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 2izd_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 13 A HA 0.000 4.704 4.320 0.641 0.000 0.244 13 A C 0.000 177.741 177.584 0.262 0.000 1.274 13 A CA 0.000 52.270 52.037 0.388 0.000 0.836 13 A CB 0.000 19.129 19.000 0.214 0.000 0.831 14 E N -1.475 118.860 120.200 0.226 0.000 4.201 14 E HA -0.572 3.941 4.350 0.271 0.000 0.197 14 E C -0.456 176.135 176.600 -0.014 0.000 1.283 14 E CA 2.076 58.579 56.400 0.170 0.000 2.240 14 E CB -1.741 28.061 29.700 0.171 0.000 1.878 14 E HN 0.124 8.668 8.360 0.307 0.000 0.315 15 A N 1.085 123.911 122.820 0.010 0.000 2.251 15 A HA -0.089 4.173 4.320 -0.096 0.000 0.278 15 A C 0.313 177.822 177.584 -0.125 0.000 1.206 15 A CA 0.318 52.323 52.037 -0.054 0.000 0.822 15 A CB 0.414 19.423 19.000 0.015 0.000 1.187 15 A HN -0.086 8.064 8.150 0.078 0.047 0.504 16 G N -3.126 105.621 108.800 -0.088 0.000 2.284 16 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.261 16 G HA3 -0.301 3.744 3.960 0.142 0.000 0.261 16 G C 1.171 175.999 174.900 -0.119 0.000 0.997 16 G CA 1.363 46.450 45.100 -0.022 0.000 0.621 16 G HN 0.009 8.257 8.290 -0.070 0.000 0.534 17 I N 0.189 120.499 120.570 -0.433 0.000 2.315 17 I HA -0.380 3.640 4.170 -0.250 0.000 0.248 17 I C -0.285 175.781 176.117 -0.085 0.000 1.117 17 I CA 2.749 63.811 61.300 -0.397 0.000 1.404 17 I CB -0.216 37.354 38.000 -0.715 0.000 1.071 17 I HN -0.664 7.136 8.210 -0.505 0.107 0.419 18 T N -0.795 113.656 114.554 -0.172 0.000 2.946 18 T HA -0.267 4.161 4.350 -0.165 -0.178 0.311 18 T C 0.200 174.812 174.700 -0.146 0.000 1.063 18 T CA 3.181 65.192 62.100 -0.148 0.000 1.139 18 T CB 0.207 68.987 68.868 -0.146 0.000 0.994 18 T HN -0.595 7.498 8.240 -0.226 0.011 0.547 19 G N 3.224 111.904 108.800 -0.199 0.000 2.325 19 G HA2 -0.206 3.599 3.960 -0.259 0.000 0.285 19 G HA3 -0.206 3.500 3.960 -0.424 0.000 0.285 19 G C -3.145 171.511 174.900 -0.407 0.000 1.303 19 G CA -0.183 44.724 45.100 -0.322 0.000 0.970 19 G HN -0.104 8.073 8.290 -0.188 0.000 0.490 20 T N 2.098 116.338 114.554 -0.524 0.000 2.797 20 T HA 0.768 5.008 4.350 -0.470 -0.172 0.279 20 T C -1.008 173.247 174.700 -0.742 0.000 0.991 20 T CA 0.603 62.382 62.100 -0.534 0.000 0.979 20 T CB 1.290 69.925 68.868 -0.389 0.000 0.943 20 T HN 0.013 7.948 8.240 -0.509 0.000 0.444 21 W N 5.066 125.951 121.300 -0.691 0.000 2.799 21 W HA 0.454 5.170 4.660 -0.136 -0.138 0.349 21 W C -1.729 174.554 176.519 -0.394 0.000 1.100 21 W CA -1.398 55.702 57.345 -0.409 0.000 1.174 21 W CB 3.615 32.790 29.460 -0.475 0.000 1.427 21 W HN 0.968 8.847 8.180 -0.502 0.000 0.547 22 Y N -2.945 117.626 120.300 0.452 0.000 2.545 22 Y HA 0.877 5.847 4.550 0.353 -0.208 0.348 22 Y C -0.999 175.165 175.900 0.440 0.000 1.002 22 Y CA -1.899 56.424 58.100 0.372 0.000 1.039 22 Y CB 3.824 42.393 38.460 0.183 0.000 1.271 22 Y HN 1.036 9.741 8.280 0.709 0.000 0.467 23 N N -0.272 118.687 118.700 0.431 0.000 2.471 23 N HA 0.675 5.624 4.740 -0.001 -0.210 0.288 23 N C 1.990 177.558 175.510 0.098 0.000 1.220 23 N CA -3.074 49.999 53.050 0.038 0.000 0.893 23 N CB 2.182 40.453 38.487 -0.358 0.000 1.256 23 N HN -0.032 8.607 8.380 0.431 0.000 0.534 24 Q N 0.034 119.854 119.800 0.034 0.000 2.325 24 Q HA -0.262 4.120 4.340 0.069 0.000 0.211 24 Q C 0.362 176.400 176.000 0.063 0.000 0.988 24 Q CA 2.728 58.565 55.803 0.057 0.000 0.887 24 Q CB -0.563 28.201 28.738 0.044 0.000 0.915 24 Q HN 0.276 8.527 8.270 -0.032 0.000 0.440 25 L N -3.288 117.979 121.223 0.073 0.000 2.446 25 L HA 0.179 4.554 4.340 0.060 0.000 0.219 25 L C 1.098 178.027 176.870 0.100 0.000 1.116 25 L CA -0.135 54.752 54.840 0.078 0.000 0.844 25 L CB 0.596 42.705 42.059 0.083 0.000 0.970 25 L HN -0.441 7.970 8.230 0.068 -0.141 0.457 26 G N -2.901 105.982 108.800 0.138 0.000 2.184 26 G HA2 -0.320 3.749 3.960 0.182 0.000 0.206 26 G HA3 -0.320 3.714 3.960 0.123 0.000 0.206 26 G C -0.455 174.570 174.900 0.210 0.000 0.995 26 G CA -0.367 44.832 45.100 0.165 0.000 0.651 26 G HN -0.083 8.319 8.290 0.151 -0.022 0.511 27 S N 2.805 118.631 115.700 0.210 0.000 2.579 27 S HA 0.069 4.701 4.470 0.135 -0.082 0.275 27 S C -0.843 173.815 174.600 0.097 0.000 1.345 27 S CA 1.519 59.814 58.200 0.158 0.000 1.031 27 S CB 1.048 64.414 63.200 0.276 0.000 0.892 27 S HN -0.106 8.584 8.310 0.209 -0.254 0.529 28 T N 