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 1jcu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLIRKITRKN PSPDVLEEAI SVMEGGGIVI YPTDTIYGLG VNALDEDAVR DATA SEQUENCE RLFRVKGRSP HKPVSICVSC VDEIPRFSRP SGDAMELMER ILPGPYTVVL DATA SEQUENCE ERNELIPDVI TGGSSRVGIR VPDDEICRRI AARFPVTATS ANISGKPPSP DATA SEQUENCE RLEEIVRDLD AVDLVLDAGD CLDMEPSTVI DLTVNPPRVL RRGKGPLDPV DATA SEQUENCE LLRGAGDV 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 1 M HA 0.000 4.481 4.480 0.001 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 L N 0.369 121.592 121.223 0.001 0.000 2.546 2 L HA 0.307 4.648 4.340 0.001 0.000 0.182 2 L C 0.849 177.719 176.870 0.001 0.000 1.167 2 L CA 0.179 55.019 54.840 0.001 0.000 0.845 2 L CB 0.261 42.321 42.059 0.001 0.000 1.134 2 L HN -0.046 8.184 8.230 0.001 0.000 0.500 3 I N 0.919 121.489 120.570 0.001 0.000 2.696 3 I HA 0.001 4.171 4.170 0.001 0.000 0.284 3 I C -0.239 175.879 176.117 0.001 0.000 1.129 3 I CA -0.477 60.823 61.300 0.001 0.000 1.410 3 I CB 1.074 39.075 38.000 0.001 0.000 1.399 3 I HN -0.463 7.748 8.210 0.001 0.000 0.579 4 R N 6.457 126.957 120.500 0.001 0.000 2.387 4 R HA -0.013 4.327 4.340 0.001 0.000 0.321 4 R C -1.018 175.283 176.300 0.001 0.000 1.174 4 R CA 0.269 56.369 56.100 0.001 0.000 1.002 4 R CB -0.667 29.633 30.300 0.000 0.000 1.028 4 R HN 0.372 8.642 8.270 0.001 0.000 0.482 5 K N 4.198 124.599 120.400 0.001 0.000 2.399 5 K HA 0.161 4.482 4.320 0.002 0.000 0.247 5 K C -0.313 176.288 176.600 0.002 0.000 1.036 5 K CA -0.929 55.359 56.287 0.002 0.000 0.977 5 K CB 0.937 33.438 32.500 0.002 0.000 1.272 5 K HN 0.124 8.374 8.250 0.001 0.000 0.501 6 I N -0.020 120.551 120.570 0.002 0.000 2.607 6 I HA 0.215 4.386 4.170 0.002 0.000 0.305 6 I C 0.059 176.178 176.117 0.003 0.000 0.995 6 I CA -0.688 60.613 61.300 0.002 0.000 1.148 6 I CB 1.428 39.430 38.000 0.003 0.000 1.323 6 I HN -0.046 8.166 8.210 0.003 0.000 0.461 7 T N 3.048 117.604 114.554 0.002 0.000 2.652 7 T HA 0.084 4.435 4.350 0.003 0.000 0.319 7 T C 0.068 174.770 174.700 0.004 0.000 1.029 7 T CA -0.439 61.663 62.100 0.003 0.000 0.990 7 T CB 0.852 69.722 68.868 0.002 0.000 1.098 7 T HN -0.002 8.239 8.240 0.002 0.000 0.520 8 R N 0.037 120.539 120.500 0.004 0.000 2.038 8 R HA 0.052 4.396 4.340 0.006 0.000 0.214 8 R C 0.556 176.858 176.300 0.005 0.000 1.249 8 R CA 0.873 56.976 56.100 0.005 0.000 1.025 8 R CB 0.159 30.462 30.300 0.004 0.000 0.911 8 R HN 0.146 8.418 8.270 0.003 0.000 0.456 9 K N 1.261 121.663 120.400 0.003 0.000 2.297 9 K HA -0.003 4.319 4.320 0.003 0.000 0.286 9 K C -1.027 175.574 176.600 0.001 0.000 1.053 9 K CA -0.407 55.882 56.287 0.002 0.000 0.940 9 K CB 0.239 32.739 32.500 0.001 0.000 1.019 9 K HN -0.175 8.076 8.250 0.003 0.000 0.475 10 N N 4.224 122.925 118.700 0.001 0.000 2.438 10 N HA 0.254 4.994 4.740 -0.000 0.000 0.282 10 N C -1.797 173.712 175.510 -0.002 0.000 1.037 10 N CA -1.775 51.275 53.050 -0.000 0.000 0.942 10 N CB 1.113 39.600 38.487 0.001 0.000 1.136 10 N HN 0.117 8.498 8.380 0.001 0.000 0.481 11 P HA 0.083 4.502 4.420 -0.002 0.000 0.263 11 P C -1.945 175.353 177.300 -0.003 0.000 1.195 11 P CA 0.510 63.609 63.100 -0.002 0.000 0.762 11 P CB 0.527 32.225 31.700 -0.002 0.000 0.799 12 S N 4.358 120.056 115.700 -0.003 0.000 2.577 12 S HA 0.241 4.709 4.470 -0.004 0.000 0.294 12 S C -1.960 172.639 174.600 -0.001 0.000 1.161 12 S CA -1.634 56.564 58.200 -0.003 0.000 1.143 12 S CB 0.643 63.840 63.200 -0.005 0.000 0.991 12 S HN -0.079 8.229 8.310 -0.002 0.000 0.475 13 P HA 0.020 4.442 4.420 0.003 0.000 0.273 13 P C 0.110 177.414 177.300 0.006 0.000 1.258 13 P CA -0.625 62.477 63.100 0.004 0.000 0.802 13 P CB 0.763 32.466 31.700 0.005 0.000 1.040 14 D N -1.556 118.849 120.400 0.009 0.000 2.144 14 D HA -0.241 4.404 4.640 0.007 0.000 0.200 14 D C 2.322 178.632 176.300 0.017 0.000 0.978 14 D CA 3.236 57.242 54.000 0.010 0.000 0.833 14 D CB -0.039 40.766 40.800 0.009 0.000 0.961 14 D HN 0.209 8.584 8.370 0.008 0.000 0.470 15 V N -0.562 119.367 119.914 0.025 0.000 2.667 15 V HA -0.296 4.134 4.120 0.044 -0.283 0.252 15 V C 2.267 178.388 176.094 0.045 0.000 1.065 15 V CA 2.714 65.040 62.300 0.044 0.000 1.083 15 V CB -0.079 31.782 31.823 0.063 0.000 0.692 15 V HN -0.227 7.976 8.190 0.022 0.000 0.468 16 L N -0.739 120.499 121.223 0.024 0.000 2.027 16 L HA -0.233 4.117 4.340 0.016 0.000 0.206 16 L C 2.003 178.880 176.870 0.011 0.000 1.074 16 L CA 3.054 57.902 54.840 0.014 0.000 0.745 16 L CB -1.113 40.947 42.059 0.002 0.000 0.898 16 L HN -0.357 7.759 8.230 0.018 0.125 0.433 17 E N -2.630 117.575 120.200 0.008 0.000 2.274 17 E HA -0.324 4.025 4.350 -0.002 0.000 0.194 17 E C 2.200 178.805 176.600 0.009 0.000 0.996 17 E CA 2.609 59.011 56.400 0.004 0.000 0.840 17 E CB -0.556 29.145 29.700 0.001 0.000 0.772 17 E HN -0.466 7.899 8.360 0.009 0.000 0.491 18 E N -0.544 119.667 120.200 0.018 0.000 2.112 18 E HA -0.219 4.139 4.350 0.013 0.000 0.190 18 E C 1.655 178.274 176.600 0.031 0.000 0.979 18 E CA 2.276 58.689 56.400 0.021 0.000 0.814 18 E CB -0.264 29.451 29.700 0.024 0.000 0.762 18 E HN -0.510 7.715 8.360 0.022 0.148 0.460 19 A N -0.276 122.572 122.820 0.047 0.000 1.897 19 A HA -0.171 4.197 4.320 0.079 0.000 0.215 19 A C 2.171 179.775 177.584 0.033 0.000 1.181 19 A CA 2.926 55.001 52.037 0.064 0.000 0.620 19 A CB -0.093 18.962 19.000 0.090 0.000 0.821 19 A HN -0.517 7.661 8.150 0.046 0.000 0.443 20 I N -6.899 113.678 120.570 0.011 0.000 2.928 20 I HA -0.369 3.792 4.170 -0.015 0.000 0.266 20 I C 1.392 177.503 176.117 -0.009 0.000 1.234 20 I CA 2.049 63.343 61.300 -0.011 0.000 1.483 20 I CB -0.757 37.226 38.000 -0.028 0.000 1.097 20 I HN -0.610 7.607 8.210 0.011 0.000 0.455 21 S N 1.026 116.727 115.700 0.000 0.000 2.345 21 S HA -0.323 4.144 4.470 -0.006 0.000 0.220 21 S C 1.837 176.439 174.600 0.003 0.000 1.031 21 S CA 3.630 61.830 58.200 -0.000 0.000 0.996 21 S CB -0.035 63.166 63.200 0.003 0.000 0.882 21 S HN -0.688 7.478 8.310 0.007 0.148 0.445 22 V N 1.884 121.804 119.914 0.010 0.000 2.490 22 V HA -0.324 3.802 4.120 0.010 0.000 0.250 22 V C 1.328 177.430 176.094 0.013 0.000 1.061 22 V CA 2.773 65.081 62.300 0.013 0.000 1.064 22 V CB -0.323 31.512 31.823 0.020 0.000 0.670 22 V HN -0.810 7.389 8.190 0.014 0.000 0.461 23 M N -3.028 116.579 119.600 0.012 0.000 2.213 23 M HA -0.305 4.186 4.480 0.018 0.000 0.263 23 M C 2.653 178.952 176.300 -0.002 0.000 1.062 23 M CA 3.636 58.940 55.300 0.008 0.000 1.105 23 M CB -0.512 32.087 32.600 -0.002 0.000 1.385 23 M HN -0.694 7.585 8.290 0.012 0.018 0.417 24 E N 0.152 120.348 120.200 -0.008 0.000 2.208 24 E HA -0.166 4.174 4.350 -0.017 0.000 0.193 24 E C 1.189 177.787 176.600 -0.003 0.000 0.988 24 E CA 1.821 58.215 56.400 -0.011 0.000 0.828 24 E CB -0.218 29.474 29.700 -0.014 0.000 0.763 24 E HN -0.393 7.825 8.360 -0.007 0.137 0.478 25 G N -2.392 106.409 108.800 0.002 0.000 2.985 25 G HA2 -0.038 3.924 3.960 0.003 0.000 0.209 25 G HA3 -0.038 3.925 3.960 0.006 0.000 0.209 25 G C -0.399 174.506 174.900 0.009 0.000 1.165 25 G CA -0.511 44.592 45.100 0.005 0.000 0.776 25 G HN -0.631 7.522 8.290 0.003 0.138 0.541 26 G N 1.422 110.229 108.800 0.011 0.000 2.324 26 G HA2 -0.375 3.684 3.960 0.019 0.000 0.292 26 G HA3 -0.375 3.594 3.960 0.016 0.000 0.292 26 G C -0.840 