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 2fvy_1_A DATA FIRST_RESID 2 DATA SEQUENCE DTRIGVTIYK YDDNFMSVVR KAIEQDAKAA PDVQLLMNDS QNDQSKQNDQ DATA SEQUENCE IDVLLAKGVK ALAINLVDPA AAGTVIEKAR GQNVPVVFFN KEPSRKALDS DATA SEQUENCE YDKAYYVGTD SKESGIIQGD LIAKHWAANQ GWDLNKDGQI QFVLLKGEPG DATA SEQUENCE HPDAEARTTY VIKELNDKGI KTEQLQLDTA MWDTAQAKDK MDAWLSGPNA DATA SEQUENCE NKIEVVIANN DAMAMGAVEA LKAHNKSSIP VFGVDALPEA LALVKSGALA DATA SEQUENCE GTVLNDANNQ AKATFDLAKN LADGKGAADG TNWKIDNKVV RVPYVGVDKD DATA SEQUENCE NLAEF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 4.649 4.640 0.015 0.000 0.175 2 D C 0.000 176.307 176.300 0.012 0.000 2.045 2 D CA 0.000 54.008 54.000 0.013 0.000 0.868 2 D CB 0.000 40.810 40.800 0.017 0.000 0.688 3 T N 5.304 119.866 114.554 0.013 0.000 2.779 3 T HA 0.024 4.375 4.350 0.001 0.000 0.296 3 T C -0.626 174.083 174.700 0.015 0.000 0.938 3 T CA 1.185 63.289 62.100 0.007 0.000 1.119 3 T CB 0.658 69.524 68.868 -0.003 0.000 0.891 3 T HN 0.110 8.360 8.240 0.017 0.000 0.526 4 R N 7.167 127.673 120.500 0.010 0.000 2.297 4 R HA 0.574 5.148 4.340 0.028 -0.217 0.308 4 R C -0.990 175.314 176.300 0.008 0.000 1.029 4 R CA -0.488 55.622 56.100 0.017 0.000 0.929 4 R CB 1.417 31.727 30.300 0.016 0.000 1.046 4 R HN 0.553 8.826 8.270 0.005 0.000 0.461 5 I N 3.728 124.310 120.570 0.020 0.000 2.389 5 I HA 0.439 4.737 4.170 -0.018 -0.139 0.288 5 I C -1.238 174.896 176.117 0.029 0.000 0.999 5 I CA -1.402 59.900 61.300 0.003 0.000 1.129 5 I CB 3.224 41.214 38.000 -0.015 0.000 1.288 5 I HN 0.205 8.438 8.210 0.039 0.000 0.444 6 G N 6.302 115.115 108.800 0.022 0.000 2.348 6 G HA2 0.677 4.854 3.960 0.052 0.000 0.312 6 G HA3 0.677 4.660 3.960 0.037 0.000 0.312 6 G C -2.522 172.417 174.900 0.064 0.000 1.126 6 G CA -1.522 43.604 45.100 0.043 0.000 0.865 6 G HN 0.343 8.637 8.290 0.007 0.000 0.474 7 V N 4.682 124.656 119.914 0.101 0.000 2.638 7 V HA 0.942 5.419 4.120 0.179 -0.250 0.306 7 V C -0.999 175.205 176.094 0.184 0.000 1.052 7 V CA -2.008 60.390 62.300 0.163 0.000 0.885 7 V CB 3.833 35.757 31.823 0.168 0.000 0.999 7 V HN 0.639 8.887 8.190 0.097 0.000 0.424 8 T N 2.761 117.439 114.554 0.207 0.000 2.807 8 T HA 0.613 5.214 4.350 0.177 -0.144 0.279 8 T C -0.629 174.182 174.700 0.185 0.000 0.993 8 T CA -2.148 60.057 62.100 0.175 0.000 0.970 8 T CB 1.998 70.939 68.868 0.122 0.000 0.950 8 T HN 0.339 8.718 8.240 0.233 0.000 0.441 9 I N 4.246 124.945 120.570 0.215 0.000 2.377 9 I HA 0.223 4.456 4.170 0.104 0.000 0.293 9 I C 0.387 176.599 176.117 0.159 0.000 0.987 9 I CA -2.927 58.483 61.300 0.184 0.000 1.185 9 I CB 1.170 39.315 38.000 0.241 0.000 1.341 9 I HN 0.556 8.914 8.210 0.248 0.000 0.455 10 Y N 6.507 126.828 120.300 0.035 0.000 2.224 10 Y HA -0.296 4.282 4.550 0.046 0.000 0.289 10 Y C -1.326 174.625 175.900 0.085 0.000 1.146 10 Y CA 2.301 60.430 58.100 0.048 0.000 1.182 10 Y CB 0.965 39.443 38.460 0.029 0.000 0.983 10 Y HN 0.388 9.175 8.280 0.270 -0.345 0.524 11 K N -4.051 115.953 120.400 -0.659 0.000 2.651 11 K HA 0.205 4.494 4.320 -0.260 -0.126 0.259 11 K C -0.313 176.159 176.600 -0.212 0.000 1.017 11 K CA -1.534 54.441 56.287 -0.520 0.000 0.897 11 K CB 1.311 33.264 32.500 -0.912 0.000 1.262 11 K HN -0.762 7.107 8.250 -0.604 0.018 0.460 12 Y N 5.632 125.812 120.300 -0.201 0.000 2.207 12 Y HA -0.431 4.052 4.550 -0.111 0.000 0.287 12 Y C 0.530 176.365 175.900 -0.108 0.000 1.156 12 Y CA 2.876 60.903 58.100 -0.122 0.000 1.182 12 Y CB 0.299 38.716 38.460 -0.071 0.000 0.979 12 Y HN 0.214 8.860 8.280 0.138 -0.283 0.521 13 D N -5.571 114.858 120.400 0.047 0.000 2.325 13 D HA -0.126 4.526 4.640 0.020 0.000 0.225 13 D C -0.637 175.658 176.300 -0.008 0.000 1.096 13 D CA -1.216 52.794 54.000 0.017 0.000 0.844 13 D CB -1.085 39.733 40.800 0.029 0.000 0.925 13 D HN -0.275 8.082 8.370 0.032 0.032 0.513 14 D N 0.700 121.067 120.400 -0.055 0.000 2.434 14 D HA -0.165 4.506 4.640 0.051 0.000 0.252 14 D C 0.841 177.157 176.300 0.026 0.000 1.185 14 D CA 0.713 54.716 54.000 0.005 0.000 0.886 14 D CB 1.349 42.156 40.800 0.011 0.000 1.148 14 D HN -0.850 7.401 8.370 -0.120 0.047 0.483 15 N N 6.753 125.492 118.700 0.065 0.000 2.069 15 N HA -0.372 4.384 4.740 0.027 0.000 0.191 15 N C 1.593 177.141 175.510 0.063 0.000 1.031 15 N CA 3.518 56.603 53.050 0.058 0.000 0.852 15 N CB -0.010 38.526 38.487 0.081 0.000 1.018 15 N HN 0.409 8.840 8.380 0.084 0.000 0.423 16 F N 0.841 120.775 119.950 -0.027 0.000 2.113 16 F HA -0.334 4.182 4.527 -0.019 0.000 0.297 16 F C 1.034 176.825 175.800 -0.014 0.000 1.103 16 F CA 3.394 61.377 58.000 -0.029 0.000 1.248 16 F CB 0.436 39.396 39.000 -0.066 0.000 0.999 16 F HN -0.939 7.643 8.300 0.222 -0.149 0.475 17 M N -2.089 117.444 119.600 -0.110 0.000 2.374 17 M HA -0.335 3.948 4.480 -0.328 0.000 0.264 17 M C 2.481 178.641 176.300 -0.233 0.000 1.067 17 M CA 0.526 55.715 55.300 -0.186 0.000 1.103 17 M CB -1.789 30.821 32.600 0.018 0.000 1.402 17 M HN 0.064 9.031 8.290 0.082 -0.628 0.444 18 S N 1.677 117.262 115.700 -0.193 0.000 2.368 18 S HA -0.227 4.086 4.470 -0.262 0.000 0.224 18 S C 1.923 176.394 174.600 -0.216 0.000 1.029 18 S CA 3.502 61.579 58.200 -0.204 0.000 0.988 18 S CB -0.744 62.383 63.200 -0.122 0.000 0.838 18 S HN 0.169 8.374 8.310 -0.135 0.023 0.462 19 V N 3.106 122.880 119.914 -0.233 0.000 2.295 19 V HA -0.349 3.676 4.120 -0.158 0.000 0.246 19 V C 1.771 177.701 176.094 -0.274 0.000 1.049 19 V CA 2.917 65.082 62.300 -0.224 0.000 1.024 19 V CB -0.866 30.834 31.823 -0.205 0.000 0.648 19 V HN -0.838 7.212 8.190 -0.234 0.000 0.447 20 V N -0.471 119.196 119.914 -0.412 0.000 2.287 20 V HA -0.557 3.397 4.120 -0.277 0.000 0.248 20 V C 1.889 177.874 176.094 -0.181 0.000 1.053 20 V CA 4.458 66.576 62.300 -0.304 0.000 1.027 20 V CB -0.435 31.205 31.823 -0.305 0.000 0.646 20 V HN -0.309 7.547 8.190 -0.557 0.000 0.447 21 R N -1.812 118.575 120.500 -0.189 0.000 2.096 21 R HA -0.264 4.011 4.340 -0.108 0.000 0.235 21 R C 2.083 178.273 176.300 -0.182 0.000 1.127 21 R CA 3.255 59.245 56.100 -0.183 0.000 0.968 21 R CB -0.594 29.502 30.300 -0.340 0.000 0.861 21 R HN 0.090 8.225 8.270 -0.226 0.000 0.440 22 K N -0.052 120.236 120.400 -0.187 0.000 2.097 22 K HA -0.146 4.249 4.320 -0.136 -0.156 0.205 22 K C 2.183 178.708 176.600 -0.125 0.000 1.050 22 K CA 3.054 59.256 56.287 -0.142 0.000 0.938 22 K CB -0.250 32.176 32.500 -0.124 0.000 0.718 22 K HN -0.497 7.630 8.250 -0.206 0.000 0.442 23 A N -0.106 122.636 122.820 -0.130 0.000 1.898 23 A HA -0.201 4.055 4.320 -0.107 0.000 0.216 23 A C 2.034 179.533 177.584 -0.141 0.000 1.181 23 A CA 2.962 54.927 52.037 -0.120 0.000 0.620 23 A CB -0.780 18.155 19.000 -0.108 0.000 0.819 23 A HN -0.493 7.570 8.150 -0.144 0.000 0.442 24 I N -1.111 119.371 120.570 -0.146 0.000 2.208 24 I HA -0.537 3.533 4.170 -0.168 0.000 0.245 24 I C 2.032 178.044 176.117 -0.175 0.000 1.097 24 I CA 4.184 65.392 61.300 -0.153 0.000 1.363 24 I CB -0.223 37.705 38.000 -0.121 0.000 1.051 24 I HN -0.011 8.114 8.210 -0.142 0.000 0.413 25 E N -0.828 119.292 120.200 -0.134 0.000 2.085 25 E HA -0.450 3.837 4.350 -0.105 0.000 0.194 25 E C 2.849 179.353 176.600 -0.161 0.000 0.994 25 E CA 3.441 59.768 56.400 -0.121 0.000 0.801 25 E CB -0.451 29.197 29.700 -0.086 0.000 0.743 25 E HN -0.380 7.906 8.360 -0.124 0.000 0.453 26 Q N -2.217 117.487 119.800 -0.161 0.000 2.123 26 Q HA -0.230 4.027 4.340 -0.139 0.000 0.199 26 Q C 2.562 178.415 176.000 -0.244 0.000 0.966 26 Q CA 2.363 58.069 55.803 -0.161 0.000 0.845 26 Q CB -0.606 28.061 28.738 -0.118 0.000 0.907 26 Q HN -0.662 7.435 8.270 -0.147 0.085 0.439 27 D N 0.209 120.405 120.400 -0.339 0.000 2.117 27 D HA -0.263 4.132 4.640 -0.408 0.000 0.197 27 D C 1.776 177.515 176.300 -0.935 0.000 0.987 27 D CA 3.239 56.895 54.000 -0.574 0.000 0.829 27 D CB -0.198 40.228 40.800 -0.623 0.000 0.961 27 D HN -0.392 7.802 8.370 -0.293 0.000 0.460 28 A N -1.131 121.162 122.820 -0.878 0.000 1.930 28 A HA -0.215 3.547 4.320 -0.930 0.000 0.217 28 A C 2.421 179.841 177.584 -0.274 0.000 1.175 28 A CA 2.657 54.316 52.037 -0.629 0.000 0.627 28 A CB -0.422 18.454 19.000 -0.207 0.000 0.815 28 A HN -0.141 7.608 8.150 -0.668 0.000 0.443 29 K N -2.029 118.243 120.400 -0.213 0.000 2.152 29 K HA -0.313 3.955 4.320 -0.086 0.000 0.206 29 K C 1.335 177.870 176.600 -0.108 0.000 1.048 29 K CA 2.751 58.966 56.287 -0.121 0.000 0.933 29 K CB -0.077 32.363 32.500 -0.101 0.000 0.721 29 K HN -0.294 7.814 8.250 -0.237 0.000 0.447 30 A N -3.496 119.232 122.820 -0.152 0.000 2.167 30 A HA 0.005 4.280 4.320 -0.075 0.000 0.214 30 A C -0.236 177.309 177.584 -0.065 0.000 1.151 30 A CA 0.663 52.638 52.037 -0.103 0.000 0.735 30 A CB 0.163 19.093 19.000 -0.117 0.000 0.802 30 A HN -0.676 7.320 8.150 -0.213 0.027 0.467 31 A N -0.225 122.558 122.820 -0.063 0.000 2.341 31 A HA 0.363 4.709 4.320 0.043 0.000 0.326 31 A C -1.749 175.854 177.584 0.031 0.000 1.402 31 A CA -3.135 48.922 52.037 0.033 0.000 0.957 31 A CB -0.111 18.991 19.000 0.170 0.000 1.151 31 A HN -0.549 7.358 8.150 -0.120 0.171 0.533 32 P HA -0.059 4.364 4.420 0.005 0.000 0.226 32 P C -1.291 176.022 177.300 0.022 0.000 1.153 32 P CA 1.226 64.334 63.100 0.013 0.000 0.777 32 P CB 0.239 31.943 31.700 0.007 0.000 0.794 33 D N -4.796 115.625 120.400 0.035 0.000 2.368 33 D HA 0.050 4.842 4.640 0.024 -0.137 0.218 33 D C -1.623 174.704 176.300 0.045 0.000 1.112 33 D CA -0.720 53.300 54.000 0.033 0.000 0.834 33 D CB -0.276 40.540 40.800 0.027 0.000 0.953 33 D HN 0.145 8.486 8.370 0.043 0.054 0.505 34 V N -0.218 119.736 119.914 0.067 0.000 2.513 34 V HA 0.634 5.012 4.120 0.072 -0.216 0.299 34 V C -0.945 175.189 176.094 0.067 0.000 1.035 34 V CA -1.979 60.376 62.300 0.091 0.000 0.889 34 V CB 1.549 33.491 31.823 0.198 0.000 0.988 34 V HN -0.659 7.500 8.190 0.066 0.071 0.440 35 Q N 7.488 127.322 119.800 0.056 0.000 2.347 35 Q HA 0.202 4.565 4.340 0.039 0.000 0.262 35 Q C -2.011 174.024 176.000 0.059 0.000 0.980 35 Q CA -1.405 54.425 55.803 0.044 0.000 0.867 35 Q CB 2.561 31.318 28.738 0.031 0.000 1.242 35 Q HN 0.315 8.617 8.270 0.053 0.000 0.453 36 L N 6.987 128.246 121.223 0.060 0.000 2.276 36 L HA 0.373 4.901 4.340 0.089 -0.135 0.286 36 L C -1.006 175.899 176.870 0.058 0.000 1.061 36 L CA -0.467 54.417 54.840 0.073 0.000 0.807 36 L CB 1.172 43.270 42.059 0.065 0.000 1.177 36 L HN 0.400 8.659 8.230 0.048 0.000 0.429 37 L N 9.013 130.273 121.223 0.061 0.000 2.301 37 L HA 0.344 4.716 4.340 0.053 0.000 0.278 37 L C -1.992 174.924 176.870 0.077 0.000 1.022 37 L CA -0.639 54.235 54.840 0.057 0.000 0.854 37 L CB 0.817 42.902 42.059 0.043 0.000 1.226 37 L HN 0.527 8.794 8.230 0.063 0.000 0.429 38 M N 4.912 124.570 119.600 0.096 0.000 2.383 38 M HA 0.588 5.365 4.480 0.142 -0.212 0.325 38 M C -1.137 175.255 176.300 0.152 0.000 1.092 38 M CA -0.945 54.443 55.300 0.148 0.000 0.961 38 M CB 2.845 35.551 32.600 0.177 0.000 1.672 38 M HN 0.259 8.601 8.290 0.088 0.000 0.438 39 N N 4.579 123.374 118.700 0.159 0.000 2.240 39 N HA 0.244 4.972 4.740 -0.020 0.000 