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 1vwj_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 4.446 4.320 0.210 0.000 0.244 13 A C 0.000 177.665 177.584 0.134 0.000 1.274 13 A CA 0.000 52.167 52.037 0.216 0.000 0.836 13 A CB 0.000 19.072 19.000 0.120 0.000 0.831 14 E N 1.589 121.844 120.200 0.092 0.000 2.365 14 E HA -0.506 3.884 4.350 0.066 0.000 0.252 14 E C 1.140 177.671 176.600 -0.116 0.000 1.017 14 E CA 3.287 59.705 56.400 0.030 0.000 1.051 14 E CB -0.115 29.625 29.700 0.066 0.000 0.978 14 E HN 0.443 8.871 8.360 0.113 0.000 0.523 15 A N -2.259 120.510 122.820 -0.086 0.000 2.840 15 A HA 0.067 4.231 4.320 -0.260 0.000 0.269 15 A C -0.100 177.389 177.584 -0.158 0.000 1.439 15 A CA -0.077 51.865 52.037 -0.157 0.000 1.083 15 A CB -1.458 17.490 19.000 -0.086 0.000 1.019 15 A HN -0.021 8.112 8.150 -0.028 0.000 0.607 16 G N -1.829 106.859 108.800 -0.186 0.000 2.838 16 G HA2 0.142 4.078 3.960 -0.039 0.000 0.210 16 G HA3 0.142 4.204 3.960 0.065 -0.063 0.210 16 G C 0.257 175.077 174.900 -0.133 0.000 1.153 16 G CA 0.113 45.170 45.100 -0.071 0.000 0.778 16 G HN 0.093 8.100 8.290 -0.249 0.133 0.539 17 I N -0.196 120.116 120.570 -0.429 0.000 2.439 17 I HA -0.337 3.774 4.170 -0.099 0.000 0.251 17 I C -0.566 175.500 176.117 -0.086 0.000 1.139 17 I CA 2.395 63.483 61.300 -0.352 0.000 1.438 17 I CB -0.126 37.461 38.000 -0.689 0.000 1.085 17 I HN -1.009 6.829 8.210 -0.526 0.057 0.427 18 T N 0.072 114.513 114.554 -0.188 0.000 2.928 18 T HA -0.177 4.232 4.350 -0.212 -0.187 0.305 18 T C 0.298 174.899 174.700 -0.165 0.000 1.035 18 T CA 3.034 65.028 62.100 -0.177 0.000 1.145 18 T CB 0.195 68.961 68.868 -0.170 0.000 0.963 18 T HN -0.632 7.339 8.240 -0.238 0.126 0.545 19 G N 4.395 113.061 108.800 -0.223 0.000 2.325 19 G HA2 -0.198 3.598 3.960 -0.274 0.000 0.285 19 G HA3 -0.198 3.515 3.960 -0.411 0.000 0.285 19 G C -3.131 171.516 174.900 -0.422 0.000 1.303 19 G CA -0.019 44.882 45.100 -0.332 0.000 0.970 19 G HN 0.129 8.279 8.290 -0.234 0.000 0.490 20 T N 2.274 116.510 114.554 -0.529 0.000 2.771 20 T HA 0.784 5.031 4.350 -0.473 -0.180 0.281 20 T C -1.002 173.235 174.700 -0.771 0.000 0.982 20 T CA 0.709 62.478 62.100 -0.552 0.000 0.978 20 T CB 1.103 69.715 68.868 -0.426 0.000 0.930 20 T HN 0.014 7.949 8.240 -0.509 0.000 0.447 21 W N 5.555 126.498 121.300 -0.594 0.000 2.781 21 W HA 0.492 5.201 4.660 -0.171 -0.152 0.345 21 W C -1.593 174.689 176.519 -0.395 0.000 1.085 21 W CA -1.460 55.691 57.345 -0.323 0.000 1.198 21 W CB 3.370 32.776 29.460 -0.090 0.000 1.423 21 W HN 1.018 8.875 8.180 -0.358 0.108 0.532 22 Y N -2.655 117.935 120.300 0.483 0.000 2.536 22 Y HA 0.798 5.721 4.550 0.324 -0.179 0.347 22 Y C -0.860 175.281 175.900 0.400 0.000 1.000 22 Y CA -1.844 56.470 58.100 0.357 0.000 1.051 22 Y CB 3.534 42.100 38.460 0.177 0.000 1.259 22 Y HN 1.086 9.632 8.280 0.618 0.105 0.468 23 N N -0.060 118.865 118.700 0.376 0.000 2.619 23 N HA 0.603 5.463 4.740 -0.076 -0.165 0.294 23 N C 1.938 177.482 175.510 0.056 0.000 1.279 23 N CA -2.764 50.270 53.050 -0.028 0.000 0.867 23 N CB 2.031 40.233 38.487 -0.475 0.000 1.329 23 N HN -0.204 8.404 8.380 0.381 0.000 0.557 24 Q N -0.924 118.870 119.800 -0.011 0.000 2.364 24 Q HA -0.114 4.255 4.340 0.049 0.000 0.207 24 Q C 0.360 176.385 176.000 0.042 0.000 0.970 24 Q CA 2.129 57.950 55.803 0.030 0.000 0.888 24 Q CB -0.735 28.015 28.738 0.020 0.000 0.951 24 Q HN 0.393 8.606 8.270 -0.094 0.000 0.469 25 L N -3.757 117.497 121.223 0.052 0.000 2.446 25 L HA 0.089 4.456 4.340 0.045 0.000 0.219 25 L C 0.868 177.785 176.870 0.079 0.000 1.116 25 L CA 0.032 54.909 54.840 0.062 0.000 0.844 25 L CB 0.510 42.612 42.059 0.072 0.000 0.970 25 L HN -0.438 8.012 8.230 0.043 -0.195 0.457 26 G N -3.502 105.363 108.800 0.109 0.000 2.211 26 G HA2 -0.297 3.735 3.960 0.121 0.000 0.201 26 G HA3 -0.297 3.718 3.960 0.091 0.000 0.201 26 G C -0.702 174.301 174.900 0.172 0.000 0.997 26 G CA -0.502 44.672 45.100 0.123 0.000 0.652 26 G HN -0.130 8.415 8.290 0.121 -0.182 0.500 27 S N 3.164 118.973 115.700 0.181 0.000 2.568 27 S HA -0.018 4.624 4.470 0.135 -0.091 0.282 27 S C -0.748 173.911 174.600 0.098 0.000 1.338 27 S CA 1.605 59.891 58.200 0.144 0.000 1.045 27 S CB 0.802 64.136 63.200 0.223 0.000 0.873 27 S HN -0.519 8.016 8.310 0.178 -0.118 0.516 28 T N 3.841 118.359 