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 1vwh_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 4.275 4.320 -0.076 0.000 0.244 13 A C 0.000 177.491 177.584 -0.156 0.000 1.274 13 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 13 A CB 0.000 19.017 19.000 0.028 0.000 0.831 14 E N 0.586 120.628 120.200 -0.264 0.000 3.995 14 E HA -0.551 3.420 4.350 -0.632 0.000 0.245 14 E C 0.958 177.420 176.600 -0.230 0.000 1.300 14 E CA 3.039 59.269 56.400 -0.283 0.000 2.077 14 E CB -0.762 28.959 29.700 0.035 0.000 1.830 14 E HN 0.415 8.587 8.360 -0.313 0.000 0.271 15 A N 0.877 123.634 122.820 -0.105 0.000 1.865 15 A HA -0.336 3.938 4.320 -0.076 0.000 0.217 15 A C 1.253 178.787 177.584 -0.083 0.000 1.191 15 A CA 2.335 54.329 52.037 -0.072 0.000 0.623 15 A CB -0.529 18.459 19.000 -0.021 0.000 0.826 15 A HN -0.127 7.986 8.150 -0.053 0.006 0.444 16 G N -3.082 105.677 108.800 -0.068 0.000 2.485 16 G HA2 -0.243 3.772 3.960 0.092 0.000 0.221 16 G HA3 -0.243 3.799 3.960 0.136 0.000 0.221 16 G C 0.450 175.317 174.900 -0.054 0.000 1.115 16 G CA 1.170 46.280 45.100 0.017 0.000 0.751 16 G HN -0.185 8.013 8.290 -0.051 0.062 0.567 17 I N -0.139 120.236 120.570 -0.324 0.000 2.400 17 I HA -0.137 4.050 4.170 0.029 0.000 0.248 17 I C 0.354 176.512 176.117 0.068 0.000 1.109 17 I CA 1.884 63.060 61.300 -0.207 0.000 1.425 17 I CB 0.392 38.046 38.000 -0.576 0.000 1.094 17 I HN -0.796 7.011 8.210 -0.390 0.169 0.425 18 T N 1.597 116.093 114.554 -0.097 0.000 2.905 18 T HA -0.340 4.165 4.350 -0.129 -0.233 0.299 18 T C 0.564 175.224 174.700 -0.067 0.000 1.024 18 T CA 2.971 65.013 62.100 -0.097 0.000 1.151 18 T CB -0.149 68.647 68.868 -0.119 0.000 0.987 18 T HN -0.577 7.557 8.240 -0.176 0.000 0.535 19 G N 6.156 114.892 108.800 -0.106 0.000 2.325 19 G HA2 -0.101 3.749 3.960 -0.183 0.000 0.285 19 G HA3 -0.101 3.697 3.960 -0.270 0.000 0.285 19 G C -2.907 171.844 174.900 -0.249 0.000 1.303 19 G CA -0.264 44.714 45.100 -0.204 0.000 0.970 19 G HN 0.278 8.493 8.290 -0.125 0.000 0.490 20 T N 2.129 116.451 114.554 -0.386 0.000 2.829 20 T HA 0.710 5.092 4.350 -0.250 -0.182 0.282 20 T C -0.630 173.681 174.700 -0.648 0.000 0.990 20 T CA 0.068 61.923 62.100 -0.408 0.000 1.028 20 T CB 1.682 70.338 68.868 -0.355 0.000 0.951 20 T HN 0.087 8.093 8.240 -0.390 0.000 0.460 21 W N 4.037 125.122 121.300 -0.359 0.000 2.915 21 W HA 0.527 5.294 4.660 -0.116 -0.178 0.337 21 W C -1.657 174.626 176.519 -0.394 0.000 1.102 21 W CA -1.422 55.781 57.345 -0.237 0.000 1.224 21 W CB 3.913 33.299 29.460 -0.122 0.000 1.416 21 W HN 0.655 8.787 8.180 -0.081 0.000 0.503 22 Y N -0.818 119.733 120.300 0.419 0.000 2.446 22 Y HA 0.792 5.674 4.550 0.242 -0.186 0.345 22 Y C -0.674 175.399 175.900 0.288 0.000 0.984 22 Y CA -1.891 56.379 58.100 0.284 0.000 1.058 22 Y CB 2.909 41.454 38.460 0.141 0.000 1.220 22 Y HN 0.936 9.542 8.280 0.544 0.000 0.455 23 N N 0.622 119.475 118.700 0.256 0.000 2.741 23 N HA 0.639 5.445 4.740 -0.202 -0.188 0.310 23 N C 2.034 177.546 175.510 0.003 0.000 1.295 23 N CA -2.734 50.233 53.050 -0.138 0.000 0.893 23 N CB 1.649 39.796 38.487 -0.566 0.000 1.247 23 N HN -0.051 8.496 8.380 0.278 0.000 0.596 24 Q N -1.267 118.506 119.800 -0.045 0.000 2.369 24 Q HA -0.073 4.286 4.340 0.032 0.000 0.206 24 Q C 0.291 176.308 176.000 0.030 0.000 0.963 24 Q CA 2.092 57.903 55.803 0.014 0.000 0.894 24 Q CB -0.758 27.990 28.738 0.017 0.000 0.965 24 Q HN 0.411 8.605 8.270 -0.128 0.000 0.475 25 L N -2.144 119.099 121.223 0.035 0.000 2.567 25 L HA 0.202 4.565 4.340 0.038 0.000 0.225 25 L C 0.904 177.812 176.870 0.063 0.000 1.119 25 L CA 0.027 54.895 54.840 0.048 0.000 0.871 25 L CB 0.779 42.870 42.059 0.054 0.000 1.036 25 L HN -0.549 7.850 8.230 0.021 -0.156 0.459 26 G N -2.440 106.410 108.800 0.083 0.000 2.184 26 G HA2 -0.305 3.713 3.960 0.095 0.000 0.206 26 G HA3 -0.305 3.700 3.960 0.074 0.000 0.206 26 G C -0.460 174.516 174.900 0.127 0.000 0.995 26 G CA -0.389 44.769 45.100 0.095 0.000 0.651 26 G HN -0.390 8.031 8.290 0.087 -0.078 0.511 27 S N 2.416 118.202 115.700 0.143 0.000 2.632 27 S HA 0.405 5.153 4.470 0.092 -0.222 0.271 27 S C -1.091 173.547 174.600 0.063 0.000 1.260 27 S CA 0.516 58.777 58.200 0.102 0.000 1.010 27 S CB 1.918 65.232 63.200 0.189 0.000 0.965 27 S HN -0.061 8.673 8.310 0.143 -0.338 0.534 28 T N 2.334 