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 2io8_1_A DATA FIRST_RESID 10 DATA SEQUENCE APFGTLLGYA PGGVAIYSSD YSXXXXXXXX DDAVFRSYID DEYMGHKWQC DATA SEQUENCE VEFARRFLFL NYGVVFTDVG MAWEIFSLRF LREVVNDNIL PLQAFPNGSP DATA SEQUENCE RAPVAGALLI WDKGGEFKDT GHVAIITQLH GNKVRIAEQN VIHSPLPQGQ DATA SEQUENCE QWTRELEMVV ENGCYTLKDT FDDTTILGWM IQTEDTEYSL PQPEIAGELL DATA SEQUENCE KISGARLENK GQFDGKWLDE KDPLQNAYVQ ANGQVINQDP YHYYTITESA DATA SEQUENCE EQELIKATNE LHLMYLHATD KVLKDDNLLA LFDIPKILWP RLRLSWQRRR DATA SEQUENCE HHMITGRMDF CMDERGLKVY EYNADSASCH TEAGLILERW AEQGYKGNGF DATA SEQUENCE NPAEGLINEL AGAWKHSRAR PFVHIMQDKD IEENYHAQFM EQALHQAGFE DATA SEQUENCE TRILRGLDEL GWDAAGQLID GEGRLVNCVW KTWAWETAFD QIREVXXXEF DATA SEQUENCE AAVPIRTGHP QNEVRLIDVL LRPEVLVFEP LWTVIPGNKA ILPILWSLFP DATA SEQUENCE HHRYLLDTDF TVNDELVKTG YAVKPIAGRC GSNIDLVSHH EEVLDKTSGK DATA SEQUENCE FAEQKNIYQQ LWCLPKVDGK YIQVCTFTVG GNYGGTCLRG DESLVIKKES DATA SEQUENCE DIEPLIVVK 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.616 177.584 0.053 0.000 1.274 10 A CA 0.000 52.056 52.037 0.031 0.000 0.836 10 A CB 0.000 19.002 19.000 0.004 0.000 0.831 11 P HA 0.253 nan 4.420 nan 0.000 0.270 11 P C -0.276 177.107 177.300 0.137 0.000 1.216 11 P CA 0.141 63.303 63.100 0.103 0.000 0.788 11 P CB 0.140 31.894 31.700 0.091 0.000 0.883 12 F N 1.205 121.192 119.950 0.061 0.000 2.538 12 F HA 0.346 4.886 4.527 0.021 0.000 0.371 12 F C 1.421 177.294 175.800 0.122 0.000 1.087 12 F CA 1.423 59.477 58.000 0.089 0.000 1.250 12 F CB -0.261 38.793 39.000 0.090 0.000 1.110 12 F HN 0.614 nan 8.300 nan 0.000 0.570 13 G N 3.107 111.513 108.800 -0.658 0.000 2.176 13 G HA2 -0.270 3.704 3.960 0.023 0.000 0.253 13 G HA3 -0.270 3.704 3.960 0.023 0.000 0.253 13 G C 0.369 175.114 174.900 -0.259 0.000 0.979 13 G CA 0.213 44.991 45.100 -0.538 0.000 0.641 13 G HN 1.066 nan 8.290 nan 0.000 0.530 14 T N 0.894 115.366 114.554 -0.136 0.000 2.897 14 T HA 0.524 4.887 4.350 0.023 0.000 0.294 14 T C 0.699 175.343 174.700 -0.093 0.000 1.004 14 T CA -0.529 61.529 62.100 -0.069 0.000 1.106 14 T CB 0.891 69.734 68.868 -0.043 0.000 0.949 14 T HN 0.771 nan 8.240 nan 0.000 0.520 15 L N 6.246 127.410 121.223 -0.099 0.000 2.410 15 L HA 0.277 4.631 4.340 0.023 0.000 0.273 15 L C 0.386 177.058 176.870 -0.330 0.000 1.144 15 L CA 0.220 54.858 54.840 -0.336 0.000 0.863 15 L CB 0.144 42.008 42.059 -0.325 0.000 1.140 15 L HN 0.891 nan 8.230 nan 0.000 0.463 16 L N 5.125 126.090 121.223 -0.431 0.000 2.638 16 L HA 0.413 4.767 4.340 0.023 0.000 0.232 16 L C 0.959 177.623 176.870 -0.343 0.000 1.099 16 L CA 0.382 55.028 54.840 -0.322 0.000 0.883 16 L CB 0.138 42.017 42.059 -0.300 0.000 1.136 16 L HN 0.868 nan 8.230 nan 0.000 0.492 17 G N -0.975 107.520 108.800 -0.508 0.000 2.339 17 G HA2 0.130 4.104 3.960 0.023 0.000 0.275 17 G HA3 0.130 4.104 3.960 0.023 0.000 0.275 17 G C -2.104 172.377 174.900 -0.697 0.000 1.323 17 G CA -0.770 44.071 45.100 -0.431 0.000 0.927 17 G HN -0.161 nan 8.290 nan 0.000 0.486 18 Y N -0.096 120.113 120.300 -0.151 0.000 2.524 18 Y HA 0.757 5.320 4.550 0.023 0.000 0.347 18 Y C 0.719 176.630 175.900 0.019 0.000 1.005 18 Y CA -0.053 58.002 58.100 -0.074 0.000 1.025 18 Y CB 2.155 40.583 38.460 -0.053 0.000 1.275 18 Y HN 1.003 nan 8.280 nan 0.000 0.460 19 A N 2.529 125.537 122.820 0.314 0.000 2.242 19 A HA 0.744 5.078 4.320 0.023 0.000 0.304 19 A C -2.727 175.091 177.584 0.391 0.000 1.100 19 A CA -2.065 50.211 52.037 0.398 0.000 0.860 19 A CB 0.004 19.434 19.000 0.718 0.000 1.168 19 A HN 0.495 nan 8.150 nan 0.000 0.503 20 P HA 0.183 nan 4.420 nan 0.000 0.264 20 P C 0.920 178.298 177.300 0.129 0.000 1.179 20 P CA 2.312 65.581 63.100 0.282 0.000 0.763 20 P CB 0.395 32.301 31.700 0.343 0.000 0.806 21 G N 2.209 111.020 108.800 0.018 0.000 2.179 21 G HA2 -0.118 3.856 3.960 0.023 0.000 0.260 21 G HA3 -0.118 3.856 3.960 0.023 0.000 0.260 21 G C 0.745 175.586 174.900 -0.098 0.000 0.977 21 G CA 0.328 45.368 45.100 -0.101 0.000 0.641 21 G HN 1.105 nan 8.290 nan 0.000 0.533 22 G N -2.142 106.646 108.800 -0.020 0.000 2.165 22 G HA2 0.079 4.053 3.960 0.023 0.000 0.226 22 G HA3 0.079 4.053 3.960 0.023 0.000 0.226 22 G C 0.141 175.136 174.900 0.158 0.000 1.035 22 G CA 0.374 45.458 45.100 -0.027 0.000 0.744 22 G HN 1.619 nan 8.290 nan 0.000 0.501 23 V N 1.110 121.154 119.914 0.215 0.000 2.334 23 V HA 0.677 4.811 4.120 0.023 0.000 0.267 23 V C 1.138 177.410 176.094 0.297 0.000 1.040 23 V CA -0.332 62.106 62.300 0.230 0.000 0.866 23 V CB 0.816 32.730 31.823 0.152 0.000 1.019 23 V HN 1.183 nan 8.190 nan 0.000 0.468 24 A N 6.598 129.476 122.820 0.097 0.000 2.520 24 A HA 0.511 4.845 4.320 0.023 0.000 0.235 24 A C -0.172 177.120 177.584 -0.488 0.000 1.065 24 A CA 0.244 51.959 52.037 -0.537 0.000 0.764 24 A CB -0.034 18.474 19.000 -0.820 0.000 1.002 24 A HN 0.788 nan 8.150 nan 0.000 0.502 25 I N 1.959 122.050 120.570 -0.799 0.000 2.411 25 I HA 0.332 4.516 4.170 0.023 0.000 0.284 25 I C -1.139 174.473 176.117 -0.842 0.000 1.012 25 I CA -0.196 60.713 61.300 -0.651 0.000 1.119 25 I CB 1.088 38.743 38.000 -0.574 0.000 1.261 25 I HN 0.641 nan 8.210 nan 0.000 0.448 26 Y N 3.076 123.053 120.300 -0.538 0.000 2.496 26 Y HA 0.404 4.968 4.550 0.023 0.000 0.331 26 Y C 0.861 176.486 175.900 -0.458 0.000 1.140 26 Y CA -0.708 56.990 58.100 -0.670 0.000 1.166 26 Y CB 1.580 39.234 38.460 -1.343 0.000 1.249 26 Y HN 0.451 nan 8.280 nan 0.000 0.479 27 S N 0.479 116.058 115.700 -0.201 0.000 2.549 27 S HA 0.105 4.589 4.470 0.023 0.000 0.279 27 S C 0.462 175.078 174.600 0.027 0.000 1.321 27 S CA -0.296 57.878 58.200 -0.044 0.000 1.054 27 S CB 0.419 63.630 63.200 0.019 0.000 0.899 27 S HN 0.654 nan 8.310 nan 0.000 0.497 28 S N 3.022 118.925 115.700 0.340 0.000 2.526 28 S HA 0.198 4.682 4.470 0.023 0.000 0.245 28 S C -0.529 174.160 174.600 0.149 0.000 1.103 28 S CA -0.610 57.746 58.200 0.261 0.000 1.095 28 S CB -0.354 63.030 63.200 0.308 0.000 0.826 28 S HN 0.822 nan 8.310 nan 0.000 0.468 29 D N 0.861 121.358 120.400 0.163 0.000 2.422 29 D HA 0.171 4.825 4.640 0.023 0.000 0.227 29 D C 0.568 176.953 176.300 0.142 0.000 1.190 29 D CA -0.277 53.708 54.000 -0.025 0.000 0.905 29 D CB 0.184 40.935 40.800 -0.083 0.000 1.034 29 D HN 0.306 nan 8.370 nan 0.000 0.507 30 Y N 1.503 121.954 120.300 0.253 0.000 2.465 30 Y HA -0.129 4.435 4.550 0.023 0.000 0.289 30 Y C 1.773 177.702 175.900 0.049 0.000 1.150 30 Y CA 0.489 58.653 58.100 0.107 0.000 1.293 30 Y CB -0.622 37.870 38.460 0.053 0.000 0.977 30 Y HN 0.276 nan 8.280 nan 0.000 0.556 41 D N -0.418 120.063 120.400 0.135 0.000 2.368 41 D HA 0.421 5.075 4.640 0.023 0.000 0.250 41 D C 1.957 178.439 176.300 0.303 0.000 1.142 41 D CA 1.685 55.822 54.000 0.227 0.000 0.925 41 D CB -0.251 40.549 40.800 -0.000 0.000 0.896 41 D HN 1.183 nan 8.370 nan 0.000 0.525 42 A N 0.117 123.091 122.820 0.257 0.000 1.969 42 A HA 0.131 4.465 4.320 0.023 0.000 0.218 42 A C 2.609 180.356 177.584 0.272 0.000 1.169 42 A CA 1.897 54.128 52.037 0.325 0.000 0.635 42 A CB -0.535 18.619 19.000 0.257 0.000 0.810 42 A HN 1.140 nan 8.150 nan 0.000 0.445 43 V N -4.440 115.578 119.914 0.173 0.000 2.970 43 V HA -0.049 4.085 4.120 0.023 0.000 0.260 43 V C 1.932 177.931 176.094 -0.158 0.000 1.100 43 V CA 1.434 63.743 62.300 0.015 0.000 1.122 43 V CB -1.196 30.587 31.823 -0.067 0.000 0.721 43 V HN 0.343 nan 8.190 nan 0.000 0.483 44 F N 0.605 120.497 119.950 -0.097 0.000 2.512 44 F HA 0.304 4.844 4.527 0.021 0.000 0.296 44 F C 1.790 177.354 175.800 -0.392 0.000 1.110 44 F CA 0.013 57.828 58.000 -0.308 0.000 1.446 44 F CB -0.079 38.618 39.000 -0.506 0.000 1.092 44 F HN 0.034 nan 8.300 nan 0.000 0.554 45 R N 0.589 121.076 120.500 -0.022 0.000 2.537 45 R HA 0.212 4.566 4.340 0.023 0.000 0.280 45 R C 0.220 176.482 176.300 -0.063 0.000 1.058 45 R CA 0.032 56.138 56.100 0.010 0.000 1.057 45 R CB 0.794 31.161 30.300 0.112 0.000 0.973 45 R HN -0.015 nan 8.270 nan 0.000 0.438 46 S N 3.129 118.694 115.700 -0.225 0.000 2.498 46 S HA 0.469 4.953 4.470 0.023 0.000 0.317 46 S C -1.279 173.179 174.600 -0.237 0.000 1.090 46 S CA -0.632 57.451 58.200 -0.195 0.000 1.089 46 S CB 0.518 63.531 63.200 -0.312 0.000 0.997 46 S HN 0.447 nan 8.310 nan 0.000 0.470 47 Y N 2.681 122.970 120.300 -0.019 0.000 2.659 47 Y HA 0.702 5.263 4.550 0.018 0.000 0.333 47 Y C -0.041 175.875 175.900 0.026 0.000 1.064 47 Y CA -1.154 56.937 58.100 -0.014 0.000 1.141 47 Y CB 1.669 40.140 38.460 0.019 0.000 1.316 47 Y HN 0.580 nan 8.280 nan 0.000 0.509 48 I N 1.912 122.610 120.570 0.214 0.000 2.540 48 I HA 0.168 4.352 4.170 0.023 0.000 0.280 48 I C -1.043 175.190 176.117 0.194 0.000 1.083 48 I CA -0.211 61.218 61.300 0.215 0.000 1.080 48 I CB 0.903 39.089 38.000 0.311 0.000 1.205 48 I HN 0.734 nan 8.210 nan 0.000 0.459 49 D N 3.049 123.541 120.400 0.153 0.000 3.775 49 D HA -0.238 4.416 4.640 0.023 0.000 0.161 49 D C 0.335 176.657 176.300 0.037 0.000 1.031 49 D CA 1.198 55.255 54.000 0.095 0.000 1.081 49 D CB -0.217 40.657 40.800 0.123 0.000 0.557 49 D HN 0.512 nan 8.370 nan 0.000 0.607 50 D N 1.358 121.728 120.400 -0.050 0.000 2.339 50 D HA 0.037 4.691 4.640 0.023 0.000 0.217 50 D C 0.081 176.271 176.300 -0.182 0.000 1.050 50 D CA 0.521 54.386 54.000 -0.225 0.000 0.856 50 D CB 0.115 40.593 40.800 -0.536 0.000 0.922 50 D HN 0.146 nan 8.370 nan 0.000 0.518 51 E N 0.712 120.876 120.200 -0.059 0.000 2.167 51 E HA 0.049 4.413 4.350 0.023 0.000 0.284 51 E C -0.505 176.059 176.600 -0.059 0.000 1.016 51 E CA -0.669 55.643 56.400 -0.146 0.000 0.817 51 E CB 1.111 30.453 29.700 -0.597 0.000 1.080 51 E HN 0.139 nan 8.360 nan 0.000 0.397 52 Y N 4.045 124.181 120.300 -0.275 0.000 2.402 52 Y HA -0.021 4.549 4.550 0.033 0.000 0.333 52 Y C 0.905 176.539 175.900 -0.444 0.000 1.076 52 Y CA 0.230 57.924 58.100 -0.676 0.000 1.299 52 Y CB 0.491 38.623 38.460 -0.547 0.000 1.197 52 Y HN 0.458 nan 8.280 nan 0.000 0.517 53 M N 4.060 123.096 119.600 -0.940 0.000 2.657 53 M HA 0.341 4.835 4.480 0.023 0.000 0.262 53 M C 0.896 176.713 176.300 -0.805 0.000 1.213 53 M CA 1.109 56.007 55.300 -0.670 0.000 1.182 53 M CB -0.281 32.122 32.600 -0.330 0.000 1.303 53 M HN 0.848 nan 8.290 nan 0.000 0.501 54 G N -1.241 106.850 108.800 -1.181 0.000 2.351 54 G HA2 0.068 4.042 3.960 0.023 0.000 0.279 54 G HA3 0.068 4.042 3.960 0.023 0.000 0.279 54 G C -1.596 173.103 174.900 -0.334 0.000 1.297 54 G CA -0.794 43.867 45.100 -0.731 0.000 0.886 54 G HN 0.297 nan 8.290 nan 0.000 0.493 55 H N 1.375 120.396 119.070 -0.081 0.000 2.527 55 H HA 0.405 4.973 4.556 0.020 0.000 0.321 55 H C 0.112 175.421 175.328 -0.031 0.000 1.087 55 H CA 0.017 56.089 56.048 0.039 0.000 1.337 55 H CB 1.006 30.854 29.762 0.143 0.000 1.440 55 H HN 0.347 nan 8.280 nan 0.000 0.490 56 K N 4.415 124.653 120.400 -0.270 0.000 2.368 56 K HA -0.029 4.305 4.320 0.023 0.000 0.282 56 K C -0.611 176.125 176.600 0.228 0.000 1.035 56 K CA 0.330 56.172 56.287 -0.743 0.000 0.973 56 K CB 0.815 32.322 32.500 -1.655 0.000 0.957 56 K HN 0.496 nan 8.250 nan 0.000 0.474 57 W N 2.812 124.380 121.300 0.446 0.000 2.148 57 W HA 0.201 4.878 4.660 0.027 0.000 0.288 57 W C 0.004 176.664 176.519 0.236 0.000 0.920 57 W CA -0.640 56.822 57.345 0.196 0.000 1.904 57 W CB 0.976 30.419 29.460 -0.029 0.000 2.083 57 W HN 0.495 nan 8.180 nan 0.000 0.398 58 Q N -0.092 119.966 119.800 0.430 0.000 2.396 58 Q HA 0.096 4.450 4.340 0.023 0.000 0.221 58 Q C 1.708 177.900 176.000 0.320 0.000 1.025 58 Q CA 0.109 56.126 55.803 0.357 0.000 0.946 58 Q CB 1.006 29.929 28.738 0.308 0.000 1.224 58 Q HN 0.594 nan 8.270 nan 0.000 0.539 59 C N -1.156 118.305 119.300 0.268 0.000 2.425 59 C HA -0.064 4.410 4.460 0.023 0.000 0.277 59 C C 2.020 177.152 174.990 0.236 0.000 1.280 59 C CA 0.405 59.560 59.018 0.229 0.000 1.744 59 C CB -1.111 26.717 27.740 0.148 0.000 1.989 59 C HN 0.667 nan 8.230 nan 0.000 0.491 60 V N 1.446 121.490 119.914 0.217 0.000 2.358 60 V HA -0.165 3.969 4.120 0.023 0.000 0.246 60 V C 3.105 179.346 176.094 0.246 0.000 1.047 60 V CA 2.276 64.728 62.300 0.253 0.000 1.035 60 V CB -0.889 31.069 31.823 0.225 0.000 0.658 60 V HN 0.583 nan 8.190 nan 0.000 0.452 61 E N 0.218 120.539 120.200 0.200 0.000 2.085 61 E HA -0.267 4.097 4.350 0.023 0.000 0.194 61 E C 2.120 178.854 176.600 0.224 0.000 0.994 61 E CA 1.793 58.276 56.400 0.137 0.000 0.801 61 E CB -0.276 29.528 29.700 0.174 0.000 0.743 61 E HN 0.563 nan 8.360 nan 0.000 0.453 62 F N 1.131 121.206 119.950 0.208 0.000 2.113 62 F HA -0.079 4.462 4.527 0.024 0.000 0.297 62 F C 2.244 178.176 175.800 0.221 0.000 1.103 62 F CA 1.741 59.866 58.000 0.208 0.000 1.248 62 F CB -0.684 38.413 39.000 0.162 0.000 0.999 62 F HN 0.063 nan 8.300 nan 0.000 0.475 63 A N 0.856 123.748 122.820 0.121 0.000 1.873 63 A HA -0.268 4.066 4.320 0.023 0.000 0.218 63 A C 2.437 180.109 177.584 0.146 0.000 1.193 63 A CA 2.091 54.206 52.037 0.130 0.000 0.629 63 A CB -1.005 18.201 19.000 0.343 0.000 0.826 63 A HN 0.502 nan 8.150 nan 0.000 0.447 64 R N -0.686 119.855 120.500 0.068 0.000 2.075 64 R HA -0.124 4.230 4.340 0.023 0.000 0.232 64 R C 2.458 178.696 176.300 -0.103 0.000 1.126 64 R CA 1.616 57.568 56.100 -0.247 0.000 0.963 64 R CB -0.278 29.697 30.300 -0.541 0.000 0.858 64 R HN 0.543 nan 8.270 nan 0.000 0.435 65 R N -0.541 119.919 120.500 -0.066 0.000 2.096 65 R HA -0.164 4.190 4.340 0.023 0.000 0.235 65 R C 2.053 178.327 176.300 -0.042 0.000 1.127 65 R CA 1.695 57.799 56.100 0.007 0.000 0.968 65 R CB -0.415 29.922 30.300 0.062 0.000 0.861 65 R HN 0.290 nan 8.270 nan 0.000 0.440 66 F N 0.888 120.635 119.950 -0.338 0.000 2.113 66 F HA -0.121 4.419 4.527 0.021 0.000 0.297 66 F C 1.688 177.341 175.800 -0.246 0.000 1.103 66 F CA 1.420 59.192 58.000 -0.381 0.000 1.248 66 F CB -0.014 38.616 39.000 -0.616 0.000 0.999 66 F HN -0.026 nan 8.300 nan 0.000 0.475 67 L N -1.078 120.227 121.223 0.137 0.000 2.093 67 L HA -0.186 4.168 4.340 0.023 0.000 0.208 67 L C 2.368 179.290 176.870 0.087 0.000 1.085 67 L CA 1.107 56.060 54.840 0.188 0.000 0.755 67 L CB -0.978 41.278 42.059 0.328 0.000 0.904 67 L HN 0.234 nan 8.230 nan 0.000 0.435 68 F N 1.064 120.954 119.950 -0.101 0.000 2.128 68 F HA -0.138 4.408 4.527 0.031 0.000 0.295 68 F C 2.216 177.936 175.800 -0.134 0.000 1.100 68 F CA 1.353 59.299 58.000 -0.090 0.000 1.260 68 F CB -0.285 38.659 39.000 -0.093 0.000 1.009 68 F HN -0.153 nan 8.300 nan 0.000 0.476 69 L N -0.059 120.987 121.223 -0.295 0.000 2.093 69 L HA -0.216 4.138 4.340 0.023 0.000 0.208 69 L C 1.775 178.358 176.870 -0.478 0.000 1.085 69 L CA 1.931 56.511 54.840 -0.434 0.000 0.755 69 L CB -0.702 41.178 42.059 -0.300 0.000 0.904 69 L HN 0.216 nan 8.230 nan 0.000 0.435 70 N N -2.061 116.258 118.700 -0.634 0.000 2.409 70 N HA -0.027 4.727 4.740 0.023 0.000 0.174 70 N C 0.740 175.937 175.510 -0.521 0.000 1.037 70 N CA 0.500 53.102 53.050 -0.747 0.000 0.898 70 N CB 0.356 38.056 38.487 -1.312 0.000 1.010 70 N HN 0.306 nan 8.380 nan 0.000 0.445 71 Y N -1.596 118.630 120.300 -0.124 0.000 2.563 71 Y HA 0.346 4.909 4.550 0.021 0.000 0.250 71 Y C 1.239 177.121 175.900 -0.030 0.000 1.126 71 Y CA -0.489 57.584 58.100 -0.045 0.000 1.231 71 Y CB 1.163 39.638 38.460 0.025 0.000 1.288 71 Y HN -0.075 nan 8.280 nan 0.000 0.537 72 G N 1.936 110.745 108.800 0.015 0.000 2.225 72 G HA2 -0.248 3.726 3.960 0.023 0.000 0.267 72 G HA3 -0.248 3.726 3.960 0.023 0.000 0.267 72 G C -0.105 174.923 174.900 0.213 0.000 1.024 72 G CA 0.574 45.693 45.100 0.030 0.000 0.784 72 G HN 0.491 nan 8.290 nan 0.000 0.507 73 V N -3.996 116.073 119.914 0.259 0.000 3.074 73 V HA 0.962 5.096 4.120 0.023 0.000 0.314 73 V C -0.030 176.182 176.094 0.196 0.000 1.117 73 V CA -0.640 61.799 62.300 0.232 0.000 1.014 73 V CB 2.212 34.157 31.823 0.203 0.000 1.057 73 V HN 1.410 nan 8.190 nan 0.000 0.438 74 V N 2.290 122.260 119.914 0.092 0.000 3.178 74 V HA 0.792 4.926 4.120 0.023 0.000 0.302 74 V C -1.333 174.702 176.094 -0.098 0.000 1.262 74 V CA -0.703 61.535 62.300 -0.103 0.000 1.030 74 V CB 2.274 33.980 31.823 -0.195 0.000 1.074 74 V HN 1.290 nan 8.190 nan 0.000 0.438 75 F N 1.686 121.623 119.950 -0.021 0.000 2.470 75 F HA 0.854 5.391 4.527 0.017 0.000 0.329 75 F C 0.615 176.379 175.800 -0.060 0.000 1.072 75 F CA -0.339 57.592 58.000 -0.116 0.000 0.989 75 F CB 0.491 39.412 39.000 -0.132 0.000 1.193 75 F HN 0.704 nan 8.300 nan 0.000 0.481 76 T N -1.382 113.249 114.554 0.129 0.000 2.724 76 T HA 0.067 4.430 4.350 0.023 0.000 0.324 76 T C -0.216 174.617 174.700 0.222 0.000 1.071 76 T CA -0.510 61.695 62.100 0.176 0.000 1.061 76 T CB 0.323 69.334 68.868 0.239 0.000 0.990 76 T HN 0.774 nan 8.240 nan 0.000 0.543 77 D N 0.228 120.740 120.400 0.186 0.000 2.455 77 D HA 0.319 4.973 4.640 0.023 0.000 0.241 77 D C -0.056 176.331 176.300 0.144 0.000 1.138 77 D CA -0.010 54.101 54.000 0.184 0.000 0.877 77 D CB 0.301 41.200 40.800 0.165 0.000 1.187 77 D HN 0.702 nan 8.370 nan 0.000 0.451 78 V N 1.041 121.029 119.914 0.123 0.000 2.962 78 V HA 0.761 4.894 4.120 0.023 0.000 0.313 78 V C 1.198 177.286 176.094 -0.010 0.000 1.099 78 V CA -0.274 62.034 62.300 0.013 0.000 0.971 78 V CB 1.395 33.190 31.823 -0.046 0.000 1.028 78 V HN 0.525 nan 8.190 nan 0.000 0.430 79 G N 1.888 110.636 108.800 -0.088 0.000 2.395 79 G HA2 0.162 4.136 3.960 0.023 0.000 0.214 79 G HA3 0.162 4.136 3.960 0.023 0.000 0.214 79 G C 0.531 175.389 174.900 -0.071 0.000 1.177 79 G CA 0.632 45.696 45.100 -0.060 0.000 0.794 79 G HN 0.514 nan 8.290 nan 0.000 0.532 80 M N -0.943 118.537 119.600 -0.200 0.000 2.591 80 M HA 0.584 5.078 4.480 0.023 0.000 0.306 80 M C 1.317 177.463 176.300 -0.256 0.000 1.190 80 M CA -1.192 54.004 55.300 -0.173 0.000 0.889 80 M CB 1.495 34.013 32.600 -0.136 0.000 1.728 80 M HN 0.091 nan 8.290 nan 0.000 0.458 81 A N 2.381 125.158 122.820 -0.072 0.000 1.917 81 A HA -0.138 4.196 4.320 0.023 0.000 0.219 81 A C 1.733 179.284 177.584 -0.056 0.000 1.182 81 A CA 2.120 54.129 52.037 -0.047 0.000 0.633 81 A CB -0.914 18.107 19.000 0.034 0.000 0.819 81 A HN 0.958 nan 8.150 nan 0.000 0.448 82 W N 0.539 121.865 121.300 0.042 0.000 2.387 82 W HA -0.158 4.523 4.660 0.035 0.000 0.272 82 W C 1.027 177.582 176.519 0.060 0.000 1.224 82 W CA 1.148 58.524 57.345 0.052 0.000 1.210 82 W CB -0.860 28.638 29.460 0.062 0.000 1.125 82 W HN 0.516 nan 8.180 nan 0.000 0.572 83 E N 1.143 120.915 120.200 -0.715 0.000 2.268 83 E HA -0.133 4.230 4.350 0.023 0.000 0.195 83 E C 2.148 178.607 176.600 -0.235 0.000 0.995 83 E CA 1.219 57.237 56.400 -0.637 0.000 0.836 83 E CB -0.335 28.877 29.700 -0.813 0.000 0.763 83 E HN 0.342 nan 8.360 nan 0.000 0.491 84 I N 0.579 121.026 120.570 -0.206 0.000 2.335 84 I HA -0.267 3.916 4.170 0.023 0.000 0.251 84 I C 2.108 178.173 176.117 -0.086 0.000 1.129 84 I CA 0.872 62.028 61.300 -0.239 0.000 1.402 84 I CB -0.224 37.524 38.000 -0.419 0.000 1.069 84 I HN 0.084 nan 8.210 nan 0.000 0.424 85 F N 1.292 121.174 119.950 -0.113 0.000 2.333 85 F HA -0.183 4.357 4.527 0.022 0.000 0.300 85 F C 2.445 178.211 175.800 -0.056 0.000 1.083 85 F CA 1.269 59.232 58.000 -0.062 0.000 1.395 85 F CB -0.175 38.829 39.000 0.007 0.000 1.056 85 F HN -0.066 nan 8.300 nan 0.000 0.529 86 S N 0.061 115.747 115.700 -0.023 0.000 2.558 86 S HA 0.166 4.650 4.470 0.023 0.000 0.217 86 S C 0.764 175.308 174.600 -0.093 0.000 0.975 86 S CA -0.165 57.995 58.200 -0.066 0.000 0.912 86 S CB -0.253 62.963 63.200 0.026 0.000 0.776 86 S HN 0.065 nan 8.310 nan 0.000 0.526 87 L N 1.886 123.038 121.223 -0.119 0.000 2.439 87 L HA 0.292 4.646 4.340 0.023 0.000 0.269 87 L C 1.232 178.039 176.870 -0.105 0.000 1.179 87 L CA -0.133 54.645 54.840 -0.104 0.000 0.828 87 L CB 0.315 42.249 42.059 -0.209 0.000 1.106 87 L HN 0.009 nan 8.230 nan 0.000 0.467 88 R N 3.207 123.726 120.500 0.032 0.000 2.600 88 R HA 0.277 4.631 4.340 0.023 0.000 0.392 88 R C -0.973 175.450 176.300 0.205 0.000 1.032 88 R CA -0.073 56.061 56.100 0.057 0.000 1.139 88 R CB 0.394 30.717 30.300 0.039 0.000 1.400 88 R HN 0.595 nan 8.270 nan 0.000 0.566 89 F N -2.074 117.890 119.950 0.023 0.000 2.693 89 F HA 0.663 5.195 4.527 0.009 0.000 0.309 89 F C -1.603 174.253 175.800 0.093 0.000 1.129 89 F CA -1.324 56.708 58.000 0.054 0.000 0.948 89 F CB 1.266 40.302 39.000 0.061 0.000 1.315 89 F HN -0.288 nan 8.300 nan 0.000 0.447 90 L N 2.346 123.609 121.223 0.067 0.000 2.370 90 L HA 0.600 4.954 4.340 0.023 0.000 0.266 90 L C -0.624 176.375 176.870 0.216 0.000 1.002 90 L CA -1.064 53.798 54.840 0.036 0.000 0.818 90 L CB 2.407 44.522 42.059 0.094 0.000 1.325 90 L HN 0.827 nan 8.230 nan 0.000 0.418 91 R N 2.029 122.645 120.500 0.194 0.000 2.312 91 R HA 0.244 4.598 4.340 0.023 0.000 0.311 91 R C -0.547 175.856 176.300 0.172 0.000 1.004 91 R CA -0.457 55.776 56.100 0.222 0.000 0.902 91 R CB 1.236 31.674 30.300 0.231 0.000 1.073 91 R HN 0.611 nan 8.270 nan 0.000 0.457 92 E N 3.904 124.202 120.200 0.163 0.000 2.089 92 E HA 0.062 4.426 4.350 0.023 0.000 0.284 92 E C 0.686 177.382 176.600 0.161 0.000 1.023 92 E CA -0.432 