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 1ots_1_E DATA FIRST_RESID 2 DATA SEQUENCE VRLLESGGGL VQPGGSLKLS cAASGFDYSR YWMSWVRQAP GKGLKWIGEI DATA SEQUENCE NPVSSTINYT PSLKDKFIIS RDNAKDTLYL QISKVRSEDT ALYYcARLYY DATA SEQUENCE GYGYWYFDVW GAGTTVTVSS AKTTPPSVYP LAPGSAAAAA SMVTLGcLVK DATA SEQUENCE GYFPEPVTVT WNSGSLAAGV HTFPAVLQAA LYTLSSSVTV PSSSWPSETV DATA SEQUENCE TcNVAHPASS TKVDKKIVPR A 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.080 176.094 -0.024 0.000 1.182 2 V CA 0.000 62.281 62.300 -0.031 0.000 1.235 2 V CB 0.000 31.687 31.823 -0.226 0.000 1.184 3 R N 3.905 124.442 120.500 0.063 0.000 2.575 3 R HA 0.882 5.222 4.340 0.001 0.000 0.293 3 R C -1.645 174.712 176.300 0.094 0.000 0.983 3 R CA -0.763 55.370 56.100 0.055 0.000 0.887 3 R CB 2.128 32.458 30.300 0.051 0.000 1.184 3 R HN 0.908 9.178 8.270 -0.000 0.000 0.445 4 L N 5.400 126.660 121.223 0.061 0.000 2.316 4 L HA 0.438 4.779 4.340 0.001 0.000 0.280 4 L C -0.940 175.966 176.870 0.060 0.000 1.006 4 L CA -0.752 54.128 54.840 0.066 0.000 0.836 4 L CB 1.756 43.843 42.059 0.047 0.000 1.221 4 L HN 0.414 8.644 8.230 -0.000 0.000 0.418 5 L N 5.926 127.176 121.223 0.044 0.000 2.313 5 L HA 0.371 4.712 4.340 0.001 0.000 0.273 5 L C -0.142 176.763 176.870 0.058 0.000 1.028 5 L CA -0.287 54.583 54.840 0.050 0.000 0.871 5 L CB 1.116 43.194 42.059 0.032 0.000 1.242 5 L HN 0.621 8.851 8.230 -0.000 0.000 0.434 6 E N 3.018 123.279 120.200 0.102 0.000 2.249 6 E HA 0.448 4.798 4.350 0.001 0.000 0.280 6 E C -0.633 176.057 176.600 0.150 0.000 1.016 6 E CA -0.368 56.130 56.400 0.163 0.000 0.830 6 E CB 1.913 31.784 29.700 0.284 0.000 1.081 6 E HN 0.505 8.865 8.360 -0.000 0.000 0.395 7 S N 0.839 116.625 115.700 0.144 0.000 2.900 7 S HA 0.773 5.243 4.470 0.001 0.000 0.320 7 S C 0.917 175.567 174.600 0.082 0.000 1.130 7 S CA -0.159 58.095 58.200 0.090 0.000 0.863 7 S CB 1.216 64.451 63.200 0.057 0.000 1.295 7 S HN 1.078 9.388 8.310 -0.000 0.000 0.596 8 G N -0.315 108.508 108.800 0.038 0.000 2.284 8 G HA2 -0.079 3.881 3.960 0.001 0.000 0.230 8 G HA3 -0.079 3.881 3.960 0.001 0.000 0.230 8 G C 0.878 175.763 174.900 -0.025 0.000 1.021 8 G CA 0.354 45.461 45.100 0.012 0.000 0.619 8 G HN 1.568 9.858 8.290 -0.000 0.000 0.510 9 G N -0.144 108.641 108.800 -0.025 0.000 2.680 9 G HA2 0.583 4.543 3.960 0.001 0.000 0.274 9 G HA3 0.583 4.543 3.960 0.001 0.000 0.274 9 G C 1.093 175.964 174.900 -0.049 0.000 1.292 9 G CA 1.914 46.989 45.100 -0.042 0.000 1.007 9 G HN 2.171 10.461 8.290 -0.000 0.000 0.578 10 G N -1.884 106.887 108.800 -0.049 0.000 2.236 10 G HA2 0.327 4.287 3.960 0.001 0.000 0.231 10 G HA3 0.327 4.287 3.960 0.001 0.000 0.231 10 G C -1.201 173.678 174.900 -0.035 0.000 1.334 10 G CA -0.116 44.947 45.100 -0.061 0.000 1.137 10 G HN 1.390 9.680 8.290 -0.000 0.000 0.482 11 L N 1.163 122.383 121.223 -0.006 0.000 2.305 11 L HA 0.741 5.082 4.340 0.001 0.000 0.281 11 L C 0.433 177.332 176.870 0.048 0.000 1.085 11 L CA -0.573 54.295 54.840 0.047 0.000 0.813 11 L CB 1.205 43.340 42.059 0.126 0.000 1.157 11 L HN 1.493 9.723 8.230 -0.000 0.000 0.436 12 V N 2.339 122.286 119.914 0.054 0.000 2.686 12 V HA 0.543 4.663 4.120 0.001 0.000 0.306 12 V C -0.446 175.678 176.094 0.049 0.000 1.065 12 V CA -0.909 61.411 62.300 0.035 0.000 0.894 12 V CB 1.432 33.257 31.823 0.004 0.000 1.004 12 V HN 0.798 8.988 8.190 -0.000 0.000 0.424 13 Q N 3.664 123.487 119.800 0.038 0.000 2.352 13 Q HA 0.326 4.667 4.340 0.001 0.000 0.260 13 Q C -2.393 173.620 176.000 0.022 0.000 0.976 13 Q CA -1.439 54.386 55.803 0.036 0.000 0.881 13 Q CB 0.843 29.596 28.738 0.025 0.000 1.235 13 Q HN 0.561 8.831 8.270 -0.000 0.000 0.419 14 P HA -0.118 4.302 4.420 -0.000 0.000 0.265 14 P C 0.561 177.860 177.300 -0.001 0.000 1.187 14 P CA 1.195 64.303 63.100 0.014 0.000 0.766 14 P CB 0.354 32.064 31.700 0.016 0.000 0.820 15 G N 1.389 110.182 108.800 -0.012 0.000 2.205 15 G HA2 -0.189 3.772 3.960 0.001 0.000 0.261 15 G HA3 -0.189 3.772 3.960 0.001 0.000 0.261 15 G C 0.671 175.554 174.900 -0.029 0.000 0.980 15 G CA 0.007 45.093 45.100 -0.024 0.000 0.632 15 G HN 0.899 9.189 8.290 -0.000 0.000 0.533 16 G N -0.342 108.445 108.800 -0.022 0.000 2.557 16 G HA2 0.705 4.666 3.960 0.001 0.000 0.292 16 G HA3 0.705 4.666 3.960 0.001 0.000 0.292 16 G C 0.223 175.098 174.900 -0.041 0.000 1.237 16 G CA 0.828 45.912 45.100 -0.027 0.000 0.978 16 G HN 1.690 9.980 8.290 -0.000 0.000 0.498 17 S N -1.094 114.579 115.700 -0.045 0.000 2.536 17 S HA 0.740 5.211 4.470 0.001 0.000 0.287 17 S C -0.658 173.905 174.600 -0.062 0.000 1.101 17 S CA -0.777 57.386 58.200 -0.061 0.000 0.950 17 S CB 1.537 64.698 63.200 -0.064 0.000 1.056 17 S HN 1.256 9.566 8.310 -0.000 0.000 0.481 18 L N -0.429 120.743 121.223 -0.084 0.000 2.393 18 L HA 0.768 5.109 4.340 0.001 0.000 0.260 18 L C -1.007 175.793 176.870 -0.116 0.000 1.002 18 L CA -1.035 53.750 54.840 -0.091 0.000 0.818 18 L CB 2.086 44.084 42.059 -0.100 0.000 1.369 18 L HN 0.806 9.036 8.230 -0.000 0.000 0.412 19 K N 3.205 123.551 120.400 -0.090 0.000 2.367 19 K HA 0.585 4.905 4.320 0.001 0.000 0.263 19 K C -1.247 175.321 176.600 -0.053 0.000 1.000 19 K CA -0.562 55.680 56.287 -0.075 0.000 0.891 19 K CB 1.142 33.617 32.500 -0.041 0.000 1.117 19 K HN 0.728 8.977 8.250 -0.000 0.000 0.443 20 L N 2.479 123.615 121.223 -0.145 0.000 2.395 20 L HA 0.322 4.663 4.340 0.001 0.000 0.269 20 L C 0.101 177.070 176.870 0.166 0.000 1.133 20 L CA -0.443 54.335 54.840 -0.103 0.000 0.812 20 L CB 1.675 43.471 42.059 -0.437 0.000 1.125 20 L HN 0.639 8.869 8.230 -0.000 0.000 0.452 21 S N 0.449 116.312 115.700 0.272 0.000 2.638 21 S HA 0.535 5.005 4.470 0.001 0.000 0.302 21 S C -1.148 173.624 174.600 0.286 0.000 1.096 21 S CA -0.559 57.811 58.200 0.283 0.000 0.953 21 S CB 2.132 65.450 63.200 0.196 0.000 1.107 21 S HN 0.720 9.030 8.310 -0.000 0.000 0.503 22 c N 2.730 121.372 118.600 0.070 0.000 2.781 22 c HA 0.751 5.322 4.570 0.001 0.000 0.348 22 c C -0.074 173.936 174.090 -0.133 0.000 1.051 22 c CA -0.554 55.763 56.329 -0.021 0.000 1.347 22 c CB -1.129 41.267 42.510 -0.191 0.000 1.846 22 c HN 0.954 9.184 8.230 -0.000 0.000 0.473 23 A N 4.593 127.360 122.820 -0.088 0.000 2.354 23 A HA 0.720 5.041 4.320 0.001 0.000 0.281 23 A C 0.482 178.009 177.584 -0.095 0.000 1.174 23 A CA 0.403 52.363 52.037 -0.128 0.000 0.828 23 A CB 0.320 19.277 19.000 -0.071 0.000 1.099 23 A HN 1.805 9.955 8.150 -0.000 0.000 0.516 24 A N 2.719 125.432 122.820 -0.178 0.000 2.312 24 A HA 0.867 5.187 4.320 0.001 0.000 0.328 24 A C 0.247 177.794 177.584 -0.061 0.000 1.158 24 A CA 0.157 52.173 52.037 -0.035 0.000 0.821 24 A CB 0.732 19.707 19.000 -0.041 0.000 1.170 24 A HN 2.216 10.366 8.150 -0.000 0.000 0.490 25 S N -0.413 115.360 115.700 0.121 0.000 2.558 25 S HA 0.628 5.099 4.470 0.001 0.000 0.277 25 S C 0.103 174.857 174.600 0.256 0.000 1.143 25 S CA 0.232 58.477 58.200 0.075 0.000 0.865 25 S CB 0.869 64.090 63.200 0.034 0.000 1.102 25 S HN 2.668 10.979 8.310 -0.000 0.000 0.454 26 G N 0.627 109.545 108.800 0.196 0.000 2.134 26 G HA2 0.152 4.113 3.960 0.001 0.000 0.209 26 G HA3 0.152 4.113 3.960 0.001 0.000 0.209 26 G C -0.259 174.886 174.900 0.408 0.000 0.993 26 G CA 0.501 45.746 45.100 0.241 0.000 0.669 26 G HN 2.184 10.474 8.290 -0.000 0.000 0.519 27 F N -2.321 117.660 119.950 0.051 0.000 2.878 27 F HA 0.623 5.150 4.527 0.000 0.000 0.322 27 F C -1.154 174.737 175.800 0.152 0.000 1.154 27 F CA -1.952 56.107 58.000 0.098 0.000 0.896 27 F CB 0.415 39.471 39.000 0.092 0.000 1.313 27 F HN -0.015 8.285 8.300 -0.000 0.000 0.451 28 D N 1.620 122.105 120.400 0.141 0.000 2.344 28 D HA 0.066 4.707 4.640 0.001 0.000 0.253 28 D C 0.769 177.044 176.300 -0.042 0.000 1.255 28 D CA 0.174 54.190 54.000 0.027 0.000 0.894 28 D CB 0.117 40.981 40.800 0.106 0.000 1.067 28 D