0.302 39 N C -2.638 172.903 175.510 0.051 0.000 1.106 39 N CA -0.456 52.626 53.050 0.053 0.000 0.778 39 N CB 4.216 42.723 38.487 0.033 0.000 1.431 39 N HN 0.350 8.844 8.380 0.189 0.000 0.479 40 D N 1.526 121.752 120.400 -0.290 0.000 2.359 40 D HA 0.229 4.793 4.640 -0.126 0.000 0.230 40 D C 0.270 176.488 176.300 -0.138 0.000 1.118 40 D CA -0.481 53.296 54.000 -0.372 0.000 0.844 40 D CB -0.144 40.125 40.800 -0.885 0.000 1.059 40 D HN 0.184 8.339 8.370 -0.358 0.000 0.493 41 S N 6.599 122.286 115.700 -0.022 0.000 2.603 41 S HA 0.036 4.627 4.470 -0.004 -0.123 0.220 41 S C -0.109 174.487 174.600 -0.007 0.000 0.967 41 S CA 0.906 59.110 58.200 0.006 0.000 0.920 41 S CB 0.142 63.382 63.200 0.068 0.000 0.773 41 S HN 0.149 8.475 8.310 0.027 0.000 0.529 42 Q N -2.965 116.807 119.800 -0.047 0.000 2.481 42 Q HA -0.415 3.888 4.340 -0.062 0.000 0.272 42 Q C -0.737 175.263 176.000 0.001 0.000 1.157 42 Q CA 0.780 56.557 55.803 -0.042 0.000 0.935 42 Q CB -2.444 26.269 28.738 -0.042 0.000 1.338 42 Q HN -0.238 8.216 8.270 -0.070 -0.225 0.494 43 N N -4.609 114.104 118.700 0.022 0.000 2.725 43 N HA -0.376 4.571 4.740 0.233 -0.067 0.249 43 N C -1.897 173.687 175.510 0.122 0.000 1.103 43 N CA 1.490 54.616 53.050 0.127 0.000 0.707 43 N CB -0.356 38.204 38.487 0.122 0.000 1.043 43 N HN 0.087 8.434 8.380 -0.009 0.028 0.553 44 D N -2.890 117.567 120.400 0.094 0.000 2.575 44 D HA 0.224 4.909 4.640 0.076 0.000 0.250 44 D C -0.534 175.808 176.300 0.070 0.000 1.279 44 D CA -1.095 52.948 54.000 0.071 0.000 0.925 44 D CB 2.374 43.200 40.800 0.043 0.000 1.261 44 D HN -0.753 7.649 8.370 0.087 0.019 0.567 45 Q N 7.266 127.108 119.800 0.070 0.000 2.170 45 Q HA -0.332 4.053 4.340 0.075 0.000 0.203 45 Q C 1.300 177.328 176.000 0.047 0.000 0.976 45 Q CA 2.884 58.725 55.803 0.063 0.000 0.858 45 Q CB 0.209 28.979 28.738 0.053 0.000 0.907 45 Q HN 0.664 8.976 8.270 0.070 0.000 0.433 46 S N -0.810 114.912 115.700 0.037 0.000 2.368 46 S HA -0.280 4.206 4.470 0.027 0.000 0.225 46 S C 1.971 176.586 174.600 0.026 0.000 1.030 46 S CA 3.642 61.858 58.200 0.028 0.000 0.999 46 S CB -0.919 62.294 63.200 0.021 0.000 0.844 46 S HN -0.232 8.246 8.310 0.038 -0.145 0.459 47 K N 2.520 122.936 120.400 0.026 0.000 2.057 47 K HA -0.389 3.939 4.320 0.014 0.000 0.207 47 K C 2.108 178.724 176.600 0.026 0.000 1.049 47 K CA 3.290 59.589 56.287 0.019 0.000 0.931 47 K CB -0.374 32.133 32.500 0.012 0.000 0.714 47 K HN -0.816 7.642 8.250 0.029 -0.191 0.440 48 Q N -0.276 119.549 119.800 0.041 0.000 2.084 48 Q HA -0.354 4.229 4.340 0.049 -0.214 0.202 48 Q C 2.331 178.360 176.000 0.047 0.000 0.978 48 Q CA 3.159 58.994 55.803 0.053 0.000 0.844 48 Q CB -0.101 28.682 28.738 0.076 0.000 0.898 48 Q HN -0.321 7.905 8.270 0.046 0.072 0.426 49 N N -0.763 117.963 118.700 0.043 0.000 2.104 49 N HA -0.305 4.461 4.740 0.043 0.000 0.190 49 N C 2.346 177.872 175.510 0.027 0.000 1.024 49 N CA 3.038 56.111 53.050 0.037 0.000 0.853 49 N CB -0.565 37.941 38.487 0.031 0.000 1.008 49 N HN -0.096 8.310 8.380 0.043 0.000 0.424 50 D N 0.592 121.005 120.400 0.022 0.000 2.144 50 D HA -0.156 4.492 4.640 0.014 0.000 0.200 50 D C 2.533 178.843 176.300 0.016 0.000 0.978 50 D CA 2.928 56.937 54.000 0.015 0.000 0.833 50 D CB -0.532 40.275 40.800 0.011 0.000 0.961 50 D HN -0.546 7.838 8.370 0.023 0.000 0.470 51 Q N -0.083 119.729 119.800 0.020 0.000 2.124 51 Q HA -0.310 4.039 4.340 0.015 0.000 0.202 51 Q C 2.745 178.761 176.000 0.026 0.000 0.977 51 Q CA 3.188 59.004 55.803 0.021 0.000 0.850 51 Q CB 0.069 28.822 28.738 0.025 0.000 0.901 51 Q HN -0.367 7.842 8.270 0.022 0.074 0.429 52 I N 0.191 120.780 120.570 0.030 0.000 2.315 52 I HA -0.577 3.611 4.170 0.030 0.000 0.248 52 I C 1.560 177.689 176.117 0.019 0.000 1.117 52 I CA 4.532 65.849 61.300 0.028 0.000 1.404 52 I CB -0.334 37.686 38.000 0.033 0.000 1.071 52 I HN -0.057 8.173 8.210 0.033 0.000 0.419 53 D N 0.113 120.523 120.400 0.017 0.000 2.123 53 D HA -0.327 4.319 4.640 0.010 0.000 0.196 53 D C 2.507 178.814 176.300 0.011 0.000 0.992 53 D CA 3.606 57.613 54.000 0.012 0.000 0.833 53 D CB -0.617 40.189 40.800 0.010 0.000 0.954 53 D HN -0.539 7.842 8.370 0.018 0.000 0.455 54 V N -0.155 119.766 119.914 0.012 0.000 2.343 54 V HA -0.402 3.723 4.120 0.009 0.000 0.247 54 V C 2.056 178.158 176.094 0.013 0.000 1.051 54 V CA 3.735 66.042 62.300 0.011 0.000 1.036 54 V CB -0.451 31.378 31.823 0.010 0.000 0.654 54 V HN -0.487 7.711 8.190 0.013 0.000 0.451 55 L N -1.258 119.975 121.223 0.017 0.000 2.042 55 L HA -0.431 3.921 4.340 0.020 0.000 0.210 55 L C 2.370 179.250 176.870 0.015 0.000 1.076 55 L CA 3.379 58.230 54.840 0.019 0.000 0.749 55 L CB -0.523 41.550 42.059 0.025 0.000 0.893 55 L HN -0.409 7.832 8.230 0.019 0.000 0.432 56 L N -2.536 118.695 121.223 0.014 0.000 2.083 56 L HA -0.364 3.984 4.340 0.012 0.000 0.209 56 L C 2.868 179.745 176.870 0.011 0.000 1.083 56 L CA 2.778 57.625 54.840 0.012 0.000 0.752 56 L CB -0.613 41.452 42.059 0.010 0.000 0.899 56 L HN -0.218 8.020 8.230 0.014 0.000 0.433 57 A N -0.845 121.981 122.820 0.010 0.000 1.972 57 A HA -0.259 4.066 4.320 0.008 0.000 0.219 57 A C 1.257 178.846 177.584 0.009 0.000 1.169 57 A CA 2.532 54.574 52.037 0.009 0.000 0.635 57 A CB -0.441 18.564 19.000 0.008 0.000 0.810 57 A HN -0.233 7.923 8.150 0.010 0.000 0.446 58 K N -4.406 116.000 120.400 0.010 0.000 2.525 58 K HA -0.116 4.210 4.320 0.010 0.000 0.192 58 K C 0.128 176.734 176.600 0.010 0.000 1.029 58 K CA -0.243 56.050 56.287 0.011 0.000 1.029 58 K CB 0.095 32.602 32.500 0.013 0.000 0.814 58 K HN -0.503 7.641 8.250 0.011 0.113 0.503 59 G N -1.070 107.736 108.800 0.010 0.000 2.198 59 G HA2 -0.381 3.585 3.960 0.010 0.000 0.257 59 G HA3 -0.381 3.585 3.960 0.009 0.000 0.257 59 G C -0.084 174.821 174.900 0.008 0.000 1.042 59 G CA 0.063 45.169 45.100 0.009 0.000 0.791 59 G HN -0.450 7.656 8.290 0.010 0.190 0.502 60 V N -6.898 113.021 119.914 0.009 0.000 2.901 60 V HA -0.143 4.090 4.120 0.005 -0.109 0.307 60 V C 0.067 176.161 176.094 0.001 0.000 1.084 60 V CA 0.614 62.918 62.300 0.006 0.000 1.184 60 V CB 0.176 32.003 31.823 0.008 0.000 0.941 60 V HN -0.852 7.345 8.190 0.011 0.000 0.493 61 K N 2.418 122.812 120.400 -0.009 0.000 2.379 61 K HA 0.080 4.396 4.320 -0.006 0.000 0.194 61 K C -0.656 175.927 176.600 -0.028 0.000 1.031 61 K CA -0.626 55.651 56.287 -0.016 0.000 1.037 61 K CB 0.175 32.660 32.500 -0.024 0.000 0.824 61 K HN 0.259 8.502 8.250 -0.012 0.000 0.516 62 A N -2.928 119.869 122.820 -0.037 0.000 2.612 62 A HA 0.482 4.901 4.320 -0.032 -0.118 0.293 62 A C -2.986 174.574 177.584 -0.040 0.000 1.075 62 A CA -0.632 51.375 52.037 -0.051 0.000 0.680 62 A CB 3.175 22.112 19.000 -0.105 0.000 1.279 62 A HN -0.851 7.279 8.150 -0.032 0.000 0.411 63 L N -0.516 120.682 121.223 -0.041 0.000 2.346 63 L HA 0.842 5.371 4.340 -0.013 -0.197 0.276 63 L C -1.710 175.129 176.870 -0.051 0.000 1.006 63 L CA -1.645 53.174 54.840 -0.035 0.000 0.817 63 L CB 4.264 46.297 42.059 -0.042 0.000 1.272 63 L HN 0.135 8.340 8.230 -0.041 0.000 0.421 64 A N 3.379 126.205 122.820 0.011 0.000 2.291 64 A HA 0.853 5.417 4.320 0.052 -0.214 0.311 64 A C -1.964 175.821 177.584 0.336 0.000 1.224 64 A CA -1.846 50.251 52.037 0.100 0.000 0.821 64 A CB 2.450 21.426 19.000 -0.039 0.000 1.172 64 A HN 0.997 9.168 8.150 0.034 0.000 0.494 65 I N 3.933 124.680 120.570 0.296 0.000 2.418 65 I HA 0.320 4.596 4.170 0.176 0.000 0.287 65 I C -1.528 174.614 176.117 0.042 0.000 1.008 65 I CA -2.393 59.006 61.300 0.165 0.000 1.104 65 I CB 1.885 39.888 38.000 0.004 0.000 1.264 65 I HN 0.208 8.567 8.210 0.249 0.000 0.438 66 N N 8.031 126.567 118.700 -0.275 0.000 2.589 66 N HA 0.270 4.900 4.740 -0.493 -0.186 0.232 66 N C -1.579 173.902 175.510 -0.048 0.000 1.015 66 N CA -1.593 51.175 53.050 -0.470 0.000 0.931 66 N CB 1.014 38.996 38.487 -0.841 0.000 1.150 66 N HN -0.146 8.150 8.380 -0.139 0.000 0.512 67 L N 3.128 124.375 121.223 0.040 0.000 2.483 67 L HA -0.194 4.461 4.340 0.116 -0.246 0.276 67 L C 0.586 177.480 176.870 0.041 0.000 1.213 67 L CA 1.057 55.941 54.840 0.073 0.000 0.843 67 L CB 0.427 42.511 42.059 0.042 0.000 1.107 67 L HN 0.227 8.494 8.230 0.061 0.000 0.487 68 V N 0.113 120.086 119.914 0.099 0.000 2.283 68 V HA -0.156 4.055 4.120 0.151 0.000 0.243 68 V C 0.361 176.462 176.094 0.011 0.000 1.039 68 V CA 2.205 64.574 62.300 0.114 0.000 1.016 68 V CB 0.462 32.386 31.823 0.170 0.000 0.650 68 V HN -0.125 8.415 8.190 0.111 -0.284 0.449 69 D N -2.464 117.941 120.400 0.009 0.000 2.425 69 D HA 0.510 5.131 4.640 -0.032 0.000 0.240 69 D C -1.342 174.921 176.300 -0.062 0.000 1.080 69 D CA -2.726 51.260 54.000 -0.024 0.000 0.836 69 D CB 0.649 41.447 40.800 -0.003 0.000 1.125 69 D HN -0.307 8.407 8.370 0.029 -0.326 0.525 70 P HA -0.171 4.136 4.420 -0.188 0.000 0.219 70 P C 0.401 177.607 177.300 -0.158 0.000 1.146 70 P CA 1.758 64.757 63.100 -0.168 0.000 0.808 70 P CB 0.290 31.867 31.700 -0.206 0.000 0.779 71 A N -3.592 119.164 122.820 -0.106 0.000 2.172 71 A HA -0.102 4.155 4.320 -0.105 0.000 0.216 71 A C 1.172 178.713 177.584 -0.070 0.000 1.154 71 A CA 1.957 53.941 52.037 -0.088 0.000 0.701 71 A CB -0.971 17.994 19.000 -0.058 0.000 0.789 71 A HN -0.219 8.116 8.150 -0.090 -0.239 0.465 72 A N -4.029 118.759 122.820 -0.053 0.000 2.238 72 A HA -0.056 4.256 4.320 -0.013 0.000 0.208 72 A C 0.354 177.933 177.584 -0.008 0.000 1.177 72 A CA 0.196 52.224 52.037 -0.016 0.000 0.804 72 A CB -0.459 18.551 19.000 0.016 0.000 0.823 72 A HN -0.317 7.639 8.150 -0.056 0.160 0.482 73 A N -0.272 122.489 122.820 -0.100 0.000 1.908 73 A HA -0.410 3.874 4.320 -0.060 0.000 0.218 73 A C 1.411 179.002 177.584 0.011 0.000 1.181 73 A CA 3.599 55.542 52.037 -0.157 0.000 0.627 73 A CB -0.593 18.093 19.000 -0.523 0.000 0.818 73 A HN -0.465 7.522 8.150 -0.144 0.076 0.445 74 G N -3.557 105.226 108.800 -0.028 0.000 2.422 74 G HA2 -0.362 3.600 3.960 0.005 0.000 0.218 74 G HA3 -0.362 3.585 3.960 -0.021 0.000 0.218 74 G C 1.050 175.956 174.900 0.010 0.000 1.146 74 G CA 2.109 47.206 45.100 -0.005 0.000 0.769 74 G HN 0.401 8.655 8.290 -0.061 0.000 0.547 75 T N 4.079 118.642 114.554 0.015 0.000 2.708 75 T HA -0.388 3.964 4.350 0.003 0.000 0.266 75 T C 1.978 176.699 174.700 0.034 0.000 1.037 75 T CA 4.495 66.605 62.100 0.017 0.000 1.146 75 T CB -0.199 68.681 68.868 0.020 0.000 0.865 75 T HN -0.411 7.834 8.240 0.010 0.000 0.435 76 V N 1.412 121.380 119.914 0.090 0.000 2.358 76 V HA -0.399 3.764 4.120 0.073 0.000 0.246 76 V C 1.684 177.817 176.094 0.064 0.000 1.047 76 V CA 3.950 66.319 62.300 0.115 0.000 1.035 76 V CB -0.820 31.151 31.823 0.247 0.000 0.658 76 V HN -0.475 7.781 8.190 0.109 0.000 0.452 77 I N 0.368 120.996 120.570 0.098 0.000 2.208 77 I HA -0.642 3.472 4.170 -0.092 0.000 0.245 77 I C 2.027 178.001 176.117 -0.239 0.000 1.097 77 I CA 4.760 66.016 61.300 -0.073 0.000 1.363 77 I CB -0.419 37.580 38.000 -0.002 0.000 1.051 77 I HN 0.127 8.441 8.210 0.173 0.000 0.413 78 E N -1.366 118.756 120.200 -0.129 0.000 2.106 78 