56.060 56.400 0.155 0.000 0.819 92 E CB 1.305 31.083 29.700 0.130 0.000 1.076 92 E HN 0.552 nan 8.360 nan 0.000 0.396 93 V N 4.599 124.629 119.914 0.194 0.000 2.255 93 V HA -0.261 3.873 4.120 0.023 0.000 0.247 93 V C 2.086 178.273 176.094 0.156 0.000 1.051 93 V CA 1.486 63.911 62.300 0.208 0.000 1.018 93 V CB -0.284 31.773 31.823 0.390 0.000 0.641 93 V HN 0.647 nan 8.190 nan 0.000 0.445 94 V N 1.756 121.752 119.914 0.137 0.000 2.794 94 V HA -0.232 3.901 4.120 0.023 0.000 0.260 94 V C 1.401 177.534 176.094 0.066 0.000 1.103 94 V CA 2.361 64.714 62.300 0.087 0.000 1.125 94 V CB -1.147 30.716 31.823 0.065 0.000 0.702 94 V HN 0.994 nan 8.190 nan 0.000 0.494 95 N N -3.157 115.594 118.700 0.086 0.000 2.193 95 N HA 0.025 4.778 4.740 0.023 0.000 0.236 95 N C -0.388 175.207 175.510 0.142 0.000 1.347 95 N CA 0.082 53.186 53.050 0.090 0.000 0.812 95 N CB 0.568 39.109 38.487 0.091 0.000 1.297 95 N HN 0.137 nan 8.380 nan 0.000 0.499 96 D N 0.785 121.270 120.400 0.142 0.000 2.882 96 D HA -0.200 4.454 4.640 0.023 0.000 0.229 96 D C -0.391 176.087 176.300 0.298 0.000 1.167 96 D CA 1.078 55.198 54.000 0.200 0.000 0.759 96 D CB -1.189 39.740 40.800 0.215 0.000 1.088 96 D HN 0.586 nan 8.370 nan 0.000 0.425 97 N N 0.079 118.914 118.700 0.226 0.000 2.483 97 N HA 0.375 5.129 4.740 0.023 0.000 0.269 97 N C -0.292 175.252 175.510 0.057 0.000 1.209 97 N CA -0.082 53.077 53.050 0.181 0.000 0.969 97 N CB 0.657 39.240 38.487 0.159 0.000 1.173 97 N HN 0.118 nan 8.380 nan 0.000 0.475 98 I N 2.955 123.467 120.570 -0.096 0.000 2.382 98 I HA 0.257 4.441 4.170 0.023 0.000 0.286 98 I C -0.596 175.573 176.117 0.086 0.000 1.002 98 I CA -0.637 60.674 61.300 0.018 0.000 1.135 98 I CB 0.888 38.839 38.000 -0.083 0.000 1.288 98 I HN 0.314 nan 8.210 nan 0.000 0.448 99 L N 8.154 129.470 121.223 0.155 0.000 2.334 99 L HA 0.565 4.919 4.340 0.023 0.000 0.275 99 L C -2.250 174.712 176.870 0.152 0.000 1.036 99 L CA -1.964 52.951 54.840 0.125 0.000 0.807 99 L CB 1.210 43.332 42.059 0.105 0.000 1.231 99 L HN 0.312 nan 8.230 nan 0.000 0.438 100 P HA 0.174 nan 4.420 nan 0.000 0.276 100 P C -1.176 176.170 177.300 0.076 0.000 1.230 100 P CA -0.331 62.829 63.100 0.099 0.000 0.776 100 P CB 1.843 33.580 31.700 0.062 0.000 0.888 101 L N 3.650 124.907 121.223 0.056 0.000 2.381 101 L HA 0.394 4.748 4.340 0.023 0.000 0.274 101 L C -0.663 176.175 176.870 -0.053 0.000 0.988 101 L CA -0.346 54.504 54.840 0.018 0.000 0.824 101 L CB 1.853 43.907 42.059 -0.008 0.000 1.263 101 L HN 0.241 nan 8.230 nan 0.000 0.410 102 Q N 3.573 123.335 119.800 -0.064 0.000 2.306 102 Q HA 0.781 5.135 4.340 0.023 0.000 0.265 102 Q C -0.846 174.888 176.000 -0.443 0.000 1.022 102 Q CA -0.633 55.004 55.803 -0.276 0.000 0.853 102 Q CB 2.088 30.660 28.738 -0.276 0.000 1.327 102 Q HN 0.778 nan 8.270 nan 0.000 0.449 103 A N 2.188 124.569 122.820 -0.732 0.000 2.317 103 A HA 0.803 5.137 4.320 0.023 0.000 0.327 103 A C -1.185 175.830 177.584 -0.948 0.000 1.178 103 A CA -0.448 51.125 52.037 -0.773 0.000 0.817 103 A CB 0.420 18.768 19.000 -1.086 0.000 1.189 103 A HN 0.523 nan 8.150 nan 0.000 0.489 104 F N 3.140 122.940 119.950 -0.249 0.000 2.529 104 F HA 0.508 5.049 4.527 0.024 0.000 0.320 104 F C -2.111 173.407 175.800 -0.471 0.000 1.118 104 F CA -2.369 55.429 58.000 -0.337 0.000 0.915 104 F CB 2.338 41.099 39.000 -0.400 0.000 1.161 104 F HN 0.365 nan 8.300 nan 0.000 0.445 105 P HA -0.009 nan 4.420 nan 0.000 0.272 105 P C -0.560 176.433 177.300 -0.512 0.000 1.223 105 P CA -0.310 62.667 63.100 -0.206 0.000 0.784 105 P CB 0.866 32.522 31.700 -0.074 0.000 0.923 106 N N 1.022 119.461 118.700 -0.434 0.000 2.447 106 N HA 0.176 4.930 4.740 0.023 0.000 0.263 106 N C 1.285 176.737 175.510 -0.097 0.000 1.226 106 N CA 1.742 54.610 53.050 -0.302 0.000 0.906 106 N CB -0.745 37.669 38.487 -0.121 0.000 1.060 106 N HN 0.754 nan 8.380 nan 0.000 0.468 107 G N 1.220 110.070 108.800 0.083 0.000 2.148 107 G HA2 -0.211 3.763 3.960 0.023 0.000 0.203 107 G HA3 -0.211 3.763 3.960 0.023 0.000 0.203 107 G C 0.131 175.087 174.900 0.093 0.000 0.993 107 G CA 0.238 45.401 45.100 0.105 0.000 0.661 107 G HN 0.836 nan 8.290 nan 0.000 0.518 108 S N 0.163 115.930 115.700 0.112 0.000 2.617 108 S HA 0.605 5.089 4.470 0.023 0.000 0.269 108 S C -0.399 174.287 174.600 0.143 0.000 1.292 108 S CA -0.489 57.764 58.200 0.088 0.000 1.010 108 S CB 1.446 64.688 63.200 0.070 0.000 0.944 108 S HN -0.027 nan 8.310 nan 0.000 0.536 109 P HA 0.032 nan 4.420 nan 0.000 0.219 109 P C -0.070 177.183 177.300 -0.079 0.000 1.150 109 P CA 0.563 63.508 63.100 -0.258 0.000 0.814 109 P CB 0.067 31.152 31.700 -1.025 0.000 0.787 110 R N 1.247 121.672 120.500 -0.124 0.000 2.351 110 R HA 0.385 4.738 4.340 0.023 0.000 0.318 110 R C -0.353 175.909 176.300 -0.063 0.000 1.055 110 R CA -0.322 55.743 56.100 -0.058 0.000 0.968 110 R CB -0.895 29.196 30.300 -0.349 0.000 0.974 110 R HN -0.045 nan 8.270 nan 0.000 0.439 111 A N 6.794 129.357 122.820 -0.428 0.000 2.386 111 A HA 0.357 4.690 4.320 0.023 0.000 0.248 111 A C -1.909 175.248 177.584 -0.711 0.000 1.082 111 A CA -1.288 50.194 52.037 -0.926 0.000 0.789 111 A CB 0.009 18.286 19.000 -1.205 0.000 1.025 111 A HN 0.795 nan 8.150 nan 0.000 0.490 112 P HA 0.131 nan 4.420 nan 0.000 0.225 112 P C 0.217 177.141 177.300 -0.626 0.000 1.813 112 P CA 0.018 62.338 63.100 -1.301 0.000 1.013 112 P CB -0.072 30.534 31.700 -1.823 0.000 1.961 113 V N 2.768 122.435 119.914 -0.412 0.000 3.388 113 V HA 0.110 4.244 4.120 0.023 0.000 0.301 113 V C 0.688 176.691 176.094 -0.151 0.000 1.160 113 V CA 0.119 62.278 62.300 -0.235 0.000 1.277 113 V CB 0.277 32.005 31.823 -0.159 0.000 1.018 113 V HN 0.558 nan 8.190 nan 0.000 0.504 114 A N 3.937 126.709 122.820 -0.080 0.000 2.462 114 A HA 0.551 4.885 4.320 0.023 0.000 0.243 114 A C 1.456 179.081 177.584 0.067 0.000 1.076 114 A CA 0.479 52.511 52.037 -0.008 0.000 0.773 114 A CB -0.042 18.978 19.000 0.033 0.000 1.010 114 A HN 2.560 nan 8.150 nan 0.000 0.493 115 G N 0.404 109.282 108.800 0.131 0.000 2.234 115 G HA2 0.147 4.120 3.960 0.023 0.000 0.235 115 G HA3 0.147 4.120 3.960 0.023 0.000 0.235 115 G C 0.656 175.669 174.900 0.188 0.000 0.997 115 G CA 0.390 45.659 45.100 0.282 0.000 0.623 115 G HN 2.176 nan 8.290 nan 0.000 0.514 116 A N 0.452 123.321 122.820 0.082 0.000 2.407 116 A HA 0.697 5.031 4.320 0.023 0.000 0.248 116 A C 0.685 178.345 177.584 0.127 0.000 1.082 116 A CA 0.070 52.170 52.037 0.106 0.000 0.785 116 A CB 0.327 19.374 19.000 0.078 0.000 1.020 116 A HN 0.880 nan 8.150 nan 0.000 0.489 117 L N 0.833 122.157 121.223 0.168 0.000 2.418 117 L HA 0.416 4.770 4.340 0.023 0.000 0.265 117 L C -0.323 176.662 176.870 0.191 0.000 1.143 117 L CA -0.406 54.522 54.840 0.147 0.000 0.809 117 L CB 0.992 43.115 42.059 0.107 0.000 1.124 117 L HN 0.651 nan 8.230 nan 0.000 0.456 118 L N 4.028 125.348 121.223 0.162 0.000 2.406 118 L HA 0.561 4.915 4.340 0.023 0.000 0.272 118 L C -0.898 176.033 176.870 0.101 0.000 0.980 118 L CA -0.151 54.772 54.840 0.138 0.000 0.831 118 L CB 1.367 43.491 42.059 0.109 0.000 1.253 118 L HN 0.245 nan 8.230 nan 0.000 0.406 119 I N 3.792 124.356 120.570 -0.010 0.000 2.530 119 I HA 0.359 4.543 4.170 0.023 0.000 0.297 119 I C -0.627 175.413 176.117 -0.128 0.000 1.011 119 I CA -0.636 60.679 61.300 0.025 0.000 1.107 119 I CB 1.661 39.687 38.000 0.044 0.000 1.285 119 I HN 0.579 nan 8.210 nan 0.000 0.436 120 W N 3.295 124.559 121.300 -0.060 0.000 2.551 120 W HA 0.239 4.911 4.660 0.021 0.000 0.330 120 W C 0.205 176.745 176.519 0.034 0.000 1.063 120 W CA -0.188 57.152 57.345 -0.009 0.000 1.222 120 W CB 2.129 31.589 29.460 -0.001 0.000 1.349 120 W HN 0.474 nan 8.180 nan 0.000 0.536 121 D N 2.100 122.621 120.400 0.200 0.000 2.377 121 D HA 0.074 4.728 4.640 0.023 0.000 0.245 121 D C -0.034 176.361 176.300 0.158 0.000 1.196 121 D CA 0.010 54.084 54.000 0.124 0.000 0.962 121 D CB 1.039 41.822 40.800 -0.028 0.000 1.127 121 D HN 0.211 nan 8.370 nan 0.000 0.471 122 K N 0.006 120.369 120.400 -0.060 0.000 2.326 122 K HA 0.535 4.869 4.320 0.023 0.000 0.275 122 K C 0.177 176.779 176.600 0.003 0.000 1.018 122 K CA -0.690 55.588 56.287 -0.015 0.000 0.962 122 K CB 0.685 33.040 32.500 -0.242 0.000 0.953 122 K HN 0.480 nan 8.250 nan 0.000 0.475 123 G N 0.400 109.246 108.800 0.076 0.000 2.307 123 G HA2 0.367 4.340 3.960 0.023 0.000 0.348 123 G HA3 0.367 4.340 3.960 0.023 0.000 0.348 123 G C 0.134 175.061 174.900 0.045 0.000 1.603 123 G CA -0.047 45.079 45.100 0.044 0.000 0.961 123 G HN 1.062 nan 8.290 nan 0.000 0.686 124 G N 1.055 109.845 108.800 -0.016 0.000 2.561 124 G HA2 -0.141 3.833 3.960 0.023 0.000 0.289 124 G HA3 -0.141 3.833 3.960 0.023 0.000 0.289 124 G C 1.212 175.991 174.900 -0.201 0.000 1.169 124 G CA 1.342 46.393 45.100 -0.082 0.000 0.980 124 G HN 1.937 nan 8.290 nan 0.000 0.550 125 E N 0.500 120.439 120.200 -0.436 0.000 2.153 125 E HA 0.080 4.444 4.350 0.023 0.000 0.194 125 E C 1.803 177.968 176.600 -0.726 0.000 0.988 125 E CA 1.668 57.594 56.400 -0.788 0.000 0.811 125 E CB -0.285 28.438 29.700 -1.629 0.000 0.746 125 E HN 0.487 nan 8.360 nan 0.000 0.466 126 F N 0.411 120.222 119.950 -0.231 0.000 2.916 126 F HA 0.285 4.827 4.527 0.025 0.000 0.294 126 F C 1.283 177.064 175.800 -0.032 0.000 1.189 126 F CA -0.763 57.155 58.000 -0.136 0.000 1.369 126 F CB 0.139 39.077 39.000 -0.104 0.000 0.961 126 F HN -0.162 nan 8.300 nan 0.000 0.508 127 K N 1.236 121.670 120.400 0.057 0.000 2.584 127 K HA -0.332 4.002 4.320 0.023 0.000 0.159 127 K C 1.422 178.068 176.600 0.076 0.000 0.671 127 K CA 2.452 58.766 56.287 0.044 0.000 0.850 127 K CB -0.407 32.108 32.500 0.025 0.000 0.276 127 K HN 0.439 nan 8.250 nan 0.000 1.055 128 D N -1.196 119.261 120.400 0.095 0.000 2.369 128 D HA -0.025 4.629 4.640 0.023 0.000 0.211 128 D C 1.319 177.770 176.300 0.252 0.000 1.077 128 D CA 1.219 55.289 54.000 0.117 0.000 0.842 128 D CB 0.126 40.984 40.800 0.097 0.000 0.947 128 D HN 0.536 nan 8.370 nan 0.000 0.509 129 T N -3.261 111.450 114.554 0.262 0.000 3.044 129 T HA 0.384 4.748 4.350 0.023 0.000 0.255 129 T C 1.366 176.308 174.700 0.403 0.000 1.073 129 T CA 0.592 62.880 62.100 0.312 0.000 1.125 129 T CB 0.065 69.056 68.868 0.205 0.000 0.908 129 T HN 0.409 nan 8.240 nan 0.000 0.480 130 G N 0.983 110.000 108.800 0.363 0.000 2.645 130 G HA2 -0.115 3.859 3.960 0.023 0.000 0.239 130 G HA3 -0.115 3.859 3.960 0.023 0.000 0.239 130 G C -0.515 174.459 174.900 0.124 0.000 1.331 130 G CA -0.044 45.260 45.100 0.340 0.000 0.890 130 G HN 1.023 nan 8.290 nan 0.000 0.572 131 H N -2.212 116.790 119.070 -0.112 0.000 3.037 131 H HA 0.577 5.148 4.556 0.024 0.000 0.336 131 H C -1.676 173.643 175.328 -0.015 0.000 1.323 131 H CA -0.058 55.756 56.048 -0.390 0.000 1.159 131 H CB 2.025 30.835 29.762 -1.587 0.000 1.882 131 H HN 1.229 nan 8.280 nan 0.000 0.535 132 V N 2.152 121.658 119.914 -0.682 0.000 2.808 132 V HA 0.840 4.974 4.120 0.023 0.000 0.308 132 V C -1.418 174.415 176.094 -0.434 0.000 1.099 132 V CA 0.310 62.428 62.300 -0.304 0.000 0.920 132 V CB 1.262 33.013 31.823 -0.120 0.000 1.014 132 V HN 0.974 nan 8.190 nan 0.000 0.425 133 A N 6.441 129.251 122.820 -0.016 0.000 2.569 133 A HA 0.924 5.257 4.320 0.023 0.000 0.290 133 A C -1.566 176.102 177.584 0.140 0.000 1.136 133 A CA -0.719 51.380 52.037 0.103 0.000 0.710 133 A CB 1.805 20.961 19.000 0.261 0.000 1.303 133 A HN 0.695 nan 8.150 nan 0.000 0.413 134 I N 1.215 121.848 120.570 0.105 0.000 2.377 134 I HA 0.347 4.531 4.170 0.023 0.000 0.293 134 I C -0.274 175.826 176.117 -0.029 0.000 0.987 134 I CA -0.431 60.841 61.300 -0.046 0.000 1.185 134 I CB 1.296 39.045 38.000 -0.419 0.000 1.341 134 I HN 0.503 nan 8.210 nan 0.000 0.455 135 I N 5.497 126.051 120.570 -0.026 0.000 2.396 135 I HA 0.052 4.236 4.170 0.023 0.000 0.289 135 I C 1.496 177.586 176.117 -0.044 0.000 1.056 135 I CA 0.079 61.355 61.300 -0.041 0.000 1.365 135 I CB 1.202 39.150 38.000 -0.086 0.000 1.407 135 I HN 0.707 nan 8.210 nan 0.000 0.509 136 T N 2.031 116.567 114.554 -0.029 0.000 3.040 136 T HA 0.107 4.470 4.350 0.023 0.000 0.252 136 T C 0.382 175.082 174.700 0.000 0.000 1.064 136 T CA 0.029 62.145 62.100 0.027 0.000 1.110 136 T CB 0.246 69.171 68.868 0.096 0.000 0.921 136 T HN 0.709 nan 8.240 nan 0.000 0.480 137 Q N 0.007 119.746 119.800 -0.101 0.000 2.503 137 Q HA 0.582 4.936 4.340 0.023 0.000 0.268 137 Q C -2.259 173.592 176.000 -0.248 0.000 0.982 137 Q CA -1.073 54.649 55.803 -0.135 0.000 0.907 137 Q CB 1.020 29.694 28.738 -0.107 0.000 1.467 137 Q HN 0.124 nan 8.270 nan 0.000 0.394 138 L N 2.442 123.586 121.223 -0.131 0.000 2.289 138 L HA 0.408 4.762 4.340 0.023 0.000 0.285 138 L C -0.283 176.649 176.870 0.103 0.000 1.049 138 L CA 0.025 54.797 54.840 -0.112 0.000 0.804 138 L CB 0.955 42.948 42.059 -0.110 0.000 1.195 138 L HN 0.797 nan 8.230 nan 0.000 0.428 139 H N 3.134 122.145 119.070 -0.098 0.000 2.587 139 H HA 0.240 4.811 4.556 0.024 0.000 0.245 139 H C 1.264 176.561 175.328 -0.052 0.000 1.238 139 H CA 0.132 56.133 56.048 -0.079 0.000 0.963 139 H CB 0.720 30.421 29.762 -0.102 0.000 1.904 139 H HN 0.946 nan 8.280 nan 0.000 0.584 140 G N 2.608 111.455 108.800 0.078 0.000 3.019 140 G HA2 -0.501 3.473 3.960 0.023 0.000 0.231 140 G HA3 -0.501 3.473 3.960 0.023 0.000 0.231 140 G C 1.327 176.251 174.900 0.040 0.000 1.225 140 G CA 1.337 46.469 45.100 0.053 0.000 0.845 140 G HN 0.605 nan 8.290 nan 0.000 0.527 141 N N 0.586 119.307 118.700 0.036 0.000 2.171 141 N HA 0.129 4.883 4.740 0.023 0.000 0.212 141 N C 0.484 175.996 175.510 0.004 0.000 1.184 141 N CA 1.081 54.140 53.050 0.016 0.000 0.888 141 N CB 0.488 38.980 38.487 0.008 0.000 1.038 141 N HN 0.860 nan 8.380 nan 0.000 0.517 142 K N -1.041 119.359 120.400 -0.001 0.000 2.571 142 K HA 0.573 4.907 4.320 0.023 0.000 0.289 142 K C -1.828 174.682 176.600 -0.150 0.000 1.028 142 K CA -0.823 55.424 56.287 -0.066 0.000 0.895 142 K CB 1.941 34.391 32.500 -0.084 0.000 1.534 142 K HN -0.184 nan 8.250 nan 0.000 0.421 143 V N 0.635 120.424 119.914 -0.209 0.000 2.808 143 V HA 0.474 4.608 4.120 0.023 0.000 0.308 143 V C -1.170 174.739 176.094 -0.308 0.000 1.099 143 V CA -0.815 61.321 62.300 -0.273 0.000 0.920 143 V CB 2.242 33.943 31.823 -0.203 0.000 1.014 143 V HN 0.695 nan 8.190 nan 0.000 0.425 144 R N 4.190 124.453 120.500 -0.395 0.000 2.604 144 R HA 0.827 5.180 4.340 0.023 0.000 0.287 144 R C -0.734 175.497 176.300 -0.114 0.000 0.970 144 R CA -0.519 55.361 56.100 -0.366 0.000 0.946 144 R CB 1.982 31.864 30.300 -0.696 0.000 1.127 144 R HN 0.773 nan 8.270 nan 0.000 0.473 145 I N -2.026 118.572 120.570 0.048 0.000 3.074 145 I HA 0.864 5.048 4.170 0.023 0.000 0.310 145 I C -1.241 174.974 176.117 0.163 0.000 1.153 145 I CA -1.247 60.117 61.300 0.106 0.000 0.993 145 I CB 2.537 40.640 38.000 0.170 0.000 1.237 145 I HN 0.603 nan 8.210 nan 0.000 0.443 146 A N 2.796 125.682 122.820 0.111 0.000 2.386 146 A HA 0.902 5.236 4.320 0.023 0.000 0.311 146 A C -0.776 176.791 177.584 -0.028 0.000 1.068 146 A CA -0.360 51.697 52.037 0.034 0.000 0.743 146 A CB 1.391 20.450 19.000 0.098 0.000 1.258 146 A HN 0.956 nan 8.150 nan 0.000 0.429 147 E N 0.636 120.643 120.200 -0.322 0.000 2.439 147 E HA 0.332 4.696 4.350 0.023 0.000 0.279 147 E C -0.519 175.796 176.600 -0.476 0.000 1.077 147 E CA -0.677 55.571 56.400 -0.254 0.000 0.849 147 E CB 1.053 30.794 29.700 0.068 0.000 1.408 147 E HN 0.487 nan 8.360 nan 0.000 0.457 148 Q N 0.014 119.690 119.800 -0.206 0.000 2.471 148 Q HA 0.188 4.542 4.340 0.023 0.000 0.241 148 Q C 0.529 176.469 176.000 -0.101 0.000 0.886 148 Q CA 0.265 55.962 55.803 -0.178 0.000 0.953 148 Q CB 0.472 29.223 28.738 0.023 0.000 1.108 148 Q HN 0.604 nan 8.270 nan 0.000 0.575 149 N N 0.002 118.736 118.700 0.056 0.000 2.575 149 N HA 0.119 4.873 4.740 0.023 0.000 0.275 149 N C 0.105 175.623 175.510 0.014 0.000 1.202 149 N CA -0.208 52.871 53.050 0.048 0.000 0.945 149 N CB 0.663 39.287 38.487 0.229 0.000 1.247 149 N HN 0.008 nan 8.380 nan 0.000 0.510 150 V N -0.029 119.820 119.914 -0.108 0.000 3.001 150 V HA 0.210 4.344 4.120 0.023 0.000 0.228 150 V C 0.381 176.448 176.094 -0.045 0.000 1.204 150 V CA 0.178 62.463 62.300 -0.026 0.000 1.247 150 V CB 0.046 31.871 31.823 0.004 0.000 1.093 150 V HN 0.249 nan 8.190 nan 0.000 0.504 151 I N -1.131 119.349 120.570 -0.150 0.000 2.392 151 I HA 0.553 4.737 4.170 0.023 0.000 0.295 151 I C 0.090 176.040 176.117 -0.278 0.000 0.985 151 I CA 0.147 61.384 61.300 -0.105 0.000 1.221 151 I CB 0.926 38.875 38.000 -0.084 0.000 1.366 151 I HN 0.181 nan 8.210 nan 0.000 0.467 152 H N 2.568 121.616 119.070 -0.035 0.000 2.581 152 H HA 0.392 4.961 4.556 0.022 0.000 0.275 152 H C -0.314 174.978 175.328 -0.061 0.000 1.126 152 H CA -0.086 55.934 56.048 -0.046 0.000 1.097 152 H CB 0.221 29.975 29.762 -0.012 0.000 1.626 152 H HN 0.752 nan 8.280 nan 0.000 0.565 153 S N 0.827 116.527 115.700 0.000 0.000 2.532 153 S HA 0.422 4.906 4.470 0.023 0.000 0.301 153 S C -2.805 171.740 174.600 -0.092 0.000 1.083 153 S CA -1.927 56.255 58.200 -0.031 0.000 1.025 153 S CB 2.234 65.423 63.200 -0.019 0.000 1.056 153 S HN -0.012 nan 8.310 nan 0.000 0.494 154 P HA 0.079 nan 4.420 nan 0.000 0.260 154 P C -0.616 176.600 177.300 -0.140 0.000 1.185 154 P CA -0.043 62.981 63.100 -0.126 0.000 0.763 154 P CB 0.248 31.891 31.700 -0.095 0.000 0.776 155 L N 6.131 127.245 121.223 -0.182 0.000 2.464 155 L HA 0.259 4.613 4.340 0.023 0.000 0.264 155 L C -1.598 175.161 176.870 -0.186 0.000 1.199 155 L CA -1.995 52.715 54.840 -0.217 0.000 0.818 155 L CB -0.648 41.242 42.059 -0.282 0.000 1.102 155 L HN 0.248 nan 8.230 nan 0.000 0.473 156 P HA -0.043 nan 4.420 nan 0.000 0.265 156 P C -1.145 176.078 177.300 -0.128 0.000 1.187 156 P CA -0.296 62.714 63.100 -0.151 0.000 0.766 156 P CB 0.214 31.811 31.700 -0.172 0.000 0.820 157 Q N 2.431 122.183 119.800 -0.080 0.000 2.262 157 Q HA 0.050 4.404 4.340 0.023 0.000 0.298 157 Q C 1.192 177.166 176.000 -0.045 0.000 1.083 157 Q CA 0.942 56.714 55.803 -0.052 0.000 0.962 157 Q CB -0.949 27.769 28.738 -0.032 0.000 1.104 157 Q HN 0.889 nan 8.270 nan 0.000 0.376 158 G N 2.006 110.788 108.800 -0.029 0.000 2.267 158 G HA2 -0.370 3.604 3.960 0.023 0.000 0.257 158 G HA3 -0.370 3.604 3.960 0.023 0.000 0.257 158 G C 0.166 175.051 174.900 -0.026 0.000 0.998 158 G CA 0.487 45.579 45.100 -0.012 0.000 0.620 158 G HN 0.736 nan 8.290 nan 0.000 0.529 159 Q N 0.800 120.535 119.800 -0.108 0.000 2.271 159 Q HA 0.388 4.742 4.340 0.023 0.000 0.273 159 Q C 0.423 176.296 176.000 -0.211 0.000 1.051 159 Q CA 0.164 55.830 55.803 -0.228 0.000 0.901 159 Q CB 0.153 28.584 28.738 -0.512 0.000 1.174 159 Q HN 0.595 nan 8.270 nan 0.000 0.385 160 Q N 5.890 125.666 119.800 -0.040 0.000 2.465 160 Q HA 0.208 4.562 4.340 0.023 0.000 0.361 160 Q C -1.255 174.867 176.000 0.203 0.000 0.957 160 Q CA -0.255 55.598 55.803 0.083 0.000 1.065 160 Q CB 0.380 29.224 28.738 0.177 0.000 1.274 160 Q HN 0.525 nan 8.270 nan 0.000 0.421 161 W N -1.389 119.913 121.300 0.003 0.000 3.146 161 W HA 0.292 4.966 4.660 0.022 0.000 0.319 161 W C -0.022 176.468 176.519 -0.048 0.000 1.258 161 W CA -0.745 56.589 57.345 -0.019 0.000 1.189 161 W CB 0.470 29.921 29.460 -0.015 0.000 1.412 161 W HN -0.009 nan 8.180 nan 0.000 0.567 162 T N -1.439 113.227 114.554 0.188 0.000 3.034 162 T HA 0.356 4.720 4.350 0.023 0.000 0.248 162 T C 0.484 175.318 174.700 0.222 0.000 1.040 162 T CA 0.268 62.390 62.100 0.037 0.000 1.107 162 T CB 0.749 69.591 68.868 -0.042 0.000 0.932 162 T HN 0.425 nan 8.240 nan 0.000 0.474 163 R N 0.348 121.108 120.500 0.433 0.000 2.710 163 R HA 0.525 4.879 4.340 0.023 0.000 0.270 163 R C -1.570 174.876 176.300 0.243 0.000 1.021 163 R CA -0.721 55.596 56.100 0.362 0.000 0.889 163 R CB 2.085 32.501 30.300 0.193 0.000 1.243 163 R HN 0.298 nan 8.270 nan 0.000 0.464 164 E N 2.394 122.650 120.200 0.093 0.000 2.195 164 E HA 0.516 4.880 4.350 0.023 0.000 0.271 164 E C -0.767 175.822 176.600 -0.019 0.000 0.923 164 E CA -0.752 55.580 56.400 -0.114 0.000 0.790 164 E CB 2.201 31.766 29.700 -0.225 0.000 1.155 164 E HN 0.218 nan 8.360 nan 0.000 0.402 165 L N 1.459 122.664 121.223 -0.029 0.000 2.386 165 L HA 0.392 4.746 4.340 0.023 0.000 0.271 165 L C 0.020 176.883 176.870 -0.011 0.000 0.993 165 L CA -0.907 53.949 54.840 0.027 0.000 0.819 165 L CB 2.035 44.152 42.059 0.097 0.000 1.294 165 L HN 0.574 nan 8.230 nan 0.000 0.414 166 E N 3.208 123.412 120.200 0.007 0.000 2.344 166 E HA 0.230 4.594 4.350 0.023 0.000 0.270 166 E C -1.025 175.579 176.600 0.007 0.000 1.021 166 E CA -0.234 56.166 56.400 -0.000 0.000 0.887 166 E CB 1.150 30.855 29.700 0.009 0.000 0.997 166 E HN 0.473 nan 8.360 nan 0.000 0.429 167 M N 5.771 125.370 119.600 -0.001 0.000 2.321 167 M HA 0.302 4.795 4.480 0.023 0.000 0.315 167 M C -1.353 174.958 176.300 0.019 0.000 1.052 167 M CA -0.915 54.394 55.300 0.014 0.000 0.936 167 M CB 1.480 34.080 32.600 -0.001 0.000 1.639 167 M HN 0.374 nan 8.290 nan 0.000 0.433 168 V N 3.272 123.201 