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 1eup_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATVPDLESDS FHVDWYSTYA ELRETAPVTP VRFLGQDAWL VTGYDEAKAA DATA SEQUENCE LSDLRLSSDP KKKYPGVEVE FPAYLGFPED VRNYFATNMG TSDPPTHTRL DATA SEQUENCE RKLVSQEFTV RRVEAMRPRV EQITAELLDE VGDSGVVDIV DRFAHPLPIK DATA SEQUENCE VICELLGVDE AARGAFGRWS SEILVMDPER AEQRGQAARE VVNFILDLVE DATA SEQUENCE RRRTEPGDDL LSALISVQDD DDGRLSADEL TSIALVLLLA GFEASVSLIG DATA SEQUENCE IGTYLLLTHP DQLALVRADP SALPNAVEEI LRYIAPPETT TRFAAEEVEI DATA SEQUENCE GGVAIPQYST VLVANGAANR DPSQFPDPHR FDVTRDTRGH LSFGQGIHFC DATA SEQUENCE MGRPLAKLEG EVALRALFGR FPALSLGIDA DDVVWRRSLL LRGIDHLPVR DATA SEQUENCE LDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 T N 0.328 114.878 114.554 -0.007 0.000 1.803 3 T HA -0.019 4.515 4.350 0.307 0.000 0.613 3 T C 0.140 174.835 174.700 -0.007 0.000 0.923 3 T CA 0.846 62.944 62.100 -0.003 0.000 3.257 3 T CB -1.934 66.937 68.868 0.005 0.000 1.901 3 T HN 2.115 nan 8.240 nan 0.000 0.423 4 V N 2.148 122.050 119.914 -0.021 0.000 2.498 4 V HA 0.730 5.035 4.120 0.307 0.000 0.279 4 V C -1.169 174.923 176.094 -0.004 0.000 1.048 4 V CA -1.957 60.320 62.300 -0.038 0.000 0.967 4 V CB 0.767 32.539 31.823 -0.085 0.000 0.988 4 V HN 0.600 nan 8.190 nan 0.000 0.473 5 P HA 0.232 nan 4.420 nan 0.000 0.271 5 P C -1.032 176.284 177.300 0.026 0.000 1.218 5 P CA 0.135 63.298 63.100 0.106 0.000 0.780 5 P CB 0.902 32.749 31.700 0.246 0.000 0.901 6 D N 1.686 122.136 120.400 0.083 0.000 2.392 6 D HA 0.156 4.980 4.640 0.307 0.000 0.228 6 D C 1.219 177.448 176.300 -0.118 0.000 1.074 6 D CA -0.466 53.539 54.000 0.008 0.000 0.838 6 D CB 0.338 41.179 40.800 0.069 0.000 1.067 6 D HN 0.179 nan 8.370 nan 0.000 0.511 7 L N 2.817 123.784 121.223 -0.426 0.000 2.642 7 L HA -0.026 4.499 4.340 0.307 0.000 0.236 7 L C 1.293 178.042 176.870 -0.203 0.000 1.169 7 L CA 0.840 55.141 54.840 -0.899 0.000 0.851 7 L CB -0.298 41.062 42.059 -1.166 0.000 0.968 7 L HN 0.584 nan 8.230 nan 0.000 0.453 8 E N -0.193 120.081 120.200 0.124 0.000 2.447 8 E HA -0.002 4.532 4.350 0.307 0.000 0.195 8 E C 1.067 177.831 176.600 0.274 0.000 1.028 8 E CA 0.029 56.584 56.400 0.259 0.000 0.876 8 E CB 0.322 30.131 29.700 0.182 0.000 0.885 8 E HN 0.452 nan 8.360 nan 0.000 0.500 9 S N 0.805 116.674 115.700 0.283 0.000 2.589 9 S HA 0.009 4.663 4.470 0.307 0.000 0.265 9 S C 0.452 175.238 174.600 0.310 0.000 1.342 9 S CA -0.504 57.852 58.200 0.260 0.000 1.005 9 S CB 0.957 64.294 63.200 0.228 0.000 0.909 9 S HN -0.108 nan 8.310 nan 0.000 0.555 10 D N 0.857 121.368 120.400 0.185 0.000 2.350 10 D HA 0.003 4.827 4.640 0.307 0.000 0.216 10 D C 1.631 177.960 176.300 0.048 0.000 0.968 10 D CA 1.029 55.124 54.000 0.158 0.000 0.894 10 D CB -0.242 40.612 40.800 0.090 0.000 0.909 10 D HN 0.537 nan 8.370 nan 0.000 0.520 11 S N -0.348 115.309 115.700 -0.072 0.000 2.453 11 S HA -0.054 4.600 4.470 0.307 0.000 0.231 11 S C 0.987 175.230 174.600 -0.595 0.000 1.005 11 S CA 0.433 58.428 58.200 -0.343 0.000 0.949 11 S CB -0.135 62.769 63.200 -0.494 0.000 0.774 11 S HN 0.283 nan 8.310 nan 0.000 0.510 12 F N 0.638 120.406 119.950 -0.303 0.000 2.639 12 F HA 0.310 5.020 4.527 0.305 0.000 0.300 12 F C 1.445 176.659 175.800 -0.977 0.000 1.109 12 F CA -0.017 57.607 58.000 -0.626 0.000 1.335 12 F CB 0.111 38.693 39.000 -0.696 0.000 1.014 12 F HN 0.261 nan 8.300 nan 0.000 0.537 13 H N -2.106 116.950 119.070 -0.023 0.000 3.854 13 H HA 0.353 5.093 4.556 0.306 0.000 0.264 13 H C -0.452 174.997 175.328 0.201 0.000 1.170 13 H CA 0.320 56.318 56.048 -0.084 0.000 1.167 13 H CB 0.858 30.570 29.762 -0.083 0.000 1.558 13 H HN -0.154 nan 8.280 nan 0.000 0.751 14 V N 2.570 122.636 119.914 0.254 0.000 2.380 14 V HA 0.124 4.429 4.120 0.307 0.000 0.286 14 V C 0.151 176.274 176.094 0.048 0.000 1.015 14 V CA -0.667 61.747 62.300 0.190 0.000 0.834 14 V CB 1.743 33.626 31.823 0.100 0.000 1.009 14 V HN 0.311 nan 8.190 nan 0.000 0.428 15 D N 3.318 123.685 120.400 -0.056 0.000 2.772 15 D HA -0.264 4.560 4.640 0.307 0.000 0.233 15 D C 0.868 176.966 176.300 -0.337 0.000 1.143 15 D CA 1.459 55.286 54.000 -0.288 0.000 0.700 15 D CB -0.719 39.974 40.800 -0.178 0.000 1.076 15 D HN 0.856 nan 8.370 nan 0.000 0.430 16 W N -1.196 119.861 121.300 -0.404 0.000 2.331 16 W HA -0.207 4.632 4.660 0.299 0.000 0.291 16 W C 1.565 177.684 176.519 -0.668 0.000 1.214 16 W CA 1.072 58.043 57.345 -0.623 0.000 1.228 16 W CB -1.145 27.882 29.460 -0.722 0.000 1.135 16 W HN 0.178 nan 8.180 nan 0.000 0.537 17 Y N 1.183 121.087 120.300 -0.659 0.000 2.421 17 Y HA -0.156 4.579 4.550 0.308 0.000 0.292 17 Y C 2.942 178.725 175.900 -0.195 0.000 1.136 17 Y CA 1.568 59.470 58.100 -0.331 0.000 1.255 17 Y CB -1.021 37.161 38.460 -0.464 0.000 0.991 17 Y HN 0.195 nan 8.280 nan 0.000 0.552 18 S N -1.102 114.505 115.700 -0.156 0.000 2.387 18 S HA -0.138 4.516 4.470 0.307 0.000 0.226 18 S C 2.072 176.619 174.600 -0.088 0.000 1.026 18 S CA 1.721 59.857 58.200 -0.107 0.000 0.972 18 S CB -0.341 62.767 63.200 -0.154 0.000 0.814 18 S HN 0.471 nan 8.310 nan 0.000 0.477 19 T N 0.945 115.369 114.554 -0.217 0.000 2.867 19 T HA -0.028 4.506 4.350 0.307 0.000 0.268 19 T C 1.328 175.966 174.700 -0.104 0.000 1.057 19 T CA 1.190 63.119 62.100 -0.286 0.000 1.136 19 T CB -0.398 68.092 68.868 -0.631 0.000 0.874 19 T HN 0.434 nan 8.240 nan 0.000 0.466 20 Y N 1.617 121.910 120.300 -0.012 0.000 2.200 20 Y HA 0.104 4.835 4.550 0.303 0.000 0.290 20 Y C 2.746 178.702 175.900 0.092 0.000 1.137 20 Y CA -0.001 58.150 58.100 0.084 0.000 1.163 20 Y CB -1.223 37.339 38.460 0.170 0.000 0.988 20 Y HN 0.203 nan 8.280 nan 0.000 0.518 21 A N -0.244 122.735 122.820 0.265 0.000 1.933 21 A HA -0.235 4.269 4.320 0.307 0.000 0.218 21 A C 2.245 179.901 177.584 0.119 0.000 1.175 21 A CA 1.814 53.962 52.037 0.185 0.000 0.628 21 A CB -0.719 18.398 19.000 0.195 0.000 0.814 21 A HN 0.520 nan 8.150 nan 0.000 0.444 22 E N -0.169 120.082 120.200 0.085 0.000 2.031 22 E HA -0.165 4.370 4.350 0.307 0.000 0.193 22 E C 1.980 178.620 176.600 0.067 0.000 0.994 22 E CA 1.198 57.627 56.400 0.049 0.000 0.800 22 E CB -0.213 29.489 29.700 0.003 0.000 0.752 22 E HN 0.617 nan 8.360 nan 0.000 0.447 23 L N 0.409 121.689 121.223 0.095 0.000 2.017 23 L HA -0.195 4.329 4.340 0.307 0.000 0.208 23 L C 2.962 179.898 176.870 0.110 0.000 1.073 23 L CA 1.445 56.354 54.840 0.116 0.000 0.745 23 L CB -0.495 41.672 42.059 0.181 0.000 0.894 23 L HN 0.178 nan 8.230 nan 0.000 0.432 24 R N 0.286 120.861 120.500 0.124 0.000 2.105 24 R HA -0.233 4.291 4.340 0.307 0.000 0.239 24 R C 2.188 178.534 176.300 0.077 0.000 1.135 24 R CA 1.812 57.972 56.100 0.100 0.000 0.967 24 R CB -0.143 30.221 30.300 0.107 0.000 0.861 24 R HN 0.403 nan 8.270 nan 0.000 0.442 25 E N -0.764 119.480 120.200 0.073 0.000 2.077 25 E HA -0.148 4.387 4.350 0.307 0.000 0.193 25 E C 1.349 177.979 176.600 0.049 0.000 0.989 25 E CA 1.835 58.269 56.400 0.055 0.000 0.800 25 E CB 0.109 29.840 29.700 0.050 0.000 0.746 25 E HN 0.371 nan 8.360 nan 0.000 0.452 26 T N -0.124 114.461 114.554 0.053 0.000 2.732 26 T HA 0.118 4.652 4.350 0.307 0.000 0.261 26 T C 0.384 175.117 174.700 0.054 0.000 1.040 26 T CA 1.056 63.185 62.100 0.048 0.000 1.145 26 T CB 0.195 69.092 68.868 0.047 0.000 0.866 26 T HN 0.246 nan 8.240 nan 0.000 0.427 27 A N 0.815 123.674 122.820 0.066 0.000 2.541 27 A HA 0.587 5.091 4.320 0.307 0.000 0.285 27 A C -2.549 175.084 177.584 0.082 0.000 1.058 27 A CA -1.076 51.005 52.037 0.073 0.000 0.886 27 A CB 1.043 20.093 19.000 0.084 0.000 1.411 27 A HN -0.036 nan 8.150 nan 0.000 0.403 28 P HA -0.063 nan 4.420 nan 0.000 0.220 28 P C 0.118 177.461 177.300 0.071 0.000 1.144 28 P CA 1.351 64.489 63.100 0.064 0.000 0.800 28 P CB 0.209 31.938 31.700 0.047 0.000 0.772 29 V N -0.630 119.341 119.914 0.095 0.000 2.483 29 V HA 0.441 4.746 4.120 0.307 0.000 0.297 29 V C -0.164 176.077 176.094 0.246 0.000 1.027 29 V CA -0.406 61.982 62.300 0.146 0.000 0.855 29 V CB 1.852 33.728 31.823 0.088 0.000 0.995 29 V HN -0.025 nan 8.190 nan 0.000 0.424 30 T N 3.495 118.220 114.554 0.285 0.000 2.889 30 T HA 0.590 5.125 4.350 0.307 0.000 0.315 30 T C -3.268 171.412 174.700 -0.032 0.000 1.291 30 T CA -1.794 60.419 62.100 0.189 0.000 1.028 30 T CB 2.576 71.493 68.868 0.080 0.000 1.235 30 T HN 0.414 nan 8.240 nan 0.000 0.491 31 P HA 0.471 nan 4.420 nan 0.000 0.279 31 P C -0.517 176.546 177.300 -0.394 0.000 1.239 31 P CA -0.397 62.192 63.100 -0.851 0.000 0.789 31 P CB 1.321 32.397 31.700 -1.041 0.000 0.933 32 V N 0.941 120.648 119.914 -0.346 0.000 3.165 32 V HA 0.733 5.038 4.120 0.307 0.000 0.309 32 V C -0.764 175.230 176.094 -0.166 0.000 1.267 32 V CA -1.131 61.045 62.300 -0.207 0.000 1.067 32 V CB 2.491 34.191 31.823 -0.205 0.000 1.082 32 V HN 0.313 nan 8.190 nan 0.000 0.451 33 R N 0.716 121.156 120.500 -0.101 0.000 2.670 33 R HA 0.767 5.291 4.340 0.307 0.000 0.289 33 R C -2.012 174.336 176.300 0.080 0.000 0.965 33 R CA -0.375 55.709 56.100 -0.027 0.000 0.899 33 R CB 1.989 32.276 30.300 -0.022 0.000 1.173 33 R HN 0.839 nan 8.270 nan 0.000 0.456 34 F N 2.840 122.721 119.950 -0.115 0.000 2.639 34 F HA 0.199 4.911 4.527 0.308 0.000 0.326 34 F C -0.506 175.249 175.800 -0.075 0.000 1.150 34 F CA -1.140 56.792 58.000 -0.113 0.000 1.057 34 F CB 0.691 39.609 39.000 -0.137 0.000 1.300 34 F HN 0.406 nan 8.300 nan 0.000 0.486 35 L N 5.483 126.471 121.223 -0.391 0.000 3.843 35 L HA -0.099 4.425 4.340 0.307 0.000 0.411 35 L C 1.206 177.972 176.870 -0.173 0.000 1.205 35 L CA 1.616 56.224 54.840 -0.386 0.000 0.945 35 L CB -1.599 40.111 42.059 -0.581 0.000 1.929 35 L HN 1.462 nan 8.230 nan 0.000 0.934 36 G N -1.690 107.056 108.800 -0.091 0.000 2.162 36 G HA2 -0.294 3.850 3.960 0.307 0.000 0.260 36 G HA3 -0.294 3.850 3.960 0.307 0.000 0.260 36 G C 0.267 175.149 174.900 -0.030 0.000 0.976 36 G CA 0.689 45.759 45.100 -0.049 0.000 0.655 36 G HN 0.918 nan 8.290 nan 0.000 0.533 37 Q N -0.175 119.612 119.800 -0.023 0.000 2.387 37 Q HA 0.681 5.206 4.340 0.307 0.000 0.273 37 Q C -1.476 174.527 176.000 0.004 0.000 1.089 37 Q CA -1.127 54.677 55.803 0.001 0.000 0.824 37 Q CB 2.075 30.823 28.738 0.017 0.000 1.367 37 Q HN 0.122 nan 8.270 nan 0.000 0.443 38 D N 0.542 120.936 120.400 -0.010 0.000 2.304 38 D HA 0.556 5.380 4.640 0.307 0.000 0.250 38 D C -0.983 175.282 176.300 -0.059 0.000 1.107 38 D CA 0.362 54.322 54.000 -0.067 0.000 0.885 38 D CB 1.669 42.416 40.800 -0.088 0.000 1.192 38 D HN 0.672 nan 8.370 nan 0.000 0.436 39 A N 2.502 125.234 122.820 -0.146 0.000 2.583 39 A HA 0.643 5.148 4.320 0.307 0.000 0.289 39 A C -1.986 175.439 177.584 -0.266 0.000 1.151 39 A CA -0.841 51.147 52.037 -0.082 0.000 0.695 39 A CB 1.063 20.069 19.000 0.010 0.000 1.290 39 A HN 0.531 nan 8.150 nan 0.000 0.419 40 W N -0.250 121.018 121.300 -0.052 0.000 2.587 40 W HA 0.640 5.484 4.660 0.306 0.000 0.324 40 W C -0.636 175.840 176.519 -0.072 0.000 1.040 40 W CA -0.240 57.071 57.345 -0.056 0.000 1.222 40 W CB 1.905 31.329 29.460 -0.061 0.000 1.381 40 W HN 0.588 nan 8.180 nan 0.000 0.483 41 L N 3.957 125.254 121.223 0.123 0.000 2.317 41 L HA 0.752 5.276 4.340 0.307 0.000 0.281 41 L C -0.958 175.952 176.870 0.068 0.000 1.024 41 L CA -0.748 54.116 54.840 0.040 0.000 0.810 41 L CB 1.543 43.593 42.059 -0.014 0.000 1.240 41 L HN 0.199 nan 8.230 nan 0.000 0.427 42 V N 4.131 124.054 119.914 0.015 0.000 2.313 42 V HA 0.293 4.597 4.120 0.307 0.000 0.278 42 V C 0.831 176.901 176.094 -0.039 0.000 1.017 42 V CA 0.197 62.499 62.300 0.004 0.000 0.823 42 V CB 0.901 32.715 31.823 -0.016 0.000 1.010 42 V HN 0.960 nan 8.190 nan 0.000 0.443 43 T N 0.521 115.065 114.554 -0.017 0.000 3.022 43 T HA 0.201 4.735 4.350 0.307 0.000 0.250 43 T C 0.944 175.650 174.700 0.010 0.000 1.060 43 T CA 0.413 62.484 62.100 -0.049 0.000 1.013 43 T CB 0.426 69.293 68.868 -0.001 0.000 0.982 43 T HN 0.681 nan 8.240 nan 0.000 0.508 44 G N -0.149 108.669 108.800 0.029 0.000 2.444 44 G HA2 0.421 4.565 3.960 0.307 0.000 0.268 44 G HA3 0.421 4.565 3.960 0.307 0.000 0.268 44 G C 0.050 174.989 174.900 0.066 0.000 1.203 44 G CA -0.702 44.435 45.100 0.062 0.000 0.835 44 G HN 0.209 nan 8.290 nan 0.000 0.543 45 Y N 1.023 121.338 120.300 0.025 0.000 2.070 45 Y HA -0.188 4.545 4.550 0.305 0.000 0.279 45 Y C 2.400 178.309 175.900 0.014 0.000 1.134 45 Y CA 2.421 60.541 58.100 0.034 0.000 1.113 45 Y CB 0.122 38.598 38.460 0.026 0.000 0.981 45 Y HN 0.502 nan 8.280 nan 0.000 0.487 46 D N 0.127 120.567 120.400 0.066 0.000 2.133 46 D HA -0.183 4.642 4.640 0.307 0.000 0.195 46 D C 1.929 178.174 176.300 -0.092 0.000 0.997 46 D CA 1.848 55.840 54.000 -0.015 0.000 0.840 46 D CB -0.260 40.580 40.800 0.067 0.000 0.947 46 D HN 0.481 nan 8.370 nan 0.000 0.452 47 E N 0.622 120.788 120.200 -0.057 0.000 2.110 47 E HA -0.061 4.474 4.350 0.307 0.000 0.193 47 E C 2.021 178.564 176.600 -0.094 0.000 0.988 47 E CA 1.089 57.453 56.400 -0.060 0.000 0.804 47 E CB -0.267 29.416 29.700 -0.028 0.000 0.745 47 E HN 0.256 nan 8.360 nan 0.000 0.458 48 A N 0.890 123.630 122.820 -0.132 0.000 1.873 48 A HA -0.188 4.317 4.320 0.307 0.000 0.215 48 A C 2.012 179.493 177.584 -0.173 0.000 1.186 48 A CA 1.450 53.401 52.037 -0.143 0.000 0.616 48 A CB -0.307 18.603 19.000 -0.151 0.000 0.823 48 A HN 0.056 nan 8.150 nan 0.000 0.442 49 K N -0.468 119.760 120.400 -0.288 0.000 2.057 49 K HA -0.106 4.399 4.320 0.307 0.000 0.207 49 K C 2.314 178.843 176.600 -0.119 0.000 1.049 49 K CA 1.108 57.255 56.287 -0.234 0.000 0.931 49 K CB -0.299 32.003 32.500 -0.330 0.000 0.714 49 K HN 0.434 nan 8.250 nan 0.000 0.440 50 A N 1.251 124.006 122.820 -0.109 0.000 1.883 50 A HA -0.169 4.335 4.320 0.307 0.000 0.217 50 A C 2.324 179.872 177.584 -0.060 0.000 1.186 50 A CA 2.044 54.039 52.037 -0.070 0.000 0.624 50 A CB -0.776 18.185 19.000 -0.066 0.000 0.822 50 A HN 0.396 nan 8.150 nan 0.000 0.444 51 A N -0.235 122.544 122.820 -0.067 0.000 1.883 51 A HA -0.085 4.419 4.320 0.307 0.000 0.217 51 A C 2.132 179.697 177.584 -0.031 0.000 1.186 51 A CA 1.603 53.606 52.037 -0.056 0.000 0.624 51 A CB -0.712 18.250 