4.232 118.721 114.554 -0.108 0.000 2.856 28 T HA 0.834 5.214 4.350 -0.264 -0.187 0.283 28 T C -1.688 172.793 174.700 -0.365 0.000 1.008 28 T CA -0.366 61.591 62.100 -0.239 0.000 0.997 28 T CB 2.297 71.023 68.868 -0.236 0.000 0.992 28 T HN 0.638 8.794 8.240 -0.141 0.000 0.454 29 F N 7.443 127.095 119.950 -0.497 0.000 2.507 29 F HA 0.725 5.081 4.527 -0.513 -0.136 0.328 29 F C -3.170 172.434 175.800 -0.327 0.000 1.136 29 F CA -3.120 54.580 58.000 -0.500 0.000 0.930 29 F CB 3.102 41.721 39.000 -0.635 0.000 1.166 29 F HN 0.824 8.961 8.300 -0.270 0.000 0.436 30 I N 8.280 128.759 120.570 -0.150 0.000 2.382 30 I HA 0.575 4.732 4.170 -0.321 -0.180 0.285 30 I C -1.654 174.352 176.117 -0.184 0.000 1.007 30 I CA -1.185 59.978 61.300 -0.229 0.000 1.142 30 I CB 1.293 39.197 38.000 -0.161 0.000 1.289 30 I HN 0.595 8.783 8.210 -0.036 0.000 0.453 31 V N 4.043 123.800 119.914 -0.261 0.000 3.001 31 V HA 0.903 5.110 4.120 -0.145 -0.175 0.314 31 V C -1.042 174.947 176.094 -0.174 0.000 1.099 31 V CA -3.064 59.117 62.300 -0.198 0.000 0.989 31 V CB 3.113 34.799 31.823 -0.229 0.000 1.040 31 V HN 0.639 8.633 8.190 -0.326 0.000 0.434 32 T N 3.575 118.043 114.554 -0.144 0.000 2.841 32 T HA 0.231 4.502 4.350 -0.132 0.000 0.285 32 T C -1.971 172.652 174.700 -0.128 0.000 0.991 32 T CA -0.562 61.466 62.100 -0.121 0.000 0.966 32 T CB 2.044 70.864 68.868 -0.080 0.000 0.962 32 T HN 0.400 8.561 8.240 -0.131 0.000 0.438 33 A N 7.124 129.845 122.820 -0.166 0.000 2.304 33 A HA 0.863 5.281 4.320 -0.138 -0.181 0.323 33 A C -1.121 176.464 177.584 0.001 0.000 1.195 33 A CA -2.159 49.756 52.037 -0.203 0.000 0.826 33 A CB 2.102 20.750 19.000 -0.587 0.000 1.184 33 A HN 0.262 8.312 8.150 -0.166 0.000 0.496 34 G N 0.230 109.123 108.800 0.154 0.000 2.412 34 G HA2 0.289 4.289 3.960 0.066 0.000 0.318 34 G HA3 0.289 4.307 3.960 0.096 0.000 0.318 34 G C 0.167 175.179 174.900 0.187 0.000 1.146 34 G CA -1.365 43.808 45.100 0.123 0.000 0.882 34 G HN 0.541 8.870 8.290 0.248 0.109 0.501 35 A N 1.766 124.649 122.820 0.105 0.000 2.042 35 A HA -0.286 4.104 4.320 0.116 0.000 0.222 35 A C 0.182 177.783 177.584 0.030 0.000 1.167 35 A CA 2.575 54.661 52.037 0.081 0.000 0.649 35 A CB -0.384 18.639 19.000 0.040 0.000 0.809 35 A HN 0.604 8.795 8.150 0.068 0.000 0.457 36 D N -3.313 117.092 120.400 0.009 0.000 2.491 36 D HA 0.021 4.614 4.640 -0.079 0.000 0.228 36 D C -0.716 175.503 176.300 -0.136 0.000 1.183 36 D CA -0.760 53.205 54.000 -0.058 0.000 0.827 36 D CB 0.004 40.787 40.800 -0.028 0.000 0.989 36 D HN -0.359 7.986 8.370 0.038 0.048 0.494 37 G N -2.206 106.435 108.800 -0.265 0.000 2.157 37 G HA2 -0.425 2.680 3.960 -1.425 0.000 0.248 37 G HA3 -0.425 3.307 3.960 -0.380 0.000 0.248 37 G C -1.677 173.215 174.900 -0.013 0.000 0.979 37 G CA 0.305 45.117 45.100 -0.479 0.000 0.650 37 G HN -0.211 7.901 8.290 -0.187 0.066 0.529 38 A N -0.851 122.060 122.820 0.151 0.000 2.293 38 A HA 0.405 4.801 4.320 0.126 0.000 0.302 38 A C -1.973 175.741 177.584 0.217 0.000 1.119 38 A CA -1.426 50.704 52.037 0.155 0.000 0.823 38 A CB 2.493 21.540 19.000 0.079 0.000 1.097 38 A HN -0.774 7.461 8.150 0.141 0.000 0.491 39 L N 2.430 123.734 121.223 0.134 0.000 2.376 39 L HA 0.963 5.489 4.340 -0.013 -0.194 0.275 39 L C -0.954 175.913 176.870 -0.006 0.000 0.987 39 L CA -0.892 53.970 54.840 0.036 0.000 0.828 39 L CB 4.097 46.187 42.059 0.051 0.000 1.249 39 L HN -0.198 8.102 8.230 0.116 0.000 0.409 40 T N 1.228 115.755 114.554 -0.045 0.000 2.916 40 T HA 0.748 5.228 4.350 -0.036 -0.152 0.305 40 T C -0.982 173.675 174.700 -0.071 0.000 1.119 40 T CA -2.098 59.976 62.100 -0.044 0.000 1.008 40 T CB 3.287 72.141 68.868 -0.023 0.000 1.129 40 T HN 0.436 8.637 8.240 -0.064 0.000 0.480 41 G N 0.217 108.979 108.800 -0.063 0.000 2.360 41 G HA2 0.284 4.210 3.960 -0.058 0.000 0.276 41 G HA3 0.284 4.413 3.960 -0.081 -0.218 0.276 41 G C -2.604 172.278 174.900 -0.031 0.000 1.256 41 G CA 0.957 46.020 45.100 -0.062 0.000 0.890 41 G HN -0.316 7.946 8.290 -0.048 0.000 0.486 42 T N -2.150 112.396 114.554 -0.013 0.000 2.896 42 T HA 0.847 5.369 4.350 0.060 -0.136 0.297 42 T C -2.651 172.111 174.700 0.102 0.000 1.108 42 T CA -1.984 60.143 62.100 0.045 0.000 1.004 42 T CB 3.643 72.526 68.868 0.026 0.000 1.159 42 T HN 0.106 8.327 8.240 -0.031 0.000 0.499 43 Y N 1.488 121.827 120.300 0.065 