174.072 174.900 0.021 0.000 1.079 26 G CA 0.018 45.128 45.100 0.017 0.000 1.026 26 G HN -0.651 7.446 8.290 0.009 0.198 0.506 27 G N -2.416 106.398 108.800 0.023 0.000 2.685 27 G HA2 0.759 4.735 3.960 0.026 0.000 0.298 27 G HA3 0.759 4.733 3.960 0.023 0.000 0.298 27 G C -1.977 172.944 174.900 0.035 0.000 1.277 27 G CA -1.805 43.310 45.100 0.026 0.000 0.986 27 G HN -0.739 7.564 8.290 0.022 0.000 0.487 28 I N -0.035 120.557 120.570 0.037 0.000 2.385 28 I HA 0.205 4.406 4.170 0.052 0.000 0.294 28 I C -2.082 174.066 176.117 0.051 0.000 0.988 28 I CA -1.856 59.473 61.300 0.047 0.000 1.265 28 I CB 2.392 40.420 38.000 0.048 0.000 1.388 28 I HN -0.148 8.081 8.210 0.032 0.000 0.480 29 V N 6.430 126.384 119.914 0.068 0.000 2.495 29 V HA 0.515 4.823 4.120 0.051 -0.157 0.298 29 V C -0.691 175.464 176.094 0.101 0.000 1.031 29 V CA -2.212 60.135 62.300 0.078 0.000 0.871 29 V CB 1.193 33.082 31.823 0.109 0.000 0.988 29 V HN -0.482 7.752 8.190 0.073 0.000 0.432 30 I N 1.491 122.100 120.570 0.065 0.000 2.793 30 I HA 0.223 4.552 4.170 0.122 -0.086 0.313 30 I C -1.238 174.865 176.117 -0.024 0.000 0.998 30 I CA -1.590 59.758 61.300 0.079 0.000 1.140 30 I CB 2.357 40.454 38.000 0.161 0.000 1.327 30 I HN -0.278 7.945 8.210 0.022 0.000 0.491 31 Y N 1.005 121.242 120.300 -0.104 0.000 2.252 31 Y HA 0.164 4.577 4.550 -0.229 0.000 0.321 31 Y C -2.984 172.755 175.900 -0.268 0.000 1.208 31 Y CA -1.171 56.817 58.100 -0.187 0.000 1.258 31 Y CB 3.376 41.777 38.460 -0.098 0.000 1.235 31 Y HN 0.427 8.616 8.280 0.049 0.120 0.408 32 P HA 0.507 5.029 4.420 -0.215 -0.231 0.282 32 P C -0.999 176.243 177.300 -0.098 0.000 1.249 32 P CA -0.861 62.054 63.100 -0.309 0.000 0.806 32 P CB 1.236 32.562 31.700 -0.623 0.000 0.984 33 T N 2.227 116.744 114.554 -0.062 0.000 2.619 33 T HA 0.272 4.601 4.350 -0.035 0.000 0.244 33 T C 1.036 175.709 174.700 -0.045 0.000 0.893 33 T CA -2.091 59.982 62.100 -0.046 0.000 1.093 33 T CB 1.166 70.002 68.868 -0.054 0.000 1.567 33 T HN -0.180 8.026 8.240 -0.058 0.000 0.549 34 D N -1.226 119.141 120.400 -0.056 0.000 2.265 34 D HA -0.269 4.472 4.640 -0.039 -0.124 0.208 34 D C 0.587 176.867 176.300 -0.033 0.000 0.977 34 D CA 3.527 57.496 54.000 -0.052 0.000 0.871 34 D CB -0.646 40.104 40.800 -0.084 0.000 0.925 34 D HN 0.264 8.591 8.370 -0.072 0.000 0.485 35 T N -4.614 109.923 114.554 -0.029 0.000 2.759 35 T HA 0.076 4.531 4.350 0.003 -0.104 0.181 35 T C 0.568 175.280 174.700 0.020 0.000 0.682 35 T CA 0.636 62.735 62.100 -0.002 0.000 2.176 35 T CB 1.315 70.183 68.868 -0.000 0.000 2.720 35 T HN -0.515 7.652 8.240 -0.040 0.049 0.380 36 I N -2.893 117.700 120.570 0.039 0.000 3.861 36 I HA 0.088 4.316 4.170 0.097 0.000 0.262 36 I C -0.671 175.507 176.117 0.102 0.000 1.269 36 I CA -1.799 59.554 61.300 0.088 0.000 1.140 36 I CB 1.309 39.369 38.000 0.099 0.000 1.424 36 I HN -0.638 7.591 8.210 0.033 0.000 0.527 37 Y N 0.985 121.292 120.300 0.011 0.000 2.526 37 Y HA -0.109 4.453 4.550 0.020 0.000 0.330 37 Y C 0.179 176.095 175.900 0.027 0.000 1.156 37 Y CA 2.502 60.611 58.100 0.016 0.000 1.419 37 Y CB 0.515 38.977 38.460 0.004 0.000 1.250 37 Y HN 0.265 8.741 8.280 0.327 0.000 0.540 38 G N 1.753 110.589 108.800 0.060 0.000 2.735 38 G HA2 0.773 4.875 3.960 0.089 0.000 0.301 38 G HA3 0.773 4.833 3.960 0.050 -0.070 0.301 38 G C -2.205 172.760 174.900 0.108 0.000 1.279 38 G CA -1.718 43.429 45.100 0.078 0.000 1.019 38 G HN -0.107 8.102 8.290 -0.093 0.025 0.497 39 L N -1.705 119.576 121.223 0.096 0.000 2.408 39 L HA 0.380 4.888 4.340 0.120 -0.097 0.268 39 L C -1.735 175.190 176.870 0.092 0.000 0.986 39 L CA -0.499 54.402 54.840 0.102 0.000 0.820 39 L CB 4.836 46.947 42.059 0.088 0.000 1.303 39 L HN -0.245 8.031 8.230 0.077 0.000 0.411 40 G N 1.514 110.379 108.800 0.108 0.000 2.733 40 G HA2 0.694 5.059 3.960 0.070 0.000 0.289 40 G HA3 0.694 4.709 3.960 0.092 0.000 0.289 40 G C -3.187 171.767 174.900 0.090 0.000 1.473 40 G CA -0.337 44.818 45.100 0.090 0.000 1.123 40 G HN 0.941 9.198 8.290 0.123 0.107 0.544 41 V N 2.504 122.463 119.914 0.075 0.000 3.258 41 V HA 0.222 4.384 4.120 0.070 0.000 0.299 41 V C -2.471 173.668 176.094 0.075 0.000 1.376 41 V CA -2.169 60.173 62.300 0.071 0.000 1.063 41 V CB 3.757 35.620 31.823 0.066 0.000 1.103 41 V HN -0.540 7.693 8.190 0.071 0.000 0.451 42 N N 3.433 122.177 118.700 0.072 0.000 2.411 42 N HA -0.201 4.609 4.740 0.117 0.000 0.282 42 N C 0.706 176.274 175.510 0.096 0.000 1.322 42 N CA 1.804 54.910 53.050 0.092 0.000 0.943 42 N CB -0.014 38.518 38.487 0.074 0.000 1.266 42 N HN 0.538 8.954 8.380 0.060 0.000 0.486 43 A N 5.788 128.674 122.820 0.110 0.000 1.902 43 A HA -0.073 4.295 4.320 0.080 0.000 0.217 43 A C 0.127 177.763 177.584 0.087 0.000 1.181 43 A CA 2.354 54.447 52.037 0.094 0.000 0.623 43 A CB 0.026 19.084 19.000 0.098 0.000 0.818 43 A HN 0.006 8.232 8.150 0.127 0.000 0.443 44 L N -3.939 117.349 121.223 0.109 0.000 2.693 44 L HA 0.071 4.447 4.340 0.061 0.000 0.242 44 L C -0.543 176.376 176.870 0.081 0.000 1.157 44 L CA 0.009 54.902 54.840 0.089 0.000 0.929 44 L CB -2.190 39.934 42.059 0.108 0.000 1.103 44 L HN -0.033 8.284 8.230 0.146 0.000 0.430 45 D N -1.056 119.389 120.400 0.075 0.000 2.252 45 D HA 0.187 4.860 4.640 0.055 0.000 0.245 45 D C 0.114 176.441 176.300 0.045 0.000 1.009 45 D CA -0.354 53.681 54.000 0.058 0.000 0.870 45 D CB 2.683 43.517 40.800 0.057 0.000 1.251 45 D HN -0.752 7.438 8.370 0.080 0.228 0.460 46 E N 2.539 122.759 120.200 0.034 0.000 2.268 46 E HA -0.382 3.983 4.350 0.025 0.000 0.195 46 E C 0.623 177.241 176.600 0.030 0.000 0.995 46 E CA 3.546 59.962 56.400 0.026 0.000 0.836 46 E CB 0.027 29.738 29.700 0.018 0.000 0.763 46 E HN 0.500 8.880 8.360 0.033 0.000 0.491 47 D N -2.135 118.285 120.400 0.033 0.000 2.218 47 D HA -0.290 4.369 4.640 0.032 0.000 0.204 47 D C 1.265 177.591 176.300 0.044 0.000 0.976 47 D CA 2.844 56.865 54.000 0.036 0.000 0.853 47 D CB -0.771 40.049 40.800 0.034 0.000 0.939 47 D HN 0.211 8.565 8.370 0.034 0.037 0.481 48 A N -0.455 122.394 122.820 0.049 0.000 1.897 48 A HA -0.171 4.184 4.320 0.058 0.000 0.215 48 A C 1.789 179.409 177.584 0.060 0.000 1.181 48 A CA 3.235 55.306 52.037 0.057 0.000 0.620 48 A CB -0.422 18.614 19.000 0.061 0.000 0.821 48 A HN -0.407 7.633 8.150 0.048 0.138 0.443 49 V N -1.863 118.082 119.914 0.052 0.000 2.427 49 V HA -0.418 3.739 4.120 0.063 0.000 0.248 49 V C 1.954 178.087 176.094 0.064 0.000 1.051 49 V CA 3.336 65.667 62.300 0.051 0.000 1.048 49 V CB -0.960 30.878 31.823 0.026 0.000 0.666 49 V HN -0.779 7.353 8.190 0.045 0.085 0.456 50 R N -0.102 120.430 120.500 0.054 0.000 2.057 50 R HA -0.264 4.113 4.340 0.062 0.000 0.229 50 R C 2.484 178.842 176.300 0.097 0.000 1.136 50 R CA 3.460 59.599 56.100 0.065 0.000 0.952 50 R CB -0.035 30.290 30.300 0.043 0.000 0.848 50 R HN -0.507 7.775 8.270 0.044 0.014 0.430 51 R N -1.615 118.931 120.500 0.076 0.000 2.285 51 R HA -0.213 4.168 4.340 0.068 0.000 0.213 51 R C 2.335 178.683 176.300 0.080 0.000 1.068 51 R CA 2.076 58.219 56.100 0.071 0.000 1.004 51 R CB -0.626 29.708 30.300 0.057 0.000 0.873 51 R HN -0.327 7.981 8.270 0.064 0.000 0.467 52 L N 0.503 121.787 121.223 0.101 0.000 2.068 52 L HA -0.172 4.213 4.340 0.075 0.000 0.204 52 L C 0.841 177.790 176.870 0.133 0.000 1.076 