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 1c1t_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.176 4.170 0.010 0.000 0.288 16 I C 0.000 176.099 176.117 -0.030 0.000 1.063 16 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 17 V N 4.909 124.819 119.914 -0.005 0.000 2.459 17 V HA 0.278 4.520 4.120 -0.023 -0.136 0.295 17 V C 0.485 176.581 176.094 0.004 0.000 1.029 17 V CA -1.745 60.550 62.300 -0.007 0.000 0.874 17 V CB 1.253 33.078 31.823 0.003 0.000 0.985 17 V HN 0.754 8.954 8.190 0.018 0.000 0.438 18 G N 6.729 115.527 108.800 -0.004 0.000 2.160 18 G HA2 -0.393 3.564 3.960 -0.005 0.000 0.251 18 G HA3 -0.393 3.707 3.960 -0.015 -0.149 0.251 18 G C -0.731 174.182 174.900 0.021 0.000 1.008 18 G CA 0.499 45.597 45.100 -0.003 0.000 0.724 18 G HN 0.757 9.041 8.290 -0.010 0.000 0.514 19 G N -1.433 107.377 108.800 0.017 0.000 2.795 19 G HA2 0.562 4.570 3.960 0.110 0.000 0.267 19 G HA3 0.562 4.571 3.960 -0.077 -0.095 0.267 19 G C -1.840 173.110 174.900 0.083 0.000 1.362 19 G CA -1.189 43.925 45.100 0.025 0.000 1.048 19 G HN -0.694 7.562 8.290 -0.006 0.030 0.547 20 Y N -6.206 114.076 120.300 -0.031 0.000 2.634 20 Y HA 0.419 4.951 4.550 -0.029 0.000 0.340 20 Y C -1.844 174.030 175.900 -0.044 0.000 1.058 20 Y CA -2.802 55.278 58.100 -0.032 0.000 1.081 20 Y CB 1.434 39.878 38.460 -0.026 0.000 1.295 20 Y HN 0.463 8.334 8.280 -0.503 0.107 0.487 21 T N 3.070 117.676 114.554 0.085 0.000 2.799 21 T HA -0.000 4.434 4.350 -0.108 -0.149 0.296 21 T C 0.356 175.081 174.700 0.043 0.000 0.947 21 T CA 1.723 63.818 62.100 -0.007 0.000 1.141 21 T CB -0.202 68.689 68.868 0.039 0.000 0.891 21 T HN 0.208 8.554 8.240 0.176 0.000 0.533 22 c N 6.608 125.131 118.600 -0.127 0.000 2.413 22 c HA -0.102 4.458 4.570 -0.015 0.000 0.277 22 c C 0.491 174.605 174.090 0.040 0.000 1.228 22 c CA 0.877 57.164 56.329 -0.070 0.000 1.731 22 c CB -0.477 41.923 42.510 -0.184 0.000 2.042 22 c HN 0.433 8.535 8.230 -0.215 0.000 0.468 23 G N -2.632 106.167 108.800 -0.001 0.000 2.528 23 G HA2 -0.160 3.814 3.960 0.025 0.000 0.681 23 G HA3 -0.160 3.818 3.960 0.030 0.000 0.681 23 G C -2.036 172.862 174.900 -0.004 0.000 1.340 23 G CA -0.970 44.141 45.100 0.017 0.000 0.855 23 G HN -0.366 7.899 8.290 -0.041 0.000 0.649 24 A N 2.844 125.671 122.820 0.011 0.000 2.548 24 A HA -0.196 4.368 4.320 0.023 -0.230 0.247 24 A C -0.224 177.362 177.584 0.003 0.000 1.067 24 A CA 0.958 53.005 52.037 0.016 0.000 0.757 24 A CB 0.036 19.052 19.000 0.027 0.000 0.996 24 A HN 0.294 8.455 8.150 0.018 0.000 0.504 25 N N -2.188 116.511 118.700 -0.002 0.000 2.721 25 N HA -0.389 4.335 4.740 -0.027 0.000 0.249 25 N C 0.249 175.735 175.510 -0.040 0.000 1.072 25 N CA 1.478 54.517 53.050 -0.019 0.000 0.710 25 N CB -1.173 37.315 38.487 0.001 0.000 0.993 25 N HN 0.538 8.924 8.380 0.011 0.000 0.547 26 T N -4.101 110.420 114.554 -0.056 0.000 3.081 26 T HA -0.012 4.325 4.350 -0.022 0.000 0.250 26 T C -0.466 174.172 174.700 -0.103 0.000 1.100 26 T CA 1.093 63.166 62.100 -0.045 0.000 1.038 26 T CB 0.736 69.595 68.868 -0.015 0.000 0.962 26 T HN -0.485 7.697 8.240 -0.062 0.021 0.516 27 V N 2.232 122.021 119.914 -0.209 0.000 2.320 27 V HA 0.354 4.188 4.120 -0.476 0.000 0.257 27 V C -1.140 174.629 176.094 -0.541 0.000 0.996 27 V CA -3.566 58.450 62.300 -0.472 0.000 0.928 27 V CB 0.984 32.517 31.823 -0.483 0.000 1.169 27 V HN -0.426 7.597 8.190 -0.178 0.060 0.475 28 P HA 0.032 4.487 4.420 -0.103 -0.096 0.226 28 P C 0.136 177.375 177.300 -0.102 0.000 1.153 28 P CA 1.674 64.688 63.100 -0.144 0.000 0.777 28 P CB 0.120 31.811 31.700 -0.015 0.000 0.794 29 Y N -5.782 114.544 120.300 0.042 0.000 2.466 29 Y HA 0.525 5.280 4.550 0.057 -0.171 0.272 29 Y C -0.610 175.328 175.900 0.064 0.000 1.169 29 Y CA -3.576 54.555 58.100 0.052 0.000 1.285 29 Y CB -1.449 37.038 38.460 0.044 0.000 1.078 29 Y HN -0.394 7.287 8.280 -0.903 0.057 0.523 30 Q N 2.710 122.390 119.800 -0.200 0.000 2.304 30 Q HA 0.222 4.754 4.340 0.102 -0.130 0.260 30 Q C -0.321 175.763 176.000 0.141 0.000 0.965 30 Q CA 0.019 55.811 55.803 -0.019 0.000 0.898 30 Q CB 1.269 29.893 28.738 -0.191 0.000 1.196 30 Q HN -0.600 7.216 8.270 -0.469 0.172 0.402 31 V N 1.647 121.685 119.914 0.207 0.000 2.864 31 V HA 0.815 5.182 4.120 0.200 -0.127 0.314 31 V C -2.051 174.208 176.094 0.274 0.000 1.073 31 V CA -2.829 59.594 62.300 0.204 0.000 0.956 31 V CB 3.800 35.694 31.823 0.118 0.000 1.023 31 V HN 0.367 8.676 8.190 0.198 0.000 0.435 32 S N 1.688 117.464 115.700 0.127 0.000 2.478 32 S HA 0.510 5.233 4.470 0.216 -0.123 0.312 32 S C -1.120 173.392 174.600 -0.146 0.000 1.094 32 S CA -1.997 56.214 58.200 0.018 0.000 1.081 32 S CB 1.780 64.771 63.200 -0.348 0.000 1.007 32 S HN 0.181 8.531 8.310 0.067 0.000 0.475 33 L N 7.217 128.235 121.223 -0.342 0.000 2.275 33 L HA 0.574 4.865 4.340 -0.304 -0.133 0.288 33 L C -1.517 174.969 176.870 -0.640 0.000 1.046 33 L CA -0.884 53.632 54.840 -0.540 0.000 0.805 33 L CB 0.952 42.473 42.059 -0.897 0.000 1.193 33 L HN 0.844 8.844 8.230 -0.384 0.000 0.426 38 G N 0.107 108.660 108.800 -0.412 0.000 2.201 38 G HA2 -0.259 3.623 3.960 -0.130 0.000 0.212 38 G HA3 -0.259 3.659 3.960 -0.070 0.000 0.212 38 G C -1.723 173.143 174.900 -0.057 0.000 0.994 38 G CA 0.232 45.222 45.100 -0.183 0.000 0.644 38 G HN 0.252 8.608 8.290 -0.344 -0.272 0.508 39 Y N -7.237 113.041 120.300 -0.036 0.000 2.662 39 Y HA 0.209 4.723 4.550 -0.060 0.000 0.334 39 Y C -2.459 173.455 175.900 0.024 0.000 1.185 39 Y CA -3.407 54.676 58.100 -0.028 0.000 1.074 39 Y CB 0.803 39.246 38.460 -0.028 0.000 1.330 39 Y HN -1.270 6.538 8.280 -0.802 -0.009 0.458 40 H N 2.618 121.697 119.070 0.015 0.000 2.848 40 H HA 0.021 4.621 4.556 -0.234 -0.184 0.317 40 H C -0.318 175.098 175.328 0.147 0.000 1.046 40 H CA -0.137 55.858 56.048 -0.089 0.000 1.470 40 H CB 0.286 29.937 29.762 -0.184 0.000 1.483 40 H HN 0.308 8.709 8.280 0.202 0.000 0.548 41 F N 2.563 122.180 119.950 -0.555 0.000 2.876 41 F HA 0.336 4.788 4.527 -0.125 0.000 0.344 41 F C -1.486 174.081 175.800 -0.388 0.000 1.029 41 F CA -0.709 57.115 58.000 -0.292 0.000 1.154 41 F CB 1.550 40.509 39.000 -0.067 0.000 1.040 41 F HN 0.079 7.787 8.300 -0.987 0.000 0.576 42 c N -1.416 116.507 118.600 -1.129 0.000 3.312 42 c HA 0.342 4.836 4.570 -0.218 -0.054 0.332 42 c C -1.701 172.186 174.090 -0.338 0.000 1.340 42 c CA -0.182 55.824 56.329 -0.540 0.000 1.265 42 c CB 4.051 46.314 42.510 -0.412 0.000 1.563 42 c HN -0.809 6.479 8.230 -1.569 0.000 0.471 43 G N -0.855 107.944 108.800 -0.001 0.000 2.552 43 G HA2 0.796 5.091 3.960 0.264 0.000 0.318 43 G HA3 0.796 4.899 3.960 0.238 0.000 0.318 43 G C -2.471 172.462 174.900 0.055 0.000 1.240 43 G CA -1.550 43.648 45.100 0.165 0.000 1.002 43 G HN 0.775 9.073 8.290 0.014 0.000 0.493 44 G N -3.828 105.038 108.800 0.109 0.000 2.550 44 G HA2 0.597 4.860 3.960 0.082 0.000 0.293 44 G HA3 0.597 4.594 3.960 0.062 0.000 0.293 44 G C -2.967 172.022 174.900 0.148 0.000 1.402 44 G CA 0.189 45.344 45.100 0.093 0.000 0.784 44 G HN -0.509 7.882 8.290 0.168 0.000 0.482 45 S N -0.668 115.123 115.700 0.152 0.000 2.521 45 S HA 0.866 5.702 4.470 0.269 -0.205 0.295 45 S C -1.408 173.296 174.600 0.173 0.000 1.098 45 S CA -0.918 57.403 58.200 0.202 0.000 0.999 45 S CB 3.847 67.151 63.200 0.174 0.000 1.034 45 S HN 0.450 8.837 8.310 0.128 0.000 0.483 46 L N 5.937 127.278 121.223 0.197 0.000 2.313 46 L HA 0.241 4.789 4.340 0.147 -0.120 0.282 