0.000 2.376 43 Y HA 0.523 5.295 4.550 0.108 -0.158 0.340 43 Y C -2.536 173.545 175.900 0.302 0.000 0.965 43 Y CA -1.636 56.548 58.100 0.141 0.000 1.078 43 Y CB 4.298 42.814 38.460 0.092 0.000 1.193 43 Y HN 0.824 9.163 8.280 0.281 0.109 0.452 44 E N 8.593 128.877 120.200 0.140 0.000 2.185 44 E HA 0.617 5.438 4.350 0.446 -0.203 0.261 44 E C -1.804 174.960 176.600 0.273 0.000 0.879 44 E CA -1.778 54.780 56.400 0.264 0.000 0.756 44 E CB 3.773 33.533 29.700 0.099 0.000 1.152 44 E HN 0.782 8.980 8.360 -0.269 0.000 0.416 45 S N 6.532 122.534 115.700 0.503 0.000 2.693 45 S HA 0.433 5.165 4.470 0.436 0.000 0.276 45 S C -0.459 174.268 174.600 0.212 0.000 1.192 45 S CA -1.533 56.910 58.200 0.405 0.000 0.994 45 S CB 1.294 64.669 63.200 0.292 0.000 1.012 45 S HN 0.245 8.934 8.310 0.632 0.000 0.550 46 A N 1.914 124.827 122.820 0.155 0.000 2.259 46 A HA 0.361 4.737 4.320 0.093 0.000 0.213 46 A C -0.679 176.926 177.584 0.036 0.000 1.209 46 A CA 0.393 52.486 52.037 0.094 0.000 0.910 46 A CB 1.196 20.256 19.000 0.099 0.000 0.946 46 A HN 0.038 8.298 8.150 0.183 0.000 0.497 47 V N -4.327 115.580 119.914 -0.011 0.000 3.102 47 V HA 0.302 4.390 4.120 -0.055 0.000 0.312 47 V C -0.111 175.862 176.094 -0.203 0.000 1.135 47 V CA -1.303 60.945 62.300 -0.086 0.000 1.022 47 V CB 2.881 34.651 31.823 -0.088 0.000 1.056 47 V HN -0.547 7.645 8.190 0.004 0.000 0.436 48 G N 2.020 110.703 108.800 -0.196 0.000 2.587 48 G HA2 -0.193 3.625 3.960 -0.238 0.000 0.212 48 G HA3 -0.193 3.495 3.960 -0.454 0.000 0.212 48 G C -0.728 174.060 174.900 -0.187 0.000 1.327 48 G CA -0.408 44.527 45.100 -0.276 0.000 0.898 48 G HN 0.191 8.400 8.290 -0.134 0.000 0.551 49 N N 3.404 121.977 118.700 -0.212 0.000 3.229 49 N HA 0.066 4.784 4.740 -0.036 0.000 0.275 49 N C -1.749 173.735 175.510 -0.043 0.000 1.225 49 N CA -1.278 51.722 53.050 -0.084 0.000 1.119 49 N CB -1.402 37.046 38.487 -0.065 0.000 1.392 49 N HN 0.203 8.391 8.380 -0.320 0.000 0.520 50 A N 0.428 123.250 122.820 0.005 0.000 2.365 50 A HA 0.399 4.961 4.320 0.403 0.000 0.318 50 A C -1.768 175.987 177.584 0.285 0.000 1.091 50 A CA -1.171 50.998 52.037 0.220 0.000 0.763 50 A CB 2.552 21.610 19.000 0.098 0.000 1.248 50 A HN -0.542 7.541 8.150 -0.021 0.054 0.442 51 E N 4.969 125.420 120.200 0.419 0.000 2.646 51 E HA 0.165 4.603 4.350 0.147 0.000 0.336 51 E C -1.504 175.174 176.600 0.129 0.000 1.027 51 E CA 0.206 56.730 56.400 0.206 0.000 0.765 51 E CB 1.392 31.185 29.700 0.156 0.000 1.545 51 E HN 0.672 9.469 8.360 0.728 0.000 0.382 52 S N 1.114 116.870 115.700 0.093 0.000 4.137 52 S HA -0.271 4.199 4.470 -0.001 0.000 0.638 52 S C -1.678 172.915 174.600 -0.011 0.000 1.326 52 S CA 0.458 58.654 58.200 -0.007 0.000 1.554 52 S CB 0.235 63.422 63.200 -0.021 0.000 0.328 52 S HN 0.181 8.584 8.310 0.154 0.000 1.695 53 R N 1.742 122.184 120.500 -0.096 0.000 2.500 53 R HA 0.526 5.162 4.340 0.156 -0.203 0.277 53 R C -0.810 175.288 176.300 -0.338 0.000 1.026 53 R CA -1.005 55.074 56.100 -0.035 0.000 1.058 53 R CB 1.046 31.349 30.300 0.005 0.000 1.078 53 R HN 0.090 8.319 8.270 -0.068 0.000 0.509 54 Y N -2.074 118.313 120.300 0.145 0.000 2.545 54 Y HA 0.188 4.769 4.550 0.052 0.000 0.348 54 Y C -0.806 175.102 175.900 0.012 0.000 1.002 54 Y CA -1.123 57.012 58.100 0.057 0.000 1.039 54 Y CB 3.459 41.901 38.460 -0.030 0.000 1.271 54 Y HN 0.361 8.827 8.280 0.310 0.000 0.467 55 V N 1.275 121.257 119.914 0.113 0.000 2.607 55 V HA 0.059 4.324 4.120 0.039 -0.122 0.289 55 V C -0.657 175.450 176.094 0.021 0.000 1.053 55 V CA 0.759 63.086 62.300 0.044 0.000 0.996 55 V CB 0.535 32.368 31.823 0.017 0.000 0.995 55 V HN 0.703 8.967 8.190 0.122 0.000 0.476 56 L N 1.583 122.810 121.223 0.006 0.000 2.354 56 L HA 1.074 5.587 4.340 0.013 -0.166 0.264 56 L C -1.435 175.434 176.870 -0.002 0.000 1.008 56 L CA -1.622 53.218 54.840 0.001 0.000 0.819 56 L CB 4.288 46.316 42.059 -0.051 0.000 1.339 56 L HN 0.138 8.368 8.230 0.001 0.000 0.420 57 T N 0.725 115.305 114.554 0.044 0.000 2.956 57 T HA 0.672 5.207 4.350 0.018 -0.175 0.312 57 T C -1.414 173.352 174.700 0.110 0.000 1.151 57 T CA -1.269 60.858 62.100 0.045 0.000 1.024 57 T CB 2.262 71.149 68.868 0.031 0.000 1.140 57 T HN -0.125 8.169 8.240 0.091 0.000 0.473 58 G N 2.920 111.788 108.800 0.113 0.000 2.650 58 G HA2 0.683 4.739 3.960 0.159 0.000 0.310 58 G HA3 