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 2h3x_1_B DATA FIRST_RESID 10 DATA SEQUENCE ADHISLNPDL ANEDEVNScD YWRHcAVDGF LcSccGGTTT TcPPGSTPSP DATA SEQUENCE ISXIGTcHNP HDGKDYLISY HDccGKTAcG RcQcNTQTRE RPGYEFFLHN DATA SEQUENCE DVNWcMANEN STFHcTTSVL VGLAK 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 10 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 10 A C 0.000 177.615 177.584 0.052 0.000 1.274 10 A CA 0.000 52.052 52.037 0.026 0.000 0.836 10 A CB 0.000 19.014 19.000 0.023 0.000 0.831 11 D N 0.980 121.411 120.400 0.052 0.000 1.711 11 D HA 0.055 4.695 4.640 -0.000 0.000 0.300 11 D C 0.227 176.618 176.300 0.152 0.000 1.097 11 D CA 1.546 55.597 54.000 0.086 0.000 0.964 11 D CB 0.060 40.898 40.800 0.063 0.000 1.518 11 D HN 0.715 9.085 8.370 -0.000 0.000 0.541 12 H N -1.262 117.805 119.070 -0.005 0.000 3.253 12 H HA -0.035 4.521 4.556 -0.000 0.000 0.359 12 H C 1.247 176.555 175.328 -0.033 0.000 1.524 12 H CA -0.075 55.960 56.048 -0.021 0.000 1.703 12 H CB -0.186 29.557 29.762 -0.032 0.000 2.608 12 H HN 0.218 8.498 8.280 -0.000 0.000 0.416 13 I N 1.865 122.409 120.570 -0.044 0.000 2.191 13 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 13 I C 2.053 178.251 176.117 0.134 0.000 1.061 13 I CA 2.300 63.618 61.300 0.030 0.000 1.329 13 I CB -0.944 37.029 38.000 -0.046 0.000 1.024 13 I HN 0.445 8.655 8.210 -0.000 0.000 0.423 14 S N 1.814 117.681 115.700 0.278 0.000 2.469 14 S HA -0.031 4.439 4.470 -0.000 0.000 0.238 14 S C 1.766 176.460 174.600 0.157 0.000 0.998 14 S CA 0.943 59.181 58.200 0.063 0.000 0.957 14 S CB -0.886 62.135 63.200 -0.299 0.000 0.764 14 S HN 0.624 8.934 8.310 -0.000 0.000 0.514 15 L N 2.068 123.353 121.223 0.103 0.000 2.627 15 L HA 0.256 4.596 4.340 -0.000 0.000 0.233 15 L C 0.658 177.571 176.870 0.073 0.000 1.144 15 L CA -0.069 54.814 54.840 0.072 0.000 0.892 15 L CB -0.677 41.371 42.059 -0.017 0.000 1.039 15 L HN 0.522 8.752 8.230 -0.000 0.000 0.442 16 N N -0.781 117.976 118.700 0.094 0.000 2.533 16 N HA 0.194 4.934 4.740 -0.000 0.000 0.289 16 N C -2.628 172.923 175.510 0.068 0.000 1.103 16 N CA -1.311 51.774 53.050 0.058 0.000 0.877 16 N CB 2.401 40.908 38.487 0.033 0.000 1.419 16 N HN -0.266 8.114 8.380 -0.000 0.000 0.517 17 P HA -0.057 4.363 4.420 -0.000 0.000 0.216 17 P C 0.579 177.851 177.300 -0.046 0.000 1.153 17 P CA 1.080 64.172 63.100 -0.013 0.000 0.848 17 P CB 0.313 31.986 31.700 -0.046 0.000 0.787 18 D N -0.489 119.896 120.400 -0.025 0.000 2.221 18 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 18 D C 1.667 177.954 176.300 -0.021 0.000 0.982 18 D CA 1.023 55.008 54.000 -0.026 0.000 0.857 18 D CB -0.318 40.473 40.800 -0.015 0.000 0.934 18 D HN 0.288 8.658 8.370 -0.000 0.000 0.475 19 L N 0.167 121.385 121.223 -0.008 0.000 2.567 19 L HA 0.194 4.534 4.340 -0.000 0.000 0.225 19 L C 0.964 177.833 176.870 -0.002 0.000 1.119 19 L CA -0.262 54.576 54.840 -0.003 0.000 0.871 19 L CB 0.182 42.244 42.059 0.005 0.000 1.036 19 L HN -0.144 8.086 8.230 -0.000 0.000 0.459 20 A N 0.623 123.435 122.820 -0.012 0.000 2.309 20 A HA 0.291 4.610 4.320 -0.000 0.000 0.298 20 A C 0.064 177.620 177.584 -0.046 0.000 1.165 20 A CA -0.486 51.542 52.037 -0.014 0.000 0.821 20 A CB 0.240 19.232 19.000 -0.013 0.000 1.102 20 A HN 0.327 8.477 8.150 -0.000 0.000 0.500 21 N N 1.881 120.571 118.700 -0.018 0.000 2.232 21 N HA -0.122 4.618 4.740 -0.000 0.000 0.251 21 N C 0.806 176.285 175.510 -0.052 0.000 1.242 21 N CA 1.147 54.186 53.050 -0.020 0.000 0.837 21 N CB 0.361 38.853 38.487 0.007 0.000 1.079 21 N HN 0.727 9.107 8.380 -0.000 0.000 0.461 22 E N 1.605 121.779 120.200 -0.044 0.000 2.058 22 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 22 E C 0.593 177.164 176.600 -0.048 0.000 0.997 22 E CA 1.780 58.147 56.400 -0.055 0.000 0.801 22 E CB -0.069 29.610 29.700 -0.034 0.000 0.746 22 E HN 0.737 9.097 8.360 -0.000 0.000 0.450 23 D N -0.020 120.368 120.400 -0.019 0.000 2.228 23 D HA -0.177 4.463 4.640 -0.000 0.000 0.203 23 D C 1.681 177.988 176.300 0.012 0.000 0.988 23 D CA 1.028 55.030 54.000 0.003 0.000 0.864 23 D CB 0.036 40.847 40.800 0.019 0.000 0.928 23 D HN 0.228 8.598 8.370 -0.000 0.000 0.469 24 E N -0.417 119.776 120.200 -0.011 0.000 2.042 24 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 24 E C 2.101 178.609 176.600 -0.153 0.000 0.974 24 E CA 0.748 57.156 