52 L CA 3.354 58.257 54.840 0.105 0.000 0.753 52 L CB -0.688 41.437 42.059 0.109 0.000 0.910 52 L HN -0.470 7.649 8.230 0.103 0.173 0.439 53 F N -0.439 119.513 119.950 0.003 0.000 2.269 53 F HA -0.380 4.142 4.527 -0.009 0.000 0.301 53 F C 0.959 176.757 175.800 -0.003 0.000 1.082 53 F CA 3.014 61.011 58.000 -0.005 0.000 1.360 53 F CB 0.056 39.051 39.000 -0.009 0.000 1.041 53 F HN -0.753 7.724 8.300 0.294 0.000 0.512 54 R N -3.109 117.444 120.500 0.088 0.000 2.066 54 R HA -0.284 4.061 4.340 0.007 0.000 0.232 54 R C 2.292 178.563 176.300 -0.048 0.000 1.131 54 R CA 2.224 58.333 56.100 0.015 0.000 0.955 54 R CB -0.455 29.871 30.300 0.044 0.000 0.851 54 R HN -0.711 7.520 8.270 0.144 0.126 0.432 55 V N -1.228 118.668 119.914 -0.029 0.000 2.283 55 V HA -0.403 3.696 4.120 -0.035 0.000 0.243 55 V C 0.830 176.875 176.094 -0.082 0.000 1.039 55 V CA 3.176 65.454 62.300 -0.038 0.000 1.016 55 V CB 0.185 32.005 31.823 -0.005 0.000 0.650 55 V HN -0.854 7.339 8.190 0.005 0.000 0.449 56 K N -2.540 117.795 120.400 -0.107 0.000 1.992 56 K HA -0.111 4.146 4.320 -0.106 0.000 0.210 56 K C 0.818 177.242 176.600 -0.295 0.000 1.036 56 K CA 1.404 57.602 56.287 -0.149 0.000 0.946 56 K CB 1.090 33.528 32.500 -0.103 0.000 0.742 56 K HN -0.186 8.019 8.250 -0.076 0.000 0.442 57 G N -1.362 107.085 108.800 -0.589 0.000 2.295 57 G HA2 -0.225 2.393 3.960 -2.249 0.000 0.287 57 G HA3 -0.225 3.285 3.960 -0.724 0.016 0.287 57 G C -0.624 173.917 174.900 -0.598 0.000 1.055 57 G CA 0.652 45.142 45.100 -1.017 0.000 0.922 57 G HN 0.242 8.195 8.290 -0.562 0.000 0.503 58 R N -0.584 119.681 120.500 -0.391 0.000 1.933 58 R HA 0.182 4.430 4.340 -0.153 0.000 0.167 58 R C -0.140 176.120 176.300 -0.067 0.000 1.823 58 R CA 1.531 57.531 56.100 -0.167 0.000 1.418 58 R CB 0.711 30.952 30.300 -0.098 0.000 1.174 58 R HN 0.180 8.220 8.270 -0.385 0.000 0.476 59 S N -0.580 115.105 115.700 -0.025 0.000 2.614 59 S HA 0.427 4.865 4.470 -0.054 0.000 0.288 59 S C -2.086 172.490 174.600 -0.041 0.000 1.137 59 S CA -2.107 56.063 58.200 -0.050 0.000 0.992 59 S CB 1.974 65.139 63.200 -0.057 0.000 1.026 59 S HN -0.294 7.998 8.310 -0.031 0.000 0.486 60 P HA 0.144 4.613 4.420 0.082 0.000 0.255 60 P C -1.422 175.850 177.300 -0.047 0.000 1.427 60 P CA 0.363 63.422 63.100 -0.069 0.000 0.863 60 P CB 0.260 31.888 31.700 -0.120 0.000 1.444 61 H N -3.602 115.511 119.070 0.072 0.000 2.705 61 H HA 0.192 4.771 4.556 0.038 0.000 0.269 61 H C 0.410 175.764 175.328 0.043 0.000 0.998 61 H CA -1.610 54.466 56.048 0.047 0.000 1.193 61 H CB 0.727 30.512 29.762 0.039 0.000 1.485 61 H HN 0.093 8.153 8.280 -0.151 0.130 0.521 62 K N 2.126 122.605 120.400 0.133 0.000 2.174 62 K HA 0.297 4.673 4.320 0.093 0.000 0.275 62 K C -1.721 174.926 176.600 0.078 0.000 1.015 62 K CA -1.832 54.510 56.287 0.092 0.000 0.933 62 K CB 0.228 32.767 32.500 0.065 0.000 1.025 62 K HN -0.829 7.479 8.250 0.096 0.000 0.463 63 P HA -0.099 4.463 4.420 0.059 -0.107 0.273 63 P C -0.873 176.459 177.300 0.054 0.000 1.250 63 P CA -0.489 62.645 63.100 0.057 0.000 0.793 63 P CB 0.864 32.593 31.700 0.048 0.000 1.011 64 V N -4.607 115.339 119.914 0.053 0.000 2.919 64 V HA 0.394 4.545 4.120 0.051 0.000 0.316 64 V C -1.442 174.682 176.094 0.049 0.000 1.077 64 V CA -2.423 59.909 62.300 0.052 0.000 0.977 64 V CB 2.670 34.527 31.823 0.057 0.000 1.039 64 V HN -0.221 8.000 8.190 0.052 0.000 0.441 65 S N 0.988 116.716 115.700 0.047 0.000 2.489 65 S HA 0.194 4.734 4.470 0.044 -0.044 0.291 65 S C -0.523 174.104 174.600 0.046 0.000 1.151 65 S CA -1.291 56.936 58.200 0.044 0.000 1.082 65 S CB 0.477 63.701 63.200 0.040 0.000 1.019 65 S HN 0.147 8.485 8.310 0.047 0.000 0.492 66 I N 1.207 121.803 120.570 0.044 0.000 3.133 66 I HA 0.683 5.032 4.170 0.048 -0.150 0.311 66 I C -1.642 174.490 176.117 0.025 0.000 1.072 66 I CA -2.550 58.776 61.300 0.044 0.000 1.015 66 I CB 3.904 41.940 38.000 0.060 0.000 1.233 66 I HN 0.582 8.679 8.210 0.042 0.139 0.473 67 C N 0.664 119.974 119.300 0.017 0.000 2.507 67 C HA 0.722 5.331 4.460 -0.013 -0.157 0.319 67 C C -2.085 172.886 174.990 -0.032 0.000 1.208 67 C CA -2.547 56.465 59.018 -0.010 0.000 1.619 67 C CB 2.188 29.919 27.740 -0.015 0.000 2.230 67 C HN 0.431 8.577 8.230 0.029 0.102 0.492 68 V N 5.254 125.134 119.914 -0.056 0.000 3.203 68 V HA 0.432 4.495 4.120 -0.094 0.000 0.305 68 V C -1.448 174.594 176.094 -0.087 0.000 1.361 68 V CA -2.832 59.412 62.300 -0.092 0.000 1.066 68 V CB 4.207 35.946 31.823 -0.140 0.000 1.085 68 V HN -0.378 7.782 8.190 -0.050 0.000 0.456 69 S N 1.553 117.193 115.700 -0.100 0.000 2.387 69 S HA -0.001 4.425 4.470 -0.074 0.000 0.221 69 S C -0.371 174.186 174.600 -0.072 0.000 1.041 69 S CA 1.478 59.629 58.200 -0.081 0.000 0.959 69 S CB 0.400 63.553 63.200 -0.078 0.000 0.843 69 S HN 0.421 8.655 8.310 -0.126 0.000 0.488 70 C N -3.253 115.997 119.300 -0.085 0.000 3.284 70 C HA 0.108 4.538 4.460 -0.049 0.000 0.348 70 C C 0.673 175.616 174.990 -0.080 0.000 1.448 70 C CA -1.724 57.255 59.018 -0.065 0.000 1.223 70 C CB 2.494 30.204 27.740 -0.050 0.000 1.588 70 C HN -0.617 7.545 8.230 -0.113 0.000 0.451 71 V N 1.085 120.968 119.914 -0.052 0.000 2.469 71 V HA -0.311 3.777 4.120 -0.053 0.000 0.251 71 V C 0.526 176.583 176.094 -0.061 0.000 1.064 71 V CA 3.922 66.193 62.300 -0.048 0.000 1.066 71 V CB 0.278 32.089 31.823 -0.021 0.000 0.667 71 V HN 0.371 8.539 8.190 -0.036 0.000 0.461 72 D N -4.285 116.080 120.400 -0.058 0.000 2.219 72 D HA -0.227 4.392 4.640 -0.035 0.000 0.205 72 D C 0.868 177.111 176.300 -0.095 0.000 0.970 72 D CA 2.599 56.566 54.000 -0.054 0.000 0.851 72 D CB 0.102 40.878 40.800 -0.040 0.000 0.943 72 D HN 0.061 8.377 8.370 -0.051 0.023 0.488 73 E N -4.311 115.798 120.200 -0.152 0.000 2.299 73 E HA -0.052 4.179 4.350 -0.199 0.000 0.193 73 E C 0.451 176.735 176.600 -0.528 0.000 0.998 73 E CA 0.208 56.454 56.400 -0.257 0.000 0.851 73 E CB 0.639 30.198 29.700 -0.235 0.000 0.795 73 E HN -0.333 7.790 8.360 -0.132 0.158 0.492 74 I N -7.291 113.024 120.570 -0.426 0.000 3.207 74 I HA 0.496 3.788 4.170 -1.464 0.000 0.343 74 I C -1.986 174.126 176.117 -0.008 0.000 1.378 74 I CA -3.281 57.706 61.300 -0.522 0.000 1.004 74 I CB -0.996 36.833 38.000 -0.285 0.000 1.836 74 I HN -0.955 6.965 8.210 -0.248 0.141 0.513 75 P HA -0.155 4.310 4.420 0.076 0.000 0.202 75 P C 1.173 178.601 177.300 0.213 0.000 1.189 75 P CA 2.131 65.316 63.100 0.142 0.000 0.921 75 P CB 0.174 31.944 31.700 0.116 0.000 0.756 76 R N -3.266 117.380 120.500 0.244 0.000 2.346 76 R HA -0.095 4.283 4.340 0.064 0.000 0.208 76 R C -0.793 175.532 176.300 0.042 0.000 1.052 76 R CA 0.769 56.926 56.100 0.095 0.000 1.116 76 R CB -2.038 28.256 30.300 -0.010 0.000 1.003 76 R HN 0.268 8.704 8.270 0.277 0.000 0.482 77 F N -1.951 117.983 119.950 -0.028 0.000 2.317 77 F HA 0.039 4.546 4.527 -0.034 0.000 0.290 77 F C -0.399 175.391 175.800 -0.017 0.000 1.075 77 F CA 1.932 59.914 58.000 -0.028 0.000 1.380 77 F CB 0.995 39.976 39.000 -0.032 0.000 1.093 77 F HN -0.828 7.549 8.300 0.540 0.247 0.524 78 S N -3.214 112.599 115.700 0.189 0.000 2.810 78 S HA 0.218 4.736 4.470 0.080 0.000 0.315 78 S C -1.720 172.919 174.600 0.065 0.000 1.138 78 S CA -1.732 56.528 58.200 0.099 0.000 0.889 78 S CB 2.380 65.631 63.200 0.085 0.000 1.236 78 S HN -0.759 