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 3dsv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHGRLKXXXX XXXXEAKRLE REQKLKLYQS ATQAVFQKRQ AGELDESVLE DATA SEQUENCE LTSQILGANP DFATLWNCRR EVLQHLETEK SPEESAALVK AELGFLESCL DATA SEQUENCE RVNPKSYGTW HHRCWLLSRL PEPNWARELE LCARFLEADE RNFHCWDYRR DATA SEQUENCE FVAAQAAVAP AEELAFTDSL ITRNFSNYSS WHYRSCLLPQ LHPQPXXXXX DATA SEQUENCE XRLPENVLLK ELELVQNAFF TDPNDQSAWF YHRWLLGAGS GRCELSVEKS DATA SEQUENCE TVLQSELESC KELQELEPEN KWCLLTIILL MRALDPLLYE KETLQYFSTL DATA SEQUENCE KAVDPMRAAY LDDLRSKFLL ENSVLKMEY 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 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.106 176.300 -0.324 0.000 1.140 1 M CA 0.000 55.218 55.300 -0.138 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 2 H N -1.261 117.826 119.070 0.028 0.000 2.690 2 H HA 0.620 5.026 4.556 -0.249 0.000 0.368 2 H C 0.856 176.199 175.328 0.025 0.000 1.150 2 H CA 0.435 56.501 56.048 0.030 0.000 1.174 2 H CB 1.799 31.585 29.762 0.040 0.000 1.684 2 H HN 0.958 9.238 8.280 -0.000 0.000 0.538 3 G N 1.887 110.771 108.800 0.140 0.000 2.225 3 G HA2 -0.318 3.492 3.960 -0.249 0.000 0.267 3 G HA3 -0.318 3.492 3.960 -0.249 0.000 0.267 3 G C -0.213 174.718 174.900 0.052 0.000 1.024 3 G CA -0.207 44.945 45.100 0.087 0.000 0.784 3 G HN 0.555 8.845 8.290 -0.000 0.000 0.507 4 R N 0.001 120.521 120.500 0.034 0.000 2.296 4 R HA 0.290 4.481 4.340 -0.249 0.000 0.327 4 R C 0.453 176.760 176.300 0.012 0.000 1.137 4 R CA -0.866 55.244 56.100 0.017 0.000 1.020 4 R CB 0.849 31.149 30.300 0.001 0.000 1.110 4 R HN 0.187 8.457 8.270 -0.000 0.000 0.499 5 L N 3.221 124.454 121.223 0.015 0.000 2.525 5 L HA 0.039 4.229 4.340 -0.249 0.000 0.278 5 L C 0.723 177.597 176.870 0.007 0.000 1.218 5 L CA 1.044 55.892 54.840 0.013 0.000 0.878 5 L CB 0.287 42.355 42.059 0.014 0.000 1.127 5 L HN 0.513 8.743 8.230 -0.000 0.000 0.492 16 A N 1.368 124.186 122.820 -0.003 0.000 1.917 16 A HA 0.042 4.212 4.320 -0.249 0.000 0.219 16 A C 2.683 180.265 177.584 -0.003 0.000 1.182 16 A CA 4.149 56.184 52.037 -0.003 0.000 0.633 16 A CB -1.027 17.972 19.000 -0.002 0.000 0.819 16 A HN 1.288 9.438 8.150 -0.000 0.000 0.448 17 K N -1.145 119.253 120.400 -0.004 0.000 2.025 17 K HA -0.040 4.130 4.320 -0.249 0.000 0.207 17 K C 2.447 179.042 176.600 -0.008 0.000 1.049 17 K CA 2.250 58.534 56.287 -0.005 0.000 0.933 17 K CB -1.416 31.081 32.500 -0.005 0.000 0.714 17 K HN 0.765 9.015 8.250 -0.000 0.000 0.438 18 R N 0.123 120.618 120.500 -0.008 0.000 2.189 18 R HA 0.402 4.592 4.340 -0.249 0.000 0.218 18 R C 2.769 179.063 176.300 -0.010 0.000 1.074 18 R CA 1.776 57.870 56.100 -0.010 0.000 0.991 18 R CB -1.604 28.690 30.300 -0.009 0.000 0.883 18 R HN 0.870 9.140 8.270 -0.000 0.000 0.457 19 L N -0.658 120.561 121.223 -0.007 0.000 2.354 19 L HA 0.435 4.625 4.340 -0.249 0.000 0.212 19 L C 2.616 179.483 176.870 -0.005 0.000 1.091 19 L CA 1.765 56.601 54.840 -0.006 0.000 0.828 19 L CB -1.491 40.566 42.059 -0.004 0.000 0.973 19 L HN 0.651 8.881 8.230 -0.000 0.000 0.461 20 E N 1.442 121.639 120.200 -0.005 0.000 2.058 20 E HA -0.304 3.897 4.350 -0.249 0.000 0.194 20 E C 2.326 178.922 176.600 -0.006 0.000 0.997 20 E CA 1.750 58.148 56.400 -0.004 0.000 0.801 20 E CB -0.747 28.951 29.700 -0.003 0.000 0.746 20 E HN 0.916 9.276 8.360 -0.000 0.000 0.450 21 R N -0.515 119.978 120.500 -0.012 0.000 2.193 21 R HA 0.136 4.327 4.340 -0.249 0.000 0.213 21 R C 2.360 178.646 176.300 -0.023 0.000 1.055 21 R CA 1.648 57.735 56.100 -0.021 0.000 0.995 21 R CB -0.373 29.909 30.300 -0.030 0.000 0.893 21 R HN 0.421 8.691 8.270 -0.000 0.000 0.459 22 E N 1.302 121.493 120.200 -0.015 0.000 2.268 22 E HA -0.171 4.029 4.350 -0.249 0.000 0.195 22 E C 1.807 178.407 176.600 -0.001 0.000 0.995 22 E CA 1.352 57.746 56.400 -0.010 0.000 0.836 22 E CB -0.347 29.349 29.700 -0.007 0.000 0.763 22 E HN 0.550 8.910 8.360 -0.000 0.000 0.491 23 Q N -0.348 119.453 119.800 0.001 0.000 2.165 23 Q HA 0.053 4.244 4.340 -0.249 0.000 0.197 23 Q C 2.248 178.259 176.000 0.018 0.000 0.952 23 Q CA 1.046 56.854 55.803 0.009 0.000 0.848 23 Q CB 0.303 29.045 28.738 0.007 0.000 0.931 23 Q HN 0.335 8.605 8.270 -0.000 0.000 0.470 24 K N 0.448 120.856 120.400 0.014 0.000 2.001 24 K HA -0.179 3.992 4.320 -0.249 0.000 0.214 24 K C 2.068 178.698 176.600 0.050 0.000 1.050 24 K CA 1.158 57.461 56.287 0.027 0.000 0.934 24 K CB -0.787 31.715 32.500 0.003 0.000 0.718 24 K HN 0.266 8.516 8.250 -0.000 0.000 0.443 25 L N 1.148 122.375 121.223 0.006 0.000 1.997 25 L HA -0.285 3.906 4.340 -0.249 0.000 0.216 25 L C 2.479 179.404 176.870 0.092 0.000 1.074 25 L CA 1.782 56.628 54.840 0.009 0.000 0.763 25 L CB -0.350 41.695 42.059 -0.023 0.000 0.890 25 L HN 0.273 8.503 8.230 -0.000 0.000 0.434 26 K N -0.514 119.921 120.400 0.059 0.000 2.211 26 K HA -0.122 4.049 4.320 -0.249 0.000 0.203 26 K C 1.973 178.612 176.600 0.065 0.000 1.050 26 K CA 0.916 57.237 56.287 0.058 0.000 0.945 26 K CB -0.027 32.492 32.500 0.032 0.000 0.732 26 K HN 0.287 8.537 8.250 -0.000 0.000 0.451 27 L N -0.745 120.521 121.223 0.071 0.000 2.068 27 L HA -0.112 4.079 4.340 -0.249 0.000 0.204 27 L C 2.351 179.267 176.870 0.076 0.000 1.076 27 L CA 0.953 55.826 54.840 0.054 0.000 0.753 27 L CB -0.610 41.474 42.059 0.042 0.000 0.910 27 L HN 0.103 8.333 8.230 -0.000 0.000 0.439 28 Y N 1.011 121.304 120.300 -0.013 0.000 2.102 28 Y HA -0.412 3.989 4.550 -0.249 0.000 0.280 28 Y C 2.879 178.779 175.900 -0.000 0.000 1.178 28 Y CA 2.276 60.372 58.100 -0.006 0.000 1.146 28 Y CB -0.140 38.325 38.460 0.009 0.000 0.968 28 Y HN 0.183 8.463 8.280 -0.000 0.000 0.504 29 Q N -0.277 119.674 119.800 0.253 0.000 2.046 29 Q HA -0.185 4.005 4.340 -0.249 0.000 0.200 29 Q C 2.330 178.352 176.000 0.036 0.000 0.975 29 Q CA 2.237 58.136 55.803 0.160 0.000 0.836 29 Q CB -0.165 28.666 28.738 0.154 0.000 0.896 29 Q HN 0.651 8.921 8.270 -0.000 0.000 0.428 30 S N 0.412 116.123 115.700 0.018 0.000 2.368 30 S HA -0.093 4.228 4.470 -0.249 0.000 0.224 30 S C 2.127 176.685 174.600 -0.070 0.000 1.029 30 S CA 0.868 59.058 58.200 -0.016 0.000 0.988 30 S CB -0.541 62.654 63.200 -0.009 0.000 0.838 30 S HN 0.486 8.796 8.310 -0.000 0.000 0.462 31 A N 2.067 124.823 122.820 -0.106 0.000 1.883 31 A HA -0.089 4.081 4.320 -0.249 0.000 0.217 31 A C 2.423 179.843 177.584 -0.273 0.000 1.186 31 A CA 2.174 54.102 52.037 -0.182 0.000 0.624 31 A CB -1.715 17.164 19.000 -0.202 0.000 0.822 31 A HN 0.507 8.657 8.150 -0.000 0.000 0.444 32 T N -0.125 114.240 114.554 -0.315 0.000 2.652 32 T HA -0.216 3.984 4.350 -0.249 0.000 0.267 32 T C 2.096 176.624 174.700 -0.288 0.000 1.039 32 T CA 1.822 63.687 62.100 -0.391 0.000 1.153 32 T CB -0.322 68.400 68.868 -0.243 0.000 0.863 32 T HN 0.606 8.846 8.240 -0.000 0.000 0.428 33 Q N 0.375 120.127 119.800 -0.081 0.000 2.045 33 Q HA -0.155 4.035 4.340 -0.249 0.000 0.206 33 Q C 2.705 178.687 176.000 -0.030 0.000 0.991 33 Q CA 1.708 57.523 55.803 0.019 0.000 0.851 33 Q CB -0.373 28.381 28.738 0.026 0.000 0.911 33 Q HN 0.573 8.843 8.270 -0.000 0.000 0.418 34 A N 0.069 122.835 122.820 -0.091 0.000 1.902 34 A HA -0.159 4.011 4.320 -0.249 0.000 0.217 34 A C 2.318 179.821 177.584 -0.134 0.000 1.181 34 A CA 1.535 53.515 52.037 -0.094 0.000 0.623 34 A CB -0.771 18.167 19.000 -0.103 0.000 0.818 34 A HN 0.239 8.389 8.150 -0.000 0.000 0.443 35 V N -0.973 118.789 119.914 -0.254 0.000 2.255 35 V HA -0.264 3.707 4.120 -0.249 0.000 0.247 35 V C 2.351 178.325 176.094 -0.199 0.000 1.051 35 V CA 2.202 64.310 62.300 -0.320 0.000 1.018 35 V CB -1.066 30.422 31.823 -0.558 0.000 0.641 35 V HN 0.537 8.727 8.190 -0.000 0.000 0.445 36 F N 1.058 120.952 119.950 -0.094 0.000 2.171 36 F HA -0.148 4.229 4.527 -0.249 0.000 0.300 36 F C 2.886 178.654 175.800 -0.054 0.000 1.090 36 F CA 1.348 59.309 58.000 -0.066 0.000 1.293 36 F CB -1.501 37.477 39.000 -0.037 0.000 1.013 36 F HN 0.262 8.562 8.300 -0.000 0.000 0.486 37 Q N 0.879 120.749 119.800 0.118 0.000 2.061 37 Q HA -0.241 3.949 4.340 -0.249 0.000 0.204 37 Q C 2.146 178.156 176.000 0.017 0.000 0.984 37 Q CA 2.177 58.010 55.803 0.050 0.000 0.846 37 Q CB -1.184 27.567 28.738 0.022 0.000 0.902 37 Q HN 0.483 8.753 8.270 -0.000 0.000 0.421 38 K N -0.444 119.949 120.400 -0.013 0.000 2.103 38 K HA -0.127 4.044 4.320 -0.249 0.000 0.207 38 K C 2.427 179.009 176.600 -0.029 0.000 1.048 38 K CA 1.282 57.548 56.287 -0.036 0.000 0.930 38 K CB -0.105 32.354 32.500 -0.068 0.000 0.716 38 K HN 0.423 8.673 8.250 -0.000 0.000 0.444 39 R N 0.862 121.362 120.500 -0.001 0.000 2.073 39 R HA -0.144 4.046 4.340 -0.249 0.000 0.229 39 R C 2.298 178.604 176.300 0.010 0.000 1.120 39 R CA 1.380 57.485 56.100 0.009 0.000 0.967 39 R CB 0.032 30.375 30.300 0.071 0.000 0.862 39 R HN 0.042 8.312 8.270 -0.000 0.000 0.436 40 Q N 0.280 120.096 119.800 0.026 0.000 2.167 40 Q HA -0.010 4.181 4.340 -0.249 0.000 0.202 40 Q C 1.530 177.527 176.000 -0.006 0.000 0.970 40 Q CA 1.849 57.657 55.803 0.008 0.000 0.855 40 Q CB -0.134 28.611 28.738 0.011 0.000 0.911 40 Q HN 0.414 8.684 8.270 -0.000 0.000 0.438 41 A N -0.912 121.902 122.820 -0.010 0.000 2.209 41 A HA 0.301 4.471 4.320 -0.249 0.000 0.212 41 A C 1.498 179.061 177.584 -0.035 0.000 1.158 41 A CA 0.882 52.907 52.037 -0.020 0.000 0.742 41 A CB -0.813 18.175 19.000 -0.020 0.000 0.790 41 A HN 0.601 8.751 8.150 -0.000 0.000 0.472 42 G N -0.460 108.313 108.800 -0.044 0.000 2.160 42 G HA2 -0.262 3.549 3.960 -0.249 0.000 0.251 42 G HA3 -0.262 3.549 3.960 -0.249 0.000 0.251 42 G C -0.157 174.676 174.900 -0.113 0.000 1.008 42 G CA 0.384 45.439 45.100 -0.075 0.000 0.724 42 G HN 0.669 8.959 8.290 -0.000 0.000 0.514 43 E N 0.088 120.233 120.200 -0.090 0.000 1.861 43 E HA 0.386 4.586 4.350 -0.249 0.000 0.263 43 E C 0.550 177.080 176.600 -0.116 0.000 1.137 43 E CA -0.316 56.026 56.400 -0.096 0.000 0.944 43 E CB 0.255 29.917 29.700 -0.064 0.000 1.092 43 E HN 0.409 8.769 8.360 -0.000 0.000 0.420 44 L N 4.504 125.614 121.223 -0.188 0.000 2.422 44 L HA 0.194 4.385 4.340 -0.249 0.000 0.256 44 L C -0.240 176.597 176.870 -0.054 0.000 1.202 44 L CA -0.315 54.426 54.840 -0.164 0.000 1.119 44 L CB -0.627 41.246 42.059 -0.309 0.000 1.383 44 L HN 0.450 8.680 8.230 -0.000 0.000 0.411 45 D N -1.928 118.449 120.400 -0.037 0.000 2.636 45 D HA 0.201 4.692 4.640 -0.249 0.000 0.275 45 D C 0.519 176.800 176.300 -0.032 0.000 1.130 45 D CA -0.781 53.216 54.000 -0.005 0.000 1.031 45 D CB 0.825 41.619 40.800 -0.010 0.000 1.451 45 D HN -0.066 8.304 8.370 -0.000 0.000 0.505 46 E N -0.766 119.417 120.200 -0.028 0.000 2.331 46 E HA -0.124 4.076 4.350 -0.249 0.000 0.199 46 E C 1.601 178.151 176.600 -0.082 0.000 1.008 46 E CA 1.641 58.011 56.400 -0.051 0.000 0.843 46 E CB -0.074 29.602 29.700 -0.039 0.000 0.761 46 E HN 0.474 8.834 8.360 -0.000 0.000 0.507 47 S N -0.427 115.225 115.700 -0.079 0.000 2.439 47 S HA -0.071 4.250 4.470 -0.249 0.000 0.224 47 S C 2.118 176.641 174.600 -0.129 0.000 1.029 47 S CA 0.479 58.621 58.200 -0.096 0.000 0.946 47 S CB -0.413 62.741 63.200 -0.077 0.000 0.797 47 S HN 0.190 8.500 8.310 -0.000 0.000 0.504 48 V N 2.961 122.792 119.914 -0.138 0.000 2.285 48 V HA -0.337 3.633 4.120 -0.249 0.000 0.259 48 V C 2.134 178.098 176.094 -0.217 0.000 1.088 48 V CA 2.708 64.902 62.300 -0.177 0.000 1.098 48 V CB -1.030 30.695 31.823 -0.163 0.000 0.738 48 V HN 0.675 8.865 8.190 -0.000 0.000 0.461 49 L N -0.369 120.738 121.223 -0.193 0.000 2.083 49 L HA -0.141 4.050 4.340 -0.249 0.000 0.209 49 L C 2.670 179.361 176.870 -0.298 0.000 1.083 49 L CA 2.083 56.772 54.840 -0.253 0.000 0.752 49 L CB -0.748 41.193 42.059 -0.197 0.000 0.899 49 L HN 0.571 8.801 8.230 -0.000 0.000 0.433 50 E N 0.664 120.732 120.200 -0.220 0.000 2.047 50 E HA -0.198 4.003 4.350 -0.249 0.000 0.191 50 E C 2.084 178.558 176.600 -0.210 0.000 0.987 50 E CA 1.203 57.484 56.400 -0.198 0.000 0.799 50 E CB -0.148 29.470 29.700 -0.137 0.000 0.752 50 E HN 0.095 8.455 8.360 -0.000 0.000 0.449 51 L N 0.985 122.080 121.223 -0.213 0.000 2.012 51 L HA -0.146 4.044 4.340 -0.249 0.000 0.210 51 L C 2.640 179.333 176.870 -0.295 0.000 1.073 51 L CA 2.480 57.180 54.840 -0.233 0.000 0.748 51 L CB -1.712 40.204 42.059 -0.237 0.000 0.891 51 L HN 0.493 8.723 8.230 -0.000 0.000 0.431 52 T N -3.913 110.428 114.554 -0.355 0.000 2.915 52 T HA -0.140 4.060 4.350 -0.249 0.000 0.269 52 T C 2.090 176.565 174.700 -0.376 0.000 1.071 52 T CA 1.160 63.003 62.100 -0.429 0.000 1.132 52 T CB -0.647 67.926 68.868 -0.492 0.000 0.878 52 T HN 0.400 8.640 8.240 -0.000 0.000 0.479 53 S N 1.976 117.443 115.700 -0.388 0.000 2.383 53 S HA -0.260 4.060 4.470 -0.249 0.000 0.229 53 S C 2.199 176.772 174.600 -0.045 0.000 1.030 53 S CA 1.229 59.241 58.200 -0.312 0.000 1.002 53 S CB -0.713 62.223 63.200 -0.440 0.000 0.829 53 S HN 0.676 8.986 8.310 -0.000 0.000 0.467 54 Q N 0.542 120.276 119.800 -0.111 0.000 2.084 54 Q HA 0.070 4.261 4.340 -0.249 0.000 0.202 54 Q C 2.240 178.215 176.000 -0.043 0.000 0.978 54 Q CA 1.819 57.587 55.803 -0.059 0.000 0.844 54 Q CB -0.347 28.340 28.738 -0.085 0.000 0.898 54 Q HN 0.663 8.933 8.270 -0.000 0.000 0.426 55 I N -0.155 120.339 120.570 -0.128 0.000 2.400 55 I HA -0.182 3.838 4.170 -0.249 0.000 0.248 55 I C 1.938 178.026 176.117 -0.049 0.000 1.109 55 I CA 0.674 61.906 61.300 -0.112 0.000 1.425 55 I CB -0.035 37.757 38.000 -0.347 0.000 1.094 55 I HN 0.128 8.338 8.210 -0.000 0.000 0.425 56 L N 0.670 121.798 121.223 -0.159 0.000 2.201 56 L HA -0.058 4.132 4.340 -0.249 0.000 0.212 56 L C 2.631 179.470 176.870 -0.052 0.000 1.105 56 L CA 1.121 55.836 54.840 -0.208 0.000 0.775 56 L CB -0.960 40.766 42.059 -0.556 0.000 0.913 56 L HN 0.319 8.549 8.230 -0.000 0.000 0.440 57 G N -0.034 108.776 108.800 0.018 0.000 2.476 57 G HA2 -0.301 3.509 3.960 -0.249 0.000 0.218 57 G HA3 -0.301 3.509 3.960 -0.249 0.000 0.218 57 G C 1.638 176.550 174.900 0.020 0.000 1.164 57 G CA 0.927 46.034 45.100 0.011 0.000 0.768 57 G HN 0.483 8.773 8.290 -0.000 0.000 0.560 58 A N -0.605 122.246 122.820 0.052 0.000 2.095 58 A HA 0.241 4.411 4.320 -0.249 0.000 0.212 58 A C 1.385 179.021 177.584 0.087 0.000 1.162 58 A CA 0.837 52.913 52.037 0.063 0.000 0.753 58 A CB 0.104 19.149 19.000 0.075 0.000 0.840 58 A HN 0.321 8.470 8.150 -0.000 0.000 0.468 59 N N -0.311 118.463 118.700 0.124 0.000 2.723 59 N HA 0.212 4.802 4.740 -0.249 0.000 0.290 59 N C -2.313 173.299 175.510 0.170 0.000 1.882 59 N CA -1.759 51.394 53.050 0.171 0.000 0.851 59 N CB 1.060 39.732 38.487 0.309 0.000 1.234 59 N HN 0.058 8.438 8.380 -0.000 0.000 0.491 60 P HA -0.005 4.415 4.420 -0.000 0.000 0.226 60 P C -0.014 177.529 177.300 0.406 0.000 1.153 60 P CA 0.852 64.112 63.100 0.266 0.000 0.777 60 P CB 0.518 32.366 31.700 0.246 0.000 0.794 61 D N -0.859 119.716 120.400 0.292 0.000 2.349 61 D HA -0.011 4.479 4.640 -0.249 0.000 0.224 61 D C 0.450 176.948 176.300 0.331 0.000 1.029 61 D CA -0.023 54.157 54.000 0.300 0.000 0.879 61 D CB -0.620 40.308 40.800 0.213 0.000 0.906 61 D HN 0.286 8.656 8.370 -0.000 0.000 0.528 62 F N 1.599 121.623 119.950 0.123 0.000 2.685 62 F HA 0.153 4.530 4.527 -0.249 0.000 0.349 62 F C 1.614 177.455 175.800 0.068 0.000 1.294 62 F CA -0.929 57.112 58.000 0.069 0.000 1.201 62 F CB 0.438 39.436 39.000 -0.003 0.000 1.615 62 F HN -0.081 8.219 8.300 -0.000 0.000 0.674 63 A N 2.432 125.538 122.820 0.476 0.000 1.940 63 A HA -0.201 3.969 4.320 -0.249 0.000 0.219 63 A C 2.168 179.907 177.584 0.259 0.000 1.176 63 A CA 2.304 54.578 52.037 0.395 0.000 0.631 63 A CB -0.844 18.333 19.000 0.295 0.000 0.814 63 A HN 0.622 8.772 8.150 -0.000 0.000 0.446 64 T N 0.586 115.300 114.554 0.267 0.000 2.803 64 T HA -0.094 4.106 4.350 -0.249 0.000 0.269 64 T C 1.706 176.346 174.700 -0.100 0.000 1.052 64 T CA 1.406 63.591 62.100 0.141 0.000 1.136 64 T CB -0.370 68.680 68.868 0.303 0.000 0.864 64 T HN 0.413 8.653 8.240 -0.000 0.000 0.467 65 L N -1.180 119.789 121.223 -0.425 0.000 2.093 65 L HA -0.043 4.147 4.340 -0.249 0.000 0.208 65 L C 2.389 178.990 176.870 -0.448 0.000 1.085 65 L CA 1.290 55.760 54.840 -0.617 0.000 0.755 65 L CB -0.595 40.873 42.059 -0.984 0.000 0.904 65 L HN 0.395 8.625 8.230 -0.000 0.000 0.435 66 W N 0.756 121.913 121.300 -0.238 0.000 2.358 66 W HA -0.172 4.339 4.660 -0.249 0.000 0.303 66 W C 2.536 178.889 176.519 -0.277 0.000 1.208 66 W CA 0.483 57.646 57.345 -0.304 0.000 1.274 66 W CB -0.432 28.897 29.460 -0.218 0.000 1.138 66 W HN 0.205 8.385 8.180 -0.000 0.000 0.515 67 N N -0.057 118.672 118.700 0.048 0.000 2.104 67 N HA -0.171 4.419 4.740 -0.249 0.000 0.190 67 N C 1.504 176.973 175.510 -0.069 0.000 1.024 67 N CA 1.835 54.871 53.050 -0.022 0.000 0.853 67 N CB -1.257 37.243 38.487 0.022 0.000 1.008 67 N HN 0.150 8.530 8.380 -0.000 0.000 0.424 68 C N 1.018 120.260 119.300 -0.096 0.000 2.413 68 C HA -0.020 4.291 4.460 -0.249 0.000 0.276 68 C C 2.652 177.571 174.990 -0.118 0.000 1.248 68 C CA 0.291 59.240 59.018 -0.114 0.000 1.742 68 C CB -0.896 26.734 27.740 -0.183 0.000 2.017 68 C HN 0.470 8.700 8.230 -0.000 0.000 0.481 69 R N 0.447 120.857 120.500 -0.149 0.000 2.081 69 R HA -0.097 4.094 4.340 -0.249 0.000 0.235 69 R C 2.471 178.764 176.300 -0.012 0.000 1.131 69 R CA 1.264 57.306 56.100 -0.097 0.000 0.960 69 R CB -0.324 29.903 30.300 -0.122 0.000 0.856 69 R HN 0.597 8.867 8.270 -0.000 0.000 0.436 70 R N 0.700 121.140 120.500 -0.099 0.000 2.081 70 R HA -0.136 4.055 4.340 -0.249 0.000 0.235 70 R C 2.152 178.439 176.300 -0.022 0.000 1.131 70 R CA 1.419 57.358 56.100 -0.269 0.000 0.960 70 R CB -0.176 29.651 30.300 -0.787 0.000 0.856 70 R HN 0.382 8.652 8.270 -0.000 0.000 0.436 71 E N 0.161 120.351 120.200 -0.016 0.000 2.085 71 E HA -0.174 4.027 4.350 -0.249 0.000 0.194 71 E C 2.066 178.720 176.600 0.090 0.000 0.994 71 E CA 1.446 57.875 56.400 0.048 0.000 0.801 71 E CB -0.023 29.685 29.700 0.013 0.000 0.743 71 E HN 0.090 8.450 8.360 -0.000 0.000 0.453 72 V N 1.353 121.300 119.914 0.054 0.000 2.295 72 V HA -0.262 3.709 4.120 -0.249 0.000 0.246 72 V C 2.307 178.486 176.094 0.142 0.000 1.049 72 V CA 1.557 63.904 62.300 0.078 0.000 1.024 72 V CB -0.425 31.405 31.823 0.012 0.000 0.648 72 V HN 0.254 8.444 8.190 -0.000 0.000 0.447 73 L N -0.734 120.585 121.223 0.160 0.000 2.046 73 L HA -0.230 3.961 4.340 -0.249 0.000 0.208 73 L C 2.673 179.676 176.870 0.221 0.000 1.077 73 L CA 1.579 56.543 54.840 0.207 0.000 0.747 73 L CB -0.669 41.577 42.059 0.312 0.000 0.896 73 L HN 0.361 8.591 8.230 -0.000 0.000 0.432 74 Q N -0.759 119.206 119.800 0.276 0.000 2.045 74 Q HA -0.304 3.887 4.340 -0.249 0.000 0.206 74 Q C 2.203 178.299 176.000 0.160 0.000 0.991 74 Q CA 2.224 58.167 55.803 0.233 0.000 0.851 74 Q CB -0.303 28.593 28.738 0.264 0.000 0.911 74 Q HN 0.525 8.795 8.270 -0.000 0.000 0.418 75 H N 0.385 119.506 119.070 0.085 0.000 2.321 75 H HA -0.079 4.327 4.556 -0.249 0.000 0.300 75 H C 1.837 177.190 175.328 0.043 0.000 1.087 75 H CA 1.584 57.665 56.048 0.054 0.000 1.319 75 H CB -0.141 29.643 29.762 0.038 0.000 1.379 75 H HN 0.120 8.400 8.280 -0.000 0.000 0.501 76 L N 0.055 121.292 121.223 0.024 0.000 2.141 76 L HA -0.115 4.076 4.340 -0.249 0.000 0.209 76 L C 2.546 179.380 176.870 -0.059 0.000 1.094 76 L CA 1.542 56.364 54.840 -0.031 0.000 0.763 76 L CB -0.447 41.643 42.059 0.052 0.000 0.908 76 L HN 0.457 8.687 8.230 -0.000 0.000 0.437 77 E N 0.165 120.354 120.200 -0.019 0.000 2.160 77 E HA -0.255 3.946 4.350 -0.249 0.000 0.195 77 E C 2.083 178.649 176.600 -0.057 0.000 0.991 77 E CA 1.889 58.276 56.400 -0.022 0.000 0.810 77 E CB 0.098 29.802 29.700 0.006 0.000 0.742 77 E HN 0.572 8.932 8.360 -0.000 0.000 0.466 78 T N -1.024 113.468 114.554 -0.103 0.000 2.737 78 T HA -0.200 4.001 4.350 -0.249 0.000 0.265 78 T C 1.564 176.191 174.700 -0.122 0.000 1.038 78 T CA 1.399 63.430 62.100 -0.116 0.000 1.144 78 T CB -0.275 68.497 68.868 -0.159 0.000 0.866 78 T HN 0.441 8.681 8.240 -0.000 0.000 0.434 79 E N 0.058 120.155 120.200 -0.173 0.000 2.558 79 E HA 0.303 4.503 4.350 -0.249 0.000 0.205 79 E C -0.201 176.357 176.600 -0.070 0.000 1.006 79 E CA -0.703 55.624 56.400 -0.120 0.000 0.961 79 E CB 0.484 30.094 29.700 -0.150 0.000 1.044 79 E HN 0.107 8.467 8.360 -0.000 0.000 0.465 80 K N 0.543 120.909 120.400 -0.057 0.000 2.281 80 K HA 0.418 4.589 4.320 -0.249 0.000 0.242 80 K C -0.120 176.464 176.600 -0.027 0.000 0.971 80 K CA -0.334 55.934 56.287 -0.032 0.000 0.834 80 K CB 1.822 34.309 32.500 -0.022 0.000 1.181 80 K HN 0.386 8.636 8.250 -0.000 0.000 0.435 81 S N 0.811 116.499 115.700 -0.020 0.000 2.589 81 S HA 0.142 4.462 4.470 -0.249 0.000 0.265 81 S C -1.645 172.944 174.600 -0.018 0.000 1.342 81 S CA -0.570 57.619 58.200 -0.018 0.000 1.005 81 S CB 0.420 63.611 63.200 -0.015 0.000 0.909 81 S HN 0.411 8.721 8.310 -0.000 0.000 0.555 82 P HA -0.139 4.281 4.420 -0.000 0.000 0.214 82 P C 1.388 178.677 177.300 -0.018 0.000 1.163 82 P CA 1.472 64.561 63.100 -0.020 0.000 0.889 82 P CB -0.007 31.681 31.700 -0.020 0.000 0.790 83 E N -0.510 119.680 120.200 -0.016 0.000 2.118 83 E HA -0.218 3.983 4.350 -0.249 0.000 0.195 83 E C 1.968 178.561 176.600 -0.012 0.000 0.992 83 E CA 1.087 57.479 56.400 -0.014 0.000 0.804 83 E CB -0.231 29.461 29.700 -0.012 0.000 0.741 83 E HN 0.417 8.777 8.360 -0.000 0.000 0.458 84 E N -0.082 120.111 120.200 -0.011 0.000 2.106 84 E HA -0.114 4.087 4.350 -0.249 0.000 0.192 84 E C 2.184 178.781 176.600 -0.005 0.000 0.984 84 E CA 0.791 57.187 56.400 -0.008 0.000 0.806 84 E CB 0.043 29.738 29.700 -0.008 0.000 0.750 84 E HN 0.007 8.367 8.360 -0.000 0.000 0.458 85 S N 0.416 116.111 115.700 -0.008 0.000 2.368 85 S HA -0.138 4.183 4.470 -0.249 0.000 0.224 85 S C 2.078 176.675 174.600 -0.006 0.000 1.029 85 S CA 0.909 59.106 58.200 -0.005 0.000 0.988 85 S CB -0.140 63.053 63.200 -0.012 0.000 0.838 85 S HN 0.383 8.693 8.310 -0.000 0.000 0.462 86 A N 1.406 124.217 122.820 -0.014 0.000 1.940 86 A HA 0.043 4.213 4.320 -0.249 0.000 0.219 86 A C 2.310 179.888 177.584 -0.009 0.000 1.176 86 A CA 1.796 53.823 52.037 -0.018 0.000 0.631 86 A CB -0.999 17.987 19.000 -0.022 0.000 0.814 86 A HN 0.527 8.677 8.150 -0.000 0.000 0.446 87 A N -0.901 121.916 122.820 -0.005 0.000 1.930 87 A HA 0.025 4.196 4.320 -0.249 0.000 0.217 87 A C 2.057 179.647 177.584 0.010 0.000 1.175 87 A CA 1.614 53.652 52.037 0.001 0.000 0.627 87 A CB -0.517 18.482 19.000 -0.001 0.000 0.815 87 A HN 0.454 8.604 8.150 -0.000 0.000 0.443 88 L N 0.276 121.507 121.223 0.013 0.000 2.046 88 L HA -0.135 4.056 4.340 -0.249 0.000 0.208 88 L C 2.720 179.616 176.870 0.044 0.000 1.077 88 L CA 2.210 57.066 54.840 0.027 0.000 0.747 88 L CB -0.549 41.529 42.059 0.032 0.000 0.896 88 L HN 0.414 8.644 8.230 -0.000 0.000 0.432 89 V N -3.176 116.757 119.914 0.032 0.000 2.453 89 V HA -0.205 3.765 4.120 -0.249 0.000 0.247 89 V C 2.369 178.482 176.094 0.033 0.000 1.048 89 V CA 1.463 63.784 62.300 0.035 0.000 1.049 89 V CB -0.758 31.064 31.823 -0.002 0.000 0.672 89 V HN 0.413 8.603 8.190 -0.000 0.000 0.457 90 K N 1.135 121.546 120.400 0.019 0.000 2.097 90 K HA 0.038 4.208 4.320 -0.249 0.000 0.205 90 K C 2.453 179.079 176.600 0.044 0.000 1.050 90 K CA 1.458 57.757 56.287 0.020 0.000 0.938 90 K CB -0.522 31.982 32.500 0.007 0.000 0.718 90 K HN 0.609 8.859 8.250 -0.000 0.000 0.442 91 A N 1.458 124.308 122.820 0.049 0.000 1.933 91 A HA -0.210 3.961 4.320 -0.249 0.000 0.218 91 A C 2.040 179.699 177.584 0.124 0.000 1.175 91 A CA 1.669 53.746 52.037 0.067 0.000 0.628 91 A CB -0.330 18.693 19.000 0.039 0.000 0.814 91 A HN 0.237 8.387 8.150 -0.000 0.000 0.444 92 E N 0.070 120.351 120.200 0.136 0.000 2.106 92 E HA -0.084 4.116 4.350 -0.249 0.000 0.192 92 E C 1.837 178.571 176.600 0.224 0.000 0.984 92 E CA 0.952 57.492 56.400 0.232 0.000 0.806 92 E CB -0.340 29.496 29.700 0.226 0.000 0.750 92 E HN 0.613 8.973 8.360 -0.000 0.000 0.458 93 L N -0.734 120.562 121.223 0.121 0.000 2.083 93 L HA -0.082 4.108 4.340 -0.249 0.000 0.209 93 L C 2.403 179.315 176.870 0.069 0.000 1.083 93 L CA 1.247 56.129 54.840 0.070 0.000 0.752 93 L CB -0.646 41.434 42.059 0.034 0.000 0.899 93 L HN 0.298 8.528 8.230 -0.000 0.000 0.433 94 G N -0.486 108.371 108.800 0.094 0.000 2.402 94 G HA2 -0.312 3.499 3.960 -0.249 0.000 0.216 94 G HA3 -0.312 3.499 3.960 -0.249 0.000 0.216 94 G C 1.458 176.427 174.900 0.115 0.000 1.162 94 G CA 0.434 45.586 45.100 0.086 0.000 0.777 94 G HN 0.274 8.564 8.290 -0.000 0.000 0.539 95 F N 1.373 121.345 119.950 0.036 0.000 2.095 95 F HA 0.004 4.382 4.527 -0.249 0.000 0.298 95 F C 2.429 178.265 175.800 0.060 0.000 1.104 95 F CA 1.168 59.197 58.000 0.048 0.000 1.232 95 F CB -0.436 38.606 39.000 0.070 0.000 0.987 95 F HN 0.048 8.348 8.300 -0.000 0.000 0.475 96 L N 0.120 121.302 121.223 -0.069 0.000 2.012 96 L HA -0.251 3.939 4.340 -0.249 0.000 0.210 96 L C 2.560 179.257 176.870 -0.287 0.000 1.073 96 L CA 2.096 56.804 54.840 -0.221 0.000 0.748 96 L CB -0.793 41.198 42.059 -0.114 0.000 0.891 96 L HN 0.258 8.488 8.230 -0.000 0.000 0.431 97 E N -0.151 119.954 120.200 -0.159 0.000 2.106 97 E HA -0.224 3.977 4.350 -0.249 0.000 0.192 97 E C 2.254 178.807 176.600 -0.078 0.000 0.984 97 E CA 1.390 57.732 56.400 -0.097 0.000 0.806 97 E CB 0.064 29.764 29.700 -0.002 0.000 0.750 97 E HN 0.499 8.859 8.360 -0.000 0.000 0.458 98 S N -0.390 115.247 115.700 -0.105 0.000 2.382 98 S HA -0.173 4.147 4.470 -0.249 0.000 0.228 98 S C 2.241 176.745 174.600 -0.161 0.000 1.027 98 S CA 1.121 59.264 58.200 -0.095 0.000 0.991 98 S CB -0.732 62.437 63.200 -0.053 0.000 0.823 98 S HN 0.444 8.754 8.310 -0.000 0.000 0.469 99 C N 1.416 120.529 119.300 -0.311 0.000 2.429 99 C HA 0.148 4.459 4.460 -0.249 0.000 0.277 99 C C 2.705 177.561 174.990 -0.223 0.000 1.262 99 C CA 0.623 59.463 59.018 -0.296 0.000 1.733 99 C CB -1.621 25.884 27.740 -0.392 0.000 2.010 99 C HN 0.603 8.833 8.230 -0.000 0.000 0.483 100 L N 0.180 121.228 121.223 -0.293 0.000 2.131 100 L HA -0.147 4.044 4.340 -0.249 0.000 0.210 100 L C 2.836 179.734 176.870 0.048 0.000 1.092 100 L CA 1.347 55.994 54.840 -0.322 0.000 0.759 100 L CB -0.631 41.005 42.059 -0.706 0.000 0.903 100 L HN 0.360 8.590 8.230 -0.000 0.000 0.435 101 R N -0.248 120.317 120.500 0.107 0.000 2.091 101 R HA -0.161 4.030 4.340 -0.249 0.000 0.238 101 R C 2.288 178.614 176.300 0.043 0.000 1.136 101 R CA 1.850 58.009 56.100 0.098 0.000 0.959 101 R CB -0.481 29.829 30.300 0.017 0.000 0.856 101 R HN 0.425 8.695 8.270 -0.000 0.000 0.437 102 V N -1.422 118.490 119.914 -0.002 0.000 2.535 102 V HA 0.037 4.008 4.120 -0.249 0.000 0.246 102 V C 0.597 176.691 176.094 -0.001 0.000 1.045 102 V CA 1.020 63.318 62.300 -0.004 0.000 1.058 102 V CB -0.265 31.549 31.823 -0.014 0.000 0.689 102 V HN 0.160 8.350 8.190 -0.000 0.000 0.461 103 N N 1.486 120.170 118.700 -0.026 0.000 2.648 103 N HA 0.398 4.988 4.740 -0.249 0.000 0.261 103 N C -2.306 173.153 175.510 -0.085 0.000 1.138 103 N CA -1.933 51.096 53.050 -0.035 0.000 0.804 103 N CB 1.737 40.206 38.487 -0.030 0.000 1.237 103 N HN 0.228 8.608 8.380 -0.000 0.000 0.532 104 P HA 0.084 4.504 4.420 -0.000 0.000 0.249 104 P C -0.174 177.150 177.300 0.040 0.000 1.241 104 P CA 0.551 63.654 63.100 0.006 0.000 0.781 104 P CB 0.257 32.085 31.700 0.212 0.000 1.088 105 K N -0.591 119.726 120.400 -0.138 0.000 2.646 105 K HA 0.212 4.382 4.320 -0.249 0.000 0.206 105 K C 0.143 176.358 176.600 -0.641 0.000 1.069 105 K CA -0.105 55.921 56.287 -0.434 0.000 1.067 105 K CB 0.685 33.055 32.500 -0.217 0.000 0.807 105 K HN -0.121 8.129 8.250 -0.000 0.000 0.482 106 S N -0.035 115.427 115.700 -0.397 0.000 2.429 106 S HA 0.194 4.515 4.470 -0.249 0.000 0.302 106 S C 0.788 175.301 174.600 -0.144 0.000 1.115 106 S CA -0.589 57.482 58.200 -0.214 0.000 1.095 106 S CB 0.387 63.553 63.200 -0.057 0.000 0.987 106 S HN 0.242 8.552 8.310 -0.000 0.000 0.474 107 Y N 3.831 124.155 120.300 0.040 0.000 2.165 107 Y HA -0.048 4.352 4.550 -0.250 0.000 0.286 107 Y C 2.544 178.492 175.900 0.079 0.000 1.155 107 Y CA 1.855 60.056 58.100 0.170 0.000 1.164 107 Y CB -0.808 37.767 38.460 0.192 0.000 0.978 107 Y HN 0.819 9.099 8.280 -0.000 0.000 0.513 108 G N -1.154 107.746 108.800 0.166 0.000 2.440 108 G HA2 -0.247 3.564 3.960 -0.249 0.000 0.218 108 G HA3 -0.247 3.564 3.960 -0.249 0.000 0.218 108 G C 1.712 176.206 174.900 -0.676 0.000 1.154 108 G CA 1.684 46.709 45.100 -0.124 0.000 0.767 108 G HN 0.364 8.654 8.290 -0.000 0.000 0.552 109 T N 0.085 114.302 114.554 -0.561 0.000 2.737 109 T HA -0.138 4.062 4.350 -0.249 0.000 0.265 109 T C 2.014 176.315 174.700 -0.664 0.000 1.038 109 T CA 1.236 62.842 62.100 -0.824 0.000 1.144 109 T CB -0.334 68.198 68.868 -0.560 0.000 0.866 109 T HN 0.532 8.772 8.240 -0.000 0.000 0.434 110 W N 0.988 122.059 121.300 -0.382 0.000 2.363 110 W HA -0.089 4.423 4.660 -0.247 0.000 0.296 110 W C 2.531 178.913 176.519 -0.229 0.000 1.212 110 W CA 0.969 58.106 57.345 -0.346 0.000 1.260 110 W CB -0.433 28.889 29.460 -0.230 0.000 1.131 110 W HN 0.433 8.613 8.180 -0.000 0.000 0.530 111 H N -1.335 117.734 119.070 -0.002 0.000 2.357 111 H HA -0.205 4.202 4.556 -0.249 0.000 0.301 111 H C 2.214 177.522 175.328 -0.033 0.000 1.082 111 H CA 1.939 57.984 56.048 -0.004 0.000 1.342 111 H CB -0.459 29.313 29.762 0.016 0.000 1.389 111 H HN 0.232 8.512 8.280 -0.000 0.000 0.511 112 H N 0.912 119.731 119.070 -0.418 0.000 2.387 112 H HA -0.114 4.293 4.556 -0.249 0.000 0.299 112 H C 2.567 177.802 175.328 -0.156 0.000 1.090 112 H CA 1.313 57.126 56.048 -0.391 0.000 1.332 112 H CB 0.093 29.445 29.762 -0.684 0.000 1.386 112 H HN 0.304 8.584 8.280 -0.000 0.000 0.516 113 R N -0.043 120.313 120.500 -0.241 0.000 2.081 113 R HA -0.125 4.066 4.340 -0.249 0.000 0.235 113 R C 2.842 179.145 176.300 0.004 0.000 1.131 113 R CA 1.365 57.362 56.100 -0.171 0.000 0.960 113 R CB -0.642 29.463 30.300 -0.325 0.000 0.856 113 R HN 0.347 8.617 8.270 -0.000 0.000 0.436 114 C N -0.154 119.136 119.300 -0.016 0.000 2.429 114 C HA -0.111 4.199 4.460 -0.249 0.000 0.277 114 C C 2.398 177.365 174.990 -0.038 0.000 1.262 114 C CA 0.671 59.652 59.018 -0.061 0.000 1.733 114 C CB -1.366 26.184 27.740 -0.317 0.000 2.010 114 C HN 0.802 9.032 8.230 -0.000 0.000 0.483 115 W N 0.952 122.051 121.300 -0.335 0.000 2.338 115 W HA -0.100 4.410 4.660 -0.250 0.000 0.304 115 W C 2.142 178.569 176.519 -0.154 0.000 1.212 115 W CA 1.796 58.981 57.345 -0.266 0.000 1.264 115 W CB -0.559 28.676 29.460 -0.375 0.000 1.142 115 W HN 0.327 8.507 8.180 -0.000 0.000 0.512 116 L N 0.353 121.572 121.223 -0.007 0.000 2.005 116 L HA -0.171 4.020 4.340 -0.249 0.000 0.207 116 L C 2.391 179.160 176.870 -0.168 0.000 1.072 116 L CA 1.786 56.535 54.840 -0.152 0.000 0.744 116 L CB -1.253 40.772 42.059 -0.055 0.000 0.895 116 L HN 0.005 8.235 8.230 -0.000 0.000 0.433 117 L N -0.811 120.412 121.223 -0.001 0.000 2.079 117 L HA -0.187 4.004 4.340 -0.249 0.000 0.210 117 L C 2.492 179.425 176.870 0.104 0.000 1.081 117 L CA 1.759 56.627 54.840 0.047 0.000 0.752 117 L CB -1.341 40.898 42.059 0.300 0.000 0.896 117 L HN 0.348 8.578 8.230 -0.000 0.000 0.433 118 S N -0.630 115.178 115.700 0.179 0.000 2.423 118 S HA -0.119 4.202 4.470 -0.249 0.000 0.231 118 S C 1.924 176.505 174.600 -0.032 0.000 1.014 118 S CA 0.863 59.172 58.200 0.182 0.000 0.965 118 S CB -0.121 63.180 63.200 0.168 0.000 0.785 118 S HN 0.415 8.725 8.310 -0.000 0.000 0.495 119 R N -0.048 120.319 120.500 -0.220 0.000 2.240 119 R HA 0.142 4.332 4.340 -0.249 0.000 0.203 119 R C -0.447 175.749 176.300 -0.173 0.000 1.011 119 R CA 0.155 56.091 56.100 -0.274 0.000 1.007 119 R CB -0.057 29.939 30.300 -0.506 0.000 0.911 119 R HN 0.198 8.469 8.270 -0.000 0.000 0.468 120 L N 1.132 122.267 121.223 -0.147 0.000 2.371 120 L HA 0.156 4.347 4.340 -0.249 0.000 0.272 120 L C -1.320 175.489 176.870 -0.102 0.000 1.124 120 L CA -2.026 52.732 54.840 -0.137 0.000 0.816 120 L CB 0.596 42.548 42.059 -0.178 0.000 1.129 120 L HN -0.153 8.077 8.230 -0.000 0.000 0.448 121 P HA -0.181 4.239 4.420 -0.000 0.000 0.214 121 P C 0.713 177.979 177.300 -0.056 0.000 1.169 121 P CA 2.719 65.782 63.100 -0.061 0.000 0.908 121 P CB 0.464 32.131 31.700 -0.056 0.000 0.791 122 E N -5.110 115.037 120.200 -0.089 0.000 2.930 122 E HA -0.031 4.169 4.350 -0.249 0.000 0.213 122 E C -1.999 174.466 176.600 -0.225 0.000 0.541 122 E CA 0.127 56.449 56.400 -0.130 0.000 2.283 122 E CB -2.710 26.918 29.700 -0.120 0.000 2.870 122 E HN 0.436 8.796 8.360 -0.000 0.000 0.680 123 P HA 0.429 4.849 4.420 -0.000 0.000 0.276 123 P C -0.713 176.166 177.300 -0.702 0.000 1.230 123 P CA -0.159 62.541 63.100 -0.666 0.000 0.776 123 P CB 0.934 31.904 31.700 -1.216 0.000 0.888 124 N N 2.030 120.439 118.700 -0.485 0.000 2.739 124 N HA 0.023 4.613 4.740 -0.249 0.000 0.266 124 N C 0.591 175.963 175.510 -0.230 0.000 1.168 124 N CA -0.237 52.644 53.050 -0.281 0.000 1.055 124 N CB -0.475 37.928 38.487 -0.141 0.000 1.393 124 N HN 0.447 8.827 8.380 -0.000 0.000 0.514 125 W N 2.170 123.453 121.300 -0.029 0.000 2.392 125 W HA -0.076 4.435 4.660 -0.248 0.000 0.279 125 W C 2.128 178.622 176.519 -0.042 0.000 1.225 125 W CA 0.527 57.841 57.345 -0.050 0.000 1.233 125 W CB 0.015 29.417 29.460 -0.096 0.000 1.122 125 W HN 0.568 8.748 8.180 -0.000 0.000 0.561 126 A N 0.574 123.495 122.820 0.169 0.000 1.933 126 A HA -0.196 3.974 4.320 -0.249 0.000 0.218 126 A C 2.002 179.633 177.584 0.078 0.000 1.175 126 A CA 1.592 53.685 52.037 0.093 0.000 0.628 126 A CB -0.744 18.290 19.000 0.055 0.000 0.814 126 A HN 0.313 8.463 8.150 -0.000 0.000 0.444 127 R N -0.474 120.067 120.500 0.070 0.000 2.092 127 R HA -0.116 4.075 4.340 -0.249 0.000 0.231 127 R C 1.672 178.045 176.300 0.121 0.000 1.119 127 R CA 1.396 57.537 56.100 0.068 0.000 0.970 127 R CB -0.128 30.192 