114.554 -0.059 0.000 2.885 28 T HA 0.814 5.273 4.350 -0.098 -0.168 0.285 28 T C -1.521 172.993 174.700 -0.311 0.000 1.019 28 T CA -0.307 61.717 62.100 -0.127 0.000 1.010 28 T CB 2.500 71.329 68.868 -0.065 0.000 1.022 28 T HN 0.354 8.543 8.240 -0.086 0.000 0.466 29 F N 6.513 126.169 119.950 -0.490 0.000 2.539 29 F HA 0.698 5.024 4.527 -0.570 -0.142 0.318 29 F C -3.131 172.456 175.800 -0.354 0.000 1.135 29 F CA -2.559 55.113 58.000 -0.547 0.000 0.915 29 F CB 3.783 42.333 39.000 -0.749 0.000 1.176 29 F HN 0.695 8.853 8.300 -0.237 0.000 0.440 30 I N 7.793 128.101 120.570 -0.436 0.000 2.410 30 I HA 0.638 4.717 4.170 -0.456 -0.183 0.286 30 I C -1.815 173.998 176.117 -0.506 0.000 1.009 30 I CA -1.290 59.752 61.300 -0.430 0.000 1.111 30 I CB 1.744 39.593 38.000 -0.251 0.000 1.262 30 I HN 0.592 8.649 8.210 -0.255 0.000 0.443 31 V N 3.405 122.970 119.914 -0.580 0.000 3.040 31 V HA 1.007 5.077 4.120 -0.377 -0.176 0.312 31 V C -1.187 174.714 176.094 -0.322 0.000 1.115 31 V CA -2.849 59.154 62.300 -0.496 0.000 0.998 31 V CB 3.582 34.976 31.823 -0.716 0.000 1.042 31 V HN 0.743 8.612 8.190 -0.535 0.000 0.433 32 T N -0.943 113.464 114.554 -0.245 0.000 2.812 32 T HA 0.299 4.539 4.350 -0.183 0.000 0.282 32 T C -1.447 173.154 174.700 -0.165 0.000 0.990 32 T CA -2.180 59.814 62.100 -0.177 0.000 0.960 32 T CB 1.341 70.136 68.868 -0.121 0.000 0.948 32 T HN 0.612 8.713 8.240 -0.232 0.000 0.438 33 A N 5.122 127.830 122.820 -0.187 0.000 2.276 33 A HA 0.838 5.280 4.320 -0.116 -0.191 0.316 33 A C -0.659 176.919 177.584 -0.010 0.000 1.229 33 A CA -2.002 49.923 52.037 -0.187 0.000 0.851 33 A CB 1.908 20.582 19.000 -0.543 0.000 1.165 33 A HN 0.181 8.215 8.150 -0.193 0.000 0.513 34 G N 0.065 108.943 108.800 0.130 0.000 2.476 34 G HA2 0.043 4.033 3.960 0.050 0.000 0.286 34 G HA3 0.043 4.056 3.960 0.089 0.000 0.286 34 G C -0.259 174.742 174.900 0.169 0.000 1.177 34 G CA -1.234 43.930 45.100 0.107 0.000 0.870 34 G HN 0.358 8.653 8.290 0.201 0.114 0.528 35 A N -0.583 122.293 122.820 0.093 0.000 2.070 35 A HA -0.086 4.315 4.320 0.135 0.000 0.220 35 A C 0.221 177.825 177.584 0.033 0.000 1.159 35 A CA 2.006 54.094 52.037 0.085 0.000 0.656 35 A CB 0.198 19.223 19.000 0.040 0.000 0.800 35 A HN 0.380 8.563 8.150 0.056 0.000 0.453 36 D N -5.681 114.721 120.400 0.003 0.000 2.342 36 D HA -0.106 4.488 4.640 -0.077 0.000 0.221 36 D C -0.153 176.056 176.300 -0.151 0.000 1.101 36 D CA 0.159 54.122 54.000 -0.063 0.000 0.837 36 D CB 0.270 41.051 40.800 -0.032 0.000 0.938 36 D HN -0.349 8.000 8.370 0.029 0.038 0.508 37 G N -2.260 106.382 108.800 -0.264 0.000 2.201 37 G HA2 -0.314 3.078 3.960 -1.297 0.000 0.212 37 G HA3 -0.314 3.435 3.960 -0.350 0.000 0.212 37 G C -2.070 172.793 174.900 -0.062 0.000 0.994 37 G CA 0.011 44.823 45.100 -0.480 0.000 0.644 37 G HN -0.652 7.487 8.290 -0.147 0.062 0.508 38 A N -0.229 122.654 122.820 0.105 0.000 2.316 38 A HA 0.426 4.949 4.320 0.122 -0.130 0.284 38 A C -1.783 175.929 177.584 0.214 0.000 1.115 38 A CA -0.879 51.245 52.037 0.145 0.000 0.812 38 A CB 1.814 20.860 19.000 0.077 0.000 1.064 38 A HN -0.362 7.837 8.150 0.082 0.000 0.489 39 L N 2.995 124.306 121.223 0.146 0.000 2.376 39 L HA 0.911 5.437 4.340 -0.003 -0.188 0.275 39 L C -1.013 175.868 176.870 0.018 0.000 0.987 39 L CA -0.788 54.089 54.840 0.061 0.000 0.828 39 L CB 4.035 46.160 42.059 0.109 0.000 1.249 39 L HN -0.085 8.224 8.230 0.131 0.000 0.409 40 T N 0.666 115.195 114.554 -0.042 0.000 2.903 40 T HA 0.809 5.301 4.350 -0.011 -0.148 0.299 40 T C -0.941 173.702 174.700 -0.095 0.000 1.093 40 T CA -2.277 59.798 62.100 -0.040 0.000 1.002 40 T CB 3.463 72.316 68.868 -0.025 0.000 1.127 40 T HN 0.369 8.560 8.240 -0.082 0.000 0.488 41 G N 0.171 108.928 108.800 -0.071 0.000 2.336 41 G HA2 0.227 4.123 3.960 -0.106 0.000 0.286 41 G HA3 0.227 4.262 3.960 -0.172 -0.178 0.286 41 G C -2.901 171.979 174.900 -0.034 0.000 1.269 41 G CA 1.077 46.116 45.100 -0.101 0.000 0.873 41 G HN -0.323 7.948 8.290 -0.033 0.000 0.494 42 T N 1.567 116.101 114.554 -0.032 0.000 2.876 42 T HA 0.884 5.457 4.350 0.084 -0.173 0.289 42 T C -2.322 172.451 174.700 0.121 0.000 1.014 42 T CA -0.383 61.745 62.100 0.048 0.000 0.986 42 T CB 3.554 72.427 68.868 0.008 0.000 1.021 42 T HN 0.092 8.274 8.240 -0.097 0.000 0.458 43 Y N 6.467 126.826 120.300 0.098 0.000 2.341 