19.000 -0.062 0.000 0.822 51 A HN 0.488 nan 8.150 nan 0.000 0.444 52 L N -0.211 120.998 121.223 -0.024 0.000 2.265 52 L HA -0.112 4.412 4.340 0.307 0.000 0.215 52 L C 2.335 179.221 176.870 0.027 0.000 1.117 52 L CA 1.191 56.039 54.840 0.014 0.000 0.782 52 L CB -0.210 41.862 42.059 0.022 0.000 0.914 52 L HN 0.309 nan 8.230 nan 0.000 0.441 53 S N -2.018 113.682 115.700 0.001 0.000 2.503 53 S HA -0.012 4.642 4.470 0.307 0.000 0.217 53 S C 0.645 175.245 174.600 -0.001 0.000 0.999 53 S CA -0.017 58.185 58.200 0.003 0.000 0.914 53 S CB -0.038 63.155 63.200 -0.011 0.000 0.782 53 S HN 0.276 nan 8.310 nan 0.000 0.520 54 D N 1.762 122.157 120.400 -0.008 0.000 2.352 54 D HA 0.174 4.999 4.640 0.307 0.000 0.245 54 D C 0.693 176.997 176.300 0.006 0.000 1.224 54 D CA -0.075 53.918 54.000 -0.012 0.000 0.879 54 D CB 0.595 41.374 40.800 -0.035 0.000 1.057 54 D HN 0.165 nan 8.370 nan 0.000 0.491 55 L N 3.517 124.748 121.223 0.014 0.000 2.622 55 L HA 0.005 4.529 4.340 0.307 0.000 0.233 55 L C 2.144 179.041 176.870 0.044 0.000 1.156 55 L CA 0.333 55.196 54.840 0.037 0.000 0.866 55 L CB -0.010 42.069 42.059 0.034 0.000 0.980 55 L HN 0.217 nan 8.230 nan 0.000 0.448 56 R N -0.013 120.496 120.500 0.014 0.000 2.280 56 R HA 0.048 4.572 4.340 0.307 0.000 0.207 56 R C 0.296 176.599 176.300 0.005 0.000 1.043 56 R CA 0.443 56.544 56.100 0.002 0.000 1.006 56 R CB -0.004 30.271 30.300 -0.043 0.000 0.885 56 R HN 0.284 nan 8.270 nan 0.000 0.467 57 L N 1.529 122.763 121.223 0.017 0.000 2.270 57 L HA 0.184 4.708 4.340 0.307 0.000 0.286 57 L C 0.316 177.259 176.870 0.122 0.000 1.059 57 L CA -0.405 54.455 54.840 0.032 0.000 0.839 57 L CB 1.414 43.470 42.059 -0.004 0.000 1.221 57 L HN -0.031 nan 8.230 nan 0.000 0.431 58 S N 1.289 117.118 115.700 0.214 0.000 2.593 58 S HA 0.208 4.862 4.470 0.307 0.000 0.269 58 S C 0.989 175.788 174.600 0.332 0.000 1.334 58 S CA -0.360 58.013 58.200 0.288 0.000 1.015 58 S CB 1.160 64.592 63.200 0.388 0.000 0.912 58 S HN 0.591 nan 8.310 nan 0.000 0.541 59 S N 1.189 117.057 115.700 0.280 0.000 2.603 59 S HA 0.210 4.864 4.470 0.307 0.000 0.232 59 S C -0.582 174.159 174.600 0.234 0.000 1.016 59 S CA -0.417 57.944 58.200 0.268 0.000 0.976 59 S CB 0.133 63.308 63.200 -0.041 0.000 0.921 59 S HN 0.756 nan 8.310 nan 0.000 0.516 60 D N 2.896 123.396 120.400 0.166 0.000 2.396 60 D HA 0.255 5.079 4.640 0.307 0.000 0.225 60 D C -1.642 174.497 176.300 -0.269 0.000 1.121 60 D CA -2.063 51.921 54.000 -0.026 0.000 0.853 60 D CB 1.636 42.459 40.800 0.038 0.000 1.043 60 D HN 0.065 nan 8.370 nan 0.000 0.500 61 P HA -0.010 nan 4.420 nan 0.000 0.236 61 P C 0.604 177.581 177.300 -0.538 0.000 1.177 61 P CA 0.357 62.866 63.100 -0.986 0.000 0.773 61 P CB 0.534 31.419 31.700 -1.359 0.000 0.878 62 K N 0.116 120.294 120.400 -0.370 0.000 2.432 62 K HA 0.052 4.556 4.320 0.307 0.000 0.196 62 K C 0.828 177.292 176.600 -0.226 0.000 1.038 62 K CA 0.330 56.456 56.287 -0.268 0.000 0.986 62 K CB 0.004 32.385 32.500 -0.199 0.000 0.782 62 K HN 0.221 nan 8.250 nan 0.000 0.485 63 K N 2.712 122.981 120.400 -0.218 0.000 2.350 63 K HA 0.015 4.519 4.320 0.307 0.000 0.279 63 K C -0.016 176.361 176.600 -0.372 0.000 1.027 63 K CA 0.006 56.133 56.287 -0.267 0.000 0.969 63 K CB 0.535 32.918 32.500 -0.195 0.000 0.954 63 K HN -0.078 nan 8.250 nan 0.000 0.474 64 K N 3.190 123.312 120.400 -0.463 0.000 2.185 64 K HA 0.251 4.756 4.320 0.307 0.000 0.269 64 K C -1.158 175.103 176.600 -0.565 0.000 0.987 64 K CA -0.361 55.703 56.287 -0.371 0.000 0.865 64 K CB 0.783 33.152 32.500 -0.218 0.000 1.090 64 K HN 0.408 nan 8.250 nan 0.000 0.450 65 Y N 1.056 121.325 120.300 -0.053 0.000 2.499 65 Y HA 0.291 5.026 4.550 0.307 0.000 0.347 65 Y C -2.126 173.712 175.900 -0.103 0.000 0.987 65 Y CA -2.551 55.532 58.100 -0.027 0.000 1.044 65 Y CB 1.922 40.370 38.460 -0.019 0.000 1.245 65 Y HN 0.493 nan 8.280 nan 0.000 0.461 66 P HA 0.044 nan 4.420 nan 0.000 0.250 66 P C 0.523 177.807 177.300 -0.028 0.000 1.161 66 P CA 1.398 64.523 63.100 0.042 0.000 0.863 66 P CB -0.128 31.636 31.700 0.107 0.000 0.827 67 G N 1.985 110.765 108.800 -0.033 0.000 2.221 67 G HA2 -0.187 3.957 3.960 0.307 0.000 0.265 67 G HA3 -0.187 3.957 3.960 0.307 0.000 0.265 67 G C 0.008 174.855 174.900 -0.089 0.000 1.041 67 G CA -0.133 44.941 45.100 -0.043 0.000 0.807 67 G HN 0.502 nan 8.290 nan 0.000 0.502 68 V N -0.505 119.340 119.914 -0.116 0.000 2.735 68 V HA 0.573 4.878 4.120 0.307 0.000 0.310 68 V C -0.058 176.010 176.094 -0.044 0.000 1.061 68 V CA -1.005 61.216 62.300 -0.132 0.000 0.913 68 V CB 2.120 33.754 31.823 -0.316 0.000 1.005 68 V HN 0.308 nan 8.190 nan 0.000 0.428 69 E N 2.570 122.761 120.200 -0.014 0.000 2.101 69 E HA 0.364 4.898 4.350 0.307 0.000 0.260 69 E C -1.078 175.522 176.600 0.001 0.000 0.897 69 E CA -0.482 55.909 56.400 -0.015 0.000 0.744 69 E CB 2.124 31.818 29.700 -0.009 0.000 1.140 69 E HN 0.487 nan 8.360 nan 0.000 0.419 70 V N 3.640 123.515 119.914 -0.065 0.000 2.521 70 V HA 0.020 4.324 4.120 0.307 0.000 0.286 70 V C 0.406 176.490 176.094 -0.017 0.000 1.034 70 V CA 0.300 62.522 62.300 -0.130 0.000 1.045 70 V CB 0.418 32.005 31.823 -0.394 0.000 0.974 70 V HN 0.554 nan 8.190 nan 0.000 0.480 71 E N 4.562 124.849 120.200 0.145 0.000 2.325 71 E HA 0.361 4.896 4.350 0.307 0.000 0.248 71 E C -1.223 175.602 176.600 0.375 0.000 0.912 71 E CA -0.495 56.014 56.400 0.182 0.000 0.782 71 E CB 1.528 31.290 29.700 0.104 0.000 1.264 71 E HN 0.433 nan 8.360 nan 0.000 0.417 72 F N 2.575 122.581 119.950 0.092 0.000 2.420 72 F HA 0.266 4.977 4.527 0.307 0.000 0.352 72 F C -1.136 174.702 175.800 0.062 0.000 1.108 72 F CA -2.465 55.624 58.000 0.147 0.000 1.162 72 F CB 0.660 39.835 39.000 0.293 0.000 1.118 72 F HN 0.229 nan 8.300 nan 0.000 0.510 73 P HA -0.252 nan 4.420 nan 0.000 0.217 73 P C 1.405 178.598 177.300 -0.177 0.000 1.151 73 P CA 2.310 65.376 63.100 -0.058 0.000 0.849 73 P CB 0.167 31.872 31.700 0.008 0.000 0.787 74 A N -1.815 120.862 122.820 -0.238 0.000 2.084 74 A HA -0.198 4.306 4.320 0.307 0.000 0.221 74 A C 1.123 178.103 177.584 -1.005 0.000 1.161 74 A CA 1.364 53.069 52.037 -0.554 0.000 0.653 74 A CB -1.678 16.940 19.000 -0.637 0.000 0.802 74 A HN 0.295 nan 8.150 nan 0.000 0.457 75 Y N -1.248 118.741 120.300 -0.517 0.000 2.683 75 Y HA 0.390 5.125 4.550 0.309 0.000 0.297 75 Y C 0.342 175.854 175.900 -0.647 0.000 1.147 75 Y CA -1.050 56.495 58.100 -0.924 0.000 1.274 75 Y CB -0.140 38.011 38.460 -0.515 0.000 1.143 75 Y HN 0.201 nan 8.280 nan 0.000 0.527 76 L N 1.256 122.239 121.223 -0.400 0.000 2.597 76 L HA 0.319 4.843 4.340 0.307 0.000 0.271 76 L C 1.192 178.046 176.870 -0.027 0.000 1.157 76 L CA 0.964 55.697 54.840 -0.177 0.000 0.928 76 L CB -0.147 41.806 42.059 -0.176 0.000 1.216 76 L HN 0.564 nan 8.230 nan 0.000 0.481 77 G N 3.102 111.931 108.800 0.048 0.000 2.179 77 G HA2 -0.291 3.854 3.960 0.307 0.000 0.260 77 G HA3 -0.291 3.854 3.960 0.307 0.000 0.260 77 G C 0.160 175.222 174.900 0.270 0.000 0.977 77 G CA 0.005 45.184 45.100 0.132 0.000 0.641 77 G HN 0.434 nan 8.290 nan 0.000 0.533 78 F N 1.897 121.823 119.950 -0.040 0.000 2.467 78 F HA 0.483 5.193 4.527 0.306 0.000 0.362 78 F C -1.288 174.491 175.800 -0.035 0.000 1.090 78 F CA -2.841 55.128 58.000 -0.051 0.000 1.202 78 F CB 0.554 39.525 39.000 -0.049 0.000 1.113 78 F HN -0.116 nan 8.300 nan 0.000 0.541 79 P HA 0.075 nan 4.420 nan 0.000 0.272 79 P C 0.911 178.241 177.300 0.051 0.000 1.223 79 P CA -0.233 62.898 63.100 0.051 0.000 0.784 79 P CB 0.705 32.413 31.700 0.014 0.000 0.923 80 E N 1.641 121.847 120.200 0.009 0.000 2.085 80 E HA -0.278 4.257 4.350 0.307 0.000 0.194 80 E C 1.267 177.844 176.600 -0.038 0.000 0.994 80 E CA 1.568 57.952 56.400 -0.026 0.000 0.801 80 E CB -0.093 29.574 29.700 -0.054 0.000 0.743 80 E HN 0.556 nan 8.360 nan 0.000 0.453 81 D N -0.147 120.234 120.400 -0.032 0.000 2.178 81 D HA -0.140 4.685 4.640 0.307 0.000 0.201 81 D C 1.990 178.292 176.300 0.002 0.000 0.980 81 D CA 0.861 54.824 54.000 -0.062 0.000 0.842 81 D CB -0.229 40.551 40.800 -0.034 0.000 0.948 81 D HN 0.191 nan 8.370 nan 0.000 0.472 82 V N 0.921 120.890 119.914 0.091 0.000 2.407 82 V HA -0.145 4.159 4.120 0.307 0.000 0.245 82 V C 2.864 179.144 176.094 0.311 0.000 1.041 82 V CA 1.320 63.744 62.300 0.207 0.000 1.040 82 V CB -0.656 31.188 31.823 0.035 0.000 0.671 82 V HN 0.185 nan 8.190 nan 0.000 0.455 83 R N 0.682 121.305 120.500 0.206 0.000 2.083 83 R HA -0.213 4.311 4.340 0.307 0.000 0.237 83 R C 2.014 178.376 176.300 0.103 0.000 1.137 83 R CA 2.411 58.620 56.100 0.183 0.000 0.951 83 R CB -0.434 29.835 30.300 -0.052 0.000 0.851 83 R HN 0.637 nan 8.270 nan 0.000 0.434 84 N N -1.014 117.680 118.700 -0.010 0.000 2.381 84 N HA -0.169 4.755 4.740 0.307 0.000 0.182 84 N C 1.155 176.673 175.510 0.012 0.000 1.025 84 N CA 0.732 53.735 53.050 -0.077 0.000 0.888 84 N CB -0.033 38.340 38.487 -0.188 0.000 0.965 84 N HN 0.231 nan 8.380 nan 0.000 0.438 85 Y N -0.386 119.995 120.300 0.135 0.000 2.337 85 Y HA 0.006 4.740 4.550 0.307 0.000 0.293 85 Y C 1.448 177.426 175.900 0.131 0.000 1.123 85 Y CA 0.646 58.809 58.100 0.104 0.000 1.201 85 Y CB -0.276 38.232 38.460 0.081 0.000 1.011 85 Y HN 0.047 nan 8.280 nan 0.000 0.545 86 F N -1.430 118.685 119.950 0.275 0.000 2.416 86 F HA 0.111 4.821 4.527 0.306 0.000 0.296 86 F C 1.981 177.927 175.800 0.243 0.000 1.099 86 F CA 0.661 58.838 58.000 0.295 0.000 1.427 86 F CB 0.038 39.335 39.000 0.495 0.000 1.079 86 F HN -0.082 nan 8.300 nan 0.000 0.536 87 A N -0.712 122.296 122.820 0.313 0.000 2.708 87 A HA 0.297 4.802 4.320 0.307 0.000 0.293 87 A C 0.324 177.948 177.584 0.066 0.000 1.303 87 A CA 0.049 52.167 52.037 0.134 0.000 0.949 87 A CB -0.730 18.204 19.000 -0.110 0.000 1.121 87 A HN 0.065 nan 8.150 nan 0.000 0.542 88 T N 1.939 116.551 114.554 0.096 0.000 3.514 88 T HA 0.279 4.814 4.350 0.307 0.000 0.259 88 T C -0.238 174.514 174.700 0.086 0.000 1.466 88 T CA -0.656 61.484 62.100 0.067 0.000 1.562 88 T CB -0.679 68.215 68.868 0.044 0.000 0.924 88 T HN 0.768 nan 8.240 nan 0.000 0.678 89 N N -0.185 118.580 118.700 0.108 0.000 2.972 89 N HA 0.349 5.273 4.740 0.307 0.000 0.262 89 N C 0.506 176.116 175.510 0.165 0.000 1.478 89 N CA -0.904 52.215 53.050 0.116 0.000 0.841 89 N CB 0.824 39.376 38.487 0.110 0.000 1.512 89 N HN -0.191 nan 8.380 nan 0.000 0.548 90 M N 1.010 120.717 119.600 0.178 0.000 2.226 90 M HA -0.106 4.559 4.480 0.307 0.000 0.257 90 M C 2.236 178.809 176.300 0.456 0.000 1.070 90 M CA 2.750 58.227 55.300 0.296 0.000 1.087 90 M CB -1.241 31.503 32.600 0.239 0.000 1.278 90 M HN 0.876 nan 8.290 nan 0.000 0.426 91 G N -1.596 107.387 108.800 0.304 0.000 2.586 91 G HA2 -0.098 4.047 3.960 0.307 0.000 0.215 91 G HA3 -0.098 4.047 3.960 0.307 0.000 0.215 91 G C 0.983 175.925 174.900 0.071 0.000 1.128 91 G CA 1.348 46.547 45.100 0.166 0.000 0.774 91 G HN 0.603 nan 8.290 nan 0.000 0.543 92 T N -2.547 112.098 114.554 0.152 0.000 3.252 92 T HA 0.540 5.074 4.350 0.307 0.000 0.286 92 T C 0.209 174.979 174.700 0.117 0.000 1.013 92 T CA -0.380 61.789 62.100 0.115 0.000 0.914 92 T CB 0.774 69.713 68.868 0.118 0.000 1.131 92 T HN -0.000 nan 8.240 nan 0.000 0.529 93 S N 1.248 117.075 115.700 0.212 0.000 2.569 93 S HA 0.627 5.282 4.470 0.307 0.000 0.280 93 S C -1.323 173.459 174.600 0.303 0.000 1.111 93 S CA -0.922 57.415 58.200 0.229 0.000 0.887 93 S CB 1.910 65.254 63.200 0.240 0.000 1.095 93 S HN 0.302 nan 8.310 nan 0.000 0.476 94 D N 1.487 122.020 120.400 0.221 0.000 2.326 94 D HA 0.477 5.301 4.640 0.307 0.000 0.248 94 D C -2.639 173.767 176.300 0.177 0.000 1.001 94 D CA -1.715 52.400 54.000 0.193 0.000 0.961 94 D CB 1.007 41.904 40.800 0.162 0.000 1.183 94 D HN 0.115 nan 8.370 nan 0.000 0.502 95 P HA 0.110 nan 4.420 nan 0.000 0.269 95 P C -1.835 175.523 177.300 0.098 0.000 1.215 95 P CA -0.649 62.528 63.100 0.129 0.000 0.780 95 P CB 0.164 31.918 31.700 0.090 0.000 0.898 96 P HA 0.006 nan 4.420 nan 0.000 0.240 96 P C 1.032 178.380 177.300 0.080 0.000 1.190 96 P CA 0.866 64.010 63.100 0.075 0.000 0.781 96 P CB -0.057 31.672 31.700 0.049 0.000 0.931 97 T N -0.977 113.632 114.554 0.092 0.000 2.708 97 T HA -0.206 4.328 4.350 0.307 0.000 0.266 97 T C 1.695 176.458 174.700 0.105 0.000 1.037 97 T CA 1.765 63.916 62.100 0.085 0.000 1.146 97 T CB -0.878 68.040 68.868 0.083 0.000 0.865 97 T HN 0.306 nan 8.240 nan 0.000 0.435 98 H N 1.270 120.383 119.070 0.071 0.000 2.319 98 H HA -0.119 4.621 4.556 0.307 0.000 0.297 98 H C 2.161 177.516 175.328 0.045 0.000 1.097 98 H CA 2.277 58.373 56.048 0.080 0.000 1.285 98 H CB -0.667 29.145 29.762 0.082 0.000 1.368 98 H HN 0.224 nan 8.280 nan 0.000 0.495 99 T N 1.099 115.665 114.554 0.021 0.000 2.624 99 T HA -0.284 4.251 4.350 0.307 0.000 0.268 99 T C 1.982 176.638 174.700 -0.074 0.000 1.041 99 T CA 2.261 64.339 62.100 -0.036 0.000 1.159 99 T CB -0.301 68.594 68.868 0.044 0.000 0.863 99 T HN 0.641 nan 8.240 nan 0.000 0.434 100 R N 1.196 121.676 120.500 -0.033 0.000 2.119 100 R HA 0.162 4.687 4.340 0.307 0.000 0.222 100 R C 2.389 178.667 176.300 -0.038 0.000 1.088 100 R CA 0.876 56.961 56.100 -0.025 0.000 0.984 100 R CB -0.751 29.548 30.300 -0.002 0.000 0.884 100 R HN 0.303 nan 8.270 nan 0.000 0.447 101 L N 0.696 121.888 121.223 -0.051 0.000 2.056 101 L HA -0.035 4.490 4.340 0.307 0.000 0.207 101 L C 3.002 179.833 176.870 -0.065 0.000 1.078 101 L CA 1.475 56.292 54.840 -0.038 0.000 0.749 101 L CB -0.400 41.653 42.059 -0.010 0.000 0.901 101 L HN 0.247 nan 8.230 nan 0.000 0.433 102 R N 0.339 120.738 120.500 -0.169 0.000 2.115 102 R HA -0.136 4.388 4.340 0.307 0.000 0.226 102 R C 2.277 178.544 176.300 -0.056 0.000 1.100 102 R CA 1.094 57.108 56.100 -0.143 0.000 0.980 102 R CB 0.099 30.213 30.300 -0.310 0.000 0.875 102 R HN 0.232 nan 8.270 nan 0.000 0.445 103 K N -0.113 120.253 120.400 -0.056 0.000 2.057 103 K HA -0.101 4.403 4.320 0.307 0.000 0.206 103 K C 1.858 178.458 176.600 0.001 0.000 1.050 103 K CA 0.901 57.176 56.287 -0.020 0.000 0.935 103 K CB 0.017 32.506 32.500 -0.019 0.000 0.715 103 K HN 0.068 nan 8.250 nan 