116.817 114.554 -0.118 0.000 2.909 28 T HA 1.032 5.529 4.350 -0.108 -0.212 0.299 28 T C -1.805 172.714 174.700 -0.302 0.000 1.073 28 T CA -0.511 61.498 62.100 -0.152 0.000 0.999 28 T CB 3.309 72.133 68.868 -0.074 0.000 1.098 28 T HN 0.484 8.597 8.240 -0.211 0.000 0.477 29 F N 3.889 123.555 119.950 -0.474 0.000 2.601 29 F HA 0.977 5.414 4.527 -0.422 -0.163 0.309 29 F C -3.406 172.187 175.800 -0.345 0.000 1.089 29 F CA -2.666 55.044 58.000 -0.482 0.000 0.940 29 F CB 3.777 42.374 39.000 -0.672 0.000 1.273 29 F HN 0.639 8.888 8.300 -0.085 0.000 0.450 30 I N 2.372 122.684 120.570 -0.430 0.000 2.465 30 I HA 0.669 4.855 4.170 -0.283 -0.186 0.291 30 I C -2.206 173.529 176.117 -0.635 0.000 1.014 30 I CA -1.343 59.722 61.300 -0.391 0.000 1.093 30 I CB 3.093 40.939 38.000 -0.256 0.000 1.267 30 I HN 0.624 8.567 8.210 -0.445 0.000 0.431 31 V N 7.010 126.581 119.914 -0.571 0.000 3.049 31 V HA 0.657 4.591 4.120 -0.564 -0.153 0.309 31 V C -2.421 173.474 176.094 -0.331 0.000 1.148 31 V CA -2.538 59.402 62.300 -0.600 0.000 0.990 31 V CB 5.287 36.503 31.823 -1.010 0.000 1.039 31 V HN 0.597 8.571 8.190 -0.361 0.000 0.430 32 T N 9.004 123.389 114.554 -0.280 0.000 2.812 32 T HA 0.279 4.523 4.350 -0.176 0.000 0.282 32 T C -2.126 172.467 174.700 -0.178 0.000 0.990 32 T CA -0.579 61.408 62.100 -0.189 0.000 0.960 32 T CB 1.890 70.674 68.868 -0.141 0.000 0.948 32 T HN 0.541 8.598 8.240 -0.305 0.000 0.438 33 A N 7.919 130.627 122.820 -0.185 0.000 2.253 33 A HA 0.803 5.232 4.320 -0.133 -0.189 0.316 33 A C -0.832 176.745 177.584 -0.012 0.000 1.327 33 A CA -1.998 49.918 52.037 -0.201 0.000 0.917 33 A CB 1.213 19.880 19.000 -0.555 0.000 1.162 33 A HN 0.325 8.367 8.150 -0.180 0.000 0.535 34 G N 1.545 110.413 108.800 0.114 0.000 2.476 34 G HA2 0.190 4.176 3.960 0.044 0.000 0.286 34 G HA3 0.190 4.191 3.960 0.070 0.000 0.286 34 G C 0.118 175.113 174.900 0.159 0.000 1.177 34 G CA -1.318 43.840 45.100 0.096 0.000 0.870 34 G HN 0.490 8.761 8.290 0.157 0.114 0.528 35 A N 1.877 124.748 122.820 0.085 0.000 1.958 35 A HA -0.274 4.268 4.320 0.095 -0.165 0.221 35 A C -0.116 177.485 177.584 0.028 0.000 1.178 35 A CA 2.500 54.578 52.037 0.068 0.000 0.642 35 A CB -0.633 18.385 19.000 0.031 0.000 0.816 35 A HN 0.598 8.779 8.150 0.052 0.000 0.453 36 D N -2.648 117.752 120.400 0.001 0.000 2.894 36 D HA 0.010 4.602 4.640 -0.081 0.000 0.248 36 D C -0.315 175.902 176.300 -0.139 0.000 1.291 36 D CA -0.480 53.483 54.000 -0.062 0.000 0.840 36 D CB -0.537 40.241 40.800 -0.037 0.000 1.044 36 D HN -0.287 8.079 8.370 0.020 0.016 0.484 37 G N -0.881 107.756 108.800 -0.272 0.000 2.176 37 G HA2 -0.441 2.636 3.960 -1.580 0.000 0.253 37 G HA3 -0.441 3.255 3.960 -0.440 0.000 0.253 37 G C -1.899 172.957 174.900 -0.073 0.000 0.979 37 G CA 0.410 45.182 45.100 -0.546 0.000 0.641 37 G HN -0.401 7.694 8.290 -0.194 0.078 0.530 38 A N -0.501 122.380 122.820 0.101 0.000 2.322 38 A HA 0.275 4.654 4.320 0.099 0.000 0.269 38 A C -1.416 176.282 177.584 0.189 0.000 1.094 38 A CA -1.144 50.969 52.037 0.127 0.000 0.807 38 A CB 1.886 20.922 19.000 0.059 0.000 1.047 38 A HN -0.353 7.801 8.150 0.084 0.048 0.487 39 L N 0.805 122.093 121.223 0.107 0.000 2.409 39 L HA 0.929 5.457 4.340 -0.061 -0.225 0.272 39 L C -0.515 176.316 176.870 -0.064 0.000 0.980 39 L CA -1.170 53.668 54.840 -0.004 0.000 0.826 39 L CB 3.333 45.393 42.059 0.001 0.000 1.268 39 L HN -0.122 8.165 8.230 0.094 0.000 0.407 40 T N 3.337 117.805 114.554 -0.142 0.000 2.933 40 T HA 0.720 5.147 4.350 -0.120 -0.149 0.305 40 T C -1.395 173.159 174.700 -0.243 0.000 1.092 40 T CA -1.773 60.240 62.100 -0.145 0.000 1.008 40 T CB 2.413 71.230 68.868 -0.086 0.000 1.102 40 T HN 0.369 8.504 8.240 -0.174 0.000 0.469 41 G N 4.229 112.878 108.800 -0.250 0.000 2.364 41 G HA2 0.446 4.259 3.960 -0.245 0.000 0.286 41 G HA3 0.446 4.335 3.960 -0.473 -0.213 0.286 41 G C -2.852 171.910 174.900 -0.231 0.000 1.241 41 G CA 0.920 45.835 45.100 -0.310 0.000 0.887 41 G HN -0.113 8.063 8.290 -0.189 0.000 0.484 42 T N -1.838 112.568 114.554 -0.246 0.000 2.909 42 T HA 0.795 5.280 4.350 -0.034 -0.155 0.299 42 T C -2.556 172.117 174.700 -0.045 0.000 1.073 42 T CA -1.777 60.267 62.100 -0.093 0.000 0.999 42 T CB 3.496 72.326 68.868 -0.062 0.000 1.098 42 T HN 0.093 8.128 8.240 -0.342 0.000 0.477 43 Y N 3.316 123.620 120.300 