56.400 0.014 0.000 0.806 24 E CB 0.304 30.040 29.700 0.060 0.000 0.769 24 E HN 0.226 8.586 8.360 -0.000 0.000 0.451 25 V N -0.226 119.424 119.914 -0.440 0.000 2.970 25 V HA -0.042 4.078 4.120 -0.000 0.000 0.260 25 V C 1.036 177.056 176.094 -0.124 0.000 1.100 25 V CA 1.345 63.217 62.300 -0.714 0.000 1.122 25 V CB -0.375 31.051 31.823 -0.662 0.000 0.721 25 V HN 0.122 8.312 8.190 -0.000 0.000 0.483 26 N N 0.892 119.555 118.700 -0.061 0.000 2.336 26 N HA 0.149 4.889 4.740 -0.000 0.000 0.189 26 N C 0.667 176.203 175.510 0.044 0.000 1.113 26 N CA 0.732 53.780 53.050 -0.002 0.000 0.858 26 N CB 0.404 38.880 38.487 -0.018 0.000 0.970 26 N HN 0.599 8.979 8.380 -0.000 0.000 0.471 27 S N -0.661 115.099 115.700 0.100 0.000 2.541 27 S HA 0.175 4.645 4.470 -0.000 0.000 0.283 27 S C 1.351 176.078 174.600 0.212 0.000 1.196 27 S CA -0.656 57.623 58.200 0.131 0.000 1.062 27 S CB 0.744 64.027 63.200 0.139 0.000 1.009 27 S HN 0.294 8.604 8.310 -0.000 0.000 0.502 28 c N 2.785 121.471 118.600 0.143 0.000 2.430 28 c HA 0.021 4.591 4.570 -0.000 0.000 0.288 28 c C 1.769 175.980 174.090 0.201 0.000 1.448 28 c CA 0.153 56.570 56.329 0.146 0.000 1.784 28 c CB -1.242 41.308 42.510 0.068 0.000 1.776 28 c HN 0.809 9.039 8.230 -0.000 0.000 0.547 29 D N -1.103 119.418 120.400 0.202 0.000 2.347 29 D HA -0.009 4.631 4.640 -0.000 0.000 0.213 29 D C 0.574 177.024 176.300 0.250 0.000 0.985 29 D CA 0.092 54.208 54.000 0.193 0.000 0.879 29 D CB -0.162 40.732 40.800 0.157 0.000 0.919 29 D HN 0.624 8.994 8.370 -0.000 0.000 0.526 30 Y N 2.407 122.792 120.300 0.142 0.000 2.810 30 Y HA -0.194 4.356 4.550 -0.000 0.000 0.332 30 Y C 1.871 177.757 175.900 -0.023 0.000 1.243 30 Y CA -0.636 57.483 58.100 0.032 0.000 1.537 30 Y CB 0.566 38.937 38.460 -0.149 0.000 1.265 30 Y HN 0.111 8.391 8.280 -0.000 0.000 0.572 31 W N 6.717 127.718 121.300 -0.499 0.000 2.325 31 W HA -0.277 4.383 4.660 0.000 0.000 0.299 31 W C 1.228 177.566 176.519 -0.302 0.000 1.215 31 W CA 1.685 58.824 57.345 -0.344 0.000 1.244 31 W CB -0.578 28.689 29.460 -0.321 0.000 1.140 31 W HN 0.693 8.873 8.180 -0.000 0.000 0.523 32 R N 0.153 119.779 120.500 -1.455 0.000 2.313 32 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 32 R C 0.872 176.990 176.300 -0.303 0.000 0.958 32 R CA 0.912 56.355 56.100 -1.095 0.000 1.047 32 R CB -0.927 28.422 30.300 -1.584 0.000 0.955 32 R HN 0.117 8.387 8.270 -0.000 0.000 0.481 33 H N 0.420 119.477 119.070 -0.022 0.000 2.519 33 H HA 0.083 4.639 4.556 0.000 0.000 0.289 33 H C 1.496 176.887 175.328 0.106 0.000 1.040 33 H CA -0.539 55.604 56.048 0.158 0.000 1.165 33 H CB 0.134 29.976 29.762 0.133 0.000 1.462 33 H HN 0.434 8.714 8.280 -0.000 0.000 0.555 34 c N -0.118 118.612 118.600 0.217 0.000 2.413 34 c HA 0.261 4.831 4.570 -0.000 0.000 0.292 34 c C 1.802 175.920 174.090 0.047 0.000 1.435 34 c CA 0.596 57.011 56.329 0.143 0.000 1.791 34 c CB -0.983 41.629 42.510 0.171 0.000 1.784 34 c HN 0.481 8.711 8.230 -0.000 0.000 0.548 35 A N -0.129 122.642 122.820 -0.082 0.000 2.594 35 A HA 0.589 4.909 4.320 -0.000 0.000 0.292 35 A C 0.001 177.132 177.584 -0.757 0.000 1.026 35 A CA -0.058 51.770 52.037 -0.348 0.000 0.983 35 A CB -0.036 18.834 19.000 -0.217 0.000 1.233 35 A HN 0.332 8.482 8.150 -0.000 0.000 0.519 36 V N 1.153 120.735 119.914 -0.552 0.000 2.530 36 V HA 0.334 4.454 4.120 -0.000 0.000 0.282 36 V C -0.447 175.468 176.094 -0.297 0.000 1.048 36 V CA 0.007 62.030 62.300 -0.462 0.000 0.997 36 V CB 1.447 33.152 31.823 -0.197 0.000 0.987 36 V HN 0.475 8.665 8.190 -0.000 0.000 0.477 37 D N 3.122 123.347 120.400 -0.291 0.000 2.378 37 D HA 0.617 5.257 4.640 -0.000 0.000 0.265 37 D C 0.094 176.203 176.300 -0.318 0.000 1.229 37 D CA 0.668 54.497 54.000 -0.285 0.000 0.914 37 D CB 0.754 41.376 40.800 -0.297 0.000 1.140 37 D HN 0.782 9.152 8.370 -0.000 0.000 0.516 38 G N 0.921 109.534 108.800 -0.311 0.000 2.452 38 G HA2 0.247 4.207 3.960 -0.000 0.000 0.224 38 G HA3 0.247 4.207 3.960 -0.000 0.000 0.224 38 G C -1.546 173.085 174.900 -0.448 0.000 1.208 38 G CA -0.833 44.073 45.100 -0.324 0.000 0.946 38 G HN 0.136 8.426 8.290 -0.000 0.000 0.481 39 F N 0.921 120.983 119.950 0.187 0.000 2.495 39 F HA 0.628 5.155 4.527 -0.000 0.000 0.327 39 F C 0.621 176.384 175.800 -0.061 0.000 1.103 39 F CA -0.823 57.173 58.000 -0.005 0.000 0.949 39 F CB 1.936 40.876 39.000 -0.099 0.000 