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 1vwr_1_B 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 4.065 4.320 -0.425 0.000 0.244 13 A C 0.000 177.486 177.584 -0.164 0.000 1.274 13 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 13 A CB 0.000 19.070 19.000 0.116 0.000 0.831 14 E N -0.641 119.400 120.200 -0.266 0.000 4.239 14 E HA -0.562 3.470 4.350 -0.530 0.000 0.202 14 E C 0.910 177.389 176.600 -0.203 0.000 1.315 14 E CA 3.241 59.492 56.400 -0.249 0.000 2.198 14 E CB -0.558 29.174 29.700 0.053 0.000 1.906 14 E HN 0.532 8.678 8.360 -0.357 0.000 0.275 15 A N -0.457 122.304 122.820 -0.098 0.000 1.898 15 A HA -0.185 4.089 4.320 -0.076 0.000 0.216 15 A C 1.230 178.764 177.584 -0.083 0.000 1.181 15 A CA 2.189 54.184 52.037 -0.071 0.000 0.620 15 A CB -0.379 18.607 19.000 -0.023 0.000 0.819 15 A HN -0.063 8.040 8.150 -0.050 0.018 0.442 16 G N -1.890 106.860 108.800 -0.083 0.000 2.443 16 G HA2 -0.148 3.854 3.960 0.070 0.000 0.219 16 G HA3 -0.148 3.884 3.960 0.120 0.000 0.219 16 G C 0.852 175.691 174.900 -0.101 0.000 1.131 16 G CA 1.171 46.268 45.100 -0.004 0.000 0.775 16 G HN -0.085 8.066 8.290 -0.079 0.092 0.547 17 I N 0.997 121.340 120.570 -0.379 0.000 2.400 17 I HA -0.148 3.964 4.170 -0.098 0.000 0.248 17 I C 0.093 176.195 176.117 -0.026 0.000 1.109 17 I CA 1.604 62.723 61.300 -0.302 0.000 1.425 17 I CB 0.405 38.026 38.000 -0.632 0.000 1.094 17 I HN -0.325 7.483 8.210 -0.416 0.153 0.425 18 T N 2.164 116.633 114.554 -0.141 0.000 2.905 18 T HA -0.388 4.071 4.350 -0.132 -0.189 0.299 18 T C 0.201 174.822 174.700 -0.132 0.000 1.024 18 T CA 3.174 65.200 62.100 -0.123 0.000 1.151 18 T CB -0.110 68.682 68.868 -0.126 0.000 0.987 18 T HN -0.401 7.717 8.240 -0.203 0.000 0.535 19 G N 6.110 114.797 108.800 -0.188 0.000 2.320 19 G HA2 -0.082 3.721 3.960 -0.261 0.000 0.274 19 G HA3 -0.082 3.642 3.960 -0.393 0.000 0.274 19 G C -2.930 171.691 174.900 -0.464 0.000 1.324 19 G CA -0.107 44.800 45.100 -0.321 0.000 0.957 19 G HN 0.229 8.414 8.290 -0.174 0.000 0.481 20 T N 2.246 116.426 114.554 -0.622 0.000 2.824 20 T HA 0.726 4.855 4.350 -0.665 -0.178 0.280 20 T C -0.761 173.289 174.700 -1.083 0.000 0.995 20 T CA 0.051 61.709 62.100 -0.737 0.000 1.009 20 T CB 1.748 70.282 68.868 -0.556 0.000 0.955 20 T HN 0.079 7.973 8.240 -0.578 0.000 0.452 21 W N 4.195 124.909 121.300 -0.976 0.000 2.844 21 W HA 0.475 5.062 4.660 -0.388 -0.160 0.340 21 W C -1.698 174.485 176.519 -0.560 0.000 1.093 21 W CA -1.336 55.614 57.345 -0.657 0.000 1.212 21 W CB 3.933 32.932 29.460 -0.768 0.000 1.422 21 W HN 0.799 8.466 8.180 -0.855 0.000 0.515 22 Y N -1.371 119.150 120.300 0.368 0.000 2.499 22 Y HA 0.860 5.757 4.550 0.258 -0.192 0.347 22 Y C -0.827 175.260 175.900 0.311 0.000 0.987 22 Y CA -2.007 56.260 58.100 0.279 0.000 1.044 22 Y CB 3.310 41.836 38.460 0.110 0.000 1.245 22 Y HN 0.971 9.540 8.280 0.483 0.000 0.461 23 N N -0.174 118.699 118.700 0.290 0.000 2.592 23 N HA 0.618 5.487 4.740 -0.095 -0.186 0.292 23 N C 1.678 177.219 175.510 0.052 0.000 1.260 23 N CA -2.857 50.160 53.050 -0.055 0.000 0.910 23 N CB 1.957 40.185 38.487 -0.432 0.000 1.257 23 N HN -0.059 8.508 8.380 0.312 0.000 0.569 24 Q N -1.879 117.929 119.800 0.012 0.000 2.541 24 Q HA -0.045 4.330 4.340 0.058 0.000 0.215 24 Q C 0.342 176.375 176.000 0.056 0.000 0.977 24 Q CA 1.912 57.744 55.803 0.049 0.000 0.934 24 Q CB -0.677 28.092 28.738 0.052 0.000 0.988 24 Q HN 0.468 8.709 8.270 -0.049 0.000 0.521 25 L N -3.651 117.613 121.223 0.068 0.000 2.664 25 L HA 0.200 4.575 4.340 0.060 0.000 0.233 25 L C 0.432 177.352 176.870 0.083 0.000 1.113 25 L CA -0.127 54.758 54.840 0.074 0.000 0.896 25 L CB 0.958 43.070 42.059 0.088 0.000 1.163 25 L HN -0.239 8.255 8.230 0.066 -0.224 0.497 26 G N -1.823 107.038 108.800 0.102 0.000 2.148 26 G HA2 -0.334 3.690 3.960 0.107 0.000 0.203 26 G HA3 -0.334 3.675 3.960 0.082 0.000 0.203 26 G C -0.529 174.455 174.900 0.141 0.000 0.993 26 G CA -0.240 44.925 45.100 0.108 0.000 0.661 26 G HN -0.522 7.912 8.290 0.109 -0.079 0.518 27 S N 1.642 117.439 115.700 0.162 0.000 2.616 27 S HA 0.433 5.056 4.470 0.107 -0.089 0.277 27 S C -1.075 173.576 174.600 0.084 0.000 1.234 27 S CA 0.749 59.020 58.200 0.117 0.000 1.028 27 S CB 2.270 65.573 63.200 0.173 0.000 0.988 27 S HN -0.012 8.779 8.310 0.167 -0.381 0.522 28 T N 