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 2i6e_1_D DATA FIRST_RESID 16 DATA SEQUENCE PYRAGWIHFT NVAPILDSLE LPPGVTAITG VPTQXNAALL SGEVDIANVS DATA SEQUENCE AVEFIRHADT LAALPDFSVA VLGPVYSVNL FHTCPLPELR RVALTSQSAX DATA SEQUENCE SVALLEVLLR QKGLSPVLER AEGTAESLLA AGYDGVLRIG DDALREWYGV DATA SEQUENCE VGPLTPERTX TSLPHTGRGI TVTDLAQEWF DLTGHPFTFA VWAYRKDNPP DATA SEQUENCE PAALLQAXRE ARRRGIGHLA EVSQRHAEKL GLPERVVQHY LWNFRYHLEA DATA SEQUENCE PDRLGLREFA DLAVPGHAEL TF 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 16 P HA 0.000 nan 4.420 nan 0.000 0.216 16 P C 0.000 177.318 177.300 0.030 0.000 1.155 16 P CA 0.000 63.115 63.100 0.026 0.000 0.800 16 P CB 0.000 31.696 31.700 -0.007 0.000 0.726 17 Y N 1.994 122.259 120.300 -0.058 0.000 2.569 17 Y HA 0.277 4.827 4.550 -0.000 0.000 0.332 17 Y C 0.909 176.749 175.900 -0.101 0.000 1.120 17 Y CA 0.415 58.471 58.100 -0.074 0.000 1.416 17 Y CB 0.570 38.985 38.460 -0.075 0.000 1.210 17 Y HN 0.083 nan 8.280 nan 0.000 0.528 18 R N 3.465 123.759 120.500 -0.344 0.000 2.486 18 R HA 0.792 5.132 4.340 -0.000 0.000 0.286 18 R C -0.946 175.130 176.300 -0.373 0.000 0.999 18 R CA -0.628 55.300 56.100 -0.287 0.000 0.993 18 R CB 1.265 31.410 30.300 -0.259 0.000 1.084 18 R HN 0.681 nan 8.270 nan 0.000 0.487 19 A N 0.618 123.187 122.820 -0.419 0.000 2.401 19 A HA 0.723 5.043 4.320 -0.000 0.000 0.310 19 A C -0.550 176.597 177.584 -0.728 0.000 1.075 19 A CA -0.795 50.824 52.037 -0.697 0.000 0.746 19 A CB 1.902 20.218 19.000 -1.141 0.000 1.277 19 A HN 0.756 nan 8.150 nan 0.000 0.425 20 G N 0.924 109.348 108.800 -0.627 0.000 2.866 20 G HA2 0.506 4.466 3.960 -0.000 0.000 0.318 20 G HA3 0.506 4.466 3.960 -0.000 0.000 0.318 20 G C -0.682 174.139 174.900 -0.131 0.000 1.336 20 G CA -0.376 44.518 45.100 -0.343 0.000 1.067 20 G HN 0.623 nan 8.290 nan 0.000 0.515 21 W N 2.449 123.717 121.300 -0.053 0.000 2.316 21 W HA 0.480 5.140 4.660 -0.000 0.000 0.311 21 W C 0.274 176.686 176.519 -0.179 0.000 1.217 21 W CA -1.084 56.204 57.345 -0.095 0.000 1.199 21 W CB 1.627 31.078 29.460 -0.014 0.000 1.202 21 W HN 0.171 nan 8.180 nan 0.000 0.528 22 I N 4.240 124.767 120.570 -0.072 0.000 2.307 22 I HA 0.034 4.204 4.170 -0.000 0.000 0.287 22 I C 0.093 175.762 176.117 -0.747 0.000 1.054 22 I CA -0.681 60.364 61.300 -0.425 0.000 1.218 22 I CB 0.270 37.955 38.000 -0.525 0.000 1.398 22 I HN 0.409 nan 8.210 nan 0.000 0.475 23 H N 7.929 126.713 119.070 -0.477 0.000 2.882 23 H HA 0.294 4.850 4.556 -0.000 0.000 0.258 23 H C -0.894 174.291 175.328 -0.239 0.000 1.579 23 H CA -0.380 55.475 56.048 -0.322 0.000 1.340 23 H CB -0.026 29.697 29.762 -0.066 0.000 1.645 23 H HN 0.331 nan 8.280 nan 0.000 0.541 24 F N -0.812 119.216 119.950 0.130 0.000 2.497 24 F HA 0.313 4.840 4.527 -0.000 0.000 0.331 24 F C 1.815 177.660 175.800 0.075 0.000 1.060 24 F CA -1.505 56.568 58.000 0.121 0.000 0.989 24 F CB -0.204 38.832 39.000 0.060 0.000 1.245 24 F HN -0.020 nan 8.300 nan 0.000 0.486 25 T N 0.495 115.235 114.554 0.310 0.000 2.680 25 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 25 T C 1.505 176.246 174.700 0.067 0.000 1.033 25 T CA 2.473 64.609 62.100 0.061 0.000 1.152 25 T CB -0.706 68.248 68.868 0.142 0.000 0.859 25 T HN 0.767 nan 8.240 nan 0.000 0.452 26 N N 1.943 120.711 118.700 0.114 0.000 2.519 26 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 26 N C 1.434 176.828 175.510 -0.193 0.000 1.062 26 N CA 1.220 54.106 53.050 -0.274 0.000 0.910 26 N CB -0.669 37.300 38.487 -0.864 0.000 0.958 26 N HN 0.518 nan 8.380 nan 0.000 0.445 27 V N -4.879 115.023 119.914 -0.021 0.000 3.578 27 V HA 0.575 4.695 4.120 -0.000 0.000 0.290 27 V C 1.957 177.946 176.094 -0.175 0.000 1.376 27 V CA 0.092 62.355 62.300 -0.062 0.000 1.083 27 V CB -0.388 31.413 31.823 -0.036 0.000 0.911 27 V HN 0.252 nan 8.190 nan 0.000 0.433 28 A N 1.721 124.472 122.820 -0.116 0.000 1.892 28 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 28 A C 0.555 178.110 177.584 -0.049 0.000 1.188 28 A CA 2.463 54.481 52.037 -0.031 0.000 0.631 28 A CB -1.900 16.965 19.000 -0.226 0.000 0.822 28 A HN 0.614 nan 8.150 nan 0.000 0.447 29 P HA -0.111 nan 4.420 nan 0.000 0.221 29 P C 1.119 178.274 177.300 -0.240 0.000 1.145 29 P CA 0.987 63.996 63.100 -0.150 0.000 0.795 29 P CB -0.028 31.546 31.700 -0.210 0.000 0.775 30 I N -2.496 117.880 120.570 -0.323 0.000 2.729 30 I HA -0.042 4.128 4.170 -0.000 0.000 0.256 30 I C 2.017 177.977 176.117 -0.262 0.000 1.115 30 I CA 0.769 61.877 61.300 -0.320 0.000 1.446 30 I CB -0.244 37.522 38.000 -0.390 0.000 1.176 30 I HN -0.150 nan 8.210 nan 0.000 0.446 31 L N -0.012 121.050 121.223 -0.268 0.000 2.253 31 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 31 L C 1.945 178.835 176.870 0.035 0.000 1.078 31 L CA 0.516 55.208 54.840 -0.247 0.000 0.805 31 L CB -0.590 41.143 42.059 -0.543 0.000 0.963 31 L HN 0.110 nan 8.230 nan 0.000 0.459 32 D N 0.804 121.289 120.400 0.143 0.000 2.204 32 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 32 D C 2.039 178.382 176.300 0.071 0.000 1.006 32 D CA 2.172 56.270 54.000 0.164 0.000 0.855 32 D CB -0.144 40.761 40.800 0.174 0.000 0.946 32 D HN 0.327 nan 8.370 nan 0.000 0.448 33 S N -0.448 115.265 115.700 0.022 0.000 2.614 33 S HA 0.137 4.607 4.470 -0.000 0.000 0.230 33 S C 0.462 175.058 174.600 -0.007 0.000 0.952 33 S CA -0.681 57.519 58.200 -0.000 0.000 0.949 33 S CB -0.286 62.899 63.200 -0.026 0.000 0.786 33 S HN 0.133 nan 8.310 nan 0.000 0.478 34 L N 2.499 123.718 121.223 -0.006 0.000 2.525 34 L HA 0.339 4.679 4.340 -0.000 0.000 0.278 34 L C 0.173 177.062 176.870 0.032 0.000 1.218 34 L CA 0.871 55.706 54.840 -0.008 0.000 0.878 34 L CB 0.264 42.312 42.059 -0.019 0.000 1.127 34 L HN 0.409 nan 8.230 nan 0.000 0.492 35 E N 5.053 125.268 120.200 0.024 0.000 2.346 35 E HA 0.277 4.627 4.350 -0.000 0.000 0.239 35 E C -1.027 175.597 176.600 0.040 0.000 0.943 35 E CA -0.536 55.883 56.400 0.030 0.000 0.751 35 E CB 0.514 30.220 29.700 0.010 0.000 1.241 35 E HN 0.669 nan 8.360 nan 0.000 0.423 36 L N 6.125 127.388 121.223 0.068 0.000 2.584 36 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 36 L C -1.550 175.341 176.870 0.034 0.000 1.195 36 L CA -1.013 53.869 54.840 0.069 0.000 0.920 36 L CB -0.304 41.806 42.059 0.086 0.000 1.173 36 L HN 0.412 nan 8.230 nan 0.000 0.489 37 P HA 0.269 nan 4.420 nan 0.000 0.275 37 P C -2.621 174.682 177.300 0.005 0.000 1.266 37 P CA -1.633 61.469 63.100 0.003 0.000 0.793 37 P CB -0.223 31.469 31.700 -0.013 0.000 1.074 38 P HA 0.166 nan 4.420 nan 0.000 0.267 38 P C 0.879 178.179 177.300 0.001 0.000 1.205 38 P CA 1.128 64.228 63.100 0.001 0.000 0.765 38 P CB -0.102 31.596 31.700 -0.003 0.000 0.828 39 G N 1.329 110.134 108.800 0.008 0.000 2.218 39 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 39 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 39 G C -0.049 174.874 174.900 0.039 0.000 0.994 39 G CA 0.056 45.166 45.100 0.017 0.000 0.637 39 G HN 0.723 nan 8.290 nan 0.000 0.505 40 V N -0.347 119.588 119.914 0.035 0.000 2.769 40 V HA 0.998 5.118 4.120 -0.000 0.000 0.312 40 V C -0.031 176.072 176.094 0.014 0.000 1.061 40 V CA 0.406 62.736 62.300 0.050 0.000 0.931 40 V CB 1.703 33.568 31.823 0.071 0.000 1.010 40 V HN 1.266 nan 8.190 nan 0.000 0.433 41 T N 0.652 115.192 114.554 -0.024 0.000 2.887 41 T HA 0.945 5.295 4.350 -0.000 0.000 0.292 41 T C -0.360 174.261 174.700 -0.133 0.000 1.087 41 T CA -0.367 61.702 62.100 -0.052 0.000 1.009 41 T CB 1.848 70.683 68.868 -0.055 0.000 1.203 41 T HN 2.058 nan 8.240 nan 0.000 0.518 42 A N 1.144 123.883 122.820 -0.135 0.000 2.422 42 A HA 0.795 5.115 4.320 -0.000 0.000 0.302 42 A C -1.011 176.469 177.584 -0.174 0.000 1.041 42 A CA -0.931 50.941 52.037 -0.275 0.000 0.708 42 A CB 0.975 19.812 19.000 -0.272 0.000 1.257 42 A HN 0.890 nan 8.150 nan 0.000 0.414 43 I N 1.668 122.105 120.570 -0.221 0.000 2.406 43 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 43 I C 0.498 176.566 176.117 -0.081 0.000 0.999 43 I CA -0.390 60.839 61.300 -0.119 0.000 1.124 43 I CB 2.264 40.191 38.000 -0.121 0.000 1.289 43 I HN 0.688 nan 8.210 nan 0.000 0.441 44 T N 3.735 118.285 114.554 -0.007 0.000 2.912 44 T HA 0.874 5.224 4.350 -0.000 0.000 0.280 44 T C -0.020 174.681 174.700 0.002 0.000 0.989 44 T CA 0.053 62.176 62.100 0.038 0.000 0.995 44 T CB 1.545 70.462 68.868 0.083 0.000 1.077 44 T HN 0.932 nan 8.240 nan 0.000 0.531 45 G N 0.319 109.119 108.800 -0.001 0.000 2.335 45 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 45 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 45 G C -0.899 173.989 174.900 -0.019 0.000 1.261 45 G CA -0.078 45.016 45.100 -0.011 0.000 0.871 45 G HN 1.297 nan 8.290 nan 0.000 0.491 46 V N -1.320 118.591 119.914 -0.004 0.000 2.716 46 V HA 0.665 4.785 4.120 -0.000 0.000 0.304 46 V C -1.180 174.923 176.094 0.016 0.000 1.053 46 V CA -1.413 60.895 62.300 0.014 0.000 0.984 46 V CB 1.401 33.243 31.823 0.032 0.000 1.021 46 V HN 0.512 nan 8.190 nan 0.000 0.467 47 P HA -0.251 nan 4.420 nan 0.000 0.218 47 P C 1.899 179.218 177.300 0.032 0.000 1.165 47 P CA 3.119 66.254 63.100 0.058 0.000 0.922 47 P CB -0.279 31.488 31.700 0.111 0.000 0.794 48 T N -2.934 111.641 114.554 0.036 0.000 2.653 48 