1.142 39 F HN 0.181 8.481 8.300 -0.000 0.000 0.457 40 L N 2.852 124.108 121.223 0.055 0.000 2.477 40 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 40 L C 0.774 177.629 176.870 -0.026 0.000 1.157 40 L CA -0.350 54.455 54.840 -0.059 0.000 0.889 40 L CB 0.416 42.378 42.059 -0.161 0.000 1.158 40 L HN 0.936 9.166 8.230 -0.000 0.000 0.473 41 c N 0.440 119.033 118.600 -0.012 0.000 2.419 41 c HA -0.142 4.428 4.570 -0.000 0.000 0.281 41 c C 2.751 176.832 174.090 -0.016 0.000 1.336 41 c CA 1.080 57.400 56.329 -0.015 0.000 1.770 41 c CB -0.957 41.568 42.510 0.025 0.000 1.929 41 c HN 1.028 9.258 8.230 -0.000 0.000 0.509 42 S N -0.980 114.711 115.700 -0.015 0.000 2.547 42 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 42 S C 1.087 175.670 174.600 -0.028 0.000 0.980 42 S CA 1.379 59.568 58.200 -0.018 0.000 0.941 42 S CB -0.724 62.464 63.200 -0.020 0.000 0.763 42 S HN 0.723 9.033 8.310 -0.000 0.000 0.532 43 c N 0.034 118.613 118.600 -0.034 0.000 3.183 43 c HA 0.438 5.008 4.570 -0.000 0.000 0.285 43 c C 1.326 175.384 174.090 -0.053 0.000 1.313 43 c CA -0.772 55.535 56.329 -0.037 0.000 1.711 43 c CB -1.359 41.133 42.510 -0.030 0.000 2.135 43 c HN 0.691 8.921 8.230 -0.000 0.000 0.651 44 c N 0.923 119.489 118.600 -0.058 0.000 2.863 44 c HA 0.544 5.114 4.570 -0.000 0.000 0.284 44 c C 1.824 175.913 174.090 -0.002 0.000 1.426 44 c CA 0.398 56.686 56.329 -0.068 0.000 1.782 44 c CB -1.481 40.927 42.510 -0.170 0.000 2.554 44 c HN 0.790 9.020 8.230 -0.000 0.000 0.566 45 G N 0.646 109.443 108.800 -0.005 0.000 2.175 45 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.244 45 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.244 45 G C 0.316 175.222 174.900 0.010 0.000 0.982 45 G CA 0.156 45.259 45.100 0.005 0.000 0.641 45 G HN 0.815 9.105 8.290 -0.000 0.000 0.527 46 G N -1.254 107.553 108.800 0.011 0.000 3.122 46 G HA2 0.961 4.921 3.960 -0.000 0.000 0.180 46 G HA3 0.961 4.921 3.960 -0.000 0.000 0.180 46 G C 0.089 174.990 174.900 0.003 0.000 1.279 46 G CA 0.872 45.980 45.100 0.013 0.000 0.987 46 G HN 1.467 9.757 8.290 -0.000 0.000 0.589 47 T N -4.992 109.566 114.554 0.007 0.000 2.716 47 T HA 0.441 4.790 4.350 -0.000 0.000 0.286 47 T C 1.104 175.815 174.700 0.018 0.000 1.052 47 T CA 0.493 62.594 62.100 0.002 0.000 1.024 47 T CB 1.029 69.894 68.868 -0.005 0.000 1.349 47 T HN 0.241 8.481 8.240 -0.000 0.000 0.525 48 T N 1.261 115.828 114.554 0.021 0.000 2.929 48 T HA 0.003 4.353 4.350 -0.000 0.000 0.271 48 T C 1.579 176.304 174.700 0.041 0.000 1.085 48 T CA 1.917 64.050 62.100 0.056 0.000 1.125 48 T CB -0.615 68.284 68.868 0.051 0.000 0.874 48 T HN 0.968 9.208 8.240 -0.000 0.000 0.494 49 T N -0.595 113.970 114.554 0.018 0.000 3.170 49 T HA 0.256 4.606 4.350 -0.000 0.000 0.288 49 T C 0.329 175.032 174.700 0.004 0.000 0.992 49 T CA -0.358 61.747 62.100 0.009 0.000 0.909 49 T CB 0.210 69.073 68.868 -0.008 0.000 1.133 49 T HN 0.367 8.607 8.240 -0.000 0.000 0.530 50 T N -0.462 114.099 114.554 0.012 0.000 2.881 50 T HA 0.592 4.942 4.350 -0.000 0.000 0.290 50 T C -0.113 174.600 174.700 0.022 0.000 1.000 50 T CA -0.664 61.441 62.100 0.009 0.000 0.978 50 T CB 0.799 69.668 68.868 0.001 0.000 0.997 50 T HN 0.220 8.460 8.240 -0.000 0.000 0.443 51 c N 4.704 123.319 118.600 0.024 0.000 2.644 51 c HA 0.414 4.984 4.570 -0.000 0.000 0.417 51 c C -1.711 172.399 174.090 0.033 0.000 1.304 51 c CA -0.527 55.827 56.329 0.042 0.000 2.035 51 c CB -0.261 42.271 42.510 0.037 0.000 2.673 51 c HN 0.713 8.943 8.230 -0.000 0.000 0.602 52 P HA 0.162 4.582 4.420 -0.000 0.000 0.270 52 P C -2.503 174.796 177.300 -0.001 0.000 1.223 52 P CA -0.638 62.489 63.100 0.045 0.000 0.785 52 P CB -0.143 31.630 31.700 0.123 0.000 0.923 53 P HA -0.013 4.407 4.420 -0.000 0.000 0.260 53 P C 0.946 178.207 177.300 -0.065 0.000 1.172 53 P CA 1.699 64.780 63.100 -0.032 0.000 0.760 53 P CB -0.142 31.543 31.700 -0.026 0.000 0.773 54 G N 2.021 110.782 108.800 -0.064 0.000 2.199 54 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 54 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 54 G C 0.278 175.107 174.900 -0.119 0.000 0.982 54 G CA 0.263 45.311 45.100 -0.087 0.000 0.632 54 G HN 0.796 9.086 8.290 -0.000 0.000 0.529 55 S N -0.168 115.457 115.700 -0.124 0.000 2.578 55 S HA 0.748 5.218 4.470 -0.000 0.000 0.283 55 S C -0.186 174.393 174.600 -0.035 0.000 1.195 