46 L C -0.626 176.330 176.870 0.142 0.000 1.092 46 L CA -0.391 54.545 54.840 0.160 0.000 0.831 46 L CB 1.160 43.312 42.059 0.154 0.000 1.159 46 L HN 0.468 8.853 8.230 0.259 0.000 0.442 47 I N -0.004 120.647 120.570 0.135 0.000 3.941 47 I HA 0.431 4.802 4.170 0.069 -0.160 0.321 47 I C -0.864 175.312 176.117 0.099 0.000 1.284 47 I CA -0.426 60.932 61.300 0.097 0.000 1.226 47 I CB 0.629 38.675 38.000 0.077 0.000 1.045 47 I HN 0.331 8.638 8.210 0.163 0.000 0.420 48 N N -2.130 116.650 118.700 0.133 0.000 3.355 48 N HA 0.032 4.828 4.740 0.093 0.000 0.238 48 N C -0.651 174.934 175.510 0.124 0.000 1.466 48 N CA -0.331 52.792 53.050 0.122 0.000 0.882 48 N CB 0.917 39.482 38.487 0.131 0.000 1.406 48 N HN -0.879 7.594 8.380 0.155 0.000 0.500 49 S N -1.907 113.850 115.700 0.095 0.000 2.440 49 S HA -0.355 4.149 4.470 0.056 0.000 0.238 49 S C 0.887 175.507 174.600 0.033 0.000 1.010 49 S CA 2.670 60.907 58.200 0.062 0.000 0.972 49 S CB 0.113 63.340 63.200 0.045 0.000 0.774 49 S HN 0.475 8.837 8.310 0.088 0.000 0.501 50 Q N -2.611 117.219 119.800 0.051 0.000 2.246 50 Q HA 0.252 4.503 4.340 -0.149 0.000 0.222 50 Q C -0.981 174.826 176.000 -0.322 0.000 0.851 50 Q CA 0.099 55.825 55.803 -0.127 0.000 0.945 50 Q CB 1.293 29.950 28.738 -0.135 0.000 1.122 50 Q HN 0.022 8.330 8.270 0.140 0.046 0.508 51 W N -2.195 119.109 121.300 0.005 0.000 2.936 51 W HA 0.598 5.434 4.660 0.001 -0.175 0.338 51 W C -1.465 175.064 176.519 0.017 0.000 1.121 51 W CA -0.825 56.521 57.345 0.002 0.000 1.209 51 W CB 3.806 33.255 29.460 -0.019 0.000 1.420 51 W HN -0.552 7.769 8.180 0.236 0.000 0.516 52 V N 1.231 121.306 119.914 0.270 0.000 2.735 52 V HA 0.833 5.237 4.120 0.170 -0.181 0.310 52 V C -1.548 174.661 176.094 0.192 0.000 1.061 52 V CA -1.812 60.596 62.300 0.181 0.000 0.913 52 V CB 3.978 35.863 31.823 0.104 0.000 1.005 52 V HN 0.798 9.170 8.190 0.302 0.000 0.428 53 V N 1.605 121.609 119.914 0.150 0.000 2.628 53 V HA 1.040 5.429 4.120 0.154 -0.177 0.306 53 V C -1.734 174.422 176.094 0.104 0.000 1.045 53 V CA -2.856 59.525 62.300 0.135 0.000 0.905 53 V CB 2.676 34.571 31.823 0.121 0.000 0.997 53 V HN 0.563 8.836 8.190 0.139 0.000 0.436 54 S N 3.955 119.705 115.700 0.084 0.000 2.880 54 S HA 0.570 5.255 4.470 0.047 -0.186 0.308 54 S C -1.823 172.778 174.600 0.001 0.000 1.195 54 S CA -2.348 55.874 58.200 0.037 0.000 0.866 54 S CB 2.416 65.622 63.200 0.010 0.000 1.254 54 S HN 0.557 8.927 8.310 0.100 0.000 0.571 55 A N -0.511 122.267 122.820 -0.070 0.000 2.310 55 A HA 0.418 4.840 4.320 -0.079 -0.149 0.299 55 A C 0.475 177.937 177.584 -0.203 0.000 1.147 55 A CA -1.453 50.502 52.037 -0.137 0.000 0.818 55 A CB 1.302 20.158 19.000 -0.241 0.000 1.096 55 A HN 0.351 8.448 8.150 -0.088 0.000 0.495 56 A N 4.665 127.316 122.820 -0.282 0.000 2.015 56 A HA -0.228 3.947 4.320 -0.242 0.000 0.219 56 A C 1.310 178.666 177.584 -0.381 0.000 1.163 56 A CA 2.751 54.506 52.037 -0.469 0.000 0.646 56 A CB -0.338 18.008 19.000 -1.090 0.000 0.806 56 A HN 0.582 8.620 8.150 -0.258 -0.043 0.448 57 H N -4.596 114.340 119.070 -0.223 0.000 2.559 57 H HA -0.068 4.543 4.556 0.092 0.000 0.273 57 H C 0.142 175.530 175.328 0.101 0.000 1.000 57 H CA 1.437 57.508 56.048 0.038 0.000 1.195 57 H CB -1.355 28.493 29.762 0.143 0.000 1.368 57 H HN 0.014 8.473 8.280 -0.168 -0.279 0.592 58 c N -1.512 116.970 118.600 -0.197 0.000 2.697 58 c HA 0.013 4.649 4.570 0.110 0.000 0.267 58 c C 0.376 174.551 174.090 0.142 0.000 1.278 58 c CA 0.089 56.427 56.329 0.015 0.000 1.708 58 c CB -1.662 40.827 42.510 -0.035 0.000 1.860 58 c HN -0.280 7.582 8.230 -0.289 0.194 0.589 59 Y N 2.862 123.160 120.300 -0.003 0.000 2.717 59 Y HA -0.260 4.310 4.550 0.033 0.000 0.330 59 Y C -0.804 175.078 175.900 -0.029 0.000 1.217 59 Y CA 1.994 60.098 58.100 0.005 0.000 1.506 59 Y CB 0.430 38.880 38.460 -0.017 0.000 1.268 59 Y HN -0.462 7.713 8.280 0.140 0.189 0.561 60 K N 7.305 127.045 120.400 -1.100 0.000 2.575 60 K HA 0.161 3.953 4.320 -0.881 0.000 0.279 60 K C -2.121 173.967 176.600 -0.854 0.000 0.969 60 K CA -1.526 54.210 56.287 -0.918 0.000 0.868 60 K CB 3.492 35.585 32.500 -0.680 0.000 1.457 60 K HN -0.035 7.636 8.250 -0.965 0.000 0.426 61 S N 0.062 115.441 115.700 -0.535 0.000 2.617 61 S HA 0.113 4.448 4.470 -0.225 0.000 0.283 61 S C 0.765 175.244 174.600 -0.202 0.000 1.189 61 S CA -0.591 57.450 58.200 -0.264 0.000 1.036 61 S CB 0.596 63.726 63.200 -0.118 0.000 1.014 61 S HN 0.017 8.055 8.310 -0.453 0.000 0.522 62 G N 2.792 111.516 108.800 -0.127 0.000 2.368 62 G HA2 -0.234 3.678 3.960 -0.080 0.000 0.290 62 G HA3 -0.234 3.655 3.960 -0.118 0.000 0.290 62 G C -1.530 173.305 174.900 -0.109 0.000 1.098 62 G CA -0.022 45.013 45.100 -0.109 0.000 1.073 62 G HN 0.234 8.468 8.290 -0.093 0.000 0.511 63 I N -0.990 119.536 120.570 -0.074 0.000 2.437 63 I HA 0.172 4.464 4.170 -0.003 -0.124 0.298 63 I C -2.032 174.056 176.117 -0.049 0.000 0.984 63 I CA -1.356 59.929 61.300 -0.025 0.000 1.214 63 I CB 1.929 39.947 38.000 0.031 0.000 1.365 63 I HN -0.483 7.686 8.210 -0.068 0.000 0.469 64 Q N 5.825 125.584 119.800 -0.069 0.000 2.340 64 Q HA 0.470 4.874 4.340 -0.063 -0.102 0.268 64 Q C -1.725 174.213 176.000 -0.104 0.000 1.031 64 Q CA -1.406 54.343 55.803 -0.090 0.000 0.804 64 Q CB 3.800 32.454 28.738 -0.139 0.000 1.286 64 Q HN 0.252 8.483 8.270 -0.064 0.000 0.448 65 V N 7.195 127.071 119.914 -0.063 0.000 2.439 65 V HA 0.247 4.438 4.120 -0.082 -0.120 0.282 65 V C -1.246 174.845 176.094 -0.004 0.000 1.039 65 V CA -0.051 62.221 62.300 -0.046 0.000 0.913 65 V CB 1.041 32.853 31.823 -0.017 0.000 0.983 65 V HN 1.104 9.163 8.190 -0.040 0.107 0.460 66 R N 6.463 126.952 120.500 -0.019 0.000 2.360 66 R HA 0.662 5.353 4.340 0.283 -0.182 0.318 66 R C -1.014 175.357 176.300 0.119 0.000 0.950 66 R CA -1.300 54.854 56.100 0.090 0.000 0.837 66 R CB 1.464 31.693 30.300 -0.118 0.000 1.165 66 R HN 0.785 9.019 8.270 -0.060 0.000 0.458 70 E N -0.716 119.584 120.200 0.167 0.000 2.319 70 E HA 0.139 4.576 4.350 0.145 0.000 0.268 70 E C -1.834 174.949 176.600 0.304 0.000 1.050 70 E CA 0.031 56.553 56.400 0.204 0.000 0.878 70 E CB 1.443 31.223 29.700 0.133 0.000 1.066 70 E HN -0.610 7.828 8.360 0.189 0.035 0.406 71 D N 1.071 121.629 120.400 0.264 0.000 2.957 71 D HA 0.059 4.889 4.640 0.318 0.000 0.175 71 D C -1.095 175.407 176.300 0.336 0.000 1.502 71 D CA 1.008 55.170 54.000 0.270 0.000 1.524 71 D CB 2.475 43.352 40.800 0.129 0.000 1.300 71 D HN 0.084 8.564 8.370 0.183 0.000 0.241 72 N N 0.899 119.706 118.700 0.179 0.000 2.411 72 N HA 0.260 5.255 4.740 0.188 -0.142 0.259 72 N C 2.107 177.629 175.510 0.020 0.000 1.103 72 N CA -0.568 52.559 53.050 0.128 0.000 0.954 72 N CB 0.819 39.353 38.487 0.079 0.000 1.085 72 N HN -0.303 8.474 8.380 0.131 -0.319 0.485 73 I N 0.458 120.949 120.570 -0.132 0.000 3.444 73 I HA -0.045 4.130 4.170 -0.258 -0.159 0.287 73 I C -0.601 175.425 176.117 -0.151 0.000 1.302 73 I CA 1.124 62.245 61.300 -0.299 0.000 1.368 73 I CB -0.753 36.825 38.000 -0.704 0.000 1.048 73 I HN 0.602 8.745 8.210 -0.112 0.000 0.487 74 N N -1.867 116.792 118.700 -0.067 0.000 2.205 74 N HA 0.164 4.881 4.740 -0.039 0.000 0.201 74 N C -1.067 174.447 175.510 0.007 0.000 1.128 74 N CA -0.177 52.856 53.050 -0.027 0.000 0.867 74 N CB 2.044 40.525 38.487 -0.010 0.000 0.996 74 N HN -0.067 8.571 8.380 -0.044 -0.284 0.503 75 V N 0.279 120.205 119.914 0.019 0.000 2.638 75 V HA 0.053 4.192 4.120 0.032 