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 48 T C 1.231 175.934 174.700 0.006 0.000 1.035 48 T CA 1.113 63.227 62.100 0.024 0.000 1.154 48 T CB -1.123 67.761 68.868 0.027 0.000 0.862 48 T HN 0.232 nan 8.240 nan 0.000 0.441 52 A N 1.329 124.120 122.820 -0.047 0.000 1.908 52 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 52 A C 2.191 179.743 177.584 -0.054 0.000 1.181 52 A CA 2.670 54.681 52.037 -0.044 0.000 0.627 52 A CB -0.816 18.170 19.000 -0.024 0.000 0.818 52 A HN 0.402 nan 8.150 nan 0.000 0.445 53 A N -0.767 122.019 122.820 -0.057 0.000 1.933 53 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 53 A C 2.135 179.670 177.584 -0.081 0.000 1.175 53 A CA 1.703 53.699 52.037 -0.069 0.000 0.628 53 A CB -0.524 18.431 19.000 -0.076 0.000 0.814 53 A HN 0.649 nan 8.150 nan 0.000 0.444 54 L N -0.157 121.016 121.223 -0.083 0.000 2.044 54 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 54 L C 2.311 179.133 176.870 -0.079 0.000 1.075 54 L CA 1.548 56.339 54.840 -0.082 0.000 0.747 54 L CB -0.475 41.541 42.059 -0.072 0.000 0.903 54 L HN 0.401 nan 8.230 nan 0.000 0.435 55 L N -0.689 120.475 121.223 -0.098 0.000 1.994 55 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 55 L C 2.767 179.606 176.870 -0.052 0.000 1.071 55 L CA 1.679 56.462 54.840 -0.095 0.000 0.745 55 L CB -1.251 40.729 42.059 -0.132 0.000 0.892 55 L HN 0.526 nan 8.230 nan 0.000 0.431 56 S N -0.425 115.246 115.700 -0.049 0.000 2.359 56 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 56 S C 1.625 176.201 174.600 -0.040 0.000 1.035 56 S CA 1.463 59.641 58.200 -0.037 0.000 1.018 56 S CB -0.158 63.020 63.200 -0.036 0.000 0.876 56 S HN 0.618 nan 8.310 nan 0.000 0.448 57 G N 0.006 108.773 108.800 -0.056 0.000 2.370 57 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.174 57 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.174 57 G C 0.655 175.503 174.900 -0.087 0.000 1.002 57 G CA 0.350 45.411 45.100 -0.065 0.000 0.730 57 G HN 0.325 nan 8.290 nan 0.000 0.497 58 E N 0.207 120.356 120.200 -0.084 0.000 2.023 58 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 58 E C 1.344 177.862 176.600 -0.136 0.000 1.003 58 E CA 1.322 57.665 56.400 -0.096 0.000 0.809 58 E CB -0.216 29.434 29.700 -0.083 0.000 0.755 58 E HN 0.404 nan 8.360 nan 0.000 0.449 59 V N 2.294 122.118 119.914 -0.150 0.000 2.612 59 V HA 0.049 4.169 4.120 -0.000 0.000 0.301 59 V C 0.892 176.847 176.094 -0.231 0.000 1.046 59 V CA -0.249 61.926 62.300 -0.208 0.000 0.946 59 V CB 1.808 33.511 31.823 -0.200 0.000 1.003 59 V HN 0.065 nan 8.190 nan 0.000 0.459 60 D N 2.052 122.232 120.400 -0.368 0.000 2.301 60 D HA 0.236 4.875 4.640 -0.000 0.000 0.206 60 D C 0.201 176.391 176.300 -0.184 0.000 0.979 60 D CA 1.024 54.756 54.000 -0.446 0.000 0.874 60 D CB 1.317 41.391 40.800 -1.211 0.000 0.968 60 D HN 0.382 nan 8.370 nan 0.000 0.510 61 I N -0.104 120.386 120.570 -0.134 0.000 2.692 61 I HA 0.495 4.665 4.170 -0.000 0.000 0.293 61 I C -2.000 174.124 176.117 0.011 0.000 1.200 61 I CA -0.599 60.759 61.300 0.097 0.000 1.036 61 I CB 2.011 40.196 38.000 0.308 0.000 1.258 61 I HN -0.148 nan 8.210 nan 0.000 0.421 62 A N 4.925 127.807 122.820 0.103 0.000 2.587 62 A HA 0.534 4.854 4.320 -0.000 0.000 0.293 62 A C -1.510 176.038 177.584 -0.060 0.000 1.087 62 A CA -0.793 51.280 52.037 0.061 0.000 0.692 62 A CB 1.422 20.402 19.000 -0.034 0.000 1.291 62 A HN 0.702 nan 8.150 nan 0.000 0.407 63 N N 1.308 119.842 118.700 -0.277 0.000 2.719 63 N HA 0.351 5.091 4.740 -0.000 0.000 0.243 63 N C -0.063 175.223 175.510 -0.374 0.000 1.104 63 N CA 0.048 52.593 53.050 -0.841 0.000 0.981 63 N CB 0.720 38.291 38.487 -1.526 0.000 1.290 63 N HN 0.815 nan 8.380 nan 0.000 0.513 64 V N 0.002 119.789 119.914 -0.212 0.000 3.109 64 V HA 0.611 4.731 4.120 -0.000 0.000 0.317 64 V C 0.724 176.816 176.094 -0.003 0.000 1.074 64 V CA -1.030 61.236 62.300 -0.057 0.000 1.033 64 V CB 0.915 32.737 31.823 -0.001 0.000 1.111 64 V HN 0.611 nan 8.190 nan 0.000 0.458 65 S N 1.201 116.946 115.700 0.076 0.000 2.584 65 S HA 0.495 4.965 4.470 -0.000 0.000 0.270 65 S C 1.308 176.005 174.600 0.162 0.000 1.346 65 S CA -0.014 58.260 58.200 0.122 0.000 1.018 65 S CB 0.963 64.250 63.200 0.145 0.000 0.899 65 S HN 1.770 nan 8.310 nan 0.000 0.542 66 A N 1.750 124.666 122.820 0.161 0.000 1.908 66 A HA -0.025 4.294 4.320 -0.000 0.000 0.218 66 A C 2.145 179.887 177.584 0.262 0.000 1.181 66 A CA 1.695 53.848 52.037 0.193 0.000 0.627 66 A CB -1.335 17.676 19.000 0.018 0.000 0.818 66 A HN 0.803 nan 8.150 nan 0.000 0.445 67 V N 0.043 120.122 119.914 0.275 0.000 2.343 67 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 67 V C 2.591 178.804 176.094 0.198 0.000 1.051 67 V CA 2.459 64.925 62.300 0.277 0.000 1.036 67 V CB -0.785 31.215 31.823 0.295 0.000 0.654 67 V HN 0.743 nan 8.190 nan 0.000 0.451 68 E N 0.217 120.545 120.200 0.213 0.000 2.085 68 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 68 E C 1.906 178.681 176.600 0.291 0.000 0.994 68 E CA 1.704 58.243 56.400 0.233 0.000 0.801 68 E CB -0.439 29.354 29.700 0.156 0.000 0.743 68 E HN 0.519 nan 8.360 nan 0.000 0.453 69 F N 0.651 120.656 119.950 0.093 0.000 2.113 69 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 69 F C 1.924 177.750 175.800 0.043 0.000 1.103 69 F CA 1.489 59.522 58.000 0.055 0.000 1.248 69 F CB -0.553 38.464 39.000 0.028 0.000 0.999 69 F HN 0.058 nan 8.300 nan 0.000 0.475 70 I N 0.482 120.907 120.570 -0.242 0.000 2.163 70 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 70 I C 2.487 178.444 176.117 -0.267 0.000 1.085 70 I CA 1.486 62.541 61.300 -0.407 0.000 1.347 70 I CB -0.533 37.308 38.000 -0.265 0.000 1.044 70 I HN 0.068 nan 8.210 nan 0.000 0.408 71 R N -0.226 120.198 120.500 -0.127 0.000 2.237 71 R HA -0.114 4.226 4.340 -0.000 0.000 0.219 71 R C 0.617 176.710 176.300 -0.346 0.000 1.080 71 R CA 0.963 56.951 56.100 -0.187 0.000 0.995 71 R CB -0.265 29.947 30.300 -0.147 0.000 0.875 71 R HN 0.516 nan 8.270 nan 0.000 0.462 72 H N -1.596 117.405 119.070 -0.116 0.000 2.510 72 H HA 0.284 4.839 4.556 -0.000 0.000 0.266 72 H C 0.916 176.149 175.328 -0.158 0.000 1.146 72 H CA 0.057 56.052 56.048 -0.088 0.000 0.993 72 H CB 0.988 30.738 29.762 -0.021 0.000 1.727 72 H HN 0.121 nan 8.280 nan 0.000 0.590 73 A N 0.493 123.175 122.820 -0.231 0.000 2.125 73 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 73 A C 1.621 179.101 177.584 -0.173 0.000 1.156 73 A CA 1.675 53.484 52.037 -0.380 0.000 0.671 73 A CB -0.200 18.495 19.000 -0.507 0.000 0.794 73 A HN 0.562 nan 8.150 nan 0.000 0.459 74 D N -0.552 119.787 120.400 -0.102 0.000 2.149 74 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 74 D C 1.679 177.963 176.300 -0.025 0.000 0.972 74 D CA 1.845 55.809 54.000 -0.060 0.000 0.835 74 D CB -0.904 39.864 40.800 -0.052 0.000 0.966 74 D HN 0.451 nan 8.370 nan 0.000 0.476 75 T N -2.615 111.942 114.554 0.005 0.000 3.022 75 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 75 T C 0.645 175.359 174.700 0.023 0.000 1.060 75 T CA -0.406 61.709 62.100 0.026 0.000 1.013 75 T CB -0.172 68.728 68.868 0.052 0.000 0.982 75 T HN 0.053 nan 8.240 nan 0.000 0.508 76 L N 1.206 122.445 121.223 0.026 0.000 2.322 76 L HA 0.866 5.206 4.340 -0.000 0.000 0.269 76 L C -0.237 176.649 176.870 0.027 0.000 1.012 76 L CA -1.444 53.413 54.840 0.028 0.000 0.815 76 L CB 1.902 44.048 42.059 0.145 0.000 1.295 76 L HN 0.189 nan 8.230 nan 0.000 0.438 77 A N 1.101 123.788 122.820 -0.221 0.000 2.413 77 A HA 0.940 5.260 4.320 -0.000 0.000 0.307 77 A C -1.044 176.194 177.584 -0.577 0.000 1.087 77 A CA -0.462 51.386 52.037 -0.315 0.000 0.750 77 A CB 1.869 20.614 19.000 -0.425 0.000 1.296 77 A HN 0.756 nan 8.150 nan 0.000 0.423 78 A N 0.841 123.421 122.820 -0.399 0.000 2.380 78 A HA 0.725 5.045 4.320 -0.000 0.000 0.315 78 A C -0.391 177.332 177.584 0.231 0.000 1.101 78 A CA -0.621 51.242 52.037 -0.291 0.000 0.771 78 A CB 0.609 19.162 19.000 -0.746 0.000 1.287 78 A HN 0.890 nan 8.150 nan 0.000 0.436 79 L N 2.351 123.790 121.223 0.360 0.000 2.514 79 L HA 0.136 4.476 4.340 -0.000 0.000 0.280 79 L C -0.901 176.185 176.870 0.360 0.000 1.223 79 L CA -1.003 54.072 54.840 0.392 0.000 0.864 79 L CB 0.757 43.008 42.059 0.320 0.000 1.118 79 L HN 0.649 nan 8.230 nan 0.000 0.494 80 P HA -0.101 nan 4.420 nan 0.000 0.225 80 P C 0.203 177.500 177.300 -0.006 0.000 1.156 80 P CA 1.016 64.174 63.100 0.096 0.000 0.787 80 P CB 0.219 31.991 31.700 0.121 0.000 0.802 81 D N -1.632 118.817 120.400 0.082 0.000 2.623 81 D HA 0.124 4.764 4.640 -0.000 0.000 0.252 81 D C -0.602 175.533 176.300 -0.274 0.000 1.294 81 D CA -0.514 53.448 54.000 -0.063 0.000 0.824 81 D CB -0.512 40.236 40.800 -0.086 0.000 1.070 81 D HN 0.070 nan 8.370 nan 0.000 0.487 82 F N 1.327 121.231 119.950 -0.076 0.000 2.540 82 F HA 0.486 5.012 4.527 -0.000 0.000 0.317 82 F C 0.227 176.130 175.800 0.172 0.000 1.104 82 F CA -0.324 57.617 58.000 -0.098 0.000 0.913 82 F CB 2.336 41.145 39.000 -0.319 0.000 1.170 82 F HN 0.002 nan 8.300 nan 0.000 0.450 83 S N 1.056 116.982 115.700 0.376 0.000 2.615 83 S HA 0.775 5.245 4.470 -0.000 0.000 0.268 83 S C -2.094 172.755 174.600 0.415 0.000 1.146 83 S CA -0.928 57.510 58.200 0.396 0.000 0.818 83 S CB 1.675 64.975 63.200 0.167 0.000 1.111 83 S