55 S CA 0.291 58.416 58.200 -0.124 0.000 1.050 55 S CB 2.248 65.364 63.200 -0.139 0.000 1.012 55 S HN 0.548 8.858 8.310 -0.000 0.000 0.511 56 T N 4.065 118.615 114.554 -0.007 0.000 2.771 56 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 56 T C -2.730 172.004 174.700 0.058 0.000 0.982 56 T CA -1.266 60.847 62.100 0.022 0.000 0.978 56 T CB 1.233 70.116 68.868 0.026 0.000 0.930 56 T HN 0.453 8.693 8.240 -0.000 0.000 0.447 57 P HA 0.141 4.561 4.420 -0.000 0.000 0.268 57 P C -0.289 177.071 177.300 0.100 0.000 1.205 57 P CA -0.359 62.780 63.100 0.065 0.000 0.771 57 P CB 0.393 32.095 31.700 0.003 0.000 0.858 58 S N 3.548 119.353 115.700 0.175 0.000 2.562 58 S HA 0.362 4.832 4.470 -0.000 0.000 0.275 58 S C -1.544 173.196 174.600 0.233 0.000 1.281 58 S CA -1.122 57.213 58.200 0.225 0.000 1.045 58 S CB 0.775 64.161 63.200 0.311 0.000 0.962 58 S HN 0.347 8.657 8.310 -0.000 0.000 0.503 59 P HA 0.085 4.505 4.420 -0.000 0.000 0.222 59 P C 0.773 178.218 177.300 0.242 0.000 1.153 59 P CA 0.536 63.732 63.100 0.160 0.000 0.798 59 P CB -0.176 31.597 31.700 0.122 0.000 0.796 60 I N -2.439 118.289 120.570 0.263 0.000 3.204 60 I HA 0.669 4.839 4.170 -0.000 0.000 0.313 60 I C -0.008 176.064 176.117 -0.075 0.000 1.082 60 I CA -1.063 60.328 61.300 0.152 0.000 1.033 60 I CB 1.786 39.985 38.000 0.332 0.000 1.304 60 I HN -0.078 8.132 8.210 -0.000 0.000 0.536 64 G N 2.616 111.551 108.800 0.226 0.000 2.519 64 G HA2 0.719 4.679 3.960 -0.000 0.000 0.307 64 G HA3 0.719 4.679 3.960 -0.000 0.000 0.307 64 G C -1.183 173.822 174.900 0.175 0.000 1.266 64 G CA -0.442 44.822 45.100 0.274 0.000 0.970 64 G HN 0.417 8.707 8.290 -0.000 0.000 0.481 65 T N 0.854 115.505 114.554 0.160 0.000 2.821 65 T HA 0.418 4.768 4.350 -0.000 0.000 0.307 65 T C -0.341 174.474 174.700 0.192 0.000 1.034 65 T CA -0.202 61.987 62.100 0.149 0.000 0.953 65 T CB 0.284 69.217 68.868 0.109 0.000 0.968 65 T HN 0.560 8.800 8.240 -0.000 0.000 0.462 66 c N 2.622 121.375 118.600 0.254 0.000 2.391 66 c HA 0.523 5.093 4.570 -0.000 0.000 0.339 66 c C 0.356 174.688 174.090 0.404 0.000 1.205 66 c CA -0.891 55.633 56.329 0.325 0.000 1.937 66 c CB 0.202 42.911 42.510 0.332 0.000 2.341 66 c HN 0.924 9.154 8.230 -0.000 0.000 0.516 67 H N 2.257 121.474 119.070 0.246 0.000 2.552 67 H HA 0.302 4.858 4.556 -0.000 0.000 0.311 67 H C 0.050 175.417 175.328 0.065 0.000 1.071 67 H CA 0.173 56.299 56.048 0.131 0.000 1.307 67 H CB 0.435 30.228 29.762 0.052 0.000 1.416 67 H HN 0.615 8.895 8.280 -0.000 0.000 0.464 68 N N 7.040 125.331 118.700 -0.681 0.000 2.439 68 N HA 0.083 4.823 4.740 -0.000 0.000 0.243 68 N C -1.956 172.963 175.510 -0.985 0.000 1.088 68 N CA -2.250 50.097 53.050 -1.173 0.000 0.940 68 N CB 1.113 38.742 38.487 -1.430 0.000 1.180 68 N HN 0.508 8.888 8.380 -0.000 0.000 0.505 69 P HA -0.069 4.351 4.420 -0.000 0.000 0.234 69 P C 0.062 177.053 177.300 -0.515 0.000 1.167 69 P CA 1.059 63.868 63.100 -0.485 0.000 0.763 69 P CB 0.257 31.764 31.700 -0.322 0.000 0.835 70 H N 0.353 119.142 119.070 -0.469 0.000 2.525 70 H HA -0.004 4.552 4.556 -0.000 0.000 0.275 70 H C 1.217 176.322 175.328 -0.372 0.000 0.984 70 H CA 1.533 57.374 56.048 -0.345 0.000 1.264 70 H CB -0.094 29.464 29.762 -0.339 0.000 1.432 70 H HN 0.281 8.561 8.280 -0.000 0.000 0.549 71 D N -1.921 118.251 120.400 -0.380 0.000 2.520 71 D HA 0.126 4.765 4.640 -0.000 0.000 0.223 71 D C 1.596 177.773 176.300 -0.205 0.000 1.186 71 D CA 0.434 54.253 54.000 -0.301 0.000 0.821 71 D CB -0.109 40.441 40.800 -0.417 0.000 1.072 71 D HN 0.266 8.636 8.370 -0.000 0.000 0.518 72 G N 0.846 109.488 108.800 -0.263 0.000 2.175 72 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.265 72 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.265 72 G C 0.131 175.007 174.900 -0.040 0.000 0.979 72 G CA 0.776 45.807 45.100 -0.115 0.000 0.663 72 G HN 0.502 8.792 8.290 -0.000 0.000 0.533 73 K N 0.195 120.475 120.400 -0.200 0.000 2.123 73 K HA 0.535 4.855 4.320 -0.000 0.000 0.248 73 K C -0.902 175.588 176.600 -0.183 0.000 0.969 73 K CA -0.957 55.219 56.287 -0.185 0.000 0.882 73 K CB 1.024 33.334 32.500 -0.316 0.000 1.080 73 K HN 0.016 8.266 8.250 -0.000 0.000 0.441 74 D N 0.837 121.138 120.400 -0.166 0.000 2.168 74 D HA 0.299 4.939 4.640 -0.000 0.000 0.246 74 D C -0.948 175.226 176.300 -0.210 0.000 1.050 74 D CA -0.038 53.953 54.000 -0.016 