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 1c1r_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 4.173 4.170 0.006 0.000 0.288 16 I C 0.000 176.095 176.117 -0.036 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 16 I CB 0.000 37.954 38.000 -0.077 0.000 1.214 17 V N 4.976 124.883 119.914 -0.012 0.000 2.459 17 V HA 0.281 4.511 4.120 -0.029 -0.127 0.295 17 V C 0.541 176.632 176.094 -0.005 0.000 1.029 17 V CA -1.794 60.497 62.300 -0.014 0.000 0.874 17 V CB 1.255 33.076 31.823 -0.003 0.000 0.985 17 V HN 0.780 8.976 8.190 0.011 0.000 0.438 18 G N 6.626 115.418 108.800 -0.012 0.000 2.198 18 G HA2 -0.400 3.553 3.960 -0.012 0.000 0.260 18 G HA3 -0.400 3.702 3.960 -0.025 -0.157 0.260 18 G C -0.721 174.184 174.900 0.008 0.000 1.025 18 G CA 0.545 45.638 45.100 -0.012 0.000 0.769 18 G HN 0.786 9.066 8.290 -0.017 0.000 0.507 19 G N -1.453 107.348 108.800 0.001 0.000 2.795 19 G HA2 0.561 4.551 3.960 0.072 0.000 0.267 19 G HA3 0.561 4.546 3.960 -0.108 -0.090 0.267 19 G C -1.822 173.111 174.900 0.055 0.000 1.362 19 G CA -1.151 43.946 45.100 -0.005 0.000 1.048 19 G HN -0.650 7.604 8.290 -0.018 0.026 0.547 20 Y N -6.133 114.146 120.300 -0.035 0.000 2.638 20 Y HA 0.401 4.932 4.550 -0.032 0.000 0.339 20 Y C -1.872 174.000 175.900 -0.047 0.000 1.084 20 Y CA -2.743 55.336 58.100 -0.036 0.000 1.068 20 Y CB 1.314 39.756 38.460 -0.030 0.000 1.294 20 Y HN 0.314 8.232 8.280 -0.603 0.000 0.480 21 T N 3.065 117.674 114.554 0.093 0.000 2.799 21 T HA 0.020 4.462 4.350 -0.104 -0.154 0.296 21 T C 0.360 175.101 174.700 0.069 0.000 0.947 21 T CA 1.656 63.758 62.100 0.003 0.000 1.141 21 T CB -0.143 68.749 68.868 0.040 0.000 0.891 21 T HN 0.197 8.543 8.240 0.177 0.000 0.533 22 c N 7.024 125.565 118.600 -0.098 0.000 2.413 22 c HA -0.166 4.441 4.570 0.062 0.000 0.277 22 c C 0.167 174.286 174.090 0.049 0.000 1.228 22 c CA 1.186 57.494 56.329 -0.036 0.000 1.731 22 c CB -0.520 41.892 42.510 -0.162 0.000 2.042 22 c HN 0.548 8.660 8.230 -0.197 0.000 0.468 23 G N -3.029 105.773 108.800 0.004 0.000 2.528 23 G HA2 -0.230 3.745 3.960 0.025 0.000 0.681 23 G HA3 -0.230 3.748 3.960 0.030 0.000 0.681 23 G C -2.037 172.862 174.900 -0.001 0.000 1.340 23 G CA -0.716 44.395 45.100 0.018 0.000 0.855 23 G HN -0.599 7.670 8.290 -0.035 0.000 0.649 24 A N 2.703 125.531 122.820 0.013 0.000 2.548 24 A HA -0.210 4.358 4.320 0.026 -0.232 0.247 24 A C -0.172 177.416 177.584 0.007 0.000 1.067 24 A CA 0.997 53.046 52.037 0.019 0.000 0.757 24 A CB 0.043 19.061 19.000 0.029 0.000 0.996 24 A HN 0.285 8.447 8.150 0.020 0.000 0.504 25 N N -2.168 116.534 118.700 0.003 0.000 2.721 25 N HA -0.383 4.345 4.740 -0.020 0.000 0.249 25 N C 0.313 175.803 175.510 -0.034 0.000 1.072 25 N CA 1.485 54.527 53.050 -0.013 0.000 0.710 25 N CB -1.160 37.330 38.487 0.005 0.000 0.993 25 N HN 0.523 8.913 8.380 