0.000 0.439 104 L N 0.381 121.605 121.223 0.001 0.000 2.093 104 L HA -0.138 4.386 4.340 0.307 0.000 0.208 104 L C 2.078 178.967 176.870 0.031 0.000 1.085 104 L CA 1.309 56.157 54.840 0.014 0.000 0.755 104 L CB -0.418 41.647 42.059 0.010 0.000 0.904 104 L HN -0.054 nan 8.230 nan 0.000 0.435 105 V N -1.788 118.151 119.914 0.042 0.000 2.379 105 V HA -0.186 4.119 4.120 0.307 0.000 0.245 105 V C 2.373 178.543 176.094 0.126 0.000 1.044 105 V CA 1.567 63.917 62.300 0.083 0.000 1.036 105 V CB -0.581 31.302 31.823 0.100 0.000 0.664 105 V HN 0.382 nan 8.190 nan 0.000 0.453 106 S N -0.462 115.292 115.700 0.090 0.000 2.440 106 S HA -0.253 4.401 4.470 0.307 0.000 0.238 106 S C 1.940 176.576 174.600 0.061 0.000 1.010 106 S CA 1.236 59.480 58.200 0.073 0.000 0.972 106 S CB -0.307 62.911 63.200 0.029 0.000 0.774 106 S HN 0.655 nan 8.310 nan 0.000 0.501 107 Q N 0.039 119.871 119.800 0.054 0.000 2.167 107 Q HA -0.075 4.449 4.340 0.307 0.000 0.202 107 Q C 1.810 177.846 176.000 0.060 0.000 0.970 107 Q CA 0.871 56.700 55.803 0.043 0.000 0.855 107 Q CB 0.077 28.834 28.738 0.032 0.000 0.911 107 Q HN 0.451 nan 8.270 nan 0.000 0.438 108 E N -0.525 119.728 120.200 0.089 0.000 2.228 108 E HA 0.010 4.544 4.350 0.307 0.000 0.197 108 E C 0.008 176.724 176.600 0.193 0.000 0.909 108 E CA 0.036 56.499 56.400 0.106 0.000 0.911 108 E CB 0.084 29.831 29.700 0.077 0.000 0.887 108 E HN 0.095 nan 8.360 nan 0.000 0.481 109 F N 4.206 124.164 119.950 0.014 0.000 2.600 109 F HA 0.130 4.840 4.527 0.305 0.000 0.345 109 F C 0.241 176.052 175.800 0.019 0.000 1.271 109 F CA -0.423 57.588 58.000 0.019 0.000 1.138 109 F CB -0.776 38.237 39.000 0.022 0.000 1.449 109 F HN -0.215 nan 8.300 nan 0.000 0.645 110 T N 0.360 114.968 114.554 0.091 0.000 2.940 110 T HA 0.437 4.971 4.350 0.307 0.000 0.288 110 T C 1.045 175.702 174.700 -0.072 0.000 1.045 110 T CA -0.688 61.390 62.100 -0.036 0.000 1.018 110 T CB 1.462 70.338 68.868 0.014 0.000 1.151 110 T HN 0.010 nan 8.240 nan 0.000 0.529 111 V N 0.898 120.766 119.914 -0.077 0.000 2.407 111 V HA -0.085 4.219 4.120 0.307 0.000 0.248 111 V C 2.988 179.074 176.094 -0.013 0.000 1.055 111 V CA 1.962 64.226 62.300 -0.060 0.000 1.049 111 V CB -0.983 30.809 31.823 -0.051 0.000 0.662 111 V HN 0.912 nan 8.190 nan 0.000 0.455 112 R N 0.305 120.806 120.500 0.002 0.000 2.083 112 R HA -0.207 4.318 4.340 0.307 0.000 0.237 112 R C 2.549 178.871 176.300 0.036 0.000 1.137 112 R CA 2.049 58.160 56.100 0.018 0.000 0.951 112 R CB -0.317 29.994 30.300 0.020 0.000 0.851 112 R HN 0.409 nan 8.270 nan 0.000 0.434 113 R N 0.145 120.678 120.500 0.055 0.000 2.120 113 R HA -0.088 4.436 4.340 0.307 0.000 0.234 113 R C 2.014 178.371 176.300 0.095 0.000 1.123 113 R CA 1.407 57.557 56.100 0.084 0.000 0.975 113 R CB -0.030 30.348 30.300 0.129 0.000 0.866 113 R HN 0.160 nan 8.270 nan 0.000 0.446 114 V N 1.039 121.004 119.914 0.086 0.000 2.323 114 V HA -0.153 4.151 4.120 0.307 0.000 0.244 114 V C 2.250 178.379 176.094 0.059 0.000 1.041 114 V CA 1.584 63.935 62.300 0.085 0.000 1.025 114 V CB -0.333 31.514 31.823 0.041 0.000 0.656 114 V HN 0.297 nan 8.190 nan 0.000 0.451 115 E N 0.493 120.716 120.200 0.039 0.000 2.118 115 E HA -0.178 4.356 4.350 0.307 0.000 0.195 115 E C 2.264 178.887 176.600 0.039 0.000 0.992 115 E CA 1.476 57.897 56.400 0.034 0.000 0.804 115 E CB -0.462 29.253 29.700 0.024 0.000 0.741 115 E HN 0.552 nan 8.360 nan 0.000 0.458 116 A N 0.110 122.955 122.820 0.041 0.000 2.172 116 A HA -0.070 4.434 4.320 0.307 0.000 0.216 116 A C 2.034 179.644 177.584 0.043 0.000 1.154 116 A CA 0.846 52.907 52.037 0.040 0.000 0.701 116 A CB -0.321 18.703 19.000 0.039 0.000 0.789 116 A HN 0.164 nan 8.150 nan 0.000 0.465 117 M N -1.657 117.974 119.600 0.052 0.000 2.502 117 M HA 0.062 4.726 4.480 0.307 0.000 0.243 117 M C 2.038 178.369 176.300 0.051 0.000 1.130 117 M CA 0.232 55.564 55.300 0.054 0.000 1.055 117 M CB -0.120 32.520 32.600 0.067 0.000 1.457 117 M HN 0.557 nan 8.290 nan 0.000 0.488 118 R N 1.505 122.035 120.500 0.049 0.000 2.103 118 R HA -0.161 4.364 4.340 0.307 0.000 0.242 118 R C -1.033 175.295 176.300 0.047 0.000 1.142 118 R CA 1.812 57.941 56.100 0.049 0.000 0.960 118 R CB -1.115 29.213 30.300 0.046 0.000 0.858 118 R HN 0.165 nan 8.270 nan 0.000 0.439 119 P HA -0.122 nan 4.420 nan 0.000 0.217 119 P C 0.719 178.043 177.300 0.040 0.000 1.150 119 P CA 1.207 64.330 63.100 0.038 0.000 0.832 119 P CB -0.039 31.680 31.700 0.033 0.000 0.787 120 R N -0.025 120.499 120.500 0.040 0.000 2.090 120 R HA -0.056 4.468 4.340 0.307 0.000 0.228 120 R C 2.070 178.396 176.300 0.043 0.000 1.110 120 R CA 1.074 57.197 56.100 0.039 0.000 0.973 120 R CB -1.630 28.692 30.300 0.036 0.000 0.869 120 R HN 0.059 nan 8.270 nan 0.000 0.440 121 V N 0.221 120.163 119.914 0.047 0.000 2.548 121 V HA -0.128 4.177 4.120 0.307 0.000 0.249 121 V C 1.489 177.619 176.094 0.060 0.000 1.055 121 V CA 1.918 64.248 62.300 0.050 0.000 1.065 121 V CB -0.187 31.668 31.823 0.053 0.000 0.681 121 V HN 0.422 nan 8.190 nan 0.000 0.462 122 E N -0.438 119.799 120.200 0.062 0.000 2.072 122 E HA -0.266 4.269 4.350 0.307 0.000 0.191 122 E C 2.227 178.868 176.600 0.070 0.000 0.985 122 E CA 1.550 57.992 56.400 0.070 0.000 0.801 122 E CB -0.140 29.596 29.700 0.060 0.000 0.750 122 E HN 0.744 nan 8.360 nan 0.000 0.452 123 Q N 0.667 120.501 119.800 0.056 0.000 2.050 123 Q HA -0.176 4.348 4.340 0.307 0.000 0.202 123 Q C 2.187 178.223 176.000 0.060 0.000 0.980 123 Q CA 1.209 57.043 55.803 0.051 0.000 0.840 123 Q CB -0.006 28.756 28.738 0.040 0.000 0.898 123 Q HN 0.302 nan 8.270 nan 0.000 0.424 124 I N 0.244 120.849 120.570 0.058 0.000 2.286 124 I HA -0.257 4.097 4.170 0.307 0.000 0.248 124 I C 2.166 178.342 176.117 0.099 0.000 1.115 124 I CA 1.324 62.660 61.300 0.060 0.000 1.392 124 I CB -0.356 37.666 38.000 0.038 0.000 1.065 124 I HN 0.253 nan 8.210 nan 0.000 0.418 125 T N 0.835 115.461 114.554 0.121 0.000 2.746 125 T HA -0.147 4.387 4.350 0.307 0.000 0.267 125 T C 2.086 176.928 174.700 0.236 0.000 1.039 125 T CA 1.465 63.703 62.100 0.229 0.000 1.142 125 T CB -0.295 68.705 68.868 0.220 0.000 0.866 125 T HN 0.478 nan 8.240 nan 0.000 0.444 126 A N 1.532 124.435 122.820 0.138 0.000 1.902 126 A HA -0.139 4.365 4.320 0.307 0.000 0.217 126 A C 2.208 179.843 177.584 0.086 0.000 1.181 126 A CA 1.673 53.765 52.037 0.092 0.000 0.623 126 A CB -0.544 18.491 19.000 0.058 0.000 0.818 126 A HN 0.568 nan 8.150 nan 0.000 0.443 127 E N -0.125 120.127 120.200 0.087 0.000 2.031 127 E HA -0.157 4.377 4.350 0.307 0.000 0.193 127 E C 1.976 178.634 176.600 0.096 0.000 0.994 127 E CA 1.271 57.715 56.400 0.074 0.000 0.800 127 E CB -0.340 29.396 29.700 0.060 0.000 0.752 127 E HN 0.608 nan 8.360 nan 0.000 0.447 128 L N 0.730 122.040 121.223 0.144 0.000 2.081 128 L HA -0.235 4.290 4.340 0.307 0.000 0.212 128 L C 2.461 179.431 176.870 0.166 0.000 1.080 128 L CA 0.981 55.935 54.840 0.191 0.000 0.754 128 L CB -0.389 41.867 42.059 0.328 0.000 0.893 128 L HN 0.195 nan 8.230 nan 0.000 0.433 129 L N -0.827 120.481 121.223 0.142 0.000 2.217 129 L HA -0.163 4.362 4.340 0.307 0.000 0.211 129 L C 2.064 178.983 176.870 0.083 0.000 1.107 129 L CA 0.676 55.554 54.840 0.064 0.000 0.783 129 L CB -0.494 41.574 42.059 0.016 0.000 0.919 129 L HN 0.248 nan 8.230 nan 0.000 0.442 130 D N -0.125 120.313 120.400 0.064 0.000 2.178 130 D HA -0.146 4.678 4.640 0.307 0.000 0.202 130 D C 2.117 178.449 176.300 0.052 0.000 0.974 130 D CA 0.878 54.906 54.000 0.046 0.000 0.841 130 D CB 0.054 40.874 40.800 0.034 0.000 0.953 130 D HN 0.239 nan 8.370 nan 0.000 0.478 131 E N 0.416 120.650 120.200 0.057 0.000 2.208 131 E HA -0.080 4.455 4.350 0.307 0.000 0.193 131 E C 2.386 179.010 176.600 0.039 0.000 0.988 131 E CA 0.319 56.747 56.400 0.046 0.000 0.828 131 E CB -0.299 29.430 29.700 0.048 0.000 0.763 131 E HN 0.350 nan 8.360 nan 0.000 0.478 132 V N -2.282 117.658 119.914 0.043 0.000 2.970 132 V HA 0.170 4.474 4.120 0.307 0.000 0.260 132 V C 1.274 177.379 176.094 0.018 0.000 1.100 132 V CA 1.123 63.428 62.300 0.008 0.000 1.122 132 V CB -0.869 30.921 31.823 -0.056 0.000 0.721 132 V HN 0.258 nan 8.190 nan 0.000 0.483 133 G N 1.709 110.548 108.800 0.065 0.000 2.513 133 G HA2 -0.165 3.979 3.960 0.307 0.000 0.227 133 G HA3 -0.165 3.979 3.960 0.307 0.000 0.227 133 G C -0.123 174.868 174.900 0.152 0.000 1.176 133 G CA 0.704 45.846 45.100 0.071 0.000 0.967 133 G HN 1.248 nan 8.290 nan 0.000 0.587 134 D N -1.401 119.083 120.400 0.139 0.000 2.672 134 D HA 0.452 5.277 4.640 0.307 0.000 0.321 134 D C 0.089 176.476 176.300 0.145 0.000 1.496 134 D CA 0.836 54.981 54.000 0.241 0.000 0.901 134 D CB -0.084 40.802 40.800 0.143 0.000 1.441 134 D HN 0.865 nan 8.370 nan 0.000 0.423 135 S N -0.503 115.231 115.700 0.057 0.000 2.537 135 S HA 0.817 5.471 4.470 0.307 0.000 0.271 135 S C 0.089 174.677 174.600 -0.020 0.000 1.148 135 S CA -0.270 57.941 58.200 0.019 0.000 0.868 135 S CB 2.023 65.237 63.200 0.023 0.000 1.115 135 S HN 0.881 nan 8.310 nan 0.000 0.461 136 G N 0.370 109.152 108.800 -0.031 0.000 2.660 136 G HA2 -0.005 4.140 3.960 0.307 0.000 0.247 136 G HA3 -0.005 4.140 3.960 0.307 0.000 0.247 136 G C -1.313 173.544 174.900 -0.071 0.000 1.328 136 G CA -0.488 44.587 45.100 -0.041 0.000 0.884 136 G HN 1.147 nan 8.290 nan 0.000 0.531 137 V N 0.507 120.384 119.914 -0.061 0.000 2.427 137 V HA 0.720 5.024 4.120 0.307 0.000 0.286 137 V C 0.791 176.840 176.094 -0.075 0.000 1.034 137 V CA 0.191 62.447 62.300 -0.073 0.000 0.893 137 V CB 0.978 32.773 31.823 -0.046 0.000 0.982 137 V HN 1.807 nan 8.190 nan 0.000 0.452 138 V N 0.640 120.492 119.914 -0.104 0.000 2.971 138 V HA 0.629 4.933 4.120 0.307 0.000 0.309 138 V C -0.829 175.209 176.094 -0.093 0.000 1.130 138 V CA -0.949 61.299 62.300 -0.087 0.000 0.964 138 V CB 2.160 33.914 31.823 -0.115 0.000 1.029 138 V HN 0.724 nan 8.190 nan 0.000 0.427 139 D N 2.115 122.487 120.400 -0.047 0.000 2.374 139 D HA 0.227 5.052 4.640 0.307 0.000 0.240 139 D C 0.737 177.015 176.300 -0.036 0.000 1.229 139 D CA -0.195 53.769 54.000 -0.060 0.000 0.895 139 D CB 1.143 41.984 40.800 0.069 0.000 1.046 139 D HN 0.598 nan 8.370 nan 0.000 0.498 140 I N 4.208 124.740 120.570 -0.063 0.000 2.700 140 I HA -0.215 4.139 4.170 0.307 0.000 0.261 140 I C 1.729 177.908 176.117 0.103 0.000 1.219 140 I CA 0.907 62.209 61.300 0.002 0.000 1.463 140 I CB 0.268 38.247 38.000 -0.034 0.000 1.092 140 I HN 0.375 nan 8.210 nan 0.000 0.452 141 V N -0.176 119.771 119.914 0.055 0.000 2.302 141 V HA -0.225 4.079 4.120 0.307 0.000 0.243 141 V C 2.149 178.308 176.094 0.108 0.000 1.036 141 V CA 2.026 64.377 62.300 0.086 0.000 1.020 141 V CB -0.754 31.092 31.823 0.038 0.000 0.657 141 V HN 0.403 nan 8.190 nan 0.000 0.453 142 D N -0.175 120.262 120.400 0.062 0.000 2.178 142 D HA -0.137 4.687 4.640 0.307 0.000 0.202 142 D C 2.156 178.510 176.300 0.089 0.000 0.974 142 D CA 0.903 54.929 54.000 0.044 0.000 0.841 142 D CB 0.077 40.887 40.800 0.016 0.000 0.953 142 D HN 0.127 nan 8.370 nan 0.000 0.478 143 R N -1.316 119.246 120.500 0.103 0.000 2.362 143 R HA 0.200 4.724 4.340 0.307 0.000 0.227 143 R C 0.559 177.005 176.300 0.243 0.000 0.905 143 R CA 0.050 56.223 56.100 0.122 0.000 1.067 143 R CB 0.207 30.546 30.300 0.065 0.000 1.078 143 R HN 0.339 nan 8.270 nan 0.000 0.516 144 F N -1.220 118.751 119.950 0.036 0.000 1.796 144 F HA 0.198 4.901 4.527 0.293 0.000 0.233 144 F C 1.690 177.531 175.800 0.068 0.000 1.242 144 F CA 0.529 58.553 58.000 0.039 0.000 1.308 144 F CB -0.441 38.564 39.000 0.009 0.000 1.920 144 F HN -0.130 nan 8.300 nan 0.000 0.237 145 A N 0.449 123.295 122.820 0.044 0.000 1.958 145 A HA -0.288 4.217 4.320 0.307 0.000 0.221 145 A C 2.098 179.694 177.584 0.021 0.000 1.178 145 A CA 2.405 54.418 52.037 -0.041 0.000 0.642 145 A CB -1.525 17.534 19.000 0.099 0.000 0.816 145 A HN 0.756 nan 8.150 nan 0.000 0.453 146 H N -0.136 118.935 119.070 0.002 0.000 2.306 146 H HA -0.009 4.729 4.556 0.304 0.000 0.307 146 H C -0.648 174.680 175.328 -0.000 0.000 1.061 146 H CA 1.592 57.664 56.048 0.040 0.000 1.359 146 H CB -0.442 29.352 29.762 0.055 0.000 1.407 146 H HN 0.356 nan 8.280 nan 0.000 0.517 147 P HA -0.135 nan 4.420 nan 0.000 0.221 147 P C 1.943 179.172 177.300 -0.118 0.000 1.150 147 P CA 0.625 63.674 63.100 -0.085 0.000 0.800 147 P CB -0.070 31.640 31.700 0.017 0.000 0.787 148 L N 1.524 122.662 121.223 -0.143 0.000 1.970 148 L HA -0.032 4.493 4.340 0.307 0.000 0.212 148 L C -0.732 176.077 176.870 -0.101 0.000 1.071 148 L CA 2.729 57.472 54.840 -0.162 0.000 0.751 148 L CB -2.460 39.386 42.059 -0.356 0.000 0.889 148 L HN -0.028 nan 8.230 nan 0.000 0.432 149 P HA -0.125 nan 4.420 nan 0.000 0.217 149 P C 2.152 179.445 177.300 -0.011 0.000 1.150 149 P CA 1.583 64.691 63.100 0.012 0.000 0.832 149 P CB -0.027 31.733 31.700 0.100 0.000 0.787 150 I N -0.573 119.899 120.570 -0.163 0.000 2.179 150 I HA -0.254 4.100 4.170 0.307 0.000 0.242 150 I C 2.130 178.183 176.117 -0.108 0.000 1.088 150 I CA 1.636 62.765 61.300 -0.285 0.000 1.357 150 I CB -0.486 37.239 38.000 -0.457 0.000 1.051 150 I HN -0.049 nan 8.210 nan 0.000 0.409 151 K N 0.379 120.730 120.400 -0.081 0.000 2.057 151 K HA -0.136 4.368 4.320 0.307 0.000 0.207 151 K C 2.011 178.608 176.600 -0.005 0.000 1.049 151 K CA 1.201 57.468 56.287 -0.033 0.000 0.931 151 K CB -0.169 32.314 32.500 -0.027 0.000 0.714 151 K HN 0.141 nan 8.250 nan 0.000 0.440 152 V N 1.094 121.008 119.914 -0.001 0.000 2.358 152 V HA -0.213 4.091 4.120 0.307 0.000 0.246 152 V C 2.090 178.204 176.094 0.033 0.000 1.047 152 V CA 1.371 63.686 62.300 0.024 0.000 1.035 152 V CB -0.281 31.564 31.823 0.037 0.000 0.658 152 V HN 0.265 nan 8.190 nan 0.000 0.452 153 I N -0.648 119.941 120.570 0.031 0.000 2.439 153 I HA -0.147 4.207 4.170 0.307 0.000 0.251 153 I C 2.255 178.383 176.117 0.019 0.000 1.139 153 I CA 1.276 62.594 61.300 0.029 0.000 1.438 153 I CB -0.353 37.683 38.000 0.059 0.000 1.085 153 I HN 0.290 nan 8.210 nan 0.000 0.427 154 C N 0.376 119.696 119.300 0.034 0.000 2.446 154 C HA -0.090 4.554 4.460 0.307 