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 1g5j_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLE 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 4.496 4.480 0.026 0.000 0.227 1 M C 0.000 176.323 176.300 0.039 0.000 1.140 1 M CA 0.000 55.318 55.300 0.029 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 S N 2.482 118.206 115.700 0.040 0.000 2.387 2 S HA -0.163 4.342 4.470 0.057 0.000 0.221 2 S C 1.586 176.227 174.600 0.068 0.000 1.041 2 S CA 1.732 59.964 58.200 0.053 0.000 0.959 2 S CB 0.811 64.037 63.200 0.044 0.000 0.843 2 S HN 0.250 8.580 8.310 0.034 0.000 0.488 3 M N 3.325 122.960 119.600 0.057 0.000 2.195 3 M HA -0.220 4.307 4.480 0.078 0.000 0.260 3 M C 1.818 178.163 176.300 0.075 0.000 1.066 3 M CA 3.023 58.363 55.300 0.065 0.000 1.089 3 M CB -0.413 32.214 32.600 0.045 0.000 1.377 3 M HN -0.010 8.307 8.290 0.044 0.000 0.411 4 A N -0.348 122.510 122.820 0.063 0.000 2.042 4 A HA -0.301 4.051 4.320 0.053 0.000 0.222 4 A C 2.005 179.635 177.584 0.076 0.000 1.167 4 A CA 2.879 54.952 52.037 0.060 0.000 0.649 4 A CB -0.903 18.126 19.000 0.048 0.000 0.809 4 A HN 0.300 8.452 8.150 0.055 0.031 0.457 5 M N -1.117 118.546 119.600 0.105 0.000 2.192 5 M HA -0.407 4.142 4.480 0.116 0.000 0.259 5 M C 1.749 178.125 176.300 0.126 0.000 1.071 5 M CA 2.078 57.464 55.300 0.143 0.000 1.082 5 M CB -2.163 30.578 32.600 0.235 0.000 1.373 5 M HN 0.219 8.418 8.290 0.104 0.153 0.408 6 S N 1.163 116.940 115.700 0.128 0.000 2.402 6 S HA -0.519 4.042 4.470 0.152 0.000 0.233 6 S C 1.733 176.366 174.600 0.055 0.000 1.030 6 S CA 3.369 61.637 58.200 0.112 0.000 1.003 6 S CB -0.474 62.790 63.200 0.107 0.000 0.813 6 S HN 0.282 8.525 8.310 0.126 0.143 0.477 7 Q N 1.390 121.216 119.800 0.044 0.000 2.173 7 Q HA -0.389 3.969 4.340 0.030 0.000 0.208 7 Q C 2.486 178.483 176.000 -0.005 0.000 0.989 7 Q CA 3.475 59.293 55.803 0.024 0.000 0.872 7 Q CB -0.201 28.552 28.738 0.024 0.000 0.909 7 Q HN 0.503 8.658 8.270 0.055 0.148 0.420 8 S N -1.718 113.957 115.700 -0.043 0.000 2.406 8 S HA -0.195 4.226 4.470 -0.083 0.000 0.224 8 S C 1.323 175.810 174.600 -0.188 0.000 1.030 8 S CA 3.564 61.690 58.200 -0.122 0.000 0.958 8 S CB 0.092 63.185 63.200 -0.178 0.000 0.811 8 S HN -0.012 8.158 8.310 -0.023 0.126 0.489 9 N N 2.408 120.994 118.700 -0.190 0.000 2.270 9 N HA -0.174 4.410 4.740 -0.260 0.000 0.181 9 N C 1.874 177.410 175.510 0.043 0.000 1.016 9 N CA 2.364 55.343 53.050 -0.117 0.000 0.870 9 N CB -0.446 38.071 38.487 0.050 0.000 0.979 9 N HN -0.802 7.416 8.380 -0.131 0.083 0.431 10 R N 1.511 122.035 120.500 0.041 0.000 2.082 10 R HA -0.327 4.053 4.340 0.066 0.000 0.234 10 R C 1.803 178.149 176.300 0.078 0.000 1.136 10 R CA 3.169 59.306 56.100 0.061 0.000 0.935 10 R CB -0.401 29.932 30.300 0.055 0.000 0.842 10 R HN 0.805 8.975 8.270 0.025 0.115 0.430 11 E N -0.821 119.414 120.200 0.058 0.000 2.204 11 E HA -0.228 4.186 4.350 0.106 0.000 0.194 11 E C 2.604 179.253 176.600 0.081 0.000 0.989 11 E CA 2.870 59.313 56.400 0.072 0.000 0.824 11 E CB -0.744 28.980 29.700 0.040 0.000 0.756 11 E HN -0.605 7.774 8.360 0.031 0.000 0.477 12 L N 0.589 121.854 121.223 0.071 0.000 1.994 12 L HA -0.276 4.087 4.340 0.039 0.000 0.208 12 L C 1.304 178.397 176.870 0.371 0.000 1.071 12 L CA 3.162 58.079 54.840 0.128 0.000 0.745 12 L CB -0.762 41.315 42.059 0.029 0.000 0.892 12 L HN -0.544 7.560 8.230 0.033 0.145 0.431 13 V N -3.841 116.293 119.914 0.366 0.000 2.427 13 V HA -0.463 3.792 4.120 0.225 0.000 0.248 13 V C 1.781 177.932 176.094 0.095 0.000 1.051 13 V CA 4.343 66.727 62.300 0.140 0.000 1.048 13 V CB -0.238 31.481 31.823 -0.174 0.000 0.666 13 V HN 0.202 8.446 8.190 0.268 0.107 0.456 14 V N -2.884 117.114 119.914 0.140 0.000 2.453 14 V HA -0.457 3.869 4.120 0.343 0.000 0.247 14 V C 1.190 177.278 176.094 -0.009 0.000 1.048 14 V CA 4.155 66.594 62.300 0.231 0.000 1.049 14 V CB -0.117 31.925 31.823 0.364 0.000 0.672 14 V HN -0.085 8.192 8.190 0.145 0.000 0.457 15 D N 0.418 120.840 120.400 0.036 0.000 2.085 15 D HA -0.282 4.317 4.640 -0.067 0.000 0.199 15 D C 1.522 177.771 176.300 -0.085 0.000 0.981 15 D CA 3.284 57.263 54.000 -0.036 0.000 0.834 15 D CB 0.207 41.016 40.800 0.015 0.000 0.992 15 D HN 0.082 8.394 8.370 0.103 0.120 0.457 16 F N 0.816 120.712 119.950 -0.091 0.000 2.091 16 F HA -0.456 4.034 4.527 -0.061 0.000 0.299 16 F C 1.604 177.332 175.800 -0.120 0.000 1.103 16 F CA 3.624 61.598 58.000 -0.043 0.000 1.228 16 F CB 0.099 39.167 39.000 0.113 0.000 0.984 16 F HN -0.003 8.337 8.300 0.246 0.107 0.477 17 L N -3.012 118.194 121.223 -0.029 0.000 1.990 17 L HA -0.611 3.657 4.340 -0.120 0.000 0.213 17 L C 2.154 178.566 176.870 -0.762 0.000 1.072 17 L CA 3.338 57.914 54.840 -0.439 0.000 0.755 17 L CB -0.492 41.071 42.059 -0.827 0.000 0.889 17 L HN -0.228 7.998 8.230 -0.006 0.000 0.432 18 S N -1.028 113.910 115.700 -1.269 0.000 2.370 18 S HA -0.446 3.572 4.470 -0.754 0.000 0.226 18 S C 1.843 176.266 174.600 -0.295 0.000 1.033 18 S CA 3.226 60.876 58.200 -0.917 0.000 1.011 18 S CB 0.024 62.675 63.200 -0.914 0.000 0.852 18 S HN -0.545 6.939 8.310 -1.376 0.000 0.457 19 Y N 1.391 121.482 120.300 -0.348 0.000 2.241 19 Y HA -0.427 4.002 4.550 -0.202 0.000 0.286 19 Y C 1.165 176.935 175.900 -0.218 0.000 1.166 19 Y CA 3.084 61.020 58.100 -0.274 0.000 1.203 19 Y CB -0.164 38.048 38.460 -0.413 0.000 0.977 19 Y HN 0.139 8.242 8.280 -0.162 0.080 0.529 20 K N -1.300 118.867 120.400 -0.387 0.000 2.031 20 K HA -0.278 3.620 4.320 -0.705 0.000 0.205 20 K C 2.021 178.443 176.600 -0.296 0.000 1.049 20 K CA 1.979 58.018 56.287 -0.414 0.000 0.939 20 K CB -0.593 31.815 32.500 -0.153 0.000 0.717 20 K HN -0.619 7.396 8.250 -0.155 0.142 0.438 21 L N -1.755 119.372 121.223 -0.161 0.000 2.127 21 L HA -0.303 3.991 4.340 -0.077 0.000 0.211 21 L C 2.335 179.230 176.870 0.042 0.000 1.089 21 L CA 2.462 57.308 54.840 0.010 0.000 0.757 21 L CB -1.744 40.482 42.059 0.278 0.000 0.899 21 L HN -0.431 7.621 8.230 -0.175 0.073 0.434 22 S N -0.622 115.042 115.700 -0.061 0.000 2.365 22 S HA -0.406 4.081 4.470 0.029 0.000 0.225 22 S C 2.639 177.194 174.600 -0.076 0.000 1.039 22 S CA 4.047 62.213 58.200 -0.056 0.000 1.033 22 S CB -0.155 62.971 63.200 -0.124 0.000 0.887 22 S HN -0.024 8.184 8.310 -0.133 0.022 0.447 23 Q N 0.876 120.567 119.800 -0.183 0.000 2.096 23 Q HA -0.259 4.009 4.340 -0.122 0.000 0.204 23 Q C 1.556 177.530 176.000 -0.043 0.000 0.982 23 Q CA 2.695 58.411 55.803 -0.144 0.000 0.850 23 Q CB 0.066 28.670 28.738 -0.224 0.000 0.901 23 Q HN -0.556 7.531 8.270 -0.306 0.000 0.422 24 K N -4.956 115.440 120.400 -0.007 0.000 2.444 24 K HA 0.039 4.411 4.320 0.088 0.000 0.193 24 K C -0.240 176.542 176.600 0.303 0.000 1.024 24 K CA -0.347 56.012 56.287 0.120 0.000 1.077 24 K CB 0.505 33.007 32.500 0.003 0.000 0.833 24 K HN -0.706 7.421 8.250 -0.060 0.088 0.517 25 G N -0.492 108.428 108.800 0.201 0.000 2.314 25 G HA2 -0.377 3.652 3.960 0.115 0.000 0.292 25 G HA3 -0.377 3.650 3.960 0.112 0.000 0.292 25 G C -0.479 174.559 174.900 0.230 0.000 1.059 25 G CA 0.785 45.986 45.100 0.168 0.000 0.982 25 G HN -0.373 7.762 8.290 0.112 0.223 0.505 26 Y N -0.557 119.806 120.300 0.106 0.000 2.341 26 Y HA 0.068 4.725 4.550 0.177 0.000 0.337 26 Y C -0.240 175.818 175.900 0.264 0.000 1.014 26 Y CA -1.234 56.988 58.100 0.203 0.000 1.111 26 Y CB 1.670 40.281 38.460 0.252 0.000 1.194 26 Y HN 0.237 8.627 8.280 0.411 0.137 0.462 27 S N 6.122 121.976 115.700 0.258 0.000 3.024 27 S HA -0.026 4.541 4.470 0.161 0.000 0.316 27 S C 0.485 175.219 174.600 0.225 0.000 1.197 27 S CA 0.562 58.842 58.200 0.133 0.000 1.097 27 S CB -0.708 62.435 63.200 -0.094 0.000 1.471 27 S HN 0.768 9.147 8.310 0.116 0.000 0.543 28 W N 7.193 128.668 121.300 0.292 0.000 2.424 28 W HA -0.340 4.871 4.660 0.918 0.000 0.264 28 W C -0.357 176.290 176.519 0.213 0.000 1.229 28 W CA 3.263 60.868 57.345 0.433 0.000 1.208 28 W CB 0.475 30.092 29.460 0.262 0.000 1.127 28 W HN -0.240 8.271 8.180 0.552 0.000 0.588 29 S N -3.806 111.891 115.700 -0.005 0.000 2.671 29 S HA -0.157 4.201 4.470 -0.186 0.000 0.220 29 S C 0.499 174.907 174.600 -0.320 0.000 0.951 29 S CA 0.508 58.617 58.200 -0.151 0.000 0.932 29 S CB -0.923 62.257 63.200 -0.033 0.000 0.777 29 S HN -0.302 8.020 8.310 0.103 0.050 0.508 30 Q N -0.305 119.121 119.800 -0.623 0.000 2.172 30 Q HA 0.128 4.201 4.340 -0.444 0.000 0.217 30 Q C -0.737 174.708 176.000 -0.924 0.000 0.832 30 Q CA 0.114 55.471 55.803 -0.743 0.000 1.010 30 Q CB 0.284 28.557 28.738 -0.775 0.000 1.133 30 Q HN -0.247 7.379 8.270 -0.767 0.185 0.489 31 F N -2.968 116.797 119.950 -0.308 0.000 2.577 31 F HA 0.268 4.660 4.527 -0.225 0.000 0.282 31 F C 0.687 176.262 175.800 -0.375 0.000 0.957 31 F CA 0.727 58.520 58.000 -0.345 0.000 1.168 31 F CB 1.205 39.926 39.000 -0.464 0.000 0.958 31 F HN -0.673 7.207 8.300 -0.586 0.069 0.702 32 S N -0.937 114.569 115.700 -0.323 0.000 3.037 32 S HA 0.103 4.467 4.470 -0.177 0.000 0.173 32 S C 0.093 174.585 174.600 -0.180 0.000 0.681 32 S CA 0.411 58.456 58.200 -0.258 0.000 0.807 32 S CB 1.850 64.862 63.200 -0.313 0.000 0.789 32 S HN -0.364 7.661 8.310 -0.475 0.000 0.637 33 D N -1.031 119.270 120.400 -0.165 0.000 4.613 33 D HA 0.078 4.658 4.640 -0.100 0.000 0.154 33 D C -1.338 174.955 176.300 -0.011 0.000 1.041 33 D CA 0.082 54.033 54.000 -0.082 0.000 0.829 33 D CB 0.254 41.023 40.800 -0.052 0.000 1.476 33 D HN 0.173 8.414 8.370 -0.215 0.000 0.757 34 V N 3.249 123.175 119.914 0.020 0.000 2.357 34 V HA -0.247 3.979 4.120 0.177 0.000 0.239 34 V C 0.021 176.176 176.094 0.101 0.000 1.168 34 V CA 0.538 62.932 62.300 0.157 0.000 1.262 34 V CB -0.128 31.930 31.823 0.391 0.000 1.314 34 V HN 0.153 8.297 8.190 -0.076 0.000 0.486 35 E N 7.330 127.569 120.200 0.066 0.000 2.019 35 E HA -0.302 4.064 4.350 0.027 0.000 0.208 35 E C -0.316 176.315 176.600 0.053 0.000 1.030 35 E CA 2.537 58.963 56.400 0.043 0.000 0.856 35 E CB 0.413 30.133 29.700 0.032 0.000 0.781 35 E HN 0.237 8.617 8.360 0.063 0.018 0.471 36 E N -4.824 115.411 120.200 0.057 0.000 2.368 36 E HA 0.045 4.434 4.350 0.065 0.000 0.267 36 E C -1.623 175.005 176.600 0.046 0.000 1.216 36 E CA -0.909 55.523 56.400 0.052 0.000 0.891 36 E CB 0.868 30.589 29.700 0.035 0.000 1.524 36 E HN -0.059 8.336 8.360 0.058 0.000 0.445 37 N N 0.892 119.613 118.700 0.035 0.000 2.207 37 N HA -0.295 4.461 4.740 0.027 0.000 0.220 37 N C 0.486 176.009 175.510 0.021 0.000 1.303 37 N CA 1.359 54.424 53.050 0.025 0.000 0.875 37 N CB 0.235 38.731 38.487 0.016 0.000 1.094 37 N HN 0.113 8.513 8.380 0.034 0.000 0.435 38 R N -2.429 118.080 120.500 0.014 0.000 1.827 38 R HA -0.354 3.990 4.340 0.007 0.000 0.385 38 R C -1.067 175.243 176.300 0.016 0.000 1.215 38 R CA 1.013 57.120 56.100 0.011 0.000 0.985 38 R CB -1.342 28.963 30.300 0.010 0.000 2.989 38 R HN 0.430 8.706 8.270 0.011 0.000 0.489 39 T N 6.951 121.513 114.554 0.014 0.000 3.141 39 T HA 0.226 4.588 4.350 0.021 0.000 0.377 39 T C -1.335 173.372 174.700 0.012 0.000 1.258 39 T CA -0.182 61.929 62.100 0.018 0.000 1.263 39 T CB 0.086 68.969 68.868 0.026 0.000 1.066 39 T HN 0.478 8.724 8.240 0.009 0.000 0.546 40 E N 2.158 122.364 120.200 0.011 0.000 8.696 40 E HA -0.320 4.035 4.350 0.009 0.000 0.467 40 E C -1.691 174.912 176.600 0.005 0.000 1.149 40 E CA 0.407 56.812 56.400 0.009 0.000 1.997 40 E CB -0.224 29.482 29.700 0.011 0.000 1.008 40 E HN 0.229 8.596 8.360 0.012 0.000 0.278 41 A N 1.049 123.872 122.820 0.005 0.000 1.818 41 A HA 0.130 4.452 4.320 0.003 0.000 0.267 41 A C -2.718 174.869 177.584 0.005 0.000 0.972 41 A CA -0.422 51.617 52.037 0.003 0.000 0.890 41 A CB 0.792 19.792 19.000 0.000 0.000 0.973 41 A HN 0.158 8.312 8.150 0.007 0.000 0.332 42 P HA 0.194 4.618 4.420 0.006 0.000 0.275 42 P C -0.950 176.353 177.300 0.006 0.000 1.310 42 P CA 0.381 63.485 63.100 0.007 0.000 0.904 42 P CB 0.723 32.429 31.700 0.009 0.000 1.381 43 E N -1.048 119.155 120.200 0.005 0.000 2.476 43 E HA 0.138 4.491 4.350 0.005 0.000 0.193 43 E C 0.547 177.148 176.600 0.002 0.000 0.966 43 E CA 0.901 57.303 56.400 0.005 0.000 1.114 43 E CB 0.927 30.631 29.700 0.007 0.000 1.151 43 E HN -0.037 8.275 8.360 0.005 0.051 0.487 44 G N -0.286 108.514 108.800 -0.000 0.000 3.121 44 G HA2 0.016 3.974 3.960 -0.003 0.000 0.133 44 G HA3 0.016 3.973 3.960 -0.005 0.000 0.133 44 G C -1.181 173.715 174.900 -0.006 0.000 1.398 44 G CA 0.659 45.757 45.100 -0.003 0.000 1.037 44 G HN -0.027 8.263 8.290 0.000 0.000 0.644 45 T N -2.216 112.332 114.554 -0.009 