0.000 0.857 74 D CB 0.828 41.662 40.800 0.056 0.000 1.169 74 D HN 0.261 8.631 8.370 -0.000 0.000 0.453 75 Y N 0.173 120.545 120.300 0.121 0.000 2.536 75 Y HA 0.415 4.964 4.550 -0.000 0.000 0.347 75 Y C 0.068 176.036 175.900 0.113 0.000 1.000 75 Y CA -0.987 57.192 58.100 0.132 0.000 1.051 75 Y CB 1.464 40.067 38.460 0.239 0.000 1.259 75 Y HN 0.093 8.373 8.280 -0.000 0.000 0.468 76 L N 4.194 125.546 121.223 0.216 0.000 2.290 76 L HA 0.369 4.709 4.340 -0.000 0.000 0.284 76 L C -0.876 176.018 176.870 0.040 0.000 1.078 76 L CA -0.294 54.608 54.840 0.104 0.000 0.815 76 L CB 0.398 42.492 42.059 0.057 0.000 1.162 76 L HN 0.400 8.630 8.230 -0.000 0.000 0.435 77 I N 2.470 123.004 120.570 -0.060 0.000 2.433 77 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 77 I C 0.066 175.932 176.117 -0.419 0.000 1.001 77 I CA -0.230 60.893 61.300 -0.295 0.000 1.119 77 I CB 1.751 39.453 38.000 -0.497 0.000 1.289 77 I HN 0.427 8.637 8.210 -0.000 0.000 0.438 78 S N 6.258 121.727 115.700 -0.385 0.000 2.422 78 S HA 0.446 4.916 4.470 -0.000 0.000 0.308 78 S C -0.832 173.507 174.600 -0.435 0.000 1.097 78 S CA -0.331 57.662 58.200 -0.345 0.000 1.099 78 S CB -0.010 63.099 63.200 -0.152 0.000 0.976 78 S HN 0.313 8.623 8.310 -0.000 0.000 0.471 79 Y N 5.558 125.713 120.300 -0.242 0.000 2.714 79 Y HA 0.269 4.819 4.550 -0.000 0.000 0.333 79 Y C 1.190 176.965 175.900 -0.208 0.000 1.220 79 Y CA -0.611 57.400 58.100 -0.148 0.000 1.513 79 Y CB 0.016 38.422 38.460 -0.089 0.000 1.435 79 Y HN 0.592 8.872 8.280 -0.000 0.000 0.489 80 H N 1.587 120.702 119.070 0.075 0.000 2.562 80 H HA 0.165 4.721 4.556 -0.000 0.000 0.352 80 H C -0.462 174.981 175.328 0.191 0.000 1.125 80 H CA -0.141 55.964 56.048 0.094 0.000 1.379 80 H CB 1.192 30.982 29.762 0.047 0.000 1.464 80 H HN 0.510 8.790 8.280 -0.000 0.000 0.563 81 D N 0.751 121.370 120.400 0.365 0.000 2.326 81 D HA 0.219 4.859 4.640 -0.000 0.000 0.251 81 D C -0.289 176.179 176.300 0.281 0.000 1.023 81 D CA -0.245 53.986 54.000 0.385 0.000 0.966 81 D CB 1.573 42.684 40.800 0.518 0.000 1.156 81 D HN 0.376 8.746 8.370 -0.000 0.000 0.494 82 c N 1.308 120.039 118.600 0.217 0.000 2.329 82 c HA 0.611 5.181 4.570 -0.000 0.000 0.329 82 c C 0.362 174.538 174.090 0.143 0.000 1.275 82 c CA -0.601 55.819 56.329 0.151 0.000 1.726 82 c CB -0.257 42.337 42.510 0.140 0.000 2.291 82 c HN 0.575 8.805 8.230 -0.000 0.000 0.514 83 c N 0.832 119.501 118.600 0.114 0.000 2.871 83 c HA 0.937 5.507 4.570 -0.000 0.000 0.351 83 c C 1.308 175.412 174.090 0.024 0.000 1.338 83 c CA 0.481 56.871 56.329 0.103 0.000 1.686 83 c CB 0.670 43.264 42.510 0.141 0.000 2.135 83 c HN 1.224 9.454 8.230 -0.000 0.000 0.476 84 G N 0.589 109.404 108.800 0.025 0.000 2.175 84 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.244 84 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.244 84 G C -0.346 174.513 174.900 -0.069 0.000 0.982 84 G CA 0.418 45.507 45.100 -0.018 0.000 0.641 84 G HN 0.755 9.045 8.290 -0.000 0.000 0.527 85 K N 0.360 120.703 120.400 -0.095 0.000 2.512 85 K HA 0.579 4.899 4.320 -0.000 0.000 0.263 85 K C 0.482 177.090 176.600 0.013 0.000 0.966 85 K CA -0.276 55.929 56.287 -0.137 0.000 0.851 85 K CB 1.755 33.979 32.500 -0.460 0.000 1.395 85 K HN 0.270 8.520 8.250 -0.000 0.000 0.440 86 T N -1.087 113.488 114.554 0.034 0.000 2.802 86 T HA 0.287 4.637 4.350 -0.000 0.000 0.305 86 T C 0.587 175.333 174.700 0.076 0.000 1.053 86 T CA -0.771 61.366 62.100 0.061 0.000 1.058 86 T CB 0.628 69.511 68.868 0.026 0.000 0.988 86 T HN 0.627 8.867 8.240 -0.000 0.000 0.539 87 A N 0.470 123.297 122.820 0.013 0.000 2.591 87 A HA 0.078 4.398 4.320 -0.000 0.000 0.244 87 A C 1.874 179.210 177.584 -0.414 0.000 1.031 87 A CA 0.068 52.019 52.037 -0.144 0.000 0.767 87 A CB -0.966 18.032 19.000 -0.002 0.000 0.942 87 A HN 1.230 9.380 8.150 -0.000 0.000 0.514 88 c N 2.690 120.826 118.600 -0.773 0.000 2.440 88 c HA 0.247 4.817 4.570 -0.000 0.000 0.278 88 c C 2.227 175.831 174.090 -0.810 0.000 1.295 88 c CA 1.452 57.320 56.329 -0.769 0.000 1.738 88 c CB -1.693 40.297 42.510 -0.866 0.000 1.987 88 c HN 2.256 10.486 8.230 -0.000 0.000 0.492 89 G N 0.623 108.478 108.800 -1.576 0.000 2.168 89 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 89 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 89 G C 0.138 174.767 174.900 -0.452 0.000 0.977 89 G CA 