119.914 0.025 0.000 2.513 168 V HA 0.739 4.873 4.120 0.023 0.000 0.299 168 V C -0.869 175.200 176.094 -0.042 0.000 1.035 168 V CA -0.659 61.638 62.300 -0.005 0.000 0.889 168 V CB 1.393 33.214 31.823 -0.002 0.000 0.988 168 V HN 0.632 nan 8.190 nan 0.000 0.440 169 V N 4.555 124.407 119.914 -0.104 0.000 2.304 169 V HA 0.504 4.638 4.120 0.023 0.000 0.278 169 V C -0.186 175.787 176.094 -0.202 0.000 1.018 169 V CA -0.278 61.868 62.300 -0.257 0.000 0.814 169 V CB 0.638 32.272 31.823 -0.314 0.000 1.021 169 V HN 1.051 nan 8.190 nan 0.000 0.440 170 E N 3.831 123.919 120.200 -0.187 0.000 2.186 170 E HA 0.445 4.809 4.350 0.023 0.000 0.255 170 E C -0.554 175.970 176.600 -0.126 0.000 0.881 170 E CA -0.756 55.570 56.400 -0.123 0.000 0.752 170 E CB 0.879 30.535 29.700 -0.074 0.000 1.176 170 E HN 0.733 nan 8.360 nan 0.000 0.421 171 N N 2.490 121.119 118.700 -0.117 0.000 2.681 171 N HA -0.223 4.531 4.740 0.023 0.000 0.259 171 N C 0.707 176.149 175.510 -0.114 0.000 1.066 171 N CA 0.996 53.990 53.050 -0.093 0.000 0.717 171 N CB -0.929 37.522 38.487 -0.060 0.000 0.885 171 N HN 0.978 nan 8.380 nan 0.000 0.547 172 G N -2.264 106.439 108.800 -0.162 0.000 2.245 172 G HA2 -0.389 3.585 3.960 0.023 0.000 0.264 172 G HA3 -0.389 3.585 3.960 0.023 0.000 0.264 172 G C 0.532 175.297 174.900 -0.225 0.000 0.985 172 G CA 0.521 45.526 45.100 -0.158 0.000 0.625 172 G HN 0.697 nan 8.290 nan 0.000 0.536 173 C N -0.216 118.929 119.300 -0.257 0.000 2.358 173 C HA 0.824 5.298 4.460 0.023 0.000 0.354 173 C C -0.253 174.541 174.990 -0.328 0.000 1.183 173 C CA -0.930 57.990 59.018 -0.163 0.000 2.150 173 C CB 0.654 28.356 27.740 -0.064 0.000 2.361 173 C HN 0.328 nan 8.230 nan 0.000 0.535 174 Y N 0.004 120.342 120.300 0.064 0.000 2.391 174 Y HA 0.555 5.119 4.550 0.024 0.000 0.341 174 Y C 0.393 176.413 175.900 0.201 0.000 0.965 174 Y CA -0.449 57.707 58.100 0.092 0.000 1.067 174 Y CB 1.725 40.217 38.460 0.054 0.000 1.199 174 Y HN 0.551 nan 8.280 nan 0.000 0.450 175 T N 4.592 119.297 114.554 0.252 0.000 2.886 175 T HA 0.629 4.993 4.350 0.023 0.000 0.292 175 T C -0.755 174.042 174.700 0.162 0.000 1.012 175 T CA -0.723 61.510 62.100 0.221 0.000 0.982 175 T CB 1.024 69.958 68.868 0.110 0.000 1.018 175 T HN 0.379 nan 8.240 nan 0.000 0.451 176 L N 2.674 124.002 121.223 0.176 0.000 2.331 176 L HA 0.618 4.971 4.340 0.023 0.000 0.275 176 L C 0.029 176.952 176.870 0.088 0.000 1.022 176 L CA -1.004 53.896 54.840 0.101 0.000 0.812 176 L CB 1.592 43.704 42.059 0.088 0.000 1.257 176 L HN 0.380 nan 8.230 nan 0.000 0.435 177 K N 1.227 121.675 120.400 0.081 0.000 2.292 177 K HA 0.340 4.673 4.320 0.023 0.000 0.257 177 K C -1.148 175.536 176.600 0.141 0.000 0.940 177 K CA -0.923 55.420 56.287 0.094 0.000 0.811 177 K CB 2.232 34.772 32.500 0.066 0.000 1.120 177 K HN 0.394 nan 8.250 nan 0.000 0.428 178 D N 0.720 121.249 120.400 0.214 0.000 2.354 178 D HA 0.012 4.666 4.640 0.023 0.000 0.247 178 D C 1.038 177.445 176.300 0.179 0.000 1.138 178 D CA -0.072 54.135 54.000 0.344 0.000 0.958 178 D CB 1.284 42.458 40.800 0.623 0.000 1.144 178 D HN 0.609 nan 8.370 nan 0.000 0.458 179 T N -1.155 113.442 114.554 0.071 0.000 3.118 179 T HA 0.101 4.465 4.350 0.023 0.000 0.260 179 T C 0.777 175.238 174.700 -0.398 0.000 1.139 179 T CA 0.270 62.246 62.100 -0.208 0.000 1.085 179 T CB -0.388 68.266 68.868 -0.356 0.000 0.934 179 T HN 0.198 nan 8.240 nan 0.000 0.518 180 F N 2.651 122.643 119.950 0.069 0.000 2.432 180 F HA 0.421 4.963 4.527 0.024 0.000 0.329 180 F C 1.258 177.079 175.800 0.034 0.000 1.076 180 F CA -1.413 56.587 58.000 -0.001 0.000 1.018 180 F CB 1.278 40.215 39.000 -0.105 0.000 1.201 180 F HN 0.003 nan 8.300 nan 0.000 0.489 181 D N -0.928 119.584 120.400 0.187 0.000 2.348 181 D HA -0.079 4.574 4.640 0.023 0.000 0.211 181 D C 0.534 176.899 176.300 0.108 0.000 0.998 181 D CA 0.500 54.570 54.000 0.117 0.000 0.873 181 D CB -0.363 40.479 40.800 0.070 0.000 0.925 181 D HN 0.532 nan 8.370 nan 0.000 0.524 182 D N 0.015 120.482 120.400 0.112 0.000 2.501 182 D HA 0.038 4.692 4.640 0.023 0.000 0.224 182 D C 0.164 176.508 176.300 0.074 0.000 1.202 182 D CA -0.285 53.753 54.000 0.063 0.000 0.829 182 D CB -0.495 40.312 40.800 0.013 0.000 1.023 182 D HN 0.146 nan 8.370 nan 0.000 0.499 183 T N -2.798 111.853 114.554 0.161 0.000 2.936 183 T HA 0.674 5.037 4.350 0.023 0.000 0.282 183 T C -0.036 174.833 174.700 0.282 0.000 1.003 183 T CA -0.533 61.726 62.100 0.265 0.000 1.005 183 T CB 1.812 70.959 68.868 0.464 0.000 1.097 183 T HN -0.093 nan 8.240 nan 0.000 0.532 184 T N 1.543 116.289 114.554 0.320 0.000 2.847 184 T HA 0.487 4.851 4.350 0.023 0.000 0.291 184 T C -0.260 174.476 174.700 0.059 0.000 0.998 184 T CA -0.509 61.680 62.100 0.148 0.000 0.967 184 T CB 0.456 69.362 68.868 0.062 0.000 0.954 184 T HN 0.576 nan 8.240 nan 0.000 0.441 185 I N 4.064 124.544 120.570 -0.151 0.000 2.325 185 I HA 0.226 4.410 4.170 0.023 0.000 0.291 185 I C 1.135 177.004 176.117 -0.413 0.000 1.019 185 I CA -0.439 60.554 61.300 -0.512 0.000 1.302 185 I CB 1.357 39.020 38.000 -0.561 0.000 1.401 185 I HN 0.607 nan 8.210 nan 0.000 0.485 186 L N 5.854 126.744 121.223 -0.555 0.000 2.068 186 L HA 0.233 4.587 4.340 0.023 0.000 0.204 186 L C 1.145 177.508 176.870 -0.846 0.000 1.076 186 L CA 0.723 55.081 54.840 -0.802 0.000 0.753 186 L CB -0.377 40.853 42.059 -1.381 0.000 0.910 186 L HN 0.873 nan 8.230 nan 0.000 0.439 187 G N -2.006 106.366 108.800 -0.715 0.000 2.352 187 G HA2 0.115 4.089 3.960 0.023 0.000 0.283 187 G HA3 0.115 4.089 3.960 0.023 0.000 0.283 187 G C -2.334 172.589 174.900 0.038 0.000 1.308 187 G CA -0.467 44.373 45.100 -0.432 0.000 0.892 187 G HN 0.134 nan 8.290 nan 0.000 0.504 188 W N -1.071 120.391 121.300 0.271 0.000 2.820 188 W HA 0.872 5.546 4.660 0.022 0.000 0.350 188 W C -0.312 176.412 176.519 0.341 0.000 1.116 188 W CA -1.387 56.100 57.345 0.236 0.000 1.146 188 W CB 1.246 30.770 29.460 0.106 0.000 1.433 188 W HN 0.510 nan 8.180 nan 0.000 0.561 189 M N 2.811 122.693 119.600 0.470 0.000 2.326 189 M HA 0.550 5.044 4.480 0.023 0.000 0.306 189 M C -1.052 175.439 176.300 0.318 0.000 1.054 189 M CA -0.722 54.769 55.300 0.319 0.000 0.922 189 M CB 2.207 34.882 32.600 0.125 0.000 1.632 189 M HN 0.388 nan 8.290 nan 0.000 0.436 190 I N 1.952 122.738 120.570 0.360 0.000 2.545 190 I HA 0.264 4.448 4.170 0.023 0.000 0.292 190 I C -0.202 176.020 176.117 0.174 0.000 1.040 190 I CA -0.846 60.604 61.300 0.250 0.000 1.068 190 I CB 2.164 40.321 38.000 0.262 0.000 1.251 190 I HN 0.627 nan 8.210 nan 0.000 0.424 191 Q N 5.262 125.115 119.800 0.089 0.000 2.452 191 Q HA 0.251 4.605 4.340 0.023 0.000 0.230 191 Q C -0.920 175.114 176.000 0.056 0.000 1.180 191 Q CA 0.419 56.259 55.803 0.061 0.000 0.914 191 Q CB 0.656 29.411 28.738 0.027 0.000 1.408 191 Q HN 0.800 nan 8.270 nan 0.000 0.520 192 T N 1.770 116.373 114.554 0.082 0.000 2.868 192 T HA 0.318 4.682 4.350 0.023 0.000 0.306 192 T C -0.045 174.694 174.700 0.065 0.000 1.224 192 T CA -0.417 61.726 62.100 0.073 0.000 1.012 192 T CB 1.152 70.082 68.868 0.103 0.000 1.221 192 T HN 0.573 nan 8.240 nan 0.000 0.499 193 E N 0.683 120.910 120.200 0.045 0.000 2.472 193 E HA 0.108 4.472 4.350 0.023 0.000 0.196 193 E C -0.467 176.149 176.600 0.027 0.000 1.033 193 E CA -0.187 56.231 56.400 0.029 0.000 0.886 193 E CB 0.335 30.045 29.700 0.017 0.000 0.944 193 E HN 0.443 nan 8.360 nan 0.000 0.492 194 D N 1.388 121.815 120.400 0.046 0.000 2.338 194 D HA -0.019 4.635 4.640 0.023 0.000 0.255 194 D C 0.944 177.288 176.300 0.072 0.000 1.237 194 D CA 0.211 54.234 54.000 0.040 0.000 0.883 194 D CB 1.082 41.906 40.800 0.040 0.000 1.087 194 D HN 0.027 nan 8.370 nan 0.000 0.485 195 T N 0.476 115.041 114.554 0.020 0.000 3.065 195 T HA 0.010 4.374 4.350 0.023 0.000 0.252 195 T C 0.891 175.599 174.700 0.012 0.000 1.099 195 T CA -0.344 61.759 62.100 0.004 0.000 1.063 195 T CB -0.161 68.687 68.868 -0.034 0.000 0.948 195 T HN 0.483 nan 8.240 nan 0.000 0.506 196 E N 0.923 121.097 120.200 -0.044 0.000 2.529 196 E HA -0.082 4.282 4.350 0.023 0.000 0.259 196 E C -0.398 176.199 176.600 -0.006 0.000 0.966 196 E CA 0.033 56.316 56.400 -0.195 0.000 0.937 196 E CB -0.208 29.195 29.700 -0.495 0.000 0.923 196 E HN 0.623 nan 8.360 nan 0.000 0.468 197 Y N 0.259 120.658 120.300 0.164 0.000 4.784 197 Y HA -0.380 4.183 4.550 0.023 0.000 0.278 197 Y C 0.894 176.908 175.900 0.190 0.000 0.980 197 Y CA 0.341 58.571 58.100 0.217 0.000 1.845 197 Y CB -2.026 36.619 38.460 0.308 0.000 1.177 197 Y HN 0.628 nan 8.280 nan 0.000 0.460 198 S N 1.472 117.263 115.700 0.152 0.000 2.600 198 S HA 0.584 5.068 4.470 0.023 0.000 0.265 198 S C -0.041 174.415 174.600 -0.240 0.000 1.325 198 S CA -0.881 57.104 58.200 -0.358 0.000 1.002 198 S CB 1.393 64.251 63.200 -0.570 0.000 0.921 198 S HN 0.288 nan 8.310 nan 0.000 0.554 199 L N 1.324 122.335 121.223 -0.353 0.000 2.399 199 L HA 0.474 4.828 4.340 0.023 0.000 0.266 199 L C -2.198 174.546 176.870 -0.210 0.000 1.114 199 L CA -2.180 52.521 54.840 -0.232 0.000 0.804 199 L CB 0.509 42.413 42.059 -0.258 0.000 1.146 199 L HN 0.506 nan 8.230 nan 0.000 0.451 200 P HA 0.110 nan 4.420 nan 0.000 0.282 200 P C -1.136 176.085 177.300 -0.132 0.000 1.249 200 P CA -0.622 62.406 63.100 -0.121 0.000 0.806 200 P CB 0.661 32.312 31.700 -0.080 0.000 0.984 201 Q N 4.357 124.077 119.800 -0.133 0.000 2.263 201 Q HA 0.076 4.430 4.340 0.023 0.000 0.289 201 Q C -1.809 174.139 176.000 -0.088 0.000 1.061 201 Q CA -1.243 54.484 55.803 -0.126 0.000 0.927 201 Q CB -0.036 28.628 28.738 -0.124 0.000 1.154 201 Q HN 0.301 nan 8.270 nan 0.000 0.378 202 P HA -0.032 nan 4.420 nan 0.000 0.269 202 P C -1.376 175.915 177.300 -0.016 0.000 1.215 202 P CA 0.240 63.329 63.100 -0.018 0.000 0.780 202 P CB 0.583 32.300 31.700 0.028 0.000 0.898 203 E N 1.412 121.609 120.200 -0.004 0.000 2.248 203 E HA 0.480 4.844 4.350 0.023 0.000 0.267 203 E C -0.636 175.981 176.600 0.028 0.000 0.877 203 E CA -1.220 55.180 56.400 -0.000 0.000 0.759 203 E CB 1.566 31.255 29.700 -0.018 0.000 1.182 203 E HN 0.173 nan 8.360 nan 0.000 0.418 204 I N 1.788 122.385 120.570 0.045 0.000 2.779 204 I HA 0.206 4.390 4.170 0.023 0.000 0.285 204 I C -0.183 175.961 176.117 0.045 0.000 1.134 204 I CA -0.002 61.330 61.300 0.053 0.000 1.398 204 I CB 0.980 39.016 38.000 0.061 0.000 1.404 204 I HN 0.744 nan 8.210 nan 0.000 0.587 205 A N 5.606 128.451 122.820 0.041 0.000 2.409 205 A HA 0.455 4.789 4.320 0.023 0.000 0.262 205 A C 1.363 178.971 177.584 0.040 0.000 1.113 205 A CA 0.169 52.228 52.037 0.036 0.000 0.790 205 A CB -0.208 18.810 19.000 0.031 0.000 1.046 205 A HN 1.072 nan 8.150 nan 0.000 0.496 206 G N 1.419 110.244 108.800 0.042 0.000 2.556 206 G HA2 -0.338 3.636 3.960 0.023 0.000 0.220 206 G HA3 -0.338 3.636 3.960 0.023 0.000 0.220 206 G C 1.248 176.172 174.900 0.039 0.000 1.156 206 G CA 1.545 46.673 45.100 0.047 0.000 0.766 206 G HN 0.818 nan 8.290 nan 0.000 0.583 207 E N 0.344 120.564 120.200 0.032 0.000 2.130 207 E HA -0.092 4.272 4.350 0.023 0.000 0.196 207 E C 2.483 179.100 176.600 0.028 0.000 0.998 207 E CA 0.750 57.166 56.400 0.028 0.000 0.806 207 E CB -0.445 29.269 29.700 0.024 0.000 0.738 207 E HN 0.506 nan 8.360 nan 0.000 0.459 208 L N -0.299 120.943 121.223 0.031 0.000 2.362 208 L HA -0.072 4.282 4.340 0.023 0.000 0.219 208 L C 1.511 178.397 176.870 0.026 0.000 1.134 208 L CA 0.491 55.349 54.840 0.030 0.000 0.807 208 L CB -0.106 41.975 42.059 0.036 0.000 0.927 208 L HN 0.176 nan 8.230 nan 0.000 0.447 209 L N -0.679 120.560 121.223 0.027 0.000 2.700 209 L HA 0.114 4.468 4.340 0.023 0.000 0.234 209 L C 0.859 177.741 176.870 0.020 0.000 1.156 209 L CA -0.105 54.747 54.840 0.019 0.000 0.946 209 L CB -0.177 41.899 42.059 0.028 0.000 1.216 209 L HN 0.086 nan 8.230 nan 0.000 0.493 210 K N 1.890 122.304 120.400 0.024 0.000 2.350 210 K HA 0.308 4.642 4.320 0.023 0.000 0.279 210 K C -0.431 176.183 176.600 0.023 0.000 1.027 210 K CA -0.259 56.044 56.287 0.026 0.000 0.969 210 K CB 0.807 33.323 32.500 0.026 0.000 0.954 210 K HN 0.042 nan 8.250 nan 0.000 0.474 211 I N 3.264 123.850 120.570 0.026 0.000 2.331 211 I HA 0.100 4.284 4.170 0.023 0.000 0.292 211 I C -0.271 175.898 176.117 0.087 0.000 0.998 211 I CA -0.293 61.029 61.300 0.037 0.000 1.267 211 I CB 1.817 39.812 38.000 -0.008 0.000 1.386 211 I HN 0.558 nan 8.210 nan 0.000 0.476 212 S N 3.636 119.394 115.700 0.097 0.000 2.549 212 S HA 0.636 5.120 4.470 0.023 0.000 0.297 212 S C 0.229 174.871 174.600 0.070 0.000 1.115 212 S CA -0.754 57.492 58.200 0.076 0.000 1.059 212 S CB 1.852 65.056 63.200 0.007 0.000 1.046 212 S HN 0.772 nan 8.310 nan 0.000 0.506 213 G N 0.453 109.254 108.800 0.001 0.000 2.476 213 G HA2 0.659 4.633 3.960 0.023 0.000 0.286 213 G HA3 0.659 4.633 3.960 0.023 0.000 0.286 213 G C -0.668 173.998 174.900 -0.391 0.000 1.177 213 G CA -0.403 44.561 45.100 -0.226 0.000 0.870 213 G HN 0.970 nan 8.290 nan 0.000 0.528 214 A N 1.026 123.372 122.820 -0.790 0.000 2.610 214 A HA 0.883 5.217 4.320 0.023 0.000 0.291 214 A C -0.613 176.494 177.584 -0.796 0.000 1.086 214 A CA -0.785 50.772 52.037 -0.800 0.000 0.677 214 A CB 1.831 20.111 19.000 -1.200 0.000 1.278 214 A HN 0.958 nan 8.150 nan 0.000 0.414 215 R N 0.808 121.121 120.500 -0.310 0.000 2.673 215 R HA 0.714 5.068 4.340 0.023 0.000 0.281 215 R C -1.619 174.866 176.300 0.308 0.000 0.991 215 R CA -0.664 55.468 56.100 0.054 0.000 0.896 215 R CB 1.270 31.619 30.300 0.081 0.000 1.201 215 R HN 0.718 nan 8.270 nan 0.000 0.457 216 L N 1.902 123.385 121.223 0.435 0.000 2.439 216 L HA 0.378 4.732 4.340 0.023 0.000 0.259 216 L C 0.473 177.486 176.870 0.238 0.000 1.129 216 L CA -0.499 54.553 54.840 0.354 0.000 0.803 216 L CB 1.185 43.452 42.059 0.346 0.000 1.161 216 L HN 0.666 nan 8.230 nan 0.000 0.462 217 E N 1.648 121.930 120.200 0.137 0.000 2.338 217 E HA -0.015 4.349 4.350 0.023 0.000 0.272 217 E C -0.546 176.093 176.600 0.065 0.000 1.029 217 E CA -0.569 55.870 56.400 0.064 0.000 0.872 217 E CB 0.765 30.474 29.700 0.015 0.000 1.015 217 E HN 0.389 nan 8.360 nan 0.000 0.417 218 N N 4.521 123.179 118.700 -0.071 0.000 2.402 218 N HA 0.005 4.759 4.740 0.023 0.000 0.252 218 N C -0.528 174.896 175.510 -0.144 0.000 1.118 218 N CA 0.275 53.153 53.050 -0.287 0.000 0.945 218 N CB 0.711 38.854 38.487 -0.574 0.000 1.147 218 N HN 0.502 nan 8.380 nan 0.000 0.495 219 K N 2.251 122.626 120.400 -0.042 0.000 2.592 219 K HA 0.195 4.528 4.320 0.023 0.000 0.203 219 K C 0.542 177.136 176.600 -0.011 0.000 1.070 219 K CA 0.076 56.340 56.287 -0.038 0.000 1.062 219 K CB -0.173 32.301 32.500 -0.043 0.000 0.814 219 K HN 0.676 nan 8.250 nan 0.000 0.502 220 G N 1.752 110.576 108.800 0.039 0.000 2.148 220 G HA2 -0.344 3.629 3.960 0.023 0.000 0.254 220 G HA3 -0.344 3.629 3.960 0.023 0.000 0.254 220 G C 0.515 175.457 174.900 0.070 0.000 0.981 220 G CA 0.816 45.977 45.100 0.101 0.000 0.670 220 G HN 0.481 nan 8.290 nan 0.000 0.528 221 Q N -0.848 118.923 119.800 -0.049 0.000 2.248 221 Q HA 0.058 4.412 4.340 0.023 0.000 0.208 221 Q C 1.740 177.389 176.000 -0.585 0.000 0.984 221 Q CA 1.907 57.459 55.803 -0.418 0.000 0.875 221 Q CB -0.219 28.047 28.738 -0.787 0.000 0.910 221 Q HN 0.733 nan 8.270 nan 0.000 0.433 222 F N -0.588 119.299 119.950 -0.106 0.000 2.661 222 F HA 0.194 4.735 4.527 0.023 0.000 0.306 222 F C 0.682 176.534 175.800 0.086 0.000 1.094 222 F CA -0.496 57.353 58.000 -0.252 0.000 1.254 222 F CB 0.651 39.203 39.000 -0.747 0.000 1.040 222 F HN -0.059 nan 8.300 nan 0.000 0.562 223 D N 0.549 121.128 120.400 0.297 0.000 2.371 223 D HA 0.028 4.682 4.640 0.023 0.000 0.221 223 D C 1.481 177.922 176.300 0.235 0.000 0.986 223 D CA 0.683 54.844 54.000 0.268 0.000 0.899 223 D CB 0.078 40.999 40.800 0.202 0.000 0.902 223 D HN 0.384 nan 8.370 nan 0.000 0.530 224 G N -0.107 108.851 108.800 0.262 0.000 3.302 224 G HA2 0.290 4.263 3.960 0.023 0.000 0.170 224 G HA3 0.290 4.263 3.960 0.023 0.000 0.170 224 G C -0.667 174.391 174.900 0.263 0.000 1.119 224 G CA -0.673 44.555 45.100 0.213 0.000 0.826 224 G HN -0.100 nan 8.290 nan 0.000 0.646 225 K N 2.384 122.882 120.400 0.164 0.000 2.222 225 K HA 0.141 4.475 4.320 0.023 0.000 0.243 225 K C 0.959 177.613 176.600 0.090 0.000 1.160 225 K CA -0.515 55.817 56.287 0.074 0.000 1.090 225 K CB 0.277 32.790 32.500 0.021 0.000 1.694 225 K HN 0.652 nan 8.250 nan 0.000 0.361 226 W N 2.417 123.776 121.300 0.098 0.000 2.678 226 W HA 0.032 4.704 4.660 0.020 0.000 0.256 226 W C -0.406 176.165 176.519 0.087 0.000 1.280 226 W CA -0.229 57.173 57.345 0.094 0.000 1.345 226 W CB -0.426 29.146 29.460 0.187 0.000 1.118 226 W HN 0.127 nan 8.180 nan 0.000 0.629 227 L N 3.018 123.870 121.223 -0.619 0.000 2.290 227 L HA 0.096 4.450 4.340 0.023 0.000 0.284 227 L C 0.289 177.035 176.870 -0.207 0.000 1.078 227 L CA -0.377 54.157 54.840 -0.510 0.000 0.815 227 L CB 0.447 42.077 42.059 -0.715 0.000 1.162 227 L HN -0.286 nan 8.230 nan 0.000 0.435 228 D N 3.233 123.571 120.400 -0.104 0.000 2.349 228 D HA -0.048 4.605 4.640 0.023 0.000 0.266 228 D C 0.885 177.154 176.300 -0.053 0.000 1.293 228 D CA 0.390 54.360 54.000 -0.050 0.000 0.926 228 D CB 0.739 41.528 40.800 -0.017 0.000 1.090 228 D HN 0.500 nan 8.370 nan 0.000 0.502 229 E N 2.293 122.465 120.200 -0.047 0.000 2.478 229 E HA -0.087 4.277 4.350 0.023 0.000 0.198 229 E C 1.097 177.687 176.600 -0.017 0.000 1.046 229 E CA 0.324 56.703 56.400 -0.035 0.000 0.870 229 E CB 0.424 30.105 29.700 -0.032 0.000 0.818 229 E HN 0.265 nan 8.360 nan 0.000 0.527 230 K N 0.819 121.211 120.400 -0.012 0.000 2.365 230 K HA -0.018 4.316 4.320 0.023 0.000 0.197 230 K C 0.266 176.865 176.600 -0.002 0.000 1.042 230 K CA 0.315 56.599 56.287 -0.005 0.000 0.987 230 K CB -0.018 32.480 32.500 -0.004 0.000 0.779 230 K HN 0.027 nan 8.250 nan 0.000 0.484 231 D N 1.415 121.813 120.400 -0.003 0.000 2.365 231 D HA 0.087 4.741 4.640 0.023 0.000 0.237 231 D C -1.901 174.406 176.300 0.012 0.000 1.190 231 D CA -2.379 51.624 54.000 0.004 0.000 0.867 231 D CB 1.497 42.299 40.800 0.003 0.000 1.050 231 D HN -0.169 nan 8.370 nan 0.000 0.491 232 P HA -0.221 nan 4.420 nan 0.000 0.218 232 P C 1.481 178.811 177.300 0.050 0.000 1.154 232 P CA 0.637 63.754 63.100 0.029 0.000 0.872 232 P CB 0.251 31.966 31.700 0.026 0.000 0.790 233 L N -0.594 120.664 121.223 0.059 0.000 1.994 233 L HA -0.195 4.159 4.340 0.023 0.000 0.208 233 L C 2.467 179.393 176.870 0.092 0.000 1.071 233 L CA 1.921 56.822 54.840 0.102 0.000 0.745 233 L CB -1.553 40.574 42.059 0.114 0.000 0.892 233 L HN -0.006 nan 8.230 nan 0.000 0.431 234 Q N -1.292 118.532 119.800 0.039 0.000 2.124 234 Q HA -0.247 4.107 4.340 0.023 0.000 0.202 234 Q C 2.010 178.023 176.000 0.021 0.000 0.977 234 Q CA 1.653 57.454 55.803 -0.002 0.000 0.850 234 Q CB -0.282 28.421 28.738 -0.057 0.000 0.901 234 Q HN 0.519 nan 8.270 nan 0.000 0.429 235 N N 0.513 119.223 118.700 0.017 0.000 2.120 235 N HA -0.148 4.606 4.740 0.023 0.000 0.188 235 N C 1.543 177.070 175.510 0.029 0.000 1.024 235 N CA 1.457 54.513 53.050 0.010 0.000 0.852 235 N CB -0.144 38.348 38.487 0.009 0.000 1.003 235 N HN 0.247 nan 8.380 nan 0.000 0.424 236 A N -0.844 122.018 122.820 0.070 0.000 1.933 236 A HA -0.141 4.193 4.320 0.023 0.000 0.218 236 A C 2.145 179.787 177.584 0.097 0.000 1.175 236 A CA 1.199 53.303 52.037 0.112 0.000 0.628 236 A CB -1.109 17.999 19.000 0.179 0.000 0.814 236 A HN 0.577 nan 8.150 nan 0.000 0.444 237 Y N 0.514 120.742 120.300 -0.119 0.000 2.145 237 Y HA -0.168 4.396 4.550 0.023 0.000 0.286 237 Y C 2.324 178.078 175.900 -0.244 0.000 1.145 237 Y CA 1.978 59.825 58.100 -0.423 0.000 1.148 237 Y CB -0.296 37.870 38.460 -0.491 0.000 0.981 237 Y HN 0.062 nan 8.280 nan 0.000 0.507 238 V N 0.612 120.460 119.914 -0.110 0.000 2.407 238 V HA -0.305 3.828 4.120 0.023 0.000 0.248 238 V C 2.252 178.261 176.094 -0.141 0.000 1.055 238 V CA 2.002 64.222 62.300 -0.133 0.000 1.049 238 V CB -0.669 31.116 31.823 -0.063 0.000 0.662 238 V HN 0.418 nan 8.190 nan 0.000 0.455 239 Q N -0.167 119.583 119.800 -0.084 0.000 2.291 239 Q HA -0.074 4.280 4.340 0.023 0.000 0.206 239 Q C 2.211 178.172 176.000 -0.065 0.000 0.976 239 Q CA 1.729 57.502 55.803 -0.051 0.000 0.875 239 Q CB -0.540 28.192 28.738 -0.010 0.000 0.927 239 Q HN 0.690 nan 8.270 nan 0.000 0.450 240 A N -0.116 122.639 122.820 -0.109 0.000 1.997 240 A HA 0.035 4.369 4.320 0.023 0.000 0.212 240 A C 1.373 178.855 177.584 -0.171 0.000 1.178 240 A CA 0.900 52.886 52.037 -0.086 0.000 0.698 240 A CB 0.109 19.145 19.000 0.060 0.000 0.842 240 A HN 0.382 nan 8.150 nan 0.000 0.458 241 N N -1.984 116.508 118.700 -0.346 0.000 2.193 241 N HA 0.409 5.163 4.740 0.023 0.000 0.210 241 N C 0.535 175.943 175.510 -0.171 0.000 1.215 241 N CA 0.636 53.502 53.050 -0.307 0.000 0.901 241 N CB 1.367 39.518 38.487 -0.560 0.000 1.060 241 N HN 0.643 nan 8.380 nan 0.000 0.508 242 G N 0.701 109.407 108.800 -0.156 0.000 2.728 242 G HA2 -0.222 3.752 3.960 0.023 0.000 0.294 242 G HA3 -0.222 3.752 3.960 