0.000 4.645 45 T HA 0.119 4.462 4.350 -0.011 0.000 0.311 45 T C -0.097 174.593 174.700 -0.018 0.000 0.904 45 T CA -0.278 61.814 62.100 -0.013 0.000 0.907 45 T CB 0.824 69.683 68.868 -0.015 0.000 0.959 45 T HN -0.553 7.682 8.240 -0.009 0.000 0.417 46 E N 2.590 122.782 120.200 -0.013 0.000 2.026 46 E HA -0.429 3.911 4.350 -0.016 0.000 0.206 46 E C 1.490 178.075 176.600 -0.024 0.000 1.028 46 E CA 4.106 60.498 56.400 -0.013 0.000 0.845 46 E CB -0.133 29.569 29.700 0.003 0.000 0.772 46 E HN 0.296 8.652 8.360 -0.008 0.000 0.462 47 S N -1.627 114.053 115.700 -0.034 0.000 2.380 47 S HA -0.483 3.929 4.470 -0.097 0.000 0.229 47 S C 0.779 175.345 174.600 -0.056 0.000 1.043 47 S CA 2.867 61.028 58.200 -0.064 0.000 1.038 47 S CB -0.404 62.760 63.200 -0.060 0.000 0.872 47 S HN 0.302 8.598 8.310 -0.025 0.000 0.456 90 V N 1.523 121.423 119.914 -0.025 0.000 2.358 90 V HA -0.613 3.579 4.120 0.121 0.000 0.246 90 V C 1.229 177.353 176.094 0.050 0.000 1.047 90 V CA 4.551 66.888 62.300 0.061 0.000 1.035 90 V CB 0.091 31.917 31.823 0.005 0.000 0.658 90 V HN 0.310 8.369 8.190 -0.034 0.111 0.452 91 K N -0.495 119.876 120.400 -0.047 0.000 1.985 91 K HA -0.418 3.840 4.320 -0.104 0.000 0.210 91 K C 2.303 178.862 176.600 -0.069 0.000 1.047 91 K CA 3.930 60.174 56.287 -0.072 0.000 0.932 91 K CB -0.184 32.273 32.500 -0.072 0.000 0.716 91 K HN 0.022 8.147 8.250 -0.057 0.091 0.439 92 Q N -1.742 118.011 119.800 -0.077 0.000 2.112 92 Q HA -0.411 3.831 4.340 -0.162 0.000 0.206 92 Q C 2.211 178.178 176.000 -0.055 0.000 0.987 92 Q CA 3.067 58.810 55.803 -0.100 0.000 0.858 92 Q CB -0.652 28.036 28.738 -0.082 0.000 0.905 92 Q HN -0.507 7.723 8.270 -0.067 0.000 0.420 93 A N 0.519 123.334 122.820 -0.007 0.000 1.884 93 A HA -0.357 3.949 4.320 -0.024 0.000 0.219 93 A C 2.033 179.752 177.584 0.226 0.000 1.197 93 A CA 2.991 55.048 52.037 0.033 0.000 0.637 93 A CB -0.586 18.321 19.000 -0.156 0.000 0.827 93 A HN -0.165 7.967 8.150 -0.021 0.005 0.450 94 L N -2.795 118.617 121.223 0.315 0.000 2.131 94 L HA -0.364 4.231 4.340 0.426 0.000 0.210 94 L C 2.091 179.126 176.870 0.276 0.000 1.092 94 L CA 3.814 58.834 54.840 0.300 0.000 0.759 94 L CB -0.365 41.691 42.059 -0.005 0.000 0.903 94 L HN -0.544 7.844 8.230 0.264 0.000 0.435 95 R N -0.452 120.029 120.500 -0.032 0.000 2.073 95 R HA -0.489 3.364 4.340 -0.813 0.000 0.234 95 R C 1.835 178.019 176.300 -0.193 0.000 1.134 95 R CA 3.729 59.568 56.100 -0.435 0.000 0.952 95 R CB -0.306 29.608 30.300 -0.643 0.000 0.850 95 R HN -0.209 7.909 8.270 -0.059 0.117 0.433 96 E N -0.560 119.603 120.200 -0.061 0.000 2.012 96 E HA -0.405 3.930 4.350 -0.026 0.000 0.197 96 E C 2.126 178.788 176.600 0.102 0.000 1.007 96 E CA 3.219 59.623 56.400 0.007 0.000 0.816 96 E CB -0.092 29.615 29.700 0.013 0.000 0.762 96 E HN -0.120 8.208 8.360 -0.054 0.000 0.451 97 A N -1.846 121.086 122.820 0.186 0.000 1.917 97 A HA -0.282 4.166 4.320 0.212 0.000 0.219 97 A C 2.292 180.073 177.584 0.328 0.000 1.182 97 A CA 2.956 55.158 52.037 0.275 0.000 0.633 97 A CB -0.749 18.508 19.000 0.428 0.000 0.819 97 A HN -0.482 7.783 8.150 0.192 0.000 0.448 98 G N -3.496 105.514 108.800 0.351 0.000 2.450 98 G HA2 -0.386 3.851 3.960 0.461 0.000 0.220 98 G HA3 -0.386 3.975 3.960 0.583 -0.050 0.220 98 G C 0.715 175.837 174.900 0.371 0.000 1.130 98 G CA 1.925 47.288 45.100 0.439 0.000 0.760 98 G HN 0.273 8.645 8.290 0.325 0.113 0.557 99 D N 0.405 120.944 120.400 0.232 0.000 2.149 99 D HA -0.204 4.567 4.640 0.219 0.000 0.201 99 D C 1.988 178.411 176.300 0.206 0.000 0.972 99 D CA 2.951 57.067 54.000 0.193 0.000 0.835 99 D CB 0.117 40.981 40.800 0.108 0.000 0.966 99 D HN -0.177 8.145 8.370 0.168 0.149 0.476 100 E N -0.399 119.920 120.200 0.199 0.000 2.110 100 E HA -0.293 4.110 4.350 0.088 0.000 0.193 100 E C 2.176 178.882 176.600 0.177 0.000 0.988 100 E CA 2.743 59.231 56.400 0.147 0.000 0.804 100 E CB -0.639 29.135 29.700 0.123 0.000 0.745 100 E HN -0.767 7.612 8.360 0.203 0.103 0.458 101 F N 0.505 120.565 119.950 0.184 0.000 2.060 101 F HA -0.347 4.260 4.527 0.134 0.000 0.295 101 F C 1.471 177.443 175.800 0.287 0.000 1.120 101 F CA 3.539 61.672 58.000 0.222 0.000 1.205 101 F CB 0.336 39.528 39.000 0.320 0.000 0.986 101 F HN -0.489 8.092 8.300 0.484 0.009 0.470 102 E N -0.792 119.849 120.200 0.734 0.000 2.070 102 E HA -0.459 4.571 4.350 1.134 0.000 0.197 102 E C 1.325 178.134 176.600 0.348 0.000 1.004 102 E CA 2.965 59.777 56.400 0.686 0.000 0.805 102 E CB -0.002 29.911 29.700 0.354 0.000 0.744 102 E HN -0.709 8.059 8.360 0.681 0.000 0.451 103 L N -4.358 116.989 121.223 0.207 0.000 2.131 103 L HA -0.260 4.140 4.340 0.099 0.000 0.210 103 L C 2.497 179.360 176.870 -0.012 0.000 1.092 103 L CA 2.969 57.863 54.840 0.090 0.000 0.759 103 L CB -0.108 41.986 42.059 0.058 0.000 0.903 103 L HN -0.178 8.188 8.230 0.227 0.000 0.435 104 R N -1.520 118.923 120.500 -0.095 0.000 2.070 104 R HA -0.221 3.865 4.340 -0.423 0.000 0.232 104 R C 0.891 176.857 176.300 -0.555 0.000 1.138 104 R CA 2.531 58.382 56.100 -0.416 0.000 0.936 104 R CB 0.545 30.515 30.300 -0.549 0.000 0.839 104 R HN -0.770 7.356 8.270 -0.006 0.140 0.429 105 Y N -3.499 116.791 120.300 -0.017 0.000 2.563 105 Y HA 0.189 4.736 4.550 -0.005 0.000 0.351 105 Y C -0.702 175.225 175.900 0.044 0.000 1.087 105 Y CA -1.649 56.441 58.100 -0.016 0.000 1.272 105 Y CB -0.081 38.327 38.460 -0.086 0.000 1.095 105 Y HN -0.372 7.902 8.280 -0.010 0.000 0.620 106 R N 2.988 123.644 120.500 0.261 0.000 2.241 106 R HA -0.290 4.351 4.340 0.501 0.000 0.224 106 R C 1.797 178.209 176.300 0.187 0.000 1.101 106 R CA 2.439 58.718 56.100 0.298 0.000 0.995 106 R CB -0.166 30.273 30.300 0.232 0.000 0.870 106 R HN 0.347 8.752 8.270 0.226 0.000 0.463 107 R N -1.200 119.370 120.500 0.116 0.000 2.115 107 R HA -0.340 4.027 4.340 0.046 0.000 0.239 107 R C 1.630 177.919 176.300 -0.019 0.000 1.133 107 R CA 2.865 58.987 56.100 0.036 0.000 0.935 107 R CB -0.811 29.481 30.300 -0.013 0.000 0.853 107 R HN -0.031 8.281 8.270 0.156 0.052 0.433 108 A N -2.946 119.814 122.820 -0.099 0.000 2.032 108 A HA -0.161 4.061 4.320 -0.164 0.000 0.221 108 A C 1.913 179.344 177.584 -0.256 0.000 1.165 108 A CA 2.213 54.112 52.037 -0.229 0.000 0.645 108 A CB -0.329 18.467 