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 2rto_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 4.638 4.320 0.530 0.000 0.244 13 A C 0.000 177.723 177.584 0.231 0.000 1.274 13 A CA 0.000 52.265 52.037 0.380 0.000 0.836 13 A CB 0.000 19.128 19.000 0.214 0.000 0.831 14 E N -1.684 118.604 120.200 0.145 0.000 8.397 14 E HA -0.342 4.055 4.350 0.079 0.000 0.427 14 E C 0.769 177.378 176.600 0.016 0.000 1.445 14 E CA 0.213 56.660 56.400 0.079 0.000 2.591 14 E CB -0.477 29.267 29.700 0.074 0.000 1.208 14 E HN 0.219 8.675 8.360 0.160 0.000 0.380 15 A N 0.039 122.859 122.820 0.000 0.000 1.969 15 A HA -0.344 3.937 4.320 -0.065 0.000 0.223 15 A C 1.634 179.163 177.584 -0.091 0.000 1.218 15 A CA 2.715 54.725 52.037 -0.046 0.000 0.667 15 A CB -0.080 18.906 19.000 -0.024 0.000 0.826 15 A HN 0.346 8.508 8.150 0.020 0.000 0.472 16 G N -2.083 106.698 108.800 -0.031 0.000 3.740 16 G HA2 -0.487 3.504 3.960 0.051 0.000 0.234 16 G HA3 -0.487 3.554 3.960 0.134 0.000 0.234 16 G C 1.217 176.094 174.900 -0.039 0.000 1.047 16 G CA 2.272 47.386 45.100 0.022 0.000 0.686 16 G HN 0.711 8.975 8.290 0.011 0.033 0.745 17 I N 1.139 121.515 120.570 -0.323 0.000 2.252 17 I HA -0.325 3.789 4.170 -0.094 0.000 0.245 17 I C 0.213 176.396 176.117 0.111 0.000 1.102 17 I CA 1.992 63.134 61.300 -0.264 0.000 1.385 17 I CB -0.100 37.524 38.000 -0.627 0.000 1.064 17 I HN -0.862 7.047 8.210 -0.401 0.059 0.414 18 T N 1.542 116.071 114.554 -0.042 0.000 2.933 18 T HA -0.399 4.121 4.350 0.000 -0.170 0.306 18 T C -0.152 174.544 174.700 -0.007 0.000 1.045 18 T CA 3.403 65.496 62.100 -0.012 0.000 1.143 18 T CB -0.083 68.745 68.868 -0.067 0.000 1.003 18 T HN -0.243 7.913 8.240 -0.140 0.000 0.540 19 G N 4.214 112.999 108.800 -0.025 0.000 2.340 19 G HA2 -0.181 3.675 3.960 -0.173 0.000 0.282 19 G HA3 -0.181 3.578 3.960 -0.335 0.000 0.282 19 G C -3.148 171.595 174.900 -0.262 0.000 1.312 19 G CA -0.056 44.924 45.100 -0.201 0.000 0.942 19 G HN -0.002 8.297 8.290 0.015 0.000 0.495 20 T N 2.300 116.574 114.554 -0.466 0.000 2.771 20 T HA 0.771 5.040 4.350 -0.435 -0.180 0.281 20 T C -0.986 173.195 174.700 -0.866 0.000 0.982 20 T CA 0.705 62.483 62.100 -0.536 0.000 0.978 20 T CB 1.030 69.659 68.868 -0.399 0.000 0.930 20 T HN 0.030 7.987 8.240 -0.473 0.000 0.447 21 W N 5.497 126.172 121.300 -1.040 0.000 2.706 21 W HA 0.380 4.884 4.660 -0.478 -0.130 0.346 21 W C -1.641 174.285 176.519 -0.989 0.000 1.071 21 W CA -1.333 55.442 57.345 -0.951 0.000 1.206 21 W CB 3.301 31.919 29.460 -1.404 0.000 1.413 21 W HN 0.876 8.507 8.180 -0.916 0.000 0.542 22 Y N -2.848 117.515 120.300 0.104 0.000 2.545 22 Y HA 0.943 5.790 4.550 0.115 -0.228 0.348 22 Y C -0.863 175.217 175.900 0.300 0.000 1.002 22 Y CA -1.953 56.238 58.100 0.152 0.000 1.039 22 Y CB 3.894 42.385 38.460 0.051 0.000 1.271 22 Y HN 0.992 9.483 8.280 0.351 0.000 0.467 23 N N -0.249 118.678 118.700 0.378 0.000 2.890 23 N HA 0.639 5.553 4.740 0.014 -0.166 0.317 23 N C 1.854 177.421 175.510 0.095 0.000 1.355 23 N CA -2.522 50.574 53.050 0.077 0.000 0.803 23 N CB 2.308 40.671 38.487 -0.206 0.000 1.465 23 N HN -0.206 8.398 8.380 0.373 0.000 0.591 24 Q N 0.077 119.895 119.800 0.030 0.000 2.050 24 Q HA -0.247 4.125 4.340 0.053 0.000 0.202 24 Q C 0.856 176.895 176.000 0.066 0.000 0.980 24 Q CA 2.493 58.326 55.803 0.049 0.000 0.840 24 Q CB -0.823 27.937 28.738 0.037 0.000 0.898 24 Q HN 0.417 8.664 8.270 -0.038 0.000 0.424 25 L N -3.419 117.852 121.223 0.079 0.000 2.353 25 L HA -0.148 4.234 4.340 0.069 0.000 0.220 25 L C 1.060 177.991 176.870 0.103 0.000 1.133 25 L CA 0.660 55.554 54.840 0.090 0.000 0.798 25 L CB -0.118 42.008 42.059 0.112 0.000 0.922 25 L HN -0.304 7.995 8.230 0.074 -0.025 0.445 26 G N -3.357 105.520 108.800 0.130 0.000 2.218 26 G HA2 -0.297 3.747 3.960 0.141 0.000 0.216 26 G HA3 -0.297 3.727 3.960 0.108 0.000 0.216 26 G C 0.010 175.023 174.900 0.189 0.000 0.994 26 G CA -0.544 44.641 45.100 0.142 0.000 0.637 26 G HN -0.111 8.272 8.290 0.140 -0.010 0.505 27 S N 2.974 118.790 115.700 0.193 0.000 2.558 27 S HA -0.202 4.428 4.470 0.106 -0.096 0.287 27 S C -0.803 173.822 174.600 0.041 0.000 1.321 27 S CA 2.036 60.320 58.200 0.140 0.000 1.048 27 S CB 0.560 63.926 63.200 0.276 0.000 0.844 27 S HN -0.359 8.163 8.310 0.201 -0.092 0.512 28 T N 3.185 117.622 114.554 -0.194 