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 3kdn_1_I DATA FIRST_RESID 9 DATA SEQUENCE YDYYVDKGYE PSKKRDIIAV FRVTPAEGYT IEQAAGAVAA ESSTGTWTTL DATA SEQUENCE YPWYEQERWA DLSAKAYDFH DMGDGSWIVR IAYPFHAFEE ANLPGLLASI DATA SEQUENCE AGNIFGMKRV KGLRLEDLYF PEKLIREFDG PAFGIEGVRK MLEIKDRPIY DATA SEQUENCE GVVPKPKVGY SPEEFEKLAY DLLSNGADYM XDDENLTSPW YNRFEERAEI DATA SEQUENCE MAKIIDKVEN ETGEKKTWFA NITADLLEME QRLEVLADLG LKHAMVDVVI DATA SEQUENCE TGWGALRYIR DLAADYGLAI HGHRAMHAAF TRNPYHGISM FVLAKLYRLI DATA SEQUENCE GIDQLHVGTA GAGKLEGERD ITIQNARILR ESHYKPDEND VFHLEQKFYS DATA SEQUENCE IKAAFPTSSG GLHPGNIQPV IEALGTDIVL QLGGGTLGHP DGPAAGARAV DATA SEQUENCE RQAIDAIMQG IPLDEYAKTH KELARALEKW GHVTPV 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 9 Y HA 0.000 nan 4.550 nan 0.000 0.201 9 Y C 0.000 176.099 175.900 0.331 0.000 1.272 9 Y CA 0.000 58.266 58.100 0.276 0.000 1.940 9 Y CB 0.000 38.544 38.460 0.140 0.000 1.050 10 D N -0.147 120.485 120.400 0.386 0.000 2.310 10 D HA -0.193 4.448 4.640 0.001 0.000 0.212 10 D C 1.566 178.014 176.300 0.246 0.000 0.965 10 D CA 1.353 55.510 54.000 0.262 0.000 0.879 10 D CB -0.625 40.277 40.800 0.171 0.000 0.921 10 D HN 0.490 nan 8.370 nan 0.000 0.510 11 Y N -0.678 119.724 120.300 0.170 0.000 2.421 11 Y HA -0.015 4.536 4.550 0.001 0.000 0.292 11 Y C 1.144 176.956 175.900 -0.147 0.000 1.136 11 Y CA 1.129 59.223 58.100 -0.010 0.000 1.255 11 Y CB -0.026 38.397 38.460 -0.062 0.000 0.991 11 Y HN 0.336 nan 8.280 nan 0.000 0.552 12 Y N -0.696 119.673 120.300 0.114 0.000 2.461 12 Y HA 0.263 4.814 4.550 0.001 0.000 0.277 12 Y C -0.014 175.858 175.900 -0.047 0.000 1.182 12 Y CA -0.359 57.734 58.100 -0.013 0.000 1.276 12 Y CB 0.278 38.780 38.460 0.070 0.000 1.087 12 Y HN -0.227 nan 8.280 nan 0.000 0.519 13 V N 1.016 120.984 119.914 0.089 0.000 2.417 13 V HA 0.296 4.417 4.120 0.001 0.000 0.291 13 V C -0.817 175.296 176.094 0.033 0.000 1.024 13 V CA -0.645 61.721 62.300 0.110 0.000 0.861 13 V CB 1.741 33.645 31.823 0.136 0.000 0.985 13 V HN 0.055 nan 8.190 nan 0.000 0.436 14 D N 3.418 123.873 120.400 0.091 0.000 2.337 14 D HA 0.255 4.896 4.640 0.001 0.000 0.238 14 D C 0.591 177.015 176.300 0.207 0.000 1.331 14 D CA -0.465 53.583 54.000 0.080 0.000 0.967 14 D CB 1.229 42.026 40.800 -0.005 0.000 1.382 14 D HN 0.430 nan 8.370 nan 0.000 0.549 15 K N 0.744 121.253 120.400 0.182 0.000 2.439 15 K HA 0.080 4.401 4.320 0.001 0.000 0.197 15 K C 1.683 178.403 176.600 0.200 0.000 1.041 15 K CA 0.719 57.144 56.287 0.231 0.000 0.970 15 K CB 0.438 33.018 32.500 0.133 0.000 0.773 15 K HN 0.351 nan 8.250 nan 0.000 0.479 16 G N 0.096 108.989 108.800 0.155 0.000 2.777 16 G HA2 -0.152 3.809 3.960 0.001 0.000 0.211 16 G HA3 -0.152 3.809 3.960 0.001 0.000 0.211 16 G C 0.008 174.985 174.900 0.128 0.000 1.149 16 G CA -0.234 44.935 45.100 0.116 0.000 0.785 16 G HN 0.192 nan 8.290 nan 0.000 0.536 17 Y N 1.493 121.824 120.300 0.051 0.000 2.511 17 Y HA 0.396 4.947 4.550 0.001 0.000 0.332 17 Y C -0.044 175.818 175.900 -0.063 0.000 1.177 17 Y CA -0.906 57.181 58.100 -0.020 0.000 1.422 17 Y CB 0.875 39.305 38.460 -0.049 0.000 1.271 17 Y HN 0.066 nan 8.280 nan 0.000 0.550 18 E N 8.428 128.141 120.200 -0.811 0.000 2.145 18 E HA 0.408 4.758 4.350 0.001 0.000 0.270 18 E C -2.748 173.188 176.600 -1.107 0.000 0.906 18 E CA -2.792 53.191 56.400 -0.695 0.000 0.761 18 E CB 0.874 30.354 29.700 -0.366 0.000 1.116 18 E HN 0.357 nan 8.360 nan 0.000 0.408 19 P HA 0.038 nan 4.420 nan 0.000 0.271 19 P C -0.593 176.545 177.300 -0.270 0.000 1.218 19 P CA -0.368 62.424 63.100 -0.514 0.000 0.780 19 P CB 1.274 32.720 31.700 -0.424 0.000 0.901 20 S N 1.549 117.199 115.700 -0.083 0.000 2.465 20 S HA 0.119 4.590 4.470 0.001 0.000 0.279 20 S C 1.212 175.861 174.600 0.082 0.000 1.201 20 S CA -0.546 57.655 58.200 0.001 0.000 1.053 20 S CB 0.021 63.262 63.200 0.068 0.000 0.953 20 S HN 0.262 nan 8.310 nan 0.000 0.488 21 K N 3.101 123.539 120.400 0.063 0.000 2.147 21 K HA -0.027 4.294 4.320 0.001 0.000 0.205 21 K C 1.360 178.123 176.600 0.271 0.000 1.049 21 K CA 0.986 57.355 56.287 0.138 0.000 0.936 21 K CB 0.027 32.582 32.500 0.091 0.000 0.722 21 K HN 0.457 nan 8.250 nan 0.000 0.446 22 K N 0.272 120.788 120.400 0.193 0.000 2.356 22 K HA 0.048 4.369 4.320 0.001 0.000 0.195 22 K C 1.544 178.287 176.600 0.238 0.000 1.037 22 K CA 0.735 57.129 56.287 0.179 0.000 1.014 22 K CB 0.388 32.959 32.500 0.119 0.000 0.815 22 K HN 0.163 nan 8.250 nan 0.000 0.507 23 R N 0.006 120.687 120.500 0.301 0.000 2.453 23 R HA 0.147 4.488 4.340 0.001 0.000 0.233 23 R C -0.390 176.190 176.300 0.465 0.000 0.895 23 R CA -0.117 56.255 56.100 0.453 0.000 1.028 23 R CB 0.773 31.238 30.300 0.274 0.000 1.255 23 R HN -0.024 nan 8.270 nan 0.000 0.571 24 D N 0.937 121.566 120.400 0.382 0.000 2.217 24 D HA 0.264 4.905 4.640 0.001 0.000 0.243 24 D C -0.505 176.081 176.300 0.477 0.000 1.054 24 D CA -0.470 53.762 54.000 0.387 0.000 0.838 24 D CB 1.772 42.751 40.800 0.298 0.000 1.162 24 D HN -0.170 nan 8.370 nan 0.000 0.472 25 I N 2.215 123.077 120.570 0.488 0.000 2.474 25 I HA 0.239 4.410 4.170 0.001 0.000 0.287 25 I C 0.281 176.741 176.117 0.571 0.000 1.048 25 I CA -0.129 61.471 61.300 0.500 0.000 1.383 25 I CB 0.637 38.869 38.000 0.387 0.000 1.412 25 I HN 0.169 nan 8.210 nan 0.000 0.531 26 I N 5.469 126.365 120.570 0.544 0.000 2.436 26 I HA 0.606 4.777 4.170 0.001 0.000 0.289 26 I C -0.247 176.073 176.117 0.339 0.000 1.010 26 I CA -0.710 60.875 61.300 0.475 0.000 1.098 26 I CB 1.731 39.969 38.000 0.396 0.000 1.266 26 I HN 0.616 nan 8.210 nan 0.000 0.434 27 A N 6.450 129.473 122.820 0.340 0.000 2.276 27 A HA 0.730 5.051 4.320 0.001 0.000 0.316 27 A C -0.534 176.976 177.584 -0.122 0.000 1.229 27 A CA -0.494 51.557 52.037 0.024 0.000 0.851 27 A CB 0.978 20.000 19.000 0.037 0.000 1.165 27 A HN 0.461 nan 8.150 nan 0.000 0.513 28 V N 3.361 123.110 119.914 -0.274 0.000 2.350 28 V HA 0.399 4.520 4.120 0.001 0.000 0.276 28 V C -0.868 175.010 176.094 -0.360 0.000 1.028 28 V CA -0.019 62.157 62.300 -0.207 0.000 0.860 28 V CB 0.041 31.799 31.823 -0.108 0.000 0.990 28 V HN 0.677 nan 8.190 nan 0.000 0.453 29 F N 3.390 123.355 119.950 0.024 0.000 2.469 29 F HA 0.583 5.111 4.527 0.001 0.000 0.332 29 F C 0.511 176.360 175.800 0.082 0.000 1.103 29 F CA -0.789 57.242 58.000 0.051 0.000 0.979 29 F CB 1.636 40.646 39.000 0.017 0.000 1.137 29 F HN 0.317 nan 8.300 nan 0.000 0.463 30 R N 2.767 123.459 120.500 0.320 0.000 2.196 30 R HA 0.581 4.922 4.340 0.001 0.000 0.340 30 R C -1.711 174.785 176.300 0.328 0.000 1.043 30 R CA -0.253 56.030 56.100 0.304 0.000 0.883 30 R CB 0.428 30.897 30.300 0.282 0.000 1.078 30 R HN 0.549 nan 8.270 nan 0.000 0.462 31 V N 4.264 124.365 119.914 0.310 0.000 2.370 31 V HA 0.288 4.408 4.120 0.001 0.000 0.283 31 V C -0.118 176.159 176.094 0.305 0.000 1.023 31 V CA -0.616 61.839 62.300 0.258 0.000 0.857 31 V CB 1.797 33.716 31.823 0.160 0.000 0.985 31 V HN 0.750 nan 8.190 nan 0.000 0.443 32 T N 7.760 122.474 114.554 0.266 0.000 2.821 32 T HA 0.392 4.743 4.350 0.001 0.000 0.307 32 T C -2.611 172.189 174.700 0.166 0.000 1.034 32 T CA -1.216 61.028 62.100 0.239 0.000 0.953 32 T CB 1.441 70.431 68.868 0.204 0.000 0.968 32 T HN 0.410 nan 8.240 nan 0.000 0.462 33 P HA 0.343 nan 4.420 nan 0.000 0.272 33 P C -0.512 176.869 177.300 0.135 0.000 1.223 33 P CA -0.509 62.663 63.100 0.120 0.000 0.784 33 P CB 0.463 32.243 31.700 0.133 0.000 0.923 34 A N 1.749 124.651 122.820 0.135 0.000 2.386 34 A HA 0.103 4.423 4.320 0.001 0.000 0.248 34 A C 0.463 178.200 177.584 0.254 0.000 1.082 34 A CA -0.418 51.724 52.037 0.175 0.000 0.789 34 A CB -0.424 18.671 19.000 0.157 0.000 1.025 34 A HN 0.647 nan 8.150 nan 0.000 0.490 35 E N 0.534 120.830 120.200 0.161 0.000 2.765 35 E HA 0.151 4.501 4.350 0.001 0.000 0.256 35 E C 1.186 177.829 176.600 0.071 0.000 0.935 35 E CA 1.192 57.654 56.400 0.103 0.000 0.954 35 E CB -0.159 29.579 29.700 0.062 0.000 0.908 35 E HN 1.639 nan 8.360 nan 0.000 0.500 36 G N 3.298 112.090 108.800 -0.013 0.000 2.175 36 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 36 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 36 G C -0.582 174.107 174.900 -0.351 0.000 0.982 36 G CA 0.317 45.301 45.100 -0.193 0.000 0.641 36 G HN 0.531 nan 8.290 nan 0.000 0.527 37 Y N 1.518 121.833 120.300 0.025 0.000 2.393 37 Y HA 0.594 5.145 4.550 0.001 0.000 0.341 37 Y C 1.112 177.013 175.900 0.000 0.000 0.988 37 Y CA -0.136 57.974 58.100 0.018 0.000 1.078 37 Y CB 1.696 40.169 38.460 0.021 0.000 1.203 37 Y HN 0.272 nan 8.280 nan 0.000 0.453 38 T N -0.743 113.883 114.554 0.119 0.000 2.868 38 T HA 0.127 4.478 4.350 0.001 0.000 0.292 38 T C 1.085 175.750 174.700 -0.058 0.000 1.028 38 T CA -0.561 61.540 62.100 0.003 0.000 1.059 38 T CB 0.898 69.736 68.868 -0.049 0.000 0.991 38 T HN 0.637 nan 8.240 nan 0.000 0.531 39 I N 0.903 121.319 120.570 -0.256 0.000 2.335 39 I HA -0.098 4.073 4.170 0.001 0.000 0.251 39 I C 2.081 178.099 176.117 -0.165 0.000 1.129 39 I CA 1.601 62.676 61.300 -0.374 0.000 1.402 39 I CB -0.714 36.605 38.000 -1.133 0.000 1.069 39 I HN 0.792 nan 8.210 nan 0.000 0.424 40 E N -0.004 120.068 120.200 -0.213 0.000 2.106 40 E HA -0.205 4.145 4.350 0.001 0.000 0.192 40 E C 2.219 178.825 176.600 0.009 0.000 0.984 40 E CA 1.201 57.533 56.400 -0.114 0.000 0.806 40 E CB -0.281 29.293 29.700 -0.211 0.000 0.750 40 E HN 0.598 nan 8.360 nan 0.000 0.458 41 Q N -0.163 119.653 119.800 0.028 0.000 2.124 41 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 41 Q C 2.154 178.158 176.000 0.006 0.000 0.977 41 Q CA 1.352 57.214 55.803 0.098 0.000 0.850 41 Q CB -0.139 28.730 28.738 0.218 0.000 0.901 41 Q HN 0.305 nan 8.270 nan 0.000 0.429 42 A N 0.917 123.719 122.820 -0.029 0.000 1.854 42 A HA -0.039 4.282 4.320 0.001 0.000 0.214 42 A C 2.282 179.781 177.584 -0.140 0.000 1.192 42 A CA 1.397 53.368 52.037 -0.111 0.000 0.611 42 A CB -0.797 18.166 19.000 -0.061 0.000 0.832 42 A HN 0.380 nan 8.150 nan 0.000 0.442 43 A N -0.361 122.428 122.820 -0.051 0.000 1.902 43 A HA 0.108 4.428 4.320 0.001 0.000 0.217 43 A C 2.411 179.948 177.584 -0.078 0.000 1.181 43 A CA 1.978 53.984 52.037 -0.051 0.000 0.623 43 A CB -1.443 17.619 19.000 0.103 0.000 0.818 43 A HN 0.749 nan 8.150 nan 0.000 0.443 44 G N -0.434 108.357 108.800 -0.014 0.000 2.440 44 G HA2 -0.043 3.917 3.960 0.001 0.000 0.218 44 G HA3 -0.043 3.917 3.960 0.001 0.000 0.218 44 G C 1.751 176.489 174.900 -0.269 0.000 1.154 44 G CA 1.574 46.678 45.100 0.007 0.000 0.767 44 G HN 0.820 nan 8.290 nan 0.000 0.552 45 A N 0.037 122.546 122.820 -0.519 0.000 1.902 45 A HA 0.066 4.387 4.320 0.001 0.000 0.217 45 A C 2.629 179.841 177.584 -0.620 0.000 1.181 45 A CA 1.907 53.337 52.037 -1.012 0.000 0.623 45 A CB -0.656 17.837 19.000 -0.845 0.000 0.818 45 A HN 0.268 nan 8.150 nan 0.000 0.443 46 V N -0.125 119.528 119.914 -0.436 0.000 2.261 46 V HA -0.248 3.872 4.120 0.001 0.000 0.246 46 V C 3.086 178.983 176.094 -0.328 0.000 1.047 46 V CA 1.968 64.017 62.300 -0.418 0.000 1.015 46 V CB -1.341 30.175 31.823 -0.511 0.000 0.642 46 V HN 0.625 nan 8.190 nan 0.000 0.446 47 A N 0.046 122.711 122.820 -0.260 0.000 1.892 47 A HA -0.213 4.108 4.320 0.001 0.000 0.218 47 A C 2.424 179.821 177.584 -0.313 0.000 1.188 47 A CA 2.561 54.493 52.037 -0.175 0.000 0.631 47 A CB -0.924 18.037 19.000 -0.065 0.000 0.822 47 A HN 0.596 nan 8.150 nan 0.000 0.447 48 A N -0.603 121.850 122.820 -0.612 0.000 1.845 48 A HA -0.148 4.172 4.320 0.001 0.000 0.215 48 A C 1.922 179.283 177.584 -0.371 0.000 1.195 48 A CA 1.650 53.122 52.037 -0.942 0.000 0.616 48 A CB -0.517 18.054 19.000 -0.715 0.000 0.832 48 A HN 0.461 nan 8.150 nan 0.000 0.443 49 E N 0.484 120.535 120.200 -0.249 0.000 2.268 49 E HA -0.105 4.246 4.350 0.001 0.000 0.195 49 E C 2.014 178.574 176.600 -0.066 0.000 0.995 49 E CA 1.284 57.621 56.400 -0.106 0.000 0.836 49 E CB -0.323 29.309 29.700 -0.114 0.000 0.763 49 E HN 0.729 nan 8.360 nan 0.000 0.491 50 S N -1.177 114.485 115.700 -0.063 0.000 2.605 50 S HA 0.188 4.659 4.470 0.001 0.000 0.217 50 S C 1.288 175.985 174.600 0.162 0.000 0.958 50 S CA 0.102 58.332 58.200 0.050 0.000 0.919 50 S CB 0.550 63.810 63.200 0.099 0.000 0.780 50 S HN 0.019 nan 8.310 nan 0.000 0.507 51 S N 1.335 117.080 115.700 0.075 0.000 3.894 51 S HA 0.348 4.818 4.470 0.001 0.000 0.189 51 S C 1.003 175.616 174.600 0.022 0.000 1.096 51 S CA 0.500 58.752 58.200 0.087 0.000 1.481 51 S CB 0.296 63.553 63.200 0.095 0.000 1.321 51 S HN 0.566 nan 8.310 nan 0.000 0.828 52 T N -0.098 114.486 114.554 0.049 0.000 3.084 52 T HA 0.480 4.831 4.350 0.001 0.000 0.270 52 T C 0.691 175.554 174.700 0.272 0.000 1.008 52 T CA 0.256 62.418 62.100 0.104 0.000 0.900 52 T CB 0.144 68.965 68.868 -0.078 0.000 1.084 52 T HN 0.534 nan 8.240 nan 0.000 0.538 53 G N 0.343 109.220 108.800 0.128 0.000 2.580 53 G HA2 0.536 4.496 3.960 0.001 0.000 0.278 53 G HA3 0.536 4.496 3.960 0.001 0.000 0.278 53 G C -0.826 174.175 174.900 0.169 0.000 1.212 53 G CA -0.319 44.878 45.100 0.162 0.000 0.939 53 G HN 0.361 nan 8.290 nan 0.000 0.513 54 T N -1.238 113.424 114.554 0.181 0.000 2.816 54 T HA 0.408 4.758 4.350 0.001 0.000 0.299 54 T C 0.226 174.968 174.700 0.070 0.000 1.230 54 T CA -0.604 61.563 62.100 0.112 0.000 1.007 54 T CB 1.029 69.877 68.868 -0.032 0.000 1.289 54 T HN 0.710 nan 8.240 nan 0.000 0.508 55 W N 1.853 123.169 121.300 0.027 0.000 3.180 55 W HA 0.365 5.026 4.660 0.001 0.000 0.254 55 W C 0.084 176.510 176.519 -0.155 0.000 1.318 55 W CA 0.179 57.478 57.345 -0.077 0.000 1.608 55 W CB -0.713 28.773 29.460 0.044 0.000 1.124 55 W HN 0.637 nan 8.180 nan 0.000 0.694 56 T N 1.445 115.611 114.554 -0.646 0.000 2.923 56 T HA 0.285 4.636 4.350 0.001 0.000 0.311 56 T C 0.149 174.609 174.700 -0.401 0.000 1.183 56 T CA -0.019 61.703 62.100 -0.630 0.000 1.020 56 T CB 1.284 69.433 68.868 -1.198 0.000 1.165 56 T HN 0.083 nan 8.240 nan 0.000 0.482 57 T N 0.579 114.977 114.554 -0.259 0.000 2.898 57 T HA 0.434 4.785 4.350 0.001 0.000 0.331 57 T C 0.432 175.036 174.700 -0.160 0.000 1.085 57 T CA 0.272 62.267 62.100 -0.175 0.000 1.129 57 T CB -0.387 68.404 68.868 -0.127 0.000 1.054 57 T HN 1.263 nan 8.240 nan 0.000 0.540 58 L N 1.839 123.003 121.223 -0.099 0.000 2.354 58 L HA 0.764 5.105 4.340 0.001 0.000 0.264 58 L C -0.226 176.690 176.870 0.077 0.000 1.008 58 L CA -1.894 52.950 54.840 0.006 0.000 0.819 58 L CB 0.815 42.906 42.059 0.053 0.000 1.339 58 L HN 1.044 nan 8.230 nan 0.000 0.420 59 Y N 3.933 124.276 120.300 0.071 0.000 2.442 59 Y HA 0.521 5.072 4.550 0.001 0.000 0.330 59 Y C -1.669 174.341 175.900 0.183 0.000 1.129 59 Y CA -1.526 56.631 58.100 0.094 0.000 1.365 59 Y CB 1.176 39.694 38.460 0.098 0.000 1.233 59 Y HN 0.572 nan 8.280 nan 0.000 0.529 60 P HA 0.025 nan 4.420 nan 0.000 0.280 60 P C -0.515 176.503 177.300 -0.470 0.000 1.386 60 P CA 0.101 62.806 63.100 -0.659 0.000 0.899 60 P CB -0.206 31.089 31.700 -0.675 0.000 1.098 61 W N 4.269 125.400 121.300 -0.281 0.000 2.252 61 W HA 0.234 4.895 4.660 0.001 0.000 0.338 61 W C -1.317 175.241 176.519 0.064 0.000 0.914 61 W CA -0.753 56.613 57.345 0.035 0.000 1.754 61 W CB -0.863 28.786 29.460 0.315 0.000 1.135 61 W HN 0.197 nan 8.180 nan 0.000 0.531 62 Y N -1.181 118.828 120.300 -0.484 