3.857 118.365 114.554 -0.076 0.000 2.861 28 T HA 0.891 5.346 4.350 -0.142 -0.191 0.287 28 T C -1.704 172.821 174.700 -0.293 0.000 1.003 28 T CA -0.431 61.580 62.100 -0.147 0.000 0.977 28 T CB 2.576 71.403 68.868 -0.067 0.000 0.996 28 T HN 0.205 8.367 8.240 -0.129 0.000 0.448 29 F N 5.832 125.513 119.950 -0.448 0.000 2.547 29 F HA 0.939 5.384 4.527 -0.425 -0.173 0.316 29 F C -3.265 172.332 175.800 -0.338 0.000 1.121 29 F CA -2.830 54.888 58.000 -0.469 0.000 0.911 29 F CB 3.634 42.245 39.000 -0.648 0.000 1.179 29 F HN 0.707 8.791 8.300 -0.360 0.000 0.443 30 I N 4.915 125.366 120.570 -0.199 0.000 2.406 30 I HA 0.734 4.842 4.170 -0.437 -0.200 0.290 30 I C -2.137 173.883 176.117 -0.162 0.000 0.999 30 I CA -1.281 59.852 61.300 -0.278 0.000 1.124 30 I CB 2.512 40.401 38.000 -0.186 0.000 1.289 30 I HN 0.636 8.825 8.210 -0.035 0.000 0.441 31 V N 7.915 127.703 119.914 -0.210 0.000 3.078 31 V HA 0.799 5.037 4.120 -0.077 -0.164 0.311 31 V C -2.331 173.689 176.094 -0.122 0.000 1.138 31 V CA -2.924 59.309 62.300 -0.111 0.000 1.007 31 V CB 5.365 37.170 31.823 -0.030 0.000 1.045 31 V HN 0.857 8.868 8.190 -0.298 0.000 0.432 32 T N 8.133 122.629 114.554 -0.097 0.000 2.812 32 T HA 0.305 4.591 4.350 -0.107 0.000 0.282 32 T C -2.152 172.491 174.700 -0.094 0.000 0.990 32 T CA -0.545 61.501 62.100 -0.090 0.000 0.960 32 T CB 1.994 70.827 68.868 -0.058 0.000 0.948 32 T HN 0.527 8.720 8.240 -0.079 0.000 0.438 33 A N 7.632 130.368 122.820 -0.139 0.000 2.249 33 A HA 0.802 5.227 4.320 -0.123 -0.178 0.314 33 A C -0.660 176.933 177.584 0.014 0.000 1.290 33 A CA -2.062 49.863 52.037 -0.185 0.000 0.893 33 A CB 1.257 19.918 19.000 -0.566 0.000 1.165 33 A HN 0.527 8.591 8.150 -0.144 0.000 0.530 34 G N 1.555 110.444 108.800 0.148 0.000 2.476 34 G HA2 0.129 4.131 3.960 0.071 0.000 0.269 34 G HA3 0.129 4.151 3.960 0.104 0.000 0.269 34 G C 0.262 175.275 174.900 0.188 0.000 1.195 34 G CA -1.167 44.011 45.100 0.129 0.000 0.843 34 G HN 0.589 8.872 8.290 0.188 0.119 0.545 35 A N 1.597 124.479 122.820 0.103 0.000 1.927 35 A HA -0.292 4.283 4.320 0.104 -0.193 0.220 35 A C -0.030 177.576 177.584 0.037 0.000 1.185 35 A CA 2.591 54.675 52.037 0.079 0.000 0.639 35 A CB -0.534 18.490 19.000 0.039 0.000 0.820 35 A HN 0.560 8.751 8.150 0.069 0.000 0.451 36 D N -3.147 117.260 120.400 0.012 0.000 2.722 36 D HA 0.004 4.599 4.640 -0.076 0.000 0.239 36 D C -0.272 175.951 176.300 -0.127 0.000 1.249 36 D CA -0.420 53.547 54.000 -0.054 0.000 0.830 36 D CB -0.538 40.245 40.800 -0.030 0.000 1.025 36 D HN -0.272 8.102 8.370 0.033 0.016 0.486 37 G N -1.651 107.004 108.800 -0.241 0.000 2.175 37 G HA2 -0.412 2.816 3.960 -1.394 0.000 0.244 37 G HA3 -0.412 3.327 3.960 -0.368 0.000 0.244 37 G C -1.788 173.112 174.900 -0.001 0.000 0.982 37 G CA 0.403 45.227 45.100 -0.460 0.000 0.641 37 G HN -0.264 7.861 8.290 -0.152 0.073 0.527 38 A N -0.592 122.311 122.820 0.139 0.000 2.322 38 A HA 0.269 4.773 4.320 0.120 -0.112 0.269 38 A C -1.515 176.199 177.584 0.216 0.000 1.094 38 A CA -0.652 51.477 52.037 0.152 0.000 0.807 38 A CB 1.778 20.828 19.000 0.083 0.000 1.047 38 A HN -0.627 7.539 8.150 0.110 0.050 0.487 39 L N 2.780 124.087 121.223 0.141 0.000 2.406 39 L HA 0.874 5.411 4.340 0.021 -0.184 0.272 39 L C -1.075 175.807 176.870 0.021 0.000 0.980 39 L CA -0.837 54.042 54.840 0.064 0.000 0.831 39 L CB 4.041 46.154 42.059 0.090 0.000 1.253 39 L HN -0.029 8.272 8.230 0.118 0.000 0.406 40 T N 0.997 115.543 114.554 -0.014 0.000 2.912 40 T HA 0.767 5.257 4.350 -0.014 -0.148 0.299 40 T C -0.950 173.725 174.700 -0.041 0.000 1.052 40 T CA -2.151 59.938 62.100 -0.019 0.000 0.996 40 T CB 3.245 72.110 68.868 -0.006 0.000 1.070 40 T HN 0.528 8.751 8.240 -0.028 0.000 0.465 41 G N 0.487 109.264 108.800 -0.038 0.000 2.356 41 G HA2 0.400 4.340 3.960 -0.035 0.000 0.281 41 G HA3 0.400 4.519 3.960 -0.038 -0.181 0.281 41 G C -2.658 172.235 174.900 -0.011 0.000 1.246 41 G CA 0.954 46.034 45.100 -0.034 0.000 0.889 41 G HN -0.152 8.120 8.290 -0.030 0.000 0.486 42 T N -2.117 112.444 114.554 0.012 0.000 2.903 42 T HA 0.884 5.443 4.350 0.074 -0.164 0.299 42 T C -2.510 172.263 174.700 0.122 0.000 1.093 42 T CA -1.898 60.239 62.100 0.062 0.000 1.002 42 T CB 3.587 72.480 68.868 0.042 0.000 1.127 42 T HN 0.158 8.400 8.240 0.004 0.000 0.488 43 Y N 2.524 122.863 120.300 