0.000 0.306 75 V C -1.411 174.712 176.094 0.049 0.000 1.052 75 V CA -0.980 61.340 62.300 0.034 0.000 0.885 75 V CB 3.300 35.142 31.823 0.032 0.000 0.999 75 V HN -0.865 7.336 8.190 0.011 -0.004 0.424 76 V N 7.592 127.537 119.914 0.051 0.000 2.387 76 V HA -0.179 4.196 4.120 0.066 -0.216 0.260 76 V C 0.277 176.379 176.094 0.013 0.000 1.054 76 V CA 0.592 62.917 62.300 0.042 0.000 0.967 76 V CB -0.320 31.520 31.823 0.030 0.000 1.036 76 V HN 0.310 8.526 8.190 0.044 0.000 0.481 77 E N 8.995 129.202 120.200 0.012 0.000 2.474 77 E HA 0.045 4.400 4.350 0.008 0.000 0.195 77 E C 0.533 177.126 176.600 -0.011 0.000 1.039 77 E CA -0.044 56.360 56.400 0.007 0.000 0.881 77 E CB 0.310 30.024 29.700 0.023 0.000 0.970 77 E HN 0.396 9.198 8.360 0.020 -0.429 0.486 78 G N -1.228 107.551 108.800 -0.035 0.000 2.238 78 G HA2 -0.353 3.568 3.960 -0.065 0.000 0.217 78 G HA3 -0.353 3.587 3.960 -0.033 0.000 0.217 78 G C -0.039 174.826 174.900 -0.058 0.000 0.996 78 G CA 0.396 45.467 45.100 -0.049 0.000 0.632 78 G HN 0.084 8.505 8.290 -0.046 -0.158 0.503 79 N N 0.223 118.897 118.700 -0.044 0.000 2.214 79 N HA 0.071 4.785 4.740 -0.044 0.000 0.214 79 N C -1.505 173.972 175.510 -0.055 0.000 1.132 79 N CA -0.695 52.332 53.050 -0.039 0.000 0.856 79 N CB 0.670 39.152 38.487 -0.008 0.000 1.020 79 N HN 0.321 8.685 8.380 -0.027 0.000 0.509 80 E N -0.146 119.985 120.200 -0.115 0.000 2.318 80 E HA 0.306 4.868 4.350 -0.037 -0.234 0.265 80 E C -0.222 176.217 176.600 -0.269 0.000 1.069 80 E CA -0.293 56.007 56.400 -0.166 0.000 0.893 80 E CB 0.904 30.422 29.700 -0.304 0.000 1.076 80 E HN -0.473 7.737 8.360 -0.135 0.070 0.414 81 Q N 0.230 119.932 119.800 -0.162 0.000 2.274 81 Q HA 0.302 4.514 4.340 -0.213 0.000 0.268 81 Q C -1.445 174.617 176.000 0.104 0.000 1.015 81 Q CA -1.104 54.633 55.803 -0.111 0.000 0.775 81 Q CB 3.139 31.863 28.738 -0.023 0.000 1.256 81 Q HN 0.249 8.513 8.270 -0.010 0.000 0.442 82 F N 3.681 123.612 119.950 -0.032 0.000 2.402 82 F HA 0.882 5.578 4.527 -0.047 -0.197 0.355 82 F C 0.135 175.911 175.800 -0.041 0.000 1.123 82 F CA -1.739 56.236 58.000 -0.042 0.000 1.021 82 F CB 1.899 40.872 39.000 -0.045 0.000 1.160 82 F HN 0.287 8.551 8.300 -0.060 0.000 0.451 83 I N 4.564 125.213 120.570 0.131 0.000 2.582 83 I HA 0.314 4.511 4.170 0.044 0.000 0.292 83 I C -1.043 175.077 176.117 0.005 0.000 1.066 83 I CA -1.274 60.053 61.300 0.044 0.000 1.053 83 I CB 4.066 42.076 38.000 0.016 0.000 1.241 83 I HN 0.985 9.269 8.210 0.122 0.000 0.421 84 S N 6.241 121.933 115.700 -0.012 0.000 2.617 84 S HA 0.153 4.711 4.470 -0.038 -0.111 0.269 84 S C -0.708 173.860 174.600 -0.053 0.000 1.292 84 S CA 0.666 58.845 58.200 -0.034 0.000 1.010 84 S CB 1.040 64.221 63.200 -0.033 0.000 0.944 84 S HN 0.485 8.791 8.310 -0.006 0.000 0.536 85 A N 2.229 125.015 122.820 -0.057 0.000 2.327 85 A HA 0.404 4.801 4.320 -0.102 -0.138 0.283 85 A C -0.455 177.085 177.584 -0.075 0.000 1.127 85 A CA -0.787 51.206 52.037 -0.075 0.000 0.810 85 A CB 0.905 19.875 19.000 -0.050 0.000 1.066 85 A HN -0.189 7.931 8.150 -0.050 0.000 0.492 86 S N 2.050 117.686 115.700 -0.106 0.000 2.499 86 S HA 0.091 4.525 4.470 -0.061 0.000 0.225 86 S C 0.418 174.982 174.600 -0.060 0.000 1.050 86 S CA 1.169 59.318 58.200 -0.086 0.000 0.928 86 S CB 1.429 64.559 63.200 -0.116 0.000 0.803 86 S HN 0.727 8.831 8.310 -0.156 0.112 0.506 87 K N 0.868 121.224 120.400 -0.073 0.000 2.575 87 K HA 0.234 4.571 4.320 0.028 0.000 0.279 87 K C -2.470 174.152 176.600 0.038 0.000 0.969 87 K CA 0.322 56.608 56.287 -0.001 0.000 0.868 87 K CB 2.954 35.461 32.500 0.011 0.000 1.457 87 K HN -0.819 7.355 8.250 -0.126 0.000 0.426 88 S N 2.375 118.145 115.700 0.117 0.000 2.526 88 S HA 0.897 5.646 4.470 0.176 -0.173 0.293 88 S C -0.928 173.790 174.600 0.196 0.000 1.092 88 S CA -0.727 57.583 58.200 0.183 0.000 0.980 88 S CB 2.543 65.897 63.200 0.256 0.000 1.048 88 S HN 0.119 8.502 8.310 0.121 0.000 0.483 89 I N 7.012 127.718 120.570 0.227 0.000 2.476 89 I HA 0.189 4.461 4.170 0.170 0.000 0.281 89 I C -1.684 174.589 176.117 0.260 0.000 1.040 89 I CA -0.458 60.978 61.300 0.227 0.000 1.094 89 I CB 2.761 40.912 38.000 0.252 0.000 1.219 89 I HN 0.932 9.293 8.210 0.251 0.000 0.450 90 V N 7.284 127.286 119.914 0.146 0.000 2.607 90 V HA -0.106 4.070 4.120 0.092 0.000 0.289 90 V C -0.371 175.785 176.094 0.104 0.000 1.053 90 V CA -0.823 61.522 62.300 0.074 0.000 0.996 90 V CB 1.059 32.836 31.823 -0.077 0.000 0.995 90 V HN 0.269 8.507 8.190 0.079 0.000 0.476 91 H N 8.128 127.126 119.070 -0.120 0.000 3.064 91 H HA -0.081 4.001 4.556 -0.790 0.000 0.329 91 H C -0.011 175.198 175.328 -0.199 0.000 1.020 91 H CA 0.899 56.674 56.048 -0.456 0.000 1.402 91 H CB 1.648 31.040 29.762 -0.617 0.000 1.379 91 H HN -0.187 8.103 8.280 0.016 0.000 0.594 92 P HA -0.123 4.245 4.420 -0.086 0.000 0.217 92 P C -0.295 176.986 177.300 -0.032 0.000 1.148 92 P CA 1.746 64.720 63.100 -0.211 0.000 0.828 92 P CB 0.322 31.875 31.700 -0.246 0.000 0.783 93 S N -2.656 113.133 115.700 0.148 0.000 2.574 93 S HA 0.055 4.574 4.470 0.081 0.000 0.242 93 S C -1.090 173.620 174.600 0.183 0.000 0.982 93 S CA -0.095 58.217 58.200 0.187 0.000 0.977 93 S CB 0.727 64.043 63.200 0.193 0.000 0.814 93 S HN -0.407 8.029 8.310 0.260 0.031 0.464 94 Y N 3.790 124.131 120.300 0.068 0.000 2.526 94 Y HA -0.290 4.429 4.550 -0.037 -0.191 0.330 94 Y C -0.803 175.088 175.900 -0.015 0.000 1.156 94 Y CA 0.878 58.976 58.100 -0.004 0.000 1.419 94 Y CB 0.841 39.297 38.460 -0.007 0.000 1.250 94 Y HN -0.751 7.548 8.280 0.299 0.160 0.540 95 N N 7.294 125.611 118.700 -0.638 0.000 2.518 95 N HA 0.234 4.698 4.740 -0.459 0.000 0.254 95 N C -0.270 174.673 175.510 -0.945 0.000 0.979 95 N CA -1.150 51.546 53.050 -0.590 0.000 0.930 95 N CB 1.513 39.827 38.487 -0.288 0.000 1.152 95 N HN -0.208 7.884 8.380 -0.479 0.000 0.505 96 S N 5.979 121.134 115.700 -0.908 0.000 2.555 96 S HA -0.085 3.958 4.470 -0.711 0.000 0.230 96 S C 0.940 175.357 174.600 -0.306 0.000 0.978 96 S CA 2.248 60.095 58.200 -0.588 0.000 0.934 96 S CB -0.209 62.857 63.200 -0.224 0.000 0.766 96 S HN 0.697 8.601 8.310 -0.677 0.000 0.533 97 N N 1.194 119.718 118.700 -0.293 0.000 2.290 97 N HA -0.051 4.573 4.740 -0.194 0.000 0.179 97 N C 0.985 176.336 175.510 -0.265 0.000 1.016 97 N CA 2.267 55.183 53.050 -0.223 0.000 0.871 97 N CB 0.699 39.081 38.487 -0.174 0.000 0.987 97 N HN 0.077 8.491 8.380 -0.326 -0.230 0.431 98 T N -4.054 110.333 114.554 -0.278 0.000 3.001 98 T HA 0.091 4.229 4.350 -0.352 0.000 0.251 98 T C 0.060 174.557 174.700 -0.338 0.000 1.040 98 T CA -0.280 61.642 62.100 -0.298 0.000 0.985 98 T CB 1.544 70.297 68.868 -0.191 0.000 1.011 98 T HN -0.631 7.647 8.240 -0.279 -0.205 0.509 99 L N -3.592 117.468 121.223 -0.272 0.000 4.089 99 L HA -0.502 3.922 4.340 0.009 -0.078 0.408 99 L C -1.880 175.023 176.870 0.055 0.000 1.184 99 L CA 0.423 55.213 54.840 -0.084 0.000 0.947 99 L CB -2.733 39.226 42.059 -0.168 0.000 2.066 99 L HN -0.271 7.771 8.230 -0.313 0.000 0.851 100 N N -0.752 117.933 118.700 -0.026 0.000 2.520 100 N HA -0.140 4.660 4.740 0.100 0.000 0.273 100 N C -0.123 175.439 175.510 0.086 0.000 1.155 100 N CA 0.616 53.693 53.050 0.045 0.000 0.967 100 N CB 1.158 39.643 38.487 -0.003 0.000 1.092 100 N HN -0.744 7.520 8.380 -0.130 0.038 0.457 101 N N -0.760 117.990 118.700 0.084 0.000 2.756 101 N HA -0.467 4.208 4.740 -0.107 0.000 0.248 101 N C -1.406 174.077 175.510 -0.045 0.000 