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 1d1d_7_A DATA FIRST_RESID 11 DATA SEQUENCE WTPLEPKLIT RLADTVRTKG LRSPITMAEV EALMSSPLLP HDVTNLMRVI DATA SEQUENCE LGPAPYALWM DAWGVQLQTV IAAATRDPRH PANGQGRGER TNLDRLKGLA DATA SEQUENCE DGMVGNPQGQ AALLRPGELV AITASALQAF REVARLAEPA GPWADITQGP DATA SEQUENCE SESFVDFANR LIKAVEGSDL PPSARAPVII DCFRQKSQPD IQQLIRAAPS DATA SEQUENCE TLTTPGEIIK YVLDRQKIAP 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 11 W HA 0.000 4.665 4.660 0.008 0.000 0.303 11 W C 0.000 176.521 176.519 0.003 0.000 1.175 11 W CA 0.000 57.349 57.345 0.007 0.000 1.226 11 W CB 0.000 29.464 29.460 0.007 0.000 1.126 12 T N 9.214 123.775 114.554 0.010 0.000 2.876 12 T HA 0.466 4.622 4.350 -0.322 0.000 0.289 12 T C -2.406 172.214 174.700 -0.132 0.000 1.014 12 T CA -1.907 60.097 62.100 -0.160 0.000 0.986 12 T CB 1.972 70.805 68.868 -0.058 0.000 1.021 12 T HN 0.124 8.486 8.240 0.203 0.000 0.458 13 P HA 0.110 4.501 4.420 -0.048 0.000 0.276 13 P C -1.283 175.988 177.300 -0.047 0.000 1.235 13 P CA -0.788 62.246 63.100 -0.110 0.000 0.772 13 P CB 0.728 32.336 31.700 -0.154 0.000 0.871 14 L N 3.623 124.845 121.223 -0.002 0.000 2.678 14 L HA -0.102 4.230 4.340 -0.013 0.000 0.276 14 L C -0.704 176.153 176.870 -0.022 0.000 1.142 14 L CA 0.556 55.393 54.840 -0.005 0.000 0.961 14 L CB -0.867 41.203 42.059 0.018 0.000 1.291 14 L HN 0.165 8.413 8.230 0.030 0.000 0.476 15 E N 7.405 127.582 120.200 -0.038 0.000 2.272 15 E HA 0.453 4.783 4.350 -0.034 0.000 0.269 15 E C -1.736 174.835 176.600 -0.050 0.000 0.877 15 E CA -3.311 53.064 56.400 -0.042 0.000 0.755 15 E CB 2.710 32.380 29.700 -0.049 0.000 1.192 15 E HN -0.367 7.967 8.360 -0.044 0.000 0.422 16 P HA 0.010 4.390 4.420 -0.066 0.000 0.219 16 P C 0.412 177.678 177.300 -0.057 0.000 1.154 16 P CA 2.069 65.135 63.100 -0.057 0.000 0.826 16 P CB 0.612 32.281 31.700 -0.051 0.000 0.795 17 K N -0.711 119.660 120.400 -0.049 0.000 2.057 17 K HA -0.144 4.148 4.320 -0.047 0.000 0.206 17 K C 2.204 178.774 176.600 -0.049 0.000 1.050 17 K CA 2.876 59.136 56.287 -0.046 0.000 0.935 17 K CB -1.179 31.297 32.500 -0.040 0.000 0.715 17 K HN 0.320 8.544 8.250 -0.045 0.000 0.439 18 L N -1.660 119.533 121.223 -0.051 0.000 2.056 18 L HA -0.263 4.048 4.340 -0.048 0.000 0.207 18 L C 2.238 179.075 176.870 -0.055 0.000 1.078 18 L CA 2.595 57.404 54.840 -0.052 0.000 0.749 18 L CB -0.452 41.572 42.059 -0.058 0.000 0.901 18 L HN -0.303 7.896 8.230 -0.051 0.000 0.433 19 I N -0.807 119.726 120.570 -0.061 0.000 2.264 19 I HA -0.577 3.552 4.170 -0.069 0.000 0.248 19 I C 2.131 178.203 176.117 -0.074 0.000 1.111 19 I CA 4.377 65.633 61.300 -0.072 0.000 1.382 19 I CB -0.355 37.593 38.000 -0.086 0.000 1.060 19 I HN 0.378 8.430 8.210 -0.061 0.121 0.418 20 T N 1.866 116.379 114.554 -0.068 0.000 2.788 20 T HA -0.310 3.995 4.350 -0.075 0.000 0.268 20 T C 2.131 176.800 174.700 -0.051 0.000 1.044 20 T CA 5.039 67.100 62.100 -0.065 0.000 1.139 20 T CB -0.462 68.370 68.868 -0.061 0.000 0.867 20 T HN -0.053 7.952 8.240 -0.065 0.197 0.454 21 R N 1.587 122.060 120.500 -0.045 0.000 2.066 21 R HA -0.234 4.087 4.340 -0.033 0.000 0.232 21 R C 2.384 178.665 176.300 -0.031 0.000 1.131 21 R CA 3.356 59.434 56.100 -0.036 0.000 0.955 21 R CB -0.348 29.931 30.300 -0.035 0.000 0.851 21 R HN -0.558 7.587 8.270 -0.048 0.096 0.432 22 L N -0.808 120.394 121.223 -0.035 0.000 2.046 22 L HA -0.230 4.099 4.340 -0.018 0.000 0.208 22 L C 1.746 178.602 176.870 -0.023 0.000 1.077 22 L CA 2.836 57.660 54.840 -0.027 0.000 0.747 22 L CB 0.098 42.139 42.059 -0.031 0.000 0.896 22 L HN 0.291 8.496 8.230 -0.042 0.000 0.432 23 A N -1.631 121.164 122.820 -0.042 0.000 1.933 23 A HA -0.424 3.874 4.320 -0.037 0.000 0.218 23 A C 1.675 179.247 177.584 -0.019 0.000 1.175 23 A CA 3.225 55.236 52.037 -0.044 0.000 0.628 23 A CB -1.006 17.946 19.000 -0.080 0.000 0.814 23 A HN 0.546 8.544 8.150 -0.054 0.119 0.444 24 D N -1.898 118.488 120.400 -0.023 0.000 2.117 24 D HA -0.329 4.302 4.640 -0.015 0.000 0.197 24 D C 2.174 178.473 176.300 -0.002 0.000 0.987 24 D CA 3.695 57.686 54.000 -0.015 0.000 0.829 24 D CB -0.046 40.742 40.800 -0.020 0.000 0.961 24 D HN -0.136 8.114 8.370 -0.031 0.102 0.460 25 T N 3.100 117.653 114.554 -0.002 0.000 2.759 25 T HA -0.336 4.016 4.350 0.003 0.000 0.269 25 T C 2.012 176.723 174.700 0.019 0.000 1.042 25 T CA 4.760 66.863 62.100 0.006 0.000 1.140 25 T CB 0.008 68.878 68.868 0.003 0.000 0.864 25 T HN -0.485 7.665 8.240 -0.008 0.085 0.455 26 V N 2.077 122.010 119.914 0.032 0.000 2.343 26 V HA -0.508 3.649 4.120 0.062 0.000 0.247 26 V C 1.683 177.809 176.094 0.053 0.000 1.051 26 V CA 4.440 66.778 62.300 0.063 0.000 1.036 26 V CB -0.199 31.691 31.823 0.111 0.000 0.654 26 V HN -0.331 7.765 8.190 0.024 0.108 0.451 27 R N -1.146 119.378 120.500 0.039 0.000 2.066 27 R HA -0.353 4.012 4.340 0.041 0.000 0.232 27 R C 2.485 178.795 176.300 0.017 0.000 1.131 27 R CA 3.578 59.695 56.100 0.030 0.000 0.955 27 R CB 0.012 30.323 30.300 0.017 0.000 0.851 27 R HN -0.598 7.599 8.270 0.030 0.091 0.432 28 T N -2.454 112.107 114.554 0.012 0.000 2.867 28 T HA -0.200 4.153 4.350 0.005 0.000 0.268 28 T C 1.760 176.465 174.700 0.008 0.000 1.057 28 T CA 2.794 64.898 62.100 0.007 0.000 1.136 28 T CB -0.029 68.841 68.868 0.003 0.000 0.874 28 T HN 0.111 8.358 8.240 0.010 0.000 0.466 29 K N -0.093 120.315 120.400 0.012 0.000 2.418 29 K HA 0.020 4.344 4.320 0.007 0.000 0.195 29 K C 0.357 176.962 176.600 0.009 0.000 1.035 29 K CA -0.444 55.850 56.287 0.011 0.000 1.003 29 K CB 0.615 33.125 32.500 0.016 0.000 0.793 29 K HN 0.214 8.257 8.250 0.017 0.217 0.494 30 G N -1.252 107.555 108.800 0.012 0.000 3.172 30 G HA2 -0.238 3.794 3.960 0.007 0.000 0.686 30 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.686 30 G C 0.798 175.697 174.900 -0.001 0.000 1.009 30 G CA -0.571 44.531 45.100 0.004 0.000 0.787 30 G HN -0.434 7.615 8.290 0.017 0.251 0.559 31 L N 3.062 124.281 121.223 -0.006 0.000 2.141 31 L HA -0.194 4.132 4.340 -0.023 0.000 0.209 31 L C 0.787 177.587 176.870 -0.116 0.000 1.094 31 L CA 2.393 57.203 54.840 -0.051 0.000 0.763 31 L CB 0.182 42.222 42.059 -0.032 0.000 0.908 31 L HN 0.510 8.742 8.230 0.003 0.000 0.437 32 R N -4.218 116.238 120.500 -0.074 0.000 2.317 32 R HA 0.010 4.286 4.340 -0.107 0.000 0.208 32 R C -0.708 175.562 176.300 -0.050 0.000 0.914 32 R CA -0.152 55.903 56.100 -0.073 0.000 1.060 32 R CB 0.025 30.294 30.300 -0.052 0.000 1.015 32 R HN 0.076 8.308 8.270 -0.046 0.010 0.498 33 S N 0.535 116.213 115.700 -0.037 0.000 2.654 33 S HA 0.334 4.791 4.470 -0.022 0.000 0.283 33 S C -2.096 172.493 174.600 -0.019 0.000 1.180 33 S CA -2.507 55.680 58.200 -0.022 0.000 1.021 33 S CB 0.910 64.104 63.200 -0.010 0.000 1.018 33 S HN -0.592 7.475 8.310 -0.036 0.222 0.532 34 P HA 0.080 4.497 4.420 -0.006 0.000 0.273 34 P C -1.832 175.472 177.300 0.006 0.000 1.428 34 P CA 0.343 63.441 63.100 -0.004 0.000 0.995 34 P CB -0.750 30.948 31.700 -0.002 0.000 1.286 35 I N 1.466 122.044 120.570 0.013 0.000 4.907 35 I HA -0.151 4.033 4.170 0.025 0.000 0.342 35 I C 0.692 176.834 176.117 0.042 0.000 0.627 35 I CA 0.961 62.275 61.300 0.024 0.000 1.565 35 I CB 0.396 38.407 38.000 0.018 0.000 3.239 35 I HN -0.184 8.032 8.210 0.011 0.000 1.004 36 T N 4.179 118.759 114.554 0.044 0.000 2.708 36 T HA -0.298 4.117 4.350 0.110 0.000 0.266 36 T C 1.487 176.270 174.700 0.139 0.000 1.037 36 T CA 5.614 67.772 62.100 0.095 0.000 1.146 36 T CB 0.042 68.948 68.868 0.063 0.000 0.865 36 T HN -0.539 7.714 8.240 0.021 0.000 0.435 37 M N 0.673 120.325 119.600 0.087 0.000 2.108 37 M HA -0.496 4.096 4.480 0.188 0.000 0.261 37 M C 1.262 177.623 176.300 0.102 0.000 1.066 37 M CA 3.555 58.921 55.300 0.111 0.000 1.107 37 M CB -0.843 31.790 32.600 0.055 0.000 