0.005 0.000 2.364 43 Y HA 0.391 5.142 4.550 0.115 -0.133 0.340 43 Y C -2.430 173.616 175.900 0.244 0.000 0.975 43 Y CA -1.684 56.496 58.100 0.133 0.000 1.089 43 Y CB 3.446 42.006 38.460 0.167 0.000 1.192 43 Y HN 0.919 9.352 8.280 0.255 0.000 0.454 44 E N 5.758 126.007 120.200 0.082 0.000 2.224 44 E HA 0.857 5.742 4.350 0.365 -0.317 0.265 44 E C 0.022 176.743 176.600 0.201 0.000 0.878 44 E CA -2.385 54.134 56.400 0.199 0.000 0.759 44 E CB 3.007 32.742 29.700 0.059 0.000 1.164 44 E HN 0.843 9.021 8.360 -0.304 0.000 0.414 45 S N 3.880 119.797 115.700 0.362 0.000 2.371 45 S HA -0.131 4.543 4.470 0.341 0.000 0.221 45 S C -0.471 174.225 174.600 0.160 0.000 1.036 45 S CA 3.174 61.553 58.200 0.297 0.000 0.965 45 S CB 0.873 64.248 63.200 0.292 0.000 0.845 45 S HN 0.275 8.854 8.310 0.449 0.000 0.475 46 A N -3.552 119.342 122.820 0.124 0.000 2.428 46 A HA 0.061 4.426 4.320 0.074 0.000 0.304 46 A C -1.204 176.409 177.584 0.048 0.000 1.085 46 A CA -0.160 51.922 52.037 0.076 0.000 0.605 46 A CB 0.746 19.783 19.000 0.062 0.000 1.393 46 A HN -1.029 7.204 8.150 0.139 0.000 0.541 47 V N -3.838 116.095 119.914 0.032 0.000 0.582 47 V HA -0.436 3.692 4.120 0.013 0.000 0.092 47 V C -0.159 175.940 176.094 0.008 0.000 1.874 47 V CA 2.504 64.812 62.300 0.014 0.000 3.418 47 V CB -0.420 31.404 31.823 0.002 0.000 0.707 47 V HN 0.541 8.752 8.190 0.035 0.000 0.732 48 G N 1.419 110.221 108.800 0.003 0.000 2.629 48 G HA2 -0.235 3.727 3.960 0.004 0.000 0.154 48 G HA3 -0.235 3.726 3.960 0.001 0.000 0.154 48 G C -1.637 173.246 174.900 -0.028 0.000 1.077 48 G CA -0.520 44.578 45.100 -0.003 0.000 0.831 48 G HN 0.097 8.332 8.290 0.003 0.057 0.495 49 N N -1.522 117.147 118.700 -0.052 0.000 2.284 49 N HA 0.267 4.958 4.740 -0.082 0.000 0.289 49 N C 0.115 175.530 175.510 -0.159 0.000 1.179 49 N CA -1.645 51.344 53.050 -0.102 0.000 0.774 49 N CB 1.567 39.982 38.487 -0.120 0.000 1.548 49 N HN -0.818 7.538 8.380 -0.041 0.000 0.473 50 A N 1.533 124.236 122.820 -0.195 0.000 1.986 50 A HA -0.333 3.899 4.320 -0.147 0.000 0.220 50 A C 1.540 178.873 177.584 -0.418 0.000 1.171 50 A CA 2.864 54.765 52.037 -0.226 0.000 0.640 50 A CB -0.491 18.422 19.000 -0.144 0.000 0.811 50 A HN 0.716 8.771 8.150 -0.158 0.000 0.451 51 E N -3.516 116.261 120.200 -0.705 0.000 2.331 51 E HA -0.306 3.296 4.350 -1.247 0.000 0.199 51 E C 0.667 177.045 176.600 -0.370 0.000 1.008 51 E CA 1.935 57.803 56.400 -0.887 0.000 0.843 51 E CB -0.531 28.650 29.700 -0.865 0.000 0.761 51 E HN 0.450 8.408 8.360 -0.621 0.030 0.507 52 S N -4.545 111.036 115.700 -0.197 0.000 2.574 52 S HA 0.235 4.810 4.470 0.177 0.000 0.242 52 S C -0.756 173.879 174.600 0.060 0.000 0.982 52 S CA -0.964 57.266 58.200 0.050 0.000 0.977 52 S CB 0.509 63.795 63.200 0.143 0.000 0.814 52 S HN -0.122 8.014 8.310 -0.191 0.060 0.464 53 R N 2.386 122.763 120.500 -0.205 0.000 2.294 53 R HA 0.601 5.240 4.340 0.135 -0.217 0.319 53 R C -1.079 175.027 176.300 -0.323 0.000 0.984 53 R CA -0.474 55.575 56.100 -0.085 0.000 0.861 53 R CB 1.965 32.217 30.300 -0.081 0.000 1.104 53 R HN -0.504 7.404 8.270 -0.310 0.176 0.451 54 Y N 1.869 122.248 120.300 0.131 0.000 2.499 54 Y HA 0.165 4.753 4.550 0.064 0.000 0.347 54 Y C -0.786 175.122 175.900 0.014 0.000 0.987 54 Y CA -1.492 56.651 58.100 0.071 0.000 1.044 54 Y CB 2.958 41.443 38.460 0.041 0.000 1.245 54 Y HN 0.775 9.286 8.280 0.384 0.000 0.461 55 V N 2.375 122.359 119.914 0.117 0.000 2.715 55 V HA -0.035 4.217 4.120 0.010 -0.126 0.299 55 V C -0.412 175.695 176.094 0.021 0.000 1.054 55 V CA 1.199 63.521 62.300 0.037 0.000 1.077 55 V CB -0.113 31.720 31.823 0.018 0.000 0.972 55 V HN 0.792 9.056 8.190 0.124 0.000 0.484 56 L N 2.145 123.359 121.223 -0.014 0.000 2.370 56 L HA 1.107 5.676 4.340 0.057 -0.195 0.266 56 L C -1.493 175.370 176.870 -0.012 0.000 1.002 56 L CA -1.698 53.148 54.840 0.011 0.000 0.818 56 L CB 4.042 46.084 42.059 -0.029 0.000 1.325 56 L HN 0.285 8.483 8.230 -0.054 0.000 0.418 57 T N 1.546 116.141 114.554 0.069 0.000 2.916 57 T HA 0.681 5.198 4.350 0.006 -0.164 0.305 57 T C -1.423 173.370 174.700 0.154 0.000 1.119 57 T CA -1.391 60.744 62.100 0.059 0.000 1.008 57 T CB 2.344 71.236 68.868 0.039 0.000 1.129 57 T HN -0.018 8.306 8.240 0.141 0.000 0.480 58 G N 2.833 111.720 108.800 0.145 0.000 2.570 58 G HA2 0.655 4.733 3.960 0.196 