19.000 -0.340 0.000 0.807 108 A HN -0.420 7.689 8.150 -0.069 0.000 0.453 109 F N -2.215 117.723 119.950 -0.021 0.000 2.871 109 F HA 0.081 4.527 4.527 -0.134 0.000 0.317 109 F C -0.732 175.043 175.800 -0.042 0.000 1.193 109 F CA -0.591 57.376 58.000 -0.056 0.000 1.311 109 F CB -2.282 36.720 39.000 0.002 0.000 1.380 109 F HN -0.404 7.709 8.300 -0.042 0.162 0.557 110 S N 0.092 115.846 115.700 0.091 0.000 2.788 110 S HA 0.120 4.629 4.470 0.066 0.000 0.291 110 S C -1.256 173.359 174.600 0.024 0.000 1.061 110 S CA -1.583 56.648 58.200 0.052 0.000 0.923 110 S CB 2.146 65.362 63.200 0.027 0.000 1.339 110 S HN -0.587 7.651 8.310 0.029 0.089 0.591 111 D N 2.202 122.610 120.400 0.013 0.000 2.389 111 D HA -0.058 4.587 4.640 0.009 0.000 0.263 111 D C -0.256 176.044 176.300 0.000 0.000 1.255 111 D CA 1.092 55.096 54.000 0.008 0.000 0.914 111 D CB -0.643 40.162 40.800 0.008 0.000 1.116 111 D HN 0.149 8.527 8.370 0.015 0.000 0.502 112 L N 3.040 124.265 121.223 0.004 0.000 2.408 112 L HA 0.132 4.469 4.340 -0.006 0.000 0.215 112 L C 1.440 178.319 176.870 0.015 0.000 1.081 112 L CA 1.774 56.618 54.840 0.006 0.000 0.840 112 L CB 0.349 42.418 42.059 0.016 0.000 1.002 112 L HN 0.066 8.302 8.230 0.009 0.000 0.468 113 T N -3.398 111.169 114.554 0.021 0.000 2.951 113 T HA -0.285 4.088 4.350 0.037 0.000 0.268 113 T C 1.496 176.191 174.700 -0.008 0.000 1.073 113 T CA 2.939 65.053 62.100 0.024 0.000 1.134 113 T CB -0.350 68.542 68.868 0.040 0.000 0.884 113 T HN 0.002 8.255 8.240 0.021 0.000 0.479 114 S N -0.516 115.176 115.700 -0.013 0.000 2.428 114 S HA -0.090 4.360 4.470 -0.033 0.000 0.230 114 S C 1.196 175.759 174.600 -0.062 0.000 1.014 114 S CA 1.917 60.099 58.200 -0.031 0.000 0.957 114 S CB -0.166 63.026 63.200 -0.015 0.000 0.784 114 S HN -0.049 8.230 8.310 -0.003 0.029 0.499 115 Q N -0.689 119.080 119.800 -0.053 0.000 2.033 115 Q HA -0.114 4.188 4.340 -0.063 0.000 0.196 115 Q C 0.548 176.487 176.000 -0.100 0.000 0.970 115 Q CA 1.389 57.154 55.803 -0.062 0.000 0.828 115 Q CB 0.827 29.543 28.738 -0.035 0.000 0.895 115 Q HN -0.357 7.765 8.270 -0.033 0.128 0.440 116 L N -5.399 115.776 121.223 -0.081 0.000 2.298 116 L HA 0.485 4.740 4.340 -0.141 0.000 0.268 116 L C -1.050 175.748 176.870 -0.120 0.000 1.010 116 L CA -1.844 52.941 54.840 -0.091 0.000 0.812 116 L CB 1.672 43.732 42.059 0.002 0.000 1.331 116 L HN -0.569 7.635 8.230 -0.042 0.000 0.450 117 H N -0.100 118.994 119.070 0.041 0.000 2.761 117 H HA 0.106 4.691 4.556 0.048 0.000 0.284 117 H C -0.373 174.996 175.328 0.068 0.000 1.105 117 H CA 0.097 56.174 56.048 0.049 0.000 1.352 117 H CB -0.080 29.709 29.762 0.044 0.000 1.423 117 H HN 0.131 8.456 8.280 0.074 0.000 0.464 118 I N 7.491 128.170 120.570 0.181 0.000 2.337 118 I HA 0.131 4.406 4.170 0.175 0.000 0.285 118 I C -1.044 175.164 176.117 0.152 0.000 1.041 118 I CA -1.488 59.908 61.300 0.160 0.000 1.199 118 I CB -1.440 36.639 38.000 0.131 0.000 1.370 118 I HN -0.064 8.239 8.210 0.156 0.000 0.470 119 T N 4.033 118.681 114.554 0.157 0.000 2.900 119 T HA 0.490 4.910 4.350 0.116 0.000 0.303 119 T C -2.788 171.997 174.700 0.142 0.000 1.142 119 T CA -3.557 58.621 62.100 0.130 0.000 1.007 119 T CB 0.626 69.558 68.868 0.108 0.000 1.156 119 T HN -0.376 7.968 8.240 0.173 0.000 0.490 120 P HA -0.254 4.250 4.420 0.140 0.000 0.256 120 P C -0.368 177.013 177.300 0.135 0.000 1.189 120 P CA 1.042 64.215 63.100 0.122 0.000 0.808 120 P CB -0.928 30.821 31.700 0.082 0.000 0.793 121 G N 5.124 114.038 108.800 0.190 0.000 2.352 121 G HA2 -0.231 3.828 3.960 0.164 0.000 0.204 121 G HA3 -0.231 3.806 3.960 0.128 0.000 0.204 121 G C 0.373 175.442 174.900 0.282 0.000 1.004 121 G CA 0.198 45.408 45.100 0.182 0.000 0.648 121 G HN 0.195 8.631 8.290 0.242 0.000 0.491 122 T N 2.375 117.086 114.554 0.262 0.000 3.040 122 T HA 0.100 4.652 4.350 0.337 0.000 0.252 122 T C 1.373 176.207 174.700 0.224 0.000 1.064 122 T CA 1.627 63.880 62.100 0.256 0.000 1.110 122 T CB 0.876 69.839 68.868 0.159 0.000 0.921 122 T HN 0.018 8.206 8.240 0.213 0.179 0.480 123 A N 3.198 126.185 122.820 0.278 0.000 1.997 123 A HA -0.334 4.139 4.320 0.253 0.000 0.221 123 A C 0.763 178.503 177.584 0.259 0.000 1.172 123 A CA 2.975 55.203 52.037 0.318 0.000 0.645 123 A CB -0.944 18.321 19.000 0.443 0.000 0.813 123 A HN -0.363 7.956 8.150 0.283 0.000 0.454 124 Y N -2.061 118.275 120.300 0.059 0.000 2.165 124 Y HA -0.458 3.739 4.550 -0.588 0.000 0.286 124 Y C 1.592 177.450 175.900 -0.069 0.000 1.155 124 Y CA 2.459 60.423 58.100 -0.226 0.000 1.164 124 Y CB -1.194 37.116 38.460 -0.250 0.000 0.978 124 Y HN -0.310 8.201 8.280 0.439 0.032 0.513 125 Q N -0.799 118.323 119.800 -1.131 0.000 2.077 125 Q HA -0.406 3.148 4.340 -1.310 0.000 0.206 125 Q C 2.848 178.640 176.000 -0.346 0.000 0.989 125 Q CA 2.959 58.194 55.803 -0.946 0.000 0.853 125 Q CB -0.876 27.519 28.738 -0.571 0.000 0.907 125 Q HN 0.035 7.736 8.270 -0.780 0.101 0.418 126 S N 0.842 116.462 115.700 -0.133 0.000 2.354 126 S HA -0.373 4.077 4.470 -0.035 0.000 0.219 126 S C 1.952 176.561 174.600 0.015 0.000 1.035 126 S CA 3.188 61.385 58.200 -0.006 0.000 1.037 126 S CB -0.231 63.031 63.200 0.103 0.000 0.956 126 S HN -0.792 7.458 8.310 -0.099 0.000 0.428 127 F N 2.393 122.316 119.950 -0.046 0.000 2.045 127 F HA -0.530 4.001 4.527 0.007 0.000 0.297 127 F C 1.684 177.411 175.800 -0.122 0.000 1.114 127 F CA 4.202 62.177 58.000 -0.041 0.000 1.207 127 F CB 0.097 39.088 39.000 -0.014 0.000 0.964 127 F HN -0.198 8.277 8.300 0.292 0.000 0.486 128 E N -3.358 116.876 120.200 0.057 0.000 2.114 128 E HA -0.500 3.884 4.350 0.057 0.000 0.199 128 E C 2.647 179.198 176.600 -0.083 0.000 1.008 128 E CA 3.173 59.566 56.400 -0.013 0.000 0.810 128 E CB -0.733 28.931 29.700 -0.060 0.000 0.739 128 E HN -0.128 8.247 8.360 0.024 0.000 0.456 129 Q N -1.129 118.606 119.800 -0.109 0.000 1.941 129 Q HA -0.266 4.016 4.340 -0.097 0.000 0.201 129 Q C 2.345 178.259 176.000 -0.144 0.000 0.982 129 Q CA 2.502 58.239 55.803 -0.109 0.000 0.839 129 Q CB -0.194 28.490 28.738 -0.090 0.000 0.904 129 Q HN -0.529 7.574 8.270 -0.114 0.099 0.427 130 V N 0.289 120.099 119.914 -0.173 0.000 2.250 130 V HA -0.517 3.507 4.120 -0.160 0.000 0.253 130 V C 2.109 177.974 176.094 -0.381 0.000 