HN 0.337 nan 8.310 nan 0.000 0.465 84 V N 1.095 121.173 119.914 0.273 0.000 2.357 84 V HA 0.856 4.976 4.120 -0.000 0.000 0.281 84 V C 0.179 176.411 176.094 0.230 0.000 1.015 84 V CA 0.366 62.774 62.300 0.179 0.000 0.827 84 V CB 0.257 32.124 31.823 0.073 0.000 1.018 84 V HN 1.383 nan 8.190 nan 0.000 0.432 85 A N 4.350 127.295 122.820 0.208 0.000 2.569 85 A HA 1.051 5.371 4.320 -0.000 0.000 0.290 85 A C -0.833 176.825 177.584 0.124 0.000 1.136 85 A CA -0.387 51.758 52.037 0.179 0.000 0.710 85 A CB 2.519 21.535 19.000 0.027 0.000 1.303 85 A HN 1.611 nan 8.150 nan 0.000 0.413 86 V N -2.346 117.610 119.914 0.070 0.000 3.232 86 V HA 0.861 4.981 4.120 -0.000 0.000 0.303 86 V C -1.729 174.363 176.094 -0.003 0.000 1.311 86 V CA -0.797 61.467 62.300 -0.061 0.000 1.061 86 V CB 1.639 33.372 31.823 -0.149 0.000 1.085 86 V HN 1.502 nan 8.190 nan 0.000 0.447 87 L N 2.590 123.771 121.223 -0.071 0.000 2.342 87 L HA 0.972 5.312 4.340 -0.000 0.000 0.276 87 L C 0.365 177.145 176.870 -0.150 0.000 0.997 87 L CA 1.511 56.319 54.840 -0.053 0.000 0.838 87 L CB 0.603 42.604 42.059 -0.096 0.000 1.224 87 L HN 2.026 nan 8.230 nan 0.000 0.416 88 G N 4.873 113.611 108.800 -0.103 0.000 2.466 88 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 88 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 88 G C -2.925 171.908 174.900 -0.111 0.000 1.237 88 G CA -0.370 44.633 45.100 -0.161 0.000 0.954 88 G HN 0.637 nan 8.290 nan 0.000 0.580 89 P HA 0.359 nan 4.420 nan 0.000 0.270 89 P C 0.476 177.486 177.300 -0.484 0.000 1.223 89 P CA 0.817 63.644 63.100 -0.455 0.000 0.785 89 P CB 1.765 32.962 31.700 -0.839 0.000 0.923 90 V N 2.041 121.682 119.914 -0.455 0.000 3.548 90 V HA 0.033 4.153 4.120 -0.000 0.000 0.279 90 V C 0.582 176.602 176.094 -0.122 0.000 1.446 90 V CA 0.266 62.385 62.300 -0.302 0.000 1.023 90 V CB -1.160 30.560 31.823 -0.171 0.000 0.820 90 V HN 0.506 nan 8.190 nan 0.000 0.438 91 Y N 0.780 120.878 120.300 -0.336 0.000 4.776 91 Y HA -0.299 4.251 4.550 -0.000 0.000 0.268 91 Y C 1.628 177.317 175.900 -0.351 0.000 0.987 91 Y CA 1.373 59.145 58.100 -0.548 0.000 1.944 91 Y CB -2.210 35.860 38.460 -0.649 0.000 1.281 91 Y HN 0.589 nan 8.280 nan 0.000 0.480 92 S N -1.791 113.890 115.700 -0.031 0.000 2.749 92 S HA 0.567 5.037 4.470 -0.000 0.000 0.246 92 S C -0.290 174.226 174.600 -0.140 0.000 1.023 92 S CA 0.176 58.354 58.200 -0.038 0.000 1.012 92 S CB 0.557 63.803 63.200 0.076 0.000 0.942 92 S HN 0.088 nan 8.310 nan 0.000 0.531 93 V N 2.486 122.278 119.914 -0.203 0.000 2.465 93 V HA 0.434 4.554 4.120 -0.000 0.000 0.263 93 V C -1.025 174.985 176.094 -0.140 0.000 0.981 93 V CA -0.709 61.467 62.300 -0.207 0.000 0.838 93 V CB 0.197 31.815 31.823 -0.342 0.000 1.068 93 V HN 0.463 nan 8.190 nan 0.000 0.458 94 N N 2.929 121.585 118.700 -0.074 0.000 2.319 94 N HA 0.734 5.474 4.740 -0.000 0.000 0.305 94 N C -1.192 174.280 175.510 -0.063 0.000 1.103 94 N CA -0.832 52.124 53.050 -0.156 0.000 0.815 94 N CB 2.772 41.026 38.487 -0.388 0.000 1.288 94 N HN 0.397 nan 8.380 nan 0.000 0.493 95 L N 2.643 123.806 121.223 -0.101 0.000 2.295 95 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 95 L C -1.653 175.284 176.870 0.112 0.000 1.018 95 L CA -0.413 54.464 54.840 0.061 0.000 0.841 95 L CB -0.287 41.791 42.059 0.032 0.000 1.218 95 L HN 0.453 nan 8.230 nan 0.000 0.424 96 F N 5.385 125.445 119.950 0.184 0.000 2.410 96 F HA 0.494 5.021 4.527 -0.000 0.000 0.348 96 F C 0.615 176.564 175.800 0.249 0.000 1.106 96 F CA -0.094 58.015 58.000 0.183 0.000 1.163 96 F CB 0.612 39.670 39.000 0.097 0.000 1.129 96 F HN 0.571 nan 8.300 nan 0.000 0.516 97 H N -0.773 118.419 119.070 0.203 0.000 3.012 97 H HA 0.280 4.836 4.556 -0.000 0.000 0.367 97 H C -0.347 175.055 175.328 0.122 0.000 1.211 97 H CA -0.924 55.212 56.048 0.148 0.000 1.139 97 H CB 1.169 30.995 29.762 0.106 0.000 1.838 97 H HN 0.522 nan 8.280 nan 0.000 0.550 98 T N -1.405 113.233 114.554 0.140 0.000 3.069 98 T HA 0.304 4.654 4.350 -0.000 0.000 0.252 98 T C 0.687 175.437 174.700 0.084 0.000 1.053 98 T CA 0.348 62.487 62.100 0.064 0.000 0.964 98 T CB -1.320 67.593 68.868 0.075 0.000 1.005 98 T HN 0.809 nan 8.240 nan 0.000 0.532 99 C N -0.488 118.916 119.300 0.173 0.000 3.173 99 C HA 0.797 5.256 4.460 -0.000 0.000 0.310 99 C C -2.948 172.206 174.990 0.273 0.000 1.306 99 C CA -2.512 56.605 59.018 0.165 0.000 1.426 99 C CB 1.440 29.251 27.740 0.119 0.000 1.800 99 C HN 0.107 nan 8.230 nan 0.000 0.470 100 P HA 0.069 nan 4.420 nan 0.000 0.266 100 P C 1.116 178.470 177.300 0.089 0.000 1.193 100 P CA 0.340 63.535 63.100 0.159 0.000 0.770 100 P CB 0.614 32.367 31.700 0.088 0.000 0.836 101 L N 3.089 124.307 121.223 -0.008 0.000 2.051 101 L HA -0.196 4.144 4.340 -0.000 0.000 0.214 101 L C -0.481 176.370 176.870 -0.030 0.000 1.076 101 L CA 2.178 56.957 54.840 -0.103 0.000 0.758 101 L CB -2.300 39.674 42.059 -0.141 0.000 0.890 101 L HN 0.386 nan 8.230 nan 0.000 0.433 102 P HA -0.162 nan 4.420 nan 0.000 0.216 102 P C 1.091 178.401 177.300 0.016 0.000 1.153 102 P CA 1.258 64.361 63.100 0.006 0.000 0.848 102 P CB 0.032 31.738 31.700 0.009 0.000 0.787 103 E N -1.096 119.121 120.200 0.027 0.000 2.511 103 E HA -0.016 4.334 4.350 -0.000 0.000 0.196 103 E C 0.429 177.054 176.600 0.041 0.000 1.066 103 E CA -0.285 56.135 56.400 0.034 0.000 0.871 103 E CB -0.410 29.315 29.700 0.041 0.000 0.863 103 E HN 0.111 nan 8.360 nan 0.000 0.520 104 L N 0.866 122.112 121.223 0.038 0.000 2.485 104 L HA -0.019 4.321 4.340 -0.000 0.000 0.275 104 L C 0.749 177.646 176.870 0.045 0.000 1.207 104 L CA 1.047 55.916 54.840 0.048 0.000 0.855 104 L CB 0.406 42.477 42.059 0.020 0.000 1.114 104 L HN -0.107 nan 8.230 nan 0.000 0.485 105 R N 2.587 123.121 120.500 0.058 0.000 2.532 105 R HA 0.307 4.647 4.340 -0.000 0.000 0.312 105 R C -0.607 175.731 176.300 0.064 0.000 0.923 105 R CA -0.414 55.715 56.100 0.049 0.000 1.115 105 R CB 0.685 31.006 30.300 0.034 0.000 1.703 105 R HN 0.388 nan 8.270 nan 0.000 0.498 106 R N 1.292 121.852 120.500 0.099 0.000 2.575 106 R HA 0.346 4.686 4.340 -0.000 0.000 0.292 106 R C -1.379 175.100 176.300 0.298 0.000 1.246 106 R CA -0.419 55.773 56.100 0.154 0.000 0.973 106 R CB 2.107 32.441 30.300 0.057 0.000 1.187 106 R HN -0.154 nan 8.270 nan 0.000 0.478 107 V N 2.100 122.167 119.914 0.255 0.000 2.417 107 V HA 0.605 4.725 4.120 -0.000 0.000 0.291 107 V C 0.285 176.434 176.094 0.092 0.000 1.024 107 V CA -0.980 61.431 62.300 0.185 0.000 0.861 107 V CB 1.770 33.653 31.823 0.100 0.000 0.985 107 V HN 0.752 nan 8.190 nan 0.000 0.436 108 A N 6.143 128.843 122.820 -0.200 0.000 2.301 108 A HA 0.769 5.088 4.320 -0.000 0.000 0.298 108 A C -0.458 177.013 177.584 -0.189 0.000 1.185 108 A CA -0.449 51.305 52.037 -0.472 0.000 0.830 108 A CB 0.282 18.600 19.000 -1.136 0.000 1.112 108 A HN 0.833 nan 8.150 nan 0.000 0.508 109 L N 3.063 124.223 121.223 -0.106 0.000 2.259 109 L HA 0.241 4.581 4.340 -0.000 0.000 0.288 109 L C 1.386 178.228 176.870 -0.048 0.000 1.051 109 L CA -0.358 54.458 54.840 -0.039 0.000 0.824 109 L CB 1.062 43.122 42.059 0.001 0.000 1.206 109 L HN 0.876 nan 8.230 nan 0.000 0.429 110 T N 0.580 115.109 114.554 -0.042 0.000 3.113 110 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 110 T C 0.638 175.333 174.700 -0.008 0.000 1.143 110 T CA 0.658 62.736 62.100 -0.037 0.000 1.090 110 T CB -0.014 68.833 68.868 -0.034 0.000 0.922 110 T HN 0.675 nan 8.240 nan 0.000 0.521 111 S N -0.275 115.430 115.700 0.008 0.000 2.656 111 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 111 S C -0.822 173.796 174.600 0.030 0.000 1.168 111 S CA -0.930 57.283 58.200 0.022 0.000 0.817 111 S CB 1.494 64.714 63.200 0.032 0.000 1.146 111 S HN 0.112 nan 8.310 nan 0.000 0.475 112 Q N 1.295 121.117 119.800 0.037 0.000 2.294 112 Q HA 0.317 4.657 4.340 -0.000 0.000 0.256 112 Q C 0.007 176.038 176.000 0.052 0.000 0.907 112 Q CA -0.071 55.757 55.803 0.042 0.000 0.954 112 Q CB 0.375 29.137 28.738 0.039 0.000 1.102 112 Q HN 0.481 nan 8.270 nan 0.000 0.429 113 S N -0.027 115.705 115.700 0.054 0.000 2.452 113 S HA 0.700 5.170 4.470 -0.000 0.000 0.284 113 S C 0.111 174.754 174.600 0.071 0.000 1.171 113 S CA -0.615 57.624 58.200 0.065 0.000 1.064 113 S CB 0.664 63.899 63.200 0.057 0.000 0.967 113 S HN 0.412 nan 8.310 nan 0.000 0.484 117 V N 2.095 122.052 119.914 0.071 0.000 2.548 117 V HA 0.361 4.481 4.120 -0.000 0.000 0.249 117 V C 2.597 178.752 176.094 0.103 0.000 1.055 117 V CA 1.850 64.194 62.300 0.074 0.000 1.065 117 V CB -1.511 30.352 31.823 0.066 0.000 0.681 117 V HN 0.822 nan 8.190 nan 0.000 0.462 118 A N 0.857 123.765 122.820 0.145 0.000 1.865 118 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 118 A C 2.206 179.952 177.584 0.269 0.000 1.191 118 A CA 2.322 54.488 52.037 0.214 0.000 0.623 118 A CB -0.857 18.338 19.000 0.325 0.000 0.826 118 A HN 0.628 nan 8.150 nan 0.000 0.444 119 L N -0.778 120.577 121.223 0.220 0.000 2.046 119 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 119 L C 2.236 179.159 176.870 0.087 0.000 1.077 119 L CA 2.047 56.953 54.840 0.110 0.000 0.747 119 L CB -0.734 41.179 42.059 -0.243 0.000 0.896 119 L HN 0.379 nan 8.230 nan 0.000 0.432 120 L N -0.385 120.875 121.223 0.061 0.000 2.046 120 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 