1.356 37 M HN 0.372 8.683 8.290 0.035 0.000 0.406 38 A N -2.728 120.134 122.820 0.069 0.000 1.898 38 A HA -0.293 4.062 4.320 0.059 0.000 0.216 38 A C 2.004 179.624 177.584 0.060 0.000 1.181 38 A CA 2.999 55.071 52.037 0.058 0.000 0.620 38 A CB -0.942 18.082 19.000 0.041 0.000 0.819 38 A HN 0.018 8.201 8.150 0.056 0.000 0.442 39 E N -0.689 119.549 120.200 0.064 0.000 2.051 39 E HA -0.341 4.032 4.350 0.039 0.000 0.192 39 E C 2.462 179.096 176.600 0.055 0.000 0.991 39 E CA 3.164 59.596 56.400 0.053 0.000 0.799 39 E CB 0.153 29.884 29.700 0.053 0.000 0.748 39 E HN -0.050 8.160 8.360 0.069 0.192 0.449 40 V N -0.177 119.792 119.914 0.092 0.000 2.343 40 V HA -0.491 3.636 4.120 0.012 0.000 0.247 40 V C 1.909 178.041 176.094 0.064 0.000 1.051 40 V CA 5.090 67.433 62.300 0.072 0.000 1.036 40 V CB -0.075 31.843 31.823 0.159 0.000 0.654 40 V HN 0.596 8.749 8.190 0.134 0.117 0.451 41 E N -1.327 118.924 120.200 0.086 0.000 2.268 41 E HA -0.413 3.985 4.350 0.080 0.000 0.195 41 E C 1.955 178.593 176.600 0.064 0.000 0.995 41 E CA 2.505 58.952 56.400 0.077 0.000 0.836 41 E CB -0.018 29.730 29.700 0.079 0.000 0.763 41 E HN 0.207 8.443 8.360 0.099 0.183 0.491 42 A N -0.676 122.176 122.820 0.055 0.000 1.858 42 A HA -0.207 4.146 4.320 0.056 0.000 0.216 42 A C 2.315 179.928 177.584 0.050 0.000 1.190 42 A CA 2.896 54.962 52.037 0.049 0.000 0.617 42 A CB -0.810 18.210 19.000 0.035 0.000 0.827 42 A HN -0.084 7.858 8.150 0.054 0.240 0.443 43 L N -5.571 115.671 121.223 0.031 0.000 2.109 43 L HA -0.183 4.174 4.340 0.027 0.000 0.207 43 L C 2.162 179.059 176.870 0.044 0.000 1.086 43 L CA 2.971 57.825 54.840 0.023 0.000 0.760 43 L CB -0.279 41.773 42.059 -0.011 0.000 0.910 43 L HN -0.740 7.504 8.230 0.022 0.000 0.437 44 M N -2.893 116.732 119.600 0.042 0.000 2.557 44 M HA -0.187 4.322 4.480 0.048 0.000 0.259 44 M C 0.863 177.207 176.300 0.074 0.000 1.086 44 M CA 2.079 57.412 55.300 0.054 0.000 1.096 44 M CB -0.326 32.307 32.600 0.054 0.000 1.424 44 M HN 0.117 8.264 8.290 0.036 0.164 0.488 45 S N -1.449 114.300 115.700 0.082 0.000 2.421 45 S HA -0.234 4.289 4.470 0.076 -0.007 0.239 45 S C 0.053 174.707 174.600 0.090 0.000 1.054 45 S CA 2.325 60.579 58.200 0.089 0.000 1.035 45 S CB 0.197 63.463 63.200 0.110 0.000 0.840 45 S HN -0.329 7.778 8.310 0.076 0.249 0.475 46 S N 0.435 116.200 115.700 0.109 0.000 2.718 46 S HA 0.448 4.955 4.470 0.061 0.000 0.300 46 S C -2.715 171.933 174.600 0.080 0.000 1.117 46 S CA -2.606 55.650 58.200 0.094 0.000 1.002 46 S CB 0.941 64.232 63.200 0.151 0.000 1.092 46 S HN -0.769 7.589 8.310 0.120 0.023 0.542 47 P HA 0.045 4.509 4.420 0.074 0.000 0.277 47 P C -1.220 176.125 177.300 0.074 0.000 1.240 47 P CA -0.426 62.714 63.100 0.067 0.000 0.798 47 P CB 0.603 32.334 31.700 0.052 0.000 0.979 48 L N -3.108 118.164 121.223 0.081 0.000 2.568 48 L HA 0.461 4.846 4.340 0.075 0.000 0.257 48 L C -1.414 175.516 176.870 0.100 0.000 1.024 48 L CA -2.307 52.581 54.840 0.080 0.000 0.854 48 L CB 1.548 43.644 42.059 0.063 0.000 1.460 48 L HN -0.381 7.903 8.230 0.090 0.000 0.409 49 L N -2.974 118.310 121.223 0.102 0.000 2.476 49 L HA 0.182 4.600 4.340 0.129 0.000 0.264 49 L C 0.064 177.047 176.870 0.189 0.000 1.224 49 L CA -0.935 53.986 54.840 0.134 0.000 0.821 49 L CB -1.025 41.109 42.059 0.125 0.000 1.101 49 L HN 0.397 8.679 8.230 0.088 0.000 0.488 50 P HA -0.058 4.653 4.420 0.484 0.000 0.220 50 P C 1.242 178.812 177.300 0.449 0.000 1.152 50 P CA 2.332 65.711 63.100 0.465 0.000 0.812 50 P CB 0.116 32.127 31.700 0.519 0.000 0.792 51 H N -1.464 117.729 119.070 0.206 0.000 2.357 51 H HA -0.207 4.468 4.556 0.198 0.000 0.301 51 H C 2.177 177.532 175.328 0.046 0.000 1.082 51 H CA 3.384 59.517 56.048 0.142 0.000 1.342 51 H CB -0.594 29.233 29.762 0.108 0.000 1.389 51 H HN 0.143 8.647 8.280 0.374 0.000 0.511 52 D N -1.249 119.220 120.400 0.114 0.000 2.178 52 D HA -0.215 4.546 4.640 -0.023 -0.134 0.201 52 D C 2.446 178.680 176.300 -0.110 0.000 0.980 52 D CA 3.318 57.317 54.000 -0.003 0.000 0.842 52 D CB -0.541 40.273 40.800 0.022 0.000 0.948 52 D HN 0.431 8.904 8.370 0.172 0.000 0.472 53 V N -0.664 119.180 119.914 -0.117 0.000 2.343 53 V HA -0.399 3.554 4.120 -0.279 0.000 0.247 53 V C 2.026 177.755 176.094 -0.609 0.000 1.051 53 V CA 4.149 66.260 62.300 -0.315 0.000 1.036 53 V CB -0.788 30.885 31.823 -0.251 0.000 0.654 53 V HN -0.576 7.495 8.190 0.001 0.119 0.451 54 T N -1.339 112.915 114.554 -0.499 0.000 2.737 54 T HA -0.412 3.387 4.350 -0.919 0.000 0.265 54 T C 1.636 176.189 174.700 -0.245 0.000 1.038 54 T CA 4.617 66.421 62.100 -0.492 0.000 1.144 54 T CB -0.297 68.449 68.868 -0.204 0.000 0.866 54 T HN -0.453 7.534 8.240 -0.279 0.086 0.434 55 N N 3.766 122.343 118.700 -0.206 0.000 2.120 55 N HA -0.303 4.358 4.740 -0.131 0.000 0.188 55 N C 2.077 177.465 175.510 -0.204 0.000 1.024 55 N CA 3.198 56.149 53.050 -0.165 0.000 0.852 55 N CB 0.112 38.517 38.487 -0.138 0.000 1.003 55 N HN -0.151 8.105 8.380 -0.206 0.000 0.424 56 L N 0.941 122.015 121.223 -0.248 0.000 2.005 56 L HA -0.259 3.958 4.340 -0.206 0.000 0.207 56 L C 1.685 178.333 176.870 -0.369 0.000 1.072 56 L CA 2.952 57.632 54.840 -0.267 0.000 0.744 56 L CB -0.108 41.806 42.059 -0.243 0.000 0.895 56 L HN 0.409 8.362 8.230 -0.251 0.127 0.433 57 M N -2.134 117.127 119.600 -0.564 0.000 2.108 57 M HA -0.438 3.562 4.480 -0.800 0.000 0.261 57 M C 2.324 178.382 176.300 -0.404 0.000 1.066 57 M CA 2.943 57.785 55.300 -0.763 0.000 1.107 57 M CB -1.240 30.456 32.600 -1.506 0.000 1.356 57 M HN 0.518 8.298 8.290 -0.640 0.126 0.406 58 R N -0.633 119.756 120.500 -0.186 0.000 2.105 58 R HA -0.272 3.996 4.340 -0.319 -0.118 0.239 58 R C 2.241 178.372 176.300 -0.281 0.000 1.135 58 R CA 3.537 59.468 56.100 -0.282 0.000 0.967 58 R CB -0.288 29.744 30.300 -0.446 0.000 0.861 58 R HN 0.382 8.436 8.270 -0.162 0.119 0.442 59 V N -2.202 117.570 119.914 -0.237 0.000 2.548 59 V HA -0.343 3.673 4.120 -0.173 0.000 0.249 59 V C 1.102 177.098 176.094 -0.163 0.000 1.055 59 V CA 3.058 65.246 62.300 -0.185 0.000 1.065 59 V CB 0.021 31.747 31.823 -0.161 0.000 0.681 59 V HN -0.561 7.362 8.190 -0.245 0.121 0.462 60 I N -4.327 116.116 120.570 -0.211 0.000 2.333 60 I HA -0.292 3.813 4.170 -0.108 0.000 0.246 60 I C 0.241 176.306 176.117 -0.087 0.000 1.106 60 I CA 2.372 63.568 61.300 -0.174 0.000 1.411 60 I CB 0.941 38.744 38.000 -0.329 0.000 1.082 60 I HN -0.760 7.168 8.210 -0.283 0.112 0.420 61 L N -5.533 115.620 121.223 -0.118 0.000 2.365 61 L HA 0.460 4.828 4.340 0.046 0.000 0.273 61 L C -0.608 176.233 176.870 -0.049 0.000 1.000 61 L CA -1.771 53.071 54.840 0.004 0.000 0.819 61 L CB 1.669 43.800 42.059 0.120 0.000 1.284 61 L HN 0.154 8.123 8.230 -0.209 0.136 0.418 62 G N 0.136 108.917 108.800 -0.031 0.000 2.527 62 G HA2 -0.004 3.860 3.960 -0.159 0.000 0.279 62 G HA3 -0.004 3.923 3.960 -0.054 0.000 0.279 62 G C -0.661 174.171 174.900 -0.113 0.000 1.374 62 G CA -0.898 44.146 45.100 -0.094 0.000 1.053 62 G HN 0.274 8.570 8.290 0.010 0.000 0.539 63 P HA -0.067 4.249 4.420 -0.172 0.000 0.222 63 P C 0.475 177.838 177.300 0.104 0.000 1.153 63 P CA 1.649 64.703 63.100 -0.077 0.000 0.798 63 P CB 0.267 31.912 31.700 -0.092 0.000 0.796 64 A N -1.026 121.839 122.820 0.074 0.000 1.841 64 A HA -0.001 4.376 4.320 0.095 0.000 0.214 64 A C -0.453 177.218 177.584 0.145 0.000 1.195 64 A CA 3.511 55.605 52.037 0.095 0.000 0.611 64 A CB -2.502 16.535 19.000 0.061 0.000 0.835 64 A HN 0.260 8.409 8.150 0.032 0.020 0.443 65 P HA 0.069 4.599 4.420 0.184 0.000 0.242 65 P C 0.022 177.500 177.300 0.298 0.000 1.197 65 P CA 1.234 64.454 63.100 0.201 0.000 0.765 65 P CB -0.310 31.500 31.700 0.183 0.000 0.936 66 Y N 0.949 121.309 120.300 0.101 0.000 2.153 66 Y HA -0.368 4.236 4.550 0.091 0.000 0.289 66 Y C 