30.300 0.034 0.000 0.864 127 R HN 0.466 8.736 8.270 -0.000 0.000 0.440 128 E N 0.802 121.106 120.200 0.173 0.000 2.106 128 E HA -0.157 4.043 4.350 -0.249 0.000 0.192 128 E C 2.109 178.840 176.600 0.219 0.000 0.984 128 E CA 0.776 57.343 56.400 0.278 0.000 0.806 128 E CB -0.167 29.774 29.700 0.402 0.000 0.750 128 E HN 0.399 8.759 8.360 -0.000 0.000 0.458 129 L N 0.788 122.083 121.223 0.120 0.000 2.131 129 L HA -0.194 3.996 4.340 -0.249 0.000 0.210 129 L C 2.544 179.420 176.870 0.011 0.000 1.092 129 L CA 1.143 55.991 54.840 0.013 0.000 0.759 129 L CB -0.267 41.764 42.059 -0.047 0.000 0.903 129 L HN 0.087 8.317 8.230 -0.000 0.000 0.435 130 E N 0.794 121.028 120.200 0.055 0.000 2.072 130 E HA -0.229 3.972 4.350 -0.249 0.000 0.191 130 E C 2.122 178.788 176.600 0.110 0.000 0.985 130 E CA 1.054 57.491 56.400 0.061 0.000 0.801 130 E CB -0.279 29.455 29.700 0.057 0.000 0.750 130 E HN 0.359 8.719 8.360 -0.000 0.000 0.452 131 L N -0.201 121.126 121.223 0.172 0.000 2.013 131 L HA -0.264 3.927 4.340 -0.249 0.000 0.212 131 L C 2.251 179.342 176.870 0.368 0.000 1.073 131 L CA 1.944 56.953 54.840 0.281 0.000 0.753 131 L CB -0.398 41.853 42.059 0.319 0.000 0.890 131 L HN 0.309 8.539 8.230 -0.000 0.000 0.432 132 C N -0.277 119.189 119.300 0.276 0.000 2.413 132 C HA -0.170 4.141 4.460 -0.249 0.000 0.276 132 C C 3.082 178.130 174.990 0.098 0.000 1.236 132 C CA 0.699 59.829 59.018 0.186 0.000 1.735 132 C CB -1.581 26.184 27.740 0.040 0.000 2.031 132 C HN 0.749 8.979 8.230 -0.000 0.000 0.474 133 A N 0.559 123.414 122.820 0.058 0.000 1.940 133 A HA -0.214 3.957 4.320 -0.249 0.000 0.219 133 A C 2.260 179.904 177.584 0.099 0.000 1.176 133 A CA 1.603 53.713 52.037 0.121 0.000 0.631 133 A CB -0.536 18.542 19.000 0.130 0.000 0.814 133 A HN 0.686 8.836 8.150 -0.000 0.000 0.446 134 R N -1.904 118.642 120.500 0.076 0.000 2.066 134 R HA -0.077 4.114 4.340 -0.249 0.000 0.232 134 R C 1.903 178.158 176.300 -0.074 0.000 1.131 134 R CA 1.625 57.711 56.100 -0.023 0.000 0.955 134 R CB -0.519 29.727 30.300 -0.090 0.000 0.851 134 R HN 0.570 8.840 8.270 -0.000 0.000 0.432 135 F N 0.933 120.902 119.950 0.032 0.000 2.234 135 F HA -0.084 4.293 4.527 -0.250 0.000 0.299 135 F C 2.166 177.953 175.800 -0.021 0.000 1.087 135 F CA 0.968 58.989 58.000 0.035 0.000 1.340 135 F CB -0.104 38.971 39.000 0.125 0.000 1.031 135 F HN -0.058 8.242 8.300 -0.000 0.000 0.500 136 L N -0.067 121.206 121.223 0.083 0.000 2.240 136 L HA -0.137 4.054 4.340 -0.249 0.000 0.211 136 L C 2.390 179.258 176.870 -0.003 0.000 1.106 136 L CA 1.205 56.013 54.840 -0.053 0.000 0.793 136 L CB -0.620 41.298 42.059 -0.235 0.000 0.927 136 L HN 0.249 8.479 8.230 -0.000 0.000 0.446 137 E N 0.603 120.808 120.200 0.009 0.000 2.285 137 E HA -0.116 4.085 4.350 -0.249 0.000 0.194 137 E C 2.069 178.666 176.600 -0.005 0.000 0.997 137 E CA 0.896 57.296 56.400 -0.000 0.000 0.845 137 E CB -0.003 29.695 29.700 -0.004 0.000 0.782 137 E HN 0.358 8.718 8.360 -0.000 0.000 0.491 138 A N 1.130 123.943 122.820 -0.013 0.000 1.898 138 A HA -0.053 4.117 4.320 -0.249 0.000 0.214 138 A C 0.847 178.452 177.584 0.036 0.000 1.183 138 A CA 1.231 53.264 52.037 -0.007 0.000 0.622 138 A CB 0.125 19.099 19.000 -0.044 0.000 0.824 138 A HN 0.290 8.440 8.150 -0.000 0.000 0.444 139 D N -1.531 118.907 120.400 0.063 0.000 2.375 139 D HA 0.177 4.668 4.640 -0.249 0.000 0.241 139 D C 0.066 176.422 176.300 0.093 0.000 1.361 139 D CA -0.377 53.672 54.000 0.081 0.000 0.995 139 D CB 0.882 41.737 40.800 0.092 0.000 1.312 139 D HN 0.272 8.642 8.370 -0.000 0.000 0.576 140 E N 2.078 122.350 120.200 0.120 0.000 2.478 140 E HA -0.053 4.147 4.350 -0.249 0.000 0.198 140 E C 0.754 177.599 176.600 0.408 0.000 1.046 140 E CA 0.462 56.987 56.400 0.209 0.000 0.870 140 E CB 0.368 30.178 29.700 0.183 0.000 0.818 140 E HN 0.197 8.557 8.360 -0.000 0.000 0.527 141 R N 0.590 121.262 120.500 0.287 0.000 2.362 141 R HA 0.079 4.270 4.340 -0.249 0.000 0.227 141 R C 0.303 176.777 176.300 0.289 0.000 0.905 141 R CA -0.117 56.166 56.100 0.306 0.000 1.067 141 R CB -0.572 29.842 30.300 0.189 0.000 1.078 141 R HN 0.009 8.279 8.270 -0.000 0.000 0.516 142 N N 2.145 120.967 118.700 0.202 0.000 2.406 142 N HA -0.081 4.510 4.740 -0.249 0.000 0.269 142 N C 0.883 176.422 175.510 0.049 0.000 1.210 142 N CA -0.161 52.910 53.050 0.034 0.000 0.966 142 N CB 0.086 38.563 38.487 -0.017 0.000 1.293 142 N HN 0.141 8.521 8.380 -0.000 0.000 0.491 143 F N 2.748 122.725 119.950 0.046 0.000 2.293 143 F HA -0.045 4.333 4.527 -0.249 0.000 0.300 143 F C 1.483 177.143 175.800 -0.234 0.000 1.086 143 F CA 0.832 58.809 58.000 -0.038 0.000 1.375 143 F CB -0.511 38.388 39.000 -0.169 0.000 1.045 143 F HN 0.433 8.733 8.300 -0.000 0.000 0.516 144 H N -0.451 118.168 119.070 -0.752 0.000 2.319 144 H HA -0.184 4.223 4.556 -0.248 0.000 0.299 144 H C 2.491 177.132 175.328 -1.144 0.000 1.092 144 H CA 2.072 57.559 56.048 -0.935 0.000 1.302 144 H CB -0.883 28.057 29.762 -1.370 0.000 1.373 144 H HN 0.532 8.812 8.280 -0.000 0.000 0.497 145 C N -0.084 118.661 119.300 -0.925 0.000 2.446 145 C HA -0.150 4.160 4.460 -0.249 0.000 0.277 145 C C 2.322 177.100 174.990 -0.354 0.000 1.275 145 C CA 0.500 59.033 59.018 -0.809 0.000 1.727 145 C CB -1.410 26.064 27.740 -0.443 0.000 2.010 145 C HN 0.688 8.918 8.230 -0.000 0.000 0.486 146 W N 1.041 122.217 121.300 -0.207 0.000 2.358 146 W HA -0.071 4.442 4.660 -0.245 0.000 0.303 146 W C 2.293 178.707 176.519 -0.176 0.000 1.208 146 W CA 1.261 58.511 57.345 -0.158 0.000 1.274 146 W CB -0.425 28.960 29.460 -0.126 0.000 1.138 146 W HN 0.307 8.487 8.180 -0.000 0.000 0.515 147 D N -0.970 119.479 120.400 0.081 0.000 2.104 147 D HA -0.253 4.237 4.640 -0.249 0.000 0.194 147 D C 1.715 178.066 176.300 0.084 0.000 0.994 147 D CA 1.440 55.473 54.000 0.056 0.000 0.830 147 D CB -0.937 39.893 40.800 0.049 0.000 0.959 147 D HN 0.149 8.519 8.370 -0.000 0.000 0.452 148 Y N 1.643 121.871 120.300 -0.119 0.000 2.181 148 Y HA -0.171 4.229 4.550 -0.250 0.000 0.288 148 Y C 2.444 178.412 175.900 0.114 0.000 1.146 148 Y CA 1.594 59.706 58.100 0.019 0.000 1.164 148 Y CB -0.131 38.294 38.460 -0.059 0.000 0.982 148 Y HN -0.173 8.107 8.280 -0.000 0.000 0.515 149 R N 0.122 120.614 120.500 -0.013 0.000 2.073 149 R HA -0.182 4.008 4.340 -0.249 0.000 0.234 149 R C 2.424 178.669 176.300 -0.091 0.000 1.134 149 R CA 1.735 57.781 56.100 -0.090 0.000 0.952 149 R CB -0.218 30.031 30.300 -0.085 0.000 0.850 149 R HN 0.305 8.575 8.270 -0.000 0.000 0.433 150 R N -0.576 119.902 120.500 -0.037 0.000 2.105 150 R HA -0.188 4.003 4.340 -0.249 0.000 0.239 150 R C 2.200 178.469 176.300 -0.051 0.000 1.135 150 R CA 1.847 57.936 56.100 -0.019 0.000 0.967 150 R CB -0.481 29.815 30.300 -0.006 0.000 0.861 150 R HN 0.272 8.542 8.270 -0.000 0.000 0.442 151 F N 0.993 120.834 119.950 -0.181 0.000 2.075 151 F HA -0.200 4.177 4.527 -0.250 0.000 0.297 151 F C 1.987 177.537 175.800 -0.417 0.000 1.113 151 F CA 1.355 59.214 58.000 -0.235 0.000 1.218 151 F CB -0.423 38.478 39.000 -0.165 0.000 0.984 151 F HN -0.282 8.018 8.300 -0.000 0.000 0.472 152 V N 0.901 120.438 119.914 -0.628 0.000 2.343 152 V HA -0.292 3.679 4.120 -0.249 0.000 0.247 152 V C 2.811 178.508 176.094 -0.662 0.000 1.051 152 V CA 1.770 63.591 62.300 -0.798 0.000 1.036 152 V CB -1.636 29.947 31.823 -0.401 0.000 0.654 152 V HN 0.536 8.726 8.190 -0.000 0.000 0.451 153 A N -0.025 122.564 122.820 -0.385 0.000 1.902 153 A HA -0.128 4.042 4.320 -0.249 0.000 0.217 153 A C 2.423 179.815 177.584 -0.319 0.000 1.181 153 A CA 2.158 54.037 52.037 -0.263 0.000 0.623 153 A CB -0.737 18.207 19.000 -0.093 0.000 0.818 153 A HN 0.567 8.717 8.150 -0.000 0.000 0.443 154 A N -1.145 121.460 122.820 -0.359 0.000 1.873 154 A HA -0.165 4.005 4.320 -0.249 0.000 0.215 154 A C 2.120 179.415 177.584 -0.481 0.000 1.186 154 A CA 1.555 53.391 52.037 -0.335 0.000 0.616 154 A CB -0.522 18.320 19.000 -0.263 0.000 0.823 154 A HN 0.494 8.644 8.150 -0.000 0.000 0.442 155 Q N -0.585 118.721 119.800 -0.824 0.000 2.135 155 Q HA -0.127 4.064 4.340 -0.249 0.000 0.204 155 Q C 1.986 177.479 176.000 -0.845 0.000 0.981 155 Q CA 1.665 56.865 55.803 -1.005 0.000 0.856 155 Q CB -0.486 27.111 28.738 -1.901 0.000 0.902 155 Q HN 0.653 8.923 8.270 -0.000 0.000 0.425 156 A N -0.403 121.919 122.820 -0.829 0.000 2.345 156 A HA 0.476 4.647 4.320 -0.249 0.000 0.225 156 A C 0.926 178.376 177.584 -0.223 0.000 1.243 156 A CA 0.618 52.400 52.037 -0.426 0.000 0.875 156 A CB 0.023 18.846 19.000 -0.296 0.000 0.929 156 A HN 0.267 8.417 8.150 -0.000 0.000 0.502 157 A N -0.843 121.834 122.820 -0.239 0.000 2.687 157 A HA -0.103 4.067 4.320 -0.249 0.000 0.299 157 A C 0.313 177.830 177.584 -0.112 0.000 1.497 157 A CA 0.706 52.653 52.037 -0.149 0.000 0.751 157 A CB -2.571 16.367 19.000 -0.103 0.000 1.048 157 A HN 0.893 9.043 8.150 -0.000 0.000 0.464 158 V N 0.154 119.993 119.914 -0.125 0.000 2.555 158 V HA 0.450 4.420 4.120 -0.249 0.000 0.286 158 V C 1.167 177.221 176.094 -0.066 0.000 1.044 158 V CA 0.141 62.390 62.300 -0.085 0.000 1.026 158 V CB 1.069 32.839 31.823 -0.088 0.000 0.981 158 V HN 1.459 9.649 8.190 -0.000 0.000 0.480 159 A N 7.034 129.823 122.820 -0.052 0.000 2.388 159 A HA 0.508 4.679 4.320 -0.249 0.000 0.257 159 A C -1.092 176.462 177.584 -0.050 0.000 1.095 159 A CA -1.205 50.802 52.037 -0.050 0.000 0.791 159 A CB 0.130 19.104 19.000 -0.044 0.000 1.029 159 A HN 0.715 8.865 8.150 -0.000 0.000 0.489 160 P HA -0.266 4.154 4.420 -0.000 0.000 0.218 160 P C 1.618 178.873 177.300 -0.075 0.000 1.152 160 P CA 2.523 65.579 63.100 -0.073 0.000 0.857 160 P CB 0.117 31.774 31.700 -0.071 0.000 0.787 161 A N -0.179 122.607 122.820 -0.057 0.000 1.933 161 A HA -0.219 3.952 4.320 -0.249 0.000 0.218 161 A C 2.195 179.764 177.584 -0.025 0.000 1.175 161 A CA 1.523 53.535 52.037 -0.040 0.000 0.628 161 A CB -0.930 18.049 19.000 -0.035 0.000 0.814 161 A HN 0.119 8.269 8.150 -0.000 0.000 0.444 162 E N 0.001 120.189 120.200 -0.021 0.000 2.047 162 E HA -0.154 4.046 4.350 -0.249 0.000 0.191 162 E C 1.886 178.502 176.600 0.027 0.000 0.987 162 E CA 1.055 57.457 56.400 0.002 0.000 0.799 162 E CB -0.330 29.366 29.700 -0.007 0.000 0.752 162 E HN 0.578 8.938 8.360 -0.000 0.000 0.449 163 E N 0.792 120.988 120.200 -0.007 0.000 2.153 163 E HA -0.142 4.058 4.350 -0.249 0.000 0.194 163 E C 2.201 178.773 176.600 -0.047 0.000 0.988 163 E CA 0.307 56.707 56.400 -0.001 0.000 0.811 163 E CB -0.269 29.370 29.700 -0.102 0.000 0.746 163 E HN 0.126 8.486 8.360 -0.000 0.000 0.466 164 L N 0.811 121.978 121.223 -0.093 0.000 2.046 164 L HA -0.105 4.086 4.340 -0.249 0.000 0.208 164 L C 2.229 179.080 176.870 -0.032 0.000 1.077 164 L CA 1.836 56.621 54.840 -0.092 0.000 0.747 164 L CB -0.652 41.369 42.059 -0.063 0.000 0.896 164 L HN 0.050 8.280 8.230 -0.000 0.000 0.432 165 A N -1.209 121.619 122.820 0.013 0.000 1.902 165 A HA -0.277 3.893 4.320 -0.249 0.000 0.217 165 A C 2.260 179.883 177.584 0.065 0.000 1.181 165 A CA 1.768 53.821 52.037 0.027 0.000 0.623 165 A CB -1.127 17.897 19.000 0.039 0.000 0.818 165 A HN 0.495 8.645 8.150 -0.000 0.000 0.443 166 F N 2.096 122.036 119.950 -0.016 0.000 2.126 166 F HA -0.230 4.148 4.527 -0.248 0.000 0.299 166 F C 2.749 