120 L C 2.341 179.255 176.870 0.072 0.000 1.077 120 L CA 1.777 56.648 54.840 0.051 0.000 0.747 120 L CB -0.746 41.337 42.059 0.040 0.000 0.896 120 L HN 0.407 nan 8.230 nan 0.000 0.432 121 E N -0.991 119.261 120.200 0.088 0.000 2.072 121 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 121 E C 2.202 178.860 176.600 0.097 0.000 0.985 121 E CA 1.360 57.809 56.400 0.081 0.000 0.801 121 E CB -0.231 29.514 29.700 0.074 0.000 0.750 121 E HN 0.398 nan 8.360 nan 0.000 0.452 122 V N 1.792 121.790 119.914 0.141 0.000 2.287 122 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 122 V C 2.347 178.537 176.094 0.160 0.000 1.053 122 V CA 1.620 64.022 62.300 0.170 0.000 1.027 122 V CB -0.449 31.548 31.823 0.290 0.000 0.646 122 V HN 0.251 nan 8.190 nan 0.000 0.447 123 L N -1.019 120.299 121.223 0.159 0.000 2.027 123 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 123 L C 2.418 179.330 176.870 0.070 0.000 1.074 123 L CA 1.487 56.400 54.840 0.122 0.000 0.745 123 L CB -0.568 41.554 42.059 0.104 0.000 0.898 123 L HN 0.281 nan 8.230 nan 0.000 0.433 124 L N -0.540 120.716 121.223 0.056 0.000 2.042 124 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 124 L C 2.843 179.733 176.870 0.034 0.000 1.076 124 L CA 1.401 56.262 54.840 0.034 0.000 0.749 124 L CB -0.512 41.567 42.059 0.032 0.000 0.893 124 L HN 0.234 nan 8.230 nan 0.000 0.432 125 R N -0.773 119.754 120.500 0.045 0.000 2.115 125 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 125 R C 2.312 178.631 176.300 0.032 0.000 1.111 125 R CA 0.757 56.879 56.100 0.037 0.000 0.976 125 R CB -0.200 30.125 30.300 0.042 0.000 0.870 125 R HN 0.379 nan 8.270 nan 0.000 0.445 126 Q N 0.803 120.627 119.800 0.041 0.000 2.226 126 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 126 Q C 1.025 177.031 176.000 0.010 0.000 0.975 126 Q CA 1.389 57.208 55.803 0.027 0.000 0.866 126 Q CB 0.161 28.920 28.738 0.036 0.000 0.915 126 Q HN 0.315 nan 8.270 nan 0.000 0.440 127 K N -0.872 119.536 120.400 0.012 0.000 2.410 127 K HA 0.162 4.482 4.320 -0.000 0.000 0.200 127 K C 0.708 177.310 176.600 0.004 0.000 1.023 127 K CA 0.372 56.660 56.287 0.002 0.000 1.149 127 K CB 0.543 33.043 32.500 -0.001 0.000 0.859 127 K HN 0.226 nan 8.250 nan 0.000 0.514 128 G N 1.961 110.767 108.800 0.008 0.000 2.233 128 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.270 128 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.270 128 G C 0.031 174.937 174.900 0.010 0.000 1.011 128 G CA 0.300 45.405 45.100 0.009 0.000 0.762 128 G HN 0.216 nan 8.290 nan 0.000 0.511 129 L N 0.167 121.397 121.223 0.011 0.000 2.379 129 L HA 0.655 4.995 4.340 -0.000 0.000 0.269 129 L C 0.883 177.763 176.870 0.017 0.000 1.084 129 L CA 0.051 54.898 54.840 0.012 0.000 0.802 129 L CB 1.888 43.951 42.059 0.006 0.000 1.175 129 L HN 0.391 nan 8.230 nan 0.000 0.448 130 S N -0.070 115.641 115.700 0.019 0.000 2.593 130 S HA 0.317 4.787 4.470 -0.000 0.000 0.178 130 S C -2.088 172.528 174.600 0.028 0.000 1.114 130 S CA -0.934 57.281 58.200 0.024 0.000 1.199 130 S CB -0.140 63.073 63.200 0.021 0.000 1.564 130 S HN 0.448 nan 8.310 nan 0.000 0.407 131 P HA 0.316 nan 4.420 nan 0.000 0.273 131 P C 0.034 177.363 177.300 0.049 0.000 1.250 131 P CA -0.361 62.764 63.100 0.041 0.000 0.793 131 P CB 0.963 32.691 31.700 0.047 0.000 1.011 132 V N 1.818 121.766 119.914 0.057 0.000 2.530 132 V HA 0.214 4.334 4.120 -0.000 0.000 0.282 132 V C -0.605 175.543 176.094 0.090 0.000 1.048 132 V CA -0.408 61.930 62.300 0.063 0.000 0.997 132 V CB 0.103 31.959 31.823 0.056 0.000 0.987 132 V HN 0.257 nan 8.190 nan 0.000 0.477 133 L N 7.241 128.513 121.223 0.082 0.000 2.322 133 L HA 0.665 5.005 4.340 -0.000 0.000 0.281 133 L C -0.063 176.863 176.870 0.094 0.000 1.014 133 L CA 0.015 54.909 54.840 0.089 0.000 0.815 133 L CB 1.640 43.738 42.059 0.064 0.000 1.247 133 L HN 0.892 nan 8.230 nan 0.000 0.421 134 E N 2.490 122.760 120.200 0.116 0.000 2.343 134 E HA 0.543 4.893 4.350 -0.000 0.000 0.278 134 E C -1.043 175.600 176.600 0.071 0.000 0.910 134 E CA -1.159 55.306 56.400 0.109 0.000 0.757 134 E CB 1.600 31.392 29.700 0.153 0.000 1.218 134 E HN 0.202 nan 8.360 nan 0.000 0.435 135 R N 1.055 121.586 120.500 0.051 0.000 2.489 135 R HA 0.547 4.887 4.340 -0.000 0.000 0.287 135 R C -0.533 175.781 176.300 0.024 0.000 1.053 135 R CA 0.195 56.308 56.100 0.022 0.000 1.036 135 R CB 0.947 31.264 30.300 0.028 0.000 0.966 135 R HN 0.693 nan 8.270 nan 0.000 0.432 136 A N 2.253 125.055 122.820 -0.030 0.000 2.604 136 A HA 0.470 4.790 4.320 -0.000 0.000 0.295 136 A C -1.310 176.242 177.584 -0.054 0.000 1.067 136 A CA -0.694 51.326 52.037 -0.027 0.000 0.683 136 A CB 1.932 20.879 19.000 -0.088 0.000 1.281 136 A HN 0.475 nan 8.150 nan 0.000 0.407 137 E N -0.303 119.883 120.200 -0.023 0.000 2.212 137 E HA 0.771 5.121 4.350 -0.000 0.000 0.268 137 E C 0.084 176.666 176.600 -0.029 0.000 0.902 137 E CA 0.601 56.987 56.400 -0.025 0.000 0.779 137 E CB 1.838 31.536 29.700 -0.003 0.000 1.172 137 E HN 1.835 nan 8.360 nan 0.000 0.409 138 G N 0.966 109.741 108.800 -0.041 0.000 2.368 138 G HA2 0.226 4.186 3.960 -0.000 0.000 0.302 138 G HA3 0.226 4.186 3.960 -0.000 0.000 0.302 138 G C -0.499 174.357 174.900 -0.072 0.000 1.329 138 G CA -0.276 44.798 45.100 -0.044 0.000 0.935 138 G HN 0.679 nan 8.290 nan 0.000 0.590 139 T N -1.340 113.166 114.554 -0.080 0.000 2.828 139 T HA 0.602 4.952 4.350 -0.000 0.000 0.290 139 T C 1.889 176.474 174.700 -0.190 0.000 1.019 139 T CA 0.946 62.968 62.100 -0.130 0.000 1.031 139 T CB 1.444 70.243 68.868 -0.114 0.000 1.001 139 T HN 2.055 nan 8.240 nan 0.000 0.531 140 A N 0.496 123.105 122.820 -0.351 0.000 1.940 140 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 140 A C 2.280 179.713 177.584 -0.252 0.000 1.176 140 A CA 1.759 53.517 52.037 -0.465 0.000 0.631 140 A CB -1.015 17.180 19.000 -1.343 0.000 0.814 140 A HN 0.982 nan 8.150 nan 0.000 0.446 141 E N -0.158 119.915 120.200 -0.211 0.000 2.152 141 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 141 E C 2.408 178.981 176.600 -0.044 0.000 0.983 141 E CA 1.161 57.503 56.400 -0.096 0.000 0.818 141 E CB -0.050 29.600 29.700 -0.082 0.000 0.758 141 E HN 0.821 nan 8.360 nan 0.000 0.467 142 S N 0.600 116.270 115.700 -0.049 0.000 2.357 142 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 142 S C 2.045 176.661 174.600 0.025 0.000 1.031 142 S CA 0.573 58.767 58.200 -0.011 0.000 0.982 142 S CB -0.452 62.739 63.200 -0.015 0.000 0.853 142 S HN 0.158 nan 8.310 nan 0.000 0.458 143 L N 0.203 121.434 121.223 0.013 0.000 2.141 143 L HA 0.060 4.400 4.340 -0.000 0.000 0.209 143 L C 2.402 179.379 176.870 0.180 0.000 1.094 143 L CA 0.506 55.396 54.840 0.084 0.000 0.763 143 L CB -0.470 41.542 42.059 -0.079 0.000 0.908 143 L HN 0.287 nan 8.230 nan 0.000 0.437 144 L N -0.367 120.915 121.223 0.098 0.000 2.376 144 L HA -0.033 4.307 4.340 -0.000 0.000 0.219 144 L C 2.241 179.174 176.870 0.105 0.000 1.133 144 L CA 1.409 56.325 54.840 0.127 0.000 0.816 144 L CB -0.614 41.496 42.059 0.086 0.000 0.933 144 L HN 0.138 nan 8.230 nan 0.000 0.449 145 A N -1.716 121.151 122.820 0.080 0.000 2.303 145 A HA 0.518 4.838 4.320 -0.000 0.000 0.217 145 A C 1.596 179.216 177.584 0.060 0.000 1.205 145 A CA 0.509 52.579 52.037 0.055 0.000 0.875 145 A CB -0.228 18.792 19.000 0.032 0.000 0.910 145 A HN 0.221 nan 8.150 nan 0.000 0.501 146 A N -0.717 122.164 122.820 0.101 0.000 3.003 146 A HA 0.498 4.818 4.320 -0.000 0.000 0.301 146 A C 1.273 178.882 177.584 0.040 0.000 1.280 146 A CA 0.453 52.544 52.037 0.091 0.000 0.973 146 A CB -1.221 17.861 19.000 0.137 0.000 1.110 146 A HN 1.674 nan 8.150 nan 0.000 0.590 147 G N -1.205 107.594 108.800 -0.002 0.000 2.137 147 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.237 147 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.237 147 G C -0.298 174.455 174.900 -0.245 0.000 1.002 147 G CA 0.346 45.370 45.100 -0.127 0.000 0.702 147 G HN 0.538 nan 8.290 nan 0.000 0.515 148 Y N 0.185 120.506 120.300 0.035 0.000 2.376 148 Y HA 0.459 5.009 4.550 -0.000 0.000 0.340 148 Y C 0.812 176.748 175.900 0.061 0.000 0.965 148 Y CA -0.565 57.563 58.100 0.046 0.000 1.078 148 Y CB 1.762 40.250 38.460 0.048 0.000 1.193 148 Y HN 0.150 nan 8.280 nan 0.000 0.452 149 D N -0.015 120.520 120.400 0.224 0.000 2.349 149 D HA 0.245 4.885 4.640 -0.000 0.000 0.214 149 D C 0.473 176.909 176.300 0.227 0.000 1.063 149 D CA 0.210 54.320 54.000 0.183 0.000 0.847 149 D CB 0.608 41.489 40.800 0.134 0.000 0.933 149 D HN 0.578 nan 8.370 nan 0.000 0.513 150 G N -0.723 108.224 108.800 0.245 0.000 2.746 150 G HA2 0.530 4.490 3.960 -0.000 0.000 0.297 150 G HA3 0.530 4.490 3.960 -0.000 0.000 0.297 150 G C -1.741 173.257 174.900 0.165 0.000 1.426 150 G CA -0.681 44.555 45.100 0.226 0.000 0.989 150 G HN 0.024 nan 8.290 nan 0.000 0.520 151 V N 2.118 122.140 119.914 0.180 0.000 2.668 151 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 151 V C -0.789 175.420 176.094 0.192 0.000 1.071 151 V CA -0.779 61.576 62.300 0.091 0.000 0.894 151 V CB 1.679 33.517 31.823 0.024 0.000 1.008 151 V HN 0.824 nan 8.190 nan 0.000 0.425 152 L N 6.474 127.756 121.223 0.100 0.000 2.265 152 L HA 0.678 5.018 4.340 -0.000 0.000 0.288 152 L C -0.078 