0.000 2.906 28 T HA 1.055 5.330 4.350 -0.472 -0.209 0.295 28 T C -1.614 172.806 174.700 -0.466 0.000 1.061 28 T CA -0.704 61.170 62.100 -0.377 0.000 1.000 28 T CB 3.355 72.042 68.868 -0.301 0.000 1.103 28 T HN 0.458 8.556 8.240 -0.237 0.000 0.486 29 F N 0.946 120.573 119.950 -0.537 0.000 2.641 29 F HA 0.962 5.401 4.527 -0.418 -0.163 0.308 29 F C -3.312 172.283 175.800 -0.340 0.000 1.105 29 F CA -2.337 55.366 58.000 -0.495 0.000 0.964 29 F CB 3.360 41.960 39.000 -0.666 0.000 1.294 29 F HN 0.504 8.346 8.300 -0.763 0.000 0.442 30 I N 1.219 121.799 120.570 0.016 0.000 2.418 30 I HA 0.660 4.955 4.170 -0.094 -0.182 0.287 30 I C -2.025 174.118 176.117 0.043 0.000 1.008 30 I CA -1.142 60.139 61.300 -0.031 0.000 1.104 30 I CB 2.463 40.416 38.000 -0.079 0.000 1.264 30 I HN 0.590 8.821 8.210 0.035 0.000 0.438 31 V N 7.898 127.856 119.914 0.073 0.000 3.001 31 V HA 0.795 5.041 4.120 -0.080 -0.174 0.314 31 V C -2.086 173.983 176.094 -0.042 0.000 1.099 31 V CA -2.914 59.372 62.300 -0.024 0.000 0.989 31 V CB 5.342 37.114 31.823 -0.084 0.000 1.040 31 V HN 0.930 9.181 8.190 0.102 0.000 0.434 32 T N 8.285 122.792 114.554 -0.079 0.000 2.812 32 T HA 0.257 4.567 4.350 -0.068 0.000 0.282 32 T C -2.243 172.398 174.700 -0.097 0.000 0.990 32 T CA -0.576 61.481 62.100 -0.072 0.000 0.960 32 T CB 2.068 70.905 68.868 -0.051 0.000 0.948 32 T HN 0.649 8.828 8.240 -0.101 0.000 0.438 33 A N 7.562 130.308 122.820 -0.123 0.000 2.288 33 A HA 0.857 5.269 4.320 -0.138 -0.175 0.320 33 A C -0.967 176.608 177.584 -0.016 0.000 1.217 33 A CA -2.186 49.747 52.037 -0.173 0.000 0.840 33 A CB 1.870 20.600 19.000 -0.450 0.000 1.179 33 A HN 0.180 8.262 8.150 -0.112 0.000 0.504 34 G N 0.871 109.739 108.800 0.112 0.000 2.389 34 G HA2 0.273 4.271 3.960 0.063 0.000 0.317 34 G HA3 0.273 4.288 3.960 0.093 0.000 0.317 34 G C 0.098 175.115 174.900 0.194 0.000 1.137 34 G CA -1.354 43.814 45.100 0.114 0.000 0.870 34 G HN 0.397 8.791 8.290 0.173 0.000 0.496 35 A N 1.564 124.456 122.820 0.120 0.000 2.093 35 A HA -0.269 4.142 4.320 0.151 0.000 0.222 35 A C -0.077 177.544 177.584 0.062 0.000 1.162 35 A CA 2.231 54.333 52.037 0.107 0.000 0.655 35 A CB -0.244 18.790 19.000 0.057 0.000 0.805 35 A HN 0.509 8.706 8.150 0.078 0.000 0.461 36 D N -5.532 114.889 120.400 0.036 0.000 2.388 36 D HA 0.027 4.634 4.640 -0.056 0.000 0.221 36 D C -0.693 175.531 176.300 -0.127 0.000 1.133 36 D CA -0.433 53.544 54.000 -0.038 0.000 0.831 36 D CB 0.404 41.193 40.800 -0.018 0.000 0.962 36 D HN -0.490 7.861 8.370 0.061 0.056 0.502 37 G N -2.621 106.051 108.800 -0.213 0.000 2.163 37 G HA2 -0.376 2.913 3.960 -1.410 0.000 0.213 37 G HA3 -0.376 3.360 3.960 -0.372 0.000 0.213 37 G C -1.826 173.065 174.900 -0.015 0.000 0.991 37 G CA 0.017 44.838 45.100 -0.466 0.000 0.653 37 G HN -0.099 8.106 8.290 -0.045 0.058 0.518 38 A N -0.172 122.748 122.820 0.167 0.000 2.306 38 A HA 0.605 5.115 4.320 0.117 -0.120 0.330 38 A C -1.974 175.717 177.584 0.178 0.000 1.146 38 A CA -1.815 50.311 52.037 0.149 0.000 0.827 38 A CB 2.784 21.827 19.000 0.072 0.000 1.178 38 A HN -0.740 7.517 8.150 0.178 0.000 0.490 39 L N 1.142 122.420 121.223 0.091 0.000 2.381 39 L HA 1.016 5.549 4.340 -0.045 -0.220 0.274 39 L C -0.439 176.399 176.870 -0.055 0.000 0.988 39 L CA -1.487 53.345 54.840 -0.015 0.000 0.824 39 L CB 3.192 45.217 42.059 -0.058 0.000 1.263 39 L HN -0.098 8.179 8.230 0.080 0.000 0.410 40 T N -1.155 113.348 114.554 -0.085 0.000 2.916 40 T HA 0.803 5.258 4.350 -0.084 -0.155 0.305 40 T C -0.713 173.923 174.700 -0.105 0.000 1.119 40 T CA -2.080 59.971 62.100 -0.081 0.000 1.008 40 T CB 3.373 72.216 68.868 -0.042 0.000 1.129 40 T HN 0.482 8.667 8.240 -0.093 0.000 0.480 41 G N -0.105 108.635 108.800 -0.099 0.000 2.367 41 G HA2 0.251 4.177 3.960 -0.057 0.000 0.272 41 G HA3 0.251 4.388 3.960 -0.102 -0.238 0.272 41 G C -2.545 172.319 174.900 -0.060 0.000 1.271 41 G CA 0.994 46.045 45.100 -0.083 0.000 0.893 41 G HN -0.402 7.836 8.290 -0.087 0.000 0.485 42 T N -1.751 112.783 114.554 -0.033 0.000 2.907 42 T HA 0.929 5.458 4.350 0.043 -0.153 0.292 42 T C -2.426 172.321 174.700 0.079 0.000 1.043 42 T CA -2.152 59.965 62.100 0.028 0.000 1.003 42 T CB 3.598 72.483 68.868 0.030 0.000 1.084 42 T HN -0.056 8.163 8.240 -0.035 0.000 0.483 43 Y N 1.685 122.010 120.300 0.041 0.000 2.462 43 Y HA 