0.065 0.000 2.393 43 Y HA 0.371 5.117 4.550 0.115 -0.126 0.341 43 Y C -2.407 173.639 175.900 0.243 0.000 0.988 43 Y CA -1.709 56.467 58.100 0.127 0.000 1.078 43 Y CB 3.716 42.231 38.460 0.091 0.000 1.203 43 Y HN 0.887 9.236 8.280 0.294 0.108 0.453 44 E N 6.798 127.071 120.200 0.121 0.000 2.199 44 E HA 0.694 5.489 4.350 0.318 -0.254 0.265 44 E C -0.638 176.108 176.600 0.243 0.000 0.882 44 E CA -2.127 54.396 56.400 0.205 0.000 0.759 44 E CB 3.626 33.366 29.700 0.066 0.000 1.148 44 E HN 0.918 9.120 8.360 -0.263 0.000 0.412 45 S N 3.922 119.842 115.700 0.366 0.000 2.645 45 S HA 0.120 4.800 4.470 0.351 0.000 0.266 45 S C 0.859 175.561 174.600 0.171 0.000 1.258 45 S CA -0.889 57.494 58.200 0.305 0.000 0.990 45 S CB 0.481 63.855 63.200 0.290 0.000 0.967 45 S HN 0.340 8.783 8.310 0.409 0.113 0.556 46 A N 1.371 124.271 122.820 0.133 0.000 2.504 46 A HA -0.182 4.313 4.320 0.092 -0.119 0.242 46 A C 0.693 178.320 177.584 0.071 0.000 1.100 46 A CA 1.424 53.515 52.037 0.090 0.000 0.786 46 A CB 0.182 19.224 19.000 0.070 0.000 1.050 46 A HN 0.410 8.642 8.150 0.137 0.000 0.512 47 V N -3.988 115.957 119.914 0.052 0.000 0.511 47 V HA -0.419 3.716 4.120 0.026 0.000 0.092 47 V C 0.726 176.839 176.094 0.033 0.000 2.268 47 V CA 1.806 64.126 62.300 0.034 0.000 3.585 47 V CB -0.633 31.207 31.823 0.029 0.000 0.872 47 V HN 0.485 8.706 8.190 0.051 0.000 0.913 48 G N 0.556 109.381 108.800 0.041 0.000 2.134 48 G HA2 -0.345 3.644 3.960 0.048 0.000 0.209 48 G HA3 -0.345 3.635 3.960 0.033 0.000 0.209 48 G C -1.151 173.754 174.900 0.009 0.000 0.993 48 G CA -0.368 44.752 45.100 0.035 0.000 0.669 48 G HN -0.087 8.169 8.290 0.053 0.065 0.519 49 N N -0.777 117.920 118.700 -0.004 0.000 2.479 49 N HA 0.084 4.803 4.740 -0.036 0.000 0.285 49 N C 0.681 176.140 175.510 -0.085 0.000 1.075 49 N CA -1.363 51.662 53.050 -0.042 0.000 0.967 49 N CB 0.533 38.991 38.487 -0.048 0.000 1.137 49 N HN -0.595 7.790 8.380 0.008 0.000 0.472 50 A N 3.550 126.306 122.820 -0.106 0.000 1.827 50 A HA -0.468 3.795 4.320 -0.095 0.000 0.262 50 A C 1.314 178.743 177.584 -0.257 0.000 2.408 50 A CA 3.268 55.212 52.037 -0.154 0.000 0.827 50 A CB -0.688 18.209 19.000 -0.172 0.000 0.840 50 A HN 0.711 8.814 8.150 -0.078 0.000 0.513 51 E N -4.146 115.759 120.200 -0.492 0.000 2.526 51 E HA -0.290 3.551 4.350 -0.847 0.000 0.206 51 E C 0.503 176.943 176.600 -0.265 0.000 1.139 51 E CA 1.167 57.137 56.400 -0.716 0.000 0.913 51 E CB -1.125 27.911 29.700 -1.106 0.000 0.868 51 E HN 0.343 8.413 8.360 -0.482 0.000 0.564 52 S N -1.832 113.801 115.700 -0.113 0.000 2.557 52 S HA 0.063 4.670 4.470 0.228 0.000 0.223 52 S C -0.680 174.019 174.600 0.166 0.000 0.969 52 S CA -0.617 57.650 58.200 0.111 0.000 0.927 52 S CB 0.017 63.280 63.200 0.105 0.000 0.806 52 S HN -0.129 7.973 8.310 -0.128 0.132 0.489 53 R N 1.142 121.603 120.500 -0.066 0.000 2.368 53 R HA 0.663 5.369 4.340 0.209 -0.240 0.302 53 R C -0.657 175.481 176.300 -0.270 0.000 1.002 53 R CA -0.678 55.420 56.100 -0.004 0.000 0.929 53 R CB 1.730 32.020 30.300 -0.016 0.000 1.073 53 R HN -0.780 7.320 8.270 -0.160 0.075 0.464 54 Y N 1.139 121.529 120.300 0.150 0.000 2.545 54 Y HA 0.192 4.785 4.550 0.071 0.000 0.348 54 Y C -0.912 174.999 175.900 0.019 0.000 1.002 54 Y CA -1.152 56.992 58.100 0.073 0.000 1.039 54 Y CB 3.382 41.846 38.460 0.006 0.000 1.271 54 Y HN 0.684 9.198 8.280 0.391 0.000 0.467 55 V N 1.652 121.633 119.914 0.112 0.000 2.775 55 V HA 0.004 4.269 4.120 0.043 -0.120 0.299 55 V C -0.631 175.471 176.094 0.013 0.000 1.062 55 V CA 1.274 63.601 62.300 0.045 0.000 1.063 55 V CB 0.422 32.258 31.823 0.021 0.000 0.994 55 V HN 0.787 9.044 8.190 0.112 0.000 0.483 56 L N 1.047 122.268 121.223 -0.002 0.000 2.388 56 L HA 1.074 5.604 4.340 -0.002 -0.191 0.264 56 L C -1.463 175.402 176.870 -0.008 0.000 0.998 56 L CA -1.572 53.257 54.840 -0.019 0.000 0.817 56 L CB 4.275 46.263 42.059 -0.119 0.000 1.338 56 L HN 0.283 8.512 8.230 -0.002 0.000 0.414 57 T N 1.627 116.205 114.554 0.039 0.000 2.933 57 T HA 0.728 5.264 4.350 0.028 -0.169 0.305 57 T C -1.394 173.375 174.700 0.114 0.000 1.092 57 T CA -1.374 60.756 62.100 0.049 0.000 1.008 57 T CB 2.316 71.204 68.868 0.033 0.000 1.102 57 T HN -0.072 8.216 8.240 0.080 0.000 0.469 58 G N 3.138 112.009 108.800 0.119 0.000 2.561 58 G HA2 0.657 4.709 3.960 0.154 0.000 0.310 