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 2gve_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNYQPTPEDR FTFGLWTVGW QGRDPFGDAT RRALDPVESV RRLAELGAHG DATA SEQUENCE VTFHDDDLIP FGSSDSEREE HVKRFRQALD DTGMKVPMAT TNLFTHPVFK DATA SEQUENCE DGGFTANDRD VRRYALRKTI RNIDLAVELG AETYVAWGGR EGAESGGAKD DATA SEQUENCE VRDALDRMKE AFDLLGEYVT SQGYDIRFAI EPKPNEPRGD ILLPTVGHAL DATA SEQUENCE AFIERLERPE LYGVNPEVGH EQMAGLNFPH GIAQALWAGK LFHIDLNGQN DATA SEQUENCE GIKYDQDLRF GAGDLRAAFW LVDLLESAGY SGPRHFDFKP PRTEDFDGVW DATA SEQUENCE ASAAGCMRNY LILKERAAAF RADPEVQEAL RASRLDELAR PTAADGLQAL DATA SEQUENCE LDDRSAFEEF DVDAAAARGM AFERLDQLAM DHLLGARG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.337 4.480 -0.239 0.000 0.227 1 M C 0.000 176.077 176.300 -0.371 0.000 1.140 1 M CA 0.000 55.178 55.300 -0.204 0.000 0.988 1 M CB 0.000 32.541 32.600 -0.098 0.000 1.302 2 N N 0.190 118.669 118.700 -0.368 0.000 2.472 2 N HA 0.205 4.797 4.740 -0.248 0.000 0.289 2 N C -1.036 174.155 175.510 -0.531 0.000 1.156 2 N CA -0.843 52.013 53.050 -0.323 0.000 0.940 2 N CB 1.954 40.394 38.487 -0.079 0.000 1.200 2 N HN -0.132 8.084 8.380 -0.274 0.000 0.511 3 Y N -0.320 120.017 120.300 0.061 0.000 2.805 3 Y HA 0.031 4.637 4.550 0.093 0.000 0.339 3 Y C -1.104 174.854 175.900 0.096 0.000 1.012 3 Y CA -1.051 57.101 58.100 0.087 0.000 1.262 3 Y CB 0.249 38.769 38.460 0.099 0.000 1.100 3 Y HN 0.245 8.660 8.280 0.224 0.000 0.559 4 Q N 4.278 124.172 119.800 0.157 0.000 2.337 4 Q HA 0.345 4.772 4.340 0.145 0.000 0.255 4 Q C -1.589 174.527 176.000 0.192 0.000 0.997 4 Q CA -3.024 52.866 55.803 0.145 0.000 0.925 4 Q CB 0.679 29.469 28.738 0.087 0.000 1.212 4 Q HN 0.316 8.644 8.270 0.096 0.000 0.436 5 P HA 0.253 5.075 4.420 0.400 -0.162 0.271 5 P C -0.650 176.801 177.300 0.251 0.000 1.216 5 P CA -0.592 62.708 63.100 0.333 0.000 0.776 5 P CB 0.818 32.747 31.700 0.382 0.000 0.881 6 T N -0.361 114.332 114.554 0.231 0.000 2.916 6 T HA 0.474 4.913 4.350 0.149 0.000 0.292 6 T C -1.132 173.656 174.700 0.147 0.000 1.055 6 T CA -3.560 58.633 62.100 0.154 0.000 1.009 6 T CB 1.320 70.247 68.868 0.098 0.000 1.118 6 T HN 0.612 9.418 8.240 0.245 -0.419 0.497 7 P HA -0.189 4.383 4.420 0.253 0.000 0.217 7 P C 0.707 178.080 177.300 0.121 0.000 1.148 7 P CA 2.060 65.277 63.100 0.196 0.000 0.828 7 P CB 0.268 32.072 31.700 0.172 0.000 0.783 8 E N -1.392 118.825 120.200 0.029 0.000 2.265 8 E HA -0.203 4.101 4.350 -0.077 0.000 0.196 8 E C 1.656 178.137 176.600 -0.198 0.000 0.996 8 E CA 1.623 57.982 56.400 -0.069 0.000 0.832 8 E CB -1.256 28.423 29.700 -0.036 0.000 0.756 8 E HN 0.192 8.553 8.360 0.048 0.027 0.491 9 D N -0.036 120.230 120.400 -0.224 0.000 2.264 9 D HA -0.059 4.326 4.640 -0.425 0.000 0.208 9 D C 0.408 176.230 176.300 -0.797 0.000 0.966 9 D CA 0.261 53.950 54.000 -0.518 0.000 0.864 9 D CB -0.003 40.425 40.800 -0.619 0.000 0.933 9 D HN -0.189 nan 8.370 nan 0.000 0.499 10 R N -2.197 117.950 120.500 -0.588 0.000 3.532 10 R HA -0.277 3.572 4.340 -0.817 0.000 0.284 10 R C -1.792 174.239 176.300 -0.448 0.000 1.140 10 R CA -0.194 55.521 56.100 -0.641 0.000 0.768 10 R CB -2.639 27.271 30.300 -0.650 0.000 1.252 10 R HN 0.138 nan 8.270 nan 0.000 0.454 11 F N -0.658 119.240 119.950 -0.087 0.000 2.421 11 F HA 0.326 4.785 4.527 -0.368 -0.153 0.358 11 F C -0.137 175.668 175.800 0.007 0.000 1.115 11 F CA -1.541 56.389 58.000 -0.116 0.000 1.160 11 F CB 0.096 39.168 39.000 0.121 0.000 1.123 11 F HN -0.158 8.085 8.300 -0.096 0.000 0.508 12 T N -0.177 114.377 114.554 0.000 0.000 2.932 12 T HA 0.904 5.635 4.350 0.331 -0.183 0.289 12 T C -1.187 173.425 174.700 -0.146 0.000 1.039 12 T CA -2.457 59.727 62.100 0.140 0.000 1.024 12 T CB 3.245 72.259 68.868 0.244 0.000 1.090 12 T HN -0.022 8.090 8.240 -0.214 0.000 0.496 13 F N -0.809 119.288 119.950 0.246 0.000 2.588 13 F HA 0.295 4.822 4.527 0.000 0.000 0.310 13 F C 1.336 177.157 175.800 0.036 0.000 1.082 13 F CA -0.929 57.140 58.000 0.115 0.000 0.929 13 F CB 3.274 42.381 39.000 0.178 0.000 1.254 13 F HN -0.103 8.495 8.300 0.496 0.000 0.455 14 G N 2.001 110.702 108.800 -0.165 0.000 2.395 14 G HA2 0.468 3.188 3.960 -2.067 0.000 0.283 14 G HA3 0.468 4.260 3.960 -0.280 0.000 0.283 14 G C -0.129 174.508 174.900 -0.437 0.000 1.178 14 G CA -1.073 43.572 45.100 -0.759 0.000 0.837 14 G HN 0.522 nan 8.290 nan 0.000 0.518 15 L N 1.432 122.683 121.223 0.045 0.000 2.129 15 L HA -0.252 4.213 4.340 0.208 0.000 0.212 15 L C 0.849 177.870 176.870 0.252 0.000 1.087 15 L CA 2.204 57.188 54.840 0.240 0.000 0.757 15 L CB 0.097 42.378 42.059 0.370 0.000 0.896 15 L HN 0.152 8.512 8.230 0.217 0.000 0.434 16 W N -3.165 118.317 121.300 0.303 0.000 2.678 16 W HA -0.214 4.592 4.660 0.244 0.000 0.256 16 W C 1.406 178.025 176.519 0.166 0.000 1.280 16 W CA 0.784 58.280 57.345 0.252 0.000 1.345 16 W CB -1.800 27.829 29.460 0.281 0.000 1.118 16 W HN -0.081 8.373 8.180 0.505 0.029 0.629 17 T N 1.550 115.816 114.554 -0.479 0.000 2.559 17 T HA -0.146 3.932 4.350 -0.453 0.000 0.251 17 T C 2.198 176.718 174.700 -0.301 0.000 1.122 17 T CA 0.946 62.780 62.100 -0.442 0.000 1.231 17 T CB 0.351 69.033 68.868 -0.310 0.000 0.881 17 T HN -0.464 nan 8.240 nan 0.000 0.397 18 V N -2.597 117.236 119.914 -0.135 0.000 3.078 18 V HA -0.101 3.903 4.120 -0.192 0.000 0.265 18 V C 0.397 176.482 176.094 -0.015 0.000 1.122 18 V CA 1.086 63.329 62.300 -0.096 0.000 1.141 18 V CB -0.280 31.542 31.823 -0.002 0.000 0.735 18 V HN 0.152 8.322 8.190 -0.033 0.000 0.498 19 G N -1.814 107.038 108.800 0.087 0.000 2.985 19 G HA2 -0.042 4.207 3.960 0.203 0.000 0.209 19 G HA3 -0.042 4.011 3.960 0.155 0.000 0.209 19 G C -0.693 174.333 174.900 0.210 0.000 1.165 19 G CA -0.866 44.334 45.100 0.167 0.000 0.776 19 G HN -0.797 7.472 8.290 0.075 0.066 0.541 20 W N 1.736 123.028 121.300 -0.013 0.000 2.347 20 W HA -0.131 4.561 4.660 0.054 0.000 0.333 20 W C -0.481 176.014 176.519 -0.040 0.000 1.383 20 W CA -0.702 56.639 57.345 -0.007 0.000 1.283 20 W CB 0.574 29.998 29.460 -0.059 0.000 1.253 20 W HN -0.760 7.528 8.180 0.269 0.053 0.563 21 Q N 7.008 126.569 119.800 -0.398 0.000 2.378 21 Q HA -0.176 3.953 4.340 -0.351 0.000 0.205 21 Q C 0.391 175.873 176.000 -0.865 0.000 0.954 21 Q CA 1.829 57.344 55.803 -0.480 0.000 0.901 21 Q CB 0.310 28.885 28.738 -0.273 0.000 0.981 21 Q HN 0.315 8.418 8.270 -0.278 0.000 0.483 22 G N -3.914 103.783 108.800 -1.837 0.000 2.140 22 G HA2 -0.379 2.788 3.960 -1.322 0.000 0.211 22 G HA3 -0.379 1.270 3.960 -3.852 0.000 0.211 22 G C -1.850 172.456 174.900 -0.990 0.000 1.013 22 G CA -0.015 43.851 45.100 -2.057 0.000 0.705 22 G HN 0.076 6.759 8.290 -2.611 0.041 0.508 23 R N 0.578 120.703 120.500 -0.625 0.000 2.242 23 R HA 0.126 4.363 4.340 -0.170 0.000 0.334 23 R C 0.474 176.841 176.300 0.112 0.000 1.071 23 R CA -0.650 55.358 56.100 -0.153 0.000 0.922 23 R CB 0.276 30.530 30.300 -0.076 0.000 1.023 23 R HN -0.346 7.473 8.270 -0.752 0.000 0.458 24 D N 7.199 127.653 120.400 0.090 0.000 2.340 24 D HA 0.345 5.113 4.640 0.213 0.000 0.243 24 D C -0.708 175.586 176.300 -0.010 0.000 0.988 24 D CA -2.708 51.377 54.000 0.140 0.000 0.959 24 D CB 0.533 41.447 40.800 0.189 0.000 1.226 24 D HN 0.147 nan 8.370 nan 0.000 0.509 25 P HA -0.113 4.112 4.420 -0.325 0.000 0.223 25 P C 0.426 177.313 177.300 -0.687 0.000 1.144 25 P CA 1.261 64.099 63.100 -0.437 0.000 0.783 25 P CB 0.023 31.346 31.700 -0.629 0.000 0.771 26 F N -2.572 117.361 119.950 -0.027 0.000 2.775 26 F HA 0.371 4.880 4.527 -0.030 0.000 0.313 26 F C -0.688 175.093 175.800 -0.032 0.000 1.121 26 F CA -0.365 57.615 58.000 -0.033 0.000 1.206 26 F CB 1.321 40.293 39.000 -0.046 0.000 1.052 26 F HN -0.151 nan 8.300 nan 0.000 0.524 27 G N 0.075 108.922 108.800 0.077 0.000 2.677 27 G HA2 -0.012 3.968 3.960 0.032 0.000 0.291 27 G HA3 -0.012 3.967 3.960 0.031 0.000 0.291 27 G C -1.440 173.444 174.900 -0.026 0.000 1.435 27 G CA 0.047 45.164 45.100 0.029 0.000 0.826 27 G HN -0.543 7.682 8.290 0.031 0.084 0.491 28 D N 0.983 121.353 120.400 -0.051 0.000 2.466 28 D HA 0.168 4.761 4.640 -0.077 0.000 0.262 28 D C -0.202 176.014 176.300 -0.140 0.000 1.177 28 D CA -1.001 52.950 54.000 -0.082 0.000 1.035 28 D CB 1.646 42.406 40.800 -0.067 0.000 1.105 28 D HN -0.064 nan 8.370 nan 0.000 0.551 29 A N -1.602 121.121 122.820 -0.163 0.000 2.492 29 A HA -0.093 4.108 4.320 -0.331 -0.080 0.254 29 A C 0.252 177.702 177.584 -0.224 0.000 1.091 29 A CA 0.829 52.722 52.037 -0.241 0.000 0.768 29 A CB 0.403 19.279 19.000 -0.206 0.000 1.028 29 A HN 0.252 8.323 8.150 -0.132 0.000 0.498 30 T N 0.429 114.810 114.554 -0.289 0.000 3.040 30 T HA -0.012 4.223 4.350 -0.191 0.000 0.250 30 T C 0.927 175.457 174.700 -0.284 0.000 1.058 30 T CA 0.418 62.372 62.100 -0.244 0.000 0.988 30 T CB 0.402 69.132 68.868 -0.229 0.000 0.993 30 T HN 0.272 8.288 8.240 -0.374 0.000 0.519 31 R N 1.317 121.613 120.500 -0.340 0.000 2.744 31 R HA 0.240 4.318 4.340 -0.436 0.000 0.279 31 R C -0.862 175.264 176.300 -0.290 0.000 0.977 31 R CA -0.909 54.941 56.100 -0.416 0.000 0.906 31 R CB 1.269 31.230 30.300 -0.565 0.000 1.197 31 R HN -0.441 nan 8.270 nan 0.000 0.463 32 R N 0.998 121.355 120.500 -0.239 0.000 2.582 32 R HA 0.181 4.495 4.340 -0.043 0.000 0.271 32 R C -0.440 175.906 176.300 0.077 0.000 1.078 32 R CA -0.525 55.556 56.100 -0.031 0.000 1.127 32 R CB 0.129 30.478 30.300 0.082 0.000 1.038 32 R HN 0.076 nan 8.270 nan 0.000 0.500 33 A N 1.807 124.681 122.820 0.089 0.000 2.498 33 A HA -0.125 4.259 4.320 0.108 0.000 0.239 33 A C 0.440 178.149 177.584 0.208 0.000 1.068 33 A CA -0.069 52.044 52.037 0.125 0.000 0.766 33 A CB 0.305 19.363 19.000 0.097 0.000 1.003 33 A HN 0.117 8.304 8.150 0.063 0.000 0.497 34 L N 3.931 125.282 121.223 0.213 0.000 2.295 34 L HA 0.183 4.639 4.340 0.192 0.000 0.285 34 L C -0.145 176.821 176.870 0.159 0.000 1.035 34 L CA -0.994 53.968 54.840 0.204 0.000 0.806 34 L CB 0.879 43.075 42.059 0.228 0.000 1.214 34 L HN -0.129 nan 8.230 nan 0.000 0.426 35 D N 6.027 126.506 120.400 0.132 0.000 2.383 35 D HA 0.168 4.887 4.640 0.131 0.000 0.252 35 D C -0.592 175.797 176.300 0.149 0.000 1.166 35 D CA -2.215 51.862 54.000 0.128 0.000 0.879 35 D CB 1.319 42.181 40.800 0.103 0.000 1.164 35 D HN -0.013 nan 8.370 nan 0.000 0.462 36 P HA -0.266 4.274 4.420 0.199 0.000 0.218 36 P C 0.523 177.970 177.300 0.245 0.000 1.152 36 P CA 1.724 64.942 63.100 0.197 0.000 0.857 36 P CB 0.280 32.062 31.700 0.137 0.000 0.787 37 V N -3.694 116.340 119.914 0.199 0.000 2.295 37 V HA -0.475 3.737 4.120 0.154 0.000 0.246 37 V C 1.754 177.901 176.094 0.087 0.000 1.049 37 V CA 4.351 66.735 62.300 0.139 0.000 1.024 37 V CB -0.728 31.152 31.823 0.095 0.000 0.648 37 V HN -0.301 8.279 8.190 0.180 -0.282 0.447 38 E N -0.122 120.128 120.200 0.083 0.000 2.085 38 E HA -0.426 3.925 4.350 0.002 0.000 0.194 38 E C 2.379 179.022 176.600 0.072 0.000 0.994 38 E CA 3.638 60.065 56.400 0.046 0.000 0.801 38 E CB -0.292 29.433 29.700 0.042 0.000 0.743 38 E HN -0.261 8.156 8.360 0.095 0.000 0.453 39 S N 0.668 116.471 115.700 0.172 0.000 2.368 39 S HA -0.210 4.469 4.470 0.348 0.000 0.225 39 S C 2.406 177.092 174.600 0.144 0.000 1.030 39 S CA 3.866 62.211 58.200 0.243 0.000 0.999 39 S CB -0.599 62.767 63.200 0.277 0.000 0.844 39 S HN -0.610 7.808 8.310 0.181 0.000 0.459 40 V N 1.104 121.098 119.914 0.133 0.000 2.343 40 V HA -0.480 3.703 4.120 0.106 0.000 0.247 40 V C 1.839 177.926 176.094 -0.011 0.000 1.051 40 V CA 3.923 66.267 62.300 0.074 0.000 1.036 40 V CB -0.982 30.855 31.823 0.024 0.000 0.654 40 V HN -0.255 8.032 8.190 0.161 0.000 0.451 41 R N -1.757 118.715 120.500 -0.046 0.000 2.062 41 R HA -0.308 3.979 4.340 -0.087 0.000 0.229 41 R C 1.886 178.081 176.300 -0.175 0.000 1.128 41 R CA 3.229 59.270 56.100 -0.099 0.000 0.960 41 R CB -0.145 30.096 30.300 -0.098 0.000 0.855 41 R HN -0.618 7.637 8.270 -0.024 0.000 0.432 42 R N -3.300 117.029 120.500 -0.284 0.000 2.091 42 R HA -0.225 3.776 4.340 -0.565 0.000 0.238 42 R C 1.845 177.902 176.300 -0.405 0.000 1.136 42 R CA 1.969 57.724 56.100 -0.576 0.000 0.959 42 R CB -0.091 29.416 30.300 -1.322 0.000 0.856 42 R HN -0.265 7.863 8.270 -0.236 0.000 0.437 43 L N -3.084 118.016 121.223 -0.204 0.000 2.083 43 L HA -0.144 4.109 4.340 -0.146 0.000 0.209 43 L C 1.313 178.158 176.870 -0.041 0.000 1.083 43 L CA 2.309 57.092 54.840 -0.095 0.000 0.752 43 L CB 0.040 42.113 42.059 0.023 0.000 0.899 43 L HN -0.260 7.886 8.230 -0.140 0.000 0.433 44 A N -0.057 122.736 122.820 -0.044 0.000 1.902 44 A HA -0.273 4.058 4.320 0.018 0.000 0.217 44 A C 3.046 180.607 177.584 -0.038 0.000 1.181 44 A CA 2.759 54.783 52.037 -0.022 0.000 0.623 44 A CB -1.165 17.810 19.000 -0.042 0.000 0.818 44 A HN -0.207 7.906 8.150 -0.062 0.000 0.443 45 E N 0.005 120.148 120.200 -0.095 0.000 2.265 45 E HA -0.149 4.159 4.350 -0.070 0.000 0.196 45 E C 1.720 178.275 176.600 -0.075 0.000 0.996 45 E CA 0.833 57.174 56.400 -0.098 0.000 0.832 45 E CB -0.398 29.207 29.700 -0.159 0.000 0.756 45 E HN 0.600 nan 8.360 nan 0.000 0.491 46 L N -1.445 119.731 121.223 -0.077 0.000 2.418 46 L HA 0.007 4.323 4.340 -0.040 0.000 0.218 46 L C 0.093 176.992 176.870 0.048 0.000 1.125 46 L CA -0.380 54.439 54.840 -0.035 0.000 0.835 46 L CB 0.594 42.610 42.059 -0.071 0.000 0.953 46 L HN -0.372 nan 8.230 nan 0.000 0.454 47 G N -3.325 105.521 108.800 0.077 0.000 2.154 47 G HA2 -0.259 3.798 3.960 0.162 0.000 0.186 47 G HA3 -0.259 3.772 3.960 0.118 0.000 0.186 47 G C -0.996 174.051 174.900 0.244 0.000 1.000 47 G CA -0.432 44.756 45.100 0.147 0.000 0.664 47 G HN -0.611 7.551 8.290 0.049 0.157 0.513 48 A N -0.304 122.667 122.820 0.252 0.000 2.406 48 A HA -0.073 4.631 4.320 0.530 -0.066 0.243 48 A C -1.101 176.665 177.584 0.303 0.000 1.082 48 A CA 0.147 52.418 52.037 0.391 0.000 0.786 48 A CB 0.925 20.178 19.000 0.422 0.000 1.029 48 A HN -0.624 7.633 8.150 0.178 0.000 0.495 49 H N 0.184 119.387 119.070 0.223 0.000 2.553 49 H