0.000 0.277 154 C C 2.570 177.586 174.990 0.044 0.000 1.275 154 C CA 0.649 59.708 59.018 0.068 0.000 1.727 154 C CB -1.016 26.783 27.740 0.100 0.000 2.010 154 C HN 0.496 nan 8.230 nan 0.000 0.486 155 E N 0.419 120.638 120.200 0.031 0.000 2.077 155 E HA -0.217 4.317 4.350 0.307 0.000 0.193 155 E C 1.985 178.597 176.600 0.019 0.000 0.989 155 E CA 0.952 57.367 56.400 0.025 0.000 0.800 155 E CB -0.313 29.402 29.700 0.025 0.000 0.746 155 E HN 0.480 nan 8.360 nan 0.000 0.452 156 L N 0.652 121.885 121.223 0.016 0.000 2.131 156 L HA -0.125 4.399 4.340 0.307 0.000 0.210 156 L C 1.945 178.800 176.870 -0.024 0.000 1.092 156 L CA 1.437 56.278 54.840 0.001 0.000 0.759 156 L CB 0.024 42.080 42.059 -0.004 0.000 0.903 156 L HN 0.079 nan 8.230 nan 0.000 0.435 157 L N -1.362 119.849 121.223 -0.020 0.000 2.585 157 L HA 0.316 4.841 4.340 0.307 0.000 0.226 157 L C 1.261 178.125 176.870 -0.009 0.000 1.113 157 L CA 0.491 55.314 54.840 -0.029 0.000 0.876 157 L CB -0.294 41.748 42.059 -0.029 0.000 1.072 157 L HN 0.434 nan 8.230 nan 0.000 0.468 158 G N 1.112 109.917 108.800 0.008 0.000 2.182 158 G HA2 -0.222 3.922 3.960 0.307 0.000 0.248 158 G HA3 -0.222 3.922 3.960 0.307 0.000 0.248 158 G C -0.014 174.902 174.900 0.027 0.000 1.042 158 G CA 0.058 45.165 45.100 0.012 0.000 0.775 158 G HN 0.098 nan 8.290 nan 0.000 0.501 159 V N -0.243 119.711 119.914 0.066 0.000 2.644 159 V HA 0.666 4.971 4.120 0.307 0.000 0.295 159 V C 0.398 176.560 176.094 0.114 0.000 1.053 159 V CA -0.208 62.171 62.300 0.132 0.000 0.987 159 V CB 1.814 33.799 31.823 0.271 0.000 1.006 159 V HN 0.357 nan 8.190 nan 0.000 0.472 160 D N 0.294 120.762 120.400 0.115 0.000 2.585 160 D HA 0.301 5.125 4.640 0.307 0.000 0.254 160 D C 0.893 177.217 176.300 0.039 0.000 1.067 160 D CA -0.613 53.425 54.000 0.064 0.000 1.090 160 D CB 1.207 42.029 40.800 0.037 0.000 1.408 160 D HN 0.650 nan 8.370 nan 0.000 0.554 161 E N 0.471 120.674 120.200 0.004 0.000 2.242 161 E HA -0.351 4.183 4.350 0.307 0.000 0.247 161 E C 0.420 176.990 176.600 -0.050 0.000 1.056 161 E CA 1.751 58.134 56.400 -0.029 0.000 0.999 161 E CB -0.201 29.487 29.700 -0.020 0.000 0.891 161 E HN 0.412 nan 8.360 nan 0.000 0.512 162 A N -0.593 122.214 122.820 -0.021 0.000 3.051 162 A HA 0.424 4.929 4.320 0.307 0.000 0.257 162 A C 0.432 178.025 177.584 0.014 0.000 1.785 162 A CA 0.919 52.942 52.037 -0.024 0.000 1.420 162 A CB -0.507 18.492 19.000 -0.002 0.000 1.063 162 A HN 0.475 nan 8.150 nan 0.000 0.630 163 A N 0.681 123.471 122.820 -0.051 0.000 1.459 163 A HA 0.221 4.725 4.320 0.307 0.000 0.204 163 A C 0.835 178.135 177.584 -0.474 0.000 1.955 163 A CA -0.309 51.726 52.037 -0.004 0.000 1.576 163 A CB -0.037 19.207 19.000 0.407 0.000 1.510 163 A HN 0.512 nan 8.150 nan 0.000 0.301 164 R N -0.078 120.151 120.500 -0.452 0.000 2.811 164 R HA 0.377 4.901 4.340 0.307 0.000 0.265 164 R C 1.447 177.230 176.300 -0.861 0.000 1.026 164 R CA 0.924 56.514 56.100 -0.849 0.000 1.142 164 R CB -0.010 30.063 30.300 -0.378 0.000 1.027 164 R HN 1.356 nan 8.270 nan 0.000 0.465 165 G N 0.201 108.404 108.800 -0.995 0.000 2.435 165 G HA2 -0.445 3.699 3.960 0.307 0.000 0.245 165 G HA3 -0.445 3.699 3.960 0.307 0.000 0.245 165 G C 1.013 175.492 174.900 -0.701 0.000 1.073 165 G CA 0.660 45.393 45.100 -0.611 0.000 0.638 165 G HN 0.728 nan 8.290 nan 0.000 0.521 166 A N 0.811 123.071 122.820 -0.933 0.000 1.841 166 A HA 0.359 4.863 4.320 0.307 0.000 0.214 166 A C 2.128 178.801 177.584 -1.519 0.000 1.195 166 A CA 2.430 53.814 52.037 -1.089 0.000 0.611 166 A CB -0.776 17.622 19.000 -1.003 0.000 0.835 166 A HN 1.365 nan 8.150 nan 0.000 0.443 167 F N 0.674 119.906 119.950 -1.196 0.000 2.583 167 F HA 0.179 4.890 4.527 0.306 0.000 0.297 167 F C 1.798 177.469 175.800 -0.215 0.000 1.131 167 F CA 0.011 57.617 58.000 -0.657 0.000 1.467 167 F CB -1.565 37.293 39.000 -0.237 0.000 1.097 167 F HN 0.080 nan 8.300 nan 0.000 0.586 168 G N 1.787 110.533 108.800 -0.090 0.000 2.394 168 G HA2 -0.207 3.937 3.960 0.307 0.000 0.214 168 G HA3 -0.207 3.937 3.960 0.307 0.000 0.214 168 G C 1.839 176.807 174.900 0.112 0.000 1.176 168 G CA 0.735 45.940 45.100 0.175 0.000 0.786 168 G HN 0.515 nan 8.290 nan 0.000 0.533 169 R N -1.115 119.317 120.500 -0.113 0.000 2.090 169 R HA -0.027 4.498 4.340 0.307 0.000 0.228 169 R C 2.250 178.625 176.300 0.125 0.000 1.110 169 R CA 1.234 57.306 56.100 -0.047 0.000 0.973 169 R CB -0.596 29.621 30.300 -0.139 0.000 0.869 169 R HN 0.383 nan 8.270 nan 0.000 0.440 170 W N 1.954 123.316 121.300 0.104 0.000 2.354 170 W HA 0.018 4.862 4.660 0.307 0.000 0.315 170 W C 2.522 179.130 176.519 0.148 0.000 1.206 170 W CA 0.586 57.997 57.345 0.110 0.000 1.290 170 W CB -1.296 28.235 29.460 0.118 0.000 1.152 170 W HN 0.137 nan 8.180 nan 0.000 0.489 171 S N 0.565 116.535 115.700 0.449 0.000 2.374 171 S HA -0.188 4.466 4.470 0.307 0.000 0.227 171 S C 1.997 176.741 174.600 0.240 0.000 1.037 171 S CA 2.008 60.415 58.200 0.346 0.000 1.024 171 S CB -0.582 62.879 63.200 0.435 0.000 0.861 171 S HN 0.176 nan 8.310 nan 0.000 0.456 172 S N 0.927 116.757 115.700 0.217 0.000 2.383 172 S HA -0.161 4.493 4.470 0.307 0.000 0.229 172 S C 1.927 176.599 174.600 0.119 0.000 1.030 172 S CA 1.477 59.761 58.200 0.141 0.000 1.002 172 S CB -0.316 62.941 63.200 0.095 0.000 0.829 172 S HN 0.572 nan 8.310 nan 0.000 0.467 173 E N 1.293 121.582 120.200 0.147 0.000 2.076 173 E HA 0.047 4.581 4.350 0.307 0.000 0.190 173 E C 1.779 178.453 176.600 0.123 0.000 0.979 173 E CA 0.796 57.270 56.400 0.123 0.000 0.807 173 E CB -0.265 29.520 29.700 0.141 0.000 0.761 173 E HN 0.513 nan 8.360 nan 0.000 0.454 174 I N 0.582 121.250 120.570 0.164 0.000 2.614 174 I HA -0.192 4.162 4.170 0.307 0.000 0.258 174 I C 1.914 178.098 176.117 0.112 0.000 1.189 174 I CA 0.536 61.942 61.300 0.176 0.000 1.462 174 I CB -0.144 38.006 38.000 0.250 0.000 1.092 174 I HN 0.180 nan 8.210 nan 0.000 0.442 175 L N 0.078 121.358 121.223 0.095 0.000 2.353 175 L HA -0.050 4.474 4.340 0.307 0.000 0.220 175 L C 0.832 177.719 176.870 0.028 0.000 1.133 175 L CA 0.526 55.399 54.840 0.055 0.000 0.798 175 L CB -0.002 42.092 42.059 0.058 0.000 0.922 175 L HN 0.098 nan 8.230 nan 0.000 0.445 176 V N 0.136 120.066 119.914 0.026 0.000 2.656 176 V HA 0.381 4.685 4.120 0.307 0.000 0.307 176 V C -0.657 175.429 176.094 -0.013 0.000 1.051 176 V CA -0.645 61.657 62.300 0.002 0.000 0.893 176 V CB 2.048 33.867 31.823 -0.007 0.000 0.999 176 V HN 0.044 nan 8.190 nan 0.000 0.426 177 M N 6.634 126.213 119.600 -0.035 0.000 2.208 177 M HA 0.443 5.108 4.480 0.307 0.000 0.352 177 M C -0.501 175.748 176.300 -0.086 0.000 1.137 177 M CA 0.201 55.452 55.300 -0.081 0.000 1.091 177 M CB 0.655 33.161 32.600 -0.157 0.000 1.309 177 M HN 0.602 nan 8.290 nan 0.000 0.408 178 D N 3.796 124.160 120.400 -0.061 0.000 2.349 178 D HA 0.284 5.108 4.640 0.307 0.000 0.232 178 D C -2.034 174.231 176.300 -0.057 0.000 1.071 178 D CA -1.757 52.209 54.000 -0.057 0.000 0.832 178 D CB 2.257 43.034 40.800 -0.038 0.000 1.086 178 D HN 0.193 nan 8.370 nan 0.000 0.504 179 P HA -0.174 nan 4.420 nan 0.000 0.217 179 P C 0.728 178.004 177.300 -0.040 0.000 1.151 179 P CA 1.295 64.356 63.100 -0.066 0.000 0.849 179 P CB 0.334 31.993 31.700 -0.068 0.000 0.787 180 E N -1.135 119.047 120.200 -0.031 0.000 2.285 180 E HA -0.048 4.486 4.350 0.307 0.000 0.194 180 E C 1.643 178.236 176.600 -0.012 0.000 0.997 180 E CA 0.473 56.861 56.400 -0.019 0.000 0.845 180 E CB -0.134 29.556 29.700 -0.017 0.000 0.782 180 E HN 0.279 nan 8.360 nan 0.000 0.491 181 R N 0.264 120.757 120.500 -0.012 0.000 2.388 181 R HA 0.230 4.755 4.340 0.307 0.000 0.247 181 R C 1.849 178.154 176.300 0.008 0.000 0.931 181 R CA 0.249 56.349 56.100 -0.000 0.000 1.082 181 R CB 0.284 30.585 30.300 0.002 0.000 1.135 181 R HN 0.043 nan 8.270 nan 0.000 0.525 182 A N 1.719 124.540 122.820 0.001 0.000 1.894 182 A HA -0.311 4.193 4.320 0.307 0.000 0.220 182 A C 2.039 179.643 177.584 0.033 0.000 1.237 182 A CA 2.083 54.127 52.037 0.013 0.000 0.660 182 A CB -0.333 18.666 19.000 -0.001 0.000 0.835 182 A HN 0.222 nan 8.150 nan 0.000 0.461 183 E N -0.515 119.697 120.200 0.020 0.000 2.150 183 E HA -0.142 4.392 4.350 0.307 0.000 0.193 183 E C 2.071 178.680 176.600 0.014 0.000 0.985 183 E CA 1.466 57.877 56.400 0.018 0.000 0.814 183 E CB -0.345 29.360 29.700 0.008 0.000 0.752 183 E HN 0.675 nan 8.360 nan 0.000 0.466 184 Q N -0.402 119.410 119.800 0.019 0.000 2.226 184 Q HA -0.034 4.490 4.340 0.307 0.000 0.204 184 Q C 2.081 178.100 176.000 0.032 0.000 0.975 184 Q CA 1.352 57.170 55.803 0.024 0.000 0.866 184 Q CB -0.099 28.656 28.738 0.029 0.000 0.915 184 Q HN 0.140 nan 8.270 nan 0.000 0.440 185 R N -0.658 119.870 120.500 0.046 0.000 2.075 185 R HA -0.038 4.486 4.340 0.307 0.000 0.226 185 R C 2.113 178.432 176.300 0.032 0.000 1.114 185 R CA 1.255 57.404 56.100 0.083 0.000 0.972 185 R CB -0.398 29.978 30.300 0.126 0.000 0.869 185 R HN 0.368 nan 8.270 nan 0.000 0.437 186 G N -0.078 108.739 108.800 0.029 0.000 2.443 186 G HA2 -0.241 3.903 3.960 0.307 0.000 0.219 186 G HA3 -0.241 3.903 3.960 0.307 0.000 0.219 186 G C 1.164 175.968 174.900 -0.160 0.000 1.131 186 G CA 0.244 45.300 45.100 -0.075 0.000 0.775 186 G HN 0.367 nan 8.290 nan 0.000 0.547 187 Q N -0.020 119.725 119.800 -0.091 0.000 2.049 187 Q HA 0.120 4.645 4.340 0.307 0.000 0.198 187 Q C 3.025 178.930 176.000 -0.159 0.000 0.971 187 Q CA 1.040 56.785 55.803 -0.098 0.000 0.833 187 Q CB -0.197 28.517 28.738 -0.040 0.000 0.896 187 Q HN 0.443 nan 8.270 nan 0.000 0.434 188 A N 1.070 123.820 122.820 -0.118 0.000 1.972 188 A HA -0.145 4.359 4.320 0.307 0.000 0.219 188 A C 2.251 179.655 177.584 -0.299 0.000 1.169 188 A CA 1.564 53.506 52.037 -0.158 0.000 0.635 188 A CB -0.716 18.334 19.000 0.084 0.000 0.810 188 A HN 0.402 nan 8.150 nan 0.000 0.446 189 A N -0.154 122.481 122.820 -0.308 0.000 1.902 189 A HA -0.169 4.335 4.320 0.307 0.000 0.217 189 A C 2.248 179.698 177.584 -0.224 0.000 1.181 189 A CA 1.531 53.323 52.037 -0.408 0.000 0.623 189 A CB -0.441 17.818 19.000 -1.235 0.000 0.818 189 A HN 0.557 nan 8.150 nan 0.000 0.443 190 R N -0.460 119.887 120.500 -0.256 0.000 2.092 190 R HA -0.102 4.423 4.340 0.307 0.000 0.231 190 R C 2.134 178.277 176.300 -0.262 0.000 1.119 190 R CA 1.469 57.463 56.100 -0.176 0.000 0.970 190 R CB -0.281 29.934 30.300 -0.140 0.000 0.864 190 R HN 0.677 nan 8.270 nan 0.000 0.440 191 E N 0.152 120.073 120.200 -0.465 0.000 2.051 191 E HA -0.158 4.377 4.350 0.307 0.000 0.192 191 E C 2.075 178.105 176.600 -0.950 0.000 0.991 191 E CA 1.385 57.315 56.400 -0.783 0.000 0.799 191 E CB -0.007 28.953 29.700 -1.234 0.000 0.748 191 E HN 0.086 nan 8.360 nan 0.000 0.449 192 V N 1.128 120.537 119.914 -0.841 0.000 2.287 192 V HA -0.264 4.041 4.120 0.307 0.000 0.248 192 V C 2.401 178.422 176.094 -0.121 0.000 1.053 192 V CA 1.497 63.599 62.300 -0.330 0.000 1.027 192 V CB -0.501 31.330 31.823 0.014 0.000 0.646 192 V HN 0.133 nan 8.190 nan 0.000 0.447 193 V N 0.558 120.381 119.914 -0.152 0.000 2.295 193 V HA -0.252 4.052 4.120 0.307 0.000 0.246 193 V C 2.347 178.330 176.094 -0.185 0.000 1.049 193 V CA 2.226 64.416 62.300 -0.183 0.000 1.024 193 V CB -0.891 30.871 31.823 -0.101 0.000 0.648 193 V HN 0.565 nan 8.190 nan 0.000 0.447 194 N N -0.227 118.390 118.700 -0.139 0.000 2.120 194 N HA -0.176 4.749 4.740 0.307 0.000 0.188 194 N C 1.674 177.172 175.510 -0.021 0.000 1.024 194 N CA 1.676 54.673 53.050 -0.089 0.000 0.852 194 N CB -0.549 37.896 38.487 -0.071 0.000 1.003 194 N HN 0.574 nan 8.380 nan 0.000 0.424 195 F N 1.624 121.513 119.950 -0.103 0.000 2.075 195 F HA -0.138 4.574 4.527 0.308 0.000 0.297 195 F C 2.053 177.853 175.800 -0.000 0.000 1.113 195 F CA 1.154 59.176 58.000 0.038 0.000 1.218 195 F CB -0.084 39.051 39.000 0.225 0.000 0.984 195 F HN -0.110 nan 8.300 nan 0.000 0.472 196 I N 0.680 121.219 120.570 -0.051 0.000 2.226 196 I HA -0.290 4.064 4.170 0.307 0.000 0.245 196 I C 2.491 178.454 176.117 -0.256 0.000 1.100 196 I CA 1.403 62.587 61.300 -0.193 0.000 1.374 196 I CB -1.393 36.526 38.000 -0.135 0.000 1.057 196 I HN 0.297 nan 8.210 nan 0.000 0.413 197 L N 0.641 121.714 121.223 -0.249 0.000 2.042 197 L HA -0.276 4.248 4.340 0.307 0.000 0.210 197 L C 2.293 179.055 176.870 -0.180 0.000 1.076 197 L CA 2.155 56.859 54.840 -0.227 0.000 0.749 197 L CB -0.702 41.227 42.059 -0.218 0.000 0.893 197 L HN 0.335 nan 8.230 nan 0.000 0.432 198 D N -0.134 120.153 120.400 -0.189 0.000 2.144 198 D HA -0.224 4.601 4.640 0.307 0.000 0.200 198 D C 2.124 178.296 176.300 -0.214 0.000 0.978 198 D CA 0.755 54.653 54.000 -0.169 0.000 0.833 198 D CB 0.009 40.727 40.800 -0.137 0.000 0.961 198 D HN 0.134 nan 8.370 nan 0.000 0.470 199 L N 0.236 121.259 121.223 -0.333 0.000 2.017 199 L HA -0.082 4.443 4.340 0.307 0.000 0.208 199 L C 2.272 179.030 176.870 -0.187 0.000 1.073 199 L CA 1.428 56.076 54.840 -0.320 0.000 0.745 199 L CB -0.558 41.226 42.059 -0.458 0.000 0.894 199 L HN 0.076 nan 8.230 nan 0.000 0.432 200 V N -0.176 119.638 119.914 -0.168 0.000 2.295 200 V HA -0.302 4.003 4.120 0.307 0.000 0.246 200 V C 2.574 178.616 176.094 -0.088 0.000 1.049 200 V CA 2.048 64.280 62.300 -0.113 0.000 1.024 200 V CB -0.783 30.977 31.823 -0.105 0.000 0.648 200 V HN 0.616 nan 8.190 nan 0.000 0.447 201 E N 0.245 120.391 120.200 -0.091 0.000 2.110 201 E HA -0.262 4.273 4.350 0.307 0.000 0.193 201 E C 2.462 179.027 176.600 -0.060 0.000 0.988 201 E CA 1.220 57.581 56.400 -0.066 0.000 0.804 201 E CB -0.115 29.547 29.700 -0.062 0.000 0.745 201 E HN 0.456 nan 8.360 nan 0.000 0.458 202 R N 0.228 120.684 120.500 -0.074 0.000 2.092 202 R HA -0.126 4.399 4.340 0.307 0.000 0.231 202 R C 2.335 178.604 176.300 -0.051 0.000 1.119 202 R CA 1.393 57.456 56.100 -0.061 0.000 0.970 202 R CB -0.034 30.222 30.300 -0.075 0.000 0.864 202 R HN -0.008 nan 8.270 nan 0.000 0.440 203 R N 0.199 120.664 120.500 -0.058 0.000 2.115 203 R HA 0.011 4.535 4.340 0.307 0.000 0.226 203 R C 2.271 178.550 176.300 -0.035 0.000 1.100 203 R CA 1.206 57.279 56.100 -0.045 0.000 0.980 203 R CB 0.029 