7.682 8.310 0.219 0.000 0.548 79 R N 1.406 121.933 120.500 0.044 0.000 2.272 79 R HA 0.546 4.905 4.340 0.031 0.000 0.323 79 R C -2.145 174.171 176.300 0.026 0.000 1.002 79 R CA -2.462 53.656 56.100 0.031 0.000 0.900 79 R CB 1.476 31.789 30.300 0.022 0.000 1.151 79 R HN -0.296 7.999 8.270 0.042 0.000 0.507 80 P HA 0.461 4.892 4.420 0.017 0.000 0.307 80 P C -1.657 175.651 177.300 0.013 0.000 1.307 80 P CA -1.091 62.020 63.100 0.018 0.000 0.814 80 P CB 1.584 33.295 31.700 0.019 0.000 1.311 81 S N -1.612 114.094 115.700 0.010 0.000 2.776 81 S HA 0.148 4.623 4.470 0.008 0.000 0.292 81 S C 0.864 175.468 174.600 0.005 0.000 1.187 81 S CA -1.323 56.881 58.200 0.007 0.000 0.834 81 S CB 1.370 64.574 63.200 0.006 0.000 1.199 81 S HN -0.369 7.947 8.310 0.009 0.000 0.514 82 G N 2.205 111.007 108.800 0.004 0.000 2.670 82 G HA2 -0.150 3.812 3.960 0.003 0.000 0.215 82 G HA3 -0.150 3.811 3.960 0.002 0.000 0.215 82 G C 0.536 175.437 174.900 0.001 0.000 1.359 82 G CA 1.619 46.721 45.100 0.002 0.000 0.897 82 G HN 0.631 8.923 8.290 0.004 0.000 0.552 83 D N 1.843 122.243 120.400 0.000 0.000 2.221 83 D HA -0.296 4.343 4.640 -0.002 0.000 0.204 83 D C 1.402 177.701 176.300 -0.002 0.000 0.982 83 D CA 2.911 56.910 54.000 -0.001 0.000 0.857 83 D CB -0.437 40.362 40.800 -0.002 0.000 0.934 83 D HN 0.393 8.763 8.370 0.000 0.000 0.475 84 A N -1.816 121.004 122.820 -0.000 0.000 1.858 84 A HA -0.276 4.043 4.320 -0.001 0.000 0.216 84 A C 1.781 179.365 177.584 0.001 0.000 1.190 84 A CA 2.802 54.839 52.037 0.000 0.000 0.617 84 A CB -0.293 18.709 19.000 0.003 0.000 0.827 84 A HN 0.221 8.333 8.150 0.001 0.039 0.443 85 M N -2.882 116.720 119.600 0.002 0.000 2.374 85 M HA -0.201 4.281 4.480 0.004 0.000 0.264 85 M C 2.440 178.741 176.300 0.001 0.000 1.067 85 M CA 0.575 55.877 55.300 0.002 0.000 1.103 85 M CB -1.427 31.174 32.600 0.003 0.000 1.402 85 M HN -0.520 7.772 8.290 0.003 0.000 0.444 86 E N 0.302 120.501 120.200 -0.001 0.000 2.072 86 E HA -0.295 4.054 4.350 -0.001 0.000 0.190 86 E C 2.632 179.229 176.600 -0.005 0.000 0.982 86 E CA 2.803 59.202 56.400 -0.002 0.000 0.803 86 E CB -0.200 29.499 29.700 -0.003 0.000 0.755 86 E HN -0.521 7.680 8.360 -0.001 0.158 0.453 87 L N -0.544 120.674 121.223 -0.008 0.000 2.046 87 L HA -0.268 4.062 4.340 -0.016 0.000 0.208 87 L C 2.016 178.876 176.870 -0.016 0.000 1.077 87 L CA 3.059 57.891 54.840 -0.014 0.000 0.747 87 L CB -0.249 41.801 42.059 -0.016 0.000 0.896 87 L HN -0.364 7.862 8.230 -0.006 0.000 0.432 88 M N -2.482 117.114 119.600 -0.007 0.000 2.200 88 M HA -0.209 4.267 4.480 -0.007 0.000 0.265 88 M C 1.527 177.833 176.300 0.012 0.000 1.066 88 M CA 1.491 56.792 55.300 0.002 0.000 1.127 88 M CB -0.289 32.318 32.600 0.013 0.000 1.379 88 M HN -0.693 7.595 8.290 -0.004 0.000 0.420 89 E N -3.268 116.936 120.200 0.007 0.000 2.401 89 E HA -0.314 4.045 4.350 0.013 0.000 0.199 89 E C 1.863 178.468 176.600 0.009 0.000 1.023 89 E CA 1.998 58.404 56.400 0.009 0.000 0.859 89 E CB -0.139 29.563 29.700 0.004 0.000 0.780 89 E HN -0.378 7.909 8.360 0.003 0.075 0.523 90 R N -1.461 119.041 120.500 0.003 0.000 2.052 90 R HA -0.182 4.159 4.340 0.001 0.000 0.226 90 R C 0.966 177.270 176.300 0.007 0.000 1.145 90 R CA 2.481 58.581 56.100 -0.001 0.000 0.952 90 R CB 0.532 30.824 30.300 -0.013 0.000 0.847 90 R HN -0.675 7.407 8.270 -0.002 0.187 0.431 91 I N -5.016 115.556 120.570 0.004 0.000 3.010 91 I HA 0.227 4.421 4.170 0.041 0.000 0.330 91 I C -1.791 174.400 176.117 0.123 0.000 1.334 91 I CA -0.944 60.372 61.300 0.026 0.000 0.945 91 I CB -1.311 36.650 38.000 -0.064 0.000 2.027 91 I HN -0.530 7.674 8.210 -0.010 0.000 0.564 92 L N -1.607 119.682 121.223 0.110 0.000 2.371 92 L HA 0.617 5.100 4.340 0.238 0.000 0.262 92 L C -1.486 175.428 176.870 0.073 0.000 1.006 92 L CA -3.254 51.666 54.840 0.133 0.000 0.818 92 L CB -0.768 41.344 42.059 0.089 0.000 1.354 92 L HN -0.708 7.562 8.230 0.067 0.000 0.415 93 P HA 0.242 4.697 4.420 0.059 0.000 0.337 93 P C -1.080 176.215 177.300 -0.007 0.000 1.340 93 P CA -0.365 62.750 63.100 0.025 0.000 0.764 93 P CB 1.532 33.212 31.700 -0.034 0.000 1.718 94 G N -3.357 105.296 108.800 -0.244 0.000 2.356 94 G HA2 -0.031 3.668 3.960 -0.435 0.000 0.300 94 G HA3 -0.031 3.195 3.960 -1.224 0.000 0.300 94 G C -3.121 171.263 174.900 -0.860 0.000 1.331 94 G CA 0.124 44.801 45.100 -0.705 0.000 0.905 94 G HN -0.587 7.587 8.290 -0.193 0.000 0.587 95 P HA 0.124 4.363 4.420 -0.302 0.000 0.258 95 P C -2.193 174.893 177.300 -0.356 0.000 1.559 95 P CA -0.005 62.809 63.100 -0.477 0.000 0.855 95 P CB -1.163 30.376 31.700 -0.268 0.000 1.594 96 Y N -3.734 116.565 120.300 -0.001 0.000 2.446 96 Y HA 0.446 5.181 4.550 0.004 -0.182 0.338 96 Y C -0.409 175.491 175.900 0.000 0.000 1.055 96 Y CA -3.138 54.963 58.100 0.001 0.000 1.101 96 Y CB 1.655 40.116 38.460 0.000 0.000 1.221 96 Y HN -0.758 6.853 8.280 -0.899 0.129 0.460 97 T N 2.262 116.905 114.554 0.148 0.000 2.875 97 T HA 0.130 4.517 4.350 0.062 0.000 0.284 97 T C -1.191 173.560 174.700 0.085 0.000 0.995 97 T CA -1.089 61.062 62.100 0.085 0.000 1.060 97 T CB 1.167 70.070 68.868 0.059 0.000 0.967 97 T HN -0.089 8.246 8.240 0.159 0.000 0.476 98 V N 6.426 126.377 119.914 0.062 0.000 2.326 98 V HA 0.470 4.755 4.120 0.051 -0.134 0.281 98 V C -1.148 174.968 176.094 0.037 0.000 1.015 98 V CA -2.929 59.401 62.300 0.049 0.000 0.823 98 V CB -0.125 31.725 31.823 0.045 0.000 1.009 98 V HN 0.483 8.604 8.190 0.050 0.099 0.436 99 V N 7.999 127.933 119.914 0.034 0.000 2.407 99 V HA 0.025 4.165 4.120 0.033 0.000 0.278 99 V C -1.125 174.986 176.094 0.027 0.000 1.037 99 V CA -0.051 62.268 62.300 0.031 0.000 0.900 99 V CB 0.527 32.368 31.823 0.030 0.000 0.983 99 V HN 0.382 8.487 8.190 0.034 0.104 0.459 100 L N 4.727 125.967 121.223 0.029 0.000 2.171 100 L HA 0.585 5.113 4.340 0.022 -0.175 0.253 100 L C -0.747 176.140 176.870 0.028 0.000 1.054 100 L CA -2.502 52.354 54.840 0.026 0.000 0.927 100 L CB 4.217 46.293 42.059 0.028 0.000 1.513 100 L HN -0.061 8.188 8.230 0.032 0.000 0.471 101 E N -1.744 118.471 120.200 0.026 0.000 2.605 101 E HA 0.010 4.374 4.350 0.023 0.000 0.255 101 E C -0.216 176.402 176.600 0.029 0.000 1.369 101 E CA 0.704 57.119 56.400 0.024 0.000 1.017 101 E CB 1.148 30.860 29.700 0.019 0.000 1.086 101 E HN -0.003 8.371 8.360 0.024 0.000 0.605 102 R N -1.686 118.829 120.500 0.024 0.000 2.562 102 R HA 0.186 4.546 4.340 0.034 0.000 0.298 102 R C -0.838 175.471 176.300 0.015 0.000 0.961 102 R CA -0.718 55.397 56.100 0.024 0.000 0.881 102 R CB 1.665 31.978 30.300 0.021 0.000 1.159 102 R HN -0.352 7.930 8.270 0.020 0.000 0.450 103 N N 2.212 120.919 118.700 0.013 0.000 2.294 103 N HA -0.074 4.668 4.740 0.003 0.000 0.275 103 N C 0.965 176.466 175.510 -0.016 0.000 1.291 103 N CA -0.601 52.448 53.050 -0.002 0.000 0.933 103 N CB 1.021 39.501 38.487 -0.012 0.000 1.096 103 N HN -0.034 8.359 8.380 0.021 0.000 0.525 104 E N 0.682 120.865 120.200 -0.028 0.000 2.528 104 E HA -0.065 4.272 4.350 -0.022 0.000 0.237 104 E C -1.206 175.369 176.600 -0.042 0.000 1.408 104 E CA -0.043 56.339 56.400 -0.031 0.000 1.571 104 E CB -1.619 28.062 29.700 -0.032 0.000 1.395 104 E HN 0.313 8.654 8.360 -0.032 0.000 0.438 105 L N 0.549 121.747 121.223 -0.041 0.000 2.313 105 L HA -0.032 4.268 4.340 -0.067 