0.516 5.281 4.550 0.102 -0.153 0.346 43 Y C -2.744 173.315 175.900 0.265 0.000 0.976 43 Y CA -1.738 56.430 58.100 0.113 0.000 1.044 43 Y CB 4.361 42.851 38.460 0.050 0.000 1.230 43 Y HN 0.923 9.253 8.280 0.265 0.109 0.455 44 E N 7.510 127.815 120.200 0.175 0.000 2.241 44 E HA 0.662 5.509 4.350 0.506 -0.193 0.263 44 E C -2.218 174.547 176.600 0.275 0.000 0.882 44 E CA -1.684 54.894 56.400 0.296 0.000 0.769 44 E CB 4.238 34.004 29.700 0.111 0.000 1.185 44 E HN 0.495 8.683 8.360 -0.287 0.000 0.415 45 S N 5.826 121.819 115.700 0.489 0.000 2.767 45 S HA 0.519 5.212 4.470 0.371 0.000 0.300 45 S C -0.911 173.819 174.600 0.216 0.000 1.123 45 S CA -2.282 56.165 58.200 0.413 0.000 0.992 45 S CB 1.397 64.838 63.200 0.402 0.000 1.138 45 S HN 0.421 9.075 8.310 0.573 0.000 0.550 46 A N -0.220 122.696 122.820 0.161 0.000 2.287 46 A HA 0.383 4.756 4.320 0.089 0.000 0.214 46 A C -0.344 177.266 177.584 0.043 0.000 1.228 46 A CA -0.212 51.882 52.037 0.095 0.000 0.939 46 A CB 1.417 20.474 19.000 0.095 0.000 0.992 46 A HN 0.375 8.642 8.150 0.194 0.000 0.502 47 V N -2.173 117.746 119.914 0.009 0.000 3.040 47 V HA 0.311 4.409 4.120 -0.037 0.000 0.312 47 V C -0.062 175.934 176.094 -0.164 0.000 1.115 47 V CA -1.330 60.936 62.300 -0.057 0.000 0.998 47 V CB 2.599 34.394 31.823 -0.047 0.000 1.042 47 V HN -0.755 7.453 8.190 0.030 0.000 0.433 48 G N 1.924 110.629 108.800 -0.160 0.000 2.660 48 G HA2 -0.344 3.503 3.960 -0.189 0.000 0.247 48 G HA3 -0.344 3.393 3.960 -0.372 0.000 0.247 48 G C -0.771 174.019 174.900 -0.183 0.000 1.328 48 G CA -0.623 44.337 45.100 -0.234 0.000 0.884 48 G HN 0.021 8.248 8.290 -0.104 0.000 0.531 49 N N 2.828 121.402 118.700 -0.209 0.000 3.298 49 N HA 0.020 4.728 4.740 -0.053 0.000 0.292 49 N C -1.826 173.624 175.510 -0.099 0.000 1.271 49 N CA -1.075 51.911 53.050 -0.107 0.000 1.184 49 N CB -1.423 37.015 38.487 -0.082 0.000 1.452 49 N HN 0.045 8.260 8.380 -0.276 0.000 0.534 50 A N 0.466 123.252 122.820 -0.056 0.000 2.414 50 A HA 0.404 4.894 4.320 0.283 0.000 0.306 50 A C -1.816 175.919 177.584 0.252 0.000 1.054 50 A CA -1.071 51.038 52.037 0.119 0.000 0.724 50 A CB 2.941 21.854 19.000 -0.145 0.000 1.267 50 A HN -0.356 7.703 8.150 -0.057 0.057 0.418 51 E N 4.337 124.790 120.200 0.423 0.000 2.404 51 E HA 0.214 4.663 4.350 0.165 0.000 0.298 51 E C -1.501 175.170 176.600 0.117 0.000 0.908 51 E CA 0.287 56.813 56.400 0.210 0.000 0.808 51 E CB 1.925 31.700 29.700 0.125 0.000 1.380 51 E HN 0.567 9.373 8.360 0.743 0.000 0.392 52 S N 0.780 116.533 115.700 0.089 0.000 4.019 52 S HA -0.321 4.133 4.470 -0.028 0.000 0.635 52 S C -1.476 173.148 174.600 0.040 0.000 1.684 52 S CA 0.364 58.545 58.200 -0.031 0.000 2.024 52 S CB 0.037 63.123 63.200 -0.189 0.000 0.327 52 S HN 0.123 8.518 8.310 0.142 0.000 1.588 53 R N 2.302 122.756 120.500 -0.076 0.000 2.457 53 R HA 0.581 5.244 4.340 0.199 -0.204 0.284 53 R C -0.645 175.512 176.300 -0.239 0.000 1.024 53 R CA -0.214 55.889 56.100 0.005 0.000 1.025 53 R CB 1.980 32.285 30.300 0.010 0.000 1.063 53 R HN 0.064 8.269 8.270 -0.108 0.000 0.493 54 Y N -1.505 118.889 120.300 0.157 0.000 2.553 54 Y HA 0.208 4.806 4.550 0.080 0.000 0.347 54 Y C -1.024 174.893 175.900 0.028 0.000 1.019 54 Y CA -1.182 56.970 58.100 0.086 0.000 1.032 54 Y CB 3.576 42.060 38.460 0.040 0.000 1.284 54 Y HN 0.568 9.063 8.280 0.358 0.000 0.466 55 V N 1.259 121.248 119.914 0.125 0.000 2.607 55 V HA 0.103 4.365 4.120 0.034 -0.121 0.289 55 V C -0.667 175.430 176.094 0.004 0.000 1.053 55 V CA 0.699 63.024 62.300 0.042 0.000 0.996 55 V CB 0.632 32.467 31.823 0.019 0.000 0.995 55 V HN 0.720 8.992 8.190 0.136 0.000 0.476 56 L N 1.499 122.703 121.223 -0.032 0.000 2.370 56 L HA 1.045 5.531 4.340 -0.025 -0.161 0.266 56 L C -1.508 175.328 176.870 -0.055 0.000 1.002 56 L CA -1.541 53.265 54.840 -0.057 0.000 0.818 56 L CB 4.244 46.196 42.059 -0.179 0.000 1.325 56 L HN 0.350 8.557 8.230 -0.039 0.000 0.418 57 T N 1.307 115.861 114.554 0.000 0.000 2.952 57 T HA 0.660 5.159 4.350 -0.025 -0.164 0.305 57 T C -1.292 173.454 174.700 0.076 0.000 1.064 57 T CA -1.253 60.852 62.100 0.008 0.000 1.008 57 T CB 2.287 71.159 68.868 0.007 0.000 1.078 57 T HN -0.054 8.217 8.240 0.051 0.000 0.459 58 G N 3.733 112.578 108.800 0.074 0.000 2.731 58 G HA2 0.735 4.775 3.960 0.133 0.000 0.309 58 G HA3 0.735 4.951 