0.000 0.310 58 G HA3 0.655 4.976 3.960 0.331 -0.162 0.310 58 G C -2.904 172.100 174.900 0.174 0.000 1.266 58 G CA 0.697 45.927 45.100 0.216 0.000 0.825 58 G HN 0.389 8.734 8.290 0.091 0.000 0.483 59 R N -3.581 117.042 120.500 0.205 0.000 2.739 59 R HA 1.139 5.794 4.340 0.192 -0.200 0.271 59 R C -1.772 174.680 176.300 0.254 0.000 1.010 59 R CA -2.136 54.072 56.100 0.179 0.000 0.897 59 R CB 4.910 35.258 30.300 0.079 0.000 1.236 59 R HN 0.325 8.739 8.270 0.241 0.000 0.466 60 Y N -2.610 117.722 120.300 0.052 0.000 2.677 60 Y HA 0.664 5.390 4.550 0.074 -0.131 0.334 60 Y C -2.073 173.850 175.900 0.038 0.000 1.154 60 Y CA -2.648 55.484 58.100 0.053 0.000 1.070 60 Y CB 2.479 40.958 38.460 0.031 0.000 1.294 60 Y HN 0.475 8.763 8.280 0.013 0.000 0.475 61 D N 0.383 120.784 120.400 0.002 0.000 2.339 61 D HA 0.141 4.685 4.640 -0.160 0.000 0.241 61 D C 0.141 176.333 176.300 -0.180 0.000 1.183 61 D CA -1.421 52.523 54.000 -0.094 0.000 0.859 61 D CB 0.681 41.508 40.800 0.044 0.000 1.067 61 D HN 0.026 8.534 8.370 0.230 0.000 0.484 62 S N 3.055 118.532 115.700 -0.373 0.000 2.631 62 S HA -0.120 4.317 4.470 -0.055 0.000 0.217 62 S C -1.002 173.585 174.600 -0.022 0.000 0.958 62 S CA 0.446 58.510 58.200 -0.227 0.000 0.920 62 S CB -0.204 62.797 63.200 -0.332 0.000 0.776 62 S HN 0.223 8.308 8.310 -0.375 0.000 0.517 63 A N 1.259 124.074 122.820 -0.009 0.000 3.415 63 A HA 0.378 4.720 4.320 0.038 0.000 0.244 63 A C -3.362 174.246 177.584 0.040 0.000 0.988 63 A CA -2.289 49.760 52.037 0.021 0.000 0.991 63 A CB 0.207 19.207 19.000 -0.000 0.000 1.240 63 A HN -0.099 8.170 8.150 -0.028 -0.135 0.541 64 P HA 0.089 4.757 4.420 0.070 -0.206 0.272 64 P C -0.702 176.639 177.300 0.068 0.000 1.240 64 P CA -0.577 62.573 63.100 0.084 0.000 0.791 64 P CB 1.126 32.905 31.700 0.131 0.000 0.978 65 A N -0.804 122.053 122.820 0.062 0.000 2.425 65 A HA -0.151 4.194 4.320 0.043 0.000 0.242 65 A C 0.662 178.279 177.584 0.055 0.000 1.077 65 A CA 0.831 52.898 52.037 0.050 0.000 0.781 65 A CB 0.610 19.636 19.000 0.043 0.000 1.020 65 A HN 0.167 8.357 8.150 0.065 0.000 0.494 66 T N -3.356 111.225 114.554 0.045 0.000 3.148 66 T HA -0.118 4.263 4.350 0.052 0.000 0.253 66 T C 0.234 174.958 174.700 0.040 0.000 1.134 66 T CA 1.030 63.156 62.100 0.044 0.000 1.051 66 T CB -0.180 68.710 68.868 0.036 0.000 0.959 66 T HN 0.345 8.648 8.240 0.039 -0.040 0.525 67 D N 1.014 121.436 120.400 0.038 0.000 2.506 67 D HA -0.037 4.621 4.640 0.030 0.000 0.272 67 D C 0.328 176.650 176.300 0.036 0.000 1.214 67 D CA -1.683 52.337 54.000 0.032 0.000 1.067 67 D CB 0.137 40.954 40.800 0.028 0.000 1.117 67 D HN -0.598 7.907 8.370 0.040 -0.111 0.578 68 G N -2.117 106.701 108.800 0.030 0.000 3.102 68 G HA2 -0.048 3.932 3.960 0.033 0.000 0.264 68 G HA3 -0.048 3.925 3.960 0.023 0.000 0.264 68 G C -0.748 174.170 174.900 0.030 0.000 0.788 68 G CA -0.061 45.056 45.100 0.029 0.000 2.029 68 G HN 0.013 8.319 8.290 0.026 0.000 0.608 69 S N 1.832 117.556 115.700 0.040 0.000 2.607 69 S HA 0.089 4.580 4.470 0.035 0.000 0.303 69 S C -0.314 174.320 174.600 0.058 0.000 1.086 69 S CA -0.396 57.830 58.200 0.044 0.000 0.995 69 S CB 3.098 66.327 63.200 0.048 0.000 1.084 69 S HN -0.152 8.132 8.310 0.048 0.055 0.507 70 G N 0.083 108.919 108.800 0.060 0.000 2.580 70 G HA2 0.278 4.353 3.960 0.069 0.000 0.278 70 G HA3 0.278 4.437 3.960 0.067 -0.158 0.278 70 G C -1.287 173.693 174.900 0.133 0.000 1.212 70 G CA -0.527 44.622 45.100 0.082 0.000 0.939 70 G HN -0.003 8.318 8.290 0.051 0.000 0.513 71 T N 3.811 118.488 114.554 0.205 0.000 2.743 71 T HA 0.111 4.572 4.350 0.185 0.000 0.292 71 T C -0.747 174.078 174.700 0.208 0.000 0.972 71 T CA 0.533 62.772 62.100 0.231 0.000 0.967 71 T CB 1.145 70.207 68.868 0.323 0.000 0.926 71 T HN 0.305 8.578 8.240 0.241 0.112 0.459 72 A N 8.696 131.614 122.820 0.164 0.000 2.440 72 A HA 0.504 5.083 4.320 0.139 -0.177 0.251 72 A C -1.431 176.263 177.584 0.184 0.000 1.089 72 A CA -0.476 51.648 52.037 0.145 0.000 0.779 72 A CB 0.840 19.901 19.000 0.101 0.000 1.022 72 A HN 0.721 8.957 8.150 0.143 0.000 0.492 73 L N -4.283 117.054 121.223 0.189 0.000 2.765 73 L HA 1.048 5.654 4.340 0.231 -0.127 0.263 73 L C -1.537 175.461 176.870 0.214 0.000 1.068 73 L CA -1.373 53.610 54.840 0.239 0.000 0.903 73 L CB 3.822 46.062 42.059 0.302 0.000 1.512 73 L HN 0.360 