0.000 0.282 105 L C 0.373 177.225 176.870 -0.030 0.000 1.092 105 L CA -0.154 54.657 54.840 -0.047 0.000 0.831 105 L CB 0.511 42.543 42.059 -0.044 0.000 1.159 105 L HN -0.380 7.711 8.230 -0.030 0.120 0.442 106 I N 6.112 126.663 120.570 -0.032 0.000 2.193 106 I HA -0.090 4.070 4.170 -0.017 0.000 0.240 106 I C -1.745 174.365 176.117 -0.013 0.000 1.084 106 I CA 1.611 62.898 61.300 -0.021 0.000 1.365 106 I CB -1.601 36.386 38.000 -0.023 0.000 1.064 106 I HN 0.408 8.593 8.210 -0.043 0.000 0.410 107 P HA -0.077 4.342 4.420 -0.003 0.000 0.250 107 P C -0.453 176.850 177.300 0.005 0.000 1.161 107 P CA 0.582 63.680 63.100 -0.004 0.000 0.863 107 P CB -0.406 31.291 31.700 -0.005 0.000 0.827 108 D N 3.239 123.644 120.400 0.009 0.000 2.349 108 D HA 0.015 4.667 4.640 0.020 0.000 0.224 108 D C 1.736 178.053 176.300 0.028 0.000 1.029 108 D CA 1.648 55.660 54.000 0.019 0.000 0.879 108 D CB 0.199 41.011 40.800 0.020 0.000 0.906 108 D HN 0.144 8.518 8.370 0.006 0.000 0.528 109 V N -5.196 114.731 119.914 0.022 0.000 2.809 109 V HA -0.175 3.960 4.120 0.024 0.000 0.256 109 V C 0.044 176.160 176.094 0.037 0.000 1.080 109 V CA 2.871 65.186 62.300 0.025 0.000 1.102 109 V CB -0.537 31.296 31.823 0.015 0.000 0.705 109 V HN -0.224 7.902 8.190 0.015 0.073 0.475 110 I N -7.184 113.407 120.570 0.036 0.000 3.718 110 I HA 0.148 4.347 4.170 0.049 0.000 0.297 110 I C 1.216 177.359 176.117 0.043 0.000 1.220 110 I CA 1.054 62.380 61.300 0.043 0.000 1.381 110 I CB 0.670 38.695 38.000 0.041 0.000 1.238 110 I HN -1.095 7.093 8.210 0.028 0.040 0.448 111 T N -1.744 112.831 114.554 0.036 0.000 3.055 111 T HA -0.079 4.293 4.350 0.037 0.000 0.265 111 T C 0.860 175.586 174.700 0.044 0.000 1.111 111 T CA 0.773 62.894 62.100 0.035 0.000 1.118 111 T CB 0.445 69.327 68.868 0.024 0.000 0.909 111 T HN -0.742 7.516 8.240 0.030 0.000 0.501 112 G N 0.233 109.064 108.800 0.052 0.000 2.681 112 G HA2 -0.342 3.691 3.960 0.084 0.000 0.220 112 G HA3 -0.342 3.663 3.960 0.075 0.000 0.220 112 G C -0.237 174.707 174.900 0.074 0.000 1.353 112 G CA -0.266 44.877 45.100 0.073 0.000 0.872 112 G HN -0.592 7.597 8.290 0.048 0.130 0.557 113 G N -0.593 108.268 108.800 0.102 0.000 3.026 113 G HA2 0.002 3.990 3.960 0.046 0.000 0.208 113 G HA3 0.002 4.000 3.960 0.063 0.000 0.208 113 G C -0.384 174.530 174.900 0.023 0.000 1.169 113 G CA 0.064 45.201 45.100 0.061 0.000 0.788 113 G HN -0.127 8.113 8.290 0.137 0.131 0.533 114 S N -0.372 115.349 115.700 0.035 0.000 2.806 114 S HA 0.233 4.709 4.470 0.010 0.000 0.315 114 S C -0.664 173.948 174.600 0.020 0.000 1.127 114 S CA -1.006 57.207 58.200 0.022 0.000 0.918 114 S CB 2.102 65.319 63.200 0.028 0.000 1.240 114 S HN -0.746 7.501 8.310 0.049 0.093 0.552 115 S N 0.998 116.708 115.700 0.015 0.000 2.560 115 S HA 0.187 4.666 4.470 0.014 0.000 0.227 115 S C -1.711 172.900 174.600 0.018 0.000 1.280 115 S CA 0.045 58.253 58.200 0.014 0.000 1.260 115 S CB -0.303 62.902 63.200 0.008 0.000 1.002 115 S HN 0.242 8.561 8.310 0.014 0.000 0.509 116 R N -0.360 120.154 120.500 0.024 0.000 2.698 116 R HA 0.160 4.591 4.340 0.026 -0.075 0.275 116 R C -2.490 173.831 176.300 0.034 0.000 1.001 116 R CA -0.381 55.736 56.100 0.028 0.000 0.896 116 R CB 4.314 34.630 30.300 0.027 0.000 1.218 116 R HN -0.822 7.393 8.270 0.027 0.071 0.462 117 V N -0.410 119.526 119.914 0.036 0.000 2.841 117 V HA 0.281 4.427 4.120 0.043 0.000 0.310 117 V C -1.695 174.425 176.094 0.042 0.000 1.090 117 V CA -1.169 61.156 62.300 0.042 0.000 0.930 117 V CB 4.403 36.255 31.823 0.049 0.000 1.014 117 V HN 0.160 8.370 8.190 0.034 0.000 0.425 118 G N 2.694 111.519 108.800 0.043 0.000 2.437 118 G HA2 0.822 4.804 3.960 0.037 0.000 0.319 118 G HA3 0.822 4.805 3.960 0.039 0.000 0.319 118 G C -1.668 173.256 174.900 0.039 0.000 1.158 118 G CA -1.866 43.258 45.100 0.040 0.000 0.899 118 G HN 0.250 8.567 8.290 0.045 0.000 0.502 119 I N -1.523 119.067 120.570 0.034 0.000 3.095 119 I HA 0.588 4.967 4.170 0.026 -0.194 0.310 119 I C -1.588 174.542 176.117 0.022 0.000 1.196 119 I CA -1.407 59.908 61.300 0.025 0.000 0.985 119 I CB 5.183 43.193 38.000 0.017 0.000 1.250 119 I HN 0.089 8.229 8.210 0.034 0.090 0.446 120 R N 0.915 121.420 120.500 0.009 0.000 2.522 120 R HA 0.317 4.667 4.340 0.017 0.000 0.283 120 R C -2.407 173.882 176.300 -0.018 0.000 1.074 120 R CA -0.615 55.487 56.100 0.003 0.000 0.925 120 R CB 4.189 34.491 30.300 0.003 0.000 1.205 120 R HN 0.165 8.435 8.270 0.001 0.000 0.436 121 V N 7.148 127.050 119.914 -0.021 0.000 2.220 121 V HA 0.683 4.774 4.120 -0.048 0.000 0.265 121 V C -1.956 174.092 176.094 -0.077 0.000 1.078 121 V CA -4.395 57.880 62.300 -0.042 0.000 0.872 121 V CB -0.933 30.877 31.823 -0.020 0.000 1.121 121 V HN -0.013 8.174 8.190 -0.004 0.000 0.460 122 P HA 0.175 4.516 4.420 -0.132 0.000 0.279 122 P C -0.652 176.583 177.300 -0.108 0.000 1.282 122 P CA -0.949 62.087 63.100 -0.107 0.000 0.788 122 P CB 1.279 32.924 31.700 -0.091 0.000 1.139 123 D N -2.403 117.932 120.400 -0.108 0.000 2.328 123 D HA 0.022 4.609 4.640 -0.088 0.000 0.221 123 D C -0.824 175.425 176.300 -0.085 0.000 1.072 123 D CA 0.766 54.711 54.000 -0.092 0.000 0.850 123 D CB 0.337 41.085 40.800 -0.088 0.000 0.922 123 D HN 0.160 8.464 8.370 -0.110 0.000 0.516 124 D N 0.121 120.458 120.400 -0.106 0.000 2.342 124 D HA -0.078 4.497 4.640 -0.109 0.000 0.260 124 D C 0.559 176.781 176.300 -0.131 0.000 1.278 124 D CA 0.734 54.652 54.000 -0.136 0.000 0.910 124 D CB 0.037 40.702 40.800 -0.225 0.000 1.079 124 D HN -0.390 7.826 8.370 -0.110 0.088 0.496 125 E N 6.352 126.494 120.200 -0.098 0.000 2.058 125 E HA -0.399 3.908 4.350 -0.072 0.000 0.194 125 E C 1.260 177.802 176.600 -0.095 0.000 0.997 125 E CA 3.363 59.716 56.400 -0.079 0.000 0.801 125 E CB 0.293 29.961 29.700 -0.053 0.000 0.746 125 E HN 0.027 8.339 8.360 -0.081 0.000 0.450 126 I N -0.577 119.921 120.570 -0.119 0.000 2.142 126 I HA -0.299 3.822 4.170 -0.083 0.000 0.240 126 I C 2.023 178.039 176.117 -0.167 0.000 1.078 126 I CA 2.716 63.940 61.300 -0.127 0.000 1.343 126 I CB -1.782 36.140 38.000 -0.130 0.000 1.046 126 I HN -0.131 8.008 8.210 -0.118 0.000 0.405 127 C N -1.122 118.017 119.300 -0.270 0.000 2.422 127 C HA -0.297 4.025 4.460 -0.231 0.000 0.286 127 C C 2.584 177.486 174.990 -0.146 0.000 1.412 127 C CA 2.763 61.630 59.018 -0.253 0.000 1.786 127 C CB -1.354 26.175 27.740 -0.352 0.000 1.835 127 C HN 0.063 8.087 8.230 -0.344 0.000 0.533 128 R N -0.982 119.443 120.500 -0.125 0.000 2.090 128 R HA -0.240 4.047 4.340 -0.088 0.000 0.228 128 R C 2.192 178.451 176.300 -0.068 0.000 1.110 128 R CA 3.420 59.466 56.100 -0.089 0.000 0.973 128 R CB -0.244 30.008 30.300 -0.079 0.000 0.869 128 R HN -0.320 7.690 8.270 -0.137 0.177 0.440 129 R N -0.200 120.263 120.500 -0.062 0.000 2.057 129 R HA -0.222 4.097 4.340 -0.035 0.000 0.229 129 R C 2.577 178.863 176.300 -0.023 0.000 1.136 129 R CA 3.086 59.162 56.100 -0.039 0.000 0.952 129 R CB -0.508 29.772 30.300 -0.034 0.000 0.848 129 R HN -0.553 7.572 8.270 -0.075 0.100 0.430 130 I N -1.314 119.239 120.570 -0.028 0.000 2.179 130 I HA -0.411 3.772 4.170 0.022 0.000 0.242 130 I C 1.704 177.838 176.117 0.029 0.000 1.088 130 I CA 2.201 63.504 61.300 0.003 0.000 1.357 130 I CB -0.970 37.022 38.000 -0.014 0.000 1.051 130 I HN -0.652 