3.960 0.213 -0.128 0.309 58 G C -2.660 172.308 174.900 0.114 0.000 1.273 58 G CA 0.375 45.556 45.100 0.136 0.000 0.798 58 G HN 0.528 8.839 8.290 0.034 0.000 0.509 59 R N -3.639 116.950 120.500 0.148 0.000 2.739 59 R HA 1.084 5.715 4.340 0.164 -0.194 0.271 59 R C -1.851 174.582 176.300 0.222 0.000 1.010 59 R CA -1.965 54.222 56.100 0.145 0.000 0.897 59 R CB 4.886 35.222 30.300 0.061 0.000 1.236 59 R HN 0.270 8.645 8.270 0.175 0.000 0.466 60 Y N -2.790 117.527 120.300 0.028 0.000 2.689 60 Y HA 0.627 5.339 4.550 0.052 -0.131 0.333 60 Y C -2.108 173.810 175.900 0.031 0.000 1.190 60 Y CA -2.532 55.589 58.100 0.035 0.000 1.063 60 Y CB 2.337 40.805 38.460 0.014 0.000 1.294 60 Y HN 0.299 8.598 8.280 0.033 0.000 0.466 61 D N 0.315 120.685 120.400 -0.051 0.000 2.374 61 D HA 0.161 4.689 4.640 -0.187 0.000 0.240 61 D C 0.276 176.403 176.300 -0.287 0.000 1.229 61 D CA -0.999 52.918 54.000 -0.140 0.000 0.895 61 D CB 0.290 41.106 40.800 0.026 0.000 1.046 61 D HN -0.105 8.385 8.370 0.201 0.000 0.498 62 S N 6.093 121.468 115.700 -0.542 0.000 2.469 62 S HA -0.322 3.885 4.470 -0.438 0.000 0.238 62 S C 0.038 174.603 174.600 -0.057 0.000 0.998 62 S CA 1.558 59.520 58.200 -0.396 0.000 0.957 62 S CB 0.274 63.271 63.200 -0.339 0.000 0.764 62 S HN -0.089 7.917 8.310 -0.507 0.000 0.514 63 A N 1.313 124.104 122.820 -0.049 0.000 2.978 63 A HA 0.445 4.788 4.320 0.038 0.000 0.341 63 A C -2.992 174.612 177.584 0.034 0.000 1.105 63 A CA -2.809 49.235 52.037 0.011 0.000 0.819 63 A CB 0.664 19.660 19.000 -0.007 0.000 1.080 63 A HN -0.461 7.697 8.150 -0.099 -0.068 0.476 64 P HA -0.041 4.645 4.420 0.077 -0.220 0.281 64 P C -1.585 175.752 177.300 0.062 0.000 1.274 64 P CA -0.309 62.842 63.100 0.086 0.000 0.794 64 P CB 1.258 33.037 31.700 0.132 0.000 1.201 65 A N -2.865 119.992 122.820 0.060 0.000 2.282 65 A HA 0.339 4.682 4.320 0.039 0.000 0.319 65 A C 1.199 178.812 177.584 0.049 0.000 1.121 65 A CA -1.486 50.578 52.037 0.046 0.000 0.836 65 A CB 1.711 20.734 19.000 0.039 0.000 1.146 65 A HN -0.019 8.172 8.150 0.068 0.000 0.494 66 T N -2.168 112.410 114.554 0.040 0.000 3.419 66 T HA 0.040 4.418 4.350 0.046 0.000 0.228 66 T C -1.278 173.442 174.700 0.034 0.000 0.939 66 T CA -1.176 60.947 62.100 0.039 0.000 0.992 66 T CB -1.341 67.547 68.868 0.034 0.000 1.186 66 T HN 0.185 8.547 8.240 0.034 -0.101 0.612 67 D N -0.625 119.796 120.400 0.035 0.000 2.732 67 D HA 0.047 4.569 4.640 0.026 0.134 0.292 67 D C -0.577 175.742 176.300 0.031 0.000 1.135 67 D CA -1.598 52.419 54.000 0.029 0.000 1.071 67 D CB 2.054 42.870 40.800 0.026 0.000 1.457 67 D HN -0.215 8.934 8.370 0.041 -0.755 0.547 68 G N -2.187 106.628 108.800 0.026 0.000 3.102 68 G HA2 -0.065 3.910 3.960 0.025 0.000 0.264 68 G HA3 -0.065 3.907 3.960 0.019 0.000 0.264 68 G C -0.916 173.998 174.900 0.024 0.000 0.788 68 G CA 0.404 45.518 45.100 0.024 0.000 2.029 68 G HN 0.075 8.379 8.290 0.023 0.000 0.608 69 S N 1.368 117.088 115.700 0.032 0.000 2.677 69 S HA 0.163 4.650 4.470 0.029 0.000 0.304 69 S C -0.695 173.931 174.600 0.043 0.000 1.108 69 S CA -1.596 56.625 58.200 0.036 0.000 0.944 69 S CB 3.869 67.094 63.200 0.041 0.000 1.127 69 S HN -0.300 7.982 8.310 0.038 0.051 0.511 70 G N -0.611 108.218 108.800 0.048 0.000 2.522 70 G HA2 0.340 4.378 3.960 0.032 0.000 0.304 70 G HA3 0.340 4.435 3.960 0.051 -0.104 0.304 70 G C -1.074 173.897 174.900 0.119 0.000 1.210 70 G CA -0.770 44.366 45.100 0.060 0.000 0.960 70 G HN -0.246 8.161 8.290 0.046 -0.090 0.497 71 T N 3.710 118.380 114.554 0.194 0.000 2.733 71 T HA 0.105 4.568 4.350 0.189 0.000 0.294 71 T C -0.815 174.018 174.700 0.220 0.000 0.956 71 T CA 0.373 62.617 62.100 0.241 0.000 0.987 71 T CB 0.700 69.789 68.868 0.369 0.000 0.920 71 T HN 0.240 8.499 8.240 0.212 0.109 0.470 72 A N 8.179 131.098 122.820 0.166 0.000 2.425 72 A HA 0.435 5.014 4.320 0.144 -0.173 0.249 72 A C -1.368 176.323 177.584 0.178 0.000 1.084 72 A CA -0.042 52.082 52.037 0.145 0.000 0.781 72 A CB 0.886 19.944 19.000 0.097 0.000 1.019 72 A HN 0.692 8.926 8.150 0.141 0.000 0.490 73 L N -4.171 117.158 121.223 0.177 0.000 2.765 73 L HA 1.001 5.581 4.340 0.199 -0.120 0.263 73 L C -1.234 175.738 176.870 0.171 0.000 1.068 73 L CA -1.028 53.935 54.840 0.206 0.000 0.903 73 L CB 3.096 45.304 42.059 0.249 0.000 1.512 73 L HN 0.087 8.412 8.230 0.157 0.000 