1.638 177.666 175.900 0.214 0.000 1.127 66 Y CA 2.892 61.060 58.100 0.114 0.000 1.131 66 Y CB -0.122 38.366 38.460 0.046 0.000 0.995 66 Y HN -0.247 8.091 8.280 0.332 0.141 0.505 67 A N -1.214 121.759 122.820 0.255 0.000 2.019 67 A HA -0.303 4.094 4.320 0.129 0.000 0.219 67 A C 2.071 179.749 177.584 0.157 0.000 1.164 67 A CA 3.069 55.205 52.037 0.165 0.000 0.644 67 A CB -1.250 17.836 19.000 0.143 0.000 0.805 67 A HN -0.289 8.033 8.150 0.287 0.000 0.449 68 L N -2.249 119.087 121.223 0.189 0.000 2.027 68 L HA -0.207 4.204 4.340 0.119 0.000 0.206 68 L C 1.459 178.453 176.870 0.207 0.000 1.074 68 L CA 3.836 58.778 54.840 0.171 0.000 0.745 68 L CB -0.494 41.667 42.059 0.170 0.000 0.898 68 L HN -0.466 7.780 8.230 0.212 0.111 0.433 69 W N -0.187 121.161 121.300 0.080 0.000 2.409 69 W HA -0.294 4.442 4.660 0.127 0.000 0.299 69 W C 1.744 178.302 176.519 0.065 0.000 1.203 69 W CA 3.230 60.620 57.345 0.075 0.000 1.298 69 W CB 0.206 29.689 29.460 0.039 0.000 1.127 69 W HN -0.455 7.912 8.180 0.430 0.072 0.528 70 M N -0.846 118.985 119.600 0.385 0.000 2.080 70 M HA -0.583 4.163 4.480 0.443 0.000 0.260 70 M C 1.667 178.019 176.300 0.087 0.000 1.068 70 M CA 4.558 60.026 55.300 0.281 0.000 1.109 70 M CB -0.357 32.347 32.600 0.172 0.000 1.342 70 M HN 0.768 9.153 8.290 0.368 0.126 0.405 71 D N -0.707 119.728 120.400 0.059 0.000 2.097 71 D HA -0.294 4.350 4.640 0.007 0.000 0.195 71 D C 1.949 178.223 176.300 -0.042 0.000 0.989 71 D CA 3.571 57.578 54.000 0.011 0.000 0.827 71 D CB 0.116 40.933 40.800 0.028 0.000 0.966 71 D HN 0.230 8.530 8.370 0.096 0.127 0.456 72 A N -0.441 122.341 122.820 -0.063 0.000 1.930 72 A HA -0.263 4.013 4.320 -0.072 0.000 0.217 72 A C 1.660 179.140 177.584 -0.173 0.000 1.175 72 A CA 2.906 54.878 52.037 -0.108 0.000 0.627 72 A CB -0.604 18.337 19.000 -0.097 0.000 0.815 72 A HN -0.224 7.907 8.150 -0.031 0.000 0.443 73 W N 0.874 121.817 121.300 -0.595 0.000 2.338 73 W HA -0.241 3.955 4.660 -0.772 0.000 0.304 73 W C 2.127 178.427 176.519 -0.365 0.000 1.212 73 W CA 1.623 58.527 57.345 -0.735 0.000 1.264 73 W CB -0.616 28.105 29.460 -1.232 0.000 1.142 73 W HN 0.911 8.686 8.180 -0.310 0.219 0.512 74 G N -2.490 106.177 108.800 -0.221 0.000 2.418 74 G HA2 -0.419 3.309 3.960 -0.387 0.000 0.217 74 G HA3 -0.419 3.430 3.960 -0.185 0.000 0.217 74 G C 1.268 176.052 174.900 -0.193 0.000 1.158 74 G CA 2.146 47.092 45.100 -0.257 0.000 0.771 74 G HN -0.145 7.981 8.290 -0.129 0.087 0.545 75 V N 3.090 122.923 119.914 -0.135 0.000 2.307 75 V HA -0.583 3.480 4.120 -0.095 0.000 0.245 75 V C 2.157 178.191 176.094 -0.099 0.000 1.045 75 V CA 4.219 66.459 62.300 -0.100 0.000 1.024 75 V CB -0.018 31.763 31.823 -0.070 0.000 0.651 75 V HN -0.630 7.391 8.190 -0.120 0.096 0.449 76 Q N -1.355 118.387 119.800 -0.096 0.000 2.061 76 Q HA -0.353 3.961 4.340 -0.044 0.000 0.204 76 Q C 2.791 178.738 176.000 -0.087 0.000 0.984 76 Q CA 2.461 58.228 55.803 -0.061 0.000 0.846 76 Q CB -0.572 28.157 28.738 -0.016 0.000 0.902 76 Q HN 0.450 8.543 8.270 -0.106 0.114 0.421 77 L N -0.814 120.307 121.223 -0.170 0.000 2.017 77 L HA -0.442 3.804 4.340 -0.157 0.000 0.208 77 L C 2.279 179.040 176.870 -0.181 0.000 1.073 77 L CA 3.066 57.773 54.840 -0.222 0.000 0.745 77 L CB -0.273 41.526 42.059 -0.433 0.000 0.894 77 L HN 0.606 8.582 8.230 -0.228 0.116 0.432 78 Q N -2.122 117.577 119.800 -0.168 0.000 2.135 78 Q HA -0.381 3.874 4.340 -0.142 0.000 0.204 78 Q C 2.662 178.593 176.000 -0.114 0.000 0.981 78 Q CA 3.304 59.027 55.803 -0.134 0.000 0.856 78 Q CB -0.256 28.414 28.738 -0.114 0.000 0.902 78 Q HN 0.136 8.120 8.270 -0.179 0.179 0.425 79 T N 1.802 116.297 114.554 -0.098 0.000 2.720 79 T HA -0.323 3.988 4.350 -0.065 0.000 0.268 79 T C 1.762 176.395 174.700 -0.112 0.000 1.037 79 T CA 5.163 67.217 62.100 -0.076 0.000 1.144 79 T CB -0.174 68.667 68.868 -0.046 0.000 0.864 79 T HN 0.098 8.174 8.240 -0.096 0.106 0.444 80 V N 1.608 121.429 119.914 -0.154 0.000 2.427 80 V HA -0.329 3.572 4.120 -0.365 0.000 0.248 80 V C 1.920 177.791 176.094 -0.373 0.000 1.051 80 V CA 4.254 66.370 62.300 -0.307 0.000 1.048 80 V CB -0.525 31.160 31.823 -0.230 0.000 0.666 80 V HN -0.638 7.378 8.190 -0.129 0.097 0.456 81 I N -0.147 120.289 120.570 -0.223 0.000 2.315 81 I HA -0.375 3.682 4.170 -0.189 0.000 0.248 81 I C 1.931 177.967 176.117 -0.136 0.000 1.117 81 I CA 1.102 62.297 61.300 -0.173 0.000 1.404 81 I CB -2.331 35.590 38.000 -0.133 0.000 1.071 81 I HN -0.377 7.622 8.210 -0.182 0.101 0.419 82 A N -0.048 122.703 122.820 -0.115 0.000 1.929 82 A HA -0.258 4.026 4.320 -0.060 0.000 0.216 82 A C 1.995 179.546 177.584 -0.055 0.000 1.176 82 A CA 3.213 55.208 52.037 -0.071 0.000 0.628 82 A CB -0.981 17.986 19.000 -0.056 0.000 0.816 82 A HN 0.636 8.523 8.150 -0.119 0.192 0.444 83 A N -1.287 121.485 122.820 -0.080 0.000 1.877 83 A HA -0.301 4.045 4.320 0.043 0.000 0.216 83 A C 1.858 179.476 177.584 0.058 0.000 1.186 83 A CA 2.998 55.040 52.037 0.008 0.000 0.620 83 A CB -0.685 18.349 19.000 0.057 0.000 0.822 83 A HN 0.408 8.283 8.150 -0.134 0.194 0.443 84 A N -1.043 121.725 122.820 -0.086 0.000 1.873 84 A HA -0.124 4.490 4.320 0.180 -0.186 0.215 84 A C 2.163 179.753 177.584 0.011 0.000 1.186 84 A CA 2.850 54.895 52.037 0.014 0.000 0.616 84 A CB -0.526 18.427 19.000 -0.079 0.000 0.823 84 A HN 0.171 8.141 8.150 -0.300 0.000 0.442 85 T N -1.156 113.381 114.554 -0.029 0.000 2.759 85 T HA -0.388 3.953 4.350 -0.014 0.000 0.269 85 T C 1.739 176.437 174.700 -0.003 0.000 1.042 85 T CA 3.354 65.443 62.100 -0.019 0.000 1.140 85 T CB 0.108 68.955 68.868 -0.035 0.000 0.864 85 T HN -0.080 8.000 8.240 -0.064 0.121 0.455 86 R N 0.036 120.537 120.500 0.003 0.000 2.075 86 R HA -0.049 4.293 4.340 0.003 0.000 0.226 86 R C -0.211 176.102 176.300 0.023 0.000 1.114 86 R CA 1.875 57.981 56.100 0.011 0.000 0.972 86 R CB 1.107 31.415 30.300 0.012 0.000 0.869 86 R HN -0.220 7.847 8.270 -0.002 0.202 0.437 87 D N -1.540 118.886 120.400 0.044 0.000 2.505 87 D HA 0.394 5.052 4.640 0.030 0.000 0.250 87 D C -1.832 174.506 176.300 0.062 0.000 1.164 87 D CA -2.316 51.713 54.000 0.048 0.000 0.870 87 D CB 2.248 43.081 40.800 0.055 0.000 1.160 87 D HN 0.239 8.452 8.370 0.059 0.192 0.549 88 P HA 0.187 4.637 4.420 0.050 0.000 0.238 88 P C -1.515 175.807 177.300 0.036 0.000 1.714 88 P CA -0.105 63.018 63.100 0.038 0.000 0.908 88 P CB -1.225 30.488 31.700 0.021 0.000 1.893 89 R N -3.487 117.041 120.500 0.048 0.000 2.531 89 R HA 0.189 4.533 4.340 0.007 0.000 0.316 89 R C -0.300 175.993 176.300 -0.011 0.000 0.955 89 R CA -1.000 55.104 56.100 0.008 0.000 1.120 89 R CB 1.134 31.422 30.300 -0.020 0.000 1.361 89 R HN 0.048 8.281 8.270 0.081 0.086 0.534 90 H N 2.424 121.493 119.070 -0.002 0.000 2.646 90 H HA 0.248 4.805 4.556 0.001 0.000 0.325 90 H C -0.533 174.795 175.328 -0.000 0.000 1.075 90 H CA -0.748 55.300 56.048 -0.001 0.000 1.421 90 H CB 1.301 31.061 29.762 -0.003 0.000 1.461 90 H HN -0.520 7.871 8.280 0.185 0.000 0.525 91 P HA 0.014 4.463 4.420 0.048 0.000 0.225 91 P C -0.599 176.756 177.300 0.092 0.000 1.156 91 P CA 0.817 63.959 63.100 0.069 0.000 0.787 91 P CB 0.613 32.333 31.700 0.034 0.000 0.802 92 A N -2.938 119.974 122.820 0.153 0.000 2.131 92 A HA -0.228 4.136 4.320 0.072 0.000 0.220 92 A C -0.994 176.616 177.584 0.043 0.000 1.158 92 A CA 1.143 53.233 52.037 0.087 0.000 0.665 92 A CB 0.200 19.238 19.000 0.063 0.000 0.795 92 A HN 0.005 8.295 8.150 0.284 0.030 0.460 93 N N -2.999 115.734 118.700 0.055 0.000 2.495 93 N HA -0.043 4.762 4.740 0.011 -0.058 0.280 93 N C 0.795 176.319 175.510 0.024 0.000 1.168 93 N CA -1.185 51.882 53.050 0.029 0.000 0.978 93 N CB 0.737 39.245 38.487 0.035 0.000 1.191 93 N HN -0.854 7.416 8.380 0.091 0.165 0.497 94 G N -1.277 107.531 108.800 0.012 0.000 