0.583 45.062 45.100 -1.036 0.000 0.659 89 G HN 0.732 9.023 8.290 -0.000 0.000 0.533 90 R N -1.484 118.787 120.500 -0.382 0.000 2.562 90 R HA 0.568 4.908 4.340 -0.000 0.000 0.298 90 R C 0.652 177.011 176.300 0.099 0.000 0.961 90 R CA -0.174 55.878 56.100 -0.079 0.000 0.881 90 R CB 1.292 31.526 30.300 -0.110 0.000 1.159 90 R HN 0.617 8.887 8.270 -0.000 0.000 0.450 91 c N 2.373 121.039 118.600 0.109 0.000 4.234 91 c HA -0.106 4.464 4.570 -0.000 0.000 0.308 91 c C 0.548 174.729 174.090 0.151 0.000 1.286 91 c CA 0.296 56.684 56.329 0.098 0.000 2.102 91 c CB -1.812 40.720 42.510 0.036 0.000 1.311 91 c HN 0.673 8.903 8.230 -0.000 0.000 0.689 92 Q N 0.066 119.982 119.800 0.194 0.000 2.297 92 Q HA 0.454 4.794 4.340 -0.000 0.000 0.267 92 Q C 0.048 176.015 176.000 -0.054 0.000 1.006 92 Q CA 0.710 56.532 55.803 0.031 0.000 0.896 92 Q CB 0.998 29.767 28.738 0.052 0.000 1.186 92 Q HN 0.818 9.088 8.270 -0.000 0.000 0.392 93 c N 3.475 121.994 118.600 -0.136 0.000 2.712 93 c HA 0.507 5.077 4.570 -0.000 0.000 0.308 93 c C 0.160 174.163 174.090 -0.145 0.000 1.201 93 c CA -0.894 55.373 56.329 -0.103 0.000 1.554 93 c CB 1.420 43.878 42.510 -0.086 0.000 2.117 93 c HN 0.925 9.155 8.230 -0.000 0.000 0.480 94 N N 0.907 119.544 118.700 -0.106 0.000 2.725 94 N HA 0.330 5.070 4.740 -0.000 0.000 0.248 94 N C -1.102 174.356 175.510 -0.086 0.000 1.402 94 N CA 0.087 53.064 53.050 -0.121 0.000 0.766 94 N CB 0.754 39.174 38.487 -0.112 0.000 1.223 94 N HN 0.722 9.102 8.380 -0.000 0.000 0.515 95 T N 1.073 115.572 114.554 -0.092 0.000 2.855 95 T HA 0.343 4.693 4.350 -0.000 0.000 0.281 95 T C 0.401 175.052 174.700 -0.082 0.000 1.007 95 T CA -0.561 61.506 62.100 -0.056 0.000 1.009 95 T CB 1.804 70.663 68.868 -0.016 0.000 0.983 95 T HN 0.222 8.462 8.240 -0.000 0.000 0.455 96 Q N 0.680 120.452 119.800 -0.047 0.000 2.135 96 Q HA 0.154 4.494 4.340 -0.000 0.000 0.222 96 Q C 0.097 176.091 176.000 -0.010 0.000 0.808 96 Q CA -0.140 55.636 55.803 -0.045 0.000 1.049 96 Q CB 0.411 29.126 28.738 -0.037 0.000 1.168 96 Q HN 0.629 8.899 8.270 -0.000 0.000 0.483 97 T N 2.885 117.447 114.554 0.012 0.000 2.750 97 T HA -0.043 4.307 4.350 -0.000 0.000 0.277 97 T C 0.819 175.550 174.700 0.052 0.000 0.996 97 T CA 0.356 62.482 62.100 0.043 0.000 1.195 97 T CB 0.144 69.058 68.868 0.076 0.000 0.963 97 T HN 0.256 8.496 8.240 -0.000 0.000 0.516 98 R N 0.148 120.676 120.500 0.048 0.000 4.000 98 R HA -0.139 4.201 4.340 -0.000 0.000 0.362 98 R C 0.243 176.573 176.300 0.051 0.000 1.183 98 R CA 0.648 56.782 56.100 0.055 0.000 1.011 98 R CB -1.333 29.012 30.300 0.075 0.000 1.501 98 R HN 0.756 9.026 8.270 -0.000 0.000 0.553 99 E N 1.685 121.905 120.200 0.032 0.000 2.354 99 E HA 0.175 4.525 4.350 -0.000 0.000 0.269 99 E C -0.129 176.492 176.600 0.033 0.000 1.036 99 E CA 0.091 56.507 56.400 0.027 0.000 0.876 99 E CB 0.615 30.310 29.700 -0.009 0.000 1.009 99 E HN -0.002 8.358 8.360 -0.000 0.000 0.416 100 R N 3.475 123.998 120.500 0.040 0.000 2.854 100 R HA 0.492 4.832 4.340 -0.000 0.000 0.271 100 R C -2.314 173.910 176.300 -0.126 0.000 0.994 100 R CA -2.316 53.767 56.100 -0.028 0.000 0.945 100 R CB 0.839 31.131 30.300 -0.015 0.000 1.194 100 R HN 0.406 8.676 8.270 -0.000 0.000 0.476 101 P HA 0.006 4.426 4.420 -0.000 0.000 0.272 101 P C 0.876 177.562 177.300 -1.024 0.000 1.248 101 P CA 0.134 62.751 63.100 -0.806 0.000 0.799 101 P CB 0.373 31.529 31.700 -0.907 0.000 0.997 102 G N 0.053 108.185 108.800 -1.113 0.000 2.485 102 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 102 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 102 G C 0.949 175.755 174.900 -0.156 0.000 1.115 102 G CA 0.849 45.651 45.100 -0.497 0.000 0.751 102 G HN 0.655 8.945 8.290 -0.000 0.000 0.567 103 Y N -0.432 119.833 120.300 -0.058 0.000 2.639 103 Y HA 0.276 4.826 4.550 -0.000 0.000 0.297 103 Y C 1.120 177.044 175.900 0.040 0.000 1.151 103 Y CA 0.047 58.140 58.100 -0.011 0.000 1.335 103 Y CB -0.078 38.367 38.460 -0.024 0.000 0.994 103 Y HN 0.193 8.473 8.280 -0.000 0.000 0.548 104 E N 0.052 120.268 120.200 0.027 0.000 3.896 104 E HA 0.085 4.435 4.350 -0.000 0.000 0.217 104 E C 0.030 176.701 176.600 0.117 0.000 1.150 104 E CA -0.413 56.061 56.400 0.124 0.000 1.338 104 E CB -0.281 29.474 29.700 0.090 0.000 1.242 104 E HN 0.274 8.634 8.360 -0.000 0.000 0.435 105 F N 0.520 120.424 119.950 -0.076 0.000 