HA 0.133 4.744 4.556 0.091 0.000 0.276 49 H C -0.527 174.870 175.328 0.116 0.000 0.979 49 H CA 1.535 57.653 56.048 0.117 0.000 1.268 49 H CB 2.545 32.335 29.762 0.047 0.000 1.450 49 H HN 0.755 9.201 8.280 0.460 0.109 0.527 50 G N -5.402 103.495 108.800 0.163 0.000 2.430 50 G HA2 0.315 4.449 3.960 0.071 0.000 0.300 50 G HA3 0.315 4.289 3.960 0.045 0.013 0.300 50 G C -3.126 171.935 174.900 0.268 0.000 1.330 50 G CA 0.368 45.538 45.100 0.116 0.000 0.813 50 G HN -0.886 7.586 8.290 0.303 0.000 0.487 51 V N -5.532 114.549 119.914 0.278 0.000 2.925 51 V HA 1.110 5.652 4.120 0.376 -0.196 0.311 51 V C -1.577 174.757 176.094 0.399 0.000 1.104 51 V CA -3.109 59.407 62.300 0.360 0.000 0.954 51 V CB 3.652 35.703 31.823 0.381 0.000 1.022 51 V HN 0.125 8.460 8.190 0.241 0.000 0.427 52 T N 0.356 115.144 114.554 0.389 0.000 2.949 52 T HA 0.769 5.472 4.350 0.400 -0.113 0.287 52 T C 0.265 175.310 174.700 0.576 0.000 1.034 52 T CA -1.146 61.185 62.100 0.385 0.000 1.018 52 T CB 1.440 70.416 68.868 0.180 0.000 1.135 52 T HN 0.042 8.500 8.240 0.362 0.000 0.532 53 F N -1.956 118.162 119.950 0.280 0.000 2.744 53 F HA 0.473 5.374 4.527 0.623 0.000 0.311 53 F C -3.021 172.830 175.800 0.086 0.000 1.144 53 F CA -0.616 57.578 58.000 0.325 0.000 0.938 53 F CB 1.113 40.196 39.000 0.139 0.000 1.292 53 F HN 0.092 nan 8.300 nan 0.000 0.444 54 H N 1.909 121.108 119.070 0.215 0.000 2.481 54 H HA 0.667 5.295 4.556 -0.180 -0.180 0.339 54 H C 1.422 176.847 175.328 0.163 0.000 1.131 54 H CA -0.780 55.264 56.048 -0.005 0.000 1.301 54 H CB 2.046 31.806 29.762 -0.002 0.000 1.476 54 H HN 0.207 9.201 8.280 0.652 -0.323 0.529 55 D N 1.573 122.085 120.400 0.185 0.000 2.172 55 D HA -0.363 4.489 4.640 0.353 0.000 0.196 55 D C 0.950 177.396 176.300 0.243 0.000 0.999 55 D CA 3.465 57.614 54.000 0.248 0.000 0.856 55 D CB -0.373 40.524 40.800 0.162 0.000 0.934 55 D HN -0.183 8.244 8.370 0.095 0.000 0.453 56 D N -1.869 118.658 120.400 0.212 0.000 2.340 56 D HA 0.021 4.930 4.640 0.164 -0.171 0.220 56 D C 1.730 178.130 176.300 0.165 0.000 1.039 56 D CA 1.194 55.297 54.000 0.171 0.000 0.866 56 D CB -0.459 40.421 40.800 0.134 0.000 0.913 56 D HN 0.328 8.797 8.370 0.206 0.024 0.523 57 D N -0.217 120.337 120.400 0.257 0.000 2.216 57 D HA -0.037 4.736 4.640 0.222 0.000 0.208 57 D C 0.631 176.997 176.300 0.110 0.000 0.960 57 D CA 1.323 55.480 54.000 0.261 0.000 0.861 57 D CB 0.183 41.264 40.800 0.468 0.000 0.985 57 D HN 0.088 nan 8.370 nan 0.000 0.493 58 L N -0.511 120.746 121.223 0.056 0.000 2.168 58 L HA -0.047 4.124 4.340 -0.281 0.000 0.203 58 L C -1.131 175.608 176.870 -0.218 0.000 1.078 58 L CA 0.923 55.632 54.840 -0.218 0.000 0.780 58 L CB 1.751 43.481 42.059 -0.548 0.000 0.939 58 L HN -0.604 7.751 8.230 0.209 0.000 0.451 59 I N -3.699 116.795 120.570 -0.127 0.000 2.382 59 I HA 0.335 4.189 4.170 -0.527 0.000 0.285 59 I C -2.816 173.225 176.117 -0.127 0.000 1.007 59 I CA -3.167 57.999 61.300 -0.224 0.000 1.142 59 I CB 1.092 39.065 38.000 -0.045 0.000 1.289 59 I HN -0.842 7.364 8.210 -0.007 0.000 0.453 60 P HA -0.095 4.346 4.420 0.035 0.000 0.264 60 P C -0.659 176.689 177.300 0.079 0.000 1.179 60 P CA -0.239 62.852 63.100 -0.015 0.000 0.763 60 P CB 0.406 32.094 31.700 -0.020 0.000 0.806 61 F N 4.227 124.197 119.950 0.034 0.000 2.607 61 F HA -0.532 4.036 4.527 0.068 0.000 0.374 61 F C 2.050 177.890 175.800 0.067 0.000 1.104 61 F CA 1.624 59.665 58.000 0.067 0.000 1.296 61 F CB 0.074 39.139 39.000 0.109 0.000 1.085 61 F HN 0.321 8.806 8.300 0.308 0.000 0.584 62 G N 6.642 115.138 108.800 -0.507 0.000 2.159 62 G HA2 -0.346 3.581 3.960 -0.055 0.000 0.256 62 G HA3 -0.346 3.379 3.960 -0.392 0.000 0.256 62 G C -0.981 173.864 174.900 -0.092 0.000 0.977 62 G CA -0.528 44.419 45.100 -0.254 0.000 0.652 62 G HN 0.424 nan 8.290 nan 0.000 0.531 63 S N 1.585 117.247 115.700 -0.064 0.000 2.537 63 S HA -0.039 4.461 4.470 0.051 0.000 0.286 63 S C 0.750 175.354 174.600 0.006 0.000 1.299 63 S CA -0.052 58.158 58.200 0.017 0.000 1.067 63 S CB 0.879 64.113 63.200 0.055 0.000 0.864 63 S HN -0.291 7.899 8.310 -0.094 0.063 0.494 64 S N 7.295 123.014 115.700 0.031 0.000 2.600 64 S HA 0.235 4.708 4.470 0.006 0.000 0.265 64 S C 1.865 176.484 174.600 0.032 0.000 1.325 64 S CA -0.710 57.503 58.200 0.022 0.000 1.002 64 S CB 0.470 63.685 63.200 0.025 0.000 0.921 64 S HN 0.016 nan 8.310 nan 0.000 0.554 65 D N 2.008 122.423 120.400 0.024 0.000 2.190 65 D HA -0.154 4.507 4.640 0.035 0.000 0.200 65 D C 0.999 177.321 176.300 0.037 0.000 0.992 65 D CA 1.409 55.427 54.000 0.031 0.000 0.854 65 D CB 0.093 40.908 40.800 0.025 0.000 0.936 65 D HN 0.275 nan 8.370 nan 0.000 0.462 66 S N -1.432 114.286 115.700 0.030 0.000 2.371 66 S HA -0.157 4.326 4.470 0.022 0.000 0.224 66 S C 0.294 174.908 174.600 0.024 0.000 1.029 66 S CA 1.900 60.114 58.200 0.023 0.000 0.978 66 S CB 0.279 63.488 63.200 0.016 0.000 0.833 66 S HN 0.024 8.319 8.310 0.027 0.031 0.466 67 E N 2.620 122.845 120.200 0.041 0.000 2.072 67 E HA -0.258 4.274 4.350 -0.021 -0.194 0.191 67 E C 2.107 178.788 176.600 0.135 0.000 0.985 67 E CA 2.895 59.328 56.400 0.055 0.000 0.801 67 E CB -0.058 29.715 29.700 0.121 0.000 0.750 67 E HN -0.738 7.572 8.360 0.046 0.077 0.452 68 R N -0.233 120.357 120.500 0.150 0.000 2.115 68 R HA -0.544 3.923 4.340 0.211 0.000 0.239 68 R C 2.590 178.968 176.300 0.130 0.000 1.133 68 R CA 3.702 59.896 56.100 0.156 0.000 0.935 68 R CB -0.116 30.239 30.300 0.092 0.000 0.853 68 R HN 0.182 8.519 8.270 0.113 0.000 0.433 69 E N 0.214 120.461 120.200 0.079 0.000 2.085 69 E HA -0.227 4.167 4.350 0.072 0.000 0.194 69 E C 1.714 178.342 176.600 0.047 0.000 0.994 69 E CA 1.731 58.168 56.400 0.061 0.000 0.801 69 E CB -0.562 29.163 29.700 0.042 0.000 0.743 69 E HN 0.450 nan 8.360 nan 0.000 0.453 70 E N -0.270 119.933 120.200 0.004 0.000 2.085 70 E HA -0.225 4.104 4.350 -0.036 0.000 0.194 70 E C 2.333 178.894 176.600 -0.064 0.000 0.994 70 E CA 0.955 57.319 56.400 -0.061 0.000 0.801 70 E CB 0.150 29.761 29.700 -0.149 0.000 0.743 70 E HN 0.188 nan 8.360 nan 0.000 0.453 71 H N -0.538 118.555 119.070 0.038 0.000 2.357 71 H HA -0.164 4.418 4.556 0.043 0.000 0.301 71 H C 2.569 177.928 175.328 0.051 0.000 1.082 71 H CA 2.946 59.016 56.048 0.036 0.000 1.342 71 H CB 0.476 30.247 29.762 0.016 0.000 1.389 71 H HN -0.364 7.929 8.280 0.022 0.000 0.511 72 V N -0.164 119.853 119.914 0.171 0.000 2.307 72 V HA -0.542 3.670 4.120 0.154 0.000 0.245 72 V C 2.244 178.428 176.094 0.150 0.000 1.045 72 V CA 3.738 66.127 62.300 0.149 0.000 1.024 72 V CB -0.311 31.584 31.823 0.120 0.000 0.651 72 V HN -0.143 8.147 8.190 0.166 0.000 0.449 73 K N 0.880 121.338 120.400 0.097 0.000 2.020 73 K HA -0.288 4.068 4.320 0.060 0.000 0.212 73 K C 1.312 177.951 176.600 0.066 0.000 1.050 73 K CA 1.870 58.196 56.287 0.064 0.000 0.929 73 K CB -0.251 32.270 32.500 0.035 0.000 0.714 73 K HN 0.189 nan 8.250 nan 0.000 0.443 74 R N -2.911 117.636 120.500 0.078 0.000 2.083 74 R HA -0.242 4.125 4.340 0.045 0.000 0.237 74 R C 1.356 177.726 176.300 0.115 0.000 1.137 74 R CA 2.304 58.451 56.100 0.079 0.000 0.951 74 R CB 0.150 30.500 30.300 0.084 0.000 0.851 74 R HN -0.599 7.715 8.270 0.073 0.000 0.434 75 F N -1.485 118.464 119.950 -0.001 0.000 2.095 75 F HA -0.246 4.270 4.527 -0.017 0.000 0.298 75 F C 1.167 176.952 175.800 -0.025 0.000 1.104 75 F CA 2.297 60.283 58.000 -0.024 0.000 1.232 75 F CB 0.267 39.223 39.000 -0.073 0.000 0.987 75 F HN -0.701 7.775 8.300 0.294 0.000 0.475 76 R N -0.279 120.219 120.500 -0.003 0.000 2.091 76 R HA -0.508 3.738 4.340 -0.157 0.000 0.238 76 R C 2.597 178.827 176.300 -0.117 0.000 1.136 76 R CA 3.099 59.148 56.100 -0.086 0.000 0.959 76 R CB -0.695 29.612 30.300 0.011 0.000 0.856 76 R HN 0.026 8.371 8.270 0.125 0.000 0.437 77 Q N 0.057 119.817 119.800 -0.067 0.000 2.124 77 Q HA -0.165 4.140 4.340 -0.058 0.000 0.202 77 Q C 2.650 178.591 176.000 -0.098 0.000 0.977 77 Q CA 1.468 57.233 55.803 -0.063 0.000 0.850 77 Q CB -0.937 27.783 28.738 -0.030 0.000 0.901 77 Q HN 0.492 nan 8.270 nan 0.000 0.429 78 A N -0.451 122.290 122.820 -0.132 0.000 1.877 78 A HA -0.175 4.083 4.320 -0.102 0.000 0.216 78 A C 2.057 179.519 177.584 -0.204 0.000 1.186 78 A CA 1.379 53.325 52.037 -0.151 0.000 0.620 78 A CB -0.339 18.572 19.000 -0.149 0.000 0.822 78 A HN -0.017 nan 8.150 nan 0.000 0.443 79 L N -2.847 118.184 121.223 -0.319 0.000 2.083 79 L HA -0.258 3.921 4.340 -0.268 0.000 0.209 79 L C 1.105 177.876 176.870 -0.165 0.000 1.083 79 L CA 1.827 56.496 54.840 -0.285 0.000 0.752 79 L CB 0.203 42.044 42.059 -0.363 0.000 0.899 79 L HN -0.558 7.427 8.230 -0.409 0.000 0.433 80 D N -2.690 117.628 120.400 -0.136 0.000 2.117 80 D HA -0.081 4.509 4.640 -0.082 0.000 0.198 80 D C 1.206 177.461 176.300 -0.075 0.000 0.982 80 D CA 2.111 56.058 54.000 -0.088 0.000 0.828 80 D CB 0.099 40.858 40.800 -0.068 0.000 0.967 80 D HN -0.635 7.635 8.370 -0.149 0.011 0.464 81 D N -1.681 118.672 120.400 -0.078 0.000 2.348 81 D HA 0.003 4.611 4.640 -0.053 0.000 0.216 81 D C 2.255 178.517 176.300 -0.064 0.000 0.970 81 D CA 1.617 55.579 54.000 -0.063 0.000 0.889 81 D CB 0.064 40.829 40.800 -0.059 0.000 0.912 81 D HN -0.231 8.085 8.370 -0.090 0.000 0.524 82 T N -5.764 108.744 114.554 -0.078 0.000 2.964 82 T HA 0.252 4.566 4.350 -0.060 0.000 0.250 82 T C 1.355 176.015 174.700 -0.068 0.000 0.982 82 T CA 0.154 62.212 62.100 -0.071 0.000 0.959 82 T CB 1.151 69.972 68.868 -0.079 0.000 1.141 82 T HN -0.070 nan 8.240 nan 0.000 0.494 83 G N 2.266 111.016 108.800 -0.082 0.000 2.157 83 G HA2 -0.197 3.723 3.960 -0.067 0.000 0.239 83 G HA3 -0.197 3.716 3.960 -0.079 0.000 0.239 83 G C -0.150 174.681 174.900 -0.115 0.000 0.982 83 G CA -0.393 44.658 45.100 -0.082 0.000 0.650 83 G HN -0.130 nan 8.290 nan 0.000 0.527 84 M N 1.869 121.395 119.600 -0.123 0.000 2.245 84 M HA 0.061 4.441 4.480 -0.168 0.000 0.330 84 M C -0.495 175.711 176.300 -0.156 0.000 1.098 84 M CA -0.492 54.724 55.300 -0.141 0.000 1.172 84 M CB 0.725 33.270 32.600 -0.093 0.000 1.467 84 M HN -0.381 nan 8.290 nan 0.000 0.454 85 K N -0.227 120.062 120.400 -0.184 0.000 2.295 85 K HA 0.296 4.570 4.320 -0.077 0.000 0.239 85 K C -1.847 174.772 176.600 0.032 0.000 0.991 85 K CA -2.405 53.819 56.287 -0.106 0.000 0.845 85 K CB 2.934 35.337 32.500 -0.162 0.000 1.197 85 K HN -0.087 8.016 8.250 -0.244 0.000 0.441 86 V N 2.327 122.301 119.914 0.100 0.000 2.235 86 V HA 0.677 5.142 4.120 0.247 -0.197 0.266 86 V C -1.536 174.654 176.094 0.160 0.000 1.055 86 V CA -3.827 58.598 62.300 0.210 0.000 0.844 86 V CB -0.808 31.213 31.823 0.330 0.000 1.097 86 V HN 0.689 8.924 8.190 0.074 0.000 0.453 87 P HA 0.007 4.483 4.420 0.094 0.000 0.222 87 P C -1.236 176.092 177.300 0.047 0.000 1.153 87 P CA 1.170 64.337 63.100 0.112 0.000 0.798 87 P CB 0.733 32.530 31.700 0.162 0.000 0.796 88 M N -3.463 116.140 119.600 0.006 0.000 2.484 88 M HA 0.823 5.417 4.480 -0.164 -0.213 0.289 88 M C -2.934 173.240 176.300 -0.209 0.000 1.206 88 M CA -1.632 53.566 55.300 -0.170 0.000 0.892 88 M CB 4.539 36.880 32.600 -0.432 0.000 1.712 88 M HN -0.714 7.615 8.290 0.065 0.000 0.462 89 A N 2.113 124.698 122.820 -0.391 0.000 2.498 89 A HA 0.834 4.859 4.320 -0.697 -0.123 0.298 89 A C -2.262 174.705 177.584 -1.029 0.000 1.075 89 A CA -1.190 50.442 52.037 -0.676 0.000 0.714 89 A CB 3.968 22.602 19.000 -0.610 0.000 1.299 89 A HN 0.154 8.074 8.150 -0.384 0.000 0.407 90 T N 0.319 114.299 114.554 -0.958 0.000 2.812 90 T HA 0.616 4.308 4.350 -1.260 -0.098 0.294 90 T C -1.016 173.444 174.700 -0.399 0.000 1.159 90 T CA -2.379 59.208 62.100 -0.855 0.000 1.008 90 T CB 1.643 70.135 68.868 -0.626 0.000 1.289 90 T HN 0.537 8.249 8.240 -0.879 0.000 0.514 91 T N 3.340 117.849 114.554 -0.075 0.000 2.855 91 T HA 0.199 4.713 4.350 0.077 -0.118 0.281 91 T C -1.680 173.077 174.700 0.094 0.000 1.007 91 T CA -0.447 61.699 62.100 0.077 0.000 1.009 91 T CB 1.321 70.263 68.868 0.124 0.000 0.983 91 T HN 0.354 8.565 8.240 -0.049 0.000 0.455 92 N N 4.826 123.513 118.700 -0.021 0.000 2.521 92 N HA 0.012 4.474 4.740 -0.463 0.000 0.236 92 N C -1.186 174.021 175.510 -0.506 0.000 1.067 92 N CA -0.560 52.248 53.050 -0.403 0.000 0.939 92 N CB -0.725 37.455 38.487 -0.512 0.000 1.201 92 N HN 0.338 9.051 8.380 0.013 -0.325 0.511 93 L N 4.841 125.716 121.223 -0.580 0.000 3.062 93 L HA 0.272 3.737 4.340 -1.457 0.000 0.255 93 L C 0.224 176.744 176.870 -0.584 0.000 1.274 93 L CA -0.262 53.979 54.840 -0.998 0.000 1.047 93 L CB -0.853 40.562 42.059 -1.074 0.000 1.402 93 L HN 0.026 8.043 8.230 -0.355 0.000 0.550 94 F N -6.010 113.840 119.950 -0.168 0.000 2.767 94 F HA 0.509 4.989 4.527 -0.080 0.000 0.329 94 F C -0.176 175.664 175.800 0.067 0.000 0.912 94 F CA -1.389 56.569 58.000 -0.069 0.000 1.115 94 F CB -0.116 38.784 39.000 -0.167 0.000 0.936 94 F HN -0.639 nan 8.300 nan 0.000 0.624 95 T N 1.519 115.971 114.554 -0.171 0.000 2.639 95 T HA -0.277 4.154 4.350 0.135 0.000 0.261 95 T C 0.839 175.530 174.700 -0.016 0.000 1.053 95 T CA 1.619 63.709 62.100 -0.018 0.000 1.158 95 T CB 0.324 69.099 68.868 -0.154 0.000 0.863 95 T HN -0.383 7.747 8.240 -0.749 -0.339 0.413 96 H N 4.462 123.454 119.070 -0.130 0.000 3.140 96 H HA 0.096 4.450 4.556 -0.337 0.000 0.316 96 H C -0.537 174.658 175.328 -0.223 0.000 0.986 96 H CA -1.525 54.348 56.048 -0.291 0.000 1.397 96 H CB 0.464 29.895 29.762 -0.552 0.000 1.377 96 H HN -0.147 nan 8.280 nan 0.000 0.585 97 P HA -0.236 4.105 4.420 -0.133 0.000 0.217 97 P C 2.061 179.317 177.300 -0.074 0.000 1.148 97 P CA 1.683 64.668 63.100 -0.191 0.000 0.828 97 P CB 0.322 31.857 31.700 -0.275 0.000 0.783 98 V N -1.504 118.422 119.914 0.020 0.000 2.546 98 V HA -0.222 3.801 4.120 -0.162 0.000 0.254 98 V C 0.277 176.200 176.094 -0.285 0.000 1.076 98 V CA 2.021 64.174 62.300 -0.245 0.000 1.087 98 V CB 0.059 31.531 31.823 -0.585 0.000 0.674 98 V HN -0.092 nan 8.190 nan 0.000 0.470 99 F N -3.201 116.779 