0.683 4.947 3.960 0.255 -0.151 0.310 58 G C -2.735 172.255 174.900 0.150 0.000 1.270 58 G CA 0.500 45.704 45.100 0.173 0.000 0.810 58 G HN 0.482 8.819 8.290 0.078 0.000 0.493 59 R N -3.302 117.306 120.500 0.181 0.000 2.739 59 R HA 1.121 5.777 4.340 0.184 -0.206 0.271 59 R C -1.771 174.678 176.300 0.248 0.000 1.010 59 R CA -2.018 54.184 56.100 0.170 0.000 0.897 59 R CB 4.904 35.254 30.300 0.084 0.000 1.236 59 R HN -0.250 8.146 8.270 0.209 0.000 0.466 60 Y N -2.930 117.397 120.300 0.046 0.000 2.644 60 Y HA 0.602 5.316 4.550 0.072 -0.120 0.338 60 Y C -2.055 173.869 175.900 0.040 0.000 1.119 60 Y CA -2.694 55.436 58.100 0.051 0.000 1.060 60 Y CB 2.305 40.783 38.460 0.030 0.000 1.294 60 Y HN 0.281 8.580 8.280 0.031 0.000 0.472 61 D N 0.233 120.648 120.400 0.025 0.000 2.365 61 D HA 0.181 4.736 4.640 -0.142 0.000 0.237 61 D C 0.138 176.326 176.300 -0.186 0.000 1.190 61 D CA -1.126 52.824 54.000 -0.082 0.000 0.867 61 D CB 0.876 41.701 40.800 0.043 0.000 1.050 61 D HN -0.068 8.439 8.370 0.228 0.000 0.491 62 S N 4.462 119.915 115.700 -0.412 0.000 2.453 62 S HA -0.238 4.073 4.470 -0.265 0.000 0.231 62 S C -0.057 174.514 174.600 -0.047 0.000 1.005 62 S CA 1.944 59.956 58.200 -0.313 0.000 0.949 62 S CB 0.248 63.231 63.200 -0.361 0.000 0.774 62 S HN 0.046 8.111 8.310 -0.408 0.000 0.510 63 A N 2.388 125.184 122.820 -0.041 0.000 3.047 63 A HA 0.448 4.784 4.320 0.026 0.000 0.337 63 A C -2.901 174.702 177.584 0.031 0.000 1.143 63 A CA -3.127 48.915 52.037 0.007 0.000 0.905 63 A CB 0.096 19.092 19.000 -0.008 0.000 1.088 63 A HN -0.583 7.631 8.150 -0.078 -0.111 0.488 64 P HA -0.036 4.636 4.420 0.073 -0.208 0.271 64 P C -1.251 176.086 177.300 0.062 0.000 1.233 64 P CA -0.380 62.768 63.100 0.081 0.000 0.789 64 P CB 1.176 32.951 31.700 0.125 0.000 0.951 65 A N -1.550 121.305 122.820 0.057 0.000 2.386 65 A HA 0.058 4.400 4.320 0.038 0.000 0.248 65 A C 0.657 178.270 177.584 0.048 0.000 1.082 65 A CA -0.030 52.034 52.037 0.045 0.000 0.789 65 A CB 1.263 20.287 19.000 0.040 0.000 1.025 65 A HN 0.157 8.344 8.150 0.063 0.000 0.490 66 T N -2.325 112.253 114.554 0.039 0.000 3.419 66 T HA 0.046 4.423 4.350 0.045 0.000 0.228 66 T C -1.556 173.164 174.700 0.034 0.000 0.939 66 T CA -1.380 60.743 62.100 0.038 0.000 0.992 66 T CB -1.650 67.237 68.868 0.032 0.000 1.186 66 T HN -0.027 8.352 8.240 0.034 -0.119 0.612 67 D N -0.992 119.430 120.400 0.037 0.000 2.714 67 D HA 0.080 4.660 4.640 0.028 0.077 0.278 67 D C -0.730 175.590 176.300 0.035 0.000 1.102 67 D CA -1.583 52.436 54.000 0.031 0.000 1.108 67 D CB 1.695 42.511 40.800 0.028 0.000 1.444 67 D HN -0.393 9.659 8.370 0.042 -1.657 0.568 68 G N -2.418 106.400 108.800 0.030 0.000 3.008 68 G HA2 -0.089 3.891 3.960 0.033 0.000 0.272 68 G HA3 -0.089 3.886 3.960 0.025 0.000 0.272 68 G C -0.977 173.943 174.900 0.032 0.000 0.764 68 G CA 0.332 45.450 45.100 0.030 0.000 2.029 68 G HN 0.050 8.380 8.290 0.026 -0.024 0.587 69 S N 2.196 117.921 115.700 0.041 0.000 2.677 69 S HA 0.257 4.750 4.470 0.038 0.000 0.304 69 S C -0.384 174.251 174.600 0.059 0.000 1.108 69 S CA -2.038 56.190 58.200 0.046 0.000 0.944 69 S CB 3.406 66.636 63.200 0.049 0.000 1.127 69 S HN -0.301 7.992 8.310 0.047 0.046 0.511 70 G N -0.436 108.402 108.800 0.064 0.000 2.511 70 G HA2 0.335 4.366 3.960 0.074 0.000 0.316 70 G HA3 0.335 4.352 3.960 0.067 -0.018 0.316 70 G C -1.051 173.932 174.900 0.139 0.000 1.210 70 G CA -0.935 44.216 45.100 0.085 0.000 0.969 70 G HN -0.041 8.284 8.290 0.058 0.000 0.492 71 T N 3.636 118.319 114.554 0.215 0.000 2.743 71 T HA 0.123 4.587 4.350 0.190 0.000 0.292 71 T C -0.839 173.997 174.700 0.227 0.000 0.972 71 T CA 0.301 62.547 62.100 0.243 0.000 0.967 71 T CB 0.817 69.889 68.868 0.340 0.000 0.926 71 T HN 0.424 8.707 8.240 0.256 0.111 0.459 72 A N 8.892 131.819 122.820 0.177 0.000 2.425 72 A HA 0.577 5.183 4.320 0.161 -0.190 0.249 72 A C -1.350 176.354 177.584 0.200 0.000 1.084 72 A CA -0.253 51.881 52.037 0.162 0.000 0.781 72 A CB 1.167 20.234 19.000 0.111 0.000 1.019 72 A HN 0.779 9.019 8.150 0.151 0.000 0.490 73 L N -4.605 116.739 121.223 0.202 0.000 2.892 73 L HA 1.038 5.638 4.340 0.228 -0.123 0.269 73 L C -1.506 175.495 176.870 0.218 0.000 1.058 73 L CA -1.281 53.703 54.840 0.241 0.000 0.923 73 L CB 2.963 45.196 42.059 0.290 0.000 1.518 73 L HN 0.008 8.347 8.230 