0.404 74 G N -3.809 105.109 108.800 0.197 0.000 2.673 74 G HA2 0.733 4.866 3.960 0.006 0.000 0.292 74 G HA3 0.733 4.728 3.960 0.058 0.000 0.292 74 G C -3.274 171.768 174.900 0.237 0.000 1.450 74 G CA 0.758 45.925 45.100 0.113 0.000 0.837 74 G HN 0.068 8.498 8.290 0.233 0.000 0.505 75 W N -2.762 118.561 121.300 0.038 0.000 3.066 75 W HA 0.699 5.445 4.660 -0.029 -0.103 0.330 75 W C -3.150 173.413 176.519 0.073 0.000 1.253 75 W CA -1.585 55.748 57.345 -0.020 0.000 1.187 75 W CB 2.122 31.471 29.460 -0.185 0.000 1.434 75 W HN 0.472 8.498 8.180 -0.257 0.000 0.572 76 T N 1.306 115.992 114.554 0.220 0.000 2.907 76 T HA 0.890 5.460 4.350 0.042 -0.195 0.292 76 T C -1.468 173.285 174.700 0.088 0.000 1.043 76 T CA -0.618 61.536 62.100 0.091 0.000 1.003 76 T CB 3.121 71.990 68.868 0.003 0.000 1.084 76 T HN 0.541 8.938 8.240 0.263 0.000 0.483 77 V N 3.747 123.600 119.914 -0.100 0.000 2.612 77 V HA 0.337 4.440 4.120 -0.269 -0.144 0.301 77 V C -2.294 173.389 176.094 -0.686 0.000 1.059 77 V CA -1.008 61.042 62.300 -0.417 0.000 0.886 77 V CB 3.684 35.051 31.823 -0.759 0.000 1.007 77 V HN 0.253 8.355 8.190 -0.147 0.000 0.426 78 A N 5.268 127.796 122.820 -0.486 0.000 2.306 78 A HA 0.539 4.752 4.320 -0.360 -0.109 0.314 78 A C -0.249 177.073 177.584 -0.436 0.000 1.164 78 A CA -1.638 50.190 52.037 -0.348 0.000 0.822 78 A CB 1.989 20.919 19.000 -0.117 0.000 1.130 78 A HN 0.648 8.605 8.150 -0.321 0.000 0.496 79 W N 3.462 124.699 121.300 -0.105 0.000 1.809 79 W HA 0.011 4.360 4.660 -0.519 0.000 0.399 79 W C -1.526 175.043 176.519 0.083 0.000 0.636 79 W CA -1.536 55.682 57.345 -0.212 0.000 2.178 79 W CB -0.467 28.803 29.460 -0.316 0.000 1.632 79 W HN 0.528 8.674 8.180 -0.057 0.000 0.470 80 K N 1.196 121.814 120.400 0.363 0.000 2.443 80 K HA 0.740 5.438 4.320 0.268 -0.218 0.252 80 K C -1.628 175.128 176.600 0.260 0.000 0.933 80 K CA -1.229 55.219 56.287 0.268 0.000 0.792 80 K CB 3.101 35.662 32.500 0.101 0.000 1.185 80 K HN -0.575 7.773 8.250 0.295 0.079 0.425 81 N N 5.083 123.860 118.700 0.129 0.000 3.418 81 N HA 0.225 4.948 4.740 -0.029 0.000 0.316 81 N C -0.792 174.635 175.510 -0.137 0.000 1.601 81 N CA -0.938 52.085 53.050 -0.046 0.000 0.805 81 N CB 0.825 39.161 38.487 -0.251 0.000 1.873 81 N HN 0.834 9.294 8.380 0.134 0.000 0.615 82 N N -1.602 116.901 118.700 -0.328 0.000 2.515 82 N HA 0.027 4.557 4.740 -0.349 0.000 0.185 82 N C -0.173 174.831 175.510 -0.843 0.000 1.109 82 N CA 1.908 54.593 53.050 -0.607 0.000 0.903 82 N CB -0.384 37.605 38.487 -0.830 0.000 0.969 82 N HN 0.107 8.322 8.380 -0.276 0.000 0.450 83 Y N -2.097 118.184 120.300 -0.032 0.000 2.422 83 Y HA 0.065 4.613 4.550 -0.004 0.000 0.291 83 Y C 0.088 175.999 175.900 0.020 0.000 1.144 83 Y CA 1.541 59.636 58.100 -0.009 0.000 1.208 83 Y CB 1.599 40.046 38.460 -0.021 0.000 1.195 83 Y HN -0.189 8.215 8.280 -0.234 -0.265 0.535 84 R N -2.864 117.744 120.500 0.179 0.000 2.888 84 R HA 0.292 4.693 4.340 0.102 0.000 0.266 84 R C -2.263 174.109 176.300 0.121 0.000 1.020 84 R CA -1.458 54.733 56.100 0.152 0.000 0.963 84 R CB 3.535 33.967 30.300 0.219 0.000 1.197 84 R HN 0.108 8.911 8.270 0.191 -0.419 0.481 85 N N 0.842 119.554 118.700 0.020 0.000 2.607 85 N HA 0.234 5.097 4.740 -0.024 -0.137 0.271 85 N C -0.908 174.422 175.510 -0.300 0.000 1.142 85 N CA 0.247 53.214 53.050 -0.139 0.000 0.810 85 N CB 0.237 38.564 38.487 -0.267 0.000 1.306 85 N HN 0.316 8.702 8.380 0.008 0.000 0.536 86 A N 3.981 126.732 122.820 -0.115 0.000 2.251 86 A HA 0.047 4.329 4.320 -0.062 0.000 0.209 86 A C -0.168 177.404 177.584 -0.019 0.000 1.187 86 A CA -0.028 51.968 52.037 -0.068 0.000 0.823 86 A CB 0.370 19.357 19.000 -0.023 0.000 0.846 86 A HN 0.506 8.678 8.150 0.037 0.000 0.486 87 H N -3.589 115.535 119.070 0.091 0.000 2.672 87 H HA -0.317 4.279 4.556 0.066 0.000 0.325 87 H C -1.906 173.460 175.328 0.064 0.000 1.158 87 H CA 0.817 56.904 56.048 0.064 0.000 1.134 87 H CB -2.656 27.127 29.762 0.035 0.000 1.553 87 H HN -0.291 7.932 8.280 -0.368 -0.163 0.419 88 S N -4.462 111.345 115.700 0.177 0.000 2.615 88 S HA 0.813 5.457 4.470 0.118 -0.103 0.269 88 S C -2.493 172.234 174.600 0.212 0.000 1.161 88 S CA -0.661 57.645 58.200 0.176 0.000 0.817 88 S CB 4.047 67.337 63.200 0.150 0.000 1.131 88 S HN -0.391 8.023 8.310 0.173 0.000 0.467 89 A N -1.820 121.082 122.820 