1.062 101 N CA 1.342 54.335 53.050 -0.094 0.000 0.696 101 N CB -1.470 36.861 38.487 -0.260 0.000 0.946 101 N HN 0.621 9.075 8.380 0.124 0.000 0.548 102 D N -0.734 119.694 120.400 0.046 0.000 2.551 102 D HA 0.082 4.719 4.640 -0.005 0.000 0.223 102 D C -2.089 174.135 176.300 -0.128 0.000 1.144 102 D CA -0.355 53.670 54.000 0.043 0.000 1.025 102 D CB -0.699 40.237 40.800 0.226 0.000 1.085 102 D HN -0.041 8.376 8.370 0.077 0.000 0.506 103 I N 1.804 122.227 120.570 -0.246 0.000 2.827 103 I HA 0.753 5.036 4.170 -0.100 -0.173 0.298 103 I C -3.069 173.019 176.117 -0.047 0.000 1.235 103 I CA -1.522 59.673 61.300 -0.175 0.000 1.021 103 I CB 3.853 41.645 38.000 -0.347 0.000 1.259 103 I HN -0.193 7.808 8.210 -0.277 0.043 0.427 104 M N 4.054 123.704 119.600 0.082 0.000 2.520 104 M HA 0.802 5.604 4.480 0.323 -0.128 0.283 104 M C -2.807 173.634 176.300 0.235 0.000 1.237 104 M CA -0.999 54.419 55.300 0.196 0.000 0.885 104 M CB 4.715 37.377 32.600 0.103 0.000 1.727 104 M HN 0.546 8.877 8.290 0.068 0.000 0.468 105 L N -0.055 121.335 121.223 0.279 0.000 2.334 105 L HA 0.912 5.580 4.340 0.248 -0.179 0.276 105 L C -1.266 175.796 176.870 0.320 0.000 1.014 105 L CA -1.472 53.535 54.840 0.279 0.000 0.815 105 L CB 3.619 45.788 42.059 0.184 0.000 1.268 105 L HN 0.580 8.899 8.230 0.323 0.106 0.428 106 I N 0.855 121.601 120.570 0.295 0.000 2.466 106 I HA 0.504 4.898 4.170 0.110 -0.158 0.289 106 I C -1.773 174.293 176.117 -0.086 0.000 1.026 106 I CA -1.257 60.113 61.300 0.117 0.000 1.078 106 I CB 3.167 41.209 38.000 0.071 0.000 1.249 106 I HN 0.889 9.296 8.210 0.329 0.000 0.429 107 K N 6.650 126.811 120.400 -0.398 0.000 2.159 107 K HA 0.652 4.359 4.320 -1.289 -0.160 0.266 107 K C -1.070 175.250 176.600 -0.467 0.000 0.975 107 K CA -1.971 53.747 56.287 -0.948 0.000 0.865 107 K CB 3.186 34.942 32.500 -1.241 0.000 1.087 107 K HN 0.763 8.872 8.250 -0.235 0.000 0.446 108 L N 4.957 125.922 121.223 -0.430 0.000 2.371 108 L HA 0.149 4.500 4.340 -0.168 -0.112 0.272 108 L C 1.733 178.481 176.870 -0.202 0.000 1.124 108 L CA 0.200 54.903 54.840 -0.228 0.000 0.816 108 L CB 0.275 42.238 42.059 -0.159 0.000 1.129 108 L HN 0.695 8.580 8.230 -0.576 0.000 0.448 109 K N 2.605 122.928 120.400 -0.129 0.000 2.211 109 K HA -0.240 4.013 4.320 -0.112 0.000 0.203 109 K C 0.058 176.609 176.600 -0.082 0.000 1.050 109 K CA 2.487 58.715 56.287 -0.098 0.000 0.945 109 K CB 0.411 32.873 32.500 -0.063 0.000 0.732 109 K HN 0.609 8.797 8.250 -0.105 0.000 0.451 110 S N -3.842 111.814 115.700 -0.074 0.000 2.570 110 S HA 0.135 4.574 4.470 -0.051 0.000 0.286 110 S C -1.882 172.684 174.600 -0.056 0.000 1.099 110 S CA -1.295 56.873 58.200 -0.053 0.000 0.913 110 S CB 2.309 65.489 63.200 -0.033 0.000 1.085 110 S HN -0.488 7.750 8.310 -0.077 0.026 0.480 111 A N 1.662 124.458 122.820 -0.040 0.000 2.401 111 A HA 0.101 4.560 4.320 -0.041 -0.164 0.259 111 A C -0.512 177.064 177.584 -0.015 0.000 1.103 111 A CA -0.229 51.792 52.037 -0.028 0.000 0.789 111 A CB 0.804 19.798 19.000 -0.011 0.000 1.035 111 A HN 0.205 8.335 8.150 -0.033 0.000 0.491 112 A N 3.134 125.951 122.820 -0.005 0.000 2.366 112 A HA 0.106 4.497 4.320 -0.000 -0.070 0.249 112 A C -0.376 177.213 177.584 0.009 0.000 1.084 112 A CA -0.732 51.309 52.037 0.005 0.000 0.794 112 A CB 0.993 20.005 19.000 0.020 0.000 1.034 112 A HN 0.456 8.495 8.150 -0.006 0.107 0.491 113 S N 0.827 116.531 115.700 0.006 0.000 2.410 113 S HA 0.118 4.593 4.470 0.008 0.000 0.304 113 S C -0.987 173.621 174.600 0.014 0.000 1.095 113 S CA -0.504 57.700 58.200 0.006 0.000 1.089 113 S CB 0.186 63.384 63.200 -0.004 0.000 0.968 113 S HN 0.069 8.744 8.310 0.002 -0.364 0.480 114 L N 6.705 127.941 121.223 0.021 0.000 2.371 114 L HA 0.065 4.550 4.340 0.033 -0.126 0.272 114 L C -0.266 176.617 176.870 0.022 0.000 1.124 114 L CA -0.041 54.816 54.840 0.029 0.000 0.816 114 L CB 0.392 42.473 42.059 0.037 0.000 1.129 114 L HN 0.301 8.543 8.230 0.020 0.000 0.448 115 N N 3.148 121.863 118.700 0.024 0.000 3.449 115 N HA 0.162 4.912 4.740 0.018 0.000 0.312 115 N C -0.373 175.150 175.510 0.023 0.000 1.582 115 N CA -0.476 52.585 53.050 0.018 0.000 0.850 115 N CB 0.791 39.284 38.487 0.010 0.000 1.822 115 N HN 0.385 8.783 8.380 0.030 0.000 0.577 116 S N -0.914 114.797 115.700 0.018 0.000 2.382 116 S HA -0.272 4.213 4.470 0.025 0.000 0.228 116 S C 0.534 175.146 174.600 0.019 0.000 1.027 116 S CA 3.007 61.219 58.200 0.020 0.000 0.991 116 S CB -0.231 62.978 63.200 0.015 0.000 0.823 116 S HN 0.343 8.661 8.310 0.014 0.000 0.469 117 R N -1.372 119.137 120.500 0.015 0.000 2.240 117 R HA -0.111 4.233 4.340 0.007 0.000 0.203 117 R C -1.393 174.917 176.300 0.017 0.000 1.011 117 R CA 1.084 57.191 56.100 0.012 0.000 1.007 117 R CB 0.919 31.224 30.300 0.009 0.000 0.911 117 R HN -0.219 8.289 8.270 0.013 -0.231 0.468 118 V N -1.573 118.357 119.914 0.027 0.000 2.447 118 V HA 0.278 4.616 4.120 0.042 -0.192 0.292 118 V C -2.045 174.083 176.094 0.057 0.000 1.021 118 V CA -1.180 61.145 62.300 0.041 0.000 0.850 118 V CB 2.293 34.137 31.823 0.036 0.000 1.005 118 V HN -0.714 7.499 8.190 0.025 -0.008 0.426 119 A N 7.125 129.995 122.820 0.084 0.000 2.527 119 A HA 0.648 5.018 4.320 0.083 0.000 0.293 119 A C -2.798 174.878 177.584 0.153 0.000 1.117 119 A CA -1.793 50.308 52.037 0.107 0.000 0.723 119 A CB 2.976 22.044 19.000 0.113 0.000 1.313 119 A HN 0.122 8.202 8.150 0.087 0.123 0.411 120 S N -1.711 114.067 115.700 0.129 0.000 2.687 120 S HA 0.690 5.394 4.470 0.167 -0.134 0.283 120 S C -0.846 173.814 174.600 0.101 0.000 1.170 120 S CA -1.057 57.221 58.200 0.130 0.000 1.008 120 S CB 2.012 65.267 63.200 0.091 0.000 1.026 120 S HN -0.035 8.335 8.310 0.100 0.000 0.541 121 I N 0.716 121.303 120.570 0.028 0.000 2.562 121 I HA 0.250 4.351 4.170 -0.115 0.000 0.301 121 I C -1.556 174.515 176.117 -0.078 0.000 1.003 121 I CA -1.798 59.418 61.300 -0.139 0.000 1.127 121 I CB 3.722 41.420 38.000 -0.505 0.000 1.304 121 I HN 0.393 8.635 8.210 0.054 0.000 0.446 122 S N 6.514 122.165 115.700 -0.082 0.000 2.584 122 S HA 0.209 4.664 4.470 -0.025 0.000 0.273 122 S C -0.770 173.802 174.600 -0.046 0.000 1.311 122 S CA -0.157 58.016 58.200 -0.046 0.000 1.034 122 S CB 0.691 63.868 63.200 -0.037 0.000 0.939 122 S HN 0.365 8.612 8.310 -0.105 0.000 0.513 123 L N 2.412 123.622 121.223 -0.022 0.000 2.399 123 L HA 0.212 4.550 4.340 -0.003 0.000 0.266 123 L C -1.199 175.666 176.870 -0.009 0.000 1.114 123 L CA -2.402 52.435 54.840 -0.005 0.000 0.804 123 L CB 0.343 42.406 42.059 0.006 0.000 1.146 123 L HN 0.239 8.459 8.230 -0.017 0.000 0.451 124 P HA 0.129 4.537 4.420 -0.020 0.000 0.276 124 P C -1.139 176.158 177.300 -0.005 0.000 1.244 124 P CA -0.509 62.586 63.100 -0.009 0.000 0.801 124 P CB 0.496 32.191 31.700 -0.009 0.000 1.006 128 c N 0.240 118.809 118.600 -0.050 0.000 2.480 128 c HA 0.098 4.621 4.570 -0.079 0.000 0.358 128 c C -0.097 173.931 174.090 -0.104 0.000 1.309 128 c CA -0.454 55.828 56.329 -0.079 0.000 2.465 128 c CB 0.627 43.093 42.510 -0.073 0.000 2.379 128 c HN -0.031 8.173 8.230 -0.044 0.000 0.642 129 A N 0.258 122.980 122.820 -0.162 0.000 2.311 129 A HA 0.167 4.413 4.320 -0.122 0.000 0.334 129 A C -1.281 176.197 177.584 -0.177 0.000 1.139 129 A CA -0.552 51.383 52.037 -0.169 0.000 0.830 129 A CB 1.458 20.328 19.000 -0.217 0.000 1.234 129 A HN 0.163 8.187 8.150 -0.210 0.000 0.483 133 G N 0.974 109.735 108.800 -0.065 0.000 2.234 133 G HA2 -0.309 