0.181 0.000 0.402 74 G N -3.554 105.398 108.800 0.253 0.000 2.646 74 G HA2 0.727 4.873 3.960 0.086 0.000 0.291 74 G HA3 0.727 4.751 3.960 0.107 0.000 0.291 74 G C -3.352 171.732 174.900 0.307 0.000 1.445 74 G CA 0.763 45.969 45.100 0.176 0.000 0.814 74 G HN -0.200 8.262 8.290 0.287 0.000 0.495 75 W N -4.126 117.210 121.300 0.058 0.000 3.059 75 W HA 0.605 5.358 4.660 0.002 -0.091 0.329 75 W C -3.171 173.397 176.519 0.082 0.000 1.246 75 W CA -1.187 56.159 57.345 0.002 0.000 1.190 75 W CB 1.851 31.217 29.460 -0.155 0.000 1.423 75 W HN 0.564 8.679 8.180 -0.108 0.000 0.571 76 T N 1.239 115.927 114.554 0.224 0.000 2.907 76 T HA 0.978 5.589 4.350 0.060 -0.224 0.292 76 T C -1.405 173.342 174.700 0.080 0.000 1.043 76 T CA -0.961 61.196 62.100 0.095 0.000 1.003 76 T CB 3.382 72.263 68.868 0.023 0.000 1.084 76 T HN 0.415 8.814 8.240 0.265 0.000 0.483 77 V N 2.315 122.169 119.914 -0.100 0.000 2.711 77 V HA 0.328 4.451 4.120 -0.243 -0.149 0.304 77 V C -2.456 173.260 176.094 -0.630 0.000 1.097 77 V CA -1.482 60.585 62.300 -0.390 0.000 0.906 77 V CB 3.941 35.335 31.823 -0.716 0.000 1.015 77 V HN 0.260 8.368 8.190 -0.137 0.000 0.427 78 A N 5.372 127.905 122.820 -0.478 0.000 2.304 78 A HA 0.543 4.786 4.320 -0.331 -0.122 0.323 78 A C -0.342 176.970 177.584 -0.454 0.000 1.195 78 A CA -1.705 50.128 52.037 -0.340 0.000 0.826 78 A CB 2.199 21.125 19.000 -0.123 0.000 1.184 78 A HN 0.671 8.622 8.150 -0.331 0.000 0.496 79 W N 4.935 126.147 121.300 -0.147 0.000 1.518 79 W HA -0.059 4.223 4.660 -0.630 0.000 0.426 79 W C -1.516 174.986 176.519 -0.029 0.000 0.675 79 W CA -1.275 55.891 57.345 -0.297 0.000 1.936 79 W CB -0.609 28.636 29.460 -0.357 0.000 1.749 79 W HN 0.802 8.900 8.180 -0.137 0.000 0.247 80 K N 2.040 122.598 120.400 0.263 0.000 2.541 80 K HA 0.698 5.357 4.320 0.213 -0.211 0.250 80 K C -1.771 174.983 176.600 0.257 0.000 0.950 80 K CA -1.088 55.330 56.287 0.219 0.000 0.805 80 K CB 2.964 35.505 32.500 0.068 0.000 1.166 80 K HN -0.242 8.075 8.250 0.222 0.066 0.430 81 N N 5.300 124.100 118.700 0.167 0.000 3.387 81 N HA 0.260 4.972 4.740 -0.047 0.000 0.322 81 N C -0.537 174.864 175.510 -0.181 0.000 1.588 81 N CA -1.086 51.933 53.050 -0.052 0.000 0.778 81 N CB 0.860 39.190 38.487 -0.262 0.000 1.883 81 N HN 0.877 9.363 8.380 0.175 0.000 0.628 82 N N -1.644 116.790 118.700 -0.443 0.000 2.453 82 N HA -0.035 4.496 4.740 -0.349 0.000 0.183 82 N C 0.162 175.269 175.510 -0.673 0.000 1.041 82 N CA 2.280 54.951 53.050 -0.632 0.000 0.900 82 N CB -0.333 37.611 38.487 -0.904 0.000 0.961 82 N HN 0.171 8.265 8.380 -0.477 0.000 0.443 83 Y N -2.731 117.561 120.300 -0.013 0.000 2.396 83 Y HA 0.036 4.592 4.550 0.009 0.000 0.292 83 Y C 0.123 176.049 175.900 0.044 0.000 1.128 83 Y CA 1.383 59.488 58.100 0.009 0.000 1.194 83 Y CB 1.143 39.600 38.460 -0.005 0.000 1.124 83 Y HN -0.141 8.041 8.280 -0.528 -0.219 0.543 84 R N -3.547 117.070 120.500 0.194 0.000 2.837 84 R HA 0.286 4.698 4.340 0.120 0.000 0.271 84 R C -2.727 173.650 176.300 0.129 0.000 0.993 84 R CA -1.432 54.770 56.100 0.171 0.000 0.931 84 R CB 3.974 34.417 30.300 0.240 0.000 1.206 84 R HN 0.383 9.156 8.270 0.187 -0.391 0.474 85 N N 0.502 119.214 118.700 0.019 0.000 2.581 85 N HA 0.342 5.193 4.740 -0.049 -0.141 0.279 85 N C -1.521 173.819 175.510 -0.284 0.000 1.124 85 N CA 0.147 53.107 53.050 -0.151 0.000 0.833 85 N CB 1.083 39.397 38.487 -0.290 0.000 1.338 85 N HN 0.331 8.718 8.380 0.012 0.000 0.533 86 A N 2.122 124.861 122.820 -0.135 0.000 2.379 86 A HA 0.169 4.459 4.320 -0.050 0.000 0.236 86 A C 0.533 178.109 177.584 -0.012 0.000 1.272 86 A CA -0.765 51.233 52.037 -0.066 0.000 0.886 86 A CB 0.637 19.629 19.000 -0.013 0.000 0.962 86 A HN 0.898 9.043 8.150 -0.007 0.000 0.504 87 H N -1.183 117.933 119.070 0.077 0.000 2.484 87 H HA -0.382 4.207 4.556 0.054 0.000 0.321 87 H C -1.903 173.458 175.328 0.054 0.000 1.065 87 H CA 1.173 57.252 56.048 0.053 0.000 1.118 87 H CB -2.886 26.893 29.762 0.027 0.000 1.511 87 H HN -0.055 8.063 8.280 -0.571 -0.181 0.403 88 S N -5.202 110.593 115.700 0.158 0.000 2.638 88 S HA 0.860 5.506 4.470 0.112 -0.109 0.274 88 S C -2.363 172.364 174.600 0.212 0.000 1.157 88 S CA -0.860 57.439 58.200 0.166 0.000 0.826 88 S CB 4.262 67.546 63.200 0.140 0.000 1.139 88 S HN -0.465 7.930 8.310 0.146 0.002 0.474 89 A N -1.602 121.306 