7.528 8.210 -0.050 0.000 0.409 131 A N -2.343 120.470 122.820 -0.011 0.000 2.019 131 A HA -0.184 4.363 4.320 0.023 -0.214 0.219 131 A C 2.417 179.972 177.584 -0.050 0.000 1.164 131 A CA 2.338 54.365 52.037 -0.017 0.000 0.644 131 A CB -0.672 18.299 19.000 -0.048 0.000 0.805 131 A HN -0.457 7.668 8.150 -0.041 0.000 0.449 132 A N -1.165 121.624 122.820 -0.051 0.000 1.859 132 A HA -0.379 3.873 4.320 -0.113 0.000 0.217 132 A C 1.023 178.564 177.584 -0.071 0.000 1.198 132 A CA 2.570 54.562 52.037 -0.075 0.000 0.629 132 A CB -0.406 18.565 19.000 -0.049 0.000 0.830 132 A HN -0.577 7.414 8.150 -0.040 0.136 0.446 133 R N -3.224 117.284 120.500 0.013 0.000 2.062 133 R HA -0.172 4.186 4.340 0.030 0.000 0.213 133 R C 1.005 177.367 176.300 0.104 0.000 1.214 133 R CA 2.053 58.199 56.100 0.076 0.000 0.951 133 R CB 0.704 31.104 30.300 0.166 0.000 0.804 133 R HN -0.926 7.362 8.270 0.031 0.000 0.473 134 F N -0.741 119.228 119.950 0.032 0.000 2.467 134 F HA 0.162 4.766 4.527 0.129 0.000 0.362 134 F C -2.169 173.662 175.800 0.053 0.000 1.090 134 F CA -2.073 55.969 58.000 0.070 0.000 1.202 134 F CB 0.545 39.576 39.000 0.051 0.000 1.113 134 F HN -0.636 7.905 8.300 0.400 0.000 0.541 135 P HA 0.030 4.477 4.420 0.045 0.000 0.274 135 P C -1.369 176.021 177.300 0.150 0.000 1.231 135 P CA -0.469 62.708 63.100 0.127 0.000 0.790 135 P CB 0.529 32.355 31.700 0.211 0.000 0.951 136 V N -2.217 117.754 119.914 0.095 0.000 3.102 136 V HA 0.428 4.696 4.120 0.113 -0.080 0.312 136 V C -0.126 176.011 176.094 0.070 0.000 1.135 136 V CA -2.772 59.581 62.300 0.088 0.000 1.022 136 V CB 2.618 34.479 31.823 0.062 0.000 1.056 136 V HN -0.150 8.077 8.190 0.062 0.000 0.436 137 T N 5.310 119.906 114.554 0.071 0.000 2.794 137 T HA 0.021 4.408 4.350 0.063 0.000 0.296 137 T C -1.584 173.149 174.700 0.055 0.000 0.949 137 T CA 1.969 64.107 62.100 0.064 0.000 1.101 137 T CB 0.203 69.111 68.868 0.067 0.000 0.905 137 T HN 0.717 9.003 8.240 0.076 0.000 0.516 138 A N 8.195 131.044 122.820 0.048 0.000 2.360 138 A HA 0.992 5.686 4.320 0.046 -0.345 0.309 138 A C -1.239 176.372 177.584 0.045 0.000 1.311 138 A CA -1.956 50.106 52.037 0.042 0.000 0.805 138 A CB 1.900 20.916 19.000 0.027 0.000 1.144 138 A HN 0.160 8.241 8.150 0.049 0.098 0.486 139 T N 1.546 116.131 114.554 0.052 0.000 2.887 139 T HA 0.193 4.570 4.350 0.045 0.000 0.288 139 T C -0.746 173.988 174.700 0.056 0.000 1.021 139 T CA -2.505 59.626 62.100 0.051 0.000 1.000 139 T CB 2.327 71.225 68.868 0.050 0.000 1.034 139 T HN -0.363 7.912 8.240 0.058 0.000 0.467 140 S N 7.031 122.762 115.700 0.051 0.000 2.474 140 S HA 0.017 4.529 4.470 0.070 0.000 0.276 140 S C -0.450 174.187 174.600 0.062 0.000 1.227 140 S CA 0.180 58.415 58.200 0.059 0.000 1.050 140 S CB 0.568 63.797 63.200 0.048 0.000 0.939 140 S HN 0.338 8.674 8.310 0.044 0.000 0.490 141 A N 6.474 129.348 122.820 0.090 0.000 2.922 141 A HA -0.010 4.340 4.320 0.049 0.000 0.298 141 A C -1.743 175.871 177.584 0.049 0.000 1.588 141 A CA -0.046 52.036 52.037 0.076 0.000 1.288 141 A CB -1.027 18.044 19.000 0.118 0.000 1.130 141 A HN 0.020 8.242 8.150 0.121 0.000 0.557 142 N N 1.136 119.851 118.700 0.025 0.000 2.423 142 N HA 0.120 4.857 4.740 -0.005 0.000 0.262 142 N C -0.977 174.531 175.510 -0.003 0.000 1.467 142 N CA 0.157 53.213 53.050 0.009 0.000 0.847 142 N CB 2.161 40.663 38.487 0.025 0.000 1.394 142 N HN -0.342 8.051 8.380 0.022 0.000 0.495 143 I N -3.925 116.638 120.570 -0.011 0.000 3.191 143 I HA 0.073 4.233 4.170 -0.016 0.000 0.210 143 I C -0.636 175.465 176.117 -0.026 0.000 1.343 143 I CA -1.111 60.177 61.300 -0.020 0.000 0.679 143 I CB 0.431 38.413 38.000 -0.030 0.000 1.798 143 I HN -0.749 7.456 8.210 -0.009 0.000 0.943 144 S N 0.310 115.991 115.700 -0.033 0.000 2.563 144 S HA -0.206 4.248 4.470 -0.028 0.000 0.284 144 S C 0.455 175.034 174.600 -0.034 0.000 1.331 144 S CA 2.263 60.443 58.200 -0.032 0.000 1.047 144 S CB 0.508 63.686 63.200 -0.037 0.000 0.859 144 S HN -0.002 8.285 8.310 -0.038 0.000 0.514 145 G N 4.225 113.007 108.800 -0.031 0.000 2.496 145 G HA2 -0.232 3.710 3.960 -0.030 0.000 0.243 145 G HA3 -0.232 3.707 3.960 -0.035 0.000 0.243 145 G C -1.486 173.391 174.900 -0.038 0.000 1.176 145 G CA -0.197 44.883 45.100 -0.033 0.000 0.940 145 G HN 0.055 8.328 8.290 -0.028 0.000 0.573 146 K N 3.247 123.618 120.400 -0.047 0.000 2.877 146 K HA 0.400 4.686 4.320 -0.057 0.000 0.176 146 K C -1.766 174.783 176.600 -0.086 0.000 1.075 146 K CA -3.227 53.023 56.287 -0.062 0.000 0.939 146 K CB 0.478 32.941 32.500 -0.061 0.000 1.237 146 K HN 0.163 8.385 8.250 -0.047 0.000 0.607 147 P HA -0.059 4.311 4.420 -0.084 0.000 0.215 147 P C -2.214 174.973 177.300 -0.189 0.000 1.157 147 P CA 0.671 63.715 63.100 -0.094 0.000 0.863 147 P CB -1.110 30.560 31.700 -0.050 0.000 0.787 148 P HA 0.026 3.991 4.420 -0.758 0.000 0.276 148 P C -1.210 175.792 177.300 -0.497 0.000 1.264 148 P CA -0.376 62.460 63.100 -0.441 0.000 0.769 148 P CB 0.110 31.707 31.700 -0.172 0.000 0.840 149 S N 4.292 119.500 115.700 -0.820 0.000 2.562 149 S HA 0.216 4.519 4.470 -0.278 0.000 0.275 149 S C -0.735 173.699 174.600 -0.277 0.000 1.281 149 S CA -2.799 55.135 58.200 -0.444 0.000 1.045 149 S CB 1.084 64.075 63.200 -0.348 0.000 0.962 149 S HN 0.089 7.525 8.310 -1.456 0.000 0.503 150 P HA 0.161 4.583 4.420 0.003 0.000 0.259 150 P C -1.747 175.555 177.300 0.004 0.000 1.233 150 P CA 0.217 63.300 63.100 -0.029 0.000 0.827 150 P CB 0.821 32.502 31.700 -0.032 0.000 1.154 151 R N -1.378 119.116 120.500 -0.010 0.000 2.513 151 R HA 0.320 4.670 4.340 0.017 0.000 0.301 151 R C -0.364 175.946 176.300 0.016 0.000 0.968 151 R CA -1.294 54.810 56.100 0.006 0.000 0.872 151 R CB 0.941 31.236 30.300 -0.007 0.000 1.177 151 R HN -0.390 7.856 8.270 -0.041 0.000 0.444 152 L N 4.097 125.338 121.223 0.030 0.000 2.046 152 L HA -0.300 4.073 4.340 0.055 0.000 0.208 152 L C 1.951 178.826 176.870 0.007 0.000 1.077 152 L CA 3.767 58.623 54.840 0.028 0.000 0.747 152 L CB 0.600 42.667 42.059 0.013 0.000 0.896 152 L HN 0.774 9.021 8.230 0.028 0.000 0.432 153 E N -2.564 117.637 120.200 0.001 0.000 2.347 153 E HA -0.265 4.082 4.350 -0.005 0.000 0.196 153 E C 2.295 178.891 176.600 -0.007 0.000 1.008 153 E CA 2.735 59.133 56.400 -0.004 0.000 0.852 153 E CB -0.481 29.216 29.700 -0.004 0.000 0.783 153 E HN 0.303 8.665 8.360 0.003 0.000 0.505 154 E N 0.050 120.244 120.200 -0.010 0.000 2.107 154 E HA -0.207 4.134 4.350 -0.016 0.000 0.191 154 E C 2.162 178.750 176.600 -0.020 0.000 0.982 154 E CA 2.683 59.072 56.400 -0.018 0.000 0.809 154 E CB -0.158 29.526 29.700 -0.027 0.000 0.756 154 E HN -0.789 7.398 8.360 -0.007 0.169 0.459 155 I N -1.473 119.087 120.570 -0.017 0.000 2.163 155 I HA -0.396 3.759 4.170 -0.026 0.000 0.240 155 I C 1.856 177.967 176.117 -0.009 0.000 1.081 155 I CA 3.942 65.233 61.300 -0.014 0.000 1.353 155 I CB 0.019 38.021 38.000 0.004 0.000 1.054 155 I HN -0.777 7.427 8.210 -0.010 0.000 0.407 156 V N -4.039 115.871 119.914 -0.007 0.000 2.568 156 V HA -0.380 3.737 4.120 -0.006 0.000 0.253 156 V C 1.454 177.544 176.094 -0.007 0.000 1.072 156 V CA 3.225 65.521 62.300 -0.007 0.000 1.084 156 V CB -1.089 30.729 31.823 -0.008 0.000 0.676 156 V HN -0.755 7.432 8.190 -0.005 0.000 0.469 157 R N -0.835 119.660 120.500 -0.009 