58 G HA3 0.657 4.910 3.960 0.259 -0.138 0.310 58 G C -3.034 171.959 174.900 0.156 0.000 1.292 58 G CA 0.615 45.820 45.100 0.174 0.000 0.811 58 G HN 0.540 8.883 8.290 0.087 0.000 0.482 59 R N -3.554 117.056 120.500 0.184 0.000 2.739 59 R HA 1.162 5.839 4.340 0.200 -0.217 0.271 59 R C -1.768 174.685 176.300 0.255 0.000 1.010 59 R CA -2.267 53.938 56.100 0.175 0.000 0.897 59 R CB 4.914 35.259 30.300 0.075 0.000 1.236 59 R HN 0.087 8.479 8.270 0.204 0.000 0.466 60 Y N -2.854 117.472 120.300 0.043 0.000 2.625 60 Y HA 0.551 5.256 4.550 0.061 -0.118 0.338 60 Y C -2.134 173.786 175.900 0.033 0.000 1.123 60 Y CA -2.467 55.660 58.100 0.045 0.000 1.046 60 Y CB 2.558 41.035 38.460 0.029 0.000 1.299 60 Y HN 0.504 8.805 8.280 0.034 0.000 0.464 61 D N 0.347 120.731 120.400 -0.027 0.000 2.344 61 D HA 0.120 4.660 4.640 -0.167 0.000 0.253 61 D C 0.196 176.382 176.300 -0.190 0.000 1.255 61 D CA -0.791 53.144 54.000 -0.107 0.000 0.894 61 D CB 0.369 41.189 40.800 0.034 0.000 1.067 61 D HN 0.109 8.592 8.370 0.189 0.000 0.492 62 S N 3.863 119.313 115.700 -0.418 0.000 2.561 62 S HA -0.190 4.192 4.470 -0.146 0.000 0.225 62 S C -0.443 174.133 174.600 -0.040 0.000 0.977 62 S CA 1.432 59.465 58.200 -0.278 0.000 0.926 62 S CB 0.114 63.102 63.200 -0.354 0.000 0.769 62 S HN 0.078 8.130 8.310 -0.429 0.000 0.533 63 A N 1.660 124.462 122.820 -0.031 0.000 3.258 63 A HA 0.414 4.752 4.320 0.031 0.000 0.318 63 A C -3.225 174.378 177.584 0.032 0.000 0.990 63 A CA -2.857 49.186 52.037 0.011 0.000 0.885 63 A CB 0.165 19.161 19.000 -0.006 0.000 1.090 63 A HN -0.181 8.090 8.150 -0.062 -0.158 0.479 64 P HA -0.024 4.660 4.420 0.064 -0.225 0.270 64 P C -1.048 176.287 177.300 0.059 0.000 1.223 64 P CA -0.391 62.754 63.100 0.075 0.000 0.785 64 P CB 1.189 32.962 31.700 0.121 0.000 0.923 65 A N -0.790 122.061 122.820 0.053 0.000 2.483 65 A HA -0.164 4.176 4.320 0.035 0.000 0.238 65 A C 0.902 178.513 177.584 0.045 0.000 1.070 65 A CA 0.832 52.894 52.037 0.042 0.000 0.770 65 A CB 0.664 19.686 19.000 0.037 0.000 1.008 65 A HN 0.141 8.325 8.150 0.057 0.000 0.497 66 T N 0.155 114.731 114.554 0.037 0.000 3.607 66 T HA -0.014 4.386 4.350 0.043 -0.025 0.225 66 T C -1.504 173.215 174.700 0.032 0.000 0.904 66 T CA -0.885 61.237 62.100 0.036 0.000 0.962 66 T CB -1.737 67.149 68.868 0.031 0.000 1.221 66 T HN 0.359 8.708 8.240 0.032 -0.090 0.641 67 D N -0.840 119.581 120.400 0.035 0.000 2.614 67 D HA 0.015 4.670 4.640 0.026 0.000 0.264 67 D C -0.819 175.501 176.300 0.033 0.000 1.092 67 D CA -1.899 52.119 54.000 0.029 0.000 1.071 67 D CB 2.371 43.187 40.800 0.026 0.000 1.443 67 D HN -0.491 7.933 8.370 0.040 -0.030 0.528 68 G N -2.338 106.478 108.800 0.028 0.000 3.284 68 G HA2 -0.061 3.918 3.960 0.031 0.000 0.251 68 G HA3 -0.061 3.913 3.960 0.023 0.000 0.251 68 G C -0.773 174.144 174.900 0.029 0.000 0.913 68 G CA 0.272 45.388 45.100 0.028 0.000 1.947 68 G HN 0.010 8.315 8.290 0.024 0.000 0.635 69 S N 1.070 116.793 115.700 0.037 0.000 2.767 69 S HA 0.111 4.600 4.470 0.032 0.000 0.300 69 S C -0.178 174.453 174.600 0.052 0.000 1.123 69 S CA -0.734 57.490 58.200 0.041 0.000 0.992 69 S CB 3.102 66.328 63.200 0.044 0.000 1.138 69 S HN -0.396 7.946 8.310 0.043 -0.006 0.550 70 G N -0.655 108.179 108.800 0.057 0.000 2.531 70 G HA2 0.405 4.451 3.960 0.060 0.000 0.313 70 G HA3 0.405 4.531 3.960 0.061 -0.129 0.313 70 G C -1.338 173.641 174.900 0.130 0.000 1.238 70 G CA -0.732 44.414 45.100 0.076 0.000 0.994 70 G HN -0.298 8.109 8.290 0.051 -0.087 0.493 71 T N 3.746 118.424 114.554 0.206 0.000 2.743 71 T HA 0.131 4.593 4.350 0.187 0.000 0.292 71 T C -0.684 174.144 174.700 0.214 0.000 0.972 71 T CA 0.366 62.609 62.100 0.238 0.000 0.967 71 T CB 1.119 70.192 68.868 0.343 0.000 0.926 71 T HN 0.141 8.417 8.240 0.236 0.107 0.459 72 A N 8.547 131.465 122.820 0.164 0.000 2.425 72 A HA 0.583 5.176 4.320 0.138 -0.190 0.249 72 A C -1.376 176.316 177.584 0.179 0.000 1.084 72 A CA -0.192 51.931 52.037 0.142 0.000 0.781 72 A CB 0.959 20.016 19.000 0.096 0.000 1.019 72 A HN 0.666 8.900 8.150 0.141 0.000 0.490 73 L N -4.573 116.756 121.223 0.176 0.000 2.765 73 L HA 1.019 5.622 4.340 0.216 -0.133 0.263 73 L C -1.162 175.809 176.870 0.169 0.000 1.068 73 L CA -0.939 54.030 54.840 0.216 0.000 0.903 73 L CB 3.094 45.315 42.059 0.271 0.000 1.512 73 L HN 0.336 