122.820 0.146 0.000 2.520 89 A HA 0.789 5.157 4.320 -0.159 -0.144 0.298 89 A C -2.306 175.281 177.584 0.005 0.000 1.051 89 A CA -0.374 51.660 52.037 -0.005 0.000 0.690 89 A CB 3.811 22.778 19.000 -0.055 0.000 1.281 89 A HN 0.631 8.846 8.150 0.108 0.000 0.402 90 T N 3.904 118.395 114.554 -0.105 0.000 2.856 90 T HA 1.053 5.491 4.350 -0.188 -0.201 0.283 90 T C -0.742 173.751 174.700 -0.345 0.000 1.008 90 T CA -1.122 60.821 62.100 -0.263 0.000 0.997 90 T CB 2.483 71.078 68.868 -0.456 0.000 0.992 90 T HN 0.771 8.842 8.240 -0.281 0.000 0.454 91 T N 1.515 115.862 114.554 -0.345 0.000 2.876 91 T HA 0.841 5.338 4.350 -0.093 -0.203 0.289 91 T C -1.531 172.998 174.700 -0.285 0.000 1.014 91 T CA -2.100 59.883 62.100 -0.195 0.000 0.986 91 T CB 2.888 71.697 68.868 -0.099 0.000 1.021 91 T HN 0.635 8.685 8.240 -0.318 0.000 0.458 92 W N 3.444 124.408 121.300 -0.559 0.000 2.632 92 W HA 0.509 5.202 4.660 -0.213 -0.161 0.328 92 W C -1.543 174.709 176.519 -0.446 0.000 1.044 92 W CA -1.447 55.557 57.345 -0.568 0.000 1.225 92 W CB 4.082 32.800 29.460 -1.237 0.000 1.396 92 W HN 0.827 8.901 8.180 -0.176 0.000 0.499 93 S N 1.048 116.743 115.700 -0.009 0.000 2.532 93 S HA 0.799 5.428 4.470 0.027 -0.143 0.299 93 S C -1.152 173.493 174.600 0.075 0.000 1.105 93 S CA -1.392 56.821 58.200 0.023 0.000 1.018 93 S CB 1.765 64.972 63.200 0.012 0.000 1.021 93 S HN 0.353 8.687 8.310 0.040 0.000 0.483 94 G N 2.913 111.779 108.800 0.110 0.000 2.435 94 G HA2 0.499 4.528 3.960 0.115 0.000 0.296 94 G HA3 0.499 4.744 3.960 0.179 -0.179 0.296 94 G C -3.536 171.459 174.900 0.159 0.000 1.240 94 G CA 0.964 46.149 45.100 0.142 0.000 0.872 94 G HN 0.300 8.660 8.290 0.117 0.000 0.480 95 Q N -3.379 116.523 119.800 0.171 0.000 2.377 95 Q HA 0.759 5.396 4.340 0.204 -0.175 0.279 95 Q C -2.509 173.605 176.000 0.190 0.000 1.049 95 Q CA -1.871 54.038 55.803 0.177 0.000 0.825 95 Q CB 4.338 33.154 28.738 0.130 0.000 1.401 95 Q HN 0.090 8.465 8.270 0.174 0.000 0.404 96 Y N 3.452 123.805 120.300 0.088 0.000 2.323 96 Y HA 0.657 5.399 4.550 0.038 -0.169 0.331 96 Y C -2.340 173.613 175.900 0.089 0.000 1.092 96 Y CA -1.253 56.883 58.100 0.059 0.000 1.150 96 Y CB 2.352 40.823 38.460 0.019 0.000 1.200 96 Y HN 0.737 9.092 8.280 0.315 0.114 0.472 97 V N 6.630 126.106 119.914 -0.729 0.000 2.686 97 V HA 0.270 4.176 4.120 -0.356 0.000 0.306 97 V C -1.575 174.082 176.094 -0.730 0.000 1.065 97 V CA -1.283 60.715 62.300 -0.503 0.000 0.894 97 V CB 4.191 35.906 31.823 -0.180 0.000 1.004 97 V HN 0.310 8.059 8.190 -0.735 0.000 0.424 98 G N 3.957 112.485 108.800 -0.453 0.000 2.753 98 G HA2 0.500 4.348 3.960 -0.185 0.000 0.285 98 G HA3 0.500 4.455 3.960 -0.008 0.000 0.285 98 G C -0.850 174.023 174.900 -0.044 0.000 1.344 98 G CA -1.738 43.254 45.100 -0.180 0.000 1.050 98 G HN 0.361 8.487 8.290 -0.274 0.000 0.532 99 G N -2.640 106.173 108.800 0.021 0.000 2.334 99 G HA2 -0.191 3.786 3.960 0.028 0.000 0.315 99 G HA3 -0.191 3.777 3.960 0.013 0.000 0.315 99 G C -1.184 173.734 174.900 0.029 0.000 1.284 99 G CA -0.574 44.539 45.100 0.023 0.000 0.985 99 G HN -0.189 8.135 8.290 0.057 0.000 0.504 100 A N -1.175 121.659 122.820 0.023 0.000 1.948 100 A HA -0.137 4.192 4.320 0.016 0.000 0.220 100 A C -0.008 177.589 177.584 0.022 0.000 1.177 100 A CA 1.854 53.903 52.037 0.019 0.000 0.636 100 A CB 0.227 19.236 19.000 0.015 0.000 0.815 100 A HN 0.161 8.323 8.150 0.020 0.000 0.449 101 E N -1.928 118.290 120.200 0.032 0.000 2.186 101 E HA 0.077 4.454 4.350 0.044 0.000 0.255 101 E C -2.214 174.428 176.600 0.070 0.000 0.881 101 E CA -1.056 55.373 56.400 0.049 0.000 0.752 101 E CB -0.294 29.435 29.700 0.050 0.000 1.176 101 E HN -0.352 8.012 8.360 0.028 0.013 0.421 102 A N 4.822 127.708 122.820 0.109 0.000 2.303 102 A HA 0.597 5.056 4.320 0.037 -0.117 0.317 102 A C -0.998 176.799 177.584 0.356 0.000 1.149 102 A CA -1.009 51.126 52.037 0.164 0.000 0.822 102 A CB 1.863 21.034 19.000 0.285 0.000 1.131 102 A HN 0.425 8.629 8.150 0.089 0.000 0.493 103 R N -2.737 117.926 120.500 0.271 0.000 2.781 103 R HA 0.924 5.795 4.340 0.651 -0.141 0.269 103 R C -2.059 174.326 176.300 0.140 0.000 1.025 103 R CA -1.723 54.585 56.100 0.346 0.000 0.914 103 R CB 3.552 33.994 30.300 0.237 0.000 1.236 103 R HN 0.372 8.662 8.270 0.032 0.000 0.465 104 I N -0.483 120.195 120.570 0.180 0.000 2.447 104 