1.065 130 V CA 3.820 65.966 62.300 -0.256 0.000 1.039 130 V CB -0.015 31.611 31.823 -0.328 0.000 0.647 130 V HN -0.012 8.098 8.190 -0.134 0.000 0.446 131 V N -1.314 118.319 119.914 -0.468 0.000 2.469 131 V HA -0.518 3.235 4.120 -0.613 0.000 0.251 131 V C 1.381 177.334 176.094 -0.234 0.000 1.064 131 V CA 4.347 66.352 62.300 -0.492 0.000 1.066 131 V CB -0.184 31.303 31.823 -0.560 0.000 0.667 131 V HN 0.507 8.312 8.190 -0.463 0.107 0.461 132 N N -0.306 118.293 118.700 -0.167 0.000 2.022 132 N HA -0.291 4.396 4.740 -0.088 0.000 0.194 132 N C 1.840 177.285 175.510 -0.108 0.000 1.057 132 N CA 2.995 55.980 53.050 -0.109 0.000 0.849 132 N CB -0.322 38.109 38.487 -0.094 0.000 1.044 132 N HN -0.276 7.863 8.380 -0.178 0.134 0.424 133 E N -2.021 118.107 120.200 -0.120 0.000 2.401 133 E HA -0.310 3.981 4.350 -0.099 0.000 0.199 133 E C 1.687 178.193 176.600 -0.157 0.000 1.023 133 E CA 1.525 57.855 56.400 -0.115 0.000 0.859 133 E CB -0.548 29.096 29.700 -0.094 0.000 0.780 133 E HN -0.545 7.741 8.360 -0.123 0.000 0.523 134 L N -2.182 118.915 121.223 -0.209 0.000 2.127 134 L HA -0.088 4.068 4.340 -0.307 0.000 0.203 134 L C 0.290 176.861 176.870 -0.499 0.000 1.080 134 L CA 2.287 56.924 54.840 -0.338 0.000 0.768 134 L CB 0.895 42.714 42.059 -0.401 0.000 0.924 134 L HN -0.424 7.521 8.230 -0.202 0.165 0.444 135 F N -4.777 114.998 119.950 -0.292 0.000 2.735 135 F HA 0.529 5.052 4.527 -0.257 -0.151 0.304 135 F C 1.695 177.371 175.800 -0.206 0.000 1.119 135 F CA -1.108 56.733 58.000 -0.264 0.000 1.280 135 F CB -0.119 38.708 39.000 -0.288 0.000 0.994 135 F HN -0.301 7.992 8.300 -0.012 0.000 0.520 136 R N 1.297 121.757 120.500 -0.067 0.000 2.171 136 R HA -0.343 3.955 4.340 -0.062 0.005 0.226 136 R C 0.090 176.345 176.300 -0.076 0.000 1.113 136 R CA 3.560 59.617 56.100 -0.072 0.000 0.887 136 R CB 0.213 30.463 30.300 -0.082 0.000 0.830 136 R HN -0.643 7.495 8.270 -0.110 0.066 0.432 137 D N -0.560 119.785 120.400 -0.092 0.000 2.483 137 D HA 0.052 4.642 4.640 -0.083 0.000 0.281 137 D C -1.340 174.891 176.300 -0.116 0.000 1.174 137 D CA -0.148 53.798 54.000 -0.090 0.000 0.938 137 D CB -1.965 38.792 40.800 -0.072 0.000 1.002 137 D HN -0.054 8.254 8.370 -0.102 0.000 0.501 138 G N -0.148 108.566 108.800 -0.144 0.000 2.351 138 G HA2 -0.105 3.735 3.960 -0.199 0.000 0.472 138 G HA3 -0.105 3.749 3.960 -0.176 0.000 0.472 138 G C -2.656 172.093 174.900 -0.252 0.000 1.570 138 G CA -0.574 44.410 45.100 -0.194 0.000 0.921 138 G HN -0.745 7.467 8.290 -0.129 0.000 0.674 139 V N 1.099 120.789 119.914 -0.373 0.000 4.491 139 V HA 0.079 4.127 4.120 -0.121 0.000 0.164 139 V C -0.777 175.050 176.094 -0.445 0.000 1.146 139 V CA 0.104 62.153 62.300 -0.417 0.000 1.322 139 V CB 1.834 33.094 31.823 -0.937 0.000 1.741 139 V HN 0.066 8.009 8.190 -0.410 0.000 0.542 140 N N -2.566 115.726 118.700 -0.679 0.000 5.327 140 N HA -0.270 4.401 4.740 -0.115 0.000 0.365 140 N C 0.949 176.432 175.510 -0.045 0.000 1.191 140 N CA 1.529 54.432 53.050 -0.245 0.000 2.668 140 N CB 0.025 38.451 38.487 -0.101 0.000 0.533 140 N HN -0.375 7.275 8.380 -1.215 0.000 0.758 141 W N -0.987 120.394 121.300 0.136 0.000 2.364 141 W HA -0.322 4.326 4.660 -0.020 0.000 0.281 141 W C 1.483 177.949 176.519 -0.089 0.000 1.219 141 W CA 2.217 59.445 57.345 -0.195 0.000 1.220 141 W CB -0.258 28.671 29.460 -0.885 0.000 1.127 141 W HN 0.582 8.406 8.180 -0.594 0.000 0.556 142 G N -0.873 108.109 108.800 0.304 0.000 2.480 142 G HA2 -0.407 4.012 3.960 0.764 0.000 0.216 142 G HA3 -0.407 3.817 3.960 0.439 0.000 0.216 142 G C 1.077 176.166 174.900 0.315 0.000 1.200 142 G CA 1.823 47.212 45.100 0.483 0.000 0.782 142 G HN -0.272 8.133 8.290 0.243 0.030 0.554 143 R N 1.339 121.915 120.500 0.126 0.000 2.120 143 R HA -0.307 3.982 4.340 -0.085 0.000 0.234 143 R C 2.685 179.184 176.300 0.332 0.000 1.123 143 R CA 2.957 59.020 56.100 -0.061 0.000 0.975 143 R CB -0.289 29.591 30.300 -0.700 0.000 0.866 143 R HN -0.702 7.606 8.270 0.062 0.000 0.446 144 I N -0.151 120.696 120.570 0.462 0.000 2.099 144 I HA -0.480 4.153 4.170 0.771 0.000 0.239 144 I C 1.804 178.250 176.117 0.549 0.000 1.066 144 I CA 3.619 65.277 61.300 0.596 0.000 1.324 144 I CB -0.864 37.420 38.000 0.473 0.000 1.037 144 I HN -0.575 7.741 8.210 0.345 0.101 0.401 145 V N 0.009 120.140 119.914 0.360 0.000 2.282 145 V HA -0.618 3.573 4.120 0.119 0.000 0.249 145 V C 1.716 177.951 176.094 0.234 0.000 1.057 145 V CA 5.160 67.625 62.300 0.275 0.000 1.032 145 V CB -0.449 31.610 31.823 0.393 0.000 0.645 145 V HN -0.152 8.251 8.190 0.355 0.000 0.447 146 A N -1.155 121.786 122.820 0.202 0.000 1.972 146 A HA -0.325 3.940 4.320 -0.092 0.000 0.219 146 A C 1.606 179.285 177.584 0.159 0.000 1.169 146 A CA 2.940 54.947 52.037 -0.050 0.000 0.635 146 A CB -0.716 17.984 19.000 -0.500 0.000 0.810 146 A HN -0.498 7.807 8.150 0.257 0.000 0.446 147 F N 0.269 120.302 119.950 0.139 0.000 2.134 147 F HA -0.370 4.192 4.527 0.060 0.000 0.299 147 F C 1.211 177.037 175.800 0.044 0.000 1.097 147 F CA 1.664 59.741 58.000 0.128 0.000 1.264 147 F CB -0.237 38.901 39.000 0.230 0.000 1.001 147 F HN -0.138 8.332 8.300 0.483 0.120 0.479 148 F N -1.611 118.119 119.950 -0.366 0.000 2.075 148 F HA -0.515 3.562 4.527 -0.750 0.000 0.297 148 F C 2.250 177.528 175.800 -0.869 0.000 1.113 148 F CA 4.439 61.966 58.000 -0.789 0.000 1.218 148 F CB -0.468 37.895 39.000 -1.062 0.000 0.984 148 F HN -0.363 8.182 8.300 0.409 0.000 0.472 149 S N -0.824 114.508 115.700 -0.613 0.000 2.382 149 S HA -0.411 4.043 4.470 -0.025 0.000 0.228 149 S C 2.004 176.610 174.600 0.009 0.000 1.027 149 S CA 2.941 61.028 58.200 -0.190 0.000 0.991 149 S CB -0.137 63.117 63.200 0.089 0.000 0.823 149 S HN -0.581 7.445 8.310 -0.473 0.000 0.469 150 F N 2.116 122.077 119.950 0.017 0.000 2.015 150 F HA -0.457 4.329 4.527 0.432 0.000 0.297 150 F C 1.713 177.535 175.800 0.037 0.000 1.141 150 F CA 3.514 61.597 58.000 0.138 0.000 1.192 150 F CB -0.101 38.937 39.000 0.062 0.000 0.957 150 F HN 0.158 8.395 8.300 0.225 0.198 0.491 151 G N -3.572 105.385 108.800 0.261 0.000 2.462 151 G HA2 -0.464 3.703 3.960 0.346 0.000 0.220 151 G HA3 -0.464 3.546 3.960 0.083 0.000 0.220 151 G C 1.213 176.152 174.900 0.066 0.000 1.121 151 G CA 1.720 46.930 