8.656 8.230 0.149 0.000 0.404 74 G N -3.826 105.096 108.800 0.202 0.000 2.632 74 G HA2 0.717 4.830 3.960 -0.067 0.000 0.292 74 G HA3 0.717 4.699 3.960 0.036 0.000 0.292 74 G C -3.237 171.803 174.900 0.234 0.000 1.465 74 G CA 0.800 45.951 45.100 0.085 0.000 0.824 74 G HN -0.203 8.245 8.290 0.263 0.000 0.509 75 W N -3.052 118.278 121.300 0.050 0.000 3.066 75 W HA 0.737 5.502 4.660 -0.006 -0.109 0.330 75 W C -3.085 173.481 176.519 0.078 0.000 1.253 75 W CA -1.702 55.642 57.345 -0.002 0.000 1.187 75 W CB 2.132 31.500 29.460 -0.153 0.000 1.434 75 W HN 0.386 8.382 8.180 -0.307 0.000 0.572 76 T N 1.479 116.179 114.554 0.243 0.000 2.893 76 T HA 0.871 5.458 4.350 0.073 -0.194 0.291 76 T C -1.454 173.298 174.700 0.086 0.000 1.028 76 T CA -0.486 61.679 62.100 0.109 0.000 0.995 76 T CB 3.024 71.899 68.868 0.011 0.000 1.051 76 T HN 0.636 9.040 8.240 0.273 0.000 0.470 77 V N 4.130 123.993 119.914 -0.086 0.000 2.623 77 V HA 0.387 4.495 4.120 -0.261 -0.145 0.304 77 V C -2.314 173.373 176.094 -0.678 0.000 1.054 77 V CA -1.350 60.704 62.300 -0.410 0.000 0.882 77 V CB 3.881 35.254 31.823 -0.749 0.000 1.002 77 V HN 0.718 8.839 8.190 -0.116 0.000 0.424 78 A N 4.915 127.433 122.820 -0.504 0.000 2.292 78 A HA 0.564 4.782 4.320 -0.364 -0.117 0.319 78 A C -0.170 177.164 177.584 -0.416 0.000 1.206 78 A CA -1.741 50.081 52.037 -0.360 0.000 0.835 78 A CB 1.798 20.719 19.000 -0.132 0.000 1.164 78 A HN 0.661 8.608 8.150 -0.338 0.000 0.505 79 W N 5.690 126.937 121.300 -0.089 0.000 1.395 79 W HA 0.011 4.380 4.660 -0.486 0.000 0.451 79 W C -1.778 174.806 176.519 0.109 0.000 0.619 79 W CA -0.729 56.502 57.345 -0.189 0.000 2.212 79 W CB -0.735 28.552 29.460 -0.288 0.000 1.537 79 W HN 0.853 8.953 8.180 -0.133 0.000 0.275 80 K N 1.071 121.723 120.400 0.421 0.000 2.513 80 K HA 0.781 5.530 4.320 0.335 -0.228 0.251 80 K C -1.790 174.975 176.600 0.276 0.000 0.939 80 K CA -1.125 55.348 56.287 0.310 0.000 0.793 80 K CB 3.215 35.769 32.500 0.090 0.000 1.241 80 K HN -0.305 8.094 8.250 0.376 0.076 0.431 81 N N 4.961 123.758 118.700 0.162 0.000 3.522 81 N HA 0.229 4.973 4.740 0.006 0.000 0.328 81 N C -1.322 174.198 175.510 0.016 0.000 1.623 81 N CA -0.778 52.275 53.050 0.004 0.000 0.812 81 N CB 0.879 39.215 38.487 -0.253 0.000 2.008 81 N HN 0.804 9.303 8.380 0.197 0.000 0.601 82 N N -0.860 117.826 118.700 -0.025 0.000 2.346 82 N HA 0.172 4.808 4.740 -0.173 0.000 0.225 82 N C -1.045 174.136 175.510 -0.547 0.000 1.144 82 N CA 1.005 53.895 53.050 -0.267 0.000 0.837 82 N CB -0.742 37.498 38.487 -0.411 0.000 1.069 82 N HN 0.093 8.498 8.380 0.041 0.000 0.487 83 Y N -2.621 117.677 120.300 -0.003 0.000 2.449 83 Y HA 0.083 4.646 4.550 0.023 0.000 0.278 83 Y C -1.088 174.850 175.900 0.064 0.000 1.066 83 Y CA 0.497 58.610 58.100 0.022 0.000 1.166 83 Y CB 2.194 40.660 38.460 0.010 0.000 1.346 83 Y HN -0.189 8.354 8.280 0.156 -0.169 0.562 84 R N -0.025 120.629 120.500 0.257 0.000 2.698 84 R HA 0.258 4.724 4.340 0.211 0.000 0.275 84 R C -2.719 173.729 176.300 0.246 0.000 1.001 84 R CA -1.367 54.889 56.100 0.259 0.000 0.896 84 R CB 3.809 34.318 30.300 0.349 0.000 1.218 84 R HN -0.257 8.423 8.270 0.240 -0.266 0.462 85 N N 3.954 122.775 118.700 0.203 0.000 2.607 85 N HA 0.283 5.239 4.740 0.116 -0.146 0.271 85 N C -0.937 174.698 175.510 0.209 0.000 1.142 85 N CA -0.064 53.041 53.050 0.092 0.000 0.810 85 N CB 1.127 39.554 38.487 -0.101 0.000 1.306 85 N HN 0.447 8.953 8.380 0.209 0.000 0.536 86 A N 4.286 127.242 122.820 0.226 0.000 2.278 86 A HA 0.090 4.566 4.320 0.260 0.000 0.212 86 A C 0.184 177.950 177.584 0.303 0.000 1.213 86 A CA -0.263 51.919 52.037 0.243 0.000 0.840 86 A CB 0.009 19.063 19.000 0.090 0.000 0.866 86 A HN 0.967 9.257 8.150 0.234 0.000 0.489 87 H N -1.053 118.074 119.070 0.095 0.000 2.506 87 H HA -0.385 4.215 4.556 0.073 0.000 0.323 87 H C -1.734 173.634 175.328 0.067 0.000 1.076 87 H CA 1.329 57.418 56.048 0.069 0.000 1.108 87 H CB -3.213 26.573 29.762 0.040 0.000 1.569 87 H HN 0.040 8.504 8.280 -0.052 -0.215 0.399 88 S N -5.377 110.431 115.700 0.179 0.000 2.611 88 S HA 0.711 5.355 4.470 0.116 -0.105 0.268 88 S C -2.546 172.196 174.600 0.237 0.000 1.156 88 S CA -0.690 57.620 58.200 0.183 0.000 0.817 88 S CB 3.946 67.238 63.200 0.152 0.000 1.122 88 S HN -0.338 8.077 8.310 0.176 0.000 0.466 89 A N -1.654 121.260 