0.000 2.055 157 R HA -0.281 4.055 4.340 -0.007 0.000 0.228 157 R C 1.973 178.268 176.300 -0.009 0.000 1.143 157 R CA 2.568 58.663 56.100 -0.009 0.000 0.945 157 R CB -0.710 29.584 30.300 -0.010 0.000 0.841 157 R HN -0.820 7.321 8.270 -0.010 0.123 0.429 158 D N -1.623 118.770 120.400 -0.012 0.000 2.077 158 D HA -0.157 4.477 4.640 -0.011 0.000 0.196 158 D C 1.358 177.652 176.300 -0.009 0.000 0.986 158 D CA 2.744 56.737 54.000 -0.012 0.000 0.829 158 D CB 0.728 41.517 40.800 -0.018 0.000 0.983 158 D HN -0.333 8.029 8.370 -0.014 0.000 0.453 159 L N -0.257 120.962 121.223 -0.008 0.000 2.466 159 L HA 0.186 4.525 4.340 -0.002 0.000 0.248 159 L C 0.246 177.115 176.870 -0.001 0.000 1.240 159 L CA -1.836 53.002 54.840 -0.003 0.000 1.180 159 L CB -2.890 39.169 42.059 -0.001 0.000 1.413 159 L HN -0.110 8.114 8.230 -0.010 0.000 0.406 160 D N 3.081 123.480 120.400 -0.002 0.000 2.200 160 D HA -0.368 4.405 4.640 -0.002 -0.134 0.192 160 D C 0.238 176.538 176.300 0.001 0.000 1.008 160 D CA 3.287 57.287 54.000 -0.001 0.000 0.872 160 D CB 0.492 41.292 40.800 -0.001 0.000 0.923 160 D HN -0.390 7.934 8.370 -0.002 0.045 0.447 161 A N -6.146 116.676 122.820 0.003 0.000 2.631 161 A HA 0.086 4.408 4.320 0.005 0.000 0.258 161 A C -0.624 176.965 177.584 0.009 0.000 1.027 161 A CA 0.159 52.200 52.037 0.005 0.000 1.015 161 A CB 0.838 19.841 19.000 0.005 0.000 1.206 161 A HN -0.065 8.074 8.150 0.003 0.014 0.556 162 V N -0.428 119.491 119.914 0.009 0.000 2.300 162 V HA -0.250 3.879 4.120 0.015 0.000 0.233 162 V C -0.518 175.587 176.094 0.017 0.000 1.052 162 V CA 1.301 63.609 62.300 0.013 0.000 1.026 162 V CB 0.294 32.123 31.823 0.011 0.000 0.661 162 V HN -0.353 7.720 8.190 0.006 0.120 0.470 163 D N -0.324 120.086 120.400 0.016 0.000 2.499 163 D HA 0.201 5.119 4.640 0.030 -0.261 0.225 163 D C -0.410 175.900 176.300 0.018 0.000 1.124 163 D CA -1.056 52.958 54.000 0.023 0.000 0.938 163 D CB -0.526 40.289 40.800 0.026 0.000 1.014 163 D HN -0.228 8.148 8.370 0.011 0.000 0.517 164 L N 4.910 126.142 121.223 0.015 0.000 2.559 164 L HA -0.071 4.268 4.340 -0.002 0.000 0.274 164 L C -0.659 176.199 176.870 -0.021 0.000 1.205 164 L CA 0.572 55.412 54.840 0.001 0.000 0.907 164 L CB 0.053 42.116 42.059 0.006 0.000 1.153 164 L HN -0.119 8.123 8.230 0.021 0.000 0.490 165 V N 3.753 123.646 119.914 -0.036 0.000 3.857 165 V HA -0.169 3.924 4.120 -0.046 0.000 0.275 165 V C -1.532 174.445 176.094 -0.195 0.000 0.992 165 V CA 0.918 63.173 62.300 -0.074 0.000 0.998 165 V CB 1.217 33.015 31.823 -0.042 0.000 1.234 165 V HN 0.256 8.431 8.190 -0.024 0.000 0.438 166 L N -5.890 115.151 121.223 -0.304 0.000 2.354 166 L HA 0.277 4.344 4.340 -0.456 0.000 0.264 166 L C -1.048 175.672 176.870 -0.250 0.000 1.008 166 L CA -2.343 52.187 54.840 -0.516 0.000 0.819 166 L CB 1.132 42.443 42.059 -1.247 0.000 1.339 166 L HN -0.104 7.990 8.230 -0.227 0.000 0.420 167 D N 1.035 121.352 120.400 -0.137 0.000 2.327 167 D HA -0.076 4.536 4.640 -0.048 0.000 0.205 167 D C 0.151 176.446 176.300 -0.008 0.000 0.989 167 D CA 2.191 56.168 54.000 -0.038 0.000 0.873 167 D CB 1.412 42.218 40.800 0.012 0.000 0.955 167 D HN 0.582 8.886 8.370 -0.109 0.000 0.515 168 A N -1.080 121.759 122.820 0.032 0.000 1.861 168 A HA -0.007 4.345 4.320 0.053 0.000 0.212 168 A C -0.409 177.183 177.584 0.014 0.000 1.199 168 A CA 0.913 52.995 52.037 0.076 0.000 0.613 168 A CB 0.718 19.848 19.000 0.217 0.000 0.846 168 A HN -0.063 8.104 8.150 0.029 0.000 0.446 169 G N -2.067 106.703 108.800 -0.050 0.000 2.512 169 G HA2 -0.254 3.605 3.960 -0.169 0.000 0.210 169 G HA3 -0.254 3.673 3.960 -0.055 0.000 0.210 169 G C -1.301 173.552 174.900 -0.078 0.000 1.295 169 G CA -0.472 44.571 45.100 -0.094 0.000 0.934 169 G HN -0.249 7.978 8.290 -0.105 0.000 0.554 170 D N -0.128 120.226 120.400 -0.077 0.000 2.289 170 D HA -0.124 4.511 4.640 -0.107 -0.059 0.266 170 D C -1.398 174.886 176.300 -0.027 0.000 1.243 170 D CA 0.160 54.121 54.000 -0.066 0.000 1.019 170 D CB 0.418 41.197 40.800 -0.035 0.000 1.126 170 D HN -0.018 8.317 8.370 -0.059 0.000 0.541 171 C N -1.825 117.461 119.300 -0.024 0.000 3.432 171 C HA 0.074 4.525 4.460 -0.015 0.000 0.501 171 C C -1.200 173.780 174.990 -0.017 0.000 1.239 171 C CA -0.240 58.766 59.018 -0.020 0.000 2.438 171 C CB 2.866 30.588 27.740 -0.031 0.000 3.187 171 C HN 0.025 8.240 8.230 -0.025 0.000 0.458 172 L N -0.370 120.842 121.223 -0.017 0.000 2.974 172 L HA 0.410 4.745 4.340 -0.007 0.000 0.223 172 L C -1.009 175.861 176.870 -0.000 0.000 1.936 172 L CA -1.174 53.660 54.840 -0.010 0.000 2.503 172 L CB 1.429 43.477 42.059 -0.017 0.000 2.405 172 L HN -0.764 7.454 8.230 -0.020 0.000 0.621 173 D N -0.603 119.799 120.400 0.003 0.000 2.255 173 D HA 0.117 4.765 4.640 0.014 0.000 0.249 173 D C 0.714 177.025 176.300 0.019 0.000 1.078 173 D CA -0.265 53.742 54.000 0.012 0.000 0.896 173 D CB 2.237 43.045 40.800 0.014 0.000 1.194 173 D HN -0.279 8.090 8.370 -0.001 0.000 0.429 174 M N 1.027 120.643 119.600 0.028 0.000 2.549 174 M HA -0.257 4.448 4.480 0.049 -0.196 0.260 174 M C -0.961 175.361 176.300 0.037 0.000 1.076 174 M CA 2.234 57.559 55.300 0.041 0.000 1.090 174 M CB 0.507 33.136 32.600 0.047 0.000 1.418 174 M HN 0.223 8.528 8.290 0.026 0.000 0.486 175 E N -4.468 115.749 120.200 0.028 0.000 2.407 175 E HA 0.277 4.645 4.350 0.030 0.000 0.279 175 E C -2.744 173.872 176.600 0.026 0.000 1.012 175 E CA -1.609 54.807 56.400 0.028 0.000 0.800 175 E CB 0.385 30.101 29.700 0.026 0.000 1.276 175 E HN -0.997 7.311 8.360 0.025 0.067 0.452 176 P HA 0.309 4.747 4.420 0.030 0.000 0.333 176 P C -1.884 175.439 177.300 0.039 0.000 1.370 176 P CA -0.853 62.267 63.100 0.034 0.000 0.851 176 P CB 1.897 33.618 31.700 0.035 0.000 2.082 177 S N -3.456 112.272 115.700 0.047 0.000 2.533 177 S HA 0.180 4.681 4.470 0.052 0.000 0.271 177 S C -0.948 173.699 174.600 0.078 0.000 1.143 177 S CA -0.644 57.589 58.200 0.055 0.000 0.891 177 S CB 2.082 65.308 63.200 0.044 0.000 1.105 177 S HN -0.043 8.295 8.310 0.046 0.000 0.468 178 T N 5.798 120.425 114.554 0.121 0.000 2.867 178 T HA 0.258 4.671 4.350 0.105 0.000 0.282 178 T C -1.365 173.411 174.700 0.126 0.000 1.000 178 T CA 0.228 62.420 62.100 0.154 0.000 1.042 178 T CB 1.564 70.625 68.868 0.321 0.000 0.973 178 T HN -0.072 8.240 8.240 0.121 0.000 0.465 179 V N 6.619 126.583 119.914 0.083 0.000 2.409 179 V HA 0.166 4.332 4.120 0.077 0.000 0.290 179 V C -2.149 173.972 176.094 0.045 0.000 1.017 179 V CA -0.200 62.139 62.300 0.064 0.000 0.841 179 V CB 1.440 33.290 31.823 0.045 0.000 1.003 179 V HN -0.035 8.194 8.190 0.065 0.000 0.426 180 I N 8.173 128.773 120.570 0.051 0.000 2.406 180 I HA 0.255 4.610 4.170 0.010 -0.178 0.290 180 I C -1.468 174.665 176.117 0.027 0.000 0.999 180 I CA -1.214 60.101 61.300 0.025 0.000 1.124 180 I CB 3.028 41.037 38.000 0.015 0.000 1.289 180 I HN 0.514 8.767 8.210 0.072 0.000 0.441 181 D N 8.975 129.385 120.400 0.017 0.000 2.772 181 D HA 0.186 4.840 4.640 0.023 0.000 0.273 181 D C -1.356 174.952 176.300 0.013 0.000 1.233 181 D CA -0.641 53.370 54.000 0.018 0.000 0.984 181 D CB -0.295 40.515 40.800 0.017 0.000 1.000 181 D HN -0.040 8.219 8.370 0.010 0.117 0.514 182 L N 3.184 124.414 121.223 0.013 0.000 2.574 182 L HA 0.090 4.432 4.340 0.004 0.000 0.281 182 L C -0.394 