2.639 94 G HA2 -0.301 3.664 3.960 0.010 0.000 0.216 94 G HA3 -0.301 3.923 3.960 0.005 -0.262 0.216 94 G C -0.042 174.865 174.900 0.011 0.000 1.267 94 G CA 2.299 47.405 45.100 0.009 0.000 0.801 94 G HN 0.359 8.653 8.290 0.006 0.000 0.592 95 Q N -2.567 117.239 119.800 0.009 0.000 2.577 95 Q HA 0.082 4.428 4.340 0.009 0.000 0.242 95 Q C -0.211 175.796 176.000 0.011 0.000 0.818 95 Q CA 0.331 56.139 55.803 0.009 0.000 0.962 95 Q CB 2.013 30.754 28.738 0.005 0.000 1.272 95 Q HN -0.110 8.165 8.270 0.008 0.000 0.593 96 G N -1.431 107.376 108.800 0.010 0.000 2.637 96 G HA2 0.101 4.072 3.960 0.018 0.000 0.112 96 G HA3 0.101 4.066 3.960 0.010 0.000 0.112 96 G C -1.195 173.710 174.900 0.008 0.000 1.181 96 G CA -0.001 45.106 45.100 0.012 0.000 1.150 96 G HN -0.431 7.864 8.290 0.008 0.000 0.561 97 R N 1.882 122.386 120.500 0.006 0.000 2.323 97 R HA 0.008 4.349 4.340 0.002 0.000 0.198 97 R C 0.449 176.748 176.300 -0.001 0.000 0.988 97 R CA 1.337 57.438 56.100 0.002 0.000 1.041 97 R CB -0.576 29.725 30.300 0.002 0.000 0.926 97 R HN 0.249 8.523 8.270 0.006 0.000 0.476 98 G N -1.188 107.612 108.800 0.000 0.000 2.411 98 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.213 98 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.213 98 G C -0.078 174.821 174.900 -0.003 0.000 1.166 98 G CA 0.228 45.328 45.100 -0.001 0.000 0.802 98 G HN -0.270 7.941 8.290 0.002 0.080 0.533 99 E N -1.452 118.747 120.200 -0.002 0.000 2.152 99 E HA 0.006 4.353 4.350 -0.005 0.000 0.195 99 E C 0.112 176.708 176.600 -0.007 0.000 0.934 99 E CA -0.658 55.740 56.400 -0.004 0.000 0.869 99 E CB 1.735 31.434 29.700 -0.002 0.000 0.842 99 E HN -0.586 7.774 8.360 0.001 0.000 0.472 100 R N -2.575 117.923 120.500 -0.004 0.000 1.070 100 R HA -0.327 4.070 4.340 -0.001 -0.058 0.423 100 R C -1.690 174.601 176.300 -0.015 0.000 1.363 100 R CA 0.483 56.578 56.100 -0.008 0.000 1.323 100 R CB -0.286 30.006 30.300 -0.013 0.000 3.683 100 R HN -0.224 8.047 8.270 0.001 0.000 0.499 101 T N 1.203 115.744 114.554 -0.022 0.000 2.766 101 T HA -0.113 4.223 4.350 -0.024 0.000 0.295 101 T C -0.701 173.970 174.700 -0.048 0.000 1.024 101 T CA 0.178 62.258 62.100 -0.034 0.000 1.018 101 T CB 1.116 69.956 68.868 -0.047 0.000 1.002 101 T HN 0.002 8.230 8.240 -0.020 0.000 0.532 102 N N 3.277 121.944 118.700 -0.054 0.000 2.336 102 N HA 0.145 4.846 4.740 -0.065 0.000 0.290 102 N C -0.466 174.994 175.510 -0.083 0.000 1.058 102 N CA -0.471 52.541 53.050 -0.063 0.000 0.865 102 N CB 2.637 41.094 38.487 -0.050 0.000 1.581 102 N HN 0.073 8.422 8.380 -0.051 0.000 0.480 103 L N 3.090 124.252 121.223 -0.101 0.000 2.079 103 L HA -0.271 3.976 4.340 -0.155 0.000 0.210 103 L C 0.852 177.640 176.870 -0.135 0.000 1.081 103 L CA 3.100 57.857 54.840 -0.137 0.000 0.752 103 L CB 0.195 42.165 42.059 -0.148 0.000 0.896 103 L HN 0.530 8.703 8.230 -0.094 0.000 0.433 104 D N -1.402 118.938 120.400 -0.101 0.000 2.097 104 D HA -0.263 4.318 4.640 -0.100 0.000 0.195 104 D C 2.118 178.373 176.300 -0.074 0.000 0.989 104 D CA 3.751 57.700 54.000 -0.086 0.000 0.827 104 D CB -0.350 40.413 40.800 -0.062 0.000 0.966 104 D HN 0.122 8.438 8.370 -0.087 0.002 0.456 105 R N -2.050 118.413 120.500 -0.062 0.000 2.083 105 R HA -0.280 4.037 4.340 -0.038 0.000 0.237 105 R C 2.330 178.604 176.300 -0.043 0.000 1.137 105 R CA 2.634 58.707 56.100 -0.045 0.000 0.951 105 R CB -0.558 29.721 30.300 -0.035 0.000 0.851 105 R HN -0.128 8.021 8.270 -0.062 0.084 0.434 106 L N -3.617 117.568 121.223 -0.064 0.000 2.275 106 L HA -0.234 4.098 4.340 -0.013 0.000 0.215 106 L C 1.857 178.680 176.870 -0.079 0.000 1.119 106 L CA 1.569 56.374 54.840 -0.059 0.000 0.790 106 L CB -0.027 41.979 42.059 -0.088 0.000 0.919 106 L HN -0.187 7.925 8.230 -0.081 0.069 0.443 107 K N -2.505 117.823 120.400 -0.120 0.000 2.057 107 K HA -0.265 3.909 4.320 -0.243 0.000 0.207 107 K C 0.595 177.183 176.600 -0.021 0.000 1.049 107 K CA 1.861 58.069 56.287 -0.131 0.000 0.931 107 K CB 0.363 32.783 32.500 -0.134 0.000 0.714 107 K HN -0.797 7.201 8.250 -0.116 0.182 0.440 108 G N -4.861 103.922 108.800 -0.028 0.000 2.184 108 G HA2 -0.241 3.708 3.960 -0.019 0.000 0.206 108 G HA3 -0.241 3.706 3.960 -0.022 0.000 0.206 108 G C -0.092 174.767 174.900 -0.068 0.000 0.995 108 G CA 0.105 45.187 45.100 -0.031 0.000 0.651 108 G HN -0.517 7.662 8.290 -0.041 0.086 0.511 109 L N -0.261 120.929 121.223 -0.055 0.000 2.627 109 L HA 0.053 4.354 4.340 -0.065 0.000 0.233 109 L C -0.718 176.128 176.870 -0.040 0.000 1.144 109 L CA -0.193 54.617 54.840 -0.050 0.000 0.892 109 L CB -0.983 41.055 42.059 -0.034 0.000 1.039 109 L HN -0.833 7.320 8.230 -0.049 0.048 0.442 110 A N -1.057 121.740 122.820 -0.038 0.000 2.531 110 A HA -0.193 4.110 4.320 -0.027 0.000 0.236 110 A C -1.253 176.316 177.584 -0.025 0.000 1.062 110 A CA -0.295 51.725 52.037 -0.029 0.000 0.760 110 A CB 0.557 19.543 19.000 -0.024 0.000 0.995 110 A HN -0.326 7.711 8.150 -0.040 0.090 0.501 111 D N 0.457 120.845 120.400 -0.020 0.000 2.450 111 D HA -0.283 4.347 4.640 -0.017 0.000 0.247 111 D C 1.106 177.397 176.300 -0.014 0.000 1.162 111 D CA 1.486 55.477 54.000 -0.016 0.000 0.879 111 D CB -0.666 40.127 40.800 -0.012 0.000 1.163 111 D HN -0.114 8.245 8.370 -0.019 0.000 0.472 112 G N 3.387 112.179 108.800 -0.014 0.000 2.199 112 G HA2 -0.427 3.528 3.960 -0.008 0.000 0.254 112 G HA3 -0.427 3.528 3.960 -0.008 0.000 0.254 112 G C -0.487 174.405 174.900 -0.013 0.000 0.982 112 G CA 0.331 45.425 45.100 -0.010 0.000 0.632 112 G HN 0.568 8.849 8.290 -0.015 0.000 0.529 113 M N -0.961 118.626 119.600 -0.021 0.000 2.461 113 M HA 0.139 4.609 4.480 -0.017 0.000 0.255 113 M C -0.181 176.089 176.300 -0.050 0.000 1.137 113 M CA 1.372 56.656 55.300 -0.027 0.000 1.086 113 M CB 2.418 35.003 32.600 -0.026 0.000 1.356 113 M HN -0.164 7.915 8.290 -0.023 0.197 0.487 114 V N 0.127 120.010 119.914 -0.053 0.000 2.432 114 V HA -0.075 3.967 4.120 -0.131 0.000 0.271 114 V C 0.610 176.675 176.094 -0.048 0.000 1.046 114 V CA 0.545 62.799 62.300 -0.076 0.000 0.945 114 V CB -1.234 30.553 31.823 -0.060 0.000 0.992 114 V HN -0.723 7.444 8.190 -0.039 0.000 0.471 115 G N 6.981 115.749 108.800 -0.054 0.000 2.175 115 G HA2 -0.256 3.708 3.960 0.006 0.000 0.244 115 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.244 115 G C -0.915 173.984 174.900 -0.001 0.000 0.982 115 G CA 0.035 45.128 45.100 -0.011 0.000 0.641 115 G HN 0.521 8.751 8.290 -0.100 0.000 0.527 116 N N 0.455 119.148 118.700 -0.011 0.000 2.577 116 N HA 0.377 5.125 4.740 0.012 0.000 0.275 116 N C -2.302 173.213 175.510 0.007 0.000 1.091 116 N CA -2.558 50.494 53.050 0.003 0.000 0.843 116 N CB 1.501 39.988 38.487 0.001 0.000 1.295 116 N HN -0.672 7.632 8.380 -0.032 0.056 0.530 117 P HA -0.054 4.389 4.420 0.039 0.000 0.211 117 P C 1.181 178.502 177.300 0.036 0.000 1.188 117 P CA 2.082 65.206 63.100 0.040 0.000 0.904 117 P CB 0.769 32.504 31.700 0.059 0.000 0.765 118 Q N -1.327 118.493 119.800 0.035 0.000 2.112 118 Q HA -0.348 4.014 4.340 0.037 0.000 0.206 118 Q C 2.638 178.653 176.000 0.025 0.000 0.987 118 Q CA 4.013 59.835 55.803 0.032 0.000 0.858 118 Q CB -0.721 28.035 28.738 0.030 0.000 0.905 118 Q HN 0.381 8.672 8.270 0.035 0.000 0.420 119 G N -2.661 106.150 108.800 0.019 0.000 2.418 119 G HA2 -0.306 3.662 3.960 0.014 0.000 0.217 119 G HA3 -0.306 3.661 3.960 0.011 0.000 0.217 119 G C 0.844 175.752 174.900 0.012 0.000 1.158 119 G CA 1.148 46.256 45.100 0.014 0.000 0.771 119 G HN 0.267 8.569 8.290 0.019 0.000 0.545 120 Q N 2.999 122.806 119.800 0.012 0.000 2.050 120 Q HA -0.298 4.044 4.340 0.004 0.000 0.202 120 Q C 2.639 178.650 176.000 0.019 0.000 0.980 120 Q CA 2.787 58.596 55.803 0.010 0.000 0.840 120 Q CB -0.546 28.196 28.738 0.006 0.000 0.898 120 Q HN -0.476 7.604 8.270 