119.950 0.049 0.000 2.713 99 F HA 0.297 4.963 4.527 -0.004 -0.141 0.294 99 F C 1.063 176.848 175.800 -0.025 0.000 1.152 99 F CA -2.550 55.449 58.000 -0.002 0.000 1.385 99 F CB -1.685 37.297 39.000 -0.029 0.000 0.981 99 F HN -0.373 7.686 8.300 -0.165 0.142 0.514 100 K N -0.338 120.114 120.400 0.087 0.000 2.283 100 K HA -0.234 4.111 4.320 0.042 0.000 0.202 100 K C 0.008 176.624 176.600 0.027 0.000 1.048 100 K CA 2.868 59.178 56.287 0.037 0.000 0.948 100 K CB -0.379 32.118 32.500 -0.004 0.000 0.742 100 K HN -0.463 7.729 8.250 0.041 0.083 0.458 101 D N -1.712 118.711 120.400 0.038 0.000 2.395 101 D HA 0.092 4.732 4.640 0.001 0.000 0.213 101 D C -0.810 175.499 176.300 0.016 0.000 1.110 101 D CA -1.218 52.793 54.000 0.017 0.000 0.835 101 D CB 1.213 42.022 40.800 0.015 0.000 0.965 101 D HN -0.276 8.100 8.370 0.058 0.029 0.505 102 G N -2.286 106.536 108.800 0.038 0.000 2.408 102 G HA2 -0.224 3.812 3.960 -0.043 0.000 0.682 102 G HA3 -0.224 3.678 3.960 -0.081 0.009 0.682 102 G C -1.307 173.614 174.900 0.035 0.000 1.303 102 G CA -0.864 44.223 45.100 -0.020 0.000 0.966 102 G HN -0.831 7.322 8.290 0.078 0.184 0.560 103 G N -1.624 107.078 108.800 -0.164 0.000 2.764 103 G HA2 0.429 4.002 3.960 -0.645 0.000 0.218 103 G HA3 0.429 4.374 3.960 -0.026 0.000 0.218 103 G C 0.587 175.452 174.900 -0.057 0.000 1.304 103 G CA 0.562 45.504 45.100 -0.264 0.000 0.847 103 G HN 0.094 8.742 8.290 -0.251 -0.509 0.610 104 F N -3.070 116.792 119.950 -0.147 0.000 2.512 104 F HA 0.162 4.616 4.527 -0.123 0.000 0.296 104 F C 0.392 176.137 175.800 -0.091 0.000 1.110 104 F CA -0.467 57.446 58.000 -0.144 0.000 1.446 104 F CB 0.591 39.441 39.000 -0.249 0.000 1.092 104 F HN -0.502 7.788 8.300 -0.419 -0.241 0.554 105 T N -6.811 107.792 114.554 0.081 0.000 3.228 105 T HA 0.075 4.456 4.350 0.052 0.000 0.278 105 T C -0.791 173.926 174.700 0.028 0.000 1.014 105 T CA -2.034 60.090 62.100 0.039 0.000 0.904 105 T CB 0.997 69.865 68.868 0.000 0.000 1.110 105 T HN -0.739 7.683 8.240 0.022 -0.169 0.541 106 A N 2.518 125.367 122.820 0.050 0.000 2.462 106 A HA -0.082 4.441 4.320 0.035 -0.182 0.243 106 A C 1.492 179.101 177.584 0.043 0.000 1.076 106 A CA -0.086 51.983 52.037 0.052 0.000 0.773 106 A CB 0.213 19.270 19.000 0.096 0.000 1.010 106 A HN -0.068 8.124 8.150 0.070 0.000 0.493 107 N N 3.657 122.374 118.700 0.028 0.000 2.166 107 N HA -0.179 4.574 4.740 0.020 0.000 0.186 107 N C -0.195 175.330 175.510 0.025 0.000 1.019 107 N CA 0.551 53.614 53.050 0.021 0.000 0.856 107 N CB -0.094 38.400 38.487 0.012 0.000 0.993 107 N HN 0.372 nan 8.380 nan 0.000 0.426 108 D N 0.067 120.484 120.400 0.029 0.000 2.339 108 D HA 0.048 4.700 4.640 0.020 0.000 0.256 108 D C -0.384 175.941 176.300 0.042 0.000 1.214 108 D CA 0.236 54.253 54.000 0.027 0.000 0.877 108 D CB 0.591 41.403 40.800 0.019 0.000 1.111 108 D HN -0.262 8.113 8.370 0.032 0.014 0.478 109 R N 5.455 125.976 120.500 0.035 0.000 2.091 109 R HA -0.500 3.868 4.340 0.046 0.000 0.238 109 R C 0.580 176.912 176.300 0.054 0.000 1.136 109 R CA 4.386 60.511 56.100 0.041 0.000 0.959 109 R CB 0.017 30.334 30.300 0.028 0.000 0.856 109 R HN 0.409 8.695 8.270 0.026 0.000 0.437 110 D N -1.159 119.268 120.400 0.044 0.000 2.178 110 D HA -0.220 4.454 4.640 0.056 0.000 0.201 110 D C 3.001 179.356 176.300 0.093 0.000 0.980 110 D CA 2.494 56.524 54.000 0.051 0.000 0.842 110 D CB -1.581 39.230 40.800 0.018 0.000 0.948 110 D HN 0.377 8.766 8.370 0.032 0.000 0.472 111 V N 1.416 121.386 119.914 0.095 0.000 2.379 111 V HA -0.292 3.928 4.120 0.166 0.000 0.245 111 V C 2.223 178.469 176.094 0.254 0.000 1.044 111 V CA 1.489 63.887 62.300 0.163 0.000 1.036 111 V CB -0.123 31.773 31.823 0.122 0.000 0.664 111 V HN -0.296 nan 8.190 nan 0.000 0.453 112 R N -0.287 120.321 120.500 0.179 0.000 2.091 112 R HA -0.218 4.485 4.340 0.219 -0.230 0.238 112 R C 2.488 178.888 176.300 0.166 0.000 1.136 112 R CA 2.847 59.054 56.100 0.178 0.000 0.959 112 R CB -0.056 30.312 30.300 0.113 0.000 0.856 112 R HN -0.518 7.834 8.270 0.136 0.000 0.437 113 R N -1.466 119.115 120.500 0.134 0.000 2.081 113 R HA -0.330 4.045 4.340 0.059 0.000 0.235 113 R C 2.337 178.722 176.300 0.142 0.000 1.131 113 R CA 3.378 59.539 56.100 0.102 0.000 0.960 113 R CB -0.205 30.144 30.300 0.082 0.000 0.856 113 R HN -0.470 7.875 8.270 0.126 0.000 0.436 114 Y N 0.353 120.703 120.300 0.084 0.000 2.224 114 Y HA -0.446 4.145 4.550 0.068 0.000 0.289 114 Y C 1.029 177.034 175.900 0.176 0.000 1.146 114 Y CA 2.956 61.117 58.100 0.102 0.000 1.182 114 Y CB -0.195 38.314 38.460 0.082 0.000 0.983 114 Y HN -0.615 7.855 8.280 0.318 0.000 0.524 115 A N -0.860 122.075 122.820 0.193 0.000 1.902 115 A HA -0.334 4.006 4.320 0.034 0.000 0.217 115 A C 2.020 179.674 177.584 0.116 0.000 1.181 115 A CA 3.084 55.195 52.037 0.123 0.000 0.623 115 A CB -1.020 18.093 19.000 0.188 0.000 0.818 115 A HN -0.118 8.128 8.150 0.320 0.096 0.443 116 L N -2.729 118.559 121.223 0.108 0.000 2.093 116 L HA -0.380 3.975 4.340 0.026 0.000 0.208 116 L C 2.430 179.245 176.870 -0.091 0.000 1.085 116 L CA 2.881 57.714 54.840 -0.011 0.000 0.755 116 L CB -0.377 41.618 42.059 -0.107 0.000 0.904 116 L HN -0.584 7.714 8.230 0.114 0.000 0.435 117 R N -1.919 118.515 120.500 -0.111 0.000 2.075 117 R HA -0.287 3.962 4.340 -0.152 0.000 0.232 117 R C 1.671 177.864 176.300 -0.178 0.000 1.126 117 R CA 2.113 58.127 56.100 -0.144 0.000 0.963 117 R CB -0.583 29.660 30.300 -0.096 0.000 0.858 117 R HN -0.485 7.734 8.270 -0.084 0.000 0.435 118 K N -2.112 118.128 120.400 -0.267 0.000 2.097 118 K HA -0.177 4.014 4.320 -0.214 0.000 0.206 118 K C 2.024 178.573 176.600 -0.085 0.000 1.049 118 K CA 2.721 58.867 56.287 -0.236 0.000 0.933 118 K CB 0.190 32.479 32.500 -0.352 0.000 0.717 118 K HN -0.373 7.672 8.250 -0.342 0.000 0.442 119 T N 2.097 116.625 114.554 -0.044 0.000 2.701 119 T HA -0.285 4.126 4.350 0.102 0.000 0.263 119 T C 1.728 176.397 174.700 -0.051 0.000 1.040 119 T CA 4.876 67.000 62.100 0.041 0.000 1.147 119 T CB 0.071 69.031 68.868 0.154 0.000 0.865 119 T HN -0.644 7.549 8.240 -0.053 0.015 0.426 120 I N 1.086 121.569 120.570 -0.144 0.000 2.194 120 I HA -0.445 3.569 4.170 -0.260 0.000 0.246 120 I C 1.654 177.685 176.117 -0.143 0.000 1.093 120 I CA 2.685 63.821 61.300 -0.273 0.000 1.355 120 I CB -0.330 37.340 38.000 -0.550 0.000 1.046 120 I HN -0.453 7.668 8.210 -0.149 0.000 0.413 121 R N 0.177 120.623 120.500 -0.090 0.000 2.083 121 R HA -0.229 4.112 4.340 0.002 0.000 0.237 121 R C 0.298 176.623 176.300 0.041 0.000 1.137 121 R CA 1.482 57.574 56.100 -0.013 0.000 0.951 121 R CB -0.056 30.233 30.300 -0.018 0.000 0.851 121 R HN 0.048 nan 8.270 nan 0.000 0.434 122 N N -2.729 116.004 118.700 0.055 0.000 2.188 122 N HA -0.122 4.706 4.740 0.148 0.000 0.184 122 N C 1.522 177.099 175.510 0.111 0.000 1.018 122 N CA 1.953 55.082 53.050 0.132 0.000 0.858 122 N CB 0.256 38.870 38.487 0.212 0.000 0.989 122 N HN -0.590 7.811 8.380 0.036 0.000 0.426 123 I N 0.867 121.392 120.570 -0.075 0.000 2.208 123 I HA -0.593 3.353 4.170 -0.374 0.000 0.245 123 I C 1.828 177.899 176.117 -0.076 0.000 1.097 123 I CA 3.432 64.590 61.300 -0.237 0.000 1.363 123 I CB -1.034 36.817 38.000 -0.250 0.000 1.051 123 I HN -0.060 8.084 8.210 -0.109 0.000 0.413 124 D N 0.842 121.268 120.400 0.044 0.000 2.097 124 D HA -0.164 4.429 4.640 -0.079 0.000 0.195 124 D C 2.495 178.795 176.300 -0.001 0.000 0.989 124 D CA 2.251 56.273 54.000 0.037 0.000 0.827 124 D CB -0.805 40.100 40.800 0.175 0.000 0.966 124 D HN 0.243 nan 8.370 nan 0.000 0.456 125 L N 2.368 123.640 121.223 0.081 0.000 2.093 125 L HA -0.069 4.342 4.340 0.119 0.000 0.208 125 L C 1.485 178.452 176.870 0.161 0.000 1.085 125 L CA 1.035 55.959 54.840 0.139 0.000 0.755 125 L CB -0.109 42.075 42.059 0.209 0.000 0.904 125 L HN -0.209 nan 8.230 nan 0.000 0.435 126 A N -0.255 122.653 122.820 0.145 0.000 1.908 126 A HA -0.384 4.067 4.320 0.219 0.000 0.218 126 A C 1.589 179.197 177.584 0.041 0.000 1.181 126 A CA 2.818 54.941 52.037 0.144 0.000 0.627 126 A CB -0.210 18.910 19.000 0.199 0.000 0.818 126 A HN 0.294 8.524 8.150 0.134 0.000 0.445 127 V N -2.636 117.213 119.914 -0.108 0.000 2.626 127 V HA -0.340 3.676 4.120 -0.172 0.000 0.252 127 V C 1.804 177.836 176.094 -0.103 0.000 1.067 127 V CA 3.695 65.864 62.300 -0.219 0.000 1.081 127 V CB -0.314 31.128 31.823 -0.636 0.000 0.686 127 V HN -0.338 7.760 8.190 -0.153 0.000 0.468 128 E N -0.515 119.664 120.200 -0.035 0.000 2.107 128 E HA -0.202 4.151 4.350 0.004 0.000 0.191 128 E C 1.921 178.558 176.600 0.061 0.000 0.982 128 E CA 2.640 59.053 56.400 0.022 0.000 0.809 128 E CB -0.017 29.716 29.700 0.054 0.000 0.756 128 E HN -0.856 7.353 8.360 -0.024 0.136 0.459 129 L N -4.567 116.724 121.223 0.113 0.000 2.478 129 L HA -0.162 4.255 4.340 0.129 0.000 0.223 129 L C 0.224 177.159 176.870 0.109 0.000 1.140 129 L CA 0.928 55.859 54.840 0.153 0.000 0.842 129 L CB 0.601 42.836 42.059 0.294 0.000 0.953 129 L HN -0.471 7.837 8.230 0.130 0.000 0.452 130 G N -4.505 104.336 108.800 0.069 0.000 2.141 130 G HA2 -0.323 3.662 3.960 0.041 0.000 0.195 130 G HA3 -0.323 3.646 3.960 0.015 0.000 0.195 130 G C -0.850 174.077 174.900 0.045 0.000 1.012 130 G CA -0.425 44.699 45.100 0.040 0.000 0.696 130 G HN -0.707 7.465 8.290 0.055 0.152 0.508 131 A N -1.036 121.816 122.820 0.054 0.000 2.401 131 A HA 0.064 4.643 4.320 0.057 -0.224 0.259 131 A C -0.468 177.113 177.584 -0.005 0.000 1.103 131 A CA -0.569 51.493 52.037 0.042 0.000 0.789 131 A CB 1.293 20.323 19.000 0.051 0.000 1.035 131 A HN -0.234 7.952 8.150 0.060 0.000 0.491 132 E N 1.551 121.745 120.200 -0.010 0.000 2.389 132 E HA 0.243 4.559 4.350 -0.056 0.000 0.199 132 E C 0.116 176.680 176.600 -0.060 0.000 0.978 132 E CA 1.061 57.436 56.400 -0.041 0.000 0.912 132 E CB 2.351 32.032 29.700 -0.031 0.000 0.907 132 E HN 0.114 8.375 8.360 0.006 0.102 0.494 133 T N 1.458 115.986 114.554 -0.043 0.000 2.881 133 T HA 0.502 4.981 4.350 -0.040 -0.153 0.290 133 T C -2.070 172.597 174.700 -0.054 0.000 1.000 133 T CA -0.483 61.591 62.100 -0.043 0.000 0.978 133 T CB 2.476 71.333 68.868 -0.019 0.000 0.997 133 T HN -0.553 7.663 8.240 -0.039 0.000 0.443 134 Y N 8.004 128.230 120.300 -0.124 0.000 2.356 134 Y HA 0.498 5.195 4.550 -0.092 -0.202 0.334 134 Y C -1.876 174.095 175.900 0.118 0.000 0.958 134 Y CA -1.599 56.468 58.100 -0.056 0.000 1.196 134 Y CB 2.353 40.751 38.460 -0.104 0.000 1.137 134 Y HN 0.823 9.138 8.280 0.057 0.000 0.485 135 V N 7.489 127.289 119.914 -0.188 0.000 2.686 135 V HA 0.587 5.038 4.120 0.170 -0.229 0.295 135 V C -1.223 174.955 176.094 0.141 0.000 1.057 135 V CA -1.259 61.049 62.300 0.014 0.000 1.012 135 V CB 1.896 33.645 31.823 -0.123 0.000 1.006 135 V HN -0.177 7.730 8.190 -0.471 0.000 0.477 136 A N 5.282 128.306 122.820 0.340 0.000 2.410 136 A HA 0.413 4.920 4.320 0.313 0.000 0.289 136 A C -2.185 175.629 177.584 0.383 0.000 1.200 136 A CA -0.904 51.373 52.037 0.402 0.000 0.751 136 A CB 2.427 21.820 19.000 0.655 0.000 1.161 136 A HN 0.839 9.203 8.150 0.357 0.000 0.459 137 W N 6.775 128.140 121.300 0.108 0.000 2.278 137 W HA 0.399 5.116 4.660 0.095 0.000 0.317 137 W C -1.149 175.373 176.519 0.006 0.000 1.030 137 W CA -1.801 55.585 57.345 0.068 0.000 1.334 137 W CB 1.092 30.575 29.460 0.039 0.000 1.215 137 W HN 0.327 8.728 8.180 0.368 0.000 0.405 138 G N 5.886 114.428 108.800 -0.430 0.000 3.101 138 G HA2 -0.081 3.649 3.960 -0.382 0.000 0.272 138 G HA3 -0.081 3.549 3.960 -0.550 0.000 0.272 138 G C 1.517 175.845 174.900 -0.954 0.000 0.801 138 G CA -0.339 44.418 45.100 -0.572 0.000 1.978 138 G HN 0.301 8.473 8.290 -0.197 0.000 0.591 139 G N 3.537 111.378 108.800 -1.598 0.000 2.471 139 G HA2 -0.100 2.418 3.960 -2.403 0.000 0.219 139 G HA3 -0.100 2.786 3.960 -1.791 0.000 0.219 139 G C 0.511 174.984 174.900 -0.711 0.000 1.125 139 G CA -0.233 43.817 45.100 -1.751 0.000 0.775 139 G HN 0.264 nan 8.290 nan 0.000 0.548 140 R N -4.286 115.928 120.500 -0.477 0.000 2.362 140 R HA 0.059 4.276 4.340 -0.204 0.000 0.227 140 R C -1.108 175.069 176.300 -0.205 0.000 0.905 140 R CA -0.939 55.015 56.100 -0.242 0.000 1.067 140 R CB 0.079 30.307 30.300 -0.120 0.000 1.078 140 R HN 0.089 8.022 8.270 -0.513 0.029 0.516 141 E N 0.976 121.018 120.200 -0.263 0.000 1.944 141 E HA 0.049 4.312 4.350 -0.146 0.000 0.272 141 E C 1.238 177.748 176.600 -0.151 0.000 1.195 141 E CA 0.010 56.298 56.400 -0.187 0.000 0.926 141 E CB -0.763 28.817 29.700 -0.200 0.000 1.051 141 E HN -0.626 7.362 8.360 -0.353 0.160 0.404 142 G N 4.480 113.216 108.800 -0.106 0.000 2.512 142 G HA2 0.413 4.317 3.960 -0.093 0.000 0.181 142 G HA3 0.413 4.325 3.960 -0.080 0.000 0.181 142 G C -2.483 172.382 174.900 -0.058 0.000 1.173 142 G CA 0.482 45.531 45.100 -0.085 0.000 0.988 142 G HN -0.076 nan 8.290 nan 0.000 0.485 143 A N -1.320 121.470 122.820 -0.050 0.000 2.583 143 A HA 0.289 4.590 4.320 -0.033 0.000 0.292 143 A C -2.488 175.079 177.584 -0.029 0.000 1.045 143 A CA 0.254 52.270 52.037 -0.034 0.000 0.672 143 A CB 2.557 21.541 19.000 -0.027 0.000 1.283 143 A HN -0.241 7.876 8.150 -0.054 0.000 0.419 144 E N -1.091 119.097 120.200 -0.021 0.000 2.452 144 E HA 0.086 4.427 4.350 -0.016 0.000 0.197 144 E C -0.449 176.144 176.600 -0.011 0.000 1.022 144 E CA 0.667 57.058 56.400 -0.016 0.000 0.890 144 E CB 0.610 30.302 29.700 -0.013 0.000 0.918 144 E HN 0.413 8.761 8.360 -0.020 0.000 0.496 145 S N -3.749 111.945 115.700 -0.011 0.000 2.704 145 S HA 0.277 4.743 4.470 -0.006 0.000 0.296 145 S C 0.368 174.964 174.600 -0.008 0.000 1.138 145 S CA -1.548 56.647 58.200 -0.008 0.000 0.875 145 S CB 2.916 66.113 63.200 -0.006 0.000 1.151 145 S HN -0.667 7.635 8.310 -0.013 0.000 0.500 146 G N -0.099 108.698 108.800 -0.005 0.000 2.396 146 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.214 146 G HA3 -0.080 3.877 3.960 -0.004 0.000 0.214 146 G C 0.898 175.796 174.900 -0.002 0.000 1.166 146 G CA 1.012 