178.567 175.800 0.030 0.000 1.096 166 F CA 2.486 60.501 58.000 0.026 0.000 1.255 166 F CB -0.695 38.354 39.000 0.082 0.000 0.997 166 F HN 0.361 8.661 8.300 -0.000 0.000 0.479 167 T N -2.507 112.036 114.554 -0.017 0.000 2.867 167 T HA -0.182 4.019 4.350 -0.249 0.000 0.268 167 T C 1.714 176.236 174.700 -0.297 0.000 1.057 167 T CA 1.342 63.341 62.100 -0.169 0.000 1.136 167 T CB -0.710 68.052 68.868 -0.177 0.000 0.874 167 T HN 0.252 8.492 8.240 -0.000 0.000 0.466 168 D N 1.389 121.654 120.400 -0.226 0.000 2.103 168 D HA -0.130 4.361 4.640 -0.249 0.000 0.190 168 D C 2.394 178.558 176.300 -0.226 0.000 0.997 168 D CA 1.760 55.629 54.000 -0.220 0.000 0.833 168 D CB -0.756 39.969 40.800 -0.126 0.000 0.961 168 D HN 0.467 8.837 8.370 -0.000 0.000 0.447 169 S N -0.327 115.253 115.700 -0.200 0.000 2.370 169 S HA -0.138 4.183 4.470 -0.249 0.000 0.226 169 S C 2.072 176.537 174.600 -0.226 0.000 1.033 169 S CA 0.627 58.717 58.200 -0.182 0.000 1.011 169 S CB -0.255 62.852 63.200 -0.155 0.000 0.852 169 S HN 0.045 8.355 8.310 -0.000 0.000 0.457 170 L N 1.231 122.257 121.223 -0.327 0.000 2.046 170 L HA 0.027 4.218 4.340 -0.249 0.000 0.208 170 L C 2.174 178.901 176.870 -0.238 0.000 1.077 170 L CA 1.476 56.143 54.840 -0.288 0.000 0.747 170 L CB -0.573 41.288 42.059 -0.330 0.000 0.896 170 L HN 0.379 8.609 8.230 -0.000 0.000 0.432 171 I N -1.234 119.139 120.570 -0.328 0.000 2.315 171 I HA -0.261 3.760 4.170 -0.249 0.000 0.248 171 I C 2.386 178.371 176.117 -0.220 0.000 1.117 171 I CA 1.674 62.744 61.300 -0.383 0.000 1.404 171 I CB -0.486 37.083 38.000 -0.719 0.000 1.071 171 I HN 0.424 8.634 8.210 -0.000 0.000 0.419 172 T N -0.989 113.456 114.554 -0.181 0.000 2.978 172 T HA -0.109 4.091 4.350 -0.249 0.000 0.262 172 T C 1.960 176.615 174.700 -0.074 0.000 1.063 172 T CA 0.495 62.531 62.100 -0.107 0.000 1.140 172 T CB -0.343 68.470 68.868 -0.092 0.000 0.886 172 T HN 0.414 8.654 8.240 -0.000 0.000 0.470 173 R N 2.705 123.155 120.500 -0.084 0.000 2.148 173 R HA 0.040 4.230 4.340 -0.249 0.000 0.223 173 R C -0.043 176.235 176.300 -0.037 0.000 1.088 173 R CA 1.061 57.127 56.100 -0.057 0.000 0.985 173 R CB -0.502 29.759 30.300 -0.064 0.000 0.880 173 R HN 0.633 8.903 8.270 -0.000 0.000 0.451 174 N N -2.180 116.495 118.700 -0.042 0.000 3.046 174 N HA 0.342 4.932 4.740 -0.249 0.000 0.243 174 N C -0.733 174.765 175.510 -0.020 0.000 1.452 174 N CA -0.035 53.007 53.050 -0.014 0.000 0.882 174 N CB 0.346 38.833 38.487 -0.000 0.000 1.425 174 N HN 0.152 8.532 8.380 -0.000 0.000 0.517 175 F N -1.568 118.391 119.950 0.015 0.000 2.133 175 F HA 0.211 4.588 4.527 -0.249 0.000 0.502 175 F C 1.036 176.868 175.800 0.053 0.000 1.268 175 F CA -0.796 57.231 58.000 0.045 0.000 1.610 175 F CB -1.993 37.032 39.000 0.042 0.000 2.584 175 F HN 1.668 9.968 8.300 -0.000 0.000 0.723 176 S N 1.105 116.855 115.700 0.085 0.000 3.886 176 S HA -0.193 4.128 4.470 -0.249 0.000 0.398 176 S C 0.361 175.038 174.600 0.127 0.000 0.931 176 S CA 0.971 59.235 58.200 0.107 0.000 1.217 176 S CB -1.512 61.746 63.200 0.097 0.000 0.874 176 S HN 1.433 9.743 8.310 -0.000 0.000 0.521 177 N N -1.684 117.106 118.700 0.150 0.000 2.113 177 N HA 0.147 4.738 4.740 -0.249 0.000 0.223 177 N C 1.101 176.696 175.510 0.142 0.000 1.310 177 N CA -0.181 52.909 53.050 0.068 0.000 0.896 177 N CB 0.192 38.730 38.487 0.084 0.000 1.097 177 N HN 0.435 8.815 8.380 -0.000 0.000 0.507 178 Y N 1.939 122.313 120.300 0.123 0.000 2.181 178 Y HA -0.146 4.249 4.550 -0.258 0.000 0.288 178 Y C 2.375 178.285 175.900 0.017 0.000 1.146 178 Y CA 1.752 59.920 58.100 0.113 0.000 1.164 178 Y CB 0.036 38.509 38.460 0.021 0.000 0.982 178 Y HN -0.026 8.254 8.280 -0.000 0.000 0.515 179 S N -0.754 114.997 115.700 0.085 0.000 2.402 179 S HA -0.188 4.133 4.470 -0.249 0.000 0.229 179 S C 2.179 176.446 174.600 -0.555 0.000 1.021 179 S CA 1.269 59.325 58.200 -0.240 0.000 0.974 179 S CB -0.554 62.473 63.200 -0.289 0.000 0.800 179 S HN 0.679 8.989 8.310 -0.000 0.000 0.484 180 S N 0.352 115.819 115.700 -0.388 0.000 2.377 180 S HA -0.046 4.274 4.470 -0.249 0.000 0.223 180 S C 1.559 175.913 174.600 -0.410 0.000 1.030 180 S CA 0.377 58.316 58.200 -0.434 0.000 0.970 180 S CB -0.922 62.100 63.200 -0.296 0.000 0.830 180 S HN 0.689 8.999 8.310 -0.000 0.000 0.473 181 W N 1.595 122.673 121.300 -0.371 0.000 2.358 181 W HA -0.062 4.462 4.660 -0.227 0.000 0.303 181 W C 2.735 179.003 176.519 -0.419 0.000 1.208 181 W CA 1.115 58.124 57.345 -0.560 0.000 1.274 181 W CB -0.624 28.435 29.460 -0.668 0.000 1.138 181 W HN 0.541 8.721 8.180 -0.000 0.000 0.515 182 H N -1.453 117.493 119.070 -0.207 0.000 2.319 182 H HA -0.315 4.090 4.556 -0.252 0.000 0.299 182 H C 2.124 177.396 175.328 -0.094 0.000 1.092 182 H CA 2.315 58.250 56.048 -0.188 0.000 1.302 182 H CB -0.887 28.758 29.762 -0.196 0.000 1.373 182 H HN 0.109 8.389 8.280 -0.000 0.000 0.497 183 Y N 1.710 121.747 120.300 -0.438 0.000 2.165 183 Y HA -0.151 4.249 4.550 -0.251 0.000 0.286 183 Y C 2.412 178.153 175.900 -0.266 0.000 1.155 183 Y CA 1.706 59.574 58.100 -0.387 0.000 1.164 183 Y CB -0.455 37.783 38.460 -0.370 0.000 0.978 183 Y HN 0.216 8.496 8.280 -0.000 0.000 0.513 184 R N -0.375 120.040 120.500 -0.142 0.000 2.096 184 R HA -0.148 4.042 4.340 -0.249 0.000 0.235 184 R C 2.600 178.930 176.300 0.050 0.000 1.127 184 R CA 1.625 57.676 56.100 -0.082 0.000 0.968 184 R CB -0.549 29.727 30.300 -0.040 0.000 0.861 184 R HN 0.465 8.735 8.270 -0.000 0.000 0.440 185 S N -0.077 115.629 115.700 0.010 0.000 2.400 185 S HA -0.168 4.152 4.470 -0.249 0.000 0.232 185 S C 2.091 176.582 174.600 -0.182 0.000 1.025 185 S CA 1.333 59.410 58.200 -0.205 0.000 0.993 185 S CB -0.422 62.354 63.200 -0.707 0.000 0.808 185 S HN 0.387 8.697 8.310 -0.000 0.000 0.478 186 C N 0.623 119.804 119.300 -0.198 0.000 2.504 186 C HA 0.403 4.714 4.460 -0.249 0.000 0.279 186 C C 2.600 177.581 174.990 -0.016 0.000 1.358 186 C CA -0.206 58.757 59.018 -0.093 0.000 1.747 186 C CB -1.409 26.284 27.740 -0.080 0.000 2.037 186 C HN 0.553 8.783 8.230 -0.000 0.000 0.503 187 L N 0.381 121.569 121.223 -0.058 0.000 2.044 187 L HA -0.083 4.108 4.340 -0.249 0.000 0.205 187 L C 2.573 179.454 176.870 0.018 0.000 1.075 187 L CA 1.291 56.084 54.840 -0.078 0.000 0.747 187 L CB -0.600 41.319 42.059 -0.233 0.000 0.903 187 L HN 0.323 8.553 8.230 -0.000 0.000 0.435 188 L N -0.149 121.130 121.223 0.093 0.000 2.013 188 L HA -0.198 3.992 4.340 -0.249 0.000 0.212 188 L C -0.203 176.798 176.870 0.220 0.000 1.073 188 L CA 1.689 56.646 54.840 0.196 0.000 0.753 188 L CB -1.676 40.537 42.059 0.256 0.000 0.890 188 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 189 P HA -0.182 4.238 4.420 -0.000 0.000 0.219 189 P C 1.343 178.700 177.300 0.095 0.000 1.146 189 P CA 1.227 64.418 63.100 0.153 0.000 0.808 189 P CB 0.010 31.799 31.700 0.148 0.000 0.779 190 Q N -1.042 118.792 119.800 0.056 0.000 2.172 190 Q HA -0.022 4.169 4.340 -0.249 0.000 0.200 190 Q C 2.061 178.034 176.000 -0.045 0.000 0.964 190 Q CA 0.910 56.717 55.803 0.007 0.000 0.855 190 Q CB -0.525 28.209 28.738 -0.007 0.000 0.918 190 Q HN 0.290 8.560 8.270 -0.000 0.000 0.444 191 L N -0.472 120.704 121.223 -0.078 0.000 2.156 191 L HA -0.122 4.069 4.340 -0.249 0.000 0.208 191 L C 0.256 176.800 176.870 -0.542 0.000 1.095 191 L CA 0.934 55.588 54.840 -0.310 0.000 0.770 191 L CB 0.125 41.966 42.059 -0.362 0.000 0.914 191 L HN 0.244 8.474 8.230 -0.000 0.000 0.439 192 H N -1.780 117.295 119.070 0.010 0.000 2.380 192 H HA 0.255 4.663 4.556 -0.248 0.000 0.231 192 H C -2.288 173.046 175.328 0.010 0.000 1.415 192 H CA -1.661 54.391 56.048 0.007 0.000 1.433 192 H CB 0.115 29.881 29.762 0.006 0.000 1.544 192 H HN 0.029 8.309 8.280 -0.000 0.000 0.503 193 P HA 0.310 4.730 4.420 -0.000 0.000 0.312 193 P C -0.595 176.731 177.300 0.043 0.000 1.308 193 P CA -0.685 62.442 63.100 0.046 0.000 0.743 193 P CB 1.311 33.020 31.700 0.015 0.000 1.364 194 Q N -1.556 118.263 119.800 0.032 0.000 2.964 194 Q HA 0.236 4.426 4.340 -0.249 0.000 0.215 194 Q C -2.643 173.373 176.000 0.027 0.000 1.019 194 Q CA -0.931 54.889 55.803 0.029 0.000 0.990 194 Q CB -0.195 28.564 28.738 0.034 0.000 2.131 194 Q HN 0.381 8.651 8.270 -0.000 0.000 0.522 203 L N 3.186 124.313 121.223 -0.160 0.000 2.334 203 L HA 0.776 4.967 4.340 -0.249 0.000 0.273 203 L C -2.004 174.785 176.870 -0.135 0.000 1.013 203 L CA -2.408 52.347 54.840 -0.142 0.000 0.816 203 L CB 2.539 44.470 42.059 -0.214 0.000 1.278 203 L HN 0.477 8.707 8.230 -0.000 0.000 0.431 204 P HA 0.008 4.428 4.420 -0.000 0.000 0.269 204 P C 0.316 177.532 177.300 -0.140 0.000 1.209 204 P CA -0.128 62.901 63.100 -0.118 0.000 0.776 204 P CB 0.749 32.376 31.700 -0.121 0.000 0.876 205 E N 2.662 122.799 120.200 -0.105 0.000 2.077 205 E HA -0.280 3.921 4.350 -0.249 0.000 0.193 205 E C 1.616 178.156 176.600 -0.100 0.000 0.989 205 E CA 1.442 57.782 56.400 -0.100 0.000 0.800 205 E CB -0.206 29.450 29.700 -0.074 0.000 0.746 205 E HN 0.480 8.840 8.360 -0.000 0.000 0.452 206 N N 0.590 119.235 118.700 -0.093 0.000 2.166 206 N HA -0.162 4.428 4.740 -0.249 0.000 0.186 206 N C 1.885 177.331 175.510 -0.107 0.000 1.019 206 N CA 1.737 54.738 53.050 -0.081 0.000 0.856 206 N CB -0.611 37.841 38.487 -0.059 0.000 0.993 206 N HN 0.142 8.522 8.380 -0.000 0.000 0.426 207 V N 1.775 121.580 119.914 -0.182 0.000 2.261 207 V HA -0.171 3.799 4.120 -0.249 0.000 0.246 207 V C 2.719 178.732 176.094 -0.135 0.000 1.047 207 V CA 1.323 63.487 62.300 -0.226 0.000 1.015 207 V CB -0.789 30.754 31.823 -0.468 0.000 0.642 207 V HN 0.246 8.436 8.190 -0.000 0.000 0.446 208 L N -0.638 120.495 121.223 -0.151 0.000 1.990 208 L HA -0.229 3.961 4.340 -0.249 0.000 0.213 208 L C 2.391 179.205 176.870 -0.093 0.000 1.072 208 L CA 1.822 56.576 54.840 -0.144 0.000 0.755 208 L CB -0.232 41.721 42.059 -0.176 0.000 0.889 208 L HN 0.266 8.496 8.230 -0.000 0.000 0.432 209 L N -0.517 120.660 121.223 -0.076 0.000 2.042 209 L HA -0.284 3.906 4.340 -0.249 0.000 0.210 209 L C 2.622 179.478 176.870 -0.022 0.000 1.076 209 L CA 1.560 56.373 54.840 -0.045 0.000 0.749 209 L CB -0.500 41.535 42.059 -0.040 0.000 0.893 209 L HN 0.234 8.464 8.230 -0.000 0.000 0.432 210 K N -0.477 119.910 120.400 -0.021 0.000 2.057 210 K HA -0.170 4.001 4.320 -0.249 0.000 0.207 210 K C 2.168 178.788 176.600 0.035 0.000 1.049 210 K CA 1.113 57.402 56.287 0.003 0.000 0.931 210 K CB -0.017 32.483 32.500 0.001 0.000 0.714 210 K HN 0.152 8.402 8.250 -0.000 0.000 0.440 211 E N 0.908 121.138 120.200 0.049 0.000 2.051 211 E HA -0.158 4.043 4.350 -0.249 0.000 0.192 211 E C 2.059 178.725 176.600 0.110 0.000 0.991 211 E CA 1.025 57.506 56.400 0.136 0.000 0.799 211 E CB -0.216 29.581 29.700 0.162 0.000 0.748 211 E HN 0.284 8.644 8.360 -0.000 0.000 0.449 212 L N 0.629 121.873 121.223 0.035 0.000 2.079 212 L HA -0.218 3.972 4.340 -0.249 0.000 0.210 212 L C 2.617 179.485 176.870 -0.004 0.000 1.081 212 L CA 1.544 56.402 54.840 0.030 0.000 0.752 212 L CB -0.333 41.735 42.059 0.016 0.000 0.896 212 L HN 0.183 8.413 8.230 -0.000 0.000 0.433 213 E N 0.288 120.489 120.200 0.000 0.000 2.072 213 E HA -0.258 3.943 4.350 -0.249 0.000 0.191 213 E C 2.214 178.794 176.600 -0.034 0.000 0.985 213 E CA 0.915 57.305 56.400 -0.017 0.000 0.801 213 E CB -0.023 29.677 29.700 -0.000 0.000 0.750 213 E HN 0.266 8.626 8.360 -0.000 0.000 0.452 214 L N 0.353 121.588 121.223 0.020 0.000 2.017 214 L HA -0.113 4.077 4.340 -0.249 0.000 0.208 214 L C 2.378 179.282 176.870 0.057 0.000 1.073 214 L CA 1.394 56.275 54.840 0.068 0.000 0.745 214 L CB -0.560 41.590 42.059 0.152 0.000 0.894 214 L HN 0.163 8.393 8.230 -0.000 0.000 0.432 215 V N -0.533 119.364 119.914 -0.027 0.000 2.548 215 V HA -0.228 3.743 4.120 -0.249 0.000 0.249 215 V C 2.518 178.113 176.094 -0.831 0.000 1.055 215 V CA 1.871 63.973 62.300 -0.330 0.000 1.065 215 V CB -0.255 31.373 31.823 -0.324 0.000 0.681 215 V HN 0.725 8.915 8.190 -0.000 0.000 0.462 216 Q N -0.050 119.244 119.800 -0.844 0.000 2.119 216 Q HA -0.209 3.981 4.340 -0.249 0.000 0.201 216 Q C 1.977 177.461 176.000 -0.860 0.000 0.972 216 Q CA 1.829 56.792 55.803 -1.400 0.000 0.847 216 Q CB -0.304 28.075 28.738 -0.598 0.000 0.903 216 Q HN 0.659 8.929 8.270 -0.000 0.000 0.433 217 N N 1.146 119.639 118.700 -0.345 0.000 2.061 217 N HA -0.178 4.412 4.740 -0.249 0.000 0.193 217 N C 1.754 177.156 175.510 -0.180 0.000 1.030 217 N CA 1.771 54.740 53.050 -0.135 0.000 0.856 217 N CB -0.616 37.837 38.487 -0.057 0.000 1.023 217 N HN 0.373 8.753 8.380 -0.000 0.000 0.424 218 A N 1.191 123.864 122.820 -0.244 0.000 1.865 218 A HA -0.153 4.017 4.320 -0.249 0.000 0.217 218 A C 1.930 179.383 177.584 -0.218 0.000 1.191 218 A CA 1.784 53.741 52.037 -0.133 0.000 0.623 218 A CB -1.084 17.948 19.000 0.053 0.000 0.826 218 A HN 0.432 8.582 8.150 -0.000 0.000 0.444 219 F N -2.563 117.082 119.950 -0.509 0.000 2.661 219 F HA 0.245 4.663 4.527 -0.181 0.000 0.298 219 F C 1.344 176.843 175.800 -0.501 0.000 1.137 219 F CA -0.301 57.241 58.000 -0.763 0.000 1.454 219 F CB -0.894 37.061 39.000 -1.741 0.000 1.103 219 F HN 0.087 8.387 8.300 -0.000 0.000 0.577 220 F N 1.114 121.071 119.950 0.013 0.000 2.335 220 F HA 0.048 4.430 4.527 -0.242 0.000 0.296 220 F C 2.408 178.243 175.800 0.058 0.000 1.091 220 F CA 1.064 59.118 58.000 0.090 0.000 1.399 220 F CB -1.324 37.694 39.000 0.030 0.000 1.067 220 F HN -0.048 8.252 8.300 -0.000 0.000 0.520 221 T N -1.274 113.377 114.554 0.162 0.000 2.746 221 T HA -0.169 4.032 4.350 -0.249 0.000 0.267 221 T C 0.439 175.207 174.700 0.113 0.000 1.039 221 T CA 1.701 63.866 62.100 0.109 0.000 1.142 221 T CB -0.238 68.663 68.868 0.055 0.000 0.866 221 T HN -0.006 8.234 8.240 -0.000 0.000 0.444 222 D N 0.220 120.684 120.400 0.107 0.000 2.364 222 D HA 0.287 4.777 4.640 -0.249 0.000 0.251 222 D C -2.392 174.008 176.300 0.167 0.000 1.282 222 D CA -2.242 51.833 54.000 0.125 0.000 0.927 222 D CB 1.375 42.233 40.800 0.097 0.000 1.267 222 D HN -0.060 8.310 8.370 -0.000 0.000 0.531 223 P HA -0.028 4.392 4.420 -0.000 0.000 0.228 223 P C 0.943 178.513 177.300 0.449 0.000 1.151 223 P CA 0.448 63.792 63.100 0.406 0.000 0.770 223 P CB 0.305 32.243 31.700 0.396 0.000 0.786 224 N N -0.066 118.807 118.700 0.289 0.000 2.453 224 N HA -0.108 4.482 4.740 -0.249 0.000 0.183 224 N C 0.321 175.941 175.510 0.183 0.000 1.041 224 N CA 1.064 54.265 53.050 0.253 0.000 0.900 224 N CB -0.512 38.091 38.487 0.193 0.000 0.961 224 N HN 0.296 8.676 8.380 -0.000 0.000 0.443 225 D N 0.453 120.947 120.400 0.157 0.000 2.473 225 D HA 0.036 4.527 4.640 -0.249 0.000 0.226 225 D C 1.238 177.540 176.300 0.005 0.000 1.089 225 D CA -0.568 53.483 54.000 0.084 0.000 0.883 225 D CB 0.522 41.368 40.800 0.077 0.000 1.029 225 D HN 0.158 8.528 8.370 -0.000 0.000 0.517 226 Q N 2.354 122.099 119.800 -0.091 0.000 2.226 226 Q HA -0.222 3.969 4.340 -0.249 0.000 0.204 226 Q C 1.244 177.271 176.000 0.044 0.000 0.975 226 Q CA 1.643 57.222 55.803 -0.373 0.000 0.866 226 Q CB -0.217 28.256 28.738 -0.442 0.000 0.915 226 Q HN 0.430 8.700 8.270 -0.000 0.000 0.440 227 S N 0.828 116.635 115.700 0.178 0.000 2.368 227 S HA -0.067 4.253 4.470 -0.249 0.000 0.225 227 S C 2.198 176.721 174.600 -0.128 0.000 1.030 227 S CA 0.821 59.168 58.200 0.245 0.000 0.999 227 S CB -0.513 62.897 63.200 0.350 0.000 0.844 227 S HN 0.545 8.855 8.310 -0.000 0.000 0.459 228 A N 0.767 123.409 122.820 -0.296 0.000 1.933 228 A HA 0.027 4.197 4.320 -0.249 0.000 0.218 228 A C 1.899 179.310 177.584 -0.288 0.000 1.175 228 A CA 1.196 52.873 52.037 -0.601 0.000 0.628 228 A CB -1.258 17.452 19.000 -0.482 0.000 0.814 228 A HN 0.788 8.938 8.150 -0.000 0.000 0.444 229 W N -1.626 119.586 121.300 -0.147 0.000 2.388 229 W HA -0.006 4.598 4.660 -0.093 0.000 0.294 229 W C 1.949 178.421 176.519 -0.078 0.000 1.212 229 W CA 0.370 57.597 57.345 -0.198 0.000 1.271 229 W CB -0.492 28.722 29.460 -0.410 0.000 1.126 229 W HN 0.329 8.509 8.180 -0.000 0.000 0.535 230 F N -1.487 118.559 119.950 0.160 0.000 2.113 230 F HA -0.227 4.197 4.527 -0.172 0.000 0.297 230 F C 2.348 178.236 175.800 0.148 0.000 1.103 230 F CA 1.602 59.714 58.000 0.186 0.000 1.248 230 F CB -1.118 38.029 39.000 0.245 0.000 0.999 230 F HN -0.159 8.141 8.300 -0.000 0.000 0.475 231 Y N -0.314 120.017 120.300 0.051 0.000 2.224 231 Y HA -0.286 4.112 4.550 -0.254 0.000 0.289 231 Y C 2.873 178.831 175.900 0.096 0.000 1.146 231 Y CA 2.014 60.096 58.100 -0.030 0.000 1.182 231 Y CB -0.721 37.469 38.460 -0.450 0.000 0.983 231 Y HN 0.129 8.409 8.280 -0.000 0.000 0.524 232 H N 0.406 119.494 119.070 0.030 0.000 2.353 232 H HA -0.167 4.230 4.556 -0.265 0.000 0.300 232 H C 2.441 177.790 175.328 0.036 0.000 1.090 232 H CA 1.784 57.846 56.048 0.024 0.000 1.327 232 H CB -0.081 29.770 29.762 0.147 0.000 1.383 232 H HN 0.338 8.618 8.280 -0.000 0.000 0.508 233 R N -0.395 120.195 120.500 0.149 0.000 2.091 233 R HA -0.200 3.990 4.340 -0.249 0.000 0.238 233 R C 2.394 178.720 176.300 0.043 0.000 1.136 233 R CA 1.961 58.114 56.100 0.089 0.000 0.959 233 R CB -0.579 29.818 30.300 0.161 0.000 0.856 233 R HN 0.378 8.648 8.270 -0.000 0.000 0.437 234 W N 1.182 122.414 121.300 -0.114 0.000 2.335 234 W HA -0.179 4.324 4.660 -0.261 0.000 0.311 234 W C 1.566 177.935 176.519 -0.250 0.000 1.213 234 W CA 1.460 58.707 57.345 -0.164 0.000 1.274 234 W CB -0.490 28.849 29.460 -0.200 0.000 1.148 234 W HN 0.061 8.241 8.180 -0.000 0.000 0.498 235 L N 0.078 121.013 121.223 -0.480 0.000 2.079 235 L HA -0.256 3.934 4.340 -0.249 0.000 0.210 235 L C 2.430 178.988 176.870 -0.520 0.000 1.081 235 L CA 0.989 55.434 54.840 -0.657 0.000 0.752 235 L CB -1.108 40.659 42.059 -0.486 0.000 0.896 235 L HN 0.059 8.289 8.230 -0.000 0.000 0.433 236 L N -0.173 120.787 121.223 -0.439 0.000 2.275 236 L HA -0.073 4.117 4.340 -0.249 0.000 0.215 236 L C 2.235 178.958 176.870 -0.245 0.000 1.119 236 L CA 1.731 56.374 54.840 -0.328 0.000 0.790 236 L CB -0.882 41.003 42.059 -0.290 0.000 0.919 236 L HN 0.163 8.393 8.230 -0.000 0.000 0.443 237 G N -2.406 106.238 108.800 -0.260 0.000 2.796 237 G HA2 0.116 3.926 3.960 -0.249 0.000 0.210 237 G HA3 0.116 3.926 3.960 -0.249 0.000 0.210 237 G C 1.249 175.979 174.900 -0.284 0.000 1.146 237 G CA 0.424 45.402 45.100 -0.205 0.000 0.779 237 G HN 0.393 8.683 8.290 -0.000 0.000 0.535 238 A N 0.102 122.631 122.820 -0.485 0.000 2.327 238 A HA 0.567 4.738 4.320 -0.249 0.000 0.228 238 A C 1.183 178.549 177.584 -0.363 0.000 1.275 238 A CA 0.652 52.359 52.037 -0.550 0.000 0.875 238 A CB -0.330 18.030 19.000 -1.067 0.000 0.925 238 A HN 1.275 9.425 8.150 -0.000 0.000 0.493 239 G N -1.295 107.341 108.800 -0.274 0.000 2.927 239 G HA2 0.455 4.266 3.960 -0.249 0.000 0.234 239 G HA3 0.455 4.266 3.960 -0.249 0.000 0.234 239 G C -0.236 174.540 174.900 -0.208 0.000 3.444 239 G CA 0.178 45.133 45.100 -0.241 0.000 0.715 239 G HN 1.187 9.477 8.290 -0.000 0.000 0.422 240 S N -2.349 113.259 115.700 -0.155 0.000 4.157 240 S HA 0.411 4.732 4.470 -0.249 0.000 0.649 240 S C 0.473 175.020 174.600 -0.089 0.000 0.865 240 S CA 0.377 58.506 58.200 -0.119 0.000 1.052 240 S CB -0.785 62.340 63.200 -0.126 0.000 0.343 240 S HN 2.222 10.532 8.310 -0.000 0.000 1.409 241 G N 0.307 109.065 108.800 -0.069 0.000 4.613 241 G HA2 0.606 4.416 3.960 -0.249 0.000 0.232 241 G HA3 0.606 4.416 3.960 -0.249 0.000 0.232 241 G C -0.193 174.682 174.900 -0.043 0.000 0.947 241 G CA 1.241 46.304 45.100 -0.062 0.000 0.715 241 G HN 0.920 9.210 8.290 -0.000 0.000 0.518 242 R N -0.598 119.880 120.500 -0.036 0.000 1.006 242 R HA 0.455 4.646 4.340 -0.249 0.000 0.064 242 R C 2.088 178.363 176.300 -0.042 0.000 0.561 242 R CA 0.770 56.846 56.100 -0.040 0.000 2.109 242 R CB -1.257 29.025 30.300 -0.030 0.000 0.629 242 R HN 0.959 9.229 8.270 -0.000 0.000 0.779 243 C N 1.045 120.325 119.300 -0.035 0.000 3.856 243 C HA -0.162 4.149 4.460 -0.249 0.000 0.290 243 C C 0.730 175.708 174.990 -0.020 0.000 1.569 243 C CA 1.410 60.415 59.018 -0.022 0.000 2.129 243 C CB -2.815 24.915 27.740 -0.016 0.000 1.330 243 C HN 0.852 9.082 8.230 -0.000 0.000 0.738 244 E N -0.207 119.978 120.200 -0.025 0.000 2.698 244 E HA 0.503 4.703 4.350 -0.249 0.000 0.242 244 E C -0.266 176.318 176.600 -0.025 0.000 1.243 244 E CA -0.583 55.803 56.400 -0.023 0.000 1.483 244 E CB 0.108 29.794 29.700 -0.023 0.000 1.495 244 E HN 0.611 8.971 8.360 -0.000 0.000 0.440 245 L N 2.576 123.785 121.223 -0.023 0.000 2.534 245 L HA 0.016 4.206 4.340 -0.249 0.000 0.271 245 L C 0.970 177.829 176.870 -0.019 0.000 1.178 245 L CA -0.145 54.681 54.840 -0.023 0.000 0.907 245 L CB 0.322 42.372 42.059 -0.015 0.000 1.164 245 L HN 0.449 8.679 8.230 -0.000 0.000 0.482 246 S N 2.427 118.113 115.700 -0.022 0.000 2.580 246 S HA 0.011 4.332 4.470 -0.249 0.000 0.266 246 S C 1.120 175.713 174.600 -0.012 0.000 1.354 246 S CA -0.338 57.851 58.200 -0.018 0.000 1.008 246 S CB 1.423 64.610 63.200 -0.022 0.000 0.898 246 S HN 0.468 8.778 8.310 -0.000 0.000 0.555 247 V N 0.973 120.882 119.914 -0.009 0.000 2.407 247 V HA -0.163 3.808 4.120 -0.249 0.000 0.248 247 V C 2.543 178.635 176.094 -0.004 0.000 1.055 247 V CA 2.624 64.922 62.300 -0.005 0.000 1.049 247 V CB -1.028 30.793 31.823 -0.004 0.000 0.662 247 V HN 1.061 9.251 8.190 -0.000 0.000 0.455 248 E N -0.374 119.821 120.200 -0.008 0.000 2.072 248 E HA -0.275 3.925 4.350 -0.249 0.000 0.191 248 E C 2.347 178.942 176.600 -0.008 0.000 0.985 248 E CA 1.600 57.996 56.400 -0.007 0.000 0.801 248 E CB -0.208 29.485 29.700 -0.011 0.000 0.750 248 E HN 0.648 9.008 8.360 -0.000 0.000 0.452 249 K N 0.086 120.477 120.400 -0.015 0.000 2.062 249 K HA -0.105 4.066 4.320 -0.249 0.000 0.205 249 K C 2.330 178.925 176.600 -0.008 0.000 1.051 249 K CA 1.196 57.472 56.287 -0.019 0.000 0.941 249 K CB -0.193 32.287 32.500 -0.034 0.000 0.719 249 K HN -0.009 8.241 8.250 -0.000 0.000 0.440 250 S N -0.052 115.646 115.700 -0.004 0.000 2.365 250 S HA -0.177 4.144 4.470 -0.249 0.000 0.225 250 S C 1.756 176.366 174.600 0.017 0.000 1.039 250 S CA 2.268 60.472 58.200 0.008 0.000 1.033 250 S CB -0.509 62.697 63.200 0.010 0.000 0.887 250 S HN 0.480 8.790 8.310 -0.000 0.000 0.447 251 T N 1.384 115.946 114.554 0.014 0.000 2.777 251 T HA -0.024 4.177 4.350 -0.249 0.000 0.266 251 T C 1.862 176.576 174.700 0.023 0.000 1.040 251 T CA 1.361 63.472 62.100 0.019 0.000 1.141 251 T CB -0.497 68.379 68.868 0.013 0.000 0.868 251 T HN 0.267 8.507 8.240 -0.000 0.000 0.444 252 V N 1.655 121.580 119.914 0.019 0.000 2.343 252 V HA -0.124 3.847 