176.862 176.870 0.117 0.000 1.058 152 L CA 0.366 55.279 54.840 0.121 0.000 0.809 152 L CB 0.540 42.634 42.059 0.059 0.000 1.179 152 L HN 0.618 nan 8.230 nan 0.000 0.429 153 R N 5.844 126.460 120.500 0.194 0.000 2.686 153 R HA 0.717 5.057 4.340 -0.000 0.000 0.283 153 R C -1.282 175.080 176.300 0.104 0.000 0.978 153 R CA -0.853 55.339 56.100 0.153 0.000 0.897 153 R CB 2.105 32.538 30.300 0.222 0.000 1.192 153 R HN 0.690 nan 8.270 nan 0.000 0.457 154 I N -1.899 118.694 120.570 0.038 0.000 2.934 154 I HA 0.851 5.020 4.170 -0.000 0.000 0.306 154 I C 0.412 176.508 176.117 -0.035 0.000 1.110 154 I CA -0.551 60.730 61.300 -0.033 0.000 1.019 154 I CB 1.974 39.927 38.000 -0.079 0.000 1.227 154 I HN 0.817 nan 8.210 nan 0.000 0.434 155 G N 2.551 111.293 108.800 -0.097 0.000 2.627 155 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 155 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 155 G C 0.022 174.914 174.900 -0.012 0.000 1.331 155 G CA 0.191 45.241 45.100 -0.083 0.000 0.891 155 G HN 0.766 nan 8.290 nan 0.000 0.539 156 D N 0.154 120.574 120.400 0.034 0.000 2.133 156 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 156 D C 1.981 178.307 176.300 0.044 0.000 0.997 156 D CA 1.710 55.731 54.000 0.035 0.000 0.840 156 D CB -0.206 40.649 40.800 0.092 0.000 0.947 156 D HN 0.469 nan 8.370 nan 0.000 0.452 157 D N 0.493 120.928 120.400 0.058 0.000 2.144 157 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 157 D C 2.023 178.381 176.300 0.096 0.000 0.984 157 D CA 1.076 55.112 54.000 0.059 0.000 0.834 157 D CB -0.173 40.649 40.800 0.037 0.000 0.955 157 D HN 0.155 nan 8.370 nan 0.000 0.465 158 A N 0.970 123.856 122.820 0.109 0.000 1.902 158 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 158 A C 2.173 179.917 177.584 0.266 0.000 1.181 158 A CA 0.955 53.119 52.037 0.212 0.000 0.623 158 A CB -0.668 18.411 19.000 0.132 0.000 0.818 158 A HN 0.222 nan 8.150 nan 0.000 0.443 159 L N 0.904 122.203 121.223 0.127 0.000 1.994 159 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 159 L C 2.616 179.688 176.870 0.335 0.000 1.071 159 L CA 2.581 57.498 54.840 0.128 0.000 0.745 159 L CB -0.570 41.369 42.059 -0.200 0.000 0.892 159 L HN 0.568 nan 8.230 nan 0.000 0.431 160 R N -0.978 119.649 120.500 0.212 0.000 2.236 160 R HA -0.045 4.295 4.340 -0.000 0.000 0.208 160 R C 1.682 178.130 176.300 0.248 0.000 1.036 160 R CA 1.203 57.443 56.100 0.234 0.000 1.001 160 R CB -0.613 29.767 30.300 0.133 0.000 0.896 160 R HN 0.478 nan 8.270 nan 0.000 0.464 161 E N 0.479 120.829 120.200 0.251 0.000 2.230 161 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 161 E C 1.439 178.289 176.600 0.417 0.000 0.987 161 E CA 0.768 57.278 56.400 0.182 0.000 0.841 161 E CB -0.107 29.564 29.700 -0.048 0.000 0.783 161 E HN 0.467 nan 8.360 nan 0.000 0.481 162 W N 0.549 122.091 121.300 0.403 0.000 2.379 162 W HA -0.233 4.427 4.660 -0.000 0.000 0.307 162 W C 1.920 178.574 176.519 0.225 0.000 1.200 162 W CA 1.118 58.663 57.345 0.333 0.000 1.297 162 W CB -0.534 29.041 29.460 0.192 0.000 1.140 162 W HN 0.035 nan 8.180 nan 0.000 0.507 163 Y N 1.431 121.613 120.300 -0.197 0.000 2.200 163 Y HA -0.004 4.546 4.550 -0.000 0.000 0.290 163 Y C 2.527 178.231 175.900 -0.326 0.000 1.137 163 Y CA 2.419 60.160 58.100 -0.599 0.000 1.163 163 Y CB -0.923 37.404 38.460 -0.222 0.000 0.988 163 Y HN 0.014 nan 8.280 nan 0.000 0.518 164 G N -1.010 107.718 108.800 -0.121 0.000 2.470 164 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 164 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 164 G C 1.535 176.316 174.900 -0.198 0.000 1.121 164 G CA 1.321 46.328 45.100 -0.155 0.000 0.766 164 G HN 0.374 nan 8.290 nan 0.000 0.553 165 V N 0.487 120.298 119.914 -0.170 0.000 2.403 165 V HA -0.060 4.060 4.120 -0.000 0.000 0.239 165 V C 2.869 178.818 176.094 -0.242 0.000 1.041 165 V CA 1.464 63.688 62.300 -0.126 0.000 1.051 165 V CB 0.160 32.014 31.823 0.051 0.000 0.704 165 V HN 0.325 nan 8.190 nan 0.000 0.472 166 V N -0.820 118.854 119.914 -0.399 0.000 3.541 166 V HA 0.391 4.511 4.120 -0.000 0.000 0.267 166 V C 1.141 176.948 176.094 -0.478 0.000 1.213 166 V CA 0.701 62.761 62.300 -0.399 0.000 1.149 166 V CB -1.131 30.438 31.823 -0.423 0.000 0.822 166 V HN 0.329 nan 8.190 nan 0.000 0.462 167 G N 1.607 109.982 108.800 -0.708 0.000 2.535 167 G HA2 0.532 4.492 3.960 -0.000 0.000 0.282 167 G HA3 0.532 4.492 3.960 -0.000 0.000 0.282 167 G C -2.014 172.603 174.900 -0.471 0.000 1.350 167 G CA -0.575 44.032 45.100 -0.823 0.000 1.039 167 G HN 0.484 nan 8.290 nan 0.000 0.509 168 P HA 0.412 nan 4.420 nan 0.000 0.284 168 P C -1.182 176.040 177.300 -0.130 0.000 1.292 168 P CA -0.666 62.217 63.100 -0.362 0.000 0.800 168 P CB 1.336 32.948 31.700 -0.147 0.000 1.188 169 L N 0.762 122.041 121.223 0.093 0.000 2.309 169 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 169 L C 0.311 177.218 176.870 0.061 0.000 1.036 169 L CA 0.034 54.940 54.840 0.109 0.000 0.806 169 L CB 0.919 43.099 42.059 0.202 0.000 1.220 169 L HN 0.596 nan 8.230 nan 0.000 0.429 170 T N 1.962 116.535 114.554 0.031 0.000 2.925 170 T HA 0.523 4.873 4.350 -0.000 0.000 0.285 170 T C -1.865 172.844 174.700 0.016 0.000 1.021 170 T CA -1.645 60.466 62.100 0.018 0.000 1.042 170 T CB 1.402 70.273 68.868 0.005 0.000 1.037 170 T HN 0.569 nan 8.240 nan 0.000 0.481 171 P HA -0.157 nan 4.420 nan 0.000 0.218 171 P C 1.251 178.550 177.300 -0.000 0.000 1.148 171 P CA 1.169 64.272 63.100 0.005 0.000 0.822 171 P CB 0.235 31.937 31.700 0.003 0.000 0.784 172 E N 0.061 120.261 120.200 0.000 0.000 2.122 172 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 172 E C 1.141 177.740 176.600 -0.001 0.000 0.977 172 E CA 0.489 56.888 56.400 -0.002 0.000 0.820 172 E CB -0.526 29.174 29.700 -0.001 0.000 0.770 172 E HN 0.036 nan 8.360 nan 0.000 0.462 173 R N 1.146 121.649 120.500 0.004 0.000 2.531 173 R HA 0.259 4.599 4.340 -0.000 0.000 0.273 173 R C -0.076 176.227 176.300 0.005 0.000 1.070 173 R CA 0.102 56.206 56.100 0.008 0.000 1.112 173 R CB 0.976 31.284 30.300 0.014 0.000 1.049 173 R HN 0.110 nan 8.270 nan 0.000 0.508 177 S N 0.788 116.561 115.700 0.121 0.000 2.855 177 S HA 0.499 4.969 4.470 -0.000 0.000 0.249 177 S C -0.144 174.532 174.600 0.127 0.000 1.033 177 S CA -0.522 57.746 58.200 0.114 0.000 1.038 177 S CB 0.283 63.522 63.200 0.066 0.000 0.960 177 S HN 0.238 nan 8.310 nan 0.000 0.548 178 L N 4.071 125.399 121.223 0.174 0.000 2.417 178 L HA 0.548 4.888 4.340 -0.000 0.000 0.268 178 L C -1.878 175.088 176.870 0.159 0.000 1.158 178 L CA -1.596 53.332 54.840 0.147 0.000 0.819 178 L CB -0.025 42.153 42.059 0.199 0.000 1.112 178 L HN 0.165 nan 8.230 nan 0.000 0.458 179 P HA 0.021 nan 4.420 nan 0.000 0.271 179 P C -0.012 177.372 177.300 0.140 0.000 1.233 179 P CA 0.050 63.225 63.100 0.125 0.000 0.789 179 P CB 0.586 32.313 31.700 0.046 0.000 0.951 180 H N -1.460 117.654 119.070 0.073 0.000 2.595 180 H HA 0.128 4.684 4.556 -0.000 0.000 0.265 180 H C 0.187 175.535 175.328 0.033 0.000 0.953 180 H CA 0.621 56.722 56.048 0.088 0.000 1.197 180 H CB 0.824 30.630 29.762 0.073 0.000 1.438 180 H HN 0.412 nan 8.280 nan 0.000 0.531 181 T N -0.361 114.255 114.554 0.102 0.000 2.924 181 T HA 0.585 4.935 4.350 -0.000 0.000 0.291 181 T C 0.017 174.710 174.700 -0.012 0.000 1.045 181 T CA -0.708 61.407 62.100 0.026 0.000 1.015 181 T CB 2.417 71.296 68.868 0.018 0.000 1.103 181 T HN 0.319 nan 8.240 nan 0.000 0.496 182 G N 0.620 109.406 108.800 -0.025 0.000 2.728 182 G HA2 0.489 4.449 3.960 -0.000 0.000 0.294 182 G HA3 0.489 4.449 3.960 -0.000 0.000 0.294 182 G C -0.617 174.266 174.900 -0.029 0.000 1.398 182 G CA -0.992 44.082 45.100 -0.043 0.000 1.183 182 G HN 0.661 nan 8.290 nan 0.000 0.578 183 R N 0.723 121.205 120.500 -0.031 0.000 3.251 183 R HA -0.241 4.099 4.340 -0.000 0.000 0.249 183 R C 1.466 177.760 176.300 -0.010 0.000 0.949 183 R CA 1.240 57.328 56.100 -0.022 0.000 0.645 183 R CB -1.449 28.836 30.300 -0.026 0.000 1.065 183 R HN 2.378 nan 8.270 nan 0.000 0.452 184 G N -0.405 108.389 108.800 -0.010 0.000 2.155 184 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 184 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 184 G C 0.227 175.120 174.900 -0.012 0.000 0.983 184 G CA 0.532 45.628 45.100 -0.007 0.000 0.676 184 G HN 0.497 nan 8.290 nan 0.000 0.528 185 I N 1.176 121.739 120.570 -0.013 0.000 2.406 185 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 185 I C 0.031 176.111 176.117 -0.062 0.000 0.999 185 I CA -0.642 60.652 61.300 -0.011 0.000 1.124 185 I CB 2.064 40.106 38.000 0.069 0.000 1.289 185 I HN -0.021 nan 8.210 nan 0.000 0.441 186 T N 5.545 119.961 114.554 -0.229 0.000 2.829 186 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 186 T C -0.148 174.397 174.700 -0.257 0.000 0.990 186 T CA -0.461 61.463 62.100 -0.294 0.000 1.028 186 T CB 1.913 70.463 68.868 -0.529 0.000 0.951 186 T HN 0.196 nan 8.240 nan 0.000 0.460 187 V N 3.881 123.744 119.914 -0.085 0.000 2.328 187 V HA 0.354 4.474 4.120 -0.000 0.000 0.278 187 V C 0.311 176.405 176.094 0.000 0.000 1.021 187 V CA -0.704 61.490 62.300 -0.176 0.000 0.838 187 V CB 1.238 32.965 31.823 -0.159 0.000 0.999 187 V HN 0.961 nan 8.190 nan 0.000 0.447 188 T N 3.944 118.527 114.554 0.048 