2.063 105 F HA -0.290 4.237 4.527 -0.000 0.000 0.297 105 F C 1.327 177.102 175.800 -0.041 0.000 1.099 105 F CA 1.837 59.745 58.000 -0.155 0.000 1.220 105 F CB -0.176 38.589 39.000 -0.392 0.000 0.972 105 F HN 0.287 8.587 8.300 -0.000 0.000 0.487 106 F N -0.440 119.678 119.950 0.280 0.000 2.795 106 F HA 0.042 4.569 4.527 -0.000 0.000 0.303 106 F C 1.326 177.126 175.800 0.001 0.000 1.186 106 F CA 0.251 58.289 58.000 0.063 0.000 1.415 106 F CB -0.333 38.663 39.000 -0.006 0.000 1.106 106 F HN -0.050 8.250 8.300 -0.000 0.000 0.558 107 L N -1.550 119.778 121.223 0.174 0.000 2.966 107 L HA 0.166 4.506 4.340 -0.000 0.000 0.262 107 L C 0.309 177.260 176.870 0.134 0.000 1.165 107 L CA -0.015 54.902 54.840 0.129 0.000 0.978 107 L CB -0.019 42.109 42.059 0.114 0.000 1.337 107 L HN 0.136 8.366 8.230 -0.000 0.000 0.563 108 H N 2.044 121.119 119.070 0.009 0.000 2.517 108 H HA 0.158 4.714 4.556 -0.000 0.000 0.317 108 H C -0.094 175.236 175.328 0.004 0.000 1.080 108 H CA -0.327 55.683 56.048 -0.065 0.000 1.301 108 H CB 1.361 31.012 29.762 -0.185 0.000 1.425 108 H HN 0.171 8.451 8.280 -0.000 0.000 0.471 109 N N 3.233 121.710 118.700 -0.372 0.000 2.389 109 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 109 N C -0.876 174.288 175.510 -0.577 0.000 1.191 109 N CA -0.432 52.406 53.050 -0.353 0.000 0.885 109 N CB 0.386 38.734 38.487 -0.232 0.000 1.162 109 N HN 0.454 8.834 8.380 -0.000 0.000 0.512 110 D N 0.192 119.988 120.400 -1.007 0.000 2.462 110 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 110 D C -0.142 175.822 176.300 -0.560 0.000 1.173 110 D CA 0.053 53.650 54.000 -0.671 0.000 0.831 110 D CB 1.184 41.700 40.800 -0.472 0.000 1.001 110 D HN 0.305 8.675 8.370 -0.000 0.000 0.499 111 V N -1.093 118.398 119.914 -0.704 0.000 2.709 111 V HA 0.479 4.599 4.120 -0.000 0.000 0.308 111 V C -0.174 175.432 176.094 -0.814 0.000 1.062 111 V CA -1.339 60.564 62.300 -0.662 0.000 0.901 111 V CB 1.959 33.333 31.823 -0.749 0.000 1.003 111 V HN -0.183 8.007 8.190 -0.000 0.000 0.425 112 N N 3.147 121.509 118.700 -0.563 0.000 2.427 112 N HA 0.129 4.869 4.740 -0.000 0.000 0.269 112 N C 0.058 175.315 175.510 -0.422 0.000 1.235 112 N CA 0.033 52.816 53.050 -0.444 0.000 0.934 112 N CB 0.299 38.648 38.487 -0.230 0.000 1.121 112 N HN 0.883 9.263 8.380 -0.000 0.000 0.480 113 W N 2.478 123.723 121.300 -0.092 0.000 3.310 113 W HA 0.126 4.786 4.660 0.000 0.000 0.259 113 W C 1.090 177.667 176.519 0.096 0.000 1.324 113 W CA -0.573 56.771 57.345 -0.001 0.000 1.636 113 W CB 0.182 29.635 29.460 -0.011 0.000 1.104 113 W HN 0.573 8.753 8.180 -0.000 0.000 0.722 114 c N 0.626 119.371 118.600 0.241 0.000 2.791 114 c HA 0.012 4.582 4.570 -0.000 0.000 0.270 114 c C 2.728 176.919 174.090 0.168 0.000 1.257 114 c CA 0.048 56.522 56.329 0.241 0.000 1.699 114 c CB -1.411 41.258 42.510 0.266 0.000 1.904 114 c HN 0.533 8.763 8.230 -0.000 0.000 0.603 115 M N 0.625 120.295 119.600 0.117 0.000 2.195 115 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 115 M C 1.737 178.107 176.300 0.117 0.000 1.066 115 M CA 2.581 57.930 55.300 0.082 0.000 1.089 115 M CB -0.464 32.150 32.600 0.022 0.000 1.377 115 M HN 0.200 8.490 8.290 -0.000 0.000 0.411 116 A N 0.505 123.425 122.820 0.168 0.000 2.308 116 A HA 0.258 4.577 4.320 -0.000 0.000 0.217 116 A C 0.462 178.124 177.584 0.129 0.000 1.216 116 A CA -0.437 51.692 52.037 0.154 0.000 0.864 116 A CB -0.489 18.628 19.000 0.195 0.000 0.902 116 A HN 0.631 8.781 8.150 -0.000 0.000 0.499 117 N N -0.063 118.715 118.700 0.131 0.000 2.399 117 N HA 0.008 4.748 4.740 -0.000 0.000 0.250 117 N C 0.723 176.281 175.510 0.081 0.000 1.272 117 N CA 0.002 53.117 53.050 0.108 0.000 0.928 117 N CB 0.607 39.165 38.487 0.118 0.000 1.158 117 N HN 0.426 8.806 8.380 -0.000 0.000 0.463 118 E N 0.398 120.637 120.200 0.065 0.000 2.130 118 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 118 E C 0.061 176.689 176.600 0.047 0.000 0.998 118 E CA 1.106 57.535 56.400 0.049 0.000 0.806 118 E CB 0.203 29.926 29.700 0.038 0.000 0.738 118 E HN 0.410 8.770 8.360 -0.000 0.000 0.459 119 N N -0.855 117.876 118.700 0.053 0.000 2.430 119 N HA 0.024 4.764 4.740 -0.000 0.000 0.290 119 N C -0.345 175.209 175.510 0.073 0.000 1.063 119 N CA 0.053 53.134 53.050 0.051 0.000 0.883 119 N CB 1.763 40.272 38.487 0.036 0.000 1.465 119 N HN -0.029 8.351 8.380 -0.000 