43 Y HA 0.537 5.320 4.550 0.142 -0.147 0.338 43 Y C -2.449 173.608 175.900 0.262 0.000 0.965 43 Y CA -1.939 56.254 58.100 0.155 0.000 1.108 43 Y CB 3.736 42.259 38.460 0.106 0.000 1.180 43 Y HN 0.976 9.337 8.280 0.313 0.108 0.458 44 E N 6.116 126.417 120.200 0.168 0.000 2.238 44 E HA 0.894 5.765 4.350 0.428 -0.264 0.267 44 E C -1.230 175.531 176.600 0.269 0.000 0.887 44 E CA -2.647 53.913 56.400 0.267 0.000 0.769 44 E CB 3.633 33.404 29.700 0.117 0.000 1.187 44 E HN 0.530 8.807 8.360 -0.140 0.000 0.416 45 S N 1.804 117.729 115.700 0.375 0.000 2.666 45 S HA 0.093 4.751 4.470 0.313 0.000 0.279 45 S C -0.488 174.216 174.600 0.174 0.000 1.149 45 S CA -1.328 57.053 58.200 0.302 0.000 1.020 45 S CB 1.316 64.740 63.200 0.373 0.000 1.127 45 S HN 0.319 8.779 8.310 0.430 0.109 0.537 46 A N 1.394 124.292 122.820 0.131 0.000 2.630 46 A HA -0.214 4.153 4.320 0.078 0.000 0.231 46 A C 0.613 178.238 177.584 0.068 0.000 1.023 46 A CA 1.644 53.729 52.037 0.081 0.000 0.773 46 A CB -0.381 18.649 19.000 0.051 0.000 0.923 46 A HN 0.359 8.589 8.150 0.133 0.000 0.497 47 V N -1.866 118.079 119.914 0.051 0.000 1.328 47 V HA -0.523 3.615 4.120 0.030 0.000 0.046 47 V C 1.586 177.703 176.094 0.038 0.000 1.825 47 V CA 1.716 64.038 62.300 0.036 0.000 2.663 47 V CB -0.851 30.988 31.823 0.026 0.000 1.538 47 V HN 0.603 8.823 8.190 0.050 0.000 0.947 48 G N -4.299 104.534 108.800 0.054 0.000 3.400 48 G HA2 -0.447 3.553 3.960 0.065 0.000 0.209 48 G HA3 -0.447 3.536 3.960 0.038 0.000 0.209 48 G C -0.683 174.238 174.900 0.034 0.000 1.411 48 G CA -0.058 45.071 45.100 0.049 0.000 0.917 48 G HN -0.526 7.683 8.290 0.071 0.123 0.570 49 N N 0.444 119.154 118.700 0.016 0.000 4.307 49 N HA -0.390 4.340 4.740 -0.016 0.000 0.264 49 N C -0.751 174.738 175.510 -0.036 0.000 0.892 49 N CA 1.472 54.516 53.050 -0.010 0.000 0.997 49 N CB -0.394 38.093 38.487 0.001 0.000 0.808 49 N HN -0.250 8.057 8.380 0.017 0.083 0.600 50 A N -1.120 121.651 122.820 -0.082 0.000 2.008 50 A HA 0.148 4.421 4.320 -0.079 0.000 0.201 50 A C -0.515 176.963 177.584 -0.178 0.000 1.794 50 A CA 1.073 53.040 52.037 -0.117 0.000 0.952 50 A CB 0.899 19.813 19.000 -0.143 0.000 1.147 50 A HN 0.195 8.286 8.150 -0.098 0.000 0.589 51 E N -0.678 119.342 120.200 -0.300 0.000 2.884 51 E HA 0.207 4.390 4.350 -0.279 0.000 0.221 51 E C -1.529 174.917 176.600 -0.256 0.000 1.137 51 E CA -1.710 54.461 56.400 -0.383 0.000 1.160 51 E CB -1.000 28.163 29.700 -0.895 0.000 1.385 51 E HN -0.102 8.162 8.360 -0.317 -0.094 0.442 52 S N -1.885 113.742 115.700 -0.123 0.000 2.650 52 S HA 0.272 4.848 4.470 0.176 0.000 0.240 52 S C -0.292 174.361 174.600 0.088 0.000 1.007 52 S CA -0.800 57.452 58.200 0.086 0.000 0.984 52 S CB 0.980 64.260 63.200 0.134 0.000 0.910 52 S HN -0.389 7.780 8.310 -0.105 0.078 0.509 53 R N 1.387 121.789 120.500 -0.164 0.000 2.368 53 R HA 0.570 5.225 4.340 0.176 -0.210 0.302 53 R C -1.049 175.042 176.300 -0.350 0.000 1.002 53 R CA -0.445 55.616 56.100 -0.065 0.000 0.929 53 R CB 2.280 32.551 30.300 -0.048 0.000 1.073 53 R HN -0.721 7.312 8.270 -0.237 0.095 0.464 54 Y N -0.140 120.252 120.300 0.154 0.000 2.545 54 Y HA 0.200 4.801 4.550 0.086 0.000 0.348 54 Y C -0.983 174.948 175.900 0.051 0.000 1.002 54 Y CA -1.383 56.773 58.100 0.093 0.000 1.039 54 Y CB 3.289 41.780 38.460 0.052 0.000 1.271 54 Y HN 0.452 8.947 8.280 0.359 0.000 0.467 55 V N 1.233 121.235 119.914 0.146 0.000 2.732 55 V HA 0.123 4.416 4.120 0.073 -0.130 0.297 55 V C -0.627 175.506 176.094 0.066 0.000 1.060 55 V CA 0.771 63.119 62.300 0.081 0.000 1.038 55 V CB 0.601 32.454 31.823 0.050 0.000 1.003 55 V HN 0.781 9.061 8.190 0.149 0.000 0.481 56 L N 0.561 121.821 121.223 0.062 0.000 2.388 56 L HA 1.066 5.631 4.340 0.081 -0.176 0.264 56 L C -1.479 175.435 176.870 0.073 0.000 0.998 56 L CA -1.565 53.323 54.840 0.080 0.000 0.817 56 L CB 4.215 46.322 42.059 0.081 0.000 1.338 56 L HN 0.276 8.535 8.230 0.049 0.000 0.414 57 T N 0.657 115.282 114.554 0.119 0.000 2.923 57 T HA 0.694 5.254 4.350 0.076 -0.165 0.311 57 T C -1.494 173.315 174.700 0.181 0.000 1.183 57 T CA -1.400 60.763 62.100 0.105 0.000 1.020 57 T CB 2.350 71.261 68.868 0.071 0.000 1.165 57 T HN -0.158 8.183 8.240 0.167 0.000 0.482 58 G N 2.346 111.250 108.800 0.174 0.000 2.561 58 G HA2 0.653 4.736 3.960 0.206 0.000 0.310 58 G HA3 