E HA -0.314 3.925 4.350 -0.184 0.000 0.192 78 E C 2.681 179.216 176.600 -0.109 0.000 0.984 78 E CA 2.607 58.929 56.400 -0.131 0.000 0.806 78 E CB -0.888 28.769 29.700 -0.071 0.000 0.750 78 E HN -0.181 8.138 8.360 -0.069 0.000 0.458 79 K N -0.648 119.711 120.400 -0.068 0.000 2.032 79 K HA -0.294 4.004 4.320 -0.037 0.000 0.209 79 K C 2.323 178.888 176.600 -0.059 0.000 1.048 79 K CA 2.892 59.152 56.287 -0.045 0.000 0.927 79 K CB -0.164 32.327 32.500 -0.015 0.000 0.712 79 K HN -0.675 7.545 8.250 -0.051 0.000 0.441 80 A N -1.671 121.097 122.820 -0.086 0.000 1.930 80 A HA -0.322 3.991 4.320 -0.011 0.000 0.217 80 A C 1.750 179.286 177.584 -0.081 0.000 1.175 80 A CA 2.892 54.894 52.037 -0.059 0.000 0.627 80 A CB -0.450 18.535 19.000 -0.024 0.000 0.815 80 A HN -0.496 7.597 8.150 -0.096 0.000 0.443 81 R N 0.091 120.419 120.500 -0.288 0.000 2.103 81 R HA -0.288 3.963 4.340 -0.148 0.000 0.242 81 R C 3.055 179.338 176.300 -0.030 0.000 1.142 81 R CA 2.942 58.900 56.100 -0.237 0.000 0.960 81 R CB -0.101 29.973 30.300 -0.377 0.000 0.858 81 R HN 0.165 8.209 8.270 -0.377 0.000 0.439 82 G N -2.207 106.565 108.800 -0.045 0.000 2.470 82 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.220 82 G HA3 -0.192 3.759 3.960 -0.015 0.000 0.220 82 G C 0.537 175.446 174.900 0.014 0.000 1.121 82 G CA 1.297 46.391 45.100 -0.010 0.000 0.766 82 G HN -0.410 7.817 8.290 -0.075 0.018 0.553 83 Q N -1.780 118.035 119.800 0.024 0.000 2.219 83 Q HA 0.151 4.508 4.340 0.029 0.000 0.209 83 Q C -1.191 174.846 176.000 0.061 0.000 0.854 83 Q CA -0.732 55.092 55.803 0.035 0.000 0.960 83 Q CB 1.021 29.774 28.738 0.026 0.000 1.116 83 Q HN -0.731 7.406 8.270 0.017 0.144 0.500 84 N N -3.576 115.185 118.700 0.101 0.000 2.725 84 N HA -0.422 4.447 4.740 0.215 0.000 0.249 84 N C -1.200 174.398 175.510 0.147 0.000 1.103 84 N CA 1.193 54.330 53.050 0.144 0.000 0.707 84 N CB -1.706 36.833 38.487 0.087 0.000 1.043 84 N HN -0.347 7.901 8.380 0.097 0.190 0.553 85 V N 0.912 120.927 119.914 0.169 0.000 2.407 85 V HA 0.200 4.368 4.120 0.080 0.000 0.278 85 V C -1.958 174.251 176.094 0.192 0.000 1.037 85 V CA -3.328 59.046 62.300 0.123 0.000 0.900 85 V CB -0.080 31.786 31.823 0.072 0.000 0.983 85 V HN -0.405 7.867 8.190 0.171 0.021 0.459 86 P HA -0.026 4.541 4.420 0.085 -0.096 0.272 86 P C -1.935 175.412 177.300 0.079 0.000 1.223 86 P CA -0.284 62.864 63.100 0.080 0.000 0.784 86 P CB 0.702 32.403 31.700 0.002 0.000 0.923 87 V N 0.953 120.927 119.914 0.099 0.000 2.525 87 V HA 0.482 4.733 4.120 -0.115 -0.200 0.299 87 V C -1.065 174.987 176.094 -0.071 0.000 1.034 87 V CA -1.361 60.889 62.300 -0.083 0.000 0.863 87 V CB 2.450 34.126 31.823 -0.246 0.000 0.999 87 V HN 0.278 8.563 8.190 0.158 0.000 0.423 88 V N 7.455 127.311 119.914 -0.096 0.000 2.304 88 V HA 0.125 4.461 4.120 0.151 -0.125 0.269 88 V C -0.717 175.421 176.094 0.073 0.000 1.036 88 V CA -0.983 61.332 62.300 0.024 0.000 0.840 88 V CB -0.175 31.615 31.823 -0.055 0.000 1.036 88 V HN 0.593 8.712 8.190 -0.118 0.000 0.466 89 F N 7.857 127.993 119.950 0.310 0.000 2.410 89 F HA 0.424 5.361 4.527 0.341 -0.206 0.334 89 F C -0.142 175.923 175.800 0.443 0.000 1.134 89 F CA 0.432 58.660 58.000 0.381 0.000 1.227 89 F CB 1.436 40.664 39.000 0.380 0.000 1.194 89 F HN 0.251 8.781 8.300 0.384 0.000 0.571 90 F N -3.171 116.975 119.950 0.328 0.000 2.619 90 F HA 0.736 5.292 4.527 -0.269 -0.190 0.308 90 F C -0.293 175.644 175.800 0.228 0.000 1.097 90 F CA -2.384 55.645 58.000 0.048 0.000 0.953 90 F CB 3.242 42.207 39.000 -0.059 0.000 1.287 90 F HN 0.174 8.733 8.300 0.431 0.000 0.446 91 N N 1.713 120.559 118.700 0.244 0.000 2.624 91 N HA -0.517 4.392 4.740 0.282 0.000 0.222 91 N C -1.548 174.110 175.510 0.247 0.000 0.908 91 N CA 3.036 56.240 53.050 0.257 0.000 1.919 91 N CB -0.372 38.242 38.487 0.210 0.000 0.893 91 N HN 0.460 8.888 8.380 0.080 0.000 0.549 92 K N 2.458 122.951 120.400 0.156 0.000 2.316 92 K HA 0.154 4.389 4.320 -0.141 0.000 0.267 92 K C -1.271 175.263 176.600 -0.110 0.000 1.025 92 K CA -0.842 55.413 56.287 -0.054 0.000 0.896 92 K CB 0.435 32.840 32.500 -0.159 0.000 1.124 92 K HN -0.399 7.852 8.250 0.150 0.088 0.451 93 E N 6.256 126.249 120.200 -0.344 0.000 2.223 93 E HA 0.132 3.556 4.350 -1.544 0.000 0.282 93 E C -1.558 174.680 176.600 -0.604 0.000 1.046 93 E CA -2.895 52.993 56.400 -0.854 0.000 0.857 93 E CB 0.832 30.081 29.700 -0.751 0.000 1.055 93 E HN 0.100 8.285 8.360 -0.291 0.000 0.409 94 P HA 0.094 4.246 4.420 -0.447 0.000 0.272 94 P C -0.711 176.369 177.300 -0.368 0.000 1.240 94 P CA -0.313 62.481 63.100 -0.510 0.000 0.791 94 P CB 0.847 32.139 31.700 -0.680 0.000 0.978 95 S N -0.112 115.430 115.700 -0.263 0.000 2.589 95 S HA -0.079 4.286 4.470 -0.174 0.000 0.265 95 S C 1.510 176.020 174.600 -0.151 0.000 1.342 95 S CA 0.172 58.265 58.200 -0.179 0.000 1.005 95 S CB 1.194 64.315 63.200 -0.132 0.000 0.909 95 S HN 0.206 8.360 8.310 -0.261 0.000 0.555 96 R N 2.257 122.694 120.500 -0.105 0.000 2.083 96 R HA -0.341 3.957 4.340 -0.070 0.000 0.237 96 R C 1.857 178.123 176.300 -0.057 0.000 1.137 96 R CA 3.638 59.695 56.100 -0.071 0.000 0.951 96 R CB -0.431 29.840 30.300 -0.048 0.000 0.851 96 R HN 0.599 8.810 8.270 -0.099 0.000 0.434 97 K N -2.673 117.694 120.400 -0.056 0.000 2.057 97 K HA -0.350 3.952 4.320 -0.030 0.000 0.207 97 K C 2.104 178.681 176.600 -0.040 0.000 1.049 97 K CA 3.151 59.414 56.287 -0.040 0.000 0.931 97 K CB -0.399 32.078 32.500 -0.038 0.000 0.714 97 K HN 0.071 8.285 8.250 -0.061 0.000 0.440 98 A N -0.830 121.949 122.820 -0.069 0.000 1.877 98 A HA -0.231 4.065 4.320 -0.041 0.000 0.216 98 A C 2.704 180.276 177.584 -0.020 0.000 1.186 98 A CA 2.809 54.806 52.037 -0.068 0.000 0.620 98 A CB -0.552 18.356 19.000 -0.152 0.000 0.822 98 A HN -0.463 7.634 8.150 -0.089 0.000 0.443 99 L N -2.571 118.627 121.223 -0.042 0.000 2.079 99 L HA -0.447 3.936 4.340 0.071 0.000 0.210 99 L C 1.955 178.830 176.870 0.009 0.000 1.081 99 L CA 2.937 57.783 54.840 0.010 0.000 0.752 99 L CB -0.379 41.670 42.059 -0.016 0.000 0.896 99 L HN -0.160 8.021 8.230 -0.082 0.000 0.433 100 D N -3.794 116.602 120.400 -0.007 0.000 2.363 100 D HA -0.091 4.536 4.640 -0.022 0.000 0.220 100 D C 1.450 177.766 176.300 0.026 0.000 0.994 100 D CA 2.162 56.159 54.000 -0.006 0.000 0.890 100 D CB -0.318 40.474 40.800 -0.013 0.000 0.906 100 D HN -0.252 8.092 8.370 -0.017 0.016 0.530 101 S N -1.718 114.015 115.700 0.055 0.000 2.522 101 S HA -0.069 4.435 4.470 0.057 0.000 0.227 101 S C -0.579 174.123 174.600 0.170 0.000 0.986 101 S CA 1.223 59.470 58.200 0.079 0.000 0.929 101 S CB 0.585 63.816 63.200 0.051 0.000 0.769 101 S HN -0.521 7.643 8.310 0.049 0.176 0.529 102 Y N 1.545 121.848 120.300 0.004 0.000 2.396 102 Y HA 0.161 4.720 4.550 0.015 0.000 0.332 102 Y C -2.168 173.725 175.900 -0.012 0.000 1.034 102 Y CA -1.614 56.495 58.100 0.014 0.000 1.057 102 Y CB 3.340 41.830 38.460 0.049 0.000 1.220 102 Y HN -0.947 7.381 8.280 0.183 0.062 0.440 103 D N 5.064 125.358 120.400 -0.177 0.000 2.350 103 D HA -0.159 4.378 4.640 -0.171 0.000 0.216 103 D C -0.244 175.819 176.300 -0.395 0.000 0.968 103 D CA 1.437 55.292 54.000 -0.241 0.000 0.894 103 D CB -0.383 40.335 40.800 -0.137 0.000 0.909 103 D HN 0.259 8.592 8.370 -0.063 0.000 0.520 104 K N -3.117 116.809 120.400 -0.789 0.000 2.537 104 K HA 0.132 4.379 4.320 -0.122 0.000 0.206 104 K C -1.978 174.498 176.600 -0.207 0.000 1.041 104 K CA -1.047 54.944 56.287 -0.493 0.000 1.090 104 K CB 0.028 32.181 32.500 -0.580 0.000 0.833 104 K HN -0.304 7.063 8.250 -1.369 0.062 0.493 105 A N -0.803 121.915 122.820 -0.170 0.000 2.292 105 A HA 0.873 5.566 4.320 0.268 -0.212 0.319 105 A C -1.337 176.166 177.584 -0.135 0.000 1.206 105 A CA -1.803 50.314 52.037 0.133 0.000 0.835 105 A CB 2.475 21.684 19.000 0.348 0.000 1.164 105 A HN -0.719 7.187 8.150 -0.296 0.067 0.505 106 Y N 0.858 121.282 120.300 0.208 0.000 2.638 106 Y HA 0.550 5.314 4.550 0.174 -0.110 0.339 106 Y C -1.896 174.211 175.900 0.346 0.000 1.084 106 Y CA -1.417 56.796 58.100 0.188 0.000 1.068 106 Y CB 5.243 43.740 38.460 0.062 0.000 1.294 106 Y HN 0.274 8.810 8.280 0.426 0.000 0.480 107 Y N -0.701 119.774 120.300 0.293 0.000 2.470 107 Y HA 0.668 5.628 4.550 0.313 -0.222 0.341 107 Y C -2.502 173.493 175.900 0.158 0.000 1.021 107 Y CA -2.095 56.151 58.100 0.242 0.000 1.025 107 Y CB 4.429 42.989 38.460 0.168 0.000 1.266 107 Y HN 0.453 8.988 8.280 0.425 0.000 0.448 108 V N 6.527 126.028 119.914 -0.688 0.000 2.409 108 V HA 0.641 4.664 4.120 -0.442 -0.168 0.291 108 V C -1.644 173.896 176.094 -0.923 0.000 1.020 108 V CA -1.514 60.423 62.300 -0.606 0.000 0.848 108 V CB 1.704 33.303 31.823 -0.374 0.000 0.990 108 V HN 0.317 8.113 8.190 -0.656 0.000 0.430 109 G N 5.491 113.963 108.800 -0.547 0.000 2.696 109 G HA2 0.439 4.317 3.960 -0.137 0.000 0.151 109 G HA3 0.439 4.348 3.960 -0.084 0.000 0.151 109 G C -3.084 171.794 174.900 -0.036 0.000 1.197 109 G CA 0.494 45.472 45.100 -0.203 0.000 1.053 109 G HN 0.620 8.690 8.290 -0.367 0.000 0.546 110 T N -3.005 111.604 114.554 0.092 0.000 2.841 110 T HA 0.194 4.531 4.350 -0.022 0.000 0.296 110 T C -1.877 172.928 174.700 0.176 0.000 1.166 110 T CA -2.277 59.851 62.100 0.045 0.000 1.007 110 T CB 2.718 71.522 68.868 -0.107 0.000 1.253 110 T HN -0.299 8.062 8.240 0.202 0.000 0.511 111 D N 0.353 120.875 120.400 0.204 0.000 2.441 111 D HA 0.268 4.997 4.640 0.150 0.000 0.221 111 D C 0.633 177.080 176.300 0.246 0.000 1.156 111 D CA -1.130 52.983 54.000 0.189 0.000 0.896 111 D CB -0.112 40.767 40.800 0.133 0.000 1.028 111 D HN 0.379 8.857 8.370 0.179 0.000 0.509 112 S N 7.133 122.948 115.700 0.192 0.000 2.370 112 S HA -0.378 4.227 4.470 0.226 0.000 0.226 112 S C 1.417 176.013 174.600 -0.006 0.000 1.033 112 S CA 3.168 61.460 58.200 0.152 0.000 1.011 112 S CB -0.295 63.001 63.200 0.161 0.000 0.852 112 S HN 0.491 8.901 8.310 0.166 0.000 0.457 113 K N 1.794 122.145 120.400 -0.082 0.000 2.063 113 K HA -0.405 3.737 4.320 -0.297 0.000 0.208 113 K C 1.216 177.649 176.600 -0.278 0.000 1.048 113 K CA 3.227 59.316 56.287 -0.329 0.000 0.928 113 K CB -0.261 31.871 32.500 -0.614 0.000 0.713 113 K HN -0.418 7.902 8.250 -0.049 -0.099 0.442 114 E N -1.600 118.511 120.200 -0.149 0.000 2.118 114 E HA -0.337 3.947 4.350 -0.110 0.000 0.195 114 E C 2.026 178.508 176.600 -0.196 0.000 0.992 114 E CA 3.347 59.691 56.400 -0.094 0.000 0.804 114 E CB -0.301 29.447 29.700 0.080 0.000 0.741 114 E HN -0.361 8.087 8.360 -0.077 -0.134 0.458 115 S N -1.358 114.051 115.700 -0.485 0.000 2.382 115 S HA -0.208 3.867 4.470 -0.658 0.000 0.228 115 S C 2.346 176.754 174.600 -0.321 0.000 1.027 115 S CA 3.151 60.914 58.200 -0.728 0.000 0.991 115 S CB -1.109 61.208 63.200 -1.472 0.000 0.823 115 S HN -0.377 7.629 8.310 -0.488 0.011 0.469 116 G N 2.131 110.813 108.800 -0.196 0.000 2.402 116 G HA2 -0.181 3.731 3.960 -0.080 0.000 0.216 116 G HA3 -0.181 3.790 3.960 0.020 0.000 0.216 116 G C 1.244 176.116 174.900 -0.046 0.000 1.162 116 G CA 1.847 46.908 45.100 -0.065 