176.483 176.870 0.012 0.000 1.212 182 L CA -0.103 54.742 54.840 0.009 0.000 1.082 182 L CB -0.564 41.500 42.059 0.009 0.000 1.362 182 L HN -0.420 7.776 8.230 0.018 0.044 0.451 183 T N 7.920 122.480 114.554 0.010 0.000 2.824 183 T HA -0.090 4.269 4.350 0.015 0.000 0.238 183 T C 0.429 175.135 174.700 0.010 0.000 1.067 183 T CA 2.114 64.221 62.100 0.012 0.000 1.286 183 T CB 0.230 69.105 68.868 0.011 0.000 0.980 183 T HN -0.079 8.166 8.240 0.008 0.000 0.414 184 V N -0.740 119.178 119.914 0.007 0.000 6.981 184 V HA 0.011 4.135 4.120 0.007 0.000 0.267 184 V C 0.513 176.609 176.094 0.003 0.000 1.691 184 V CA -1.665 60.638 62.300 0.006 0.000 0.587 184 V CB 1.114 32.940 31.823 0.005 0.000 1.625 184 V HN -0.172 8.021 8.190 0.006 0.000 0.354 185 N N 0.906 119.607 118.700 0.002 0.000 2.043 185 N HA -0.114 4.625 4.740 -0.000 0.000 0.193 185 N C -1.300 174.209 175.510 -0.002 0.000 1.037 185 N CA 2.435 55.485 53.050 -0.000 0.000 0.851 185 N CB -1.842 36.645 38.487 -0.000 0.000 1.027 185 N HN 0.155 8.536 8.380 0.002 0.000 0.422 186 P HA 0.332 4.749 4.420 -0.005 0.000 0.279 186 P C -2.373 174.925 177.300 -0.004 0.000 1.318 186 P CA -2.249 60.850 63.100 -0.003 0.000 0.819 186 P CB -0.633 31.066 31.700 -0.002 0.000 0.927 187 P HA 0.218 4.635 4.420 -0.005 0.000 0.280 187 P C -0.667 176.626 177.300 -0.010 0.000 1.244 187 P CA -0.982 62.112 63.100 -0.009 0.000 0.784 187 P CB 0.978 32.668 31.700 -0.016 0.000 0.913 188 R N 2.005 122.500 120.500 -0.007 0.000 3.179 188 R HA 0.136 4.471 4.340 -0.007 0.000 0.317 188 R C 0.061 176.355 176.300 -0.011 0.000 1.331 188 R CA -0.681 55.415 56.100 -0.006 0.000 1.184 188 R CB 0.029 30.330 30.300 0.002 0.000 1.408 188 R HN 0.158 8.336 8.270 -0.003 0.090 0.598 189 V N 1.885 121.784 119.914 -0.025 0.000 2.441 189 V HA -0.268 3.828 4.120 -0.039 0.000 0.279 189 V C -1.897 174.177 176.094 -0.034 0.000 0.990 189 V CA 0.957 63.231 62.300 -0.043 0.000 1.116 189 V CB 0.083 31.861 31.823 -0.075 0.000 0.977 189 V HN 0.013 8.099 8.190 -0.026 0.088 0.470 190 L N 9.804 131.015 121.223 -0.019 0.000 2.454 190 L HA 0.366 4.697 4.340 -0.015 0.000 0.258 190 L C -1.921 174.950 176.870 0.003 0.000 1.025 190 L CA -0.964 53.871 54.840 -0.008 0.000 0.901 190 L CB 2.554 44.614 42.059 0.002 0.000 1.210 190 L HN -0.018 8.205 8.230 -0.012 0.000 0.457 191 R N 1.855 122.353 120.500 -0.004 0.000 2.441 191 R HA 0.146 4.509 4.340 0.038 0.000 0.284 191 R C -0.165 176.148 176.300 0.021 0.000 1.070 191 R CA -0.734 55.376 56.100 0.017 0.000 1.047 191 R CB 0.673 30.978 30.300 0.008 0.000 1.016 191 R HN 0.223 8.481 8.270 -0.019 0.000 0.477 192 R N 5.557 126.076 120.500 0.033 0.000 2.609 192 R HA -0.057 4.295 4.340 0.021 0.000 0.271 192 R C 0.223 176.538 176.300 0.025 0.000 1.403 192 R CA -0.018 56.098 56.100 0.027 0.000 1.138 192 R CB -1.214 29.104 30.300 0.030 0.000 1.142 192 R HN -0.100 8.197 8.270 0.046 0.000 0.559 193 G N 2.849 111.660 108.800 0.018 0.000 2.532 193 G HA2 0.243 4.215 3.960 0.020 0.000 0.291 193 G HA3 0.243 4.211 3.960 0.013 0.000 0.291 193 G C -0.691 174.217 174.900 0.013 0.000 1.349 193 G CA -0.668 44.441 45.100 0.016 0.000 1.038 193 G HN -0.400 7.899 8.290 0.014 0.000 0.518 194 K N -1.216 119.191 120.400 0.012 0.000 2.632 194 K HA 0.174 4.500 4.320 0.010 0.000 0.267 194 K C 0.903 177.508 176.600 0.007 0.000 1.028 194 K CA -0.513 55.780 56.287 0.010 0.000 1.045 194 K CB 0.959 33.465 32.500 0.010 0.000 1.400 194 K HN 0.021 8.277 8.250 0.012 0.000 0.522 195 G N -0.547 108.256 108.800 0.006 0.000 2.611 195 G HA2 0.184 4.147 3.960 0.005 0.000 0.273 195 G HA3 0.184 4.147 3.960 0.005 0.000 0.273 195 G C -1.429 173.473 174.900 0.004 0.000 1.305 195 G CA -0.964 44.139 45.100 0.005 0.000 1.010 195 G HN 0.037 8.330 8.290 0.007 0.000 0.509 196 P HA -0.005 4.416 4.420 0.002 0.000 0.241 196 P C -1.656 175.646 177.300 0.003 0.000 1.760 196 P CA 0.477 63.578 63.100 0.003 0.000 1.081 196 P CB -1.844 29.858 31.700 0.002 0.000 1.975 197 L N -0.628 120.597 121.223 0.003 0.000 3.035 197 L HA 0.320 4.661 4.340 0.003 0.000 0.338 197 L C -0.841 176.031 176.870 0.004 0.000 1.292 197 L CA -0.584 54.258 54.840 0.003 0.000 0.764 197 L CB 0.455 42.516 42.059 0.004 0.000 1.187 197 L HN -0.473 7.720 8.230 0.004 0.039 0.574 198 D N 0.402 120.804 120.400 0.004 0.000 2.449 198 D HA 0.011 4.655 4.640 0.005 0.000 0.236 198 D C -1.186 175.116 176.300 0.004 0.000 1.149 198 D CA -1.515 52.488 54.000 0.004 0.000 0.878 198 D CB 0.447 41.249 40.800 0.003 0.000 1.198 198 D HN -0.386 7.986 8.370 0.003 0.000 0.446 199 P HA 0.021 4.444 4.420 0.004 0.000 0.264 199 P C -0.547 176.755 177.300 0.004 0.000 1.236 199 P CA -0.111 62.992 63.100 0.004 0.000 0.811 199 P CB -0.083 31.620 31.700 0.005 0.000 0.840 200 V N 1.046 120.961 119.914 0.003 0.000 3.546 200 V HA 0.046 4.167 4.120 0.002 0.000 0.296 200 V C -0.109 175.987 176.094 0.002 0.000 1.082 200 V CA -0.557 61.745 62.300 0.002 0.000 1.086 200 V CB 0.737 32.561 31.823 0.002 0.000 1.174 200 V HN 0.124 8.316 8.190 0.003 0.000 0.464 201 L N -0.170 121.054 121.223 0.002 0.000 3.062 201 L HA 0.254 4.595 4.340 0.002 0.000 0.255 201 L C -0.244 176.627 176.870 0.002 0.000 1.274 201 L CA -0.095 54.746 54.840 0.002 0.000 1.047 201 L CB -0.836 41.224 42.059 0.002 0.000 1.402 201 L HN 0.203 8.434 8.230 0.002 0.000 0.550 202 L N 0.143 121.367 121.223 0.002 0.000 2.475 202 L HA 0.068 4.408 4.340 0.001 0.000 0.212 202 L C 0.296 177.167 176.870 0.002 0.000 1.204 202 L CA -0.128 54.713 54.840 0.001 0.000 0.843 202 L CB 0.771 42.831 42.059 0.001 0.000 1.360 202 L HN -0.569 7.580 8.230 0.002 0.082 0.527 203 R N 0.404 120.905 120.500 0.001 0.000 2.215 203 R HA 0.134 4.475 4.340 0.002 0.000 0.337 203 R C -0.554 175.747 176.300 0.002 0.000 1.010 203 R CA -0.142 55.959 56.100 0.002 0.000 0.871 203 R CB -0.716 29.584 30.300 0.001 0.000 1.134 203 R HN 0.222 8.493 8.270 0.001 0.000 0.477 204 G N 2.809 111.610 108.800 0.002 0.000 2.160 204 G HA2 -0.003 3.958 3.960 0.002 0.000 0.288 204 G HA3 -0.003 3.958 3.960 0.002 0.000 0.288 204 G C -0.849 174.052 174.900 0.002 0.000 1.335 204 G CA -0.153 44.948 45.100 0.002 0.000 1.249 204 G HN 0.088 8.379 8.290 0.002 0.000 0.614 205 A N 3.013 125.834 122.820 0.002 0.000 2.288 205 A HA 0.113 4.434 4.320 0.002 0.000 0.216 205 A C 0.773 178.358 177.584 0.002 0.000 1.199 205 A CA 0.047 52.085 52.037 0.002 0.000 0.891 205 A CB 0.519 19.520 19.000 0.002 0.000 0.923 205 A HN 0.208 8.359 8.150 0.002 0.000 0.500 206 G N -0.268 108.533 108.800 0.002 0.000 2.915 206 G HA2 0.012 3.973 3.960 0.002 0.000 0.298 206 G HA3 0.012 3.973 3.960 0.002 0.000 0.298 206 G C -0.409 174.492 174.900 0.002 0.000 0.837 206 G CA -0.503 44.598 45.100 0.002 0.000 1.752 206 G HN -0.289 8.002 8.290 0.002 0.000 0.526 207 D N 3.470 123.871 120.400 0.002 0.000 2.363 207 D HA -0.018 4.623 4.640 0.002 0.000 0.220 207 D C 0.010 176.312 176.300 0.002 0.000 0.994 207 D CA 1.076 55.077 54.000 0.002 0.000 0.890 207 D CB 0.583 41.384 40.800 0.003 0.000 0.906 207 D HN 0.021 8.392 8.370 0.002 0.000 0.530 208 V N 0.000 119.915 119.914 0.002 0.000 2.409 208 V HA 0.000 4.121 4.120 0.002 0.000 0.244 208 V CA 0.000 62.301 62.300 0.002 0.000 1.235 208 V CB 0.000 31.824 31.823 0.002 0.000 1.184 208 V HN 0.000 8.120 8.190 0.002 0.071 0.556