HN 0.597 8.967 8.370 -0.000 0.000 0.492 29 Y N 3.349 123.392 120.300 -0.428 0.000 2.193 29 Y HA -0.212 4.339 4.550 0.001 0.000 0.285 29 Y C 1.047 176.948 175.900 0.002 0.000 1.166 29 Y CA 1.072 58.941 58.100 -0.385 0.000 1.181 29 Y CB -0.215 38.051 38.460 -0.323 0.000 0.976 29 Y HN 0.252 8.532 8.280 -0.000 0.000 0.520 30 S N 0.061 115.753 115.700 -0.013 0.000 2.632 30 S HA 0.110 4.581 4.470 0.001 0.000 0.254 30 S C 0.823 175.425 174.600 0.003 0.000 1.291 30 S CA -0.009 58.158 58.200 -0.055 0.000 0.974 30 S CB 0.484 63.677 63.200 -0.012 0.000 1.016 30 S HN 0.361 8.671 8.310 -0.000 0.000 0.579 31 R N -1.810 118.674 120.500 -0.027 0.000 4.021 31 R HA -0.204 4.137 4.340 0.001 0.000 0.448 31 R C -0.910 175.366 176.300 -0.039 0.000 0.916 31 R CA 1.652 57.723 56.100 -0.048 0.000 1.618 31 R CB -1.925 28.302 30.300 -0.121 0.000 2.271 31 R HN 0.700 8.970 8.270 -0.000 0.000 0.507 32 Y N -0.934 119.433 120.300 0.112 0.000 2.352 32 Y HA 0.297 4.847 4.550 0.000 0.000 0.339 32 Y C 0.255 176.227 175.900 0.120 0.000 0.992 32 Y CA -1.114 57.114 58.100 0.214 0.000 1.100 32 Y CB 1.068 39.684 38.460 0.260 0.000 1.192 32 Y HN -0.094 8.186 8.280 -0.000 0.000 0.458 33 W N 5.405 126.884 121.300 0.297 0.000 2.345 33 W HA 0.341 5.001 4.660 0.000 0.000 0.308 33 W C -0.652 175.923 176.519 0.093 0.000 1.273 33 W CA -0.587 56.828 57.345 0.117 0.000 1.243 33 W CB 0.498 29.994 29.460 0.060 0.000 1.260 33 W HN 0.204 8.384 8.180 -0.000 0.000 0.509 34 M N 3.018 122.715 119.600 0.161 0.000 2.318 34 M HA 0.385 4.866 4.480 0.001 0.000 0.347 34 M C 0.034 176.398 176.300 0.108 0.000 1.175 34 M CA -0.570 54.777 55.300 0.078 0.000 1.075 34 M CB 1.420 34.013 32.600 -0.012 0.000 1.614 34 M HN 0.308 8.598 8.290 -0.000 0.000 0.456 35 S N 1.296 117.030 115.700 0.057 0.000 2.564 35 S HA 0.754 5.224 4.470 0.001 0.000 0.274 35 S C -2.192 172.438 174.600 0.051 0.000 1.124 35 S CA -0.595 57.727 58.200 0.203 0.000 0.869 35 S CB 1.101 64.597 63.200 0.492 0.000 1.105 35 S HN 0.594 8.904 8.310 -0.000 0.000 0.472 36 W N 1.956 123.346 121.300 0.149 0.000 2.606 36 W HA 0.738 5.399 4.660 0.001 0.000 0.332 36 W C -0.801 175.739 176.519 0.036 0.000 1.052 36 W CA -0.461 56.934 57.345 0.083 0.000 1.223 36 W CB 1.814 31.282 29.460 0.012 0.000 1.383 36 W HN 0.452 8.632 8.180 -0.000 0.000 0.524 37 V N 3.157 123.295 119.914 0.372 0.000 3.049 37 V HA 0.634 4.754 4.120 0.001 0.000 0.309 37 V C -0.507 175.722 176.094 0.225 0.000 1.148 37 V CA -1.378 61.053 62.300 0.218 0.000 0.990 37 V CB 2.235 34.110 31.823 0.086 0.000 1.039 37 V HN 0.598 8.788 8.190 -0.000 0.000 0.430 38 R N 2.406 122.928 120.500 0.037 0.000 2.771 38 R HA 0.796 5.137 4.340 0.001 0.000 0.274 38 R C -1.335 174.909 176.300 -0.092 0.000 0.987 38 R CA -0.892 55.073 56.100 -0.226 0.000 0.908 38 R CB 2.467 32.311 30.300 -0.761 0.000 1.213 38 R HN 0.668 8.938 8.270 -0.000 0.000 0.468 39 Q N 1.975 121.679 119.800 -0.159 0.000 2.309 39 Q HA 0.516 4.857 4.340 0.001 0.000 0.270 39 Q C -1.359 174.578 176.000 -0.105 0.000 1.023 39 Q CA -0.621 55.152 55.803 -0.050 0.000 0.758 39 Q CB 2.192 30.965 28.738 0.058 0.000 1.247 39 Q HN 0.820 9.090 8.270 -0.000 0.000 0.455 40 A N 5.131 127.916 122.820 -0.058 0.000 2.388 40 A HA 0.503 4.823 4.320 0.001 0.000 0.257 40 A C -2.303 175.273 177.584 -0.014 0.000 1.095 40 A CA -1.329 50.686 52.037 -0.037 0.000 0.791 40 A CB -0.056 18.942 19.000 -0.004 0.000 1.029 40 A HN 0.620 8.770 8.150 -0.000 0.000 0.489 41 P HA 0.044 4.464 4.420 -0.000 0.000 0.257 41 P C 1.115 178.425 177.300 0.018 0.000 1.153 41 P CA 2.351 65.456 63.100 0.008 0.000 0.762 41 P CB 0.207 31.924 31.700 0.029 0.000 0.743 42 G N 2.061 110.870 108.800 0.015 0.000 2.196 42 G HA2 -0.309 3.652 3.960 0.001 0.000 0.268 42 G HA3 -0.309 3.652 3.960 0.001 0.000 0.268 42 G C 0.326 175.237 174.900 0.018 0.000 0.975 42 G CA 0.446 45.557 45.100 0.018 0.000 0.648 42 G HN 0.533 8.823 8.290 -0.000 0.000 0.538 43 K N -0.379 120.031 120.400 0.017 0.000 2.354 43 K HA 0.625 4.946 4.320 0.001 0.000 0.238 43 K C 1.331 177.945 176.600 0.024 0.000 1.068 43 K CA -0.452 55.848 56.287 0.021 0.000 0.925 43 K CB 0.909 33.423 32.500 0.024 0.000 1.286 43 K HN 0.187 8.437 8.250 -0.000 0.000 0.500 44 G N 0.239 109.058 108.800 0.031 0.000 2.489 44 G HA2 0.311 4.271 3.960 0.001 0.000 0.271 44 G HA3 0.311 4.271 3.960 0.001 0.000 0.271 44 G C -0.522 174.411 174.900 0.055 0.000 1.427 44 G CA -0.624 44.499 45.100 0.038 0.000 1.057 44 G HN 0.306 8.596 8.290 -0.000 0.000 0.532 45 L N 0.095 121.361 121.223 0.071 0.000 2.322 45 L HA 0.505 4.846 4.340 0.001 0.000 0.279 45 L C -0.252 176.684 176.870 0.110 0.000 1.036 45 L CA -0.736 54.169 54.840 0.109 0.000 0.807 45 L CB 1.617 43.755 42.059 0.131 0.000 1.226 45 L HN 0.188 8.418 8.230 -0.000 0.000 0.433 46 K N 2.403 122.871 120.400 0.113 0.000 2.541 46 K HA 0.181 4.502 4.320 0.001 0.000 0.250 46 K C -1.316 175.378 176.600 0.158 0.000 0.950 46 K CA -0.548 55.818 56.287 0.131 0.000 0.805 46 K CB 2.200 34.754 32.500 0.091 0.000 1.166 46 K HN 0.456 8.706 8.250 -0.000 0.000 0.430 47 W N 5.443 126.766 121.300 0.038 0.000 2.210 47 W HA 0.054 4.714 4.660 0.001 0.000 0.330 47 W C 0.359 176.911 176.519 0.055 0.000 1.334 47 W CA -0.186 57.197 57.345 0.064 0.000 1.227 47 W CB 0.401 29.958 29.460 0.161 0.000 1.178 47 W HN 0.527 8.707 8.180 -0.000 0.000 0.560 48 I N 4.166 124.352 120.570 -0.640 0.000 2.685 48 I HA 0.385 4.555 4.170 0.001 0.000 0.251 48 I C 1.291 176.668 176.117 -1.234 0.000 1.102 48 I CA 1.185 61.998 61.300 -0.812 0.000 1.442 48 I CB -1.269 36.346 38.000 -0.642 0.000 1.194 48 I HN 0.542 8.752 8.210 -0.000 0.000 0.448 49 G N 0.949 108.909 108.800 -1.399 0.000 2.451 49 G HA2 0.449 4.409 3.960 0.001 0.000 0.292 49 G HA3 0.449 4.409 3.960 0.001 0.000 0.292 49 G C -1.590 173.230 174.900 -0.133 0.000 1.427 49 G CA -0.487 43.905 45.100 -1.181 0.000 0.792 49 G HN 0.197 8.487 8.290 -0.000 0.000 0.498 50 E N -1.035 119.300 120.200 0.225 0.000 2.393 50 E HA 0.759 5.110 4.350 0.001 0.000 0.273 50 E C -1.660 175.038 176.600 0.163 0.000 0.918 50 E CA -1.084 55.545 56.400 0.382 0.000 0.773 50 E CB 3.012 33.066 29.700 0.589 0.000 1.275 50 E HN 0.704 9.064 8.360 -0.000 0.000 0.451 51 I N 2.721 123.358 120.570 0.112 0.000 2.548 51 I HA 0.248 4.418 4.170 0.001 0.000 0.287 51 I C -1.051 174.824 176.117 -0.404 0.000 1.103 51 I CA -0.856 60.380 61.300 -0.106 0.000 1.049 51 I CB 1.557 39.532 38.000 -0.042 0.000 1.232 51 I HN 0.745 8.955 8.210 -0.000 0.000 0.429 52 N N 7.569 125.686 118.700 -0.972 0.000 2.288 52 N HA 0.307 5.047 4.740 0.001 0.000 0.237 52 N C -2.353 172.682 175.510 -0.792 0.000 1.311 52 N CA -1.428 50.605 53.050 -1.695 0.000 0.909 52 N CB -0.330 36.951 38.487 -2.009 0.000 1.167 52 N HN 0.269 8.649 8.380 -0.000 0.000 0.476 53 P HA -0.159 4.261 4.420 -0.000 0.000 0.216 53 P C 1.101 178.262 177.300 -0.231 0.000 1.153 53 P CA 1.819 64.714 63.100 -0.343 0.000 0.858 53 P CB 0.053 31.615 31.700 -0.230 0.000 0.789 54 V N -5.796 113.982 119.914 -0.226 0.000 3.633 54 V HA 0.245 4.365 4.120 0.001 0.000 0.283 54 V C 0.611 176.634 176.094 -0.119 0.000 1.305 54 V CA 0.464 62.685 62.300 -0.132 0.000 1.153 54 V CB -1.080 30.683 31.823 -0.099 0.000 0.950 54 V HN 0.092 8.282 8.190 -0.000 0.000 0.432 55 S N 0.438 116.035 115.700 -0.171 0.000 3.261 55 S HA -0.241 4.229 4.470 0.001 0.000 0.287 55 S C 1.410 175.952 174.600 -0.097 0.000 1.281 55 S CA 1.306 59.437 58.200 -0.115 0.000 1.053 55 S CB -2.183 60.997 63.200 -0.034 0.000 1.251 55 S HN 1.312 9.622 8.310 -0.000 0.000 0.659 56 S N -0.723 114.900 115.700 -0.128 0.000 2.489 56 S HA 0.199 4.669 4.470 0.001 0.000 0.228 56 S C 0.619 175.177 174.600 -0.071 0.000 0.995 56 S CA 0.621 58.773 58.200 -0.080 0.000 0.934 56 S CB 0.146 63.303 63.200 -0.073 0.000 0.771 56 S HN 0.489 8.799 8.310 -0.000 0.000 0.522 57 T N 2.030 116.503 114.554 -0.135 0.000 2.881 57 T HA 0.659 5.009 4.350 0.001 0.000 0.290 57 T C -0.959 173.690 174.700 -0.084 0.000 1.000 57 T CA -0.500 61.557 62.100 -0.071 0.000 0.978 57 T CB 1.445 70.300 68.868 -0.022 0.000 0.997 57 T HN 0.229 8.469 8.240 -0.000 0.000 0.443 58 I N 3.764 124.337 120.570 0.005 0.000 2.540 58 I HA 0.312 4.483 4.170 0.001 0.000 0.280 58 I C -0.899 175.187 176.117 -0.052 0.000 1.083 58 I CA -0.901 60.370 61.300 -0.049 0.000 1.080 58 I CB 1.505 39.494 38.000 -0.018 0.000 1.205 58 I HN 0.435 8.645 8.210 -0.000 0.000 0.459 59 N N 4.834 123.519 118.700 -0.026 0.000 2.489 59 N HA 0.675 5.416 4.740 0.001 0.000 0.284 59 N C -1.192 174.189 175.510 -0.215 0.000 1.158 59 N CA -0.339 52.776 53.050 0.109 0.000 0.965 59 N CB 1.134 39.837 38.487 0.360 0.000 1.195 59 N HN 0.284 8.664 8.380 -0.000 0.000 0.506 60 Y N -1.722 118.639 120.300 0.103 0.000 2.638 60 Y HA 0.416 4.966 4.550 0.001 0.000 0.339 60 Y C 0.683 176.533 175.900 -0.084 0.000 1.084 60 Y CA -0.990 57.005 58.100 -0.174 0.000 1.068 60 Y CB 1.163 39.631 38.460 0.012 0.000 1.294 60 Y HN 0.323 8.603 8.280 -0.000 0.000 0.480 61 T N 1.998 116.532 114.554 -0.034 0.000 2.868 61 T HA 0.296 4.646 4.350 0.001 0.000 0.292 61 T C -2.639 172.210 174.700 0.249 0.000 1.028 61 T CA -1.669 60.544 62.100 0.189 0.000 1.059 61 T CB 0.300 69.239 68.868 0.118 0.000 0.991 61 T HN 0.232 8.472 8.240 -0.000 0.000 0.531 62 P HA 0.107 4.527 4.420 -0.000 0.000 0.254 62 P C -0.382 177.015 177.300 0.160 0.000 1.186 62 P CA 0.077 63.282 63.100 0.175 0.000 0.868 62 P CB 0.159 31.947 31.700 0.147 0.000 0.856 63 S N 3.341 119.122 115.700 0.136 0.000 4.422 63 S HA 0.543 5.014 4.470 0.001 0.000 0.210 63 S C 0.260 174.844 174.600 -0.025 0.000 1.082 63 S CA -0.395 57.847 58.200 0.069 0.000 1.813 63 S CB 0.445 63.707 63.200 0.103 0.000 0.877 63 S HN 0.200 8.510 8.310 -0.000 0.000 0.755 64 L N -0.294 120.861 121.223 -0.114 0.000 3.232 64 L HA 0.447 4.787 4.340 0.001 0.000 0.222 64 L C 1.488 178.281 176.870 -0.129 0.000 1.515 64 L CA -0.602 54.173 54.840 -0.107 0.000 2.255 64 L CB -0.245 41.748 42.059 -0.110 0.000 2.182 64 L HN 0.399 8.629 8.230 -0.000 0.000 0.747 65 K N 0.305 120.618 120.400 -0.145 0.000 2.004 65 K HA -0.015 4.306 4.320 0.001 0.000 0.217 65 K C -0.118 176.377 176.600 -0.175 0.000 1.026 65 K CA 0.950 57.159 56.287 -0.131 0.000 0.979 65 K CB -0.010 32.422 32.500 -0.112 0.000 0.818 65 K HN 0.261 8.511 8.250 -0.000 0.000 0.447 66 D N 0.358 120.646 120.400 -0.186 0.000 2.788 66 D HA 0.061 4.702 4.640 0.001 0.000 0.289 66 D C 0.712 176.860 176.300 -0.254 0.000 1.340 66 D CA 0.028 53.907 54.000 -0.202 0.000 0.831 66 D CB 0.909 41.632 40.800 -0.129 0.000 1.103 66 D HN 0.054 8.424 8.370 -0.000 0.000 0.476 67 K N 0.251 120.443 120.400 -0.347 0.000 2.034 67 K HA -0.114 4.207 4.320 0.001 0.000 0.214 67 K C -0.054 176.171 176.600 -0.624 0.000 1.051 67 K CA 1.371 57.333 56.287 -0.542 0.000 0.931 67 K CB -0.101 31.971 32.500 -0.714 0.000 0.715 67 K HN 0.089 8.339 8.250 -0.000 0.000 0.446 68 F N -0.392 119.420 119.950 -0.231 0.000 2.508 68 F HA 0.478 5.006 4.527 0.001 0.000 0.325 68 F C -0.113 175.590 175.800 -0.162 0.000 1.090 68 F CA -1.135 56.775 58.000 -0.151 0.000 0.945 68 F CB 1.684 40.681 39.000 -0.005 0.000 1.156 68 F HN -0.262 8.038 8.300 -0.000 0.000 0.463 69 I N 4.788 125.495 120.570 0.228 0.000 2.641 69 I HA 0.281 4.451 4.170 0.001 0.000 0.275 69 I C -0.845 175.445 176.117 0.288 0.000 1.129 69 I CA -0.202 61.236 61.300 0.230 0.000 1.094 69 I CB 0.977 39.027 38.000 0.084 0.000 1.232 69 I HN 0.474 8.684 8.210 -0.000 0.000 0.503 70 I N 4.951 125.782 120.570 0.435 0.000 2.379 70 I HA 0.162 4.332 4.170 0.001 0.000 0.290 70 I C 0.742 177.017 176.117 0.264 0.000 1.063 70 I CA 0.408 61.885 61.300 0.295 0.000 1.351 70 I CB 0.845 38.952 38.000 0.177 0.000 1.410 70 I HN 0.559 8.769 8.210 -0.000 0.000 0.505 71 S N 6.997 122.884 115.700 0.311 0.000 2.810 71 S HA 0.935 5.406 4.470 0.001 0.000 0.315 71 S C -0.556 174.268 174.600 0.372 0.000 1.138 71 S CA -0.988 57.381 58.200 0.281 0.000 0.889 71 S CB 2.479 65.818 63.200 0.231 0.000 1.236 71 S HN 0.756 9.066 8.310 -0.000 0.000 0.548 72 R N -0.789 119.918 120.500 0.345 0.000 2.664 72 R HA 0.666 5.006 4.340 0.001 0.000 0.266 72 R C -2.536 173.957 176.300 0.322 0.000 1.046 72 R CA -0.648 55.658 56.100 0.344 0.000 0.885 72 R CB 0.992 31.448 30.300 0.261 0.000 1.254 72 R HN 0.542 8.812 8.270 -0.000 0.000 0.465 73 D N 0.889 121.466 120.400 0.295 0.000 2.378 73 D HA 0.260 4.900 4.640 0.001 0.000 0.265 73 D C -0.348 176.043 176.300 0.150 0.000 1.229 73 D CA -0.574 53.561 54.000 0.224 0.000 0.914 73 D CB 0.841 41.811 40.800 0.283 0.000 1.140 73 D HN 0.579 8.949 8.370 -0.000 0.000 0.516 74 N N 1.686 120.520 118.700 0.223 0.000 2.417 74 N HA -0.158 4.583 4.740 0.001 0.000 0.187 74 N C 1.536 177.102 175.510 0.094 0.000 1.027 74 N CA 0.988 54.200 53.050 0.270 0.000 0.891 74 N CB 0.091 38.702 38.487 0.207 0.000 0.956 74 N HN 0.516 8.896 8.380 -0.000 0.000 0.442 75 A N 0.492 123.346 122.820 0.057 0.000 2.066 75 A HA -0.027 4.293 4.320 0.001 0.000 0.218 75 A C 1.877 179.450 177.584 -0.018 0.000 1.157 75 A CA 1.081 53.130 52.037 0.021 0.000 0.670 75 A CB 0.024 19.043 19.000 0.031 0.000 0.804 75 A HN 0.187 8.337 8.150 -0.000 0.000 0.453 76 K N -1.031 119.341 120.400 -0.048 0.000 2.374 76 K HA 0.152 4.473 4.320 0.001 0.000 0.202 76 K C -0.697 175.746 176.600 -0.260 0.000 1.040 76 K CA 0.280 56.508 56.287 -0.098 0.000 1.085 76 K CB 0.475 32.955 32.500 -0.032 0.000 0.873 76 K HN 0.279 8.529 8.250 -0.000 0.000 0.539 77 D N 1.213 121.376 120.400 -0.395 0.000 2.811 77 D HA -0.142 4.499 4.640 0.001 0.000 0.231 77 D C -0.978 174.595 176.300 -1.211 0.000 1.157 77 D CA 1.292 54.719 54.000 -0.954 0.000 0.716 77 D CB -0.908 39.552 40.800 -0.567 0.000 1.077 77 D HN 0.116 8.486 8.370 -0.000 0.000 0.428 78 T N 0.023 114.083 114.554 -0.824 0.000 2.829 78 T HA 0.599 4.950 4.350 0.001 0.000 0.280 78 T C -0.203 174.170 174.700 -0.546 0.000 0.999 78 T CA -0.779 60.930 62.100 -0.651 0.000 0.983 78 T CB 2.067 70.607 68.868 -0.547 0.000 0.968 78 T HN 0.095 8.335 8.240 -0.000 0.000 0.446 79 L N 3.125 124.123 121.223 -0.375 0.000 2.344 79 L HA 0.700 5.040 4.340 0.001 0.000 0.272 79 L C -1.637 175.150 176.870 -0.138 0.000 1.035 79 L CA -0.644 54.151 54.840 -0.074 0.000 0.807 79 L CB 0.701 42.764 42.059 0.007 0.000 1.237 79 L HN 0.664 8.894 8.230 -0.000 0.000 0.442 80 Y N 3.875 124.461 120.300 0.477 0.000 2.553 80 Y HA 0.686 5.237 4.550 0.001 0.000 0.347 80 Y C -1.057 175.040 175.900 0.328 0.000 1.019 80 Y CA -0.936 57.400 58.100 0.394 0.000 1.032 80 Y CB 2.056 40.629 38.460 0.188 0.000 1.284 80 Y HN 0.500 8.780 8.280 -0.000 0.000 0.466 81 L N 2.812 124.077 121.223 0.070 0.000 2.491 81 L HA 0.456 4.796 4.340 0.001 0.000 0.267 81 L C -1.491 175.228 176.870 -0.252 0.000 0.971 81 L CA -0.494 54.110 54.840 -0.394 0.000 0.857 81 L CB 1.686 42.832 42.059 -1.522 0.000 1.226 81 L HN 0.656 8.886 8.230 -0.000 0.000 0.408 82 Q N 5.294 125.045 119.800 -0.082 0.000 2.257 82 Q HA 0.659 4.999 4.340 0.001 0.000 0.255 82 Q C -1.004 174.967 176.000 -0.048 0.000 0.920 82 Q CA -0.329 55.431 55.803 -0.072 0.000 0.927 82 Q CB 2.409 31.127 28.738 -0.033 0.000 1.229 82 Q HN 0.603 8.873 8.270 -0.000 0.000 0.433 83 I N 0.858 121.373 120.570 -0.091 0.000 2.474 83 I HA 0.435 4.605 4.170 0.001 0.000 0.294 83 I C -0.171 175.881 176.117 -0.108 0.000 1.005 83 I CA -0.554 60.706 61.300 -0.068 0.000 1.113 83 I CB 2.108 40.067 38.000 -0.069 0.000 1.289 83 I HN 0.473 8.683 8.210 -0.000 0.000 0.436 84 S N 3.366 118.976 115.700 -0.150 0.000 2.634 84 S HA 0.422 4.892 4.470 0.001 0.000 0.296 84 S C -0.598 173.920 174.600 -0.137 0.000 1.104 84 S CA -0.710 57.411 58.200 -0.130 