0.013 0.198 0.424 121 A N -0.273 122.563 122.820 0.027 0.000 1.972 121 A HA -0.227 4.114 4.320 0.036 0.000 0.219 121 A C 1.619 179.217 177.584 0.023 0.000 1.169 121 A CA 2.539 54.595 52.037 0.031 0.000 0.635 121 A CB -0.634 18.389 19.000 0.038 0.000 0.810 121 A HN 0.166 8.333 8.150 0.030 0.000 0.446 122 A N -3.799 119.032 122.820 0.019 0.000 2.119 122 A HA -0.085 4.244 4.320 0.014 0.000 0.216 122 A C 0.597 178.188 177.584 0.011 0.000 1.152 122 A CA 1.431 53.477 52.037 0.014 0.000 0.708 122 A CB -0.270 18.738 19.000 0.013 0.000 0.805 122 A HN -0.533 7.496 8.150 0.019 0.132 0.460 123 L N -3.194 118.036 121.223 0.011 0.000 2.446 123 L HA -0.045 4.298 4.340 0.006 0.000 0.219 123 L C -1.218 175.657 176.870 0.008 0.000 1.116 123 L CA 0.062 54.906 54.840 0.007 0.000 0.844 123 L CB 1.079 43.140 42.059 0.004 0.000 0.970 123 L HN -0.444 7.586 8.230 0.013 0.208 0.457 124 L N -6.317 114.914 121.223 0.013 0.000 2.376 124 L HA 0.302 4.650 4.340 0.012 0.000 0.275 124 L C -0.816 176.065 176.870 0.018 0.000 0.987 124 L CA -1.898 52.952 54.840 0.016 0.000 0.828 124 L CB 1.412 43.483 42.059 0.019 0.000 1.249 124 L HN -1.013 7.063 8.230 0.016 0.164 0.409 125 R N 1.807 122.316 120.500 0.016 0.000 2.829 125 R HA -0.085 4.262 4.340 0.012 0.000 0.267 125 R C -1.616 174.696 176.300 0.020 0.000 0.985 125 R CA -1.441 54.668 56.100 0.015 0.000 1.128 125 R CB -1.317 28.991 30.300 0.013 0.000 1.010 125 R HN 0.334 8.612 8.270 0.014 0.000 0.449 126 P HA -0.020 4.414 4.420 0.023 0.000 0.274 126 P C -1.177 176.135 177.300 0.020 0.000 1.291 126 P CA 0.206 63.316 63.100 0.017 0.000 0.815 126 P CB -0.853 30.850 31.700 0.006 0.000 0.897 127 G N 4.401 113.220 108.800 0.032 0.000 3.859 127 G HA2 -0.157 3.824 3.960 0.035 0.000 0.198 127 G HA3 -0.157 3.824 3.960 0.034 0.000 0.198 127 G C 0.561 175.496 174.900 0.058 0.000 0.972 127 G CA 1.178 46.301 45.100 0.039 0.000 0.882 127 G HN -0.132 8.181 8.290 0.038 0.000 0.364 128 E N 3.144 123.378 120.200 0.057 0.000 2.160 128 E HA -0.356 4.039 4.350 0.075 0.000 0.195 128 E C 2.061 178.711 176.600 0.083 0.000 0.991 128 E CA 2.873 59.313 56.400 0.066 0.000 0.810 128 E CB 0.085 29.815 29.700 0.050 0.000 0.742 128 E HN -0.492 7.896 8.360 0.047 0.000 0.466 129 L N -3.026 118.245 121.223 0.080 0.000 2.046 129 L HA -0.252 4.159 4.340 0.119 0.000 0.208 129 L C 2.274 179.209 176.870 0.108 0.000 1.077 129 L CA 3.329 58.228 54.840 0.098 0.000 0.747 129 L CB -0.546 41.562 42.059 0.082 0.000 0.896 129 L HN -0.029 8.227 8.230 0.066 0.014 0.432 130 V N -0.486 119.481 119.914 0.088 0.000 2.392 130 V HA -0.588 3.585 4.120 0.088 0.000 0.249 130 V C 1.680 177.840 176.094 0.110 0.000 1.059 130 V CA 4.284 66.637 62.300 0.088 0.000 1.051 130 V CB -0.723 31.139 31.823 0.066 0.000 0.658 130 V HN -0.489 7.647 8.190 0.074 0.098 0.455 131 A N 0.121 123.011 122.820 0.116 0.000 1.933 131 A HA -0.308 4.094 4.320 0.137 0.000 0.218 131 A C 2.135 179.812 177.584 0.155 0.000 1.175 131 A CA 3.422 55.538 52.037 0.131 0.000 0.628 131 A CB -0.943 18.128 19.000 0.119 0.000 0.814 131 A HN -0.463 7.655 8.150 0.106 0.095 0.444 132 I N -1.924 118.756 120.570 0.184 0.000 2.315 132 I HA -0.262 4.120 4.170 0.352 0.000 0.248 132 I C 2.576 178.868 176.117 0.292 0.000 1.117 132 I CA 3.515 64.996 61.300 0.301 0.000 1.404 132 I CB -0.176 38.021 38.000 0.329 0.000 1.071 132 I HN -0.287 7.917 8.210 0.158 0.101 0.419 133 T N 2.839 117.509 114.554 0.195 0.000 2.777 133 T HA -0.291 4.149 4.350 0.151 0.000 0.266 133 T C 1.724 176.516 174.700 0.153 0.000 1.040 133 T CA 4.258 66.450 62.100 0.153 0.000 1.141 133 T CB -0.506 68.430 68.868 0.113 0.000 0.868 133 T HN 0.151 8.300 8.240 0.166 0.191 0.444 134 A N 1.006 123.912 122.820 0.144 0.000 1.898 134 A HA -0.166 4.225 4.320 0.118 0.000 0.216 134 A C 2.006 179.675 177.584 0.141 0.000 1.181 134 A CA 3.204 55.318 52.037 0.128 0.000 0.620 134 A CB -0.656 18.411 19.000 0.112 0.000 0.819 134 A HN 0.535 8.582 8.150 0.141 0.188 0.442 135 S N -0.704 115.097 115.700 0.167 0.000 2.402 135 S HA -0.126 4.646 4.470 0.112 -0.234 0.229 135 S C 2.151 176.861 174.600 0.183 0.000 1.021 135 S CA 2.634 60.935 58.200 0.169 0.000 0.974 135 S CB 0.157 63.471 63.200 0.189 0.000 0.800 135 S HN 0.204 8.511 8.310 0.183 0.113 0.484 136 A N 2.731 125.688 122.820 0.227 0.000 1.902 136 A HA -0.273 3.993 4.320 -0.091 0.000 0.217 136 A C 1.871 179.646 177.584 0.318 0.000 1.181 136 A CA 2.855 55.017 52.037 0.209 0.000 0.623 136 A CB -0.461 18.695 19.000 0.260 0.000 0.818 136 A HN 0.337 8.437 8.150 0.260 0.206 0.443 137 L N -2.053 119.318 121.223 0.248 0.000 2.156 137 L HA -0.346 4.225 4.340 0.386 0.000 0.208 137 L C 2.198 179.202 176.870 0.224 0.000 1.095 137 L CA 3.626 58.629 54.840 0.272 0.000 0.770 137 L CB 0.136 42.311 42.059 0.193 0.000 0.914 137 L HN -0.149 8.200 8.230 0.200 0.000 0.439 138 Q N -1.703 118.183 119.800 0.143 0.000 2.230 138 Q HA -0.369 4.021 4.340 0.083 0.000 0.202 138 Q C 2.081 178.110 176.000 0.048 0.000 0.963 138 Q CA 3.132 58.986 55.803 0.084 0.000 0.866 138 Q CB -0.161 28.614 28.738 0.061 0.000 0.931 138 Q HN -0.039 8.205 8.270 0.137 0.108 0.452 139 A N -0.247 122.571 122.820 -0.004 0.000 1.970 139 A HA -0.148 4.104 4.320 -0.114 0.000 0.216 139 A C 1.364 178.966 177.584 0.030 0.000 1.170 139 A CA 2.631 54.566 52.037 -0.170 0.000 0.645 139 A CB -0.552 18.066 19.000 -0.637 0.000 0.816 139 A HN 0.222 8.162 8.150 0.013 0.218 0.447 140 F N 0.383 120.387 119.950 0.090 0.000 2.163 140 F HA -0.253 4.545 4.527 0.453 0.000 0.297 140 F C 1.094 176.978 175.800 0.141 0.000 1.094 140 F CA 1.585 59.768 58.000 0.304 0.000 1.290 140 F CB 0.386 39.600 39.000 0.357 0.000 1.017 140 F HN -0.154 8.301 8.300 0.410 0.091 0.483 141 R N -1.453 119.098 120.500 0.085 0.000 2.189 141 R HA -0.253 3.971 4.340 -0.193 0.000 0.218 141 R C 2.014 178.289 176.300 -0.042 0.000 1.074 141 R CA 2.905 58.973 56.100 -0.054 0.000 0.991 141 R CB -0.660 29.646 30.300 0.009 0.000 0.883 141 R HN 0.247 8.529 8.270 0.196 0.106 0.457 142 E N -0.040 120.163 120.200 0.004 0.000 2.072 142 E HA -0.202 4.141 4.350 -0.011 0.000 0.190 142 E C 2.019 178.617 176.600 -0.003 0.000 0.982 142 E CA 2.610 59.008 56.400 -0.003 0.000 0.803 142 E CB -0.460 29.238 29.700 -0.004 0.000 0.755 142 E HN -0.566 7.689 8.360 0.039 0.129 0.453 143 V N -0.631 119.297 119.914 0.024 0.000 2.358 143 V HA -0.389 3.755 4.120 0.040 0.000 0.246 143 V C 1.586 177.670 176.094 -0.017 0.000 1.047 143 V CA 3.597 65.923 62.300 0.043 0.000 1.035 143 V CB 0.094 32.006 31.823 0.148 0.000 0.658 143 V HN -0.591 7.635 8.190 0.060 0.000 0.452 144 A N -2.871 119.887 122.820 -0.103 0.000 2.066 144 A HA -0.174 4.080 4.320 -0.110 0.000 0.218 144 A C 0.709 178.237 177.584 -0.093 0.000 1.157 144 A CA 1.872 53.818 52.037 -0.151 0.000 0.670 144 A CB -0.282 18.522 19.000 -0.326 0.000 0.804 144 A HN -0.357 7.705 8.150 -0.148 0.000 0.453 145 R N -2.555 117.903 120.500 -0.070 0.000 2.075 145 R HA -0.190 4.119 4.340 -0.052 0.000 0.232 145 R C 0.799 177.081 176.300 -0.032 0.000 1.126 145 R CA 0.978 57.050 56.100 -0.046 0.000 0.963 145 R CB 0.294 30.575 30.300 -0.032 0.000 0.858 145 R HN -0.577 7.416 8.270 -0.066 0.238 0.435 146 L N -0.684 120.526 121.223 -0.022 0.000 2.894 146 L HA -0.277 4.056 4.340 -0.011 0.000 0.286 146 L C -2.147 174.713 176.870 -0.016 0.000 1.077 146 L CA 1.322 56.154 54.840 -0.013 0.000 1.070 146 L CB -0.167 41.892 42.059 -0.001 0.000 1.470 146 L HN -0.717 7.501 8.230 -0.020 0.000 0.452 147 A N 4.965 127.775 122.820 -0.018 0.000 2.583 147 A HA 0.147 4.457 4.320 -0.016 0.000 0.292 147 A C -2.123 175.449 177.584 -0.021 0.000 1.045 147 A CA -0.459 51.566 52.037 -0.020 0.000 0.672 147 A CB 1.803 20.788 19.000 -0.025 0.000 1.283 147 A HN -0.592 7.548 8.150 -0.017 0.000 