0.000 2.644 62 Y HA 0.605 5.155 4.550 0.001 0.000 0.338 62 Y C -0.350 175.364 175.900 -0.309 0.000 1.119 62 Y CA -2.154 55.634 58.100 -0.520 0.000 1.060 62 Y CB 0.429 38.328 38.460 -0.935 0.000 1.294 62 Y HN -0.062 nan 8.280 nan 0.000 0.472 63 E N 1.888 122.057 120.200 -0.051 0.000 2.265 63 E HA 0.008 4.359 4.350 0.001 0.000 0.272 63 E C 0.331 176.956 176.600 0.042 0.000 1.067 63 E CA -0.140 56.230 56.400 -0.050 0.000 0.900 63 E CB 0.799 30.499 29.700 0.000 0.000 1.017 63 E HN 0.734 nan 8.360 nan 0.000 0.431 64 Q N 2.814 122.558 119.800 -0.092 0.000 2.124 64 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 64 Q C 2.093 178.198 176.000 0.175 0.000 0.977 64 Q CA 1.944 57.748 55.803 0.001 0.000 0.850 64 Q CB -0.386 28.268 28.738 -0.140 0.000 0.901 64 Q HN 0.804 nan 8.270 nan 0.000 0.429 65 E N 1.902 122.154 120.200 0.088 0.000 2.051 65 E HA -0.223 4.127 4.350 0.001 0.000 0.192 65 E C 1.866 178.526 176.600 0.101 0.000 0.991 65 E CA 1.512 57.964 56.400 0.087 0.000 0.799 65 E CB -0.637 29.085 29.700 0.038 0.000 0.748 65 E HN 0.354 nan 8.360 nan 0.000 0.449 66 R N -1.443 119.114 120.500 0.095 0.000 2.073 66 R HA -0.138 4.203 4.340 0.001 0.000 0.234 66 R C 2.345 178.683 176.300 0.063 0.000 1.134 66 R CA 1.907 58.043 56.100 0.061 0.000 0.952 66 R CB -0.569 29.758 30.300 0.045 0.000 0.850 66 R HN 0.674 nan 8.270 nan 0.000 0.433 67 W N 0.993 122.265 121.300 -0.046 0.000 2.317 67 W HA -0.252 4.408 4.660 0.001 0.000 0.318 67 W C 2.045 178.527 176.519 -0.061 0.000 1.227 67 W CA 2.495 59.789 57.345 -0.085 0.000 1.269 67 W CB -0.490 28.944 29.460 -0.043 0.000 1.155 67 W HN 0.212 nan 8.180 nan 0.000 0.484 68 A N -0.241 122.661 122.820 0.137 0.000 1.972 68 A HA -0.236 4.084 4.320 0.001 0.000 0.219 68 A C 1.653 179.121 177.584 -0.193 0.000 1.169 68 A CA 2.161 54.131 52.037 -0.113 0.000 0.635 68 A CB -1.244 17.902 19.000 0.243 0.000 0.810 68 A HN 0.459 nan 8.150 nan 0.000 0.446 69 D N -0.469 119.869 120.400 -0.104 0.000 2.218 69 D HA -0.070 4.570 4.640 0.001 0.000 0.204 69 D C 1.449 177.620 176.300 -0.214 0.000 0.976 69 D CA 0.966 54.908 54.000 -0.097 0.000 0.853 69 D CB -0.101 40.694 40.800 -0.008 0.000 0.939 69 D HN 0.444 nan 8.370 nan 0.000 0.481 70 L N -0.385 120.642 121.223 -0.327 0.000 2.640 70 L HA 0.255 4.596 4.340 0.001 0.000 0.230 70 L C 0.491 177.124 176.870 -0.394 0.000 1.123 70 L CA -0.239 54.350 54.840 -0.418 0.000 0.900 70 L CB 0.375 42.184 42.059 -0.417 0.000 1.146 70 L HN -0.156 nan 8.230 nan 0.000 0.484 71 S N 0.893 116.324 115.700 -0.447 0.000 2.580 71 S HA 0.536 5.007 4.470 0.001 0.000 0.274 71 S C 0.459 174.908 174.600 -0.252 0.000 1.329 71 S CA -0.590 57.388 58.200 -0.370 0.000 1.036 71 S CB 1.594 64.438 63.200 -0.593 0.000 0.919 71 S HN 0.265 nan 8.310 nan 0.000 0.515 72 A N 2.864 125.618 122.820 -0.109 0.000 2.287 72 A HA 0.657 4.977 4.320 0.001 0.000 0.273 72 A C -0.275 177.170 177.584 -0.231 0.000 1.091 72 A CA -0.515 51.349 52.037 -0.288 0.000 0.817 72 A CB 0.369 19.030 19.000 -0.564 0.000 1.069 72 A HN 0.576 nan 8.150 nan 0.000 0.492 73 K N 0.534 120.743 120.400 -0.318 0.000 2.507 73 K HA 0.542 4.862 4.320 0.001 0.000 0.252 73 K C -0.802 175.787 176.600 -0.017 0.000 0.943 73 K CA -0.304 55.859 56.287 -0.207 0.000 0.808 73 K CB 1.673 33.921 32.500 -0.419 0.000 1.142 73 K HN 0.779 nan 8.250 nan 0.000 0.426 74 A N 3.337 126.181 122.820 0.039 0.000 2.396 74 A HA 0.323 4.643 4.320 0.001 0.000 0.279 74 A C 0.217 177.908 177.584 0.177 0.000 1.165 74 A CA -0.045 52.013 52.037 0.035 0.000 0.824 74 A CB -0.423 18.585 19.000 0.014 0.000 1.100 74 A HN 0.825 nan 8.150 nan 0.000 0.516 75 Y N 0.244 120.563 120.300 0.032 0.000 2.423 75 Y HA 0.492 5.043 4.550 0.001 0.000 0.257 75 Y C 0.001 176.011 175.900 0.184 0.000 1.087 75 Y CA -0.283 57.918 58.100 0.168 0.000 1.258 75 Y CB 0.303 38.896 38.460 0.223 0.000 1.237 75 Y HN 0.475 nan 8.280 nan 0.000 0.517 76 D N 0.469 120.523 120.400 -0.577 0.000 2.649 76 D HA 0.480 5.121 4.640 0.001 0.000 0.249 76 D C -1.845 174.238 176.300 -0.361 0.000 1.112 76 D CA -0.362 53.440 54.000 -0.330 0.000 0.850 76 D CB 1.384 41.862 40.800 -0.536 0.000 1.399 76 D HN 0.063 nan 8.370 nan 0.000 0.503 77 F N 1.996 121.967 119.950 0.036 0.000 2.539 77 F HA 0.337 4.864 4.527 0.001 0.000 0.318 77 F C -0.599 175.397 175.800 0.326 0.000 1.135 77 F CA -0.987 57.126 58.000 0.189 0.000 0.915 77 F CB 1.923 41.010 39.000 0.146 0.000 1.176 77 F HN 0.366 nan 8.300 nan 0.000 0.440 78 H N 2.024 121.319 119.070 0.375 0.000 2.658 78 H HA 0.263 4.820 4.556 0.001 0.000 0.337 78 H C -1.210 174.118 175.328 -0.000 0.000 1.009 78 H CA -0.747 55.395 56.048 0.158 0.000 1.231 78 H CB 1.126 30.876 29.762 -0.020 0.000 1.508 78 H HN 0.492 nan 8.280 nan 0.000 0.517 79 D N 4.960 124.840 120.400 -0.867 0.000 2.343 79 D HA -0.007 4.634 4.640 0.001 0.000 0.255 79 D C 0.768 176.469 176.300 -0.999 0.000 1.187 79 D CA -0.169 52.958 54.000 -1.455 0.000 0.875 79 D CB 0.896 40.785 40.800 -1.519 0.000 1.136 79 D HN 0.595 nan 8.370 nan 0.000 0.469 80 M N 2.243 121.451 119.600 -0.653 0.000 2.506 80 M HA 0.119 4.599 4.480 0.001 0.000 0.260 80 M C 1.529 177.688 176.300 -0.234 0.000 1.104 80 M CA 0.647 55.773 55.300 -0.291 0.000 1.112 80 M CB -0.687 31.879 32.600 -0.056 0.000 1.401 80 M HN 0.733 nan 8.290 nan 0.000 0.473 81 G N 1.800 110.403 108.800 -0.328 0.000 2.159 81 G HA2 -0.234 3.726 3.960 0.001 0.000 0.256 81 G HA3 -0.234 3.726 3.960 0.001 0.000 0.256 81 G C 0.092 174.936 174.900 -0.094 0.000 0.977 81 G CA 0.674 45.651 45.100 -0.205 0.000 0.652 81 G HN 0.576 nan 8.290 nan 0.000 0.531 82 D N -1.341 119.025 120.400 -0.057 0.000 2.513 82 D HA 0.436 5.077 4.640 0.001 0.000 0.222 82 D C 1.611 177.925 176.300 0.024 0.000 1.210 82 D CA 0.545 54.556 54.000 0.018 0.000 0.825 82 D CB -0.297 40.569 40.800 0.111 0.000 1.037 82 D HN 1.477 nan 8.370 nan 0.000 0.506 83 G N 0.269 109.077 108.800 0.013 0.000 2.195 83 G HA2 -0.238 3.722 3.960 0.001 0.000 0.246 83 G HA3 -0.238 3.722 3.960 0.001 0.000 0.246 83 G C 0.335 175.353 174.900 0.198 0.000 0.984 83 G CA 0.302 45.459 45.100 0.095 0.000 0.633 83 G HN 0.939 nan 8.290 nan 0.000 0.525 84 S N -0.963 114.840 115.700 0.172 0.000 2.621 84 S HA 0.841 5.312 4.470 0.001 0.000 0.302 84 S C -0.798 173.922 174.600 0.200 0.000 1.093 84 S CA -0.666 57.721 58.200 0.312 0.000 1.017 84 S CB 2.034 65.477 63.200 0.405 0.000 1.077 84 S HN 0.620 nan 8.310 nan 0.000 0.517 85 W N 0.364 121.753 121.300 0.149 0.000 2.936 85 W HA 0.577 5.238 4.660 0.001 0.000 0.338 85 W C -0.868 175.719 176.519 0.113 0.000 1.121 85 W CA -1.044 56.373 57.345 0.119 0.000 1.209 85 W CB 1.198 30.745 29.460 0.145 0.000 1.420 85 W HN 0.457 nan 8.180 nan 0.000 0.516 86 I N 3.633 124.384 120.570 0.301 0.000 2.325 86 I HA 0.297 4.467 4.170 0.001 0.000 0.291 86 I C -0.267 175.899 176.117 0.081 0.000 1.019 86 I CA -0.939 60.457 61.300 0.160 0.000 1.302 86 I CB 0.234 38.243 38.000 0.014 0.000 1.401 86 I HN 0.054 nan 8.210 nan 0.000 0.485 87 V N 7.754 127.665 119.914 -0.005 0.000 2.487 87 V HA 0.464 4.584 4.120 0.001 0.000 0.298 87 V C 0.227 176.198 176.094 -0.206 0.000 1.028 87 V CA -0.906 61.230 62.300 -0.273 0.000 0.860 87 V CB 2.075 33.693 31.823 -0.342 0.000 0.991 87 V HN 0.621 nan 8.190 nan 0.000 0.427 88 R N 4.970 125.219 120.500 -0.418 0.000 2.346 88 R HA 0.720 5.061 4.340 0.001 0.000 0.311 88 R C -1.058 175.069 176.300 -0.289 0.000 0.983 88 R CA -0.439 55.446 56.100 -0.360 0.000 0.880 88 R CB 1.586 31.514 30.300 -0.621 0.000 1.100 88 R HN 0.603 nan 8.270 nan 0.000 0.453 89 I N 1.920 122.555 120.570 0.108 0.000 2.436 89 I HA 0.418 4.589 4.170 0.001 0.000 0.289 89 I C -0.175 176.074 176.117 0.220 0.000 1.010 89 I CA -0.947 60.443 61.300 0.151 0.000 1.098 89 I CB 2.078 40.137 38.000 0.099 0.000 1.266 89 I HN 0.608 nan 8.210 nan 0.000 0.434 90 A N 6.415 129.315 122.820 0.135 0.000 2.312 90 A HA 0.790 5.110 4.320 0.001 0.000 0.326 90 A C -1.434 176.038 177.584 -0.186 0.000 1.172 90 A CA -0.237 51.867 52.037 0.112 0.000 0.821 90 A CB 0.499 19.557 19.000 0.096 0.000 1.166 90 A HN 0.642 nan 8.150 nan 0.000 0.493 91 Y N 2.098 122.521 120.300 0.205 0.000 2.406 91 Y HA 0.454 5.005 4.550 0.001 0.000 0.340 91 Y C -2.256 173.751 175.900 0.178 0.000 0.975 91 Y CA -2.508 55.697 58.100 0.175 0.000 1.056 91 Y CB 2.212 40.892 38.460 0.367 0.000 1.210 91 Y HN 0.504 nan 8.280 nan 0.000 0.448 92 P HA -0.028 nan 4.420 nan 0.000 0.271 92 P C 0.495 177.884 177.300 0.148 0.000 1.216 92 P CA -0.157 63.002 63.100 0.099 0.000 0.771 92 P CB 0.563 32.219 31.700 -0.072 0.000 0.864 93 F N 3.334 123.460 119.950 0.293 0.000 2.269 93 F HA -0.171 4.356 4.527 0.001 0.000 0.301 93 F C 1.774 177.721 175.800 0.246 0.000 1.082 93 F CA 1.244 59.416 58.000 0.287 0.000 1.360 93 F CB -1.689 37.412 39.000 0.169 0.000 1.041 93 F HN 0.422 nan 8.300 nan 0.000 0.512 94 H N -0.301 118.499 119.070 -0.451 0.000 2.543 94 H HA 0.482 5.039 4.556 0.001 0.000 0.269 94 H C 1.599 176.808 175.328 -0.198 0.000 1.005 94 H CA 0.473 56.361 56.048 -0.268 0.000 1.146 94 H CB -0.775 28.705 29.762 -0.470 0.000 1.353 94 H HN 0.400 nan 8.280 nan 0.000 0.595 95 A N 0.524 123.012 122.820 -0.555 0.000 2.119 95 A HA 0.179 4.500 4.320 0.001 0.000 0.216 95 A C 0.072 177.255 177.584 -0.669 0.000 1.152 95 A CA -0.023 51.589 52.037 -0.709 0.000 0.708 95 A CB -0.285 18.183 19.000 -0.887 0.000 0.805 95 A HN 0.189 nan 8.150 nan 0.000 0.460 96 F N -0.217 119.708 119.950 -0.042 0.000 2.492 96 F HA 0.427 4.955 4.527 0.001 0.000 0.327 96 F C 0.454 176.251 175.800 -0.006 0.000 1.079 96 F CA -1.377 56.605 58.000 -0.029 0.000 0.967 96 F CB 0.924 39.897 39.000 -0.044 0.000 1.169 96 F HN 0.162 nan 8.300 nan 0.000 0.472 97 E N 1.901 122.199 120.200 0.164 0.000 2.413 97 E HA 0.014 4.365 4.350 0.001 0.000 0.263 97 E C -0.561 176.077 176.600 0.062 0.000 1.015 97 E CA -0.375 56.077 56.400 0.086 0.000 0.916 97 E CB 0.502 30.232 29.700 0.049 0.000 0.947 97 E HN 0.603 nan 8.360 nan 0.000 0.440 98 E N 2.410 122.629 120.200 0.032 0.000 2.414 98 E HA 0.107 4.458 4.350 0.001 0.000 0.263 98 E C 0.101 176.646 176.600 -0.093 0.000 1.000 98 E CA 0.584 56.966 56.400 -0.029 0.000 0.914 98 E CB 0.533 30.214 29.700 -0.031 0.000 0.948 98 E HN 0.729 nan 8.360 nan 0.000 0.444 99 A N 3.936 126.646 122.820 -0.182 0.000 2.687 99 A HA -0.220 4.101 4.320 0.001 0.000 0.299 99 A C 0.007 177.485 177.584 -0.177 0.000 1.497 99 A CA 0.899 52.781 52.037 -0.258 0.000 0.751 99 A CB -1.574 17.283 19.000 -0.237 0.000 1.048 99 A HN 0.518 nan 8.150 nan 0.000 0.464 100 N N -0.255 118.361 118.700 -0.140 0.000 2.762 100 N HA 0.376 5.117 4.740 0.001 0.000 0.252 100 N C 0.434 175.889 175.510 -0.091 0.000 1.269 100 N CA -0.242 52.760 53.050 -0.080 0.000 0.799 100 N CB 0.579 39.047 38.487 -0.031 0.000 1.173 100 N HN 0.396 nan 8.380 nan 0.000 0.516 101 L N 4.563 125.739 121.223 -0.077 0.000 2.017 101 L HA 0.204 4.545 4.340 0.001 0.000 0.208 101 L C -0.991 175.802 176.870 -0.128 0.000 1.073 101 L CA 2.024 56.822 54.840 -0.071 0.000 0.745 101 L CB -0.970 41.129 42.059 0.068 0.000 0.894 101 L HN 0.321 nan 8.230 nan 0.000 0.432 102 P HA -0.137 nan 4.420 nan 0.000 0.215 102 P C 1.635 178.903 177.300 -0.053 0.000 1.157 102 P CA 1.967 65.048 63.100 -0.031 0.000 0.874 102 P CB -0.440 31.300 31.700 0.066 0.000 0.790 103 G N -0.453 108.329 108.800 -0.031 0.000 2.432 103 G HA2 -0.227 3.734 3.960 0.001 0.000 0.219 103 G HA3 -0.227 3.734 3.960 0.001 0.000 0.219 103 G C 1.432 176.318 174.900 -0.024 0.000 1.135 103 G CA 0.411 45.509 45.100 -0.002 0.000 0.767 103 G HN 0.211 nan 8.290 nan 0.000 0.550 104 L N 0.542 121.683 121.223 -0.137 0.000 2.027 104 L HA 0.186 4.526 4.340 0.001 0.000 0.206 104 L C 2.649 179.363 176.870 -0.259 0.000 1.074 104 L CA 1.280 55.925 54.840 -0.325 0.000 0.745 104 L CB -0.697 41.051 42.059 -0.517 0.000 0.898 104 L HN 0.196 nan 8.230 nan 0.000 0.433 105 L N -0.305 120.770 121.223 -0.247 0.000 2.127 105 L HA -0.188 4.152 4.340 0.001 0.000 0.211 105 L C 2.640 179.447 176.870 -0.106 0.000 1.089 105 L CA 1.102 55.801 54.840 -0.235 0.000 0.757 105 L CB -0.936 40.881 42.059 -0.402 0.000 0.899 105 L HN 0.389 nan 8.230 nan 0.000 0.434 106 A N -1.059 121.723 122.820 -0.063 0.000 1.978 106 A HA -0.196 4.124 4.320 0.001 0.000 0.220 106 A C 2.511 180.103 177.584 0.013 0.000 1.170 106 A CA 2.175 54.212 52.037 -0.000 0.000 0.636 106 A CB -0.396 18.616 19.000 0.022 0.000 0.810 106 A HN 0.371 nan 8.150 nan 0.000 0.448 107 S N -0.545 115.163 115.700 0.013 0.000 2.341 107 S HA -0.014 4.457 4.470 0.001 0.000 0.216 107 S C 1.572 176.166 174.600 -0.010 0.000 1.034 107 S CA 1.249 59.477 58.200 0.048 0.000 0.964 107 S CB -0.289 63.034 63.200 0.205 0.000 0.882 107 S HN 0.725 nan 8.310 nan 0.000 0.469 108 I N -0.675 119.850 120.570 -0.076 0.000 3.793 108 I HA 0.505 4.676 4.170 0.001 0.000 0.315 108 I C 0.753 176.904 176.117 0.055 0.000 1.275 108 I CA -0.203 61.086 61.300 -0.019 0.000 1.214 108 I CB -0.009 37.904 38.000 -0.145 0.000 1.018 108 I HN 0.132 nan 8.210 nan 0.000 0.439 109 A N 0.016 122.840 122.820 0.007 0.000 2.573 109 A HA 0.813 5.134 4.320 0.001 0.000 0.269 109 A C 0.812 178.518 177.584 0.203 0.000 0.901 109 A CA 0.045 52.165 52.037 0.138 0.000 1.066 109 A CB -0.718 18.402 19.000 0.201 0.000 1.221 109 A HN 0.383 nan 8.150 nan 0.000 0.483 110 G N 0.154 108.974 108.800 0.033 0.000 3.345 110 G HA2 0.240 4.200 3.960 0.001 0.000 0.202 110 G HA3 0.240 4.200 3.960 0.001 0.000 0.202 110 G C 0.749 175.695 174.900 0.077 0.000 1.740 110 G CA 0.309 45.460 45.100 0.085 0.000 0.806 110 G HN 0.190 nan 8.290 nan 0.000 0.718 111 N N 1.314 120.031 118.700 0.028 0.000 2.192 111 N HA -0.149 4.592 4.740 0.001 0.000 0.188 111 N C 2.370 177.864 175.510 -0.026 0.000 1.013 111 N CA 1.447 54.513 53.050 0.026 0.000 0.863 111 N CB -0.513 37.984 38.487 0.017 0.000 0.990 111 N HN 0.614 nan 8.380 nan 0.000 0.430 112 I N -2.567 117.905 120.570 -0.164 0.000 2.399 112 I HA -0.212 3.959 4.170 0.001 0.000 0.254 112 I C 1.278 177.258 176.117 -0.229 0.000 1.146 112 I CA 1.358 62.487 61.300 -0.285 0.000 1.412 112 I CB -0.736 36.972 38.000 -0.487 0.000 1.076 112 I HN -0.191 nan 8.210 nan 0.000 0.432 113 F N 2.352 122.310 119.950 0.013 0.000 2.451 113 F HA 0.092 4.620 4.527 0.001 0.000 0.299 113 F C 2.409 178.313 175.800 0.173 0.000 1.101 113 F CA 1.134 59.192 58.000 0.098 0.000 1.436 113 F CB -0.573 38.455 39.000 0.046 0.000 1.074 113 F HN 0.173 nan 8.300 nan 0.000 0.553 114 G N -1.014 107.916 108.800 0.217 0.000 3.159 114 G HA2 0.199 4.159 3.960 0.001 0.000 0.232 114 G HA3 0.199 4.159 3.960 0.001 0.000 0.232 114 G C 0.587 175.520 174.900 0.055 0.000 1.116 114 G CA -0.324 44.860 45.100 0.140 0.000 0.767 114 G HN 0.054 nan 8.290 nan 0.000 0.547 115 M N 0.733 120.343 119.600 0.016 0.000 2.239 115 M HA 0.171 4.652 4.480 0.001 0.000 0.348 115 M C 1.146 177.419 176.300 -0.044 0.000 1.239 115 M CA 0.229 55.504 55.300 -0.043 0.000 1.114 115 M CB 1.261 33.796 32.600 -0.108 0.000 1.641 115 M HN -0.036 nan 8.290 nan 0.000 0.453 116 K N 1.637 122.000 120.400 -0.061 0.000 2.283 116 K HA -0.059 4.262 4.320 0.001 0.000 0.202 116 K C 1.652 178.183 176.600 -0.114 0.000 1.048 116 K CA 0.957 57.210 56.287 -0.057 0.000 0.948 116 K CB 0.052 32.529 32.500 -0.039 0.000 0.742 