46.110 45.100 -0.003 0.000 0.793 146 G HN 0.328 8.616 8.290 -0.003 0.000 0.533 147 G N -0.726 108.072 108.800 -0.002 0.000 3.233 147 G HA2 0.022 3.982 3.960 -0.001 0.000 0.227 147 G HA3 0.022 3.982 3.960 -0.000 0.000 0.227 147 G C -0.568 174.331 174.900 -0.002 0.000 1.175 147 G CA -0.225 44.874 45.100 -0.001 0.000 0.781 147 G HN -0.009 8.280 8.290 -0.002 0.000 0.542 148 A N -0.552 122.265 122.820 -0.005 0.000 2.132 148 A HA 0.073 4.390 4.320 -0.005 0.000 0.213 148 A C -0.648 176.932 177.584 -0.006 0.000 1.154 148 A CA 0.486 52.519 52.037 -0.006 0.000 0.753 148 A CB 0.609 19.604 19.000 -0.009 0.000 0.826 148 A HN -0.331 7.742 8.150 -0.006 0.074 0.469 149 K N -0.693 119.703 120.400 -0.006 0.000 2.565 149 K HA 0.128 4.446 4.320 -0.004 0.000 0.251 149 K C -1.017 175.581 176.600 -0.003 0.000 0.956 149 K CA -0.423 55.860 56.287 -0.006 0.000 0.809 149 K CB 1.398 33.890 32.500 -0.014 0.000 1.267 149 K HN -0.467 7.780 8.250 -0.006 0.000 0.438 150 D N 7.243 127.644 120.400 0.001 0.000 2.441 150 D HA 0.177 4.820 4.640 0.005 0.000 0.221 150 D C 2.017 178.322 176.300 0.007 0.000 1.156 150 D CA -0.461 53.543 54.000 0.006 0.000 0.896 150 D CB 0.242 41.047 40.800 0.009 0.000 1.028 150 D HN 0.333 nan 8.370 nan 0.000 0.509 151 V N 7.325 127.242 119.914 0.006 0.000 2.370 151 V HA -0.387 3.732 4.120 -0.001 0.000 0.252 151 V C 2.915 179.021 176.094 0.020 0.000 1.068 151 V CA 2.008 64.312 62.300 0.007 0.000 1.061 151 V CB -0.150 31.678 31.823 0.009 0.000 0.656 151 V HN 0.358 nan 8.190 nan 0.000 0.455 152 R N 1.199 121.714 120.500 0.025 0.000 2.073 152 R HA -0.284 4.081 4.340 0.042 0.000 0.234 152 R C 2.061 178.382 176.300 0.035 0.000 1.134 152 R CA 1.297 57.417 56.100 0.033 0.000 0.952 152 R CB -0.298 30.019 30.300 0.028 0.000 0.850 152 R HN 0.406 nan 8.270 nan 0.000 0.433 153 D N 0.137 120.552 120.400 0.026 0.000 2.149 153 D HA -0.069 4.588 4.640 0.028 0.000 0.201 153 D C 1.657 177.975 176.300 0.029 0.000 0.972 153 D CA 1.049 55.064 54.000 0.026 0.000 0.835 153 D CB -0.077 40.734 40.800 0.019 0.000 0.966 153 D HN 0.054 nan 8.370 nan 0.000 0.476 154 A N 0.718 123.552 122.820 0.022 0.000 1.902 154 A HA -0.227 4.104 4.320 0.018 0.000 0.217 154 A C 2.017 179.619 177.584 0.029 0.000 1.181 154 A CA 2.573 54.620 52.037 0.016 0.000 0.623 154 A CB -0.095 18.902 19.000 -0.004 0.000 0.818 154 A HN 0.163 8.323 8.150 0.017 0.000 0.443 155 L N -2.621 118.627 121.223 0.042 0.000 2.079 155 L HA -0.496 3.874 4.340 0.050 0.000 0.210 155 L C 2.114 179.081 176.870 0.162 0.000 1.081 155 L CA 3.073 57.969 54.840 0.094 0.000 0.752 155 L CB -0.629 41.502 42.059 0.119 0.000 0.896 155 L HN 0.201 8.453 8.230 0.036 0.000 0.433 156 D N -0.755 119.706 120.400 0.101 0.000 2.097 156 D HA -0.255 4.443 4.640 0.097 0.000 0.195 156 D C 2.685 179.032 176.300 0.079 0.000 0.989 156 D CA 3.476 57.527 54.000 0.085 0.000 0.827 156 D CB -0.616 40.215 40.800 0.050 0.000 0.966 156 D HN -0.672 7.641 8.370 0.076 0.102 0.456 157 R N -1.765 118.771 120.500 0.060 0.000 2.092 157 R HA -0.144 4.210 4.340 0.023 0.000 0.231 157 R C 2.570 178.897 176.300 0.045 0.000 1.119 157 R CA 1.730 57.854 56.100 0.039 0.000 0.970 157 R CB -0.429 29.893 30.300 0.036 0.000 0.864 157 R HN -0.547 7.756 8.270 0.055 0.000 0.440 158 M N 0.462 120.120 119.600 0.097 0.000 2.099 158 M HA -0.277 4.248 4.480 0.076 0.000 0.262 158 M C 1.178 177.690 176.300 0.353 0.000 1.067 158 M CA 2.834 58.224 55.300 0.149 0.000 1.124 158 M CB -0.289 32.333 32.600 0.036 0.000 1.353 158 M HN 0.095 8.343 8.290 0.095 0.100 0.410 159 K N -0.995 119.660 120.400 0.426 0.000 2.026 159 K HA -0.407 4.139 4.320 0.377 0.000 0.208 159 K C 1.750 178.401 176.600 0.086 0.000 1.048 159 K CA 3.752 60.210 56.287 0.285 0.000 0.929 159 K CB -0.357 32.213 32.500 0.118 0.000 0.713 159 K HN -0.254 8.222 8.250 0.377 0.000 0.439 160 E N -0.951 119.270 120.200 0.034 0.000 2.070 160 E HA -0.328 4.007 4.350 -0.024 0.000 0.197 160 E C 1.375 177.906 176.600 -0.113 0.000 1.004 160 E CA 2.712 59.093 56.400 -0.032 0.000 0.805 160 E CB -0.002 29.681 29.700 -0.029 0.000 0.744 160 E HN -0.436 7.959 8.360 0.058 0.000 0.451 161 A N -2.584 120.099 122.820 -0.227 0.000 1.865 161 A HA -0.193 3.836 4.320 -0.485 0.000 0.217 161 A C 2.101 179.366 177.584 -0.531 0.000 1.191 161 A CA 2.818 54.526 52.037 -0.548 0.000 0.623 161 A CB -0.198 18.186 19.000 -1.027 0.000 0.826 161 A HN -0.524 7.521 8.150 -0.176 0.000 0.444 162 F N -2.403 117.369 119.950 -0.297 0.000 2.171 162 F HA -0.373 3.974 4.527 -0.301 0.000 0.300 162 F C 2.491 178.214 175.800 -0.127 0.000 1.090 162 F CA 3.406 61.265 58.000 -0.235 0.000 1.293 162 F CB -0.563 38.308 39.000 -0.215 0.000 1.013 162 F HN -0.366 7.813 8.300 -0.202 0.000 0.486 163 D N 0.183 120.613 120.400 0.050 0.000 2.097 163 D HA -0.229 4.478 4.640 0.112 0.000 0.195 163 D C 2.965 179.299 176.300 0.056 0.000 0.989 163 D CA 3.110 57.144 54.000 0.056 0.000 0.827 163 D CB -0.452 40.348 40.800 0.000 0.000 0.966 163 D HN 0.336 8.719 8.370 0.022 0.000 0.456 164 L N 0.692 121.903 121.223 -0.020 0.000 2.046 164 L HA -0.231 4.116 4.340 0.013 0.000 0.208 164 L C 2.390 179.274 176.870 0.022 0.000 1.077 164 L CA 1.078 55.906 54.840 -0.021 0.000 0.747 164 L CB -0.081 41.923 42.059 -0.092 0.000 0.896 164 L HN -0.158 nan 8.230 nan 0.000 0.432 165 L N -2.321 118.875 121.223 -0.046 0.000 2.131 165 L HA -0.404 3.987 4.340 0.084 0.000 0.210 165 L C 2.230 179.243 176.870 0.238 0.000 1.092 165 L CA 2.036 56.884 54.840 0.014 0.000 0.759 165 L CB -0.212 41.657 42.059 -0.317 0.000 0.903 165 L HN -0.096 8.056 8.230 -0.130 0.000 0.435 166 G N -2.293 106.636 108.800 0.215 0.000 2.421 166 G HA2 -0.339 3.802 3.960 0.302 0.000 0.217 166 G HA3 -0.339 3.859 3.960 0.397 0.000 0.217 166 G C 0.634 175.652 174.900 0.197 0.000 1.143 166 G CA 1.508 46.782 45.100 0.291 0.000 0.784 166 G HN -0.279 8.001 8.290 0.175 0.115 0.541 167 E N 2.884 123.178 120.200 0.155 0.000 2.107 167 E HA -0.257 4.137 4.350 0.073 0.000 0.191 167 E C 1.685 178.344 176.600 0.098 0.000 0.982 167 E CA 2.262 58.722 56.400 0.100 0.000 0.809 167 E CB -0.063 29.684 29.700 0.078 0.000 0.756 167 E HN -0.581 7.776 8.360 0.150 0.093 0.459 168 Y N 0.760 121.080 120.300 0.032 0.000 2.163 168 Y HA -0.276 4.260 4.550 -0.024 0.000 0.288 168 Y C 2.212 178.097 175.900 -0.025 0.000 1.136 168 Y CA 3.179 61.283 58.100 0.007 0.000 1.147 168 Y CB 0.239 38.721 38.460 0.036 0.000 0.987 168 Y HN -0.368 8.081 8.280 0.282 0.000 0.509 169 V N 0.726 120.667 119.914 0.045 0.000 2.295 169 V HA -0.463 3.578 4.120 -0.131 0.000 0.246 169 V C 2.172 178.161 176.094 -0.176 0.000 1.049 169 V CA 3.769 66.045 62.300 -0.040 0.000 1.024 169 V CB -1.331 30.593 31.823 0.168 0.000 0.648 169 V HN -0.328 8.022 8.190 0.267 0.000 0.447 170 T N -2.971 111.536 114.554 -0.077 0.000 2.915 170 T HA -0.171 4.126 4.350 -0.088 0.000 0.269 170 T C 1.581 176.186 174.700 -0.158 0.000 1.071 170 T CA 2.249 64.295 62.100 -0.089 0.000 1.132 170 T CB -0.178 68.675 68.868 -0.024 0.000 0.878 170 T HN 0.091 nan 8.240 nan 0.000 0.479 171 S N 1.165 116.741 115.700 -0.208 0.000 2.414 171 S HA -0.178 4.194 4.470 -0.163 0.000 0.227 171 S C 1.323 175.706 174.600 -0.362 0.000 1.022 171 S CA 2.492 60.554 58.200 -0.229 0.000 0.958 171 S CB 0.452 63.545 63.200 -0.178 0.000 0.797 171 S HN -0.310 7.761 8.310 -0.197 0.121 0.493 172 Q N -0.779 118.646 119.800 -0.625 0.000 2.425 172 Q HA 0.084 4.041 4.340 -0.637 0.000 0.204 172 Q C 0.696 176.306 176.000 -0.650 0.000 0.933 172 Q CA -0.536 54.748 55.803 -0.865 0.000 0.939 172 Q CB 0.262 27.916 28.738 -1.807 0.000 1.044 172 Q HN -0.560 7.205 8.270 -0.686 0.093 0.513 173 G N -0.903 107.655 108.800 -0.403 0.000 2.221 173 G HA2 -0.404 3.462 3.960 -0.156 0.000 0.265 173 G HA3 -0.404 3.469 3.960 -0.145 0.000 0.265 173 G C -0.325 174.529 174.900 -0.077 0.000 1.041 173 G CA 0.747 45.732 45.100 -0.193 0.000 0.807 173 G HN -0.550 7.333 8.290 -0.375 0.182 0.502 174 Y N -1.662 118.564 120.300 -0.123 0.000 2.359 174 Y HA -0.135 4.359 4.550 -0.093 0.000 0.330 174 Y C 0.301 176.135 175.900 -0.109 0.000 1.143 174 Y CA -1.563 56.470 58.100 -0.112 0.000 1.318 174 Y CB 0.280 38.663 38.460 -0.128 0.000 1.234 174 Y HN -0.500 7.610 8.280 -0.245 0.022 0.522 175 D N 5.793 126.235 120.400 0.070 0.000 2.896 175 D HA 0.099 4.721 4.640 -0.030 0.000 0.240 175 D C -1.497 174.762 176.300 -0.069 0.000 1.193 175 D CA 0.050 54.039 54.000 -0.019 0.000 0.983 175 D CB -0.762 40.022 40.800 -0.025 0.000 1.074 175 D HN 0.317 8.737 8.370 0.082 0.000 0.496 176 I N -1.076 119.433 120.570 -0.101 0.000 2.647 176 I HA 0.263 4.477 4.170 -0.157 -0.139 0.295 176 I C -2.084 173.861 176.117 -0.286 0.000 1.078 176 I CA -1.529 59.662 61.300 -0.183 0.000 1.048 176 I CB 3.388 41.264 38.000 -0.207 0.000 1.239 176 I HN -0.720 7.386 8.210 -0.077 0.058 0.421 177 R N 2.912 123.246 120.500 -0.278 0.000 2.787 177 R HA 0.404 4.566 4.340 -0.296 0.000 0.271 177 R C -1.213 174.958 176.300 -0.215 0.000 0.993 177 R CA -2.012 53.936 56.100 -0.254 0.000 0.993 177 R CB 3.026 33.190 30.300 -0.226 0.000 1.155 177 R HN -0.252 7.887 8.270 -0.218 0.000 0.486 178 F N -0.726 119.301 119.950 0.128 0.000 2.397 178 F HA 0.702 5.598 4.527 0.303 -0.187 0.331 178 F C -0.734 175.267 175.800 0.335 0.000 1.090 178 F CA -1.427 56.722 58.000 0.249 0.000 1.065 178 F CB 2.662 41.799 39.000 0.228 0.000 1.184 178 F HN -0.017 8.360 8.300 0.128 0.000 0.499 179 A N 0.850 123.976 122.820 0.509 0.000 2.385 179 A HA 0.453 4.953 4.320 0.300 0.000 0.290 179 A C -2.620 175.155 177.584 0.318 0.000 1.094 179 A CA -1.388 50.856 52.037 0.345 0.000 0.729 179 A CB 2.778 21.947 19.000 0.282 0.000 1.194 179 A HN 0.872 9.356 8.150 0.556 0.000 0.442 180 I N 5.124 125.839 120.570 0.242 0.000 2.342 180 I HA 0.140 4.668 4.170 0.336 -0.157 0.291 180 I C -0.710 175.553 176.117 0.243 0.000 1.010 180 I CA -0.337 61.112 61.300 0.249 0.000 1.308 180 I CB 1.733 39.811 38.000 0.131 0.000 1.400 180 I HN 0.176 8.495 8.210 0.181 0.000 0.488 181 E N 9.134 129.521 120.200 0.313 0.000 2.055 181 E HA 0.544 5.208 4.350 0.282 -0.145 0.274 181 E C -2.304 174.549 176.600 0.422 0.000 0.949 181 E CA -3.605 53.001 56.400 0.342 0.000 0.775 181 E CB 2.236 32.142 29.700 0.343 0.000 1.097 181 E HN -0.159 8.414 8.360 0.354 0.000 0.404 182 P HA 0.276 4.918 4.420 0.235 -0.081 0.276 182 P C -0.622 176.870 177.300 0.320 0.000 1.244 182 P CA -0.752 62.515 63.100 0.278 0.000 0.801 182 P CB 0.739 32.563 31.700 0.206 0.000 1.006 183 K N 2.049 122.549 120.400 0.166 0.000 2.561 183 K HA 0.349 4.629 4.320 -0.066 0.000 0.254 183 K C -1.425 175.159 176.600 -0.026 0.000 0.942 183 K CA -1.442 54.837 56.287 -0.013 0.000 0.818 183 K CB 2.348 34.810 32.500 -0.063 0.000 1.306 183 K HN 0.017 nan 8.250 nan 0.000 0.435 184 P HA -0.104 4.277 4.420 -0.066 0.000 0.213 184 P C -1.545 175.723 177.300 -0.053 0.000 1.170 184 P CA 1.224 64.296 63.100 -0.047 0.000 0.893 184 P CB 0.714 32.402 31.700 -0.020 0.000 0.784 185 N N -3.376 115.299 118.700 -0.042 0.000 2.934 185 N HA -0.120 4.595 4.740 -0.041 0.000 0.253 185 N C -1.935 173.568 175.510 -0.011 0.000 1.466 185 N CA -1.028 52.004 53.050 -0.029 0.000 0.858 185 N CB 3.573 42.050 38.487 -0.015 0.000 1.459 185 N HN -0.509 7.844 8.380 -0.046 0.000 0.532 186 E N -1.000 119.201 120.200 0.001 0.000 7.527 186 E HA -0.194 4.196 4.350 0.021 -0.028 0.389 186 E C -2.201 174.431 176.600 0.053 0.000 0.568 186 E CA -0.008 56.409 56.400 0.028 0.000 1.067 186 E CB 1.070 30.802 29.700 0.052 0.000 0.942 186 E HN 0.405 8.759 8.360 -0.010 0.000 0.262 187 P HA 0.005 4.439 4.420 0.022 0.000 0.241 187 P C -0.786 176.502 177.300 -0.020 0.000 1.191 187 P CA 0.615 63.719 63.100 0.007 0.000 0.771 187 P CB 0.245 31.950 31.700 0.008 0.000 0.929 188 R N -1.938 118.535 120.500 -0.046 0.000 2.500 188 R HA 0.267 4.754 4.340 -0.041 -0.171 0.275 188 R C 1.746 178.025 176.300 -0.034 0.000 1.051 188 R CA -2.279 53.791 56.100 -0.050 0.000 1.088 188 R CB 0.047 30.299 30.300 -0.079 0.000 1.063 188 R HN -0.870 7.306 8.270 -0.062 0.057 0.511 189 G N 2.344 111.127 108.800 -0.028 0.000 2.476 189 G HA2 -0.296 3.654 3.960 -0.017 0.000 0.218 189 G HA3 -0.296 3.658 3.960 -0.010 0.000 0.218 189 G C -0.512 174.372 174.900 -0.027 0.000 1.164 189 G CA 1.318 46.406 45.100 -0.019 0.000 0.768 189 G HN 0.268 8.839 8.290 -0.029 -0.298 0.560 190 D N 0.175 120.551 120.400 -0.041 0.000 2.936 190 D HA 0.317 4.926 4.640 -0.052 0.000 0.238 190 D C -1.895 174.360 176.300 -0.075 0.000 1.248 190 D CA -0.073 53.895 54.000 -0.053 0.000 0.903 190 D CB 3.274 44.046 40.800 -0.048 0.000 1.544 190 D HN -0.701 7.643 8.370 -0.043 0.000 0.543 191 I N 2.182 122.697 120.570 -0.091 0.000 2.392 191 I HA 0.307 4.587 4.170 -0.125 -0.185 0.295 191 I C -0.351 175.692 176.117 -0.124 0.000 0.985 191 I CA -0.779 60.450 61.300 -0.118 0.000 1.221 191 I CB 1.897 39.820 38.000 -0.128 0.000 1.366 191 I HN -0.087 8.072 8.210 -0.084 0.000 0.467 192 L N 5.106 126.252 121.223 -0.129 0.000 2.506 192 L HA -0.086 4.181 4.340 -0.121 0.000 0.281 192 L C 0.295 177.085 176.870 -0.133 0.000 1.228 192 L CA 0.782 55.544 54.840 -0.130 0.000 0.850 192 L CB 0.316 42.294 42.059 -0.135 0.000 1.110 192 L HN -0.127 8.023 8.230 -0.133 0.000 0.496 193 L N -5.575 115.571 121.223 -0.128 0.000 3.755 193 L HA -0.265 4.083 4.340 0.012 0.000 0.587 193 L C -1.333 175.489 176.870 -0.080 0.000 1.235 193 L CA -0.418 54.385 54.840 -0.062 0.000 0.876 193 L CB -1.983 40.039 42.059 -0.061 0.000 1.431 193 L HN 0.321 8.479 8.230 -0.119 0.000 0.840 194 P HA 0.012 4.531 4.420 -0.095 -0.156 0.225 194 P C -0.240 177.038 177.300 -0.036 0.000 1.156 194 P CA 0.906 63.906 63.100 -0.167 0.000 0.787 194 P CB 0.670 32.198 31.700 -0.287 0.000 0.802 195 T N -9.070 105.510 114.554 0.044 0.000 2.887 195 T HA 0.271 4.720 4.350 0.165 0.000 0.292 195 T C 0.658 175.492 174.700 0.224 0.000 1.087 195 T CA -3.243 58.972 62.100 0.192 0.000 