N 4.413 124.056 119.600 0.072 0.000 2.550 328 M HA 0.371 4.862 4.480 0.018 0.000 0.292 328 M C -2.414 173.886 176.300 -0.001 0.000 1.221 328 M CA -2.274 53.043 55.300 0.028 0.000 0.873 328 M CB 2.328 34.924 32.600 -0.007 0.000 1.727 328 M HN 0.335 nan 8.290 nan 0.000 0.459 329 P HA 0.126 nan 4.420 nan 0.000 0.268 329 P C -0.594 176.687 177.300 -0.032 0.000 1.208 329 P CA -0.100 62.986 63.100 -0.024 0.000 0.777 329 P CB 0.297 31.977 31.700 -0.034 0.000 0.875 330 I N 1.800 122.352 120.570 -0.029 0.000 2.989 330 I HA -0.156 4.024 4.170 0.018 0.000 0.311 330 I C 0.867 176.948 176.117 -0.060 0.000 1.221 330 I CA 1.371 62.649 61.300 -0.036 0.000 1.449 330 I CB -0.080 37.902 38.000 -0.030 0.000 1.325 330 I HN 0.311 nan 8.210 nan 0.000 0.557 331 D N 5.895 126.248 120.400 -0.078 0.000 2.542 331 D HA 0.205 4.856 4.640 0.018 0.000 0.252 331 D C 0.379 176.588 176.300 -0.152 0.000 1.222 331 D CA -0.498 53.421 54.000 -0.134 0.000 0.895 331 D CB 1.323 42.023 40.800 -0.166 0.000 1.207 331 D HN 0.369 nan 8.370 nan 0.000 0.558 332 E N 1.631 121.744 120.200 -0.146 0.000 2.409 332 E HA -0.025 4.336 4.350 0.018 0.000 0.198 332 E C 1.247 177.753 176.600 -0.157 0.000 1.024 332 E CA 0.693 57.025 56.400 -0.115 0.000 0.861 332 E CB 0.113 29.763 29.700 -0.083 0.000 0.788 332 E HN 0.383 nan 8.360 nan 0.000 0.521 333 R N 0.350 120.663 120.500 -0.313 0.000 2.310 333 R HA 0.157 4.508 4.340 0.018 0.000 0.202 333 R C 0.017 176.121 176.300 -0.326 0.000 0.933 333 R CA 0.324 56.144 56.100 -0.466 0.000 1.054 333 R CB 0.270 29.916 30.300 -1.090 0.000 0.985 333 R HN -0.025 nan 8.270 nan 0.000 0.489 334 K N 0.794 121.087 120.400 -0.178 0.000 2.316 334 K HA 0.286 4.617 4.320 0.018 0.000 0.251 334 K C -0.885 175.722 176.600 0.013 0.000 0.934 334 K CA -0.595 55.684 56.287 -0.014 0.000 0.802 334 K CB 2.237 34.743 32.500 0.009 0.000 1.171 334 K HN 0.017 nan 8.250 nan 0.000 0.426 335 N N 1.985 120.717 118.700 0.053 0.000 2.430 335 N HA 0.278 5.029 4.740 0.018 0.000 0.292 335 N C -0.758 174.791 175.510 0.065 0.000 1.051 335 N CA -0.588 52.503 53.050 0.068 0.000 0.917 335 N CB 1.558 40.113 38.487 0.113 0.000 1.164 335 N HN 0.428 nan 8.380 nan 0.000 0.484 336 I N 2.867 123.474 120.570 0.060 0.000 2.441 336 I HA 0.042 4.222 4.170 0.018 0.000 0.287 336 I C 0.398 176.573 176.117 0.097 0.000 1.049 336 I CA -0.136 61.203 61.300 0.065 0.000 1.381 336 I CB 0.828 38.858 38.000 0.050 0.000 1.409 336 I HN 0.371 nan 8.210 nan 0.000 0.523 337 V N 6.626 126.612 119.914 0.119 0.000 3.048 337 V HA 0.462 4.593 4.120 0.018 0.000 0.241 337 V C 0.859 177.116 176.094 0.272 0.000 1.129 337 V CA 0.834 63.254 62.300 0.200 0.000 1.128 337 V CB 0.293 32.244 31.823 0.214 0.000 0.849 337 V HN 0.963 nan 8.190 nan 0.000 0.475 338 G N -0.256 108.628 108.800 0.140 0.000 2.490 338 G HA2 0.530 4.501 3.960 0.018 0.000 0.308 338 G HA3 0.530 4.501 3.960 0.018 0.000 0.308 338 G C -1.060 173.836 174.900 -0.006 0.000 1.286 338 G CA 0.331 45.459 45.100 0.048 0.000 0.825 338 G HN 0.211 nan 8.290 nan 0.000 0.479 339 T N -1.397 113.137 114.554 -0.034 0.000 2.912 339 T HA 0.610 4.971 4.350 0.018 0.000 0.299 339 T C -0.395 174.292 174.700 -0.022 0.000 1.052 