3.620 3.960 -0.052 0.000 0.235 133 G HA3 -0.309 3.625 3.960 -0.044 0.000 0.235 133 G C -0.294 174.570 174.900 -0.060 0.000 0.997 133 G CA -0.059 45.008 45.100 -0.054 0.000 0.623 133 G HN 0.683 8.818 8.290 -0.070 0.114 0.514 134 T N 4.904 119.410 114.554 -0.079 0.000 2.916 134 T HA -0.079 4.236 4.350 -0.059 0.000 0.303 134 T C -0.509 174.148 174.700 -0.073 0.000 1.025 134 T CA 1.976 64.030 62.100 -0.077 0.000 1.142 134 T CB 0.412 69.217 68.868 -0.105 0.000 0.947 134 T HN -0.282 7.822 8.240 -0.093 0.081 0.544 135 Q N 4.131 123.903 119.800 -0.048 0.000 2.243 135 Q HA 0.151 4.595 4.340 -0.043 -0.131 0.252 135 Q C -0.598 175.384 176.000 -0.029 0.000 0.909 135 Q CA 0.018 55.802 55.803 -0.031 0.000 0.922 135 Q CB 1.445 30.183 28.738 0.000 0.000 1.215 135 Q HN 0.161 8.408 8.270 -0.039 0.000 0.427 136 c N 0.717 119.301 118.600 -0.027 0.000 2.913 136 c HA 0.630 5.308 4.570 -0.015 -0.117 0.322 136 c C -1.700 172.398 174.090 0.013 0.000 1.292 136 c CA -1.353 54.964 56.329 -0.020 0.000 1.649 136 c CB 4.278 46.757 42.510 -0.052 0.000 2.139 136 c HN 0.707 8.810 8.230 -0.029 0.110 0.475 137 L N 0.721 121.960 121.223 0.027 0.000 2.333 137 L HA 0.840 5.392 4.340 0.058 -0.177 0.280 137 L C -2.258 174.632 176.870 0.033 0.000 1.004 137 L CA -1.328 53.543 54.840 0.051 0.000 0.820 137 L CB 3.277 45.389 42.059 0.089 0.000 1.247 137 L HN 0.608 8.744 8.230 0.020 0.106 0.416 138 I N 7.554 128.128 120.570 0.008 0.000 2.474 138 I HA 0.870 5.290 4.170 0.028 -0.232 0.294 138 I C -1.408 174.684 176.117 -0.042 0.000 1.005 138 I CA -1.539 59.764 61.300 0.004 0.000 1.113 138 I CB 2.750 40.754 38.000 0.007 0.000 1.289 138 I HN 0.865 9.079 8.210 0.007 0.000 0.436 139 S N 2.440 118.111 115.700 -0.049 0.000 2.588 139 S HA 0.978 5.474 4.470 -0.212 -0.153 0.275 139 S C -1.196 173.294 174.600 -0.183 0.000 1.130 139 S CA -1.702 56.395 58.200 -0.171 0.000 0.855 139 S CB 3.753 66.816 63.200 -0.228 0.000 1.116 139 S HN -0.198 8.117 8.310 0.007 0.000 0.472 140 G N -1.232 107.365 108.800 -0.337 0.000 2.321 140 G HA2 0.146 3.868 3.960 -0.397 0.000 0.298 140 G HA3 0.146 4.208 3.960 -0.047 -0.129 0.298 140 G C -2.346 172.339 174.900 -0.359 0.000 1.385 140 G CA 0.586 45.514 45.100 -0.287 0.000 0.856 140 G HN 0.344 8.377 8.290 -0.429 0.000 0.584 141 W N 1.312 122.590 121.300 -0.037 0.000 3.015 141 W HA 0.407 5.028 4.660 -0.064 0.000 0.429 141 W C -0.290 176.284 176.519 0.091 0.000 0.976 141 W CA -0.959 56.337 57.345 -0.081 0.000 2.086 141 W CB -0.031 29.198 29.460 -0.385 0.000 1.125 141 W HN 0.580 8.945 8.180 0.309 0.000 0.721 142 G N 0.706 109.662 108.800 0.261 0.000 2.588 142 G HA2 0.006 4.272 3.960 0.497 0.000 0.281 142 G HA3 0.006 4.266 3.960 0.219 -0.168 0.281 142 G C -0.974 173.910 174.900 -0.027 0.000 1.236 142 G CA -0.951 44.304 45.100 0.258 0.000 0.969 142 G HN -0.351 8.195 8.290 0.154 -0.163 0.504 143 N N -0.471 118.051 118.700 -0.298 0.000 2.353 143 N HA -0.296 3.997 4.740 -1.043 -0.179 0.248 143 N C 0.764 176.126 175.510 -0.246 0.000 1.240 143 N CA 1.228 53.914 53.050 -0.607 0.000 0.862 143 N CB 0.585 38.771 38.487 -0.501 0.000 1.086 143 N HN 0.076 8.402 8.380 -0.091 0.000 0.453 144 T N -0.352 114.071 114.554 -0.218 0.000 3.085 144 T HA 0.188 4.612 4.350 -0.080 -0.121 0.264 144 T C 0.020 174.675 174.700 -0.075 0.000 1.019 144 T CA 0.142 62.179 62.100 -0.104 0.000 0.910 144 T CB 1.383 70.207 68.868 -0.073 0.000 1.059 144 T HN 0.280 8.349 8.240 -0.286 0.000 0.542 145 K N 1.660 122.008 120.400 -0.087 0.000 2.259 145 K HA 0.379 4.680 4.320 -0.032 0.000 0.252 145 K C -0.326 176.256 176.600 -0.030 0.000 0.936 145 K CA -2.137 54.122 56.287 -0.046 0.000 0.810 145 K CB 2.452 34.927 32.500 -0.041 0.000 1.143 145 K HN -0.761 7.647 8.250 -0.134 -0.238 0.427 146 S N 1.382 117.076 115.700 -0.010 0.000 2.406 146 S HA -0.153 4.389 4.470 0.007 -0.068 0.224 146 S C 0.020 174.625 174.600 0.009 0.000 1.030 146 S CA 2.007 60.210 58.200 0.005 0.000 0.958 146 S CB 0.565 63.772 63.200 0.012 0.000 0.811 146 S HN 0.223 8.528 8.310 -0.008 0.000 0.489 147 S N 1.118 116.821 115.700 0.006 0.000 2.406 147 S HA 0.136 4.616 4.470 0.016 0.000 0.224 147 S C -0.986 173.619 174.600 0.008 0.000 1.426 147 S CA -0.481 57.726 58.200 0.011 0.000 1.179 147 S CB 0.366 63.573 63.200 0.012 0.000 1.042 147 S HN -0.435 7.876 8.310 0.002 0.000 0.479 148 G N 3.113 111.918 108.800 0.009 0.000 2.369 148 G HA2 -0.153 3.819 3.960 0.020 0.000 0.293 148 G HA3 -0.153 3.810 3.960 0.006 0.000 0.293 148 G C -2.664 172.238 174.900 0.003 0.000 1.301 148 G CA -0.209 44.897 45.100 0.010 0.000 0.913 148 G HN -0.340 7.957 8.290 0.011 0.000 0.540 149 T N 0.043 114.605 114.554 0.014 0.000 2.881 149 T HA 0.190 4.683 4.350 -0.061 -0.181 0.291 149 T C -1.452 173.252 174.700 0.007 0.000 0.990 149 T CA -0.188 61.921 62.100 0.014 0.000 0.976 149 T CB 2.257 71.200 68.868 0.124 0.000 0.970 149 T HN -0.081 8.173 8.240 0.024 0.000 0.438 150 S N 6.001 121.635 115.700 -0.109 0.000 2.706 150 S HA 0.201 4.713 4.470 0.070 0.000 0.270 150 S C -2.239 172.260 174.600 -0.169 0.000 1.163 150 S CA 0.446 58.622 58.200 -0.040 0.000 1.042 150 S CB 1.161 64.342 63.200 -0.032 0.000 1.079 150 S HN 0.517 9.004 8.310 -0.292 -0.352 0.474 151 Y N 5.746 126.081 120.300 0.058 0.000 2.335 151 Y HA 0.267 4.869 4.550 0.088 0.000 0.339 151 Y C -1.192 174.755 175.900 0.077 0.000 0.987 151 Y CA -2.762 55.385 58.100 0.079 0.000 1.140 151 Y CB 0.812 39.325 38.460 0.087 0.000 1.173 151 Y HN 0.139 8.595 8.280 0.293 0.000 0.486 152 P HA 0.387 4.879 4.420 0.121 0.000 0.278 152 P C -1.676 175.754 177.300 0.217 0.000 1.258 152 P CA -0.747 62.446 63.100 0.155 0.000 0.811 152 P CB 2.218 33.976 31.700 0.097 0.000 1.063 153 D N -1.601 118.907 120.400 0.179 0.000 2.388 153 D HA -0.047 4.673 4.640 0.133 0.000 0.208 153 D C -1.458 175.016 176.300 0.289 0.000 1.035 153 D CA 0.853 54.954 54.000 0.169 0.000 0.875 153 D CB 0.934 41.789 40.800 0.092 0.000 0.984 153 D HN 0.421 8.874 8.370 0.138 0.000 0.508 154 V N -7.342 112.730 119.914 0.264 0.000 2.850 154 V HA 0.607 5.206 4.120 0.390 -0.245 0.315 154 V C -0.824 175.306 176.094 0.061 0.000 1.064 154 V CA -2.788 59.660 62.300 0.247 0.000 0.979 154 V CB 2.117 34.003 31.823 0.105 0.000 1.039 154 V HN -0.946 7.354 8.190 0.182 0.000 0.452 155 L N 2.157 123.278 121.223 -0.170 0.000 2.455 155 L HA -0.039 3.533 4.340 -1.281 0.000 0.272 155 L C -0.270 176.348 176.870 -0.419 0.000 1.174 155 L CA 0.767 55.184 54.840 -0.705 0.000 0.869 155 L CB 0.743 42.366 42.059 -0.727 0.000 1.130 155 L HN -0.079 8.340 8.230 0.029 -0.171 0.474 156 K N 5.405 125.533 120.400 -0.453 0.000 2.203 156 K HA 0.690 4.971 4.320 -0.336 -0.163 0.251 156 K C -1.253 175.091 176.600 -0.427 0.000 0.944 156 K CA -2.568 53.507 56.287 -0.355 0.000 0.829 156 K CB 2.720 35.077 32.500 -0.238 0.000 1.125 156 K HN -0.092 7.815 8.250 -0.572 0.000 0.430 157 c N -0.442 117.802 118.600 -0.593 0.000 2.707 157 c HA 0.994 5.506 4.570 -0.401 -0.182 0.313 157 c C -1.802 171.922 174.090 -0.610 0.000 1.209 157 c CA -0.857 55.069 56.329 -0.670 0.000 1.635 157 c CB 3.690 45.618 42.510 -0.970 0.000 2.206 157 c HN 0.866 8.568 8.230 -0.701 0.108 0.485 158 L N 0.937 122.014 121.223 -0.243 0.000 2.526 158 L HA 0.443 4.843 4.340 0.100 0.000 0.263 158 L C -2.582 174.357 176.870 0.116 0.000 0.943 158 L CA 0.209 55.057 54.840 0.014 0.000 0.859 158 L CB 4.394 46.474 42.059 0.035 0.000 1.313 158 L HN 0.661 8.779 8.230 -0.187 0.000 0.406 159 K N 6.347 126.876 120.400 0.216 0.000 2.185 159 K HA 0.916 5.543 4.320 0.123 -0.234 0.269 159 K C -0.955 175.772 176.600 0.212 0.000 0.987 159 K CA -0.975 55.419 56.287 0.177 0.000 0.865 159 K CB 1.657 34.266 32.500 0.181 0.000 1.090 159 K HN 0.325 8.741 8.250 0.277 0.000 0.450 160 A N 3.814 126.694 122.820 0.100 0.000 2.574 160 A HA 0.664 4.984 4.320 -0.001 0.000 0.297 160 A C -3.425 174.088 177.584 -0.119 0.000 1.062 160 A CA -2.492 49.532 52.037 -0.022 0.000 0.686 160 A CB 2.988 21.970 19.000 -0.030 0.000 1.285 160 A HN 0.746 8.926 8.150 0.050 0.000 0.403 161 P HA 0.720 5.285 4.420 -0.102 -0.207 0.282 161 P C -1.129 176.092 177.300 -0.130 0.000 1.259 161 P CA -1.482 61.528 63.100 -0.151 0.000 0.826 161 P CB 1.657 33.270 31.700 -0.145 0.000 1.064 162 I N -0.598 119.917 120.570 -0.092 0.000 2.529 162 I HA -0.045 4.261 4.170 0.052 -0.105 0.284 162 I C 0.128 176.224 176.117 -0.035 0.000 1.082 162 I CA 0.484 61.758 61.300 -0.043 0.000 1.406 162 I CB 0.486 38.389 38.000 -0.162 0.000 1.405 162 I HN 0.056 8.204 8.210 -0.102 0.000 0.548 163 L N 6.248 127.485 121.223 0.023 0.000 2.387 163 L HA 0.285 4.612 4.340 -0.023 0.000 0.266 163 L C -0.507 176.379 176.870 0.027 0.000 1.059 163 L CA -1.113 53.733 54.840 0.010 0.000 0.801 163 L CB 0.897 42.970 42.059 0.023 0.000 1.223 163 L HN 0.361 8.547 8.230 0.101 0.104 0.456 164 S N -0.744 114.965 115.700 0.015 0.000 2.579 164 S HA -0.069 4.406 4.470 0.009 0.000 0.275 164 S C 0.663 175.288 174.600 0.041 0.000 1.345 164 S CA -0.590 57.621 58.200 0.018 0.000 1.031 164 S CB 1.193 64.398 63.200 0.009 0.000 0.892 164 S HN 0.100 8.413 8.310 0.005 0.000 0.529 165 D N 2.820 123.247 120.400 0.044 0.000 2.219 165 D HA -0.244 4.448 4.640 0.086 0.000 0.205 165 D C 1.863 178.196 176.300 0.055 0.000 0.970 165 D CA 3.548 57.586 54.000 0.063 0.000 0.851 165 D CB -0.362 40.473 40.800 0.058 0.000 0.943 165 D HN 0.536 8.925 8.370 0.031 0.000 0.488 166 S N -0.741 114.981 115.700 0.037 0.000 2.368 166 S HA -0.306 4.186 4.470 0.036 0.000 0.225 166 S C 1.885 176.502 174.600 0.029 0.000 1.030 166 S CA 3.462 61.681 58.200 0.031 0.000 0.999 166 S CB -0.224 62.988 63.200 0.020 0.000 0.844 166 S HN 0.122 8.433 8.310 0.030 0.016 0.459 167 S N 2.903 118.618 115.700 0.026 0.000 2.428 167 S HA -0.060 4.413 4.470 0.005 0.000 0.230 167 S C 1.904 176.518 174.600 0.024 0.000 1.014 167 S CA 2.973 61.182 58.200 0.015 0.000 0.957 167 S CB -0.337 62.869 63.200 0.011 0.000 0.784 167 S HN -0.438 7.887 8.310 0.026 0.000 0.499 168 c N 3.748 122.382 118.600 0.057 0.000 2.462 168 c HA -0.234 4.400 4.570 0.108 0.000 0.278 168 c C 1.976 176.146 174.090 0.134 0.000 1.253 168 c CA 2.903 59.294 56.329 0.104 0.000 1.713 168 c CB -1.777 40.802 42.510 0.116 0.000 2.049 168 c HN -0.267 7.884 8.230 0.057 0.113 0.477 169 K N -1.010 119.455 120.400 0.107 0.000 2.148 169 K HA -0.310 4.112 4.320 0.169 0.000 0.204 169 K C 2.191 178.834 176.600 0.072 0.000 1.050 169 K CA 3.066 59.421 56.287 0.114 0.000 0.942 169 K CB -0.051 32.501 32.500 0.086 0.000 0.724 169 K HN 0.136 8.438 8.250 0.087 0.000 0.446 170 S N -1.054 114.664 115.700 0.029 0.000 2.406 170 S HA -0.240 4.236 4.470 0.010 0.000 0.228 170 S C 0.758 175.323 174.600 -0.058 0.000 1.020 170 S CA 2.777 60.975 58.200 -0.004 0.000 0.965 170 S CB -0.059 63.135 63.200 -0.010 0.000 0.798 170 S HN -0.300 8.027 8.310 0.029 0.000 0.488 171 A N -0.697 122.049 122.820 -0.123 0.000 1.929 171 A HA -0.095 4.047 4.320 -0.298 0.000 0.216 171 A C -0.896 176.363 177.584 -0.541 0.000 1.176 171 A CA 1.796 53.606 52.037 -0.378 0.000 0.628 171 A CB 0.865 19.544 19.000 -0.535 0.000 0.816 171 A HN -0.796 7.208 8.150 -0.068 0.106 0.444 172 Y N -5.428 114.916 120.300 0.073 0.000 2.658 172 Y HA 0.473 5.102 4.550 0.131 0.000 0.362 172 Y C -2.557 173.409 175.900 0.109 0.000 1.017 172 Y CA -3.187 54.992 58.100 0.131 0.000 1.134 172 Y CB -0.042 38.562 38.460 0.239 0.000 1.144 172 Y HN -0.587 7.634 8.280 0.045 0.087 0.655 173 P HA 0.025 4.608 4.420 0.104 -0.100 0.264 173 P C 0.496 177.863 177.300 0.113 0.000 1.193 173 P CA 0.394 63.560 63.100 0.110 0.000 0.763 173 P CB 0.211 31.949 31.700 0.063 0.000 0.810 174 G N 4.932 113.790 108.800 0.096 0.000 2.168 174 G HA2 -0.238 3.758 3.960 0.061 0.000 0.263 174 G HA3 -0.238 3.754 3.960 0.054 0.000 0.263 174 G C 0.027 174.977 174.900 0.083 0.000 0.977 174 G CA 0.847 45.990 45.100 0.072 0.000 0.659 174 G HN 0.451 8.796 8.290 0.092 0.000 0.533 175 Q N -2.225 117.662 119.800 0.145 0.000 2.280 175 Q HA 0.084 4.457 4.340 0.054 0.000 0.228 175 Q C -0.289 175.842 176.000 0.219 0.000 0.857 175 Q CA -0.154 55.738 55.803 0.148 0.000 0.939 175 Q CB 1.659 30.519 28.738 0.204 0.000 1.114 175 Q HN -0.289 8.035 8.270 0.188 0.059 0.514 176 I N 0.077 120.779 120.570 0.220 0.000 2.353 176 I HA 0.030 4.353 4.170 0.254 0.000 0.293 176 I C -0.047 176.151 176.117 0.134 0.000 0.992 176 I CA -1.979 59.442 61.300 0.201 0.000 1.268 176 I CB -0.503 37.605 38.000 0.180 0.000 1.387 176 I HN -0.560 7.771 8.210 0.201 0.000 0.478 177 T N 2.047 116.677 114.554 0.127 0.000 2.919 177 T HA 0.374 4.768 4.350 0.073 0.000 0.282 177 T C 0.686 175.439 174.700 0.088 0.000 1.020 177 T CA -2.088 60.065 62.100 0.089 0.000 0.994 177 T CB 2.573 71.486 68.868 0.075 0.000 1.180 177 T HN -0.400 7.933 8.240 0.154 0.000 0.566 178 S N -1.939 113.799 115.700 0.063 0.000 2.507 178 S HA -0.216 4.293 4.470 0.065 0.000 0.235 178 S C 0.404 175.044 174.600 0.066 0.000 0.988 178 S CA 2.226 60.458 58.200 0.054 0.000 0.944 178 S CB -0.224 62.988 63.200 0.021 0.000 0.762 178 S HN 0.287 8.626 8.310 0.048 0.000 0.526 179 N N 0.654 119.405 118.700 0.086 0.000 2.276 179 N HA 0.152 4.946 4.740 0.089 0.000 0.212 179 N C -1.698 173.930 175.510 0.196 0.000 1.127 179 N CA -0.385 52.743 53.050 0.131 0.000 0.834 179 N CB 0.628 39.216 38.487 0.169 0.000 1.014 179 N HN -0.573 7.790 8.380 0.085 0.068 0.491 180 M N -1.462 118.241 119.600 0.172 0.000 2.593 180 M HA 0.786 5.527 4.480 0.098 -0.202 0.290 180 M C -2.138 174.276 176.300 0.190 0.000 1.244 180 M CA -0.334 55.043 55.300 0.129 0.000 0.857 180 M CB 5.219 37.868 32.600 0.082 0.000 1.738 180 M HN -0.740 7.553 8.290 0.152 0.089 0.461 181 F N -4.534 115.454 119.950 0.063 0.000 2.645 181 F HA 0.624 5.175 4.527 0.041 0.000 0.310 181 F C -2.732 173.119 175.800 0.085 0.000 1.102 181 F CA -1.912 56.123 58.000 0.059 0.000 0.952 181 F CB 2.266 41.298 39.000 0.053 0.000 1.326 181 F HN 0.273 8.427 8.300 -0.243 0.000 0.456 182 c N -0.221 118.530 118.600 0.251 0.000 2.391 182 c HA 1.014 5.830 4.570 0.082 -0.197 0.339 182 c C -1.087 173.180 174.090 0.294 0.000 1.205 182 c CA -1.139 55.293 56.329 0.171 0.000 1.937 182 c CB 2.819 45.395 42.510 0.109 0.000 2.341 182 c HN 0.880 9.303 8.230 0.323 0.000 0.516 183 A N 2.626 125.597 122.820 0.252 0.000 2.476 183 A HA 0.654 5.141 4.320 0.057 -0.133 0.280 183 A C -2.261 175.354 177.584 0.052 0.000 1.081 183 A CA -0.545 51.549 52.037 0.095 0.000 0.753 183 A CB 2.769 21.709 19.000 -0.100 0.000 1.248 183 A HN 0.330 8.679 8.150 0.331 0.000 0.424 184 Y N 2.828 123.160 120.300 0.053 0.000 2.436 184 Y HA -0.124 4.446 4.550 0.033 0.000 0.343 184 Y C 1.173 177.090 175.900 0.030 0.000 1.008 184 Y CA -0.706 57.416 58.100 0.036 0.000 1.241 184 Y CB 0.325 38.804 38.460 0.032 0.000 1.153 184 Y HN 0.373 8.761 8.280 0.179 0.000 0.521 185 L N 4.688 125.982 121.223 0.118 0.000 2.275 185 