116 K HN 0.551 nan 8.250 nan 0.000 0.458 117 R N 1.025 121.392 120.500 -0.222 0.000 2.189 117 R HA -0.035 4.306 4.340 0.001 0.000 0.223 117 R C 0.803 176.971 176.300 -0.220 0.000 1.092 117 R CA 0.673 56.518 56.100 -0.425 0.000 0.989 117 R CB -0.038 29.953 30.300 -0.515 0.000 0.876 117 R HN 0.071 nan 8.270 nan 0.000 0.457 118 V N -1.620 118.232 119.914 -0.104 0.000 2.547 118 V HA 0.277 4.398 4.120 0.001 0.000 0.299 118 V C 0.843 176.957 176.094 0.033 0.000 1.040 118 V CA -0.885 61.409 62.300 -0.010 0.000 0.913 118 V CB 2.179 34.011 31.823 0.016 0.000 0.992 118 V HN -0.064 nan 8.190 nan 0.000 0.449 119 K N 3.225 123.663 120.400 0.063 0.000 2.116 119 K HA 0.338 4.659 4.320 0.001 0.000 0.203 119 K C 0.745 177.380 176.600 0.058 0.000 1.052 119 K CA 1.189 57.505 56.287 0.048 0.000 0.952 119 K CB 0.067 32.596 32.500 0.049 0.000 0.729 119 K HN 1.063 nan 8.250 nan 0.000 0.446 120 G N 0.652 109.548 108.800 0.161 0.000 2.706 120 G HA2 0.524 4.484 3.960 0.001 0.000 0.297 120 G HA3 0.524 4.484 3.960 0.001 0.000 0.297 120 G C -2.291 172.869 174.900 0.433 0.000 1.403 120 G CA -0.645 44.653 45.100 0.330 0.000 0.954 120 G HN 0.085 nan 8.290 nan 0.000 0.500 121 L N 1.031 122.650 121.223 0.659 0.000 2.441 121 L HA 0.799 5.139 4.340 0.001 0.000 0.270 121 L C -0.374 176.753 176.870 0.427 0.000 0.973 121 L CA -0.805 54.282 54.840 0.410 0.000 0.842 121 L CB 1.915 44.110 42.059 0.226 0.000 1.239 121 L HN 0.636 nan 8.230 nan 0.000 0.406 122 R N 4.585 125.334 120.500 0.415 0.000 2.439 122 R HA 0.594 4.935 4.340 0.001 0.000 0.310 122 R C -1.540 174.983 176.300 0.372 0.000 0.955 122 R CA -0.820 55.498 56.100 0.363 0.000 0.853 122 R CB 1.370 31.799 30.300 0.216 0.000 1.171 122 R HN 0.659 nan 8.270 nan 0.000 0.449 123 L N 4.681 126.128 121.223 0.373 0.000 2.385 123 L HA 0.185 4.526 4.340 0.001 0.000 0.281 123 L C 0.416 177.288 176.870 0.002 0.000 1.106 123 L CA 0.734 55.596 54.840 0.038 0.000 0.856 123 L CB 0.851 42.968 42.059 0.096 0.000 1.186 123 L HN 0.802 nan 8.230 nan 0.000 0.453 124 E N 2.330 122.484 120.200 -0.077 0.000 2.166 124 E HA 0.097 4.448 4.350 0.001 0.000 0.192 124 E C -0.196 176.404 176.600 0.000 0.000 0.967 124 E CA 0.436 56.818 56.400 -0.030 0.000 0.840 124 E CB 0.439 30.134 29.700 -0.007 0.000 0.795 124 E HN 0.693 nan 8.360 nan 0.000 0.470 125 D N -0.953 119.422 120.400 -0.042 0.000 2.609 125 D HA 0.388 5.028 4.640 0.001 0.000 0.239 125 D C -1.594 174.689 176.300 -0.028 0.000 1.229 125 D CA -0.519 53.527 54.000 0.076 0.000 0.808 125 D CB 1.596 42.444 40.800 0.080 0.000 1.448 125 D HN -0.145 nan 8.370 nan 0.000 0.433 126 L N 3.015 124.224 121.223 -0.023 0.000 2.446 126 L HA 0.337 4.678 4.340 0.001 0.000 0.268 126 L C -1.335 175.439 176.870 -0.161 0.000 0.975 126 L CA -0.966 53.784 54.840 -0.149 0.000 0.848 126 L CB 1.585 43.423 42.059 -0.368 0.000 1.225 126 L HN 0.438 nan 8.230 nan 0.000 0.410 127 Y N 4.588 124.851 120.300 -0.062 0.000 2.327 127 Y HA 0.477 5.028 4.550 0.001 0.000 0.336 127 Y C -1.091 174.918 175.900 0.183 0.000 1.035 127 Y CA -0.298 57.802 58.100 0.001 0.000 1.165 127 Y CB 0.672 39.194 38.460 0.103 0.000 1.181 127 Y HN 0.253 nan 8.280 nan 0.000 0.494 128 F N 8.081 127.582 119.950 -0.748 0.000 2.427 128 F HA 0.433 4.960 4.527 0.001 0.000 0.346 128 F C -2.084 173.151 175.800 -0.941 0.000 1.120 128 F CA -3.545 54.082 58.000 -0.622 0.000 1.033 128 F CB 1.067 39.842 39.000 -0.376 0.000 1.126 128 F HN 0.448 nan 8.300 nan 0.000 0.462 129 P HA 0.006 nan 4.420 nan 0.000 0.271 129 P C 0.783 178.004 177.300 -0.131 0.000 1.233 129 P CA -0.043 62.971 63.100 -0.142 0.000 0.789 129 P CB 1.033 32.781 31.700 0.080 0.000 0.951 130 E N 1.256 121.423 120.200 -0.054 0.000 2.130 130 E HA -0.269 4.081 4.350 0.001 0.000 0.196 130 E C 1.805 178.245 176.600 -0.267 0.000 0.998 130 E CA 1.532 57.822 56.400 -0.184 0.000 0.806 130 E CB -0.117 29.369 29.700 -0.356 0.000 0.738 130 E HN 0.359 nan 8.360 nan 0.000 0.459 131 K N -0.133 120.097 120.400 -0.284 0.000 2.152 131 K HA -0.177 4.143 4.320 0.001 0.000 0.206 131 K C 2.015 178.423 176.600 -0.321 0.000 1.048 131 K CA 1.093 57.160 56.287 -0.367 0.000 0.933 131 K CB 0.034 32.161 32.500 -0.621 0.000 0.721 131 K HN 0.103 nan 8.250 nan 0.000 0.447 132 L N 0.841 121.891 121.223 -0.288 0.000 2.095 132 L HA -0.088 4.253 4.340 0.001 0.000 0.204 132 L C 2.063 178.944 176.870 0.017 0.000 1.080 132 L CA 0.827 55.517 54.840 -0.250 0.000 0.759 132 L CB -0.335 41.421 42.059 -0.505 0.000 0.914 132 L HN 0.177 nan 8.230 nan 0.000 0.439 133 I N -0.008 120.586 120.570 0.039 0.000 2.151 133 I HA -0.332 3.838 4.170 0.001 0.000 0.243 133 I C 2.317 178.530 176.117 0.160 0.000 1.080 133 I CA 1.599 62.987 61.300 0.146 0.000 1.339 133 I CB -1.028 37.020 38.000 0.079 0.000 1.039 133 I HN 0.347 nan 8.210 nan 0.000 0.409 134 R N 0.559 121.049 120.500 -0.017 0.000 2.339 134 R HA -0.078 4.263 4.340 0.001 0.000 0.199 134 R C 1.466 177.729 176.300 -0.062 0.000 1.018 134 R CA 0.309 56.379 56.100 -0.050 0.000 1.036 134 R CB -0.159 30.052 30.300 -0.147 0.000 0.899 134 R HN 0.510 nan 8.270 nan 0.000 0.473 135 E N -0.319 119.825 120.200 -0.093 0.000 2.502 135 E HA 0.028 4.378 4.350 0.001 0.000 0.194 135 E C -0.534 175.827 176.600 -0.398 0.000 1.062 135 E CA 0.278 56.518 56.400 -0.266 0.000 0.867 135 E CB 0.270 29.733 29.700 -0.394 0.000 0.888 135 E HN 0.088 nan 8.360 nan 0.000 0.510 136 F N -0.575 119.355 119.950 -0.034 0.000 2.556 136 F HA 0.240 4.768 4.527 0.001 0.000 0.327 136 F C 1.109 176.916 175.800 0.012 0.000 1.059 136 F CA -0.914 57.091 58.000 0.008 0.000 0.953 136 F CB 1.497 40.526 39.000 0.048 0.000 1.227 136 F HN -0.235 nan 8.300 nan 0.000 0.478 137 D N 0.362 120.899 120.400 0.227 0.000 2.379 137 D HA 0.239 4.880 4.640 0.001 0.000 0.218 137 D C 1.154 177.529 176.300 0.126 0.000 1.006 137 D CA 1.267 55.342 54.000 0.125 0.000 0.893 137 D CB 0.383 41.226 40.800 0.071 0.000 1.019 137 D HN 0.734 nan 8.370 nan 0.000 0.503 138 G N 1.455 110.352 108.800 0.162 0.000 2.741 138 G HA2 -0.214 3.747 3.960 0.001 0.000 0.222 138 G HA3 -0.214 3.747 3.960 0.001 0.000 0.222 138 G C -2.655 172.288 174.900 0.072 0.000 1.364 138 G CA -0.986 44.177 45.100 0.106 0.000 0.866 138 G HN -0.014 nan 8.290 nan 0.000 0.555 139 P HA 0.397 nan 4.420 nan 0.000 0.264 139 P C 0.773 178.097 177.300 0.041 0.000 1.193 139 P CA 0.937 64.070 63.100 0.054 0.000 0.763 139 P CB 0.936 32.657 31.700 0.034 0.000 0.810 140 A N 2.477 125.333 122.820 0.060 0.000 2.016 140 A HA -0.043 4.278 4.320 0.001 0.000 0.217 140 A C 1.284 178.739 177.584 -0.216 0.000 1.162 140 A CA 1.342 53.337 52.037 -0.070 0.000 0.662 140 A CB -0.988 17.970 19.000 -0.071 0.000 0.812 140 A HN 0.509 nan 8.150 nan 0.000 0.450 141 F N -1.205 118.730 119.950 -0.025 0.000 2.480 141 F HA 0.422 4.950 4.527 0.001 0.000 0.280 141 F C 1.749 177.535 175.800 -0.024 0.000 1.002 141 F CA 0.651 58.638 58.000 -0.021 0.000 1.325 141 F CB -0.496 38.489 39.000 -0.025 0.000 1.134 141 F HN 0.434 nan 8.300 nan 0.000 0.646 142 G N 1.314 110.223 108.800 0.182 0.000 2.752 142 G HA2 -0.290 3.671 3.960 0.001 0.000 0.234 142 G HA3 -0.290 3.671 3.960 0.001 0.000 0.234 142 G C 0.697 175.603 174.900 0.010 0.000 1.367 142 G CA -0.047 45.080 45.100 0.046 0.000 0.879 142 G HN 0.255 nan 8.290 nan 0.000 0.563 143 I N 0.596 121.043 120.570 -0.206 0.000 2.163 143 I HA -0.113 4.058 4.170 0.001 0.000 0.243 143 I C 3.340 179.348 176.117 -0.181 0.000 1.085 143 I CA 2.909 63.904 61.300 -0.509 0.000 1.347 143 I CB -0.839 36.678 38.000 -0.805 0.000 1.044 143 I HN 0.932 nan 8.210 nan 0.000 0.408 144 E N 1.084 121.223 120.200 -0.101 0.000 2.058 144 E HA -0.180 4.171 4.350 0.001 0.000 0.194 144 E C 2.317 178.958 176.600 0.068 0.000 0.997 144 E CA 1.536 57.925 56.400 -0.018 0.000 0.801 144 E CB -1.636 28.050 29.700 -0.024 0.000 0.746 144 E HN 0.638 nan 8.360 nan 0.000 0.450 145 G N 0.049 108.921 108.800 0.119 0.000 2.418 145 G HA2 -0.112 3.849 3.960 0.001 0.000 0.217 145 G HA3 -0.112 3.849 3.960 0.001 0.000 0.217 145 G C 1.957 177.033 174.900 0.293 0.000 1.158 145 G CA 1.341 46.590 45.100 0.247 0.000 0.771 145 G HN 0.461 nan 8.290 nan 0.000 0.545 146 V N 0.504 120.575 119.914 0.261 0.000 2.379 146 V HA -0.101 4.019 4.120 0.001 0.000 0.245 146 V C 2.892 179.143 176.094 0.262 0.000 1.044 146 V CA 1.688 64.143 62.300 0.258 0.000 1.036 146 V CB -0.424 31.625 31.823 0.375 0.000 0.664 146 V HN 0.293 nan 8.190 nan 0.000 0.453 147 R N 0.134 120.792 120.500 0.264 0.000 2.096 147 R HA -0.182 4.158 4.340 0.001 0.000 0.235 147 R C 2.414 178.804 176.300 0.149 0.000 1.127 147 R CA 1.619 57.847 56.100 0.215 0.000 0.968 147 R CB -0.302 30.101 30.300 0.172 0.000 0.861 147 R HN 0.490 nan 8.270 nan 0.000 0.440 148 K N 1.121 121.603 120.400 0.136 0.000 2.025 148 K HA -0.141 4.179 4.320 0.001 0.000 0.207 148 K C 2.196 178.870 176.600 0.123 0.000 1.049 148 K CA 1.363 57.719 56.287 0.114 0.000 0.933 148 K CB -0.094 32.469 32.500 0.105 0.000 0.714 148 K HN 0.067 nan 8.250 nan 0.000 0.438 149 M N 0.721 120.412 119.600 0.151 0.000 2.082 149 M HA -0.192 4.289 4.480 0.001 0.000 0.258 149 M C 1.411 177.782 176.300 0.120 0.000 1.069 149 M CA 1.744 57.127 55.300 0.137 0.000 1.102 149 M CB -0.016 32.657 32.600 0.122 0.000 1.336 149 M HN 0.232 nan 8.290 nan 0.000 0.404 150 L N -0.185 121.117 121.223 0.132 0.000 2.592 150 L HA 0.127 4.467 4.340 0.001 0.000 0.227 150 L C 0.176 177.102 176.870 0.093 0.000 1.127 150 L CA 0.033 54.942 54.840 0.115 0.000 0.884 150 L CB -0.177 41.959 42.059 0.130 0.000 1.065 150 L HN 0.366 nan 8.230 nan 0.000 0.457 151 E N 0.876 121.132 120.200 0.094 0.000 2.360 151 E HA -0.223 4.128 4.350 0.001 0.000 0.238 151 E C -0.273 176.372 176.600 0.074 0.000 1.186 151 E CA 0.331 56.776 56.400 0.076 0.000 0.719 151 E CB -1.451 28.285 29.700 0.060 0.000 1.236 151 E HN 0.478 nan 8.360 nan 0.000 0.386 152 I N 0.637 121.262 120.570 0.092 0.000 2.382 152 I HA 0.151 4.321 4.170 0.001 0.000 0.285 152 I C 1.302 177.478 176.117 0.099 0.000 1.007 152 I CA -0.492 60.862 61.300 0.090 0.000 1.142 152 I CB 1.385 39.446 38.000 0.101 0.000 1.289 152 I HN -0.001 nan 8.210 nan 0.000 0.453 153 K N 3.761 124.206 120.400 0.074 0.000 2.067 153 K HA -0.036 4.285 4.320 0.001 0.000 0.203 153 K C 0.572 177.212 176.600 0.066 0.000 1.048 153 K CA 1.366 57.691 56.287 0.064 0.000 0.954 153 K CB 0.433 32.960 32.500 0.045 0.000 0.737 153 K HN 0.628 nan 8.250 nan 0.000 0.444 154 D N -0.557 119.880 120.400 0.062 0.000 2.434 154 D HA -0.008 4.632 4.640 0.001 0.000 0.288 154 D C 0.188 176.528 176.300 0.066 0.000 1.083 154 D CA -0.016 54.017 54.000 0.055 0.000 0.903 154 D CB 0.270 41.090 40.800 0.032 0.000 1.476 154 D HN 0.212 nan 8.370 nan 0.000 0.502 155 R N 2.537 123.072 120.500 0.059 0.000 2.641 155 R HA 0.341 4.682 4.340 0.001 0.000 0.269 155 R C -2.514 173.834 176.300 0.079 0.000 1.074 155 R CA -1.093 55.036 56.100 0.048 0.000 1.133 155 R CB -0.484 29.830 30.300 0.023 0.000 1.029 155 R HN -0.182 nan 8.270 nan 0.000 0.488 156 P HA -0.053 nan 4.420 nan 0.000 0.266 156 P C -0.173 177.157 177.300 0.049 0.000 1.193 156 P CA 0.057 63.196 63.100 0.063 0.000 0.770 156 P CB 0.334 32.052 31.700 0.030 0.000 0.836 157 I N 2.301 122.865 120.570 -0.010 0.000 2.519 157 I HA 0.159 4.330 4.170 0.001 0.000 0.287 157 I C 0.277 176.478 176.117 0.140 0.000 1.047 157 I CA -0.287 61.031 61.300 0.029 0.000 1.381 157 I CB -0.548 37.395 38.000 -0.094 0.000 1.417 157 I HN 0.425 nan 8.210 nan 0.000 0.540 158 Y N 4.128 124.419 120.300 -0.015 0.000 2.406 158 Y HA 0.755 5.305 4.550 0.001 0.000 0.340 158 Y C -0.356 175.213 175.900 -0.552 0.000 0.975 158 Y CA -0.802 57.207 58.100 -0.152 0.000 1.056 158 Y CB 1.821 40.188 38.460 -0.154 0.000 1.210 158 Y HN 0.707 nan 8.280 nan 0.000 0.448 159 G N 2.773 110.644 108.800 -1.548 0.000 2.682 159 G HA2 0.619 4.580 3.960 0.001 0.000 0.290 159 G HA3 0.619 4.580 3.960 0.001 0.000 0.290 159 G C -2.408 171.701 174.900 -1.318 0.000 1.425 159 G CA -0.943 42.601 45.100 -2.594 0.000 0.807 159 G HN 0.663 nan 8.290 nan 0.000 0.482 160 V N 0.034 119.400 119.914 -0.914 0.000 2.623 160 V HA 0.492 4.612 4.120 0.001 0.000 0.304 160 V C -0.346 175.659 176.094 -0.148 0.000 1.054 160 V CA -0.736 61.334 62.300 -0.383 0.000 0.882 160 V CB 1.715 33.340 31.823 -0.330 0.000 1.002 160 V HN 0.619 nan 8.190 nan 0.000 0.424 161 V N 6.803 126.703 119.914 -0.023 0.000 2.432 161 V HA 0.338 4.459 4.120 0.001 0.000 0.275 161 V C -2.207 173.901 176.094 0.024 0.000 1.043 161 V CA -1.896 60.438 62.300 0.056 0.000 0.925 161 V CB 1.695 33.585 31.823 0.111 0.000 0.985 161 V HN 0.736 nan 8.190 nan 0.000 0.466 162 P HA 0.169 nan 4.420 nan 0.000 0.267 162 P C -0.721 176.547 177.300 -0.054 0.000 1.205 162 P CA 0.002 63.039 63.100 -0.106 0.000 0.765 162 P CB 0.390 31.890 31.700 -0.334 0.000 0.828 163 K N 3.794 124.160 120.400 -0.057 0.000 2.324 163 K HA 0.444 4.764 4.320 0.001 0.000 0.253 163 K C -2.351 174.244 176.600 -0.010 0.000 0.932 163 K CA -2.125 54.168 56.287 0.009 0.000 0.799 163 K CB 0.912 33.430 32.500 0.029 0.000 1.154 163 K HN 0.327 nan 8.250 nan 0.000 0.425 164 P HA 0.079 nan 4.420 nan 0.000 0.267 164 P C 0.330 177.738 177.300 0.180 0.000 1.200 164 P CA -0.077 63.083 63.100 0.100 0.000 0.772 164 P CB 0.902 32.661 31.700 0.098 0.000 0.855 165 K N 0.562 121.040 120.400 0.131 0.000 2.015 165 K HA -0.110 4.210 4.320 0.001 0.000 0.216 165 K C 1.103 177.822 176.600 0.198 0.000 1.052 165 K CA 1.816 58.190 56.287 0.145 0.000 0.937 165 K CB -0.508 32.038 32.500 0.076 0.000 0.719 165 K HN 0.543 nan 8.250 nan 0.000 0.446 166 V N -5.539 114.434 119.914 0.097 0.000 3.102 166 V HA 0.791 4.912 4.120 0.001 0.000 0.312 166 V C 0.338 176.346 176.094 -0.144 0.000 1.135 166 V CA -0.320 61.960 62.300 -0.032 0.000 1.022 166 V CB 1.668 33.486 31.823 -0.008 0.000 1.056 166 V HN 0.470 nan 8.190 nan 0.000 0.436 167 G N 0.688 109.233 108.800 -0.425 0.000 2.183 167 G HA2 -0.114 3.846 3.960 0.001 0.000 0.168 167 G HA3 -0.114 3.846 3.960 0.001 0.000 0.168 167 G C -0.383 174.388 174.900 -0.216 0.000 1.008 167 G CA 0.097 44.908 45.100 -0.481 0.000 0.677 167 G HN 2.090 nan 8.290 nan 0.000 0.498 168 Y N 1.264 121.496 120.300 -0.113 0.000 2.496 168 Y HA 0.839 5.390 4.550 0.001 0.000 0.331 168 Y C 0.479 176.391 175.900 0.019 0.000 1.140 168 Y CA -0.963 57.120 58.100 -0.027 0.000 1.166 168 Y CB 1.167 39.641 38.460 0.023 0.000 1.249 168 Y HN 0.467 nan 8.280 nan 0.000 0.479 169 S N 0.197 115.999 115.700 0.170 0.000 2.687 169 S HA 0.457 4.928 4.470 0.001 0.000 0.283 169 S C -2.237 172.477 174.600 0.189 0.000 1.170 169 S CA -1.484 56.775 58.200 0.098 0.000 1.008 169 S CB 1.709 64.965 63.200 0.092 0.000 1.026 169 S HN 0.562 nan 8.310 nan 0.000 0.541 170 P HA -0.052 nan 4.420 nan 0.000 0.216 170 P C 0.862 178.276 177.300 0.190 0.000 1.150 170 P CA 1.219 64.414 63.100 0.158 0.000 0.837 170 P CB -0.013 31.717 31.700 0.050 0.000 0.786 171 E N -0.151 120.118 120.200 0.115 0.000 2.106 171 E HA -0.166 4.185 4.350 0.001 0.000 0.192 171 E C 1.931 178.575 176.600 0.074 0.000 0.984 171 E CA 1.125 57.567 56.400 0.070 0.000 0.806 171 E CB -0.686 29.043 29.700 0.047 0.000 0.750 171 E HN 0.407 nan 8.360 nan 0.000 0.458 172 E N -0.254 120.021 120.200 0.125 0.000 2.106 172 E HA -0.144 4.206 4.350 