0.000 2.753 188 T HA 0.187 4.537 4.350 -0.000 0.000 0.297 188 T C -0.173 174.504 174.700 -0.037 0.000 0.981 188 T CA -0.223 61.934 62.100 0.095 0.000 0.956 188 T CB 0.610 69.558 68.868 0.134 0.000 0.936 188 T HN 0.692 nan 8.240 nan 0.000 0.463 189 D N 3.786 124.155 120.400 -0.052 0.000 2.338 189 D HA 0.097 4.737 4.640 -0.000 0.000 0.255 189 D C 1.249 177.513 176.300 -0.060 0.000 1.237 189 D CA -0.220 53.702 54.000 -0.130 0.000 0.883 189 D CB 0.809 41.478 40.800 -0.219 0.000 1.087 189 D HN 0.474 nan 8.370 nan 0.000 0.485 190 L N 3.359 124.542 121.223 -0.068 0.000 2.131 190 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 190 L C 2.446 179.302 176.870 -0.023 0.000 1.092 190 L CA 0.907 55.721 54.840 -0.043 0.000 0.759 190 L CB -0.412 41.599 42.059 -0.080 0.000 0.903 190 L HN 0.411 nan 8.230 nan 0.000 0.435 191 A N -0.048 122.777 122.820 0.008 0.000 1.930 191 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 191 A C 2.248 179.924 177.584 0.153 0.000 1.175 191 A CA 1.639 53.720 52.037 0.074 0.000 0.627 191 A CB -0.420 18.676 19.000 0.161 0.000 0.815 191 A HN 0.379 nan 8.150 nan 0.000 0.443 192 Q N 0.081 119.923 119.800 0.070 0.000 2.084 192 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 192 Q C 1.790 177.893 176.000 0.172 0.000 0.978 192 Q CA 1.996 57.870 55.803 0.119 0.000 0.844 192 Q CB -0.297 28.472 28.738 0.052 0.000 0.898 192 Q HN 0.589 nan 8.270 nan 0.000 0.426 193 E N -0.461 119.811 120.200 0.120 0.000 2.110 193 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 193 E C 1.608 178.293 176.600 0.142 0.000 0.988 193 E CA 0.909 57.369 56.400 0.100 0.000 0.804 193 E CB -0.629 29.114 29.700 0.072 0.000 0.745 193 E HN 0.588 nan 8.360 nan 0.000 0.458 194 W N 0.310 121.605 121.300 -0.007 0.000 2.381 194 W HA -0.232 4.428 4.660 -0.000 0.000 0.301 194 W C 1.953 178.507 176.519 0.058 0.000 1.205 194 W CA 0.938 58.297 57.345 0.023 0.000 1.285 194 W CB -0.428 29.042 29.460 0.016 0.000 1.133 194 W HN 0.044 nan 8.180 nan 0.000 0.521 195 F N 2.453 122.443 119.950 0.067 0.000 2.102 195 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 195 F C 2.022 177.741 175.800 -0.134 0.000 1.105 195 F CA 2.308 60.276 58.000 -0.053 0.000 1.239 195 F CB -0.929 38.083 39.000 0.020 0.000 0.991 195 F HN -0.268 nan 8.300 nan 0.000 0.474 196 D N 0.367 120.634 120.400 -0.222 0.000 2.221 196 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 196 D C 2.154 178.234 176.300 -0.367 0.000 0.982 196 D CA 1.286 55.104 54.000 -0.304 0.000 0.857 196 D CB -0.299 40.450 40.800 -0.084 0.000 0.934 196 D HN 0.379 nan 8.370 nan 0.000 0.475 197 L N -0.141 120.868 121.223 -0.357 0.000 2.249 197 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 197 L C 1.957 178.497 176.870 -0.550 0.000 1.090 197 L CA 1.540 56.151 54.840 -0.382 0.000 0.802 197 L CB -0.073 41.805 42.059 -0.301 0.000 0.947 197 L HN 0.052 nan 8.230 nan 0.000 0.453 198 T N -5.732 108.365 114.554 -0.762 0.000 2.975 198 T HA 0.330 4.680 4.350 -0.000 0.000 0.261 198 T C 1.428 175.575 174.700 -0.922 0.000 0.984 198 T CA 0.353 61.945 62.100 -0.846 0.000 0.911 198 T CB 0.270 68.508 68.868 -1.050 0.000 1.127 198 T HN 0.456 nan 8.240 nan 0.000 0.514 199 G N 1.266 109.551 108.800 -0.859 0.000 2.175 199 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.265 199 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.265 199 G C -0.078 174.810 174.900 -0.020 0.000 0.979 199 G CA 0.723 45.365 45.100 -0.764 0.000 0.663 199 G HN 0.842 nan 8.290 nan 0.000 0.533 200 H N -0.107 118.978 119.070 0.026 0.000 2.710 200 H HA 0.501 5.057 4.556 -0.000 0.000 0.361 200 H C -2.412 173.133 175.328 0.361 0.000 1.175 200 H CA -2.557 53.600 56.048 0.181 0.000 1.206 200 H CB 2.003 31.833 29.762 0.112 0.000 1.750 200 H HN 0.116 nan 8.280 nan 0.000 0.553 201 P HA 0.013 nan 4.420 nan 0.000 0.273 201 P C -1.269 176.274 177.300 0.405 0.000 1.250 201 P CA -0.053 63.248 63.100 0.335 0.000 0.793 201 P CB 0.671 32.455 31.700 0.140 0.000 1.011 202 F N -0.004 119.952 119.950 0.009 0.000 2.507 202 F HA 0.409 4.935 4.527 -0.000 0.000 0.325 202 F C -0.501 175.007 175.800 -0.486 0.000 1.116 202 F CA -0.218 57.520 58.000 -0.438 0.000 0.930 202 F CB 1.397 39.852 39.000 -0.908 0.000 1.146 202 F HN 0.033 nan 8.300 nan 0.000 0.447 203 T N 7.388 121.364 114.554 -0.965 0.000 2.753 203 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 203 T C 0.603 174.973 174.700 -0.551 0.000 0.981 203 T CA 0.008 61.807 62.100 -0.501 0.000 0.956 203 T CB 0.276 68.951 68.868 -0.322 0.000 0.936 203 T HN 0.470 nan 8.240 nan 0.000 0.463 204 F N 1.916 121.876 119.950 0.017 0.000 2.569 204 F HA 0.497 5.024 4.527 -0.000 0.000 0.295 204 F C 1.417 177.222 175.800 0.008 0.000 1.115 204 F CA -0.124 57.922 58.000 0.077 0.000 1.450 204 F CB 0.302 39.352 39.000 0.085 0.000 1.107 204 F HN 0.607 nan 8.300 nan 0.000 0.563 205 A N -0.565 122.346 122.820 0.151 0.000 2.605 205 A HA 0.676 4.996 4.320 -0.000 0.000 0.294 205 A C -1.075 176.535 177.584 0.044 0.000 1.062 205 A CA -0.338 51.737 52.037 0.063 0.000 0.682 205 A CB 0.831 19.833 19.000 0.003 0.000 1.278 205 A HN 0.073 nan 8.150 nan 0.000 0.410 206 V N -3.126 116.772 119.914 -0.027 0.000 3.119 206 V HA 0.811 4.931 4.120 -0.000 0.000 0.311 206 V C -1.091 174.968 176.094 -0.059 0.000 1.259 206 V CA -1.123 61.206 62.300 0.048 0.000 1.067 206 V CB 1.894 33.648 31.823 -0.114 0.000 1.123 206 V HN 0.953 nan 8.190 nan 0.000 0.463 207 W N 1.203 122.504 121.300 0.002 0.000 2.296 207 W HA 0.803 5.463 4.660 -0.000 0.000 0.316 207 W C -0.060 176.477 176.519 0.030 0.000 1.022 207 W CA -0.116 57.263 57.345 0.056 0.000 1.324 207 W CB 1.720 31.208 29.460 0.046 0.000 1.227 207 W HN 1.045 nan 8.180 nan 0.000 0.409 208 A N 4.826 127.703 122.820 0.094 0.000 2.311 208 A HA 0.909 5.229 4.320 -0.000 0.000 0.334 208 A C -1.659 176.029 177.584 0.174 0.000 1.139 208 A CA -0.367 51.672 52.037 0.004 0.000 0.830 208 A CB 1.535 20.500 19.000 -0.058 0.000 1.234 208 A HN 0.585 nan 8.150 nan 0.000 0.483 209 Y N -1.641 118.717 120.300 0.097 0.000 2.592 209 Y HA 0.666 5.216 4.550 -0.000 0.000 0.334 209 Y C -0.439 175.517 175.900 0.094 0.000 1.136 209 Y CA -1.321 56.836 58.100 0.096 0.000 1.042 209 Y CB 0.802 39.356 38.460 0.157 0.000 1.325 209 Y HN 0.674 nan 8.280 nan 0.000 0.457 210 R N 2.555 123.175 120.500 0.200 0.000 2.522 210 R HA 0.108 4.448 4.340 -0.000 0.000 0.284 210 R C 0.801 177.219 176.300 0.197 0.000 1.032 210 R CA 0.041 56.215 56.100 0.124 0.000 1.049 210 R CB 0.653 31.015 30.300 0.104 0.000 0.956 210 R HN 0.843 nan 8.270 nan 0.000 0.422 211 K N 1.977 122.424 120.400 0.079 0.000 2.107 211 K HA -0.272 4.048 4.320 -0.000 0.000 0.211 211 K C 1.183 177.901 176.600 0.197 0.000 1.049 211 K CA 2.458 58.814 56.287 0.115 0.000 0.927 211 K CB -0.106 32.426 32.500 0.053 0.000 0.714 211 K HN 0.696 nan 8.250 nan 0.000 0.452 212 D N -0.751 119.738 120.400 0.147 0.000 2.347 212 D HA -0.107 4.533 4.640 -0.000 0.000 0.215 212 D C 0.571 176.958 176.300 0.145 0.000 0.976 212 D CA 0.489 54.565 54.000 0.126 0.000 0.884 212 D CB -0.103 40.746 40.800 0.082 0.000 0.915 212 D HN 0.006 nan 8.370 nan 0.000 0.526 213 N N 0.460 119.283 118.700 0.205 0.000 2.914 213 N HA 0.267 5.007 4.740 -0.000 0.000 0.304 213 N C -2.744 172.909 175.510 0.238 0.000 1.727 213 N CA -2.156 51.016 53.050 0.205 0.000 0.986 213 N CB 0.401 38.987 38.487 0.165 0.000 1.297 213 N HN -0.089 nan 8.380 nan 0.000 0.490 214 P HA 0.092 nan 4.420 nan 0.000 0.267 214 P C -2.621 174.471 177.300 -0.346 0.000 1.201 214 P CA -0.659 62.291 63.100 -0.251 0.000 0.775 214 P CB 0.141 31.769 31.700 -0.120 0.000 0.854 215 P HA 0.228 nan 4.420 nan 0.000 0.281 215 P C -2.462 174.439 177.300 -0.665 0.000 1.249 215 P CA -1.840 60.709 63.100 -0.919 0.000 0.810 215 P CB -0.376 30.967 31.700 -0.595 0.000 1.008 216 P HA 0.080 nan 4.420 nan 0.000 0.275 216 P C 0.783 177.926 177.300 -0.261 0.000 1.227 216 P CA -0.118 62.751 63.100 -0.385 0.000 0.781 216 P CB 0.695 32.192 31.700 -0.338 0.000 0.906 217 A N 4.062 126.779 122.820 -0.173 0.000 1.927 217 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 217 A C 2.262 179.783 177.584 -0.105 0.000 1.185 217 A CA 2.508 54.474 52.037 -0.120 0.000 0.639 217 A CB -1.596 17.356 19.000 -0.081 0.000 0.820 217 A HN 0.623 nan 8.150 nan 0.000 0.451 218 A N -0.970 121.789 122.820 -0.100 0.000 1.978 218 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 218 A C 2.108 179.645 177.584 -0.079 0.000 1.170 218 A CA 1.814 53.806 52.037 -0.075 0.000 0.636 218 A CB -0.502 18.461 19.000 -0.062 0.000 0.810 218 A HN 0.751 nan 8.150 nan 0.000 0.448 219 L N -0.425 120.729 121.223 -0.115 0.000 2.109 219 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 219 L C 2.176 178.972 176.870 -0.123 0.000 1.086 219 L CA 1.413 56.193 54.840 -0.099 0.000 0.760 219 L CB -0.408 41.574 42.059 -0.129 0.000 0.910 219 L HN 0.394 nan 8.230 nan 0.000 0.437 220 L N -0.942 120.196 121.223 -0.143 0.000 2.056 220 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 220 L C 2.576 179.399 176.870 -0.077 0.000 1.078 220 L CA 1.556 56.312 54.840 -0.140 0.000 0.749 220 L CB -0.641 41.357 42.059 -0.101 0.000 0.901 220 L HN 0.442 nan 8.230 nan 0.000 0.433 221 Q N 0.541 120.307 119.800 -0.057 0.000 2.172 