L HA -0.351 4.021 4.340 0.054 0.000 0.215 185 L C 1.173 178.089 176.870 0.077 0.000 1.119 185 L CA 2.518 57.399 54.840 0.069 0.000 0.790 185 L CB -0.364 41.716 42.059 0.036 0.000 0.919 185 L HN 0.644 8.928 8.230 0.090 0.000 0.443 186 E N -3.339 116.925 120.200 0.107 0.000 2.347 186 E HA -0.135 4.244 4.350 0.049 0.000 0.196 186 E C 0.306 176.945 176.600 0.065 0.000 1.008 186 E CA 0.807 57.251 56.400 0.072 0.000 0.852 186 E CB 0.003 29.744 29.700 0.068 0.000 0.783 186 E HN 0.221 8.643 8.360 0.152 0.029 0.505 187 G N -0.465 108.394 108.800 0.099 0.000 3.439 187 G HA2 -0.370 3.714 3.960 0.101 0.000 0.684 187 G HA3 -0.370 3.668 3.960 0.054 -0.046 0.684 187 G C -0.886 174.047 174.900 0.055 0.000 1.005 187 G CA -0.237 44.911 45.100 0.080 0.000 0.837 187 G HN -0.473 7.722 8.290 0.149 0.185 0.470 188 K N 2.452 122.863 120.400 0.019 0.000 6.677 188 K HA -0.593 3.987 4.320 0.032 -0.240 0.638 188 K C -1.173 175.536 176.600 0.181 0.000 2.505 188 K CA 1.019 57.344 56.287 0.063 0.000 1.869 188 K CB 0.162 32.634 32.500 -0.047 0.000 1.896 188 K HN 0.200 8.483 8.250 0.055 0.000 0.278 189 D N 0.380 120.862 120.400 0.137 0.000 2.755 189 D HA 0.249 5.006 4.640 0.195 0.000 0.277 189 D C -1.897 174.471 176.300 0.113 0.000 1.261 189 D CA -0.610 53.479 54.000 0.148 0.000 0.759 189 D CB 3.689 44.559 40.800 0.116 0.000 1.279 189 D HN -0.075 8.351 8.370 0.094 0.000 0.420 190 S N -1.342 114.439 115.700 0.135 0.000 2.713 190 S HA 0.257 4.778 4.470 0.085 0.000 0.277 190 S C -1.459 173.182 174.600 0.069 0.000 1.168 190 S CA -0.218 58.049 58.200 0.111 0.000 0.994 190 S CB 1.697 65.004 63.200 0.180 0.000 1.054 190 S HN 0.217 8.630 8.310 0.171 0.000 0.555 191 c N -1.760 116.881 118.600 0.068 0.000 3.272 191 c HA 0.203 4.805 4.570 0.053 0.000 0.363 191 c C -1.216 172.938 174.090 0.106 0.000 1.514 191 c CA -0.924 55.443 56.329 0.062 0.000 1.185 191 c CB 2.685 45.211 42.510 0.026 0.000 1.716 191 c HN 0.224 8.745 8.230 0.085 -0.240 0.440 192 Q N 0.704 120.579 119.800 0.125 0.000 2.361 192 Q HA -0.144 4.314 4.340 0.196 0.000 0.276 192 Q C 0.949 177.127 176.000 0.296 0.000 1.022 192 Q CA 0.785 56.708 55.803 0.201 0.000 0.898 192 Q CB -0.387 28.478 28.738 0.211 0.000 1.246 192 Q HN 0.476 8.805 8.270 0.097 0.000 0.410 193 G N 3.932 112.927 108.800 0.324 0.000 2.259 193 G HA2 -0.404 3.780 3.960 0.374 0.000 0.217 193 G HA3 -0.404 3.904 3.960 0.581 0.000 0.217 193 G C 0.460 175.601 174.900 0.401 0.000 1.001 193 G CA 0.926 46.285 45.100 0.431 0.000 0.627 193 G HN 0.513 8.971 8.290 0.280 0.000 0.501 194 D N 1.901 122.469 120.400 0.280 0.000 2.346 194 D HA 0.120 4.913 4.640 0.256 0.000 0.206 194 D C 0.106 176.520 176.300 0.191 0.000 1.001 194 D CA 0.875 55.008 54.000 0.222 0.000 0.871 194 D CB 0.481 41.371 40.800 0.150 0.000 0.943 194 D HN -0.124 8.279 8.370 0.244 0.113 0.518 195 S N -0.618 115.202 115.700 0.199 0.000 2.599 195 S HA -0.560 4.164 4.470 0.205 -0.131 0.303 195 S C 1.130 175.779 174.600 0.082 0.000 1.267 195 S CA 2.766 61.083 58.200 0.195 0.000 1.055 195 S CB -0.008 63.401 63.200 0.348 0.000 0.790 195 S HN -0.468 7.938 8.310 0.222 0.037 0.500 196 G N 4.324 113.155 108.800 0.053 0.000 2.225 196 G HA2 -0.457 3.560 3.960 -0.011 0.000 0.254 196 G HA3 -0.457 3.579 3.960 -0.047 -0.104 0.254 196 G C -0.310 174.635 174.900 0.075 0.000 0.988 196 G CA 0.301 45.406 45.100 0.008 0.000 0.625 196 G HN 0.899 9.147 8.290 0.107 0.106 0.527 197 G N 0.830 109.700 108.800 0.116 0.000 2.616 197 G HA2 0.345 4.388 3.960 0.137 0.000 0.268 197 G HA3 0.345 4.387 3.960 0.136 0.000 0.268 197 G C -2.639 172.352 174.900 0.152 0.000 1.213 197 G CA -1.989 43.193 45.100 0.137 0.000 0.926 197 G HN -0.327 7.948 8.290 0.125 0.090 0.523 198 P HA 0.377 5.015 4.420 0.144 -0.132 0.281 198 P C -1.563 175.814 177.300 0.127 0.000 1.249 198 P CA -0.864 62.334 63.100 0.163 0.000 0.810 198 P CB 1.682 33.530 31.700 0.246 0.000 1.008 199 V N 1.725 121.693 119.914 0.091 0.000 2.419 199 V HA 0.326 4.631 4.120 0.006 -0.182 0.287 199 V C -1.317 174.793 176.094 0.027 0.000 1.017 199 V CA -0.437 61.880 62.300 0.027 0.000 0.844 199 V CB 1.977 33.791 31.823 -0.016 0.000 1.011 199 V HN -0.230 8.018 8.190 0.096 0.000 0.429 200 V N 8.022 127.941 119.914 0.009 0.000 2.417 200 V HA 0.670 4.951 4.120 -0.064 -0.199 0.291 200 V C -1.323 174.754 176.094 -0.028 0.000 1.024 200 V CA -1.283 60.992 62.300 -0.041 0.000 0.861 200 V CB 2.883 34.654 31.823 -0.088 0.000 0.985 200 V HN 0.607 8.817 8.190 0.033 0.000 0.436 201 c N 6.540 125.111 118.600 -0.049 0.000 2.482 201 c HA 0.603 5.151 4.570 -0.036 0.000 0.317 201 c C 0.637 174.696 174.090 -0.051 0.000 1.197 201 c CA -1.699 54.599 56.329 -0.052 0.000 1.432 201 c CB 2.132 44.591 42.510 -0.086 0.000 2.062 201 c HN 0.756 8.950 8.230 -0.060 0.000 0.471 202 S N 5.337 121.015 115.700 -0.037 0.000 3.549 202 S HA -0.393 4.064 4.470 -0.021 0.000 0.366 202 S C 0.115 174.695 174.600 -0.033 0.000 1.012 202 S CA 1.325 59.506 58.200 -0.031 0.000 1.141 202 S CB -0.976 62.201 63.200 -0.038 0.000 0.910 202 S HN 1.203 9.496 8.310 -0.029 0.000 0.471 203 G N -4.848 103.932 108.800 -0.034 0.000 2.155 203 G HA2 -0.366 3.568 3.960 -0.043 0.000 0.257 203 G HA3 -0.366 3.575 3.960 -0.031 0.000 0.257 203 G C -0.781 174.073 174.900 -0.077 0.000 0.983 203 G CA 0.421 45.494 45.100 -0.045 0.000 0.676 203 G HN 0.419 8.674 8.290 -0.027 0.019 0.528 210 Q N 1.069 120.893 119.800 0.041 0.000 2.350 210 Q HA 0.220 4.603 4.340 0.071 0.000 0.225 210 Q C -0.334 175.841 176.000 0.291 0.000 0.878 210 Q CA 0.039 55.891 55.803 0.082 0.000 0.935 210 Q CB 2.767 31.471 28.738 -0.057 0.000 1.099 210 Q HN 0.408 8.693 8.270 0.025 0.000 0.527 211 G N -2.812 106.168 108.800 0.301 0.000 2.695 211 G HA2 0.587 5.051 3.960 0.411 0.000 0.290 211 G HA3 0.587 4.810 3.960 0.438 0.000 0.290 211 G C -3.319 171.712 174.900 0.219 0.000 1.410 211 G CA -0.483 44.835 45.100 0.363 0.000 0.844 211 G HN -0.390 8.012 8.290 0.186 0.000 0.478 212 I N -1.174 119.521 120.570 0.209 0.000 2.498 212 I HA 0.530 5.014 4.170 0.176 -0.208 0.290 212 I C -0.435 175.811 176.117 0.215 0.000 1.032 212 I CA -1.377 60.030 61.300 0.178 0.000 1.073 212 I CB 4.212 42.281 38.000 0.115 0.000 1.251 212 I HN -0.417 7.982 8.210 0.191 -0.075 0.426 213 V N 7.404 127.458 119.914 0.232 0.000 2.458 213 V HA -0.237 3.880 4.120 -0.004 0.000 0.287 213 V C -1.139 174.985 176.094 0.051 0.000 1.009 213 V CA 2.162 64.533 62.300 0.119 0.000 1.091 213 V CB -1.121 30.801 31.823 0.165 0.000 0.960 213 V HN 0.540 8.859 8.190 0.214 0.000 0.476 214 S N 7.690 123.310 115.700 -0.133 0.000 3.142 214 S HA 0.426 5.107 4.470 0.351 0.000 0.223 214 S C -0.931 173.718 174.600 0.081 0.000 0.939 214 S CA 1.123 59.378 58.200 0.092 0.000 0.826 214 S CB 1.945 65.190 63.200 0.075 0.000 0.823 214 S HN -0.041 7.972 8.310 -0.496 0.000 0.612 215 W N -4.070 117.046 121.300 -0.306 0.000 3.019 215 W HA 0.288 4.804 4.660 -0.240 0.000 0.412 215 W C -2.541 173.792 176.519 -0.310 0.000 1.087 215 W CA -0.621 56.551 57.345 -0.288 0.000 1.170 215 W CB 0.913 30.202 29.460 -0.285 0.000 1.483 215 W HN -0.073 7.753 8.180 -0.589 0.000 0.606 216 G N -1.862 106.996 108.800 0.096 0.000 2.335 216 G HA2 0.128 3.820 3.960 -0.448 0.000 0.291 216 G HA3 0.128 4.028 3.960 -0.102 0.000 0.291 216 G C -2.160 172.870 174.900 0.217 0.000 1.261 216 G CA 0.252 45.305 45.100 -0.077 0.000 0.871 216 G HN -0.006 8.553 8.290 0.449 0.000 0.491 220 c N 1.927 