122.820 0.158 0.000 2.515 89 A HA 0.810 5.152 4.320 -0.194 -0.139 0.298 89 A C -2.353 175.228 177.584 -0.005 0.000 1.059 89 A CA -0.410 51.619 52.037 -0.015 0.000 0.698 89 A CB 3.914 22.871 19.000 -0.072 0.000 1.289 89 A HN 0.713 8.932 8.150 0.115 0.000 0.404 90 T N 3.072 117.545 114.554 -0.135 0.000 2.876 90 T HA 1.072 5.502 4.350 -0.218 -0.211 0.289 90 T C -0.875 173.599 174.700 -0.376 0.000 1.014 90 T CA -1.118 60.804 62.100 -0.295 0.000 0.986 90 T CB 2.927 71.482 68.868 -0.521 0.000 1.021 90 T HN 0.893 8.945 8.240 -0.313 0.000 0.458 91 T N 1.404 115.723 114.554 -0.392 0.000 2.861 91 T HA 0.834 5.288 4.350 -0.163 -0.202 0.287 91 T C -1.443 173.032 174.700 -0.376 0.000 1.003 91 T CA -2.021 59.922 62.100 -0.263 0.000 0.977 91 T CB 2.710 71.492 68.868 -0.144 0.000 0.996 91 T HN 0.598 8.623 8.240 -0.357 0.000 0.448 92 W N 4.473 125.420 121.300 -0.588 0.000 2.587 92 W HA 0.479 5.150 4.660 -0.238 -0.154 0.324 92 W C -1.506 174.682 176.519 -0.552 0.000 1.040 92 W CA -1.332 55.629 57.345 -0.640 0.000 1.222 92 W CB 3.383 32.016 29.460 -1.378 0.000 1.381 92 W HN 0.850 8.841 8.180 -0.315 0.000 0.483 93 S N 2.325 117.973 115.700 -0.087 0.000 2.502 93 S HA 0.757 5.332 4.470 -0.052 -0.136 0.304 93 S C -1.026 173.590 174.600 0.026 0.000 1.097 93 S CA -1.309 56.866 58.200 -0.041 0.000 1.045 93 S CB 1.552 64.736 63.200 -0.026 0.000 1.019 93 S HN 0.456 8.754 8.310 -0.020 0.000 0.481 94 G N 3.592 112.427 108.800 0.058 0.000 2.435 94 G HA2 0.545 4.561 3.960 0.092 0.000 0.296 94 G HA3 0.545 4.750 3.960 0.143 -0.158 0.296 94 G C -3.546 171.430 174.900 0.127 0.000 1.240 94 G CA 0.889 46.053 45.100 0.107 0.000 0.872 94 G HN 0.601 8.926 8.290 0.059 0.000 0.480 95 Q N -3.167 116.718 119.800 0.142 0.000 2.416 95 Q HA 0.871 5.513 4.340 0.176 -0.196 0.281 95 Q C -2.500 173.597 176.000 0.162 0.000 1.067 95 Q CA -2.222 53.672 55.803 0.151 0.000 0.809 95 Q CB 4.515 33.320 28.738 0.111 0.000 1.418 95 Q HN 0.085 8.442 8.270 0.145 0.000 0.411 96 Y N 3.292 123.625 120.300 0.054 0.000 2.320 96 Y HA 0.549 5.250 4.550 -0.018 -0.161 0.334 96 Y C -2.224 173.716 175.900 0.066 0.000 1.055 96 Y CA -1.458 56.653 58.100 0.019 0.000 1.143 96 Y CB 2.168 40.619 38.460 -0.015 0.000 1.193 96 Y HN 0.655 8.995 8.280 0.289 0.114 0.477 97 V N 8.287 127.813 119.914 -0.647 0.000 2.444 97 V HA 0.305 4.218 4.120 -0.346 0.000 0.294 97 V C -1.046 174.608 176.094 -0.733 0.000 1.022 97 V CA -1.289 60.731 62.300 -0.467 0.000 0.850 97 V CB 2.988 34.712 31.823 -0.164 0.000 0.992 97 V HN 0.603 8.460 8.190 -0.556 0.000 0.426 98 G N 4.172 112.604 108.800 -0.614 0.000 2.568 98 G HA2 0.509 4.297 3.960 -0.287 0.000 0.293 98 G HA3 0.509 4.445 3.960 -0.040 0.000 0.293 98 G C -0.836 174.028 174.900 -0.059 0.000 1.347 98 G CA -1.485 43.450 45.100 -0.276 0.000 1.039 98 G HN 0.209 8.261 8.290 -0.397 0.000 0.523 99 G N -2.562 106.257 108.800 0.031 0.000 2.384 99 G HA2 -0.257 3.725 3.960 0.038 0.000 0.668 99 G HA3 -0.257 3.710 3.960 0.013 0.000 0.668 99 G C -0.342 174.578 174.900 0.033 0.000 1.280 99 G CA -0.851 44.266 45.100 0.029 0.000 0.992 99 G HN -0.200 8.140 8.290 0.083 0.000 0.512 100 A N -0.359 122.476 122.820 0.025 0.000 1.909 100 A HA -0.208 4.123 4.320 0.018 0.000 0.221 100 A C 0.356 177.956 177.584 0.026 0.000 1.223 100 A CA 2.206 54.256 52.037 0.021 0.000 0.658 100 A CB 0.014 19.024 19.000 0.017 0.000 0.831 100 A HN 0.228 8.391 8.150 0.022 0.000 0.462 101 E N -1.882 118.337 120.200 0.033 0.000 2.683 101 E HA 0.095 4.475 4.350 0.050 0.000 0.224 101 E C -2.131 174.511 176.600 0.070 0.000 1.046 101 E CA -1.586 54.844 56.400 0.050 0.000 0.811 101 E CB -0.319 29.408 29.700 0.045 0.000 1.296 101 E HN -0.167 8.204 8.360 0.027 0.005 0.421 102 A N 3.790 126.670 122.820 0.100 0.000 2.351 102 A HA 0.410 4.892 4.320 0.016 -0.153 0.257 102 A C -0.917 176.852 177.584 0.308 0.000 1.087 102 A CA -0.051 52.073 52.037 0.145 0.000 0.798 102 A CB 1.165 20.323 19.000 0.264 0.000 1.033 102 A HN 0.023 8.225 8.150 0.086 0.000 0.488 103 R N -4.093 116.555 120.500 0.246 0.000 2.716 103 R HA 0.819 5.691 4.340 0.634 -0.151 0.271 103 R C -1.811 174.553 176.300 0.107 0.000 1.028 103 R CA -1.182 55.112 56.100 0.323 0.000 0.883 103 R CB 3.288 33.723 30.300 0.226 0.000 1.250 103 R HN 0.477 8.757 8.270 0.017 0.000 0.465 104 I N 0.004 120.650 120.570 0.126 0.000 