8.688 8.230 0.164 0.000 0.404 74 G N -3.992 104.970 108.800 0.269 0.000 2.632 74 G HA2 0.728 4.882 3.960 0.057 0.000 0.292 74 G HA3 0.728 4.754 3.960 0.109 0.000 0.292 74 G C -3.407 171.707 174.900 0.356 0.000 1.465 74 G CA 0.785 45.998 45.100 0.188 0.000 0.824 74 G HN -0.063 8.419 8.290 0.319 0.000 0.509 75 W N -2.856 118.559 121.300 0.192 0.000 3.074 75 W HA 0.789 5.636 4.660 0.112 -0.119 0.332 75 W C -3.046 173.617 176.519 0.241 0.000 1.253 75 W CA -1.878 55.565 57.345 0.163 0.000 1.180 75 W CB 2.251 31.786 29.460 0.126 0.000 1.445 75 W HN 0.492 8.576 8.180 -0.160 0.000 0.573 76 T N 1.511 116.277 114.554 0.353 0.000 2.893 76 T HA 0.899 5.567 4.350 0.193 -0.202 0.291 76 T C -1.409 173.405 174.700 0.190 0.000 1.028 76 T CA -0.510 61.717 62.100 0.212 0.000 0.995 76 T CB 3.065 71.984 68.868 0.084 0.000 1.051 76 T HN 0.667 9.130 8.240 0.371 0.000 0.470 77 V N 4.469 124.399 119.914 0.027 0.000 2.577 77 V HA 0.415 4.590 4.120 -0.171 -0.158 0.303 77 V C -2.253 173.483 176.094 -0.597 0.000 1.042 77 V CA -1.427 60.694 62.300 -0.300 0.000 0.872 77 V CB 3.839 35.276 31.823 -0.644 0.000 0.998 77 V HN 0.509 8.702 8.190 0.005 0.000 0.423 78 A N 5.073 127.624 122.820 -0.448 0.000 2.276 78 A HA 0.531 4.757 4.320 -0.330 -0.103 0.316 78 A C -0.126 177.210 177.584 -0.413 0.000 1.229 78 A CA -1.652 50.190 52.037 -0.325 0.000 0.851 78 A CB 1.617 20.559 19.000 -0.096 0.000 1.165 78 A HN 0.667 8.644 8.150 -0.288 0.000 0.513 79 W N 5.723 126.968 121.300 -0.092 0.000 1.564 79 W HA 0.005 4.326 4.660 -0.564 0.000 0.448 79 W C -1.693 174.852 176.519 0.044 0.000 0.601 79 W CA -0.744 56.462 57.345 -0.232 0.000 2.326 79 W CB -0.796 28.482 29.460 -0.304 0.000 1.355 79 W HN 0.883 8.972 8.180 -0.152 0.000 0.382 80 K N 1.045 121.661 120.400 0.359 0.000 2.482 80 K HA 0.781 5.504 4.320 0.298 -0.224 0.251 80 K C -1.754 175.039 176.600 0.323 0.000 0.936 80 K CA -1.228 55.240 56.287 0.301 0.000 0.791 80 K CB 3.159 35.738 32.500 0.132 0.000 1.213 80 K HN -0.292 8.057 8.250 0.303 0.083 0.428 81 N N 4.633 123.466 118.700 0.221 0.000 3.522 81 N HA 0.205 4.983 4.740 0.063 0.000 0.328 81 N C -0.921 174.641 175.510 0.086 0.000 1.623 81 N CA -0.841 52.252 53.050 0.071 0.000 0.812 81 N CB 0.543 38.921 38.487 -0.182 0.000 2.008 81 N HN 0.650 9.168 8.380 0.230 0.000 0.601 82 N N -1.169 117.588 118.700 0.094 0.000 2.461 82 N HA 0.042 4.743 4.740 -0.065 0.000 0.188 82 N C -0.479 174.897 175.510 -0.223 0.000 1.134 82 N CA 1.340 54.348 53.050 -0.070 0.000 0.878 82 N CB 0.178 38.541 38.487 -0.208 0.000 0.972 82 N HN 0.275 8.737 8.380 0.136 0.000 0.456 83 Y N -2.724 117.567 120.300 -0.015 0.000 2.432 83 Y HA 0.032 4.586 4.550 0.008 0.000 0.252 83 Y C -0.995 174.927 175.900 0.037 0.000 1.097 83 Y CA 0.074 58.177 58.100 0.006 0.000 1.250 83 Y CB 1.889 40.347 38.460 -0.004 0.000 1.245 83 Y HN -0.243 8.551 8.280 0.370 -0.292 0.522 84 R N -0.573 120.067 120.500 0.233 0.000 2.643 84 R HA 0.219 4.644 4.340 0.143 0.000 0.269 84 R C -2.776 173.624 176.300 0.168 0.000 1.037 84 R CA -0.645 55.575 56.100 0.199 0.000 0.894 84 R CB 3.649 34.114 30.300 0.275 0.000 1.238 84 R HN -0.279 8.334 8.270 0.230 -0.205 0.459 85 N N 3.658 122.394 118.700 0.059 0.000 2.549 85 N HA 0.315 5.185 4.740 0.010 -0.124 0.281 85 N C -1.105 174.279 175.510 -0.211 0.000 1.084 85 N CA 0.171 53.167 53.050 -0.089 0.000 0.862 85 N CB 1.904 40.264 38.487 -0.212 0.000 1.333 85 N HN 0.445 8.850 8.380 0.042 0.000 0.523 86 A N 4.930 127.694 122.820 -0.094 0.000 2.423 86 A HA 0.201 4.486 4.320 -0.058 0.000 0.246 86 A C 0.076 177.650 177.584 -0.016 0.000 1.278 86 A CA -0.953 51.050 52.037 -0.056 0.000 0.903 86 A CB 0.407 19.399 19.000 -0.013 0.000 0.997 86 A HN 1.097 9.159 8.150 0.030 0.106 0.510 87 H N -0.406 118.724 119.070 0.100 0.000 2.415 87 H HA -0.374 4.229 4.556 0.078 0.000 0.323 87 H C -1.929 173.445 175.328 0.077 0.000 1.035 87 H CA 1.258 57.351 56.048 0.075 0.000 1.098 87 H CB -2.865 26.923 29.762 0.044 0.000 1.575 87 H HN -0.133 8.036 8.280 -0.493 -0.184 0.387 88 S N -5.195 110.621 115.700 0.194 0.000 2.611 88 S HA 0.779 5.437 4.470 0.141 -0.103 0.268 88 S C -2.548 172.204 174.600 0.254 0.000 1.156 88 S CA -0.558 57.762 58.200 0.200 0.000 0.817 88 S CB 4.131 67.428 63.200 0.163 0.000 1.122 88 S HN -0.458 7.962 8.310 0.185 0.000 0.466 89 A N -1.582 121.348 