0.023 0.000 0.294 242 G C -0.902 173.984 174.900 -0.024 0.000 1.342 242 G CA -0.763 44.303 45.100 -0.058 0.000 0.866 242 G HN 0.034 nan 8.290 nan 0.000 0.534 243 Q N -0.011 119.794 119.800 0.008 0.000 3.254 243 Q HA 0.385 4.739 4.340 0.023 0.000 0.315 243 Q C 0.454 176.590 176.000 0.226 0.000 1.405 243 Q CA 0.676 56.466 55.803 -0.022 0.000 0.966 243 Q CB 0.077 28.793 28.738 -0.037 0.000 1.706 243 Q HN 1.541 nan 8.270 nan 0.000 0.525 244 V N -1.017 119.055 119.914 0.263 0.000 3.012 244 V HA 0.455 4.589 4.120 0.023 0.000 0.307 244 V C 0.151 176.459 176.094 0.357 0.000 1.166 244 V CA -0.641 61.866 62.300 0.344 0.000 0.974 244 V CB 1.953 33.896 31.823 0.200 0.000 1.040 244 V HN 0.385 nan 8.190 nan 0.000 0.428 245 I N 2.076 122.826 120.570 0.301 0.000 3.565 245 I HA 0.469 4.653 4.170 0.023 0.000 0.287 245 I C 0.593 176.763 176.117 0.089 0.000 1.193 245 I CA 0.385 61.801 61.300 0.194 0.000 1.402 245 I CB 0.252 38.310 38.000 0.097 0.000 1.284 245 I HN 0.885 nan 8.210 nan 0.000 0.454 246 N N -0.456 118.270 118.700 0.044 0.000 3.316 246 N HA 0.179 4.933 4.740 0.023 0.000 0.300 246 N C -0.171 175.363 175.510 0.039 0.000 1.567 246 N CA -0.625 52.443 53.050 0.030 0.000 0.821 246 N CB 1.016 39.503 38.487 0.000 0.000 1.748 246 N HN -0.136 nan 8.380 nan 0.000 0.603 247 Q N -0.195 119.628 119.800 0.038 0.000 2.297 247 Q HA 0.012 4.365 4.340 0.023 0.000 0.204 247 Q C -0.737 175.299 176.000 0.059 0.000 0.962 247 Q CA 1.463 57.295 55.803 0.048 0.000 0.879 247 Q CB -0.358 28.402 28.738 0.038 0.000 0.947 247 Q HN 0.576 nan 8.270 nan 0.000 0.462 248 D N -0.569 119.861 120.400 0.051 0.000 2.330 248 D HA 0.125 4.779 4.640 0.023 0.000 0.249 248 D C -2.110 174.226 176.300 0.061 0.000 1.306 248 D CA -1.758 52.302 54.000 0.100 0.000 0.956 248 D CB 1.348 42.217 40.800 0.114 0.000 1.261 248 D HN -0.119 nan 8.370 nan 0.000 0.544 249 P HA -0.097 nan 4.420 nan 0.000 0.234 249 P C 0.585 177.720 177.300 -0.275 0.000 1.167 249 P CA 0.543 63.404 63.100 -0.399 0.000 0.763 249 P CB 0.017 31.160 31.700 -0.927 0.000 0.835 250 Y N -1.772 118.631 120.300 0.171 0.000 2.482 250 Y HA 0.101 4.666 4.550 0.024 0.000 0.270 250 Y C 1.646 177.744 175.900 0.331 0.000 1.152 250 Y CA -0.020 58.261 58.100 0.300 0.000 1.292 250 Y CB -0.381 38.217 38.460 0.230 0.000 1.070 250 Y HN 0.089 nan 8.280 nan 0.000 0.528 251 H N 0.381 119.608 119.070 0.261 0.000 2.463 251 H HA 0.285 4.855 4.556 0.023 0.000 0.332 251 H C -1.162 174.237 175.328 0.119 0.000 1.127 251 H CA -0.538 55.586 56.048 0.127 0.000 1.238 251 H CB 1.120 30.860 29.762 -0.038 0.000 1.478 251 H HN 0.164 nan 8.280 nan 0.000 0.499 252 Y N 2.428 122.242 120.300 -0.809 0.000 2.644 252 Y HA 0.483 5.046 4.550 0.021 0.000 0.338 252 Y C -2.060 173.382 175.900 -0.764 0.000 1.119 252 Y CA -1.367 56.385 58.100 -0.580 0.000 1.060 252 Y CB 0.766 39.097 38.460 -0.216 0.000 1.294 252 Y HN 0.384 nan 8.280 nan 0.000 0.472 253 Y N 0.322 120.528 120.300 -0.157 0.000 2.509 253 Y HA 0.687 5.252 4.550 0.025 0.000 0.341 253 Y C 0.143 175.997 175.900 -0.078 0.000 1.038 253 Y CA -0.550 57.453 58.100 -0.161 0.000 1.089 253 Y CB 2.570 40.987 38.460 -0.071 0.000 1.241 253 Y HN 0.803 nan 8.280 nan 0.000 0.468 254 T N 1.007 115.605 114.554 0.072 0.000 2.907 254 T HA 0.858 5.222 4.350 0.023 0.000 0.292 254 T C -0.843 173.873 174.700 0.027 0.000 1.043 254 T CA -0.776 61.348 62.100 0.041 0.000 1.003 254 T CB 1.601 70.481 68.868 0.020 0.000 1.084 254 T HN 0.678 nan 8.240 nan 0.000 0.483 255 I N -1.253 119.313 120.570 -0.007 0.000 2.994 255 I HA 0.738 4.922 4.170 0.023 0.000 0.306 255 I C -0.076 176.034 176.117 -0.013 0.000 1.195 255 I CA -1.240 60.053 61.300 -0.012 0.000 1.001 255 I CB 2.386 40.367 38.000 -0.033 0.000 1.244 255 I HN 0.858 nan 8.210 nan 0.000 0.437 256 T N -0.998 113.560 114.554 0.006 0.000 2.882 256 T HA 0.268 4.632 4.350 0.023 0.000 0.287 256 T C 0.701 175.424 174.700 0.038 0.000 1.014 256 T CA -0.173 61.943 62.100 0.027 0.000 1.049 256 T CB 1.692 70.582 68.868 0.037 0.000 1.001 256 T HN 0.853 nan 8.240 nan 0.000 0.525 257 E N 0.336 120.583 120.200 0.079 0.000 2.153 257 E HA -0.152 4.212 4.350 0.023 0.000 0.194 257 E C 2.290 178.950 176.600 0.100 0.000 0.988 257 E CA 1.327 57.802 56.400 0.126 0.000 0.811 257 E CB -0.111 29.693 29.700 0.173 0.000 0.746 257 E HN 0.843 nan 8.360 nan 0.000 0.466 258 S N 0.045 115.796 115.700 0.085 0.000 2.402 258 S HA -0.042 4.442 4.470 0.023 0.000 0.229 258 S C 2.110 176.737 174.600 0.044 0.000 1.021 258 S CA 0.779 59.029 58.200 0.083 0.000 0.974 258 S CB 0.071 63.319 63.200 0.080 0.000 0.800 258 S HN 0.277 nan 8.310 nan 0.000 0.484 259 A N 1.493 124.325 122.820 0.020 0.000 1.968 259 A HA 0.021 4.355 4.320 0.023 0.000 0.217 259 A C 2.190 179.740 177.584 -0.057 0.000 1.169 259 A CA 1.279 53.305 52.037 -0.018 0.000 0.638 259 A CB -0.666 18.320 19.000 -0.023 0.000 0.812 259 A HN 0.653 nan 8.150 nan 0.000 0.446 260 E N -0.213 119.967 120.200 -0.034 0.000 2.106 260 E HA -0.223 4.141 4.350 0.023 0.000 0.192 260 E C 2.109 178.627 176.600 -0.138 0.000 0.984 260 E CA 1.175 57.534 56.400 -0.069 0.000 0.806 260 E CB -0.119 29.593 29.700 0.019 0.000 0.750 260 E HN 0.756 nan 8.360 nan 0.000 0.458 261 Q N 0.173 119.939 119.800 -0.058 0.000 2.135 261 Q HA -0.218 4.136 4.340 0.023 0.000 0.204 261 Q C 1.978 177.913 176.000 -0.108 0.000 0.981 261 Q CA 1.598 57.356 55.803 -0.074 0.000 0.856 261 Q CB -0.033 28.728 28.738 0.039 0.000 0.902 261 Q HN 0.124 nan 8.270 nan 0.000 0.425 262 E N 0.665 120.819 120.200 -0.077 0.000 2.106 262 E HA -0.124 4.240 4.350 0.023 0.000 0.192 262 E C 1.663 178.138 176.600 -0.209 0.000 0.984 262 E CA 0.866 57.219 56.400 -0.078 0.000 0.806 262 E CB -0.082 29.597 29.700 -0.035 0.000 0.750 262 E HN 0.299 nan 8.360 nan 0.000 0.458 263 L N -0.069 120.981 121.223 -0.290 0.000 2.093 263 L HA -0.109 4.245 4.340 0.023 0.000 0.208 263 L C 2.399 179.036 176.870 -0.388 0.000 1.085 263 L CA 0.854 55.443 54.840 -0.419 0.000 0.755 263 L CB -0.349 41.510 42.059 -0.334 0.000 0.904 263 L HN 0.205 nan 8.230 nan 0.000 0.435 264 I N -0.148 120.117 120.570 -0.509 0.000 2.179 264 I HA -0.334 3.850 4.170 0.023 0.000 0.242 264 I C 2.721 178.708 176.117 -0.217 0.000 1.088 264 I CA 1.423 62.368 61.300 -0.593 0.000 1.357 264 I CB -0.297 37.332 38.000 -0.619 0.000 1.051 264 I HN 0.247 nan 8.210 nan 0.000 0.409 265 K N 1.074 121.378 120.400 -0.160 0.000 2.009 265 K HA -0.215 4.119 4.320 0.023 0.000 0.210 265 K C 2.224 178.825 176.600 0.001 0.000 1.049 265 K CA 1.685 57.954 56.287 -0.030 0.000 0.929 265 K CB -0.151 32.356 32.500 0.012 0.000 0.714 265 K HN 0.300 nan 8.250 nan 0.000 0.440 266 A N 0.497 123.213 122.820 -0.173 0.000 1.877 266 A HA -0.154 4.180 4.320 0.023 0.000 0.216 266 A C 2.200 179.714 177.584 -0.115 0.000 1.186 266 A CA 2.267 54.049 52.037 -0.425 0.000 0.620 266 A CB -1.087 17.292 19.000 -1.035 0.000 0.822 266 A HN 0.438 nan 8.150 nan 0.000 0.443 267 T N 0.522 115.063 114.554 -0.022 0.000 2.684 267 T HA -0.184 4.180 4.350 0.023 0.000 0.267 267 T C 1.752 176.515 174.700 0.106 0.000 1.036 267 T CA 1.846 64.013 62.100 0.111 0.000 1.148 267 T CB -0.606 68.388 68.868 0.210 0.000 0.863 267 T HN 0.701 nan 8.240 nan 0.000 0.436 268 N N 0.347 119.120 118.700 0.122 0.000 2.120 268 N HA -0.109 4.645 4.740 0.023 0.000 0.188 268 N C 2.069 177.714 175.510 0.226 0.000 1.024 268 N CA 1.008 54.166 53.050 0.179 0.000 0.852 268 N CB -0.060 38.530 38.487 0.172 0.000 1.003 268 N HN 0.511 nan 8.380 nan 0.000 0.424 269 E N 1.171 121.490 120.200 0.197 0.000 2.047 269 E HA -0.128 4.236 4.350 0.023 0.000 0.191 269 E C 1.909 178.496 176.600 -0.022 0.000 0.987 269 E CA 0.748 57.228 56.400 0.134 0.000 0.799 269 E CB 0.060 29.873 29.700 0.189 0.000 0.752 269 E HN 0.298 nan 8.360 nan 0.000 0.449 270 L N -0.134 121.093 121.223 0.008 0.000 2.141 270 L HA -0.161 4.193 4.340 0.023 0.000 0.209 270 L C 2.582 179.532 176.870 0.132 0.000 1.094 270 L CA 1.302 56.137 54.840 -0.008 0.000 0.763 270 L CB -0.508 41.549 42.059 -0.003 0.000 0.908 270 L HN 0.293 nan 8.230 nan 0.000 0.437 271 H N 0.479 119.563 119.070 0.024 0.000 2.319 271 H HA -0.165 4.480 4.556 0.149 0.000 0.299 271 H C 2.150 177.623 175.328 0.240 0.000 1.092 271 H CA 1.751 57.872 56.048 0.121 0.000 1.302 271 H CB 0.010 29.851 29.762 0.131 0.000 1.373 271 H HN 0.160 nan 8.280 nan 0.000 0.497 272 L N -0.608 120.726 121.223 0.184 0.000 2.141 272 L HA -0.146 4.208 4.340 0.023 0.000 0.209 272 L C 2.524 179.424 176.870 0.050 0.000 1.094 272 L CA 1.168 56.087 54.840 0.133 0.000 0.763 272 L CB -0.346 41.830 42.059 0.196 0.000 0.908 272 L HN 0.410 nan 8.230 nan 0.000 0.437 273 M N -1.681 117.858 119.600 -0.102 0.000 2.175 273 M HA -0.220 4.274 4.480 0.023 0.000 0.264 273 M C 2.227 178.539 176.300 0.020 0.000 1.063 273 M CA 1.941 57.095 55.300 -0.243 0.000 1.119 273 M CB -0.371 31.797 32.600 -0.720 0.000 1.377 273 M HN 0.089 nan 8.290 nan 0.000 0.415 274 Y N 0.349 120.645 120.300 -0.007 0.000 2.242 274 Y HA -0.152 4.422 4.550 0.040 0.000 0.291 274 Y C 2.068 177.996 175.900 0.046 0.000 1.137 274 Y CA 1.272 59.413 58.100 0.069 0.000 1.181 274 Y CB -0.194 38.369 38.460 0.172 0.000 0.989 274 Y HN 0.134 nan 8.280 nan 0.000 0.527 275 L N -1.324 120.004 121.223 0.176 0.000 2.109 275 L HA -0.235 4.119 4.340 0.023 0.000 0.207 275 L C 2.496 179.475 176.870 0.182 0.000 1.086 275 L CA 1.344 56.275 54.840 0.151 0.000 0.760 275 L CB -0.671 41.495 42.059 0.178 0.000 0.910 275 L HN 0.387 nan 8.230 nan 0.000 0.437 276 H N 0.403 119.543 119.070 0.117 0.000 2.326 276 H HA -0.150 4.418 4.556 0.019 0.000 0.301 276 H C 2.160 177.519 175.328 0.052 0.000 1.081 276 H CA 1.427 57.552 56.048 0.128 0.000 1.334 276 H CB 0.424 30.313 29.762 0.211 0.000 1.385 276 H HN 0.329 nan 8.280 nan 0.000 0.504 277 A N 0.179 123.031 122.820 0.054 0.000 1.933 277 A HA -0.147 4.187 4.320 0.023 0.000 0.218 277 A C 2.575 180.049 177.584 -0.183 0.000 1.175 277 A CA 1.946 53.939 52.037 -0.073 0.000 0.628 277 A CB -0.985 18.015 19.000 -0.000 0.000 0.814 277 A HN 0.504 nan 8.150 nan 0.000 0.444 278 T N -0.268 114.151 114.554 -0.225 0.000 2.684 278 T HA -0.176 4.188 4.350 0.023 0.000 0.267 278 T C 1.677 175.954 174.700 -0.705 0.000 1.036 278 T CA 1.826 63.622 62.100 -0.508 0.000 1.148 278 T CB -0.447 67.985 68.868 -0.726 0.000 0.863 278 T HN 0.690 nan 8.240 nan 0.000 0.436 279 D N 0.406 120.488 120.400 -0.529 0.000 2.092 279 D HA -0.113 4.541 4.640 0.023 0.000 0.193 279 D C 2.169 178.311 176.300 -0.263 0.000 0.994 279 D CA 1.167 55.010 54.000 -0.262 0.000 0.828 279 D CB -0.026 40.853 40.800 0.132 0.000 0.963 279 D HN 0.054 nan 8.370 nan 0.000 0.450 280 K N -0.296 119.926 120.400 -0.297 0.000 2.103 280 K HA -0.066 4.268 4.320 0.023 0.000 0.207 280 K C 2.029 178.488 176.600 -0.235 0.000 1.048 280 K CA 0.556 56.687 56.287 -0.260 0.000 0.930 280 K CB -0.582 31.737 32.500 -0.302 0.000 0.716 280 K HN 0.083 nan 8.250 nan 0.000 0.444 281 V N 0.723 120.468 119.914 -0.281 0.000 2.307 281 V HA -0.191 3.943 4.120 0.023 0.000 0.245 281 V C 1.960 177.827 176.094 -0.378 0.000 1.045 281 V CA 1.528 63.643 62.300 -0.309 0.000 1.024 281 V CB -0.369 31.209 31.823 -0.408 0.000 0.651 281 V HN 0.256 nan 8.190 nan 0.000 0.449 282 L N -0.590 120.375 121.223 -0.430 0.000 2.633 282 L HA -0.096 4.258 4.340 0.023 0.000 0.235 282 L C 2.181 178.910 176.870 -0.234 0.000 1.163 282 L CA 1.138 55.750 54.840 -0.380 0.000 0.859 282 L CB -0.461 41.340 42.059 -0.430 0.000 0.973 282 L HN 0.318 nan 8.230 nan 0.000 0.451 283 K N -1.033 119.249 120.400 -0.195 0.000 2.352 283 K HA 0.034 4.368 4.320 0.023 0.000 0.194 283 K C 0.068 176.597 176.600 -0.118 0.000 1.038 283 K CA 0.085 56.301 56.287 -0.119 0.000 1.023 283 K CB 0.462 32.909 32.500 -0.089 0.000 0.840 283 K HN 0.005 nan 8.250 nan 0.000 0.519 284 D N 0.491 120.797 120.400 -0.158 0.000 2.505 284 D HA 0.075 4.729 4.640 0.023 0.000 0.250 284 D C -0.113 176.082 176.300 -0.175 0.000 1.164 284 D CA -0.319 53.603 54.000 -0.129 0.000 0.870 284 D CB 1.464 42.202 40.800 -0.103 0.000 1.160 284 D HN -0.172 nan 8.370 nan 0.000 0.549 285 D N 2.253 122.572 120.400 -0.136 0.000 2.182 285 D HA -0.156 4.498 4.640 0.023 0.000 0.201 285 D C 1.276 177.510 176.300 -0.109 0.000 0.986 285 D CA 0.798 54.707 54.000 -0.152 0.000 0.847 285 D CB 0.313 41.139 40.800 0.042 0.000 0.942 285 D HN 0.413 nan 8.370 nan 0.000 0.467 286 N N -0.024 118.641 118.700 -0.058 0.000 2.166 286 N HA -0.072 4.682 4.740 0.023 0.000 0.186 286 N C 1.949 177.431 175.510 -0.046 0.000 1.019 286 N CA 0.446 53.477 53.050 -0.030 0.000 0.856 286 N CB -0.160 38.313 38.487 -0.023 0.000 0.993 286 N HN 0.300 nan 8.380 nan 0.000 0.426 287 L N -0.153 121.028 121.223 -0.070 0.000 2.095 287 L HA -0.024 4.330 4.340 0.023 0.000 0.204 287 L C 2.123 178.995 176.870 0.004 0.000 1.080 287 L CA 0.339 55.169 54.840 -0.016 0.000 0.759 287 L CB -0.350 41.691 42.059 -0.030 0.000 0.914 287 L HN 0.104 nan 8.230 nan 0.000 0.439 288 L N 0.843 121.920 121.223 -0.244 0.000 2.083 288 L HA -0.120 4.234 4.340 0.023 0.000 0.209 288 L C 2.604 179.351 176.870 -0.205 0.000 1.083 288 L CA 1.956 56.515 54.840 -0.468 0.000 0.752 288 L CB -0.866 40.575 42.059 -1.030 0.000 0.899 288 L HN 0.151 nan 8.230 nan 0.000 0.433 289 A N -0.839 121.922 122.820 -0.099 0.000 2.076 289 A HA -0.159 4.175 4.320 0.023 0.000 0.220 289 A C 2.223 179.907 177.584 0.166 0.000 1.160 289 A CA 1.625 53.798 52.037 0.226 0.000 0.653 289 A CB -0.831 18.319 19.000 0.249 0.000 0.801 289 A HN 0.525 nan 8.150 nan 0.000 0.455 290 L N -2.051 119.233 121.223 0.102 0.000 2.362 290 L HA -0.083 4.270 4.340 0.023 0.000 0.219 290 L C 1.675 178.534 176.870 -0.019 0.000 1.134 290 L CA 0.601 55.401 54.840 -0.068 0.000 0.807 290 L CB -0.357 41.555 42.059 -0.245 0.000 0.927 290 L HN 0.375 nan 8.230 nan 0.000 0.447 291 F N -0.483 119.479 119.950 0.021 0.000 2.780 291 F HA -0.028 4.510 4.527 0.019 0.000 0.299 291 F C 0.774 176.643 175.800 0.115 0.000 1.146 291 F CA -0.008 58.037 58.000 0.074 0.000 1.428 291 F CB -0.353 38.671 39.000 0.041 0.000 1.115 291 F HN 0.056 nan 8.300 nan 0.000 0.583 292 D N 0.650 121.209 120.400 0.265 0.000 2.837 292 D HA -0.216 4.438 4.640 0.023 0.000 0.230 292 D C -0.027 176.416 176.300 0.239 0.000 1.152 292 D CA 0.623 54.751 54.000 0.214 0.000 0.736 292 D CB -1.485 39.405 40.800 0.150 0.000 1.084 292 D HN 0.217 nan 8.370 nan 0.000 0.429 293 I N 0.277 121.029 120.570 0.303 0.000 2.440 293 I HA 0.223 4.407 4.170 0.023 0.000 0.294 293 I C -1.784 174.417 176.117 0.140 0.000 0.995 293 I CA -1.960 59.456 61.300 0.194 0.000 1.306 293 I CB 0.989 39.096 38.000 0.179 0.000 1.407 293 I HN -0.317 nan 8.210 nan 0.000 0.501 294 P HA 0.022 nan 4.420 nan 0.000 0.263 294 P C 0.152 177.260 177.300 -0.320 0.000 1.195 294 P CA 0.029 63.038 63.100 -0.152 0.000 0.762 294 P CB 0.416 32.017 31.700 -0.164 0.000 0.799 295 K N 2.512 122.569 120.400 -0.572 0.000 2.160 295 K HA -0.196 4.137 4.320 0.023 0.000 0.206 295 K C 1.664 177.879 176.600 -0.642 0.000 1.047 295 K CA 1.224 56.808 56.287 -1.171 0.000 0.930 295 K CB -0.452 31.459 32.500 -0.981 0.000 0.720 295 K HN 0.379 nan 8.250 nan 0.000 0.450 296 I N 1.309 121.700 120.570 -0.299 0.000 2.454 296 I HA -0.223 3.961 4.170 0.023 0.000 0.254 296 I C 1.661 177.702 176.117 -0.128 0.000 1.156 296 I CA 1.239 62.446 61.300 -0.155 0.000 1.433 296 I CB 0.055 37.994 38.000 -0.101 0.000 1.082 296 I HN 0.098 nan 8.210 nan 0.000 0.432 297 L N -1.831 119.307 121.223 -0.142 0.000 2.341 297 L HA -0.100 4.254 4.340 0.023 0.000 0.214 297 L C 2.073 179.008 176.870 0.108 0.000 1.115 297 L CA 0.094 54.889 54.840 -0.075 0.000 0.820 297 L CB -0.662 41.252 42.059 -0.242 0.000 0.944 297 L HN 0.309 nan 8.230 nan 0.000 0.452 298 W N 1.115 122.332 121.300 -0.137 0.000 2.290 298 W HA -0.178 4.498 4.660 0.026 0.000 0.328 298 W C -0.167 176.306 176.519 -0.078 0.000 1.272 298 W CA 1.250 58.530 57.345 -0.109 0.000 1.262 298 W CB -2.483 26.927 29.460 -0.084 0.000 1.151 298 W HN 0.148 nan 8.180 nan 0.000 0.473 299 P HA -0.164 nan 4.420 nan 0.000 0.216 299 P C 1.731 179.069 177.300 0.063 0.000 1.150 299 P CA 2.130 65.288 63.100 0.098 0.000 0.837 299 P CB -0.124 31.619 31.700 0.071 0.000 0.786 300 R N -1.091 119.437 120.500 0.046 0.000 2.075 300 R HA -0.049 4.305 4.340 0.023 0.000 0.232 300 R C 2.139 178.454 176.300 0.024 0.000 1.126 300 R CA 0.977 57.093 56.100 0.026 0.000 0.963 300 R CB -1.490 28.808 30.300 -0.003 0.000 0.858 300 R HN 0.209 nan 8.270 nan 0.000 0.435 301 L N 1.074 122.300 121.223 0.005 0.000 2.013 301 L HA -0.210 4.144 4.340 0.023 0.000 0.212 301 L C 2.501 179.401 176.870 0.050 0.000 1.073 301 L CA 1.818 56.652 54.840 -0.010 0.000 0.753 301 L CB -0.502 41.507 42.059 -0.084 0.000 0.890 301 L HN 0.063 nan 8.230 nan 0.000 0.432 302 R N -1.319 119.201 120.500 0.034 0.000 2.075 302 R HA -0.106 4.248 4.340 0.023 0.000 0.232 302 R C 2.284 178.654 176.300 0.117 0.000 1.126 302 R CA 1.115 57.258 56.100 0.072 0.000 0.963 302 R CB -0.401 29.921 30.300 0.037 0.000 0.858 302 R HN 0.289 nan 8.270 nan 0.000 0.435 303 L N -0.165 121.111 121.223 0.087 0.000 2.017 303 L HA -0.230 4.124 4.340 0.023 0.000 0.208 303 L C 2.607 179.545 176.870 0.114 0.000 1.073 303 L CA 1.403 56.292 54.840 0.082 0.000 0.745 303 L CB -0.554 41.545 42.059 0.067 0.000 0.894 303 L HN 0.266 nan 8.230 nan 0.000 0.432 304 S N -0.526 115.263 115.700 0.149 0.000 2.365 304 S HA -0.294 4.189 4.470 0.023 0.000 0.225 304 S C 1.854 176.662 174.600 0.346 0.000 1.039 304 S CA 1.574 59.920 58.200 0.243 0.000 1.033 304 S CB -0.525 62.815 63.200 0.233 0.000 0.887 304 S HN 0.592 nan 8.310 nan 0.000 0.447 305 W N 1.677 122.996 121.300 0.031 0.000 2.342 305 W HA -0.189 4.476 4.660 0.007 0.000 0.297 305 W C 2.335 178.702 176.519 -0.254 0.000 1.213 305 W CA 1.558 58.740 57.345 -0.272 0.000 1.251 305 W CB -0.315 28.991 29.460 -0.258 0.000 1.136 305 W HN 0.516 nan 8.180 nan 0.000 0.526 306 Q N 0.427 120.184 119.800 -0.070 0.000 2.062 306 Q HA -0.167 4.187 4.340 0.023 0.000 0.196 306 Q C 2.308 178.208 176.000 -0.168 0.000 0.967 306 Q CA 1.206 56.894 55.803 -0.192 0.000 0.832 306 Q CB -0.207 28.499 28.738 -0.055 0.000 0.899 306 Q HN 0.288 nan 8.270 nan 0.000 0.442 307 R N -0.530 119.943 120.500 -0.046 0.000 2.127 307 R HA 0.098 4.452 4.340 0.023 0.000 0.217 307 R C 1.299 177.591 176.300 -0.013 0.000 1.074 307 R CA 0.452 56.556 56.100 0.007 0.000 0.991 307 R CB 0.274 30.624 30.300 0.083 0.000 0.895 307 R HN 0.068 nan 8.270 nan 0.000 0.450 308 R N 0.761 121.273 120.500 0.020 0.000 2.552 308 R HA 0.136 4.490 4.340 0.023 0.000 0.314 308 R C 1.243 177.528 176.300 -0.024 0.000 1.041 308 R CA -0.150 55.974 56.100 0.040 0.000 1.076 308 R CB 0.225 30.753 30.300 0.381 0.000 1.290 308 R HN -0.002 nan 8.270 nan 0.000 0.563 309 R N 1.168 121.416 120.500 -0.420 0.000 2.119 309 R HA -0.158 4.196 4.340 0.023 0.000 0.246 309 R C 0.925 176.886 176.300 -0.564 0.000 1.146 309 R CA 1.804 57.414 56.100 -0.816 0.000 0.962 309 R CB -0.283 29.399 30.300 -1.030 0.000 0.863 309 R HN 0.350 nan 8.270 nan 0.000 0.442 310 H N -1.347 117.571 119.070 -0.253 0.000 2.505 310 H HA 0.144 4.711 4.556 0.018 0.000 0.289 310 H C 0.282 175.731 175.328 0.201 0.000 1.052 310 H CA 0.040 56.083 56.048 -0.008 0.000 1.156 310 H CB 0.417 30.183 29.762 0.007 0.000 1.507 310 H HN 0.350 nan 8.280 nan 0.000 0.548 311 H N -0.308 118.997 119.070 0.391 0.000 2.594 311 H HA 0.111 4.679 4.556 0.020 0.000 0.279 311 H C 0.934 176.462 175.328 0.333 0.000 1.042 311 H CA -0.295 55.969 56.048 0.362 0.000 1.177 311 H CB 0.421 30.350 29.762 0.279 0.000 1.524 311 H HN 0.285 nan 8.280 nan 0.000 0.537 312 M N 1.369 121.235 119.600 0.443 0.000 2.252 312 M HA -0.019 4.475 4.480 0.023 0.000 0.348 312 M C 0.271 176.668 176.300 0.161 0.000 1.334 312 M CA 0.143 55.599 55.300 0.260 0.000 1.071 312 M CB 0.535 33.323 32.600 0.314 0.000 1.763 312 M HN -0.044 nan 8.290 nan 0.000 0.452 313 I N 2.348 122.938 120.570 0.034 0.000 2.512 313 I HA 0.106 4.290 4.170 0.023 0.000 0.247 313 I C 1.239 177.298 176.117 -0.096 0.000 1.094 313 I CA 0.969 62.142 61.300 -0.211 0.000 1.427 313 I CB -0.420 37.190 38.000 -0.651 0.000 1.149 313 I HN 0.749 nan 8.210 nan 0.000 0.438 314 T N -0.682 113.890 114.554 0.030 0.000 2.885 314 T HA 0.670 5.034 4.350 0.023 0.000 0.322 314 T C -0.889 173.954 174.700 0.238 0.000 1.387 314 T CA -0.262 61.926 62.100 0.147 0.000 1.041 314 T CB 1.855 70.819 68.868 0.161 0.000 1.287 314 T HN 0.385 nan 8.240 nan 0.000 0.491 315 G N 1.491 110.488 108.800 0.328 0.000 2.684 315 G HA2 0.698 4.672 3.960 0.023 0.000 0.290 315 G HA3 0.698 4.672 3.960 0.023 0.000 0.290 315 G C -1.832 173.305 174.900 0.395 0.000 1.425 315 G CA -0.809 44.482 45.100 0.319 0.000 0.822 315 G HN 0.742 nan 8.290 nan 0.000 0.482 316 R N 0.448 121.126 120.500 0.297 0.000 2.513 316 R HA 0.623 4.977 4.340 0.023 0.000 0.301 316 R C -0.778 175.575 176.300 0.089 0.000 0.968 316 R CA -0.679 55.481 56.100 0.099 0.000 0.872 316 R