0.137 0.000 2.520 89 A HA 0.752 5.095 4.320 -0.211 -0.149 0.298 89 A C -2.276 175.287 177.584 -0.035 0.000 1.051 89 A CA -0.251 51.764 52.037 -0.038 0.000 0.690 89 A CB 3.763 22.721 19.000 -0.070 0.000 1.281 89 A HN 0.526 8.741 8.150 0.108 0.000 0.402 90 T N 4.305 118.759 114.554 -0.168 0.000 2.856 90 T HA 0.998 5.396 4.350 -0.234 -0.189 0.283 90 T C -0.712 173.738 174.700 -0.416 0.000 1.008 90 T CA -1.028 60.876 62.100 -0.326 0.000 0.997 90 T CB 2.434 70.959 68.868 -0.572 0.000 0.992 90 T HN 0.685 8.711 8.240 -0.357 0.000 0.454 91 T N 2.029 116.339 114.554 -0.406 0.000 2.841 91 T HA 0.762 5.188 4.350 -0.181 -0.185 0.283 91 T C -1.413 173.074 174.700 -0.354 0.000 1.000 91 T CA -1.924 60.017 62.100 -0.264 0.000 0.977 91 T CB 2.570 71.353 68.868 -0.142 0.000 0.979 91 T HN 0.484 8.503 8.240 -0.368 0.000 0.446 92 W N 4.592 125.550 121.300 -0.570 0.000 2.587 92 W HA 0.478 5.175 4.660 -0.186 -0.149 0.324 92 W C -1.433 174.798 176.519 -0.480 0.000 1.040 92 W CA -1.337 55.669 57.345 -0.566 0.000 1.222 92 W CB 3.704 32.446 29.460 -1.196 0.000 1.381 92 W HN 0.869 8.870 8.180 -0.299 0.000 0.483 93 S N 1.786 117.462 115.700 -0.039 0.000 2.532 93 S HA 0.800 5.405 4.470 -0.013 -0.142 0.299 93 S C -1.010 173.625 174.600 0.058 0.000 1.105 93 S CA -1.600 56.597 58.200 -0.005 0.000 1.018 93 S CB 1.642 64.838 63.200 -0.007 0.000 1.021 93 S HN 0.261 8.585 8.310 0.022 0.000 0.483 94 G N 3.776 112.631 108.800 0.091 0.000 2.364 94 G HA2 0.523 4.546 3.960 0.105 0.000 0.286 94 G HA3 0.523 4.747 3.960 0.169 -0.163 0.286 94 G C -3.511 171.477 174.900 0.146 0.000 1.241 94 G CA 0.869 46.047 45.100 0.129 0.000 0.887 94 G HN 0.352 8.697 8.290 0.092 0.000 0.484 95 Q N -3.114 116.783 119.800 0.162 0.000 2.416 95 Q HA 0.828 5.444 4.340 0.193 -0.160 0.281 95 Q C -2.455 173.660 176.000 0.193 0.000 1.067 95 Q CA -2.003 53.902 55.803 0.170 0.000 0.809 95 Q CB 4.448 33.259 28.738 0.121 0.000 1.418 95 Q HN 0.143 8.513 8.270 0.167 0.000 0.411 96 Y N 3.459 123.814 120.300 0.091 0.000 2.334 96 Y HA 0.652 5.393 4.550 0.064 -0.153 0.328 96 Y C -2.126 173.834 175.900 0.100 0.000 1.130 96 Y CA -1.564 56.581 58.100 0.073 0.000 1.163 96 Y CB 2.679 41.159 38.460 0.034 0.000 1.207 96 Y HN 0.699 9.055 8.280 0.310 0.110 0.471 97 V N 4.842 124.258 119.914 -0.830 0.000 2.686 97 V HA 0.360 4.174 4.120 -0.512 0.000 0.306 97 V C -1.392 174.236 176.094 -0.777 0.000 1.065 97 V CA -1.782 60.146 62.300 -0.619 0.000 0.894 97 V CB 3.557 35.256 31.823 -0.207 0.000 1.004 97 V HN 0.278 8.047 8.190 -0.701 0.000 0.424 98 G N 3.180 111.669 108.800 -0.518 0.000 2.642 98 G HA2 0.437 4.346 3.960 -0.086 0.000 0.291 98 G HA3 0.437 4.479 3.960 0.015 -0.073 0.291 98 G C -1.026 173.850 174.900 -0.039 0.000 1.345 98 G CA -1.598 43.411 45.100 -0.151 0.000 1.043 98 G HN 0.257 8.324 8.290 -0.372 0.000 0.528 99 G N -2.842 105.975 108.800 0.027 0.000 2.331 99 G HA2 -0.201 3.776 3.960 0.028 0.000 0.402 99 G HA3 -0.201 3.766 3.960 0.012 0.000 0.402 99 G C -1.010 173.909 174.900 0.032 0.000 1.275 99 G CA -0.641 44.473 45.100 0.024 0.000 1.003 99 G HN -0.218 8.112 8.290 0.066 0.000 0.500 100 A N -1.128 121.707 122.820 0.024 0.000 1.958 100 A HA -0.155 4.175 4.320 0.017 0.000 0.221 100 A C 0.096 177.694 177.584 0.023 0.000 1.178 100 A CA 1.891 53.940 52.037 0.019 0.000 0.642 100 A CB 0.192 19.200 19.000 0.014 0.000 0.816 100 A HN 0.167 8.329 8.150 0.020 0.000 0.453 101 E N -2.009 118.210 120.200 0.032 0.000 2.255 101 E HA 0.089 4.462 4.350 0.040 0.000 0.245 101 E C -2.178 174.467 176.600 0.076 0.000 0.909 101 E CA -1.409 55.020 56.400 0.047 0.000 0.747 101 E CB -0.342 29.385 29.700 0.045 0.000 1.215 101 E HN -0.318 8.038 8.360 0.029 0.021 0.424 102 A N 4.780 127.669 122.820 0.114 0.000 2.340 102 A HA 0.492 4.999 4.320 0.070 -0.145 0.268 102 A C -0.738 177.058 177.584 0.354 0.000 1.100 102 A CA -0.568 51.587 52.037 0.197 0.000 0.803 102 A CB 1.388 20.611 19.000 0.372 0.000 1.043 102 A HN 0.422 8.625 8.150 0.087 0.000 0.488 103 R N -2.810 117.879 120.500 0.315 0.000 2.764 103 R HA 0.923 5.802 4.340 0.662 -0.142 0.270 103 R C -1.956 174.498 176.300 0.257 0.000 1.014 103 R CA -1.754 54.582 56.100 0.393 0.000 0.904 103 R CB 3.524 33.969 30.300 0.242 0.000 1.236 103 R HN 0.468 8.799 8.270 0.102 0.000 0.466 104 I N -0.459 120.277 120.570 0.276 0.000 2.447 