0.016 0.000 0.547 26 T N -4.108 110.417 114.554 -0.050 0.000 3.081 26 T HA -0.016 4.324 4.350 -0.016 0.000 0.250 26 T C -0.461 174.186 174.700 -0.089 0.000 1.100 26 T CA 1.116 63.193 62.100 -0.038 0.000 1.038 26 T CB 0.709 69.571 68.868 -0.011 0.000 0.962 26 T HN -0.467 7.720 8.240 -0.057 0.019 0.516 27 V N 2.097 121.896 119.914 -0.192 0.000 2.320 27 V HA 0.361 4.223 4.120 -0.430 0.000 0.257 27 V C -1.169 174.613 176.094 -0.520 0.000 0.996 27 V CA -3.566 58.464 62.300 -0.449 0.000 0.928 27 V CB 0.868 32.405 31.823 -0.477 0.000 1.169 27 V HN -0.457 7.570 8.190 -0.165 0.065 0.475 28 P HA 0.015 4.488 4.420 -0.089 -0.107 0.225 28 P C 0.109 177.359 177.300 -0.082 0.000 1.148 28 P CA 1.690 64.716 63.100 -0.123 0.000 0.779 28 P CB 0.084 31.783 31.700 -0.002 0.000 0.780 29 Y N -5.962 114.365 120.300 0.045 0.000 2.466 29 Y HA 0.532 5.280 4.550 0.059 -0.163 0.272 29 Y C -0.671 175.269 175.900 0.068 0.000 1.169 29 Y CA -3.586 54.547 58.100 0.055 0.000 1.285 29 Y CB -1.389 37.099 38.460 0.047 0.000 1.078 29 Y HN -0.410 7.314 8.280 -0.829 0.059 0.523 30 Q N 2.715 122.382 119.800 -0.222 0.000 2.304 30 Q HA 0.267 4.793 4.340 0.085 -0.136 0.260 30 Q C -0.344 175.737 176.000 0.135 0.000 0.965 30 Q CA -0.149 55.632 55.803 -0.037 0.000 0.898 30 Q CB 1.314 29.929 28.738 -0.206 0.000 1.196 30 Q HN -0.555 7.257 8.270 -0.477 0.172 0.402 31 V N 1.229 121.264 119.914 0.201 0.000 2.960 31 V HA 0.825 5.193 4.120 0.197 -0.130 0.315 31 V C -1.892 174.362 176.094 0.266 0.000 1.087 31 V CA -2.878 59.541 62.300 0.199 0.000 0.982 31 V CB 3.877 35.769 31.823 0.114 0.000 1.039 31 V HN 0.438 8.743 8.190 0.192 0.000 0.437 32 S N 1.309 117.083 115.700 0.122 0.000 2.502 32 S HA 0.479 5.195 4.470 0.216 -0.117 0.304 32 S C -1.155 173.354 174.600 -0.152 0.000 1.097 32 S CA -2.118 56.093 58.200 0.019 0.000 1.045 32 S CB 1.692 64.686 63.200 -0.343 0.000 1.019 32 S HN 0.010 8.359 8.310 0.064 0.000 0.481 33 L N 7.272 128.276 121.223 -0.365 0.000 2.275 33 L HA 0.572 4.869 4.340 -0.296 -0.136 0.288 33 L C -1.479 175.016 176.870 -0.626 0.000 1.046 33 L CA -0.843 53.670 54.840 -0.544 0.000 0.805 33 L CB 0.933 42.441 42.059 -0.920 0.000 1.193 33 L HN 0.871 8.838 8.230 -0.438 0.000 0.426 38 G N 0.168 108.722 108.800 -0.411 0.000 2.218 38 G HA2 -0.253 3.629 3.960 -0.129 0.000 0.216 38 G HA3 -0.253 3.657 3.960 -0.084 0.000 0.216 38 G C -1.754 173.115 174.900 -0.051 0.000 0.994 38 G CA 0.220 45.206 45.100 -0.189 0.000 0.637 38 G HN 0.298 8.700 8.290 -0.338 -0.315 0.505 39 Y N -6.918 113.357 120.300 -0.042 0.000 2.662 39 Y HA 0.216 4.729 4.550 -0.061 0.000 0.334 39 Y C -2.460 173.455 175.900 0.025 0.000 1.185 39 Y CA -3.415 54.666 58.100 -0.031 0.000 1.074 39 Y CB 0.762 39.203 38.460 -0.033 0.000 1.330 39 Y HN -1.254 6.543 8.280 -0.805 -0.000 0.458 40 H N 2.454 121.537 119.070 0.022 0.000 