45.100 0.183 0.000 0.758 151 G HN -0.331 8.017 8.290 0.096 0.000 0.559 152 G N 1.421 110.221 108.800 -0.000 0.000 2.511 152 G HA2 -0.393 3.550 3.960 -0.028 0.000 0.216 152 G HA3 -0.393 3.627 3.960 0.053 -0.028 0.216 152 G C 0.495 175.362 174.900 -0.055 0.000 1.218 152 G CA 1.620 46.714 45.100 -0.009 0.000 0.788 152 G HN -0.464 7.671 8.290 -0.029 0.138 0.560 153 A N 1.424 124.190 122.820 -0.089 0.000 1.972 153 A HA -0.277 3.958 4.320 -0.142 0.000 0.219 153 A C 1.887 179.446 177.584 -0.041 0.000 1.169 153 A CA 2.856 54.833 52.037 -0.100 0.000 0.635 153 A CB -0.431 18.515 19.000 -0.089 0.000 0.810 153 A HN -0.285 7.798 8.150 -0.112 0.000 0.446 154 L N -2.378 118.856 121.223 0.019 0.000 2.141 154 L HA -0.195 4.172 4.340 0.045 0.000 0.209 154 L C 1.432 178.324 176.870 0.037 0.000 1.094 154 L CA 2.073 56.952 54.840 0.066 0.000 0.763 154 L CB -1.068 41.105 42.059 0.189 0.000 0.908 154 L HN -0.440 7.797 8.230 0.040 0.017 0.437 155 C N 0.025 119.328 119.300 0.004 0.000 2.473 155 C HA -0.300 4.148 4.460 -0.020 0.000 0.279 155 C C 1.896 176.810 174.990 -0.128 0.000 1.250 155 C CA 3.268 62.260 59.018 -0.043 0.000 1.713 155 C CB -0.058 27.667 27.740 -0.025 0.000 2.066 155 C HN -0.036 8.065 8.230 0.007 0.134 0.474 156 V N 0.521 120.312 119.914 -0.204 0.000 2.453 156 V HA -0.625 3.157 4.120 -0.564 0.000 0.252 156 V C 2.281 178.211 176.094 -0.274 0.000 1.068 156 V CA 4.265 66.321 62.300 -0.407 0.000 1.070 156 V CB -0.345 31.189 31.823 -0.482 0.000 0.664 156 V HN -0.562 7.527 8.190 -0.169 0.000 0.461 157 E N -1.015 119.107 120.200 -0.130 0.000 2.072 157 E HA -0.291 4.029 4.350 -0.050 0.000 0.191 157 E C 2.042 178.638 176.600 -0.006 0.000 0.985 157 E CA 2.818 59.189 56.400 -0.049 0.000 0.801 157 E CB -0.592 29.101 29.700 -0.012 0.000 0.750 157 E HN -0.422 7.846 8.360 -0.110 0.025 0.452 158 S N -0.359 115.339 115.700 -0.003 0.000 2.338 158 S HA -0.296 4.203 4.470 0.049 0.000 0.218 158 S C 2.275 176.898 174.600 0.039 0.000 1.032 158 S CA 3.018 61.234 58.200 0.027 0.000 0.999 158 S CB -0.113 63.103 63.200 0.026 0.000 0.905 158 S HN -0.788 7.423 8.310 -0.019 0.087 0.439 159 V N 0.875 120.795 119.914 0.011 0.000 2.370 159 V HA -0.535 3.641 4.120 0.092 -0.001 0.252 159 V C 1.744 177.974 176.094 0.227 0.000 1.068 159 V CA 3.219 65.581 62.300 0.104 0.000 1.061 159 V CB -1.102 30.779 31.823 0.097 0.000 0.656 159 V HN -0.082 8.076 8.190 -0.053 0.000 0.455 160 D N 0.556 121.078 120.400 0.204 0.000 2.218 160 D HA -0.181 4.688 4.640 0.381 0.000 0.204 160 D C 1.064 177.453 176.300 0.148 0.000 0.976 160 D CA 2.446 56.591 54.000 0.243 0.000 0.853 160 D CB 0.123 41.024 40.800 0.168 0.000 0.939 160 D HN -0.520 7.882 8.370 0.088 0.021 0.481 161 K N -2.196 118.269 120.400 0.108 0.000 2.577 161 K HA 0.058 4.428 4.320 0.082 0.000 0.210 161 K C -1.319 175.331 176.600 0.084 0.000 1.048 161 K CA -1.303 55.036 56.287 0.086 0.000 1.188 161 K CB -0.079 32.465 32.500 0.073 0.000 0.910 161 K HN -0.318 7.826 8.250 0.098 0.164 0.483 162 E N -3.377 116.882 120.200 0.098 0.000 2.637 162 E HA -0.459 3.952 4.350 0.101 0.000 0.265 162 E C -1.546 175.102 176.600 0.081 0.000 1.073 162 E CA 1.437 57.891 56.400 0.088 0.000 0.778 162 E CB -1.299 28.441 29.700 0.068 0.000 1.362 162 E HN -0.341 7.992 8.360 0.121 0.100 0.413 163 M N -1.826 117.824 119.600 0.083 0.000 1.960 163 M HA 0.283 4.802 4.480 0.064 0.000 0.271 163 M C -0.596 175.731 176.300 0.045 0.000 0.862 163 M CA -0.746 54.594 55.300 0.065 0.000 0.854 163 M CB 0.578 33.218 32.600 0.067 0.000 1.575 163 M HN -0.712 7.612 8.290 0.092 0.020 0.375 164 Q N 1.122 120.952 119.800 0.050 0.000 2.376 164 Q HA -0.016 4.283 4.340 -0.069 0.000 0.206 164 Q C 1.635 177.617 176.000 -0.030 0.000 0.921 164 Q CA 2.214 58.020 55.803 0.006 0.000 0.911 164 Q CB 0.434 29.256 28.738 0.140 0.000 1.032 164 Q HN 0.345 8.658 8.270 0.071 0.000 0.510 165 V N 0.031 119.944 119.914 -0.001 0.000 2.527 165 V HA -0.436 3.666 4.120 -0.030 0.000 0.255 165 V C 0.883 176.931 176.094 -0.078 0.000 1.081 165 V CA 3.512 65.798 62.300 -0.023 0.000 1.092 165 V CB -0.725 31.106 31.823 0.013 0.000 0.673 165 V HN 0.144 8.349 8.190 0.025 0.000 0.470 166 L N -4.941 116.243 121.223 -0.066 0.000 2.313 166 L HA -0.110 4.129 4.340 -0.168 0.000 0.214 166 L C 2.002 178.737 176.870 -0.226 0.000 1.119 166 L CA 0.404 55.173 54.840 -0.118 0.000 0.809 166 L CB -2.228 39.840 42.059 0.014 0.000 0.933 166 L HN -0.417 7.763 8.230 -0.026 0.034 0.449 167 V N 1.282 121.088 119.914 -0.180 0.000 2.221 167 V HA -0.570 3.474 4.120 -0.127 0.000 0.244 167 V C 1.821 177.791 176.094 -0.208 0.000 1.043 167 V CA 4.255 66.444 62.300 -0.186 0.000 0.996 167 V CB -0.890 30.750 31.823 -0.304 0.000 0.636 167 V HN 0.258 8.193 8.190 -0.144 0.169 0.454 168 S N -0.789 114.778 115.700 -0.221 0.000 2.374 168 S HA -0.492 3.898 4.470 -0.133 0.000 0.227 168 S C 2.067 176.437 174.600 -0.382 0.000 1.037 168 S CA 3.360 61.429 58.200 -0.217 0.000 1.024 168 S CB -0.251 62.841 63.200 -0.180 0.000 0.861 168 S HN -0.297 7.887 8.310 -0.210 0.000 0.456 169 R N 0.565 120.745 120.500 -0.533 0.000 2.117 169 R HA -0.320 3.562 4.340 -0.763 0.000 0.243 169 R C 2.840 177.972 176.300 -1.946 0.000 1.143 169 R CA 3.142 58.630 56.100 -1.021 0.000 0.968 169 R CB -0.192 29.588 30.300 -0.866 0.000 0.863 169 R HN -0.756 7.272 8.270 -0.397 0.004 0.444 170 I N -0.818 118.985 120.570 -1.279 0.000 2.286 170 I HA -0.384 3.033 4.170 -1.254 0.000 0.245 170 I C 1.171 177.005 176.117 -0.471 0.000 1.104 170 I CA 3.235 63.996 61.300 -0.898 0.000 1.397 170 I CB -0.144 37.695 38.000 -0.268 0.000 1.072 170 I HN 0.006 7.512 8.210 -0.818 0.213 0.417 171 A N 0.296 122.936 122.820 -0.300 0.000 1.892 171 A HA -0.357 3.890 4.320 -0.120 0.000 0.218 171 A C 1.857 179.357 177.584 -0.140 0.000 1.188 171 A CA 3.089 55.049 52.037 -0.129 0.000 0.631 171 A CB -0.876 18.159 19.000 0.058 0.000 0.822 171 A HN -0.034 7.868 8.150 -0.294 0.071 0.447 172 A N -2.166 120.531 122.820 -0.204 0.000 1.902 172 A HA -0.347 3.964 4.320 -0.015 0.000 0.217 172 A C 1.516 179.140 177.584 0.066 0.000 1.181 172 A CA 3.186 55.174 52.037 -0.080 0.000 0.623 172 A CB -0.430 18.509 19.000 -0.102 0.000 0.818 172 A HN -0.083 7.873 8.150 -0.323 0.000 0.443 173 W N -2.455 