0.000 0.777 116 G HN -0.740 7.427 8.290 -0.204 0.000 0.539 117 I N 3.212 123.750 120.570 -0.054 0.000 2.163 117 I HA -0.352 3.816 4.170 -0.003 0.000 0.243 117 I C 2.269 178.360 176.117 -0.044 0.000 1.085 117 I CA 2.147 63.426 61.300 -0.035 0.000 1.347 117 I CB -0.964 37.003 38.000 -0.056 0.000 1.044 117 I HN -0.400 7.755 8.210 -0.092 0.000 0.408 118 I N -0.788 119.749 120.570 -0.056 0.000 2.226 118 I HA -0.645 3.523 4.170 -0.004 0.000 0.245 118 I C 1.957 178.053 176.117 -0.034 0.000 1.100 118 I CA 4.469 65.754 61.300 -0.026 0.000 1.374 118 I CB -0.478 37.518 38.000 -0.008 0.000 1.057 118 I HN -0.087 8.075 8.210 -0.080 0.000 0.413 119 Q N 0.279 120.037 119.800 -0.070 0.000 2.084 119 Q HA -0.419 3.893 4.340 -0.046 0.000 0.202 119 Q C 2.574 178.491 176.000 -0.138 0.000 0.978 119 Q CA 3.501 59.255 55.803 -0.082 0.000 0.844 119 Q CB -0.224 28.462 28.738 -0.087 0.000 0.898 119 Q HN -0.132 8.083 8.270 -0.093 0.000 0.426 120 G N -1.737 106.986 108.800 -0.128 0.000 2.418 120 G HA2 -0.415 3.411 3.960 -0.223 0.000 0.217 120 G HA3 -0.415 3.464 3.960 -0.135 0.000 0.217 120 G C 0.794 175.624 174.900 -0.117 0.000 1.158 120 G CA 1.806 46.812 45.100 -0.157 0.000 0.771 120 G HN -0.087 8.142 8.290 -0.103 0.000 0.545 121 D N 2.272 122.637 120.400 -0.058 0.000 2.144 121 D HA -0.256 4.373 4.640 -0.019 0.000 0.199 121 D C 1.809 178.117 176.300 0.012 0.000 0.984 121 D CA 3.265 57.255 54.000 -0.017 0.000 0.834 121 D CB 0.221 41.024 40.800 0.005 0.000 0.955 121 D HN -0.297 8.042 8.370 -0.051 0.000 0.465 122 L N -0.738 120.497 121.223 0.020 0.000 2.046 122 L HA -0.235 4.218 4.340 0.188 0.000 0.208 122 L C 1.131 178.066 176.870 0.108 0.000 1.077 122 L CA 2.911 57.824 54.840 0.121 0.000 0.747 122 L CB 0.043 42.180 42.059 0.130 0.000 0.896 122 L HN -0.524 7.702 8.230 -0.006 0.000 0.432 123 I N -2.898 117.542 120.570 -0.216 0.000 2.226 123 I HA -0.629 3.208 4.170 -0.555 0.000 0.245 123 I C 1.601 177.730 176.117 0.020 0.000 1.100 123 I CA 3.683 64.751 61.300 -0.386 0.000 1.374 123 I CB -0.014 37.591 38.000 -0.659 0.000 1.057 123 I HN -0.479 7.574 8.210 -0.263 0.000 0.413 124 A N -0.962 121.855 122.820 -0.005 0.000 1.908 124 A HA -0.407 3.972 4.320 0.097 0.000 0.218 124 A C 1.563 179.236 177.584 0.148 0.000 1.181 124 A CA 3.469 55.552 52.037 0.076 0.000 0.627 124 A CB -1.121 17.890 19.000 0.018 0.000 0.818 124 A HN -0.062 8.050 8.150 -0.064 0.000 0.445 125 K N -1.438 119.022 120.400 0.101 0.000 2.026 125 K HA -0.463 3.859 4.320 0.003 0.000 0.208 125 K C 2.256 178.829 176.600 -0.045 0.000 1.048 125 K CA 2.646 58.943 56.287 0.016 0.000 0.929 125 K CB -0.371 32.119 32.500 -0.017 0.000 0.713 125 K HN -0.403 7.905 8.250 0.096 0.000 0.439 126 H N 0.787 119.954 119.070 0.163 0.000 2.395 126 H HA -0.125 4.436 4.556 0.009 0.000 0.299 126 H C 2.217 177.523 175.328 -0.035 0.000 1.070 126 H CA 1.446 57.567 56.048 0.122 0.000 1.356 126 H CB 0.093 30.145 29.762 0.485 0.000 1.401 126 H HN -0.150 nan 8.280 nan 0.000 0.524 127 W N 0.797 122.162 121.300 0.107 0.000 2.318 127 W HA -0.418 4.313 4.660 0.117 0.000 0.313 127 W C 1.538 178.006 176.519 -0.084 0.000 1.221 127 W CA 2.662 60.047 57.345 0.067 0.000 1.266 127 W CB 0.371 29.924 29.460 0.156 0.000 1.150 127 W HN 0.212 8.727 8.180 0.559 0.000 0.496 128 A N -1.681 121.174 122.820 0.058 0.000 1.940 128 A HA -0.292 3.949 4.320 -0.132 0.000 0.219 128 A C 0.923 178.383 177.584 -0.206 0.000 1.176 128 A CA 2.476 54.458 52.037 -0.091 0.000 0.631 128 A CB -0.817 18.180 19.000 -0.003 0.000 0.814 128 A HN -0.347 7.920 8.150 0.196 0.000 0.446 129 A N -5.004 117.674 122.820 -0.237 0.000 2.169 129 A HA -0.010 4.181 4.320 -0.214 0.000 0.212 129 A C -0.051 177.306 177.584 -0.378 0.000 1.153 129 A CA 0.621 52.496 52.037 -0.269 0.000 0.756 129 A CB 0.432 19.278 19.000 -0.257 0.000 0.813 129 A HN -0.629 7.280 8.150 -0.210 0.115 0.471 130 N N -1.110 117.241 118.700 -0.581 0.000 2.752 130 N HA 0.262 4.658 4.740 -0.574 0.000 0.260 130 N C -0.184 174.915 175.510 -0.685 0.000 1.562 130 N CA -0.121 52.451 53.050 -0.796 0.000 0.788 130 N CB 0.858 38.296 38.487 -1.748 0.000 1.192 130 N HN -0.644 7.226 8.380 -0.569 0.169 0.503 131 Q N 1.827 121.349 119.800 -0.463 0.000 2.226 131 Q HA -0.252 3.736 4.340 -0.586 0.000 0.204 131 Q C 2.226 178.046 176.000 -0.300 0.000 0.975 131 Q CA 3.404 58.953 55.803 -0.424 0.000 0.866 131 Q CB 0.006 28.576 28.738 -0.281 0.000 0.915 131 Q HN 0.518 8.557 8.270 -0.384 0.000 0.440 132 G N -0.644 108.041 108.800 -0.192 0.000 2.509 132 G HA2 -0.179 3.764 3.960 -0.029 0.000 0.218 132 G HA3 -0.179 3.785 3.960 0.006 0.000 0.218 132 G C 0.323 175.304 174.900 0.136 0.000 1.124 132 G CA 0.796 45.880 45.100 -0.026 0.000 0.776 132 G HN 0.382 8.496 8.290 -0.230 0.038 0.547 133 W N -1.907 119.317 121.300 -0.127 0.000 2.465 133 W HA -0.145 4.550 4.660 0.057 0.000 0.268 133 W C 0.251 176.777 176.519 0.012 0.000 1.242 133 W CA -1.023 56.314 57.345 -0.012 0.000 1.248 133 W CB -0.125 29.396 29.460 0.101 0.000 1.118 133 W HN -0.505 7.528 8.180 0.006 0.151 0.587 134 D N -0.696 119.696 120.400 -0.014 0.000 2.551 134 D HA 0.064 4.939 4.640 0.392 0.000 0.223 134 D C 1.181 177.557 176.300 0.126 0.000 1.144 134 D CA -1.392 52.663 54.000 0.091 0.000 1.025 134 D CB -1.553 39.164 40.800 -0.138 0.000 1.085 134 D HN -0.604 7.614 8.370 -0.182 0.043 0.506 135 L N 5.237 126.562 121.223 0.171 0.000 2.042 135 L HA -0.307 4.092 4.340 0.098 0.000 0.210 135 L C 1.552 178.474 176.870 0.087 0.000 1.076 135 L CA 2.442 57.351 54.840 0.114 0.000 0.749 135 L CB -0.403 41.719 42.059 0.106 0.000 0.893 135 L HN -0.228 8.170 8.230 0.228 -0.030 0.432 136 N N -4.157 114.604 118.700 0.101 0.000 2.336 136 N HA -0.046 4.730 4.740 0.059 0.000 0.189 136 N C -0.131 175.422 175.510 0.073 0.000 1.113 136 N CA -0.671 52.425 53.050 0.075 0.000 0.858 136 N CB -0.070 38.457 38.487 0.067 0.000 0.970 136 N HN -0.541 8.186 8.380 0.131 -0.268 0.471 137 K N -3.465 116.984 120.400 0.081 0.000 3.209 137 K HA -0.300 4.141 4.320 0.049 -0.091 0.289 137 K C -0.532 176.113 176.600 0.076 0.000 1.191 137 K CA 1.517 57.840 56.287 0.060 0.000 0.851 137 K CB -1.263 31.257 32.500 0.034 0.000 1.242 137 K HN -0.285 7.922 8.250 0.096 0.100 0.480 138 D N -2.818 117.648 120.400 0.110 0.000 2.339 138 D HA 0.004 4.691 4.640 0.077 0.000 0.217 138 D C 0.499 176.879 176.300 0.133 0.000 1.050 138 D CA -1.076 52.986 54.000 0.102 0.000 0.856 138 D CB -0.174 40.678 40.800 0.086 0.000 0.922 138 D HN -0.565 8.159 8.370 0.133 -0.275 0.518 139 G N -0.205 108.713 108.800 0.198 0.000 2.184 139 G HA2 -0.378 3.804 3.960 0.295 0.000 0.264 139 G HA3 -0.378 3.693 3.960 0.185 0.000 0.264 139 G C -0.572 174.524 174.900 0.327 0.000 0.975 139 G CA 0.409 45.664 45.100 0.258 0.000 0.642 139 G HN -0.054 8.595 8.290 0.203 -0.237 0.536 140 Q N -1.285 118.676 119.800 0.268 0.000 2.257 140 Q HA 0.284 4.802 4.340 0.063 -0.140 0.262 140 Q C -0.264 175.783 176.000 0.077 0.000 0.997 140 Q CA -1.850 54.027 55.803 0.124 0.000 0.873 140 Q CB 2.910 31.691 28.738 0.071 0.000 1.312 140 Q HN -0.393 8.270 8.270 0.253 -0.240 0.450 141 I N 3.413 123.835 120.570 -0.246 0.000 2.322 141 I HA 0.028 4.126 4.170 -0.354 -0.140 0.292 141 I C -0.945 175.167 176.117 -0.007 0.000 1.060 141 I CA -0.581 60.501 61.300 -0.364 0.000 1.309 141 I CB -0.064 37.524 38.000 -0.687 0.000 1.415 141 I HN 0.301 8.350 8.210 -0.268 0.000 0.492 142 Q N 8.294 128.127 119.800 0.056 0.000 2.323 142 Q HA 0.288 4.787 4.340 -0.027 -0.175 0.257 142 Q C -0.471 175.552 176.000 0.039 0.000 1.022 142 Q CA -0.150 55.662 55.803 0.015 0.000 0.919 142 Q CB -0.008 28.729 28.738 -0.002 0.000 1.220 142 Q HN -0.110 8.503 8.270 0.099 -0.283 0.427 143 F N 2.175 122.047 119.950 -0.131 0.000 2.598 143 F HA 1.138 5.770 4.527 -0.107 -0.169 0.327 143 F C -2.411 173.276 175.800 -0.189 0.000 1.057 143 F CA -3.078 54.840 58.000 -0.136 0.000 0.957 143 F CB 3.984 42.901 39.000 -0.139 0.000 1.278 143 F HN 0.567 8.706 8.300 -0.268 0.000 0.484 144 V N -5.300 114.570 119.914 -0.073 0.000 2.864 144 V HA 0.967 4.951 4.120 -0.540 -0.188 0.314 144 V C -2.238 173.938 176.094 0.136 0.000 1.073 144 V CA -3.087 59.053 62.300 -0.266 0.000 0.956 144 V CB 3.594 35.137 31.823 -0.467 0.000 1.023 144 V HN 0.167 8.409 8.190 0.087 0.000 0.435 145 L N 3.073 124.357 121.223 0.100 0.000 2.409 145 L HA 0.877 5.621 4.340 0.252 -0.253 0.272 145 L C -2.111 174.940 176.870 0.302 0.000 0.980 145 L CA -1.571 53.418 54.840 0.248 0.000 0.826 145 L CB 3.655 45.885 42.059 0.285 0.000 1.268 145 L HN -0.267 7.886 8.230 -0.127 0.000 0.407 146 L N 6.340 127.719 121.223 0.260 0.000 2.255 146 L HA 0.466 5.100 4.340 0.227 -0.157 0.289 146 L C -1.328 175.568 176.870 0.044 0.000 1.046 146 L CA -1.025 53.921 54.840 0.177 0.000 0.816 146 L CB 0.449 42.582 42.059 0.122 0.000 1.197 146 L HN 0.498 8.862 8.230 0.223 0.000 0.427 147 K N 4.703 125.090 120.400 -0.022 0.000 2.118 147 K HA 0.260 4.663 4.320 -0.150 -0.172 0.267 147 K C 0.430 176.797 176.600 -0.388 0.000 0.991 147 K CA -1.553 54.637 56.287 -0.161 0.000 0.916 147 K CB 3.119 35.550 32.500 -0.115 0.000 1.041 147 K HN 0.118 8.379 8.250 0.018 0.000 0.455 148 G N 2.999 111.333 108.800 -0.776 0.000 2.525 148 G HA2 -0.076 2.910 3.960 -1.622 0.000 0.276 148 G HA3 -0.076 2.035 3.960 -3.082 0.000 0.276 148 G C -0.849 173.380 174.900 -1.120 0.000 1.388 148 G CA -0.969 43.082 45.100 -1.749 0.000 1.050 148 G HN 0.051 8.303 8.290 -0.661 -0.358 0.520 149 E N 0.158 119.615 120.200 -1.239 0.000 2.417 149 E HA -0.145 4.010 4.350 -0.325 0.000 0.261 149 E C -2.027 174.456 176.600 -0.196 0.000 1.000 149 E CA -0.570 55.590 56.400 -0.400 0.000 0.919 149 E CB 0.088 29.766 29.700 -0.036 0.000 0.955 149 E HN 0.104 7.189 8.360 -2.125 0.000 0.455 150 P HA -0.319 4.175 4.420 -0.073 -0.118 0.265 150 P C 0.169 177.471 177.300 0.004 0.000 1.193 150 P CA 0.496 63.560 63.100 -0.060 0.000 0.765 150 P CB 0.234 31.905 31.700 -0.048 0.000 0.823 151 G N 2.374 111.188 108.800 0.022 0.000 2.234 151 G HA2 -0.437 3.539 3.960 0.027 0.000 0.260 151 G HA3 -0.437 3.538 3.960 0.026 0.000 0.260 151 G C 0.282 175.236 174.900 0.091 0.000 0.987 151 G CA -0.001 45.123 45.100 0.040 0.000 0.625 151 G HN 0.637 9.305 8.290 0.010 -0.372 0.532 152 H N 4.248 123.343 119.070 0.043 0.000 2.848 152 H HA 0.318 4.927 4.556 0.089 0.000 0.317 152 H C -1.117 174.285 175.328 0.123 0.000 1.046 152 H CA -2.505 53.616 56.048 0.121 0.000 1.470 152 H CB 0.846 30.787 29.762 0.300 0.000 1.483 152 H HN -0.181 nan 8.280 nan 0.000 0.548 153 P HA -0.203 4.305 4.420 0.146 0.000 0.218 153 P C 0.759 178.254 177.300 0.325 0.000 1.149 153 P CA 1.820 65.039 63.100 0.198 0.000 0.817 153 P CB 0.447 32.188 31.700 0.068 0.000 0.785 154 D N -1.196 119.562 120.400 0.597 0.000 2.149 154 D HA -0.231 4.583 4.640 0.291 0.000 0.201 154 D C 1.963 178.476 176.300 0.356 0.000 0.972 154 D CA 3.032 57.282 54.000 0.416 0.000 0.835 154 D CB -0.739 40.280 40.800 0.365 0.000 0.966 154 D HN -0.352 8.604 8.370 1.014 0.023 0.476 155 A N 0.409 