4.120 -0.249 0.000 0.247 252 V C 2.484 178.605 176.094 0.045 0.000 1.051 252 V CA 1.501 63.818 62.300 0.029 0.000 1.036 252 V CB -0.663 31.171 31.823 0.018 0.000 0.654 252 V HN 0.447 8.637 8.190 -0.000 0.000 0.451 253 L N -0.659 120.584 121.223 0.033 0.000 2.093 253 L HA -0.173 4.017 4.340 -0.249 0.000 0.208 253 L C 2.754 179.644 176.870 0.033 0.000 1.085 253 L CA 1.275 56.139 54.840 0.038 0.000 0.755 253 L CB -0.677 41.388 42.059 0.010 0.000 0.904 253 L HN 0.338 8.568 8.230 -0.000 0.000 0.435 254 Q N -0.633 119.184 119.800 0.029 0.000 2.124 254 Q HA -0.189 4.002 4.340 -0.249 0.000 0.202 254 Q C 2.466 178.488 176.000 0.037 0.000 0.977 254 Q CA 1.767 57.587 55.803 0.028 0.000 0.850 254 Q CB -0.338 28.427 28.738 0.045 0.000 0.901 254 Q HN 0.411 8.681 8.270 -0.000 0.000 0.429 255 S N 0.668 116.396 115.700 0.046 0.000 2.368 255 S HA -0.156 4.165 4.470 -0.249 0.000 0.225 255 S C 1.732 176.387 174.600 0.091 0.000 1.030 255 S CA 1.045 59.278 58.200 0.055 0.000 0.999 255 S CB 0.049 63.278 63.200 0.048 0.000 0.844 255 S HN 0.333 8.643 8.310 -0.000 0.000 0.459 256 E N 0.344 120.617 120.200 0.123 0.000 2.085 256 E HA -0.171 4.029 4.350 -0.249 0.000 0.194 256 E C 2.072 178.772 176.600 0.168 0.000 0.994 256 E CA 1.337 57.857 56.400 0.201 0.000 0.801 256 E CB -0.343 29.485 29.700 0.214 0.000 0.743 256 E HN 0.418 8.778 8.360 -0.000 0.000 0.453 257 L N 1.828 123.093 121.223 0.071 0.000 1.990 257 L HA -0.222 3.969 4.340 -0.249 0.000 0.213 257 L C 2.015 178.901 176.870 0.028 0.000 1.072 257 L CA 1.929 56.767 54.840 -0.003 0.000 0.755 257 L CB -0.415 41.589 42.059 -0.091 0.000 0.889 257 L HN -0.025 8.205 8.230 -0.000 0.000 0.432 258 E N -0.448 119.777 120.200 0.042 0.000 2.150 258 E HA -0.118 4.083 4.350 -0.249 0.000 0.193 258 E C 2.269 178.904 176.600 0.058 0.000 0.985 258 E CA 1.299 57.724 56.400 0.043 0.000 0.814 258 E CB -0.343 29.376 29.700 0.032 0.000 0.752 258 E HN 0.548 8.908 8.360 -0.000 0.000 0.466 259 S N 0.289 116.044 115.700 0.092 0.000 2.402 259 S HA -0.117 4.203 4.470 -0.249 0.000 0.229 259 S C 2.165 176.922 174.600 0.262 0.000 1.021 259 S CA 0.802 59.042 58.200 0.066 0.000 0.974 259 S CB -0.251 62.967 63.200 0.030 0.000 0.800 259 S HN 0.329 8.639 8.310 -0.000 0.000 0.484 260 C N 1.808 121.311 119.300 0.339 0.000 2.457 260 C HA 0.050 4.361 4.460 -0.249 0.000 0.278 260 C C 2.557 177.650 174.990 0.171 0.000 1.309 260 C CA 0.323 59.523 59.018 0.304 0.000 1.735 260 C CB -0.870 26.964 27.740 0.156 0.000 1.992 260 C HN 0.579 8.809 8.230 -0.000 0.000 0.493 261 K N 1.016 121.481 120.400 0.109 0.000 2.057 261 K HA -0.133 4.038 4.320 -0.249 0.000 0.207 261 K C 2.367 179.025 176.600 0.097 0.000 1.049 261 K CA 1.972 58.320 56.287 0.102 0.000 0.931 261 K CB -0.299 32.252 32.500 0.084 0.000 0.714 261 K HN 0.659 8.909 8.250 -0.000 0.000 0.440 262 E N 1.693 121.939 120.200 0.077 0.000 2.038 262 E HA -0.202 3.998 4.350 -0.249 0.000 0.195 262 E C 1.870 178.521 176.600 0.085 0.000 1.000 262 E CA 1.587 58.017 56.400 0.050 0.000 0.803 262 E CB -0.963 28.729 29.700 -0.013 0.000 0.750 262 E HN 0.219 8.579 8.360 -0.000 0.000 0.448 263 L N 0.816 122.131 121.223 0.153 0.000 2.043 263 L HA -0.219 3.972 4.340 -0.249 0.000 0.212 263 L C 2.728 179.695 176.870 0.163 0.000 1.075 263 L CA 2.916 57.892 54.840 0.227 0.000 0.752 263 L CB -0.559 41.770 42.059 0.449 0.000 0.891 263 L HN 0.595 8.825 8.230 -0.000 0.000 0.432 264 Q N -0.596 119.286 119.800 0.135 0.000 2.061 264 Q HA -0.309 3.882 4.340 -0.249 0.000 0.204 264 Q C 2.245 178.289 176.000 0.074 0.000 0.984 264 Q CA 2.281 58.141 55.803 0.095 0.000 0.846 264 Q CB -0.230 28.575 28.738 0.112 0.000 0.902 264 Q HN 0.722 8.992 8.270 -0.000 0.000 0.421 265 E N -0.192 120.051 120.200 0.072 0.000 2.077 265 E HA -0.191 4.009 4.350 -0.249 0.000 0.193 265 E C 2.069 178.701 176.600 0.053 0.000 0.989 265 E CA 1.183 57.614 56.400 0.052 0.000 0.800 265 E CB -0.036 29.692 29.700 0.046 0.000 0.746 265 E HN 0.429 8.789 8.360 -0.000 0.000 0.452 266 L N 0.253 121.517 121.223 0.069 0.000 2.109 266 L HA -0.029 4.161 4.340 -0.249 0.000 0.207 266 L C 0.703 177.619 176.870 0.077 0.000 1.086 266 L CA 0.702 55.585 54.840 0.072 0.000 0.760 266 L CB 0.037 42.150 42.059 0.089 0.000 0.910 266 L HN -0.039 8.191 8.230 -0.000 0.000 0.437 267 E N -0.107 120.146 120.200 0.088 0.000 2.795 267 E HA 0.207 4.408 4.350 -0.249 0.000 0.226 267 E C -2.005 174.626 176.600 0.053 0.000 1.088 267 E CA -1.541 54.908 56.400 0.082 0.000 0.812 267 E CB 1.215 30.986 29.700 0.118 0.000 1.328 267 E HN 0.086 8.446 8.360 -0.000 0.000 0.410 268 P HA 0.008 4.428 4.420 -0.000 0.000 0.241 268 P C 0.900 178.197 177.300 -0.005 0.000 1.191 268 P CA 0.657 63.765 63.100 0.013 0.000 0.771 268 P CB 0.368 32.074 31.700 0.010 0.000 0.929 269 E N -0.362 119.839 120.200 0.001 0.000 2.463 269 E HA 0.016 4.217 4.350 -0.249 0.000 0.193 269 E C 0.635 177.213 176.600 -0.037 0.000 1.041 269 E CA -0.203 56.186 56.400 -0.017 0.000 0.879 269 E CB -0.846 28.854 29.700 0.001 0.000 0.997 269 E HN 0.099 8.459 8.360 -0.000 0.000 0.478 270 N N 1.197 119.880 118.700 -0.028 0.000 2.402 270 N HA 0.032 4.622 4.740 -0.249 0.000 0.252 270 N C 0.970 176.364 175.510 -0.194 0.000 1.118 270 N CA 0.258 53.277 53.050 -0.051 0.000 0.945 270 N CB 1.360 39.860 38.487 0.023 0.000 1.147 270 N HN 0.343 8.723 8.380 -0.000 0.000 0.495 271 K N 3.589 123.780 120.400 -0.348 0.000 2.228 271 K HA 0.009 4.180 4.320 -0.249 0.000 0.202 271 K C 1.341 177.566 176.600 -0.625 0.000 1.051 271 K CA 0.927 56.925 56.287 -0.481 0.000 0.960 271 K CB -0.255 31.907 32.500 -0.562 0.000 0.743 271 K HN 0.449 8.699 8.250 -0.000 0.000 0.458 272 W N 0.650 121.573 121.300 -0.628 0.000 2.363 272 W HA -0.119 4.367 4.660 -0.289 0.000 0.296 272 W C 2.427 178.131 176.519 -1.358 0.000 1.212 272 W CA 0.612 57.286 57.345 -1.117 0.000 1.260 272 W CB -1.012 27.310 29.460 -1.897 0.000 1.131 272 W HN 0.284 8.464 8.180 -0.000 0.000 0.530 273 C N 0.527 119.250 119.300 -0.961 0.000 2.429 273 C HA -0.154 4.156 4.460 -0.249 0.000 0.277 273 C C 2.603 177.376 174.990 -0.361 0.000 1.262 273 C CA 1.115 59.731 59.018 -0.669 0.000 1.733 273 C CB -1.314 26.272 27.740 -0.257 0.000 2.010 273 C HN 0.334 8.564 8.230 -0.000 0.000 0.483 274 L N 0.197 121.254 121.223 -0.276 0.000 2.017 274 L HA -0.133 4.057 4.340 -0.249 0.000 0.208 274 L C 2.702 179.435 176.870 -0.228 0.000 1.073 274 L CA 1.325 56.075 54.840 -0.148 0.000 0.745 274 L CB -0.820 41.193 42.059 -0.076 0.000 0.894 274 L HN 0.418 8.648 8.230 -0.000 0.000 0.432 275 L N -0.423 120.637 121.223 -0.272 0.000 2.046 275 L HA -0.218 3.973 4.340 -0.249 0.000 0.208 275 L C 2.580 179.339 176.870 -0.186 0.000 1.077 275 L CA 1.768 56.471 54.840 -0.227 0.000 0.747 275 L CB -0.368 41.573 42.059 -0.198 0.000 0.896 275 L HN 0.332 8.562 8.230 -0.000 0.000 0.432 276 T N 0.250 114.682 114.554 -0.203 0.000 2.746 276 T HA -0.186 4.014 4.350 -0.249 0.000 0.267 276 T C 1.857 176.479 174.700 -0.129 0.000 1.039 276 T CA 1.492 63.535 62.100 -0.095 0.000 1.142 276 T CB -0.241 68.585 68.868 -0.070 0.000 0.866 276 T HN 0.240 8.480 8.240 -0.000 0.000 0.444 277 I N 0.651 121.076 120.570 -0.242 0.000 2.151 277 I HA -0.195 3.825 4.170 -0.249 0.000 0.243 277 I C 2.224 178.100 176.117 -0.402 0.000 1.080 277 I CA 1.422 62.497 61.300 -0.375 0.000 1.339 277 I CB -0.397 37.215 38.000 -0.647 0.000 1.039 277 I HN 0.219 8.429 8.210 -0.000 0.000 0.409 278 I N 0.163 120.507 120.570 -0.376 0.000 2.163 278 I HA -0.330 3.691 4.170 -0.249 0.000 0.243 278 I C 2.403 178.419 176.117 -0.170 0.000 1.085 278 I CA 1.583 62.709 61.300 -0.290 0.000 1.347 278 I CB -0.328 37.454 38.000 -0.362 0.000 1.044 278 I HN 0.199 8.409 8.210 -0.000 0.000 0.408 279 L N -0.112 121.050 121.223 -0.102 0.000 2.083 279 L HA -0.218 3.972 4.340 -0.249 0.000 0.209 279 L C 2.521 179.334 176.870 -0.095 0.000 1.083 279 L CA 1.229 56.039 54.840 -0.050 0.000 0.752 279 L CB -0.524 41.553 42.059 0.030 0.000 0.899 279 L HN 0.274 8.504 8.230 -0.000 0.000 0.433 280 L N -0.953 120.211 121.223 -0.098 0.000 2.017 280 L HA -0.246 3.944 4.340 -0.249 0.000 0.208 280 L C 2.701 179.457 176.870 -0.190 0.000 1.073 280 L CA 1.438 56.214 54.840 -0.107 0.000 0.745 280 L CB -0.362 41.645 42.059 -0.087 0.000 0.894 280 L HN 0.281 8.511 8.230 -0.000 0.000 0.432 281 M N -1.187 118.237 119.600 -0.292 0.000 2.108 281 M HA -0.200 4.131 4.480 -0.249 0.000 0.261 281 M C 2.452 178.668 176.300 -0.140 0.000 1.066 281 M CA 1.501 56.584 55.300 -0.362 0.000 1.107 281 M CB -0.403 31.945 32.600 -0.420 0.000 1.356 281 M HN 0.154 8.444 8.290 -0.000 0.000 0.406 282 R N 0.198 120.591 120.500 -0.179 0.000 2.091 282 R HA -0.098 4.092 4.340 -0.249 0.000 0.238 282 R C 2.216 178.432 176.300 -0.141 0.000 1.136 282 R CA 1.794 57.761 56.100 -0.221 0.000 0.959 282 R CB -0.918 29.134 30.300 -0.412 0.000 0.856 282 R HN 0.419 8.689 8.270 -0.000 0.000 0.437 283 A N 0.582 123.329 122.820 -0.120 0.000 2.015 283 A HA -0.045 4.125 4.320 -0.249 0.000 0.219 283 A C 2.262 179.819 177.584 -0.044 0.000 1.163 283 A CA 0.887 52.873 52.037 -0.085 0.000 0.646 283 A CB -0.223 18.726 19.000 -0.085 0.000 0.806 283 A HN 0.157 8.307 8.150 -0.000 0.000 0.448 284 L N -1.694 119.517 121.223 -0.020 0.000 2.121 284 L HA 0.137 4.327 4.340 -0.249 0.000 0.200 284 L C 0.237 177.171 176.870 0.107 0.000 1.077 284 L CA 0.870 55.742 54.840 0.054 0.000 0.766 284 L CB 0.269 42.378 42.059 0.084 0.000 0.931 284 L HN 0.291 8.521 8.230 -0.000 0.000 0.452 285 D N -2.058 118.449 120.400 0.178 0.000 2.491 285 D HA 0.102 4.592 4.640 -0.249 0.000 0.232 285 D C -2.165 174.226 176.300 0.150 0.000 1.334 285 D CA -1.019 53.065 54.000 0.140 0.000 0.909 285 D CB 1.133 41.989 40.800 0.093 0.000 1.513 285 D HN -0.217 8.153 8.370 -0.000 0.000 0.514 286 P HA -0.121 4.299 4.420 -0.000 0.000 0.216 286 P C 1.779 179.114 177.300 0.059 0.000 1.157 286 P CA 1.002 64.120 63.100 0.030 0.000 0.880 286 P CB 0.504 32.187 31.700 -0.027 0.000 0.791 287 L N -2.066 119.181 121.223 0.039 0.000 2.127 287 L HA -0.057 4.133 4.340 -0.249 0.000 0.203 287 L C 2.412 179.280 176.870 -0.003 0.000 1.080 287 L CA 0.560 55.414 54.840 0.023 0.000 0.768 287 L CB -0.952 41.123 42.059 0.026 0.000 0.924 287 L HN -0.056 8.174 8.230 -0.000 0.000 0.444 288 L N -0.861 120.330 121.223 -0.054 0.000 2.127 288 L HA -0.215 3.976 4.340 -0.249 0.000 0.211 288 L C 1.583 178.295 176.870 -0.264 0.000 1.089 288 L CA 1.892 56.616 54.840 -0.193 0.000 0.757 288 L CB -0.423 41.443 42.059 -0.322 0.000 0.899 288 L HN 0.163 8.393 8.230 -0.000 0.000 0.434 289 Y N -0.926 119.384 120.300 0.016 0.000 2.524 289 Y HA 0.160 4.570 4.550 -0.234 0.000 0.266 289 Y C 2.074 178.000 175.900 0.043 0.000 1.180 289 Y CA -0.048 58.066 58.100 0.022 0.000 1.244 289 Y CB -0.287 38.172 38.460 -0.001 0.000 1.125 289 Y HN 0.318 8.598 8.280 -0.000 0.000 0.524 290 E N 0.994 121.277 120.200 0.139 0.000 2.058 290 E HA -0.265 3.935 4.350 -0.249 0.000 0.194 290 E C 2.360 179.043 176.600 0.139 0.000 0.997 290 E CA 1.315 57.791 56.400 0.127 0.000 0.801 290 E CB 0.132 29.876 29.700 0.074 0.000 0.746 290 E HN 0.262 8.622 8.360 -0.000 0.000 0.450 291 K N 0.679 121.147 120.400 0.113 0.000 2.020 291 K HA -0.251 3.920 4.320 -0.249 0.000 