0.653 4.946 3.960 0.330 -0.135 0.310 58 G C -2.878 172.133 174.900 0.186 0.000 1.292 58 G CA 0.653 45.889 45.100 0.228 0.000 0.811 58 G HN 0.535 8.902 8.290 0.128 0.000 0.482 59 R N -3.318 117.310 120.500 0.213 0.000 2.707 59 R HA 1.152 5.827 4.340 0.194 -0.218 0.272 59 R C -1.834 174.622 176.300 0.259 0.000 1.011 59 R CA -2.069 54.142 56.100 0.184 0.000 0.893 59 R CB 4.835 35.187 30.300 0.087 0.000 1.233 59 R HN -0.148 8.270 8.270 0.247 0.000 0.464 60 Y N -3.059 117.277 120.300 0.059 0.000 2.615 60 Y HA 0.629 5.367 4.550 0.080 -0.139 0.341 60 Y C -2.274 173.651 175.900 0.043 0.000 1.089 60 Y CA -2.523 55.612 58.100 0.059 0.000 1.049 60 Y CB 2.410 40.892 38.460 0.037 0.000 1.296 60 Y HN 0.596 8.887 8.280 0.018 0.000 0.470 61 D N 0.053 120.456 120.400 0.005 0.000 2.336 61 D HA 0.128 4.671 4.640 -0.161 0.000 0.249 61 D C 0.029 176.220 176.300 -0.181 0.000 1.213 61 D CA -0.610 53.333 54.000 -0.095 0.000 0.870 61 D CB 0.843 41.669 40.800 0.042 0.000 1.076 61 D HN -0.105 8.392 8.370 0.213 0.000 0.483 62 S N 4.385 119.847 115.700 -0.397 0.000 2.603 62 S HA -0.175 4.247 4.470 -0.080 0.000 0.220 62 S C -0.678 173.903 174.600 -0.031 0.000 0.967 62 S CA 0.571 58.619 58.200 -0.252 0.000 0.920 62 S CB 0.103 63.102 63.200 -0.336 0.000 0.773 62 S HN 0.101 8.171 8.310 -0.401 0.000 0.529 63 A N 1.171 123.978 122.820 -0.023 0.000 3.317 63 A HA 0.373 4.713 4.320 0.033 0.000 0.307 63 A C -3.328 174.277 177.584 0.035 0.000 1.003 63 A CA -2.188 49.857 52.037 0.014 0.000 0.882 63 A CB 0.441 19.437 19.000 -0.007 0.000 1.136 63 A HN -0.777 7.325 8.150 -0.052 0.017 0.488 64 P HA 0.084 4.788 4.420 0.073 -0.240 0.271 64 P C -1.169 176.169 177.300 0.064 0.000 1.244 64 P CA -0.501 62.648 63.100 0.082 0.000 0.793 64 P CB 1.297 33.074 31.700 0.128 0.000 0.984 65 A N -1.559 121.296 122.820 0.059 0.000 2.425 65 A HA -0.020 4.324 4.320 0.039 0.000 0.242 65 A C 1.367 178.981 177.584 0.050 0.000 1.077 65 A CA 0.276 52.341 52.037 0.047 0.000 0.781 65 A CB 0.912 19.936 19.000 0.041 0.000 1.020 65 A HN 0.141 8.329 8.150 0.064 0.000 0.494 66 T N -1.049 113.530 114.554 0.041 0.000 3.327 66 T HA 0.042 4.453 4.350 0.047 -0.033 0.241 66 T C -1.052 173.669 174.700 0.035 0.000 0.907 66 T CA -1.052 61.072 62.100 0.040 0.000 0.931 66 T CB -1.525 67.363 68.868 0.033 0.000 1.112 66 T HN 0.119 8.499 8.240 0.035 -0.119 0.589 67 D N -0.303 120.120 120.400 0.037 0.000 2.687 67 D HA 0.072 4.689 4.640 0.028 0.041 0.264 67 D C -0.483 175.838 176.300 0.035 0.000 1.091 67 D CA -1.931 52.088 54.000 0.032 0.000 1.123 67 D CB 2.033 42.850 40.800 0.028 0.000 1.407 67 D HN -0.608 8.268 8.370 0.043 -0.481 0.591 68 G N -2.329 106.489 108.800 0.030 0.000 3.197 68 G HA2 -0.073 3.907 3.960 0.033 0.000 0.257 68 G HA3 -0.073 3.902 3.960 0.024 0.000 0.257 68 G C -0.783 174.136 174.900 0.031 0.000 0.835 68 G CA 0.321 45.438 45.100 0.030 0.000 2.001 68 G HN -0.058 8.248 8.290 0.026 0.000 0.625 69 S N 0.873 116.597 115.700 0.041 0.000 2.689 69 S HA 0.251 4.744 4.470 0.037 0.000 0.306 69 S C -0.088 174.547 174.600 0.059 0.000 1.104 69 S CA -1.467 56.761 58.200 0.045 0.000 0.973 69 S CB 3.449 66.678 63.200 0.049 0.000 1.121 69 S HN -0.209 8.066 8.310 0.047 0.063 0.523 70 G N -0.158 108.679 108.800 0.062 0.000 2.522 70 G HA2 0.334 4.370 3.960 0.068 0.000 0.304 70 G HA3 0.334 4.343 3.960 0.066 -0.009 0.304 70 G C -1.086 173.897 174.900 0.137 0.000 1.210 70 G CA -0.719 44.430 45.100 0.082 0.000 0.960 70 G HN -0.070 8.253 8.290 0.055 0.000 0.497 71 T N 4.002 118.685 114.554 0.214 0.000 2.743 71 T HA 0.125 4.592 4.350 0.196 0.000 0.292 71 T C -0.697 174.138 174.700 0.225 0.000 0.972 71 T CA 0.595 62.843 62.100 0.246 0.000 0.967 71 T CB 0.912 69.990 68.868 0.351 0.000 0.926 71 T HN 0.296 8.579 8.240 0.250 0.107 0.459 72 A N 8.762 131.687 122.820 0.175 0.000 2.425 72 A HA 0.549 5.151 4.320 0.153 -0.191 0.249 72 A C -1.344 176.358 177.584 0.196 0.000 1.084 72 A CA -0.093 52.038 52.037 0.156 0.000 0.781 72 A CB 0.885 19.951 19.000 0.109 0.000 1.019 72 A HN 0.672 8.912 8.150 0.150 0.000 0.490 73 L N -4.094 117.249 121.223 0.200 0.000 2.801 73 L HA 1.010 5.610 4.340 0.235 -0.119 0.264 73 L C -1.104 175.896 176.870 0.218 0.000 1.086 73 L CA -1.002 53.986 54.840 0.247 0.000 0.920 73 L CB 2.953 45.197 42.059 0.308 0.000 1.529 73 L HN 0.212 8.547 8.230 