0.000 0.920 84 S CB 1.464 64.586 63.200 -0.130 0.000 1.111 84 S HN 0.544 8.854 8.310 -0.000 0.000 0.493 85 K N 0.320 120.661 120.400 -0.099 0.000 3.311 85 K HA -0.122 4.198 4.320 0.001 0.000 0.270 85 K C -0.520 176.033 176.600 -0.080 0.000 0.927 85 K CA 0.181 56.417 56.287 -0.084 0.000 0.706 85 K CB -2.785 29.656 32.500 -0.097 0.000 1.418 85 K HN 0.412 8.662 8.250 -0.000 0.000 0.459 86 V N 1.530 121.407 119.914 -0.061 0.000 2.599 86 V HA -0.001 4.120 4.120 0.001 0.000 0.300 86 V C 1.379 177.465 176.094 -0.012 0.000 1.034 86 V CA 0.378 62.657 62.300 -0.035 0.000 1.115 86 V CB 0.204 32.016 31.823 -0.019 0.000 0.934 86 V HN 0.513 8.703 8.190 -0.000 0.000 0.485 87 R N 2.648 123.149 120.500 0.001 0.000 2.888 87 R HA 0.523 4.863 4.340 0.001 0.000 0.266 87 R C 1.334 177.658 176.300 0.040 0.000 1.020 87 R CA -0.052 56.056 56.100 0.014 0.000 0.963 87 R CB 1.274 31.575 30.300 0.002 0.000 1.197 87 R HN 0.555 8.825 8.270 -0.000 0.000 0.481 88 S N 0.332 116.058 115.700 0.044 0.000 2.413 88 S HA -0.272 4.198 4.470 0.001 0.000 0.237 88 S C 1.100 175.740 174.600 0.067 0.000 1.044 88 S CA 1.943 60.179 58.200 0.059 0.000 1.024 88 S CB -0.451 62.781 63.200 0.052 0.000 0.829 88 S HN 0.757 9.067 8.310 -0.000 0.000 0.475 89 E N 1.592 121.829 120.200 0.062 0.000 2.267 89 E HA -0.053 4.298 4.350 0.001 0.000 0.197 89 E C 1.279 177.942 176.600 0.106 0.000 0.998 89 E CA 1.207 57.650 56.400 0.072 0.000 0.830 89 E CB -0.333 29.406 29.700 0.065 0.000 0.751 89 E HN 0.675 9.035 8.360 -0.000 0.000 0.491 90 D N -0.399 120.077 120.400 0.126 0.000 2.340 90 D HA -0.009 4.632 4.640 0.001 0.000 0.220 90 D C -0.064 176.376 176.300 0.232 0.000 1.039 90 D CA 0.378 54.507 54.000 0.215 0.000 0.866 90 D CB 0.081 40.993 40.800 0.186 0.000 0.913 90 D HN -0.014 8.356 8.370 -0.000 0.000 0.523 91 T N 1.325 115.964 114.554 0.142 0.000 2.752 91 T HA 0.509 4.859 4.350 0.001 0.000 0.295 91 T C 0.069 174.813 174.700 0.074 0.000 0.923 91 T CA -0.031 62.143 62.100 0.123 0.000 1.112 91 T CB 0.729 69.653 68.868 0.094 0.000 0.884 91 T HN 0.169 8.409 8.240 -0.000 0.000 0.525 92 A N 3.578 126.438 122.820 0.065 0.000 2.415 92 A HA 0.582 4.903 4.320 0.001 0.000 0.294 92 A C -1.961 175.541 177.584 -0.137 0.000 1.019 92 A CA -0.890 51.088 52.037 -0.099 0.000 0.603 92 A CB 0.472 19.316 19.000 -0.261 0.000 1.382 92 A HN 0.660 8.810 8.150 -0.000 0.000 0.483 93 L N 0.720 121.788 121.223 -0.258 0.000 2.276 93 L HA 0.689 5.030 4.340 0.001 0.000 0.286 93 L C -1.399 175.181 176.870 -0.482 0.000 1.061 93 L CA -0.078 54.580 54.840 -0.303 0.000 0.807 93 L CB 0.152 41.969 42.059 -0.404 0.000 1.177 93 L HN 0.515 8.745 8.230 -0.000 0.000 0.429 94 Y N 5.190 125.381 120.300 -0.182 0.000 2.335 94 Y HA 0.449 4.999 4.550 0.001 0.000 0.339 94 Y C -0.884 175.114 175.900 0.164 0.000 0.987 94 Y CA -0.039 58.075 58.100 0.023 0.000 1.140 94 Y CB 0.916 39.414 38.460 0.063 0.000 1.173 94 Y HN 0.451 8.731 8.280 -0.000 0.000 0.486 95 Y N 2.255 122.830 120.300 0.457 0.000 2.352 95 Y HA 0.459 5.010 4.550 0.001 0.000 0.339 95 Y C 0.235 176.274 175.900 0.233 0.000 0.992 95 Y CA -1.644 56.682 58.100 0.377 0.000 1.100 95 Y CB 0.937 39.669 38.460 0.454 0.000 1.192 95 Y HN 0.638 8.918 8.280 -0.000 0.000 0.458 96 c N 0.963 119.599 118.600 0.060 0.000 2.405 96 c HA 0.994 5.565 4.570 0.001 0.000 0.365 96 c C 0.167 174.154 174.090 -0.171 0.000 1.233 96 c CA -0.873 55.165 56.329 -0.485 0.000 2.230 96 c CB 0.063 42.029 42.510 -0.905 0.000 2.443 96 c HN 1.002 9.232 8.230 -0.000 0.000 0.556 97 A N 2.751 125.443 122.820 -0.213 0.000 2.488 97 A HA 0.738 5.059 4.320 0.001 0.000 0.298 97 A C -0.382 177.134 177.584 -0.113 0.000 1.044 97 A CA -0.604 51.311 52.037 -0.203 0.000 0.693 97 A CB 0.957 19.655 19.000 -0.503 0.000 1.272 97 A HN 1.068 9.218 8.150 -0.000 0.000 0.402 98 R N 2.921 123.341 120.500 -0.134 0.000 2.490 98 R HA 0.530 4.870 4.340 0.001 0.000 0.280 98 R C -1.246 175.056 176.300 0.003 0.000 1.077 98 R CA -0.136 55.897 56.100 -0.112 0.000 1.065 98 R CB 0.256 30.285 30.300 -0.452 0.000 1.003 98 R HN 0.682 8.952 8.270 -0.000 0.000 0.470 99 L N 3.917 125.258 121.223 0.196 0.000 2.334 99 L HA 0.581 4.921 4.340 0.001 0.000 0.272 99 L C -0.674 176.455 176.870 0.432 0.000 1.020 99 L CA -0.840 54.143 54.840 0.239 0.000 0.812 99 L CB 1.256 43.456 42.059 0.234 0.000 1.264 99 L HN 0.702 8.932 8.230 -0.000 0.000 0.439 100 Y N 0.925 121.179 120.300 -0.077 0.000 2.953 100 Y HA 0.527 5.078 4.550 0.002 0.000 0.321 100 Y C -1.501 173.530 175.900 -1.450 0.000 1.514 100 Y CA -0.998 56.742 58.100 -0.601 0.000 1.091 100 Y CB 1.616 39.878 38.460 -0.330 0.000 1.700 100 Y HN 0.483 8.763 8.280 -0.000 0.000 0.436 101 Y N -1.505 117.714 120.300 -1.802 0.000 2.713 101 Y HA 0.727 5.278 4.550 0.001 0.000 0.335 101 Y C -0.146 175.352 175.900 -0.670 0.000 1.222 101 Y CA -0.716 56.423 58.100 -1.601 0.000 1.061 101 Y CB 0.809 38.249 38.460 -1.699 0.000 1.314 101 Y HN 0.644 8.924 8.280 -0.000 0.000 0.453 102 G N -0.152 108.530 108.800 -0.195 0.000 2.529 102 G HA2 0.045 4.006 3.960 0.001 0.000 0.220 102 G HA3 0.045 4.006 3.960 0.001 0.000 0.220 102 G C 0.085 175.062 174.900 0.128 0.000 1.976 102 G CA -0.029 45.044 45.100 -0.045 0.000 0.789 102 G HN 0.599 8.889 8.290 -0.000 0.000 0.695 103 Y N 1.262 121.651 120.300 0.148 0.000 2.571 103 Y HA 0.236 4.787 4.550 0.001 0.000 0.294 103 Y C 2.279 178.230 175.900 0.085 0.000 1.141 103 Y CA 0.459 58.651 58.100 0.153 0.000 1.308 103 Y CB 0.147 38.733 38.460 0.212 0.000 1.002 103 Y HN 0.514 8.794 8.280 -0.000 0.000 0.551 104 G N -2.502 106.397 108.800 0.166 0.000 2.624 104 G HA2 -0.207 3.753 3.960 0.001 0.000 0.190 104 G HA3 -0.207 3.753 3.960 0.001 0.000 0.190 104 G C -0.386 174.349 174.900 -0.275 0.000 1.008 104 G CA -0.657 44.263 45.100 -0.300 0.000 0.731 104 G HN 0.150 8.440 8.290 -0.000 0.000 0.478 105 Y N 1.862 122.159 120.300 -0.004 0.000 2.640 105 Y HA 0.501 5.051 4.550 0.001 0.000 0.355 105 Y C 0.800 176.724 175.900 0.039 0.000 1.088 105 Y CA -1.373 56.764 58.100 0.062 0.000 1.443 105 Y CB -0.525 37.976 38.460 0.068 0.000 1.224 105 Y HN 0.236 8.516 8.280 -0.000 0.000 0.516 106 W N 3.716 124.888 121.300 -0.213 0.000 2.317 106 W HA 0.150 4.810 4.660 0.001 0.000 0.350 106 W C -0.052 176.332 176.519 -0.225 0.000 1.258 106 W CA -0.294 56.843 57.345 -0.348 0.000 1.336 106 W CB -0.310 28.846 29.460 -0.507 0.000 1.201 106 W HN 0.468 8.648 8.180 -0.000 0.000 0.599 107 Y N -1.430 118.869 120.300 -0.003 0.000 2.644 107 Y HA 0.653 5.203 4.550 0.001 0.000 0.338 107 Y C -1.293 174.466 175.900 -0.234 0.000 1.119 107 Y CA -3.560 54.504 58.100 -0.060 0.000 1.060 107 Y CB 0.180 38.680 38.460 0.066 0.000 1.294 107 Y HN 0.182 8.462 8.280 -0.000 0.000 0.472 108 F N 2.188 122.308 119.950 0.283 0.000 2.377 108 F HA 0.266 4.793 4.527 0.001 0.000 0.360 108 F C 1.179 177.019 175.800 0.067 0.000 1.147 108 F CA -0.388 57.581 58.000 -0.053 0.000 1.170 108 F CB 0.424 39.056 39.000 -0.615 0.000 1.339 108 F HN 0.725 9.025 8.300 -0.000 0.000 0.552 109 D N 2.142 122.717 120.400 0.292 0.000 2.120 109 D HA -0.137 4.503 4.640 0.001 0.000 0.191 109 D C 0.050 176.405 176.300 0.091 0.000 0.994 109 D CA 1.621 55.752 54.000 0.218 0.000 0.838 109 D CB 0.330 41.265 40.800 0.224 0.000 0.976 109 D HN 0.122 8.492 8.370 -0.000 0.000 0.447 110 V N -0.004 119.907 119.914 -0.004 0.000 2.588 110 V HA 0.381 4.502 4.120 0.001 0.000 0.304 110 V C -1.114 175.030 176.094 0.083 0.000 1.042 110 V CA -0.879 61.451 62.300 0.050 0.000 0.877 110 V CB 1.673 33.407 31.823 -0.148 0.000 0.996 110 V HN 0.163 8.353 8.190 -0.000 0.000 0.425 111 W N 2.087 123.331 121.300 -0.094 0.000 2.570 111 W HA 0.770 5.430 4.660 0.000 0.000 0.337 111 W C 0.771 177.255 176.519 -0.058 0.000 1.067 111 W CA -0.569 56.722 57.345 -0.091 0.000 1.229 111 W CB 1.057 30.386 29.460 -0.219 0.000 1.355 111 W HN 0.782 8.962 8.180 -0.000 0.000 0.555 112 G N 0.442 109.393 108.800 0.252 0.000 2.553 112 G HA2 0.425 4.386 3.960 0.001 0.000 0.278 112 G HA3 0.425 4.386 3.960 0.001 0.000 0.278 112 G C 0.679 175.744 174.900 0.274 0.000 1.349 112 G CA -0.066 45.152 45.100 0.197 0.000 1.037 112 G HN 0.668 8.958 8.290 -0.000 0.000 0.508 113 A N -1.778 121.178 122.820 0.228 0.000 2.021 113 A HA 0.533 4.853 4.320 0.001 0.000 0.216 113 A C 1.478 179.258 177.584 0.326 0.000 1.163 113 A CA 1.570 53.748 52.037 0.235 0.000 0.676 113 A CB -0.827 18.248 19.000 0.126 0.000 0.818 113 A HN 2.553 10.703 8.150 -0.000 0.000 0.453 114 G N -2.101 106.877 108.800 0.296 0.000 2.692 114 G HA2 0.120 4.080 3.960 0.001 0.000 0.686 114 G HA3 0.120 4.080 3.960 0.001 0.000 0.686 114 G C -0.458 174.493 174.900 0.084 0.000 1.243 114 G CA -0.397 44.792 45.100 0.148 0.000 0.782 114 G HN 0.686 8.976 8.290 -0.000 0.000 0.625 115 T N 1.456 116.081 114.554 0.117 0.000 2.885 115 T HA 0.746 5.096 4.350 0.001 0.000 0.285 115 T C 0.298 175.044 174.700 0.076 0.000 1.019 115 T CA -0.189 61.963 62.100 0.087 0.000 1.010 115 T CB 1.841 70.776 68.868 0.113 0.000 1.022 115 T HN 0.752 8.992 8.240 -0.000 0.000 0.466 116 T N 2.196 116.764 114.554 0.024 0.000 2.837 116 T HA 0.537 4.888 4.350 0.001 0.000 0.285 116 T C -0.345 174.383 174.700 0.047 0.000 0.984 116 T CA -0.458 61.657 62.100 0.025 0.000 1.049 116 T CB 0.939 69.780 68.868 -0.044 0.000 0.947 116 T HN 0.312 8.552 8.240 -0.000 0.000 0.472 117 V N 3.473 123.462 119.914 0.125 0.000 2.448 117 V HA 0.468 4.589 4.120 0.001 0.000 0.295 117 V C 0.158 176.297 176.094 0.075 0.000 1.025 117 V CA -0.587 61.766 62.300 0.088 0.000 0.859 117 V CB 1.933 33.830 31.823 0.123 0.000 0.988 117 V HN 0.939 9.129 8.190 -0.000 0.000 0.431 118 T N 4.554 119.124 114.554 0.026 0.000 2.791 118 T HA 0.423 4.774 4.350 0.001 0.000 0.288 118 T C -0.353 174.393 174.700 0.076 0.000 0.999 118 T CA -0.288 61.833 62.100 0.035 0.000 0.952 118 T CB 1.269 70.100 68.868 -0.061 0.000 0.938 118 T HN 0.369 8.609 8.240 -0.000 0.000 0.444 119 V N 3.687 123.659 119.914 0.097 0.000 2.368 119 V HA 0.714 4.834 4.120 0.001 0.000 0.266 119 V C 0.389 176.562 176.094 0.130 0.000 1.045 119 V CA -0.352 62.005 62.300 0.094 0.000 0.899 119 V CB 0.620 32.488 31.823 0.076 0.000 1.006 119 V HN 0.868 9.058 8.190 -0.000 0.000 0.470 120 S N 2.973 118.761 115.700 0.146 0.000 2.587 120 S HA 0.417 4.887 4.470 0.001 0.000 0.269 120 S C 0.546 175.217 174.600 0.117 0.000 1.154 120 S CA -0.082 58.219 58.200 0.167 0.000 0.824 120 S CB 2.220 65.626 63.200 0.343 0.000 1.118 120 S HN 0.553 8.863 8.310 -0.000 0.000 0.462 121 S N 1.140 116.877 115.700 0.062 0.000 2.524 121 S HA 0.394 4.864 4.470 0.001 0.000 0.216 121 S C 1.065 175.672 174.600 0.011 0.000 0.987 121 S CA 0.304 58.522 58.200 0.029 0.000 0.909 121 S CB -0.140 63.061 63.200 0.002 0.000 0.781 121 S HN 0.938 9.248 8.310 -0.000 0.000 0.521 122 A N 2.201 125.012 122.820 -0.014 0.000 2.297 122 A HA 0.288 4.609 4.320 0.001 0.000 0.279 122 A C 0.430 178.034 177.584 0.033 0.000 1.219 122 A CA 0.316 52.297 52.037 -0.095 0.000 0.827 122 A CB 0.170 18.911 19.000 -0.432 0.000 1.129 122 A HN 0.353 8.503 8.150 -0.000 0.000 0.511 123 K N -1.043 119.377 120.400 0.033 0.000 2.267 123 K HA 0.455 4.775 4.320 0.001 0.000 0.246 123 K C -0.901 175.831 176.600 0.221 0.000 0.954 123 K CA -0.431 55.919 56.287 0.105 0.000 0.824 123 K CB 1.751 34.283 32.500 0.054 0.000 1.167 123 K HN 0.576 8.826 8.250 -0.000 0.000 0.431 124 T N 2.138 116.816 114.554 0.208 0.000 2.738 124 T HA 0.109 4.460 4.350 0.001 0.000 0.293 124 T C -0.488 174.352 174.700 0.234 0.000 0.913 124 T CA 0.248 62.503 62.100 0.258 0.000 1.103 124 T CB 0.107 69.083 68.868 0.179 0.000 0.880 124 T HN 0.367 8.607 8.240 -0.000 0.000 0.526 125 T N 7.629 122.357 114.554 0.289 0.000 2.815 125 T HA 0.395 4.746 4.350 0.001 0.000 0.289 125 T C -2.435 172.337 174.700 0.120 0.000 1.000 125 T CA -1.386 60.824 62.100 0.183 0.000 0.958 125 T CB 1.536 70.487 68.868 0.139 0.000 0.944 125 T HN 0.312 8.552 8.240 -0.000 0.000 0.442 126 P HA 0.187 4.607 4.420 -0.000 0.000 0.268 126 P C -2.589 174.672 177.300 -0.065 0.000 1.205 126 P CA -1.331 61.764 63.100 -0.009 0.000 0.771 126 P CB -0.065 31.665 31.700 0.051 0.000 0.858 127 P HA 0.095 4.515 4.420 -0.000 0.000 0.274 127 P C -0.459 176.776 177.300 -0.108 0.000 1.246 127 P CA -0.098 62.965 63.100 -0.061 0.000 0.795 127 P CB 0.622 32.216 31.700 -0.178 0.000 1.006 128 S N 0.323 115.932 115.700 -0.151 0.000 2.456 128 S HA 0.349 4.820 4.470 0.001 0.000 0.316 128 S C -0.224 174.028 174.600 -0.580 0.000 1.089 128 S CA -0.598 57.394 58.200 -0.346 0.000 1.101 128 S CB 0.561 63.563 63.200 -0.331 0.000 0.995 128 S HN 0.169 8.479 8.310 -0.000 0.000 0.468 129 V N 5.192 124.799 119.914 -0.512 0.000 2.370 129 V HA 0.423 4.544 4.120 0.001 0.000 0.279 129 V C -1.208 174.626 176.094 -0.433 0.000 1.029 129 V CA -0.588 61.466 62.300 -0.409 0.000 0.870 129 V CB 0.246 31.937 31.823 -0.219 0.000 0.984 129 V HN 0.730 8.920 8.190 -0.000 0.000 0.451 130 Y N 6.100 126.413 120.300 0.023 0.000 2.364 130 Y HA 0.511 5.062 4.550 0.001 0.000 0.340 130 Y C -2.178 173.750 175.900 0.047 0.000 0.975 130 Y CA -3.434 54.687 58.100 0.035 0.000 1.089 130 Y CB 1.895 40.380 38.460 0.040 0.000 1.192 130 Y HN 0.428 8.708 8.280 -0.000 0.000 0.454 131 P HA 0.189 4.609 4.420 -0.000 0.000 0.276 131 P C -0.697 176.698 177.300 0.158 0.000 1.230 131 P CA -0.033 63.168 63.100 0.169 0.000 0.776 131 P CB 1.363 33.157 31.700 0.157 0.000 0.888 132 L N 2.784 124.094 121.223 0.145 0.000 2.426 132 L HA 0.468 4.808 4.340 0.001 0.000 0.255 132 L C 0.708 177.597 176.870 0.030 0.000 1.080 132 L CA -0.658 54.239 54.840 0.096 0.000 0.960 132 L CB 0.697 42.818 42.059 0.103 0.000 1.326 132 L HN 0.364 8.594 8.230 -0.000 0.000 0.441 133 A N 3.508 126.357 122.820 0.049 0.000 2.304 133 A HA 0.759 5.080 4.320 0.001 0.000 0.301 133 A C -2.364 175.248 177.584 0.046 0.000 1.132 133 A CA -1.418 50.637 52.037 0.031 0.000 0.819 133 A CB 0.300 19.413 19.000 0.188 0.000 1.094 133 A HN 0.331 8.481 8.150 -0.000 0.000 0.492 134 P HA 0.217 4.637 4.420 -0.000 0.000 0.265 134 P C 0.663 178.024 177.300 0.102 0.000 1.193 134 P CA 0.461 63.598 63.100 0.062 0.000 0.765 134 P CB 0.571 32.322 31.700 0.084 0.000 0.823 135 G N 1.695 110.535 108.800 0.067 0.000 2.647 135 G HA2 -0.025 3.936 3.960 0.001 0.000 0.234 135 G HA3 -0.025 3.936 3.960 0.001 0.000 0.234 135 G C 0.598 175.539 174.900 0.070 0.000 1.252 135 G CA -0.387 44.750 45.100 0.061 0.000 0.846 135 G HN 0.436 8.726 8.290 -0.000 0.000 0.589 136 S N 0.338 116.073 115.700 0.058 0.000 3.054 136 S HA 0.277 4.747 4.470 0.001 0.000 0.243 136 S C 1.213 175.836 174.600 0.039 0.000 1.013 136 S CA 0.530 58.760 58.200 0.050 0.000 1.119 136 S CB -0.136 63.087 63.200 0.038 0.000 0.838 136 S HN 1.047 9.357 8.310 -0.000 0.000 0.505 137 A N 0.182 123.027 122.820 0.042 0.000 2.515 137 A HA 0.657 4.977 4.320 0.001 0.000 0.253 137 A C 0.340 177.945 177.584 0.036 0.000 0.863 137 A CA -0.228 51.828 52.037 0.032 0.000 1.124 137 A CB 0.031 19.045 19.000 0.025 0.000 1.214 137 A HN 0.442 8.592 8.150 -0.000 0.000 0.470 138 A N 0.607 123.458 122.820 0.050 0.000 2.366 138 A HA 0.650 4.970 4.320 0.001 0.000 0.272 138 A C 0.688 178.302 177.584 0.050 0.000 1.135 138 A CA 0.342 52.411 52.037 0.054 0.000 0.804 138 A CB 0.286 19.334 19.000 0.080 0.000 1.064 138 A HN 1.575 9.725 8.150 -0.000 0.000 0.499 139 A N 3.113 125.957 122.820 0.040 0.000 2.915 139 A HA 0.520 4.841 4.320 0.001 0.000 0.292 139 A C 0.979 178.588 177.584 0.041 0.000 1.632 139 A CA 0.203 52.260 52.037 0.034 0.000 1.337 139 A CB -1.152 17.862 19.000 0.024 0.000 1.111 139 A HN 2.076 10.226 8.150 -0.000 0.000 0.569 140 A N 1.969 