1.009 195 T CB 3.263 72.289 68.868 0.262 0.000 1.203 195 T HN -0.999 7.246 8.240 0.008 0.000 0.518 196 V N 0.690 120.715 119.914 0.185 0.000 2.380 196 V HA -0.378 3.826 4.120 0.140 0.000 0.251 196 V C 1.530 177.696 176.094 0.121 0.000 1.063 196 V CA 3.996 66.379 62.300 0.138 0.000 1.055 196 V CB -0.492 31.384 31.823 0.088 0.000 0.657 196 V HN 0.109 8.727 8.190 0.183 -0.319 0.455 197 G N -2.293 106.583 108.800 0.127 0.000 2.418 197 G HA2 -0.287 3.678 3.960 0.009 0.000 0.217 197 G HA3 -0.287 3.691 3.960 0.031 0.000 0.217 197 G C 1.260 176.171 174.900 0.018 0.000 1.158 197 G CA 2.235 47.363 45.100 0.046 0.000 0.771 197 G HN -0.331 8.034 8.290 0.155 0.019 0.545 198 H N 2.185 121.291 119.070 0.059 0.000 2.423 198 H HA -0.183 4.412 4.556 0.065 0.000 0.297 198 H C 2.134 177.515 175.328 0.088 0.000 1.075 198 H CA 3.446 59.531 56.048 0.063 0.000 1.342 198 H CB -0.297 29.489 29.762 0.041 0.000 1.395 198 H HN -0.727 7.782 8.280 0.383 0.000 0.530 199 A N -0.618 122.325 122.820 0.206 0.000 1.897 199 A HA -0.184 4.250 4.320 0.190 0.000 0.215 199 A C 1.811 179.479 177.584 0.139 0.000 1.181 199 A CA 2.898 55.037 52.037 0.169 0.000 0.620 199 A CB -0.636 18.445 19.000 0.136 0.000 0.821 199 A HN -0.406 7.869 8.150 0.209 0.000 0.443 200 L N -2.436 118.838 121.223 0.086 0.000 2.093 200 L HA -0.410 3.937 4.340 0.011 0.000 0.208 200 L C 2.233 179.121 176.870 0.030 0.000 1.085 200 L CA 2.871 57.732 54.840 0.036 0.000 0.755 200 L CB -0.188 41.889 42.059 0.030 0.000 0.904 200 L HN -0.324 7.960 8.230 0.090 0.000 0.435 201 A N -1.126 121.725 122.820 0.051 0.000 1.929 201 A HA -0.203 4.123 4.320 0.010 0.000 0.216 201 A C 1.905 179.521 177.584 0.053 0.000 1.176 201 A CA 2.701 54.758 52.037 0.035 0.000 0.628 201 A CB -0.700 18.311 19.000 0.017 0.000 0.816 201 A HN -0.563 7.625 8.150 0.062 0.000 0.444 202 F N -1.039 118.888 119.950 -0.038 0.000 2.234 202 F HA -0.244 4.257 4.527 -0.042 0.000 0.299 202 F C 0.818 176.543 175.800 -0.125 0.000 1.087 202 F CA 2.340 60.306 58.000 -0.057 0.000 1.340 202 F CB 0.631 39.611 39.000 -0.033 0.000 1.031 202 F HN -0.603 7.851 8.300 0.257 0.000 0.500 203 I N -2.292 118.137 120.570 -0.235 0.000 2.493 203 I HA -0.402 3.386 4.170 -0.637 0.000 0.254 203 I C 0.959 176.890 176.117 -0.309 0.000 1.160 203 I CA 3.243 64.319 61.300 -0.374 0.000 1.445 203 I CB -0.362 37.544 38.000 -0.156 0.000 1.086 203 I HN -0.594 7.580 8.210 -0.024 0.022 0.433 204 E N -1.470 118.612 120.200 -0.196 0.000 2.478 204 E HA -0.194 4.090 4.350 -0.111 0.000 0.198 204 E C 2.091 178.589 176.600 -0.169 0.000 1.046 204 E CA 1.674 57.992 56.400 -0.136 0.000 0.870 204 E CB -0.729 28.926 29.700 -0.075 0.000 0.818 204 E HN -0.221 8.022 8.360 -0.153 0.026 0.527 205 R N -0.397 119.936 120.500 -0.278 0.000 2.397 205 R HA 0.199 4.436 4.340 -0.172 0.000 0.241 205 R C 0.610 176.716 176.300 -0.323 0.000 0.914 205 R CA -0.246 55.697 56.100 -0.261 0.000 1.071 205 R CB 0.209 30.363 30.300 -0.243 0.000 1.116 205 R HN -0.184 nan 8.270 nan 0.000 0.524 206 L N 1.443 122.421 121.223 -0.408 0.000 2.418 206 L HA 0.032 4.141 4.340 -0.385 0.000 0.265 206 L C 0.439 177.213 176.870 -0.161 0.000 1.143 206 L CA -0.840 53.767 54.840 -0.387 0.000 0.809 206 L CB 0.691 42.350 42.059 -0.666 0.000 1.124 206 L HN -0.539 nan 8.230 nan 0.000 0.456 207 E N 0.196 120.346 120.200 -0.083 0.000 2.085 207 E HA -0.238 4.098 4.350 -0.023 0.000 0.194 207 E C 0.338 176.968 176.600 0.050 0.000 0.994 207 E CA 1.911 58.307 56.400 -0.006 0.000 0.801 207 E CB 0.532 30.244 29.700 0.020 0.000 0.743 207 E HN 0.201 8.828 8.360 -0.097 -0.326 0.453 208 R N -3.522 117.065 120.500 0.146 0.000 2.564 208 R HA 0.451 4.929 4.340 0.124 -0.063 0.282 208 R C -2.196 174.300 176.300 0.327 0.000 1.573 208 R CA -3.108 53.113 56.100 0.201 0.000 1.588 208 R CB -0.269 30.152 30.300 0.202 0.000 1.154 208 R HN -0.364 8.022 8.270 0.194 0.000 0.606 209 P HA -0.101 4.457 4.420 0.230 0.000 0.219 209 P C 0.846 178.304 177.300 0.262 0.000 1.146 209 P CA 1.417 64.638 63.100 0.201 0.000 0.808 209 P CB 0.567 32.294 31.700 0.045 0.000 0.779 210 E N -1.639 118.675 120.200 0.191 0.000 2.472 210 E HA -0.226 4.239 4.350 0.193 0.000 0.200 210 E C 1.369 178.083 176.600 0.189 0.000 1.046 210 E CA 1.854 58.357 56.400 0.172 0.000 0.871 210 E CB -1.470 28.287 29.700 0.096 0.000 0.806 210 E HN 0.456 8.871 8.360 0.156 0.038 0.533 211 L N -0.013 121.301 121.223 0.151 0.000 2.667 211 L HA 0.139 4.482 4.340 0.006 0.000 0.232 211 L C -1.743 175.022 176.870 -0.175 0.000 1.138 211 L CA -0.474 54.328 54.840 -0.064 0.000 0.921 211 L CB 0.540 42.458 42.059 -0.234 0.000 1.180 211 L HN -0.404 nan 8.230 nan 0.000 0.487 212 Y N -2.683 117.822 120.300 0.342 0.000 2.442 212 Y HA 0.315 5.252 4.550 0.376 -0.162 0.344 212 Y C -0.649 175.212 175.900 -0.065 0.000 0.976 212 Y CA -1.208 57.032 58.100 0.234 0.000 1.040 212 Y CB 3.418 41.882 38.460 0.007 0.000 1.228 212 Y HN -0.634 7.840 8.280 0.425 0.060 0.451 213 G N 1.851 110.509 108.800 -0.237 0.000 3.286 213 G HA2 0.332 2.958 3.960 -2.289 0.000 0.166 213 G HA3 0.332 3.623 3.960 -1.115 0.000 0.166 213 G C -0.812 173.876 174.900 -0.353 0.000 1.155 213 G CA -0.027 44.414 45.100 -1.098 0.000 0.871 213 G HN 0.249 8.602 8.290 0.105 0.000 0.637 214 V N -2.936 116.820 119.914 -0.263 0.000 2.924 214 V HA 0.452 4.595 4.120 0.038 0.000 0.300 214 V C -2.744 173.399 176.094 0.083 0.000 1.227 214 V CA -1.126 61.161 62.300 -0.023 0.000 0.954 214 V CB 2.267 34.074 31.823 -0.028 0.000 1.055 214 V HN -0.228 nan 8.190 nan 0.000 0.429 215 N N 4.222 123.016 118.700 0.156 0.000 2.976 215 N HA 0.541 5.635 4.740 0.217 -0.224 0.255 215 N C -2.319 173.311 175.510 0.199 0.000 1.312 215 N CA -3.085 50.090 53.050 0.207 0.000 0.897 215 N CB 1.347 39.971 38.487 0.228 0.000 1.184 215 N HN 0.098 8.470 8.380 0.163 0.106 0.497 216 P HA 0.077 4.655 4.420 0.264 0.000 0.275 216 P C -2.128 175.354 177.300 0.303 0.000 1.228 216 P CA -0.448 62.815 63.100 0.270 0.000 0.786 216 P CB 0.895 32.740 31.700 0.242 0.000 0.927 217 E N 1.568 121.877 120.200 0.181 0.000 2.199 217 E HA 0.475 4.951 4.350 -0.125 -0.202 0.269 217 E C 1.077 177.408 176.600 -0.449 0.000 0.899 217 E CA -2.775 53.513 56.400 -0.187 0.000 0.772 217 E CB 2.950 32.213 29.700 -0.728 0.000 1.155 217 E HN 0.187 8.681 8.360 0.224 0.000 0.408 218 V N 6.607 125.975 119.914 -0.909 0.000 2.252 218 V HA -0.473 2.035 4.120 -2.686 0.000 0.249 218 V C 1.795 177.562 176.094 -0.545 0.000 1.056 218 V CA 4.516 66.027 62.300 -1.314 0.000 1.022 218 V CB -0.545 30.859 31.823 -0.698 0.000 0.641 218 V HN 0.036 7.838 8.190 -0.646 0.000 0.445 219 G N -3.078 105.539 108.800 -0.305 0.000 2.418 219 G HA2 -0.349 3.554 3.960 -0.095 0.000 0.217 219 G HA3 -0.349 3.539 3.960 -0.120 0.000 0.217 219 G C 0.728 175.648 174.900 0.034 0.000 1.158 219 G CA 2.182 47.209 45.100 -0.120 0.000 0.771 219 G HN -0.324 8.008 8.290 -0.320 -0.234 0.545 220 H N 2.107 121.126 119.070 -0.086 0.000 2.267 220 H HA -0.356 4.189 4.556 -0.017 0.000 0.297 220 H C 2.792 178.143 175.328 0.037 0.000 1.080 220 H CA 2.323 58.364 56.048 -0.011 0.000 1.278 220 H CB -0.040 29.738 29.762 0.025 0.000 1.365 220 H HN -0.389 7.867 8.280 -0.040 0.000 0.489 221 E N -1.874 118.469 120.200 0.237 0.000 2.118 221 E HA -0.347 4.132 4.350 0.215 0.000 0.195 221 E C 2.274 178.959 176.600 0.142 0.000 0.992 221 E CA 2.641 59.180 56.400 0.233 0.000 0.804 221 E CB -1.125 28.825 29.700 0.418 0.000 0.741 221 E HN -0.483 8.022 8.360 0.241 0.000 0.458 222 Q N -1.950 117.900 119.800 0.084 0.000 2.291 222 Q HA -0.145 4.225 4.340 0.051 0.000 0.205 222 Q C 2.967 178.982 176.000 0.024 0.000 0.970 222 Q CA 2.054 57.879 55.803 0.037 0.000 0.876 222 Q CB -0.084 28.645 28.738 -0.015 0.000 0.935 222 Q HN -0.672 7.620 8.270 0.055 0.010 0.455 223 M N -1.189 118.431 119.600 0.033 0.000 2.446 223 M HA -0.236 4.243 4.480 -0.003 0.000 0.263 223 M C 0.765 177.079 176.300 0.023 0.000 1.066 223 M CA 2.862 58.171 55.300 0.016 0.000 1.087 223 M CB 0.327 32.936 32.600 0.015 0.000 1.406 223 M HN -0.377 7.790 8.290 0.054 0.155 0.459 224 A N -4.478 118.365 122.820 0.040 0.000 2.430 224 A HA 0.260 4.597 4.320 0.028 0.000 0.243 224 A C 0.143 177.750 177.584 0.038 0.000 1.254 224 A CA -0.698 51.362 52.037 0.039 0.000 0.914 224 A CB 0.868 19.899 19.000 0.050 0.000 0.998 224 A HN -0.618 7.515 8.150 0.054 0.049 0.515 225 G N -0.877 107.943 108.800 0.034 0.000 2.198 225 G HA2 -0.368 3.604 3.960 0.021 0.000 0.257 225 G HA3 -0.368 3.603 3.960 0.019 0.000 0.257 225 G C -0.659 174.260 174.900 0.031 0.000 1.042 225 G CA 0.487 45.602 45.100 0.025 0.000 0.791 225 G HN -0.384 7.732 8.290 0.033 0.194 0.502 226 L N -2.992 118.262 121.223 0.052 0.000 2.400 226 L HA 0.128 4.490 4.340 0.038 0.000 0.264 226 L C -0.598 176.299 176.870 0.045 0.000 1.061 226 L CA -1.258 53.616 54.840 0.056 0.000 0.799 226 L CB 1.314 43.429 42.059 0.092 0.000 1.240 226 L HN -0.868 7.401 8.230 0.065 0.000 0.461 227 N N -0.400 118.298 118.700 -0.004 0.000 2.521 227 N HA -0.053 4.648 4.740 -0.064 0.000 0.236 227 N C -0.572 174.960 175.510 0.036 0.000 1.067 227 N CA -0.877 52.117 53.050 -0.093 0.000 0.939 227 N CB -0.670 37.533 38.487 -0.472 0.000 1.201 227 N HN 0.156 8.534 8.380 -0.002 0.000 0.511 228 F N 7.247 127.186 119.950 -0.019 0.000 2.063 228 F HA -0.213 4.338 4.527 0.041 0.000 0.298 228 F C -1.239 174.591 175.800 0.049 0.000 1.109 228 F CA 4.585 62.603 58.000 0.030 0.000 1.212 228 F CB -1.839 37.189 39.000 0.047 0.000 0.973 228 F HN -0.115 8.343 8.300 0.263 0.000 0.480 229 P HA -0.252 4.148 4.420 -0.033 0.000 0.215 229 P C 2.438 179.756 177.300 0.030 0.000 1.153 229 P CA 2.752 65.866 63.100 0.023 0.000 0.853 229 P CB -0.907 30.870 31.700 0.129 0.000 0.788 230 H N -0.143 118.866 119.070 -0.101 0.000 2.353 230 H HA -0.072 4.409 4.556 -0.126 0.000 0.300 230 H C 2.728 177.976 175.328 -0.132 0.000 1.090 230 H CA 0.492 56.470 56.048 -0.116 0.000 1.327 230 H CB -0.139 29.567 29.762 -0.094 0.000 1.383 230 H HN 0.422 nan 8.280 nan 0.000 0.508 231 G N 1.955 110.746 108.800 -0.016 0.000 2.421 231 G HA2 -0.211 3.685 3.960 -0.107 0.000 0.216 231 G HA3 -0.211 3.731 3.960 -0.031 0.000 0.216 231 G C 1.469 176.260 174.900 -0.183 0.000 1.171 231 G CA 0.710 45.755 45.100 -0.091 0.000 0.775 231 G HN 0.165 nan 8.290 nan 0.000 0.543 232 I N 2.145 122.506 120.570 -0.350 0.000 2.286 232 I HA -0.337 3.640 4.170 -0.322 0.000 0.248 232 I C 1.626 177.657 176.117 -0.144 0.000 1.115 232 I CA 0.124 61.227 61.300 -0.328 0.000 1.392 232 I CB -1.081 36.652 38.000 -0.446 0.000 1.065 232 I HN -0.013 7.926 8.210 -0.452 0.000 0.418 233 A N -0.667 122.094 122.820 -0.099 0.000 1.883 233 A HA -0.419 3.887 4.320 -0.023 0.000 0.217 233 A C 1.953 179.542 177.584 0.008 0.000 1.186 233 A CA 3.470 55.481 52.037 -0.044 0.000 0.624 233 A CB -1.042 17.911 19.000 -0.079 0.000 0.822 233 A HN -0.153 7.932 8.150 -0.109 0.000 0.444 234 Q N -0.754 119.036 119.800 -0.016 0.000 2.084 234 Q HA -0.361 4.023 4.340 0.074 0.000 0.202 234 Q C 2.061 178.145 176.000 0.140 0.000 0.978 234 Q CA 3.017 58.853 55.803 0.056 0.000 0.844 234 Q CB -0.166 28.574 28.738 0.003 0.000 0.898 234 Q HN -0.449 7.791 8.270 -0.050 0.000 0.426 235 A N -0.168 122.679 122.820 0.045 0.000 1.877 235 A HA -0.340 4.000 4.320 0.032 0.000 0.216 235 A C 2.170 179.786 177.584 0.053 0.000 1.186 235 A CA 3.110 55.162 52.037 0.024 0.000 0.620 235 A CB -0.567 18.409 19.000 -0.040 0.000 0.822 235 A HN -0.597 7.550 8.150 -0.005 0.000 0.443 236 L N -2.787 118.472 121.223 0.060 0.000 2.046 236 L HA -0.364 4.022 4.340 0.076 0.000 0.208 236 L C 2.624 179.574 176.870 0.133 0.000 1.077 236 L CA 2.676 57.567 54.840 0.086 0.000 0.747 236 L CB -0.268 41.835 42.059 0.073 0.000 0.896 236 L HN -0.315 7.935 8.230 0.033 0.000 0.432 237 W N 1.284 122.569 121.300 -0.024 0.000 2.363 237 W HA -0.374 4.279 4.660 -0.013 0.000 0.296 237 W C 0.743 177.255 176.519 -0.011 0.000 1.212 237 W CA 3.300 60.633 57.345 -0.020 0.000 1.260 237 W CB 0.087 29.526 29.460 -0.035 0.000 1.131 237 W HN -0.014 8.348 8.180 0.304 0.000 0.530 238 A N -4.975 117.871 122.820 0.044 0.000 2.307 238 A HA 0.202 4.333 4.320 -0.315 0.000 0.218 238 A C -0.176 177.361 177.584 -0.079 0.000 1.228 238 A CA -0.436 51.533 52.037 -0.112 0.000 0.857 238 A CB -0.234 18.776 19.000 0.016 0.000 0.897 238 A HN -0.705 7.437 8.150 0.176 0.114 0.495 239 G N 0.271 109.056 108.800 -0.026 0.000 2.371 239 G HA2 -0.300 3.683 3.960 0.038 0.000 0.299 239 G HA3 -0.300 3.706 3.960 0.077 0.000 0.299 239 G C 0.074 175.021 174.900 0.078 0.000 1.014 239 G CA 0.963 46.091 45.100 0.046 0.000 1.097 239 G HN -0.539 7.534 8.290 -0.011 0.211 0.512 240 K N -3.282 117.103 120.400 -0.026 0.000 2.483 240 K HA 0.247 4.258 4.320 -0.514 0.000 0.206 240 K C -0.769 175.642 176.600 -0.315 0.000 1.086 240 K CA -1.365 54.737 56.287 -0.308 0.000 1.052 240 K CB 0.924 33.264 32.500 -0.267 0.000 0.904 240 K HN -0.241 8.004 8.250 -0.009 0.000 0.557 241 L N 2.304 123.536 121.223 0.015 0.000 2.384 241 L HA -0.063 4.288 4.340 0.019 0.000 0.258 241 L C -0.845 176.262 176.870 0.394 0.000 1.266 241 L CA -0.405 54.494 54.840 0.099 0.000 1.162 241 L CB -1.389 40.694 42.059 0.040 0.000 1.375 241 L HN -0.236 8.042 8.230 0.080 0.000 0.420 242 F N 2.560 122.607 119.950 0.161 0.000 2.456 242 F HA -0.090 4.540 4.527 0.173 0.000 0.298 242 F C -0.339 175.636 175.800 0.292 0.000 1.104 242 F CA 0.264 58.379 58.000 0.192 0.000 1.435 242 F CB 0.426 39.517 39.000 0.152 0.000 1.078 242 F HN -0.516 7.854 8.300 0.174 0.034 0.546 243 H N -3.336 115.928 119.070 0.323 0.000 2.967 243 H HA 0.299 5.045 4.556 0.315 0.000 0.318 243 H C -0.392 175.014 175.328 0.130 0.000 1.375 243 H CA -0.275 55.916 56.048 0.238 0.000 1.132 243 H CB 3.044 32.899 29.762 0.156 0.000 1.848 243 H HN -0.715 7.798 8.280 0.389 0.000 0.524 244 I N 4.282 124.811 120.570 -0.068 0.000 2.775 244 I HA 0.219 4.458 4.170 0.115 0.000 0.295 244 