123.445 122.820 0.359 0.000 1.877 155 A HA -0.227 4.218 4.320 -0.007 -0.129 0.216 155 A C 2.038 179.648 177.584 0.042 0.000 1.186 155 A CA 2.857 54.911 52.037 0.028 0.000 0.620 155 A CB -0.525 18.299 19.000 -0.294 0.000 0.822 155 A HN -0.623 7.824 8.150 0.496 0.000 0.443 156 E N -2.069 118.187 120.200 0.092 0.000 2.072 156 E HA -0.339 4.023 4.350 0.019 0.000 0.191 156 E C 2.387 179.039 176.600 0.087 0.000 0.985 156 E CA 2.606 59.042 56.400 0.060 0.000 0.801 156 E CB -0.387 29.352 29.700 0.065 0.000 0.750 156 E HN -0.365 8.083 8.360 0.146 0.000 0.452 157 A N -1.058 121.855 122.820 0.155 0.000 1.897 157 A HA -0.222 4.299 4.320 0.335 0.000 0.215 157 A C 2.275 179.989 177.584 0.216 0.000 1.181 157 A CA 2.985 55.173 52.037 0.252 0.000 0.620 157 A CB -0.570 18.557 19.000 0.212 0.000 0.821 157 A HN -0.079 8.170 8.150 0.165 0.000 0.443 158 R N -2.322 118.246 120.500 0.113 0.000 2.096 158 R HA -0.323 4.041 4.340 0.040 0.000 0.235 158 R C 2.849 179.161 176.300 0.020 0.000 1.127 158 R CA 3.794 59.924 56.100 0.051 0.000 0.968 158 R CB -0.046 30.275 30.300 0.035 0.000 0.861 158 R HN -0.327 8.014 8.270 0.119 0.000 0.440 159 T N 1.643 116.202 114.554 0.008 0.000 2.777 159 T HA -0.288 4.039 4.350 -0.037 0.000 0.266 159 T C 1.565 176.223 174.700 -0.070 0.000 1.040 159 T CA 4.776 66.858 62.100 -0.030 0.000 1.141 159 T CB -0.165 68.687 68.868 -0.027 0.000 0.868 159 T HN -0.383 7.857 8.240 0.023 0.014 0.444 160 T N 4.467 118.965 114.554 -0.093 0.000 2.701 160 T HA -0.338 3.888 4.350 -0.207 0.000 0.263 160 T C 1.896 176.415 174.700 -0.301 0.000 1.040 160 T CA 5.157 67.112 62.100 -0.242 0.000 1.147 160 T CB 0.257 68.896 68.868 -0.381 0.000 0.865 160 T HN -0.475 7.736 8.240 -0.048 0.000 0.426 161 Y N -0.524 119.735 120.300 -0.068 0.000 2.475 161 Y HA -0.155 4.352 4.550 -0.071 0.000 0.289 161 Y C 1.984 177.817 175.900 -0.112 0.000 1.121 161 Y CA 3.235 61.288 58.100 -0.078 0.000 1.257 161 Y CB -0.172 38.251 38.460 -0.062 0.000 1.026 161 Y HN -0.096 8.211 8.280 0.045 0.000 0.555 162 V N 1.507 121.403 119.914 -0.029 0.000 2.343 162 V HA -0.319 3.918 4.120 -0.098 -0.176 0.247 162 V C 1.521 177.496 176.094 -0.197 0.000 1.051 162 V CA 3.183 65.409 62.300 -0.124 0.000 1.036 162 V CB -0.268 31.454 31.823 -0.168 0.000 0.654 162 V HN -0.683 7.493 8.190 -0.023 0.000 0.451 163 I N -1.682 118.748 120.570 -0.234 0.000 2.286 163 I HA -0.360 3.601 4.170 -0.348 0.000 0.245 163 I C 1.823 177.834 176.117 -0.178 0.000 1.104 163 I CA 1.627 62.764 61.300 -0.271 0.000 1.397 163 I CB -1.702 36.137 38.000 -0.269 0.000 1.072 163 I HN -0.616 7.467 8.210 -0.210 0.000 0.417 164 K N 0.688 121.001 120.400 -0.145 0.000 2.063 164 K HA -0.462 3.796 4.320 -0.103 0.000 0.208 164 K C 1.980 178.550 176.600 -0.051 0.000 1.048 164 K CA 4.118 60.345 56.287 -0.100 0.000 0.928 164 K CB -0.149 32.276 32.500 -0.126 0.000 0.713 164 K HN -0.318 7.833 8.250 -0.164 0.000 0.442 165 E N -0.991 119.190 120.200 -0.032 0.000 2.072 165 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 165 E C 2.406 178.966 176.600 -0.066 0.000 0.985 165 E CA 2.494 58.879 56.400 -0.025 0.000 0.801 165 E CB -0.444 29.247 29.700 -0.016 0.000 0.750 165 E HN -0.544 7.799 8.360 -0.030 0.000 0.452 166 L N -1.408 119.742 121.223 -0.120 0.000 1.989 166 L HA -0.456 3.804 4.340 -0.132 0.000 0.211 166 L C 2.303 179.107 176.870 -0.111 0.000 1.071 166 L CA 3.585 58.336 54.840 -0.149 0.000 0.749 166 L CB -0.321 41.590 42.059 -0.246 0.000 0.890 166 L HN -0.561 7.584 8.230 -0.141 0.000 0.431 167 N N -0.881 117.755 118.700 -0.106 0.000 2.166 167 N HA -0.205 4.668 4.740 -0.073 -0.177 0.186 167 N C 3.016 178.499 175.510 -0.044 0.000 1.019 167 N CA 2.248 55.254 53.050 -0.073 0.000 0.856 167 N CB -0.744 37.701 38.487 -0.070 0.000 0.993 167 N HN -0.099 8.208 8.380 -0.121 0.000 0.426 168 D N 0.946 121.324 120.400 -0.036 0.000 2.218 168 D HA -0.101 4.531 4.640 -0.014 0.000 0.204 168 D C 1.287 177.580 176.300 -0.012 0.000 0.976 168 D CA 2.568 56.558 54.000 -0.017 0.000 0.853 168 D CB -0.252 40.545 40.800 -0.004 0.000 0.939 168 D HN 0.051 8.395 8.370 -0.043 0.000 0.481 169 K N -3.254 117.135 120.400 -0.018 0.000 2.458 169 K HA 0.059 4.379 4.320 0.000 0.000 0.194 169 K C 0.410 177.010 176.600 0.000 0.000 1.024 169 K CA -0.044 56.239 56.287 -0.007 0.000 1.108 169 K CB 0.180 32.674 32.500 -0.010 0.000 0.846 169 K HN -0.648 7.464 8.250 -0.030 0.120 0.518 170 G N -1.276 107.520 108.800 -0.007 0.000 2.141 170 G HA2 -0.370 3.591 3.960 0.002 0.000 0.242 170 G HA3 -0.370 3.599 3.960 0.016 0.000 0.242 170 G C -0.344 174.560 174.900 0.007 0.000 0.982 170 G CA 0.147 45.250 45.100 0.005 0.000 0.662 170 G HN -0.384 7.703 8.290 -0.016 0.194 0.527 171 I N 1.858 122.412 120.570 -0.026 0.000 2.306 171 I HA 0.042 4.208 4.170 -0.007 0.000 0.288 171 I C -0.689 175.373 176.117 -0.092 0.000 1.036 171 I CA -1.033 60.230 61.300 -0.061 0.000 1.221 171 I CB -0.032 37.879 38.000 -0.150 0.000 1.385 171 I HN -0.436 7.704 8.210 -0.040 0.046 0.472 172 K N 7.937 128.309 120.400 -0.047 0.000 2.355 172 K HA -0.010 4.285 4.320 -0.043 0.000 0.270 172 K C -0.485 176.074 176.600 -0.069 0.000 1.003 172 K CA 0.928 57.190 56.287 -0.041 0.000 0.957 172 K CB 0.720 33.219 32.500 -0.002 0.000 0.939 172 K HN 0.416 8.658 8.250 -0.012 0.000 0.482 173 T N -2.124 112.412 114.554 -0.029 0.000 2.906 173 T HA 0.605 5.112 4.350 0.006 -0.153 0.295 173 T C -1.094 173.677 174.700 0.119 0.000 1.061 173 T CA -2.519 59.607 62.100 0.043 0.000 1.000 173 T CB 3.182 72.055 68.868 0.009 0.000 1.103 173 T HN -0.036 8.195 8.240 -0.015 0.000 0.486 174 E N 2.143 122.423 120.200 0.133 0.000 2.244 174 E HA 0.258 4.587 4.350 -0.035 0.000 0.260 174 E C -1.899 174.464 176.600 -0.394 0.000 0.884 174 E CA -1.583 54.785 56.400 -0.052 0.000 0.777 174 E CB 3.255 32.910 29.700 -0.074 0.000 1.197 174 E HN 0.340 8.813 8.360 0.189 0.000 0.416 175 Q N 8.039 127.506 119.800 -0.554 0.000 2.324 175 Q HA -0.127 2.857 4.340 -2.261 0.000 0.257 175 Q C -0.424 175.162 176.000 -0.691 0.000 1.080 175 Q CA 1.103 56.238 55.803 -1.114 0.000 0.907 175 Q CB -0.394 27.996 28.738 -0.581 0.000 1.274 175 Q HN 0.720 8.824 8.270 -0.277 0.000 0.434 176 L N 6.920 127.701 121.223 -0.737 0.000 2.162 176 L HA -0.014 4.088 4.340 -0.396 0.000 0.205 176 L C 0.111 176.641 176.870 -0.567 0.000 1.086 176 L CA 1.280 55.814 54.840 -0.510 0.000 0.778 176 L CB 0.738 42.542 42.059 -0.425 0.000 0.928 176 L HN 0.713 8.383 8.230 -0.933 0.000 0.446 177 Q N -5.050 114.290 119.800 -0.768 0.000 2.435 177 Q HA 0.281 4.235 4.340 -0.642 0.000 0.282 177 Q C -2.122 173.432 176.000 -0.742 0.000 1.020 177 Q CA -0.884 54.371 55.803 -0.913 0.000 0.820 177 Q CB 4.709 32.278 28.738 -1.948 0.000 1.436 177 Q HN -0.717 7.061 8.270 -0.820 0.000 0.395 178 L N 0.976 121.979 121.223 -0.366 0.000 2.588 178 L HA 0.723 5.271 4.340 -0.012 -0.216 0.263 178 L C -1.717 175.258 176.870 0.176 0.000 0.935 178 L CA -0.205 54.603 54.840 -0.054 0.000 0.891 178 L CB 2.466 44.494 42.059 -0.050 0.000 1.318 178 L HN 0.277 8.341 8.230 -0.278 0.000 0.409 179 D N 4.519 125.121 120.400 0.337 0.000 2.622 179 D HA 0.323 5.037 4.640 0.124 0.000 0.255 179 D C -2.249 174.110 176.300 0.097 0.000 1.246 179 D CA -0.591 53.535 54.000 0.211 0.000 0.795 179 D CB 3.937 44.895 40.800 0.263 0.000 1.369 179 D HN 0.182 8.807 8.370 0.424 0.000 0.425 180 T N 0.764 115.317 114.554 -0.002 0.000 2.897 180 T HA 0.026 4.492 4.350 -0.111 -0.183 0.294 180 T C -0.431 174.212 174.700 -0.095 0.000 1.004 180 T CA 0.031 62.079 62.100 -0.086 0.000 1.106 180 T CB 0.543 69.337 68.868 -0.123 0.000 0.949 180 T HN 0.142 8.383 8.240 0.001 0.000 0.520 181 A N 8.943 131.688 122.820 -0.124 0.000 2.589 181 A HA 0.369 4.631 4.320 -0.098 0.000 0.283 181 A C -0.917 176.618 177.584 -0.081 0.000 1.187 181 A CA -1.078 50.898 52.037 -0.101 0.000 0.957 181 A CB 1.593 20.536 19.000 -0.096 0.000 1.175 181 A HN 0.701 8.761 8.150 -0.149 0.000 0.532 182 M N -3.541 115.957 119.600 -0.170 0.000 2.576 182 M HA -0.402 3.902 4.480 -0.293 0.000 0.200 182 M C -0.722 175.614 176.300 0.060 0.000 0.487 182 M CA 0.713 55.929 55.300 -0.140 0.000 0.553 182 M CB -3.399 29.193 32.600 -0.013 0.000 2.042 182 M HN -0.027 8.123 8.290 -0.234 0.000 0.758 183 W N -8.907 112.402 121.300 0.015 0.000 2.303 183 W HA -0.478 4.185 4.660 0.006 0.000 0.267 183 W C -1.120 175.421 176.519 0.037 0.000 1.054 183 W CA 0.814 58.172 57.345 0.023 0.000 0.501 183 W CB -2.023 27.464 29.460 0.045 0.000 2.076 183 W HN -0.127 7.921 8.180 -0.171 0.029 1.317 184 D N -2.118 118.406 120.400 0.206 0.000 2.192 184 D HA 0.326 5.059 4.640 0.155 0.000 0.246 184 D C 0.867 177.213 176.300 0.078 0.000 1.042 184 D CA -2.058 52.023 54.000 0.136 0.000 0.847 184 D CB 2.622 43.482 40.800 0.100 0.000 1.186 184 D HN -0.573 7.842 8.370 0.146 0.043 0.461 185 T N 6.913 121.508 114.554 0.069 0.000 2.652 185 T HA -0.330 4.202 4.350 0.041 -0.157 0.267 185 T C 1.594 176.301 174.700 0.013 0.000 1.039 185 T CA 5.101 67.225 62.100 0.040 0.000 1.153 185 T CB 0.065 68.956 68.868 0.039 0.000 0.863 185 T HN 0.372 8.659 8.240 0.079 0.000 0.428 186 A N 0.872 123.699 122.820 0.012 0.000 1.902 186 A HA -0.319 3.996 4.320 -0.009 0.000 0.217 186 A C 2.174 179.742 177.584 -0.027 0.000 1.181 186 A CA 3.209 55.243 52.037 -0.006 0.000 0.623 186 A CB -0.777 18.224 19.000 0.000 0.000 0.818 186 A HN 0.143 8.369 8.150 0.023 -0.063 0.443 187 Q N -1.538 118.248 119.800 -0.024 0.000 2.124 187 Q HA -0.369 3.934 4.340 -0.062 0.000 0.202 187 Q C 2.415 178.354 176.000 -0.102 0.000 0.977 187 Q CA 3.054 58.824 55.803 -0.055 0.000 0.850 187 Q CB -0.044 28.670 28.738 -0.040 0.000 0.901 187 Q HN -0.228 8.352 8.270 -0.004 -0.313 0.429 188 A N -0.264 122.509 122.820 -0.079 0.000 1.898 188 A HA -0.371 3.846 4.320 -0.171 0.000 0.216 188 A C 1.333 178.837 177.584 -0.134 0.000 1.181 188 A CA 3.300 55.269 52.037 -0.114 0.000 0.620 188 A CB -0.757 18.216 19.000 -0.045 0.000 0.819 188 A HN -0.240 7.885 8.150 -0.042 0.000 0.442 189 K N -0.548 119.804 120.400 -0.079 0.000 2.032 189 K HA -0.345 4.080 4.320 -0.058 -0.140 0.209 189 K C 1.722 178.262 176.600 -0.101 0.000 1.048 189 K CA 3.363 59.611 56.287 -0.066 0.000 0.927 189 K CB -0.019 32.463 32.500 -0.030 0.000 0.712 189 K HN -0.095 8.121 8.250 -0.055 0.000 0.441 190 D N -1.283 119.049 120.400 -0.112 0.000 2.097 190 D HA -0.306 4.278 4.640 -0.093 0.000 0.195 190 D C 2.218 178.379 176.300 -0.231 0.000 0.989 190 D CA 3.722 57.645 54.000 -0.128 0.000 0.827 190 D CB 0.064 40.803 40.800 -0.102 0.000 0.966 190 D HN -0.431 7.881 8.370 -0.097 0.000 0.456 191 K N -0.756 119.432 120.400 -0.353 0.000 2.026 191 K HA -0.272 3.678 4.320 -0.616 0.000 0.208 191 K C 2.031 178.094 176.600 -0.895 0.000 1.048 191 K CA 2.439 58.322 56.287 -0.674 0.000 0.929 191 K CB -0.359 31.684 32.500 -0.763 0.000 0.713 191 K HN -0.463 7.609 8.250 -0.297 0.000 0.439 192 M N -0.533 118.728 119.600 -0.564 0.000 2.117 192 M HA -0.375 3.954 4.480 -0.251 0.000 0.262 192 M C 1.601 177.807 176.300 -0.156 