CB 1.502 31.782 30.300 -0.034 0.000 1.177 316 R HN 0.492 nan 8.270 nan 0.000 0.444 317 M N 2.934 122.493 119.600 -0.068 0.000 2.264 317 M HA 0.266 4.760 4.480 0.023 0.000 0.352 317 M C -1.028 175.116 176.300 -0.261 0.000 1.173 317 M CA -0.470 54.679 55.300 -0.251 0.000 1.075 317 M CB 1.639 33.948 32.600 -0.486 0.000 1.621 317 M HN 0.483 nan 8.290 nan 0.000 0.457 318 D N 3.622 123.842 120.400 -0.300 0.000 2.280 318 D HA 0.469 5.123 4.640 0.023 0.000 0.236 318 D C -1.267 174.875 176.300 -0.263 0.000 1.082 318 D CA 0.284 54.210 54.000 -0.122 0.000 0.834 318 D CB 0.807 41.634 40.800 0.045 0.000 1.100 318 D HN 0.230 nan 8.370 nan 0.000 0.486 319 F N 0.418 120.292 119.950 -0.126 0.000 2.577 319 F HA 0.363 4.875 4.527 -0.025 0.000 0.318 319 F C 0.047 175.659 175.800 -0.313 0.000 1.065 319 F CA -1.123 56.695 58.000 -0.303 0.000 0.929 319 F CB 1.608 40.470 39.000 -0.229 0.000 1.237 319 F HN 0.194 nan 8.300 nan 0.000 0.468 320 C N 5.058 124.210 119.300 -0.246 0.000 2.281 320 C HA 0.789 5.263 4.460 0.023 0.000 0.325 320 C C -0.538 174.485 174.990 0.055 0.000 1.282 320 C CA -0.582 58.404 59.018 -0.054 0.000 1.640 320 C CB -0.480 27.267 27.740 0.011 0.000 2.288 320 C HN 0.851 nan 8.230 nan 0.000 0.507 321 M N 7.334 126.980 119.600 0.078 0.000 2.263 321 M HA 0.575 5.069 4.480 0.023 0.000 0.295 321 M C -1.611 174.736 176.300 0.078 0.000 1.028 321 M CA 0.069 55.401 55.300 0.053 0.000 0.921 321 M CB 1.537 34.108 32.600 -0.048 0.000 1.601 321 M HN 0.969 nan 8.290 nan 0.000 0.440 322 D N 2.344 122.807 120.400 0.106 0.000 2.879 322 D HA 0.084 4.738 4.640 0.023 0.000 0.346 322 D C -0.088 176.268 176.300 0.094 0.000 1.390 322 D CA -0.304 53.747 54.000 0.084 0.000 0.838 322 D CB 0.076 40.925 40.800 0.082 0.000 1.416 322 D HN 0.587 nan 8.370 nan 0.000 0.493 323 E N -0.038 120.203 120.200 0.068 0.000 2.396 323 E HA -0.136 4.228 4.350 0.023 0.000 0.200 323 E C 1.398 178.052 176.600 0.091 0.000 1.023 323 E CA 1.310 57.749 56.400 0.066 0.000 0.857 323 E CB -0.406 29.318 29.700 0.041 0.000 0.775 323 E HN 0.430 nan 8.360 nan 0.000 0.525 324 R N 0.187 120.761 120.500 0.124 0.000 2.276 324 R HA 0.281 4.635 4.340 0.023 0.000 0.203 324 R C 0.837 177.329 176.300 0.321 0.000 1.017 324 R CA 0.561 56.769 56.100 0.180 0.000 1.010 324 R CB 0.211 30.580 30.300 0.115 0.000 0.900 324 R HN 0.318 nan 8.270 nan 0.000 0.469 325 G N 0.281 109.242 108.800 0.269 0.000 2.270 325 G HA2 -0.006 3.968 3.960 0.023 0.000 0.268 325 G HA3 -0.006 3.968 3.960 0.023 0.000 0.268 325 G C -2.187 172.822 174.900 0.181 0.000 1.312 325 G CA -0.876 44.358 45.100 0.224 0.000 1.050 325 G HN 0.030 nan 8.290 nan 0.000 0.474 326 L N 0.333 121.634 121.223 0.131 0.000 2.404 326 L HA 0.859 5.213 4.340 0.023 0.000 0.272 326 L C -0.850 176.052 176.870 0.053 0.000 0.980 326 L CA -0.841 54.036 54.840 0.061 0.000 0.836 326 L CB 1.632 43.695 42.059 0.006 0.000 1.238 326 L HN 0.568 nan 8.230 nan 0.000 0.408 327 K N 3.738 124.072 120.400 -0.110 0.000 2.375 327 K HA 0.593 4.927 4.320 0.023 0.000 0.249 327 K C -1.451 175.031 176.600 -0.197 0.000 0.942 327 K CA -0.707 55.410 56.287 -0.283 0.000 0.806 327 K CB 2.770 34.735 32.500 -0.890 0.000 1.227 327 K HN 0.383 nan 8.250 nan 0.000 0.430 328 V N 4.136 123.912 119.914 -0.230 0.000 2.398 328 V HA 0.219 4.353 4.120 0.023 0.000 0.286 328 V C -0.012 175.907 176.094 -0.291 0.000 1.026 328 V CA -0.118 61.908 62.300 -0.456 0.000 0.868 328 V CB 0.721 32.246 31.823 -0.496 0.000 0.982 328 V HN 0.656 nan 8.190 nan 0.000 0.443 329 Y N 4.442 124.624 120.300 -0.197 0.000 2.269 329 Y HA 0.237 4.801 4.550 0.024 0.000 0.294 329 Y C 1.178 177.022 175.900 -0.092 0.000 1.120 329 Y CA 0.693 58.724 58.100 -0.115 0.000 1.159 329 Y CB 0.173 38.581 38.460 -0.086 0.000 1.024 329 Y HN 0.825 nan 8.280 nan 0.000 0.532 330 E N -2.781 117.449 120.200 0.050 0.000 2.432 330 E HA 0.253 4.617 4.350 0.023 0.000 0.279 330 E C -2.080 174.516 176.600 -0.007 0.000 1.099 330 E CA -1.054 55.379 56.400 0.055 0.000 0.859 330 E CB 1.172 30.893 29.700 0.035 0.000 1.402 330 E HN -0.135 nan 8.360 nan 0.000 0.451 331 Y N 1.881 122.063 120.300 -0.197 0.000 2.349 331 Y HA 0.415 4.993 4.550 0.047 0.000 0.324 331 Y C -1.289 174.485 175.900 -0.210 0.000 1.005 331 Y CA -1.964 55.923 58.100 -0.356 0.000 1.240 331 Y CB 1.157 39.074 38.460 -0.905 0.000 1.117 331 Y HN 0.577 nan 8.280 nan 0.000 0.463 332 N N 5.304 124.014 118.700 0.017 0.000 2.739 332 N HA 0.199 4.953 4.740 0.023 0.000 0.266 332 N C 0.686 176.060 175.510 -0.228 0.000 1.168 332 N CA 0.455 53.453 53.050 -0.086 0.000 1.055 332 N CB 1.265 39.748 38.487 -0.008 0.000 1.393 332 N HN 0.749 nan 8.380 nan 0.000 0.514 333 A N 0.710 123.247 122.820 -0.471 0.000 2.081 333 A HA -0.071 4.263 4.320 0.023 0.000 0.214 333 A C 1.772 179.214 177.584 -0.237 0.000 1.158 333 A CA 0.586 52.281 52.037 -0.570 0.000 0.724 333 A CB 0.180 18.708 19.000 -0.788 0.000 0.826 333 A HN 0.363 nan 8.150 nan 0.000 0.463 334 D N 0.601 120.922 120.400 -0.132 0.000 2.165 334 D HA -0.020 4.634 4.640 0.023 0.000 0.213 334 D C 0.639 176.942 176.300 0.005 0.000 0.983 334 D CA 1.676 55.660 54.000 -0.027 0.000 0.881 334 D CB 0.033 40.850 40.800 0.029 0.000 1.028 334 D HN 0.328 nan 8.370 nan 0.000 0.457 335 S N -0.100 115.600 115.700 0.000 0.000 2.745 335 S HA 0.805 5.288 4.470 0.023 0.000 0.283 335 S C -0.499 174.141 174.600 0.068 0.000 1.170 335 S CA -0.805 57.411 58.200 0.026 0.000 1.119 335 S CB 1.551 64.721 63.200 -0.051 0.000 1.035 335 S HN 0.357 nan 8.310 nan 0.000 0.483 336 A N 2.806 125.736 122.820 0.184 0.000 2.337 336 A HA 0.963 5.297 4.320 0.023 0.000 0.331 336 A C 0.303 178.066 177.584 0.299 0.000 1.137 336 A CA -0.647 51.520 52.037 0.217 0.000 0.807 336 A CB 1.445 20.621 19.000 0.293 0.000 1.250 336 A HN 1.289 nan 8.150 nan 0.000 0.468 337 S N -1.191 114.591 115.700 0.136 0.000 2.921 337 S HA 0.625 5.109 4.470 0.023 0.000 0.315 337 S C 0.434 175.123 174.600 0.148 0.000 1.087 337 S CA 0.047 58.237 58.200 -0.016 0.000 0.877 337 S CB 0.653 63.605 63.200 -0.414 0.000 1.340 337 S HN 1.807 nan 8.310 nan 0.000 0.622 338 C N 0.337 119.688 119.300 0.085 0.000 5.461 338 C HA -0.137 4.337 4.460 0.023 0.000 0.227 338 C C 1.748 176.774 174.990 0.060 0.000 1.350 338 C CA 0.751 59.842 59.018 0.123 0.000 1.285 338 C CB -3.025 24.798 27.740 0.139 0.000 2.111 338 C HN 0.972 nan 8.230 nan 0.000 0.625 339 H N 0.407 119.431 119.070 -0.076 0.000 2.319 339 H HA -0.153 4.410 4.556 0.012 0.000 0.299 339 H C 1.968 176.789 175.328 -0.844 0.000 1.092 339 H CA 2.079 57.783 56.048 -0.574 0.000 1.302 339 H CB -0.368 29.099 29.762 -0.493 0.000 1.373 339 H HN 0.657 nan 8.280 nan 0.000 0.497 340 T N 1.092 115.248 114.554 -0.663 0.000 2.708 340 T HA -0.132 4.232 4.350 0.023 0.000 0.266 340 T C 1.924 176.460 174.700 -0.272 0.000 1.037 340 T CA 1.556 63.293 62.100 -0.604 0.000 1.146 340 T CB -0.159 68.722 68.868 0.021 0.000 0.865 340 T HN 0.337 nan 8.240 nan 0.000 0.435 341 E N 1.429 121.564 120.200 -0.109 0.000 2.012 341 E HA -0.061 4.303 4.350 0.023 0.000 0.197 341 E C 2.475 179.023 176.600 -0.087 0.000 1.007 341 E CA 1.446 57.788 56.400 -0.097 0.000 0.816 341 E CB -0.633 29.081 29.700 0.023 0.000 0.762 341 E HN 0.473 nan 8.360 nan 0.000 0.451 342 A N 0.166 122.967 122.820 -0.032 0.000 1.902 342 A HA -0.042 4.292 4.320 0.023 0.000 0.217 342 A C 2.328 179.905 177.584 -0.011 0.000 1.181 342 A CA 1.776 53.823 52.037 0.017 0.000 0.623 342 A CB -0.942 18.177 19.000 0.198 0.000 0.818 342 A HN 0.343 nan 8.150 nan 0.000 0.443 343 G N -2.039 106.712 108.800 -0.083 0.000 3.042 343 G HA2 0.312 4.286 3.960 0.023 0.000 0.212 343 G HA3 0.312 4.286 3.960 0.023 0.000 0.212 343 G C 1.034 175.987 174.900 0.089 0.000 1.166 343 G CA 1.018 46.126 45.100 0.013 0.000 0.767 343 G HN 0.484 nan 8.290 nan 0.000 0.546 344 L N -0.853 120.385 121.223 0.024 0.000 2.658 344 L HA 0.419 4.773 4.340 0.023 0.000 0.201 344 L C 2.032 178.905 176.870 0.005 0.000 1.050 344 L CA 0.384 55.264 54.840 0.065 0.000 0.893 344 L CB -0.224 41.905 42.059 0.117 0.000 1.503 344 L HN -0.066 nan 8.230 nan 0.000 0.485 345 I N 0.755 121.257 120.570 -0.113 0.000 2.226 345 I HA -0.217 3.967 4.170 0.023 0.000 0.245 345 I C 2.511 178.685 176.117 0.094 0.000 1.100 345 I CA 1.594 62.806 61.300 -0.146 0.000 1.374 345 I CB -1.337 36.384 38.000 -0.464 0.000 1.057 345 I HN 0.291 nan 8.210 nan 0.000 0.413 346 L N 0.122 121.376 121.223 0.053 0.000 2.291 346 L HA -0.125 4.229 4.340 0.023 0.000 0.214 346 L C 2.567 179.585 176.870 0.246 0.000 1.120 346 L CA 0.783 55.694 54.840 0.117 0.000 0.799 346 L CB -0.392 41.657 42.059 -0.018 0.000 0.925 346 L HN 0.209 nan 8.230 nan 0.000 0.446 347 E N -0.001 120.307 120.200 0.180 0.000 2.072 347 E HA -0.165 4.199 4.350 0.023 0.000 0.191 347 E C 2.250 178.983 176.600 0.221 0.000 0.985 347 E CA 0.679 57.189 56.400 0.184 0.000 0.801 347 E CB -0.080 29.701 29.700 0.134 0.000 0.750 347 E HN 0.185 nan 8.360 nan 0.000 0.452 348 R N -0.154 120.497 120.500 0.252 0.000 2.092 348 R HA -0.136 4.218 4.340 0.023 0.000 0.231 348 R C 2.046 178.619 176.300 0.455 0.000 1.119 348 R CA 1.065 57.352 56.100 0.312 0.000 0.970 348 R CB -0.880 29.591 30.300 0.285 0.000 0.864 348 R HN 0.269 nan 8.270 nan 0.000 0.440 349 W N 1.046 122.538 121.300 0.321 0.000 2.333 349 W HA -0.213 4.462 4.660 0.025 0.000 0.316 349 W C 2.077 178.681 176.519 0.142 0.000 1.215 349 W CA 2.595 60.023 57.345 0.138 0.000 1.278 349 W CB -0.532 28.860 29.460 -0.113 0.000 1.154 349 W HN 0.146 nan 8.180 nan 0.000 0.486 350 A N 0.132 123.107 122.820 0.258 0.000 1.902 350 A HA -0.287 4.047 4.320 0.023 0.000 0.217 350 A C 2.040 179.602 177.584 -0.036 0.000 1.181 350 A CA 2.001 54.055 52.037 0.028 0.000 0.623 350 A CB -1.217 17.925 19.000 0.237 0.000 0.818 350 A HN 0.565 nan 8.150 nan 0.000 0.443 351 E N -0.926 119.302 120.200 0.046 0.000 2.153 351 E HA -0.277 4.087 4.350 0.023 0.000 0.194 351 E C 2.089 178.652 176.600 -0.062 0.000 0.988 351 E CA 1.553 57.964 56.400 0.019 0.000 0.811 351 E CB -0.057 29.684 29.700 0.069 0.000 0.746 351 E HN 0.658 nan 8.360 nan 0.000 0.466 352 Q N -0.822 118.922 119.800 -0.093 0.000 2.204 352 Q HA 0.038 4.392 4.340 0.023 0.000 0.198 352 Q C 1.558 177.247 176.000 -0.518 0.000 0.946 352 Q CA 1.582 57.249 55.803 -0.227 0.000 0.859 352 Q CB 0.332 29.017 28.738 -0.089 0.000 0.946 352 Q HN 0.252 nan 8.270 nan 0.000 0.474 353 G N -1.810 106.620 108.800 -0.617 0.000 3.146 353 G HA2 0.029 4.003 3.960 0.023 0.000 0.238 353 G HA3 0.029 4.003 3.960 0.023 0.000 0.238 353 G C -0.796 173.818 174.900 -0.477 0.000 1.022 353 G CA -0.286 44.407 45.100 -0.679 0.000 0.880 353 G HN 0.265 nan 8.290 nan 0.000 0.533 354 Y N 2.252 122.185 120.300 -0.611 0.000 2.341 354 Y HA 0.469 5.034 4.550 0.026 0.000 0.340 354 Y C 0.464 176.218 175.900 -0.243 0.000 0.997 354 Y CA -0.947 56.875 58.100 -0.463 0.000 1.149 354 Y CB 1.356 39.517 38.460 -0.497 0.000 1.171 354 Y HN 0.026 nan 8.280 nan 0.000 0.494 355 K N 3.339 123.247 120.400 -0.820 0.000 2.564 355 K HA 0.401 4.735 4.320 0.023 0.000 0.205 355 K C 0.251 176.423 176.600 -0.714 0.000 1.053 355 K CA -0.065 55.867 56.287 -0.591 0.000 1.072 355 K CB 0.227 32.531 32.500 -0.326 0.000 0.822 355 K HN 0.600 nan 8.250 nan 0.000 0.497 356 G N 0.701 108.613 108.800 -1.480 0.000 2.509 356 G HA2 0.126 4.099 3.960 0.023 0.000 0.269 356 G HA3 0.126 4.099 3.960 0.023 0.000 0.269 356 G C -0.045 174.749 174.900 -0.176 0.000 1.416 356 G CA -0.775 43.900 45.100 -0.708 0.000 1.052 356 G HN 0.288 nan 8.290 nan 0.000 0.542 357 N N -0.999 117.783 118.700 0.136 0.000 2.254 357 N HA 0.204 4.958 4.740 0.023 0.000 0.190 357 N C 1.177 176.884 175.510 0.330 0.000 1.107 357 N CA 0.143 53.309 53.050 0.193 0.000 0.869 357 N CB 0.794 39.362 38.487 0.136 0.000 0.983 357 N HN 0.520 nan 8.380 nan 0.000 0.487 358 G N 0.455 109.526 108.800 0.452 0.000 2.611 358 G HA2 0.420 4.394 3.960 0.023 0.000 0.273 358 G HA3 0.420 4.394 3.960 0.023 0.000 0.273 358 G C -0.517 174.599 174.900 0.359 0.000 1.305 358 G CA -0.295 44.995 45.100 0.317 0.000 1.010 358 G HN 0.213 nan 8.290 nan 0.000 0.509 359 F N -2.502 117.496 119.950 0.080 0.000 2.626 359 F HA 0.570 5.106 4.527 0.015 0.000 0.311 359 F C -0.738 175.079 175.800 0.027 0.000 1.088 359 F CA -1.991 56.049 58.000 0.066 0.000 0.949 359 F CB 1.415 40.466 39.000 0.085 0.000 1.322 359 F HN 0.379 nan 8.300 nan 0.000 0.461 360 N N 3.666 122.464 118.700 0.162 0.000 2.401 360 N HA 0.297 5.051 4.740 0.023 0.000 0.255 360 N C -1.702 173.936 175.510 0.213 0.000 1.110 360 N CA -2.660 50.437 53.050 0.078 0.000 0.949 360 N CB 0.885 39.447 38.487 0.124 0.000 1.110 360 N HN 0.462 nan 8.380 nan 0.000 0.490 361 P HA -0.070 nan 4.420 nan 0.000 0.231 361 P C 0.121 177.570 177.300 0.249 0.000 1.158 361 P CA 0.730 63.988 63.100 0.263 0.000 0.763 361 P CB 0.227 32.002 31.700 0.124 0.000 0.805 362 A N 0.113 123.036 122.820 0.172 0.000 2.465 362 A HA 0.079 4.413 4.320 0.023 0.000 0.255 362 A C 1.960 179.609 177.584 0.108 0.000 1.274 362 A CA -0.207 51.908 52.037 0.129 0.000 0.920 362 A CB -0.608 18.471 19.000 0.131 0.000 1.033 362 A HN 0.236 nan 8.150 nan 0.000 0.516 363 E N -0.358 119.932 120.200 0.150 0.000 2.209 363 E HA -0.145 4.219 4.350 0.023 0.000 0.196 363 E C 1.328 177.985 176.600 0.095 0.000 0.993 363 E CA 1.283 57.761 56.400 0.130 0.000 0.819 363 E CB -0.335 29.460 29.700 0.158 0.000 0.745 363 E HN 0.374 nan 8.360 nan 0.000 0.477 364 G N 0.896 109.745 108.800 0.082 0.000 3.284 364 G HA2 0.127 4.100 3.960 0.023 0.000 0.236 364 G HA3 0.127 4.100 3.960 0.023 0.000 0.236 364 G C 1.226 176.149 174.900 0.039 0.000 1.158 364 G CA -0.419 44.713 45.100 0.053 0.000 0.774 364 G HN 0.116 nan 8.290 nan 0.000 0.545 365 L N 0.366 121.615 121.223 0.043 0.000 1.997 365 L HA -0.182 4.172 4.340 0.023 0.000 0.216 365 L C 2.683 179.587 176.870 0.057 0.000 1.074 365 L CA 1.811 56.670 54.840 0.032 0.000 0.763 365 L CB -0.153 41.911 42.059 0.009 0.000 0.890 365 L HN 0.407 nan 8.230 nan 0.000 0.434 366 I N -0.320 120.291 120.570 0.069 0.000 2.208 366 I HA -0.352 3.832 4.170 0.023 0.000 0.245 366 I C 2.143 178.206 176.117 -0.090 0.000 1.097 366 I CA 1.731 62.962 61.300 -0.115 0.000 1.363 366 I CB -0.233 37.651 38.000 -0.194 0.000 1.051 366 I HN 0.410 nan 8.210 nan 0.000 0.413 367 N N 0.923 119.602 118.700 -0.035 0.000 2.142 367 N HA -0.222 4.532 4.740 0.023 0.000 0.186 367 N C 1.797 177.304 175.510 -0.004 0.000 1.023 367 N CA 1.361 54.399 53.050 -0.019 0.000 0.852 367 N CB -0.422 38.063 38.487 -0.003 0.000 0.998 367 N HN 0.421 nan 8.380 nan 0.000 0.424 368 E N 0.687 120.885 120.200 -0.003 0.000 2.058 368 E HA -0.078 4.286 4.350 0.023 0.000 0.194 368 E C 1.792 178.380 176.600 -0.021 0.000 0.997 368 E CA 0.584 56.982 56.400 -0.004 0.000 0.801 368 E CB -0.314 29.381 29.700 -0.008 0.000 0.746 368 E HN 0.072 nan 8.360 nan 0.000 0.450 369 L N 0.160 121.358 121.223 -0.041 0.000 2.046 369 L HA -0.091 4.263 4.340 0.023 0.000 0.208 369 L C 2.216 179.085 176.870 -0.001 0.000 1.077 369 L CA 2.054 56.846 54.840 -0.079 0.000 0.747 369 L CB -1.305 40.692 42.059 -0.103 0.000 0.896 369 L HN 0.195 nan 8.230 nan 0.000 0.432 370 A N -0.892 121.938 122.820 0.017 0.000 1.972 370 A HA -0.100 4.234 4.320 0.023 0.000 0.219 370 A C 2.378 180.032 177.584 0.115 0.000 1.169 370 A CA 1.612 53.692 52.037 0.072 0.000 0.635 370 A CB -1.190 17.812 19.000 0.003 0.000 0.810 370 A HN 0.462 nan 8.150 nan 0.000 0.446 371 G N -0.702 108.153 108.800 0.091 0.000 2.403 371 G HA2 0.081 4.055 3.960 0.023 0.000 0.216 371 G HA3 0.081 4.055 3.960 0.023 0.000 0.216 371 G C 1.720 176.747 174.900 0.213 0.000 1.154 371 G CA 1.214 46.411 45.100 0.162 0.000 0.784 371 G HN 0.742 nan 8.290 nan 0.000 0.538 372 A N 0.219 123.079 122.820 0.067 0.000 1.902 372 A HA -0.031 4.303 4.320 0.023 0.000 0.217 372 A C 2.200 179.764 177.584 -0.034 0.000 1.181 372 A CA 1.328 53.355 52.037 -0.017 0.000 0.623 372 A CB -0.722 18.155 19.000 -0.204 0.000 0.818 372 A HN 0.535 nan 8.150 nan 0.000 0.443 373 W N 0.003 121.244 121.300 -0.098 0.000 2.358 373 W HA -0.110 4.579 4.660 0.048 0.000 0.303 373 W C 2.385 178.893 176.519 -0.018 0.000 1.208 373 W CA 1.182 58.388 57.345 -0.232 0.000 1.274 373 W CB 0.147 29.377 29.460 -0.383 0.000 1.138 373 W HN 0.160 nan 8.180 nan 0.000 0.515 374 K N 0.297 120.870 120.400 0.288 0.000 2.147 374 K HA -0.182 4.152 4.320 0.023 0.000 0.205 374 K C 0.767 177.305 176.600 -0.104 0.000 1.049 374 K CA 1.632 57.984 56.287 0.109 0.000 0.936 374 K CB -0.428 32.019 32.500 -0.088 0.000 0.722 374 K HN 0.320 nan 8.250 nan 0.000 0.446 375 H N -0.360 118.791 119.070 0.134 0.000 2.586 375 H HA 0.114 4.684 4.556 0.024 0.000 0.273 375 H C 0.722 176.096 175.328 0.077 0.000 0.997 375 H CA 0.110 56.194 56.048 0.061 0.000 1.177 375 H CB 0.517 30.297 29.762 0.030 0.000 1.471 375 H HN 0.180 nan 8.280 nan 0.000 0.538 376 S N 0.185 116.000 115.700 0.191 0.000 2.652 376 S HA 0.238 4.721 4.470 0.023 0.000 0.267 376 S C 0.872 175.575 174.600 0.171 0.000 1.201 376 S CA -0.811 57.496 58.200 0.179 0.000 0.996 376 S CB 1.330 64.590 63.200 0.100 0.000 1.054 376 S HN 0.329 nan 8.310 nan 0.000 0.561 377 R N 0.287 120.854 120.500 0.113 0.000 2.696 377 R HA 0.366 4.719 4.340 0.023 0.000 0.355 377 R C 0.179 176.627 176.300 0.246 0.000 1.138 377 R CA -0.191 55.985 56.100 0.127 0.000 1.059 377 R CB 0.201 30.512 30.300 0.018 0.000 1.380 377 R HN 0.744 nan 8.270 nan 0.000 0.578 378 A N 1.422 124.431 122.820 0.316 0.000 2.466 378 A HA 0.185 4.519 4.320 0.023 0.000 0.238 378 A C 0.386 178.188 177.584 0.364 0.000 1.074 378 A CA -0.128 52.098 52.037 0.315 0.000 0.774 378 A CB 0.335 19.195 19.000 -0.235 0.000 1.015 378 A HN 0.269 nan 8.150 nan 0.000 0.498 379 R N 1.663 122.357 120.500 0.324 0.000 2.738 379 R HA 0.242 4.596 4.340 0.023 0.000 0.268 379 R C -1.317 175.198 176.300 0.358 0.000 1.062 379 R CA -0.928 55.347 56.100 0.293 0.000 1.158 379 R CB 0.134 30.586 30.300 0.254 0.000 1.046 379 R HN 0.549 nan 8.270 nan 0.000 0.493 380 P HA -0.220 nan 4.420 nan 0.000 0.216 380 P C -0.071 177.373 177.300 0.240 0.000 1.150 380 P CA 1.475 64.677 63.100 0.169 0.000 0.843 380 P CB 0.054 31.804 31.700 0.083 0.000 0.787 381 F N 0.500 120.521 119.950 0.119 0.000 2.426 381 F HA 0.383 4.925 4.527 0.025 0.000 0.348 381 F C -0.573 175.263 175.800 0.060 0.000 1.124 381 F CA -1.017 57.020 58.000 0.062 0.000 1.008 381 F CB 1.205 40.219 39.000 0.023 0.000 1.139 381 F HN -0.416 nan 8.300 nan 0.000 0.452 382 V N 5.661 125.417 119.914 -0.263 0.000 2.398 382 V HA 0.250 4.384 4.120 0.023 0.000 0.286 382 V C -0.656 175.353 176.094 -0.141 0.000 1.026 382 V CA -0.727 61.497 62.300 -0.126 0.000 0.868 382 V CB 1.168 32.760 31.823 -0.384 0.000 0.982 382 V HN 0.635 nan 8.190 nan 0.000 0.443 383 H N 4.023 123.177 119.070 0.139 0.000 2.527 383 H HA 0.535 5.105 4.556 0.022 0.000 0.321 383 H C -0.164 175.219 175.328 0.091 0.000 1.087 383 H CA -0.181 55.960 56.048 0.154 0.000 1.337 383 H CB 1.050 30.926 29.762 0.190 0.000 1.440 383 H HN 0.528 nan 8.280 nan 0.000 0.490 384 I N 4.357 125.021 120.570 0.156 0.000 2.315 384 I HA 0.176 4.360 4.170 0.023 0.000 0.291 384 I C -0.163 176.027 176.117 0.122 0.000 1.006 384 I CA -0.094 61.307 61.300 0.167 0.000 1.265 384 I CB 0.641 38.731 38.000 0.150 0.000 1.387 384 I HN 0.450 nan 8.210 nan 0.000 0.475 385 M N 7.479 127.119 119.600 0.067 0.000 2.101 385 M HA 0.339 4.833 4.480 0.023 0.000 0.340 385 M C -0.507 175.787 176.300 -0.010 0.000 1.057 385 M CA -0.483 54.882 55.300 0.108 0.000 0.984 385 M CB 1.345 34.048 32.600 0.173 0.000 1.560 385 M HN 0.556 nan 8.290 nan 0.000 0.435 386 Q N 0.868 120.633 119.800 -0.058 0.000 2.458 386 Q HA 0.575 4.929 4.340 0.023 0.000 0.282 386 Q C -1.330 174.400 176.000 -0.449 0.000 1.106 386 Q CA -1.109 54.482 55.803 -0.354 0.000 0.814 386 Q CB 2.138 30.744 28.738 -0.220 0.000 1.425 386 Q HN 0.425 nan 8.270 nan 0.000 0.437 387 D N 0.502 120.386 120.400 -0.861 0.000 2.383 387 D HA 0.135 4.789 4.640 0.023 0.000 0.248 387 D C -0.727 175.381 176.300 -0.320 0.000 1.170 387 D CA -0.384 53.141 54.000 -0.792 0.000 0.977 387 D CB 1.027 41.193 40.800 -1.055 0.000 1.120 387 D HN 0.448 nan 8.370 nan 0.000 0.481 388 K N 2.206 122.506 120.400 -0.167 0.000 2.127 388 K HA 0.214 4.548 4.320 0.023 0.000 0.261 388 K C -0.766 175.769 176.600 -0.109 0.000 1.129 388 K CA -0.150 56.080 56.287 -0.095 0.000 0.993 388 K CB 0.337 32.817 32.500 -0.032 0.000 1.410 388 K HN 0.273 nan 8.250 nan 0.000 0.380 389 D N 2.929 123.250 120.400 -0.132 0.000 2.936 389 D HA 0.055 4.709 4.640 0.023 0.000 0.238 389 D C 1.355 177.595 176.300 -0.100 0.000 1.248 389 D CA -0.448 53.481 54.000 -0.119 0.000 0.903 389 D CB 1.606 42.308 40.800 -0.163 0.000 1.544 389 D HN 0.229 nan 8.370 nan 0.000 0.543 390 I N 0.574 121.107 120.570 -0.062 0.000 2.493 390 I HA -0.183 4.001 4.170 0.023 0.000 0.254 390 I C 1.695 177.794 176.117 -0.030 0.000 1.160 390 I CA 1.360 62.642 61.300 -0.029 0.000 1.445 390 I CB -1.008 36.988 