118.766 121.300 -0.132 0.000 2.358 173 W HA -0.291 4.347 4.660 -0.036 0.000 0.303 173 W C 2.688 179.256 176.519 0.082 0.000 1.208 173 W CA 2.195 59.451 57.345 -0.147 0.000 1.274 173 W CB -0.977 28.092 29.460 -0.651 0.000 1.138 173 W HN -0.619 7.234 8.180 -0.414 0.078 0.515 174 M N -2.263 117.462 119.600 0.208 0.000 2.117 174 M HA -0.449 4.332 4.480 0.502 0.000 0.262 174 M C 1.884 178.264 176.300 0.134 0.000 1.065 174 M CA 3.899 59.246 55.300 0.078 0.000 1.114 174 M CB -0.353 31.910 32.600 -0.562 0.000 1.361 174 M HN -0.004 8.305 8.290 0.032 0.000 0.408 175 A N -2.056 120.803 122.820 0.065 0.000 1.840 175 A HA -0.135 4.263 4.320 0.130 0.000 0.214 175 A C 2.389 180.112 177.584 0.233 0.000 1.198 175 A CA 2.894 55.008 52.037 0.128 0.000 0.608 175 A CB -0.385 18.661 19.000 0.077 0.000 0.839 175 A HN -0.426 7.736 8.150 0.019 0.000 0.443 176 T N 1.588 116.270 114.554 0.214 0.000 2.822 176 T HA -0.420 4.017 4.350 0.146 0.000 0.270 176 T C 1.475 176.304 174.700 0.214 0.000 1.064 176 T CA 4.065 66.278 62.100 0.187 0.000 1.131 176 T CB -0.767 68.201 68.868 0.167 0.000 0.858 176 T HN 0.349 8.703 8.240 0.189 0.000 0.483 177 Y N 2.674 123.101 120.300 0.212 0.000 2.241 177 Y HA -0.410 4.306 4.550 0.277 0.000 0.286 177 Y C 1.645 177.640 175.900 0.158 0.000 1.166 177 Y CA 4.020 62.259 58.100 0.231 0.000 1.203 177 Y CB -0.370 38.251 38.460 0.269 0.000 0.977 177 Y HN -0.439 8.105 8.280 0.489 0.029 0.529 178 L N -4.053 117.363 121.223 0.322 0.000 2.034 178 L HA -0.328 4.254 4.340 0.252 -0.091 0.203 178 L C 1.407 178.376 176.870 0.165 0.000 1.074 178 L CA 2.540 57.553 54.840 0.288 0.000 0.748 178 L CB -0.342 42.002 42.059 0.475 0.000 0.905 178 L HN -0.158 8.155 8.230 0.383 0.147 0.439 179 N N -3.215 115.578 118.700 0.154 0.000 2.289 179 N HA -0.291 4.513 4.740 0.107 0.000 0.184 179 N C 0.411 175.911 175.510 -0.016 0.000 1.016 179 N CA 2.054 55.156 53.050 0.086 0.000 0.872 179 N CB 0.513 39.053 38.487 0.088 0.000 0.973 179 N HN -0.764 7.734 8.380 0.197 0.000 0.433 180 D N -2.912 117.424 120.400 -0.106 0.000 2.414 180 D HA 0.080 4.585 4.640 -0.225 0.000 0.237 180 D C 0.902 176.921 176.300 -0.468 0.000 0.975 180 D CA 2.023 55.834 54.000 -0.314 0.000 0.917 180 D CB 1.467 41.999 40.800 -0.446 0.000 1.061 180 D HN 0.360 8.560 8.370 -0.057 0.136 0.480 181 H N -1.968 116.925 119.070 -0.295 0.000 2.320 181 H HA 0.112 4.495 4.556 -0.289 0.000 0.321 181 H C 1.016 176.207 175.328 -0.228 0.000 1.141 181 H CA 0.782 56.587 56.048 -0.405 0.000 1.670 181 H CB 1.557 30.746 29.762 -0.954 0.000 1.515 181 H HN 0.056 7.971 8.280 -0.382 0.135 0.638 182 L N 0.212 121.398 121.223 -0.063 0.000 2.449 182 L HA -0.227 4.161 4.340 0.081 0.000 0.266 182 L C -0.418 176.574 176.870 0.203 0.000 1.321 182 L CA 1.169 56.065 54.840 0.094 0.000 1.194 182 L CB -2.253 39.869 42.059 0.104 0.000 1.384 182 L HN 0.181 8.222 8.230 -0.171 0.086 0.438 183 E N 2.708 123.003 120.200 0.158 0.000 3.596 183 E HA 0.319 4.754 4.350 0.142 0.000 0.188 183 E C -1.204 175.455 176.600 0.098 0.000 1.232 183 E CA 2.017 58.490 56.400 0.122 0.000 1.460 183 E CB -0.380 29.361 29.700 0.069 0.000 1.513 183 E HN 0.242 8.645 8.360 0.127 0.033 0.530 184 P HA -0.175 4.265 4.420 0.033 0.000 0.217 184 P C 0.932 178.278 177.300 0.077 0.000 1.148 184 P CA 2.579 65.716 63.100 0.063 0.000 0.834 184 P CB -0.210 31.525 31.700 0.059 0.000 0.783 185 W N -2.249 119.009 121.300 -0.069 0.000 2.453 185 W HA -0.167 4.437 4.660 -0.093 0.000 0.289 185 W C 0.823 177.266 176.519 -0.126 0.000 1.215 185 W CA 2.748 60.028 57.345 -0.107 0.000 1.297 185 W CB 0.041 29.418 29.460 -0.138 0.000 1.113 185 W HN -0.194 8.138 8.180 0.299 0.027 0.551 186 I N -0.190 120.155 120.570 -0.374 0.000 2.118 186 I HA -0.739 2.516 4.170 -1.525 0.000 0.241 186 I C 2.224 178.065 176.117 -0.460 0.000 1.070 186 I CA 3.775 64.641 61.300 -0.723 0.000 1.327 186 I CB -0.503 37.294 38.000 -0.338 0.000 1.034 186 I HN -0.766 7.422 8.210 0.125 0.097 0.405 187 Q N -1.879 117.786 119.800 -0.226 0.000 2.016 187 Q HA -0.350 4.003 4.340 -0.090 -0.067 0.200 187 Q C 2.857 178.769 176.000 -0.146 0.000 0.978 187 Q CA 2.883 58.612 55.803 -0.123 0.000 0.833 187 Q CB -0.279 28.431 28.738 -0.046 0.000 0.895 187 Q HN -0.372 7.807 8.270 -0.152 0.000 0.427 188 E N 0.683 120.785 120.200 -0.164 0.000 2.114 188 E HA -0.344 3.961 4.350 -0.076 0.000 0.199 188 E C 1.921 178.410 176.600 -0.185 0.000 1.008 188 E CA 2.285 58.605 56.400 -0.135 0.000 0.810 188 E CB -0.441 29.204 29.700 -0.093 0.000 0.739 188 E HN -0.466 7.806 8.360 -0.147 0.000 0.456 189 N N -3.330 115.137 118.700 -0.389 0.000 2.381 189 N HA -0.159 4.433 4.740 -0.246 0.000 0.182 189 N C 0.366 175.846 175.510 -0.049 0.000 1.025 189 N CA 0.823 53.663 53.050 -0.350 0.000 0.888 189 N CB 0.938 38.874 38.487 -0.919 0.000 0.965 189 N HN -0.027 7.885 8.380 -0.592 0.113 0.438 190 G N -4.425 104.348 108.800 -0.044 0.000 2.207 190 G HA2 -0.164 3.800 3.960 0.004 0.000 0.193 190 G HA3 -0.164 3.840 3.960 0.073 0.000 0.193 190 G C -1.229 173.686 174.900 0.025 0.000 1.050 190 G CA -0.391 44.724 45.100 0.026 0.000 0.780 190 G HN -0.209 7.826 8.290 -0.132 0.176 0.504 191 G N -1.393 107.398 108.800 -0.016 0.000 2.825 191 G HA2 -0.391 3.576 3.960 -0.028 0.000 0.684 191 G HA3 -0.391 3.592 3.960 0.039 0.000 0.684 191 G C 0.323 175.223 174.900 -0.000 0.000 1.528 191 G CA -0.608 44.493 45.100 0.001 0.000 0.963 191 G HN -0.553 7.582 8.290 -0.074 0.110 0.577 192 W N 1.513 122.805 121.300 -0.014 0.000 2.313 192 W HA -0.522 4.052 4.660 -0.144 0.000 0.293 192 W C 0.877 177.356 176.519 -0.067 0.000 1.216 192 W CA 3.124 60.437 57.345 -0.052 0.000 1.223 192 W CB 0.032 29.503 29.460 0.018 0.000 1.138 192 W HN 0.462 8.765 8.180 0.206 0.000 0.535 193 D N -3.112 117.394 120.400 0.176 0.000 2.097 193 D HA -0.353 4.330 4.640 0.072 0.000 0.195 193 D C 1.919 178.190 176.300 -0.049 0.000 0.989 193 D CA 3.301 57.338 54.000 0.061 0.000 0.827 193 D CB -0.683 40.144 40.800 0.045 0.000 0.966 193 D HN 0.163 8.611 8.370 0.181 0.031 0.456 194 T N 2.313 116.832 114.554 -0.059 0.000 2.665 194 T HA -0.393 3.931 4.350 -0.043 0.000 0.268 194 T C 1.379 175.904 174.700 -0.292 0.000 1.035 194 T CA 4.557 66.610 62.100 -0.078 0.000 1.151 194 T CB -0.235 68.671 