I C -3.130 173.021 176.117 0.056 0.000 1.287 244 I CA -0.097 61.206 61.300 0.005 0.000 1.029 244 I CB 3.369 41.267 38.000 -0.169 0.000 1.282 244 I HN 0.254 nan 8.210 nan 0.000 0.426 245 D N 6.369 126.848 120.400 0.132 0.000 2.381 245 D HA 0.429 5.169 4.640 0.166 0.000 0.235 245 D C -1.236 175.047 176.300 -0.029 0.000 1.068 245 D CA -0.990 53.078 54.000 0.113 0.000 0.832 245 D CB 1.617 42.500 40.800 0.139 0.000 1.101 245 D HN -0.133 8.329 8.370 0.153 0.000 0.515 246 L N 2.502 123.663 121.223 -0.104 0.000 2.325 246 L HA 0.300 4.635 4.340 -0.008 0.000 0.279 246 L C -1.702 175.277 176.870 0.181 0.000 1.054 246 L CA -0.054 54.765 54.840 -0.034 0.000 0.804 246 L CB 1.063 42.895 42.059 -0.378 0.000 1.200 246 L HN 0.158 8.274 8.230 -0.190 0.000 0.436 247 N N -1.757 117.120 118.700 0.295 0.000 3.411 247 N HA 0.025 4.971 4.740 0.270 -0.043 0.312 247 N C -1.912 173.671 175.510 0.121 0.000 1.454 247 N CA -0.725 52.453 53.050 0.213 0.000 0.863 247 N CB 2.025 40.563 38.487 0.084 0.000 1.747 247 N HN -0.155 8.444 8.380 0.366 0.000 0.474 248 G N -3.498 105.313 108.800 0.019 0.000 2.519 248 G HA2 0.246 4.168 3.960 -0.063 0.000 0.307 248 G HA3 0.246 4.159 3.960 -0.078 0.000 0.307 248 G C -2.804 172.048 174.900 -0.081 0.000 1.266 248 G CA -1.106 43.961 45.100 -0.056 0.000 0.970 248 G HN 0.052 8.286 8.290 0.032 0.075 0.481 249 Q N -0.234 119.506 119.800 -0.100 0.000 2.281 249 Q HA 0.092 4.350 4.340 -0.137 0.000 0.263 249 Q C -1.859 174.079 176.000 -0.103 0.000 0.989 249 Q CA -0.770 54.963 55.803 -0.116 0.000 0.852 249 Q CB 3.460 32.131 28.738 -0.112 0.000 1.337 249 Q HN 0.211 8.422 8.270 -0.099 0.000 0.418 250 N N 6.904 125.534 118.700 -0.117 0.000 2.868 250 N HA -0.028 4.670 4.740 -0.071 0.000 0.252 250 N C 1.149 176.614 175.510 -0.076 0.000 1.130 250 N CA 0.488 53.486 53.050 -0.086 0.000 1.026 250 N CB -0.425 38.017 38.487 -0.075 0.000 1.335 250 N HN 0.374 9.010 8.380 -0.150 -0.346 0.516 251 G N 3.799 112.565 108.800 -0.057 0.000 2.566 251 G HA2 -0.352 3.589 3.960 -0.031 0.000 0.280 251 G HA3 -0.352 3.590 3.960 -0.029 0.000 0.280 251 G C -1.635 173.240 174.900 -0.042 0.000 1.225 251 G CA -0.625 44.452 45.100 -0.038 0.000 0.966 251 G HN 0.037 nan 8.290 nan 0.000 0.560 252 I N 3.202 123.758 120.570 -0.024 0.000 2.315 252 I HA 0.019 4.177 4.170 -0.020 0.000 0.291 252 I C -0.743 175.366 176.117 -0.012 0.000 1.006 252 I CA 0.163 61.454 61.300 -0.015 0.000 1.265 252 I CB 0.071 38.072 38.000 0.002 0.000 1.387 252 I HN 0.101 8.301 8.210 -0.017 0.000 0.475 253 K N 5.403 125.790 120.400 -0.023 0.000 3.910 253 K HA -0.001 4.358 4.320 0.064 0.000 0.469 253 K C -1.148 175.449 176.600 -0.004 0.000 1.006 253 K CA -1.034 55.263 56.287 0.016 0.000 0.819 253 K CB 0.325 32.836 32.500 0.019 0.000 1.548 253 K HN 0.152 8.381 8.250 -0.035 0.000 0.603 254 Y N -1.965 118.349 120.300 0.024 0.000 2.641 254 Y HA -0.111 4.451 4.550 0.019 0.000 0.351 254 Y C -1.200 174.706 175.900 0.010 0.000 1.269 254 Y CA -0.901 57.212 58.100 0.022 0.000 1.485 254 Y CB 0.068 38.553 38.460 0.042 0.000 1.364 254 Y HN -0.161 nan 8.280 nan 0.000 0.651 255 D N 1.453 121.869 120.400 0.027 0.000 2.383 255 D HA -0.098 4.470 4.640 -0.120 0.000 0.245 255 D C -0.218 175.988 176.300 -0.156 0.000 1.263 255 D CA 0.041 53.997 54.000 -0.074 0.000 0.936 255 D CB 0.099 40.903 40.800 0.007 0.000 1.053 255 D HN -0.067 8.812 8.370 0.190 -0.395 0.507 256 Q N 4.622 124.187 119.800 -0.391 0.000 2.046 256 Q HA -0.244 3.941 4.340 -0.257 0.000 0.200 256 Q C 0.271 176.190 176.000 -0.134 0.000 0.975 256 Q CA 1.714 57.333 55.803 -0.307 0.000 0.836 256 Q CB 0.574 29.113 28.738 -0.331 0.000 0.896 256 Q HN -0.224 8.048 8.270 -0.421 -0.255 0.428 257 D N -3.747 116.584 120.400 -0.114 0.000 2.800 257 D HA -0.339 4.273 4.640 -0.047 0.000 0.232 257 D C -1.185 175.123 176.300 0.013 0.000 1.137 257 D CA 1.096 55.056 54.000 -0.067 0.000 0.718 257 D CB -1.827 38.891 40.800 -0.138 0.000 1.084 257 D HN -0.350 7.947 8.370 -0.122 0.000 0.432 258 L N -1.620 119.611 121.223 0.014 0.000 2.476 258 L HA -0.120 4.284 4.340 0.107 0.000 0.264 258 L C 1.889 178.842 176.870 0.138 0.000 1.224 258 L CA 0.273 55.156 54.840 0.073 0.000 0.821 258 L CB 0.384 42.447 42.059 0.007 0.000 1.101 258 L HN -0.599 7.612 8.230 -0.032 0.000 0.488 259 R N 0.859 121.438 120.500 0.130 0.000 2.679 259 R HA -0.089 4.169 4.340 -0.137 0.000 0.268 259 R C -0.481 175.781 176.300 -0.064 0.000 1.044 259 R CA -0.652 55.408 56.100 -0.065 0.000 1.105 259 R CB 0.386 30.569 30.300 -0.195 0.000 0.989 259 R HN 0.067 nan 8.270 nan 0.000 0.447 260 F N 3.305 123.095 119.950 -0.266 0.000 2.629 260 F HA -0.400 4.156 4.527 -0.058 -0.063 0.377 260 F C 0.345 176.071 175.800 -0.124 0.000 1.101 260 F CA 1.429 59.347 58.000 -0.137 0.000 1.301 260 F CB 0.791 39.743 39.000 -0.081 0.000 1.062 260 F HN 0.101 8.313 8.300 -0.147 0.000 0.583 261 G N 5.538 113.841 108.800 -0.828 0.000 2.345 261 G HA2 -0.455 3.216 3.960 -0.480 0.000 0.218 261 G HA3 -0.455 3.034 3.960 -0.784 0.000 0.218 261 G C -1.361 173.336 174.900 -0.338 0.000 1.058 261 G CA -0.209 44.516 45.100 -0.625 0.000 0.632 261 G HN 0.298 7.980 8.290 -1.014 0.000 0.508 262 A N 1.856 124.538 122.820 -0.230 0.000 2.387 262 A HA 0.023 4.262 4.320 -0.134 0.000 0.251 262 A C 0.262 177.764 177.584 -0.136 0.000 1.113 262 A CA 0.703 52.654 52.037 -0.144 0.000 0.794 262 A CB 0.099 19.046 19.000 -0.089 0.000 1.069 262 A HN -0.607 7.333 8.150 -0.217 0.080 0.506 263 G N -0.470 108.271 108.800 -0.099 0.000 2.565 263 G HA2 -0.352 3.670 3.960 -0.090 0.000 0.295 263 G HA3 -0.352 3.760 3.960 -0.074 -0.196 0.295 263 G C -0.781 174.067 174.900 -0.087 0.000 1.165 263 G CA 0.592 45.640 45.100 -0.087 0.000 0.977 263 G HN -0.067 8.172 8.290 -0.085 0.000 0.546 264 D N 1.985 122.336 120.400 -0.081 0.000 2.383 264 D HA -0.030 4.580 4.640 -0.050 0.000 0.245 264 D C 1.733 177.984 176.300 -0.082 0.000 1.263 264 D CA -0.770 53.194 54.000 -0.059 0.000 0.936 264 D CB -0.204 40.580 40.800 -0.026 0.000 1.053 264 D HN -0.035 8.285 8.370 -0.083 0.000 0.507 265 L N 9.591 130.757 121.223 -0.095 0.000 2.027 265 L HA 0.041 4.277 4.340 -0.173 0.000 0.206 265 L C 1.860 178.676 176.870 -0.090 0.000 1.074 265 L CA 1.604 56.368 54.840 -0.128 0.000 0.745 265 L CB -0.350 41.629 42.059 -0.134 0.000 0.898 265 L HN 0.178 nan 8.230 nan 0.000 0.433 266 R N 0.451 120.918 120.500 -0.054 0.000 2.096 266 R HA -0.185 4.084 4.340 -0.117 0.000 0.235 266 R C 2.996 179.377 176.300 0.134 0.000 1.127 266 R CA 1.198 57.289 56.100 -0.015 0.000 0.968 266 R CB -0.774 29.549 30.300 0.039 0.000 0.861 266 R HN 0.538 nan 8.270 nan 0.000 0.440 267 A N 0.813 123.720 122.820 0.145 0.000 1.933 267 A HA -0.097 4.419 4.320 0.327 0.000 0.218 267 A C 1.882 179.583 177.584 0.195 0.000 1.175 267 A CA 1.252 53.416 52.037 0.213 0.000 0.628 267 A CB -0.387 18.693 19.000 0.132 0.000 0.814 267 A HN 0.386 nan 8.150 nan 0.000 0.444 268 A N -1.325 121.533 122.820 0.063 0.000 1.898 268 A HA -0.324 4.069 4.320 0.123 0.000 0.216 268 A C 1.135 178.751 177.584 0.054 0.000 1.181 268 A CA 2.245 54.288 52.037 0.010 0.000 0.620 268 A CB -0.217 18.590 19.000 -0.320 0.000 0.819 268 A HN -0.245 7.803 8.150 0.003 0.103 0.442 269 F N 0.458 120.304 119.950 -0.173 0.000 2.102 269 F HA -0.360 4.017 4.527 -0.250 0.000 0.298 269 F C 1.065 176.726 175.800 -0.231 0.000 1.105 269 F CA 3.875 61.697 58.000 -0.298 0.000 1.239 269 F CB 0.123 38.808 39.000 -0.525 0.000 0.991 269 F HN -0.673 7.676 8.300 0.082 0.000 0.474 270 W N -3.003 118.249 121.300 -0.080 0.000 2.402 270 W HA -0.374 4.062 4.660 -0.374 0.000 0.286 270 W C 1.993 178.444 176.519 -0.114 0.000 1.221 270 W CA 2.495 59.740 57.345 -0.167 0.000 1.257 270 W CB 0.069 29.537 29.460 0.013 0.000 1.120 270 W HN -0.378 7.871 8.180 0.114 0.000 0.551 271 L N -0.088 121.260 121.223 0.209 0.000 2.005 271 L HA -0.275 4.177 4.340 0.185 0.000 0.207 271 L C 1.418 178.352 176.870 0.107 0.000 1.072 271 L CA 3.515 58.478 54.840 0.205 0.000 0.744 271 L CB -0.386 41.890 42.059 0.362 0.000 0.895 271 L HN -0.428 7.827 8.230 0.225 0.110 0.433 272 V N -0.822 119.111 119.914 0.032 0.000 2.332 272 V HA -0.523 3.574 4.120 -0.038 0.000 0.248 272 V C 2.002 178.018 176.094 -0.130 0.000 1.055 272 V CA 4.688 66.923 62.300 -0.109 0.000 1.038 272 V CB -1.106 30.528 31.823 -0.315 0.000 0.651 272 V HN -0.222 7.992 8.190 0.041 0.000 0.450 273 D N -0.202 120.066 120.400 -0.220 0.000 2.092 273 D HA -0.306 4.231 4.640 -0.171 0.000 0.193 273 D C 2.320 178.613 176.300 -0.011 0.000 0.994 273 D CA 3.289 57.187 54.000 -0.170 0.000 0.828 273 D CB 0.114 40.749 40.800 -0.275 0.000 0.963 273 D HN -0.596 7.578 8.370 -0.312 0.008 0.450 274 L N 0.071 121.315 121.223 0.035 0.000 2.046 274 L HA -0.255 4.122 4.340 0.062 0.000 0.208 274 L C 1.792 178.695 176.870 0.053 0.000 1.077 274 L CA 2.766 57.638 54.840 0.054 0.000 0.747 274 L CB -0.177 41.913 42.059 0.051 0.000 0.896 274 L HN -0.639 7.616 8.230 0.041 0.000 0.432 275 L N -2.244 119.015 121.223 0.060 0.000 2.083 275 L HA -0.455 3.942 4.340 0.095 0.000 0.209 275 L C 2.271 179.230 176.870 0.149 0.000 1.083 275 L CA 3.388 58.295 54.840 0.112 0.000 0.752 275 L CB -0.726 41.426 42.059 0.155 0.000 0.899 275 L HN -0.099 8.163 8.230 0.053 0.000 0.433 276 E N -1.877 118.382 120.200 0.097 0.000 2.112 276 E HA -0.193 4.219 4.350 0.104 0.000 0.190 276 E C 2.803 179.441 176.600 0.063 0.000 0.979 276 E CA 1.898 58.346 56.400 0.081 0.000 0.814 276 E CB -0.306 29.418 29.700 0.041 0.000 0.762 276 E HN -0.168 8.230 8.360 0.063 0.000 0.460 277 S N -0.345 115.389 115.700 0.056 0.000 2.395 277 S HA -0.168 4.329 4.470 0.046 0.000 0.225 277 S C 1.573 176.208 174.600 0.059 0.000 1.027 277 S CA 2.454 60.686 58.200 0.053 0.000 0.965 277 S CB 0.173 63.407 63.200 0.057 0.000 0.812 277 S HN 0.233 8.574 8.310 0.052 0.000 0.482 278 A N -0.349 122.513 122.820 0.071 0.000 2.067 278 A HA -0.076 4.285 4.320 0.068 0.000 0.219 278 A C 0.324 177.959 177.584 0.085 0.000 1.158 278 A CA 0.999 53.083 52.037 0.078 0.000 0.661 278 A CB 0.234 19.286 19.000 0.086 0.000 0.801 278 A HN 0.002 8.196 8.150 0.074 0.000 0.452 279 G N -3.575 105.279 108.800 0.090 0.000 2.142 279 G HA2 -0.353 3.635 3.960 0.048 0.000 0.225 279 G HA3 -0.353 3.638 3.960 0.052 0.000 0.225 279 G C -0.429 174.521 174.900 0.084 0.000 1.015 279 G CA -0.484 44.657 45.100 0.067 0.000 0.716 279 G HN -0.506 7.801 8.290 0.094 0.039 0.508 280 Y N -0.090 120.213 120.300 0.005 0.000 2.802 280 Y HA -0.228 4.321 4.550 -0.002 0.000 0.333 280 Y C -0.518 175.359 175.900 -0.039 0.000 1.244 280 Y CA 0.523 58.618 58.100 -0.008 0.000 1.558 280 Y CB 1.053 39.512 38.460 -0.001 0.000 1.233 280 Y HN -0.749 7.682 8.280 0.252 0.000 0.547 281 S N 7.689 123.046 115.700 -0.572 0.000 2.505 281 S HA 0.010 4.220 4.470 -0.434 0.000 0.216 281 S C 0.114 174.236 174.600 -0.796 0.000 1.018 281 S CA 0.739 58.615 58.200 -0.540 0.000 0.911 281 S CB 0.728 63.756 63.200 -0.287 0.000 0.818 281 S HN 0.269 8.303 8.310 -0.461 0.000 0.497 282 G N 1.188 109.180 108.800 -1.347 0.000 2.720 282 G HA2 -0.040 3.432 3.960 -0.813 0.000 0.237 282 G HA3 -0.040 3.632 3.960 -0.480 0.000 0.237 282 G C -2.415 172.054 174.900 -0.718 0.000 1.239 282 G CA -1.505 43.048 45.100 -0.912 0.000 0.847 282 G HN -0.111 7.130 8.290 -1.748 0.000 0.593 283 P HA -0.021 4.181 4.420 -0.364 0.000 0.271 283 P C -1.121 175.992 177.300 -0.311 0.000 1.218 283 P CA -0.144 62.771 63.100 -0.308 0.000 0.780 283 P CB 1.069 32.696 31.700 -0.122 0.000 0.901 284 R N 1.976 122.233 120.500 -0.405 0.000 2.870 284 R HA 0.212 4.287 4.340 -0.441 0.000 0.254 284 R C -0.641 175.193 176.300 -0.777 0.000 1.392 284 R CA -1.865 53.896 56.100 -0.566 0.000 1.322 284 R CB -1.010 28.841 30.300 -0.748 0.000 1.205 284 R HN 0.274 8.280 8.270 -0.439 0.000 0.597 285 H N 3.266 121.935 119.070 -0.668 0.000 2.790 285 H HA 0.079 4.500 4.556 -0.485 -0.156 0.358 285 H C -1.004 173.865 175.328 -0.765 0.000 1.103 285 H CA 0.274 56.004 56.048 -0.530 0.000 1.426 285 H CB 1.737 31.459 29.762 -0.067 0.000 1.424 285 H HN -0.487 7.568 8.280 -0.375 0.000 0.599 286 F N 3.714 123.131 119.950 -0.887 0.000 2.532 286 F HA 0.293 4.700 4.527 -0.471 -0.163 0.365 286 F C -0.616 174.874 175.800 -0.518 0.000 1.112 286 F CA -1.980 55.619 58.000 -0.668 0.000 1.082 286 F CB 1.100 39.592 39.000 -0.846 0.000 1.319 286 F HN -0.173 7.422 8.300 -1.175 0.000 0.457 287 D N 5.740 126.064 120.400 -0.126 0.000 2.564 287 D HA 0.137 4.780 4.640 0.004 0.000 0.226 287 D C -2.009 174.403 176.300 0.188 0.000 1.149 287 D CA -1.740 52.303 54.000 0.071 0.000 0.994 287 D CB -0.552 40.383 40.800 0.225 0.000 1.029 287 D HN -0.249 8.076 8.370 -0.075 0.000 0.517 288 F N -0.642 119.290 119.950 -0.030 0.000 2.639 288 F HA 0.626 5.236 4.527 -0.050 -0.112 0.339 288 F C -2.590 173.170 175.800 -0.066 0.000 1.071 288 F CA -3.008 54.972 58.000 -0.033 0.000 0.994 288 F CB 2.973 41.972 39.000 -0.003 0.000 1.341 288 F HN -0.818 7.759 8.300 0.461 0.000 0.498 289 K N -0.232 119.875 120.400 -0.489 0.000 2.604 289 K HA 0.521 4.395 4.320 -0.742 0.000 0.247 289 K C -2.653 173.760 176.600 -0.311 0.000 0.956 289 K CA -2.976 52.929 56.287 -0.638 0.000 0.896 289 K CB 2.447 34.430 32.500 -0.862 0.000 1.131 289 K HN 0.306 8.480 8.250 -0.127 0.000 0.440 290 P HA 0.053 4.587 4.420 0.191 0.000 0.267 290 P C -2.456 174.999 177.300 0.259 0.000 1.209 290 P CA -1.358 61.790 63.100 0.080 0.000 0.763 290 P CB -0.352 31.359 31.700 0.018 0.000 0.816 291 P HA -0.087 4.522 4.420 0.315 0.000 0.263 291 P C 1.685 179.095 177.300 0.183 0.000 1.175 291 P CA 0.354 63.597 63.100 0.239 0.000 0.761 291 P CB 0.664 32.446 31.700 0.137 0.000 0.794 292 R N 4.700 125.309 120.500 0.181 0.000 2.285 292 R HA -0.139 4.097 4.340 -0.174 0.000 0.213 292 R C 0.660 176.922 176.300 -0.063 0.000 1.068 292 R CA 1.380 57.441 56.100 -0.065 0.000 1.004 292 R CB -0.284 29.924 30.300 -0.153 0.000 0.873 292 R HN 0.385 