2.410 104 I HA 0.606 5.039 4.170 0.085 -0.213 0.286 104 I C -1.538 174.754 176.117 0.292 0.000 1.009 104 I CA -1.326 60.039 61.300 0.109 0.000 1.111 104 I CB 2.301 40.259 38.000 -0.070 0.000 1.262 104 I HN 0.227 8.603 8.210 0.277 0.000 0.443 105 N N 8.749 127.583 118.700 0.224 0.000 2.419 105 N HA 0.530 5.432 4.740 0.270 0.000 0.277 105 N C -0.933 174.729 175.510 0.254 0.000 1.006 105 N CA 0.063 53.251 53.050 0.230 0.000 0.923 105 N CB 2.453 41.024 38.487 0.140 0.000 1.140 105 N HN 0.501 8.980 8.380 0.165 0.000 0.488 106 T N 0.180 114.931 114.554 0.328 0.000 2.865 106 T HA 0.709 5.336 4.350 0.211 -0.150 0.294 106 T C -1.038 173.828 174.700 0.277 0.000 1.119 106 T CA -2.352 59.939 62.100 0.318 0.000 1.007 106 T CB 3.457 72.624 68.868 0.498 0.000 1.225 106 T HN 0.799 9.257 8.240 0.363 0.000 0.515 107 Q N 0.239 120.139 119.800 0.167 0.000 2.394 107 Q HA 0.751 5.218 4.340 -0.047 -0.155 0.273 107 Q C -1.817 174.170 176.000 -0.021 0.000 1.089 107 Q CA -0.735 55.066 55.803 -0.003 0.000 0.812 107 Q CB 5.046 33.752 28.738 -0.053 0.000 1.353 107 Q HN 0.156 8.511 8.270 0.142 0.000 0.438 108 W N -1.414 119.786 121.300 -0.167 0.000 2.975 108 W HA 0.937 5.487 4.660 -0.416 -0.140 0.342 108 W C -2.776 173.548 176.519 -0.324 0.000 1.168 108 W CA -2.755 54.340 57.345 -0.417 0.000 1.141 108 W CB 3.302 32.229 29.460 -0.888 0.000 1.445 108 W HN 1.003 8.634 8.180 -0.732 0.109 0.560 109 L N -0.723 120.538 121.223 0.062 0.000 2.409 109 L HA 0.777 5.341 4.340 0.034 -0.204 0.272 109 L C -1.894 175.014 176.870 0.063 0.000 0.980 109 L CA -1.195 53.669 54.840 0.040 0.000 0.826 109 L CB 3.241 45.268 42.059 -0.053 0.000 1.268 109 L HN 0.465 8.651 8.230 -0.074 0.000 0.407 110 L N 5.408 126.715 121.223 0.140 0.000 2.316 110 L HA 0.748 5.238 4.340 -0.040 -0.175 0.280 110 L C -1.833 175.045 176.870 0.013 0.000 1.006 110 L CA -1.634 53.223 54.840 0.028 0.000 0.836 110 L CB 3.016 45.073 42.059 -0.003 0.000 1.221 110 L HN 0.690 9.036 8.230 0.193 0.000 0.418 111 T N 9.841 124.395 114.554 -0.001 0.000 2.797 111 T HA 0.742 5.318 4.350 -0.023 -0.239 0.279 111 T C -0.728 173.977 174.700 0.009 0.000 0.991 111 T CA -0.536 61.558 62.100 -0.009 0.000 0.979 111 T CB 1.968 70.828 68.868 -0.015 0.000 0.943 111 T HN 0.841 9.081 8.240 -0.001 0.000 0.444 112 S N 6.197 121.893 115.700 -0.007 0.000 2.593 112 S HA 0.440 5.072 4.470 0.046 -0.134 0.297 112 S C -0.296 174.312 174.600 0.013 0.000 1.112 112 S CA -0.535 57.672 58.200 0.013 0.000 1.043 112 S CB 2.569 65.759 63.200 -0.016 0.000 1.054 112 S HN 0.193 8.485 8.310 -0.030 0.000 0.516 113 G N 1.174 110.000 108.800 0.044 0.000 2.355 113 G HA2 0.035 4.008 3.960 0.023 0.000 0.276 113 G HA3 0.035 4.030 3.960 0.059 0.000 0.276 113 G C -1.246 173.662 174.900 0.014 0.000 1.198 113 G CA 0.255 45.376 45.100 0.036 0.000 0.876 113 G HN 0.058 8.395 8.290 0.079 0.000 0.478 114 T N 1.277 115.831 114.554 0.001 0.000 2.858 114 T HA 0.271 4.612 4.350 -0.015 0.000 0.285 114 T C -0.589 174.115 174.700 0.006 0.000 1.052 114 T CA -1.729 60.365 62.100 -0.009 0.000 1.009 114 T CB 2.494 71.343 68.868 -0.032 0.000 1.241 114 T HN -0.084 8.158 8.240 0.004 0.000 0.542 115 T N -3.151 111.408 114.554 0.009 0.000 2.788 115 T HA 0.080 4.442 4.350 0.019 0.000 0.280 115 T C 1.161 175.881 174.700 0.033 0.000 0.984 115 T CA -1.236 60.876 62.100 0.020 0.000 0.972 115 T CB 1.124 70.004 68.868 0.021 0.000 1.039 115 T HN -0.161 8.080 8.240 0.003 0.000 0.530 116 E N 0.486 120.709 120.200 0.039 0.000 2.268 116 E HA -0.297 4.084 4.350 0.051 0.000 0.195 116 E C 2.154 178.805 176.600 0.085 0.000 0.995 116 E CA 2.910 59.342 56.400 0.053 0.000 0.836 116 E CB -0.703 29.023 29.700 0.042 0.000 0.763 116 E HN 0.533 8.912 8.360 0.033 0.000 0.491 117 A N -1.043 121.828 122.820 0.085 0.000 2.066 117 A HA -0.071 4.323 4.320 0.123 0.000 0.218 117 A C 0.241 177.958 177.584 0.221 0.000 1.157 117 A CA 2.222 54.334 52.037 0.126 0.000 0.670 117 A CB -0.266 18.788 19.000 0.091 0.000 0.804 117 A HN 0.113 8.264 8.150 0.063 0.037 0.453 118 N N -3.798 114.988 118.700 0.142 0.000 2.203 118 N HA 0.136 4.984 4.740 0.180 0.000 0.207 118 N C 0.586 176.070 175.510 -0.043 0.000 1.130 118 N CA -0.048 53.046 53.050 0.075 0.000 0.861 118 N CB 0.908 39.388 38.487 -0.012 0.000 1.005 118 N HN -0.615 7.678 8.380 0.088 0.140 0.507 119 A N 1.292 