0.176 0.000 0.399 74 G N -4.225 104.739 108.800 0.274 0.000 2.547 74 G HA2 0.670 4.784 3.960 0.042 0.000 0.291 74 G HA3 0.670 4.656 3.960 0.089 0.028 0.291 74 G C -3.190 171.915 174.900 0.342 0.000 1.471 74 G CA 1.000 46.204 45.100 0.173 0.000 0.798 74 G HN -0.302 8.188 8.290 0.333 0.000 0.504 75 W N -4.344 117.033 121.300 0.128 0.000 2.989 75 W HA 0.655 5.451 4.660 0.076 -0.090 0.344 75 W C -3.148 173.462 176.519 0.151 0.000 1.233 75 W CA -1.288 56.113 57.345 0.094 0.000 1.187 75 W CB 1.781 31.256 29.460 0.025 0.000 1.443 75 W HN 0.496 8.557 8.180 -0.199 0.000 0.573 76 T N 0.697 115.428 114.554 0.296 0.000 2.907 76 T HA 0.964 5.589 4.350 0.098 -0.216 0.292 76 T C -1.543 173.244 174.700 0.144 0.000 1.043 76 T CA -0.678 61.510 62.100 0.148 0.000 1.003 76 T CB 3.262 72.157 68.868 0.045 0.000 1.084 76 T HN 0.513 8.965 8.240 0.352 0.000 0.483 77 V N 2.852 122.733 119.914 -0.056 0.000 2.668 77 V HA 0.285 4.410 4.120 -0.224 -0.139 0.304 77 V C -2.380 173.312 176.094 -0.670 0.000 1.071 77 V CA -0.976 61.096 62.300 -0.381 0.000 0.894 77 V CB 3.922 35.292 31.823 -0.755 0.000 1.008 77 V HN 0.693 8.819 8.190 -0.106 0.000 0.425 78 A N 5.286 127.826 122.820 -0.468 0.000 2.276 78 A HA 0.544 4.774 4.320 -0.333 -0.110 0.316 78 A C 0.065 177.426 177.584 -0.373 0.000 1.229 78 A CA -1.693 50.150 52.037 -0.324 0.000 0.851 78 A CB 1.453 20.392 19.000 -0.101 0.000 1.165 78 A HN 0.711 8.681 8.150 -0.300 0.000 0.513 79 W N 5.433 126.681 121.300 -0.086 0.000 1.830 79 W HA -0.122 4.256 4.660 -0.470 0.000 0.461 79 W C -1.295 175.255 176.519 0.051 0.000 0.613 79 W CA -1.138 56.087 57.345 -0.200 0.000 2.422 79 W CB -0.926 28.358 29.460 -0.293 0.000 1.059 79 W HN 0.612 8.694 8.180 -0.163 0.000 0.479 80 K N 0.486 121.097 120.400 0.352 0.000 2.464 80 K HA 0.769 5.491 4.320 0.313 -0.215 0.253 80 K C -1.833 174.957 176.600 0.317 0.000 0.933 80 K CA -1.295 55.173 56.287 0.302 0.000 0.801 80 K CB 3.335 35.914 32.500 0.132 0.000 1.271 80 K HN -0.257 8.068 8.250 0.280 0.093 0.430 81 N N 4.444 123.268 118.700 0.206 0.000 3.439 81 N HA 0.217 4.995 4.740 0.064 0.000 0.313 81 N C -1.075 174.471 175.510 0.060 0.000 1.598 81 N CA -0.984 52.108 53.050 0.070 0.000 0.830 81 N CB 1.028 39.417 38.487 -0.163 0.000 1.849 81 N HN 0.898 9.401 8.380 0.205 0.000 0.598 82 N N -1.368 117.348 118.700 0.028 0.000 2.501 82 N HA 0.074 4.718 4.740 -0.159 0.000 0.195 82 N C -0.753 174.459 175.510 -0.497 0.000 1.213 82 N CA 1.567 54.473 53.050 -0.241 0.000 0.864 82 N CB -0.719 37.519 38.487 -0.416 0.000 0.999 82 N HN 0.105 8.548 8.380 0.104 0.000 0.454 83 Y N -2.608 117.685 120.300 -0.013 0.000 2.494 83 Y HA 0.098 4.652 4.550 0.006 0.000 0.271 83 Y C -0.340 175.577 175.900 0.028 0.000 1.113 83 Y CA 1.182 59.283 58.100 0.002 0.000 1.240 83 Y CB 2.208 40.662 38.460 -0.011 0.000 1.268 83 Y HN -0.069 8.581 8.280 0.234 -0.230 0.510 84 R N -2.066 118.560 120.500 0.211 0.000 2.771 84 R HA 0.354 4.767 4.340 0.123 0.000 0.274 84 R C -2.778 173.613 176.300 0.152 0.000 0.987 84 R CA -1.271 54.935 56.100 0.177 0.000 0.908 84 R CB 4.216 34.664 30.300 0.247 0.000 1.213 84 R HN 0.210 8.986 8.270 0.222 -0.373 0.468 85 N N 0.863 119.591 118.700 0.045 0.000 2.571 85 N HA 0.263 5.153 4.740 0.009 -0.145 0.286 85 N C -1.485 173.867 175.510 -0.263 0.000 1.138 85 N CA 0.241 53.228 53.050 -0.105 0.000 0.859 85 N CB 1.000 39.359 38.487 -0.213 0.000 1.414 85 N HN 0.205 8.600 8.380 0.025 0.000 0.529 86 A N 2.237 124.982 122.820 -0.124 0.000 2.415 86 A HA 0.151 4.410 4.320 -0.102 0.000 0.248 86 A C 0.523 178.079 177.584 -0.048 0.000 1.299 86 A CA -0.623 51.359 52.037 -0.092 0.000 0.899 86 A CB 0.679 19.654 19.000 -0.043 0.000 0.997 86 A HN 0.856 9.018 8.150 0.020 0.000 0.506 87 H N -0.508 118.616 119.070 0.090 0.000 2.445 87 H HA -0.375 4.223 4.556 0.070 0.000 0.322 87 H C -1.808 173.560 175.328 0.065 0.000 1.053 87 H CA 1.212 57.299 56.048 0.066 0.000 1.109 87 H CB -2.868 26.916 29.762 0.036 0.000 1.546 87 H HN 0.223 8.401 8.280 -0.531 -0.217 0.397 88 S N -4.989 110.819 115.700 0.178 0.000 2.656 88 S HA 0.875 5.526 4.470 0.124 -0.106 0.273 88 S C -2.438 172.300 174.600 0.230 0.000 1.168 88 S CA -0.765 57.544 58.200 0.182 0.000 0.817 88 S CB 4.229 67.515 63.200 0.144 0.000 1.146 88 S HN -0.432 7.983 8.310 0.175 0.000 0.475 89 A N -1.988 120.930 122.820 