0.419 148 E N 1.346 121.532 120.200 -0.022 0.000 2.176 148 E HA 0.365 4.700 4.350 -0.026 0.000 0.267 148 E C -2.282 174.298 176.600 -0.034 0.000 0.893 148 E CA -2.642 53.742 56.400 -0.026 0.000 0.761 148 E CB 1.036 30.722 29.700 -0.023 0.000 1.133 148 E HN 0.042 8.390 8.360 -0.021 0.000 0.409 149 P HA 0.153 4.543 4.420 -0.050 0.000 0.280 149 P C -1.510 175.749 177.300 -0.069 0.000 1.244 149 P CA -0.195 62.873 63.100 -0.054 0.000 0.784 149 P CB 0.513 32.179 31.700 -0.057 0.000 0.913 150 A N 1.681 124.455 122.820 -0.077 0.000 2.306 150 A HA 0.216 4.483 4.320 -0.089 0.000 0.330 150 A C -0.263 177.233 177.584 -0.147 0.000 1.146 150 A CA -0.414 51.568 52.037 -0.092 0.000 0.827 150 A CB 1.260 20.220 19.000 -0.066 0.000 1.178 150 A HN 0.118 8.227 8.150 -0.069 0.000 0.490 151 G N -0.083 108.600 108.800 -0.195 0.000 2.420 151 G HA2 0.177 3.895 3.960 -0.403 0.000 0.284 151 G HA3 0.177 3.883 3.960 -0.423 0.000 0.284 151 G C -1.064 173.658 174.900 -0.297 0.000 1.177 151 G CA -1.911 42.982 45.100 -0.346 0.000 0.841 151 G HN 0.112 8.306 8.290 -0.160 0.000 0.527 152 P HA -0.034 4.336 4.420 -0.084 0.000 0.215 152 P C -0.635 176.653 177.300 -0.019 0.000 1.157 152 P CA 1.273 64.288 63.100 -0.141 0.000 0.856 152 P CB 0.525 32.202 31.700 -0.038 0.000 0.786 153 W N -5.525 115.768 121.300 -0.011 0.000 2.735 153 W HA 0.125 4.767 4.660 -0.030 0.000 0.264 153 W C 1.249 177.781 176.519 0.023 0.000 1.233 153 W CA 0.449 57.786 57.345 -0.013 0.000 1.408 153 W CB -1.579 27.862 29.460 -0.032 0.000 1.038 153 W HN -0.657 7.125 8.180 -0.664 0.000 0.603 154 A N 0.091 122.669 122.820 -0.403 0.000 1.986 154 A HA -0.273 4.056 4.320 0.015 0.000 0.220 154 A C 0.648 178.216 177.584 -0.026 0.000 1.171 154 A CA 2.321 54.246 52.037 -0.186 0.000 0.640 154 A CB -1.076 17.714 19.000 -0.349 0.000 0.811 154 A HN -0.209 7.330 8.150 -1.019 0.000 0.451 155 D N -2.390 117.985 120.400 -0.043 0.000 2.277 155 D HA -0.062 4.585 4.640 0.012 0.000 0.208 155 D C -0.025 176.333 176.300 0.096 0.000 0.962 155 D CA 0.674 54.683 54.000 0.015 0.000 0.865 155 D CB 0.704 41.498 40.800 -0.010 0.000 0.939 155 D HN -0.350 7.940 8.370 -0.107 0.015 0.510 156 I N 0.397 121.050 120.570 0.139 0.000 2.452 156 I HA -0.074 4.228 4.170 0.219 0.000 0.287 156 I C -0.796 175.573 176.117 0.421 0.000 1.079 156 I CA 0.427 61.863 61.300 0.227 0.000 1.387 156 I CB 0.009 38.067 38.000 0.096 0.000 1.404 156 I HN -0.333 7.756 8.210 0.121 0.194 0.522 157 T N 8.601 123.464 114.554 0.514 0.000 2.841 157 T HA 0.166 4.779 4.350 0.437 0.000 0.285 157 T C -1.345 173.398 174.700 0.073 0.000 0.991 157 T CA -1.330 60.997 62.100 0.379 0.000 0.966 157 T CB 2.012 70.981 68.868 0.170 0.000 0.962 157 T HN 0.130 8.651 8.240 0.469 0.000 0.438 158 Q N 6.344 125.724 119.800 -0.700 0.000 2.289 158 Q HA -0.090 2.324 4.340 -3.209 0.000 0.273 158 Q C -0.493 175.160 176.000 -0.579 0.000 1.029 158 Q CA 0.588 55.381 55.803 -1.682 0.000 0.896 158 Q CB 0.999 28.961 28.738 -1.294 0.000 1.182 158 Q HN 0.215 8.356 8.270 -0.215 0.000 0.385 159 G N 3.766 112.310 108.800 -0.426 0.000 2.537 159 G HA2 0.428 4.298 3.960 -0.150 0.000 0.308 159 G HA3 0.428 4.328 3.960 -0.101 0.000 0.308 159 G C -2.315 172.507 174.900 -0.130 0.000 1.237 159 G CA -2.715 42.279 45.100 -0.177 0.000 0.968 159 G HN -0.048 7.953 8.290 -0.482 0.000 0.481 160 P HA 0.100 4.483 4.420 -0.062 0.000 0.225 160 P C -0.229 177.054 177.300 -0.029 0.000 1.156 160 P CA 0.773 63.841 63.100 -0.054 0.000 0.787 160 P CB 0.779 32.452 31.700 -0.044 0.000 0.802 161 S N -3.044 112.644 115.700 -0.019 0.000 2.406 161 S HA -0.071 4.399 4.470 -0.001 0.000 0.228 161 S C 0.281 174.890 174.600 0.014 0.000 1.020 161 S CA 1.144 59.344 58.200 0.000 0.000 0.965 161 S CB 0.218 63.422 63.200 0.007 0.000 0.798 161 S HN -0.213 8.058 8.310 -0.025 0.024 0.488 162 E N -0.429 119.781 120.200 0.018 0.000 2.216 162 E HA 0.069 4.454 4.350 0.058 0.000 0.279 162 E C -0.757 175.875 176.600 0.054 0.000 0.997 162 E CA -1.422 55.012 56.400 0.057 0.000 0.817 162 E CB 0.926 30.700 29.700 0.123 0.000 1.096 162 E HN -0.491 7.751 8.360 -0.006 0.114 0.393 163 S N 3.731 119.472 115.700 0.068 0.000 2.569 163 S HA -0.213 4.292 4.470 0.059 0.000 0.274 163 S C 1.190 175.865 174.600 0.124 0.000 1.353 163 S CA 0.568 58.810 58.200 0.070 0.000 1.023 163 S CB 0.641 63.864 63.200 0.038 0.000 0.876 163 S HN 0.549 8.897 8.310 0.063 0.000 0.540 164 F N 3.970 123.889 119.950 -0.051 0.000 2.084 164 F HA -0.200 4.262 4.527 -0.109 0.000 0.296 164 F C 1.237 176.984 175.800 -0.088 0.000 1.111 164 F CA 3.324 61.261 58.000 -0.104 0.000 1.224 164 F CB -0.530 38.371 39.000 -0.165 0.000 0.991 164 F HN 0.534 8.961 8.300 0.211 0.000 0.471 165 V N 0.192 119.756 119.914 -0.584 0.000 2.358 165 V HA -0.343 3.131 4.120 -1.077 0.000 0.246 165 V C 1.349 177.283 176.094 -0.266 0.000 1.047 165 V CA 4.084 65.994 62.300 -0.650 0.000 1.035 165 V CB -0.623 30.946 31.823 -0.422 0.000 0.658 165 V HN -0.236 7.788 8.190 -0.276 0.000 0.452 166 D N -0.958 119.379 120.400 -0.106 0.000 2.104 166 D HA -0.292 4.321 4.640 -0.045 0.000 0.194 166 D C 2.184 178.507 176.300 0.037 0.000 0.994 166 D CA 3.150 57.139 54.000 -0.019 0.000 0.830 166 D CB -0.393 40.424 40.800 0.028 0.000 0.959 166 D HN 0.020 8.341 8.370 -0.081 0.000 0.452 167 F N 0.518 120.437 119.950 -0.052 0.000 2.146 167 F HA -0.311 4.241 4.527 0.042 0.000 0.298 167 F C 0.947 176.784 175.800 0.061 0.000 1.096 167 F CA 3.119 61.133 58.000 0.024 0.000 1.275 167 F CB 0.092 39.130 39.000 0.063 0.000 1.008 167 F HN -0.284 8.037 8.300 0.221 0.111 0.480 168 A N -0.820 122.026 122.820 0.042 0.000 1.978 168 A HA -0.504 4.105 4.320 0.482 0.000 0.220 168 A C 1.890 179.482 177.584 0.014 0.000 1.170 168 A CA 3.406 55.505 52.037 0.104 0.000 0.636 168 A CB -0.906 17.952 19.000 -0.235 0.000 0.810 168 A HN 0.680 8.642 8.150 -0.010 0.182 0.448 169 N N -2.028 116.630 118.700 -0.070 0.000 2.080 169 N HA -0.334 4.381 4.740 -0.041 0.000 0.189 169 N C 2.302 177.766 175.510 -0.077 0.000 1.036 169 N CA 3.864 56.877 53.050 -0.061 0.000 0.846 169 N CB -0.142 38.310 38.487 -0.058 0.000 1.015 169 N HN -0.060 8.153 8.380 -0.091 0.112 0.423 170 R N 0.196 120.625 120.500 -0.118 0.000 2.105 170 R HA -0.286 4.010 4.340 -0.073 0.000 0.239 170 R C 2.559 178.760 176.300 -0.165 0.000 1.135 170 R CA 3.365 59.387 56.100 -0.131 0.000 0.967 170 R CB -0.097 30.118 30.300 -0.143 0.000 0.861 170 R HN -0.538 7.594 8.270 -0.120 0.067 0.442 171 L N 0.278 121.334 121.223 -0.278 0.000 2.027 171 L HA -0.290 3.951 4.340 -0.165 0.000 0.206 171 L C 1.520 178.335 176.870 -0.091 0.000 1.074 171 L CA 3.170 57.884 54.840 -0.211 0.000 0.745 171 L CB 0.202 42.092 42.059 -0.283 0.000 0.898 171 L HN 0.321 8.141 8.230 -0.369 0.188 0.433 172 I N -0.671 119.858 120.570 -0.069 0.000 2.208 172 I HA -0.698 3.415 4.170 -0.095 0.000 0.245 172 I C 1.909 177.999 176.117 -0.045 0.000 1.097 172 I CA 4.702 65.967 61.300 -0.059 0.000 1.363 172 I CB -0.350 37.635 38.000 -0.024 0.000 1.051 172 I HN 0.514 8.574 8.210 -0.048 0.122 0.413 173 K N -0.257 120.122 120.400 -0.036 0.000 2.097 173 K HA -0.232 4.259 4.320 -0.016 -0.181 0.206 173 K C 2.525 179.129 176.600 0.006 0.000 1.049 173 K CA 3.435 59.711 56.287 -0.018 0.000 0.933 173 K CB -0.178 32.310 32.500 -0.020 0.000 0.717 173 K HN 0.406 8.441 8.250 -0.048 0.186 0.442 174 A N -0.156 122.675 122.820 0.018 0.000 1.855 174 A HA -0.201 4.163 4.320 0.074 0.000 0.215 174 A C 1.921 179.591 177.584 0.143 0.000 1.191 174 A CA 2.813 54.902 52.037 0.087 0.000 0.613 174 A CB -0.521 18.551 19.000 0.120 0.000 0.829 174 A HN -0.441 7.590 8.150 -0.009 0.114 0.442 175 V N -0.679 119.281 119.914 0.077 0.000 2.287 175 V HA -0.375 3.798 4.120 0.088 0.000 0.248 175 V C 2.965 179.052 176.094 -0.011 0.000 1.053 