122.820 0.183 0.000 2.549 89 A HA 0.805 5.165 4.320 -0.163 -0.138 0.297 89 A C -2.361 175.246 177.584 0.038 0.000 1.061 89 A CA -0.388 51.660 52.037 0.018 0.000 0.690 89 A CB 3.979 22.960 19.000 -0.032 0.000 1.287 89 A HN 0.667 8.904 8.150 0.145 0.000 0.402 90 T N 3.525 118.031 114.554 -0.079 0.000 2.841 90 T HA 1.020 5.474 4.350 -0.167 -0.205 0.283 90 T C -0.752 173.766 174.700 -0.304 0.000 1.000 90 T CA -1.040 60.919 62.100 -0.234 0.000 0.977 90 T CB 2.579 71.175 68.868 -0.454 0.000 0.979 90 T HN 0.750 8.837 8.240 -0.255 0.000 0.446 91 T N 2.136 116.508 114.554 -0.304 0.000 2.841 91 T HA 0.814 5.337 4.350 -0.031 -0.191 0.283 91 T C -1.384 173.152 174.700 -0.273 0.000 1.000 91 T CA -2.099 59.904 62.100 -0.161 0.000 0.977 91 T CB 2.689 71.513 68.868 -0.074 0.000 0.979 91 T HN 0.567 8.641 8.240 -0.276 0.000 0.446 92 W N 4.314 125.319 121.300 -0.491 0.000 2.587 92 W HA 0.495 5.191 4.660 -0.193 -0.152 0.324 92 W C -1.323 174.899 176.519 -0.494 0.000 1.040 92 W CA -1.410 55.596 57.345 -0.564 0.000 1.222 92 W CB 3.570 32.259 29.460 -1.285 0.000 1.381 92 W HN 0.863 8.960 8.180 -0.139 0.000 0.483 93 S N 1.949 117.616 115.700 -0.054 0.000 2.502 93 S HA 0.773 5.372 4.470 -0.012 -0.136 0.304 93 S C -1.016 173.607 174.600 0.037 0.000 1.097 93 S CA -1.607 56.585 58.200 -0.013 0.000 1.045 93 S CB 1.610 64.806 63.200 -0.006 0.000 1.019 93 S HN 0.555 8.866 8.310 0.002 0.000 0.481 94 G N 4.131 112.974 108.800 0.072 0.000 2.435 94 G HA2 0.576 4.585 3.960 0.083 0.000 0.296 94 G HA3 0.576 4.796 3.960 0.129 -0.183 0.296 94 G C -3.486 171.489 174.900 0.125 0.000 1.240 94 G CA 0.840 46.003 45.100 0.104 0.000 0.872 94 G HN 0.533 8.874 8.290 0.084 0.000 0.480 95 Q N -3.271 116.608 119.800 0.130 0.000 2.379 95 Q HA 0.850 5.475 4.340 0.172 -0.182 0.278 95 Q C -2.440 173.650 176.000 0.151 0.000 1.068 95 Q CA -2.103 53.786 55.803 0.144 0.000 0.816 95 Q CB 4.452 33.254 28.738 0.106 0.000 1.387 95 Q HN 0.091 8.436 8.270 0.125 0.000 0.413 96 Y N 3.083 123.406 120.300 0.038 0.000 2.323 96 Y HA 0.609 5.300 4.550 -0.044 -0.167 0.331 96 Y C -2.304 173.627 175.900 0.052 0.000 1.092 96 Y CA -1.509 56.591 58.100 0.001 0.000 1.150 96 Y CB 2.486 40.933 38.460 -0.023 0.000 1.200 96 Y HN 0.564 8.913 8.280 0.293 0.108 0.472 97 V N 7.336 126.867 119.914 -0.640 0.000 2.483 97 V HA 0.314 4.240 4.120 -0.325 0.000 0.297 97 V C -1.010 174.620 176.094 -0.773 0.000 1.027 97 V CA -1.246 60.765 62.300 -0.482 0.000 0.855 97 V CB 3.446 35.156 31.823 -0.189 0.000 0.995 97 V HN 0.339 8.145 8.190 -0.639 0.000 0.424 98 G N 4.098 112.548 108.800 -0.584 0.000 2.583 98 G HA2 0.440 4.224 3.960 -0.294 0.000 0.280 98 G HA3 0.440 4.378 3.960 -0.037 0.000 0.280 98 G C -0.748 174.115 174.900 -0.062 0.000 1.376 98 G CA -1.512 43.432 45.100 -0.260 0.000 1.043 98 G HN 0.176 8.249 8.290 -0.361 0.000 0.538 99 G N -2.368 106.447 108.800 0.026 0.000 2.466 99 G HA2 -0.272 3.711 3.960 0.038 0.000 0.316 99 G HA3 -0.272 3.695 3.960 0.012 0.000 0.316 99 G C -0.077 174.843 174.900 0.034 0.000 1.270 99 G CA -0.876 44.241 45.100 0.028 0.000 0.982 99 G HN -0.187 8.149 8.290 0.076 0.000 0.506 100 A N 0.236 123.072 122.820 0.026 0.000 1.881 100 A HA -0.194 4.140 4.320 0.024 0.000 0.219 100 A C 0.478 178.081 177.584 0.031 0.000 1.215 100 A CA 2.123 54.175 52.037 0.025 0.000 0.648 100 A CB 0.002 19.014 19.000 0.019 0.000 0.832 100 A HN 0.215 8.379 8.150 0.022 0.000 0.455 101 E N -0.875 119.345 120.200 0.033 0.000 2.400 101 E HA 0.141 4.525 4.350 0.057 0.000 0.232 101 E C -2.178 174.461 176.600 0.065 0.000 0.988 101 E CA -1.645 54.786 56.400 0.051 0.000 0.823 101 E CB -0.906 28.821 29.700 0.044 0.000 1.246 101 E HN 0.139 8.514 8.360 0.026 0.000 0.441 102 A N 4.390 127.269 122.820 0.098 0.000 2.371 102 A HA 0.529 5.005 4.320 -0.012 -0.164 0.257 102 A C -0.661 177.101 177.584 0.295 0.000 1.089 102 A CA -0.262 51.853 52.037 0.130 0.000 0.794 102 A CB 1.414 20.559 19.000 0.242 0.000 1.029 102 A HN 0.315 8.521 8.150 0.094 0.000 0.488 103 R N -1.830 118.785 120.500 0.192 0.000 2.716 103 R HA 0.799 5.604 4.340 0.523 -0.151 0.271 103 R C -2.601 173.711 176.300 0.020 0.000 1.028 103 R CA -1.628 54.616 56.100 0.241 0.000 0.883 103 R CB 3.060 33.462 30.300 0.169 0.000 1.250 103 R HN 0.426 8.674 8.270 -0.037 0.000 0.465 104 I N 0.234 120.811 120.570 0.012 0.000 