0.212 291 K C 1.839 178.530 176.600 0.151 0.000 1.050 291 K CA 2.085 58.437 56.287 0.109 0.000 0.929 291 K CB -0.080 32.468 32.500 0.080 0.000 0.714 291 K HN 0.062 8.312 8.250 -0.000 0.000 0.443 292 E N -0.164 120.156 120.200 0.200 0.000 2.106 292 E HA -0.079 4.122 4.350 -0.249 0.000 0.192 292 E C 2.007 178.789 176.600 0.304 0.000 0.984 292 E CA 1.646 58.203 56.400 0.263 0.000 0.806 292 E CB -0.293 29.595 29.700 0.312 0.000 0.750 292 E HN 0.344 8.704 8.360 -0.000 0.000 0.458 293 T N 1.176 115.874 114.554 0.240 0.000 2.635 293 T HA -0.168 4.033 4.350 -0.249 0.000 0.267 293 T C 1.832 176.732 174.700 0.333 0.000 1.040 293 T CA 1.135 63.372 62.100 0.228 0.000 1.156 293 T CB -0.341 68.670 68.868 0.239 0.000 0.863 293 T HN 0.082 8.322 8.240 -0.000 0.000 0.430 294 L N 0.618 122.023 121.223 0.303 0.000 2.046 294 L HA -0.174 4.016 4.340 -0.249 0.000 0.208 294 L C 2.921 179.915 176.870 0.207 0.000 1.077 294 L CA 1.456 56.462 54.840 0.277 0.000 0.747 294 L CB -0.626 41.528 42.059 0.158 0.000 0.896 294 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 295 Q N -1.067 118.818 119.800 0.141 0.000 2.050 295 Q HA -0.221 3.970 4.340 -0.249 0.000 0.202 295 Q C 2.170 178.142 176.000 -0.046 0.000 0.980 295 Q CA 1.796 57.615 55.803 0.026 0.000 0.840 295 Q CB -0.231 28.491 28.738 -0.027 0.000 0.898 295 Q HN 0.454 8.724 8.270 -0.000 0.000 0.424 296 Y N -0.778 119.525 120.300 0.006 0.000 2.224 296 Y HA -0.218 4.179 4.550 -0.255 0.000 0.289 296 Y C 1.872 177.716 175.900 -0.094 0.000 1.146 296 Y CA 1.060 59.113 58.100 -0.077 0.000 1.182 296 Y CB -0.112 38.256 38.460 -0.154 0.000 0.983 296 Y HN 0.081 8.361 8.280 -0.000 0.000 0.524 297 F N -0.475 119.538 119.950 0.105 0.000 2.126 297 F HA -0.279 4.140 4.527 -0.180 0.000 0.299 297 F C 2.518 178.307 175.800 -0.018 0.000 1.096 297 F CA 1.730 59.745 58.000 0.026 0.000 1.255 297 F CB -0.842 38.161 39.000 0.005 0.000 0.997 297 F HN -0.121 8.179 8.300 -0.000 0.000 0.479 298 S N -0.790 114.999 115.700 0.147 0.000 2.348 298 S HA -0.177 4.143 4.470 -0.249 0.000 0.221 298 S C 2.108 176.707 174.600 -0.001 0.000 1.033 298 S CA 1.822 60.051 58.200 0.049 0.000 1.010 298 S CB -0.719 62.489 63.200 0.013 0.000 0.891 298 S HN 0.382 8.692 8.310 -0.000 0.000 0.442 299 T N 2.991 117.516 114.554 -0.049 0.000 2.684 299 T HA -0.045 4.156 4.350 -0.249 0.000 0.267 299 T C 1.740 176.407 174.700 -0.055 0.000 1.036 299 T CA 0.962 63.011 62.100 -0.085 0.000 1.148 299 T CB -0.477 68.283 68.868 -0.180 0.000 0.863 299 T HN 0.195 8.435 8.240 -0.000 0.000 0.436 300 L N 0.536 121.739 121.223 -0.033 0.000 2.046 300 L HA -0.125 4.066 4.340 -0.249 0.000 0.208 300 L C 2.583 179.432 176.870 -0.034 0.000 1.077 300 L CA 1.668 56.480 54.840 -0.048 0.000 0.747 300 L CB -0.311 41.713 42.059 -0.059 0.000 0.896 300 L HN 0.270 8.500 8.230 -0.000 0.000 0.432 301 K N -0.380 120.027 120.400 0.010 0.000 2.097 301 K HA -0.169 4.001 4.320 -0.249 0.000 0.206 301 K C 2.017 178.605 176.600 -0.020 0.000 1.049 301 K CA 1.353 57.643 56.287 0.005 0.000 0.933 301 K CB -0.178 32.334 32.500 0.021 0.000 0.717 301 K HN 0.381 8.631 8.250 -0.000 0.000 0.442 302 A N 0.889 123.694 122.820 -0.025 0.000 1.969 302 A HA -0.081 4.090 4.320 -0.249 0.000 0.218 302 A C 2.293 179.852 177.584 -0.043 0.000 1.169 302 A CA 1.124 53.141 52.037 -0.032 0.000 0.635 302 A CB -0.328 18.652 19.000 -0.033 0.000 0.810 302 A HN 0.068 8.218 8.150 -0.000 0.000 0.445 303 V N -0.162 119.718 119.914 -0.057 0.000 2.591 303 V HA -0.058 3.912 4.120 -0.249 0.000 0.249 303 V C 0.765 176.804 176.094 -0.091 0.000 1.053 303 V CA 1.890 64.146 62.300 -0.074 0.000 1.068 303 V CB -0.309 31.459 31.823 -0.091 0.000 0.689 303 V HN 0.564 8.754 8.190 -0.000 0.000 0.462 304 D N -0.867 119.475 120.400 -0.096 0.000 2.607 304 D HA 0.231 4.722 4.640 -0.249 0.000 0.318 304 D C -1.662 174.599 176.300 -0.065 0.000 1.212 304 D CA -1.808 52.126 54.000 -0.111 0.000 0.861 304 D CB 1.113 41.806 40.800 -0.178 0.000 1.064 304 D HN 0.164 8.534 8.370 -0.000 0.000 0.500 305 P HA -0.136 4.284 4.420 -0.000 0.000 0.220 305 P C 1.711 179.000 177.300 -0.019 0.000 1.148 305 P CA 0.772 63.856 63.100 -0.026 0.000 0.803 305 P CB 0.172 31.858 31.700 -0.023 0.000 0.782 306 M N -1.379 118.206 119.600 -0.025 0.000 2.279 306 M HA -0.121 4.210 4.480 -0.249 0.000 0.264 306 M C 1.604 177.902 176.300 -0.002 0.000 1.062 306 M CA 1.481 56.772 55.300 -0.015 0.000 1.099 306 M CB -0.349 32.239 32.600 -0.020 0.000 1.394 306 M HN -0.207 8.083 8.290 -0.000 0.000 0.426 307 R N -0.144 120.355 120.500 -0.002 0.000 2.388 307 R HA 0.253 4.444 4.340 -0.249 0.000 0.247 307 R C 1.702 178.052 176.300 0.083 0.000 0.931 307 R CA 0.250 56.383 56.100 0.054 0.000 1.082 307 R CB -0.615 29.711 30.300 0.044 0.000 1.135 307 R HN 0.270 8.540 8.270 -0.000 0.000 0.525 308 A N 0.398 123.237 122.820 0.032 0.000 1.908 308 A HA -0.175 3.996 4.320 -0.249 0.000 0.218 308 A C 2.213 179.796 177.584 -0.000 0.000 1.181 308 A CA 1.891 53.935 52.037 0.012 0.000 0.627 308 A CB -0.632 18.365 19.000 -0.005 0.000 0.818 308 A HN 0.362 8.512 8.150 -0.000 0.000 0.445 309 A N -1.457 121.374 122.820 0.017 0.000 1.898 309 A HA -0.071 4.099 4.320 -0.249 0.000 0.216 309 A C 2.145 179.731 177.584 0.005 0.000 1.181 309 A CA 1.664 53.702 52.037 0.002 0.000 0.620 309 A CB -0.825 18.185 19.000 0.018 0.000 0.819 309 A HN 0.800 8.950 8.150 -0.000 0.000 0.442 310 Y N 0.709 120.983 120.300 -0.042 0.000 2.145 310 Y HA -0.172 4.199 4.550 -0.297 0.000 0.286 310 Y C 1.862 177.729 175.900 -0.055 0.000 1.145 310 Y CA 1.889 59.964 58.100 -0.042 0.000 1.148 310 Y CB -0.441 38.004 38.460 -0.025 0.000 0.981 310 Y HN 0.201 8.481 8.280 -0.000 0.000 0.507 311 L N -0.130 120.948 121.223 -0.243 0.000 2.093 311 L HA -0.191 3.999 4.340 -0.249 0.000 0.208 311 L C 2.115 178.763 176.870 -0.370 0.000 1.085 311 L CA 1.423 56.110 54.840 -0.255 0.000 0.755 311 L CB -0.621 41.472 42.059 0.057 0.000 0.904 311 L HN 0.160 8.390 8.230 -0.000 0.000 0.435 312 D N 0.045 120.274 120.400 -0.285 0.000 2.117 312 D HA -0.179 4.312 4.640 -0.249 0.000 0.197 312 D C 1.808 177.887 176.300 -0.367 0.000 0.987 312 D CA 1.170 54.977 54.000 -0.323 0.000 0.829 312 D CB -0.177 40.509 40.800 -0.190 0.000 0.961 312 D HN 0.241 8.611 8.370 -0.000 0.000 0.460 313 D N -0.110 120.099 120.400 -0.319 0.000 2.144 313 D HA -0.104 4.386 4.640 -0.249 0.000 0.199 313 D C 2.093 178.143 176.300 -0.417 0.000 0.984 313 D CA 0.245 54.070 54.000 -0.291 0.000 0.834 313 D CB -0.202 40.489 40.800 -0.183 0.000 0.955 313 D HN 0.125 8.495 8.370 -0.000 0.000 0.465 314 L N 0.904 121.755 121.223 -0.619 0.000 2.056 314 L HA -0.066 4.125 4.340 -0.249 0.000 0.207 314 L C 2.225 178.536 176.870 -0.931 0.000 1.078 314 L CA 1.513 55.885 54.840 -0.781 0.000 0.749 314 L CB -0.348 41.217 42.059 -0.824 0.000 0.901 314 L HN -0.138 8.092 8.230 -0.000 0.000 0.433 315 R N -0.920 118.994 120.500 -0.977 0.000 2.081 315 R HA -0.127 4.064 4.340 -0.249 0.000 0.235 315 R C 2.126 178.136 176.300 -0.484 0.000 1.131 315 R CA 1.731 57.195 56.100 -1.060 0.000 0.960 315 R CB -0.357 28.992 30.300 -1.585 0.000 0.856 315 R HN 0.429 8.698 8.270 -0.000 0.000 0.436 316 S N 0.992 116.455 115.700 -0.394 0.000 2.383 316 S HA -0.147 4.174 4.470 -0.249 0.000 0.229 316 S C 1.761 176.279 174.600 -0.137 0.000 1.030 316 S CA 1.472 59.543 58.200 -0.216 0.000 1.002 316 S CB -0.171 62.921 63.200 -0.181 0.000 0.829 316 S HN 0.388 8.698 8.310 -0.000 0.000 0.467 317 K N 0.253 120.547 120.400 -0.177 0.000 2.026 317 K HA -0.093 4.078 4.320 -0.249 0.000 0.208 317 K C 1.662 178.343 176.600 0.135 0.000 1.048 317 K CA 1.333 57.589 56.287 -0.051 0.000 0.929 317 K CB -0.232 32.207 32.500 -0.101 0.000 0.713 317 K HN 0.227 8.477 8.250 -0.000 0.000 0.439 318 F N 1.554 121.488 119.950 -0.027 0.000 2.171 318 F HA -0.119 4.239 4.527 -0.281 0.000 0.300 318 F C 2.107 177.906 175.800 -0.001 0.000 1.090 318 F CA 0.804 58.814 58.000 0.015 0.000 1.293 318 F CB -0.875 38.175 39.000 0.083 0.000 1.013 318 F HN 0.021 8.321 8.300 -0.000 0.000 0.486 319 L N -1.147 120.163 121.223 0.146 0.000 2.093 319 L HA -0.212 3.978 4.340 -0.249 0.000 0.208 319 L C 2.446 179.339 176.870 0.039 0.000 1.085 319 L CA 0.474 55.351 54.840 0.062 0.000 0.755 319 L CB -0.624 41.433 42.059 -0.004 0.000 0.904 319 L HN 0.105 8.335 8.230 -0.000 0.000 0.435 320 L N 0.087 121.331 121.223 0.036 0.000 1.994 320 L HA -0.218 3.972 4.340 -0.249 0.000 0.208 320 L C 2.469 179.362 176.870 0.039 0.000 1.071 320 L CA 1.777 56.632 54.840 0.025 0.000 0.745 320 L CB -0.521 41.550 42.059 0.019 0.000 0.892 320 L HN 0.206 8.436 8.230 -0.000 0.000 0.431 321 E N -0.779 119.463 120.200 0.071 0.000 2.114 321 E HA -0.276 3.924 4.350 -0.249 0.000 0.199 321 E C 1.876 178.497 176.600 0.034 0.000 1.008 321 E CA 1.503 57.939 56.400 0.060 0.000 0.810 321 E CB -0.197 29.551 29.700 0.080 0.000 0.739 321 E HN 0.500 8.860 8.360 -0.000 0.000 0.456 322 N N 0.060 118.783 118.700 0.038 0.000 2.142 322 N HA -0.078 4.513 4.740 -0.249 0.000 0.186 322 N C 1.844 177.343 175.510 -0.018 0.000 1.023 322 N CA 1.026 54.083 53.050 0.012 0.000 0.852 322 N CB -0.301 38.201 38.487 0.025 0.000 0.998 322 N HN -0.031 8.349 8.380 -0.000 0.000 0.424 323 S N 0.132 115.823 115.700 -0.015 0.000 2.370 323 S HA -0.072 4.248 4.470 -0.249 0.000 0.226 323 S C 2.190 176.771 174.600 -0.030 0.000 1.033 323 S CA 0.828 59.008 58.200 -0.033 0.000 1.011 323 S CB -0.353 62.834 63.200 -0.021 0.000 0.852 323 S HN 0.091 8.401 8.310 -0.000 0.000 0.457 324 V N 2.090 121.999 119.914 -0.008 0.000 2.343 324 V HA -0.158 3.812 4.120 -0.249 0.000 0.247 324 V C 2.173 178.272 176.094 0.008 0.000 1.051 324 V CA 1.488 63.790 62.300 0.003 0.000 1.036 324 V CB -0.733 31.099 31.823 0.015 0.000 0.654 324 V HN 0.408 8.598 8.190 -0.000 0.000 0.451 325 L N -0.496 120.732 121.223 0.008 0.000 2.017 325 L HA -0.201 3.990 4.340 -0.249 0.000 0.208 325 L C 2.608 179.483 176.870 0.008 0.000 1.073 325 L CA 1.752 56.612 54.840 0.034 0.000 0.745 325 L CB -0.640 41.441 42.059 0.037 0.000 0.894 325 L HN 0.272 8.502 8.230 -0.000 0.000 0.432 326 K N -0.615 119.700 120.400 -0.142 0.000 2.147 326 K HA -0.135 4.035 4.320 -0.249 0.000 0.205 326 K C 1.954 178.416 176.600 -0.230 0.000 1.049 326 K CA 1.080 57.120 56.287 -0.411 0.000 0.936 326 K CB -0.114 32.173 32.500 -0.356 0.000 0.722 326 K HN 0.231 8.481 8.250 -0.000 0.000 0.446 327 M N 0.676 120.232 119.600 -0.073 0.000 2.619 327 M HA -0.047 4.284 4.480 -0.249 0.000 0.251 327 M C 1.049 177.384 176.300 0.059 0.000 1.106 327 M CA 1.210 56.506 55.300 -0.007 0.000 1.086 327 M CB -0.325 32.271 32.600 -0.007 0.000 1.465 327 M HN 0.140 8.430 8.290 -0.000 0.000 0.506 328 E N -1.030 119.234 120.200 0.107 0.000 2.502 328 E HA 0.013 4.213 4.350 -0.249 0.000 0.194 328 E C 0.131 176.859 176.600 0.214 0.000 1.062 328 E CA -0.162 56.319 56.400 0.135 0.000 0.867 328 E CB 0.256 30.026 29.700 0.116 0.000 0.888 328 E HN 0.428 8.788 8.360 -0.000 0.000 0.510 329 Y N 0.000 120.298 120.300 -0.004 0.000 2.660 329 Y HA 0.000 4.400 4.550 -0.250 0.000 0.201 329 Y CA 0.000 58.097 58.100 -0.005 0.000 1.940 329 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 329 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758