0.000 1.065 192 M CA 2.906 58.038 55.300 -0.280 0.000 1.114 192 M CB -0.291 32.253 32.600 -0.092 0.000 1.361 192 M HN -0.068 7.958 8.290 -0.439 0.000 0.408 193 D N -0.535 119.787 120.400 -0.131 0.000 2.149 193 D HA -0.333 4.286 4.640 -0.034 0.000 0.198 193 D C 1.694 177.964 176.300 -0.050 0.000 0.990 193 D CA 3.621 57.600 54.000 -0.034 0.000 0.839 193 D CB 0.276 41.106 40.800 0.051 0.000 0.948 193 D HN -0.260 8.025 8.370 -0.142 0.000 0.460 194 A N -0.660 122.085 122.820 -0.126 0.000 1.883 194 A HA -0.221 4.088 4.320 -0.017 0.000 0.217 194 A C 2.812 180.432 177.584 0.061 0.000 1.186 194 A CA 2.816 54.809 52.037 -0.072 0.000 0.624 194 A CB -0.812 18.096 19.000 -0.154 0.000 0.822 194 A HN -0.365 7.664 8.150 -0.201 0.000 0.444 195 W N -2.102 119.156 121.300 -0.070 0.000 2.363 195 W HA -0.152 4.464 4.660 -0.074 0.000 0.296 195 W C 2.690 179.134 176.519 -0.124 0.000 1.212 195 W CA 1.340 58.633 57.345 -0.087 0.000 1.260 195 W CB -0.890 28.519 29.460 -0.084 0.000 1.131 195 W HN -0.303 7.799 8.180 -0.130 0.000 0.530 196 L N -3.480 117.752 121.223 0.014 0.000 2.465 196 L HA -0.184 4.068 4.340 -0.147 0.000 0.224 196 L C 0.866 177.645 176.870 -0.153 0.000 1.145 196 L CA 2.090 56.791 54.840 -0.231 0.000 0.834 196 L CB -0.618 41.010 42.059 -0.719 0.000 0.944 196 L HN -0.056 8.175 8.230 0.002 0.000 0.451 197 S N -2.963 112.728 115.700 -0.015 0.000 2.540 197 S HA 0.142 4.660 4.470 0.080 0.000 0.218 197 S C 0.064 174.695 174.600 0.053 0.000 0.977 197 S CA -0.206 58.029 58.200 0.058 0.000 0.918 197 S CB 0.772 64.022 63.200 0.083 0.000 0.806 197 S HN -0.404 7.721 8.310 0.003 0.188 0.496 198 G N 1.394 110.227 108.800 0.056 0.000 2.601 198 G HA2 0.492 4.479 3.960 0.045 0.000 0.317 198 G HA3 0.492 4.494 3.960 0.071 0.000 0.317 198 G C -2.476 172.435 174.900 0.019 0.000 1.246 198 G CA -1.858 43.272 45.100 0.050 0.000 1.012 198 G HN -0.744 7.410 8.290 0.060 0.172 0.494 199 P HA 0.003 4.421 4.420 -0.004 0.000 0.226 199 P C -0.174 177.108 177.300 -0.030 0.000 1.153 199 P CA 1.312 64.405 63.100 -0.012 0.000 0.777 199 P CB 0.418 32.107 31.700 -0.018 0.000 0.794 200 N N -3.219 115.451 118.700 -0.052 0.000 2.336 200 N HA 0.064 4.762 4.740 -0.071 0.000 0.189 200 N C 0.831 176.305 175.510 -0.061 0.000 1.113 200 N CA 0.503 53.505 53.050 -0.080 0.000 0.858 200 N CB -0.051 38.345 38.487 -0.152 0.000 0.970 200 N HN 0.065 8.374 8.380 -0.049 0.041 0.471 201 A N 1.290 124.092 122.820 -0.031 0.000 1.903 201 A HA -0.347 3.957 4.320 -0.027 0.000 0.219 201 A C 1.302 178.872 177.584 -0.024 0.000 1.191 201 A CA 3.539 55.559 52.037 -0.027 0.000 0.638 201 A CB -0.502 18.483 19.000 -0.025 0.000 0.823 201 A HN -0.385 7.683 8.150 -0.021 0.069 0.451 202 N N -3.435 115.258 118.700 -0.012 0.000 2.137 202 N HA -0.282 4.463 4.740 0.007 0.000 0.190 202 N C 0.969 176.479 175.510 0.001 0.000 1.017 202 N CA 2.346 55.397 53.050 0.001 0.000 0.859 202 N CB -0.906 37.584 38.487 0.006 0.000 1.002 202 N HN 0.367 8.740 8.380 -0.011 0.000 0.428 203 K N -3.317 117.073 120.400 -0.016 0.000 2.356 203 K HA 0.053 4.376 4.320 0.004 0.000 0.195 203 K C -0.502 176.089 176.600 -0.015 0.000 1.037 203 K CA -0.106 56.172 56.287 -0.015 0.000 1.014 203 K CB 0.587 33.063 32.500 -0.040 0.000 0.815 203 K HN -0.627 7.435 8.250 -0.028 0.172 0.507 204 I N 0.701 121.253 120.570 -0.030 0.000 2.598 204 I HA -0.356 3.782 4.170 -0.053 0.000 0.284 204 I C -0.621 175.506 176.117 0.015 0.000 1.140 204 I CA 1.346 62.627 61.300 -0.031 0.000 1.420 204 I CB -0.311 37.666 38.000 -0.038 0.000 1.387 204 I HN -0.923 7.221 8.210 -0.033 0.046 0.553 205 E N 6.249 126.481 120.200 0.053 0.000 2.290 205 E HA 0.136 4.540 4.350 0.090 0.000 0.197 205 E C -0.385 176.251 176.600 0.060 0.000 0.948 205 E CA 0.669 57.136 56.400 0.112 0.000 0.895 205 E CB 2.160 32.018 29.700 0.264 0.000 0.865 205 E HN 0.136 8.524 8.360 0.047 0.000 0.486 206 V N -2.653 117.302 119.914 0.068 0.000 2.808 206 V HA 0.259 4.498 4.120 -0.021 -0.132 0.308 206 V C -2.274 173.882 176.094 0.102 0.000 1.099 206 V CA -1.543 60.794 62.300 0.061 0.000 0.920 206 V CB 4.291 36.178 31.823 0.106 0.000 1.014 206 V HN -0.736 7.503 8.190 0.082 0.000 0.425 207 V N 5.715 125.688 119.914 0.099 0.000 2.370 207 V HA 0.310 4.660 4.120 0.155 -0.137 0.279 207 V C -1.168 175.038 176.094 0.185 0.000 1.029 207 V CA -1.413 60.969 62.300 0.138 0.000 0.870 207 V CB 0.754 32.638 31.823 0.102 0.000 0.984 207 V HN 0.350 8.576 8.190 0.059 0.000 0.451 208 I N 7.256 127.932 120.570 0.177 0.000 2.362 208 I HA 0.242 4.513 4.170 0.167 0.000 0.289 208 I C -2.235 173.962 176.117 0.134 0.000 0.994 208 I CA -1.123 60.256 61.300 0.132 0.000 1.158 208 I CB 1.517 39.520 38.000 0.005 0.000 1.315 208 I HN 0.578 8.907 8.210 0.199 0.000 0.451 209 A N 6.816 129.710 122.820 0.123 0.000 2.350 209 A HA 0.695 5.231 4.320 0.110 -0.150 0.324 209 A C -0.673 176.970 177.584 0.098 0.000 1.118 209 A CA -2.303 49.800 52.037 0.110 0.000 0.783 209 A CB 3.052 22.118 19.000 0.109 0.000 1.236 209 A HN 0.443 8.675 8.150 0.136 0.000 0.457 210 N N 0.698 119.454 118.700 0.094 0.000 2.512 210 N HA -0.270 4.529 4.740 0.098 0.000 0.183 210 N C -1.278 174.388 175.510 0.260 0.000 1.073 210 N CA 2.459 55.591 53.050 0.138 0.000 0.911 210 N CB 0.750 39.281 38.487 0.075 0.000 0.964 210 N HN 0.160 8.581 8.380 0.070 0.000 0.447 211 N N -4.804 114.045 118.700 0.248 0.000 2.732 211 N HA 0.348 5.341 4.740 0.133 -0.174 0.259 211 N C -0.965 174.627 175.510 0.137 0.000 1.402 211 N CA -1.225 51.945 53.050 0.200 0.000 0.829 211 N CB 2.295 40.931 38.487 0.249 0.000 1.495 211 N HN -0.851 7.624 8.380 0.212 0.032 0.511 212 D N 0.129 120.588 120.400 0.097 0.000 2.144 212 D HA -0.263 4.416 4.640 0.065 0.000 0.200 212 D C 1.491 177.840 176.300 0.083 0.000 0.978 212 D CA 3.642 57.687 54.000 0.076 0.000 0.833 212 D CB -0.168 40.670 40.800 0.063 0.000 0.961 212 D HN 0.147 8.567 8.370 0.083 0.000 0.470 213 A N -0.196 122.689 122.820 0.107 0.000 1.883 213 A HA -0.264 4.104 4.320 0.079 0.000 0.217 213 A C 1.861 179.499 177.584 0.090 0.000 1.186 213 A CA 2.907 55.004 52.037 0.100 0.000 0.624 213 A CB -0.477 18.600 19.000 0.128 0.000 0.822 213 A HN 0.155 8.378 8.150 0.121 0.000 0.444 214 M N -2.387 117.282 119.600 0.115 0.000 2.200 214 M HA -0.336 4.179 4.480 0.059 0.000 0.265 214 M C 2.143 178.478 176.300 0.058 0.000 1.066 214 M CA 3.724 59.072 55.300 0.079 0.000 1.127 214 M CB 0.095 32.749 32.600 0.089 0.000 1.379 214 M HN -0.212 8.496 8.290 0.151 -0.328 0.420 215 A N 0.292 123.152 122.820 0.067 0.000 1.908 215 A HA -0.379 3.970 4.320 0.049 0.000 0.218 215 A C 1.835 179.433 177.584 0.023 0.000 1.181 215 A CA 3.177 55.241 52.037 0.045 0.000 0.627 215 A CB -0.732 18.292 19.000 0.040 0.000 0.818 215 A HN -0.295 7.905 8.150 0.083 0.000 0.445 216 M N -2.739 116.877 119.600 0.026 0.000 2.159 216 M HA -0.432 4.052 4.480 0.007 0.000 0.263 216 M C 2.499 178.807 176.300 0.013 0.000 1.063 216 M CA 4.013 59.323 55.300 0.016 0.000 1.110 216 M CB -0.115 32.499 32.600 0.024 0.000 1.374 216 M HN 0.160 8.473 8.290 0.038 0.000 0.411 217 G N -2.018 106.791 108.800 0.015 0.000 2.418 217 G HA2 -0.356 3.606 3.960 0.003 0.000 0.217 217 G HA3 -0.356 3.758 3.960 -0.004 -0.156 0.217 217 G C 0.394 175.292 174.900 -0.004 0.000 1.158 217 G CA 1.836 46.937 45.100 0.002 0.000 0.771 217 G HN -0.487 7.817 8.290 0.023 0.000 0.545 218 A N 2.315 125.135 122.820 0.001 0.000 1.902 218 A HA -0.293 4.026 4.320 -0.002 0.000 0.217 218 A C 1.862 179.451 177.584 0.009 0.000 1.181 218 A CA 2.653 54.695 52.037 0.008 0.000 0.623 218 A CB -0.588 18.433 19.000 0.035 0.000 0.818 218 A HN -0.422 7.733 8.150 0.008 0.000 0.443 219 V N -1.102 118.813 119.914 0.001 0.000 2.287 219 V HA -0.670 3.442 4.120 -0.013 0.000 0.248 219 V C 2.150 178.249 176.094 0.008 0.000 1.053 219 V CA 4.789 67.086 62.300 -0.006 0.000 1.027 219 V CB -0.185 31.629 31.823 -0.015 0.000 0.646 219 V HN -0.084 8.106 8.190 0.001 0.000 0.447 220 E N -0.790 119.417 120.200 0.011 0.000 2.051 220 E HA -0.478 3.881 4.350 0.015 0.000 0.192 220 E C 2.316 178.937 176.600 0.036 0.000 0.991 220 E CA 3.262 59.672 56.400 0.017 0.000 0.799 220 E CB -0.409 29.298 29.700 0.011 0.000 0.748 220 E HN -0.646 7.718 8.360 0.007 0.000 0.449 221 A N -0.787 122.059 122.820 0.042 0.000 1.902 221 A HA -0.202 4.186 4.320 0.114 0.000 0.217 221 A C 1.701 179.374 177.584 0.148 0.000 1.181 221 A CA 2.660 54.754 52.037 0.094 0.000 0.623 221 A CB -0.309 18.719 19.000 0.047 0.000 0.818 221 A HN -0.588 7.577 8.150 0.025 0.000 0.443 222 L N -2.100 119.168 121.223 0.075 0.000 2.042 222 L HA -0.411 3.976 4.340 0.078 0.000 0.210 222 L C 1.847 178.770 176.870 0.088 0.000 1.076 222 L CA 2.740 57.623 54.840 0.070 0.000 0.749 222 L CB -0.284 41.788 42.059 0.022 0.000 0.893 222 L HN -0.248 8.009 8.230 0.046 0.000 0.432 223 K N -0.091 120.343 120.400 0.057 0.000 2.063 223 K HA -0.304 4.038 4.320 0.035 0.000 0.208 223 K C 2.926 179.551 176.600 0.042 0.000 1.048 223 K CA 3.183 59.494 56.287 0.040 0.000 0.928 223 K CB -0.133 32.380 32.500 0.021 0.000 0.713 223 K HN -0.272 8.005 8.250 0.046 0.000 0.442 224 A N -0.280 122.569 122.820 0.047 0.000 2.019 224 A HA -0.193 4.107 4.320 -0.032 0.000 0.219 224 A C 1.928 179.461 177.584 -0.085 0.000 1.164 224 A CA 1.950 53.977 52.037 -0.017 0.000 0.644 224 A CB -0.879 18.103 19.000 -0.030 0.000 0.805 224 A HN -0.223 7.966 8.150 0.065 0.000 0.449 225 H N -2.002 117.070 119.070 0.004 0.000 2.529 225 H HA 0.128 4.688 4.556 0.008 0.000 0.277 225 H C -1.049 174.284 175.328 0.009 0.000 1.004 225 H CA -0.481 55.572 56.048 0.008 0.000 1.167 225 H CB 0.051 29.821 29.762 0.014 0.000 1.445 225 H HN 0.238 nan 8.280 nan 0.000 0.554 226 N N -1.992 116.759 118.700 0.085 0.000 2.735 226 N HA -0.386 4.379 4.740 0.042 0.000 0.248 226 N C -0.948 174.600 175.510 0.062 0.000 1.083 226 N CA 1.562 54.645 53.050 0.056 0.000 0.703 226 N CB -1.678 36.831 38.487 0.037 0.000 1.005 226 N HN -0.180 8.056 8.380 0.069 0.185 0.550 227 K N -3.219 117.224 120.400 0.071 0.000 2.758 227 K HA 0.330 4.675 4.320 0.041 0.000 0.208 227 K C -0.011 176.601 176.600 0.021 0.000 1.091 227 K CA -1.072 55.243 56.287 0.047 0.000 1.059 227 K CB 0.734 33.263 32.500 0.048 0.000 0.801 227 K HN -0.107 8.177 8.250 0.084 0.016 0.470 228 S N -1.748 113.963 115.700 0.020 0.000 2.507 228 S HA -0.181 4.284 4.470 -0.008 0.000 0.235 228 S C 1.164 175.756 174.600 -0.014 0.000 0.988 228 S CA 1.767 59.967 58.200 0.000 0.000 0.944 228 S CB -0.594 62.610 63.200 0.007 0.000 0.762 228 S HN 0.350 8.677 8.310 0.028 0.000 0.526 229 S N -0.227 115.473 115.700 0.000 0.000 2.507 229 S HA -0.058 4.424 4.470 0.021 0.000 0.235 229 S C 0.589 175.146 174.600 -0.072 0.000 0.988 229 S CA 0.712 58.914 58.200 0.004 0.000 0.944 229 S CB -0.587 62.639 63.200 0.042 0.000 0.762 229 S HN -0.114 8.161 8.310 0.012 0.043 0.526 230 I N 4.436 124.947 120.570 -0.098 0.000 2.471 230 I HA 0.107 4.136 4.170 -0.236 0.000 0.286 230 I C -1.595 174.354 176.117 -0.279 0.000 1.079 230 I CA -1.893 