2.803 40 H HA 0.023 4.631 4.556 -0.210 -0.179 0.330 40 H C -0.361 175.058 175.328 0.152 0.000 1.057 40 H CA -0.155 55.845 56.048 -0.079 0.000 1.458 40 H CB 0.439 30.086 29.762 -0.192 0.000 1.470 40 H HN 0.306 8.707 8.280 0.202 0.000 0.560 41 F N 1.961 121.529 119.950 -0.637 0.000 2.876 41 F HA 0.309 4.754 4.527 -0.137 0.000 0.344 41 F C -1.606 173.956 175.800 -0.396 0.000 1.029 41 F CA -0.665 57.138 58.000 -0.327 0.000 1.154 41 F CB 1.640 40.589 39.000 -0.084 0.000 1.040 41 F HN 0.145 7.803 8.300 -1.070 0.000 0.576 42 c N -1.605 116.282 118.600 -1.189 0.000 3.321 42 c HA 0.323 4.763 4.570 -0.217 0.000 0.329 42 c C -1.723 172.161 174.090 -0.344 0.000 1.394 42 c CA -0.124 55.865 56.329 -0.566 0.000 1.291 42 c CB 4.079 46.298 42.510 -0.485 0.000 1.606 42 c HN -0.810 6.422 8.230 -1.663 0.000 0.463 43 G N -0.947 107.845 108.800 -0.013 0.000 2.601 43 G HA2 0.821 5.091 3.960 0.242 0.000 0.317 43 G HA3 0.821 4.920 3.960 0.233 0.000 0.317 43 G C -2.509 172.422 174.900 0.052 0.000 1.246 43 G CA -1.657 43.535 45.100 0.153 0.000 1.012 43 G HN 0.817 9.107 8.290 0.000 0.000 0.494 44 G N -3.918 104.948 108.800 0.110 0.000 2.495 44 G HA2 0.519 4.795 3.960 0.089 0.000 0.294 44 G HA3 0.519 4.519 3.960 0.067 0.000 0.294 44 G C -2.934 172.057 174.900 0.152 0.000 1.397 44 G CA 0.321 45.479 45.100 0.098 0.000 0.790 44 G HN -0.555 7.835 8.290 0.167 0.000 0.486 45 S N -0.429 115.366 115.700 0.158 0.000 2.532 45 S HA 0.852 5.690 4.470 0.276 -0.203 0.299 45 S C -1.365 173.341 174.600 0.177 0.000 1.105 45 S CA -0.879 57.446 58.200 0.207 0.000 1.018 45 S CB 3.679 66.987 63.200 0.180 0.000 1.021 45 S HN 0.411 8.801 8.310 0.134 0.000 0.483 46 L N 6.358 127.700 121.223 0.199 0.000 2.313 46 L HA 0.243 4.793 4.340 0.150 -0.120 0.282 46 L C -0.586 176.371 176.870 0.145 0.000 1.092 46 L CA -0.396 54.541 54.840 0.163 0.000 0.831 46 L CB 1.169 43.321 42.059 0.155 0.000 1.159 46 L HN 0.401 8.785 8.230 0.258 0.000 0.442 47 I N 0.054 120.707 120.570 0.138 0.000 3.854 47 I HA 0.401 4.765 4.170 0.072 -0.151 0.312 47 I C -0.827 175.350 176.117 0.099 0.000 1.273 47 I CA -0.256 61.103 61.300 0.099 0.000 1.298 47 I CB 0.652 38.701 38.000 0.081 0.000 1.071 47 I HN 0.445 8.755 8.210 0.165 0.000 0.428 48 N N -3.117 115.663 118.700 0.133 0.000 3.348 48 N HA 0.103 4.898 4.740 0.092 0.000 0.233 48 N C -0.510 175.075 175.510 0.125 0.000 1.440 48 N CA -0.292 52.830 53.050 0.121 0.000 0.887 48 N CB 1.189 39.752 38.487 0.127 0.000 1.410 48 N HN -0.978 7.496 8.380 0.157 0.000 0.502 49 S N -1.600 114.157 115.700 0.095 0.000 2.440 49 S HA -0.390 4.114 4.470 0.057 0.000 0.240 49 S C 0.967 175.590 174.600 0.038 0.000 1.014 49 S CA 2.733 60.970 58.200 0.063 0.000 0.980 49 S CB 0.050 63.278 63.200 0.046 0.000 0.775 49 S HN 0.489 8.850 8.310 0.087 0.000 0.499 50 Q N -2.492 117.341 119.800 0.055 0.000 