38.000 -0.006 0.000 1.086 390 I HN 0.436 nan 8.210 nan 0.000 0.433 391 E N 1.923 122.079 120.200 -0.074 0.000 2.204 391 E HA -0.219 4.145 4.350 0.023 0.000 0.194 391 E C 1.500 177.827 176.600 -0.454 0.000 0.989 391 E CA 1.256 57.567 56.400 -0.148 0.000 0.824 391 E CB -0.481 29.159 29.700 -0.101 0.000 0.756 391 E HN 0.678 nan 8.360 nan 0.000 0.477 392 E N 0.490 120.518 120.200 -0.288 0.000 2.435 392 E HA -0.020 4.344 4.350 0.023 0.000 0.195 392 E C 1.431 177.922 176.600 -0.182 0.000 1.029 392 E CA 0.061 56.301 56.400 -0.266 0.000 0.865 392 E CB 0.086 29.643 29.700 -0.238 0.000 0.833 392 E HN 0.222 nan 8.360 nan 0.000 0.510 393 N N 0.821 119.444 118.700 -0.128 0.000 2.084 393 N HA -0.201 4.553 4.740 0.023 0.000 0.190 393 N C 1.733 177.286 175.510 0.072 0.000 1.030 393 N CA 1.380 54.423 53.050 -0.011 0.000 0.849 393 N CB -0.454 38.058 38.487 0.042 0.000 1.012 393 N HN 0.425 nan 8.380 nan 0.000 0.423 394 Y N -1.260 119.098 120.300 0.098 0.000 2.439 394 Y HA 0.068 4.630 4.550 0.021 0.000 0.292 394 Y C 2.375 178.403 175.900 0.215 0.000 1.130 394 Y CA 1.058 59.246 58.100 0.147 0.000 1.254 394 Y CB -0.876 37.689 38.460 0.174 0.000 1.000 394 Y HN 0.151 nan 8.280 nan 0.000 0.554 395 H N 0.909 119.904 119.070 -0.124 0.000 2.363 395 H HA 0.104 4.671 4.556 0.018 0.000 0.301 395 H C 2.241 177.689 175.328 0.200 0.000 1.074 395 H CA 1.375 57.446 56.048 0.038 0.000 1.354 395 H CB -0.390 29.305 29.762 -0.110 0.000 1.397 395 H HN 0.358 nan 8.280 nan 0.000 0.516 396 A N 0.436 123.300 122.820 0.074 0.000 1.902 396 A HA -0.198 4.136 4.320 0.023 0.000 0.217 396 A C 2.254 179.852 177.584 0.022 0.000 1.181 396 A CA 1.780 53.887 52.037 0.116 0.000 0.623 396 A CB -0.482 18.562 19.000 0.073 0.000 0.818 396 A HN 0.645 nan 8.150 nan 0.000 0.443 397 Q N -2.091 117.735 119.800 0.043 0.000 2.172 397 Q HA -0.070 4.284 4.340 0.023 0.000 0.200 397 Q C 1.839 177.827 176.000 -0.020 0.000 0.964 397 Q CA 1.231 57.035 55.803 0.000 0.000 0.855 397 Q CB -0.225 28.551 28.738 0.063 0.000 0.918 397 Q HN 0.762 nan 8.270 nan 0.000 0.444 398 F N 0.965 120.869 119.950 -0.077 0.000 2.113 398 F HA -0.220 4.316 4.527 0.015 0.000 0.297 398 F C 2.176 177.826 175.800 -0.249 0.000 1.103 398 F CA 1.298 59.239 58.000 -0.097 0.000 1.248 398 F CB -0.035 38.969 39.000 0.006 0.000 0.999 398 F HN 0.026 nan 8.300 nan 0.000 0.475 399 M N 0.814 120.231 119.600 -0.305 0.000 2.175 399 M HA -0.155 4.339 4.480 0.023 0.000 0.264 399 M C 2.157 178.074 176.300 -0.638 0.000 1.063 399 M CA 1.647 56.569 55.300 -0.631 0.000 1.119 399 M CB -0.803 31.081 32.600 -1.194 0.000 1.377 399 M HN 0.360 nan 8.290 nan 0.000 0.415 400 E N -0.911 118.978 120.200 -0.518 0.000 2.110 400 E HA -0.243 4.121 4.350 0.023 0.000 0.193 400 E C 1.930 178.086 176.600 -0.739 0.000 0.988 400 E CA 1.057 57.075 56.400 -0.636 0.000 0.804 400 E CB 0.053 29.439 29.700 -0.524 0.000 0.745 400 E HN 0.482 nan 8.360 nan 0.000 0.458 401 Q N -0.121 119.357 119.800 -0.537 0.000 2.084 401 Q HA -0.134 4.220 4.340 0.023 0.000 0.202 401 Q C 2.034 177.808 176.000 -0.376 0.000 0.978 401 Q CA 1.465 57.023 55.803 -0.409 0.000 0.844 401 Q CB -0.378 28.146 28.738 -0.356 0.000 0.898 401 Q HN 0.355 nan 8.270 nan 0.000 0.426 402 A N 0.405 122.941 122.820 -0.472 0.000 1.898 402 A HA -0.115 4.219 4.320 0.023 0.000 0.216 402 A C 2.278 179.690 177.584 -0.287 0.000 1.181 402 A CA 0.940 52.777 52.037 -0.334 0.000 0.620 402 A CB -0.694 18.121 19.000 -0.308 0.000 0.819 402 A HN 0.325 nan 8.150 nan 0.000 0.442 403 L N -1.377 119.533 121.223 -0.522 0.000 2.017 403 L HA -0.242 4.112 4.340 0.023 0.000 0.208 403 L C 2.596 179.377 176.870 -0.148 0.000 1.073 403 L CA 1.787 56.275 54.840 -0.586 0.000 0.745 403 L CB -0.659 40.872 42.059 -0.881 0.000 0.894 403 L HN 0.564 nan 8.230 nan 0.000 0.432 404 H N -1.345 117.578 119.070 -0.246 0.000 2.321 404 H HA -0.245 4.325 4.556 0.024 0.000 0.300 404 H C 2.282 177.529 175.328 -0.135 0.000 1.087 404 H CA 1.292 57.234 56.048 -0.178 0.000 1.319 404 H CB 0.129 29.785 29.762 -0.176 0.000 1.379 404 H HN 0.372 nan 8.280 nan 0.000 0.501 405 Q N 0.872 120.672 119.800 -0.000 0.000 2.181 405 Q HA -0.133 4.221 4.340 0.023 0.000 0.205 405 Q C 2.000 177.989 176.000 -0.017 0.000 0.980 405 Q CA 1.190 56.975 55.803 -0.030 0.000 0.862 405 Q CB 0.002 28.705 28.738 -0.059 0.000 0.905 405 Q HN 0.449 nan 8.270 nan 0.000 0.429 406 A N -0.713 122.121 122.820 0.023 0.000 2.251 406 A HA 0.330 4.664 4.320 0.023 0.000 0.209 406 A C 1.368 178.911 177.584 -0.067 0.000 1.187 406 A CA 0.725 52.804 52.037 0.072 0.000 0.823 406 A CB -0.197 18.964 19.000 0.269 0.000 0.846 406 A HN 0.631 nan 8.150 nan 0.000 0.486 407 G N -2.020 106.708 108.800 -0.120 0.000 2.157 407 G HA2 -0.222 3.752 3.960 0.023 0.000 0.239 407 G HA3 -0.222 3.752 3.960 0.023 0.000 0.239 407 G C -0.084 174.551 174.900 -0.443 0.000 0.982 407 G CA 0.035 44.965 45.100 -0.284 0.000 0.650 407 G HN 0.301 nan 8.290 nan 0.000 0.527 408 F N 1.171 121.009 119.950 -0.186 0.000 2.377 408 F HA 0.626 5.168 4.527 0.026 0.000 0.328 408 F C 0.950 176.608 175.800 -0.237 0.000 1.094 408 F CA -0.596 57.262 58.000 -0.237 0.000 1.093 408 F CB 0.921 39.698 39.000 -0.372 0.000 1.214 408 F HN 0.053 nan 8.300 nan 0.000 0.518 409 E N 0.217 120.319 120.200 -0.164 0.000 2.222 409 E HA 0.577 4.941 4.350 0.023 0.000 0.272 409 E C -0.618 175.517 176.600 -0.775 0.000 0.982 409 E CA -0.669 55.519 56.400 -0.353 0.000 0.842 409 E CB 1.887 31.434 29.700 -0.256 0.000 1.144 409 E HN 0.685 nan 8.360 nan 0.000 0.397 410 T N -0.410 113.691 114.554 -0.755 0.000 2.816 410 T HA 0.590 4.954 4.350 0.023 0.000 0.299 410 T C -0.837 173.551 174.700 -0.521 0.000 1.230 410 T CA -1.118 60.488 62.100 -0.824 0.000 1.007 410 T CB 1.915 70.531 68.868 -0.420 0.000 1.289 410 T HN 0.377 nan 8.240 nan 0.000 0.508 411 R N 0.919 121.232 120.500 -0.311 0.000 2.535 411 R HA 0.506 4.860 4.340 0.023 0.000 0.274 411 R C -1.558 174.749 176.300 0.011 0.000 1.090 411 R CA -0.718 55.365 56.100 -0.027 0.000 0.930 411 R CB 1.570 31.956 30.300 0.142 0.000 1.223 411 R HN 0.798 nan 8.270 nan 0.000 0.441 412 I N 5.679 126.268 120.570 0.032 0.000 2.342 412 I HA 0.268 4.452 4.170 0.023 0.000 0.291 412 I C -0.010 176.157 176.117 0.083 0.000 1.010 412 I CA -0.578 60.752 61.300 0.050 0.000 1.308 412 I CB 1.216 39.228 38.000 0.019 0.000 1.400 412 I HN 0.335 nan 8.210 nan 0.000 0.488 413 L N 7.372 128.658 121.223 0.105 0.000 2.280 413 L HA 0.492 4.846 4.340 0.023 0.000 0.287 413 L C -0.101 176.816 176.870 0.079 0.000 1.023 413 L CA -0.665 54.236 54.840 0.102 0.000 0.819 413 L CB 0.759 42.893 42.059 0.124 0.000 1.212 413 L HN 0.527 nan 8.230 nan 0.000 0.420 414 R N 3.204 123.737 120.500 0.055 0.000 2.215 414 R HA 0.601 4.955 4.340 0.023 0.000 0.336 414 R C 0.418 176.760 176.300 0.070 0.000 0.996 414 R CA -0.223 55.898 56.100 0.034 0.000 0.847 414 R CB 1.532 31.836 30.300 0.006 0.000 1.127 414 R HN 0.888 nan 8.270 nan 0.000 0.465 415 G N 1.595 110.482 108.800 0.145 0.000 2.741 415 G HA2 -0.273 3.700 3.960 0.023 0.000 0.222 415 G HA3 -0.273 3.700 3.960 0.023 0.000 0.222 415 G C 0.172 175.169 174.900 0.162 0.000 1.364 415 G CA -0.660 44.569 45.100 0.215 0.000 0.866 415 G HN 0.536 nan 8.290 nan 0.000 0.555 416 L N 0.052 121.316 121.223 0.068 0.000 2.766 416 L HA 0.227 4.581 4.340 0.023 0.000 0.242 416 L C 1.828 178.652 176.870 -0.077 0.000 1.136 416 L CA 0.156 54.969 54.840 -0.045 0.000 0.933 416 L CB 0.134 42.112 42.059 -0.135 0.000 1.241 416 L HN 0.489 nan 8.230 nan 0.000 0.522 417 D N 1.181 121.559 120.400 -0.038 0.000 2.149 417 D HA -0.263 4.391 4.640 0.023 0.000 0.198 417 D C 1.897 178.162 176.300 -0.058 0.000 0.990 417 D CA 1.415 55.388 54.000 -0.046 0.000 0.839 417 D CB 0.173 40.962 40.800 -0.017 0.000 0.948 417 D HN 0.483 nan 8.370 nan 0.000 0.460 418 E N -0.200 119.973 120.200 -0.045 0.000 2.347 418 E HA -0.111 4.253 4.350 0.023 0.000 0.196 418 E C 0.204 176.748 176.600 -0.093 0.000 1.008 418 E CA 0.072 56.445 56.400 -0.046 0.000 0.852 418 E CB 0.178 29.872 29.700 -0.010 0.000 0.783 418 E HN 0.001 nan 8.360 nan 0.000 0.505 419 L N 0.999 122.132 121.223 -0.151 0.000 2.395 419 L HA 0.523 4.877 4.340 0.023 0.000 0.269 419 L C 0.738 177.403 176.870 -0.341 0.000 1.133 419 L CA 0.550 55.237 54.840 -0.254 0.000 0.812 419 L CB 1.039 42.905 42.059 -0.322 0.000 1.125 419 L HN 0.214 nan 8.230 nan 0.000 0.452 420 G N 1.704 110.258 108.800 -0.410 0.000 2.608 420 G HA2 0.454 4.428 3.960 0.023 0.000 0.291 420 G HA3 0.454 4.428 3.960 0.023 0.000 0.291 420 G C -2.049 172.613 174.900 -0.396 0.000 1.425 420 G CA -0.575 44.273 45.100 -0.420 0.000 0.787 420 G HN 0.363 nan 8.290 nan 0.000 0.484 421 W N 0.768 122.062 121.300 -0.010 0.000 2.639 421 W HA 0.405 5.079 4.660 0.023 0.000 0.347 421 W C -0.119 176.398 176.519 -0.004 0.000 1.067 421 W CA -0.309 57.031 57.345 -0.008 0.000 1.218 421 W CB 1.961 31.422 29.460 0.002 0.000 1.393 421 W HN 0.789 nan 8.180 nan 0.000 0.557 422 D N -0.065 120.477 120.400 0.237 0.000 2.440 422 D HA 0.325 4.979 4.640 0.023 0.000 0.269 422 D C 1.235 177.608 176.300 0.120 0.000 1.249 422 D CA -0.215 53.865 54.000 0.132 0.000 1.055 422 D CB -0.191 40.659 40.800 0.084 0.000 1.104 422 D HN 0.262 nan 8.370 nan 0.000 0.561 423 A N -0.049 122.813 122.820 0.070 0.000 1.873 423 A HA -0.076 4.258 4.320 0.023 0.000 0.218 423 A C 2.246 179.845 177.584 0.026 0.000 1.193 423 A CA 3.278 55.341 52.037 0.044 0.000 0.629 423 A CB -1.569 17.448 19.000 0.029 0.000 0.826 423 A HN 0.741 nan 8.150 nan 0.000 0.447 424 A N -2.462 120.373 122.820 0.026 0.000 1.969 424 A HA 0.351 4.685 4.320 0.023 0.000 0.218 424 A C 1.872 179.449 177.584 -0.012 0.000 1.169 424 A CA 1.892 53.933 52.037 0.006 0.000 0.635 424 A CB -0.674 18.335 19.000 0.015 0.000 0.810 424 A HN 2.022 nan 8.150 nan 0.000 0.445 425 G N -1.650 107.166 108.800 0.027 0.000 2.161 425 G HA2 -0.077 3.897 3.960 0.023 0.000 0.140 425 G HA3 -0.077 3.897 3.960 0.023 0.000 0.140 425 G C -0.182 174.813 174.900 0.160 0.000 1.040 425 G CA -0.076 45.016 45.100 -0.013 0.000 0.735 425 G HN 0.507 nan 8.290 nan 0.000 0.496 426 Q N -0.229 119.685 119.800 0.190 0.000 2.354 426 Q HA 0.592 4.946 4.340 0.023 0.000 0.244 426 Q C 0.101 176.263 176.000 0.271 0.000 0.969 426 Q CA -0.181 55.737 55.803 0.191 0.000 0.885 426 Q CB 1.748 30.547 28.738 0.101 0.000 1.241 426 Q HN 0.340 nan 8.270 nan 0.000 0.461 427 L N 3.326 124.644 121.223 0.157 0.000 2.276 427 L HA 0.450 4.804 4.340 0.023 0.000 0.286 427 L C -0.202 176.612 176.870 -0.094 0.000 1.061 427 L CA -0.287 54.536 54.840 -0.027 0.000 0.807 427 L CB 0.486 42.506 42.059 -0.065 0.000 1.177 427 L HN 0.521 nan 8.230 nan 0.000 0.429 428 I N -0.696 119.781 120.570 -0.154 0.000 2.934 428 I HA 0.590 4.774 4.170 0.023 0.000 0.306 428 I C -0.949 175.065 176.117 -0.171 0.000 1.110 428 I CA -1.015 60.205 61.300 -0.133 0.000 1.019 428 I CB 2.059 40.018 38.000 -0.068 0.000 1.227 428 I HN 0.416 nan 8.210 nan 0.000 0.434 429 D N 3.047 123.368 120.400 -0.133 0.000 2.507 429 D HA 0.342 4.996 4.640 0.023 0.000 0.280 429 D C 1.298 177.573 176.300 -0.040 0.000 1.219 429 D CA -0.034 53.916 54.000 -0.083 0.000 1.085 429 D CB 0.136 40.960 40.800 0.040 0.000 1.134 429 D HN 0.694 nan 8.370 nan 0.000 0.583 430 G N -0.650 108.148 108.800 -0.004 0.000 2.545 430 G HA2 -0.291 3.683 3.960 0.023 0.000 0.217 430 G HA3 -0.291 3.683 3.960 0.023 0.000 0.217 430 G C 0.970 175.868 174.900 -0.003 0.000 1.218 430 G CA 0.628 45.726 45.100 -0.004 0.000 0.787 430 G HN 0.632 nan 8.290 nan 0.000 0.571 431 E N 0.772 120.976 120.200 0.008 0.000 2.428 431 E HA 0.277 4.641 4.350 0.023 0.000 0.199 431 E C 1.727 178.316 176.600 -0.018 0.000 1.172 431 E CA 0.227 56.625 56.400 -0.003 0.000 0.941 431 E CB -0.490 29.210 29.700 -0.000 0.000 1.001 431 E HN 0.511 nan 8.360 nan 0.000 0.501 432 G N 2.280 111.067 108.800 -0.022 0.000 2.189 432 G HA2 -0.420 3.553 3.960 0.023 0.000 0.267 432 G HA3 -0.420 3.553 3.960 0.023 0.000 0.267 432 G C 0.428 175.302 174.900 -0.044 0.000 0.975 432 G CA 0.702 45.785 45.100 -0.029 0.000 0.644 432 G HN 0.466 nan 8.290 nan 0.000 0.537 433 R N 0.259 120.722 120.500 -0.061 0.000 2.490 433 R HA 0.632 4.985 4.340 0.023 0.000 0.280 433 R C 0.559 176.809 176.300 -0.083 0.000 1.077 433 R CA -0.895 55.147 56.100 -0.097 0.000 1.065 433 R CB 0.666 30.842 30.300 -0.205 0.000 1.003 433 R HN 0.180 nan 8.270 nan 0.000 0.470 434 L N 2.909 124.089 121.223 -0.071 0.000 2.490 434 L HA 0.066 4.420 4.340 0.023 0.000 0.274 434 L C -0.205 176.621 176.870 -0.073 0.000 1.201 434 L CA -0.304 54.504 54.840 -0.055 0.000 0.869 434 L CB 0.944 42.994 42.059 -0.015 0.000 1.123 434 L HN 0.492 nan 8.230 nan 0.000 0.484 435 V N 4.159 123.987 119.914 -0.143 0.000 2.348 435 V HA 0.133 4.267 4.120 0.023 0.000 0.270 435 V C 0.442 176.525 176.094 -0.019 0.000 1.037 435 V CA -0.130 62.035 62.300 -0.225 0.000 0.872 435 V CB 1.134 32.728 31.823 -0.381 0.000 1.002 435 V HN 0.733 nan 8.190 nan 0.000 0.464 436 N N 2.151 120.912 118.700 0.101 0.000 2.503 436 N HA 0.174 4.928 4.740 0.023 0.000 0.210 436 N C -0.144 175.481 175.510 0.191 0.000 1.077 436 N CA 0.329 53.464 53.050 0.141 0.000 0.855 436 N CB 0.674 39.258 38.487 0.161 0.000 1.323 436 N HN 0.631 nan 8.380 nan 0.000 0.452 437 C N 0.710 120.169 119.300 0.264 0.000 2.482 437 C HA 0.784 5.258 4.460 0.023 0.000 0.317 437 C C -1.124 174.053 174.990 0.311 0.000 1.197 437 C CA -0.452 58.748 59.018 0.303 0.000 1.432 437 C CB 0.424 28.351 27.740 0.311 0.000 2.062 437 C HN -0.032 nan 8.230 nan 0.000 0.471 438 V N 5.026 125.133 119.914 0.322 0.000 2.686 438 V HA 0.537 4.671 4.120 0.023 0.000 0.306 438 V C -1.190 175.131 176.094 0.379 0.000 1.065 438 V CA -0.413 62.051 62.300 0.274 0.000 0.894 438 V CB 1.922 33.825 31.823 0.134 0.000 1.004 438 V HN 0.894 nan 8.190 nan 0.000 0.424 439 W N 7.038 128.435 121.300 0.161 0.000 2.361 439 W HA 0.671 5.340 4.660 0.015 0.000 0.314 439 W C -0.143 176.439 176.519 0.104 0.000 1.041 439 W CA -1.016 56.448 57.345 0.198 0.000 1.241 439 W CB 1.225 30.754 29.460 0.114 0.000 1.279 439 W HN 0.609 nan 8.180 nan 0.000 0.436 440 K N 2.997 122.971 120.400 -0.709 0.000 2.166 440 K HA 0.611 4.945 4.320 0.023 0.000 0.245 440 K C 0.016 175.981 176.600 -1.059 0.000 0.967 440 K CA -0.791 55.099 56.287 -0.662 0.000 0.863 440 K CB 2.060 34.350 32.500 -0.349 0.000 1.107 440 K HN 0.303 nan 8.250 nan 0.000 0.436 441 T N 0.338 114.474 114.554 -0.697 0.000 3.015 441 T HA 0.135 4.499 4.350 0.023 0.000 0.250 441 T C -0.489 173.980 174.700 -0.384 0.000 1.057 441 T CA -0.257 61.491 62.100 -0.587 0.000 1.066 441 T CB -0.026 68.536 68.868 -0.510 0.000 0.959 441 T HN 0.492 nan 8.240 nan 0.000 0.488 442 W N 2.190 123.272 121.300 -0.363 0.000 2.137 442 W HA 0.564 5.236 4.660 0.021 0.000 0.344 442 W C 0.502 176.822 176.519 -0.331 0.000 1.286 442 W CA -0.880 56.287 57.345 -0.297 0.000 1.240 442 W CB 0.250 29.526 29.460 -0.306 0.000 1.141 442 W HN 0.051 nan 8.180 nan 0.000 0.579 443 A N 2.114 124.946 122.820 0.021 0.000 2.316 443 A HA 0.287 4.621 4.320 0.023 0.000 0.284 443 A C 0.103 177.610 177.584 -0.128 0.000 1.115 443 A CA -0.651 51.347 52.037 -0.065 0.000 0.812 443 A CB 0.220 19.217 19.000 -0.004 0.000 1.064 443 A HN 0.926 nan 8.150 nan 0.000 0.489 444 W N 0.084 121.231 121.300 -0.254 0.000 2.374 444 W HA -0.111 4.558 4.660 0.015 0.000 0.288 444 W C 1.880 177.945 176.519 -0.755 0.000 1.218 444 W CA 1.149 58.195 57.345 -0.498 0.000 1.245 444 W CB 0.233 29.301 29.460 -0.653 0.000 1.126 444 W HN 0.770 nan 8.180 nan 0.000 0.545 445 E N -0.376 119.636 120.200 -0.313 0.000 2.209 445 E HA -0.158 4.206 4.350 0.023 0.000 0.196 445 E C 1.897 178.514 176.600 0.028 0.000 0.993 445 E CA 1.612 57.902 56.400 -0.183 0.000 0.819 445 E CB -0.429 29.277 29.700 0.010 0.000 0.745 445 E HN 0.272 nan 8.360 nan 0.000 0.477 446 T N 0.667 115.236 114.554 0.026 0.000 2.821 446 T HA -0.081 4.283 4.350 0.023 0.000 0.267 446 T C 1.907 176.639 174.700 0.053 0.000 1.046 446 T CA 1.254 63.396 62.100 0.071 0.000 1.139 446 T CB -0.056 68.872 68.868 0.100 0.000 0.871 446 T HN 0.251 nan 8.240 nan 0.000 0.454 447 A N 0.732 123.572 122.820 0.033 0.000 1.929 447 A HA 0.118 4.452 4.320 0.023 0.000 0.216 447 A C 2.047 179.813 177.584 0.303 0.000 1.176 447 A CA 0.879 52.981 52.037 0.109 0.000 0.628 447 A CB -0.938 18.153 19.000 0.152 0.000 0.816 447 A HN 0.569 nan 8.150 nan 0.000 0.444 448 F N -0.146 119.885 119.950 0.135 0.000 2.161 448 F HA -0.217 4.324 4.527 0.024 0.000 0.300 448 F C 2.299 178.150 175.800 0.086 0.000 1.089 448 F CA 0.774 58.841 58.000 0.113 0.000 1.282 448 F CB -0.153 38.928 39.000 0.135 0.000 1.010 448 F HN 0.247 nan 8.300 nan 0.000 0.485 449 D N 0.351 120.917 120.400 0.278 0.000 2.117 449 D HA -0.174 4.480 4.640 0.023 0.000 0.197 449 D C 2.149 178.525 176.300 0.126 0.000 0.987 449 D CA 1.150 55.256 54.000 0.176 0.000 0.829 449 D CB -0.243 40.640 40.800 0.138 0.000 0.961 449 D HN 0.413 nan 8.370 nan 0.000 0.460 450 Q N -0.232 119.631 119.800 0.106 0.000 2.181 450 Q HA -0.162 4.192 4.340 0.023 0.000 0.205 450 Q C 2.253 178.294 176.000 0.070 0.000 0.980 450 Q CA 0.823 56.665 55.803 0.066 0.000 0.862 450 Q CB 0.032 28.789 28.738 0.032 0.000 0.905 450 Q HN 0.308 nan 8.270 nan 0.000 0.429 451 I N 0.454 121.071 120.570 0.079 0.000 2.233 451 I HA -0.214 3.970 4.170 0.023 0.000 0.243 451 I C 2.254 178.435 176.117 0.107 0.000 1.093 451 I CA 1.264 62.586 61.300 0.036 0.000 1.380 451 I CB -0.228 37.750 38.000 -0.036 0.000 1.067 451 I HN 0.032 nan 8.210 nan 0.000 0.413 452 R N 0.354 120.921 120.500 0.112 0.000 2.127 452 R HA -0.199 4.155 4.340 0.023 0.000 0.238 452 R C 2.105 178.467 176.300 0.103 0.000 1.134 452 R CA 1.413 57.581 56.100 0.113 0.000 0.975 452 R CB -0.496 29.871 30.300 0.112 0.000 0.865 452 R HN 0.472 nan 8.270 nan 0.000 0.447 453 E N 0.355 120.612 120.200 0.094 0.000 2.160 453 E HA -0.124 4.240 4.350 0.023 0.000 0.195 453 E C 0.725 177.376 176.600 0.084 0.000 0.991 453 E CA 0.827 57.273 56.400 0.077 0.000 0.810 453 E CB 0.062 29.801 29.700 0.065 0.000 0.742 453 E HN 0.044 nan 8.360 nan 0.000 0.466 459 F N 0.169 120.092 119.950 -0.044 0.000 2.368 459 F HA 0.693 5.234 4.527 0.024 0.000 0.315 459 F C 1.299 177.074 175.800 -0.041 0.000 1.145 459 F CA -1.089 56.889 58.000 -0.037 0.000 1.095 459 F CB 0.329 39.310 39.000 -0.033 0.000 1.286 459 F HN 0.467 nan 8.300 nan 0.000 0.530 460 A N -0.147 122.797 122.820 0.207 0.000 2.348 460 A HA 0.763 5.097 4.320 0.023 0.000 0.224 460 A C 0.521 178.153 177.584 0.079 0.000 1.227 460 A CA 0.558 52.659 52.037 0.106 0.000 0.885 460 A CB -0.791 18.242 19.000 0.055 0.000 0.933 460 A HN 1.148 nan 8.150 nan 0.000 0.506 461 A N -1.729 121.137 122.820 0.078 0.000 2.564 461 A HA 0.538 4.872 4.320 0.023 0.000 0.291 461 A C -0.831 176.650 177.584 -0.173 0.000 1.102 461 A CA -0.451 51.571 52.037 -0.024 0.000 0.660 461 A CB 0.031 19.022 19.000 -0.015 0.000 1.283 461 A HN 0.453 nan 8.150 nan 0.000 0.430 462 V N 2.654 122.455 119.914 -0.188 0.000 2.493 462 V HA 0.173 4.307 4.120 0.023 0.000 0.292 462 V C -1.490 174.446 176.094 -0.263 0.000 1.016 462 V CA 0.052 62.177 62.300 -0.291 0.000 1.097 462 V CB 0.438 32.173 31.823 -0.147 0.000 0.947 462 V HN 0.673 nan 8.190 nan 0.000 0.479 463 P HA 0.094 nan 4.420 nan 0.000 0.237 463 P C 0.011 177.257 177.300 -0.090 0.000 1.701 463 P CA 0.074 63.047 63.100 -0.211 0.000 0.955 463 P CB -0.405 31.146 31.700 -0.249 0.000 1.937 464 I N -2.262 118.273 120.570 -0.058 0.000 2.713 464 I HA 0.495 4.679 4.170 0.023 0.000 0.300 464 I C 0.277 176.392 176.117 -0.003 0.000 1.009 464 I CA -1.358 59.941 61.300 -0.001 0.000 1.305 464 I CB 1.061 39.078 38.000 0.029 0.000 1.430 464 I HN -0.202 nan 8.210 nan 0.000 0.546 465 R N 1.459 121.978 120.500 0.032 0.000 2.457 465 R HA 0.486 4.840 4.340 0.023 0.000 0.284 465 R C 0.198 176.343 176.300 -0.258 0.000 1.024 465 R CA 0.112 56.153 56.100 -0.100 0.000 1.025 465 R CB 1.433 31.710 30.300 -0.039 0.000 1.063 465 R HN 0.882 nan 8.270 nan 0.000 0.493 466 T N -1.683 112.512 114.554 -0.598 0.000 3.460 466 T HA 0.466 4.830 4.350 0.023 0.000 0.304 466 T C 0.018 174.004 174.700 -1.189 0.000 0.991 466 T CA -0.227 61.379 62.100 -0.823 0.000 0.975 466 T CB 0.556 69.231 68.868 -0.322 0.000 1.196 466 T HN 0.702 nan 8.240 nan 0.000 0.490 467 G N 0.189 108.076 108.800 -1.522 0.000 2.402 467 G HA2 0.465 4.439 3.960 0.023 0.000 0.301 467 G HA3 0.465 4.439 3.960 0.023 0.000 0.301 467 G C -2.213 172.372 174.900 -0.524 0.000 1.615 467 G CA -0.712 43.847 45.100 -0.902 0.000 0.889 467 G HN 0.559 nan 8.290 nan 0.000 0.647 468 H N 1.831 120.754 119.070 -0.245 0.000 3.094 468 H HA 0.334 4.904 4.556 0.024 0.000 0.335 468 H C -2.177 173.191 175.328 0.067 0.000 1.254 468 H CA -0.711 55.322 56.048 -0.026 0.000 1.240 468 H CB 2.493 32.343 29.762 0.147 0.000 1.936 468 H HN 0.289 nan 8.280 nan 0.000 0.536 469 P HA -0.149 nan 4.420 nan 0.000 0.212 469 P C 0.850 178.238 177.300 0.146 0.000 1.178 469 P