nan 8.270 nan 0.000 0.467 293 T N -1.556 112.998 114.554 -0.001 0.000 3.148 293 T HA 0.059 4.389 4.350 -0.032 0.000 0.253 293 T C 0.011 174.695 174.700 -0.027 0.000 1.134 293 T CA -0.730 61.361 62.100 -0.014 0.000 1.051 293 T CB 0.327 69.203 68.868 0.013 0.000 0.959 293 T HN -0.231 nan 8.240 nan 0.000 0.525 294 E N 2.391 122.567 120.200 -0.040 0.000 2.221 294 E HA 0.201 4.529 4.350 -0.037 0.000 0.268 294 E C -1.814 174.715 176.600 -0.118 0.000 0.933 294 E CA -0.881 55.488 56.400 -0.050 0.000 0.809 294 E CB 2.448 32.138 29.700 -0.017 0.000 1.190 294 E HN -0.490 7.761 8.360 -0.039 0.085 0.406 295 D N -0.939 119.396 120.400 -0.107 0.000 2.539 295 D HA 0.021 4.501 4.640 -0.267 0.000 0.276 295 D C 1.091 177.292 176.300 -0.166 0.000 1.206 295 D CA -1.718 52.180 54.000 -0.170 0.000 1.081 295 D CB 0.741 41.492 40.800 -0.082 0.000 1.142 295 D HN -0.051 8.281 8.370 -0.063 0.000 0.595 296 F N -1.294 118.583 119.950 -0.122 0.000 2.154 296 F HA -0.394 3.905 4.527 -0.381 0.000 0.301 296 F C 2.246 177.910 175.800 -0.227 0.000 1.087 296 F CA 2.578 60.445 58.000 -0.221 0.000 1.274 296 F CB -0.508 38.469 39.000 -0.039 0.000 1.009 296 F HN 0.153 8.370 8.300 -0.139 0.000 0.485 297 D N 0.105 120.613 120.400 0.180 0.000 2.144 297 D HA -0.151 4.706 4.640 0.361 0.000 0.199 297 D C 2.612 178.983 176.300 0.118 0.000 0.984 297 D CA 1.830 55.956 54.000 0.210 0.000 0.834 297 D CB -0.662 40.235 40.800 0.162 0.000 0.955 297 D HN 0.201 nan 8.370 nan 0.000 0.465 298 G N -0.411 108.408 108.800 0.031 0.000 2.421 298 G HA2 -0.153 3.809 3.960 0.004 0.000 0.217 298 G HA3 -0.153 3.835 3.960 0.047 0.000 0.217 298 G C 0.410 175.306 174.900 -0.006 0.000 1.143 298 G CA 1.182 46.293 45.100 0.019 0.000 0.784 298 G HN -0.439 7.992 8.290 0.013 -0.133 0.541 299 V N -0.084 119.749 119.914 -0.135 0.000 2.295 299 V HA -0.434 3.643 4.120 -0.071 0.000 0.246 299 V C 1.659 177.679 176.094 -0.125 0.000 1.049 299 V CA 3.577 65.746 62.300 -0.219 0.000 1.024 299 V CB 0.082 31.597 31.823 -0.513 0.000 0.648 299 V HN -0.581 7.500 8.190 -0.181 0.000 0.447 300 W N -2.783 118.576 121.300 0.098 0.000 2.388 300 W HA -0.381 4.276 4.660 -0.004 0.000 0.294 300 W C 1.695 178.212 176.519 -0.003 0.000 1.212 300 W CA 2.385 59.744 57.345 0.025 0.000 1.271 300 W CB -0.464 29.005 29.460 0.014 0.000 1.126 300 W HN -0.732 7.260 8.180 -0.314 0.000 0.535 301 A N -1.021 121.926 122.820 0.212 0.000 1.969 301 A HA -0.347 4.037 4.320 0.107 0.000 0.218 301 A C 2.423 180.038 177.584 0.053 0.000 1.169 301 A CA 2.784 54.888 52.037 0.112 0.000 0.635 301 A CB -1.351 17.703 19.000 0.090 0.000 0.810 301 A HN -0.142 8.127 8.150 0.197 0.000 0.445 302 S N 0.624 116.368 115.700 0.073 0.000 2.355 302 S HA -0.123 4.352 4.470 0.009 0.000 0.222 302 S C 1.965 176.476 174.600 -0.148 0.000 1.031 302 S CA 1.368 59.598 58.200 0.050 0.000 0.993 302 S CB -0.152 63.209 63.200 0.267 0.000 0.859 302 S HN -0.041 nan 8.310 nan 0.000 0.453 303 A N 1.567 124.338 122.820 -0.081 0.000 1.902 303 A HA -0.215 3.740 4.320 -0.609 0.000 0.217 303 A C 1.069 178.495 177.584 -0.264 0.000 1.181 303 A CA 2.192 54.046 52.037 -0.305 0.000 0.623 303 A CB -0.275 18.574 19.000 -0.251 0.000 0.818 303 A HN -0.453 7.753 8.150 0.092 0.000 0.443 304 A N -2.569 120.176 122.820 -0.126 0.000 1.933 304 A HA -0.344 3.926 4.320 -0.083 0.000 0.218 304 A C 1.783 179.291 177.584 -0.127 0.000 1.175 304 A CA 2.799 54.785 52.037 -0.086 0.000 0.628 304 A CB -0.552 18.441 19.000 -0.012 0.000 0.814 304 A HN -0.380 7.740 8.150 -0.050 0.000 0.444 305 G N -3.517 105.196 108.800 -0.145 0.000 2.448 305 G HA2 -0.256 3.621 3.960 -0.138 0.000 0.219 305 G HA3 -0.256 3.642 3.960 -0.104 0.000 0.219 305 G C 0.846 175.602 174.900 -0.240 0.000 1.127 305 G CA 1.942 46.951 45.100 -0.152 0.000 0.766 305 G HN -0.199 7.910 8.290 -0.130 0.102 0.552 306 C N 2.001 121.050 119.300 -0.418 0.000 2.453 306 C HA -0.171 4.018 4.460 -0.452 0.000 0.277 306 C C 1.609 176.212 174.990 -0.646 0.000 1.262 306 C CA 3.418 62.031 59.018 -0.674 0.000 1.718 306 C CB -0.271 26.674 27.740 -1.325 0.000 2.031 306 C HN -0.665 7.162 8.230 -0.438 0.140 0.480 307 M N -0.893 118.334 119.600 -0.622 0.000 2.175 307 M HA -0.425 3.337 4.480 -1.197 0.000 0.264 307 M C 1.911 178.067 176.300 -0.241 0.000 1.063 307 M CA 4.036 58.907 55.300 -0.714 0.000 1.119 307 M CB -0.501 31.768 32.600 -0.553 0.000 1.377 307 M HN -0.779 7.214 8.290 -0.495 0.000 0.415 308 R N -0.348 120.084 120.500 -0.113 0.000 2.075 308 R HA -0.364 4.017 4.340 0.069 0.000 0.232 308 R C 1.938 178.212 176.300 -0.043 0.000 1.126 308 R CA 3.772 59.867 56.100 -0.009 0.000 0.963 308 R CB -0.135 30.162 30.300 -0.005 0.000 0.858 308 R HN -0.247 7.932 8.270 -0.152 0.000 0.435 309 N N -1.095 117.581 118.700 -0.040 0.000 2.120 309 N HA -0.291 4.379 4.740 -0.116 0.000 0.188 309 N C 2.029 177.611 175.510 0.119 0.000 1.024 309 N CA 3.033 56.061 53.050 -0.035 0.000 0.852 309 N CB -0.426 38.009 38.487 -0.088 0.000 1.003 309 N HN -0.424 7.916 8.380 -0.068 0.000 0.424 310 Y N 1.677 122.119 120.300 0.237 0.000 2.145 310 Y HA -0.363 4.550 4.550 0.606 0.000 0.286 310 Y C 1.795 177.849 175.900 0.258 0.000 1.145 310 Y CA 4.135 62.488 58.100 0.421 0.000 1.148 310 Y CB 0.229 38.965 38.460 0.461 0.000 0.981 310 Y HN -0.722 7.807 8.280 0.415 0.000 0.507 311 L N -2.238 119.228 121.223 0.405 0.000 2.042 311 L HA -0.501 4.086 4.340 0.412 0.000 0.210 311 L C 2.324 179.183 176.870 -0.018 0.000 1.076 311 L CA 3.307 58.326 54.840 0.298 0.000 0.749 311 L CB -0.306 41.977 42.059 0.373 0.000 0.893 311 L HN -0.571 7.900 8.230 0.402 0.000 0.432 312 I N -1.908 118.459 120.570 -0.338 0.000 2.179 312 I HA -0.486 3.144 4.170 -0.899 0.000 0.242 312 I C 1.460 177.459 176.117 -0.196 0.000 1.088 312 I CA 3.713 64.665 61.300 -0.580 0.000 1.357 312 I CB -0.025 37.600 38.000 -0.625 0.000 1.051 312 I HN -0.527 7.513 8.210 -0.283 0.000 0.409 313 L N -3.035 118.114 121.223 -0.124 0.000 2.083 313 L HA -0.430 3.922 4.340 0.020 0.000 0.209 313 L C 1.845 178.673 176.870 -0.070 0.000 1.083 313 L CA 2.571 57.381 54.840 -0.051 0.000 0.752 313 L CB -0.343 41.673 42.059 -0.071 0.000 0.899 313 L HN -0.443 7.714 8.230 -0.122 0.000 0.433 314 K N -1.205 119.118 120.400 -0.128 0.000 2.063 314 K HA -0.419 3.804 4.320 -0.161 0.000 0.208 314 K C 1.445 178.057 176.600 0.020 0.000 1.048 314 K CA 3.530 59.761 56.287 -0.094 0.000 0.928 314 K CB -0.229 32.256 32.500 -0.025 0.000 0.713 314 K HN -0.100 8.065 8.250 -0.141 0.000 0.442 315 E N -1.085 119.161 120.200 0.075 0.000 2.047 315 E HA -0.251 4.179 4.350 0.135 0.000 0.191 315 E C 2.803 179.483 176.600 0.133 0.000 0.987 315 E CA 2.842 59.323 56.400 0.136 0.000 0.799 315 E CB -0.090 29.753 29.700 0.238 0.000 0.752 315 E HN -0.455 7.931 8.360 0.060 0.010 0.449 316 R N -0.556 120.026 120.500 0.136 0.000 2.096 316 R HA -0.143 4.319 4.340 0.204 0.000 0.235 316 R C 2.508 178.983 176.300 0.291 0.000 1.127 316 R CA 1.185 57.408 56.100 0.205 0.000 0.968 316 R CB -0.958 29.443 30.300 0.168 0.000 0.861 316 R HN 0.166 nan 8.270 nan 0.000 0.440 317 A N 0.206 123.144 122.820 0.197 0.000 1.930 317 A HA -0.127 4.259 4.320 0.111 0.000 0.217 317 A C 2.430 180.074 177.584 0.100 0.000 1.175 317 A CA 1.800 53.856 52.037 0.032 0.000 0.627 317 A CB -0.341 18.465 19.000 -0.325 0.000 0.815 317 A HN 0.110 8.327 8.150 0.113 0.000 0.443 318 A N 0.763 123.622 122.820 0.065 0.000 1.902 318 A HA -0.260 4.083 4.320 0.039 0.000 0.217 318 A C 1.954 179.560 177.584 0.037 0.000 1.181 318 A CA 1.539 53.606 52.037 0.051 0.000 0.623 318 A CB -0.492 18.541 19.000 0.055 0.000 0.818 318 A HN 0.222 nan 8.150 nan 0.000 0.443 319 A N -1.681 121.174 122.820 0.058 0.000 1.969 319 A HA -0.240 4.096 4.320 0.027 0.000 0.218 319 A C 1.517 178.964 177.584 -0.227 0.000 1.169 319 A CA 2.260 54.307 52.037 0.017 0.000 0.635 319 A CB -0.209 18.877 19.000 0.144 0.000 0.810 319 A HN -0.255 7.952 8.150 0.094 0.000 0.445 320 F N -1.821 117.878 119.950 -0.419 0.000 2.259 320 F HA -0.220 3.512 4.527 -1.326 0.000 0.298 320 F C 0.669 176.334 175.800 -0.225 0.000 1.088 320 F CA 2.227 59.872 58.000 -0.593 0.000 1.358 320 F CB 0.535 39.441 39.000 -0.156 0.000 1.040 320 F HN -0.652 7.568 8.300 0.059 0.114 0.505 321 R N -2.944 117.400 120.500 -0.261 0.000 2.173 321 R HA -0.121 3.936 4.340 -0.472 0.000 0.208 321 R C 0.889 177.073 176.300 -0.193 0.000 1.035 321 R CA 0.376 56.311 56.100 -0.274 0.000 1.004 321 R CB 0.081 30.345 30.300 -0.060 0.000 0.917 321 R HN -0.536 7.702 8.270 -0.053 0.000 0.462 322 A N -2.693 120.048 122.820 -0.132 0.000 2.178 322 A HA 0.051 4.334 4.320 -0.061 0.000 0.211 322 A C -0.088 177.457 177.584 -0.066 0.000 1.157 322 A CA 0.116 52.111 52.037 -0.071 0.000 0.780 322 A CB 0.513 19.498 19.000 -0.024 0.000 0.828 322 A HN -0.611 7.466 8.150 -0.123 0.000 0.476 323 D N -0.045 120.288 120.400 -0.111 0.000 2.358 323 D HA 0.161 4.817 4.640 0.026 0.000 0.258 323 D C -1.074 175.205 176.300 -0.036 0.000 1.223 323 D CA -2.496 51.489 54.000 -0.026 0.000 0.886 323 D CB 0.623 41.457 40.800 0.056 0.000 1.120 323 D HN -0.624 7.582 8.370 -0.198 0.045 0.482 324 P HA -0.250 4.160 4.420 -0.016 0.000 0.215 324 P C 0.246 177.548 177.300 0.003 0.000 1.157 324 P CA 1.892 64.990 63.100 -0.003 0.000 0.874 324 P CB 0.417 32.124 31.700 0.012 0.000 0.790 325 E N -4.416 115.802 120.200 0.031 0.000 2.171 325 E HA -0.357 4.016 4.350 0.038 0.000 0.197 325 E C 1.233 177.856 176.600 0.038 0.000 0.997 325 E CA 2.297 58.725 56.400 0.046 0.000 0.810 325 E CB 0.030 29.774 29.700 0.073 0.000 0.738 325 E HN -0.535 8.047 8.360 0.045 -0.195 0.467 326 V N -0.718 119.196 119.914 0.000 0.000 2.407 326 V HA -0.329 3.793 4.120 0.004 0.000 0.245 326 V C 2.723 178.758 176.094 -0.097 0.000 1.041 326 V CA 3.005 65.256 62.300 -0.082 0.000 1.040 326 V CB -0.643 30.962 31.823 -0.363 0.000 0.671 326 V HN -0.469 7.595 8.190 -0.003 0.124 0.455 327 Q N 0.416 120.160 119.800 -0.094 0.000 2.124 327 Q HA -0.178 4.116 4.340 -0.078 0.000 0.202 327 Q C 2.561 178.551 176.000 -0.016 0.000 0.977 327 Q CA 2.133 57.899 55.803 -0.062 0.000 0.850 327 Q CB -0.513 28.195 28.738 -0.050 0.000 0.901 327 Q HN 0.469 nan 8.270 nan 0.000 0.429 328 E N 0.545 120.744 120.200 -0.002 0.000 2.106 328 E HA -0.125 4.233 4.350 0.013 0.000 0.192 328 E C 2.718 179.336 176.600 0.030 0.000 0.984 328 E CA 0.536 56.945 56.400 0.015 0.000 0.806 328 E CB 0.075 29.786 29.700 0.018 0.000 0.750 328 E HN 0.465 nan 8.360 nan 0.000 0.458 329 A N 1.172 124.017 122.820 0.042 0.000 1.898 329 A HA -0.143 4.217 4.320 0.068 0.000 0.216 329 A C 2.201 179.837 177.584 0.087 0.000 1.181 329 A CA 1.490 53.571 52.037 0.073 0.000 0.620 329 A CB -0.336 18.729 19.000 0.108 0.000 0.819 329 A HN 0.154 nan 8.150 nan 0.000 0.442 330 L N -2.001 119.265 121.223 0.071 0.000 2.079 330 L HA -0.471 3.945 4.340 0.126 0.000 0.210 330 L C 2.040 178.954 176.870 0.073 0.000 1.081 330 L CA 2.297 57.188 54.840 0.085 0.000 0.752 330 L CB -0.133 41.954 42.059 0.046 0.000 0.896 330 L HN -0.119 8.137 8.230 0.043 0.000 0.433 331 R N -2.026 118.502 120.500 0.047 0.000 2.090 331 R HA -0.279 4.085 4.340 0.039 0.000 0.228 331 R C 2.448 178.770 176.300 0.037 0.000 1.110 331 R CA 2.930 59.052 56.100 0.038 0.000 0.973 331 R CB -0.162 30.153 30.300 0.024 0.000 0.869 331 R HN -0.683 7.599 8.270 0.038 0.010 0.440 332 A N -1.590 121.252 122.820 0.038 0.000 2.015 332 A HA -0.132 4.195 4.320 0.012 0.000 0.219 332 A C 1.927 179.517 177.584 0.011 0.000 1.163 332 A CA 2.728 54.778 52.037 0.022 0.000 0.646 332 A CB -0.657 18.357 19.000 0.023 0.000 0.806 332 A HN -0.381 7.703 8.150 0.043 0.092 0.448 333 S N -4.128 111.604 115.700 0.053 0.000 2.558 333 S HA 0.214 4.823 4.470 -0.056 -0.173 0.217 333 S C -0.179 174.479 174.600 0.096 0.000 0.975 333 S CA 0.055 58.296 58.200 0.068 0.000 0.912 333 S CB 0.157 63.522 63.200 0.275 0.000 0.776 333 S HN -0.546 7.686 8.310 0.080 0.126 0.526 334 R N -4.109 116.434 120.500 0.072 0.000 3.854 334 R HA -0.372 4.199 4.340 0.048 -0.203 0.352 334 R C 0.458 176.806 176.300 0.081 0.000 1.156 334 R CA 0.409 56.548 56.100 0.065 0.000 0.917 334 R CB -2.989 27.342 30.300 0.052 0.000 1.471 334 R HN -0.403 7.709 8.270 0.060 0.194 0.521 335 L N -2.636 118.644 121.223 0.095 0.000 2.187 335 L HA -0.299 4.090 4.340 0.081 0.000 0.213 335 L C 0.288 177.186 176.870 0.048 0.000 1.100 335 L CA 3.092 57.979 54.840 0.078 0.000 0.765 335 L CB -1.032 41.075 42.059 0.080 0.000 0.904 335 L HN 0.013 8.275 8.230 0.105 0.030 0.437 336 D N -4.719 115.707 120.400 0.042 0.000 2.224 336 D HA -0.241 4.415 4.640 0.027 0.000 0.205 336 D C 1.751 178.067 176.300 0.028 0.000 0.965 336 D CA 2.480 56.498 54.000 0.030 0.000 0.852 336 D CB -0.656 40.160 40.800 0.026 0.000 0.947 336 D HN 0.122 8.491 8.370 0.046 0.029 0.494 337 E N -0.270 119.949 120.200 0.032 0.000 2.107 337 E HA -0.210 4.154 4.350 0.024 0.000 0.191 337 E C 2.649 179.263 176.600 0.024 0.000 0.982 337 E CA 2.024 58.441 56.400 0.028 0.000 0.809 337 E CB 0.003 29.723 29.700 0.033 0.000 0.756 337 E HN -0.605 7.662 8.360 0.038 0.116 0.459 338 L N -2.213 119.026 121.223 0.026 0.000 2.353 338 L HA -0.229 4.117 4.340 0.010 0.000 0.220 338 L C 0.137 177.010 176.870 0.005 0.000 1.133 338 L CA 1.794 56.641 54.840 0.012 0.000 0.798 338 L CB -0.156 41.908 42.059 0.009 0.000 0.922 338 L HN -0.644 7.606 8.230 0.034 0.000 0.445 339 A N -2.717 120.111 122.820 0.013 0.000 2.021 339 A HA -0.041 4.287 4.320 0.014 0.000 0.216 339 A C 0.242 177.836 177.584 0.017 0.000 1.163 339 A CA 0.550 52.596 52.037 0.016 0.000 0.676 339 A CB 0.405 19.417 19.000 0.019 0.000 0.818 339 A HN -0.762 7.236 8.150 0.018 0.162 0.453 340 R N 0.095 120.605 120.500 0.015 0.000 2.442 340 R HA 0.178 4.527 4.340 0.015 0.000 0.291 340 R C -2.463 173.843 176.300 0.011 0.000 1.069 340 R CA -2.383 53.726 56.100 0.014 0.000 1.022 340 R CB -0.701 29.607 30.300 0.013 0.000 0.976 340 R HN -0.644 7.538 8.270 