2.246 50 Q HA 0.235 4.494 4.340 -0.134 0.000 0.222 50 Q C -1.033 174.799 176.000 -0.280 0.000 0.851 50 Q CA 0.180 55.916 55.803 -0.111 0.000 0.945 50 Q CB 1.289 29.943 28.738 -0.140 0.000 1.122 50 Q HN 0.018 8.325 8.270 0.137 0.046 0.508 51 W N -2.124 119.180 121.300 0.006 0.000 2.936 51 W HA 0.645 5.496 4.660 0.002 -0.189 0.338 51 W C -1.499 175.031 176.519 0.018 0.000 1.121 51 W CA -0.889 56.458 57.345 0.003 0.000 1.209 51 W CB 3.778 33.227 29.460 -0.018 0.000 1.420 51 W HN -0.518 7.810 8.180 0.247 0.000 0.516 52 V N 1.555 121.638 119.914 0.281 0.000 2.735 52 V HA 0.827 5.236 4.120 0.176 -0.183 0.310 52 V C -1.466 174.748 176.094 0.199 0.000 1.061 52 V CA -1.838 60.575 62.300 0.188 0.000 0.913 52 V CB 3.833 35.723 31.823 0.111 0.000 1.005 52 V HN 0.873 9.249 8.190 0.311 0.000 0.428 53 V N 1.881 121.888 119.914 0.155 0.000 2.555 53 V HA 1.014 5.404 4.120 0.159 -0.174 0.302 53 V C -1.608 174.553 176.094 0.112 0.000 1.038 53 V CA -2.762 59.622 62.300 0.140 0.000 0.887 53 V CB 2.025 33.922 31.823 0.123 0.000 0.991 53 V HN 0.615 8.891 8.190 0.145 0.000 0.434 54 S N 4.232 119.989 115.700 0.095 0.000 2.903 54 S HA 0.615 5.313 4.470 0.059 -0.193 0.314 54 S C -1.898 172.718 174.600 0.027 0.000 1.177 54 S CA -2.119 56.112 58.200 0.052 0.000 0.859 54 S CB 2.501 65.714 63.200 0.022 0.000 1.265 54 S HN 0.637 9.014 8.310 0.112 0.000 0.584 55 A N -0.102 122.701 122.820 -0.028 0.000 2.306 55 A HA 0.409 4.859 4.320 -0.027 -0.145 0.314 55 A C 0.293 177.796 177.584 -0.136 0.000 1.164 55 A CA -1.216 50.783 52.037 -0.064 0.000 0.822 55 A CB 1.663 20.613 19.000 -0.084 0.000 1.130 55 A HN 0.167 8.285 8.150 -0.052 0.000 0.496 56 A N 4.705 127.393 122.820 -0.220 0.000 2.015 56 A HA -0.213 3.975 4.320 -0.220 0.000 0.219 56 A C 1.213 178.597 177.584 -0.333 0.000 1.163 56 A CA 2.651 54.432 52.037 -0.427 0.000 0.646 56 A CB -0.246 18.122 19.000 -1.052 0.000 0.806 56 A HN 0.601 8.659 8.150 -0.196 -0.026 0.448 57 H N -4.640 114.318 119.070 -0.186 0.000 2.563 57 H HA -0.039 4.575 4.556 0.095 0.000 0.272 57 H C -0.016 175.375 175.328 0.106 0.000 1.005 57 H CA 1.192 57.270 56.048 0.051 0.000 1.171 57 H CB -1.523 28.329 29.762 0.150 0.000 1.351 57 H HN 0.094 8.638 8.280 -0.024 -0.278 0.602 58 c N -1.630 116.861 118.600 -0.181 0.000 2.791 58 c HA 0.054 4.668 4.570 0.072 0.000 0.270 58 c C 0.258 174.430 174.090 0.138 0.000 1.257 58 c CA -0.125 56.206 56.329 0.003 0.000 1.699 58 c CB -1.455 41.029 42.510 -0.044 0.000 1.904 58 c HN -0.305 7.592 8.230 -0.219 0.202 0.603 59 Y N 2.834 123.132 120.300 -0.004 0.000 2.717 59 Y HA -0.250 4.319 4.550 0.032 0.000 0.330 59 Y C -0.795 175.090 175.900 -0.024 0.000 1.217 59 Y CA 1.996 60.098 58.100 0.004 0.000 1.506 59 Y CB 0.527 38.973 38.460 -0.024 0.000 1.268 59 Y HN -0.445 7.729 8.280 0.135 0.187 0.561 60 K N 6.772 126.546 120.400 -1.043 0.000 2.579 60 K HA 0.191 3.987 4.320 -0.873 0.000 0.284 60 K C -2.176 173.912 176.600 -0.853 0.000 0.990 60 K CA -1.557 54.188 56.287 -0.903 0.000 0.880 60 K CB 3.685 35.786 32.500 -0.665 0.000 1.488 60 K HN 0.005 7.708 8.250 -0.911 0.000 0.425 61 S N -0.024 115.355 115.700 -0.534 0.000 2.525 61 S HA 0.150 4.488 4.470 -0.219 0.000 0.290 61 S C 1.174 175.650 174.600 -0.206 0.000 1.152 61 S CA -0.674 57.364 58.200 -0.269 0.000 1.072 61 S CB 0.585 63.705 63.200 -0.133 0.000 1.027 61 S HN 0.126 8.157 8.310 -0.465 0.000 0.500 62 G N 2.004 110.724 108.800 -0.133 0.000 2.303 62 G HA2 -0.345 3.562 3.960 -0.087 0.000 0.260 62 G HA3 -0.345 3.536 3.960 -0.132 0.000 0.260 62 G C -1.729 173.101 174.900 -0.117 0.000 1.106 62 G CA -0.181 44.848 45.100 -0.118 0.000 0.900 62 G HN 0.344 8.575 8.290 -0.098 0.000 0.495 63 I N -0.869 119.655 120.570 -0.077 0.000 2.392 63 I HA 0.140 4.435 4.170 0.001 -0.125 0.295 63 I C -2.036 174.055 176.117 -0.043 0.000 0.985 63 I CA -1.124 60.163 61.300 -0.021 0.000 1.221 63 I CB 1.586 39.608 38.000 0.037 0.000 1.366 63 I HN -0.470 7.697 8.210 -0.071 0.000 0.467 64 Q N 6.094 125.858 119.800 -0.060 0.000 2.340 64 Q HA 0.449 4.849 4.340 -0.056 -0.093 0.268 64 Q C -1.825 174.121 176.000 -0.090 0.000 1.031 64 Q CA -1.404 54.352 55.803 -0.079 0.000 0.804 64 Q CB 3.976 32.640 28.738 -0.123 0.000 1.286 64 Q HN 0.331 8.569 8.270 -0.054 0.000 0.448 65 V N 6.830 126.712 119.914 -0.053 0.000 2.427 65 V HA 0.290 4.490 4.120 -0.073 -0.123 0.286 65 V C -1.292 174.808 176.094 0.011 0.000 1.034 65 V CA -0.244 62.034 62.300 -0.037 0.000 0.893 65 V CB 1.220 33.037 31.823 -0.011 0.000 0.982 65 V HN 1.010 9.077 8.190 -0.031 0.104 0.452 66 R N 6.188 126.690 120.500 0.002 0.000 2.409 66 R HA 0.725 5.446 4.340 0.313 -0.193 0.313 66 R C -0.963 175.416 176.300 0.132 0.000 0.953 66 R CA -1.318 54.857 56.100 0.124 0.000 0.849 66 R CB 1.625 31.894 30.300 -0.052 0.000 1.171 66 R HN 0.651 8.896 8.270 -0.043 0.000 0.458 70 E N -1.220 119.081 120.200 0.168 0.000 2.283 70 E HA 0.088 4.527 4.350 0.149 0.000 0.271 70 E C -1.877 174.915 176.600 0.320 0.000 1.031 70 E CA 0.241 56.767 56.400 0.209 0.000 0.868 70 E CB 1.662 31.442 29.700 0.133 0.000 1.094 70 E HN -0.656 7.780 8.360 0.190 0.038 0.401 71 D N 1.024 121.592 120.400 0.280 0.000 3.001 71 D HA 0.051 4.892 4.640 0.334 0.000 0.183 71 D C -1.099 175.413 176.300 0.353 0.000 1.502 71 D CA 1.110 55.281 54.000 0.286 0.000 1.490 71 D CB 2.491 43.373 40.800 0.136 0.000 1.274 71 D HN 0.097 8.584 8.370 0.195 0.000 0.269 72 N N 0.953 119.766 118.700 0.189 0.000 2.408 72 N HA 0.293 5.290 4.740 0.191 -0.142 0.257 72 N C 2.048 177.577 175.510 0.031 0.000 1.064 72 N CA -0.701 52.430 53.050 0.134 0.000 0.952 72 N CB 0.774 39.311 38.487 0.083 0.000 1.093 72 N HN -0.372 8.388 8.380 0.140 -0.296 0.490 73 I