339 T CA -0.734 61.357 62.100 -0.015 0.000 0.996 339 T CB 1.718 70.593 68.868 0.013 0.000 1.070 339 T HN 0.540 nan 8.240 nan 0.000 0.465 340 I N 2.276 122.824 120.570 -0.037 0.000 2.648 340 I HA 0.341 4.521 4.170 0.018 0.000 0.284 340 I C 1.447 177.582 176.117 0.030 0.000 1.153 340 I CA -0.582 60.694 61.300 -0.041 0.000 1.426 340 I CB -0.189 37.767 38.000 -0.072 0.000 1.381 340 I HN 1.055 nan 8.210 nan 0.000 0.571 341 A N 5.698 128.562 122.820 0.073 0.000 2.587 341 A HA -0.066 4.265 4.320 0.018 0.000 0.235 341 A C 1.504 179.122 177.584 0.056 0.000 1.044 341 A CA 0.059 52.181 52.037 0.142 0.000 0.754 341 A CB -0.233 18.857 19.000 0.151 0.000 0.968 341 A HN 0.894 nan 8.150 nan 0.000 0.509 342 E N 1.243 121.470 120.200 0.044 0.000 2.118 342 E HA -0.195 4.166 4.350 0.018 0.000 0.195 342 E C 1.119 177.752 176.600 0.055 0.000 0.992 342 E CA 1.611 58.027 56.400 0.028 0.000 0.804 342 E CB 0.011 29.716 29.700 0.008 0.000 0.741 342 E HN 0.852 nan 8.360 nan 0.000 0.458 343 E N -0.165 120.076 120.200 0.069 0.000 2.516 343 E HA -0.102 4.258 4.350 0.018 0.000 0.199 343 E C 0.791 177.505 176.600 0.189 0.000 1.069 343 E CA 0.431 56.902 56.400 0.118 0.000 0.876 343 E CB 0.176 29.929 29.700 0.087 0.000 0.843 343 E HN 0.376 nan 8.360 nan 0.000 0.530 344 E N 0.041 120.280 120.200 0.064 0.000 2.583 344 E HA 0.117 4.478 4.350 0.018 0.000 0.213 344 E C 1.653 178.110 176.600 -0.238 0.000 0.989 344 E CA -0.180 56.144 56.400 -0.127 0.000 0.991 344 E CB 0.460 30.083 29.700 -0.128 0.000 1.040 344 E HN 0.173 nan 8.360 nan 0.000 0.481 345 L N 0.703 121.891 121.223 -0.058 0.000 2.083 345 L HA -0.155 4.195 4.340 0.018 0.000 0.209 345 L C 2.439 179.248 176.870 -0.102 0.000 1.083 345 L CA 1.374 56.171 54.840 -0.072 0.000 0.752 345 L CB -0.644 41.411 42.059 -0.007 0.000 0.899 345 L HN 0.291 nan 8.230 nan 0.000 0.433 346 F N -0.620 119.281 119.950 -0.083 0.000 2.333 346 F HA -0.148 4.388 4.527 0.015 0.000 0.300 346 F C 2.001 177.771 175.800 -0.050 0.000 1.083 346 F CA 0.952 58.888 58.000 -0.106 0.000 1.395 346 F CB -0.886 38.025 39.000 -0.149 0.000 1.056 346 F HN -0.097 nan 8.300 nan 0.000 0.529 347 L N 0.485 121.154 121.223 -0.925 0.000 2.275 347 L HA -0.140 4.211 4.340 0.018 0.000 0.215 347 L C 2.411 179.186 176.870 -0.158 0.000 1.119 347 L CA 0.664 55.188 54.840 -0.527 0.000 0.790 347 L CB -0.596 41.096 42.059 -0.611 0.000 0.919 347 L HN 0.315 nan 8.230 nan 0.000 0.443 348 L N -0.378 120.712 121.223 -0.221 0.000 2.189 348 L HA -0.263 4.087 4.340 0.018 0.000 0.214 348 L C 1.861 178.617 176.870 -0.191 0.000 1.097 348 L CA 0.969 55.683 54.840 -0.211 0.000 0.764 348 L CB -0.645 41.295 42.059 -0.197 0.000 0.900 348 L HN 0.304 nan 8.230 nan 0.000 0.436 349 D N -0.905 119.368 120.400 -0.213 0.000 2.310 349 D HA -0.155 4.496 4.640 0.018 0.000 0.212 349 D C 1.706 177.743 176.300 -0.438 0.000 0.965 349 D CA 1.187 54.989 54.000 -0.330 0.000 0.879 349 D CB -0.060 40.489 40.800 -0.419 0.000 0.921 349 D HN 0.419 nan 8.370 nan 0.000 0.510 350 Y N -0.045 120.227 120.300 -0.048 0.000 2.511 350 Y HA 0.097 4.658 4.550 0.018 0.000 0.279 350 Y C 0.950 176.845 175.900 -0.009 0.000 1.157 350 Y CA -0.093 58.016 58.100 