104 I HA 0.500 4.969 4.170 0.204 -0.177 0.287 104 I C -1.854 174.469 176.117 0.344 0.000 1.023 104 I CA -1.240 60.209 61.300 0.248 0.000 1.083 104 I CB 2.963 41.056 38.000 0.155 0.000 1.245 104 I HN 0.250 8.690 8.210 0.384 0.000 0.434 105 N N 8.397 127.255 118.700 0.263 0.000 2.424 105 N HA 0.538 5.432 4.740 0.257 0.000 0.271 105 N C -0.995 174.671 175.510 0.260 0.000 0.985 105 N CA -0.170 53.023 53.050 0.238 0.000 0.921 105 N CB 2.521 41.100 38.487 0.154 0.000 1.149 105 N HN 0.271 8.779 8.380 0.215 0.000 0.492 106 T N 0.114 114.861 114.554 0.322 0.000 2.887 106 T HA 0.722 5.343 4.350 0.225 -0.136 0.292 106 T C -1.075 173.787 174.700 0.270 0.000 1.087 106 T CA -2.469 59.823 62.100 0.320 0.000 1.009 106 T CB 3.517 72.684 68.868 0.498 0.000 1.203 106 T HN 0.628 9.074 8.240 0.344 0.000 0.518 107 Q N -0.034 119.869 119.800 0.172 0.000 2.372 107 Q HA 0.733 5.185 4.340 -0.061 -0.149 0.273 107 Q C -1.745 174.246 176.000 -0.014 0.000 1.078 107 Q CA -0.844 54.955 55.803 -0.008 0.000 0.806 107 Q CB 5.025 33.731 28.738 -0.053 0.000 1.332 107 Q HN -0.005 8.359 8.270 0.157 0.000 0.435 108 W N -1.302 119.917 121.300 -0.136 0.000 2.975 108 W HA 0.919 5.491 4.660 -0.366 -0.131 0.342 108 W C -2.905 173.442 176.519 -0.287 0.000 1.168 108 W CA -2.956 54.170 57.345 -0.365 0.000 1.141 108 W CB 3.314 32.298 29.460 -0.792 0.000 1.445 108 W HN 1.062 8.619 8.180 -0.838 0.120 0.560 109 L N -0.652 120.615 121.223 0.075 0.000 2.385 109 L HA 0.768 5.332 4.340 0.042 -0.198 0.273 109 L C -1.848 175.067 176.870 0.075 0.000 0.990 109 L CA -1.326 53.543 54.840 0.049 0.000 0.821 109 L CB 3.192 45.227 42.059 -0.039 0.000 1.279 109 L HN 0.228 8.431 8.230 -0.045 0.000 0.412 110 L N 5.131 126.441 121.223 0.145 0.000 2.342 110 L HA 0.664 5.147 4.340 -0.026 -0.158 0.276 110 L C -1.851 175.034 176.870 0.025 0.000 0.997 110 L CA -1.545 53.322 54.840 0.045 0.000 0.838 110 L CB 3.170 45.253 42.059 0.040 0.000 1.224 110 L HN 0.607 8.948 8.230 0.185 0.000 0.416 111 T N 9.545 124.103 114.554 0.006 0.000 2.823 111 T HA 0.625 5.176 4.350 -0.014 -0.209 0.279 111 T C -0.849 173.858 174.700 0.011 0.000 0.998 111 T CA -0.475 61.623 62.100 -0.003 0.000 0.994 111 T CB 1.818 70.680 68.868 -0.010 0.000 0.960 111 T HN 0.551 8.793 8.240 0.003 0.000 0.448 112 S N 5.849 121.546 115.700 -0.005 0.000 2.537 112 S HA 0.400 5.030 4.470 0.043 -0.135 0.301 112 S C -0.265 174.337 174.600 0.003 0.000 1.092 112 S CA -0.463 57.743 58.200 0.010 0.000 1.048 112 S CB 2.739 65.929 63.200 -0.016 0.000 1.053 112 S HN 0.085 8.379 8.310 -0.026 0.000 0.501 113 G N 2.202 111.018 108.800 0.027 0.000 2.364 113 G HA2 0.008 3.966 3.960 -0.003 0.000 0.267 113 G HA3 0.008 3.974 3.960 0.010 0.000 0.267 113 G C -1.158 173.727 174.900 -0.025 0.000 1.233 113 G CA 0.353 45.454 45.100 0.002 0.000 0.885 113 G HN 0.120 8.450 8.290 0.066 0.000 0.490 114 T N 1.667 116.201 114.554 -0.034 0.000 2.858 114 T HA 0.278 4.601 4.350 -0.046 0.000 0.285 114 T C -0.637 174.045 174.700 -0.030 0.000 1.052 114 T CA -1.663 60.411 62.100 -0.042 0.000 1.009 114 T CB 2.438 71.269 68.868 -0.062 0.000 1.241 114 T HN -0.040 8.183 8.240 -0.028 0.000 0.542 115 T N -3.213 111.327 114.554 -0.023 0.000 2.902 115 T HA 0.131 4.474 4.350 -0.012 0.000 0.280 115 T C 1.151 175.854 174.700 0.006 0.000 0.992 115 T CA -1.360 60.734 62.100 -0.009 0.000 1.015 115 T CB 1.426 70.291 68.868 -0.004 0.000 1.044 115 T HN -0.141 8.083 8.240 -0.027 0.000 0.520 116 E N 1.756 121.966 120.200 0.016 0.000 2.085 116 E HA -0.402 3.966 4.350 0.030 0.000 0.194 116 E C 2.549 179.187 176.600 0.063 0.000 0.994 116 E CA 3.513 59.933 56.400 0.034 0.000 0.801 116 E CB -0.859 28.860 29.700 0.031 0.000 0.743 116 E HN 0.547 8.914 8.360 0.012 0.000 0.453 117 A N -0.901 121.957 122.820 0.063 0.000 1.997 117 A HA -0.221 4.168 4.320 0.115 0.000 0.221 117 A C 0.717 178.400 177.584 0.165 0.000 1.172 117 A CA 2.624 54.724 52.037 0.104 0.000 0.645 117 A CB -0.658 18.388 19.000 0.078 0.000 0.813 117 A HN 0.273 8.442 8.150 0.043 0.007 0.454 118 N N -4.190 114.553 118.700 0.072 0.000 2.214 118 N HA 0.122 4.866 4.740 0.007 0.000 0.214 118 N C 0.983 176.408 175.510 -0.141 0.000 1.132 118 N CA 0.030 53.058 53.050 -0.036 0.000 0.856 118 N CB 0.935 39.370 38.487 -0.086 0.000 1.020 118 N HN -0.609 7.661 8.380 0.038 0.133 0.509 119 A N 2.239 