2.439 104 I HA 0.573 4.969 4.170 0.017 -0.216 0.285 104 I C -1.798 174.428 176.117 0.181 0.000 1.021 104 I CA -1.228 60.073 61.300 0.002 0.000 1.091 104 I CB 2.607 40.465 38.000 -0.235 0.000 1.242 104 I HN 0.437 8.728 8.210 0.135 0.000 0.439 105 N N 8.703 127.493 118.700 0.150 0.000 2.425 105 N HA 0.521 5.367 4.740 0.176 0.000 0.268 105 N C -0.969 174.656 175.510 0.192 0.000 0.991 105 N CA 0.015 53.159 53.050 0.157 0.000 0.931 105 N CB 2.414 40.955 38.487 0.091 0.000 1.130 105 N HN 0.273 8.719 8.380 0.111 0.000 0.493 106 T N 0.130 114.836 114.554 0.254 0.000 2.865 106 T HA 0.728 5.323 4.350 0.177 -0.138 0.294 106 T C -1.155 173.679 174.700 0.223 0.000 1.119 106 T CA -2.373 59.885 62.100 0.262 0.000 1.007 106 T CB 3.580 72.712 68.868 0.440 0.000 1.225 106 T HN 0.740 9.144 8.240 0.272 0.000 0.515 107 Q N 0.282 120.163 119.800 0.134 0.000 2.372 107 Q HA 0.701 5.144 4.340 -0.056 -0.136 0.273 107 Q C -1.759 174.216 176.000 -0.041 0.000 1.078 107 Q CA -0.825 54.966 55.803 -0.020 0.000 0.806 107 Q CB 4.973 33.678 28.738 -0.054 0.000 1.332 107 Q HN 0.252 8.593 8.270 0.119 0.000 0.435 108 W N -1.080 120.118 121.300 -0.170 0.000 2.962 108 W HA 0.959 5.530 4.660 -0.383 -0.142 0.341 108 W C -2.886 173.447 176.519 -0.310 0.000 1.155 108 W CA -2.928 54.182 57.345 -0.392 0.000 1.165 108 W CB 3.357 32.307 29.460 -0.851 0.000 1.435 108 W HN 1.068 8.682 8.180 -0.756 0.112 0.546 109 L N -0.202 121.045 121.223 0.041 0.000 2.381 109 L HA 0.764 5.294 4.340 -0.002 -0.192 0.274 109 L C -1.846 175.074 176.870 0.083 0.000 0.988 109 L CA -1.218 53.640 54.840 0.031 0.000 0.824 109 L CB 2.810 44.844 42.059 -0.043 0.000 1.263 109 L HN 0.514 8.709 8.230 -0.058 0.000 0.410 110 L N 5.620 126.943 121.223 0.167 0.000 2.319 110 L HA 0.793 5.303 4.340 0.005 -0.168 0.281 110 L C -1.963 174.929 176.870 0.037 0.000 1.005 110 L CA -1.774 53.106 54.840 0.068 0.000 0.828 110 L CB 3.088 45.180 42.059 0.056 0.000 1.227 110 L HN 0.958 9.206 8.230 0.207 0.106 0.415 111 T N 10.763 125.330 114.554 0.022 0.000 2.797 111 T HA 0.717 5.293 4.350 -0.008 -0.231 0.279 111 T C -0.539 174.176 174.700 0.024 0.000 0.991 111 T CA -0.485 61.620 62.100 0.008 0.000 0.979 111 T CB 1.937 70.807 68.868 0.003 0.000 0.943 111 T HN 0.888 9.145 8.240 0.027 0.000 0.444 112 S N 6.179 121.881 115.700 0.005 0.000 2.593 112 S HA 0.429 5.064 4.470 0.061 -0.128 0.297 112 S C -0.248 174.362 174.600 0.017 0.000 1.112 112 S CA -0.582 57.633 58.200 0.024 0.000 1.043 112 S CB 2.699 65.896 63.200 -0.005 0.000 1.054 112 S HN 0.293 8.591 8.310 -0.021 0.000 0.516 113 G N 3.394 112.219 108.800 0.041 0.000 2.380 113 G HA2 -0.018 3.948 3.960 0.009 0.000 0.262 113 G HA3 -0.018 3.953 3.960 0.017 0.000 0.262 113 G C -0.551 174.338 174.900 -0.019 0.000 1.243 113 G CA 0.036 45.143 45.100 0.013 0.000 0.865 113 G HN 0.017 8.358 8.290 0.086 0.000 0.513 114 T N 1.694 116.231 114.554 -0.028 0.000 2.773 114 T HA 0.189 4.514 4.350 -0.043 0.000 0.278 114 T C -0.456 174.228 174.700 -0.026 0.000 1.011 114 T CA -2.334 59.743 62.100 -0.038 0.000 1.014 114 T CB 1.973 70.808 68.868 -0.056 0.000 1.293 114 T HN -0.272 7.956 8.240 -0.020 0.000 0.554 115 T N -2.808 111.735 114.554 -0.019 0.000 2.847 115 T HA 0.092 4.437 4.350 -0.008 0.000 0.279 115 T C 0.970 175.678 174.700 0.014 0.000 0.984 115 T CA -1.295 60.803 62.100 -0.003 0.000 0.988 115 T CB 1.430 70.299 68.868 0.001 0.000 1.040 115 T HN -0.129 8.098 8.240 -0.022 0.000 0.528 116 E N 0.616 120.830 120.200 0.023 0.000 2.265 116 E HA -0.273 4.099 4.350 0.037 0.000 0.196 116 E C 1.999 178.644 176.600 0.074 0.000 0.996 116 E CA 2.866 59.290 56.400 0.040 0.000 0.832 116 E CB -0.578 29.142 29.700 0.034 0.000 0.756 116 E HN 0.512 8.883 8.360 0.017 0.000 0.491 117 A N -1.701 121.166 122.820 0.078 0.000 2.067 117 A HA -0.023 4.379 4.320 0.135 0.000 0.217 117 A C 0.373 178.092 177.584 0.224 0.000 1.156 117 A CA 2.074 54.190 52.037 0.131 0.000 0.683 117 A CB -0.104 18.956 19.000 0.099 0.000 0.808 117 A HN 0.056 8.201 8.150 0.055 0.039 0.455 118 N N -3.273 115.496 118.700 0.116 0.000 2.230 118 N HA 0.110 4.878 4.740 0.046 0.000 0.202 118 N C 0.687 176.121 175.510 -0.127 0.000 1.119 118 N CA -0.073 52.977 53.050 -0.001 0.000 0.851 118 N CB 0.610 39.066 38.487 -0.052 0.000 0.990 118 N HN -0.588 7.694 8.380 0.067 0.138 0.497 119 A