I HA 0.475 4.911 4.170 0.146 -0.178 0.287 104 I C -1.878 174.435 176.117 0.326 0.000 1.023 104 I CA -1.208 60.203 61.300 0.185 0.000 1.083 104 I CB 2.939 40.985 38.000 0.078 0.000 1.245 104 I HN 0.293 8.692 8.210 0.314 0.000 0.434 105 N N 9.298 128.149 118.700 0.251 0.000 2.425 105 N HA 0.503 5.399 4.740 0.260 0.000 0.268 105 N C -0.955 174.713 175.510 0.263 0.000 0.991 105 N CA -0.011 53.182 53.050 0.237 0.000 0.931 105 N CB 2.379 40.956 38.487 0.150 0.000 1.130 105 N HN 0.320 8.820 8.380 0.199 0.000 0.493 106 T N 0.221 114.970 114.554 0.325 0.000 2.887 106 T HA 0.747 5.374 4.350 0.223 -0.144 0.292 106 T C -1.361 173.500 174.700 0.269 0.000 1.087 106 T CA -2.346 59.944 62.100 0.317 0.000 1.009 106 T CB 3.411 72.566 68.868 0.479 0.000 1.203 106 T HN 0.798 9.247 8.240 0.349 0.000 0.518 107 Q N -0.030 119.869 119.800 0.164 0.000 2.356 107 Q HA 0.743 5.207 4.340 -0.052 -0.155 0.270 107 Q C -1.486 174.491 176.000 -0.038 0.000 1.058 107 Q CA -0.931 54.866 55.803 -0.009 0.000 0.802 107 Q CB 4.580 33.288 28.738 -0.051 0.000 1.303 107 Q HN 0.248 8.607 8.270 0.148 0.000 0.444 108 W N -0.685 120.502 121.300 -0.188 0.000 2.975 108 W HA 0.915 5.468 4.660 -0.397 -0.131 0.342 108 W C -2.914 173.411 176.519 -0.323 0.000 1.168 108 W CA -2.969 54.127 57.345 -0.416 0.000 1.141 108 W CB 3.333 32.254 29.460 -0.898 0.000 1.445 108 W HN 1.072 8.624 8.180 -0.849 0.118 0.560 109 L N -0.651 120.587 121.223 0.026 0.000 2.385 109 L HA 0.842 5.375 4.340 -0.026 -0.208 0.273 109 L C -1.811 175.103 176.870 0.073 0.000 0.990 109 L CA -1.337 53.511 54.840 0.012 0.000 0.821 109 L CB 3.241 45.265 42.059 -0.057 0.000 1.279 109 L HN 0.503 8.693 8.230 -0.066 0.000 0.412 110 L N 4.796 126.103 121.223 0.141 0.000 2.342 110 L HA 0.715 5.224 4.340 -0.007 -0.173 0.276 110 L C -1.864 175.019 176.870 0.023 0.000 0.997 110 L CA -1.496 53.380 54.840 0.060 0.000 0.838 110 L CB 3.048 45.153 42.059 0.076 0.000 1.224 110 L HN 0.719 9.038 8.230 0.148 0.000 0.416 111 T N 9.256 123.813 114.554 0.005 0.000 2.823 111 T HA 0.684 5.238 4.350 -0.024 -0.219 0.279 111 T C -0.632 174.071 174.700 0.005 0.000 0.998 111 T CA -0.909 61.185 62.100 -0.009 0.000 0.994 111 T CB 2.048 70.908 68.868 -0.014 0.000 0.960 111 T HN 0.439 8.683 8.240 0.006 0.000 0.448 112 S N 4.748 120.440 115.700 -0.013 0.000 2.621 112 S HA 0.520 5.148 4.470 0.040 -0.134 0.302 112 S C -0.310 174.290 174.600 -0.001 0.000 1.093 112 S CA -0.708 57.495 58.200 0.005 0.000 1.017 112 S CB 2.886 66.073 63.200 -0.023 0.000 1.077 112 S HN -0.027 8.260 8.310 -0.038 0.000 0.517 113 G N 2.017 110.831 108.800 0.024 0.000 2.338 113 G HA2 0.119 4.075 3.960 -0.006 0.000 0.295 113 G HA3 0.119 4.085 3.960 0.011 0.000 0.295 113 G C -0.726 174.154 174.900 -0.033 0.000 1.132 113 G CA -0.040 45.059 45.100 -0.001 0.000 0.922 113 G HN 0.089 8.418 8.290 0.065 0.000 0.427 114 T N 1.959 116.487 114.554 -0.043 0.000 2.883 114 T HA 0.198 4.514 4.350 -0.058 0.000 0.284 114 T C -0.472 174.205 174.700 -0.040 0.000 1.041 114 T CA -1.826 60.242 62.100 -0.055 0.000 1.007 114 T CB 2.442 71.260 68.868 -0.083 0.000 1.220 114 T HN -0.197 8.020 8.240 -0.038 0.000 0.552 115 T N -2.770 111.764 114.554 -0.033 0.000 2.874 115 T HA 0.097 4.437 4.350 -0.016 0.000 0.281 115 T C 1.157 175.857 174.700 0.000 0.000 0.994 115 T CA -1.244 60.847 62.100 -0.015 0.000 1.015 115 T CB 1.173 70.036 68.868 -0.009 0.000 1.028 115 T HN -0.124 8.093 8.240 -0.040 0.000 0.523 116 E N 1.999 122.207 120.200 0.014 0.000 2.085 116 E HA -0.400 3.967 4.350 0.027 0.000 0.194 116 E C 2.520 179.159 176.600 0.066 0.000 0.994 116 E CA 3.590 60.009 56.400 0.033 0.000 0.801 116 E CB -0.820 28.899 29.700 0.033 0.000 0.743 116 E HN 0.549 8.915 8.360 0.010 0.000 0.453 117 A N -0.847 122.012 122.820 0.065 0.000 2.009 117 A HA -0.239 4.154 4.320 0.122 0.000 0.222 117 A C 0.785 178.476 177.584 0.179 0.000 1.175 117 A CA 2.732 54.835 52.037 0.110 0.000 0.651 117 A CB -0.591 18.456 19.000 0.079 0.000 0.815 117 A HN 0.332 8.503 8.150 0.044 0.005 0.459 118 N N -4.539 114.203 118.700 0.070 0.000 2.234 118 N HA 0.112 4.826 4.740 -0.044 0.000 0.227 118 N C 0.804 176.197 175.510 -0.196 0.000 1.151 118 N CA -0.208 52.797 53.050 -0.074 0.000 0.865 118 N CB 0.799 39.214 38.487 -0.121 0.000 1.066 118 N HN -0.558 7.700 8.380 0.032 0.141 0.515 119 A N 2.103 