120.560 118.600 0.056 0.000 3.471 220 c HA 0.311 5.066 4.570 0.056 -0.152 0.191 220 c C -1.495 172.624 174.090 0.047 0.000 1.480 220 c CA -0.769 55.589 56.329 0.049 0.000 1.281 220 c CB -1.131 41.399 42.510 0.034 0.000 1.898 220 c HN 0.326 8.586 8.230 0.050 0.000 0.533 221 Q N -1.634 118.198 119.800 0.055 0.000 2.889 221 Q HA 0.125 4.486 4.340 0.035 0.000 0.262 221 Q C -1.409 174.615 176.000 0.040 0.000 0.966 221 Q CA -0.418 55.411 55.803 0.042 0.000 0.858 221 Q CB 2.611 31.375 28.738 0.042 0.000 1.845 221 Q HN 0.105 8.413 8.270 0.063 0.000 0.464 222 K N 3.718 124.134 120.400 0.028 0.000 2.382 222 K HA -0.260 4.207 4.320 0.036 -0.126 0.275 222 K C -0.004 176.599 176.600 0.004 0.000 1.009 222 K CA 0.847 57.148 56.287 0.023 0.000 0.970 222 K CB 0.254 32.763 32.500 0.015 0.000 0.934 222 K HN 0.232 8.496 8.250 0.024 0.000 0.479 223 N N 2.304 121.003 118.700 -0.001 0.000 2.681 223 N HA -0.479 4.243 4.740 -0.031 0.000 0.250 223 N C -1.587 173.865 175.510 -0.096 0.000 1.133 223 N CA 1.929 54.954 53.050 -0.041 0.000 0.732 223 N CB -1.004 37.451 38.487 -0.054 0.000 1.107 223 N HN 0.786 9.061 8.380 0.017 0.115 0.559 224 K N -1.727 118.648 120.400 -0.042 0.000 2.842 224 K HA 0.523 4.720 4.320 -0.205 0.000 0.176 224 K C -2.394 174.260 176.600 0.089 0.000 1.080 224 K CA -3.679 52.593 56.287 -0.026 0.000 0.954 224 K CB 0.435 32.963 32.500 0.046 0.000 1.203 224 K HN -0.786 7.416 8.250 0.004 0.050 0.611 225 P HA -0.039 4.440 4.420 0.099 0.000 0.273 225 P C -0.623 176.721 177.300 0.074 0.000 1.250 225 P CA -0.431 62.730 63.100 0.101 0.000 0.793 225 P CB 1.135 32.884 31.700 0.082 0.000 1.011 226 G N -2.221 106.601 108.800 0.035 0.000 2.539 226 G HA2 0.287 4.073 3.960 -0.291 0.000 0.258 226 G HA3 0.287 4.131 3.960 -0.193 0.000 0.258 226 G C -1.771 172.837 174.900 -0.486 0.000 1.202 226 G CA -0.685 44.277 45.100 -0.230 0.000 0.851 226 G HN -0.373 7.992 8.290 0.125 0.000 0.556 227 V N 1.550 120.845 119.914 -1.031 0.000 2.495 227 V HA 0.600 4.466 4.120 -0.699 -0.166 0.298 227 V C -0.950 174.375 176.094 -1.281 0.000 1.031 227 V CA -0.939 60.682 62.300 -1.131 0.000 0.871 227 V CB 2.040 32.712 31.823 -1.919 0.000 0.988 227 V HN 0.347 7.900 8.190 -1.063 0.000 0.432 228 Y N 5.261 125.146 120.300 -0.691 0.000 2.499 228 Y HA 0.579 5.048 4.550 -0.379 -0.146 0.347 228 Y C 0.281 175.894 175.900 -0.478 0.000 0.987 228 Y CA -2.313 55.400 58.100 -0.644 0.000 1.044 228 Y CB 3.769 41.584 38.460 -1.075 0.000 1.245 228 Y HN 1.089 8.993 8.280 -0.627 0.000 0.461 229 T N 4.930 119.455 114.554 -0.050 0.000 2.870 229 T HA -0.020 4.540 4.350 0.119 -0.139 0.300 229 T C -0.653 174.197 174.700 0.249 0.000 0.989 229 T CA 1.692 63.855 62.100 0.105 0.000 1.139 229 T CB 0.483 69.408 68.868 0.095 0.000 0.920 229 T HN 0.402 8.641 8.240 -0.002 0.000 0.537 230 K N 8.048 128.676 120.400 0.380 0.000 2.183 230 K HA 0.171 5.042 4.320 0.721 -0.118 0.272 230 K C 1.056 177.907 176.600 0.419 0.000 1.113 230 K CA -0.777 55.805 56.287 0.492 0.000 0.949 230 K CB -0.287 32.452 32.500 0.399 0.000 1.365 230 K HN 0.114 8.474 8.250 0.346 0.098 0.420 231 V N 5.935 126.087 119.914 0.396 0.000 2.469 231 V HA -0.523 3.921 4.120 0.540 0.000 0.251 231 V C 1.361 177.612 176.094 0.263 0.000 1.064 231 V CA 3.842 66.364 62.300 0.369 0.000 1.066 231 V CB -0.296 31.674 31.823 0.244 0.000 0.667 231 V HN 0.265 8.703 8.190 0.412 0.000 0.461 232 c N -4.107 114.581 118.600 0.148 0.000 2.409 232 c HA -0.184 4.426 4.570 0.067 0.000 0.288 232 c C 1.351 175.449 174.090 0.014 0.000 1.395 232 c CA 1.328 57.694 56.329 0.062 0.000 1.792 232 c CB -2.125 40.391 42.510 0.011 0.000 1.847 232 c HN 0.472 8.768 8.230 0.149 0.023 0.534 233 N N 0.635 119.303 118.700 -0.053 0.000 2.467 233 N HA -0.044 4.591 4.740 -0.174 0.000 0.184 233 N C 0.187 175.448 175.510 -0.414 0.000 1.106 233 N CA 1.003 53.881 53.050 -0.287 0.000 0.892 233 N CB 0.082 38.255 38.487 -0.523 0.000 0.969 233 N HN -0.392 7.950 8.380 0.025 0.052 0.454 234 Y N -4.110 116.270 120.300 0.133 0.000 2.557 234 Y HA 0.171 4.876 4.550 0.259 0.000 0.247 234 Y C 0.380 176.423 175.900 0.239 0.000 1.164 234 Y CA -0.680 57.560 58.100 0.234 0.000 1.218 234 Y CB -0.067 38.569 38.460 0.293 0.000 1.210 234 Y HN -0.160 8.025 8.280 0.153 0.187 0.529 235 V N 1.770 121.825 119.914 0.234 0.000 2.343 235 V HA -0.582 3.626 4.120 0.146 0.000 0.247 235 V C 1.581 177.744 176.094 0.114 0.000 1.051 235 V CA 5.108 67.495 62.300 0.145 0.000 1.036 235 V CB -0.657 31.212 31.823 0.078 0.000 0.654 235 V HN -0.338 7.950 8.190 0.163 0.000 0.451 236 S N -0.567 115.207 115.700 0.122 0.000 2.368 236 S HA -0.343 4.151 4.470 0.040 0.000 0.225 236 S C 1.806 176.479 174.600 0.121 0.000 1.030 236 S CA 3.109 61.364 58.200 0.092 0.000 0.999 236 S CB -0.441 62.811 63.200 0.087 0.000 0.844 236 S HN 0.095 8.477 8.310 0.119 0.000 0.459 237 W N 1.954 123.293 121.300 0.065 0.000 2.358 237 W HA -0.161 4.512 4.660 0.022 0.000 0.303 237 W C 1.793 178.318 176.519 0.010 0.000 1.208 237 W CA 2.890 60.272 57.345 0.063 0.000 1.274 237 W CB -0.167 29.401 29.460 0.180 0.000 1.138 237 W HN -0.213 8.206 8.180 0.398 0.000 0.515 238 I N -0.323 120.196 120.570 -0.085 0.000 2.142 238 I HA -0.772 2.888 4.170 -0.851 0.000 0.240 238 I C 1.786 177.646 176.117 -0.428 0.000 1.078 238 I CA 4.619 65.674 61.300 -0.408 0.000 1.343 238 I CB -0.239 37.701 38.000 -0.100 0.000 1.046 238 I HN 0.330 8.699 8.210 0.265 0.000 0.405 239 K N -1.426 118.835 120.400 -0.232 0.000 2.063 239 K HA -0.478 3.689 4.320 -0.254 0.000 0.208 239 K C 2.861 179.311 176.600 -0.250 0.000 1.048 239 K CA 3.792 59.948 56.287 -0.218 0.000 0.928 239 K CB -0.290 32.143 32.500 -0.112 0.000 0.713 239 K HN 0.008 8.185 8.250 -0.120 0.000 0.442 240 Q N -1.996 117.669 119.800 -0.224 0.000 2.079 240 Q HA -0.271 3.982 4.340 -0.145 0.000 0.200 240 Q C 2.511 178.335 176.000 -0.293 0.000 0.974 240 Q CA 3.538 59.224 55.803 -0.195 0.000 0.840 240 Q CB 0.023 28.697 28.738 -0.107 0.000 0.898 240 Q HN 0.138 8.297 8.270 -0.185 0.000 0.430 241 T N 2.627 116.885 114.554 -0.493 0.000 2.737 241 T HA -0.266 3.859 4.350 -0.375 0.000 0.265 241 T C 2.439 176.775 174.700 -0.608 0.000 1.038 241 T CA 4.934 66.689 62.100 -0.575 0.000 1.144 241 T CB -0.225 68.043 68.868 -1.000 0.000 0.866 241 T HN 0.063 7.954 8.240 -0.582 0.000 0.434 242 I N -2.040 118.032 120.570 -0.829 0.000 2.394 242 I HA -0.202 3.028 4.170 -1.566 0.000 0.251 242 I C 1.334 177.195 176.117 -0.426 0.000 1.136 242 I CA 3.040 63.680 61.300 -1.100 0.000 1.425 242 I CB -0.677 36.455 38.000 -1.446 0.000 1.079 242 I HN 0.145 7.881 8.210 -0.789 0.000 0.425 243 A N -0.333 122.307 122.820 -0.299 0.000 2.119 243 A HA -0.133 4.137 4.320 -0.083 0.000 0.217 243 A C 0.626 178.169 177.584 -0.068 0.000 1.153 243 A CA 1.913 53.872 52.037 -0.130 0.000 0.692 243 A CB -0.292 18.640 19.000 -0.113 0.000 0.799 243 A HN -0.218 7.709 8.150 -0.348 0.014 0.458 244 S N -3.572 112.073 115.700 -0.092 0.000 2.557 244 S HA 0.149 4.611 4.470 -0.012 0.000 0.223 244 S C -0.834 173.780 174.600 0.024 0.000 0.969 244 S CA 0.469 58.650 58.200 -0.032 0.000 0.927 244 S CB 0.732 63.903 63.200 -0.048 0.000 0.806 244 S HN -0.513 7.539 8.310 -0.171 0.156 0.489 245 N N 0.000 118.749 118.700 0.082 0.000 1.763 245 N HA 0.000 4.829 4.740 0.148 0.000 0.220 245 N CA 0.000 53.184 53.050 0.223 0.000 0.885 245 N CB 0.000 38.685 38.487 0.331 0.000 1.341 245 N HN 0.000 8.241 8.380 0.048 0.168 0.667