N 0.544 121.047 120.570 -0.111 0.000 3.564 73 I HA -0.039 4.141 4.170 -0.238 -0.152 0.294 73 I C -0.602 175.429 176.117 -0.142 0.000 1.289 73 I CA 1.092 62.225 61.300 -0.278 0.000 1.325 73 I CB -0.819 36.770 38.000 -0.685 0.000 1.039 73 I HN 0.687 8.849 8.210 -0.080 0.000 0.474 74 N N -1.802 116.862 118.700 -0.060 0.000 2.205 74 N HA 0.165 4.882 4.740 -0.039 0.000 0.201 74 N C -1.069 174.446 175.510 0.008 0.000 1.128 74 N CA -0.186 52.850 53.050 -0.024 0.000 0.867 74 N CB 2.068 40.550 38.487 -0.007 0.000 0.996 74 N HN 0.008 8.663 8.380 -0.034 -0.295 0.503 75 V N 0.265 120.193 119.914 0.023 0.000 2.638 75 V HA 0.053 4.195 4.120 0.036 0.000 0.306 75 V C -1.364 174.764 176.094 0.057 0.000 1.052 75 V CA -1.018 61.305 62.300 0.038 0.000 0.885 75 V CB 3.323 35.168 31.823 0.035 0.000 0.999 75 V HN -0.850 7.363 8.190 0.017 -0.013 0.424 76 V N 7.657 127.607 119.914 0.061 0.000 2.387 76 V HA -0.191 4.193 4.120 0.085 -0.212 0.260 76 V C 0.285 176.392 176.094 0.021 0.000 1.054 76 V CA 0.702 63.035 62.300 0.056 0.000 0.967 76 V CB -0.437 31.413 31.823 0.044 0.000 1.036 76 V HN 0.311 8.532 8.190 0.052 0.000 0.481 77 E N 8.906 129.118 120.200 0.019 0.000 2.474 77 E HA 0.030 4.387 4.350 0.012 0.000 0.194 77 E C 0.517 177.113 176.600 -0.008 0.000 1.041 77 E CA 0.039 56.446 56.400 0.012 0.000 0.874 77 E CB 0.325 30.041 29.700 0.027 0.000 0.914 77 E HN 0.417 9.209 8.360 0.028 -0.416 0.498 78 G N -1.237 107.543 108.800 -0.032 0.000 2.278 78 G HA2 -0.345 3.577 3.960 -0.064 0.000 0.210 78 G HA3 -0.345 3.596 3.960 -0.032 0.000 0.210 78 G C -0.016 174.848 174.900 -0.062 0.000 1.000 78 G CA 0.324 45.395 45.100 -0.049 0.000 0.635 78 G HN 0.166 8.614 8.290 -0.042 -0.183 0.495 79 N N 0.598 119.270 118.700 -0.046 0.000 2.251 79 N HA 0.070 4.780 4.740 -0.050 0.000 0.217 79 N C -1.644 173.827 175.510 -0.066 0.000 1.124 79 N CA -0.591 52.433 53.050 -0.044 0.000 0.843 79 N CB 0.592 39.073 38.487 -0.010 0.000 1.024 79 N HN 0.345 8.710 8.380 -0.026 0.000 0.501 80 E N -0.332 119.785 120.200 -0.137 0.000 2.283 80 E HA 0.352 4.894 4.350 -0.066 -0.232 0.267 80 E C -0.295 176.104 176.600 -0.335 0.000 1.045 80 E CA -0.551 55.722 56.400 -0.211 0.000 0.884 80 E CB 1.042 30.517 29.700 -0.376 0.000 1.106 80 E HN -0.478 7.712 8.360 -0.155 0.077 0.408 81 Q N 0.529 120.197 119.800 -0.220 0.000 2.285 81 Q HA 0.310 4.494 4.340 -0.262 0.000 0.269 81 Q C -1.441 174.600 176.000 0.068 0.000 1.030 81 Q CA -1.144 54.567 55.803 -0.154 0.000 0.788 81 Q CB 3.305 32.019 28.738 -0.041 0.000 1.266 81 Q HN 0.274 8.510 8.270 -0.056 0.000 0.438 82 F N 3.593 123.525 119.950 -0.031 0.000 2.402 82 F HA 0.842 5.525 4.527 -0.046 -0.184 0.355 82 F C 0.095 175.871 175.800 -0.040 0.000 1.123 82 F CA -1.664 56.312 58.000 -0.041 0.000 1.021 82 F CB 1.883 40.857 39.000 -0.043 0.000 1.160 82 F HN 0.293 8.553 8.300 -0.067 0.000 0.451 83 I N 4.615 125.263 120.570 0.131 0.000 2.533 83 I HA 0.325 4.521 4.170 0.043 0.000 0.290 83 I C -1.029 175.092 176.117 0.007 0.000 1.056 83 I CA -1.230 60.097 61.300 0.045 0.000 1.057 83 I CB 4.020 42.030 38.000 0.017 0.000 1.240 83 I HN 0.970 9.256 8.210 0.127 0.000 0.423 84 S N 6.389 122.082 115.700 -0.012 0.000 2.617 84 S HA 0.161 4.715 4.470 -0.036 -0.105 0.269 84 S C -0.749 173.820 174.600 -0.052 0.000 1.292 84 S CA 0.467 58.647 58.200 -0.033 0.000 1.010 84 S CB 1.046 64.226 63.200 -0.034 0.000 0.944 84 S HN 0.465 8.771 8.310 -0.007 0.000 0.536 85 A N 1.591 124.378 122.820 -0.055 0.000 2.327 85 A HA 0.450 4.861 4.320 -0.100 -0.151 0.283 85 A C -0.397 177.142 177.584 -0.075 0.000 1.127 85 A CA -0.882 51.111 52.037 -0.073 0.000 0.810 85 A CB 0.931 19.904 19.000 -0.047 0.000 1.066 85 A HN -0.255 7.867 8.150 -0.047 0.000 0.492 86 S N 2.408 118.042 115.700 -0.109 0.000 2.475 86 S HA 0.057 4.489 4.470 -0.064 0.000 0.224 86 S C 0.465 175.026 174.600 -0.064 0.000 1.042 86 S CA 1.255 59.401 58.200 -0.090 0.000 0.935 86 S CB 1.317 64.444 63.200 -0.121 0.000 0.801 86 S HN 0.685 8.786 8.310 -0.159 0.114 0.509 87 K N 0.823 121.176 120.400 -0.079 0.000 2.568 87 K HA 0.248 4.581 4.320 0.022 0.000 0.273 87 K C -2.437 174.181 176.600 0.030 0.000 0.951 87 K CA 0.258 56.540 56.287 -0.009 0.000 0.854 87 K CB 2.890 35.391 32.500 0.001 0.000 1.424 87 K HN -0.825 7.345 8.250 -0.133 0.000 0.427 88 S N 2.695 118.461 115.700 0.110 0.000 2.526 88 S HA 0.927 5.679 4.470 0.171 -0.180 0.293 88 S C -0.862 173.850 174.600 0.186 0.000 1.092 88 S CA -0.732 57.572 58.200 0.175 0.000 0.980 88 S CB 2.519 65.867 63.200 0.247 0.000 1.048 88 S HN 0.125 8.504 8.310 0.115 0.000 0.483 89 I N 6.664 127.364 120.570 0.217 0.000 2.468 89 I HA 0.194 4.456 4.170 0.154 0.000 0.284 89 I C -1.583 174.680 176.117 0.244 0.000 1.038 89 I CA -0.434 60.995 61.300 0.214 0.000 1.083 89 I CB 2.593 40.738 38.000 0.242 0.000 1.223 89 I HN 1.027 9.384 8.210 0.245 0.000 0.443 90 V N 7.226 127.215 119.914 0.125 0.000 2.686 90 V HA -0.099 4.075 4.120 0.090 0.000 0.295 90 V C -0.351 175.807 176.094 0.106 0.000 1.057 90 V CA -0.897 61.440 62.300 0.063 0.000 1.012 90 V CB 1.044 32.806 31.823 -0.102 0.000 1.006 90 V HN 0.269 8.492 8.190 0.054 0.000 0.477 91 H N 7.908 126.924 119.070 -0.089 0.000 3.064 91 H HA -0.084 4.082 4.556 -0.651 0.000 0.329 91 H C 0.011 175.243 175.328 -0.160 0.000 1.020 91 H CA 0.868 56.679 56.048 -0.394 0.000 1.402 91 H CB 1.599 31.018 29.762 -0.572 0.000 1.379 91 H HN -0.191 8.110 8.280 0.036 0.000 0.594 92 P HA -0.109 4.261 4.420 -0.084 0.000 0.219 92 P C -0.358 176.920 177.300 -0.037 0.000 1.146 92 P CA 1.722 64.694 63.100 -0.213 0.000 0.808 92 P CB 0.319 31.875 31.700 -0.240 0.000 0.779 93 S N -2.757 113.029 115.700 0.143 0.000 2.602 93 S HA 0.064 