0.001 0.000 0.192 172 E C 1.690 178.358 176.600 0.114 0.000 0.984 172 E CA 0.718 57.185 56.400 0.110 0.000 0.806 172 E CB -0.178 29.610 29.700 0.147 0.000 0.750 172 E HN 0.223 nan 8.360 nan 0.000 0.458 173 F N 2.220 122.206 119.950 0.060 0.000 2.171 173 F HA -0.175 4.353 4.527 0.001 0.000 0.300 173 F C 2.159 177.922 175.800 -0.062 0.000 1.090 173 F CA 1.691 59.691 58.000 0.001 0.000 1.293 173 F CB -0.079 39.001 39.000 0.132 0.000 1.013 173 F HN -0.063 nan 8.300 nan 0.000 0.486 174 E N 0.522 120.598 120.200 -0.208 0.000 2.058 174 E HA -0.326 4.024 4.350 0.001 0.000 0.194 174 E C 2.360 178.789 176.600 -0.284 0.000 0.997 174 E CA 1.790 57.995 56.400 -0.324 0.000 0.801 174 E CB -0.312 29.300 29.700 -0.146 0.000 0.746 174 E HN 0.505 nan 8.360 nan 0.000 0.450 175 K N 0.114 120.413 120.400 -0.170 0.000 2.057 175 K HA -0.179 4.141 4.320 0.001 0.000 0.206 175 K C 2.321 178.857 176.600 -0.106 0.000 1.050 175 K CA 1.205 57.431 56.287 -0.102 0.000 0.935 175 K CB -0.211 32.250 32.500 -0.064 0.000 0.715 175 K HN 0.170 nan 8.250 nan 0.000 0.439 176 L N 1.094 122.210 121.223 -0.178 0.000 2.017 176 L HA -0.098 4.242 4.340 0.001 0.000 0.208 176 L C 2.248 178.960 176.870 -0.263 0.000 1.073 176 L CA 2.155 56.881 54.840 -0.190 0.000 0.745 176 L CB -0.774 41.172 42.059 -0.188 0.000 0.894 176 L HN 0.255 nan 8.230 nan 0.000 0.432 177 A N -1.367 121.175 122.820 -0.464 0.000 1.908 177 A HA -0.305 4.015 4.320 0.001 0.000 0.218 177 A C 2.314 179.730 177.584 -0.281 0.000 1.181 177 A CA 1.957 53.699 52.037 -0.492 0.000 0.627 177 A CB -1.266 17.199 19.000 -0.892 0.000 0.818 177 A HN 0.666 nan 8.150 nan 0.000 0.445 178 Y N 1.169 121.279 120.300 -0.317 0.000 2.145 178 Y HA -0.218 4.333 4.550 0.001 0.000 0.286 178 Y C 1.856 177.655 175.900 -0.169 0.000 1.145 178 Y CA 2.109 60.080 58.100 -0.216 0.000 1.148 178 Y CB -0.221 38.129 38.460 -0.184 0.000 0.981 178 Y HN 0.353 nan 8.280 nan 0.000 0.507 179 D N 0.134 120.430 120.400 -0.173 0.000 2.144 179 D HA -0.168 4.473 4.640 0.001 0.000 0.200 179 D C 2.327 178.482 176.300 -0.241 0.000 0.978 179 D CA 1.472 55.342 54.000 -0.217 0.000 0.833 179 D CB -0.365 40.384 40.800 -0.084 0.000 0.961 179 D HN 0.407 nan 8.370 nan 0.000 0.470 180 L N 0.130 121.221 121.223 -0.220 0.000 2.044 180 L HA -0.073 4.268 4.340 0.001 0.000 0.205 180 L C 2.502 179.230 176.870 -0.238 0.000 1.075 180 L CA 0.633 55.349 54.840 -0.208 0.000 0.747 180 L CB -0.309 41.620 42.059 -0.217 0.000 0.903 180 L HN 0.025 nan 8.230 nan 0.000 0.435 181 L N -1.095 119.965 121.223 -0.271 0.000 2.141 181 L HA -0.142 4.199 4.340 0.001 0.000 0.209 181 L C 2.532 179.250 176.870 -0.253 0.000 1.094 181 L CA 0.766 55.455 54.840 -0.251 0.000 0.763 181 L CB -0.420 41.505 42.059 -0.224 0.000 0.908 181 L HN 0.175 nan 8.230 nan 0.000 0.437 182 S N -0.418 115.068 115.700 -0.356 0.000 2.481 182 S HA -0.027 4.444 4.470 0.001 0.000 0.231 182 S C 1.304 175.771 174.600 -0.222 0.000 0.996 182 S CA 0.691 58.675 58.200 -0.361 0.000 0.942 182 S CB -0.118 62.711 63.200 -0.618 0.000 0.768 182 S HN 0.442 nan 8.310 nan 0.000 0.520 183 N N -0.088 118.502 118.700 -0.184 0.000 2.282 183 N HA 0.241 4.982 4.740 0.001 0.000 0.240 183 N C 0.850 176.323 175.510 -0.062 0.000 1.182 183 N CA 0.579 53.560 53.050 -0.116 0.000 0.874 183 N CB 1.425 39.845 38.487 -0.113 0.000 1.126 183 N HN 0.479 nan 8.380 nan 0.000 0.516 184 G N 0.185 108.951 108.800 -0.056 0.000 2.421 184 G HA2 -0.166 3.794 3.960 0.001 0.000 0.188 184 G HA3 -0.166 3.794 3.960 0.001 0.000 0.188 184 G C 0.184 175.112 174.900 0.046 0.000 1.001 184 G CA -0.070 45.039 45.100 0.014 0.000 0.693 184 G HN 0.432 nan 8.290 nan 0.000 0.479 185 A N 0.902 123.668 122.820 -0.090 0.000 2.488 185 A HA 0.523 4.843 4.320 0.001 0.000 0.249 185 A C 1.108 178.497 177.584 -0.325 0.000 1.083 185 A CA 0.865 52.664 52.037 -0.398 0.000 0.768 185 A CB 0.261 18.940 19.000 -0.534 0.000 1.017 185 A HN 0.191 nan 8.150 nan 0.000 0.496 186 D N 0.111 120.290 120.400 -0.367 0.000 2.249 186 D HA 0.081 4.722 4.640 0.001 0.000 0.205 186 D C -0.028 176.174 176.300 -0.164 0.000 0.962 186 D CA 1.834 55.732 54.000 -0.170 0.000 0.860 186 D CB 0.029 40.815 40.800 -0.023 0.000 0.955 186 D HN 0.735 nan 8.370 nan 0.000 0.505 187 Y N -1.877 118.172 120.300 -0.418 0.000 2.581 187 Y HA 0.509 5.059 4.550 0.001 0.000 0.337 187 Y C -0.763 174.855 175.900 -0.469 0.000 1.108 187 Y CA -1.452 56.352 58.100 -0.493 0.000 1.033 187 Y CB 0.679 38.618 38.460 -0.867 0.000 1.318 187 Y HN -0.398 nan 8.280 nan 0.000 0.459 191 D N 1.000 121.452 120.400 0.088 0.000 2.362 191 D HA 0.023 4.664 4.640 0.001 0.000 0.242 191 D C 1.450 177.703 176.300 -0.078 0.000 1.132 191 D CA -0.052 53.967 54.000 0.032 0.000 0.907 191 D CB 1.088 41.926 40.800 0.063 0.000 1.195 191 D HN 0.370 nan 8.370 nan 0.000 0.429 192 E N 2.351 122.402 120.200 -0.249 0.000 2.267 192 E HA -0.235 4.116 4.350 0.001 0.000 0.197 192 E C 0.595 177.072 176.600 -0.206 0.000 0.998 192 E CA 1.050 57.198 56.400 -0.420 0.000 0.830 192 E CB -0.273 28.828 29.700 -0.998 0.000 0.751 192 E HN 0.487 nan 8.360 nan 0.000 0.491 193 N N 0.816 119.445 118.700 -0.117 0.000 2.236 193 N HA 0.018 4.758 4.740 0.001 0.000 0.196 193 N C 0.216 175.704 175.510 -0.038 0.000 1.114 193 N CA -0.324 52.689 53.050 -0.063 0.000 0.859 193 N CB -0.183 38.283 38.487 -0.034 0.000 0.982 193 N HN 0.102 nan 8.380 nan 0.000 0.493 194 L N 2.135 123.337 121.223 -0.035 0.000 2.278 194 L HA 0.380 4.720 4.340 0.001 0.000 0.287 194 L C 0.737 177.587 176.870 -0.033 0.000 1.072 194 L CA 0.124 54.940 54.840 -0.040 0.000 0.819 194 L CB 0.684 42.728 42.059 -0.026 0.000 1.176 194 L HN 0.304 nan 8.230 nan 0.000 0.435 195 T N -0.108 114.410 114.554 -0.061 0.000 1.944 195 T HA 0.282 4.633 4.350 0.001 0.000 0.177 195 T C 0.402 175.092 174.700 -0.017 0.000 0.694 195 T CA 0.219 62.304 62.100 -0.026 0.000 1.337 195 T CB 0.183 69.019 68.868 -0.053 0.000 3.196 195 T HN 0.325 nan 8.240 nan 0.000 0.405 196 S N 3.085 118.743 115.700 -0.069 0.000 2.327 196 S HA 0.450 4.921 4.470 0.001 0.000 0.203 196 S C -2.645 171.849 174.600 -0.177 0.000 1.326 196 S CA -1.306 56.850 58.200 -0.073 0.000 1.248 196 S CB -0.155 63.053 63.200 0.012 0.000 1.199 196 S HN 0.513 nan 8.310 nan 0.000 0.422 197 P HA 0.167 nan 4.420 nan 0.000 0.274 197 P C 1.544 178.514 177.300 -0.550 0.000 1.256 197 P CA -0.679 62.101 63.100 -0.534 0.000 0.795 197 P CB 0.294 31.343 31.700 -1.086 0.000 1.038 198 W N 1.720 122.836 121.300 -0.307 0.000 2.342 198 W HA -0.233 4.427 4.660 0.001 0.000 0.297 198 W C 1.472 177.911 176.519 -0.132 0.000 1.213 198 W CA 1.230 58.488 57.345 -0.145 0.000 1.251 198 W CB -2.026 27.420 29.460 -0.024 0.000 1.136 198 W HN 0.389 nan 8.180 nan 0.000 0.526 199 Y N 0.224 119.945 120.300 -0.965 0.000 2.546 199 Y HA 0.324 4.875 4.550 0.001 0.000 0.287 199 Y C 0.565 176.191 175.900 -0.458 0.000 1.158 199 Y CA 0.532 58.083 58.100 -0.915 0.000 1.307 199 Y CB -0.948 36.611 38.460 -1.501 0.000 1.036 199 Y HN -0.113 nan 8.280 nan 0.000 0.532 200 N N 1.249 119.574 118.700 -0.625 0.000 2.969 200 N HA 0.104 4.844 4.740 0.001 0.000 0.230 200 N C -1.523 173.805 175.510 -0.303 0.000 1.397 200 N CA -0.270 52.553 53.050 -0.380 0.000 0.762 200 N CB 0.706 38.950 38.487 -0.406 0.000 1.495 200 N HN 0.058 nan 8.380 nan 0.000 0.583 201 R N 1.685 122.089 120.500 -0.160 0.000 2.491 201 R HA 0.130 4.470 4.340 0.001 0.000 0.283 201 R C 1.325 177.637 176.300 0.020 0.000 1.072 201 R CA -0.371 55.697 56.100 -0.054 0.000 1.048 201 R CB 0.180 30.479 30.300 -0.001 0.000 0.983 201 R HN 0.476 nan 8.270 nan 0.000 0.450 202 F N 2.832 122.756 119.950 -0.043 0.000 2.043 202 F HA -0.258 4.270 4.527 0.001 0.000 0.297 202 F C 1.807 177.657 175.800 0.085 0.000 1.121 202 F CA 1.911 59.935 58.000 0.040 0.000 1.199 202 F CB 0.164 39.182 39.000 0.029 0.000 0.968 202 F HN 0.612 nan 8.300 nan 0.000 0.478 203 E N -0.149 120.225 120.200 0.289 0.000 2.160 203 E HA -0.252 4.099 4.350 0.001 0.000 0.195 203 E C 2.070 178.687 176.600 0.028 0.000 0.991 203 E CA 1.650 58.153 56.400 0.171 0.000 0.810 203 E CB -0.287 29.508 29.700 0.158 0.000 0.742 203 E HN 0.646 nan 8.360 nan 0.000 0.466 204 E N 0.493 120.694 120.200 0.002 0.000 2.047 204 E HA -0.184 4.166 4.350 0.001 0.000 0.191 204 E C 2.215 178.762 176.600 -0.089 0.000 0.987 204 E CA 1.087 57.469 56.400 -0.031 0.000 0.799 204 E CB -0.153 29.536 29.700 -0.017 0.000 0.752 204 E HN 0.252 nan 8.360 nan 0.000 0.449 205 R N 0.869 121.275 120.500 -0.157 0.000 2.235 205 R HA 0.108 4.449 4.340 0.001 0.000 0.213 205 R C 2.123 178.113 176.300 -0.516 0.000 1.059 205 R CA 0.958 56.897 56.100 -0.269 0.000 0.997 205 R CB -0.182 29.872 30.300 -0.411 0.000 0.884 205 R HN 0.041 nan 8.270 nan 0.000 0.462 206 A N 2.155 124.743 122.820 -0.387 0.000 1.855 206 A HA -0.147 4.173 4.320 0.001 0.000 0.215 206 A C 1.931 179.415 177.584 -0.167 0.000 1.191 206 A CA 1.416 53.288 52.037 -0.275 0.000 0.613 206 A CB -0.366 18.619 19.000 -0.025 0.000 0.829 206 A HN 0.483 nan 8.150 nan 0.000 0.442 207 E N -0.302 119.840 120.200 -0.096 0.000 2.110 207 E HA -0.154 4.197 4.350 0.001 0.000 0.193 207 E C 1.862 178.406 176.600 -0.093 0.000 0.988 207 E CA 1.164 57.528 56.400 -0.059 0.000 0.804 207 E CB -0.298 29.384 29.700 -0.030 0.000 0.745 207 E HN 0.695 nan 8.360 nan 0.000 0.458 208 I N 0.494 120.986 120.570 -0.130 0.000 2.202 208 I HA -0.266 3.905 4.170 0.001 0.000 0.242 208 I C 2.381 178.385 176.117 -0.189 0.000 1.091 208 I CA 0.761 61.982 61.300 -0.131 0.000 1.368 208 I CB -0.132 37.821 38.000 -0.079 0.000 1.058 208 I HN 0.181 nan 8.210 nan 0.000 0.410 209 M N 0.337 119.750 119.600 -0.311 0.000 2.132 209 M HA -0.129 4.352 4.480 0.001 0.000 0.263 209 M C 2.622 178.836 176.300 -0.144 0.000 1.065 209 M CA 1.834 56.929 55.300 -0.341 0.000 1.122 209 M CB -1.407 30.751 32.600 -0.737 0.000 1.365 209 M HN 0.284 nan 8.290 nan 0.000 0.411 210 A N 0.833 123.601 122.820 -0.085 0.000 1.892 210 A HA -0.239 4.082 4.320 0.001 0.000 0.218 210 A C 2.521 180.091 177.584 -0.024 0.000 1.188 210 A CA 3.331 55.362 52.037 -0.010 0.000 0.631 210 A CB -1.130 17.876 19.000 0.010 0.000 0.822 210 A HN 0.490 nan 8.150 nan 0.000 0.447 211 K N -0.328 120.043 120.400 -0.049 0.000 2.026 211 K HA -0.042 4.279 4.320 0.001 0.000 0.208 211 K C 1.810 178.384 176.600 -0.044 0.000 1.048 211 K CA 1.699 57.959 56.287 -0.046 0.000 0.929 211 K CB -0.973 31.490 32.500 -0.061 0.000 0.713 211 K HN 0.411 nan 8.250 nan 0.000 0.439 212 I N 1.046 121.575 120.570 -0.069 0.000 2.226 212 I HA -0.154 4.016 4.170 0.001 0.000 0.245 212 I C 2.546 178.656 176.117 -0.010 0.000 1.100 212 I CA 1.058 62.333 61.300 -0.041 0.000 1.374 212 I CB -0.890 37.046 38.000 -0.106 0.000 1.057 212 I HN 0.279 nan 8.210 nan 0.000 0.413 213 I N 0.699 121.253 120.570 -0.026 0.000 2.163 213 I HA -0.326 3.845 4.170 0.001 0.000 0.243 213 I C 2.214 178.338 176.117 0.013 0.000 1.085 213 I CA 1.483 62.782 61.300 -0.001 0.000 1.347 213 I CB -0.469 37.548 38.000 0.028 0.000 1.044 213 I HN 0.185 nan 8.210 nan 0.000 0.408 214 D N 0.827 121.235 120.400 0.013 0.000 2.116 214 D HA -0.235 4.405 4.640 0.001 0.000 0.193 214 D C 2.076 178.388 176.300 0.020 0.000 0.998 214 D CA 1.357 55.367 54.000 0.017 0.000 0.836 214 D CB -0.227 40.579 40.800 0.011 0.000 0.951 214 D HN 0.275 nan 8.370 nan 0.000 0.449 215 K N 0.539 120.953 120.400 0.024 0.000 2.026 215 K HA -0.105 4.215 4.320 0.001 0.000 0.208 215 K C 2.017 178.661 176.600 0.073 0.000 1.048 215 K CA 0.954 57.269 56.287 0.047 0.000 0.929 215 K CB -0.031 32.501 32.500 0.053 0.000 0.713 215 K HN -0.059 nan 8.250 nan 0.000 0.439 216 V N 1.821 121.775 119.914 0.066 0.000 2.358 216 V HA -0.205 3.916 4.120 0.001 0.000 0.246 216 V C 2.033 178.124 176.094 -0.006 0.000 1.047 216 V CA 1.904 64.211 62.300 0.012 0.000 1.035 216 V CB -0.456 31.331 31.823 -0.061 0.000 0.658 216 V HN 0.391 nan 8.190 nan 0.000 0.452 217 E N 0.385 120.587 120.200 0.003 0.000 2.077 217 E HA -0.272 4.079 4.350 0.001 0.000 0.193 217 E C 2.096 178.703 176.600 0.011 0.000 0.989 217 E CA 1.544 57.948 56.400 0.006 0.000 0.800 217 E CB -0.286 29.424 29.700 0.017 0.000 0.746 217 E HN 0.643 nan 8.360 nan 0.000 0.452 218 N N 1.092 119.802 118.700 0.017 0.000 2.120 218 N HA -0.189 4.551 4.740 0.001 0.000 0.188 218 N C 1.472 176.991 175.510 0.016 0.000 1.024 218 N CA 1.463 54.523 53.050 0.017 0.000 0.852 218 N CB 0.119 38.618 38.487 0.019 0.000 1.003 218 N HN 0.156 nan 8.380 nan 0.000 0.424 219 E N -1.665 118.547 120.200 0.019 0.000 2.230 219 E HA -0.039 4.312 4.350 0.001 0.000 0.192 219 E C 1.429 178.028 176.600 -0.001 0.000 0.987 219 E CA 1.416 57.826 56.400 0.017 0.000 0.841 219 E CB 0.109 29.832 29.700 0.040 0.000 0.783 219 E HN 0.617 nan 8.360 nan 0.000 0.481 220 T N -3.854 110.693 114.554 -0.011 0.000 2.990 220 T HA 0.242 4.593 4.350 0.001 0.000 0.249 220 T C 1.615 176.310 174.700 -0.008 0.000 1.039 220 T CA 0.390 62.477 62.100 -0.021 0.000 1.036 220 T CB 0.691 69.534 68.868 -0.043 0.000 0.994 220 T HN 0.201 nan 8.240 nan 0.000 0.489 221 G N 1.308 110.107 108.800 -0.001 0.000 2.153 221 G HA2 -0.220 3.741 3.960 0.001 0.000 0.252 221 G HA3 -0.220 3.741 3.960 0.001 0.000 0.252 221 G C -0.309 174.596 174.900 0.008 0.000 0.994 221 G CA 0.283 45.387 45.100 0.007 0.000 0.698 221 G HN 0.684 nan 8.290 nan 0.000 0.521 222 E N 0.060 120.261 120.200 0.002 0.000 2.212 222 E HA 0.452 4.803 4.350 0.001 0.000 0.268 222 E C -0.098 176.507 176.600 0.010 0.000 0.902 222 E CA -1.077 55.326 56.400 0.005 0.000 0.779 222 E CB 1.131 30.827 29.700 -0.007 0.000 1.172 222 E HN -0.016 nan 8.360 nan 0.000 0.409 223 K N 2.814 123.229 120.400 0.025 0.000 2.322 223 K HA 0.268 4.589 4.320 0.001 0.000 0.283 223 K C -0.208 176.410 176.600 0.031 0.000 1.042 223 K CA -0.146 56.164 56.287 0.038 0.000 0.958 223 K CB 0.513 33.048 32.500 0.059 0.000 0.984 223 K HN 0.276 nan 8.250 nan 0.000 0.473 224 K N 0.894 121.313 120.400 0.032 0.000 2.350 224 K HA 0.548 4.869 4.320 0.001 0.000 0.241 224 K C 0.014 176.653 176.600 0.066 0.000 0.994 224 K CA -0.683 55.616 56.287 0.020 0.000 0.839 224 K CB 2.238 34.727 32.500 -0.017 0.000 1.244 224 K HN 0.622 nan 8.250 nan 0.000 0.443 225 T N -0.643 113.950 114.554 0.065 0.000 2.731 225 T HA 0.612 4.962 4.350 0.001 0.000 0.300 225 T C -2.097 172.681 174.700 0.130 0.000 1.283 225 T CA -0.580 61.600 62.100 0.133 0.000 1.005 225 T CB 0.845 69.834 68.868 0.201 0.000 1.420 225 T HN 0.534 nan 8.240 nan 0.000 0.503 226 W N 2.838 124.117 121.300 -0.035 0.000 2.968 226 W HA 0.633 5.294 4.660 0.001 0.000 0.337 226 W C -2.245 174.332 176.519 0.096 0.000 1.060 226 W CA -1.816 55.493 57.345 -0.059 0.000 1.240 226 W CB 0.795 30.266 29.460 0.020 0.000 1.370 226 W HN 0.409 nan 8.180 nan 0.000 0.459 227 F N 5.895 125.600 119.950 -0.410 0.000 2.464 227 F HA 0.512 5.039 4.527 0.001 0.000 0.353 227 F C 0.883 176.186 175.800 -0.829 0.000 1.191 227 F CA -1.397 56.265 58.000 -0.564 0.000 1.147 227 F CB -0.443 38.227 39.000 -0.550 0.000 1.294 227 F HN 0.452 nan 8.300 nan 0.000 0.583 228 A N 3.169 125.430 122.820 -0.932 0.000 2.302 228 A HA 0.308 4.628 4.320 0.001 0.000 0.295 228 A C 0.368 177.814 177.584 -0.230 0.000 1.235 228 A CA -0.625 50.727 52.037 -1.142 0.000 0.876 228 A CB -0.080 17.850 19.000 -1.783 0.000 1.133 228 A HN 0.547 nan 8.150 nan 0.000 0.533 229 N N 2.671 121.350 118.700 -0.035 0.000 2.399 229 N HA 0.124 4.865 4.740 0.001 0.000 0.259 229 N C 0.741 176.320 175.510 0.116 0.000 1.160 229 N CA -0.301 52.778 53.050 0.049 0.000 0.946 229 N CB 0.240 38.739 38.487 0.020 0.000 1.156 229 N HN 0.635 nan 8.380 nan 0.000 0.489 230 I N -0.242 120.308 120.570 -0.033 0.000 3.793 230 I HA 0.211 4.382 4.170 0.001 0.000 0.315 230 I C 0.040 176.054 176.117 -0.172 0.000 1.275 230 I CA -0.286 60.875 61.300 -0.231 0.000 1.214 230 I CB -0.354 37.507 38.000 -0.232 0.000 1.018 230 I HN 0.110 nan 8.210 nan 0.000 0.439 231 T N 3.548 118.042 114.554 -0.101 0.000 2.800 231 T HA 0.367 4.717 4.350 0.001 0.000 0.283 231 T C 0.183 174.831 174.700 -0.086 0.000 0.999 231 T CA 0.844 62.892 62.100 -0.086 0.000 1.176 231 T CB 0.128 68.950 68.868 -0.076 0.000 0.973 231 T HN 0.721 nan 8.240 nan 0.000 0.519 232 A N 3.565 126.340 122.820 -0.074 0.000 2.375 232 A HA 0.482 4.803 4.320 0.001 0.000 0.299 232 A C -1.208 176.350 177.584 -0.043 0.000 1.044 232 A CA -1.014 50.985 52.037 -0.063 0.000 0.585 232 A CB 0.463 19.411 19.000 -0.087 0.000 1.438 232 A HN 0.621 nan 8.150 nan 0.000 0.574 233 D N 0.056 120.436 120.400 -0.033 0.000 2.378 233 D HA 0.203 4.843 4.640 0.001 0.000 0.238 233 D C 1.500 177.790 176.300 -0.016 0.000 1.180 233 D CA 0.063 54.051 54.000 -0.020 0.000 0.895 233 D CB 0.878 41.669 40.800 -0.015 0.000 1.192 233 D HN 0.575 nan 8.370 nan 0.000 0.438 234 L N 2.272 123.495 121.223 -0.001 0.000 1.978 234 L HA -0.252 4.088 4.340 0.001 0.000 0.218 234 L C 2.200 179.087 176.870 0.029 0.000 1.075 234 L CA 1.792 56.644 54.840 0.021 0.000 0.767 234 L CB -0.630 41.436 42.059 0.012 0.000 0.890 234 L HN 0.482 nan 8.230 nan 0.000 0.434 235 L N -1.006 120.225 121.223 0.013 0.000 2.079 235 L HA -0.210 4.130 4.340 0.001 0.000 0.210 235 L C 2.530 179.399 176.870 -0.002 0.000 1.081 235 L CA 1.289 56.139 54.840 0.017 0.000 0.752 235 L CB -0.705 41.358 42.059 0.007 0.000 0.896 235 L HN 0.298 nan 8.230 nan 0.000 0.433 236 E N -0.043 120.141 120.200 -0.027 0.000 2.077 236 E HA -0.185 4.165 4.350 0.001 0.000 0.193 236 E C 2.288 178.824 176.600 -0.107 0.000 0.989 236 E CA 1.280 57.641 56.400 -0.066 0.000 0.800 236 E CB -0.183 29.472 29.700 -0.075 0.000 0.746 236 E HN 0.362 nan 8.360 nan 0.000 0.452 237 M N 0.064 119.616 119.600 -0.080 0.000 2.117 237 M HA -0.188 4.293 4.480 0.001 0.000 0.262 237 M C 2.006 178.274 176.300 -0.053 0.000 1.065 237 M CA 1.451 56.694 55.300 -0.095 0.000 1.114 237 M CB -0.340 32.234 32.600 -0.043 0.000 1.361 237 M HN 0.129 nan 8.290 nan 0.000 0.408 238 E N 0.243 120.455 120.200 0.021 0.000 2.058 238 E HA -0.244 4.107 4.350 0.001 0.000 0.194 238 E C 2.047 178.671 176.600 0.041 0.000 0.997 238 E CA 1.392 57.838 56.400 0.076 0.000 0.801 238 E CB -0.198 29.578 29.700 0.127 0.000 0.746 238 E HN 0.608 nan 8.360 nan 0.000 0.450 239 Q N 0.333 120.128 119.800 -0.007 0.000 2.096 239 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 239 Q C 2.217 178.168 176.000 -0.082 0.000 0.982 239 Q CA 1.225 57.012 55.803 -0.026 0.000 0.850 239 Q CB -0.190 28.528 28.738 -0.033 0.000 0.901 239 Q HN 0.165 nan 8.270 nan 0.000 0.422 240 R N 0.374 120.750 120.500 -0.207 0.000 2.092 240 R HA -0.041 4.299 4.340 0.001 0.000 0.231 240 R C 2.292 178.487 176.300 -0.175 0.000 1.119 240 R CA 0.821 56.671 56.100 -0.416 0.000 0.970 240 R CB -0.210 29.475 30.300 -1.024 0.000 0.864 240 R HN 0.208 nan 8.270 nan 0.000 0.440 241 L N 0.483 121.643 121.223 -0.105 0.000 2.046 241 L HA -0.197 4.143 4.340 0.001 0.000 0.208 241 L C 2.556 179.281 176.870 -0.242 0.000 1.077 241 L CA 1.419 56.237 54.840 -0.037 0.000 0.747 241 L CB -0.372 41.772 42.059 0.142 0.000 0.896 241 L HN 0.294 nan 8.230 nan 0.000 0.432 242 E N -0.084 119.994 120.200 -0.203 0.000 2.077 242 E HA -0.191 4.160 4.350 0.001 0.000 0.193 242 E C 2.245 178.729 176.600 -0.193 0.000 0.989 242 E CA 1.264 57.468 56.400 -0.327 0.000 0.800 242 E CB 0.161 29.820 29.700 -0.069 0.000 0.746 242 E HN 0.251 nan 8.360 nan 0.000 0.452 243 V N 1.455 121.348 119.914 -0.034 0.000 2.287 243 V HA -0.304 3.817 4.120 0.001 0.000 0.248 243 V C 2.456 178.599 176.094 0.082 0.000 1.053 243 V CA 1.662 64.011 62.300 0.081 0.000 1.027 243 V CB -0.492 31.484 31.823 0.254 0.000 0.646 243 V HN 0.340 nan 8.190 nan 0.000 0.447 244 L N -0.068 121.216 121.223 0.102 0.000 2.017 244 L HA -0.185 4.155 4.340 0.001 0.000 0.208 244 L C 2.783 179.637 176.870 -0.027 0.000 1.073 244 L CA 1.702 56.594 54.840 0.087 0.000 0.745 244 L CB -0.951 41.163 42.059 0.092 0.000 0.894 244 L HN 0.367 nan 8.230 nan 0.000 0.432 245 A N 0.119 122.813 122.820 -0.210 0.000 1.865 245 A HA -0.269 4.052 4.320 0.001 0.000 0.217 245 A C 1.940 179.459 177.584 -0.109 0.000 1.191 245 A CA 2.215 54.101 52.037 -0.252 0.000 0.623 245 A CB -0.710 17.850 19.000 -0.734 0.000 0.826 245 A HN 0.387 nan 8.150 nan 0.000 0.444 246 D N -0.193 120.143 120.400 -0.106 0.000 2.182 246 D HA -0.110 4.531 4.640 0.001 0.000 0.201 246 D C 1.613 177.917 176.300 0.006 0.000 0.986 246 D CA 1.018 55.000 54.000 -0.031 0.000 0.847 246 D CB -0.252 40.537 40.800 -0.017 0.000 0.942 246 D HN 0.476 nan 8.370 nan 0.000 0.467 247 L N -0.798 120.439 121.223 0.022 0.000 2.592 247 L HA 0.187 4.527 4.340 0.001 0.000 0.227 247 L C 1.347 178.246 176.870 0.049 0.000 1.127 247 L CA 0.248 55.114 54.840 0.043 0.000 0.884 247 L CB 0.036 42.135 42.059 0.066 0.000 1.065 247 L HN 0.079 nan 8.230 nan 0.000 0.457 248 G N 0.839 109.665 108.800 0.043 0.000 2.176 248 G HA2 -0.283 3.678 3.960 0.001 0.000 0.252 248 G HA3 -0.283 3.678 3.960 0.001 0.000 0.252 248 G C 0.220 175.163 174.900 0.073 0.000 1.024 248 G CA 0.007 45.139 45.100 0.053 0.000 0.755 248 G HN 0.231 nan 8.290 nan 0.000 0.507 249 L N -1.339 119.938 121.223 0.090 0.000 2.475 249 L HA 0.454 4.795 4.340 0.001 0.000 0.253 249 L C 1.731 178.655 176.870 0.091 0.000 1.198 249 L CA -0.014 54.905 54.840 0.131 0.000 0.814 249 L CB 0.660 42.844 42.059 0.209 0.000 1.134 249 L HN 0.138 nan 8.230 nan 0.000 0.478 250 K N -1.067 119.394 120.400 0.102 0.000 2.425 250 K HA 0.200 4.521 4.320 0.001 0.000 0.201 250 K C -0.464 176.024 176.600 -0.187 0.000 1.128 250 K CA -0.035 56.243 56.287 -0.015 0.000 1.000 250 K CB 0.624 33.137 32.500 0.021 0.000 0.961 250 K HN 0.444 nan 8.250 nan 0.000 0.555 251 H N -0.433 118.612 119.070 -0.042 0.000 2.637 251 H HA 0.539 5.096 4.556 0.001 0.000 0.363 251 H C -1.324 173.931 175.328 -0.122 0.000 1.131 251 H CA -0.656 55.332 56.048 -0.100 0.000 1.183 251 H CB 2.053 31.817 29.762 0.005 0.000 1.637 251 H HN 0.111 nan 8.280 nan 0.000 0.531 252 A N 3.360 126.167 122.820 -0.021 0.000 2.355 252 A HA 0.538 4.859 4.320 0.001 0.000 0.317 252 A C -0.738 176.812 177.584 -0.057 0.000 1.094 252 A CA -0.784 51.226 52.037 -0.045 0.000 0.764 252 A CB 0.917 19.905 19.000 -0.021 0.000 1.230 252 A HN 0.720 nan 8.150 nan 0.000 0.448 253 M N 3.461 123.020 119.600 -0.067 0.000 2.336 253 M HA 0.681 5.162 4.480 0.001 0.000 0.342 253 M C -1.895 174.379 176.300 -0.043 0.000 1.128 253 M CA -0.451 54.831 55.300 -0.031 0.000 1.016 253 M CB 1.327 33.933 32.600 0.010 0.000 1.665 253 M HN 0.397 nan 8.290 nan 0.000 0.445 254 V N 3.639 123.515 119.914 -0.062 0.000 2.638 254 V HA 0.303 4.424 4.120 0.001 0.000 0.306 254 V C -1.100 174.929 176.094 -0.108 0.000 1.052 254 V CA -0.910 61.337 62.300 -0.089 0.000 0.885 254 V CB 2.119 33.879 31.823 -0.105 0.000 0.999 254 V HN 0.761 nan 8.190 nan 0.000 0.424 255 D N 3.252 123.593 120.400 -0.098 0.000 2.416 255 D HA 0.120 4.760 4.640 0.001 0.000 0.240 255 D C 1.270 177.483 176.300 -0.146 0.000 1.250 255 D CA 0.071 54.015 54.000 -0.094 0.000 0.967 255 D CB 1.453 42.204 40.800 -0.082 0.000 1.059 255 D HN 0.477 nan 8.370 nan 0.000 0.512 256 V N 0.691 120.452 119.914 -0.254 0.000 2.427 256 V HA -0.195 3.925 4.120 0.001 0.000 0.248 256 V C 1.921 177.834 176.094 -0.301 0.000 1.051 256 V CA 0.849 62.926 62.300 -0.372 0.000 1.048 256 V CB -0.653 30.698 31.823 -0.785 0.000 0.666 256 V HN 0.285 nan 8.190 nan 0.000 0.456 257 V N 0.448 120.241 119.914 -0.202 0.000 2.358 257 V HA -0.154 3.966 4.120 0.001 0.000 0.246 257 V C 2.519 178.583 176.094 -0.050 0.000 1.047 257 V CA 2.424 64.692 62.300 -0.053 0.000 1.035 257 V CB -0.469 31.414 31.823 0.100 0.000 0.658 257 V HN 0.448 nan 8.190 nan 0.000 0.452 258 I N -0.155 120.391 120.570 -0.040 0.000 2.252 258 I HA -0.218 3.953 4.170 0.001 0.000 0.245 258 I C 2.562 178.649 176.117 -0.050 0.000 1.102 258 I CA 1.706 62.991 61.300 -0.025 0.000 1.385 258 I CB -0.619 37.368 38.000 -0.022 0.000 1.064 258 I HN 0.301 nan 8.210 nan 0.000 0.414 259 T N 0.351 114.858 114.554 -0.080 0.000 2.665 259 T HA -0.013 4.337 4.350 0.001 0.000 0.268 259 T C 0.921 175.579 174.700 -0.070 0.000 1.035 259 T CA 1.341 63.400 62.100 -0.069 0.000 1.151 259 T CB -0.561 68.260 68.868 -0.078 0.000 0.862 259 T HN 0.688 nan 8.240 nan 0.000 0.438 260 G N -0.837 107.873 108.800 -0.150 0.000 2.662 260 G HA2 -0.134 3.826 3.960 0.001 0.000 0.686 260 G HA3 -0.134 3.826 3.960 0.001 0.000 0.686 260 G C 0.101 174.914 174.900 -0.145 0.000 1.271 260 G CA -0.297 44.693 45.100 -0.183 0.000 0.816 260 G HN 0.374 nan 8.290 nan 0.000 0.608 261 W N 0.589 121.949 121.300 0.100 0.000 2.519 261 W HA 0.207 4.868 4.660 0.001 0.000 0.266 261 W C 2.479 179.047 176.519 0.082 0.000 1.253 261 W CA 0.976 58.379 57.345 0.097 0.000 1.274 261 W CB 0.008 29.505 29.460 0.062 0.000 1.114 261 W HN 0.918 nan 8.180 nan 0.000 0.596 262 G N 0.151 109.098 108.800 0.246 0.000 2.443 262 G HA2 -0.021 3.940 3.960 0.001 0.000 0.219 262 G HA3 -0.021 3.940 3.960 0.001 0.000 0.219 262 G C 1.456 176.433 174.900 0.128 0.000 1.131 262 G CA 1.095 46.291 45.100 0.161 0.000 0.775 262 G HN 0.290 nan 8.290 nan 0.000 0.547 263 A N -0.902 121.993 122.820 0.126 0.000 2.456 263 A HA 0.507 4.827 4.320 0.001 0.000 0.237 263 A C 1.830 179.515 177.584 0.167 0.000 1.217 263 A CA -0.010 52.106 52.037 0.132 0.000 0.962 263 A CB 0.072 19.128 19.000 0.094 0.000 1.079 263 A HN 0.203 nan 8.150 nan 0.000 0.536 264 L N 0.489 121.803 121.223 0.152 0.000 2.046 264 L HA -0.027 4.313 4.340 0.001 0.000 0.208 264 L C 2.361 179.325 176.870 0.157 0.000 1.077 264 L CA 2.216 57.138 54.840 0.136 0.000 0.747 264 L CB -0.600 41.551 42.059 0.153 0.000 0.896 264 L HN 0.521 nan 8.230 nan 0.000 0.432 265 R N -2.063 118.554 120.500 0.194 0.000 2.081 265 R HA -0.262 4.079 4.340 0.001 0.000 0.235 265 R C 2.411 178.792 176.300 0.134 0.000 1.131 265 R CA 1.810 58.010 56.100 0.167 0.000 0.960 265 R CB -0.622 29.773 30.300 0.159 0.000 0.856 265 R HN 0.421 nan 8.270 nan 0.000 0.436 266 Y N 0.871 121.197 120.300 0.043 0.000 2.128 266 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 266 Y C 1.876 177.783 175.900 0.012 0.000 1.154 266 Y CA 1.669 59.779 58.100 0.018 0.000 1.149 266 Y CB -0.171 38.297 38.460 0.014 0.000 0.976 266 Y HN 0.035 nan 8.280 nan 0.000 0.505 267 I N 0.716 121.275 120.570 -0.017 0.000 2.179 267 I HA -0.300 3.871 4.170 0.001 0.000 0.242 267 I C 2.648 178.695 176.117 -0.117 0.000 1.088 267 I CA 1.628 62.865 61.300 -0.105 0.000 1.357 267 I CB -1.288 36.718 38.000 0.010 0.000 1.051 267 I HN 0.304 nan 8.210 nan 0.000 0.409 268 R N 1.308 121.785 120.500 -0.038 0.000 2.091 268 R HA -0.210 4.130 4.340 0.001 0.000 0.238 268 R C 1.670 177.937 176.300 -0.053 0.000 1.136 268 R CA 1.961 58.052 56.100 -0.015 0.000 0.959 268 R CB -0.501 29.827 30.300 0.047 0.000 0.856 268 R HN 0.333 nan 8.270 nan 0.000 0.437 269 D N 0.698 121.040 120.400 -0.096 0.000 2.117 269 D HA -0.152 4.488 4.640 0.001 0.000 0.198 269 D C 1.897 178.064 176.300 -0.221 0.000 0.982 269 D CA 0.749 54.673 54.000 -0.127 0.000 0.828 269 D CB -0.255 40.480 40.800 -0.109 0.000 0.967 269 D HN 0.145 nan 8.370 nan 0.000 0.464 270 L N 1.049 122.056 121.223 -0.360 0.000 2.017 270 L HA -0.074 4.267 4.340 0.001 0.000 0.208 270 L C 2.170 178.874 176.870 -0.276 0.000 1.073 270 L CA 1.780 56.357 54.840 -0.438 0.000 0.745 270 L CB -0.932 40.813 42.059 -0.522 0.000 0.894 270 L HN -0.022 nan 8.230 nan 0.000 0.432 271 A N -0.632 122.131 122.820 -0.094 0.000 1.908 271 A HA -0.178 4.143 4.320 0.001 0.000 0.218 271 A C 2.434 180.063 177.584 0.075 0.000 1.181 271 A CA 2.077 54.148 52.037 0.056 0.000 0.627 271 A CB -1.176 17.844 19.000 0.033 0.000 0.818 271 A HN 0.576 nan 8.150 nan 0.000 0.445 272 A N -0.155 122.674 122.820 0.015 0.000 1.898 272 A HA -0.156 4.165 4.320 0.001 0.000 0.216 272 A C 1.763 179.344 177.584 -0.006 0.000 1.181 272 A CA 1.840 53.899 52.037 0.036 0.000 0.620 272 A CB -0.636 18.361 19.000 -0.006 0.000 0.819 272 A HN 0.431 nan 8.150 nan 0.000 0.442 273 D N -1.310 119.026 120.400 -0.107 0.000 2.182 273 D HA -0.149 4.492 4.640 0.001 0.000 0.201 273 D C 1.211 177.465 176.300 -0.076 0.000 0.986 273 D CA 1.243 55.151 54.000 -0.154 0.000 0.847 273 D CB -0.307 40.312 40.800 -0.303 0.000 0.942 273 D HN 0.569 nan 8.370 nan 0.000 0.467 274 Y N -0.290 120.016 120.300 0.009 0.000 2.546 274 Y HA 0.256 4.807 4.550 0.001 0.000 0.287 274 Y C 1.831 177.768 175.900 0.062 0.000 1.158 274 Y CA 0.312 58.428 58.100 0.027 0.000 1.307 274 Y CB -0.013 38.457 38.460 0.017 0.000 1.036 274 Y HN 0.010 nan 8.280 nan 0.000 0.532 275 G N 0.712 109.650 108.800 0.230 0.000 2.198 275 G HA2 -0.275 3.685 3.960 0.001 0.000 0.257 275 G HA3 -0.275 3.685 3.960 0.001 0.000 0.257 275 G C -0.287 174.821 174.900 0.346 0.000 1.042 275 G CA 0.042 45.309 45.100 0.280 0.000 0.791 275 G HN 0.267 nan 8.290 nan 0.000 0.502 276 L N 0.350 121.720 121.223 0.244 0.000 2.296 276 L HA 0.747 5.088 4.340 0.001 0.000 0.286 276 L C 0.930 177.729 176.870 -0.118 0.000 1.023 276 L CA -0.575 54.272 54.840 0.011 0.000 0.812 276 L CB 1.749 43.830 42.059 0.037 0.000 1.223 276 L HN 0.311 nan 8.230 nan 0.000 0.421 277 A N 4.765 127.161 122.820 -0.707 0.000 2.407 277 A HA 0.608 4.929 4.320 0.001 0.000 0.248 277 A C -0.266 177.114 177.584 -0.340 0.000 1.082 277 A CA -0.179 51.417 52.037 -0.736 0.000 0.785 277 A CB 0.106 18.310 19.000 -1.326 0.000 1.020 277 A HN 0.662 nan 8.150 nan 0.000 0.489 278 I N 1.484 121.965 120.570 -0.148 0.000 2.339 278 I HA 0.219 4.389 4.170 0.001 0.000 0.290 278 I C -0.215 175.835 176.117 -0.112 0.000 0.994 278 I CA -0.325 60.919 61.300 -0.092 0.000 1.191 278 I CB 1.421 39.386 38.000 -0.058 0.000 1.343 278 I HN 0.802 nan 8.210 nan 0.000 0.458 279 H N 4.795 123.706 119.070 -0.264 0.000 2.519 279 H HA 0.555 5.112 4.556 0.001 0.000 0.316 279 H C 0.021 175.213 175.328 -0.228 0.000 1.065 279 H CA -0.378 55.443 56.048 -0.380 0.000 1.264 279 H CB 1.303 30.600 29.762 -0.775 0.000 1.413 279 H HN 0.692 nan 8.280 nan 0.000 0.465 280 G N 4.621 113.068 108.800 -0.588 0.000 2.347 280 G HA2 0.136 4.096 3.960 0.001 0.000 0.314 280 G HA3 0.136 4.096 3.960 0.001 0.000 0.314 280 G C -1.035 173.586 174.900 -0.464 0.000 1.126 280 G CA -0.441 44.387 45.100 -0.453 0.000 0.929 280 G HN 0.738 nan 8.290 nan 0.000 0.441 281 H N 2.529 121.354 119.070 -0.408 0.000 2.473 281 H HA 0.244 4.801 4.556 0.001 0.000 0.327 281 H C 0.833 175.936 175.328 -0.376 0.000 1.105 281 H CA -0.501 55.274 56.048 -0.455 0.000 1.280 281 H CB 1.405 30.982 29.762 -0.309 0.000 1.450 281 H HN 0.649 nan 8.280 