221 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 221 Q C 1.267 177.247 176.000 -0.033 0.000 0.964 221 Q CA 0.809 56.593 55.803 -0.031 0.000 0.855 221 Q CB 0.177 28.898 28.738 -0.029 0.000 0.918 221 Q HN 0.489 nan 8.270 nan 0.000 0.444 225 E N 1.445 121.640 120.200 -0.009 0.000 2.107 225 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 225 E C 1.851 178.435 176.600 -0.027 0.000 0.982 225 E CA 1.262 57.654 56.400 -0.014 0.000 0.809 225 E CB 0.054 29.745 29.700 -0.014 0.000 0.756 225 E HN 0.363 nan 8.360 nan 0.000 0.459 226 A N 1.568 124.362 122.820 -0.044 0.000 1.877 226 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 226 A C 2.100 179.638 177.584 -0.078 0.000 1.186 226 A CA 1.638 53.638 52.037 -0.062 0.000 0.620 226 A CB -0.471 18.476 19.000 -0.087 0.000 0.822 226 A HN 0.090 nan 8.150 nan 0.000 0.443 227 R N -0.418 120.021 120.500 -0.101 0.000 2.083 227 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 227 R C 2.428 178.678 176.300 -0.083 0.000 1.137 227 R CA 1.713 57.718 56.100 -0.159 0.000 0.951 227 R CB -0.291 29.862 30.300 -0.245 0.000 0.851 227 R HN 0.530 nan 8.270 nan 0.000 0.434 228 R N -0.064 120.415 120.500 -0.036 0.000 2.096 228 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 228 R C 2.522 178.857 176.300 0.058 0.000 1.139 228 R CA 2.039 58.150 56.100 0.017 0.000 0.952 228 R CB -0.336 29.978 30.300 0.022 0.000 0.854 228 R HN 0.308 nan 8.270 nan 0.000 0.436 229 R N -0.338 120.186 120.500 0.039 0.000 2.083 229 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 229 R C 2.475 178.851 176.300 0.127 0.000 1.137 229 R CA 1.482 57.620 56.100 0.065 0.000 0.951 229 R CB -0.680 29.600 30.300 -0.034 0.000 0.851 229 R HN 0.363 nan 8.270 nan 0.000 0.434 230 G N 1.381 110.208 108.800 0.044 0.000 2.459 230 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 230 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 230 G C 1.472 176.441 174.900 0.114 0.000 1.183 230 G CA 0.717 45.851 45.100 0.056 0.000 0.776 230 G HN 0.180 nan 8.290 nan 0.000 0.552 231 I N 1.372 121.990 120.570 0.079 0.000 2.335 231 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 231 I C 2.902 179.105 176.117 0.144 0.000 1.129 231 I CA 0.950 62.325 61.300 0.125 0.000 1.402 231 I CB -0.228 37.835 38.000 0.105 0.000 1.069 231 I HN 0.282 nan 8.210 nan 0.000 0.424 232 G N -0.923 107.970 108.800 0.154 0.000 2.534 232 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 232 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 232 G C 0.310 175.093 174.900 -0.195 0.000 1.128 232 G CA 0.345 45.472 45.100 0.046 0.000 0.784 232 G HN 0.478 nan 8.290 nan 0.000 0.542 233 H N -0.883 118.227 119.070 0.067 0.000 2.616 233 H HA 0.334 4.890 4.556 -0.000 0.000 0.229 233 H C 0.932 176.310 175.328 0.083 0.000 1.418 233 H CA -0.828 55.259 56.048 0.065 0.000 1.248 233 H CB 0.626 30.417 29.762 0.049 0.000 1.822 233 H HN -0.013 nan 8.280 nan 0.000 0.522 234 L N 0.548 121.874 121.223 0.170 0.000 2.042 234 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 234 L C 2.427 179.391 176.870 0.155 0.000 1.076 234 L CA 2.050 56.997 54.840 0.178 0.000 0.749 234 L CB -0.751 41.432 42.059 0.208 0.000 0.893 234 L HN 0.602 nan 8.230 nan 0.000 0.432 235 A N -0.974 121.918 122.820 0.120 0.000 1.883 235 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 235 A C 2.360 180.011 177.584 0.112 0.000 1.186 235 A CA 1.982 54.078 52.037 0.099 0.000 0.624 235 A CB -0.676 18.364 19.000 0.065 0.000 0.822 235 A HN 0.507 nan 8.150 nan 0.000 0.444 236 E N -0.454 119.825 120.200 0.130 0.000 2.077 236 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 236 E C 1.849 178.526 176.600 0.128 0.000 0.989 236 E CA 1.442 57.914 56.400 0.121 0.000 0.800 236 E CB -0.117 29.665 29.700 0.138 0.000 0.746 236 E HN 0.327 nan 8.360 nan 0.000 0.452 237 V N 0.352 120.361 119.914 0.158 0.000 2.427 237 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 237 V C 2.316 178.559 176.094 0.249 0.000 1.051 237 V CA 1.769 64.186 62.300 0.196 0.000 1.048 237 V CB -0.269 31.661 31.823 0.179 0.000 0.666 237 V HN 0.241 nan 8.190 nan 0.000 0.456 238 S N -0.580 115.238 115.700 0.198 0.000 2.368 238 S HA -0.273 4.197 4.470 -0.000 0.000 0.225 238 S C 1.982 176.682 174.600 0.167 0.000 1.030 238 S CA 1.728 60.045 58.200 0.195 0.000 0.999 238 S CB -0.317 62.977 63.200 0.156 0.000 0.844 238 S HN 0.591 nan 8.310 nan 0.000 0.459 239 Q N 1.612 121.483 119.800 0.118 0.000 2.030 239 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 239 Q C 2.100 178.134 176.000 0.057 0.000 0.986 239 Q CA 1.739 57.588 55.803 0.076 0.000 0.843 239 Q CB -0.283 28.489 28.738 0.056 0.000 0.904 239 Q HN 0.357 nan 8.270 nan 0.000 0.420 240 R N -0.878 119.646 120.500 0.041 0.000 2.112 240 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 240 R C 2.500 178.728 176.300 -0.120 0.000 1.137 240 R CA 1.987 58.049 56.100 -0.064 0.000 0.944 240 R CB -0.570 29.650 30.300 -0.134 0.000 0.857 240 R HN 0.510 nan 8.270 nan 0.000 0.435 241 H N -0.772 118.333 119.070 0.059 0.000 2.428 241 H HA 0.053 4.609 4.556 -0.000 0.000 0.296 241 H C 1.997 177.355 175.328 0.050 0.000 1.062 241 H CA 1.250 57.338 56.048 0.067 0.000 1.350 241 H CB -0.128 29.698 29.762 0.106 0.000 1.403 241 H HN 0.341 nan 8.280 nan 0.000 0.533 242 A N 1.517 124.424 122.820 0.145 0.000 1.902 242 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 242 A C 2.285 179.893 177.584 0.041 0.000 1.181 242 A CA 1.671 53.753 52.037 0.074 0.000 0.623 242 A CB -0.339 18.693 19.000 0.054 0.000 0.818 242 A HN 0.482 nan 8.150 nan 0.000 0.443 243 E N -0.012 120.205 120.200 0.028 0.000 2.051 243 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 243 E C 2.060 178.667 176.600 0.011 0.000 0.991 243 E CA 1.453 57.860 56.400 0.012 0.000 0.799 243 E CB -0.220 29.479 29.700 -0.002 0.000 0.748 243 E HN 0.589 nan 8.360 nan 0.000 0.449 244 K N 0.650 121.053 120.400 0.005 0.000 2.063 244 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 244 K C 2.049 178.671 176.600 0.036 0.000 1.048 244 K CA 1.039 57.332 56.287 0.011 0.000 0.928 244 K CB -0.076 32.424 32.500 0.000 0.000 0.713 244 K HN 0.132 nan 8.250 nan 0.000 0.442 245 L N -0.382 120.873 121.223 0.052 0.000 2.554 245 L HA 0.107 4.447 4.340 -0.000 0.000 0.226 245 L C 0.970 177.863 176.870 0.039 0.000 1.137 245 L CA 0.313 55.184 54.840 0.052 0.000 0.863 245 L CB -0.263 41.829 42.059 0.055 0.000 0.985 245 L HN 0.417 nan 8.230 nan 0.000 0.451 246 G N 1.307 110.125 108.800 0.031 0.000 2.246 246 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.273 246 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.273 246 G C -0.137 174.778 174.900 0.025 0.000 1.055 246 G CA 0.074 45.192 45.100 0.030 0.000 0.851 246 G HN 0.250 nan 8.290 nan 0.000 0.500 247 L N -0.862 120.356 121.223 -0.009 0.000 2.323 247 L HA 0.567 4.907 4.340 -0.000 0.000 0.265 247 L C -2.092 174.723 176.870 -0.092 0.000 1.012 247 L CA -2.670 52.115 54.840 -0.091 0.000 0.820 247 L CB 2.014 43.986 42.059 -0.146 0.000 1.334 247 L HN -0.149 nan 8.230 nan 0.000 0.427 248 P HA -0.005 nan 4.420 nan 0.000 0.268 248 P C 0.351 177.616 177.300 -0.059 0.000 1.205 248 P CA -0.121 62.928 63.100 -0.086 0.000 0.771 248 P CB 0.679 32.319 31.700 -0.101 0.000 0.858 249 E N 4.278 124.473 120.200 -0.009 0.000 2.097 249 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 249 E C 1.590 178.208 176.600 0.029 0.000 1.000 249 E CA 1.669 58.082 56.400 0.022 0.000 0.804 249 E CB -0.002 29.717 29.700 0.032 0.000 0.740 249 E HN 0.454 nan 8.360 nan 0.000 0.454 250 R N -0.194 120.313 120.500 0.012 0.000 2.193 250 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 250 R C 2.315 178.638 176.300 0.038 0.000 1.110 250 R CA 1.281 57.397 56.100 0.027 0.000 0.988 250 R CB -0.524 29.783 30.300 0.011 0.000 0.871 250 R HN 0.003 nan 8.270 nan 0.000 0.458 251 V N 0.984 120.885 119.914 -0.022 0.000 2.346 251 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 251 V C 2.374 178.495 176.094 0.045 0.000 1.037 251 V CA 1.310 63.590 62.300 -0.033 0.000 1.029 251 V CB -0.031 31.648 31.823 -0.240 0.000 0.663 251 V HN 0.161 nan 8.190 nan 0.000 0.454 252 V N -0.164 119.780 119.914 0.050 0.000 2.515 252 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 252 V C 2.369 178.603 176.094 0.234 0.000 1.058 252 V CA 2.210 64.601 62.300 0.151 0.000 1.064 252 V CB -0.550 31.357 31.823 0.141 0.000 0.675 252 V HN 0.612 nan 8.190 nan 0.000 0.461 253 Q N -0.416 119.489 119.800 0.175 0.000 2.046 253 Q HA -0.262 4.078 4.340 -0.000 0.000 0.200 253 Q C 2.324 178.463 176.000 0.231 0.000 0.975 253 Q CA 2.082 58.000 55.803 0.191 0.000 0.836 253 Q CB -0.150 28.669 28.738 0.135 0.000 0.896 253 Q HN 0.797 nan 8.270 nan 0.000 0.428 254 H N -0.637 118.504 119.070 0.118 0.000 2.353 254 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 254 H C 1.686 177.092 175.328 0.130 0.000 1.090 254 H CA 2.006 58.129 56.048 0.126 0.000 1.327 254 H CB -0.488 29.287 29.762 0.021 0.000 1.383 254 H HN 0.395 nan 8.280 nan 0.000 0.508 255 Y N 0.717 120.940 120.300 -0.128 0.000 2.081 255 Y HA -0.270 4.280 4.550 -0.000 0.000 0.280 255 Y C 2.196 178.088 175.900 -0.012 0.000 1.163 255 Y CA 2.150 60.139 58.100 -0.185 0.000 1.135 255 Y CB -0.587 37.833 