124.820 122.820 0.053 0.000 2.577 140 A HA 0.360 4.680 4.320 0.001 0.000 0.289 140 A C 1.098 178.709 177.584 0.045 0.000 1.337 140 A CA 0.831 52.906 52.037 0.064 0.000 1.022 140 A CB -1.048 17.989 19.000 0.062 0.000 0.960 140 A HN 1.626 9.776 8.150 -0.000 0.000 0.570 141 A N 2.453 125.298 122.820 0.041 0.000 2.257 141 A HA 0.611 4.931 4.320 0.001 0.000 0.290 141 A C 1.692 179.292 177.584 0.027 0.000 1.201 141 A CA 0.280 52.333 52.037 0.027 0.000 0.863 141 A CB -0.204 18.807 19.000 0.019 0.000 1.256 141 A HN 0.932 9.082 8.150 -0.000 0.000 0.506 142 S N -0.351 115.359 115.700 0.017 0.000 2.380 142 S HA -0.140 4.331 4.470 0.001 0.000 0.229 142 S C 0.864 175.473 174.600 0.015 0.000 1.050 142 S CA 1.431 59.640 58.200 0.014 0.000 1.100 142 S CB -0.433 62.771 63.200 0.006 0.000 0.984 142 S HN 0.592 8.902 8.310 -0.000 0.000 0.434 143 M N 0.795 120.399 119.600 0.007 0.000 2.472 143 M HA 0.536 5.016 4.480 0.001 0.000 0.331 143 M C -0.575 175.724 176.300 -0.001 0.000 1.170 143 M CA -0.712 54.585 55.300 -0.005 0.000 1.009 143 M CB 1.462 34.046 32.600 -0.026 0.000 1.672 143 M HN 0.057 8.347 8.290 -0.000 0.000 0.453 144 V N 2.591 122.498 119.914 -0.012 0.000 2.407 144 V HA 0.475 4.595 4.120 0.001 0.000 0.291 144 V C -0.603 175.404 176.094 -0.145 0.000 1.018 144 V CA -0.202 62.082 62.300 -0.027 0.000 0.842 144 V CB 1.842 33.716 31.823 0.084 0.000 0.996 144 V HN 0.938 9.128 8.190 -0.000 0.000 0.426 145 T N 8.724 123.189 114.554 -0.148 0.000 2.771 145 T HA 0.570 4.920 4.350 0.001 0.000 0.291 145 T C -0.064 174.467 174.700 -0.281 0.000 0.954 145 T CA 0.011 61.993 62.100 -0.196 0.000 1.045 145 T CB 0.629 69.434 68.868 -0.105 0.000 0.917 145 T HN 0.519 8.759 8.240 -0.000 0.000 0.484 146 L N 1.767 122.753 121.223 -0.394 0.000 2.267 146 L HA 0.980 5.321 4.340 0.001 0.000 0.264 146 L C 0.721 177.439 176.870 -0.253 0.000 1.021 146 L CA -1.057 53.529 54.840 -0.423 0.000 0.861 146 L CB 1.840 43.503 42.059 -0.660 0.000 1.443 146 L HN 0.829 9.059 8.230 -0.000 0.000 0.475 147 G N -0.865 107.921 108.800 -0.022 0.000 2.328 147 G HA2 0.465 4.426 3.960 0.001 0.000 0.295 147 G HA3 0.465 4.426 3.960 0.001 0.000 0.295 147 G C -1.893 173.276 174.900 0.449 0.000 1.413 147 G CA -0.236 45.044 45.100 0.301 0.000 0.817 147 G HN 0.929 9.219 8.290 -0.000 0.000 0.546 148 c N -0.952 117.896 118.600 0.414 0.000 2.985 148 c HA 0.843 5.414 4.570 0.001 0.000 0.314 148 c C -0.809 173.378 174.090 0.161 0.000 1.215 148 c CA -1.130 55.325 56.329 0.210 0.000 1.414 148 c CB 0.746 43.282 42.510 0.043 0.000 1.842 148 c HN 1.128 9.358 8.230 -0.000 0.000 0.477 149 L N 3.402 124.714 121.223 0.148 0.000 2.264 149 L HA 0.739 5.080 4.340 0.001 0.000 0.289 149 L C -0.385 176.523 176.870 0.064 0.000 1.044 149 L CA -0.103 54.828 54.840 0.152 0.000 0.807 149 L CB 1.387 43.584 42.059 0.230 0.000 1.192 149 L HN 0.737 8.967 8.230 -0.000 0.000 0.425 150 V N 6.027 125.988 119.914 0.077 0.000 2.313 150 V HA 0.520 4.641 4.120 0.001 0.000 0.278 150 V C -0.155 176.053 176.094 0.190 0.000 1.017 150 V CA -0.654 61.671 62.300 0.041 0.000 0.823 150 V CB 0.692 32.516 31.823 0.001 0.000 1.010 150 V HN 0.847 9.037 8.190 -0.000 0.000 0.443 151 K N 2.423 122.897 120.400 0.124 0.000 2.482 151 K HA 0.815 5.135 4.320 0.001 0.000 0.257 151 K C 0.422 177.099 176.600 0.128 0.000 0.969 151 K CA -0.294 56.093 56.287 0.167 0.000 0.842 151 K CB 2.214 34.805 32.500 0.153 0.000 1.359 151 K HN 0.959 9.209 8.250 -0.000 0.000 0.441 152 G N 1.099 109.938 108.800 0.064 0.000 2.198 152 G HA2 -0.272 3.688 3.960 0.001 0.000 0.257 152 G HA3 -0.272 3.688 3.960 0.001 0.000 0.257 152 G C -0.673 174.260 174.900 0.055 0.000 1.042 152 G CA 0.941 46.057 45.100 0.028 0.000 0.791 152 G HN 0.791 9.081 8.290 -0.000 0.000 0.502 153 Y N -2.176 118.146 120.300 0.038 0.000 2.528 153 Y HA 0.883 5.433 4.550 0.001 0.000 0.335 153 Y C -0.556 175.501 175.900 0.261 0.000 1.093 153 Y CA -3.143 54.938 58.100 -0.031 0.000 1.134 153 Y CB 1.548 39.805 38.460 -0.338 0.000 1.253 153 Y HN 0.399 8.679 8.280 -0.000 0.000 0.478 154 F N 3.470 123.536 119.950 0.192 0.000 2.654 154 F HA 0.594 5.121 4.527 0.001 0.000 0.314 154 F C -3.003 173.066 175.800 0.448 0.000 1.116 154 F CA -1.889 56.303 58.000 0.320 0.000 1.017 154 F CB 2.329 41.407 39.000 0.130 0.000 1.285 154 F HN 0.473 8.773 8.300 -0.000 0.000 0.448 155 P HA 0.293 4.713 4.420 -0.000 0.000 0.338 155 P C -0.977 176.334 177.300 0.018 0.000 1.273 155 P CA -0.279 62.486 63.100 -0.558 0.000 0.778 155 P CB 1.235 32.422 31.700 -0.854 0.000 1.452 156 E N 0.248 120.292 120.200 -0.259 0.000 2.408 156 E HA 0.227 4.578 4.350 0.001 0.000 0.259 156 E C -1.792 174.747 176.600 -0.101 0.000 1.110 156 E CA -0.771 55.522 56.400 -0.179 0.000 0.929 156 E CB -0.238 29.227 29.700 -0.392 0.000 0.971 156 E HN 0.426 8.786 8.360 -0.000 0.000 0.438 157 P HA 0.393 4.813 4.420 -0.000 0.000 0.321 157 P C -1.148 176.126 177.300 -0.045 0.000 1.259 157 P CA -0.616 62.457 63.100 -0.044 0.000 0.864 157 P CB 1.535 33.189 31.700 -0.077 0.000 1.355 158 V N -3.450 116.382 119.914 -0.137 0.000 2.789 158 V HA 0.802 4.923 4.120 0.001 0.000 0.311 158 V C -0.262 175.743 176.094 -0.149 0.000 1.073 158 V CA -0.709 61.455 62.300 -0.228 0.000 0.921 158 V CB 1.027 32.517 31.823 -0.555 0.000 1.009 158 V HN 0.755 8.945 8.190 -0.000 0.000 0.426 159 T N 0.678 115.155 114.554 -0.128 0.000 2.824 159 T HA 0.823 5.174 4.350 0.001 0.000 0.280 159 T C -0.584 174.039 174.700 -0.127 0.000 0.995 159 T CA -0.702 61.339 62.100 -0.098 0.000 1.009 159 T CB 1.558 70.381 68.868 -0.074 0.000 0.955 159 T HN 0.906 9.146 8.240 -0.000 0.000 0.452 160 V N 3.436 123.280 119.914 -0.116 0.000 2.588 160 V HA 0.787 4.908 4.120 0.001 0.000 0.304 160 V C 0.242 176.237 176.094 -0.165 0.000 1.042 160 V CA -0.670 61.520 62.300 -0.183 0.000 0.877 160 V CB 1.797 33.519 31.823 -0.168 0.000 0.996 160 V HN 1.320 9.510 8.190 -0.000 0.000 0.425 161 T N 0.218 114.619 114.554 -0.255 0.000 2.896 161 T HA 0.715 5.066 4.350 0.001 0.000 0.297 161 T C -1.504 173.014 174.700 -0.304 0.000 1.108 161 T CA -0.699 61.314 62.100 -0.145 0.000 1.004 161 T CB 1.764 70.597 68.868 -0.058 0.000 1.159 161 T HN 0.421 8.661 8.240 -0.000 0.000 0.499 162 W N 1.093 122.381 121.300 -0.020 0.000 2.573 162 W HA 0.564 5.224 4.660 0.000 0.000 0.326 162 W C 0.215 176.729 176.519 -0.007 0.000 1.049 162 W CA -0.458 56.878 57.345 -0.015 0.000 1.220 162 W CB 0.773 30.218 29.460 -0.025 0.000 1.373 162 W HN 0.787 8.967 8.180 -0.000 0.000 0.507 163 N N 2.144 120.966 118.700 0.204 0.000 2.705 163 N HA -0.244 4.496 4.740 0.001 0.000 0.255 163 N C 0.215 175.773 175.510 0.080 0.000 1.008 163 N CA 1.631 54.760 53.050 0.131 0.000 0.742 163 N CB -1.513 37.061 38.487 0.144 0.000 0.906 163 N HN 0.609 8.989 8.380 -0.000 0.000 0.541 164 S N -2.749 112.976 115.700 0.040 0.000 3.473 164 S HA -0.207 4.263 4.470 0.001 0.000 0.339 164 S C 1.403 176.021 174.600 0.029 0.000 1.148 164 S CA 1.996 60.207 58.200 0.018 0.000 0.969 164 S CB -1.520 61.690 63.200 0.017 0.000 0.936 164 S HN 1.554 9.864 8.310 -0.000 0.000 0.530 165 G N -0.285 108.550 108.800 0.057 0.000 2.195 165 G HA2 -0.343 3.617 3.960 0.001 0.000 0.246 165 G HA3 -0.343 3.617 3.960 0.001 0.000 0.246 165 G C 0.980 175.915 174.900 0.058 0.000 0.984 165 G CA 0.982 46.118 45.100 0.059 0.000 0.633 165 G HN 1.683 9.973 8.290 -0.000 0.000 0.525 166 S N -0.942 114.793 115.700 0.059 0.000 2.447 166 S HA 0.267 4.737 4.470 0.001 0.000 0.233 166 S C 1.142 175.771 174.600 0.049 0.000 1.006 166 S CA 1.348 59.576 58.200 0.047 0.000 0.957 166 S CB 0.129 63.357 63.200 0.046 0.000 0.773 166 S HN 0.963 9.273 8.310 -0.000 0.000 0.507 167 L N 1.587 122.857 121.223 0.078 0.000 2.417 167 L HA 0.709 5.050 4.340 0.001 0.000 0.258 167 L C 0.802 177.704 176.870 0.055 0.000 1.088 167 L CA -0.378 