175 V CA 2.799 65.081 62.300 -0.031 0.000 1.027 175 V CB -0.327 31.325 31.823 -0.284 0.000 0.646 175 V HN 0.230 8.323 8.190 0.015 0.106 0.447 176 E N 0.202 120.390 120.200 -0.021 0.000 2.085 176 E HA -0.287 4.046 4.350 -0.029 0.000 0.194 176 E C 1.949 178.559 176.600 0.018 0.000 0.994 176 E CA 2.826 59.218 56.400 -0.013 0.000 0.801 176 E CB -0.084 29.606 29.700 -0.017 0.000 0.743 176 E HN 0.506 8.729 8.360 -0.029 0.119 0.453 177 G N -2.271 106.551 108.800 0.037 0.000 3.327 177 G HA2 0.008 3.987 3.960 0.032 0.000 0.240 177 G HA3 0.008 3.991 3.960 0.039 0.000 0.240 177 G C -1.111 173.835 174.900 0.078 0.000 1.222 177 G CA -0.153 44.975 45.100 0.045 0.000 0.871 177 G HN -0.271 7.854 8.290 0.039 0.188 0.525 178 S N -0.358 115.411 115.700 0.115 0.000 2.689 178 S HA 0.167 4.723 4.470 0.142 0.000 0.306 178 S C -1.322 173.368 174.600 0.150 0.000 1.104 178 S CA -1.556 56.757 58.200 0.188 0.000 0.973 178 S CB 2.937 66.401 63.200 0.440 0.000 1.121 178 S HN -0.442 7.715 8.310 0.093 0.208 0.523 179 D N 1.316 121.814 120.400 0.164 0.000 2.479 179 D HA 0.218 4.906 4.640 0.081 0.000 0.218 179 D C -1.292 175.100 176.300 0.153 0.000 1.131 179 D CA -0.253 53.816 54.000 0.116 0.000 0.916 179 D CB -0.561 40.286 40.800 0.079 0.000 1.022 179 D HN 0.231 8.706 8.370 0.176 0.000 0.515 180 L N 4.103 125.388 121.223 0.104 0.000 2.303 180 L HA 0.474 4.893 4.340 0.132 0.000 0.266 180 L C -1.872 175.012 176.870 0.022 0.000 1.011 180 L CA -3.209 51.673 54.840 0.070 0.000 0.818 180 L CB 1.665 43.700 42.059 -0.040 0.000 1.326 180 L HN -0.421 7.848 8.230 0.065 0.000 0.435 181 P HA 0.355 4.779 4.420 0.007 0.000 0.277 181 P C -2.220 175.067 177.300 -0.021 0.000 1.271 181 P CA -1.771 61.328 63.100 -0.000 0.000 0.795 181 P CB -0.810 30.893 31.700 0.004 0.000 1.101 182 P HA 0.108 4.512 4.420 -0.028 0.000 0.276 182 P C -0.341 176.940 177.300 -0.031 0.000 1.230 182 P CA 0.405 63.491 63.100 -0.023 0.000 0.776 182 P CB 0.032 31.723 31.700 -0.015 0.000 0.888 183 S N -0.937 114.739 115.700 -0.040 0.000 3.018 183 S HA -0.365 4.078 4.470 -0.045 0.000 0.274 183 S C -0.187 174.375 174.600 -0.062 0.000 1.300 183 S CA 1.347 59.520 58.200 -0.045 0.000 1.179 183 S CB -0.480 62.700 63.200 -0.033 0.000 1.427 183 S HN 0.328 8.614 8.310 -0.041 0.000 0.668 184 A N -1.221 121.553 122.820 -0.077 0.000 2.169 184 A HA 0.004 4.263 4.320 -0.102 0.000 0.210 184 A C -0.200 177.281 177.584 -0.172 0.000 1.168 184 A CA 0.680 52.650 52.037 -0.111 0.000 0.813 184 A CB 0.768 19.711 19.000 -0.094 0.000 0.861 184 A HN -0.558 7.490 8.150 -0.069 0.060 0.481 185 R N -1.308 119.104 120.500 -0.147 0.000 3.266 185 R HA -0.133 4.057 4.340 -0.250 0.000 0.224 185 R C -1.435 174.778 176.300 -0.145 0.000 1.525 185 R CA 0.544 56.541 56.100 -0.173 0.000 1.364 185 R CB -1.817 28.408 30.300 -0.126 0.000 1.276 185 R HN 0.127 8.301 8.270 -0.108 0.031 0.660 186 A N 3.290 126.006 122.820 -0.174 0.000 3.497 186 A HA 0.207 4.450 4.320 -0.128 0.000 0.196 186 A C -2.050 175.438 177.584 -0.159 0.000 1.324 186 A CA 1.706 53.661 52.037 -0.135 0.000 1.267 186 A CB -1.340 17.610 19.000 -0.083 0.000 0.967 186 A HN -0.118 7.872 8.150 -0.225 0.026 0.441 187 P HA -0.045 4.306 4.420 -0.115 0.000 0.224 187 P C 1.136 178.320 177.300 -0.193 0.000 1.157 187 P CA 2.725 65.744 63.100 -0.135 0.000 0.799 187 P CB 0.198 31.842 31.700 -0.094 0.000 0.809 188 V N 0.080 119.837 119.914 -0.262 0.000 2.379 188 V HA -0.417 3.553 4.120 -0.249 0.000 0.245 188 V C 1.970 177.809 176.094 -0.425 0.000 1.044 188 V CA 4.259 66.348 62.300 -0.351 0.000 1.036 188 V CB -0.145 31.362 31.823 -0.527 0.000 0.664 188 V HN -0.929 7.087 8.190 -0.262 0.017 0.453 189 I N -0.692 119.597 120.570 -0.468 0.000 2.202 189 I HA -0.458 3.375 4.170 -0.562 0.000 0.242 189 I C 1.705 177.187 176.117 -1.059 0.000 1.091 189 I CA 4.238 65.163 61.300 -0.625 0.000 1.368 189 I CB -0.166 37.559 38.000 -0.458 0.000 1.058 189 I HN -0.531 7.439 8.210 -0.400 0.000 0.410 190 I N -0.905 119.253 120.570 -0.687 0.000 2.286 190 I HA -0.588 3.113 4.170 -0.781 0.000 0.248 190 I C 1.677 177.637 176.117 -0.262 0.000 1.115 190 I CA 4.070 65.081 61.300 -0.481 0.000 1.392 190 I CB -0.670 37.277 38.000 -0.088 0.000 1.065 190 I HN -0.306 7.652 8.210 -0.421 0.000 0.418 191 D N -0.125 120.144 120.400 -0.219 0.000 2.123 191 D HA -0.225 4.396 4.640 -0.032 0.000 0.196 191 D C 2.086 178.370 176.300 -0.026 0.000 0.992 191 D CA 3.055 57.004 54.000 -0.085 0.000 0.833 191 D CB -0.481 40.271 40.800 -0.080 0.000 0.954 191 D HN 0.175 8.183 8.370 -0.259 0.206 0.455 192 C N -0.872 118.374 119.300 -0.089 0.000 2.413 192 C HA -0.319 4.227 4.460 0.144 0.000 0.276 192 C C 2.637 177.804 174.990 0.295 0.000 1.236 192 C CA 3.848 62.931 59.018 0.108 0.000 1.735 192 C CB -0.617 27.209 27.740 0.144 0.000 2.031 192 C HN -0.417 7.577 8.230 -0.250 0.086 0.474 193 F N -1.098 118.970 119.950 0.198 0.000 2.120 193 F HA -0.194 4.451 4.527 0.196 0.000 0.300 193 F C 1.499 177.329 175.800 0.050 0.000 1.095 193 F CA 1.837 59.935 58.000 0.164 0.000 1.249 193 F CB -1.136 37.990 39.000 0.210 0.000 0.995 193 F HN -0.581 7.540 8.300 -0.188 0.067 0.480 194 R N -4.637 116.000 120.500 0.229 0.000 2.426 194 R HA 0.041 4.438 4.340 0.095 0.000 0.263 194 R C 0.219 176.570 176.300 0.086 0.000 0.961 194 R CA 0.059 56.230 56.100 0.117 0.000 1.086 194 R CB -0.634 29.721 30.300 0.091 0.000 1.186 194 R HN -0.410 7.881 8.270 0.197 0.097 0.537 195 Q N -0.256 119.609 119.800 0.108 0.000 2.200 195 Q HA -0.024 4.358 4.340 0.069 0.000 0.197 195 Q C 0.282 176.325 176.000 0.072 0.000 0.953 195 Q CA 2.412 58.269 55.803 0.089 0.000 0.851 195 Q CB 1.412 30.217 28.738 0.113 0.000 0.938 195 Q HN 0.233 8.364 8.270 0.157 0.233 0.488 196 K N -4.636 115.809 120.400 0.075 0.000 2.904 196 K HA 0.249 4.622 4.320 0.024 -0.039 0.257 196 K C -1.327 175.270 176.600 -0.004 0.000 1.834 196 K CA -0.603 55.704 56.287 0.033 0.000 1.045 196 K CB 2.047 34.568 32.500 0.035 0.000 2.283 196 K HN -0.456 7.859 8.250 0.108 0.000 0.397 197 S N -2.169 113.504 115.700 -0.045 0.000 2.665 197 S HA -0.380 4.325 4.470 -0.196 -0.352 0.631 197 S C -0.298 174.245 174.600 -0.096 0.000 3.286 197 S CA 1.630 59.759 58.200 -0.118 0.000 3.611 197 S CB -0.243 62.893 63.200 -0.107 0.000 0.330 197 S HN 0.104 8.386 8.310 -0.047 0.000 1.726 198 Q N 2.818 122.547 119.800 -0.120 0.000 2.312 198 Q HA 0.285 4.577 4.340 -0.080 0.000 0.236 198 Q C -0.731 175.218 176.000 -0.086 0.000 0.965 198 Q CA -1.563 54.181 55.803 -0.099 0.000 0.894 198 Q CB -0.812 27.860 28.738 -0.112 0.000 1.225 198 Q HN 0.135 8.312 8.270 -0.154 0.000 0.478 199 P HA -0.068 4.325 4.420 -0.045 0.000 0.218 199 P C 0.597 177.859 177.300 -0.064 0.000 1.152 199 P CA 2.683 65.751 63.100 -0.052 0.000 0.826 199 P CB 0.267 31.945 31.700 -0.038 0.000 0.790 200 D N -0.782 119.572 120.400 -0.076 0.000 2.178 200 D HA -0.221 4.378 4.640 -0.067 0.000 0.202 200 D C 1.978 178.203 176.300 -0.125 0.000 0.974 200 D CA 3.567 57.515 54.000 -0.086 0.000 0.841 200 D CB -0.814 39.936 40.800 -0.084 0.000 0.953 200 D HN 0.432 8.757 8.370 -0.074 0.000 0.478 201 I N 0.099 120.570 120.570 -0.165 0.000 2.233 201 I HA -0.306 3.684 4.170 -0.300 0.000 0.243 201 I C 1.961 177.963 176.117 -0.192 0.000 1.093 201 I CA 2.295 63.438 61.300 -0.263 0.000 1.380 201 I CB -0.801 36.972 38.000 -0.378 0.000 1.067 201 I HN -0.317 7.699 8.210 -0.149 0.104 0.413 202 Q N -0.712 119.019 119.800 -0.115 0.000 2.124 202 Q HA -0.412 3.909 4.340 -0.033 0.000 0.202 202 Q C 2.621 178.606 176.000 -0.026 0.000 0.977 202 Q CA 3.690 59.464 55.803 -0.048 0.000 0.850 202 Q CB -0.307 28.418 28.738 -0.023 0.000 0.901 202 Q HN -0.191 7.947 8.270 -0.108 0.067 0.429 203 Q N 0.095 119.871 119.800 -0.039 0.000 2.170 203 Q HA -0.247 4.091 4.340 -0.003 