30.298 30.300 -0.051 0.000 0.875 203 R HN 0.164 nan 8.270 nan 0.000 0.445 204 R N -1.291 119.187 120.500 -0.036 0.000 2.096 204 R HA -0.053 4.471 4.340 0.307 0.000 0.235 204 R C 1.813 178.100 176.300 -0.022 0.000 1.127 204 R CA 1.863 57.947 56.100 -0.027 0.000 0.968 204 R CB -0.177 30.107 30.300 -0.028 0.000 0.861 204 R HN 0.216 nan 8.270 nan 0.000 0.440 205 T N 0.657 115.196 114.554 -0.025 0.000 2.942 205 T HA -0.104 4.431 4.350 0.307 0.000 0.265 205 T C 0.509 175.199 174.700 -0.017 0.000 1.062 205 T CA 1.135 63.223 62.100 -0.020 0.000 1.139 205 T CB 0.015 68.870 68.868 -0.022 0.000 0.883 205 T HN 0.478 nan 8.240 nan 0.000 0.468 206 E N 1.318 121.507 120.200 -0.019 0.000 2.923 206 E HA 0.286 4.820 4.350 0.307 0.000 0.266 206 E C -3.135 173.456 176.600 -0.015 0.000 1.157 206 E CA -2.051 54.340 56.400 -0.015 0.000 0.795 206 E CB 1.095 30.786 29.700 -0.014 0.000 1.454 206 E HN 0.139 nan 8.360 nan 0.000 0.386 207 P HA 0.222 nan 4.420 nan 0.000 0.269 207 P C -0.003 177.292 177.300 -0.008 0.000 1.215 207 P CA 0.276 63.369 63.100 -0.012 0.000 0.780 207 P CB 1.702 33.397 31.700 -0.009 0.000 0.898 208 G N 0.615 109.412 108.800 -0.007 0.000 3.058 208 G HA2 0.215 4.360 3.960 0.307 0.000 0.282 208 G HA3 0.215 4.360 3.960 0.307 0.000 0.282 208 G C -0.160 174.740 174.900 0.001 0.000 1.248 208 G CA -0.342 44.757 45.100 -0.002 0.000 0.822 208 G HN 0.350 nan 8.290 nan 0.000 0.579 209 D N 0.791 121.194 120.400 0.004 0.000 2.340 209 D HA 0.045 4.869 4.640 0.307 0.000 0.220 209 D C 0.521 176.827 176.300 0.009 0.000 1.039 209 D CA 0.200 54.205 54.000 0.008 0.000 0.866 209 D CB 0.182 40.990 40.800 0.012 0.000 0.913 209 D HN 0.519 nan 8.370 nan 0.000 0.523 210 D N 0.646 121.048 120.400 0.003 0.000 2.362 210 D HA -0.085 4.739 4.640 0.307 0.000 0.238 210 D C 1.507 177.803 176.300 -0.007 0.000 1.212 210 D CA -0.515 53.484 54.000 -0.001 0.000 0.902 210 D CB 1.877 42.672 40.800 -0.008 0.000 1.180 210 D HN -0.091 nan 8.370 nan 0.000 0.445 211 L N 0.762 121.973 121.223 -0.020 0.000 2.083 211 L HA -0.145 4.379 4.340 0.307 0.000 0.209 211 L C 2.206 179.051 176.870 -0.043 0.000 1.083 211 L CA 1.246 56.066 54.840 -0.034 0.000 0.752 211 L CB -0.844 41.163 42.059 -0.088 0.000 0.899 211 L HN 0.537 nan 8.230 nan 0.000 0.433 212 L N -1.167 120.026 121.223 -0.050 0.000 2.093 212 L HA -0.129 4.395 4.340 0.307 0.000 0.208 212 L C 2.448 179.298 176.870 -0.033 0.000 1.085 212 L CA 1.850 56.661 54.840 -0.049 0.000 0.755 212 L CB -0.724 41.302 42.059 -0.054 0.000 0.904 212 L HN 0.287 nan 8.230 nan 0.000 0.435 213 S N -0.276 115.409 115.700 -0.025 0.000 2.368 213 S HA -0.135 4.519 4.470 0.307 0.000 0.225 213 S C 2.117 176.710 174.600 -0.011 0.000 1.030 213 S CA 1.054 59.244 58.200 -0.017 0.000 0.999 213 S CB -0.577 62.615 63.200 -0.012 0.000 0.844 213 S HN 0.652 nan 8.310 nan 0.000 0.459 214 A N 1.609 124.425 122.820 -0.007 0.000 1.908 214 A HA -0.038 4.466 4.320 0.307 0.000 0.218 214 A C 2.076 179.661 177.584 0.002 0.000 1.181 214 A CA 1.250 53.288 52.037 0.002 0.000 0.627 214 A CB -0.792 18.215 19.000 0.011 0.000 0.818 214 A HN 0.467 nan 8.150 nan 0.000 0.445 215 L N -0.619 120.601 121.223 -0.006 0.000 2.275 215 L HA -0.111 4.414 4.340 0.307 0.000 0.215 215 L C 2.247 179.113 176.870 -0.006 0.000 1.119 215 L CA 0.732 55.569 54.840 -0.005 0.000 0.790 215 L CB -0.446 41.603 42.059 -0.016 0.000 0.919 215 L HN 0.388 nan 8.230 nan 0.000 0.443 216 I N -1.063 119.501 120.570 -0.010 0.000 2.439 216 I HA -0.188 4.167 4.170 0.307 0.000 0.251 216 I C 2.170 178.284 176.117 -0.005 0.000 1.139 216 I CA 0.949 62.243 61.300 -0.010 0.000 1.438 216 I CB -0.042 37.949 38.000 -0.015 0.000 1.085 216 I HN 0.154 nan 8.210 nan 0.000 0.427 217 S N -0.332 115.367 115.700 -0.002 0.000 2.470 217 S HA 0.088 4.743 4.470 0.307 0.000 0.222 217 S C 0.886 175.489 174.600 0.004 0.000 1.024 217 S CA -0.275 57.925 58.200 0.001 0.000 0.931 217 S CB 0.157 63.358 63.200 0.002 0.000 0.791 217 S HN 0.138 nan 8.310 nan 0.000 0.513 218 V N 2.672 122.590 119.914 0.006 0.000 2.790 218 V HA -0.013 4.291 4.120 0.307 0.000 0.304 218 V C -0.047 176.052 176.094 0.008 0.000 1.142 218 V CA 1.017 63.323 62.300 0.009 0.000 1.282 218 V CB 0.658 32.489 31.823 0.013 0.000 0.877 218 V HN 0.559 nan 8.190 nan 0.000 0.504 219 Q N 3.847 123.652 119.800 0.009 0.000 2.472 219 Q HA 0.524 5.048 4.340 0.307 0.000 0.281 219 Q C -1.851 174.153 176.000 0.007 0.000 0.997 219 Q CA -0.792 55.015 55.803 0.007 0.000 0.828 219 Q CB 2.357 31.098 28.738 0.006 0.000 1.443 219 Q HN 0.835 nan 8.270 nan 0.000 0.390 220 D N 0.077 120.481 120.400 0.006 0.000 2.857 220 D HA 0.258 5.082 4.640 0.307 0.000 0.227 220 D C -0.271 176.032 176.300 0.005 0.000 1.192 220 D CA -0.390 53.614 54.000 0.006 0.000 0.857 220 D CB 1.765 42.569 40.800 0.005 0.000 1.645 220 D HN 0.515 nan 8.370 nan 0.000 0.482 221 D N 1.218 121.620 120.400 0.004 0.000 2.144 221 D HA -0.095 4.730 4.640 0.307 0.000 0.200 221 D C 0.539 176.841 176.300 0.004 0.000 0.978 221 D CA 1.047 55.049 54.000 0.004 0.000 0.833 221 D CB 0.270 41.072 40.800 0.004 0.000 0.961 221 D HN 0.482 nan 8.370 nan 0.000 0.470 222 D N 0.007 120.410 120.400 0.004 0.000 2.355 222 D HA -0.017 4.808 4.640 0.307 0.000 0.206 222 D C 1.004 177.307 176.300 0.005 0.000 1.010 222 D CA 0.450 54.453 54.000 0.004 0.000 0.875 222 D CB 0.295 41.097 40.800 0.004 0.000 0.966 222 D HN 0.178 nan 8.370 nan 0.000 0.512 223 D N -0.252 120.151 120.400 0.005 0.000 2.422 223 D HA 0.200 5.025 4.640 0.307 0.000 0.218 223 D C 1.546 177.849 176.300 0.005 0.000 1.047 223 D CA 0.900 54.903 54.000 0.005 0.000 0.885 223 D CB 1.689 42.491 40.800 0.003 0.000 1.035 223 D HN 0.216 nan 8.370 nan 0.000 0.502 224 G N 1.041 109.844 108.800 0.005 0.000 2.513 224 G HA2 -0.213 3.931 3.960 0.307 0.000 0.227 224 G HA3 -0.213 3.931 3.960 0.307 0.000 0.227 224 G C -0.362 174.541 174.900 0.005 0.000 1.176 224 G CA -0.438 44.665 45.100 0.005 0.000 0.967 224 G HN 0.256 nan 8.290 nan 0.000 0.587 225 R N -1.153 119.351 120.500 0.005 0.000 2.922 225 R HA 0.747 5.271 4.340 0.307 0.000 0.256 225 R C -0.578 175.727 176.300 0.007 0.000 1.138 225 R CA -1.010 55.094 56.100 0.006 0.000 0.995 225 R CB 1.032 31.335 30.300 0.005 0.000 1.226 225 R HN 0.431 nan 8.270 nan 0.000 0.481 226 L N 1.288 122.515 121.223 0.008 0.000 2.312 226 L HA 0.325 4.849 4.340 0.307 0.000 0.281 226 L C 0.559 177.435 176.870 0.011 0.000 1.070 226 L CA -0.499 54.347 54.840 0.010 0.000 0.805 226 L CB 1.585 43.651 42.059 0.010 0.000 1.174 226 L HN 0.744 nan 8.230 nan 0.000 0.434 227 S N 1.698 117.407 115.700 0.014 0.000 2.624 227 S HA 0.328 4.982 4.470 0.307 0.000 0.263 227 S C 1.219 175.832 174.600 0.021 0.000 1.287 227 S CA -0.158 58.050 58.200 0.015 0.000 0.990 227 S CB 1.451 64.660 63.200 0.014 0.000 0.950 227 S HN 0.709 nan 8.310 nan 0.000 0.561 228 A N 1.160 123.994 122.820 0.023 0.000 1.892 228 A HA -0.171 4.333 4.320 0.307 0.000 0.218 228 A C 1.797 179.417 177.584 0.061 0.000 1.188 228 A CA 2.059 54.115 52.037 0.032 0.000 0.631 228 A CB -1.283 17.738 19.000 0.034 0.000 0.822 228 A HN 0.889 nan 8.150 nan 0.000 0.447 229 D N -0.395 120.052 120.400 0.077 0.000 2.097 229 D HA -0.127 4.698 4.640 0.307 0.000 0.195 229 D C 1.951 178.313 176.300 0.103 0.000 0.989 229 D CA 1.559 55.634 54.000 0.125 0.000 0.827 229 D CB -0.506 40.330 40.800 0.059 0.000 0.966 229 D HN 0.683 nan 8.370 nan 0.000 0.456 230 E N 0.318 120.553 120.200 0.059 0.000 2.077 230 E HA -0.122 4.412 4.350 0.307 0.000 0.193 230 E C 2.109 178.733 176.600 0.039 0.000 0.989 230 E CA 0.157 56.586 56.400 0.049 0.000 0.800 230 E CB -0.010 29.710 29.700 0.034 0.000 0.746 230 E HN 0.133 nan 8.360 nan 0.000 0.452 231 L N 1.153 122.393 121.223 0.027 0.000 2.017 231 L HA -0.165 4.359 4.340 0.307 0.000 0.208 231 L C 2.111 178.976 176.870 -0.008 0.000 1.073 231 L CA 1.982 56.825 54.840 0.005 0.000 0.745 231 L CB -1.051 41.007 42.059 -0.002 0.000 0.894 231 L HN 0.183 nan 8.230 nan 0.000 0.432 232 T N -1.032 113.523 114.554 0.001 0.000 2.746 232 T HA -0.161 4.373 4.350 0.307 0.000 0.267 232 T C 2.097 176.773 174.700 -0.039 0.000 1.039 232 T CA 1.636 63.708 62.100 -0.047 0.000 1.142 232 T CB -0.148 68.675 68.868 -0.075 0.000 0.866 232 T HN 0.358 nan 8.240 nan 0.000 0.444 233 S N 0.373 116.100 115.700 0.045 0.000 2.387 233 S HA 0.036 4.691 4.470 0.307 0.000 0.226 233 S C 2.030 176.634 174.600 0.007 0.000 1.026 233 S CA 0.560 58.789 58.200 0.048 0.000 0.972 233 S CB -0.416 62.852 63.200 0.113 0.000 0.814 233 S HN 0.435 nan 8.310 nan 0.000 0.477 234 I N 1.497 122.074 120.570 0.012 0.000 2.252 234 I HA -0.140 4.214 4.170 0.307 0.000 0.245 234 I C 2.729 178.827 176.117 -0.032 0.000 1.102 234 I CA 1.087 62.390 61.300 0.004 0.000 1.385 234 I CB -0.438 37.567 38.000 0.008 0.000 1.064 234 I HN 0.361 nan 8.210 nan 0.000 0.414 235 A N 0.637 123.426 122.820 -0.051 0.000 1.902 235 A HA -0.209 4.296 4.320 0.307 0.000 0.217 235 A C 2.342 179.881 177.584 -0.075 0.000 1.181 235 A CA 1.437 53.431 52.037 -0.070 0.000 0.623 235 A CB -0.813 18.141 19.000 -0.077 0.000 0.818 235 A HN 0.452 nan 8.150 nan 0.000 0.443 236 L N -0.674 120.489 121.223 -0.100 0.000 1.994 236 L HA -0.128 4.396 4.340 0.307 0.000 0.208 236 L C 2.445 179.244 176.870 -0.119 0.000 1.071 236 L CA 1.904 56.653 54.840 -0.153 0.000 0.745 236 L CB -0.238 41.644 42.059 -0.296 0.000 0.892 236 L HN 0.221 nan 8.230 nan 0.000 0.431 237 V N -0.088 119.783 119.914 -0.071 0.000 2.427 237 V HA -0.251 4.053 4.120 0.307 0.000 0.248 237 V C 2.344 178.431 176.094 -0.012 0.000 1.051 237 V CA 1.820 64.113 62.300 -0.012 0.000 1.048 237 V CB -0.152 31.700 31.823 0.048 0.000 0.666 237 V HN 0.445 nan 8.190 nan 0.000 0.456 238 L N -0.866 120.335 121.223 -0.035 0.000 2.093 238 L HA -0.146 4.379 4.340 0.307 0.000 0.208 238 L C 2.427 179.264 176.870 -0.054 0.000 1.085 238 L CA 1.593 56.394 54.840 -0.066 0.000 0.755 238 L CB -0.570 41.399 42.059 -0.150 0.000 0.904 238 L HN 0.407 nan 8.230 nan 0.000 0.435 239 L N -0.513 120.680 121.223 -0.050 0.000 2.005 239 L HA -0.191 4.333 4.340 0.307 0.000 0.207 239 L C 2.300 179.180 176.870 0.016 0.000 1.072 239 L CA 1.711 56.531 54.840 -0.033 0.000 0.744 239 L CB -0.383 41.640 42.059 -0.060 0.000 0.895 239 L HN 0.003 nan 8.230 nan 0.000 0.433 240 L N 0.059 121.256 121.223 -0.042 0.000 1.976 240 L HA -0.093 4.432 4.340 0.307 0.000 0.209 240 L C 2.648 179.373 176.870 -0.241 0.000 1.071 240 L CA 2.194 56.955 54.840 -0.133 0.000 0.746 240 L CB -1.510 40.523 42.059 -0.044 0.000 0.890 240 L HN 0.349 nan 8.230 nan 0.000 0.432 241 A N -0.799 121.965 122.820 -0.093 0.000 2.067 241 A HA -0.032 4.473 4.320 0.307 0.000 0.219 241 A C 2.311 179.879 177.584 -0.027 0.000 1.158 241 A CA 1.293 53.297 52.037 -0.056 0.000 0.661 241 A CB -1.220 17.796 19.000 0.027 0.000 0.801 241 A HN 0.465 nan 8.150 nan 0.000 0.452 242 G N -0.888 107.915 108.800 0.005 0.000 2.471 242 G HA2 -0.035 4.109 3.960 0.307 0.000 0.219 242 G HA3 -0.035 4.109 3.960 0.307 0.000 0.219 242 G C 1.138 176.125 174.900 0.144 0.000 1.125 242 G CA 1.365 46.514 45.100 0.081 0.000 0.775 242 G HN 0.878 nan 8.290 nan 0.000 0.548 243 F N -1.133 118.807 119.950 -0.016 0.000 2.729 243 F HA 0.502 5.212 4.527 0.305 0.000 0.304 243 F C 1.843 177.647 175.800 0.007 0.000 1.008 243 F CA 0.409 58.397 58.000 -0.019 0.000 1.188 243 F CB 0.248 39.207 39.000 -0.069 0.000 0.980 243 F HN 0.014 nan 8.300 nan 0.000 0.627 244 E N 1.996 121.717 120.200 -0.798 0.000 2.038 244 E HA -0.127 4.407 4.350 0.307 0.000 0.195 244 E C 2.296 178.829 176.600 -0.111 0.000 1.000 244 E CA 2.197 58.304 56.400 -0.489 0.000 0.803 244 E CB -0.607 28.768 29.700 -0.541 0.000 0.750 244 E HN 0.476 nan 8.360 nan 0.000 0.448 245 A N -0.442 122.338 122.820 -0.067 0.000 2.015 245 A HA -0.103 4.402 4.320 0.307 0.000 0.219 245 A C 2.340 179.964 177.584 0.066 0.000 1.163 245 A CA 1.631 53.680 52.037 0.019 0.000 0.646 245 A CB -0.447 18.574 19.000 0.035 0.000 0.806 245 A HN 0.239 nan 8.150 nan 0.000 0.448 246 S N -0.420 115.327 115.700 0.078 0.000 2.402 246 S HA -0.101 4.553 4.470 0.307 0.000 0.229 246 S C 1.858 176.518 174.600 0.101 0.000 1.021 246 S CA 1.295 59.559 58.200 0.106 0.000 0.974 246 S CB -0.315 62.955 63.200 0.117 0.000 0.800 246 S HN 0.373 nan 8.310 nan 0.000 0.484 247 V N 1.723 121.705 119.914 0.113 0.000 2.295 247 V HA -0.155 4.149 4.120 0.307 0.000 0.246 247 V C 2.397 178.564 176.094 0.121 0.000 1.049 247 V CA 1.900 64.278 62.300 0.131 0.000 1.024 247 V CB -0.981 30.966 31.823 0.207 0.000 0.648 247 V HN 0.426 nan 8.190 nan 0.000 0.447 248 S N 0.324 116.093 115.700 0.115 0.000 2.370 248 S HA -0.203 4.452 4.470 0.307 0.000 0.226 248 S C 1.908 176.593 174.600 0.141 0.000 1.033 248 S CA 1.831 60.107 58.200 0.126 0.000 1.011 248 S CB -0.496 62.777 63.200 0.121 0.000 0.852 248 S HN 0.460 nan 8.310 nan 0.000 0.457 249 L N 1.958 123.258 121.223 0.128 0.000 2.012 249 L HA -0.022 4.502 4.340 0.307 0.000 0.210 249 L C 1.894 178.858 176.870 0.156 0.000 1.073 249 L CA 1.655 56.578 54.840 0.139 0.000 0.748 249 L CB -0.641 41.497 42.059 0.130 0.000 0.891 249 L HN 0.291 nan 8.230 nan 0.000 0.431 250 I N -0.623 120.029 120.570 0.135 0.000 2.286 250 I HA -0.142 4.212 4.170 0.307 0.000 0.245 250 I C 2.473 178.691 176.117 0.168 0.000 1.104 250 I CA 1.163 62.549 61.300 0.144 0.000 1.397 250 I CB -1.090 36.950 38.000 0.067 0.000 1.072 250 I HN 0.401 nan 8.210 nan 0.000 0.417 251 G N 1.234 110.117 108.800 0.138 0.000 2.404 251 G HA2 -0.158 3.987 3.960 0.307 0.000 0.215 251 G HA3 -0.158 3.987 3.960 0.307 0.000 0.215 251 G C 1.703 176.687 174.900 0.140 0.000 1.174 251 G CA 0.543 45.713 45.100 0.118 0.000 0.780 251 G HN 0.290 nan 8.290 nan 0.000 0.537 252 I N 1.324 121.996 120.570 0.170 0.000 2.315 252 I HA -0.064 4.291 4.170 0.307 0.000 0.248 252 I C 3.042 179.338 176.117 0.298 0.000 1.117 252 I CA 0.886 62.346 61.300 0.267 0.000 1.404 252 I CB -0.393 37.822 38.000 0.358 0.000 1.071 252 I HN 0.251 nan 8.210 nan 0.000 0.419 253 G N 0.320 109.263 108.800 0.238 0.000 2.418 253 G HA2 -0.213 3.932 3.960 