59.297 61.300 -0.182 0.000 1.398 230 I CB 0.015 37.958 38.000 -0.095 0.000 1.403 230 I HN -0.714 7.411 8.210 -0.059 0.049 0.530 231 P HA 0.101 4.243 4.420 -0.463 0.000 0.278 231 P C -1.979 175.109 177.300 -0.353 0.000 1.238 231 P CA -0.918 61.837 63.100 -0.575 0.000 0.794 231 P CB 0.693 31.704 31.700 -1.150 0.000 0.955 232 V N 0.217 119.897 119.914 -0.390 0.000 2.604 232 V HA 0.587 4.853 4.120 -0.070 -0.187 0.305 232 V C -0.990 174.853 176.094 -0.420 0.000 1.043 232 V CA -1.439 60.727 62.300 -0.223 0.000 0.888 232 V CB 2.744 34.492 31.823 -0.125 0.000 0.995 232 V HN 0.005 7.921 8.190 -0.457 0.000 0.429 233 F N 4.156 124.079 119.950 -0.044 0.000 2.532 233 F HA 0.734 5.412 4.527 -0.041 -0.177 0.321 233 F C -0.475 175.316 175.800 -0.014 0.000 1.089 233 F CA -1.900 56.080 58.000 -0.034 0.000 0.926 233 F CB 3.970 42.951 39.000 -0.033 0.000 1.168 233 F HN 0.442 8.868 8.300 0.209 0.000 0.459 234 G N 0.012 108.899 108.800 0.145 0.000 3.211 234 G HA2 0.410 4.575 3.960 0.106 0.000 0.262 234 G HA3 0.410 4.561 3.960 0.070 -0.149 0.262 234 G C -2.248 172.700 174.900 0.080 0.000 1.352 234 G CA -1.453 43.705 45.100 0.097 0.000 1.004 234 G HN 0.307 8.675 8.290 0.130 0.000 0.559 235 V N -1.782 118.166 119.914 0.057 0.000 2.733 235 V HA 0.356 4.488 4.120 0.020 0.000 0.306 235 V C -1.978 174.127 176.094 0.017 0.000 1.084 235 V CA -0.415 61.899 62.300 0.023 0.000 0.905 235 V CB 3.446 35.262 31.823 -0.012 0.000 1.010 235 V HN 0.079 8.284 8.190 0.069 0.026 0.424 236 D N 3.840 124.254 120.400 0.024 0.000 4.144 236 D HA -0.105 4.534 4.640 -0.000 0.000 0.171 236 D C -0.627 175.725 176.300 0.087 0.000 0.408 236 D CA 1.659 55.681 54.000 0.036 0.000 0.649 236 D CB 0.980 41.812 40.800 0.053 0.000 1.612 236 D HN 0.923 9.313 8.370 0.033 0.000 0.293 237 A N -0.319 122.523 122.820 0.037 0.000 2.739 237 A HA -0.425 3.879 4.320 -0.027 0.000 0.296 237 A C -0.651 176.968 177.584 0.059 0.000 1.488 237 A CA 0.942 52.979 52.037 -0.001 0.000 0.746 237 A CB -2.026 16.914 19.000 -0.099 0.000 1.047 237 A HN -0.394 7.895 8.150 0.024 -0.125 0.477 238 L N -2.173 119.099 121.223 0.083 0.000 2.506 238 L HA -0.117 4.288 4.340 0.108 0.000 0.281 238 L C -0.352 176.549 176.870 0.053 0.000 1.228 238 L CA -0.890 54.002 54.840 0.086 0.000 0.850 238 L CB -0.573 41.534 42.059 0.080 0.000 1.110 238 L HN -0.730 7.813 8.230 0.081 -0.265 0.496 239 P HA -0.343 4.105 4.420 0.045 0.000 0.216 239 P C 1.401 178.719 177.300 0.030 0.000 1.154 239 P CA 2.879 66.002 63.100 0.038 0.000 0.865 239 P CB 0.045 31.762 31.700 0.029 0.000 0.789 240 E N -2.773 117.443 120.200 0.027 0.000 2.110 240 E HA -0.303 4.058 4.350 0.019 0.000 0.193 240 E C 1.663 178.274 176.600 0.018 0.000 0.988 240 E CA 3.077 59.490 56.400 0.022 0.000 0.804 240 E CB -0.572 29.140 29.700 0.022 0.000 0.745 240 E HN 0.342 8.719 8.360 0.029 0.000 0.458 241 A N -0.545 122.287 122.820 0.020 0.000 1.930 241 A HA -0.244 4.079 4.320 0.005 0.000 0.217 241 A C 1.901 179.484 177.584 -0.002 0.000 1.175 241 A CA 2.822 54.864 52.037 0.009 0.000 0.627 241 A CB -0.656 18.352 19.000 0.014 0.000 0.815 241 A HN -0.728 7.340 8.150 0.028 0.099 0.443 242 L N -2.001 119.225 121.223 0.005 0.000 2.079 242 L HA -0.456 3.877 4.340 -0.012 0.000 0.210 242 L C 2.128 179.008 176.870 0.015 0.000 1.081 242 L CA 2.948 57.791 54.840 0.005 0.000 0.752 242 L CB -0.609 41.465 42.059 0.025 0.000 0.896 242 L HN -0.013 8.225 8.230 0.013 0.000 0.433 243 A N -0.976 121.855 122.820 0.018 0.000 1.933 243 A HA -0.292 4.041 4.320 0.023 0.000 0.218 243 A C 2.090 179.680 177.584 0.010 0.000 1.175 243 A CA 3.076 55.123 52.037 0.018 0.000 0.628 243 A CB -0.860 18.151 19.000 0.018 0.000 0.814 243 A HN -0.488 7.662 8.150 0.019 0.011 0.444 244 L N -2.553 118.670 121.223 0.001 0.000 2.240 244 L HA -0.199 4.138 4.340 -0.006 0.000 0.211 244 L C 2.923 179.780 176.870 -0.021 0.000 1.106 244 L CA 2.136 56.969 54.840 -0.010 0.000 0.793 244 L CB -0.183 41.866 42.059 -0.017 0.000 0.927 244 L HN -0.726 7.397 8.230 0.001 0.108 0.446 245 V N 1.653 121.554 119.914 -0.022 0.000 2.295 245 V HA -0.465 3.851 4.120 -0.048 -0.225 0.246 245 V C 2.826 178.922 176.094 0.003 0.000 1.049 245 V CA 3.910 66.195 62.300 -0.025 0.000 1.024 245 V CB -0.236 31.571 31.823 -0.026 0.000 0.648 245 V HN 0.032 8.211 8.190 -0.019 0.000 0.447 246 K N -0.222 120.189 120.400 0.017 0.000 2.097 246 K HA -0.336 4.007 4.320 0.039 0.000 0.206 246 K C 0.975 177.589 176.600 0.025 0.000 1.049 246 K CA 3.079 59.383 56.287 0.030 0.000 0.933 246 K CB 0.079 32.599 32.500 0.034 0.000 0.717 246 K HN -0.284 7.976 8.250 0.015 0.000 0.442 247 S N -5.875 109.834 115.700 0.015 0.000 2.527 247 S HA 0.065 4.546 4.470 0.019 0.000 0.222 247 S C 1.111 175.718 174.600 0.013 0.000 0.985 247 S CA 0.339 58.547 58.200 0.014 0.000 0.921 247 S CB 0.335 63.541 63.200 0.009 0.000 0.772 247 S HN -0.519 7.781 8.310 0.011 0.017 0.529 248 G N 1.717 110.522 108.800 0.007 0.000 2.176 248 G HA2 -0.329 3.636 3.960 0.008 0.000 0.253 248 G HA3 -0.329 3.644 3.960 0.021 0.000 0.253 248 G C -0.245 174.643 174.900 -0.019 0.000 0.979 248 G CA 0.180 45.284 45.100 0.006 0.000 0.641 248 G HN -0.443 7.677 8.290 0.004 0.172 0.530 249 A N 0.011 122.815 122.820 -0.026 0.000 2.014 249 A HA -0.098 4.201 4.320 -0.036 0.000 0.218 249 A C -0.365 177.169 177.584 -0.083 0.000 1.163 249 A CA 1.073 53.086 52.037 -0.041 0.000 0.652 249 A CB 0.787 19.772 19.000 -0.025 0.000 0.808 249 A HN -0.536 7.537 8.150 -0.018 0.066 0.449 250 L N -2.720 118.443 121.223 -0.101 0.000 2.341 250 L HA 0.146 4.367 4.340 -0.197 0.000 0.278 250 L C -0.463 176.260 176.870 -0.246 0.000 1.005 250 L CA -0.981 53.758 54.840 -0.169 0.000 0.818 250 L CB 2.459 44.444 42.059 -0.123 0.000 1.259 250 L HN -0.734 7.356 8.230 -0.077 0.093 0.418 251 A N 2.942 125.477 122.820 -0.476 0.000 1.970 251 A HA 0.041 4.159 4.320 -0.335 0.000 0.216 251 A C -0.631 176.619 177.584 -0.558 0.000 1.170 251 A CA 1.373 53.047 52.037 -0.604 0.000 0.645 251 A CB 0.870 19.217 19.000 -1.088 0.000 0.816 251 A HN 0.499 8.308 8.150 -0.569 0.000 0.447 252 G N -6.915 101.609 108.800 -0.460 0.000 2.466 252 G HA2 0.274 4.274 3.960 -0.081 0.000 0.291 252 G HA3 0.274 4.270 3.960 0.062 0.000 0.291 252 G C -3.069 171.853 174.900 0.037 0.000 1.460 252 G CA 0.188 45.236 45.100 -0.087 0.000 0.791 252 G HN -0.953 7.017 8.290 -0.533 0.000 0.505 253 T N -1.129 113.455 114.554 0.050 0.000 2.645 253 T HA 0.539 5.143 4.350 0.084 -0.204 0.300 253 T C -2.231 172.476 174.700 0.012 0.000 1.210 253 T CA -2.490 59.632 62.100 0.036 0.000 1.034 253 T CB 2.152 71.014 68.868 -0.009 0.000 1.537 253 T HN 0.445 8.706 8.240 0.035 0.000 0.492 254 V N 1.070 120.984 119.914 0.000 0.000 2.612 254 V HA 0.323 4.584 4.120 0.005 -0.138 0.301 254 V C -1.785 174.342 176.094 0.054 0.000 1.059 254 V CA -0.961 61.350 62.300 0.019 0.000 0.886 254 V CB 3.361 35.190 31.823 0.011 0.000 1.007 254 V HN 0.301 8.494 8.190 0.006 0.000 0.426 255 L N 7.617 128.857 121.223 0.028 0.000 2.534 255 L HA -0.056 4.472 4.340 0.049 -0.158 0.271 255 L C -2.328 174.670 176.870 0.212 0.000 1.178 255 L CA 0.050 54.940 54.840 0.084 0.000 0.907 255 L CB 0.513 42.638 42.059 0.109 0.000 1.164 255 L HN 0.484 8.700 8.230 -0.023 0.000 0.482 256 N N 6.345 125.146 118.700 0.169 0.000 2.485 256 N HA 0.069 4.713 4.740 -0.160 0.000 0.243 256 N C -1.599 174.013 175.510 0.171 0.000 0.987 256 N CA -1.315 51.755 53.050 0.033 0.000 0.940 256 N CB 1.444 39.827 38.487 -0.173 0.000 1.122 256 N HN -0.318 8.028 8.380 0.149 0.124 0.509 257 D N 7.188 127.627 120.400 0.065 0.000 2.508 257 D HA -0.028 4.710 4.640 0.163 0.000 0.224 257 D C -0.199 176.192 176.300 0.152 0.000 1.171 257 D CA -1.108 52.967 54.000 0.125 0.000 1.006 257 D CB -0.469 40.379 40.800 0.080 0.000 1.073 257 D HN 0.395 8.712 8.370 -0.089 0.000 0.513 258 A N 6.504 129.445 122.820 0.201 0.000 1.908 258 A HA -0.400 3.950 4.320 0.049 0.000 0.218 258 A C 1.434 179.014 177.584 -0.008 0.000 1.181 258 A CA 3.290 55.350 52.037 0.038 0.000 0.627 258 A CB -0.132 18.778 19.000 -0.150 0.000 0.818 258 A HN -0.085 8.184 8.150 0.254 0.033 0.445 259 N N -1.922 116.794 118.700 0.028 0.000 2.084 259 N HA -0.309 4.423 4.740 -0.014 0.000 0.190 259 N C 2.007 177.543 175.510 0.044 0.000 1.030 259 N CA 3.103 56.165 53.050 0.020 0.000 0.849 259 N CB -0.449 38.065 38.487 0.045 0.000 1.012 259 N HN -0.129 8.340 8.380 0.058 -0.054 0.423 260 N N 0.662 119.415 118.700 0.088 0.000 2.300 260 N HA -0.138 4.744 4.740 0.238 0.000 0.179 260 N C 2.182 177.667 175.510 -0.041 0.000 1.016 260 N CA 2.843 55.986 53.050 0.155 0.000 0.876 260 N CB 0.127 38.774 38.487 0.266 0.000 0.979 260 N HN -0.340 8.388 8.380 0.092 -0.294 0.432 261 Q N 0.651 120.413 119.800 -0.063 0.000 2.084 261 Q HA -0.354 3.839 4.340 -0.245 0.000 0.202 261 Q C 2.211 178.075 176.000 -0.227 0.000 0.978 261 Q CA 3.410 59.121 55.803 -0.153 0.000 0.844 261 Q CB -0.097 28.629 28.738 -0.020 0.000 0.898 261 Q HN -0.070 8.198 8.270 -0.003 0.000 0.426 262 A N -0.455 122.267 122.820 -0.162 0.000 1.902 262 A HA -0.300 3.845 4.320 -0.292 0.000 0.217 262 A C 1.558 179.045 177.584 -0.162 0.000 1.181 262 A CA 3.224 55.140 52.037 -0.202 0.000 0.623 262 A CB -0.819 18.095 19.000 -0.143 0.000 0.818 262 A HN 0.110 8.196 8.150 -0.108 0.000 0.443 263 K N -1.189 119.163 120.400 -0.079 0.000 2.026 263 K HA -0.327 4.164 4.320 0.082 -0.121 0.208 263 K C 1.727 178.277 176.600 -0.083 0.000 1.048 263 K CA 3.127 59.447 56.287 0.056 0.000 0.929 263 K CB 0.037 32.684 32.500 0.246 0.000 0.713 263 K HN -0.447 7.769 8.250 -0.057 0.000 0.439 264 A N -1.916 120.545 122.820 -0.598 0.000 1.902 264 A HA -0.243 3.073 4.320 -1.674 0.000 0.217 264 A C 1.946 179.129 177.584 -0.668 0.000 1.181 264 A CA 3.260 54.528 52.037 -1.282 0.000 0.623 264 A CB -0.673 17.240 19.000 -1.812 0.000 0.818 264 A HN -0.117 7.691 8.150 -0.571 0.000 0.443 265 T N 2.267 116.520 114.554 -0.502 0.000 2.684 265 T HA -0.439 3.657 4.350 -0.423 0.000 0.267 265 T C 1.617 176.116 174.700 -0.335 0.000 1.036 265 T CA 5.383 67.214 62.100 -0.448 0.000 1.148 265 T CB -0.044 68.426 68.868 -0.662 0.000 0.863 265 T HN -0.433 7.511 8.240 -0.494 0.000 0.436 266 F N 2.199 121.951 119.950 -0.330 0.000 2.102 266 F HA -0.464 3.932 4.527 -0.217 0.000 0.298 266 F C 0.846 176.552 175.800 -0.156 0.000 1.105 266 F CA 3.819 61.691 58.000 -0.214 0.000 1.239 266 F CB 0.256 39.160 39.000 -0.160 0.000 0.991 266 F HN -0.153 8.087 8.300 -0.100 0.000 0.474 267 D N -0.355 120.004 120.400 -0.069 0.000 2.104 267 D HA -0.315 4.304 4.640 -0.035 0.000 0.194 267 D C 2.558 178.734 176.300 -0.207 0.000 0.994 267 D CA 3.685 57.657 54.000 -0.047 0.000 0.830 267 D CB -0.495 40.447 40.800 0.236 0.000 0.959 267 D HN -0.033 8.355 8.370 0.030 0.000 0.452 268 L N -0.545 120.512 121.223 -0.276 0.000 2.017 268 L HA -0.128 4.249 4.340 -0.282 -0.207 0.208 268 L C 2.355 179.016 176.870 -0.348 0.000 1.073 268 L CA 3.043 57.689 54.840 -0.324 0.000 0.745 268 L CB -0.464 41.365 42.059 -0.384 0.000 0.894 268 L