124.150 122.820 0.062 0.000 1.940 119 A HA -0.183 4.122 4.320 -0.024 0.000 0.219 119 A C 1.613 179.199 177.584 0.002 0.000 1.176 119 A CA 3.320 55.371 52.037 0.024 0.000 0.631 119 A CB -0.472 18.569 19.000 0.069 0.000 0.814 119 A HN -0.663 7.375 8.150 0.123 0.186 0.446 120 W N -4.668 116.630 121.300 -0.005 0.000 2.364 120 W HA -0.259 4.397 4.660 -0.008 0.000 0.281 120 W C -0.201 176.313 176.519 -0.008 0.000 1.219 120 W CA 0.932 58.273 57.345 -0.007 0.000 1.220 120 W CB -1.012 28.444 29.460 -0.007 0.000 1.127 120 W HN -0.061 8.345 8.180 0.394 0.011 0.556 121 K N -1.199 118.559 120.400 -1.069 0.000 2.576 121 K HA 0.315 4.121 4.320 -0.857 0.000 0.209 121 K C 0.439 176.764 176.600 -0.458 0.000 1.049 121 K CA -0.176 55.510 56.287 -1.002 0.000 1.140 121 K CB -0.235 31.466 32.500 -1.331 0.000 0.871 121 K HN -0.738 6.729 8.250 -1.077 0.137 0.479 122 S N -0.342 115.188 115.700 -0.283 0.000 2.496 122 S HA -0.022 4.349 4.470 -0.164 0.000 0.224 122 S C -0.913 173.621 174.600 -0.111 0.000 0.996 122 S CA 1.897 60.001 58.200 -0.160 0.000 0.927 122 S CB 0.921 64.063 63.200 -0.097 0.000 0.774 122 S HN -0.225 7.778 8.310 -0.253 0.155 0.524 123 T N 4.307 118.795 114.554 -0.111 0.000 2.792 123 T HA 0.692 5.264 4.350 -0.045 -0.249 0.280 123 T C -0.674 173.987 174.700 -0.066 0.000 0.990 123 T CA 0.142 62.202 62.100 -0.067 0.000 0.960 123 T CB 2.067 70.904 68.868 -0.052 0.000 0.939 123 T HN -0.732 7.424 8.240 -0.140 0.000 0.439 124 L N 7.934 129.147 121.223 -0.017 0.000 2.344 124 L HA 0.357 4.659 4.340 -0.063 0.000 0.272 124 L C -1.586 175.244 176.870 -0.067 0.000 1.035 124 L CA -0.789 54.047 54.840 -0.007 0.000 0.807 124 L CB 2.207 44.334 42.059 0.114 0.000 1.237 124 L HN 0.754 8.994 8.230 0.016 0.000 0.442 125 V N 0.427 120.179 119.914 -0.269 0.000 2.823 125 V HA 0.861 4.827 4.120 -0.579 -0.193 0.312 125 V C -0.972 174.493 176.094 -1.048 0.000 1.072 125 V CA -2.441 59.526 62.300 -0.555 0.000 0.937 125 V CB 3.335 34.969 31.823 -0.316 0.000 1.013 125 V HN -0.055 8.002 8.190 -0.221 0.000 0.430 126 G N 4.904 112.620 108.800 -1.808 0.000 2.682 126 G HA2 0.311 3.728 3.960 -0.905 0.000 0.303 126 G HA3 0.311 2.904 3.960 -2.278 0.000 0.303 126 G C -3.317 170.778 174.900 -1.342 0.000 1.341 126 G CA 0.145 44.200 45.100 -1.741 0.000 0.784 126 G HN -0.068 7.161 8.290 -1.768 0.000 0.497 127 H N -4.342 114.393 119.070 -0.557 0.000 2.996 127 H HA 0.417 4.990 4.556 -0.110 -0.084 0.368 127 H C -1.944 173.544 175.328 0.268 0.000 1.185 127 H CA -1.494 54.491 56.048 -0.105 0.000 1.160 127 H CB 3.420 33.133 29.762 -0.081 0.000 1.820 127 H HN 0.065 7.755 8.280 -0.984 0.000 0.547 128 D N 0.444 121.127 120.400 0.472 0.000 2.732 128 D HA 0.233 4.995 4.640 0.202 0.000 0.229 128 D C -1.706 174.714 176.300 0.201 0.000 1.152 128 D CA -0.337 53.842 54.000 0.299 0.000 0.854 128 D CB 4.579 45.524 40.800 0.242 0.000 1.590 128 D HN 0.110 8.673 8.370 0.507 0.112 0.468 129 T N 3.334 117.901 114.554 0.021 0.000 2.841 129 T HA 0.630 5.309 4.350 0.259 -0.174 0.285 129 T C -1.177 173.528 174.700 0.008 0.000 0.991 129 T CA -0.273 61.903 62.100 0.127 0.000 0.966 129 T CB 1.489 70.445 68.868 0.145 0.000 0.962 129 T HN 0.186 8.390 8.240 -0.061 0.000 0.438 130 F N 7.009 127.144 119.950 0.309 0.000 2.480 130 F HA 0.881 5.852 4.527 0.382 -0.215 0.329 130 F C -0.126 175.974 175.800 0.501 0.000 1.091 130 F CA -1.574 56.662 58.000 0.394 0.000 0.972 130 F CB 3.336 42.576 39.000 0.400 0.000 1.150 130 F HN 0.765 9.394 8.300 0.549 0.000 0.467 131 T N -2.960 112.006 114.554 0.686 0.000 2.887 131 T HA 0.606 5.346 4.350 0.651 0.000 0.292 131 T C 0.575 175.476 174.700 0.336 0.000 1.087 131 T CA -2.324 60.093 62.100 0.528 0.000 1.009 131 T CB 3.402 72.448 68.868 0.297 0.000 1.203 131 T HN 0.681 9.291 8.240 0.617 0.000 0.518 132 K N 0.337 120.730 120.400 -0.012 0.000 2.400 132 K HA 0.222 4.388 4.320 -0.521 -0.158 0.194 132 K C -0.590 176.042 176.600 0.053 0.000 1.033 132 K CA 1.549 57.668 56.287 -0.280 0.000 1.021 132 K CB 0.591 32.808 32.500 -0.471 0.000 0.808 132 K HN 0.504 8.779 8.250 0.042 0.000 0.505 133 V N 0.000 119.968 119.914 0.090 0.000 2.409 133 V HA 0.000 4.090 4.120 -0.050 0.000 0.244 133 V CA 0.000 62.297 62.300 -0.004 0.000 1.235 133 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 133 V HN 0.000 8.193 8.190 0.105 0.059 0.556