nan 0.000 0.492 282 R N 3.083 123.271 120.500 -0.521 0.000 2.515 282 R HA 0.406 4.747 4.340 0.001 0.000 0.294 282 R C 0.067 176.381 176.300 0.023 0.000 1.021 282 R CA -0.466 55.483 56.100 -0.251 0.000 1.081 282 R CB 0.089 30.166 30.300 -0.370 0.000 1.263 282 R HN 0.355 nan 8.270 nan 0.000 0.557 283 A N 1.684 124.628 122.820 0.207 0.000 2.584 283 A HA 0.087 4.407 4.320 0.001 0.000 0.239 283 A C 0.922 178.556 177.584 0.084 0.000 1.043 283 A CA 0.998 53.158 52.037 0.205 0.000 0.756 283 A CB -0.144 18.968 19.000 0.187 0.000 0.963 283 A HN 0.860 nan 8.150 nan 0.000 0.511 284 M N 0.502 120.107 119.600 0.009 0.000 3.038 284 M HA -0.285 4.195 4.480 0.001 0.000 0.218 284 M C 0.978 177.165 176.300 -0.189 0.000 0.566 284 M CA 1.908 57.183 55.300 -0.041 0.000 0.836 284 M CB -2.045 30.584 32.600 0.049 0.000 2.977 284 M HN 1.262 nan 8.290 nan 0.000 0.299 285 H N -0.209 118.700 119.070 -0.268 0.000 2.352 285 H HA 0.269 4.825 4.556 0.001 0.000 0.299 285 H C 1.732 176.593 175.328 -0.778 0.000 1.097 285 H CA 2.115 57.775 56.048 -0.646 0.000 1.311 285 H CB -0.684 28.857 29.762 -0.368 0.000 1.377 285 H HN 0.505 nan 8.280 nan 0.000 0.504 286 A N 1.227 123.259 122.820 -1.313 0.000 2.125 286 A HA 0.041 4.361 4.320 0.001 0.000 0.219 286 A C 2.571 179.896 177.584 -0.432 0.000 1.156 286 A CA 1.153 52.684 52.037 -0.843 0.000 0.671 286 A CB -1.174 17.412 19.000 -0.691 0.000 0.794 286 A HN 0.741 nan 8.150 nan 0.000 0.459 287 A N -0.658 121.936 122.820 -0.378 0.000 2.070 287 A HA 0.106 4.426 4.320 0.001 0.000 0.220 287 A C 1.533 179.119 177.584 0.002 0.000 1.159 287 A CA 1.556 53.522 52.037 -0.119 0.000 0.656 287 A CB -0.586 18.422 19.000 0.013 0.000 0.800 287 A HN 1.187 nan 8.150 nan 0.000 0.453 288 F N -3.469 116.458 119.950 -0.039 0.000 2.871 288 F HA 0.222 4.750 4.527 0.001 0.000 0.344 288 F C 1.400 177.186 175.800 -0.024 0.000 1.078 288 F CA 0.568 58.540 58.000 -0.047 0.000 1.149 288 F CB -0.401 38.544 39.000 -0.092 0.000 1.087 288 F HN 0.023 nan 8.300 nan 0.000 0.557 289 T N -2.714 111.722 114.554 -0.197 0.000 3.040 289 T HA 0.207 4.557 4.350 0.001 0.000 0.250 289 T C 1.723 176.420 174.700 -0.004 0.000 1.058 289 T CA 0.365 62.453 62.100 -0.020 0.000 0.988 289 T CB -0.046 68.835 68.868 0.021 0.000 0.993 289 T HN 0.364 nan 8.240 nan 0.000 0.519 290 R N 1.396 121.870 120.500 -0.043 0.000 2.080 290 R HA 0.143 4.484 4.340 0.001 0.000 0.222 290 R C 0.661 176.970 176.300 0.015 0.000 1.107 290 R CA 0.342 56.428 56.100 -0.023 0.000 0.980 290 R CB -0.122 30.145 30.300 -0.055 0.000 0.879 290 R HN 0.246 nan 8.270 nan 0.000 0.439 291 N N 1.794 120.525 118.700 0.052 0.000 2.416 291 N HA 0.009 4.750 4.740 0.001 0.000 0.265 291 N C -1.926 173.629 175.510 0.075 0.000 1.195 291 N CA -1.671 51.441 53.050 0.102 0.000 0.943 291 N CB 1.557 40.148 38.487 0.172 0.000 1.115 291 N HN 0.109 nan 8.380 nan 0.000 0.481 292 P HA -0.059 nan 4.420 nan 0.000 0.234 292 P C -0.011 177.128 177.300 -0.268 0.000 1.167 292 P CA 1.029 64.012 63.100 -0.195 0.000 0.763 292 P CB 0.039 31.538 31.700 -0.335 0.000 0.835 293 Y N -2.000 118.382 120.300 0.136 0.000 2.481 293 Y HA 0.308 4.859 4.550 0.001 0.000 0.247 293 Y C 0.635 176.702 175.900 0.279 0.000 1.151 293 Y CA -0.197 58.014 58.100 0.186 0.000 1.238 293 Y CB 0.263 38.819 38.460 0.159 0.000 1.179 293 Y HN 0.024 nan 8.280 nan 0.000 0.524 294 H N -0.856 118.359 119.070 0.242 0.000 3.087 294 H HA 0.561 5.117 4.556 0.001 0.000 0.348 294 H C 0.072 175.487 175.328 0.145 0.000 1.092 294 H CA -0.194 55.988 56.048 0.224 0.000 1.285 294 H CB 1.178 31.058 29.762 0.197 0.000 1.875 294 H HN 0.248 nan 8.280 nan 0.000 0.512 295 G N 2.510 111.083 108.800 -0.378 0.000 2.341 295 G HA2 -0.053 3.907 3.960 0.001 0.000 0.196 295 G HA3 -0.053 3.907 3.960 0.001 0.000 0.196 295 G C -1.414 173.413 174.900 -0.123 0.000 1.231 295 G CA -0.336 44.529 45.100 -0.392 0.000 1.155 295 G HN 0.653 nan 8.290 nan 0.000 0.529 296 I N 1.090 121.710 120.570 0.084 0.000 2.466 296 I HA 0.512 4.683 4.170 0.001 0.000 0.289 296 I C 0.615 176.876 176.117 0.239 0.000 1.026 296 I CA -0.668 60.753 61.300 0.202 0.000 1.078 296 I CB 2.003 40.128 38.000 0.208 0.000 1.249 296 I HN 0.623 nan 8.210 nan 0.000 0.429 297 S N 4.519 120.320 115.700 0.168 0.000 2.562 297 S HA 0.087 4.558 4.470 0.001 0.000 0.281 297 S C 1.020 175.722 174.600 0.171 0.000 1.333 297 S CA -0.421 57.864 58.200 0.141 0.000 1.052 297 S CB 0.719 63.992 63.200 0.121 0.000 0.884 297 S HN 0.649 nan 8.310 nan 0.000 0.506 298 M N 5.246 124.925 119.600 0.131 0.000 2.358 298 M HA 0.012 4.493 4.480 0.001 0.000 0.264 298 M C 1.223 177.572 176.300 0.081 0.000 1.064 298 M CA 1.565 56.917 55.300 0.087 0.000 1.093 298 M CB -0.823 31.783 32.600 0.009 0.000 1.401 298 M HN 0.851 nan 8.290 nan 0.000 0.440 299 F N -0.638 119.298 119.950 -0.024 0.000 2.126 299 F HA -0.209 4.318 4.527 0.001 0.000 0.299 299 F C 1.748 177.498 175.800 -0.083 0.000 1.096 299 F CA 1.834 59.790 58.000 -0.073 0.000 1.255 299 F CB -0.351 38.628 39.000 -0.035 0.000 0.997 299 F HN -0.015 nan 8.300 nan 0.000 0.479 300 V N -0.040 119.955 119.914 0.135 0.000 2.307 300 V HA -0.276 3.844 4.120 0.001 0.000 0.245 300 V C 2.332 178.357 176.094 -0.116 0.000 1.045 300 V CA 1.461 63.751 62.300 -0.016 0.000 1.024 300 V CB -0.729 31.112 31.823 0.029 0.000 0.651 300 V HN 0.265 nan 8.190 nan 0.000 0.449 301 L N 0.581 121.800 121.223 -0.007 0.000 2.042 301 L HA -0.170 4.171 4.340 0.001 0.000 0.210 301 L C 2.623 179.444 176.870 -0.082 0.000 1.076 301 L CA 2.360 57.183 54.840 -0.028 0.000 0.749 301 L CB -1.347 40.831 42.059 0.199 0.000 0.893 301 L HN 0.306 nan 8.230 nan 0.000 0.432 302 A N -0.906 121.870 122.820 -0.073 0.000 1.883 302 A HA -0.286 4.034 4.320 0.001 0.000 0.217 302 A C 2.454 179.920 177.584 -0.196 0.000 1.186 302 A CA 2.100 54.070 52.037 -0.111 0.000 0.624 302 A CB -0.543 18.320 19.000 -0.229 0.000 0.822 302 A HN 0.406 nan 8.150 nan 0.000 0.444 303 K N -0.340 119.860 120.400 -0.333 0.000 2.026 303 K HA -0.091 4.229 4.320 0.001 0.000 0.208 303 K C 1.952 178.403 176.600 -0.248 0.000 1.048 303 K CA 1.533 57.641 56.287 -0.297 0.000 0.929 303 K CB -0.334 31.927 32.500 -0.398 0.000 0.713 303 K HN 0.482 nan 8.250 nan 0.000 0.439 304 L N -0.034 121.013 121.223 -0.294 0.000 2.046 304 L HA -0.200 4.140 4.340 0.001 0.000 0.208 304 L C 2.451 179.256 176.870 -0.108 0.000 1.077 304 L CA 1.227 55.898 54.840 -0.282 0.000 0.747 304 L CB -0.610 41.265 42.059 -0.307 0.000 0.896 304 L HN 0.222 nan 8.230 nan 0.000 0.432 305 Y N -0.151 120.188 120.300 0.066 0.000 2.224 305 Y HA -0.212 4.339 4.550 0.001 0.000 0.289 305 Y C 2.800 178.683 175.900 -0.029 0.000 1.146 305 Y CA 1.094 59.217 58.100 0.037 0.000 1.182 305 Y CB -0.651 37.795 38.460 -0.023 0.000 0.983 305 Y HN 0.107 nan 8.280 nan 0.000 0.524 306 R N 0.467 120.999 120.500 0.054 0.000 2.073 306 R HA -0.162 4.179 4.340 0.001 0.000 0.234 306 R C 2.045 178.335 176.300 -0.017 0.000 1.134 306 R CA 1.537 57.623 56.100 -0.023 0.000 0.952 306 R CB -0.559 29.667 30.300 -0.124 0.000 0.850 306 R HN 0.348 nan 8.270 nan 0.000 0.433 307 L N 0.527 121.688 121.223 -0.102 0.000 2.017 307 L HA -0.208 4.132 4.340 0.001 0.000 0.208 307 L C 2.541 179.407 176.870 -0.007 0.000 1.073 307 L CA 1.363 56.057 54.840 -0.243 0.000 0.745 307 L CB -0.399 41.117 42.059 -0.904 0.000 0.894 307 L HN 0.276 nan 8.230 nan 0.000 0.432 308 I N -0.481 120.147 120.570 0.098 0.000 2.208 308 I HA -0.230 3.940 4.170 0.001 0.000 0.245 308 I C 1.477 177.722 176.117 0.212 0.000 1.097 308 I CA 1.560 63.045 61.300 0.309 0.000 1.363 308 I CB -0.388 37.815 38.000 0.338 0.000 1.051 308 I HN 0.526 nan 8.210 nan 0.000 0.413 309 G N 0.306 109.191 108.800 0.141 0.000 2.161 309 G HA2 -0.088 3.872 3.960 0.001 0.000 0.140 309 G HA3 -0.088 3.872 3.960 0.001 0.000 0.140 309 G C 0.021 174.962 174.900 0.068 0.000 1.040 309 G CA -0.760 44.398 45.100 0.097 0.000 0.735 309 G HN 0.047 nan 8.290 nan 0.000 0.496 310 I N 1.965 122.569 120.570 0.056 0.000 2.587 310 I HA 0.132 4.303 4.170 0.001 0.000 0.284 310 I C 1.011 177.119 176.117 -0.014 0.000 1.134 310 I CA -0.094 61.201 61.300 -0.009 0.000 1.410 310 I CB 0.416 38.379 38.000 -0.061 0.000 1.392 310 I HN 0.118 nan 8.210 nan 0.000 0.545 311 D N 5.015 125.408 120.400 -0.012 0.000 2.183 311 D HA -0.068 4.573 4.640 0.001 0.000 0.203 311 D C 0.335 176.653 176.300 0.030 0.000 0.969 311 D CA 1.215 55.232 54.000 0.028 0.000 0.842 311 D CB 0.524 41.353 40.800 0.049 0.000 0.957 311 D HN 0.627 nan 8.370 nan 0.000 0.484 312 Q N 0.082 119.848 119.800 -0.057 0.000 2.305 312 Q HA 0.591 4.932 4.340 0.001 0.000 0.271 312 Q C -1.428 174.414 176.000 -0.264 0.000 1.046 312 Q CA -0.624 55.129 55.803 -0.083 0.000 0.798 312 Q CB 3.111 31.802 28.738 -0.078 0.000 1.286 312 Q HN -0.066 nan 8.270 nan 0.000 0.435 313 L N 1.279 122.383 121.223 -0.200 0.000 2.455 313 L HA 0.395 4.735 4.340 0.001 0.000 0.264 313 L C -1.143 175.635 176.870 -0.153 0.000 0.968 313 L CA -0.269 54.441 54.840 -0.217 0.000 0.827 313 L CB 1.800 43.768 42.059 -0.152 0.000 1.317 313 L HN 0.679 nan 8.230 nan 0.000 0.407 314 H N 3.884 122.764 119.070 -0.316 0.000 2.848 314 H HA 0.264 4.821 4.556 0.001 0.000 0.341 314 H C 0.514 175.707 175.328 -0.224 0.000 1.060 314 H CA 0.642 56.544 56.048 -0.243 0.000 1.444 314 H CB 1.591 31.161 29.762 -0.320 0.000 1.446 314 H HN 0.626 nan 8.280 nan 0.000 0.583 315 V N -0.035 119.833 119.914 -0.076 0.000 3.485 315 V HA 0.467 4.587 4.120 0.001 0.000 0.280 315 V C 0.826 176.880 176.094 -0.066 0.000 1.495 315 V CA 0.432 62.679 62.300 -0.089 0.000 1.018 315 V CB 0.554 32.333 31.823 -0.072 0.000 0.818 315 V HN 1.054 nan 8.190 nan 0.000 0.436 316 G N 1.222 109.997 108.800 -0.043 0.000 2.384 316 G HA2 0.172 4.133 3.960 0.001 0.000 0.668 316 G HA3 0.172 4.133 3.960 0.001 0.000 0.668 316 G C 0.085 174.977 174.900 -0.013 0.000 1.280 316 G CA 0.358 45.449 45.100 -0.015 0.000 0.992 316 G HN 1.265 nan 8.290 nan 0.000 0.512 317 T N -2.847 111.705 114.554 -0.004 0.000 3.252 317 T HA 0.662 5.013 4.350 0.001 0.000 0.286 317 T C 1.334 176.028 174.700 -0.011 0.000 1.013 317 T CA 1.546 63.639 62.100 -0.011 0.000 0.914 317 T CB 0.329 69.191 68.868 -0.011 0.000 1.131 317 T HN 2.660 nan 8.240 nan 0.000 0.529 318 A N 0.273 123.090 122.820 -0.005 0.000 2.704 318 A HA 0.150 4.470 4.320 0.001 0.000 0.299 318 A C 1.877 179.460 177.584 -0.002 0.000 1.507 318 A CA 1.146 53.181 52.037 -0.002 0.000 0.776 318 A CB -2.157 16.840 19.000 -0.005 0.000 1.027 318 A HN 2.267 nan 8.150 nan 0.000 0.475 319 G N -2.929 105.872 108.800 0.002 0.000 2.217 319 G HA2 0.067 4.028 3.960 0.001 0.000 0.246 319 G HA3 0.067 4.028 3.960 0.001 0.000 0.246 319 G C 1.397 176.299 174.900 0.003 0.000 0.990 319 G CA 1.243 46.346 45.100 0.005 0.000 0.627 319 G HN 2.268 nan 8.290 nan 0.000 0.522 320 A N 0.240 123.056 122.820 -0.007 0.000 1.930 320 A HA 0.608 4.929 4.320 0.001 0.000 0.215 320 A C 1.890 179.468 177.584 -0.010 0.000 1.176 320 A CA 2.166 54.193 52.037 -0.016 0.000 0.632 320 A CB -0.403 18.572 19.000 -0.043 0.000 0.819 320 A HN 1.751 nan 8.150 nan 0.000 0.445 321 G N -0.776 108.021 108.800 -0.005 0.000 2.702 321 G HA2 0.398 4.359 3.960 0.001 0.000 0.254 321 G HA3 0.398 4.359 3.960 0.001 0.000 0.254 321 G C 0.648 175.558 174.900 0.017 0.000 1.380 321 G CA 0.178 45.280 45.100 0.003 0.000 1.042 321 G HN 0.357 nan 8.290 nan 0.000 0.557 322 K N -1.266 119.146 120.400 0.020 0.000 2.400 322 K HA 0.233 4.553 4.320 0.001 0.000 0.194 322 K C 0.262 176.877 176.600 0.025 0.000 1.033 322 K CA 0.194 56.495 56.287 0.024 0.000 1.021 322 K CB -0.096 32.418 32.500 0.023 0.000 0.808 322 K HN 0.210 nan 8.250 nan 0.000 0.505 323 L N 2.062 123.302 121.223 0.029 0.000 2.331 323 L HA 0.281 4.621 4.340 0.001 0.000 0.275 323 L C 0.229 177.116 176.870 0.029 0.000 1.022 323 L CA -1.090 53.769 54.840 0.031 0.000 0.812 323 L CB 1.627 43.715 42.059 0.049 0.000 1.257 323 L HN 0.118 nan 8.230 nan 0.000 0.435 324 E N 1.858 122.072 120.200 0.023 0.000 2.414 324 E HA 0.314 4.664 4.350 0.001 0.000 0.263 324 E C -0.265 176.352 176.600 0.030 0.000 1.000 324 E CA 0.285 56.697 56.400 0.021 0.000 0.914 324 E CB 1.126 30.832 29.700 0.010 0.000 0.948 324 E HN 0.766 nan 8.360 nan 0.000 0.444 325 G N 4.632 113.445 108.800 0.021 0.000 2.110 325 G HA2 -0.003 3.957 3.960 0.001 0.000 0.218 325 G HA3 -0.003 3.957 3.960 0.001 0.000 0.218 325 G C -0.661 174.245 174.900 0.011 0.000 2.460 325 G CA -0.730 44.382 45.100 0.018 0.000 0.838 325 G HN 0.363 nan 8.290 nan 0.000 0.534 326 E N 0.896 121.100 120.200 0.007 0.000 2.392 326 E HA 0.257 4.608 4.350 0.001 0.000 0.256 326 E C 1.635 178.240 176.600 0.008 0.000 1.145 326 E CA -0.680 55.724 56.400 0.007 0.000 0.929 326 E CB 1.244 30.947 29.700 0.006 0.000 0.998 326 E HN 0.583 nan 8.360 nan 0.000 0.442 327 R N 1.145 121.651 120.500 0.010 0.000 2.097 327 R HA -0.209 4.132 4.340 0.001 0.000 0.236 327 R C 1.504 177.815 176.300 0.018 0.000 1.135 327 R CA 2.445 58.551 56.100 0.011 0.000 0.934 327 R CB -0.239 30.067 30.300 0.010 0.000 0.846 327 R HN 0.599 nan 8.270 nan 0.000 0.431 328 D N 0.515 120.930 120.400 0.024 0.000 2.123 328 D HA -0.212 4.429 4.640 0.001 0.000 0.196 328 D C 1.969 178.295 176.300 0.044 0.000 0.992 328 D CA 1.291 55.314 54.000 0.039 0.000 0.833 328 D CB -0.464 40.365 40.800 0.048 0.000 0.954 328 D HN 0.303 nan 8.370 nan 0.000 0.455 329 I N 1.260 121.844 120.570 0.025 0.000 2.226 329 I HA -0.181 3.989 4.170 0.001 0.000 0.245 329 I C 2.272 178.407 176.117 0.030 0.000 1.100 329 I CA 1.258 62.572 61.300 0.023 0.000 1.374 329 I CB -1.373 36.624 38.000 -0.005 0.000 1.057 329 I HN 0.090 nan 8.210 nan 0.000 0.413 330 T N 1.532 116.096 114.554 0.017 0.000 2.788 330 T HA -0.074 4.276 4.350 0.001 0.000 0.268 330 T C 2.077 176.785 174.700 0.013 0.000 1.044 330 T CA 1.076 63.181 62.100 0.007 0.000 1.139 330 T CB -0.206 68.662 68.868 0.000 0.000 0.867 330 T HN 0.222 nan 8.240 nan 0.000 0.454 331 I N 0.981 121.567 120.570 0.027 0.000 2.179 331 I HA -0.201 3.970 4.170 0.001 0.000 0.242 331 I C 2.845 178.997 176.117 0.057 0.000 1.088 331 I CA 1.077 62.399 61.300 0.037 0.000 1.357 331 I CB -0.324 37.702 38.000 0.043 0.000 1.051 331 I HN 0.165 nan 8.210 nan 0.000 0.409 332 Q N 0.605 120.450 119.800 0.076 0.000 2.084 332 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 332 Q C 1.970 178.013 176.000 0.072 0.000 0.978 332 Q CA 1.394 57.261 55.803 0.107 0.000 0.844 332 Q CB -0.801 27.962 28.738 0.041 0.000 0.898 332 Q HN 0.524 nan 8.270 nan 0.000 0.426 333 N N 1.028 119.748 118.700 0.034 0.000 2.061 333 N HA -0.156 4.584 4.740 0.001 0.000 0.193 333 N C 1.680 177.124 175.510 -0.109 0.000 1.030 333 N CA 1.681 54.693 53.050 -0.064 0.000 0.856 333 N CB -0.447 38.011 38.487 -0.047 0.000 1.023 333 N HN 0.304 nan 8.380 nan 0.000 0.424 334 A N 1.469 124.258 122.820 -0.052 0.000 1.877 334 A HA -0.099 4.222 4.320 0.001 0.000 0.216 334 A C 2.261 179.808 177.584 -0.061 0.000 1.186 334 A CA 1.179 53.187 52.037 -0.050 0.000 0.620 334 A CB -0.429 18.563 19.000 -0.013 0.000 0.822 334 A HN 0.232 nan 8.150 nan 0.000 0.443 335 R N -1.221 119.276 120.500 -0.005 0.000 2.083 335 R HA -0.132 4.209 4.340 0.001 0.000 0.237 335 R C 1.900 178.180 176.300 -0.034 0.000 1.137 335 R CA 1.582 57.718 