124.901 122.820 -0.037 0.000 1.933 119 A HA -0.074 4.195 4.320 -0.084 0.000 0.218 119 A C 1.468 179.007 177.584 -0.074 0.000 1.175 119 A CA 3.054 55.062 52.037 -0.048 0.000 0.628 119 A CB -0.271 18.745 19.000 0.026 0.000 0.814 119 A HN 0.429 8.410 8.150 0.056 0.202 0.444 120 W N -4.748 116.547 121.300 -0.008 0.000 2.364 120 W HA -0.263 4.390 4.660 -0.011 0.000 0.281 120 W C -0.385 176.128 176.519 -0.011 0.000 1.219 120 W CA 1.057 58.396 57.345 -0.010 0.000 1.220 120 W CB -1.038 28.416 29.460 -0.010 0.000 1.127 120 W HN 0.224 8.547 8.180 0.258 0.012 0.556 121 K N -1.737 118.029 120.400 -1.056 0.000 2.699 121 K HA 0.381 4.306 4.320 -0.658 0.000 0.210 121 K C 0.181 176.478 176.600 -0.504 0.000 1.076 121 K CA -0.397 55.273 56.287 -1.028 0.000 1.109 121 K CB -0.201 31.173 32.500 -1.876 0.000 0.862 121 K HN -0.818 6.659 8.250 -1.217 0.044 0.470 122 S N -0.301 115.215 115.700 -0.307 0.000 2.501 122 S HA -0.028 4.323 4.470 -0.199 0.000 0.220 122 S C -0.842 173.687 174.600 -0.118 0.000 0.997 122 S CA 1.745 59.834 58.200 -0.185 0.000 0.919 122 S CB 1.190 64.316 63.200 -0.123 0.000 0.778 122 S HN -0.210 7.884 8.310 -0.259 0.062 0.523 123 T N 5.039 119.532 114.554 -0.103 0.000 2.770 123 T HA 0.511 5.071 4.350 -0.044 -0.237 0.283 123 T C -0.405 174.260 174.700 -0.058 0.000 0.988 123 T CA -0.036 62.027 62.100 -0.062 0.000 0.957 123 T CB 1.798 70.635 68.868 -0.050 0.000 0.930 123 T HN -0.657 7.512 8.240 -0.118 0.000 0.443 124 L N 6.804 128.016 121.223 -0.019 0.000 2.360 124 L HA 0.491 4.794 4.340 -0.062 0.000 0.271 124 L C -1.336 175.460 176.870 -0.122 0.000 1.057 124 L CA -0.699 54.130 54.840 -0.018 0.000 0.803 124 L CB 2.356 44.486 42.059 0.119 0.000 1.207 124 L HN 0.751 8.989 8.230 0.013 0.000 0.445 125 V N 0.657 120.369 119.914 -0.336 0.000 2.789 125 V HA 0.985 4.902 4.120 -0.704 -0.219 0.311 125 V C -1.478 173.988 176.094 -1.048 0.000 1.073 125 V CA -2.465 59.457 62.300 -0.629 0.000 0.921 125 V CB 3.659 35.275 31.823 -0.346 0.000 1.009 125 V HN 0.024 8.055 8.190 -0.266 0.000 0.426 126 G N 5.159 112.897 108.800 -1.771 0.000 2.682 126 G HA2 0.323 3.845 3.960 -0.729 0.000 0.303 126 G HA3 0.323 3.148 3.960 -1.891 0.000 0.303 126 G C -3.321 170.886 174.900 -1.155 0.000 1.341 126 G CA 0.090 44.270 45.100 -1.533 0.000 0.784 126 G HN 0.045 7.224 8.290 -1.851 0.000 0.497 127 H N -3.967 114.825 119.070 -0.464 0.000 2.961 127 H HA 0.693 5.301 4.556 -0.093 -0.107 0.371 127 H C -1.704 173.785 175.328 0.268 0.000 1.190 127 H CA -1.755 54.249 56.048 -0.074 0.000 1.138 127 H CB 3.671 33.392 29.762 -0.068 0.000 1.816 127 H HN 0.074 7.963 8.280 -0.651 0.000 0.551 128 D N -0.188 120.436 120.400 0.373 0.000 2.859 128 D HA 0.295 5.150 4.640 0.090 -0.161 0.223 128 D C -1.685 174.669 176.300 0.091 0.000 1.218 128 D CA 0.155 54.260 54.000 0.175 0.000 0.850 128 D CB 5.054 45.919 40.800 0.109 0.000 1.656 128 D HN 0.390 8.903 8.370 0.415 0.106 0.484 129 T N 4.303 118.833 114.554 -0.041 0.000 2.809 129 T HA 0.742 5.397 4.350 0.199 -0.186 0.284 129 T C -0.871 173.824 174.700 -0.008 0.000 0.992 129 T CA -0.367 61.780 62.100 0.079 0.000 0.957 129 T CB 1.465 70.413 68.868 0.133 0.000 0.942 129 T HN 0.759 9.341 8.240 -0.086 -0.394 0.439 130 F N 7.990 128.137 119.950 0.329 0.000 2.450 130 F HA 0.905 5.909 4.527 0.418 -0.225 0.332 130 F C -0.336 175.771 175.800 0.511 0.000 1.093 130 F CA -1.493 56.760 58.000 0.421 0.000 1.003 130 F CB 3.086 42.355 39.000 0.448 0.000 1.151 130 F HN 0.865 9.466 8.300 0.502 0.000 0.474 131 T N -2.299 112.693 114.554 0.730 0.000 2.865 131 T HA 0.618 5.539 4.350 0.708 -0.147 0.294 131 T C 0.176 175.135 174.700 0.432 0.000 1.119 131 T CA -1.917 60.528 62.100 0.575 0.000 1.007 131 T CB 3.234 72.292 68.868 0.317 0.000 1.225 131 T HN 0.821 9.468 8.240 0.680 0.000 0.515 132 K N 0.915 121.352 120.400 0.062 0.000 2.446 132 K HA 0.164 4.534 4.320 -0.145 -0.137 0.203 132 K C -1.370 175.254 176.600 0.041 0.000 1.027 132 K CA 0.315 56.508 56.287 -0.158 0.000 1.166 132 K CB 0.171 32.358 32.500 -0.521 0.000 0.869 132 K HN 0.423 8.704 8.250 0.052 0.000 0.504 133 V N 0.000 119.969 119.914 0.091 0.000 2.409 133 V HA 0.000 4.082 4.120 -0.063 0.000 0.244 133 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 133 V CB 0.000 31.825 31.823 0.003 0.000 1.184 133 V HN 0.000 8.179 8.190 0.158 0.106 0.556