125.057 122.820 -0.004 0.000 1.908 119 A HA -0.182 4.107 4.320 -0.051 0.000 0.218 119 A C 1.693 179.259 177.584 -0.029 0.000 1.181 119 A CA 3.265 55.294 52.037 -0.013 0.000 0.627 119 A CB -0.493 18.535 19.000 0.047 0.000 0.818 119 A HN 0.230 8.231 8.150 0.066 0.188 0.445 120 W N -4.526 116.772 121.300 -0.004 0.000 2.331 120 W HA -0.298 4.358 4.660 -0.007 0.000 0.291 120 W C -0.336 176.180 176.519 -0.005 0.000 1.214 120 W CA 1.151 58.493 57.345 -0.005 0.000 1.228 120 W CB -1.113 28.343 29.460 -0.006 0.000 1.135 120 W HN 0.288 8.654 8.180 0.310 0.000 0.537 121 K N -1.847 117.995 120.400 -0.929 0.000 2.832 121 K HA 0.385 4.349 4.320 -0.594 0.000 0.211 121 K C 0.216 176.555 176.600 -0.435 0.000 1.112 121 K CA -0.474 55.283 56.287 -0.883 0.000 1.108 121 K CB -0.352 31.188 32.500 -1.600 0.000 0.899 121 K HN -0.745 6.724 8.250 -1.083 0.130 0.464 122 S N -0.716 114.831 115.700 -0.254 0.000 2.486 122 S HA -0.039 4.335 4.470 -0.160 0.000 0.220 122 S C -0.459 174.086 174.600 -0.093 0.000 1.011 122 S CA 1.496 59.607 58.200 -0.149 0.000 0.921 122 S CB 1.147 64.290 63.200 -0.094 0.000 0.785 122 S HN 0.005 8.126 8.310 -0.209 0.063 0.517 123 T N 5.177 119.683 114.554 -0.080 0.000 2.770 123 T HA 0.570 5.142 4.350 -0.024 -0.237 0.283 123 T C -0.354 174.328 174.700 -0.031 0.000 0.988 123 T CA -0.067 62.009 62.100 -0.040 0.000 0.957 123 T CB 1.749 70.599 68.868 -0.030 0.000 0.930 123 T HN -0.619 7.564 8.240 -0.095 0.000 0.443 124 L N 6.567 127.797 121.223 0.013 0.000 2.352 124 L HA 0.564 4.892 4.340 -0.020 0.000 0.269 124 L C -1.313 175.543 176.870 -0.023 0.000 1.034 124 L CA -0.845 54.014 54.840 0.032 0.000 0.806 124 L CB 2.432 44.584 42.059 0.155 0.000 1.244 124 L HN 0.693 8.946 8.230 0.038 0.000 0.447 125 V N -0.235 119.539 119.914 -0.234 0.000 2.925 125 V HA 0.949 4.935 4.120 -0.558 -0.201 0.311 125 V C -1.663 173.806 176.094 -1.042 0.000 1.104 125 V CA -2.507 59.468 62.300 -0.542 0.000 0.954 125 V CB 3.931 35.575 31.823 -0.299 0.000 1.022 125 V HN 0.013 8.084 8.190 -0.198 0.000 0.427 126 G N 4.121 111.878 108.800 -1.738 0.000 2.634 126 G HA2 0.264 3.796 3.960 -0.713 0.000 0.309 126 G HA3 0.264 3.034 3.960 -1.983 0.000 0.309 126 G C -3.356 170.821 174.900 -1.204 0.000 1.299 126 G CA 0.296 44.465 45.100 -1.551 0.000 0.798 126 G HN 0.055 7.341 8.290 -1.674 0.000 0.490 127 H N -3.600 115.125 119.070 -0.576 0.000 2.930 127 H HA 0.571 5.141 4.556 -0.147 -0.102 0.371 127 H C -1.789 173.704 175.328 0.276 0.000 1.169 127 H CA -1.757 54.220 56.048 -0.119 0.000 1.157 127 H CB 3.554 33.264 29.762 -0.086 0.000 1.789 127 H HN 0.094 7.985 8.280 -0.648 0.000 0.547 128 D N 0.927 121.576 120.400 0.415 0.000 2.857 128 D HA 0.365 5.188 4.640 0.118 -0.112 0.227 128 D C -1.356 174.980 176.300 0.060 0.000 1.192 128 D CA -0.044 54.086 54.000 0.217 0.000 0.857 128 D CB 4.790 45.713 40.800 0.205 0.000 1.645 128 D HN 0.159 8.695 8.370 0.455 0.108 0.482 129 T N 4.745 119.232 114.554 -0.111 0.000 2.812 129 T HA 0.648 5.256 4.350 0.140 -0.174 0.282 129 T C -1.144 173.471 174.700 -0.141 0.000 0.990 129 T CA -0.096 62.007 62.100 0.005 0.000 0.960 129 T CB 1.765 70.689 68.868 0.093 0.000 0.948 129 T HN -0.034 8.345 8.240 -0.149 -0.229 0.438 130 F N 7.097 127.229 119.950 0.303 0.000 2.480 130 F HA 0.891 5.804 4.527 0.310 -0.200 0.329 130 F C -0.342 175.716 175.800 0.431 0.000 1.091 130 F CA -1.658 56.545 58.000 0.339 0.000 0.972 130 F CB 3.333 42.532 39.000 0.331 0.000 1.150 130 F HN 0.770 9.338 8.300 0.447 0.000 0.467 131 T N -3.119 111.792 114.554 0.595 0.000 2.864 131 T HA 0.601 5.431 4.350 0.569 -0.139 0.289 131 T C 0.114 174.976 174.700 0.270 0.000 1.082 131 T CA -2.018 60.349 62.100 0.446 0.000 1.009 131 T CB 3.303 72.318 68.868 0.245 0.000 1.234 131 T HN 0.783 9.341 8.240 0.529 0.000 0.526 132 K N 1.244 121.625 120.400 -0.032 0.000 2.493 132 K HA 0.228 4.559 4.320 -0.194 -0.127 0.207 132 K C -1.400 175.192 176.600 -0.013 0.000 1.033 132 K CA -0.021 56.143 56.287 -0.204 0.000 1.161 132 K CB 0.141 32.336 32.500 -0.507 0.000 0.873 132 K HN 0.480 8.716 8.250 -0.023 0.000 0.491 133 V N 0.000 119.937 119.914 0.039 0.000 2.409 133 V HA 0.000 4.067 4.120 -0.088 0.000 0.244 133 V CA 0.000 62.267 62.300 -0.056 0.000 1.235 133 V CB 0.000 31.807 31.823 -0.026 0.000 1.184 133 V HN 0.000 8.145 8.190 0.104 0.107 0.556