HN -0.188 7.856 8.230 -0.310 0.000 0.432 269 A N -1.461 121.135 122.820 -0.373 0.000 1.902 269 A HA -0.401 3.751 4.320 -0.279 0.000 0.217 269 A C 1.788 179.145 177.584 -0.378 0.000 1.181 269 A CA 3.417 55.245 52.037 -0.349 0.000 0.623 269 A CB -0.793 17.996 19.000 -0.350 0.000 0.818 269 A HN -0.058 7.860 8.150 -0.386 0.000 0.443 270 K N -1.630 118.450 120.400 -0.533 0.000 2.025 270 K HA -0.293 3.791 4.320 -0.393 0.000 0.207 270 K C 2.136 178.588 176.600 -0.247 0.000 1.049 270 K CA 2.630 58.650 56.287 -0.444 0.000 0.933 270 K CB -0.325 31.809 32.500 -0.611 0.000 0.714 270 K HN -0.047 7.804 8.250 -0.664 0.000 0.438 271 N N -0.187 118.382 118.700 -0.219 0.000 2.069 271 N HA -0.322 4.349 4.740 -0.114 0.000 0.191 271 N C 2.291 177.713 175.510 -0.147 0.000 1.031 271 N CA 3.484 56.444 53.050 -0.149 0.000 0.852 271 N CB 0.151 38.559 38.487 -0.132 0.000 1.018 271 N HN -0.465 7.766 8.380 -0.249 0.000 0.423 272 L N -0.960 120.150 121.223 -0.188 0.000 2.093 272 L HA -0.183 4.078 4.340 -0.131 0.000 0.208 272 L C 2.833 179.638 176.870 -0.109 0.000 1.085 272 L CA 2.915 57.663 54.840 -0.153 0.000 0.755 272 L CB -0.114 41.834 42.059 -0.185 0.000 0.904 272 L HN -0.049 8.044 8.230 -0.230 0.000 0.435 273 A N -0.581 122.164 122.820 -0.126 0.000 1.940 273 A HA -0.313 4.153 4.320 -0.071 -0.188 0.219 273 A C 1.227 178.771 177.584 -0.067 0.000 1.176 273 A CA 2.671 54.653 52.037 -0.091 0.000 0.631 273 A CB -0.453 18.480 19.000 -0.111 0.000 0.814 273 A HN 0.091 8.144 8.150 -0.162 0.000 0.446 274 D N -4.465 115.890 120.400 -0.076 0.000 2.363 274 D HA -0.146 4.468 4.640 -0.043 0.000 0.226 274 D C 1.141 177.416 176.300 -0.043 0.000 1.020 274 D CA 0.849 54.817 54.000 -0.053 0.000 0.892 274 D CB 0.211 40.978 40.800 -0.054 0.000 0.900 274 D HN -0.603 7.598 8.370 -0.097 0.111 0.531 275 G N -1.783 106.989 108.800 -0.047 0.000 2.143 275 G HA2 -0.475 3.464 3.960 -0.035 0.000 0.248 275 G HA3 -0.475 3.469 3.960 -0.026 0.000 0.248 275 G C -0.366 174.513 174.900 -0.035 0.000 0.991 275 G CA 0.284 45.363 45.100 -0.035 0.000 0.689 275 G HN -0.468 7.590 8.290 -0.058 0.197 0.522 276 K N 0.229 120.600 120.400 -0.047 0.000 2.148 276 K HA 0.191 4.493 4.320 -0.030 0.000 0.239 276 K C 0.165 176.735 176.600 -0.050 0.000 1.018 276 K CA -1.146 55.116 56.287 -0.042 0.000 0.923 276 K CB 1.368 33.842 32.500 -0.044 0.000 1.117 276 K HN -0.411 7.756 8.250 -0.059 0.048 0.477 277 G N -2.650 106.129 108.800 -0.035 0.000 2.432 277 G HA2 -0.028 3.917 3.960 -0.025 0.000 0.239 277 G HA3 -0.028 4.027 3.960 -0.016 -0.104 0.239 277 G C 0.411 175.262 174.900 -0.080 0.000 1.291 277 G CA -0.511 44.568 45.100 -0.035 0.000 0.863 277 G HN -0.326 8.124 8.290 -0.025 -0.176 0.560 278 A N 4.658 127.392 122.820 -0.144 0.000 1.940 278 A HA -0.308 3.829 4.320 -0.306 0.000 0.219 278 A C 1.038 178.537 177.584 -0.141 0.000 1.176 278 A CA 2.724 54.593 52.037 -0.281 0.000 0.631 278 A CB 0.026 18.633 19.000 -0.656 0.000 0.814 278 A HN 0.781 8.865 8.150 -0.110 0.000 0.446 279 A N -6.452 116.345 122.820 -0.038 0.000 2.345 279 A HA 0.121 4.507 4.320 0.110 0.000 0.225 279 A C -0.927 176.683 177.584 0.043 0.000 1.243 279 A CA -0.916 51.156 52.037 0.058 0.000 0.875 279 A CB -0.087 18.973 19.000 0.100 0.000 0.929 279 A HN -0.043 8.064 8.150 -0.034 0.023 0.502 280 D N 0.217 120.619 120.400 0.004 0.000 2.493 280 D HA -0.210 4.430 4.640 0.001 0.000 0.240 280 D C 1.179 177.482 176.300 0.004 0.000 1.142 280 D CA 2.115 56.115 54.000 -0.001 0.000 0.872 280 D CB 0.044 40.835 40.800 -0.014 0.000 1.173 280 D HN -0.653 7.537 8.370 -0.016 0.170 0.467 281 G N 3.893 112.690 108.800 -0.006 0.000 2.162 281 G HA2 -0.311 3.637 3.960 -0.020 0.000 0.260 281 G HA3 -0.311 3.645 3.960 -0.006 0.000 0.260 281 G C -0.825 174.058 174.900 -0.028 0.000 0.976 281 G CA 0.508 45.600 45.100 -0.013 0.000 0.655 281 G HN 0.364 8.649 8.290 -0.009 0.000 0.533 282 T N -3.673 110.859 114.554 -0.037 0.000 2.864 282 T HA 0.299 4.550 4.350 -0.164 0.000 0.289 282 T C -1.325 173.263 174.700 -0.187 0.000 1.082 282 T CA -2.638 59.386 62.100 -0.127 0.000 1.009 282 T CB 2.348 71.199 68.868 -0.028 0.000 1.234 282 T HN -0.596 7.581 8.240 -0.017 0.053 0.526 283 N N -1.445 117.021 118.700 -0.390 0.000 2.251 283 N HA 0.272 4.903 4.740 -0.181 0.000 0.217 283 N C -0.207 175.125 175.510 -0.297 0.000 1.124 283 N CA -0.092 52.767 53.050 -0.317 0.000 0.843 283 N CB 0.079 38.378 38.487 -0.314 0.000 1.024 283 N HN 0.317 8.356 8.380 -0.567 0.000 0.501 284 W N 1.287 122.576 121.300 -0.017 0.000 2.210 284 W HA -0.176 4.477 4.660 -0.012 0.000 0.330 284 W C -0.169 176.348 176.519 -0.004 0.000 1.334 284 W CA -0.160 57.176 57.345 -0.015 0.000 1.227 284 W CB 0.450 29.892 29.460 -0.029 0.000 1.178 284 W HN -0.685 7.259 8.180 -0.287 0.064 0.560 285 K N 3.741 124.301 120.400 0.267 0.000 2.268 285 K HA 0.198 4.599 4.320 0.134 0.000 0.276 285 K C -1.358 175.341 176.600 0.166 0.000 1.080 285 K CA -0.856 55.530 56.287 0.165 0.000 0.910 285 K CB -0.054 32.515 32.500 0.116 0.000 1.163 285 K HN 0.233 8.677 8.250 0.323 0.000 0.465 286 I N 5.625 126.284 120.570 0.148 0.000 2.307 286 I HA 0.085 4.496 4.170 0.144 -0.155 0.289 286 I C -0.782 175.409 176.117 0.123 0.000 1.021 286 I CA -0.703 60.684 61.300 0.146 0.000 1.224 286 I CB 0.620 38.724 38.000 0.173 0.000 1.376 286 I HN 0.363 8.656 8.210 0.139 0.000 0.470 287 D N 9.208 129.675 120.400 0.111 0.000 2.427 287 D HA 0.101 4.788 4.640 0.078 0.000 0.226 287 D C -0.416 175.932 176.300 0.080 0.000 1.076 287 D CA -1.621 52.431 54.000 0.086 0.000 0.849 287 D CB 0.866 41.712 40.800 0.078 0.000 1.052 287 D HN 0.228 8.668 8.370 0.118 0.000 0.515 288 N N 6.581 125.318 118.700 0.063 0.000 2.705 288 N HA -0.490 4.265 4.740 0.024 0.000 0.255 288 N C -0.491 175.038 175.510 0.032 0.000 1.008 288 N CA 0.997 54.069 53.050 0.036 0.000 0.742 288 N CB -0.559 37.943 38.487 0.026 0.000 0.906 288 N HN 0.457 8.874 8.380 0.062 0.000 0.541 289 K N -10.374 110.059 120.400 0.056 0.000 3.512 289 K HA -0.440 3.976 4.320 0.160 0.000 0.309 289 K C -1.930 174.786 176.600 0.192 0.000 1.350 289 K CA 1.310 57.621 56.287 0.041 0.000 0.960 289 K CB -0.862 31.526 32.500 -0.186 0.000 1.290 289 K HN 0.145 8.448 8.250 0.089 0.000 0.454 290 V N -1.441 118.578 119.914 0.176 0.000 2.604 290 V HA 0.779 5.253 4.120 0.238 -0.212 0.305 290 V C -0.787 175.388 176.094 0.135 0.000 1.043 290 V CA -2.126 60.292 62.300 0.196 0.000 0.888 290 V CB 3.000 34.947 31.823 0.207 0.000 0.995 290 V HN -0.670 7.439 8.190 0.145 0.169 0.429 291 V N 6.928 126.882 119.914 0.068 0.000 2.435 291 V HA 0.365 4.528 4.120 0.071 0.000 0.290 291 V C -1.085 175.005 176.094 -0.006 0.000 1.030 291 V CA -2.159 60.152 62.300 0.018 0.000 0.881 291 V CB 1.538 33.300 31.823 -0.101 0.000 0.983 291 V HN 0.505 8.720 8.190 0.041 0.000 0.445 292 R N 6.156 126.681 120.500 0.042 0.000 2.437 292 R HA 0.392 4.836 4.340 0.004 -0.101 0.310 292 R C -0.981 175.335 176.300 0.027 0.000 0.955 292 R CA -1.444 54.676 56.100 0.034 0.000 0.851 292 R CB 2.167 32.512 30.300 0.075 0.000 1.161 292 R HN 0.366 8.678 8.270 0.070 0.000 0.446 293 V N 6.548 126.444 119.914 -0.030 0.000 2.407 293 V HA 0.336 4.490 4.120 0.056 0.000 0.278 293 V C -1.633 174.410 176.094 -0.085 0.000 1.037 293 V CA -2.723 59.567 62.300 -0.017 0.000 0.900 293 V CB 1.010 32.812 31.823 -0.035 0.000 0.983 293 V HN 0.229 8.379 8.190 -0.066 0.000 0.459 294 P HA -0.009 4.588 4.420 0.041 -0.153 0.269 294 P C -1.165 176.112 177.300 -0.039 0.000 1.215 294 P CA -0.639 62.471 63.100 0.017 0.000 0.780 294 P CB 0.651 32.399 31.700 0.079 0.000 0.898 295 Y N -0.593 119.748 120.300 0.069 0.000 2.354 295 Y HA 0.413 5.195 4.550 0.073 -0.188 0.322 295 Y C 0.341 176.294 175.900 0.088 0.000 1.253 295 Y CA -0.424 57.716 58.100 0.067 0.000 1.272 295 Y CB 2.349 40.829 38.460 0.034 0.000 1.255 295 Y HN -0.159 8.624 8.280 0.263 -0.345 0.500 296 V N 2.135 122.219 119.914 0.282 0.000 2.668 296 V HA 0.190 4.440 4.120 0.217 0.000 0.304 296 V C -0.927 175.268 176.094 0.168 0.000 1.071 296 V CA -1.073 61.371 62.300 0.241 0.000 0.894 296 V CB 3.652 35.685 31.823 0.349 0.000 1.008 296 V HN -0.051 8.316 8.190 0.294 0.000 0.425 297 G N 4.389 113.275 108.800 0.144 0.000 2.441 297 G HA2 0.152 4.150 3.960 0.064 0.000 0.243 297 G HA3 0.152 4.178 3.960 0.111 0.000 0.243 297 G C -0.902 174.035 174.900 0.062 0.000 1.281 297 G CA -0.073 45.084 45.100 0.095 0.000 0.854 297 G HN 0.180 8.562 8.290 0.154 0.000 0.560 298 V N 4.750 124.646 119.914 -0.029 0.000 2.638 298 V HA 0.422 4.689 4.120 -0.056 -0.181 0.306 298 V C -1.656 174.446 176.094 0.013 0.000 1.052 298 V CA -1.766 60.458 62.300 -0.126 0.000 0.885 298 V CB 2.579 34.114 31.823 -0.481 0.000 0.999 298 V HN 0.149 8.337 8.190 -0.004 0.000 0.424 299 D N 5.883 126.341 120.400 0.096 0.000 2.812 299 D HA 0.421 5.093 4.640 0.053 0.000 0.318 299 D C 0.498 176.878 176.300 0.133 0.000 1.234 299 D CA -1.759 52.315 54.000 0.122 0.000 0.989 299 D CB 1.789 42.755 40.800 0.275 0.000 1.442 299 D HN 0.329 9.095 8.370 0.132 -0.316 0.537 300 K N -1.940 118.542 120.400 0.138 0.000 2.209 300 K HA -0.298 4.084 4.320 0.103 0.000 0.204 300 K C 1.665 178.344 176.600 0.132 0.000 1.048 300 K CA 3.377 59.737 56.287 0.121 0.000 0.940 300 K CB -0.157 32.411 32.500 0.112 0.000 0.729 300 K HN 0.440 8.779 8.250 0.148 0.000 0.451 301 D N -0.730 119.761 120.400 0.151 0.000 2.219 301 D HA -0.150 4.552 4.640 0.103 0.000 0.205 301 D C 1.066 177.447 176.300 0.134 0.000 0.970 301 D CA 2.675 56.750 54.000 0.125 0.000 0.851 301 D CB -0.234 40.634 40.800 0.112 0.000 0.943 301 D HN -0.255 8.360 8.370 0.178 -0.138 0.488 302 N N -3.862 114.950 118.700 0.187 0.000 2.177 302 N HA 0.066 4.904 4.740 0.163 0.000 0.218 302 N C 1.335 177.046 175.510 0.334 0.000 1.182 302 N CA -0.794 52.395 53.050 0.232 0.000 0.882 302 N CB 0.004 38.659 38.487 0.281 0.000 1.052 302 N HN -0.678 7.925 8.380 0.199 -0.103 0.519 303 L N 2.768 124.158 121.223 0.278 0.000 2.079 303 L HA -0.300 4.299 4.340 0.432 0.000 0.210 303 L C 0.610 177.674 176.870 0.324 0.000 1.081 303 L CA 3.152 58.188 54.840 0.328 0.000 0.752 303 L CB -0.383 41.778 42.059 0.169 0.000 0.896 303 L HN -0.547 7.808 8.230 0.208 0.000 0.433 304 A N -3.275 119.651 122.820 0.177 0.000 2.209 304 A HA -0.195 4.192 4.320 0.111 0.000 0.212 304 A C 1.050 178.657 177.584 0.039 0.000 1.158 304 A CA 2.073 54.171 52.037 0.102 0.000 0.742 304 A CB -1.078 17.959 19.000 0.063 0.000 0.790 304 A HN 0.207 8.426 8.150 0.155 0.023 0.472 305 E N -2.319 117.867 120.200 -0.023 0.000 2.482 305 E HA -0.148 4.085 4.350 -0.195 0.000 0.196 305 E C -0.057 176.212 176.600 -0.551 0.000 1.047 305 E CA 0.466 56.692 56.400 -0.289 0.000 0.869 305 E CB 0.288 29.728 29.700 -0.432 0.000 0.836 305 E HN -0.387 7.964 8.360 0.056 0.043 0.520 306 F N 0.000 119.974 119.950 0.039 0.000 2.286 306 F HA 0.000 4.552 4.527 0.042 0.000 0.279 306 F CA 0.000 58.025 58.000 0.041 0.000 1.383 306 F CB 0.000 39.031 39.000 0.051 0.000 1.145 306 F HN 0.000 8.285 8.300 0.080 0.064 0.574