68.868 0.064 0.000 0.862 194 T HN -0.351 7.787 8.240 -0.015 0.093 0.438 195 F N 2.036 121.456 119.950 -0.883 0.000 2.063 195 F HA -0.408 2.654 4.527 -2.442 0.000 0.298 195 F C 1.036 176.480 175.800 -0.594 0.000 1.109 195 F CA 3.206 60.274 58.000 -1.553 0.000 1.212 195 F CB -0.505 37.419 39.000 -1.793 0.000 0.973 195 F HN -0.689 7.189 8.300 -0.582 0.073 0.480 196 V N 0.189 119.547 119.914 -0.927 0.000 2.282 196 V HA -0.704 2.654 4.120 -1.271 0.000 0.249 196 V C 1.708 177.516 176.094 -0.476 0.000 1.057 196 V CA 4.554 66.370 62.300 -0.806 0.000 1.032 196 V CB -0.051 31.573 31.823 -0.331 0.000 0.645 196 V HN -0.590 7.290 8.190 -0.398 0.071 0.447 197 E N -2.089 117.935 120.200 -0.293 0.000 2.047 197 E HA -0.329 3.943 4.350 -0.130 0.000 0.191 197 E C 2.521 179.067 176.600 -0.089 0.000 0.987 197 E CA 2.603 58.915 56.400 -0.146 0.000 0.799 197 E CB -0.098 29.558 29.700 -0.075 0.000 0.752 197 E HN -0.802 7.306 8.360 -0.276 0.087 0.449 198 L N -1.374 119.818 121.223 -0.053 0.000 1.976 198 L HA -0.301 4.133 4.340 0.156 0.000 0.209 198 L C 2.096 179.112 176.870 0.244 0.000 1.071 198 L CA 3.060 57.999 54.840 0.166 0.000 0.746 198 L CB 0.605 42.899 42.059 0.392 0.000 0.890 198 L HN 0.177 8.325 8.230 -0.135 0.000 0.432 199 Y N -4.646 115.554 120.300 -0.167 0.000 2.461 199 Y HA 0.082 4.655 4.550 0.039 0.000 0.277 199 Y C 0.941 176.721 175.900 -0.201 0.000 1.182 199 Y CA -1.316 56.729 58.100 -0.091 0.000 1.276 199 Y CB -1.046 37.458 38.460 0.073 0.000 1.087 199 Y HN 0.037 8.308 8.280 -0.015 0.000 0.519 200 G N -0.090 108.623 108.800 -0.146 0.000 2.846 200 G HA2 -0.405 3.390 3.960 -0.224 0.000 0.257 200 G HA3 -0.405 3.486 3.960 -0.151 -0.021 0.257 200 G C -0.312 174.540 174.900 -0.081 0.000 1.253 200 G CA 0.074 45.079 45.100 -0.158 0.000 0.918 200 G HN -0.753 7.253 8.290 -0.154 0.191 0.597 201 N N -0.206 118.451 118.700 -0.073 0.000 2.184 201 N HA -0.409 4.550 4.740 -0.038 -0.242 0.190 201 N C 1.915 177.401 175.510 -0.041 0.000 1.011 201 N CA 3.610 56.631 53.050 -0.048 0.000 0.867 201 N CB 0.201 38.661 38.487 -0.044 0.000 0.993 201 N HN 0.306 8.633 8.380 -0.087 0.000 0.433 202 N N -1.282 117.392 118.700 -0.043 0.000 2.120 202 N HA -0.259 4.463 4.740 -0.030 0.000 0.188 202 N C 1.266 176.753 175.510 -0.039 0.000 1.024 202 N CA 2.836 55.865 53.050 -0.035 0.000 0.852 202 N CB -0.465 38.005 38.487 -0.030 0.000 1.003 202 N HN -0.031 8.293 8.380 -0.051 0.025 0.424 203 A N -0.510 122.281 122.820 -0.049 0.000 1.825 203 A HA -0.171 4.109 4.320 -0.066 0.000 0.214 203 A C 1.729 179.258 177.584 -0.092 0.000 1.206 203 A CA 2.980 54.969 52.037 -0.080 0.000 0.609 203 A CB -0.917 18.014 19.000 -0.116 0.000 0.851 203 A HN -0.110 7.916 8.150 -0.048 0.094 0.445 204 A N -2.421 120.351 122.820 -0.081 0.000 2.042 204 A HA -0.376 3.904 4.320 -0.068 0.000 0.222 204 A C 1.900 179.464 177.584 -0.033 0.000 1.167 204 A CA 2.714 54.722 52.037 -0.047 0.000 0.649 204 A CB -0.857 18.145 19.000 0.003 0.000 0.809 204 A HN -0.375 7.733 8.150 -0.069 0.000 0.457 205 A N -1.532 121.268 122.820 -0.033 0.000 1.835 205 A HA -0.338 3.970 4.320 -0.019 0.000 0.215 205 A C 2.112 179.680 177.584 -0.027 0.000 1.199 205 A CA 2.900 54.922 52.037 -0.025 0.000 0.615 205 A CB -0.929 18.056 19.000 -0.024 0.000 0.838 205 A HN -0.216 7.876 8.150 -0.038 0.036 0.444 206 E N -1.650 118.531 120.200 -0.031 0.000 2.065 206 E HA -0.517 3.819 4.350 -0.023 0.000 0.201 206 E C 2.454 179.035 176.600 -0.031 0.000 1.016 206 E CA 3.147 59.529 56.400 -0.029 0.000 0.818 206 E CB -0.390 29.292 29.700 -0.030 0.000 0.749 206 E HN -0.595 7.744 8.360 -0.034 0.000 0.453 207 S N -0.866 114.808 115.700 -0.043 0.000 2.359 207 S HA -0.351 4.095 4.470 -0.040 0.000 0.223 207 S C 2.021 176.601 174.600 -0.033 0.000 1.039 207 S CA 3.363 61.537 58.200 -0.043 0.000 1.042 207 S CB 0.104 63.270 63.200 -0.057 0.000 0.915 207 S HN -0.465 7.813 8.310 -0.053 0.000 0.439 208 R N 0.348 120.832 120.500 -0.027 0.000 2.152 208 R HA -0.258 4.138 4.340 -0.023 -0.070 0.232 208 R C 2.932 179.220 176.300 -0.020 0.000 1.117 208 R CA 2.794 58.882 56.100 -0.020 0.000 0.981 208 R CB -0.287 30.006 30.300 -0.011 0.000 0.870 208 R HN -0.410 7.844 8.270 -0.028 0.000 0.451 209 K N -1.792 118.596 120.400 -0.020 0.000 2.228 209 K HA -0.160 4.151 4.320 -0.015 0.000 0.202 209 K C 1.088 177.677 176.600 -0.018 0.000 1.051 209 K CA 2.217 58.494 56.287 -0.017 0.000 0.960 209 K CB 0.195 32.685 32.500 -0.016 0.000 0.743 209 K HN -0.059 8.035 8.250 -0.022 0.142 0.458 210 G N -3.707 105.080 108.800 -0.021 0.000 3.277 210 G HA2 0.203 4.153 3.960 -0.018 0.000 0.243 210 G HA3 0.203 4.151 3.960 -0.020 0.000 0.243 210 G C -0.212 174.673 174.900 -0.026 0.000 1.107 210 G CA 0.261 45.349 45.100 -0.021 0.000 0.771 210 G HN -0.168 7.976 8.290 -0.024 0.132 0.544 211 Q N 0.097 119.878 119.800 -0.031 0.000 2.577 211 Q HA 0.184 4.500 4.340 -0.041 0.000 0.242 211 Q C 1.305 177.280 176.000 -0.042 0.000 0.818 211 Q CA 0.315 56.093 55.803 -0.042 0.000 0.962 211 Q CB 1.094 29.800 28.738 -0.053 0.000 1.272 211 Q HN -0.434 7.650 8.270 -0.029 0.169 0.593 212 E N 0.036 120.215 120.200 -0.035 0.000 2.219 212 E HA -0.270 4.057 4.350 -0.038 0.000 0.198 212 E C 1.402 177.987 176.600 -0.024 0.000 0.998 212 E CA 1.796 58.178 56.400 -0.030 0.000 0.818 212 E CB 0.055 29.743 29.700 -0.020 0.000 0.741 212 E HN -0.269 7.966 8.360 -0.031 0.107 0.477 213 R N -3.240 117.247 120.500 -0.022 0.000 1.238 213 R HA -0.446 3.884 4.340 -0.016 0.000 0.031 213 R C 0.370 176.663 176.300 -0.012 0.000 0.958 213 R CA 2.368 58.458 56.100 -0.017 0.000 1.983 213 R CB -1.339 28.951 30.300 -0.017 0.000 0.178 213 R HN 0.053 8.267 8.270 -0.023 0.042 0.730 214 L N -2.830 118.387 121.223 -0.011 0.000 3.467 214 L HA -0.427 4.009 4.340 -0.006 -0.099 0.185 214 L C -0.433 176.434 176.870 -0.005 0.000 4.356 214 L CA 2.390 57.226 54.840 -0.007 0.000 0.777 214 L CB -0.517 41.538 42.059 -0.007 0.000 3.491 214 L HN 0.243 8.472 8.230 -0.012 -0.007 0.841 215 E N 0.000 120.197 120.200 -0.005 0.000 2.725 215 E HA 0.000 4.347 4.350 -0.004 0.000 0.291 215 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 215 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 215 E HN 0.000 8.299 8.360 -0.007 0.057 0.440