0.164 0.000 2.574 89 A HA 0.748 5.065 4.320 -0.242 -0.142 0.297 89 A C -2.433 175.137 177.584 -0.024 0.000 1.062 89 A CA -0.107 51.912 52.037 -0.031 0.000 0.686 89 A CB 3.815 22.774 19.000 -0.069 0.000 1.285 89 A HN 0.547 8.775 8.150 0.131 0.000 0.403 90 T N 3.591 118.042 114.554 -0.172 0.000 2.863 90 T HA 1.083 5.524 4.350 -0.251 -0.242 0.285 90 T C -0.782 173.676 174.700 -0.403 0.000 1.009 90 T CA -1.235 60.661 62.100 -0.340 0.000 0.989 90 T CB 2.731 71.260 68.868 -0.566 0.000 1.004 90 T HN 0.846 8.866 8.240 -0.367 0.000 0.455 91 T N 1.987 116.295 114.554 -0.409 0.000 2.848 91 T HA 0.829 5.307 4.350 -0.140 -0.212 0.285 91 T C -1.321 173.164 174.700 -0.359 0.000 0.995 91 T CA -1.978 59.971 62.100 -0.251 0.000 0.970 91 T CB 2.509 71.300 68.868 -0.128 0.000 0.976 91 T HN 0.453 8.462 8.240 -0.384 0.000 0.441 92 W N 5.268 126.205 121.300 -0.605 0.000 2.573 92 W HA 0.504 5.166 4.660 -0.249 -0.151 0.326 92 W C -1.281 174.923 176.519 -0.526 0.000 1.049 92 W CA -1.440 55.520 57.345 -0.641 0.000 1.220 92 W CB 3.470 32.107 29.460 -1.373 0.000 1.373 92 W HN 0.913 8.935 8.180 -0.262 0.000 0.507 93 S N 1.555 117.214 115.700 -0.068 0.000 2.532 93 S HA 0.729 5.330 4.470 -0.013 -0.139 0.299 93 S C -0.998 173.628 174.600 0.043 0.000 1.105 93 S CA -1.587 56.603 58.200 -0.016 0.000 1.018 93 S CB 1.464 64.656 63.200 -0.012 0.000 1.021 93 S HN 0.539 8.843 8.310 -0.010 0.000 0.483 94 G N 3.936 112.787 108.800 0.084 0.000 2.450 94 G HA2 0.580 4.599 3.960 0.097 0.000 0.273 94 G HA3 0.580 4.799 3.960 0.152 -0.167 0.273 94 G C -3.437 171.550 174.900 0.146 0.000 1.221 94 G CA 0.838 46.011 45.100 0.121 0.000 0.900 94 G HN 0.500 8.847 8.290 0.094 0.000 0.483 95 Q N -3.573 116.322 119.800 0.159 0.000 2.418 95 Q HA 0.829 5.467 4.340 0.199 -0.179 0.282 95 Q C -2.464 173.647 176.000 0.186 0.000 1.044 95 Q CA -2.028 53.877 55.803 0.170 0.000 0.813 95 Q CB 4.412 33.224 28.738 0.124 0.000 1.428 95 Q HN 0.112 8.477 8.270 0.159 0.000 0.402 96 Y N 2.827 123.175 120.300 0.081 0.000 2.323 96 Y HA 0.632 5.362 4.550 0.031 -0.162 0.331 96 Y C -2.319 173.632 175.900 0.085 0.000 1.092 96 Y CA -1.515 56.617 58.100 0.053 0.000 1.150 96 Y CB 2.582 41.053 38.460 0.020 0.000 1.200 96 Y HN 0.624 8.977 8.280 0.308 0.111 0.472 97 V N 6.855 126.351 119.914 -0.697 0.000 2.525 97 V HA 0.277 4.178 4.120 -0.365 0.000 0.299 97 V C -1.494 174.122 176.094 -0.798 0.000 1.034 97 V CA -1.126 60.868 62.300 -0.510 0.000 0.863 97 V CB 3.460 35.170 31.823 -0.189 0.000 0.999 97 V HN 0.358 8.141 8.190 -0.679 0.000 0.423 98 G N 4.504 112.946 108.800 -0.598 0.000 2.642 98 G HA2 0.573 4.364 3.960 -0.283 0.000 0.291 98 G HA3 0.573 4.514 3.960 -0.032 0.000 0.291 98 G C -0.773 174.088 174.900 -0.065 0.000 1.345 98 G CA -1.626 43.313 45.100 -0.269 0.000 1.043 98 G HN 0.339 8.408 8.290 -0.368 0.000 0.528 99 G N -2.482 106.332 108.800 0.024 0.000 2.315 99 G HA2 -0.217 3.764 3.960 0.035 0.000 0.296 99 G HA3 -0.217 3.750 3.960 0.011 0.000 0.296 99 G C -0.395 174.526 174.900 0.035 0.000 1.289 99 G CA -0.648 44.468 45.100 0.027 0.000 0.996 99 G HN -0.197 8.138 8.290 0.075 0.000 0.487 100 A N -0.230 122.606 122.820 0.026 0.000 1.883 100 A HA -0.130 4.202 4.320 0.021 0.000 0.217 100 A C 0.535 178.136 177.584 0.029 0.000 1.186 100 A CA 1.929 53.980 52.037 0.023 0.000 0.624 100 A CB 0.052 19.063 19.000 0.019 0.000 0.822 100 A HN 0.223 8.386 8.150 0.022 0.000 0.444 101 E N -1.793 118.428 120.200 0.035 0.000 2.561 101 E HA 0.121 4.503 4.350 0.053 0.000 0.225 101 E C -1.671 174.976 176.600 0.078 0.000 1.035 101 E CA -2.527 53.905 56.400 0.054 0.000 0.904 101 E CB -1.004 28.727 29.700 0.051 0.000 1.291 101 E HN -0.120 8.257 8.360 0.029 0.001 0.444 102 A N 3.225 126.108 122.820 0.104 0.000 2.498 102 A HA 0.070 4.581 4.320 0.027 -0.175 0.239 102 A C -0.474 177.309 177.584 0.332 0.000 1.068 102 A CA 0.524 52.663 52.037 0.170 0.000 0.766 102 A CB 0.782 19.979 19.000 0.328 0.000 1.003 102 A HN 0.068 8.268 8.150 0.084 0.000 0.497 103 R N -2.073 118.576 120.500 0.249 0.000 2.764 103 R HA 0.823 5.675 4.340 0.586 -0.161 0.270 103 R C -1.550 174.837 176.300 0.145 0.000 1.014 103 R CA -1.606 54.686 56.100 0.320 0.000 0.904 103 R CB 3.686 34.108 30.300 0.203 0.000 1.236 103 R HN 0.347 8.623 8.270 0.011 0.000 0.466 104 I N 0.329 120.995 120.570 0.161 0.000 2.439 104 I