56.100 0.061 0.000 0.951 335 R CB -0.508 29.945 30.300 0.255 0.000 0.851 335 R HN 0.496 nan 8.270 nan 0.000 0.434 336 I N 0.857 121.295 120.570 -0.220 0.000 2.830 336 I HA -0.131 4.039 4.170 0.001 0.000 0.263 336 I C 1.702 177.534 176.117 -0.475 0.000 1.230 336 I CA 1.075 62.098 61.300 -0.462 0.000 1.480 336 I CB 0.046 37.449 38.000 -0.994 0.000 1.095 336 I HN 0.124 nan 8.210 nan 0.000 0.455 337 L N -0.800 120.212 121.223 -0.352 0.000 2.270 337 L HA -0.021 4.319 4.340 0.001 0.000 0.210 337 L C 2.345 179.009 176.870 -0.343 0.000 1.104 337 L CA 0.749 55.393 54.840 -0.327 0.000 0.804 337 L CB -0.346 41.592 42.059 -0.201 0.000 0.937 337 L HN 0.112 nan 8.230 nan 0.000 0.450 338 R N -0.548 119.787 120.500 -0.275 0.000 2.225 338 R HA 0.126 4.466 4.340 0.001 0.000 0.194 338 R C 0.161 176.327 176.300 -0.223 0.000 0.957 338 R CA 0.036 56.000 56.100 -0.227 0.000 1.042 338 R CB 0.419 30.632 30.300 -0.146 0.000 1.004 338 R HN 0.318 nan 8.270 nan 0.000 0.509 339 E N 0.734 120.809 120.200 -0.208 0.000 2.301 339 E HA 0.048 4.398 4.350 0.001 0.000 0.275 339 E C 0.457 176.995 176.600 -0.105 0.000 1.030 339 E CA -0.137 56.213 56.400 -0.084 0.000 0.852 339 E CB 1.617 31.365 29.700 0.079 0.000 1.060 339 E HN 0.073 nan 8.360 nan 0.000 0.401 340 S N 1.705 117.413 115.700 0.013 0.000 2.446 340 S HA -0.123 4.348 4.470 0.001 0.000 0.225 340 S C 0.657 175.399 174.600 0.236 0.000 1.016 340 S CA 0.574 58.830 58.200 0.092 0.000 0.943 340 S CB -0.048 63.181 63.200 0.050 0.000 0.786 340 S HN 0.667 nan 8.310 nan 0.000 0.508 341 H N -0.296 118.850 119.070 0.127 0.000 2.917 341 H HA 0.334 4.891 4.556 0.001 0.000 0.279 341 H C -1.645 173.785 175.328 0.170 0.000 1.211 341 H CA -1.127 54.997 56.048 0.126 0.000 1.534 341 H CB 0.365 30.140 29.762 0.021 0.000 1.581 341 H HN 0.355 nan 8.280 nan 0.000 0.510 342 Y N 4.831 125.373 120.300 0.403 0.000 2.436 342 Y HA 0.202 4.753 4.550 0.001 0.000 0.336 342 Y C -0.789 175.258 175.900 0.246 0.000 1.049 342 Y CA -0.062 58.208 58.100 0.283 0.000 1.294 342 Y CB 0.349 39.013 38.460 0.340 0.000 1.179 342 Y HN 0.436 nan 8.280 nan 0.000 0.520 343 K N 8.965 129.069 120.400 -0.494 0.000 2.450 343 K HA 0.345 4.666 4.320 0.001 0.000 0.257 343 K C -2.707 173.520 176.600 -0.622 0.000 0.953 343 K CA -2.038 54.004 56.287 -0.408 0.000 0.844 343 K CB 1.391 33.726 32.500 -0.276 0.000 1.103 343 K HN 0.468 nan 8.250 nan 0.000 0.429 344 P HA -0.017 nan 4.420 nan 0.000 0.269 344 P C -0.655 176.567 177.300 -0.131 0.000 1.209 344 P CA -0.137 62.839 63.100 -0.205 0.000 0.776 344 P CB 0.572 32.305 31.700 0.056 0.000 0.876 345 D N 1.236 121.596 120.400 -0.068 0.000 2.423 345 D HA 0.053 4.693 4.640 0.001 0.000 0.238 345 D C 1.814 178.088 176.300 -0.042 0.000 1.142 345 D CA 0.321 54.293 54.000 -0.047 0.000 0.884 345 D CB 0.288 41.083 40.800 -0.009 0.000 1.199 345 D HN 0.520 nan 8.370 nan 0.000 0.438 346 E N 2.183 122.355 120.200 -0.047 0.000 2.219 346 E HA -0.238 4.112 4.350 0.001 0.000 0.198 346 E C 1.107 177.672 176.600 -0.059 0.000 0.998 346 E CA 1.549 57.919 56.400 -0.050 0.000 0.818 346 E CB -0.771 28.904 29.700 -0.042 0.000 0.741 346 E HN 0.600 nan 8.360 nan 0.000 0.477 347 N N 0.098 118.769 118.700 -0.048 0.000 2.280 347 N HA -0.012 4.729 4.740 0.001 0.000 0.192 347 N C -0.287 175.172 175.510 -0.084 0.000 1.109 347 N CA 0.351 53.363 53.050 -0.062 0.000 0.855 347 N CB 0.221 38.690 38.487 -0.031 0.000 0.974 347 N HN 0.306 nan 8.380 nan 0.000 0.482 348 D N 1.660 122.023 120.400 -0.062 0.000 2.336 348 D HA 0.050 4.690 4.640 0.001 0.000 0.249 348 D C 1.167 177.345 176.300 -0.203 0.000 1.213 348 D CA -0.416 53.556 54.000 -0.046 0.000 0.870 348 D CB 1.669 42.522 40.800 0.089 0.000 1.076 348 D HN 0.020 nan 8.370 nan 0.000 0.483 349 V N 1.919 121.565 119.914 -0.446 0.000 3.647 349 V HA 0.210 4.330 4.120 0.001 0.000 0.279 349 V C 0.962 176.637 176.094 -0.699 0.000 1.314 349 V CA 0.175 62.088 62.300 -0.645 0.000 1.125 349 V CB -0.908 30.376 31.823 -0.897 0.000 0.907 349 V HN 0.291 nan 8.190 nan 0.000 0.434 350 F N 0.529 120.239 119.950 -0.399 0.000 2.559 350 F HA 0.432 4.960 4.527 0.001 0.000 0.286 350 F C 1.183 176.550 175.800 -0.722 0.000 1.108 350 F CA -0.156 57.462 58.000 -0.638 0.000 1.436 350 F CB -0.095 38.325 39.000 -0.968 0.000 1.130 350 F HN 0.307 nan 8.300 nan 0.000 0.584 351 H N -0.383 118.652 119.070 -0.059 0.000 2.569 351 H HA 0.646 5.203 4.556 0.001 0.000 0.357 351 H C -0.662 174.709 175.328 0.073 0.000 1.153 351 H CA -0.842 55.129 56.048 -0.129 0.000 1.193 351 H CB 1.814 31.401 29.762 -0.292 0.000 1.602 351 H HN -0.181 nan 8.280 nan 0.000 0.523 352 L N 0.832 122.226 121.223 0.285 0.000 2.322 352 L HA 0.310 4.650 4.340 0.001 0.000 0.269 352 L C 0.425 177.534 176.870 0.398 0.000 1.012 352 L CA -0.909 54.078 54.840 0.245 0.000 0.815 352 L CB 1.688 43.841 42.059 0.156 0.000 1.295 352 L HN 0.638 nan 8.230 nan 0.000 0.438 353 E N 1.735 122.093 120.200 0.263 0.000 2.452 353 E HA -0.009 4.342 4.350 0.001 0.000 0.261 353 E C -0.887 175.952 176.600 0.399 0.000 0.987 353 E CA 0.058 56.645 56.400 0.311 0.000 0.926 353 E CB 0.682 30.495 29.700 0.188 0.000 0.934 353 E HN 0.400 nan 8.360 nan 0.000 0.452 354 Q N 3.539 123.603 119.800 0.440 0.000 2.309 354 Q HA 0.238 4.578 4.340 0.001 0.000 0.254 354 Q C -1.777 174.247 176.000 0.040 0.000 0.938 354 Q CA -0.566 55.375 55.803 0.229 0.000 0.789 354 Q CB 1.127 29.912 28.738 0.078 0.000 1.313 354 Q HN 0.356 nan 8.270 nan 0.000 0.438 355 K N 3.253 123.529 120.400 -0.207 0.000 2.174 355 K HA 0.316 4.636 4.320 0.001 0.000 0.275 355 K C -0.307 176.028 176.600 -0.442 0.000 1.015 355 K CA -0.139 55.868 56.287 -0.467 0.000 0.933 355 K CB 0.724 32.694 32.500 -0.883 0.000 1.025 355 K HN 0.601 nan 8.250 nan 0.000 0.463 356 F N 0.959 120.765 119.950 -0.240 0.000 2.706 356 F HA 0.091 4.619 4.527 0.001 0.000 0.308 356 F C 0.131 175.983 175.800 0.087 0.000 1.095 356 F CA -0.199 57.779 58.000 -0.037 0.000 1.244 356 F CB 0.016 38.992 39.000 -0.040 0.000 1.063 356 F HN 0.645 nan 8.300 nan 0.000 0.582 357 Y N -1.077 119.284 120.300 0.102 0.000 2.851 357 Y HA -0.481 4.070 4.550 0.001 0.000 0.469 357 Y C 2.028 177.969 175.900 0.068 0.000 1.167 357 Y CA 1.147 59.279 58.100 0.053 0.000 2.635 357 Y CB -1.940 36.529 38.460 0.016 0.000 1.196 357 Y HN -0.177 nan 8.280 nan 0.000 0.625 358 S N 0.486 116.341 115.700 0.258 0.000 2.593 358 S HA 0.200 4.670 4.470 0.001 0.000 0.217 358 S C 0.243 174.911 174.600 0.114 0.000 0.966 358 S CA -0.038 58.245 58.200 0.139 0.000 0.914 358 S CB -0.253 63.004 63.200 0.096 0.000 0.776 358 S HN 0.213 nan 8.310 nan 0.000 0.523 359 I N 3.666 124.334 120.570 0.164 0.000 2.664 359 I HA 0.047 4.218 4.170 0.001 0.000 0.284 359 I C 0.706 176.847 176.117 0.040 0.000 1.154 359 I CA 0.275 61.653 61.300 0.130 0.000 1.402 359 I CB -0.364 37.777 38.000 0.235 0.000 1.395 359 I HN 0.079 nan 8.210 nan 0.000 0.545 360 K N 4.254 124.655 120.400 0.002 0.000 2.286 360 K HA 0.294 4.615 4.320 0.001 0.000 0.256 360 K C 0.380 176.912 176.600 -0.114 0.000 0.999 360 K CA -0.372 55.886 56.287 -0.047 0.000 0.908 360 K CB 0.485 32.964 32.500 -0.034 0.000 0.981 360 K HN 0.746 nan 8.250 nan 0.000 0.500 361 A N 1.160 123.890 122.820 -0.150 0.000 2.401 361 A HA 0.451 4.771 4.320 0.001 0.000 0.259 361 A C -0.172 177.300 177.584 -0.186 0.000 1.103 361 A CA -0.308 51.601 52.037 -0.214 0.000 0.789 361 A CB 0.370 19.234 19.000 -0.226 0.000 1.035 361 A HN 0.705 nan 8.150 nan 0.000 0.491 362 A N 1.576 124.287 122.820 -0.182 0.000 2.293 362 A HA 0.646 4.966 4.320 0.001 0.000 0.302 362 A C -0.611 176.926 177.584 -0.079 0.000 1.119 362 A CA -0.393 51.581 52.037 -0.105 0.000 0.823 362 A CB 0.189 19.134 19.000 -0.091 0.000 1.097 362 A HN 0.735 nan 8.150 nan 0.000 0.491 363 F N 2.369 122.269 119.950 -0.083 0.000 2.413 363 F HA 0.387 4.914 4.527 0.001 0.000 0.359 363 F C -2.055 173.686 175.800 -0.098 0.000 1.122 363 F CA -2.464 55.493 58.000 -0.071 0.000 1.160 363 F CB 1.012 39.986 39.000 -0.044 0.000 1.146 363 F HN 0.248 nan 8.300 nan 0.000 0.514 364 P HA 0.100 nan 4.420 nan 0.000 0.268 364 P C -0.750 176.555 177.300 0.008 0.000 1.204 364 P CA 0.108 63.239 63.100 0.051 0.000 0.768 364 P CB 0.584 32.304 31.700 0.032 0.000 0.842 365 T N 1.941 116.425 114.554 -0.116 0.000 2.792 365 T HA 0.373 4.724 4.350 0.001 0.000 0.280 365 T C -0.251 174.312 174.700 -0.228 0.000 0.990 365 T CA -0.362 61.602 62.100 -0.227 0.000 0.960 365 T CB 0.676 69.277 68.868 -0.444 0.000 0.939 365 T HN 0.135 nan 8.240 nan 0.000 0.439 366 S N 2.535 118.151 115.700 -0.140 0.000 2.433 366 S HA 0.728 5.198 4.470 0.001 0.000 0.310 366 S C -0.588 173.979 174.600 -0.056 0.000 1.097 366 S CA -0.479 57.672 58.200 -0.082 0.000 1.103 366 S CB 0.606 63.780 63.200 -0.044 0.000 0.992 366 S HN 0.731 nan 8.310 nan 0.000 0.469 367 S N 3.135 118.828 115.700 -0.011 0.000 2.547 367 S HA 0.771 5.241 4.470 0.001 0.000 0.270 367 S C -0.623 174.022 174.600 0.075 0.000 1.150 367 S CA 0.288 58.521 58.200 0.054 0.000 0.850 367 S CB 1.169 64.448 63.200 0.131 0.000 1.118 367 S HN 1.941 nan 8.310 nan 0.000 0.461 368 G N 1.293 110.132 108.800 0.065 0.000 2.730 368 G HA2 0.451 4.411 3.960 0.001 0.000 0.644 368 G HA3 0.451 4.411 3.960 0.001 0.000 0.644 368 G C 0.895 175.806 174.900 0.018 0.000 1.168 368 G CA 0.376 45.509 45.100 0.054 0.000 1.240 368 G HN 2.205 nan 8.290 nan 0.000 0.551 369 G N -0.182 108.619 108.800 0.002 0.000 2.221 369 G HA2 -0.141 3.820 3.960 0.001 0.000 0.265 369 G HA3 -0.141 3.820 3.960 0.001 0.000 0.265 369 G C 0.500 175.379 174.900 -0.036 0.000 1.041 369 G CA 0.695 45.782 45.100 -0.022 0.000 0.807 369 G HN 1.416 nan 8.290 nan 0.000 0.502 370 L N 0.132 121.315 121.223 -0.066 0.000 2.357 370 L HA 0.790 5.131 4.340 0.001 0.000 0.273 370 L C 0.739 177.507 176.870 -0.170 0.000 1.080 370 L CA -0.942 53.824 54.840 -0.125 0.000 0.803 370 L CB 1.276 43.277 42.059 -0.096 0.000 1.174 370 L HN 0.626 nan 8.230 nan 0.000 0.443 371 H N -0.069 118.843 119.070 -0.263 0.000 2.966 371 H HA 0.387 4.944 4.556 0.001 0.000 0.330 371 H C -2.652 172.589 175.328 -0.145 0.000 1.292 371 H CA -1.864 53.974 56.048 -0.349 0.000 1.127 371 H CB 0.752 30.073 29.762 -0.735 0.000 1.863 371 H HN 0.111 nan 8.280 nan 0.000 0.543 372 P HA -0.110 nan 4.420 nan 0.000 0.216 372 P C 1.423 178.715 177.300 -0.013 0.000 1.150 372 P CA 2.569 65.679 63.100 0.017 0.000 0.843 372 P CB -0.178 31.613 31.700 0.152 0.000 0.787 373 G N -0.785 108.059 108.800 0.074 0.000 2.920 373 G HA2 -0.123 3.838 3.960 0.001 0.000 0.208 373 G HA3 -0.123 3.838 3.960 0.001 0.000 0.208 373 G C 0.800 175.666 174.900 -0.056 0.000 1.159 373 G CA 0.239 45.363 45.100 0.040 0.000 0.784 373 G HN 0.363 nan 8.290 nan 0.000 0.535 374 N N -0.009 118.425 118.700 -0.444 0.000 2.232 374 N HA 0.030 4.770 4.740 0.001 0.000 0.240 374 N C 1.355 176.732 175.510 -0.220 0.000 1.307 374 N CA -0.159 52.703 53.050 -0.315 0.000 0.859 374 N CB -0.573 37.651 38.487 -0.438 0.000 1.260 374 N HN 0.414 nan 8.380 nan 0.000 0.501 375 I N -3.549 116.909 120.570 -0.186 0.000 3.427 375 I HA 0.116 4.287 4.170 0.001 0.000 0.288 375 I C 2.122 178.187 176.117 -0.087 0.000 1.249 375 I CA 0.129 61.351 61.300 -0.130 0.000 1.421 375 I CB 0.006 37.925 38.000 -0.135 0.000 1.086 375 I HN -0.049 nan 8.210 nan 0.000 0.448 376 Q N 2.638 122.395 119.800 -0.072 0.000 2.061 376 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 376 Q C -0.392 175.578 176.000 -0.050 0.000 0.984 376 Q CA 2.505 58.274 55.803 -0.057 0.000 0.846 376 Q CB -1.321 27.391 28.738 -0.043 0.000 0.902 376 Q HN 0.377 nan 8.270 nan 0.000 0.421 377 P HA -0.074 nan 4.420 nan 0.000 0.220 377 P C 1.616 178.896 177.300 -0.034 0.000 1.148 377 P CA 0.917 63.993 63.100 -0.039 0.000 0.803 377 P CB -0.057 31.622 31.700 -0.036 0.000 0.782 378 V N -0.271 119.618 119.914 -0.042 0.000 2.307 378 V HA -0.205 3.915 4.120 0.001 0.000 0.245 378 V C 2.342 178.419 176.094 -0.028 0.000 1.045 378 V CA 1.598 63.877 62.300 -0.035 0.000 1.024 378 V CB -1.023 30.773 31.823 -0.045 0.000 0.651 378 V HN 0.041 nan 8.190 nan 0.000 0.449 379 I N 0.115 120.665 120.570 -0.034 0.000 2.315 379 I HA -0.237 3.933 4.170 0.001 0.000 0.248 379 I C 2.588 178.692 176.117 -0.021 0.000 1.117 379 I CA 1.755 63.039 61.300 -0.026 0.000 1.404 379 I CB -0.312 37.665 38.000 -0.038 0.000 1.071 379 I HN 0.439 nan 8.210 nan 0.000 0.419 380 E N 1.436 121.620 120.200 -0.026 0.000 2.110 380 E HA -0.236 4.114 4.350 0.001 0.000 0.193 380 E C 2.225 178.818 176.600 -0.013 0.000 0.988 380 E CA 1.380 57.767 56.400 -0.021 0.000 0.804 380 E CB 0.026 29.711 29.700 -0.025 0.000 0.745 380 E HN 0.488 nan 8.360 nan 0.000 0.458 381 A N 0.549 123.362 122.820 -0.011 0.000 1.898 381 A HA 0.008 4.328 4.320 0.001 0.000 0.214 381 A C 2.031 179.616 177.584 0.002 0.000 1.183 381 A CA 0.824 52.858 52.037 -0.004 0.000 0.622 381 A CB -0.182 18.816 19.000 -0.004 0.000 0.824 381 A HN 0.308 nan 8.150 nan 0.000 0.444 382 L N -1.688 119.535 121.223 0.001 0.000 2.590 382 L HA 0.360 4.700 4.340 0.001 0.000 0.227 382 L C 1.268 178.145 176.870 0.012 0.000 1.099 382 L CA 0.298 55.143 54.840 0.007 0.000 0.872 382 L CB -0.442 41.621 42.059 0.007 0.000 1.088 382 L HN 0.626 nan 8.230 nan 0.000 0.479 383 G N 0.937 109.741 108.800 0.007 0.000 2.660 383 G HA2 -0.291 3.669 3.960 0.001 0.000 0.215 383 G HA3 -0.291 3.669 3.960 0.001 0.000 0.215 383 G C 0.495 175.409 174.900 0.022 0.000 1.345 383 G CA -0.015 45.092 45.100 0.011 0.000 0.877 383 G HN 0.172 nan 8.290 nan 0.000 0.549 384 T N -3.070 111.502 114.554 0.031 0.000 3.065 384 T HA 0.259 4.609 4.350 0.001 0.000 0.252 384 T C 0.750 175.515 174.700 0.109 0.000 1.099 384 T CA 1.273 63.402 62.100 0.049 0.000 1.063 384 T CB 0.310 69.199 68.868 0.034 0.000 0.948 384 T HN 0.396 nan 8.240 nan 0.000 0.506 385 D N 2.674 123.142 120.400 0.114 0.000 2.688 385 D HA 0.354 4.995 4.640 0.001 0.000 0.228 385 D C 0.086 176.605 176.300 0.364 0.000 1.116 385 D CA -0.185 53.937 54.000 0.203 0.000 1.023 385 D CB -0.406 40.405 40.800 0.018 0.000 1.100 385 D HN 0.717 nan 8.370 nan 0.000 0.487 386 I N -3.237 117.558 120.570 0.374 0.000 3.095 386 I HA 0.556 4.727 4.170 0.001 0.000 0.310 386 I C -0.808 175.260 176.117 -0.081 0.000 1.196 386 I CA -1.256 60.178 61.300 0.223 0.000 0.985 386 I CB 2.014 40.063 38.000 0.081 0.000 1.250 386 I HN -0.380 nan 8.210 nan 0.000 0.446 387 V N 3.968 123.741 119.914 -0.236 0.000 2.394 387 V HA 0.444 4.565 4.120 0.001 0.000 0.282 387 V C 0.009 176.073 176.094 -0.052 0.000 1.031 387 V CA -0.434 61.716 62.300 -0.251 0.000 0.881 387 V CB 1.364 32.987 31.823 -0.333 0.000 0.982 387 V HN 0.462 nan 8.190 nan 0.000 0.451 388 L N 4.668 125.922 121.223 0.051 0.000 2.295 388 L HA 0.562 4.903 4.340 0.001 0.000 0.285 388 L C -0.085 176.885 176.870 0.167 0.000 1.035 388 L CA -0.241 54.650 54.840 0.085 0.000 0.806 388 L CB 1.547 43.653 42.059 0.078 0.000 1.214 388 L HN 0.539 nan 8.230 nan 0.000 0.426 389 Q N 4.272 124.144 119.800 0.120 0.000 2.327 389 Q HA 0.432 4.773 4.340 0.001 0.000 0.270 389 Q C -1.750 174.303 176.000 0.089 0.000 1.022 389 Q CA -0.749 55.128 55.803 0.123 0.000 0.773 389 Q CB 1.872 30.717 28.738 0.177 0.000 1.251 389 Q HN 0.446 nan 8.270 nan 0.000 0.457 390 L N 3.914 125.197 121.223 0.100 0.000 2.353 