CA 1.515 64.581 63.100 -0.057 0.000 0.915 469 P CB 0.382 31.971 31.700 -0.186 0.000 0.788 470 Q N -1.622 118.375 119.800 0.329 0.000 2.472 470 Q HA 0.047 4.400 4.340 0.023 0.000 0.208 470 Q C 0.120 176.278 176.000 0.262 0.000 0.958 470 Q CA 0.344 56.313 55.803 0.276 0.000 0.932 470 Q CB -0.782 28.112 28.738 0.260 0.000 1.007 470 Q HN 0.285 nan 8.270 nan 0.000 0.508 471 N N 0.641 119.586 118.700 0.407 0.000 2.783 471 N HA -0.205 4.549 4.740 0.023 0.000 0.247 471 N C -1.135 174.457 175.510 0.138 0.000 1.089 471 N CA 0.020 53.283 53.050 0.354 0.000 0.690 471 N CB -0.440 38.159 38.487 0.186 0.000 0.991 471 N HN 0.346 nan 8.380 nan 0.000 0.552 472 E N 1.148 121.380 120.200 0.054 0.000 2.001 472 E HA 0.251 4.615 4.350 0.023 0.000 0.279 472 E C -0.487 176.020 176.600 -0.156 0.000 1.045 472 E CA -0.487 55.800 56.400 -0.190 0.000 0.833 472 E CB 0.768 30.218 29.700 -0.418 0.000 1.077 472 E HN 0.121 nan 8.360 nan 0.000 0.397 473 V N 5.862 125.596 119.914 -0.299 0.000 2.385 473 V HA 0.274 4.408 4.120 0.023 0.000 0.269 473 V C 0.465 176.433 176.094 -0.210 0.000 1.043 473 V CA -0.395 61.687 62.300 -0.363 0.000 0.906 473 V CB 0.941 32.359 31.823 -0.675 0.000 0.995 473 V HN 0.653 nan 8.190 nan 0.000 0.467 474 R N 3.018 123.451 120.500 -0.112 0.000 2.549 474 R HA 0.403 4.757 4.340 0.023 0.000 0.267 474 R C 1.357 177.531 176.300 -0.210 0.000 1.045 474 R CA -0.822 55.192 56.100 -0.144 0.000 1.115 474 R CB 0.813 31.067 30.300 -0.077 0.000 1.121 474 R HN 0.580 nan 8.270 nan 0.000 0.543 475 L N 1.987 123.018 121.223 -0.321 0.000 1.997 475 L HA -0.245 4.109 4.340 0.023 0.000 0.216 475 L C 2.157 178.870 176.870 -0.262 0.000 1.074 475 L CA 2.102 56.670 54.840 -0.454 0.000 0.763 475 L CB -0.429 41.240 42.059 -0.650 0.000 0.890 475 L HN 0.745 nan 8.230 nan 0.000 0.434 476 I N -2.807 117.680 120.570 -0.138 0.000 2.423 476 I HA -0.271 3.913 4.170 0.023 0.000 0.254 476 I C 1.692 177.814 176.117 0.008 0.000 1.151 476 I CA 1.408 62.694 61.300 -0.023 0.000 1.421 476 I CB -0.850 37.164 38.000 0.024 0.000 1.079 476 I HN 0.209 nan 8.210 nan 0.000 0.431 477 D N 1.499 121.905 120.400 0.009 0.000 2.309 477 D HA -0.075 4.579 4.640 0.023 0.000 0.212 477 D C 2.299 178.637 176.300 0.064 0.000 0.968 477 D CA 1.133 55.196 54.000 0.104 0.000 0.882 477 D CB 0.113 41.047 40.800 0.222 0.000 0.918 477 D HN 0.416 nan 8.370 nan 0.000 0.503 478 V N 0.421 120.310 119.914 -0.042 0.000 2.490 478 V HA -0.037 4.096 4.120 0.023 0.000 0.238 478 V C 2.550 178.633 176.094 -0.019 0.000 1.056 478 V CA 0.326 62.589 62.300 -0.062 0.000 1.075 478 V CB -0.412 31.319 31.823 -0.154 0.000 0.746 478 V HN 0.087 nan 8.190 nan 0.000 0.479 479 L N 0.019 121.207 121.223 -0.057 0.000 2.187 479 L HA -0.084 4.270 4.340 0.023 0.000 0.213 479 L C 1.779 178.791 176.870 0.236 0.000 1.100 479 L CA 1.432 56.278 54.840 0.010 0.000 0.765 479 L CB -0.400 41.537 42.059 -0.203 0.000 0.904 479 L HN 0.317 nan 8.230 nan 0.000 0.437 480 L N -0.380 120.955 121.223 0.185 0.000 2.872 480 L HA 0.185 4.539 4.340 0.023 0.000 0.245 480 L C 0.537 177.476 176.870 0.116 0.000 1.211 480 L CA -0.417 54.533 54.840 0.183 0.000 1.013 480 L CB 0.117 42.272 42.059 0.159 0.000 1.326 480 L HN 0.050 nan 8.230 nan 0.000 0.525 481 R N 1.509 122.075 120.500 0.109 0.000 2.298 481 R HA 0.207 4.561 4.340 0.023 0.000 0.310 481 R C -1.694 174.662 176.300 0.094 0.000 1.068 481 R CA -1.590 54.567 56.100 0.095 0.000 0.957 481 R CB 0.697 31.056 30.300 0.097 0.000 1.003 481 R HN -0.173 nan 8.270 nan 0.000 0.454 482 P HA -0.153 nan 4.420 nan 0.000 0.216 482 P C -0.036 177.313 177.300 0.082 0.000 1.153 482 P CA 1.270 64.416 63.100 0.076 0.000 0.858 482 P CB 0.291 32.027 31.700 0.060 0.000 0.789 483 E N -1.151 119.097 120.200 0.080 0.000 2.418 483 E HA -0.004 4.360 4.350 0.023 0.000 0.197 483 E C 0.272 176.928 176.600 0.093 0.000 1.026 483 E CA 0.266 56.715 56.400 0.082 0.000 0.862 483 E CB -0.566 29.179 29.700 0.074 0.000 0.799 483 E HN 0.086 nan 8.360 nan 0.000 0.518 484 V N 2.162 122.134 119.914 0.096 0.000 2.408 484 V HA 0.099 4.233 4.120 0.023 0.000 0.267 484 V C -0.164 176.003 176.094 0.121 0.000 1.047 484 V CA -0.697 61.666 62.300 0.105 0.000 0.937 484 V CB 0.880 32.754 31.823 0.086 0.000 0.999 484 V HN 0.124 nan 8.190 nan 0.000 0.472 485 L N 7.947 129.252 121.223 0.138 0.000 2.312 485 L HA 0.481 4.835 4.340 0.023 0.000 0.287 485 L C -0.074 176.866 176.870 0.116 0.000 1.091 485 L CA 0.415 55.321 54.840 0.111 0.000 0.846 485 L CB 1.153 43.300 42.059 0.147 0.000 1.219 485 L HN 0.579 nan 8.230 nan 0.000 0.439 486 V N 4.972 124.922 119.914 0.060 0.000 2.612 486 V HA 0.616 4.750 4.120 0.023 0.000 0.301 486 V C -0.875 175.198 176.094 -0.036 0.000 1.046 486 V CA -0.358 62.009 62.300 0.111 0.000 0.946 486 V CB 1.501 33.397 31.823 0.121 0.000 1.003 486 V HN 0.545 nan 8.190 nan 0.000 0.459 487 F N 3.279 123.374 119.950 0.242 0.000 2.507 487 F HA 0.616 5.152 4.527 0.015 0.000 0.325 487 F C 0.396 176.288 175.800 0.152 0.000 1.116 487 F CA -0.684 57.486 58.000 0.283 0.000 0.930 487 F CB 1.716 41.010 39.000 0.489 0.000 1.146 487 F HN 0.473 nan 8.300 nan 0.000 0.447 488 E N 3.575 123.914 120.200 0.233 0.000 2.366 488 E HA 0.241 4.605 4.350 0.023 0.000 0.266 488 E C -2.331 174.393 176.600 0.206 0.000 1.051 488 E CA -2.062 54.466 56.400 0.213 0.000 0.884 488 E CB 0.358 30.110 29.700 0.088 0.000 1.006 488 E HN 0.198 nan 8.360 nan 0.000 0.417 489 P HA -0.058 nan 4.420 nan 0.000 0.270 489 P C 1.016 178.228 177.300 -0.146 0.000 1.227 489 P CA -0.306 62.757 63.100 -0.061 0.000 0.788 489 P CB 0.514 32.118 31.700 -0.160 0.000 0.926 490 L N 2.652 123.725 121.223 -0.250 0.000 2.013 490 L HA -0.148 4.206 4.340 0.023 0.000 0.212 490 L C 2.069 178.641 176.870 -0.497 0.000 1.073 490 L CA 1.724 56.072 54.840 -0.819 0.000 0.753 490 L CB -1.584 40.083 42.059 -0.653 0.000 0.890 490 L HN 0.597 nan 8.230 nan 0.000 0.432 491 W N -0.572 120.634 121.300 -0.156 0.000 2.359 491 W HA -0.253 4.406 4.660 -0.003 0.000 0.275 491 W C 1.815 178.268 176.519 -0.111 0.000 1.217 491 W CA 1.346 58.629 57.345 -0.103 0.000 1.196 491 W CB -2.007 27.511 29.460 0.098 0.000 1.129 491 W HN 0.470 nan 8.180 nan 0.000 0.566 492 T N 0.251 114.451 114.554 -0.590 0.000 3.025 492 T HA -0.169 4.195 4.350 0.023 0.000 0.270 492 T C 1.844 176.441 174.700 -0.171 0.000 1.126 492 T CA 1.674 63.478 62.100 -0.494 0.000 1.105 492 T CB -1.003 67.507 68.868 -0.596 0.000 0.884 492 T HN 0.232 nan 8.240 nan 0.000 0.522 493 V N -0.952 118.877 119.914 -0.141 0.000 2.913 493 V HA 0.024 4.158 4.120 0.023 0.000 0.260 493 V C 2.271 178.398 176.094 0.056 0.000 1.098 493 V CA 0.550 62.833 62.300 -0.029 0.000 1.121 493 V CB -1.066 30.759 31.823 0.003 0.000 0.714 493 V HN 0.339 nan 8.190 nan 0.000 0.487 494 I N 1.341 121.913 120.570 0.003 0.000 2.141 494 I HA 0.007 4.191 4.170 0.023 0.000 0.236 494 I C 0.411 176.634 176.117 0.177 0.000 1.071 494 I CA 1.337 62.622 61.300 -0.024 0.000 1.345 494 I CB -2.567 35.264 38.000 -0.280 0.000 1.066 494 I HN 0.328 nan 8.210 nan 0.000 0.406 495 P HA -0.092 nan 4.420 nan 0.000 0.225 495 P C 1.357 178.715 177.300 0.097 0.000 1.148 495 P CA 1.507 64.747 63.100 0.232 0.000 0.779 495 P CB -0.144 31.657 31.700 0.168 0.000 0.780 496 G N -0.814 107.989 108.800 0.006 0.000 2.939 496 G HA2 -0.064 3.910 3.960 0.023 0.000 0.210 496 G HA3 -0.064 3.910 3.960 0.023 0.000 0.210 496 G C 0.495 175.424 174.900 0.049 0.000 1.160 496 G CA -0.180 44.897 45.100 -0.038 0.000 0.770 496 G HN 0.333 nan 8.290 nan 0.000 0.543 497 N N -0.074 118.723 118.700 0.161 0.000 2.455 497 N HA 0.236 4.990 4.740 0.023 0.000 0.280 497 N C 1.148 176.705 175.510 0.078 0.000 1.055 497 N CA -0.460 52.684 53.050 0.155 0.000 0.961 497 N CB 0.715 39.427 38.487 0.376 0.000 1.121 497 N HN -0.118 nan 8.380 nan 0.000 0.476 498 K N 2.322 122.706 120.400 -0.028 0.000 2.555 498 K HA -0.035 4.298 4.320 0.023 0.000 0.193 498 K C 1.218 177.714 176.600 -0.174 0.000 1.032 498 K CA 0.417 56.662 56.287 -0.069 0.000 1.004 498 K CB 0.084 32.526 32.500 -0.098 0.000 0.804 498 K HN 0.600 nan 8.250 nan 0.000 0.496 499 A N 1.017 123.653 122.820 -0.306 0.000 2.121 499 A HA -0.098 4.236 4.320 0.023 0.000 0.218 499 A C 1.919 179.271 177.584 -0.387 0.000 1.154 499 A CA 0.759 52.524 52.037 -0.452 0.000 0.679 499 A CB -0.249 18.127 19.000 -1.041 0.000 0.795 499 A HN 0.268 nan 8.150 nan 0.000 0.458 500 I N -0.638 119.842 120.570 -0.150 0.000 2.928 500 I HA -0.079 4.105 4.170 0.023 0.000 0.266 500 I C 1.910 178.034 176.117 0.012 0.000 1.234 500 I CA 0.701 62.092 61.300 0.151 0.000 1.483 500 I CB -0.100 38.091 38.000 0.318 0.000 1.097 500 I HN 0.315 nan 8.210 nan 0.000 0.455 501 L N 0.900 122.081 121.223 -0.071 0.000 2.056 501 L HA -0.095 4.259 4.340 0.023 0.000 0.207 501 L C -0.348 176.471 176.870 -0.085 0.000 1.078 501 L CA 1.316 56.101 54.840 -0.090 0.000 0.749 501 L CB -1.867 40.126 42.059 -0.111 0.000 0.901 501 L HN 0.208 nan 8.230 nan 0.000 0.433 502 P HA -0.120 nan 4.420 nan 0.000 0.221 502 P C 1.691 179.031 177.300 0.066 0.000 1.150 502 P CA 1.008 64.030 63.100 -0.131 0.000 0.800 502 P CB 0.107 31.516 31.700 -0.485 0.000 0.787 503 I N -1.302 119.305 120.570 0.062 0.000 2.286 503 I HA -0.138 4.046 4.170 0.023 0.000 0.245 503 I C 2.089 178.235 176.117 0.048 0.000 1.104 503 I CA 1.158 62.509 61.300 0.086 0.000 1.397 503 I CB -1.558 36.514 38.000 0.121 0.000 1.072 503 I HN -0.012 nan 8.210 nan 0.000 0.417 504 L N 0.216 121.466 121.223 0.045 0.000 2.093 504 L HA -0.177 4.177 4.340 0.023 0.000 0.208 504 L C 2.363 179.329 176.870 0.161 0.000 1.085 504 L CA 1.656 56.541 54.840 0.075 0.000 0.755 504 L CB -0.866 41.127 42.059 -0.109 0.000 0.904 504 L HN 0.390 nan 8.230 nan 0.000 0.435 505 W N -0.853 120.416 121.300 -0.051 0.000 2.381 505 W HA -0.219 4.451 4.660 0.017 0.000 0.301 505 W C 2.451 178.932 176.519 -0.064 0.000 1.205 505 W CA 1.394 58.704 57.345 -0.059 0.000 1.285 505 W CB -0.218 29.181 29.460 -0.101 0.000 1.133 505 W HN 0.278 nan 8.180 nan 0.000 0.521 506 S N 0.801 116.492 115.700 -0.014 0.000 2.382 506 S HA -0.171 4.313 4.470 0.023 0.000 0.228 506 S C 1.945 176.399 174.600 -0.244 0.000 1.027 506 S CA 1.449 59.572 58.200 -0.128 0.000 0.991 506 S CB -0.411 62.780 63.200 -0.015 0.000 0.823 506 S HN 0.302 nan 8.310 nan 0.000 0.469 507 L N -0.779 120.281 121.223 -0.270 0.000 2.179 507 L HA 0.180 4.534 4.340 0.023 0.000 0.208 507 L C -0.010 176.341 176.870 -0.865 0.000 1.096 507 L CA 0.680 55.175 54.840 -0.575 0.000 0.779 507 L CB -0.024 41.617 42.059 -0.697 0.000 0.922 507 L HN 0.277 nan 8.230 nan 0.000 0.443 508 F N -0.842 118.984 119.950 -0.207 0.000 2.564 508 F HA 0.345 4.895 4.527 0.038 0.000 0.329 508 F C -2.342 173.207 175.800 -0.418 0.000 1.458 508 F CA -2.448 55.428 58.000 -0.207 0.000 1.117 508 F CB -0.102 38.817 39.000 -0.136 0.000 1.383 508 F HN -0.254 nan 8.300 nan 0.000 0.571 509 P HA -0.026 nan 4.420 nan 0.000 0.260 509 P C -0.248 176.553 177.300 -0.833 0.000 1.172 509 P CA 0.911 63.349 63.100 -1.104 0.000 0.760 509 P CB 0.039 31.385 31.700 -0.591 0.000 0.773 510 H N -1.508 116.935 119.070 -1.045 0.000 2.921 510 H HA -0.248 4.322 4.556 0.024 0.000 0.281 510 H C 0.756 176.049 175.328 -0.060 0.000 1.165 510 H CA 0.621 56.539 56.048 -0.216 0.000 1.151 510 H CB -2.372 27.338 29.762 -0.087 0.000 1.311 510 H HN 0.614 nan 8.280 nan 0.000 0.361 511 H N 1.394 120.395 119.070 -0.115 0.000 2.897 511 H HA 0.068 4.640 4.556 0.026 0.000 0.347 511 H C 1.771 177.072 175.328 -0.046 0.000 1.068 511 H CA 0.983 56.994 56.048 -0.062 0.000 1.426 511 H CB 0.519 30.245 29.762 -0.059 0.000 1.410 511 H HN 0.477 nan 8.280 nan 0.000 0.597 512 R N 2.915 123.140 120.500 -0.459 0.000 2.159 512 R HA -0.256 4.097 4.340 0.023 0.000 0.252 512 R C 0.941 177.160 176.300 -0.135 0.000 1.144 512 R CA 2.522 58.374 56.100 -0.414 0.000 0.961 512 R CB -0.154 29.597 30.300 -0.916 0.000 0.877 512 R HN 0.614 nan 8.270 nan 0.000 0.444 513 Y N -0.643 119.850 120.300 0.322 0.000 2.462 513 Y HA 0.277 4.854 4.550 0.045 0.000 0.261 513 Y C 0.448 176.367 175.900 0.032 0.000 1.146 513 Y CA -0.188 57.993 58.100 0.136 0.000 1.283 513 Y CB 0.274 38.831 38.460 0.163 0.000 1.090 513 Y HN -0.041 nan 8.280 nan 0.000 0.526 514 L N 0.943 122.323 121.223 0.262 0.000 2.379 514 L HA 0.373 4.727 4.340 0.023 0.000 0.269 514 L C -0.407 176.539 176.870 0.127 0.000 1.084 514 L CA -0.543 54.416 54.840 0.198 0.000 0.802 514 L CB 1.271 43.533 42.059 0.339 0.000 1.175 514 L HN -0.061 nan 8.230 nan 0.000 0.448 515 L N 1.254 122.451 121.223 -0.044 0.000 2.334 515 L HA 0.324 4.678 4.340 0.023 0.000 0.276 515 L C -0.093 176.395 176.870 -0.637 0.000 1.014 515 L CA -0.760 53.930 54.840 -0.250 0.000 0.815 515 L CB 1.767 43.725 42.059 -0.167 0.000 1.268 515 L HN 0.516 nan 8.230 nan 0.000 0.428 516 D N 1.891 121.608 120.400 -1.138 0.000 2.450 516 D HA 0.090 4.744 4.640 0.023 0.000 0.247 516 D C -0.829 174.936 176.300 -0.892 0.000 1.162 516 D CA 0.500 53.385 54.000 -1.857 0.000 0.879 516 D CB 0.800 40.873 40.800 -1.211 0.000 1.163 516 D HN 0.443 nan 8.370 nan 0.000 0.472 517 T N 3.850 117.927 114.554 -0.794 0.000 2.886 517 T HA 0.382 4.746 4.350 0.023 0.000 0.292 517 T C -0.663 173.835 174.700 -0.337 0.000 1.012 517 T CA -0.901 60.961 62.100 -0.398 0.000 0.982 517 T CB 2.215 70.910 68.868 -0.288 0.000 1.018 517 T HN 0.310 nan 8.240 nan 0.000 0.451 518 D N -0.132 120.108 120.400 -0.266 0.000 2.592 518 D HA 0.445 5.099 4.640 0.023 0.000 0.263 518 D C -0.391 175.776 176.300 -0.222 0.000 1.132 518 D CA -0.831 53.042 54.000 -0.212 0.000 0.996 518 D CB 1.737 42.484 40.800 -0.088 0.000 1.442 518 D HN 0.423 nan 8.370 nan 0.000 0.486 519 F N -0.002 119.987 119.950 0.065 0.000 2.727 519 F HA 0.134 4.676 4.527 0.024 0.000 0.302 519 F C 1.093 176.999 175.800 0.176 0.000 1.097 519 F CA 0.157 58.224 58.000 0.113 0.000 1.330 519 F CB 0.594 39.616 39.000 0.037 0.000 1.084 519 F HN 0.156 nan 8.300 nan 0.000 0.578 520 T N -3.460 111.181 114.554 0.144 0.000 2.841 520 T HA 0.531 4.895 4.350 0.023 0.000 0.296 520 T C -0.755 173.623 174.700 -0.538 0.000 1.166 520 T CA -0.880 61.093 62.100 -0.212 0.000 1.007 520 T CB 1.748 70.551 68.868 -0.109 0.000 1.253 520 T HN -0.340 nan 8.240 nan 0.000 0.511 521 V N 3.672 123.096 119.914 -0.817 0.000 2.338 521 V HA 0.289 4.423 4.120 0.023 0.000 0.255 521 V C 0.528 176.399 176.094 -0.372 0.000 1.082 521 V CA -0.758 61.088 62.300 -0.757 0.000 0.951 521 V CB -1.246 30.064 31.823 -0.854 0.000 1.102 521 V HN 0.962 nan 8.190 nan 0.000 0.489 522 N N 2.654 121.203 118.700 -0.251 0.000 2.413 522 N HA 0.189 4.943 4.740 0.023 0.000 0.266 522 N C 0.584 176.041 175.510 -0.088 0.000 1.238 522 N CA -0.675 52.298 53.050 -0.129 0.000 0.972 522 N CB 0.522 38.967 38.487 -0.070 0.000 1.210 522 N HN 0.251 nan 8.380 nan 0.000 0.547 523 D N -0.878 119.498 120.400 -0.040 0.000 2.133 523 D HA -0.210 4.444 4.640 0.023 0.000 0.195 523 D C 1.402 177.706 176.300 0.007 0.000 0.997 523 D CA 1.567 55.561 54.000 -0.011 0.000 0.840 523 D CB -0.166 40.637 40.800 0.006 0.000 0.947 523 D HN 0.819 nan 8.370 nan 0.000 0.452 524 E N 0.008 120.216 120.200 0.013 0.000 2.072 524 E HA -0.121 4.243 4.350 0.023 0.000 0.191 524 E C 1.796 178.410 176.600 0.024 0.000 0.985 524 E CA 0.627 57.045 56.400 0.030 0.000 0.801 524 E CB -0.365 29.365 29.700 0.050 0.000 0.750 524 E HN 0.105 nan 8.360 nan 0.000 0.452 525 L N -0.123 121.095 121.223 -0.008 0.000 2.093 525 L HA -0.079 4.275 4.340 0.023 0.000 0.208 525 L C 2.387 179.335 176.870 0.129 0.000 1.085 525 L CA 1.054 55.908 54.840 0.024 0.000 0.755 525 L CB -0.668 41.328 42.059 -0.105 0.000 0.904 525 L HN 0.121 nan 8.230 nan 0.000 0.435 526 V N -0.376 119.578 119.914 0.067 0.000 2.407 526 V HA -0.303 3.831 4.120 0.023 0.000 0.248 526 V C 2.550 178.717 176.094 0.121 0.000 1.055 526 V CA 1.851 64.226 62.300 0.126 0.000 1.049 526 V CB -0.619 31.237 31.823 0.056 0.000 0.662 526 V HN 0.511 nan 8.190 nan 0.000 0.455 527 K N 0.605 121.053 120.400 0.080 0.000 2.097 527 K HA -0.177 4.157 4.320 0.023 0.000 0.205 527 K C 2.116 178.750 176.600 0.057 0.000 1.050 527 K CA 1.922 58.247 56.287 0.063 0.000 0.938 527 K CB -0.187 32.335 32.500 0.038 0.000 0.718 527 K HN 0.651 nan 8.250 nan 0.000 0.442 528 T N -2.777 111.819 114.554 0.070 0.000 3.035 528 T HA 0.279 4.643 4.350 0.023 0.000 0.259 528 T C 0.893 175.646 174.700 0.089 0.000 1.078 528 T CA 0.275 62.405 62.100 0.050 0.000 1.132 528 T CB 0.060 68.970 68.868 0.069 0.000 0.900 528 T HN 0.452 nan 8.240 nan 0.000 0.480 529 G N 0.970 109.856 108.800 0.145 0.000 2.663 529 G HA2 0.302 4.276 3.960 0.023 0.000 0.686 529 G HA3 0.302 4.276 3.960 0.023 0.000 0.686 529 G C -0.976 174.002 174.900 0.130 0.000 1.288 529 G CA -0.515 44.617 45.100 0.053 0.000 0.836 529 G HN 1.423 nan 8.290 nan 0.000 0.584 530 Y N -3.243 117.087 120.300 0.050 0.000 2.620 530 Y HA 0.798 5.361 4.550 0.022 0.000 0.331 530 Y C -0.197 175.730 175.900 0.045 0.000 1.173 530 Y CA -1.015 57.117 58.100 0.054 0.000 1.076 530 Y CB 0.567 39.072 38.460 0.075 0.000 1.336 530 Y HN 2.057 nan 8.280 nan 0.000 0.459 531 A N 1.823 124.748 122.820 0.176 0.000 2.290 531 A HA 0.733 5.067 4.320 0.023 0.000 0.310 531 A C -1.109 176.554 177.584 0.132 0.000 1.202 531 A CA -0.807 51.271 52.037 0.069 0.000 0.837 531 A CB 0.773 19.758 19.000 -0.025 0.000 1.139 531 A HN 0.755 nan 8.150 nan 0.000 0.509 532 V N 3.621 123.579 119.914 0.073 0.000 2.383 532 V HA 0.374 4.508 4.120 0.023 0.000 0.275 532 V C -0.006 175.998 176.094 -0.151 0.000 1.036 532 V CA -0.230 62.014 62.300 -0.093 0.000 0.889 532 V CB 0.751 32.581 31.823 0.012 0.000 0.985 532 V HN 0.873 nan 8.190 nan 0.000 0.459 533 K N 6.497 126.757 120.400 -0.233 0.000 2.482 533 K HA 0.483 4.817 4.320 0.023 0.000 0.251 533 K C -2.933 173.559 176.600 -0.181 0.000 0.936 533 K CA -1.822 54.361 56.287 -0.175 0.000 0.791 533 K CB 2.932 35.337 32.500 -0.158 0.000 1.213 533 K HN 0.325 nan 8.250 nan 0.000 0.428 534 P HA 0.043 nan 4.420 nan 0.000 0.271 534 P C 0.821 178.034 177.300 -0.144 0.000 1.218 534 P CA -0.215 62.818 63.100 -0.112 0.000 0.780 534 P CB 0.542 32.207 31.700 -0.059 0.000 0.901 535 I N 0.334 120.842 120.570 -0.102 0.000 2.493 535 I HA -0.031 4.152 4.170 0.023 0.000 0.254 535 I C 1.356 177.415 176.117 -0.097 0.000 1.160 535 I CA 1.398 62.640 61.300 -0.098 0.000 1.445 535 I CB -0.531 37.428 38.000 -0.069 0.000 1.086 535 I HN 0.158 nan 8.210 nan 0.000 0.433 536 A N 1.264 124.015 122.820 -0.115 0.000 2.637 536 A HA 0.657 4.991 4.320 0.023 0.000 0.293 536 A C 0.890 178.203 177.584 -0.452 0.000 1.216 536 A CA -0.022 51.928 52.037 -0.144 0.000 0.956 536 A CB -0.748 18.257 19.000 0.009 0.000 1.174 536 A HN 0.458 nan 8.150 nan 0.000 0.525 537 G N 0.447 108.864 108.800 -0.638 0.000 2.543 537 G HA2 0.613 4.587 3.960 0.023 0.000 0.290 537 G HA3 0.613 4.587 3.960 0.023 0.000 0.290 537 G C -0.020 174.452 174.900 -0.713 0.000 1.310 537 G CA -0.538 43.795 45.100 -1.279 0.000 1.025 537 G HN 0.808 nan 8.290 nan 0.000 0.502 538 R N -3.688 116.475 120.500 -0.561 0.000 2.728 538 R HA 0.405 4.759 4.340 0.023 0.000 0.274 538 R C -0.426 175.846 176.300 -0.047 0.000 1.030 538 R CA -0.349 55.634 56.100 -0.196 0.000 0.876 538 R CB 0.175 30.411 30.300 -0.106 0.000 1.259 538 R HN 0.911 nan 8.270 nan 0.000 0.468 539 C N 0.231 119.514 119.300 -0.029 0.000 4.259 539 C HA -0.090 4.384 4.460 0.023 0.000 0.294 539 C C 1.457 176.445 174.990 -0.003 0.000 1.459 539 C CA 1.397 60.413 59.018 -0.003 0.000 2.016 539 C CB -2.301 25.457 27.740 0.030 0.000 1.274 539 C HN 1.617 nan 8.230 nan 0.000 0.792 540 G N -0.481 108.299 108.800 -0.032 0.000 2.147 540 G HA2 -0.173 3.800 3.960 0.023 0.000 0.244 540 G HA3 -0.173 3.800 3.960 0.023 0.000 0.244 540 G C -0.008 174.891 174.900 -0.002 0.000 1.005 540 G CA 0.414 45.489 45.100 -0.040 0.000 0.713 540 G HN 0.975 nan 8.290 nan 0.000 0.515 541 S N 0.137 115.868 115.700 0.051 0.000 2.565 541 S HA 0.460 4.944 4.470 0.023 0.000 0.274 541 S C 0.870 175.539 174.600 0.115 0.000 1.309 541 S CA 0.167 58.450 58.200 0.138 0.000 1.043 541 S CB 0.672 64.096 63.200 0.374 0.000 0.939 541 S HN 0.713 nan 8.310 nan 0.000 0.504 542 N N 0.834 119.592 118.700 0.097 0.000 2.705 542 N HA -0.151 4.602 4.740 0.023 0.000 0.255 542 N C -0.984 174.533 175.510 0.012 0.000 1.008 542 N CA 0.457 53.545 53.050 0.064 0.000 0.742 542 N CB -1.195 37.362 38.487 0.116 0.000 0.906 542 N HN 0.362 nan 8.380 nan 0.000 0.541 543 I N 0.167 120.727 120.570 -0.017 0.000 2.392 543 I HA 0.318 4.502 4.170 0.023 0.000 0.295 543 I C 0.128 176.218 176.117 -0.046 0.000 0.985 543 I CA -0.264 61.005 61.300 -0.052 0.000 1.221 543 I CB 1.474 39.423 38.000 -0.084 0.000 1.366 543 I HN 0.031 nan 8.210 nan 0.000 0.467 544 D N 6.698 127.073 120.400 -0.042 0.000 2.492 544 D HA 0.487 5.141 4.640 0.023 0.000 0.248 544 D C -0.441 175.819 176.300 -0.067 0.000 1.101 544 D CA -0.191 53.788 54.000 -0.035 0.000 0.840 544 D CB 2.029 42.837 40.800 0.013 0.000 1.209 544 D HN 0.240 