0.000 0.203 203 Q C 2.258 178.254 176.000 -0.006 0.000 0.976 203 Q CA 2.928 58.719 55.803 -0.019 0.000 0.858 203 Q CB -0.721 28.000 28.738 -0.029 0.000 0.907 203 Q HN 0.122 8.250 8.270 -0.057 0.108 0.433 204 L N -1.818 119.379 121.223 -0.045 0.000 2.044 204 L HA -0.311 4.017 4.340 -0.020 0.000 0.205 204 L C 2.180 179.120 176.870 0.117 0.000 1.075 204 L CA 2.786 57.600 54.840 -0.044 0.000 0.747 204 L CB -0.082 41.858 42.059 -0.198 0.000 0.903 204 L HN -0.870 7.193 8.230 -0.088 0.115 0.435 205 I N -2.266 118.350 120.570 0.077 0.000 2.286 205 I HA -0.512 3.842 4.170 0.308 0.000 0.248 205 I C 2.655 178.856 176.117 0.140 0.000 1.115 205 I CA 4.119 65.520 61.300 0.168 0.000 1.392 205 I CB 0.015 38.085 38.000 0.117 0.000 1.065 205 I HN 0.010 8.209 8.210 -0.020 0.000 0.418 206 R N 1.343 121.894 120.500 0.085 0.000 2.120 206 R HA -0.234 4.139 4.340 0.054 0.000 0.234 206 R C 0.722 177.063 176.300 0.068 0.000 1.123 206 R CA 2.785 58.921 56.100 0.060 0.000 0.975 206 R CB -0.253 30.069 30.300 0.036 0.000 0.866 206 R HN 0.537 8.648 8.270 0.057 0.193 0.446 207 A N -3.021 119.862 122.820 0.104 0.000 2.251 207 A HA 0.038 4.399 4.320 0.067 0.000 0.209 207 A C -0.498 177.174 177.584 0.146 0.000 1.187 207 A CA -0.569 51.536 52.037 0.112 0.000 0.823 207 A CB -0.191 18.877 19.000 0.113 0.000 0.846 207 A HN -0.473 7.627 8.150 0.117 0.121 0.486 208 A N -0.074 122.841 122.820 0.158 0.000 2.448 208 A HA 0.037 4.083 4.320 -0.456 0.000 0.239 208 A C -1.731 175.733 177.584 -0.200 0.000 1.080 208 A CA -1.491 50.477 52.037 -0.115 0.000 0.779 208 A CB -0.822 18.172 19.000 -0.011 0.000 1.026 208 A HN -0.621 7.482 8.150 0.180 0.155 0.499 209 P HA 0.220 4.556 4.420 -0.141 0.000 0.277 209 P C -0.657 176.563 177.300 -0.135 0.000 1.240 209 P CA -0.683 62.291 63.100 -0.209 0.000 0.798 209 P CB 1.365 32.923 31.700 -0.237 0.000 0.979 210 S N -0.075 115.576 115.700 -0.082 0.000 2.679 210 S HA 0.053 4.492 4.470 -0.052 0.000 0.233 210 S C -0.043 174.527 174.600 -0.050 0.000 0.951 210 S CA 0.258 58.425 58.200 -0.054 0.000 0.973 210 S CB 0.092 63.271 63.200 -0.035 0.000 0.778 210 S HN 0.255 8.522 8.310 -0.071 0.000 0.477 211 T N 1.409 115.924 114.554 -0.066 0.000 3.054 211 T HA 0.121 4.448 4.350 -0.039 0.000 0.255 211 T C -1.502 173.169 174.700 -0.048 0.000 1.035 211 T CA -0.367 61.702 62.100 -0.051 0.000 0.941 211 T CB 0.423 69.260 68.868 -0.052 0.000 1.026 211 T HN -0.274 7.807 8.240 -0.092 0.103 0.533 212 L N -2.974 118.214 121.223 -0.058 0.000 2.466 212 L HA 0.492 4.816 4.340 -0.027 0.000 0.258 212 L C -1.783 175.070 176.870 -0.027 0.000 0.973 212 L CA 0.061 54.877 54.840 -0.040 0.000 0.826 212 L CB 2.454 44.487 42.059 -0.043 0.000 1.372 212 L HN -0.924 7.215 8.230 -0.074 0.046 0.409 213 T N -5.266 109.284 114.554 -0.007 0.000 4.487 213 T HA 0.264 4.627 4.350 0.021 0.000 0.232 213 T C -1.414 173.288 174.700 0.004 0.000 0.941 213 T CA -0.694 61.408 62.100 0.002 0.000 1.315 213 T CB 0.588 69.447 68.868 -0.014 0.000 0.851 213 T HN 0.266 8.502 8.240 -0.006 0.000 0.559 214 T N -2.662 111.909 114.554 0.027 0.000 2.924 214 T HA 0.330 4.676 4.350 -0.007 0.000 0.291 214 T C -1.550 173.193 174.700 0.071 0.000 1.045 214 T CA -3.567 58.546 62.100 0.022 0.000 1.015 214 T CB 1.621 70.497 68.868 0.013 0.000 1.103 214 T HN -0.758 7.508 8.240 0.043 0.000 0.496 215 P HA 0.095 4.656 4.420 0.235 0.000 0.228 215 P C -1.325 176.040 177.300 0.109 0.000 1.748 215 P CA -0.248 62.926 63.100 0.123 0.000 0.909 215 P CB -1.765 29.965 31.700 0.051 0.000 1.882 216 G N -1.028 107.839 108.800 0.112 0.000 3.408 216 G HA2 0.106 4.100 3.960 0.056 0.000 0.214 216 G HA3 0.106 4.097 3.960 0.052 0.000 0.214 216 G C 0.263 175.223 174.900 0.101 0.000 1.557 216 G CA 1.289 46.435 45.100 0.077 0.000 0.801 216 G HN -0.038 8.245 8.290 0.133 0.087 0.883 217 E N 3.215 123.477 120.200 0.104 0.000 2.152 217 E HA -0.092 4.324 4.350 0.111 0.000 0.192 217 E C 2.421 179.142 176.600 0.202 0.000 0.983 217 E CA 2.933 59.403 56.400 0.117 0.000 0.818 217 E CB 0.044 29.783 29.700 0.064 0.000 0.758 217 E HN -0.693 7.718 8.360 0.085 0.000 0.467 218 I N -0.332 120.376 120.570 0.229 0.000 2.226 218 I HA -0.400 3.981 4.170 0.352 0.000 0.245 218 I C 1.542 177.926 176.117 0.446 0.000 1.100 218 I CA 3.018 64.527 61.300 0.348 0.000 1.374 218 I CB -0.495 37.713 38.000 0.346 0.000 1.057 218 I HN -0.651 7.675 8.210 0.192 0.000 0.413 219 I N -1.094 119.702 120.570 0.377 0.000 2.193 219 I HA -0.549 4.084 4.170 0.771 0.000 0.240 219 I C 1.512 177.774 176.117 0.242 0.000 1.084 219 I CA 4.645 66.148 61.300 0.340 0.000 1.365 219 I CB -0.359 37.586 38.000 -0.091 0.000 1.064 219 I HN -0.386 8.000 8.210 0.293 0.000 0.410 220 K N 0.089 120.586 120.400 0.163 0.000 2.152 220 K HA -0.402 3.966 4.320 0.080 0.000 0.206 220 K C 2.449 179.152 176.600 0.171 0.000 1.048 220 K CA 3.481 59.843 56.287 0.126 0.000 0.933 220 K CB -0.107 32.452 32.500 0.098 0.000 0.721 220 K HN 0.150 8.372 8.250 0.147 0.116 0.447 221 Y N 0.227 120.584 120.300 0.094 0.000 2.184 221 Y HA -0.316 4.266 4.550 0.054 0.000 0.290 221 Y C 1.763 177.709 175.900 0.075 0.000 1.129 221 Y CA 2.983 61.128 58.100 0.074 0.000 1.144 221 Y CB -0.097 38.406 38.460 0.073 0.000 0.995 221 Y HN 0.046 8.333 8.280 0.362 0.210 0.513 222 V N 0.134 119.952 119.914 -0.161 0.000 2.343 222 V HA -0.554 3.173 4.120 -0.655 0.000 0.247 222 V C 1.995 178.009 176.094 -0.133 0.000 1.051 222 V CA 4.307 66.431 62.300 -0.293 0.000 1.036 222 V CB -0.548 31.190 31.823 -0.141 0.000 0.654 222 V HN -0.192 8.044 8.190 0.180 0.062 0.451 223 L N -1.011 120.239 121.223 0.046 0.000 2.046 223 L HA -0.480 3.889 4.340 0.049 0.000 0.208 223 L C 2.003 178.863 176.870 -0.016 0.000 1.077 223 L CA 3.538 58.404 54.840 0.042 0.000 0.747 223 L CB -0.940 41.159 42.059 0.067 0.000 0.896 223 L HN 0.695 8.898 8.230 0.144 0.113 0.432 224 D N -1.728 118.659 120.400 -0.021 0.000 2.144 224 D HA -0.284 4.356 4.640 0.001 0.000 0.199 224 D C 1.727 177.988 176.300 -0.064 0.000 0.984 224 D CA 3.927 57.918 54.000 -0.016 0.000 0.834 224 D CB 0.208 41.029 40.800 0.036 0.000 0.955 224 D HN -0.147 8.033 8.370 0.001 0.190 0.465 225 R N -2.182 118.220 120.500 -0.165 0.000 2.090 225 R HA -0.209 4.059 4.340 -0.121 0.000 0.228 225 R C 2.092 178.319 176.300 -0.122 0.000 1.110 225 R CA 1.997 57.985 56.100 -0.186 0.000 0.973 225 R CB -0.071 30.006 30.300 -0.372 0.000 0.869 225 R HN -0.228 7.687 8.270 -0.248 0.207 0.440 226 Q N -2.746 116.986 119.800 -0.113 0.000 2.077 226 Q HA -0.265 4.024 4.340 -0.085 0.000 0.206 226 Q C 0.985 176.957 176.000 -0.047 0.000 0.989 226 Q CA 2.475 58.234 55.803 -0.073 0.000 0.853 226 Q CB 0.607 29.317 28.738 -0.047 0.000 0.907 226 Q HN -0.052 7.949 8.270 -0.127 0.193 0.418 227 K N -1.815 118.564 120.400 -0.035 0.000 2.507 227 K HA 0.161 4.468 4.320 -0.022 0.000 0.253 227 K C -0.845 175.744 176.600 -0.018 0.000 0.969 227 K CA -0.975 55.299 56.287 -0.022 0.000 0.908 227 K CB -0.068 32.424 32.500 -0.013 0.000 1.127 227 K HN -0.623 7.606 8.250 -0.035 0.000 0.437 228 I N 0.113 120.673 120.570 -0.016 0.000 3.228 228 I HA 0.139 4.306 4.170 -0.006 0.000 0.279 228 I C -0.107 176.008 176.117 -0.003 0.000 1.221 228 I CA -0.297 60.998 61.300 -0.009 0.000 1.458 228 I CB 0.769 38.763 38.000 -0.009 0.000 1.105 228 I HN 0.276 8.475 8.210 -0.018 0.000 0.445 229 A N 0.114 122.931 122.820 -0.005 0.000 2.861 229 A HA -0.245 4.072 4.320 -0.004 0.000 0.672 229 A C -1.508 176.076 177.584 -0.001 0.000 0.374 229 A CA -0.243 51.792 52.037 -0.003 0.000 0.264 229 A CB -1.439 17.561 19.000 -0.001 0.000 3.872 229 A HN -0.116 8.029 8.150 -0.008 0.000 0.543 230 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 230 P CA 0.000 63.100 63.100 0.000 0.000 0.800 230 P CB 0.000 31.700 31.700 -0.000 0.000 0.726