0.016 0.098 0.443 341 P HA -0.015 4.412 4.420 0.012 0.000 0.267 341 P C 1.184 178.484 177.300 0.001 0.000 1.195 341 P CA 0.092 63.197 63.100 0.009 0.000 0.773 341 P CB 0.499 32.205 31.700 0.011 0.000 0.837 342 T N 3.034 117.586 114.554 -0.004 0.000 2.732 342 T HA -0.075 4.265 4.350 -0.016 0.000 0.261 342 T C 0.046 174.736 174.700 -0.018 0.000 1.040 342 T CA 1.115 63.206 62.100 -0.014 0.000 1.145 342 T CB 0.339 69.195 68.868 -0.021 0.000 0.866 342 T HN 0.023 nan 8.240 nan 0.000 0.427 343 A N 1.171 123.983 122.820 -0.014 0.000 3.297 343 A HA 0.397 4.776 4.320 -0.016 -0.069 0.304 343 A C -0.555 177.024 177.584 -0.007 0.000 0.963 343 A CA -0.531 51.498 52.037 -0.015 0.000 0.935 343 A CB 0.019 19.007 19.000 -0.021 0.000 1.093 343 A HN -0.297 7.847 8.150 -0.010 0.000 0.480 344 A N 0.042 122.860 122.820 -0.003 0.000 2.019 344 A HA -0.250 4.071 4.320 0.002 0.000 0.219 344 A C 0.341 177.924 177.584 -0.001 0.000 1.164 344 A CA 2.576 54.614 52.037 0.001 0.000 0.644 344 A CB -0.282 18.721 19.000 0.003 0.000 0.805 344 A HN 0.291 8.439 8.150 -0.003 0.000 0.449 345 D N -5.998 114.400 120.400 -0.003 0.000 2.350 345 D HA -0.154 4.485 4.640 -0.002 0.000 0.216 345 D C 0.841 177.138 176.300 -0.005 0.000 0.968 345 D CA -0.297 53.701 54.000 -0.003 0.000 0.894 345 D CB -0.683 40.114 40.800 -0.004 0.000 0.909 345 D HN -0.260 8.073 8.370 -0.004 0.034 0.520 346 G N -1.218 107.578 108.800 -0.007 0.000 2.592 346 G HA2 -0.346 3.610 3.960 -0.007 0.000 0.684 346 G HA3 -0.346 3.610 3.960 -0.007 0.000 0.684 346 G C -1.650 173.242 174.900 -0.013 0.000 1.291 346 G CA -0.691 44.404 45.100 -0.008 0.000 0.891 346 G HN -0.636 7.461 8.290 -0.007 0.189 0.544 347 L N -0.545 120.669 121.223 -0.014 0.000 2.049 347 L HA -0.066 4.260 4.340 -0.023 0.000 0.203 347 L C 1.338 178.195 176.870 -0.021 0.000 1.074 347 L CA 3.151 57.979 54.840 -0.020 0.000 0.749 347 L CB 0.126 42.173 42.059 -0.020 0.000 0.907 347 L HN -0.036 8.187 8.230 -0.012 0.000 0.439 348 Q N -1.146 118.645 119.800 -0.016 0.000 2.112 348 Q HA -0.338 3.992 4.340 -0.017 0.000 0.206 348 Q C 1.864 177.856 176.000 -0.012 0.000 0.987 348 Q CA 3.272 59.066 55.803 -0.014 0.000 0.858 348 Q CB -1.061 27.671 28.738 -0.010 0.000 0.905 348 Q HN 0.428 8.690 8.270 -0.014 0.000 0.420 349 A N -0.581 122.232 122.820 -0.010 0.000 1.883 349 A HA -0.331 3.986 4.320 -0.005 0.000 0.217 349 A C 2.214 179.792 177.584 -0.011 0.000 1.186 349 A CA 2.357 54.390 52.037 -0.008 0.000 0.624 349 A CB -1.109 17.887 19.000 -0.006 0.000 0.822 349 A HN 0.358 8.502 8.150 -0.010 0.000 0.444 350 L N -0.443 120.769 121.223 -0.018 0.000 2.131 350 L HA -0.199 4.127 4.340 -0.024 0.000 0.210 350 L C 2.060 178.912 176.870 -0.029 0.000 1.092 350 L CA 1.194 56.019 54.840 -0.026 0.000 0.759 350 L CB -0.282 41.756 42.059 -0.035 0.000 0.903 350 L HN -0.183 nan 8.230 nan 0.000 0.435 351 L N -2.473 118.732 121.223 -0.030 0.000 2.156 351 L HA -0.287 4.023 4.340 -0.051 0.000 0.208 351 L C 1.011 177.871 176.870 -0.016 0.000 1.095 351 L CA 1.657 56.476 54.840 -0.035 0.000 0.770 351 L CB 0.177 42.214 42.059 -0.036 0.000 0.914 351 L HN -0.223 7.883 8.230 -0.027 0.108 0.439 352 D N -5.217 115.180 120.400 -0.006 0.000 2.339 352 D HA 0.032 4.678 4.640 0.009 0.000 0.217 352 D C -0.949 175.361 176.300 0.017 0.000 1.050 352 D CA 0.362 54.366 54.000 0.006 0.000 0.856 352 D CB 0.682 41.485 40.800 0.004 0.000 0.922 352 D HN -0.687 7.581 8.370 -0.008 0.097 0.518 353 D N 0.693 121.102 120.400 0.015 0.000 2.365 353 D HA 0.045 4.700 4.640 0.025 0.000 0.237 353 D C -0.230 176.102 176.300 0.052 0.000 1.190 353 D CA -0.485 53.530 54.000 0.025 0.000 0.867 353 D CB 0.324 41.130 40.800 0.009 0.000 1.050 353 D HN -0.855 7.342 8.370 0.006 0.177 0.491 354 R N 4.514 125.052 120.500 0.062 0.000 2.189 354 R HA -0.232 4.509 4.340 0.114 -0.333 0.218 354 R C 2.714 179.077 176.300 0.105 0.000 1.074 354 R CA 1.790 57.943 56.100 0.089 0.000 0.991 354 R CB -0.198 30.145 30.300 0.071 0.000 0.883 354 R HN 0.221 8.521 8.270 0.050 0.000 0.457 355 S N 1.507 117.259 115.700 0.087 0.000 2.515 355 S HA 0.008 4.561 4.470 0.139 0.000 0.231 355 S C 2.445 177.114 174.600 0.116 0.000 0.987 355 S CA 1.345 59.614 58.200 0.115 0.000 0.936 355 S CB -0.246 63.006 63.200 0.087 0.000 0.766 355 S HN 0.112 nan 8.310 nan 0.000 0.528 356 A N 0.440 123.288 122.820 0.045 0.000 2.147 356 A HA 0.219 4.371 4.320 -0.280 0.000 0.211 356 A C 1.246 178.848 177.584 0.030 0.000 1.160 356 A CA 0.038 52.020 52.037 -0.091 0.000 0.781 356 A CB 0.003 18.961 19.000 -0.070 0.000 0.842 356 A HN 0.093 nan 8.150 nan 0.000 0.475 357 F N 0.028 119.981 119.950 0.005 0.000 1.772 357 F HA 0.102 4.686 4.527 0.095 0.000 0.237 357 F C 2.262 178.127 175.800 0.109 0.000 1.224 357 F CA -0.319 57.718 58.000 0.062 0.000 1.315 357 F CB -0.166 38.841 39.000 0.010 0.000 1.872 357 F HN -0.292 nan 8.300 nan 0.000 0.307 358 E N 1.527 121.846 120.200 0.198 0.000 2.086 358 E HA -0.243 4.117 4.350 0.016 0.000 0.200 358 E C 0.862 177.469 176.600 0.011 0.000 1.012 358 E CA 1.901 58.345 56.400 0.073 0.000 0.812 358 E CB 0.115 29.889 29.700 0.124 0.000 0.743 358 E HN 0.511 nan 8.360 nan 0.000 0.453 359 E N -2.252 117.987 120.200 0.066 0.000 2.815 359 E HA 0.115 4.473 4.350 0.012 0.000 0.211 359 E C -1.576 175.089 176.600 0.110 0.000 1.004 359 E CA -0.942 55.490 56.400 0.053 0.000 1.173 359 E CB -0.052 29.678 29.700 0.050 0.000 1.163 359 E HN 0.140 8.445 8.360 0.104 0.118 0.449 360 F N 2.163 122.074 119.950 -0.066 0.000 2.391 360 F HA -0.021 4.490 4.527 -0.025 0.000 0.359 360 F C -0.685 175.074 175.800 -0.068 0.000 1.122 360 F CA -0.650 57.321 58.000 -0.049 0.000 1.120 360 F CB 0.848 39.828 39.000 -0.033 0.000 1.142 360 F HN -0.751 7.582 8.300 0.151 0.058 0.483 361 D N 7.757 127.824 120.400 -0.555 0.000 2.470 361 D HA 0.060 4.490 4.640 -0.350 0.000 0.226 361 D C 2.281 178.110 176.300 -0.785 0.000 1.196 361 D CA -0.937 52.762 54.000 -0.501 0.000 0.979 361 D CB -0.191 40.431 40.800 -0.296 0.000 1.059 361 D HN 0.365 8.461 8.370 -0.456 0.000 0.515 362 V N 5.467 124.988 119.914 -0.656 0.000 2.515 362 V HA -0.130 3.580 4.120 -0.684 0.000 0.250 362 V C 1.059 176.994 176.094 -0.266 0.000 1.058 362 V CA 2.012 64.027 62.300 -0.474 0.000 1.064 362 V CB 0.104 31.833 31.823 -0.157 0.000 0.675 362 V HN 0.116 nan 8.190 nan 0.000 0.461 363 D N 2.163 122.434 120.400 -0.215 0.000 2.104 363 D HA -0.287 4.289 4.640 -0.107 0.000 0.194 363 D C 1.204 177.424 176.300 -0.134 0.000 0.994 363 D CA 2.895 56.812 54.000 -0.138 0.000 0.830 363 D CB -0.224 40.508 40.800 -0.113 0.000 0.959 363 D HN -0.060 8.234 8.370 -0.227 -0.061 0.452 364 A N -1.844 120.875 122.820 -0.169 0.000 1.968 364 A HA -0.155 4.104 4.320 -0.101 0.000 0.217 364 A C 1.083 178.590 177.584 -0.127 0.000 1.169 364 A CA 2.223 54.180 52.037 -0.134 0.000 0.638 364 A CB -0.042 18.878 19.000 -0.133 0.000 0.812 364 A HN -0.534 7.755 8.150 -0.208 -0.263 0.446 365 A N -2.072 120.636 122.820 -0.187 0.000 1.898 365 A HA -0.220 4.061 4.320 -0.065 0.000 0.216 365 A C 2.286 179.842 177.584 -0.048 0.000 1.181 365 A CA 2.517 54.490 52.037 -0.107 0.000 0.620 365 A CB -0.517 18.407 19.000 -0.127 0.000 0.819 365 A HN -0.587 7.316 8.150 -0.281 0.079 0.442 366 A N -0.737 122.047 122.820 -0.060 0.000 2.015 366 A HA -0.269 4.045 4.320 -0.009 0.000 0.219 366 A C 1.717 179.279 177.584 -0.036 0.000 1.163 366 A CA 1.667 53.685 52.037 -0.030 0.000 0.646 366 A CB -0.478 18.503 19.000 -0.030 0.000 0.806 366 A HN -0.264 7.829 8.150 -0.094 0.000 0.448 367 A N -1.574 121.216 122.820 -0.049 0.000 2.119 367 A HA 0.018 4.315 4.320 -0.039 0.000 0.217 367 A C 0.290 177.846 177.584 -0.046 0.000 1.153 367 A CA -0.344 51.666 52.037 -0.045 0.000 0.692 367 A CB -0.211 18.760 19.000 -0.048 0.000 0.799 367 A HN -0.094 nan 8.150 nan 0.000 0.458 368 R N 0.891 121.362 120.500 -0.048 0.000 2.421 368 R HA -0.094 4.215 4.340 -0.051 0.000 0.305 368 R C 0.812 177.066 176.300 -0.076 0.000 1.039 368 R CA -0.407 55.661 56.100 -0.054 0.000 1.003 368 R CB 0.434 30.707 30.300 -0.044 0.000 0.959 368 R HN -0.356 7.842 8.270 -0.046 0.045 0.427 369 G N 4.283 113.031 108.800 -0.087 0.000 2.432 369 G HA2 0.153 4.050 3.960 -0.104 0.000 0.257 369 G HA3 0.153 4.042 3.960 -0.119 0.000 0.257 369 G C 1.280 176.052 174.900 -0.214 0.000 1.238 369 G CA -0.738 44.288 45.100 -0.124 0.000 0.838 369 G HN 0.200 nan 8.290 nan 0.000 0.547 370 M N 3.967 123.346 119.600 -0.369 0.000 2.447 370 M HA 0.049 4.165 4.480 -0.606 0.000 0.264 370 M C 0.985 176.874 176.300 -0.684 0.000 1.095 370 M CA -1.623 53.217 55.300 -0.767 0.000 1.125 370 M CB -0.681 30.977 32.600 -1.571 0.000 1.389 370 M HN 0.352 nan 8.290 nan 0.000 0.459 371 A N -2.718 119.893 122.820 -0.350 0.000 2.822 371 A HA -0.283 3.998 4.320 -0.066 0.000 0.287 371 A C -0.644 176.946 177.584 0.010 0.000 1.479 371 A CA 1.154 53.116 52.037 -0.124 0.000 0.779 371 A CB -1.779 17.181 19.000 -0.066 0.000 1.022 371 A HN 0.022 7.966 8.150 -0.289 0.033 0.532 372 F N -2.504 117.474 119.950 0.046 0.000 2.367 372 F HA -0.168 4.399 4.527 0.066 0.000 0.298 372 F C 2.260 178.102 175.800 0.071 0.000 1.094 372 F CA -0.130 57.904 58.000 0.056 0.000 1.409 372 F CB -0.601 38.422 39.000 0.038 0.000 1.064 372 F HN -0.136 8.071 8.300 -0.126 0.018 0.528 373 E N 1.412 121.750 120.200 0.229 0.000 2.072 373 E HA -0.133 4.315 4.350 0.164 0.000 0.191 373 E C 2.934 179.621 176.600 0.144 0.000 0.985 373 E CA 1.517 58.012 56.400 0.158 0.000 0.801 373 E CB -0.772 28.992 29.700 0.105 0.000 0.750 373 E HN 0.551 nan 8.360 nan 0.000 0.452 374 R N 1.129 121.707 120.500 0.130 0.000 2.081 374 R HA -0.113 4.289 4.340 0.104 0.000 0.235 374 R C 2.617 179.020 176.300 0.171 0.000 1.131 374 R CA 1.155 57.328 56.100 0.121 0.000 0.960 374 R CB -0.170 30.186 30.300 0.093 0.000 0.856 374 R HN 0.092 nan 8.270 nan 0.000 0.436 375 L N 1.146 122.500 121.223 0.218 0.000 2.046 375 L HA -0.122 4.393 4.340 0.292 0.000 0.208 375 L C 1.474 178.543 176.870 0.332 0.000 1.077 375 L CA 1.402 56.418 54.840 0.293 0.000 0.747 375 L CB -0.314 41.940 42.059 0.324 0.000 0.896 375 L HN -0.137 nan 8.230 nan 0.000 0.432 376 D N -1.527 119.033 120.400 0.267 0.000 2.144 376 D HA -0.321 4.507 4.640 0.313 0.000 0.200 376 D C 1.756 178.157 176.300 0.167 0.000 0.978 376 D CA 2.611 56.757 54.000 0.243 0.000 0.833 376 D CB 0.378 41.292 40.800 0.189 0.000 0.961 376 D HN -0.325 8.193 8.370 0.245 0.000 0.470 377 Q N -0.137 119.747 119.800 0.139 0.000 2.167 377 Q HA -0.208 4.163 4.340 0.053 0.000 0.202 377 Q C 2.304 178.362 176.000 0.097 0.000 0.970 377 Q CA 2.471 58.325 55.803 0.085 0.000 0.855 377 Q CB -0.458 28.321 28.738 0.069 0.000 0.911 377 Q HN -0.438 7.922 8.270 0.149 0.000 0.438 378 L N -2.126 119.208 121.223 0.185 0.000 2.141 378 L HA -0.292 4.160 4.340 0.187 0.000 0.209 378 L C 1.999 179.091 176.870 0.371 0.000 1.094 378 L CA 2.661 57.665 54.840 0.273 0.000 0.763 378 L CB -0.503 41.765 42.059 0.349 0.000 0.908 378 L HN -0.348 7.910 8.230 0.209 0.097 0.437 379 A N -1.384 121.584 122.820 0.247 0.000 1.930 379 A HA -0.298 3.819 4.320 -0.338 0.000 0.215 379 A C 1.436 178.793 177.584 -0.379 0.000 1.176 379 A CA 2.695 54.599 52.037 -0.222 0.000 0.632 379 A CB -0.506 18.295 19.000 -0.331 0.000 0.819 379 A HN -0.389 7.798 8.150 0.264 0.121 0.445 380 M N -0.843 118.638 119.600 -0.198 0.000 2.132 380 M HA -0.360 3.894 4.480 -0.378 0.000 0.263 380 M C 1.366 177.544 176.300 -0.203 0.000 1.065 380 M CA 3.220 58.375 55.300 -0.242 0.000 1.122 380 M CB -0.110 32.419 32.600 -0.119 0.000 1.365 380 M HN -0.102 8.059 8.290 -0.071 0.086 0.411 381 D N -1.123 119.210 120.400 -0.112 0.000 2.178 381 D HA -0.292 4.275 4.640 -0.122 0.000 0.201 381 D C 2.374 178.571 176.300 -0.171 0.000 0.980 381 D CA 3.552 57.476 54.000 -0.127 0.000 0.842 381 D CB -0.593 40.141 40.800 -0.111 0.000 0.948 381 D HN -0.088 8.246 8.370 -0.061 0.000 0.472 382 H N -0.591 118.420 119.070 -0.098 0.000 2.363 382 H HA -0.132 4.421 4.556 -0.003 0.000 0.301 382 H C 2.539 177.749 175.328 -0.197 0.000 1.074 382 H CA 3.205 59.215 56.048 -0.064 0.000 1.354 382 H CB 0.438 30.254 29.762 0.090 0.000 1.397 382 H HN -0.788 7.480 8.280 0.012 0.019 0.516 383 L N 0.379 121.396 121.223 -0.344 0.000 2.017 383 L HA -0.227 3.833 4.340 -0.467 0.000 0.208 383 L C 1.003 177.719 176.870 -0.256 0.000 1.073 383 L CA 2.563 57.103 54.840 -0.500 0.000 0.745 383 L CB -0.171 41.358 42.059 -0.883 0.000 0.894 383 L HN -0.650 7.315 8.230 -0.441 0.000 0.432 384 L N -3.087 118.009 121.223 -0.213 0.000 2.627 384 L HA -0.022 4.236 4.340 -0.136 0.000 0.233 384 L C 1.371 178.188 176.870 -0.089 0.000 1.144 384 L CA 0.065 54.822 54.840 -0.139 0.000 0.892 384 L CB -0.667 41.316 42.059 -0.128 0.000 1.039 384 L HN -0.617 7.472 8.230 -0.234 0.000 0.442 385 G N 0.247 109.003 108.800 -0.074 0.000 2.321 385 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.287 385 G HA3 -0.225 3.731 3.960 -0.008 0.000 0.287 385 G C -0.758 174.110 174.900 -0.054 0.000 1.018 385 G CA -0.066 45.016 45.100 -0.031 0.000 0.855 385 G HN 0.128 nan 8.290 nan 0.000 0.507 386 A N -0.172 122.594 122.820 -0.090 0.000 3.047 386 A HA 0.161 4.442 4.320 -0.064 0.000 0.337 386 A C -1.179 176.335 177.584 -0.117 0.000 1.143 386 A CA -0.802 51.185 52.037 -0.083 0.000 0.905 386 A CB 0.319 19.276 19.000 -0.071 0.000 1.088 386 A HN -0.065 7.993 8.150 -0.108 0.027 0.488 387 R N 1.543 121.959 120.500 -0.140 0.000 2.296 387 R HA 0.051 4.274 4.340 -0.195 0.000 0.327 387 R C -0.648 175.599 176.300 -0.090 0.000 1.137 387 R CA -0.529 55.467 56.100 -0.175 0.000 1.020 387 R CB -1.205 28.927 30.300 -0.279 0.000 1.110 387 R HN 0.216 8.415 8.270 -0.117 0.000 0.499 388 G N 0.000 108.760 108.800 -0.067 0.000 5.446 388 G HA2 0.000 nan 3.960 nan 0.000 0.244 388 G HA3 0.000 3.941 3.960 -0.031 0.000 0.244 388 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 388 G HN 0.000 8.246 8.290 -0.074 0.000 0.925