54.497 54.840 0.058 0.000 0.975 167 L CB 0.185 42.297 42.059 0.089 0.000 1.341 167 L HN 0.226 8.456 8.230 -0.000 0.000 0.431 168 A N 2.881 125.713 122.820 0.020 0.000 2.063 168 A HA 0.602 4.923 4.320 0.001 0.000 0.211 168 A C 1.190 178.753 177.584 -0.034 0.000 1.177 168 A CA 0.585 52.630 52.037 0.013 0.000 0.759 168 A CB -0.057 18.949 19.000 0.010 0.000 0.857 168 A HN 0.596 8.746 8.150 -0.000 0.000 0.468 169 A N -1.229 121.557 122.820 -0.056 0.000 2.340 169 A HA 0.491 4.811 4.320 0.001 0.000 0.268 169 A C 1.440 178.931 177.584 -0.155 0.000 1.100 169 A CA 0.299 52.281 52.037 -0.091 0.000 0.803 169 A CB -0.425 18.532 19.000 -0.071 0.000 1.043 169 A HN 1.897 10.047 8.150 -0.000 0.000 0.488 170 G N 0.131 108.807 108.800 -0.207 0.000 2.168 170 G HA2 -0.139 3.821 3.960 0.001 0.000 0.257 170 G HA3 -0.139 3.821 3.960 0.001 0.000 0.257 170 G C 0.124 174.777 174.900 -0.411 0.000 0.997 170 G CA 0.326 45.241 45.100 -0.307 0.000 0.708 170 G HN 1.261 9.551 8.290 -0.000 0.000 0.520 171 V N 0.007 119.717 119.914 -0.340 0.000 2.539 171 V HA 0.631 4.751 4.120 0.001 0.000 0.292 171 V C 0.237 176.194 176.094 -0.228 0.000 1.045 171 V CA -0.485 61.665 62.300 -0.250 0.000 0.945 171 V CB 1.638 33.443 31.823 -0.030 0.000 0.993 171 V HN 0.419 8.609 8.190 -0.000 0.000 0.464 172 H N 1.355 120.377 119.070 -0.079 0.000 3.108 172 H HA 0.364 4.920 4.556 0.001 0.000 0.329 172 H C -0.813 174.363 175.328 -0.252 0.000 0.978 172 H CA -0.529 55.376 56.048 -0.239 0.000 1.413 172 H CB 1.581 31.138 29.762 -0.341 0.000 1.670 172 H HN 0.607 8.887 8.280 -0.000 0.000 0.512 173 T N 4.644 119.130 114.554 -0.113 0.000 2.770 173 T HA 0.235 4.586 4.350 0.001 0.000 0.297 173 T C -0.141 174.442 174.700 -0.195 0.000 0.997 173 T CA -0.574 61.501 62.100 -0.043 0.000 0.949 173 T CB 0.076 68.971 68.868 0.044 0.000 0.941 173 T HN 0.207 8.447 8.240 -0.000 0.000 0.457 174 F N 3.621 123.621 119.950 0.084 0.000 2.418 174 F HA 0.363 4.890 4.527 0.001 0.000 0.341 174 F C -1.675 174.160 175.800 0.059 0.000 1.120 174 F CA -2.413 55.617 58.000 0.051 0.000 1.232 174 F CB -0.075 38.953 39.000 0.048 0.000 1.175 174 F HN 0.321 8.621 8.300 -0.000 0.000 0.569 175 P HA 0.100 4.520 4.420 -0.000 0.000 0.265 175 P C -0.835 176.572 177.300 0.178 0.000 1.193 175 P CA -0.149 63.034 63.100 0.138 0.000 0.765 175 P CB 0.440 32.206 31.700 0.109 0.000 0.823 176 A N 3.112 126.029 122.820 0.162 0.000 2.445 176 A HA 0.420 4.741 4.320 0.001 0.000 0.242 176 A C 0.190 177.920 177.584 0.243 0.000 1.075 176 A CA -0.202 51.966 52.037 0.219 0.000 0.777 176 A CB -0.108 19.020 19.000 0.213 0.000 1.013 176 A HN 0.479 8.629 8.150 -0.000 0.000 0.493 177 V N 1.043 121.096 119.914 0.233 0.000 2.513 177 V HA 0.744 4.865 4.120 0.001 0.000 0.299 177 V C -0.443 175.734 176.094 0.140 0.000 1.035 177 V CA -0.976 61.427 62.300 0.172 0.000 0.889 177 V CB 1.186 33.064 31.823 0.092 0.000 0.988 177 V HN 0.885 9.075 8.190 -0.000 0.000 0.440 178 L N 3.745 124.994 121.223 0.044 0.000 2.307 178 L HA 0.722 5.063 4.340 0.001 0.000 0.282 178 L C -0.283 176.492 176.870 -0.158 0.000 1.051 178 L CA 0.296 54.991 54.840 -0.241 0.000 0.804 178 L CB 1.321 43.156 42.059 -0.375 0.000 1.197 178 L HN 1.050 9.280 8.230 -0.000 0.000 0.431 179 Q N 4.536 124.217 119.800 -0.199 0.000 2.380 179 Q HA 0.520 4.860 4.340 0.001 0.000 0.245 179 Q C -0.538 175.370 176.000 -0.154 0.000 0.893 179 Q CA 0.036 55.759 55.803 -0.134 0.000 0.922 179 Q CB 1.470 30.161 28.738 -0.078 0.000 1.432 179 Q HN 1.172 9.442 8.270 -0.000 0.000 0.434 180 A N 2.877 125.608 122.820 -0.149 0.000 2.914 180 A HA -0.018 4.302 4.320 0.001 0.000 0.280 180 A C 0.825 178.273 177.584 -0.226 0.000 1.447 180 A CA 1.235 53.181 52.037 -0.152 0.000 0.759 180 A CB -2.296 16.638 19.000 -0.110 0.000 1.034 180 A HN 2.354 10.504 8.150 -0.000 0.000 0.529 181 A N -2.918 119.717 122.820 -0.307 0.000 2.847 181 A HA -0.134 4.187 4.320 0.001 0.000 0.263 181 A C 0.228 177.470 177.584 -0.570 0.000 1.391 181 A CA 1.788 53.511 52.037 -0.524 0.000 0.866 181 A CB -2.068 16.617 19.000 -0.524 0.000 1.057 181 A HN 1.841 9.991 8.150 -0.000 0.000 0.673 182 L N -1.723 119.278 121.223 -0.370 0.000 2.431 182 L HA 0.614 4.955 4.340 0.001 0.000 0.266 182 L C -0.234 176.435 176.870 -0.334 0.000 0.978 182 L CA -0.972 53.720 54.840 -0.247 0.000 0.822 182 L CB 1.861 43.830 42.059 -0.150 0.000 1.310 182 L HN 0.305 8.535 8.230 -0.000 0.000 0.409 183 Y N 0.576 120.685 120.300 -0.320 0.000 2.335 183 Y HA 0.509 5.060 4.550 0.001 0.000 0.323 183 Y C 0.409 176.000 175.900 -0.516 0.000 1.224 183 Y CA -0.090 57.689 58.100 -0.535 0.000 1.241 183 Y CB 2.125 40.004 38.460 -0.968 0.000 1.235 183 Y HN 0.383 8.663 8.280 -0.000 0.000 0.492 184 T N 4.373 118.944 114.554 0.027 0.000 2.993 184 T HA 0.622 4.973 4.350 0.001 0.000 0.312 184 T C -1.719 173.121 174.700 0.234 0.000 1.115 184 T CA -0.674 61.515 62.100 0.148 0.000 1.027 184 T CB 1.021 69.943 68.868 0.090 0.000 1.116 184 T HN 0.473 8.713 8.240 -0.000 0.000 0.464 185 L N 0.499 121.892 121.223 0.284 0.000 2.622 185 L HA 1.009 5.349 4.340 0.001 0.000 0.258 185 L C -0.676 176.328 176.870 0.223 0.000 0.996 185 L CA -0.971 54.021 54.840 0.253 0.000 0.858 185 L CB 1.573 43.798 42.059 0.276 0.000 1.449 185 L HN 0.601 8.831 8.230 -0.000 0.000 0.411 186 S N -0.435 115.417 115.700 0.254 0.000 2.548 186 S HA 0.875 5.346 4.470 0.001 0.000 0.286 186 S C -0.716 174.133 174.600 0.415 0.000 1.098 186 S CA -0.504 57.853 58.200 0.261 0.000 0.930 186 S CB 1.630 64.941 63.200 0.184 0.000 1.070 186 S HN 1.034 9.344 8.310 -0.000 0.000 0.480 187 S N 1.365 117.293 115.700 0.380 0.000 2.478 187 S HA 0.713 5.183 4.470 0.001 0.000 0.312 187 S C -0.479 174.447 174.600 0.543 0.000 1.094 187 S CA -0.551 57.926 58.200 0.461 0.000 1.081 187 S CB 0.792 64.248 63.200 0.425 0.000 1.007 187 S HN 1.153 9.463 8.310 -0.000 0.000 0.475 188 S N 3.500 119.453 115.700 0.422 0.000 2.454 188 S HA 0.723 5.194 4.470 0.001 0.000 0.306 188 S C -0.686 173.826 174.600 -0.147 0.000 1.100 188 S CA -0.700 57.611 58.200 0.187 0.000 1.087 188 S CB 1.439 64.810 63.200 0.285 0.000 1.019 188 S HN 0.710 9.020 8.310 -0.000 0.000 0.480 189 V N 3.364 122.931 119.914 -0.579 0.000 2.487 189 V HA 0.624 4.745 4.120 0.001 0.000 0.298 189 V C -0.651 175.106 176.094 -0.561 0.000 1.028 189 V CA -0.141 61.654 62.300 -0.841 0.000 0.860 189 V CB 1.912 32.664 31.823 -1.786 0.000 0.991 189 V HN 1.092 9.282 8.190 -0.000 0.000 0.427 190 T N 7.031 121.349 114.554 -0.394 0.000 2.770 190 T HA 0.587 4.937 4.350 0.001 0.000 0.297 190 T C -0.299 174.264 174.700 -0.228 0.000 0.997 190 T CA -0.205 61.734 62.100 -0.269 0.000 0.949 190 T CB 1.026 69.781 68.868 -0.187 0.000 0.941 190 T HN 0.936 9.176 8.240 -0.000 0.000 0.457 191 V N 2.149 121.948 119.914 -0.192 0.000 3.113 191 V HA 0.807 4.927 4.120 0.001 0.000 0.316 191 V C -3.035 173.035 176.094 -0.040 0.000 1.125 191 V CA -3.493 58.740 62.300 -0.111 0.000 1.026 191 V CB 1.603 33.372 31.823 -0.091 0.000 1.080 191 V HN 0.402 8.592 8.190 -0.000 0.000 0.444 192 P HA 0.167 4.587 4.420 -0.000 0.000 0.268 192 P C 0.906 178.243 177.300 0.062 0.000 1.204 192 P CA 0.354 63.464 63.100 0.017 0.000 0.768 192 P CB 1.057 32.765 31.700 0.014 0.000 0.842 193 S N 2.359 118.097 115.700 0.064 0.000 2.440 193 S HA -0.150 4.320 4.470 0.001 0.000 0.240 193 S C 1.612 176.267 174.600 0.091 0.000 1.014 193 S CA 1.945 60.206 58.200 0.103 0.000 0.980 193 S CB -0.737 62.507 63.200 0.073 0.000 0.775 193 S HN 0.574 8.884 8.310 -0.000 0.000 0.499 194 S N -0.755 114.979 115.700 0.057 0.000 2.593 194 S HA 0.201 4.672 4.470 0.001 0.000 0.217 194 S C 1.589 176.216 174.600 0.044 0.000 0.966 194 S CA 0.646 58.868 58.200 0.035 0.000 0.914 194 S CB 0.025 63.237 63.200 0.020 0.000 0.776 194 S HN 0.367 8.677 8.310 -0.000 0.000 0.523 195 S N -0.275 115.474 115.700 0.081 0.000 2.492 195 S HA 0.302 4.773 4.470 0.001 0.000 0.218 195 S C -0.341 174.363 174.600 0.175 0.000 1.016 195 S CA -0.506 57.753 58.200 0.098 0.000 0.916 195 S CB 0.034 63.286 63.200 0.086 0.000 0.791 195 S HN 0.761 9.072 8.310 -0.000 0.000 0.513 196 W N 0.950 122.244 121.300 -0.010 0.000 3.138 196 W HA 0.493 5.153 4.660 0.000 0.000 0.331 196 W C -2.895 173.624 176.519 -0.001 0.000 1.166 196 W CA -1.775 55.569 57.345 -0.003 0.000 1.212 196 W CB 1.419 30.872 29.460 -0.011 0.000 1.399 196 W HN -0.146 8.034 8.180 -0.000 0.000 0.514 197 P HA -0.087 4.333 4.420 -0.000 0.000 0.241 197 P C 1.577 178.569 177.300 -0.513 0.000 1.191 197 P CA 1.587 63.874 63.100 -1.356 0.000 0.771 197 P CB 0.256 31.180 31.700 -1.292 0.000 0.929 198 S N -1.230 114.305 115.700 -0.275 0.000 2.407 198 S HA -0.203 4.268 4.470 0.001 0.000 0.235 198 S C 0.861 175.419 174.600 -0.071 0.000 1.036 198 S CA 0.960 59.080 58.200 -0.134 0.000 1.013 198 S CB -0.671 62.485 63.200 -0.073 0.000 0.820 198 S HN 0.278 8.588 8.310 -0.000 0.000 0.476 199 E N 0.055 120.239 120.200 -0.027 0.000 2.277 199 E HA 0.378 4.729 4.350 0.001 0.000 0.266 199 E C -1.257 175.412 176.600 0.114 0.000 0.901 199 E CA -0.633 55.794 56.400 0.044 0.000 0.782 199 E CB 1.752 31.494 29.700 0.069 0.000 1.228 199 E HN 0.058 8.418 8.360 -0.000 0.000 0.424 200 T N 1.881 116.504 114.554 0.115 0.000 2.817 200 T HA 0.166 4.516 4.350 0.001 0.000 0.295 200 T C -0.586 174.250 174.700 0.226 0.000 0.958 200 T CA -0.047 62.151 62.100 0.163 0.000 1.157 200 T CB 0.191 69.127 68.868 0.112 0.000 0.898 200 T HN 0.152 8.392 8.240 -0.000 0.000 0.536 201 V N 5.411 125.518 119.914 0.323 0.000 2.304 201 V HA 0.333 4.453 4.120 0.001 0.000 0.278 201 V C 0.324 176.611 176.094 0.322 0.000 1.018 201 V CA -0.689 61.797 62.300 0.309 0.000 0.814 201 V CB 1.508 33.476 31.823 0.242 0.000 1.021 201 V HN 0.908 9.098 8.190 -0.000 0.000 0.440 202 T N 3.841 118.563 114.554 0.280 0.000 2.823 202 T HA 0.340 4.690 4.350 0.001 0.000 0.279 202 T C -0.171 174.565 174.700 0.059 0.000 0.998 202 T CA -0.323 61.878 62.100 0.169 0.000 0.994 202 T CB 1.249 70.167 68.868 0.082 0.000 0.960 202 T HN 0.857 9.097 8.240 -0.000 0.000 0.448 203 c N 4.472 122.928 118.600 -0.241 0.000 2.273 203 c HA 0.648 5.218 4.570 0.001 0.000 0.328 203 c C -0.197 173.593 174.090 -0.501 0.000 1.275 203 c CA -1.078 54.718 56.329 -0.888 0.000 1.704 203 c CB -1.520 40.172 42.510 -1.363 0.000 2.326 203 c HN 0.910 9.140 8.230 -0.000 0.000 0.517 204 N N 3.599 122.023 118.700 -0.460 0.000 2.424 204 N HA 0.596 5.337 4.740 0.001 0.000 0.271 204 N C -1.031 174.316 175.510 -0.271 0.000 0.985 204 N CA -0.586 52.302 53.050 -0.269 0.000 0.921 204 N CB 1.820 40.205 38.487 -0.170 0.000 1.149 204 N HN 0.584 8.964 8.380 -0.000 0.000 0.492 205 V N 0.934 120.717 119.914 -0.218 0.000 2.513 205 V HA 0.835 4.956 4.120 0.001 0.000 0.299 205 V C -0.207 175.802 176.094 -0.141 0.000 1.035 205 V CA -0.826 61.355 62.300 -0.199 0.000 0.889 205 V CB 1.346 33.041 31.823 -0.213 0.000 0.988 205 V HN 0.815 9.005 8.190 -0.000 0.000 0.440 206 A N 2.829 125.573 122.820 -0.127 0.000 2.356 206 A HA 0.716 5.036 4.320 0.001 0.000 0.310 206 A C -0.775 176.776 177.584 -0.054 0.000 1.075 206 A CA -0.475 51.514 52.037 -0.080 0.000 0.746 206 A CB 1.012 19.968 19.000 -0.074 0.000 1.221 206 A HN 0.979 9.129 8.150 -0.000 0.000 0.443 207 H N 5.375 124.360 119.070 -0.140 0.000 2.716 207 H HA 0.254 4.810 4.556 0.001 0.000 0.260 207 H C -2.141 173.145 175.328 -0.070 0.000 1.280 207 H CA -1.782 54.184 56.048 -0.137 0.000 1.506 207 H CB 1.813 31.492 29.762 -0.137 0.000 1.514 207 H HN 0.487 8.767 8.280 -0.000 0.000 0.502 208 P HA -0.179 4.241 4.420 -0.000 0.000 0.216 208 P C 1.426 178.587 177.300 -0.231 0.000 1.150 208 P CA 1.483 64.478 63.100 -0.176 0.000 0.837 208 P CB 0.290 31.910 31.700 -0.134 0.000 0.786 209 A N 1.216 123.762 122.820 -0.456 0.000 1.903 209 A HA -0.209 4.112 4.320 0.001 0.000 0.219 209 A C 2.287 179.785 177.584 -0.143 0.000 1.191 209 A CA 2.947 54.777 52.037 -0.344 0.000 0.638 209 A CB -1.593 17.117 19.000 -0.483 0.000 0.823 209 A HN 0.442 8.592 8.150 -0.000 0.000 0.451 210 S N -2.132 113.533 115.700 -0.058 0.000 2.605 210 S HA 0.315 4.785 4.470 0.001 0.000 0.217 210 S C 0.603 175.251 174.600 0.079 0.000 0.958 210 S CA 0.729 59.019 58.200 0.151 0.000 0.919 210 S CB -0.177 63.246 63.200 0.372 0.000 0.780 210 S HN 0.833 9.143 8.310 -0.000 0.000 0.507 211 S N 0.609 116.316 115.700 0.012 0.000 3.521 211 S HA -0.135 4.336 4.470 0.001 0.000 0.328 211 S C 0.120 174.732 174.600 0.020 0.000 1.165 211 S CA 1.035 59.238 58.200 0.005 0.000 0.941 211 S CB -2.223 60.983 63.200 0.010 0.000 0.951 211 S HN 0.773 9.083 8.310 -0.000 0.000 0.539 212 T N 2.116 116.697 114.554 0.046 0.000 2.795 212 T HA 0.504 4.854 4.350 0.001 0.000 0.282 212 T C -0.027 174.677 174.700 0.006 0.000 0.980 212 T CA -0.381 61.742 62.100 0.039 0.000 1.012 212 T CB 1.258 70.167 68.868 0.069 0.000 0.936 212 T HN 0.178 8.418 8.240 -0.000 0.000 0.457 213 K N 2.363 122.754 120.400 -0.015 0.000 2.579 213 K HA 0.635 4.955 4.320 0.001 0.000 0.250 213 K C -1.434 175.139 176.600 -0.045 0.000 0.952 213 K CA -0.617 55.648 56.287 -0.037 0.000 0.857 213 K CB 2.097 34.578 32.500 -0.031 0.000 1.123 213 K HN 0.281 8.531 8.250 -0.000 0.000 0.433 214 V N 2.832 122.703 119.914 -0.071 0.000 2.588 214 V HA 0.280 4.400 4.120 0.001 0.000 0.304 214 V C -1.043 174.993 176.094 -0.097 0.000 1.042 214 V CA -0.859 61.395 62.300 -0.076 0.000 0.877 214 V CB 1.991 33.760 31.823 -0.090 0.000 0.996 214 V HN 0.706 8.896 8.190 -0.000 0.000 0.425 215 D N 4.017 124.373 120.400 -0.074 0.000 2.414 215 D HA 0.350 4.990 4.640 0.001 0.000 0.232 215 D C -0.421 175.845 176.300 -0.057 0.000 1.070 215 D CA -0.567 53.386 54.000 -0.078 0.000 0.839 215 D CB 2.179 42.951 40.800 -0.048 0.000 1.079 215 D HN 0.270 8.640 8.370 -0.000 0.000 0.521 216 K N 1.971 122.322 120.400 -0.081 0.000 2.240 216 K HA 0.195 4.515 4.320 0.001 0.000 0.271 216 K C -0.507 176.103 176.600 0.017 0.000 1.018 216 K CA -0.673 55.596 56.287 -0.030 0.000 0.874 216 K CB 0.981 33.455 32.500 -0.045 0.000 1.098 216 K HN 0.077 8.327 8.250 -0.000 0.000 0.458 217 K N 5.995 126.436 120.400 0.067 0.000 2.285 217 K HA 0.228 4.549 4.320 0.001 0.000 0.286 217 K C -0.385 176.321 176.600 0.177 0.000 1.072 217 K CA -0.609 55.752 56.287 0.124 0.000 0.913 217 K CB 0.459 33.024 32.500 0.110 0.000 1.067 217 K HN 0.536 8.786 8.250 -0.000 0.000 0.479 218 I N 6.435 127.152 120.570 0.245 0.000 2.436 218 I HA 0.047 4.217 4.170 0.001 0.000 0.289 218 I C 0.278 176.656 176.117 0.434 0.000 1.083 218 I CA -0.309 61.160 61.300 0.280 0.000 1.372 218 I CB 0.298 38.419 38.000 0.202 0.000 1.408 218 I HN 0.350 8.560 8.210 -0.000 0.000 0.516 219 V N 6.382 126.513 119.914 0.363 0.000 2.628 219 V HA 0.679 4.800 4.120 0.001 0.000 0.306 219 V C -2.390 173.934 176.094 0.384 0.000 1.045 219 V CA -2.099 60.406 62.300 0.341 0.000 0.905 219 V CB 1.542 33.470 31.823 0.174 0.000 0.997 219 V HN 0.575 8.765 8.190 -0.000 0.000 0.436 220 P HA 0.081 4.501 4.420 -0.000 0.000 0.266 220 P C -0.468 176.929 177.300 0.162 0.000 1.193 220 P CA -0.049 63.181 63.100 0.217 0.000 0.770 220 P CB 0.386 32.023 31.700 -0.106 0.000 0.836 221 R N 1.860 122.460 120.500 0.167 0.000 2.446 221 R HA 0.278 4.619 4.340 0.001 0.000 0.325 221 R C 0.960 177.299 176.300 0.065 0.000 0.997 221 R CA -0.139 56.025 56.100 0.108 0.000 1.010 221 R CB -0.344 30.015 30.300 0.098 0.000 0.946 221 R HN 0.555 8.825 8.270 -0.000 0.000 0.422 222 A N 0.000 122.852 122.820 0.054 0.000 2.254 222 A HA 0.000 4.321 4.320 0.001 0.000 0.244 222 A CA 0.000 52.057 52.037 0.033 0.000 0.836 222 A CB 0.000 19.019 19.000 0.031 0.000 0.831 222 A HN 0.000 8.150 8.150 -0.000 0.000 0.486