nan 8.370 nan 0.000 0.524 545 L N 1.964 123.125 121.223 -0.103 0.000 2.287 545 L HA 0.565 4.919 4.340 0.023 0.000 0.287 545 L C -0.543 176.210 176.870 -0.195 0.000 1.022 545 L CA -0.985 53.769 54.840 -0.144 0.000 0.814 545 L CB 1.567 43.547 42.059 -0.131 0.000 1.217 545 L HN 0.004 nan 8.230 nan 0.000 0.420 546 V N 2.038 121.747 119.914 -0.342 0.000 2.444 546 V HA 0.287 4.421 4.120 0.023 0.000 0.294 546 V C 0.382 176.273 176.094 -0.337 0.000 1.022 546 V CA -0.610 61.450 62.300 -0.401 0.000 0.850 546 V CB 1.943 33.345 31.823 -0.702 0.000 0.992 546 V HN 0.931 nan 8.190 nan 0.000 0.426 547 S N 3.677 119.267 115.700 -0.183 0.000 2.596 547 S HA 0.098 4.582 4.470 0.023 0.000 0.260 547 S C 1.323 175.856 174.600 -0.113 0.000 1.336 547 S CA 0.206 58.338 58.200 -0.113 0.000 0.993 547 S CB 0.306 63.443 63.200 -0.105 0.000 0.923 547 S HN 0.913 nan 8.310 nan 0.000 0.567 548 H N -0.061 118.912 119.070 -0.162 0.000 2.491 548 H HA -0.039 4.531 4.556 0.023 0.000 0.290 548 H C 1.027 176.263 175.328 -0.153 0.000 1.050 548 H CA 1.443 57.392 56.048 -0.164 0.000 1.309 548 H CB -0.878 28.750 29.762 -0.223 0.000 1.392 548 H HN 0.768 nan 8.280 nan 0.000 0.554 549 H N 1.053 119.828 119.070 -0.491 0.000 2.556 549 H HA 0.004 4.574 4.556 0.024 0.000 0.268 549 H C 0.621 175.860 175.328 -0.149 0.000 0.996 549 H CA 0.870 56.727 56.048 -0.318 0.000 1.157 549 H CB 0.010 29.556 29.762 -0.359 0.000 1.355 549 H HN 0.587 nan 8.280 nan 0.000 0.597 550 E N 0.649 120.829 120.200 -0.034 0.000 2.694 550 E HA -0.184 4.180 4.350 0.023 0.000 0.272 550 E C -1.018 175.564 176.600 -0.029 0.000 1.040 550 E CA 0.224 56.616 56.400 -0.014 0.000 0.809 550 E CB -0.968 28.746 29.700 0.023 0.000 1.389 550 E HN 0.618 nan 8.360 nan 0.000 0.413 551 E N -0.044 120.126 120.200 -0.049 0.000 2.179 551 E HA 0.383 4.747 4.350 0.023 0.000 0.275 551 E C -0.357 176.198 176.600 -0.075 0.000 0.945 551 E CA -0.728 55.642 56.400 -0.049 0.000 0.792 551 E CB 2.209 31.887 29.700 -0.038 0.000 1.125 551 E HN 0.014 nan 8.360 nan 0.000 0.397 552 V N 4.950 124.826 119.914 -0.063 0.000 2.421 552 V HA -0.037 4.097 4.120 0.023 0.000 0.271 552 V C 1.201 177.255 176.094 -0.067 0.000 1.031 552 V CA 0.491 62.747 62.300 -0.072 0.000 1.032 552 V CB 0.093 31.888 31.823 -0.046 0.000 1.009 552 V HN 0.717 nan 8.190 nan 0.000 0.477 553 L N 2.746 123.919 121.223 -0.083 0.000 2.270 553 L HA 0.271 4.625 4.340 0.023 0.000 0.210 553 L C 0.618 177.442 176.870 -0.077 0.000 1.104 553 L CA 0.869 55.664 54.840 -0.075 0.000 0.804 553 L CB 0.123 42.130 42.059 -0.086 0.000 0.937 553 L HN 0.650 nan 8.230 nan 0.000 0.450 554 D N -1.032 119.319 120.400 -0.082 0.000 2.685 554 D HA 0.339 4.993 4.640 0.023 0.000 0.236 554 D C -1.391 174.869 176.300 -0.065 0.000 1.233 554 D CA -0.480 53.475 54.000 -0.076 0.000 0.760 554 D CB 1.821 42.560 40.800 -0.101 0.000 1.410 554 D HN -0.204 nan 8.370 nan 0.000 0.439 555 K N 0.577 120.948 120.400 -0.049 0.000 2.523 555 K HA 0.613 4.947 4.320 0.023 0.000 0.257 555 K C -1.068 175.515 176.600 -0.029 0.000 0.932 555 K CA -0.773 55.493 56.287 -0.035 0.000 0.812 555 K CB 2.298 34.786 32.500 -0.020 0.000 1.326 555 K HN 0.483 nan 8.250 nan 0.000 0.433 556 T N -1.489 113.052 114.554 -0.022 0.000 2.887 556 T HA 0.521 4.885 4.350 0.023 0.000 0.288 556 T C 0.277 174.979 174.700 0.003 0.000 1.021 556 T CA -0.759 61.334 62.100 -0.012 0.000 1.000 556 T CB 1.518 70.376 68.868 -0.015 0.000 1.034 556 T HN 0.493 nan 8.240 nan 0.000 0.467 557 S N 1.272 116.975 115.700 0.005 0.000 2.666 557 S HA 0.980 5.464 4.470 0.023 0.000 0.279 557 S C 0.685 175.296 174.600 0.018 0.000 1.149 557 S CA -0.254 57.951 58.200 0.008 0.000 1.020 557 S CB 0.591 63.789 63.200 -0.003 0.000 1.127 557 S HN 1.999 nan 8.310 nan 0.000 0.537 558 G N -0.269 108.530 108.800 -0.002 0.000 2.369 558 G HA2 0.287 4.261 3.960 0.023 0.000 0.293 558 G HA3 0.287 4.261 3.960 0.023 0.000 0.293 558 G C -1.001 173.829 174.900 -0.117 0.000 1.301 558 G CA -0.480 44.603 45.100 -0.029 0.000 0.913 558 G HN 0.597 nan 8.290 nan 0.000 0.540 559 K N -0.485 119.712 120.400 -0.338 0.000 2.444 559 K HA 0.387 4.721 4.320 0.023 0.000 0.193 559 K C 0.616 176.884 176.600 -0.554 0.000 1.024 559 K CA 0.698 56.688 56.287 -0.496 0.000 1.077 559 K CB -0.147 31.976 32.500 -0.628 0.000 0.833 559 K HN 0.298 nan 8.250 nan 0.000 0.517 560 F N -0.106 119.846 119.950 0.003 0.000 2.772 560 F HA 0.427 4.970 4.527 0.027 0.000 0.302 560 F C 1.512 177.315 175.800 0.004 0.000 1.136 560 F CA -0.738 57.267 58.000 0.007 0.000 1.322 560 F CB 0.077 39.079 39.000 0.003 0.000 0.967 560 F HN -0.007 nan 8.300 nan 0.000 0.513 561 A N -0.115 122.770 122.820 0.109 0.000 2.125 561 A HA -0.098 4.236 4.320 0.023 0.000 0.219 561 A C 2.010 179.636 177.584 0.071 0.000 1.156 561 A CA 1.405 53.489 52.037 0.078 0.000 0.671 561 A CB -0.216 18.807 19.000 0.039 0.000 0.794 561 A HN 0.217 nan 8.150 nan 0.000 0.459 562 E N 0.116 120.362 120.200 0.076 0.000 2.474 562 E HA -0.003 4.361 4.350 0.023 0.000 0.194 562 E C 0.910 177.557 176.600 0.079 0.000 1.041 562 E CA 0.187 56.627 56.400 0.067 0.000 0.874 562 E CB -0.156 29.577 29.700 0.054 0.000 0.914 562 E HN 0.974 nan 8.360 nan 0.000 0.498 563 Q N 0.695 120.556 119.800 0.102 0.000 2.249 563 Q HA 0.256 4.610 4.340 0.023 0.000 0.226 563 Q C 0.251 176.288 176.000 0.062 0.000 0.983 563 Q CA -0.694 55.164 55.803 0.092 0.000 0.930 563 Q CB 1.257 30.065 28.738 0.118 0.000 1.193 563 Q HN -0.234 nan 8.270 nan 0.000 0.508 564 K N 0.804 121.237 120.400 0.057 0.000 2.440 564 K HA 0.004 4.338 4.320 0.023 0.000 0.270 564 K C -0.686 175.919 176.600 0.007 0.000 0.980 564 K CA 0.066 56.382 56.287 0.049 0.000 0.953 564 K CB 0.437 32.974 32.500 0.062 0.000 0.925 564 K HN 0.604 nan 8.250 nan 0.000 0.497 565 N N 1.731 120.417 118.700 -0.024 0.000 2.402 565 N HA 0.454 5.208 4.740 0.023 0.000 0.294 565 N C -0.702 174.667 175.510 -0.235 0.000 1.203 565 N CA -0.568 52.365 53.050 -0.195 0.000 0.838 565 N CB 1.196 39.443 38.487 -0.401 0.000 1.306 565 N HN 0.510 nan 8.380 nan 0.000 0.510 566 I N -2.062 118.266 120.570 -0.403 0.000 2.846 566 I HA 0.553 4.737 4.170 0.023 0.000 0.307 566 I C -1.376 174.396 176.117 -0.575 0.000 1.053 566 I CA -0.815 60.250 61.300 -0.392 0.000 1.050 566 I CB 1.214 38.992 38.000 -0.369 0.000 1.239 566 I HN 0.279 nan 8.210 nan 0.000 0.439 567 Y N 1.864 122.052 120.300 -0.186 0.000 2.326 567 Y HA 0.611 5.176 4.550 0.024 0.000 0.331 567 Y C -0.215 175.596 175.900 -0.150 0.000 0.962 567 Y CA -0.449 57.568 58.100 -0.140 0.000 1.167 567 Y CB 1.678 39.973 38.460 -0.274 0.000 1.148 567 Y HN 0.624 nan 8.280 nan 0.000 0.463 568 Q N 2.976 122.802 119.800 0.044 0.000 2.337 568 Q HA 0.267 4.621 4.340 0.023 0.000 0.266 568 Q C -0.636 175.410 176.000 0.076 0.000 1.023 568 Q CA -1.014 54.780 55.803 -0.014 0.000 0.829 568 Q CB 1.661 30.381 28.738 -0.031 0.000 1.306 568 Q HN 0.748 nan 8.270 nan 0.000 0.449 569 Q N 3.221 123.022 119.800 0.001 0.000 2.308 569 Q HA -0.066 4.288 4.340 0.023 0.000 0.313 569 Q C -0.812 175.290 176.000 0.171 0.000 1.075 569 Q CA -0.016 55.830 55.803 0.072 0.000 0.995 569 Q CB 0.430 29.159 28.738 -0.016 0.000 1.107 569 Q HN 0.615 nan 8.270 nan 0.000 0.380 570 L N 6.622 127.953 121.223 0.179 0.000 2.513 570 L HA 0.074 4.428 4.340 0.023 0.000 0.272 570 L C -1.152 175.898 176.870 0.300 0.000 1.187 570 L CA 0.949 55.894 54.840 0.175 0.000 0.895 570 L CB 0.305 42.409 42.059 0.075 0.000 1.147 570 L HN 0.690 nan 8.230 nan 0.000 0.483 571 W N 7.252 128.615 121.300 0.105 0.000 2.362 571 W HA 0.251 4.930 4.660 0.032 0.000 0.286 571 W C -1.289 175.347 176.519 0.195 0.000 1.036 571 W CA -1.048 56.376 57.345 0.132 0.000 1.236 571 W CB 1.143 30.682 29.460 0.132 0.000 1.142 571 W HN 0.451 nan 8.180 nan 0.000 0.317 572 C N 4.214 123.629 119.300 0.191 0.000 2.644 572 C HA 0.293 4.767 4.460 0.023 0.000 0.417 572 C C 1.392 176.521 174.990 0.233 0.000 1.304 572 C CA -0.209 58.906 59.018 0.162 0.000 2.035 572 C CB -0.187 27.572 27.740 0.032 0.000 2.673 572 C HN 0.410 nan 8.230 nan 0.000 0.602 573 L N 5.263 126.647 121.223 0.268 0.000 2.483 573 L HA 0.205 4.559 4.340 0.023 0.000 0.275 573 L C -1.532 175.522 176.870 0.306 0.000 1.220 573 L CA -0.728 54.298 54.840 0.310 0.000 0.833 573 L CB 0.122 42.359 42.059 0.298 0.000 1.102 573 L HN 0.500 nan 8.230 nan 0.000 0.490 574 P HA 0.144 nan 4.420 nan 0.000 0.281 574 P C -1.421 175.914 177.300 0.059 0.000 1.249 574 P CA -0.675 62.502 63.100 0.128 0.000 0.810 574 P CB 1.253 32.995 31.700 0.070 0.000 1.008 575 K N 1.943 122.297 120.400 -0.078 0.000 2.263 575 K HA 0.436 4.770 4.320 0.023 0.000 0.272 575 K C -1.333 175.179 176.600 -0.148 0.000 1.033 575 K CA -0.637 55.453 56.287 -0.329 0.000 0.884 575 K CB 0.566 32.744 32.500 -0.537 0.000 1.107 575 K HN 0.216 nan 8.250 nan 0.000 0.460 576 V N 3.898 123.754 119.914 -0.098 0.000 2.525 576 V HA 0.158 4.292 4.120 0.023 0.000 0.299 576 V C -0.671 175.501 176.094 0.130 0.000 1.034 576 V CA -0.817 61.513 62.300 0.049 0.000 0.863 576 V CB 1.502 33.407 31.823 0.137 0.000 0.999 576 V HN 0.963 nan 8.190 nan 0.000 0.423 577 D N 3.998 124.438 120.400 0.068 0.000 2.708 577 D HA -0.157 4.497 4.640 0.023 0.000 0.236 577 D C 1.293 177.553 176.300 -0.065 0.000 1.146 577 D CA 2.211 56.209 54.000 -0.004 0.000 0.662 577 D CB -1.113 39.669 40.800 -0.030 0.000 1.059 577 D HN 1.515 nan 8.370 nan 0.000 0.428 578 G N -1.296 107.454 108.800 -0.083 0.000 2.195 578 G HA2 -0.339 3.635 3.960 0.023 0.000 0.246 578 G HA3 -0.339 3.635 3.960 0.023 0.000 0.246 578 G C 0.365 175.183 174.900 -0.138 0.000 0.984 578 G CA 0.548 45.584 45.100 -0.107 0.000 0.633 578 G HN 0.521 nan 8.290 nan 0.000 0.525 579 K N -0.653 119.665 120.400 -0.136 0.000 2.426 579 K HA 0.569 4.903 4.320 0.023 0.000 0.251 579 K C -1.006 175.441 176.600 -0.254 0.000 0.941 579 K CA -0.967 55.230 56.287 -0.148 0.000 0.808 579 K CB 1.628 34.124 32.500 -0.006 0.000 1.265 579 K HN 0.083 nan 8.250 nan 0.000 0.432 580 Y N 1.632 121.926 120.300 -0.010 0.000 2.377 580 Y HA 0.237 4.800 4.550 0.021 0.000 0.330 580 Y C 0.241 176.111 175.900 -0.050 0.000 1.108 580 Y CA -0.141 57.950 58.100 -0.015 0.000 1.308 580 Y CB 0.379 38.840 38.460 0.001 0.000 1.216 580 Y HN 0.257 nan 8.280 nan 0.000 0.518 581 I N 3.443 124.031 120.570 0.030 0.000 2.406 581 I HA 0.249 4.433 4.170 0.023 0.000 0.290 581 I C -0.498 175.622 176.117 0.004 0.000 0.999 581 I CA -0.571 60.680 61.300 -0.082 0.000 1.124 581 I CB 1.685 39.490 38.000 -0.325 0.000 1.289 581 I HN 0.546 nan 8.210 nan 0.000 0.441 582 Q N 5.372 125.182 119.800 0.017 0.000 2.274 582 Q HA 0.645 4.999 4.340 0.023 0.000 0.260 582 Q C -1.613 174.398 176.000 0.018 0.000 0.974 582 Q CA -0.745 55.105 55.803 0.077 0.000 0.876 582 Q CB 2.140 30.953 28.738 0.125 0.000 1.297 582 Q HN 0.487 nan 8.270 nan 0.000 0.446 583 V N 3.416 123.358 119.914 0.046 0.000 2.394 583 V HA 0.411 4.545 4.120 0.023 0.000 0.282 583 V C -0.486 175.655 176.094 0.077 0.000 1.031 583 V CA -0.608 61.701 62.300 0.015 0.000 0.881 583 V CB 1.215 33.022 31.823 -0.028 0.000 0.982 583 V HN 0.886 nan 8.190 nan 0.000 0.451 584 C N 3.561 122.849 119.300 -0.019 0.000 2.507 584 C HA 0.868 5.342 4.460 0.023 0.000 0.319 584 C C 0.419 175.295 174.990 -0.189 0.000 1.208 584 C CA -0.581 58.383 59.018 -0.090 0.000 1.619 584 C CB 1.638 29.226 27.740 -0.252 0.000 2.230 584 C HN 0.982 nan 8.230 nan 0.000 0.492 585 T N -0.471 113.992 114.554 -0.152 0.000 2.900 585 T HA 0.759 5.123 4.350 0.023 0.000 0.295 585 T C -0.906 173.587 174.700 -0.344 0.000 1.044 585 T CA -0.396 61.595 62.100 -0.183 0.000 0.995 585 T CB 0.928 69.896 68.868 0.167 0.000 1.072 585 T HN 0.308 nan 8.240 nan 0.000 0.473 586 F N 0.934 120.821 119.950 -0.105 0.000 2.397 586 F HA 0.647 5.165 4.527 -0.014 0.000 0.331 586 F C 1.158 176.926 175.800 -0.053 0.000 1.090 586 F CA -0.608 57.345 58.000 -0.079 0.000 1.065 586 F CB 1.944 40.865 39.000 -0.132 0.000 1.184 586 F HN 0.669 nan 8.300 nan 0.000 0.499 587 T N 2.035 116.741 114.554 0.254 0.000 2.829 587 T HA 0.709 5.072 4.350 0.023 0.000 0.280 587 T C -1.449 173.343 174.700 0.152 0.000 0.999 587 T CA -0.527 61.665 62.100 0.153 0.000 0.983 587 T CB 0.901 69.870 68.868 0.170 0.000 0.968 587 T HN 0.359 nan 8.240 nan 0.000 0.446 588 V N 3.993 123.943 119.914 0.059 0.000 2.462 588 V HA 0.617 4.751 4.120 0.023 0.000 0.288 588 V C 0.962 177.045 176.094 -0.018 0.000 1.020 588 V CA -0.098 62.215 62.300 0.020 0.000 0.857 588 V CB 1.028 32.851 31.823 0.000 0.000 1.013 588 V HN 1.265 nan 8.190 nan 0.000 0.431 589 G N 3.255 112.049 108.800 -0.009 0.000 2.153 589 G HA2 0.067 4.041 3.960 0.023 0.000 0.252 589 G HA3 0.067 4.041 3.960 0.023 0.000 0.252 589 G C 1.160 176.065 174.900 0.008 0.000 0.994 589 G CA 0.761 45.872 45.100 0.018 0.000 0.698 589 G HN 2.337 nan 8.290 nan 0.000 0.521 590 G N -1.740 106.994 108.800 -0.110 0.000 2.176 590 G HA2 -0.229 3.745 3.960 0.023 0.000 0.232 590 G HA3 -0.229 3.745 3.960 0.023 0.000 0.232 590 G C 0.041 174.762 174.900 -0.298 0.000 0.986 590 G CA 0.614 45.458 45.100 -0.426 0.000 0.643 590 G HN 1.213 nan 8.290 nan 0.000 0.522 591 N N -0.876 117.762 118.700 -0.102 0.000 2.380 591 N HA 0.453 5.207 4.740 0.023 0.000 0.290 591 N C -0.586 174.979 175.510 0.091 0.000 1.236 591 N CA -0.726 52.335 53.050 0.018 0.000 0.780 591 N CB 1.112 39.623 38.487 0.041 0.000 1.438 591 N HN 0.166 nan 8.380 nan 0.000 0.491 592 Y N 0.344 120.658 120.300 0.023 0.000 2.810 592 Y HA 0.171 4.696 4.550 -0.040 0.000 0.332 592 Y C 1.249 177.196 175.900 0.079 0.000 1.243 592 Y CA 0.848 58.981 58.100 0.055 0.000 1.537 592 Y CB 0.302 38.789 38.460 0.046 0.000 1.265 592 Y HN 0.683 nan 8.280 nan 0.000 0.572 593 G N 2.668 111.215 108.800 -0.422 0.000 3.342 593 G HA2 0.491 4.465 3.960 0.023 0.000 0.252 593 G HA3 0.491 4.465 3.960 0.023 0.000 0.252 593 G C 0.029 174.687 174.900 -0.403 0.000 1.011 593 G CA 0.205 45.139 45.100 -0.277 0.000 0.869 593 G HN 1.283 nan 8.290 nan 0.000 0.514 594 G N -1.200 107.003 108.800 -0.995 0.000 2.352 594 G HA2 0.440 4.414 3.960 0.023 0.000 0.302 594 G HA3 0.440 4.414 3.960 0.023 0.000 0.302 594 G C -1.341 173.443 174.900 -0.193 0.000 1.370 594 G CA -0.271 44.591 45.100 -0.397 0.000 0.918 594 G HN 0.424 nan 8.290 nan 0.000 0.610 595 T N -0.554 114.056 114.554 0.093 0.000 2.909 595 T HA 0.766 5.130 4.350 0.023 0.000 0.299 595 T C -0.257 174.468 174.700 0.041 0.000 1.073 595 T CA 0.179 62.315 62.100 0.059 0.000 0.999 595 T CB 1.269 70.221 68.868 0.140 0.000 1.098 595 T HN 1.963 nan 8.240 nan 0.000 0.477 596 C N 1.703 120.966 119.300 -0.063 0.000 3.241 596 C HA 0.881 5.355 4.460 0.023 0.000 0.312 596 C C -1.574 173.367 174.990 -0.081 0.000 1.350 596 C CA -1.103 57.889 59.018 -0.044 0.000 1.415 596 C CB -0.128 27.616 27.740 0.006 0.000 1.770 596 C HN 0.895 nan 8.230 nan 0.000 0.466 597 L N 1.810 122.990 121.223 -0.073 0.000 2.334 597 L HA 0.764 5.118 4.340 0.023 0.000 0.273 597 L C 0.023 176.852 176.870 -0.069 0.000 1.013 597 L CA -0.632 54.156 54.840 -0.087 0.000 0.816 597 L CB 1.536 43.522 42.059 -0.121 0.000 1.278 597 L HN 0.701 nan 8.230 nan 0.000 0.431 598 R N 1.018 121.482 120.500 -0.061 0.000 2.628 598 R HA 0.697 5.051 4.340 0.023 0.000 0.288 598 R C -0.677 175.605 176.300 -0.031 0.000 0.980 598 R CA -0.736 55.346 56.100 -0.031 0.000 0.891 598 R CB 2.275 32.566 30.300 -0.015 0.000 1.188 598 R HN 0.820 nan 8.270 nan 0.000 0.450 599 G N 0.715 109.510 108.800 -0.009 0.000 2.571 599 G HA2 0.495 4.469 3.960 0.023 0.000 0.304 599 G HA3 0.495 4.469 3.960 0.023 0.000 0.304 599 G C -1.541 173.387 174.900 0.046 0.000 1.314 599 G CA -0.233 44.871 45.100 0.007 0.000 0.975 599 G HN 0.478 nan 8.290 nan 0.000 0.485 600 D N -0.927 119.527 120.400 0.089 0.000 2.570 600 D HA 0.390 5.044 4.640 0.023 0.000 0.244 600 D C 0.830 177.235 176.300 0.175 0.000 1.178 600 D CA -0.540 53.522 54.000 0.104 0.000 0.881 600 D CB 1.908 42.757 40.800 0.082 0.000 1.453 600 D HN 0.197 nan 8.370 nan 0.000 0.447 601 E N -0.156 120.129 120.200 0.141 0.000 2.371 601 E HA 0.056 4.420 4.350 0.023 0.000 0.194 601 E C 0.562 177.331 176.600 0.282 0.000 1.012 601 E CA 0.273 56.772 56.400 0.165 0.000 0.860 601 E CB -0.049 29.704 29.700 0.089 0.000 0.811 601 E HN 0.339 nan 8.360 nan 0.000 0.502 602 S N -0.436 115.375 115.700 0.184 0.000 2.704 602 S HA 0.386 4.870 4.470 0.023 0.000 0.305 602 S C 0.968 175.406 174.600 -0.269 0.000 1.107 602 S CA -0.779 57.422 58.200 0.002 0.000 0.993 602 S CB 1.292 64.468 63.200 -0.040 0.000 1.110 602 S HN 0.032 nan 8.310 nan 0.000 0.534 603 L N 0.583 121.464 121.223 -0.570 0.000 2.362 603 L HA 0.126 4.480 4.340 0.023 0.000 0.219 603 L C -0.047 176.642 176.870 -0.300 0.000 1.134 603 L CA 0.413 54.866 54.840 -0.645 0.000 0.807 603 L CB -0.201 41.550 42.059 -0.514 0.000 0.927 603 L HN 0.460 nan 8.230 nan 0.000 0.447 604 V N 1.555 121.348 119.914 -0.202 0.000 2.328 604 V HA 0.236 4.370 4.120 0.023 0.000 0.278 604 V C 0.484 176.525 176.094 -0.089 0.000 1.021 604 V CA -0.716 61.494 62.300 -0.150 0.000 0.838 604 V CB 1.678 33.425 31.823 -0.127 0.000 0.999 604 V HN -0.032 nan 8.190 nan 0.000 0.447 605 I N 5.142 125.665 120.570 -0.079 0.000 2.588 605 I HA 0.292 4.476 4.170 0.023 0.000 0.283 605 I C 0.438 176.533 176.117 -0.036 0.000 1.119 605 I CA 0.343 61.623 61.300 -0.034 0.000 1.419 605 I CB 0.553 38.542 38.000 -0.019 0.000 1.394 605 I HN 0.660 nan 8.210 nan 0.000 0.562 606 K N 4.142 124.532 120.400 -0.016 0.000 2.433 606 K HA 0.304 4.638 4.320 0.023 0.000 0.252 606 K C 0.686 177.285 176.600 -0.002 0.000 1.015 606 K CA -0.925 55.355 56.287 -0.011 0.000 0.860 606 K CB 2.097 34.594 32.500 -0.005 0.000 1.359 606 K HN 0.293 nan 8.250 nan 0.000 0.452 607 K N 1.477 121.877 120.400 0.001 0.000 2.173 607 K HA -0.200 4.134 4.320 0.023 0.000 0.207 607 K C 1.053 177.659 176.600 0.009 0.000 1.046 607 K CA 1.986 58.274 56.287 0.001 0.000 0.929 607 K CB 0.235 32.734 32.500 -0.001 0.000 0.720 607 K HN 0.577 nan 8.250 nan 0.000 0.453 608 E N 0.290 120.497 120.200 0.010 0.000 2.489 608 E HA 0.027 4.391 4.350 0.023 0.000 0.193 608 E C -0.129 176.484 176.600 0.022 0.000 1.057 608 E CA -0.003 56.407 56.400 0.016 0.000 0.866 608 E CB 0.205 29.912 29.700 0.012 0.000 0.916 608 E HN 0.007 nan 8.360 nan 0.000 0.500 609 S N 2.067 117.779 115.700 0.020 0.000 2.572 609 S HA 0.088 4.572 4.470 0.023 0.000 0.279 609 S C 0.140 174.758 174.600 0.030 0.000 1.341 609 S CA -0.332 57.883 58.200 0.024 0.000 1.043 609 S CB 0.696 63.907 63.200 0.018 0.000 0.887 609 S HN 0.192 nan 8.310 nan 0.000 0.516 610 D N 0.884 121.304 120.400 0.033 0.000 2.423 610 D HA 0.325 4.979 4.640 0.023 0.000 0.255 610 D C -0.010 176.304 176.300 0.023 0.000 1.174 610 D CA -0.381 53.641 54.000 0.037 0.000 1.008 610 D CB 0.498 41.322 40.800 0.040 0.000 1.101 610 D HN 0.173 nan 8.370 nan 0.000 0.516 611 I N 1.060 121.641 120.570 0.019 0.000 2.385 611 I HA 0.135 4.319 4.170 0.023 0.000 0.294 611 I C 0.413 176.502 176.117 -0.047 0.000 0.988 611 I CA -0.368 60.925 61.300 -0.013 0.000 1.265 611 I CB 0.859 38.853 38.000 -0.010 0.000 1.388 611 I HN 0.089 nan 8.210 nan 0.000 0.480 612 E N 6.885 127.052 120.200 -0.055 0.000 2.171 612 E HA 0.417 4.780 4.350 0.023 0.000 0.271 612 E C -2.418 174.086 176.600 -0.160 0.000 0.916 612 E CA -2.089 54.289 56.400 -0.035 0.000 0.774 612 E CB 1.527 31.309 29.700 0.137 0.000 1.128 612 E HN 0.208 nan 8.360 nan 0.000 0.403 613 P HA 0.017 nan 4.420 nan 0.000 0.264 613 P C -0.650 176.469 177.300 -0.301 0.000 1.193 613 P CA -0.048 62.614 63.100 -0.730 0.000 0.763 613 P CB 0.344 31.023 31.700 -1.701 0.000 0.810 614 L N 5.066 126.145 121.223 -0.240 0.000 2.385 614 L HA 0.614 4.968 4.340 0.023 0.000 0.273 614 L C -1.288 175.503 176.870 -0.133 0.000 0.990 614 L CA -0.351 54.435 54.840 -0.091 0.000 0.821 614 L CB 1.330 43.345 42.059 -0.074 0.000 1.279 614 L HN 0.238 nan 8.230 nan 0.000 0.412 615 I N 4.984 125.504 120.570 -0.085 0.000 2.498 615 I HA 0.414 4.598 4.170 0.023 0.000 0.290 615 I C -0.824 175.155 176.117 -0.230 0.000 1.032 615 I CA -0.956 60.217 61.300 -0.211 0.000 1.073 615 I CB 2.299 40.136 38.000 -0.272 0.000 1.251 615 I HN 0.277 nan 8.210 nan 0.000 0.426 616 V N 7.094 126.704 119.914 -0.507 0.000 2.461 616 V HA 0.316 4.450 4.120 0.023 0.000 0.275 616 V C -0.060 175.853 176.094 -0.302 0.000 1.047 616 V CA -0.412 61.586 62.300 -0.503 0.000 0.955 616 V CB 1.681 32.943 31.823 -0.936 0.000 0.988 616 V HN 0.399 nan 8.190 nan 0.000 0.471 617 V N 6.484 126.359 119.914 -0.065 0.000 2.604 617 V HA 0.597 4.731 4.120 0.023 0.000 0.305 617 V C -0.030 176.126 176.094 0.103 0.000 1.043 617 V CA -0.757 61.580 62.300 0.062 0.000 0.888 617 V CB 2.084 33.953 31.823 0.076 0.000 0.995 617 V HN 0.980 nan 8.190 nan 0.000 0.429 618 K N 0.000 120.486 120.400 0.144 0.000 2.780 618 K HA 0.000 4.334 4.320 0.023 0.000 0.191 618 K CA 0.000 56.365 56.287 0.131 0.000 0.838 618 K CB 0.000 32.594 32.500 0.157 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543