N 1.324 124.148 122.820 0.007 0.000 1.933 119 A HA -0.134 4.154 4.320 -0.053 0.000 0.218 119 A C 1.748 179.314 177.584 -0.030 0.000 1.175 119 A CA 3.184 55.214 52.037 -0.011 0.000 0.628 119 A CB -0.410 18.619 19.000 0.049 0.000 0.814 119 A HN -0.652 7.369 8.150 0.089 0.182 0.444 120 W N -4.774 116.523 121.300 -0.004 0.000 2.359 120 W HA -0.244 4.412 4.660 -0.007 0.000 0.275 120 W C -0.296 176.219 176.519 -0.007 0.000 1.217 120 W CA 1.004 58.345 57.345 -0.006 0.000 1.196 120 W CB -1.116 28.340 29.460 -0.007 0.000 1.129 120 W HN 0.072 8.439 8.180 0.327 0.009 0.566 121 K N -2.175 117.642 120.400 -0.972 0.000 2.618 121 K HA 0.389 4.301 4.320 -0.679 0.000 0.207 121 K C 0.339 176.669 176.600 -0.451 0.000 1.058 121 K CA -0.482 55.248 56.287 -0.929 0.000 1.086 121 K CB -0.040 31.564 32.500 -1.493 0.000 0.827 121 K HN -0.798 6.685 8.250 -1.027 0.151 0.481 122 S N -0.041 115.489 115.700 -0.282 0.000 2.528 122 S HA -0.025 4.343 4.470 -0.170 0.000 0.219 122 S C -1.131 173.408 174.600 -0.102 0.000 0.985 122 S CA 1.720 59.823 58.200 -0.161 0.000 0.914 122 S CB 0.955 64.093 63.200 -0.104 0.000 0.776 122 S HN -0.217 7.788 8.310 -0.252 0.154 0.526 123 T N 4.617 119.113 114.554 -0.096 0.000 2.812 123 T HA 0.714 5.297 4.350 -0.033 -0.252 0.282 123 T C -0.607 174.061 174.700 -0.053 0.000 0.990 123 T CA 0.129 62.197 62.100 -0.053 0.000 0.960 123 T CB 2.280 71.124 68.868 -0.040 0.000 0.948 123 T HN -0.754 7.373 8.240 -0.122 0.040 0.438 124 L N 5.130 126.347 121.223 -0.011 0.000 2.344 124 L HA 0.465 4.770 4.340 -0.058 0.000 0.272 124 L C -1.330 175.490 176.870 -0.084 0.000 1.035 124 L CA -0.836 53.999 54.840 -0.008 0.000 0.807 124 L CB 2.521 44.653 42.059 0.120 0.000 1.237 124 L HN 0.766 9.011 8.230 0.024 0.000 0.442 125 V N 1.001 120.743 119.914 -0.288 0.000 2.735 125 V HA 1.027 4.971 4.120 -0.639 -0.207 0.310 125 V C -1.415 174.065 176.094 -1.022 0.000 1.061 125 V CA -2.753 59.199 62.300 -0.580 0.000 0.913 125 V CB 3.229 34.856 31.823 -0.326 0.000 1.005 125 V HN 0.014 8.066 8.190 -0.230 0.000 0.428 126 G N 4.977 112.739 108.800 -1.729 0.000 2.619 126 G HA2 0.260 3.715 3.960 -0.841 0.000 0.305 126 G HA3 0.260 2.982 3.960 -2.063 0.000 0.305 126 G C -3.308 170.804 174.900 -1.313 0.000 1.330 126 G CA 0.293 44.416 45.100 -1.628 0.000 0.789 126 G HN 0.039 7.298 8.290 -1.720 0.000 0.487 127 H N -4.239 114.493 119.070 -0.563 0.000 2.980 127 H HA 0.421 4.953 4.556 -0.169 -0.077 0.367 127 H C -1.987 173.489 175.328 0.246 0.000 1.206 127 H CA -1.584 54.385 56.048 -0.132 0.000 1.126 127 H CB 3.448 33.147 29.762 -0.105 0.000 1.838 127 H HN 0.064 7.742 8.280 -1.003 0.000 0.552 128 D N -0.670 119.972 120.400 0.403 0.000 2.753 128 D HA 0.283 5.123 4.640 0.133 -0.121 0.224 128 D C -1.884 174.456 176.300 0.067 0.000 1.213 128 D CA 0.234 54.355 54.000 0.201 0.000 0.833 128 D CB 5.261 46.112 40.800 0.085 0.000 1.607 128 D HN 0.087 8.706 8.370 0.415 0.000 0.463 129 T N 3.946 118.437 114.554 -0.104 0.000 2.824 129 T HA 0.788 5.393 4.350 0.113 -0.187 0.282 129 T C -1.044 173.558 174.700 -0.162 0.000 0.993 129 T CA -0.327 61.768 62.100 -0.008 0.000 0.967 129 T CB 1.946 70.853 68.868 0.064 0.000 0.960 129 T HN 0.028 8.431 8.240 -0.151 -0.253 0.441 130 F N 7.084 127.116 119.950 0.137 0.000 2.480 130 F HA 0.897 5.766 4.527 0.213 -0.214 0.329 130 F C -0.329 175.695 175.800 0.374 0.000 1.091 130 F CA -1.662 56.453 58.000 0.191 0.000 0.972 130 F CB 3.575 42.581 39.000 0.009 0.000 1.150 130 F HN 0.998 9.393 8.300 0.336 0.107 0.467 131 T N -2.655 112.295 114.554 0.660 0.000 2.864 131 T HA 0.619 5.403 4.350 0.723 0.000 0.289 131 T C 0.373 175.337 174.700 0.441 0.000 1.082 131 T CA -2.161 60.281 62.100 0.570 0.000 1.009 131 T CB 3.352 72.399 68.868 0.298 0.000 1.234 131 T HN 0.640 9.240 8.240 0.599 0.000 0.526 132 K N 0.657 121.108 120.400 0.084 0.000 2.400 132 K HA 0.202 4.477 4.320 -0.357 -0.169 0.194 132 K C -0.532 176.146 176.600 0.130 0.000 1.033 132 K CA 2.093 58.282 56.287 -0.162 0.000 1.021 132 K CB 0.552 32.827 32.500 -0.374 0.000 0.808 132 K HN 0.483 8.801 8.250 0.114 0.000 0.505 133 V N 0.000 119.995 119.914 0.135 0.000 2.409 133 V HA 0.000 4.102 4.120 -0.030 0.000 0.244 133 V CA 0.000 62.310 62.300 0.017 0.000 1.235 133 V CB 0.000 31.831 31.823 0.013 0.000 1.184 133 V HN 0.000 8.214 8.190 0.149 0.065 0.556