HA 0.478 4.907 4.170 0.117 -0.188 0.283 104 I C -1.689 174.594 176.117 0.277 0.000 1.023 104 I CA -1.029 60.350 61.300 0.131 0.000 1.100 104 I CB 2.283 40.260 38.000 -0.038 0.000 1.238 104 I HN 0.253 8.636 8.210 0.287 0.000 0.445 105 N N 9.591 128.422 118.700 0.218 0.000 2.425 105 N HA 0.460 5.345 4.740 0.241 0.000 0.268 105 N C -0.969 174.682 175.510 0.234 0.000 0.991 105 N CA 0.110 53.288 53.050 0.214 0.000 0.931 105 N CB 2.382 40.951 38.487 0.136 0.000 1.130 105 N HN 0.614 9.096 8.380 0.170 0.000 0.493 106 T N 0.209 114.939 114.554 0.293 0.000 2.883 106 T HA 0.768 5.386 4.350 0.195 -0.152 0.296 106 T C -1.378 173.468 174.700 0.243 0.000 1.117 106 T CA -2.373 59.898 62.100 0.285 0.000 1.006 106 T CB 3.452 72.584 68.868 0.440 0.000 1.191 106 T HN 0.802 9.233 8.240 0.319 0.000 0.508 107 Q N -0.004 119.878 119.800 0.137 0.000 2.394 107 Q HA 0.863 5.314 4.340 -0.103 -0.174 0.273 107 Q C -1.566 174.408 176.000 -0.044 0.000 1.089 107 Q CA -1.075 54.704 55.803 -0.040 0.000 0.812 107 Q CB 4.758 33.454 28.738 -0.070 0.000 1.353 107 Q HN 0.076 8.419 8.270 0.121 0.000 0.438 108 W N -1.902 119.289 121.300 -0.181 0.000 3.031 108 W HA 0.960 5.522 4.660 -0.414 -0.151 0.337 108 W C -2.990 173.335 176.519 -0.324 0.000 1.187 108 W CA -2.798 54.298 57.345 -0.416 0.000 1.166 108 W CB 3.409 32.342 29.460 -0.878 0.000 1.437 108 W HN 1.029 8.661 8.180 -0.741 0.103 0.551 109 L N -0.167 121.081 121.223 0.042 0.000 2.376 109 L HA 0.757 5.331 4.340 0.036 -0.212 0.275 109 L C -1.716 175.178 176.870 0.039 0.000 0.987 109 L CA -1.234 53.624 54.840 0.030 0.000 0.828 109 L CB 2.737 44.765 42.059 -0.051 0.000 1.249 109 L HN 0.442 8.622 8.230 -0.083 0.000 0.409 110 L N 6.131 127.428 121.223 0.124 0.000 2.294 110 L HA 0.711 5.213 4.340 -0.037 -0.185 0.283 110 L C -1.670 175.208 176.870 0.013 0.000 1.015 110 L CA -1.543 53.312 54.840 0.025 0.000 0.831 110 L CB 2.623 44.680 42.059 -0.002 0.000 1.217 110 L HN 0.730 9.077 8.230 0.194 0.000 0.420 111 T N 9.597 124.151 114.554 -0.000 0.000 2.824 111 T HA 0.680 5.229 4.350 -0.022 -0.212 0.280 111 T C -0.713 173.993 174.700 0.009 0.000 0.995 111 T CA -0.745 61.350 62.100 -0.009 0.000 1.009 111 T CB 1.922 70.781 68.868 -0.014 0.000 0.955 111 T HN 0.686 8.925 8.240 -0.001 0.000 0.452 112 S N 5.010 120.705 115.700 -0.007 0.000 2.593 112 S HA 0.432 5.059 4.470 0.046 -0.130 0.297 112 S C -0.245 174.360 174.600 0.010 0.000 1.112 112 S CA -0.505 57.702 58.200 0.012 0.000 1.043 112 S CB 2.791 65.982 63.200 -0.015 0.000 1.054 112 S HN 0.335 8.626 8.310 -0.031 0.000 0.516 113 G N 1.474 110.297 108.800 0.037 0.000 2.349 113 G HA2 0.027 3.990 3.960 0.005 0.000 0.281 113 G HA3 0.027 3.999 3.960 0.019 0.000 0.281 113 G C -1.240 173.651 174.900 -0.015 0.000 1.182 113 G CA 0.301 45.409 45.100 0.012 0.000 0.899 113 G HN 0.309 8.646 8.290 0.079 0.000 0.455 114 T N 1.982 116.521 114.554 -0.025 0.000 2.858 114 T HA 0.296 4.625 4.350 -0.034 0.000 0.285 114 T C -0.868 173.819 174.700 -0.022 0.000 1.052 114 T CA -1.708 60.373 62.100 -0.032 0.000 1.009 114 T CB 2.647 71.486 68.868 -0.049 0.000 1.241 114 T HN -0.102 8.125 8.240 -0.020 0.000 0.542 115 T N -2.888 111.658 114.554 -0.013 0.000 2.927 115 T HA 0.160 4.507 4.350 -0.005 0.000 0.281 115 T C 1.180 175.890 174.700 0.018 0.000 0.998 115 T CA -1.512 60.588 62.100 -0.000 0.000 1.019 115 T CB 1.397 70.268 68.868 0.004 0.000 1.061 115 T HN -0.087 8.144 8.240 -0.014 0.000 0.518 116 E N 2.261 122.476 120.200 0.025 0.000 2.055 116 E HA -0.493 3.881 4.350 0.040 0.000 0.209 116 E C 2.550 179.196 176.600 0.078 0.000 1.036 116 E CA 3.748 60.174 56.400 0.043 0.000 0.849 116 E CB -0.994 28.728 29.700 0.037 0.000 0.767 116 E HN 0.549 8.920 8.360 0.017 0.000 0.461 117 A N -1.643 121.225 122.820 0.079 0.000 2.042 117 A HA -0.235 4.164 4.320 0.132 0.000 0.222 117 A C 0.818 178.529 177.584 0.212 0.000 1.167 117 A CA 2.583 54.696 52.037 0.126 0.000 0.649 117 A CB -0.730 18.324 19.000 0.090 0.000 0.809 117 A HN 0.324 8.507 8.150 0.056 0.000 0.457 118 N N -4.623 114.146 118.700 0.116 0.000 2.205 118 N HA 0.090 4.872 4.740 0.070 0.000 0.201 118 N C 1.274 176.728 175.510 -0.092 0.000 1.128 118 N CA 0.305 53.366 53.050 0.018 0.000 0.867 118 N CB 1.042 39.503 38.487 -0.044 0.000 0.996 118 N HN -0.311 7.946 8.380 0.070 0.165 0.503 119 A N 2.108 