0.307 0.000 0.217 253 G HA3 -0.213 3.932 3.960 0.307 0.000 0.217 253 G C 1.664 176.724 174.900 0.266 0.000 1.158 253 G CA 1.338 46.571 45.100 0.221 0.000 0.771 253 G HN 0.269 nan 8.290 nan 0.000 0.545 254 T N -0.210 114.532 114.554 0.313 0.000 2.746 254 T HA -0.167 4.367 4.350 0.307 0.000 0.267 254 T C 1.936 176.826 174.700 0.316 0.000 1.039 254 T CA 1.327 63.658 62.100 0.386 0.000 1.142 254 T CB -0.365 68.637 68.868 0.223 0.000 0.866 254 T HN 0.411 nan 8.240 nan 0.000 0.444 255 Y N 1.608 121.981 120.300 0.121 0.000 2.128 255 Y HA -0.127 4.597 4.550 0.290 0.000 0.284 255 Y C 2.033 177.987 175.900 0.090 0.000 1.154 255 Y CA 1.222 59.366 58.100 0.073 0.000 1.149 255 Y CB -0.410 38.057 38.460 0.011 0.000 0.976 255 Y HN 0.106 nan 8.280 nan 0.000 0.505 256 L N -0.289 120.919 121.223 -0.026 0.000 2.017 256 L HA -0.258 4.266 4.340 0.307 0.000 0.208 256 L C 2.448 179.203 176.870 -0.192 0.000 1.073 256 L CA 1.397 56.067 54.840 -0.284 0.000 0.745 256 L CB -0.619 41.080 42.059 -0.599 0.000 0.894 256 L HN 0.324 nan 8.230 nan 0.000 0.432 257 L N -0.683 120.503 121.223 -0.062 0.000 2.141 257 L HA -0.211 4.313 4.340 0.307 0.000 0.209 257 L C 2.435 179.287 176.870 -0.030 0.000 1.094 257 L CA 0.924 55.739 54.840 -0.041 0.000 0.763 257 L CB -0.345 41.564 42.059 -0.250 0.000 0.908 257 L HN 0.300 nan 8.230 nan 0.000 0.437 258 L N -0.514 120.722 121.223 0.021 0.000 2.156 258 L HA -0.130 4.394 4.340 0.307 0.000 0.208 258 L C 2.556 179.377 176.870 -0.083 0.000 1.095 258 L CA 1.659 56.512 54.840 0.021 0.000 0.770 258 L CB -0.705 41.393 42.059 0.065 0.000 0.914 258 L HN 0.417 nan 8.230 nan 0.000 0.439 259 T N -4.908 109.529 114.554 -0.195 0.000 3.100 259 T HA -0.019 4.515 4.350 0.307 0.000 0.253 259 T C 0.767 175.214 174.700 -0.422 0.000 1.118 259 T CA 0.286 62.194 62.100 -0.321 0.000 1.058 259 T CB -0.170 68.394 68.868 -0.507 0.000 0.953 259 T HN 0.286 nan 8.240 nan 0.000 0.515 260 H N 1.046 120.055 119.070 -0.102 0.000 2.380 260 H HA 0.252 5.008 4.556 0.333 0.000 0.231 260 H C -2.237 173.077 175.328 -0.024 0.000 1.415 260 H CA -1.752 54.281 56.048 -0.025 0.000 1.433 260 H CB 1.528 31.341 29.762 0.086 0.000 1.544 260 H HN 0.180 nan 8.280 nan 0.000 0.503 261 P HA -0.244 nan 4.420 nan 0.000 0.216 261 P C 1.441 178.744 177.300 0.005 0.000 1.154 261 P CA 1.561 64.660 63.100 -0.000 0.000 0.865 261 P CB 0.356 32.047 31.700 -0.014 0.000 0.789 262 D N -0.600 119.812 120.400 0.020 0.000 2.116 262 D HA -0.223 4.601 4.640 0.307 0.000 0.193 262 D C 1.674 177.970 176.300 -0.007 0.000 0.998 262 D CA 1.185 55.189 54.000 0.007 0.000 0.836 262 D CB -0.829 39.980 40.800 0.014 0.000 0.951 262 D HN 0.244 nan 8.370 nan 0.000 0.449 263 Q N 0.150 119.960 119.800 0.017 0.000 2.123 263 Q HA -0.038 4.486 4.340 0.307 0.000 0.199 263 Q C 2.488 178.459 176.000 -0.048 0.000 0.966 263 Q CA 0.307 56.093 55.803 -0.028 0.000 0.845 263 Q CB -0.542 28.202 28.738 0.010 0.000 0.907 263 Q HN 0.285 nan 8.270 nan 0.000 0.439 264 L N 1.009 122.200 121.223 -0.053 0.000 2.083 264 L HA -0.043 4.481 4.340 0.307 0.000 0.209 264 L C 2.129 178.932 176.870 -0.111 0.000 1.083 264 L CA 1.976 56.722 54.840 -0.156 0.000 0.752 264 L CB -0.974 40.967 42.059 -0.197 0.000 0.899 264 L HN 0.130 nan 8.230 nan 0.000 0.433 265 A N -0.790 121.994 122.820 -0.060 0.000 1.930 265 A HA -0.183 4.321 4.320 0.307 0.000 0.217 265 A C 2.366 179.927 177.584 -0.037 0.000 1.175 265 A CA 1.791 53.806 52.037 -0.037 0.000 0.627 265 A CB -0.887 18.100 19.000 -0.022 0.000 0.815 265 A HN 0.491 nan 8.150 nan 0.000 0.443 266 L N -0.288 120.908 121.223 -0.045 0.000 2.083 266 L HA -0.156 4.368 4.340 0.307 0.000 0.209 266 L C 2.400 179.244 176.870 -0.044 0.000 1.083 266 L CA 1.250 56.063 54.840 -0.046 0.000 0.752 266 L CB -0.123 41.899 42.059 -0.062 0.000 0.899 266 L HN 0.273 nan 8.230 nan 0.000 0.433 267 V N -0.480 119.400 119.914 -0.057 0.000 2.379 267 V HA -0.220 4.084 4.120 0.307 0.000 0.245 267 V C 2.498 178.580 176.094 -0.021 0.000 1.044 267 V CA 1.598 63.871 62.300 -0.046 0.000 1.036 267 V CB -0.602 31.175 31.823 -0.077 0.000 0.664 267 V HN 0.421 nan 8.190 nan 0.000 0.453 268 R N 0.314 120.797 120.500 -0.027 0.000 2.096 268 R HA -0.122 4.402 4.340 0.307 0.000 0.235 268 R C 2.417 178.722 176.300 0.008 0.000 1.127 268 R CA 1.447 57.550 56.100 0.005 0.000 0.968 268 R CB -0.571 29.734 30.300 0.008 0.000 0.861 268 R HN 0.547 nan 8.270 nan 0.000 0.440 269 A N 0.913 123.731 122.820 -0.003 0.000 1.845 269 A HA -0.139 4.365 4.320 0.307 0.000 0.215 269 A C 0.795 178.381 177.584 0.002 0.000 1.195 269 A CA 1.238 53.275 52.037 -0.001 0.000 0.616 269 A CB -0.093 18.903 19.000 -0.008 0.000 0.832 269 A HN 0.178 nan 8.150 nan 0.000 0.443 270 D N -1.504 118.896 120.400 -0.001 0.000 2.453 270 D HA 0.343 5.168 4.640 0.307 0.000 0.238 270 D C -1.873 174.433 176.300 0.011 0.000 1.088 270 D CA -2.239 51.764 54.000 0.004 0.000 0.854 270 D CB 1.536 42.335 40.800 -0.002 0.000 1.076 270 D HN 0.026 nan 8.370 nan 0.000 0.533 271 P HA -0.093 nan 4.420 nan 0.000 0.222 271 P C 0.898 178.218 177.300 0.033 0.000 1.147 271 P CA 0.492 63.611 63.100 0.033 0.000 0.790 271 P CB 0.411 32.133 31.700 0.037 0.000 0.780 272 S N -0.043 115.672 115.700 0.024 0.000 2.547 272 S HA 0.063 4.718 4.470 0.307 0.000 0.235 272 S C 1.908 176.521 174.600 0.021 0.000 0.980 272 S CA 0.866 59.080 58.200 0.024 0.000 0.941 272 S CB -0.507 62.704 63.200 0.018 0.000 0.763 272 S HN 0.237 nan 8.310 nan 0.000 0.532 273 A N 0.407 123.235 122.820 0.014 0.000 2.275 273 A HA 0.309 4.814 4.320 0.307 0.000 0.212 273 A C 1.730 179.321 177.584 0.013 0.000 1.201 273 A CA -0.007 52.032 52.037 0.003 0.000 0.843 273 A CB -0.212 18.778 19.000 -0.015 0.000 0.873 273 A HN 0.385 nan 8.150 nan 0.000 0.492 274 L N 0.647 121.890 121.223 0.034 0.000 2.027 274 L HA 0.031 4.556 4.340 0.307 0.000 0.206 274 L C -0.823 176.088 176.870 0.069 0.000 1.074 274 L CA 2.111 56.985 54.840 0.056 0.000 0.745 274 L CB -1.129 40.976 42.059 0.077 0.000 0.898 274 L HN 0.112 nan 8.230 nan 0.000 0.433 275 P HA -0.182 nan 4.420 nan 0.000 0.215 275 P C 1.188 178.539 177.300 0.084 0.000 1.157 275 P CA 1.751 64.901 63.100 0.083 0.000 0.874 275 P CB -0.055 31.688 31.700 0.072 0.000 0.790 276 N N -1.213 117.520 118.700 0.055 0.000 2.396 276 N HA -0.057 4.867 4.740 0.307 0.000 0.180 276 N C 1.527 177.046 175.510 0.014 0.000 1.028 276 N CA 0.891 53.965 53.050 0.040 0.000 0.893 276 N CB -0.555 37.940 38.487 0.013 0.000 0.967 276 N HN -0.058 nan 8.380 nan 0.000 0.440 277 A N -0.259 122.571 122.820 0.015 0.000 1.898 277 A HA -0.061 4.444 4.320 0.307 0.000 0.216 277 A C 2.246 179.885 177.584 0.091 0.000 1.181 277 A CA 1.325 53.370 52.037 0.014 0.000 0.620 277 A CB -0.763 18.259 19.000 0.037 0.000 0.819 277 A HN 0.150 nan 8.150 nan 0.000 0.442 278 V N 0.446 120.428 119.914 0.112 0.000 2.295 278 V HA -0.234 4.071 4.120 0.307 0.000 0.246 278 V C 2.531 178.695 176.094 0.117 0.000 1.049 278 V CA 2.124 64.509 62.300 0.142 0.000 1.024 278 V CB -0.778 31.142 31.823 0.162 0.000 0.648 278 V HN 0.530 nan 8.190 nan 0.000 0.447 279 E N 0.071 120.335 120.200 0.106 0.000 2.077 279 E HA -0.258 4.276 4.350 0.307 0.000 0.193 279 E C 2.233 178.784 176.600 -0.083 0.000 0.989 279 E CA 1.528 57.966 56.400 0.064 0.000 0.800 279 E CB -0.178 29.616 29.700 0.156 0.000 0.746 279 E HN 0.684 nan 8.360 nan 0.000 0.452 280 E N 0.982 121.162 120.200 -0.032 0.000 2.152 280 E HA -0.074 4.461 4.350 0.307 0.000 0.192 280 E C 1.985 178.656 176.600 0.119 0.000 0.983 280 E CA 0.535 56.899 56.400 -0.059 0.000 0.818 280 E CB -0.230 29.351 29.700 -0.199 0.000 0.758 280 E HN 0.234 nan 8.360 nan 0.000 0.467 281 I N 0.001 120.697 120.570 0.211 0.000 2.252 281 I HA -0.231 4.124 4.170 0.307 0.000 0.245 281 I C 2.154 178.344 176.117 0.122 0.000 1.102 281 I CA 0.769 62.231 61.300 0.271 0.000 1.385 281 I CB -0.163 37.975 38.000 0.229 0.000 1.064 281 I HN 0.157 nan 8.210 nan 0.000 0.414 282 L N 0.159 121.369 121.223 -0.021 0.000 2.093 282 L HA -0.190 4.334 4.340 0.307 0.000 0.208 282 L C 2.781 179.510 176.870 -0.236 0.000 1.085 282 L CA 1.179 55.925 54.840 -0.157 0.000 0.755 282 L CB -0.555 41.315 42.059 -0.315 0.000 0.904 282 L HN 0.223 nan 8.230 nan 0.000 0.435 283 R N -0.574 119.713 120.500 -0.356 0.000 2.066 283 R HA -0.228 4.297 4.340 0.307 0.000 0.232 283 R C 2.424 178.628 176.300 -0.160 0.000 1.131 283 R CA 1.738 57.625 56.100 -0.355 0.000 0.955 283 R CB -0.492 29.538 30.300 -0.450 0.000 0.851 283 R HN 0.283 nan 8.270 nan 0.000 0.432 284 Y N 0.321 120.523 120.300 -0.164 0.000 2.145 284 Y HA -0.047 4.682 4.550 0.298 0.000 0.286 284 Y C 0.590 176.425 175.900 -0.109 0.000 1.145 284 Y CA 1.389 59.418 58.100 -0.119 0.000 1.148 284 Y CB 0.358 38.845 38.460 0.045 0.000 0.981 284 Y HN -0.007 nan 8.280 nan 0.000 0.507 285 I N 1.042 121.630 120.570 0.030 0.000 2.641 285 I HA 0.291 4.645 4.170 0.307 0.000 0.275 285 I C -0.596 175.614 176.117 0.156 0.000 1.129 285 I CA -0.721 60.648 61.300 0.114 0.000 1.094 285 I CB 0.998 39.116 38.000 0.197 0.000 1.232 285 I HN 0.022 nan 8.210 nan 0.000 0.503 286 A N 6.716 129.617 122.820 0.136 0.000 2.491 286 A HA 0.368 4.872 4.320 0.307 0.000 0.261 286 A C -1.718 175.928 177.584 0.104 0.000 1.101 286 A CA -0.827 51.256 52.037 0.076 0.000 0.772 286 A CB 0.041 19.080 19.000 0.065 0.000 1.043 286 A HN 0.415 nan 8.150 nan 0.000 0.501 287 P HA -0.064 nan 4.420 nan 0.000 0.214 287 P C -1.854 175.475 177.300 0.048 0.000 1.163 287 P CA 1.271 64.418 63.100 0.078 0.000 0.883 287 P CB -0.752 30.982 31.700 0.057 0.000 0.788 288 P HA 0.093 nan 4.420 nan 0.000 0.231 288 P C 0.485 177.797 177.300 0.019 0.000 1.811 288 P CA 0.221 63.330 63.100 0.015 0.000 1.051 288 P CB -0.500 31.204 31.700 0.008 0.000 1.951 289 E N 0.853 121.068 120.200 0.025 0.000 2.171 289 E HA -0.136 4.399 4.350 0.307 0.000 0.197 289 E C 0.007 176.600 176.600 -0.012 0.000 0.997 289 E CA 1.096 57.516 56.400 0.032 0.000 0.810 289 E CB 0.252 29.959 29.700 0.012 0.000 0.738 289 E HN 0.195 nan 8.360 nan 0.000 0.467 290 T N -0.608 113.928 114.554 -0.031 0.000 2.893 290 T HA 0.366 4.900 4.350 0.307 0.000 0.293 290 T C -1.162 173.515 174.700 -0.037 0.000 1.027 290 T CA -0.643 61.424 62.100 -0.056 0.000 0.988 290 T CB 1.986 70.797 68.868 -0.095 0.000 1.043 290 T HN -0.140 nan 8.240 nan 0.000 0.461 291 T N 2.583 117.113 114.554 -0.041 0.000 2.876 291 T HA 0.596 5.131 4.350 0.307 0.000 0.289 291 T C -0.480 174.186 174.700 -0.057 0.000 1.014 291 T CA -0.532 61.551 62.100 -0.030 0.000 0.986 291 T CB 1.630 70.491 68.868 -0.011 0.000 1.021 291 T HN 0.536 nan 8.240 nan 0.000 0.458 292 T N 4.238 118.748 114.554 -0.074 0.000 2.859 292 T HA 0.684 5.218 4.350 0.307 0.000 0.281 292 T C -0.234 174.352 174.700 -0.191 0.000 1.005 292 T CA -0.976 61.016 62.100 -0.181 0.000 1.025 292 T CB 0.859 69.535 68.868 -0.319 0.000 0.977 292 T HN 0.217 nan 8.240 nan 0.000 0.458 293 R N 1.176 121.550 120.500 -0.210 0.000 2.808 293 R HA 0.554 5.079 4.340 0.307 0.000 0.272 293 R C -1.669 174.602 176.300 -0.047 0.000 0.995 293 R CA -0.959 55.099 56.100 -0.071 0.000 0.917 293 R CB 2.036 32.328 30.300 -0.015 0.000 1.217 293 R HN 0.688 nan 8.270 nan 0.000 0.471 294 F N 0.449 120.392 119.950 -0.011 0.000 2.493 294 F HA 0.561 5.272 4.527 0.306 0.000 0.329 294 F C -0.315 175.498 175.800 0.022 0.000 1.126 294 F CA -0.703 57.328 58.000 0.051 0.000 0.937 294 F CB 1.706 40.891 39.000 0.308 0.000 1.146 294 F HN 0.660 nan 8.300 nan 0.000 0.442 295 A N 5.044 127.495 122.820 -0.615 0.000 2.544 295 A HA 0.483 4.987 4.320 0.307 0.000 0.301 295 A C 0.978 178.183 177.584 -0.632 0.000 1.368 295 A CA 0.392 52.123 52.037 -0.511 0.000 1.045 295 A CB -0.351 18.370 19.000 -0.464 0.000 1.129 295 A HN 1.142 nan 8.150 nan 0.000 0.540 296 A N 2.666 125.319 122.820 -0.279 0.000 2.066 296 A HA 0.129 4.634 4.320 0.307 0.000 0.218 296 A C 0.822 178.245 177.584 -0.269 0.000 1.157 296 A CA 1.091 53.016 52.037 -0.186 0.000 0.670 296 A CB 0.005 19.081 19.000 0.126 0.000 0.804 296 A HN 0.776 nan 8.150 nan 0.000 0.453 297 E N -1.411 118.627 120.200 -0.270 0.000 2.429 297 E HA 0.338 4.873 4.350 0.307 0.000 0.276 297 E C -1.089 175.341 176.600 -0.283 0.000 0.953 297 E CA -0.827 55.419 56.400 -0.256 0.000 0.787 297 E CB 1.280 30.897 29.700 -0.138 0.000 1.307 297 E HN 0.363 nan 8.360 nan 0.000 0.458 298 E N 1.209 121.256 120.200 -0.255 0.000 2.384 298 E HA 0.210 4.745 4.350 0.307 0.000 0.266 298 E C -1.221 175.256 176.600 -0.206 0.000 1.012 298 E CA -0.156 56.099 56.400 -0.242 0.000 0.901 298 E CB 0.729 30.311 29.700 -0.197 0.000 0.967 298 E HN 0.139 nan 8.360 nan 0.000 0.435 299 V N 4.234 124.009 119.914 -0.232 0.000 2.709 299 V HA 0.240 4.545 4.120 0.307 0.000 0.308 299 V C -0.497 175.468 176.094 -0.216 0.000 1.062 299 V CA -0.823 61.359 62.300 -0.198 0.000 0.901 299 V CB 1.785 33.492 31.823 -0.193 0.000 1.003 299 V HN 0.769 nan 8.190 nan 0.000 0.425 300 E N 4.040 124.140 120.200 -0.166 0.000 2.109 300 E HA 0.459 4.994 4.350 0.307 0.000 0.278 300 E C -1.368 175.146 176.600 -0.143 0.000 0.954 300 E CA -0.569 55.734 56.400 -0.162 0.000 0.779 300 E CB 0.931 30.560 29.700 -0.119 0.000 1.093 300 E HN 0.452 nan 8.360 nan 0.000 0.401 301 I N 3.949 124.420 120.570 -0.165 0.000 2.382 301 I HA 0.261 4.615 4.170 0.307 0.000 0.285 301 I C 0.844 176.905 176.117 -0.092 0.000 1.007 301 I CA -0.357 60.868 61.300 -0.125 0.000 1.142 301 I CB 0.634 38.550 38.000 -0.140 0.000 1.289 301 I HN 0.864 nan 8.210 nan 0.000 0.453 302 G N 4.868 113.630 108.800 -0.063 0.000 2.338 302 G HA2 -0.097 4.047 3.960 0.307 0.000 0.296 302 G HA3 -0.097 4.047 3.960 0.307 0.000 0.296 302 G C 1.047 175.926 174.900 -0.036 0.000 1.040 302 G CA 0.780 45.857 45.100 -0.038 0.000 1.004 302 G HN 1.582 nan 8.290 nan 0.000 0.509 303 G N -3.224 105.547 108.800 -0.048 0.000 2.184 303 G HA2 -0.034 4.110 3.960 0.307 0.000 0.264 303 G HA3 -0.034 4.110 3.960 0.307 0.000 0.264 303 G C 0.368 175.235 174.900 -0.055 0.000 0.975 303 G CA 0.658 45.733 45.100 -0.043 0.000 0.642 303 G HN 1.726 nan 8.290 nan 0.000 0.536 304 V N 0.856 