390 L HA 0.474 4.815 4.340 0.001 0.000 0.270 390 L C 0.928 177.820 176.870 0.038 0.000 1.003 390 L CA -0.096 54.785 54.840 0.070 0.000 0.862 390 L CB 1.777 43.892 42.059 0.094 0.000 1.221 390 L HN 0.788 nan 8.230 nan 0.000 0.430 391 G N 1.697 110.507 108.800 0.016 0.000 2.658 391 G HA2 0.047 4.008 3.960 0.001 0.000 0.217 391 G HA3 0.047 4.008 3.960 0.001 0.000 0.217 391 G C 1.286 176.190 174.900 0.007 0.000 1.319 391 G CA 0.638 45.745 45.100 0.013 0.000 0.885 391 G HN 0.692 nan 8.290 nan 0.000 0.553 392 G N 0.587 109.384 108.800 -0.006 0.000 2.432 392 G HA2 0.087 4.047 3.960 0.001 0.000 0.219 392 G HA3 0.087 4.047 3.960 0.001 0.000 0.219 392 G C 1.662 176.524 174.900 -0.064 0.000 1.135 392 G CA 1.321 46.421 45.100 -0.000 0.000 0.767 392 G HN 0.701 nan 8.290 nan 0.000 0.550 393 G N -0.679 107.986 108.800 -0.225 0.000 2.708 393 G HA2 0.134 4.094 3.960 0.001 0.000 0.210 393 G HA3 0.134 4.094 3.960 0.001 0.000 0.210 393 G C 1.429 176.255 174.900 -0.125 0.000 1.141 393 G CA 1.499 46.290 45.100 -0.515 0.000 0.788 393 G HN 0.406 nan 8.290 nan 0.000 0.531 394 T N 0.140 114.732 114.554 0.063 0.000 3.114 394 T HA 0.104 4.454 4.350 0.001 0.000 0.240 394 T C 2.145 176.974 174.700 0.214 0.000 0.983 394 T CA -0.059 62.142 62.100 0.169 0.000 1.151 394 T CB -0.064 68.881 68.868 0.128 0.000 0.974 394 T HN 0.042 nan 8.240 nan 0.000 0.442 395 L N 1.552 122.860 121.223 0.143 0.000 2.141 395 L HA 0.168 4.509 4.340 0.001 0.000 0.209 395 L C 2.421 179.407 176.870 0.194 0.000 1.094 395 L CA 1.402 56.315 54.840 0.122 0.000 0.763 395 L CB -0.718 41.374 42.059 0.055 0.000 0.908 395 L HN 0.397 nan 8.230 nan 0.000 0.437 396 G N -2.602 106.383 108.800 0.307 0.000 3.124 396 G HA2 -0.125 3.836 3.960 0.001 0.000 0.212 396 G HA3 -0.125 3.836 3.960 0.001 0.000 0.212 396 G C 0.556 175.638 174.900 0.303 0.000 1.181 396 G CA -0.281 45.030 45.100 0.352 0.000 0.803 396 G HN 0.314 nan 8.290 nan 0.000 0.529 397 H N 1.292 120.511 119.070 0.248 0.000 2.928 397 H HA 0.043 4.600 4.556 0.001 0.000 0.338 397 H C -1.303 173.957 175.328 -0.114 0.000 1.047 397 H CA -1.073 54.986 56.048 0.018 0.000 1.435 397 H CB 1.705 31.530 29.762 0.106 0.000 1.428 397 H HN -0.030 nan 8.280 nan 0.000 0.590 398 P HA -0.146 nan 4.420 nan 0.000 0.217 398 P C 0.320 177.591 177.300 -0.048 0.000 1.148 398 P CA 1.441 64.350 63.100 -0.319 0.000 0.834 398 P CB 0.333 31.760 31.700 -0.456 0.000 0.783 399 D N -1.591 118.949 120.400 0.234 0.000 2.402 399 D HA 0.315 4.956 4.640 0.001 0.000 0.216 399 D C 1.100 177.483 176.300 0.138 0.000 1.128 399 D CA 0.497 54.613 54.000 0.192 0.000 0.833 399 D CB 0.478 41.401 40.800 0.204 0.000 0.971 399 D HN 0.109 nan 8.370 nan 0.000 0.503 400 G N 1.488 110.381 108.800 0.155 0.000 2.603 400 G HA2 -0.183 3.777 3.960 0.001 0.000 0.686 400 G HA3 -0.183 3.777 3.960 0.001 0.000 0.686 400 G C -2.312 172.620 174.900 0.054 0.000 1.286 400 G CA -0.871 44.274 45.100 0.074 0.000 0.871 400 G HN -0.153 nan 8.290 nan 0.000 0.568 401 P HA 0.009 nan 4.420 nan 0.000 0.215 401 P C 2.337 179.609 177.300 -0.048 0.000 1.157 401 P CA 2.991 66.092 63.100 0.002 0.000 0.863 401 P CB -0.070 31.615 31.700 -0.025 0.000 0.787 402 A N 0.365 123.144 122.820 -0.068 0.000 1.865 402 A HA -0.193 4.127 4.320 0.001 0.000 0.217 402 A C 2.388 179.894 177.584 -0.130 0.000 1.191 402 A CA 2.592 54.574 52.037 -0.093 0.000 0.623 402 A CB -1.752 17.199 19.000 -0.082 0.000 0.826 402 A HN 0.197 nan 8.150 nan 0.000 0.444 403 A N -0.716 121.996 122.820 -0.180 0.000 1.978 403 A HA 0.112 4.432 4.320 0.001 0.000 0.220 403 A C 2.371 179.610 177.584 -0.576 0.000 1.170 403 A CA 1.971 53.806 52.037 -0.337 0.000 0.636 403 A CB -1.336 17.456 19.000 -0.346 0.000 0.810 403 A HN 0.776 nan 8.150 nan 0.000 0.448 404 G N -0.443 108.090 108.800 -0.445 0.000 2.421 404 G HA2 0.001 3.961 3.960 0.001 0.000 0.216 404 G HA3 0.001 3.961 3.960 0.001 0.000 0.216 404 G C 1.768 176.638 174.900 -0.050 0.000 1.171 404 G CA 1.389 46.375 45.100 -0.190 0.000 0.775 404 G HN 0.789 nan 8.290 nan 0.000 0.543 405 A N 0.753 123.564 122.820 -0.015 0.000 1.902 405 A HA -0.028 4.292 4.320 0.001 0.000 0.217 405 A C 2.445 180.018 177.584 -0.018 0.000 1.181 405 A CA 1.624 53.709 52.037 0.080 0.000 0.623 405 A CB -0.380 18.663 19.000 0.072 0.000 0.818 405 A HN 0.356 nan 8.150 nan 0.000 0.443 406 R N -0.623 119.834 120.500 -0.071 0.000 2.096 406 R HA -0.076 4.265 4.340 0.001 0.000 0.235 406 R C 2.493 178.753 176.300 -0.067 0.000 1.127 406 R CA 1.141 57.201 56.100 -0.067 0.000 0.968 406 R CB -0.481 29.777 30.300 -0.071 0.000 0.861 406 R HN 0.525 nan 8.270 nan 0.000 0.440 407 A N 0.833 123.604 122.820 -0.082 0.000 1.877 407 A HA -0.122 4.199 4.320 0.001 0.000 0.216 407 A C 2.382 179.935 177.584 -0.051 0.000 1.186 407 A CA 1.456 53.492 52.037 -0.002 0.000 0.620 407 A CB -0.565 18.503 19.000 0.113 0.000 0.822 407 A HN 0.108 nan 8.150 nan 0.000 0.443 408 V N 0.236 120.061 119.914 -0.149 0.000 2.295 408 V HA -0.238 3.883 4.120 0.001 0.000 0.246 408 V C 2.710 178.585 176.094 -0.366 0.000 1.049 408 V CA 2.026 64.119 62.300 -0.345 0.000 1.024 408 V CB -0.831 30.534 31.823 -0.763 0.000 0.648 408 V HN 0.443 nan 8.190 nan 0.000 0.447 409 R N 0.051 120.370 120.500 -0.301 0.000 2.096 409 R HA -0.145 4.195 4.340 0.001 0.000 0.235 409 R C 2.267 178.477 176.300 -0.149 0.000 1.127 409 R CA 1.377 57.360 56.100 -0.194 0.000 0.968 409 R CB -0.610 29.636 30.300 -0.089 0.000 0.861 409 R HN 0.651 nan 8.270 nan 0.000 0.440 410 Q N -0.188 119.545 119.800 -0.113 0.000 2.079 410 Q HA -0.028 4.313 4.340 0.001 0.000 0.200 410 Q C 2.177 178.043 176.000 -0.222 0.000 0.974 410 Q CA 1.542 57.286 55.803 -0.099 0.000 0.840 410 Q CB -0.196 28.544 28.738 0.004 0.000 0.898 410 Q HN 0.330 nan 8.270 nan 0.000 0.430 411 A N 1.105 123.825 122.820 -0.166 0.000 1.883 411 A HA -0.209 4.112 4.320 0.001 0.000 0.217 411 A C 2.064 179.507 177.584 -0.235 0.000 1.186 411 A CA 1.363 53.292 52.037 -0.180 0.000 0.624 411 A CB -0.745 18.183 19.000 -0.119 0.000 0.822 411 A HN 0.315 nan 8.150 nan 0.000 0.444 412 I N -0.188 120.250 120.570 -0.220 0.000 2.179 412 I HA -0.258 3.913 4.170 0.001 0.000 0.242 412 I C 2.006 178.000 176.117 -0.205 0.000 1.088 412 I CA 1.550 62.737 61.300 -0.188 0.000 1.357 412 I CB -0.605 37.298 38.000 -0.162 0.000 1.051 412 I HN 0.253 nan 8.210 nan 0.000 0.409 413 D N 1.205 121.463 120.400 -0.236 0.000 2.116 413 D HA -0.214 4.427 4.640 0.001 0.000 0.193 413 D C 2.237 178.303 176.300 -0.389 0.000 0.998 413 D CA 1.843 55.692 54.000 -0.253 0.000 0.836 413 D CB -0.280 40.388 40.800 -0.220 0.000 0.951 413 D HN 0.391 nan 8.370 nan 0.000 0.449 414 A N 0.595 123.005 122.820 -0.683 0.000 1.877 414 A HA -0.137 4.184 4.320 0.001 0.000 0.216 414 A C 2.444 179.825 177.584 -0.338 0.000 1.186 414 A CA 1.050 52.626 52.037 -0.769 0.000 0.620 414 A CB -0.793 17.595 19.000 -1.021 0.000 0.822 414 A HN 0.210 nan 8.150 nan 0.000 0.443 415 I N -0.543 119.875 120.570 -0.253 0.000 2.264 415 I HA -0.309 3.862 4.170 0.001 0.000 0.248 415 I C 2.621 178.670 176.117 -0.113 0.000 1.111 415 I CA 1.504 62.716 61.300 -0.147 0.000 1.382 415 I CB -0.287 37.641 38.000 -0.120 0.000 1.060 415 I HN 0.345 nan 8.210 nan 0.000 0.418 416 M N -0.560 118.968 119.600 -0.119 0.000 2.374 416 M HA -0.193 4.287 4.480 0.001 0.000 0.264 416 M C 1.946 178.207 176.300 -0.066 0.000 1.067 416 M CA 1.537 56.791 55.300 -0.078 0.000 1.103 416 M CB -0.267 32.292 32.600 -0.069 0.000 1.402 416 M HN 0.301 nan 8.290 nan 0.000 0.444 417 Q N -0.493 119.255 119.800 -0.087 0.000 2.408 417 Q HA 0.121 4.462 4.340 0.001 0.000 0.205 417 Q C 1.114 177.091 176.000 -0.039 0.000 0.919 417 Q CA 0.538 56.309 55.803 -0.053 0.000 0.932 417 Q CB 0.614 29.324 28.738 -0.047 0.000 1.058 417 Q HN 0.708 nan 8.270 nan 0.000 0.517 418 G N 1.502 110.269 108.800 -0.055 0.000 2.132 418 G HA2 -0.246 3.715 3.960 0.001 0.000 0.234 418 G HA3 -0.246 3.715 3.960 0.001 0.000 0.234 418 G C 0.021 174.907 174.900 -0.023 0.000 0.989 418 G CA -0.257 44.822 45.100 -0.036 0.000 0.676 418 G HN 0.282 nan 8.290 nan 0.000 0.522 419 I N 1.791 122.340 120.570 -0.036 0.000 2.337 419 I HA 0.244 4.415 4.170 0.001 0.000 0.291 419 I C -1.766 174.354 176.117 0.006 0.000 1.046 419 I CA -2.156 59.150 61.300 0.011 0.000 1.324 419 I CB 1.059 39.101 38.000 0.070 0.000 1.409 419 I HN -0.141 nan 8.210 nan 0.000 0.494 420 P HA 0.005 nan 4.420 nan 0.000 0.262 420 P C 0.888 178.245 177.300 0.095 0.000 1.182 420 P CA 0.124 63.249 63.100 0.042 0.000 0.761 420 P CB 0.584 32.310 31.700 0.043 0.000 0.795 421 L N 1.925 123.209 121.223 0.102 0.000 2.079 421 L HA -0.208 4.133 4.340 0.001 0.000 0.210 421 L C 1.599 178.589 176.870 0.199 0.000 1.081 421 L CA 1.554 56.488 54.840 0.157 0.000 0.752 421 L CB -0.573 41.591 42.059 0.175 0.000 0.896 421 L HN 0.393 nan 8.230 nan 0.000 0.433 422 D N 0.292 120.807 120.400 0.192 0.000 2.149 422 D HA -0.193 4.448 4.640 0.001 0.000 0.198 422 D C 2.326 178.706 176.300 0.134 0.000 0.990 422 D CA 1.698 55.797 54.000 0.165 0.000 0.839 422 D CB 0.062 40.956 40.800 0.157 0.000 0.948 422 D HN 0.520 nan 8.370 nan 0.000 0.460 423 E N 0.133 120.415 120.200 0.137 0.000 2.051 423 E HA -0.149 4.201 4.350 0.001 0.000 0.189 423 E C 1.948 178.648 176.600 0.166 0.000 0.979 423 E CA 0.640 57.115 56.400 0.124 0.000 0.803 423 E CB -1.297 28.470 29.700 0.112 0.000 0.761 423 E HN 0.475 nan 8.360 nan 0.000 0.451 424 Y N 0.788 121.140 120.300 0.086 0.000 2.256 424 Y HA -0.028 4.523 4.550 0.001 0.000 0.288 424 Y C 2.742 178.776 175.900 0.223 0.000 1.155 424 Y CA 1.542 59.723 58.100 0.135 0.000 1.203 424 Y CB -0.198 38.285 38.460 0.037 0.000 0.980 424 Y HN 0.327 nan 8.280 nan 0.000 0.530 425 A N 0.082 123.046 122.820 0.241 0.000 2.019 425 A HA -0.200 4.121 4.320 0.001 0.000 0.219 425 A C 2.112 179.742 177.584 0.078 0.000 1.164 425 A CA 1.652 53.791 52.037 0.169 0.000 0.644 425 A CB -0.484 18.597 19.000 0.134 0.000 0.805 425 A HN 0.501 nan 8.150 nan 0.000 0.449 426 K N -0.508 119.919 120.400 0.045 0.000 2.160 426 K HA -0.130 4.191 4.320 0.001 0.000 0.206 426 K C 1.483 178.036 176.600 -0.078 0.000 1.047 426 K CA 1.731 58.012 56.287 -0.009 0.000 0.930 426 K CB -0.260 32.237 32.500 -0.005 0.000 0.720 426 K HN 0.711 nan 8.250 nan 0.000 0.450 427 T N -2.780 111.680 114.554 -0.158 0.000 3.129 427 T HA 0.128 4.479 4.350 0.001 0.000 0.267 427 T C -0.346 173.962 174.700 -0.654 0.000 1.018 427 T CA -0.561 61.318 62.100 -0.368 0.000 0.903 427 T CB -0.042 68.555 68.868 -0.452 0.000 1.067 427 T HN 0.063 nan 8.240 nan 0.000 0.549 428 H N 0.125 119.102 119.070 -0.155 0.000 3.092 428 H HA 0.603 5.160 4.556 0.001 0.000 0.308 428 H C 1.169 176.485 175.328 -0.020 0.000 1.047 428 H CA -0.328 55.663 56.048 -0.096 0.000 1.466 428 H CB 1.523 31.227 29.762 -0.097 0.000 1.597 428 H HN 0.111 nan 8.280 nan 0.000 0.512 429 K N 2.334 122.766 120.400 0.053 0.000 2.001 429 K HA -0.211 4.109 4.320 0.001 0.000 0.214 429 K C 1.718 178.378 176.600 0.100 0.000 1.050 429 K CA 2.204 58.520 56.287 0.049 0.000 0.934 429 K CB -0.576 31.936 32.500 0.020 0.000 0.718 429 K HN 0.659 nan 8.250 nan 0.000 0.443 430 E N 0.290 120.557 120.200 0.111 0.000 2.065 430 E HA -0.190 4.161 4.350 0.001 0.000 0.201 430 E C 2.029 178.780 176.600 0.250 0.000 1.016 430 E CA 1.463 57.956 56.400 0.157 0.000 0.818 430 E CB -0.419 29.291 29.700 0.016 0.000 0.749 430 E HN 0.399 nan 8.360 nan 0.000 0.453 431 L N 0.587 121.921 121.223 0.185 0.000 2.012 431 L HA -0.166 4.175 4.340 0.001 0.000 0.210 431 L C 2.106 179.062 176.870 0.143 0.000 1.073 431 L CA 2.234 57.181 54.840 0.179 0.000 0.748 431 L CB -0.994 41.178 42.059 0.187 0.000 0.891 431 L HN 0.145 nan 8.230 nan 0.000 0.431 432 A N -0.507 122.383 122.820 0.116 0.000 1.883 432 A HA -0.229 4.091 4.320 0.001 0.000 0.217 432 A C 2.358 179.945 177.584 0.006 0.000 1.186 432 A CA 1.788 53.860 52.037 0.058 0.000 0.624 432 A CB -0.568 18.457 19.000 0.041 0.000 0.822 432 A HN 0.463 nan 8.150 nan 0.000 0.444 433 R N -0.520 119.987 120.500 0.012 0.000 2.096 433 R HA -0.081 4.260 4.340 0.001 0.000 0.235 433 R C 2.447 178.572 176.300 -0.292 0.000 1.127 433 R CA 1.357 57.384 56.100 -0.121 0.000 0.968 433 R CB -1.043 29.214 30.300 -0.071 0.000 0.861 433 R HN 0.556 nan 8.270 nan 0.000 0.440 434 A N 1.368 124.108 122.820 -0.134 0.000 1.877 434 A HA -0.112 4.208 4.320 0.001 0.000 0.216 434 A C 2.366 179.910 177.584 -0.066 0.000 1.186 434 A CA 1.131 53.102 52.037 -0.108 0.000 0.620 434 A CB -0.632 18.556 19.000 0.314 0.000 0.822 434 A HN 0.196 nan 8.150 nan 0.000 0.443 435 L N -0.706 120.514 121.223 -0.005 0.000 2.131 435 L HA -0.188 4.152 4.340 0.001 0.000 0.210 435 L C 2.599 179.403 176.870 -0.111 0.000 1.092 435 L CA 1.599 56.411 54.840 -0.047 0.000 0.759 435 L CB -0.487 41.538 42.059 -0.056 0.000 0.903 435 L HN 0.587 nan 8.230 nan 0.000 0.435 436 E N 0.759 120.869 120.200 -0.150 0.000 2.110 436 E HA -0.276 4.075 4.350 0.001 0.000 0.193 436 E C 2.181 178.631 176.600 -0.250 0.000 0.988 436 E CA 1.302 57.599 56.400 -0.170 0.000 0.804 436 E CB 0.188 29.787 29.700 -0.169 0.000 0.745 436 E HN 0.381 nan 8.360 nan 0.000 0.458 437 K N -0.777 119.369 120.400 -0.424 0.000 2.098 437 K HA -0.070 4.250 4.320 0.001 0.000 0.203 437 K C 1.486 177.774 176.600 -0.520 0.000 1.051 437 K CA 1.040 56.950 56.287 -0.628 0.000 0.957 437 K CB 0.108 31.913 32.500 -1.159 0.000 0.738 437 K HN 0.177 nan 8.250 nan 0.000 0.447 438 W N 0.663 121.823 121.300 -0.234 0.000 2.940 438 W HA 0.312 4.973 4.660 0.001 0.000 0.297 438 W C 1.115 177.498 176.519 -0.226 0.000 1.149 438 W CA 0.478 57.606 57.345 -0.360 0.000 1.564 438 W CB -0.356 28.613 29.460 -0.819 0.000 1.010 438 W HN 0.441 nan 8.180 nan 0.000 0.578 439 G N 1.850 110.661 108.800 0.019 0.000 2.622 439 G HA2 -0.330 3.630 3.960 0.001 0.000 0.307 439 G HA3 -0.330 3.630 3.960 0.001 0.000 0.307 439 G C 0.336 175.177 174.900 -0.098 0.000 1.226 439 G CA 1.065 46.128 45.100 -0.061 0.000 0.997 439 G HN 0.449 nan 8.290 nan 0.000 0.551 440 H N 0.361 119.566 119.070 0.224 0.000 2.510 440 H HA 0.371 4.927 4.556 0.001 0.000 0.266 440 H C 1.008 176.461 175.328 0.208 0.000 1.146 440 H CA 0.430 56.606 56.048 0.213 0.000 0.993 440 H CB -0.196 29.626 29.762 0.101 0.000 1.727 440 H HN 0.675 nan 8.280 nan 0.000 0.590 441 V N -0.018 120.100 119.914 0.341 0.000 2.811 441 V HA 0.243 4.363 4.120 0.001 0.000 0.302 441 V C 0.646 176.899 176.094 0.264 0.000 1.063 441 V CA -0.283 62.162 62.300 0.243 0.000 1.088 441 V CB 1.365 33.284 31.823 0.160 0.000 0.982 441 V HN 0.098 nan 8.190 nan 0.000 0.485 442 T N 6.616 121.259 114.554 0.147 0.000 2.762 442 T HA 0.426 4.776 4.350 0.001 0.000 0.303 442 T C -2.282 172.467 174.700 0.082 0.000 0.977 442 T CA -0.518 61.642 62.100 0.100 0.000 0.961 442 T CB 0.601 69.505 68.868 0.060 0.000 0.944 442 T HN 0.792 nan 8.240 nan 0.000 0.481 443 P HA 0.325 nan 4.420 nan 0.000 0.268 443 P C -0.642 176.681 177.300 0.038 0.000 1.205 443 P CA -0.254 62.874 63.100 0.048 0.000 0.771 443 P CB 0.665 32.380 31.700 0.025 0.000 0.858 444 V N 0.000 119.935 119.914 0.035 0.000 2.409 444 V HA 0.000 4.121 4.120 0.001 0.000 0.244 444 V CA 0.000 62.318 62.300 0.030 0.000 1.235 444 V CB 0.000 31.841 31.823 0.030 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556