38.460 -0.067 0.000 0.970 255 Y HN 0.250 nan 8.280 nan 0.000 0.498 256 L N -1.114 120.190 121.223 0.136 0.000 2.109 256 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 256 L C 2.557 179.515 176.870 0.147 0.000 1.086 256 L CA 1.276 56.241 54.840 0.209 0.000 0.760 256 L CB -0.918 41.304 42.059 0.272 0.000 0.910 256 L HN 0.541 nan 8.230 nan 0.000 0.437 257 W N 1.760 123.031 121.300 -0.049 0.000 2.374 257 W HA -0.237 4.423 4.660 -0.000 0.000 0.288 257 W C 1.988 178.383 176.519 -0.207 0.000 1.218 257 W CA 1.510 58.808 57.345 -0.078 0.000 1.245 257 W CB -0.311 29.108 29.460 -0.068 0.000 1.126 257 W HN 0.302 nan 8.180 nan 0.000 0.545 258 N N 0.117 118.539 118.700 -0.464 0.000 2.512 258 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 258 N C -0.360 174.739 175.510 -0.686 0.000 1.073 258 N CA 0.440 53.124 53.050 -0.609 0.000 0.911 258 N CB -0.383 37.758 38.487 -0.578 0.000 0.964 258 N HN -0.135 nan 8.380 nan 0.000 0.447 259 F N 1.358 120.964 119.950 -0.573 0.000 2.399 259 F HA 0.306 4.832 4.527 -0.000 0.000 0.342 259 F C 0.817 176.126 175.800 -0.818 0.000 1.106 259 F CA -0.299 57.261 58.000 -0.733 0.000 1.196 259 F CB 0.842 39.220 39.000 -1.036 0.000 1.163 259 F HN -0.299 nan 8.300 nan 0.000 0.547 260 R N 3.219 123.482 120.500 -0.395 0.000 2.265 260 R HA 0.233 4.573 4.340 -0.000 0.000 0.328 260 R C -0.725 175.433 176.300 -0.236 0.000 0.969 260 R CA -0.375 55.560 56.100 -0.275 0.000 0.832 260 R CB 0.672 30.883 30.300 -0.149 0.000 1.139 260 R HN 0.662 nan 8.270 nan 0.000 0.457 261 Y N -0.117 120.191 120.300 0.012 0.000 2.449 261 Y HA 0.117 4.667 4.550 -0.000 0.000 0.254 261 Y C 0.964 176.653 175.900 -0.351 0.000 1.140 261 Y CA 0.120 58.139 58.100 -0.134 0.000 1.272 261 Y CB 0.436 38.740 38.460 -0.261 0.000 1.114 261 Y HN 0.620 nan 8.280 nan 0.000 0.525 262 H N -0.588 118.422 119.070 -0.100 0.000 2.529 262 H HA 0.202 4.758 4.556 -0.000 0.000 0.277 262 H C 0.584 175.819 175.328 -0.156 0.000 1.004 262 H CA -0.258 55.669 56.048 -0.202 0.000 1.167 262 H CB 0.072 29.720 29.762 -0.190 0.000 1.445 262 H HN 0.026 nan 8.280 nan 0.000 0.554 263 L N 1.655 122.866 121.223 -0.019 0.000 3.879 263 L HA -0.284 4.056 4.340 -0.000 0.000 0.481 263 L C -0.184 176.626 176.870 -0.100 0.000 1.232 263 L CA 0.420 55.224 54.840 -0.059 0.000 0.736 263 L CB -0.939 41.077 42.059 -0.072 0.000 1.511 263 L HN 0.380 nan 8.230 nan 0.000 0.830 264 E N 0.015 120.175 120.200 -0.066 0.000 2.385 264 E HA 0.489 4.839 4.350 -0.000 0.000 0.254 264 E C 1.408 177.951 176.600 -0.094 0.000 1.228 264 E CA -0.032 56.320 56.400 -0.080 0.000 0.956 264 E CB 0.377 30.036 29.700 -0.068 0.000 1.116 264 E HN 0.433 nan 8.360 nan 0.000 0.507 265 A N 1.209 123.978 122.820 -0.085 0.000 1.892 265 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 265 A C -0.512 177.026 177.584 -0.076 0.000 1.188 265 A CA 1.736 53.726 52.037 -0.078 0.000 0.631 265 A CB -1.698 17.264 19.000 -0.063 0.000 0.822 265 A HN 0.439 nan 8.150 nan 0.000 0.447 266 P HA -0.128 nan 4.420 nan 0.000 0.216 266 P C 0.567 177.837 177.300 -0.051 0.000 1.150 266 P CA 1.448 64.505 63.100 -0.072 0.000 0.837 266 P CB -0.102 31.570 31.700 -0.046 0.000 0.786 267 D N -0.953 119.417 120.400 -0.050 0.000 2.149 267 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 267 D C 1.938 178.206 176.300 -0.054 0.000 0.972 267 D CA 0.873 54.844 54.000 -0.048 0.000 0.835 267 D CB -0.325 40.443 40.800 -0.053 0.000 0.966 267 D HN 0.266 nan 8.370 nan 0.000 0.476 268 R N 0.315 120.779 120.500 -0.061 0.000 2.115 268 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 268 R C 2.328 178.638 176.300 0.018 0.000 1.100 268 R CA 0.213 56.296 56.100 -0.028 0.000 0.980 268 R CB -0.481 29.771 30.300 -0.080 0.000 0.875 268 R HN 0.160 nan 8.270 nan 0.000 0.445 269 L N 1.072 122.285 121.223 -0.015 0.000 1.994 269 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 269 L C 2.219 179.137 176.870 0.080 0.000 1.071 269 L CA 2.194 57.027 54.840 -0.011 0.000 0.745 269 L CB -1.096 40.871 42.059 -0.153 0.000 0.892 269 L HN 0.164 nan 8.230 nan 0.000 0.431 270 G N -0.470 108.389 108.800 0.099 0.000 2.422 270 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 270 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 270 G C 1.583 176.524 174.900 0.068 0.000 1.146 270 G CA 0.987 46.240 45.100 0.254 0.000 0.769 270 G HN 0.417 nan 8.290 nan 0.000 0.547 271 L N 0.442 121.631 121.223 -0.055 0.000 2.017 271 L HA 0.081 4.420 4.340 -0.000 0.000 0.208 271 L C 2.850 179.747 176.870 0.045 0.000 1.073 271 L CA 1.733 56.519 54.840 -0.089 0.000 0.745 271 L CB -0.533 41.532 42.059 0.010 0.000 0.894 271 L HN 0.109 nan 8.230 nan 0.000 0.432 272 R N -0.651 119.907 120.500 0.098 0.000 2.096 272 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 272 R C 2.243 178.633 176.300 0.150 0.000 1.127 272 R CA 1.537 57.703 56.100 0.109 0.000 0.968 272 R CB -0.259 30.124 30.300 0.138 0.000 0.861 272 R HN 0.502 nan 8.270 nan 0.000 0.440 273 E N -0.097 120.246 120.200 0.239 0.000 2.038 273 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 273 E C 1.621 178.470 176.600 0.416 0.000 1.000 273 E CA 1.483 58.090 56.400 0.345 0.000 0.803 273 E CB -0.143 29.855 29.700 0.495 0.000 0.750 273 E HN 0.179 nan 8.360 nan 0.000 0.448 274 F N 1.015 121.113 119.950 0.247 0.000 2.075 274 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 274 F C 2.046 177.846 175.800 -0.000 0.000 1.113 274 F CA 1.582 59.617 58.000 0.058 0.000 1.218 274 F CB -0.756 37.998 39.000 -0.409 0.000 0.984 274 F HN 0.034 nan 8.300 nan 0.000 0.472 275 A N 0.195 122.899 122.820 -0.194 0.000 1.927 275 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 275 A C 1.984 179.408 177.584 -0.266 0.000 1.185 275 A CA 2.279 54.042 52.037 -0.456 0.000 0.639 275 A CB -1.159 17.437 19.000 -0.673 0.000 0.820 275 A HN 0.498 nan 8.150 nan 0.000 0.451 276 D N -0.285 120.116 120.400 0.002 0.000 2.117 276 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 276 D C 1.965 178.279 176.300 0.023 0.000 0.982 276 D CA 0.957 55.029 54.000 0.121 0.000 0.828 276 D CB -0.314 40.569 40.800 0.138 0.000 0.967 276 D HN 0.466 nan 8.370 nan 0.000 0.464 277 L N 0.369 121.586 121.223 -0.011 0.000 2.023 277 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 277 L C 2.366 179.164 176.870 -0.120 0.000 1.073 277 L CA 1.199 56.032 54.840 -0.011 0.000 0.745 277 L CB -0.269 41.857 42.059 0.111 0.000 0.900 277 L HN -0.020 nan 8.230 nan 0.000 0.435 278 A N -1.197 121.406 122.820 -0.361 0.000 2.072 278 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 278 A C 1.103 178.534 177.584 -0.256 0.000 1.156 278 A CA 0.683 52.475 52.037 -0.407 0.000 0.701 278 A CB 0.149 18.583 19.000 -0.944 0.000 0.816 278 A HN 0.222 nan 8.150 nan 0.000 0.458 279 V N 1.731 121.518 119.914 -0.211 0.000 2.502 279 V HA 0.185 4.305 4.120 -0.000 0.000 0.261 279 V C -2.777 173.344 176.094 0.044 0.000 0.996 279 V CA -1.514 60.734 62.300 -0.086 0.000 1.095 279 V CB 0.706 32.461 31.823 -0.113 0.000 1.325 279 V HN 0.258 nan 8.190 nan 0.000 0.574 280 P HA 0.059 nan 4.420 nan 0.000 0.261 280 P C 1.079 178.363 177.300 -0.026 0.000 1.173 280 P CA 1.874 64.982 63.100 0.013 0.000 0.760 280 P CB 0.763 32.456 31.700 -0.012 0.000 0.783 281 G N 1.804 110.544 108.800 -0.101 0.000 2.143 281 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.249 281 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.249 281 G C 0.482 175.262 174.900 -0.200 0.000 0.981 281 G CA 0.294 45.299 45.100 -0.159 0.000 0.665 281 G HN 1.009 nan 8.290 nan 0.000 0.528 282 H N -0.052 118.961 119.070 -0.094 0.000 2.913 282 H HA 0.577 5.133 4.556 -0.000 0.000 0.365 282 H C 0.799 176.057 175.328 -0.117 0.000 1.155 282 H CA 0.087 56.062 56.048 -0.121 0.000 1.417 282 H CB 0.499 30.173 29.762 -0.146 0.000 1.386 282 H HN 0.805 nan 8.280 nan 0.000 0.614 283 A N 1.551 124.356 122.820 -0.024 0.000 2.366 283 A HA 0.043 4.363 4.320 -0.000 0.000 0.249 283 A C 0.582 178.164 177.584 -0.002 0.000 1.084 283 A CA -0.232 51.764 52.037 -0.069 0.000 0.794 283 A CB -0.121 18.829 19.000 -0.082 0.000 1.034 283 A HN 0.887 nan 8.150 nan 0.000 0.491 284 E N 1.603 121.773 120.200 -0.049 0.000 2.417 284 E HA 0.156 4.506 4.350 -0.000 0.000 0.261 284 E C -0.790 175.770 176.600 -0.067 0.000 1.000 284 E CA -0.143 56.247 56.400 -0.017 0.000 0.919 284 E CB 0.082 29.767 29.700 -0.026 0.000 0.955 284 E HN 0.500 nan 8.360 nan 0.000 0.455 285 L N 4.989 126.175 121.223 -0.062 0.000 2.410 285 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 285 L C 0.614 177.302 176.870 -0.304 0.000 1.144 285 L CA -0.251 54.448 54.840 -0.234 0.000 0.863 285 L CB 0.294 42.291 42.059 -0.104 0.000 1.140 285 L HN 0.627 nan 8.230 nan 0.000 0.463 286 T N -0.618 113.692 114.554 -0.406 0.000 2.887 286 T HA 0.757 5.107 4.350 -0.000 0.000 0.288 286 T C -0.554 173.765 174.700 -0.636 0.000 1.021 286 T CA -0.639 61.234 62.100 -0.379 0.000 1.000 286 T CB 1.779 70.580 68.868 -0.112 0.000 1.034 286 T HN 0.214 nan 8.240 nan 0.000 0.467 287 F N 0.000 120.035 119.950 0.141 0.000 2.286 287 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 287 F CA 0.000 58.076 58.000 0.126 0.000 1.383 287 F CB 0.000 39.067 39.000 0.112 0.000 1.145 287 F HN 0.000 nan 8.300 nan 0.000 0.574