120.718 119.914 -0.085 0.000 2.448 304 V HA 0.764 5.069 4.120 0.307 0.000 0.295 304 V C 0.629 176.584 176.094 -0.231 0.000 1.025 304 V CA -0.429 61.797 62.300 -0.124 0.000 0.859 304 V CB 1.635 33.401 31.823 -0.096 0.000 0.988 304 V HN 1.070 nan 8.190 nan 0.000 0.431 305 A N 6.642 129.323 122.820 -0.232 0.000 2.350 305 A HA 0.612 5.117 4.320 0.307 0.000 0.293 305 A C -0.156 177.135 177.584 -0.489 0.000 1.231 305 A CA -0.146 51.724 52.037 -0.280 0.000 0.883 305 A CB -0.296 18.599 19.000 -0.175 0.000 1.133 305 A HN 0.797 nan 8.150 nan 0.000 0.533 306 I N 5.258 125.477 120.570 -0.584 0.000 2.301 306 I HA 0.181 4.535 4.170 0.307 0.000 0.292 306 I C -2.045 173.782 176.117 -0.484 0.000 1.046 306 I CA -1.930 58.863 61.300 -0.845 0.000 1.282 306 I CB 1.380 38.898 38.000 -0.805 0.000 1.409 306 I HN 0.430 nan 8.210 nan 0.000 0.484 307 P HA -0.077 nan 4.420 nan 0.000 0.267 307 P C -0.552 176.599 177.300 -0.248 0.000 1.201 307 P CA -0.148 62.842 63.100 -0.183 0.000 0.775 307 P CB 0.423 32.116 31.700 -0.011 0.000 0.854 308 Q N 1.896 121.515 119.800 -0.301 0.000 2.361 308 Q HA -0.041 4.484 4.340 0.307 0.000 0.276 308 Q C -0.443 175.263 176.000 -0.491 0.000 1.022 308 Q CA 0.143 55.629 55.803 -0.529 0.000 0.898 308 Q CB -0.094 28.231 28.738 -0.688 0.000 1.246 308 Q HN 0.415 nan 8.270 nan 0.000 0.410 309 Y N -0.301 119.708 120.300 -0.485 0.000 4.786 309 Y HA -0.263 4.471 4.550 0.307 0.000 0.243 309 Y C -0.060 175.544 175.900 -0.493 0.000 1.027 309 Y CA 0.705 58.443 58.100 -0.605 0.000 2.052 309 Y CB -2.248 36.139 38.460 -0.122 0.000 1.578 309 Y HN 0.398 nan 8.280 nan 0.000 0.655 310 S N -0.158 115.347 115.700 -0.325 0.000 2.617 310 S HA 0.558 5.212 4.470 0.307 0.000 0.269 310 S C 0.680 175.215 174.600 -0.107 0.000 1.292 310 S CA -0.402 57.759 58.200 -0.064 0.000 1.010 310 S CB 1.438 64.687 63.200 0.081 0.000 0.944 310 S HN 0.200 nan 8.310 nan 0.000 0.536 311 T N 2.222 116.839 114.554 0.104 0.000 2.767 311 T HA 0.467 5.001 4.350 0.307 0.000 0.288 311 T C -0.573 174.174 174.700 0.078 0.000 0.963 311 T CA -0.405 61.755 62.100 0.100 0.000 1.019 311 T CB 0.690 69.632 68.868 0.124 0.000 0.923 311 T HN 0.308 nan 8.240 nan 0.000 0.468 312 V N 5.455 125.366 119.914 -0.005 0.000 2.409 312 V HA 0.415 4.719 4.120 0.307 0.000 0.291 312 V C -0.231 175.839 176.094 -0.040 0.000 1.020 312 V CA -0.827 61.480 62.300 0.012 0.000 0.848 312 V CB 1.473 33.277 31.823 -0.031 0.000 0.990 312 V HN 0.738 nan 8.190 nan 0.000 0.430 313 L N 5.562 126.772 121.223 -0.022 0.000 2.272 313 L HA 0.446 4.970 4.340 0.307 0.000 0.284 313 L C -0.350 176.483 176.870 -0.061 0.000 1.045 313 L CA -0.596 54.204 54.840 -0.066 0.000 0.842 313 L CB 1.490 43.485 42.059 -0.107 0.000 1.224 313 L HN 0.384 nan 8.230 nan 0.000 0.430 314 V N 3.257 123.135 119.914 -0.061 0.000 2.405 314 V HA 0.177 4.481 4.120 0.307 0.000 0.264 314 V C 0.972 177.020 176.094 -0.076 0.000 1.048 314 V CA -0.313 61.951 62.300 -0.059 0.000 0.966 314 V CB 1.104 32.900 31.823 -0.046 0.000 1.015 314 V HN 0.820 nan 8.190 nan 0.000 0.477 315 A N 4.394 127.148 122.820 -0.110 0.000 2.805 315 A HA 0.261 4.765 4.320 0.307 0.000 0.301 315 A C 1.213 178.731 177.584 -0.111 0.000 1.557 315 A CA -0.384 51.555 52.037 -0.163 0.000 1.254 315 A CB -0.708 18.081 19.000 -0.351 0.000 1.114 315 A HN 0.885 nan 8.150 nan 0.000 0.553 316 N N 2.079 120.755 118.700 -0.041 0.000 2.094 316 N HA -0.176 4.749 4.740 0.307 0.000 0.191 316 N C 1.925 177.471 175.510 0.061 0.000 1.023 316 N CA 2.128 55.191 53.050 0.021 0.000 0.857 316 N CB -0.169 38.341 38.487 0.038 0.000 1.013 316 N HN 0.651 nan 8.380 nan 0.000 0.426 317 G N 0.039 108.878 108.800 0.066 0.000 2.418 317 G HA2 -0.188 3.957 3.960 0.307 0.000 0.217 317 G HA3 -0.188 3.957 3.960 0.307 0.000 0.217 317 G C 1.570 176.623 174.900 0.254 0.000 1.158 317 G CA 1.024 46.246 45.100 0.203 0.000 0.771 317 G HN 0.456 nan 8.290 nan 0.000 0.545 318 A N 1.179 123.984 122.820 -0.026 0.000 1.898 318 A HA 0.328 4.832 4.320 0.307 0.000 0.216 318 A C 2.834 180.457 177.584 0.066 0.000 1.181 318 A CA 2.125 54.109 52.037 -0.089 0.000 0.620 318 A CB -0.838 17.763 19.000 -0.665 0.000 0.819 318 A HN 0.800 nan 8.150 nan 0.000 0.442 319 A N 0.420 123.282 122.820 0.070 0.000 1.940 319 A HA -0.225 4.279 4.320 0.307 0.000 0.219 319 A C 1.803 179.611 177.584 0.372 0.000 1.176 319 A CA 1.893 54.054 52.037 0.208 0.000 0.631 319 A CB -0.699 18.394 19.000 0.155 0.000 0.814 319 A HN 0.524 nan 8.150 nan 0.000 0.446 320 N N -0.383 118.482 118.700 0.275 0.000 2.443 320 N HA -0.077 4.847 4.740 0.307 0.000 0.184 320 N C 1.012 176.548 175.510 0.044 0.000 1.037 320 N CA 0.836 53.998 53.050 0.186 0.000 0.896 320 N CB -0.214 38.271 38.487 -0.004 0.000 0.959 320 N HN 0.529 nan 8.380 nan 0.000 0.442 321 R N 0.112 120.658 120.500 0.076 0.000 2.652 321 R HA 0.124 4.649 4.340 0.307 0.000 0.372 321 R C -0.558 175.774 176.300 0.054 0.000 1.104 321 R CA -0.282 55.810 56.100 -0.013 0.000 1.072 321 R CB 0.459 30.669 30.300 -0.151 0.000 1.367 321 R HN 0.015 nan 8.270 nan 0.000 0.577 322 D N 1.873 122.378 120.400 0.175 0.000 2.336 322 D HA 0.055 4.879 4.640 0.307 0.000 0.249 322 D C -1.348 174.989 176.300 0.063 0.000 1.213 322 D CA -2.172 51.902 54.000 0.124 0.000 0.870 322 D CB 1.530 42.442 40.800 0.187 0.000 1.076 322 D HN -0.002 nan 8.370 nan 0.000 0.483 323 P HA -0.200 nan 4.420 nan 0.000 0.217 323 P C 1.237 178.511 177.300 -0.044 0.000 1.148 323 P CA 1.037 64.122 63.100 -0.026 0.000 0.828 323 P CB 0.097 31.775 31.700 -0.037 0.000 0.783 324 S N -1.268 114.405 115.700 -0.045 0.000 2.447 324 S HA -0.147 4.507 4.470 0.307 0.000 0.233 324 S C 2.176 176.671 174.600 -0.174 0.000 1.006 324 S CA 0.974 59.130 58.200 -0.075 0.000 0.957 324 S CB -0.647 62.532 63.200 -0.036 0.000 0.773 324 S HN 0.092 nan 8.310 nan 0.000 0.507 325 Q N 0.367 120.004 119.800 -0.273 0.000 2.387 325 Q HA 0.385 4.909 4.340 0.307 0.000 0.212 325 Q C -0.699 174.842 176.000 -0.764 0.000 0.925 325 Q CA 0.604 56.014 55.803 -0.656 0.000 0.901 325 Q CB 0.237 28.302 28.738 -1.123 0.000 1.020 325 Q HN 0.552 nan 8.270 nan 0.000 0.545 326 F N 2.793 122.640 119.950 -0.170 0.000 2.513 326 F HA 0.452 5.177 4.527 0.329 0.000 0.358 326 F C -2.230 173.508 175.800 -0.103 0.000 1.118 326 F CA -2.796 55.131 58.000 -0.121 0.000 1.037 326 F CB 1.679 40.621 39.000 -0.096 0.000 1.276 326 F HN -0.041 nan 8.300 nan 0.000 0.446 327 P HA 0.010 nan 4.420 nan 0.000 0.267 327 P C -0.111 177.196 177.300 0.010 0.000 1.205 327 P CA 0.348 63.450 63.100 0.005 0.000 0.765 327 P CB 1.040 32.732 31.700 -0.012 0.000 0.828 328 D N 3.566 123.955 120.400 -0.019 0.000 2.760 328 D HA -0.114 4.710 4.640 0.307 0.000 0.244 328 D C -1.181 175.104 176.300 -0.024 0.000 1.123 328 D CA 0.276 54.263 54.000 -0.021 0.000 0.719 328 D CB -0.796 40.004 40.800 -0.001 0.000 1.045 328 D HN 0.329 nan 8.370 nan 0.000 0.426 329 P HA -0.138 nan 4.420 nan 0.000 0.228 329 P C 0.785 178.057 177.300 -0.047 0.000 1.151 329 P CA 0.963 63.995 63.100 -0.113 0.000 0.770 329 P CB 0.092 31.666 31.700 -0.211 0.000 0.786 330 H N -1.115 118.007 119.070 0.086 0.000 2.529 330 H HA 0.247 4.984 4.556 0.302 0.000 0.277 330 H C 0.709 176.184 175.328 0.246 0.000 1.004 330 H CA -0.129 56.019 56.048 0.166 0.000 1.167 330 H CB 0.061 29.860 29.762 0.062 0.000 1.445 330 H HN 0.149 nan 8.280 nan 0.000 0.554 331 R N 0.964 121.589 120.500 0.210 0.000 2.229 331 R HA 0.109 4.633 4.340 0.307 0.000 0.332 331 R C -0.978 175.245 176.300 -0.128 0.000 0.989 331 R CA -0.784 55.351 56.100 0.059 0.000 0.842 331 R CB 0.099 30.410 30.300 0.018 0.000 1.119 331 R HN -0.084 nan 8.270 nan 0.000 0.456 332 F N 4.990 124.591 119.950 -0.582 0.000 2.490 332 F HA 0.156 4.715 4.527 0.054 0.000 0.357 332 F C -0.729 174.785 175.800 -0.478 0.000 1.166 332 F CA -0.266 57.200 58.000 -0.890 0.000 1.116 332 F CB 0.281 38.409 39.000 -1.452 0.000 1.171 332 F HN 0.470 nan 8.300 nan 0.000 0.576 333 D N 5.280 125.243 120.400 -0.729 0.000 2.471 333 D HA 0.154 4.979 4.640 0.307 0.000 0.245 333 D C 0.666 176.609 176.300 -0.595 0.000 1.116 333 D CA -0.445 53.206 54.000 -0.582 0.000 0.853 333 D CB 1.500 42.129 40.800 -0.285 0.000 1.123 333 D HN 0.338 nan 8.370 nan 0.000 0.540 334 V N 1.952 121.473 119.914 -0.655 0.000 3.444 334 V HA 0.012 4.316 4.120 0.307 0.000 0.271 334 V C 1.215 177.173 176.094 -0.226 0.000 1.188 334 V CA 1.790 63.828 62.300 -0.438 0.000 1.168 334 V CB -1.089 30.515 31.823 -0.366 0.000 0.810 334 V HN 0.642 nan 8.190 nan 0.000 0.500 335 T N -1.533 112.904 114.554 -0.195 0.000 2.990 335 T HA 0.187 4.721 4.350 0.307 0.000 0.250 335 T C 1.106 175.759 174.700 -0.078 0.000 1.041 335 T CA 0.004 62.038 62.100 -0.110 0.000 1.010 335 T CB -0.123 68.690 68.868 -0.093 0.000 1.003 335 T HN 0.788 nan 8.240 nan 0.000 0.499 336 R N 1.701 122.145 120.500 -0.094 0.000 2.784 336 R HA 0.165 4.689 4.340 0.307 0.000 0.266 336 R C -0.835 175.469 176.300 0.005 0.000 1.044 336 R CA -0.374 55.701 56.100 -0.041 0.000 1.151 336 R CB -0.064 30.209 30.300 -0.045 0.000 1.037 336 R HN -0.018 nan 8.270 nan 0.000 0.478 337 D N 1.285 121.713 120.400 0.046 0.000 2.371 337 D HA 0.006 4.830 4.640 0.307 0.000 0.256 337 D C 0.422 176.824 176.300 0.169 0.000 1.193 337 D CA 0.074 54.123 54.000 0.083 0.000 0.881 337 D CB 1.182 42.020 40.800 0.064 0.000 1.143 337 D HN 0.630 nan 8.370 nan 0.000 0.473 338 T N 0.957 115.622 114.554 0.186 0.000 3.105 338 T HA 0.145 4.679 4.350 0.307 0.000 0.253 338 T C 1.060 176.022 174.700 0.436 0.000 1.047 338 T CA -0.550 61.720 62.100 0.285 0.000 0.944 338 T CB -0.017 68.954 68.868 0.172 0.000 1.016 338 T HN 0.250 nan 8.240 nan 0.000 0.544 339 R N 0.950 121.627 120.500 0.295 0.000 2.538 339 R HA 0.350 4.874 4.340 0.307 0.000 0.282 339 R C 1.488 177.932 176.300 0.241 0.000 1.009 339 R CA 1.589 57.821 56.100 0.219 0.000 1.063 339 R CB -0.362 30.007 30.300 0.115 0.000 0.945 339 R HN 0.534 nan 8.270 nan 0.000 0.414 340 G N 2.600 111.520 108.800 0.201 0.000 2.195 340 G HA2 -0.295 3.850 3.960 0.307 0.000 0.246 340 G HA3 -0.295 3.850 3.960 0.307 0.000 0.246 340 G C 0.165 175.331 174.900 0.443 0.000 0.984 340 G CA 0.428 45.675 45.100 0.245 0.000 0.633 340 G HN 0.967 nan 8.290 nan 0.000 0.525 341 H N 0.237 119.635 119.070 0.547 0.000 2.836 341 H HA 0.350 5.106 4.556 0.333 0.000 0.368 341 H C 0.927 176.481 175.328 0.377 0.000 1.164 341 H CA 0.334 56.681 56.048 0.497 0.000 1.425 341 H CB 0.642 30.510 29.762 0.176 0.000 1.414 341 H HN 0.197 nan 8.280 nan 0.000 0.614 342 L N 1.970 123.437 121.223 0.405 0.000 2.791 342 L HA 0.067 4.591 4.340 0.307 0.000 0.239 342 L C 1.647 178.635 176.870 0.197 0.000 1.203 342 L CA -0.161 54.822 54.840 0.239 0.000 1.002 342 L CB 0.206 42.366 42.059 0.168 0.000 1.295 342 L HN 0.554 nan 8.230 nan 0.000 0.504 343 S N 0.014 115.903 115.700 0.316 0.000 2.447 343 S HA -0.004 4.650 4.470 0.307 0.000 0.233 343 S C 1.290 175.779 174.600 -0.185 0.000 1.006 343 S CA 1.246 59.471 58.200 0.041 0.000 0.957 343 S CB -0.099 63.054 63.200 -0.078 0.000 0.773 343 S HN 0.422 nan 8.310 nan 0.000 0.507 344 F N 1.093 121.061 119.950 0.030 0.000 2.639 344 F HA 0.392 5.105 4.527 0.309 0.000 0.302 344 F C 1.477 177.016 175.800 -0.434 0.000 1.097 344 F CA 0.034 57.867 58.000 -0.279 0.000 1.294 344 F CB 0.430 39.128 39.000 -0.504 0.000 1.027 344 F HN 0.316 nan 8.300 nan 0.000 0.550 345 G N 1.149 109.961 108.800 0.021 0.000 2.548 345 G HA2 0.015 4.159 3.960 0.307 0.000 0.208 345 G HA3 0.015 4.159 3.960 0.307 0.000 0.208 345 G C -1.155 173.899 174.900 0.257 0.000 1.308 345 G CA -0.567 44.588 45.100 0.092 0.000 0.924 345 G HN 0.352 nan 8.290 nan 0.000 0.540 346 Q N -0.809 119.169 119.800 0.296 0.000 2.518 346 Q HA 0.659 5.183 4.340 0.307 0.000 0.254 346 Q C 0.259 176.387 176.000 0.215 0.000 0.962 346 Q CA 1.545 57.518 55.803 0.283 0.000 0.982 346 Q CB 1.040 29.860 28.738 0.138 0.000 1.516 346 Q HN 2.879 nan 8.270 nan 0.000 0.426 347 G N 2.550 111.455 108.800 0.175 0.000 2.484 347 G HA2 -0.241 3.904 3.960 0.307 0.000 0.225 347 G HA3 -0.241 3.904 3.960 0.307 0.000 0.225 347 G C 0.724 175.688 174.900 0.106 0.000 1.250 347 G CA 0.256 45.415 45.100 0.099 0.000 0.926 347 G HN 1.497 nan 8.290 nan 0.000 0.581 348 I N -2.469 118.108 120.570 0.011 0.000 2.361 348 I HA 0.022 4.376 4.170 0.307 0.000 0.251 348 I C 1.761 177.837 176.117 -0.069 0.000 1.133 348 I CA 2.043 63.302 61.300 -0.067 0.000 1.413 348 I CB -0.338 37.514 38.000 -0.247 0.000 1.073 348 I HN 0.456 nan 8.210 nan 0.000 0.424 349 H N 0.841 119.970 119.070 0.098 0.000 2.555 349 H HA 0.206 4.946 4.556 0.306 0.000 0.283 349 H C 0.027 175.479 175.328 0.207 0.000 1.037 349 H CA -0.487 55.651 56.048 0.150 0.000 1.169 349 H CB -0.489 29.313 29.762 0.066 0.000 1.375 349 H HN 0.336 nan 8.280 nan 0.000 0.582 350 F N 1.545 121.596 119.950 0.169 0.000 2.635 350 F HA -0.112 4.598 4.527 0.306 0.000 0.379 350 F C 0.899 176.793 175.800 0.157 0.000 1.094 350 F CA -0.264 57.826 58.000 0.149 0.000 1.300 350 F CB 0.477 39.531 39.000 0.089 0.000 1.035 350 F HN 0.139 nan 8.300 nan 0.000 0.581 351 C N 9.245 128.270 119.300 -0.459 0.000 2.409 351 C HA -0.063 4.581 4.460 0.307 0.000 0.399 351 C C 1.682 176.632 174.990 -0.067 0.000 1.505 351 C CA -0.206 58.688 59.018 -0.205 0.000 1.435 351 C CB -1.475 26.163 27.740 -0.171 0.000 2.462 351 C HN 0.999 nan 8.230 nan 0.000 0.619 352 M N 4.504 124.146 119.600 0.070 0.000 2.374 352 M HA 0.006 4.671 4.480 0.307 0.000 0.264 352 M C 2.068 178.324 176.300 -0.074 0.000 1.067 352 M CA 1.734 57.062 55.300 0.047 0.000 1.103 352 M CB -0.290 32.397 32.600 0.145 0.000 1.402 352 M HN 0.925 nan 8.290 nan 0.000 0.444 353 G N -0.499 108.320 108.800 0.032 0.000 3.088 353 G HA2 -0.036 4.109 3.960 0.307 0.000 0.212 353 G HA3 -0.036 4.109 3.960 0.307 0.000 0.212 353 G C 1.355 176.217 174.900 -0.063 0.000 1.173 353 G CA -0.236 44.893 45.100 0.049 0.000 0.779 353 G HN 0.372 nan 8.290 nan 0.000 0.540 354 R N 0.930 121.278 120.500 -0.253 0.000 2.113 354 R HA -0.128 4.397 4.340 0.307 0.000 0.244 354 R C -0.328 175.821 176.300 -0.252 0.000 1.142 354 R CA 