0.000 0.493 120 S N 0.843 116.589 115.700 0.076 0.000 2.593 120 S HA -0.041 4.429 4.470 -0.000 0.000 0.217 120 S C 1.015 175.688 174.600 0.122 0.000 0.966 120 S CA -0.183 58.075 58.200 0.098 0.000 0.914 120 S CB -0.490 62.756 63.200 0.077 0.000 0.776 120 S HN 0.655 8.965 8.310 -0.000 0.000 0.523 121 T N 1.245 115.865 114.554 0.110 0.000 2.834 121 T HA 0.315 4.665 4.350 -0.000 0.000 0.298 121 T C -0.361 174.462 174.700 0.205 0.000 0.966 121 T CA -0.728 61.456 62.100 0.139 0.000 1.141 121 T CB -0.271 68.653 68.868 0.093 0.000 0.905 121 T HN 0.253 8.493 8.240 -0.000 0.000 0.535 122 F N 4.898 124.906 119.950 0.096 0.000 2.504 122 F HA 0.310 4.837 4.527 -0.000 0.000 0.369 122 F C 0.931 176.850 175.800 0.198 0.000 1.082 122 F CA -0.457 57.624 58.000 0.135 0.000 1.216 122 F CB 0.746 39.810 39.000 0.107 0.000 1.108 122 F HN 0.924 9.224 8.300 -0.000 0.000 0.554 123 H N 4.998 123.693 119.070 -0.625 0.000 2.368 123 H HA 0.280 4.836 4.556 -0.000 0.000 0.311 123 H C -0.059 174.773 175.328 -0.827 0.000 1.042 123 H CA 1.216 56.926 56.048 -0.563 0.000 1.377 123 H CB 0.411 30.014 29.762 -0.266 0.000 1.473 123 H HN 0.707 8.987 8.280 -0.000 0.000 0.593 124 c N -1.683 116.395 118.600 -0.870 0.000 3.306 124 c HA 0.701 5.271 4.570 -0.000 0.000 0.335 124 c C -0.609 173.464 174.090 -0.028 0.000 1.382 124 c CA -0.794 55.242 56.329 -0.488 0.000 1.254 124 c CB 1.381 43.707 42.510 -0.307 0.000 1.555 124 c HN 0.394 8.624 8.230 -0.000 0.000 0.463 125 T N 2.075 116.749 114.554 0.200 0.000 2.823 125 T HA 0.785 5.135 4.350 -0.000 0.000 0.279 125 T C 0.252 175.062 174.700 0.184 0.000 0.998 125 T CA 0.066 62.339 62.100 0.289 0.000 0.994 125 T CB 1.544 70.588 68.868 0.295 0.000 0.960 125 T HN 1.152 9.392 8.240 -0.000 0.000 0.448 126 T N -0.432 114.252 114.554 0.216 0.000 2.948 126 T HA 0.668 5.018 4.350 -0.000 0.000 0.285 126 T C -0.262 174.557 174.700 0.199 0.000 1.019 126 T CA -0.848 61.354 62.100 0.171 0.000 1.013 126 T CB 1.385 70.337 68.868 0.141 0.000 1.117 126 T HN 0.283 8.523 8.240 -0.000 0.000 0.533 127 S N 1.193 116.968 115.700 0.124 0.000 2.252 127 S HA 0.424 4.894 4.470 -0.000 0.000 0.187 127 S C -0.329 174.191 174.600 -0.134 0.000 1.587 127 S CA -0.694 57.486 58.200 -0.033 0.000 1.215 127 S CB 0.338 63.638 63.200 0.167 0.000 1.085 127 S HN 0.690 9.000 8.310 -0.000 0.000 0.466 128 V N 3.349 123.182 119.914 -0.135 0.000 2.530 128 V HA 0.267 4.387 4.120 -0.000 0.000 0.282 128 V C 0.201 176.212 176.094 -0.138 0.000 1.048 128 V CA -0.694 61.557 62.300 -0.083 0.000 0.997 128 V CB 0.944 32.786 31.823 0.032 0.000 0.987 128 V HN 0.643 8.833 8.190 -0.000 0.000 0.477 129 L N 6.290 127.452 121.223 -0.101 0.000 2.315 129 L HA 0.283 4.623 4.340 -0.000 0.000 0.283 129 L C 0.736 177.600 176.870 -0.011 0.000 1.089 129 L CA 0.729 55.526 54.840 -0.071 0.000 0.833 129 L CB 1.179 43.202 42.059 -0.061 0.000 1.170 129 L HN 0.491 8.721 8.230 -0.000 0.000 0.442 130 V N 4.600 124.520 119.914 0.010 0.000 2.300 130 V HA 0.514 4.634 4.120 -0.000 0.000 0.241 130 V C 1.183 177.318 176.094 0.069 0.000 1.034 130 V CA 1.078 63.395 62.300 0.028 0.000 1.021 130 V CB -0.751 31.080 31.823 0.013 0.000 0.662 130 V HN 0.998 9.188 8.190 -0.000 0.000 0.458 131 G N -1.438 107.441 108.800 0.130 0.000 2.317 131 G HA2 0.310 4.269 3.960 -0.000 0.000 0.293 131 G HA3 0.310 4.269 3.960 -0.000 0.000 0.293 131 G C -1.534 173.494 174.900 0.212 0.000 1.287 131 G CA -0.925 44.281 45.100 0.177 0.000 0.850 131 G HN 0.114 8.404 8.290 -0.000 0.000 0.515 132 L N 0.794 122.070 121.223 0.089 0.000 2.461 132 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 132 L C 1.190 178.007 176.870 -0.089 0.000 1.197 132 L CA -0.186 54.557 54.840 -0.161 0.000 0.836 132 L CB 1.035 42.963 42.059 -0.218 0.000 1.105 132 L HN 0.811 9.041 8.230 -0.000 0.000 0.477 133 A N 5.127 127.870 122.820 -0.128 0.000 2.302 133 A HA 0.557 4.877 4.320 -0.000 0.000 0.295 133 A C -0.300 177.249 177.584 -0.060 0.000 1.235 133 A CA -0.394 51.613 52.037 -0.051 0.000 0.876 133 A CB 0.171 19.160 19.000 -0.019 0.000 1.133 133 A HN 0.740 8.890 8.150 -0.000 0.000 0.533 134 K N 0.000 120.380 120.400 -0.033 0.000 2.780 134 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 134 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 134 K CB 0.000 32.480 32.500 -0.034 0.000 1.064 134 K HN 0.000 8.250 8.250 -0.000 0.000 0.543