124.942 122.820 0.024 0.000 1.940 119 A HA -0.156 4.139 4.320 -0.041 0.000 0.219 119 A C 1.879 179.455 177.584 -0.013 0.000 1.176 119 A CA 3.060 55.098 52.037 0.002 0.000 0.631 119 A CB -0.506 18.527 19.000 0.054 0.000 0.814 119 A HN 0.387 8.383 8.150 0.085 0.205 0.446 120 W N -4.432 116.865 121.300 -0.005 0.000 2.364 120 W HA -0.230 4.425 4.660 -0.008 0.000 0.281 120 W C -0.544 175.971 176.519 -0.007 0.000 1.219 120 W CA 0.608 57.949 57.345 -0.007 0.000 1.220 120 W CB -0.816 28.640 29.460 -0.007 0.000 1.127 120 W HN 0.154 8.541 8.180 0.361 0.010 0.556 121 K N -0.180 119.583 120.400 -1.062 0.000 3.010 121 K HA 0.379 4.315 4.320 -0.641 0.000 0.211 121 K C -0.334 175.982 176.600 -0.473 0.000 1.146 121 K CA -0.868 54.848 56.287 -0.953 0.000 1.070 121 K CB -1.135 30.419 32.500 -1.576 0.000 0.908 121 K HN -0.719 6.807 8.250 -1.171 0.021 0.463 122 S N 0.071 115.597 115.700 -0.290 0.000 2.478 122 S HA -0.047 4.323 4.470 -0.166 0.000 0.222 122 S C -0.677 173.856 174.600 -0.111 0.000 1.008 122 S CA 1.541 59.643 58.200 -0.163 0.000 0.928 122 S CB 0.993 64.134 63.200 -0.098 0.000 0.781 122 S HN -0.310 7.773 8.310 -0.256 0.074 0.518 123 T N 4.545 119.035 114.554 -0.108 0.000 2.792 123 T HA 0.555 5.109 4.350 -0.043 -0.230 0.280 123 T C -0.482 174.184 174.700 -0.057 0.000 0.990 123 T CA -0.150 61.912 62.100 -0.064 0.000 0.960 123 T CB 1.953 70.791 68.868 -0.050 0.000 0.939 123 T HN -0.689 7.432 8.240 -0.134 0.038 0.439 124 L N 6.165 127.383 121.223 -0.008 0.000 2.352 124 L HA 0.565 4.878 4.340 -0.046 0.000 0.269 124 L C -1.471 175.375 176.870 -0.040 0.000 1.034 124 L CA -0.863 53.983 54.840 0.010 0.000 0.806 124 L CB 2.696 44.837 42.059 0.137 0.000 1.244 124 L HN 0.696 8.939 8.230 0.023 0.000 0.447 125 V N 0.246 120.007 119.914 -0.255 0.000 2.876 125 V HA 0.979 4.967 4.120 -0.564 -0.206 0.312 125 V C -1.558 173.912 176.094 -1.040 0.000 1.085 125 V CA -2.555 59.414 62.300 -0.553 0.000 0.945 125 V CB 3.774 35.412 31.823 -0.308 0.000 1.017 125 V HN 0.028 8.088 8.190 -0.217 0.000 0.428 126 G N 4.666 112.414 108.800 -1.753 0.000 2.619 126 G HA2 0.296 3.814 3.960 -0.737 0.000 0.305 126 G HA3 0.296 2.984 3.960 -2.120 0.000 0.305 126 G C -3.409 170.758 174.900 -1.223 0.000 1.330 126 G CA 0.216 44.366 45.100 -1.583 0.000 0.789 126 G HN 0.011 7.259 8.290 -1.738 0.000 0.487 127 H N -3.748 114.977 119.070 -0.576 0.000 2.894 127 H HA 0.602 5.153 4.556 -0.180 -0.102 0.367 127 H C -1.818 173.628 175.328 0.196 0.000 1.144 127 H CA -1.716 54.239 56.048 -0.156 0.000 1.180 127 H CB 3.570 33.263 29.762 -0.114 0.000 1.758 127 H HN 0.091 7.886 8.280 -0.808 0.000 0.541 128 D N 1.473 122.079 120.400 0.344 0.000 2.732 128 D HA 0.412 5.191 4.640 0.068 -0.099 0.229 128 D C -1.625 174.735 176.300 0.101 0.000 1.152 128 D CA -0.252 53.849 54.000 0.168 0.000 0.854 128 D CB 4.834 45.684 40.800 0.084 0.000 1.590 128 D HN 0.507 9.007 8.370 0.409 0.116 0.468 129 T N 4.035 118.565 114.554 -0.040 0.000 2.812 129 T HA 0.652 5.288 4.350 0.198 -0.168 0.282 129 T C -1.092 173.587 174.700 -0.036 0.000 0.990 129 T CA -0.158 61.990 62.100 0.079 0.000 0.960 129 T CB 1.712 70.650 68.868 0.118 0.000 0.948 129 T HN 0.098 8.549 8.240 -0.106 -0.275 0.438 130 F N 7.455 127.568 119.950 0.271 0.000 2.480 130 F HA 0.888 5.821 4.527 0.354 -0.194 0.329 130 F C -0.521 175.577 175.800 0.495 0.000 1.091 130 F CA -1.507 56.709 58.000 0.360 0.000 0.972 130 F CB 3.710 42.911 39.000 0.335 0.000 1.150 130 F HN 0.758 9.338 8.300 0.467 0.000 0.467 131 T N -3.105 111.887 114.554 0.730 0.000 2.804 131 T HA 0.575 5.383 4.350 0.763 0.000 0.290 131 T C 0.060 175.013 174.700 0.421 0.000 1.099 131 T CA -1.976 60.480 62.100 0.593 0.000 1.011 131 T CB 3.399 72.462 68.868 0.326 0.000 1.291 131 T HN 0.769 9.412 8.240 0.672 0.000 0.523 132 K N 0.449 120.892 120.400 0.072 0.000 2.410 132 K HA 0.226 4.599 4.320 -0.164 -0.151 0.200 132 K C -1.204 175.472 176.600 0.127 0.000 1.023 132 K CA -0.366 55.855 56.287 -0.110 0.000 1.149 132 K CB 0.259 32.512 32.500 -0.411 0.000 0.859 132 K HN 0.380 8.673 8.250 0.071 0.000 0.514 133 V N 0.000 120.020 119.914 0.176 0.000 2.409 133 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 133 V CA 0.000 62.330 62.300 0.049 0.000 1.235 133 V CB 0.000 31.841 31.823 0.030 0.000 1.184 133 V HN 0.000 8.231 8.190 0.217 0.090 0.556