1.921 57.699 56.100 -0.537 0.000 0.953 354 R CB -0.745 29.093 30.300 -0.770 0.000 0.860 354 R HN 0.273 nan 8.270 nan 0.000 0.438 355 P HA -0.160 nan 4.420 nan 0.000 0.215 355 P C 1.232 178.522 177.300 -0.016 0.000 1.153 355 P CA 0.954 64.002 63.100 -0.086 0.000 0.853 355 P CB -0.078 31.553 31.700 -0.115 0.000 0.788 356 L N -0.514 120.714 121.223 0.008 0.000 2.056 356 L HA -0.012 4.512 4.340 0.307 0.000 0.207 356 L C 2.215 179.149 176.870 0.106 0.000 1.078 356 L CA 1.886 56.778 54.840 0.087 0.000 0.749 356 L CB -1.513 40.647 42.059 0.170 0.000 0.901 356 L HN -0.136 nan 8.230 nan 0.000 0.433 357 A N -0.480 122.413 122.820 0.121 0.000 1.902 357 A HA -0.244 4.261 4.320 0.307 0.000 0.217 357 A C 2.343 180.039 177.584 0.187 0.000 1.181 357 A CA 2.052 54.200 52.037 0.185 0.000 0.623 357 A CB -0.521 18.662 19.000 0.305 0.000 0.818 357 A HN 0.498 nan 8.150 nan 0.000 0.443 358 K N -0.588 119.907 120.400 0.159 0.000 2.097 358 K HA 0.028 4.533 4.320 0.307 0.000 0.205 358 K C 1.965 178.639 176.600 0.123 0.000 1.050 358 K CA 1.036 57.418 56.287 0.159 0.000 0.938 358 K CB -0.290 32.283 32.500 0.122 0.000 0.718 358 K HN 0.511 nan 8.250 nan 0.000 0.442 359 L N 1.386 122.668 121.223 0.097 0.000 1.994 359 L HA -0.237 4.287 4.340 0.307 0.000 0.208 359 L C 2.023 178.951 176.870 0.096 0.000 1.071 359 L CA 1.699 56.591 54.840 0.087 0.000 0.745 359 L CB -0.130 41.973 42.059 0.074 0.000 0.892 359 L HN 0.263 nan 8.230 nan 0.000 0.431 360 E N -0.536 119.723 120.200 0.098 0.000 2.051 360 E HA -0.181 4.353 4.350 0.307 0.000 0.192 360 E C 1.989 178.649 176.600 0.099 0.000 0.991 360 E CA 1.043 57.494 56.400 0.086 0.000 0.799 360 E CB -0.341 29.406 29.700 0.079 0.000 0.748 360 E HN 0.673 nan 8.360 nan 0.000 0.449 361 G N 1.219 110.095 108.800 0.127 0.000 2.418 361 G HA2 -0.285 3.860 3.960 0.307 0.000 0.217 361 G HA3 -0.285 3.860 3.960 0.307 0.000 0.217 361 G C 1.325 176.321 174.900 0.161 0.000 1.158 361 G CA 0.750 45.939 45.100 0.149 0.000 0.771 361 G HN 0.196 nan 8.290 nan 0.000 0.545 362 E N -0.201 120.087 120.200 0.146 0.000 2.028 362 E HA -0.078 4.456 4.350 0.307 0.000 0.191 362 E C 2.779 179.466 176.600 0.145 0.000 0.988 362 E CA 1.073 57.558 56.400 0.141 0.000 0.799 362 E CB -0.183 29.587 29.700 0.117 0.000 0.755 362 E HN 0.249 nan 8.360 nan 0.000 0.447 363 V N 1.402 121.393 119.914 0.129 0.000 2.343 363 V HA -0.295 4.009 4.120 0.307 0.000 0.247 363 V C 2.253 178.452 176.094 0.174 0.000 1.051 363 V CA 1.871 64.249 62.300 0.130 0.000 1.036 363 V CB -0.773 31.113 31.823 0.105 0.000 0.654 363 V HN 0.336 nan 8.190 nan 0.000 0.451 364 A N -0.047 122.881 122.820 0.179 0.000 1.845 364 A HA -0.154 4.351 4.320 0.307 0.000 0.215 364 A C 2.203 180.004 177.584 0.361 0.000 1.195 364 A CA 1.900 54.097 52.037 0.265 0.000 0.616 364 A CB -0.637 18.426 19.000 0.104 0.000 0.832 364 A HN 0.477 nan 8.150 nan 0.000 0.443 365 L N -1.106 120.305 121.223 0.313 0.000 2.083 365 L HA -0.168 4.357 4.340 0.307 0.000 0.209 365 L C 2.805 179.911 176.870 0.393 0.000 1.083 365 L CA 1.699 56.773 54.840 0.390 0.000 0.752 365 L CB -0.463 41.842 42.059 0.411 0.000 0.899 365 L HN 0.474 nan 8.230 nan 0.000 0.433 366 R N 0.340 121.007 120.500 0.277 0.000 2.075 366 R HA -0.156 4.368 4.340 0.307 0.000 0.232 366 R C 2.324 178.736 176.300 0.187 0.000 1.126 366 R CA 1.403 57.636 56.100 0.221 0.000 0.963 366 R CB -0.179 30.215 30.300 0.156 0.000 0.858 366 R HN 0.330 nan 8.270 nan 0.000 0.435 367 A N 1.100 124.026 122.820 0.177 0.000 1.897 367 A HA -0.094 4.410 4.320 0.307 0.000 0.215 367 A C 2.135 179.751 177.584 0.053 0.000 1.181 367 A CA 0.825 52.934 52.037 0.121 0.000 0.620 367 A CB -0.531 18.571 19.000 0.170 0.000 0.821 367 A HN 0.392 nan 8.150 nan 0.000 0.443 368 L N -1.480 119.768 121.223 0.043 0.000 1.955 368 L HA -0.184 4.341 4.340 0.307 0.000 0.213 368 L C 2.485 179.279 176.870 -0.126 0.000 1.072 368 L CA 2.027 56.764 54.840 -0.172 0.000 0.755 368 L CB -0.443 41.399 42.059 -0.362 0.000 0.888 368 L HN 0.480 nan 8.230 nan 0.000 0.432 369 F N -0.617 119.403 119.950 0.117 0.000 2.293 369 F HA -0.089 4.614 4.527 0.294 0.000 0.300 369 F C 2.350 178.182 175.800 0.054 0.000 1.086 369 F CA 0.875 58.936 58.000 0.101 0.000 1.375 369 F CB -0.747 38.307 39.000 0.090 0.000 1.045 369 F HN 0.141 nan 8.300 nan 0.000 0.516 370 G N -0.271 108.628 108.800 0.166 0.000 2.421 370 G HA2 -0.130 4.015 3.960 0.307 0.000 0.217 370 G HA3 -0.130 4.015 3.960 0.307 0.000 0.217 370 G C 1.900 176.772 174.900 -0.047 0.000 1.143 370 G CA 0.191 45.332 45.100 0.068 0.000 0.784 370 G HN 0.109 nan 8.290 nan 0.000 0.541 371 R N -0.479 119.928 120.500 -0.154 0.000 2.127 371 R HA 0.119 4.644 4.340 0.307 0.000 0.217 371 R C -0.113 175.762 176.300 -0.707 0.000 1.074 371 R CA 0.331 56.145 56.100 -0.476 0.000 0.991 371 R CB -0.153 29.737 30.300 -0.683 0.000 0.895 371 R HN 0.391 nan 8.270 nan 0.000 0.450 372 F N 0.689 120.609 119.950 -0.051 0.000 2.453 372 F HA 0.358 5.065 4.527 0.302 0.000 0.358 372 F C -1.672 174.145 175.800 0.028 0.000 1.129 372 F CA -2.468 55.508 58.000 -0.040 0.000 1.200 372 F CB 1.653 40.591 39.000 -0.104 0.000 1.431 372 F HN -0.175 nan 8.300 nan 0.000 0.503 373 P HA -0.116 nan 4.420 nan 0.000 0.222 373 P C 1.076 178.457 177.300 0.134 0.000 1.147 373 P CA 0.968 64.144 63.100 0.127 0.000 0.790 373 P CB 0.416 32.155 31.700 0.065 0.000 0.780 374 A N -1.508 121.394 122.820 0.138 0.000 2.500 374 A HA 0.208 4.713 4.320 0.307 0.000 0.267 374 A C 0.445 178.091 177.584 0.104 0.000 1.290 374 A CA -0.367 51.733 52.037 0.105 0.000 0.928 374 A CB -0.825 18.223 19.000 0.079 0.000 1.066 374 A HN 0.094 nan 8.150 nan 0.000 0.516 375 L N 2.162 123.470 121.223 0.141 0.000 2.525 375 L HA 0.348 4.873 4.340 0.307 0.000 0.278 375 L C 0.382 177.298 176.870 0.076 0.000 1.218 375 L CA 0.888 55.771 54.840 0.072 0.000 0.878 375 L CB 0.440 42.531 42.059 0.054 0.000 1.127 375 L HN 0.397 nan 8.230 nan 0.000 0.492 376 S N 4.123 119.836 115.700 0.021 0.000 2.618 376 S HA 0.605 5.260 4.470 0.307 0.000 0.277 376 S C -0.866 173.733 174.600 -0.001 0.000 1.138 376 S CA -1.103 57.112 58.200 0.025 0.000 0.844 376 S CB 1.060 64.269 63.200 0.016 0.000 1.127 376 S HN 0.592 nan 8.310 nan 0.000 0.474 377 L N 2.273 123.500 121.223 0.006 0.000 2.410 377 L HA 0.520 5.045 4.340 0.307 0.000 0.273 377 L C 1.468 178.329 176.870 -0.015 0.000 1.144 377 L CA 0.730 55.571 54.840 0.001 0.000 0.863 377 L CB 0.460 42.532 42.059 0.021 0.000 1.140 377 L HN 1.067 nan 8.230 nan 0.000 0.463 378 G N 5.916 114.694 108.800 -0.037 0.000 2.443 378 G HA2 -0.034 4.111 3.960 0.307 0.000 0.219 378 G HA3 -0.034 4.111 3.960 0.307 0.000 0.219 378 G C 0.625 175.512 174.900 -0.022 0.000 1.131 378 G CA 0.908 45.984 45.100 -0.039 0.000 0.775 378 G HN 0.672 nan 8.290 nan 0.000 0.547 379 I N -2.928 117.633 120.570 -0.015 0.000 3.133 379 I HA 0.596 4.950 4.170 0.307 0.000 0.311 379 I C -1.095 175.037 176.117 0.024 0.000 1.072 379 I CA -1.328 59.974 61.300 0.004 0.000 1.015 379 I CB 1.742 39.742 38.000 -0.000 0.000 1.233 379 I HN -0.234 nan 8.210 nan 0.000 0.473 380 D N 1.485 121.904 120.400 0.033 0.000 2.351 380 D HA 0.374 5.199 4.640 0.307 0.000 0.251 380 D C 1.057 177.406 176.300 0.081 0.000 1.137 380 D CA 0.328 54.354 54.000 0.044 0.000 0.879 380 D CB 1.925 42.747 40.800 0.037 0.000 1.181 380 D HN 0.715 nan 8.370 nan 0.000 0.448 381 A N 4.123 127.003 122.820 0.100 0.000 1.958 381 A HA -0.240 4.265 4.320 0.307 0.000 0.221 381 A C 1.639 179.360 177.584 0.229 0.000 1.178 381 A CA 1.720 53.879 52.037 0.202 0.000 0.642 381 A CB -0.374 18.700 19.000 0.124 0.000 0.816 381 A HN 0.734 nan 8.150 nan 0.000 0.453 382 D N -0.101 120.386 120.400 0.145 0.000 2.348 382 D HA -0.061 4.763 4.640 0.307 0.000 0.216 382 D C 0.510 176.882 176.300 0.122 0.000 0.970 382 D CA 0.820 54.903 54.000 0.138 0.000 0.889 382 D CB -0.220 40.634 40.800 0.090 0.000 0.912 382 D HN 0.517 nan 8.370 nan 0.000 0.524 383 D N 0.426 120.883 120.400 0.095 0.000 2.349 383 D HA 0.024 4.849 4.640 0.307 0.000 0.214 383 D C 0.342 176.659 176.300 0.028 0.000 1.063 383 D CA 0.025 54.063 54.000 0.063 0.000 0.847 383 D CB 1.458 42.286 40.800 0.047 0.000 0.933 383 D HN -0.013 nan 8.370 nan 0.000 0.513 384 V N 2.351 122.264 119.914 -0.001 0.000 2.485 384 V HA -0.026 4.278 4.120 0.307 0.000 0.287 384 V C 0.649 176.610 176.094 -0.221 0.000 1.022 384 V CA -0.123 62.059 62.300 -0.197 0.000 1.067 384 V CB 1.298 32.856 31.823 -0.443 0.000 0.967 384 V HN -0.128 nan 8.190 nan 0.000 0.479 385 V N 5.814 125.608 119.914 -0.200 0.000 2.389 385 V HA 0.194 4.499 4.120 0.307 0.000 0.264 385 V C -0.212 175.780 176.094 -0.171 0.000 1.049 385 V CA -0.584 61.663 62.300 -0.088 0.000 0.932 385 V CB 0.127 31.935 31.823 -0.025 0.000 1.011 385 V HN 0.839 nan 8.190 nan 0.000 0.475 386 W N 4.055 125.374 121.300 0.030 0.000 2.351 386 W HA 0.538 5.362 4.660 0.275 0.000 0.311 386 W C 0.794 177.297 176.519 -0.027 0.000 1.168 386 W CA -0.636 56.730 57.345 0.035 0.000 1.200 386 W CB 0.644 30.214 29.460 0.184 0.000 1.221 386 W HN 0.455 nan 8.180 nan 0.000 0.519 387 R N 2.916 123.517 120.500 0.170 0.000 2.585 387 R HA 0.052 4.577 4.340 0.307 0.000 0.275 387 R C 0.307 176.604 176.300 -0.005 0.000 1.018 387 R CA 0.116 56.250 56.100 0.058 0.000 1.072 387 R CB 0.376 30.706 30.300 0.050 0.000 0.953 387 R HN 0.475 nan 8.270 nan 0.000 0.419 388 R N 2.548 123.002 120.500 -0.077 0.000 2.891 388 R HA 0.091 4.615 4.340 0.307 0.000 0.248 388 R C -0.816 175.399 176.300 -0.141 0.000 1.439 388 R CA 0.080 56.047 56.100 -0.222 0.000 1.288 388 R CB 0.571 30.605 30.300 -0.443 0.000 1.212 388 R HN 0.405 nan 8.270 nan 0.000 0.605 389 S N 1.803 117.482 115.700 -0.035 0.000 2.572 389 S HA 0.285 4.939 4.470 0.307 0.000 0.274 389 S C 0.493 175.080 174.600 -0.021 0.000 1.150 389 S CA -0.748 57.458 58.200 0.010 0.000 0.944 389 S CB 1.084 64.283 63.200 -0.001 0.000 1.071 389 S HN 0.510 nan 8.310 nan 0.000 0.479 390 L N 4.073 125.302 121.223 0.009 0.000 2.477 390 L HA 0.201 4.725 4.340 0.307 0.000 0.220 390 L C 1.934 178.777 176.870 -0.044 0.000 1.106 390 L CA 0.291 55.081 54.840 -0.082 0.000 0.851 390 L CB -0.211 41.748 42.059 -0.166 0.000 0.994 390 L HN 0.610 nan 8.230 nan 0.000 0.462 391 L N -0.197 121.026 121.223 -0.002 0.000 2.072 391 L HA 0.067 4.591 4.340 0.307 0.000 0.205 391 L C 0.148 177.015 176.870 -0.004 0.000 1.079 391 L CA 1.522 56.360 54.840 -0.003 0.000 0.752 391 L CB 0.435 42.493 42.059 -0.002 0.000 0.906 391 L HN 0.129 nan 8.230 nan 0.000 0.436 392 L N 0.168 121.391 121.223 0.000 0.000 2.676 392 L HA 0.381 4.905 4.340 0.307 0.000 0.262 392 L C -0.884 176.003 176.870 0.028 0.000 0.965 392 L CA -0.377 54.472 54.840 0.014 0.000 0.920 392 L CB 0.854 42.920 42.059 0.013 0.000 1.260 392 L HN -0.101 nan 8.230 nan 0.000 0.422 393 R N 2.242 122.770 120.500 0.048 0.000 2.615 393 R HA 0.889 5.413 4.340 0.307 0.000 0.270 393 R C 0.178 176.581 176.300 0.172 0.000 1.081 393 R CA 0.098 56.258 56.100 0.100 0.000 1.154 393 R CB 1.313 31.696 30.300 0.138 0.000 1.063 393 R HN 0.887 nan 8.270 nan 0.000 0.519 394 G N 0.472 109.415 108.800 0.237 0.000 2.356 394 G HA2 0.364 4.508 3.960 0.307 0.000 0.294 394 G HA3 0.364 4.508 3.960 0.307 0.000 0.294 394 G C -1.458 173.497 174.900 0.093 0.000 1.423 394 G CA -0.848 44.361 45.100 0.182 0.000 0.806 394 G HN 0.370 nan 8.290 nan 0.000 0.527 395 I N 0.974 121.512 120.570 -0.054 0.000 2.389 395 I HA 0.308 4.663 4.170 0.307 0.000 0.288 395 I C -0.129 175.935 176.117 -0.089 0.000 0.999 395 I CA -0.810 60.358 61.300 -0.220 0.000 1.129 395 I CB 2.166 39.896 38.000 -0.451 0.000 1.288 395 I HN 0.453 nan 8.210 nan 0.000 0.444 396 D N 2.899 123.264 120.400 -0.059 0.000 2.333 396 D HA -0.028 4.796 4.640 0.307 0.000 0.208 396 D C 0.405 176.728 176.300 0.038 0.000 0.984 396 D CA 1.227 55.221 54.000 -0.010 0.000 0.873 396 D CB 0.435 41.230 40.800 -0.009 0.000 0.935 396 D HN 0.491 nan 8.370 nan 0.000 0.521 397 H N 0.011 119.016 119.070 -0.108 0.000 3.096 397 H HA 0.335 5.077 4.556 0.311 0.000 0.335 397 H C -1.789 173.475 175.328 -0.106 0.000 0.990 397 H CA -0.669 55.324 56.048 -0.092 0.000 1.393 397 H CB 1.382 31.095 29.762 -0.082 0.000 1.742 397 H HN -0.126 nan 8.280 nan 0.000 0.501 398 L N 8.531 129.529 121.223 -0.376 0.000 2.454 398 L HA 0.421 4.945 4.340 0.307 0.000 0.258 398 L C -2.830 173.837 176.870 -0.339 0.000 1.025 398 L CA -1.607 53.034 54.840 -0.331 0.000 0.901 398 L CB 1.446 43.410 42.059 -0.158 0.000 1.210 398 L HN 0.488 nan 8.230 nan 0.000 0.457 399 P HA 0.283 nan 4.420 nan 0.000 0.276 399 P C -1.092 176.116 177.300 -0.154 0.000 1.253 399 P CA -0.049 62.890 63.100 -0.269 0.000 0.766 399 P CB 1.055 32.614 31.700 -0.234 0.000 0.845 400 V N 1.655 121.485 119.914 -0.141 0.000 2.914 400 V HA 0.628 4.933 4.120 0.307 0.000 0.314 400 V C -0.467 175.545 176.094 -0.136 0.000 1.084 400 V CA -1.210 61.015 62.300 -0.125 0.000 0.963 400 V CB 2.666 34.397 31.823 -0.153 0.000 1.025 400 V HN 0.248 nan 8.190 nan 0.000 0.432 401 R N 2.556 122.989 120.500 -0.111 0.000 2.229 401 R HA 0.537 5.061 4.340 0.307 0.000 0.332 401 R C 0.664 176.883 176.300 -0.135 0.000 0.989 401 R CA -0.607 55.432 56.100 -0.101 0.000 0.842 401 R CB 1.706 31.975 30.300 -0.052 0.000 1.119 401 R HN 0.792 nan 8.270 nan 0.000 0.456 402 L N 1.727 122.831 121.223 -0.198 0.000 2.017 402 L HA -0.235 4.289 4.340 0.307 0.000 0.208 402 L C 1.460 178.328 176.870 -0.003 0.000 1.073 402 L CA 1.600 56.278 54.840 -0.270 0.000 0.745 402 L CB -0.332 41.515 42.059 -0.354 0.000 0.894 402 L HN 0.643 nan 8.230 nan 0.000 0.432 403 D N -0.950 119.460 120.400 0.017 0.000 2.271 403 D HA 0.222 5.047 4.640 0.307 0.000 0.206 403 D C 1.082 177.404 176.300 0.037 0.000 0.967 403 D CA 0.839 54.873 54.000 0.056 0.000 0.867 403 D CB 0.073 40.897 40.800 0.040 0.000 0.960 403 D HN 0.321 nan 8.370 nan 0.000 0.509 404 G N 0.000 108.807 108.800 0.012 0.000 5.446 404 G HA2 0.000 4.144 3.960 0.307 0.000 0.244 404 G HA3 0.000 4.144 3.960 0.307 0.000 0.244 404 G CA 0.000 45.107 45.100 0.012 0.000 0.502 404 G HN 0.000 nan 8.290 nan 0.000 0.925