0.015 0.000 1.300 350 Y CB 0.374 38.871 38.460 0.062 0.000 1.052 350 Y HN -0.263 nan 8.280 nan 0.000 0.529 351 V N 1.601 121.506 119.914 -0.015 0.000 2.276 351 V HA 0.294 4.425 4.120 0.018 0.000 0.249 351 V C 0.927 176.997 176.094 -0.039 0.000 1.160 351 V CA -0.294 61.969 62.300 -0.061 0.000 1.042 351 V CB -0.570 31.064 31.823 -0.316 0.000 1.224 351 V HN 0.342 nan 8.190 nan 0.000 0.496 352 G N 2.834 111.652 108.800 0.029 0.000 2.531 352 G HA2 0.576 4.547 3.960 0.018 0.000 0.281 352 G HA3 0.576 4.547 3.960 0.018 0.000 0.281 352 G C 0.291 175.192 174.900 0.002 0.000 1.382 352 G CA -0.328 44.776 45.100 0.007 0.000 1.045 352 G HN 0.901 nan 8.290 nan 0.000 0.533 353 A N -1.645 121.146 122.820 -0.048 0.000 2.553 353 A HA 0.344 4.675 4.320 0.018 0.000 0.258 353 A C 0.300 177.882 177.584 -0.003 0.000 1.069 353 A CA 0.857 52.781 52.037 -0.189 0.000 0.767 353 A CB -1.230 17.642 19.000 -0.213 0.000 0.997 353 A HN 1.238 nan 8.150 nan 0.000 0.512 354 W N -0.099 121.252 121.300 0.084 0.000 2.046 354 W HA -0.214 4.455 4.660 0.015 0.000 0.263 354 W C 0.602 177.188 176.519 0.111 0.000 1.048 354 W CA 0.306 57.703 57.345 0.087 0.000 0.474 354 W CB -2.198 27.301 29.460 0.065 0.000 2.069 354 W HN 0.715 nan 8.180 nan 0.000 1.264 355 T N 2.258 116.998 114.554 0.311 0.000 2.888 355 T HA 0.210 4.571 4.350 0.018 0.000 0.301 355 T C 0.504 175.413 174.700 0.348 0.000 1.001 355 T CA 0.013 62.287 62.100 0.291 0.000 1.147 355 T CB 0.749 69.763 68.868 0.242 0.000 0.931 355 T HN -0.008 nan 8.240 nan 0.000 0.541 356 Q N 2.422 122.387 119.800 0.276 0.000 2.293 356 Q HA 0.598 4.949 4.340 0.018 0.000 0.251 356 Q C -0.468 175.723 176.000 0.318 0.000 0.930 356 Q CA -0.456 55.474 55.803 0.213 0.000 0.893 356 Q CB 0.859 29.666 28.738 0.115 0.000 1.215 356 Q HN 0.734 nan 8.270 nan 0.000 0.425 357 F N -2.253 117.773 119.950 0.127 0.000 2.686 357 F HA 0.703 5.241 4.527 0.019 0.000 0.311 357 F C -0.692 175.195 175.800 0.145 0.000 1.128 357 F CA -1.123 56.947 58.000 0.117 0.000 0.946 357 F CB 1.162 40.222 39.000 0.100 0.000 1.336 357 F HN 0.459 nan 8.300 nan 0.000 0.457 358 T N -1.396 113.265 114.554 0.178 0.000 2.940 358 T HA 0.713 5.073 4.350 0.018 0.000 0.288 358 T C -1.125 173.744 174.700 0.281 0.000 1.045 358 T CA -0.797 61.383 62.100 0.132 0.000 1.018 358 T CB 1.513 70.423 68.868 0.070 0.000 1.151 358 T HN 0.892 nan 8.240 nan 0.000 0.529 359 C N 2.148 121.587 119.300 0.231 0.000 2.379 359 C HA 0.852 5.323 4.460 0.018 0.000 0.323 359 C C 0.211 175.257 174.990 0.092 0.000 1.262 359 C CA -0.585 58.528 59.018 0.158 0.000 1.581 359 C CB 0.306 28.131 27.740 0.141 0.000 2.221 359 C HN 0.921 nan 8.230 nan 0.000 0.497 360 V N 1.032 120.964 119.914 0.030 0.000 2.914 360 V HA 0.666 4.797 4.120 0.018 0.000 0.314 360 V C -0.486 175.573 176.094 -0.058 0.000 1.084 360 V CA -0.660 61.648 62.300 0.014 0.000 0.963 360 V CB 1.480 33.317 31.823 0.023 0.000 1.025 360 V HN 0.861 nan 8.190 nan 0.000 0.432 361 E N 0.000 120.185 120.200 -0.025 0.000 2.725 361 E HA 0.000 4.361 4.350 0.018 0.000 0.291 361 E CA 0.000 56.356 56.400 -0.073 0.000 0.976 361 E CB 0.000 29.724 29.700 0.040 0.000 0.812 361 E HN 0.000 nan 8.360 nan 0.000 0.440