4.583 4.470 0.081 0.000 0.240 93 S C -1.085 173.630 174.600 0.191 0.000 0.992 93 S CA -0.178 58.133 58.200 0.187 0.000 0.971 93 S CB 0.905 64.220 63.200 0.192 0.000 0.855 93 S HN -0.413 8.016 8.310 0.256 0.034 0.481 94 Y N 3.841 124.195 120.300 0.090 0.000 2.620 94 Y HA -0.305 4.509 4.550 -0.029 -0.282 0.330 94 Y C -0.760 175.132 175.900 -0.013 0.000 1.186 94 Y CA 1.014 59.118 58.100 0.007 0.000 1.467 94 Y CB 0.735 39.198 38.460 0.005 0.000 1.262 94 Y HN -0.777 7.541 8.280 0.332 0.161 0.550 95 N N 7.663 125.965 118.700 -0.663 0.000 2.518 95 N HA 0.234 4.706 4.740 -0.447 0.000 0.254 95 N C -0.100 174.845 175.510 -0.941 0.000 0.979 95 N CA -1.312 51.381 53.050 -0.595 0.000 0.930 95 N CB 1.438 39.739 38.487 -0.310 0.000 1.152 95 N HN -0.093 7.974 8.380 -0.522 0.000 0.505 96 S N 6.323 121.506 115.700 -0.862 0.000 2.474 96 S HA -0.150 3.901 4.470 -0.698 0.000 0.235 96 S C 0.907 175.321 174.600 -0.309 0.000 0.997 96 S CA 2.579 60.448 58.200 -0.551 0.000 0.949 96 S CB -0.191 62.908 63.200 -0.169 0.000 0.766 96 S HN 0.672 8.608 8.310 -0.624 0.000 0.517 97 N N 0.769 119.292 118.700 -0.296 0.000 2.290 97 N HA -0.083 4.540 4.740 -0.196 0.000 0.179 97 N C 0.958 176.298 175.510 -0.282 0.000 1.016 97 N CA 2.047 54.959 53.050 -0.230 0.000 0.871 97 N CB 0.724 39.105 38.487 -0.176 0.000 0.987 97 N HN -0.056 8.336 8.380 -0.324 -0.207 0.431 98 T N -4.038 110.331 114.554 -0.308 0.000 3.001 98 T HA 0.090 4.210 4.350 -0.383 0.000 0.251 98 T C 0.133 174.587 174.700 -0.409 0.000 1.040 98 T CA -0.241 61.657 62.100 -0.337 0.000 0.985 98 T CB 1.533 70.265 68.868 -0.226 0.000 1.011 98 T HN -0.610 7.649 8.240 -0.311 -0.206 0.509 99 L N -3.753 117.259 121.223 -0.351 0.000 4.351 99 L HA -0.485 3.858 4.340 -0.106 -0.066 0.410 99 L C -1.820 175.033 176.870 -0.028 0.000 1.150 99 L CA 0.635 55.363 54.840 -0.187 0.000 0.961 99 L CB -2.782 39.094 42.059 -0.303 0.000 2.130 99 L HN -0.058 7.944 8.230 -0.381 0.000 0.787 100 N N -0.738 117.905 118.700 -0.094 0.000 2.513 100 N HA -0.151 4.626 4.740 0.061 0.000 0.268 100 N C -0.051 175.487 175.510 0.048 0.000 1.180 100 N CA 0.657 53.707 53.050 0.001 0.000 0.948 100 N CB 1.136 39.601 38.487 -0.037 0.000 1.083 100 N HN -0.777 7.439 8.380 -0.195 0.046 0.455 101 N N -0.704 118.034 118.700 0.063 0.000 2.780 101 N HA -0.470 4.198 4.740 -0.122 0.000 0.247 101 N C -1.419 174.088 175.510 -0.005 0.000 1.076 101 N CA 1.342 54.337 53.050 -0.093 0.000 0.688 101 N CB -1.528 36.805 38.487 -0.256 0.000 0.957 101 N HN 0.652 9.093 8.380 0.101 0.000 0.551 102 D N -0.771 119.673 120.400 0.074 0.000 2.551 102 D HA 0.080 4.775 4.640 0.091 0.000 0.223 102 D C -2.044 174.200 176.300 -0.092 0.000 1.144 102 D CA -0.362 53.695 54.000 0.095 0.000 1.025 102 D CB -0.688 40.260 40.800 0.247 0.000 1.085 102 D HN -0.076 8.340 8.370 0.077 0.000 0.506 103 I N 1.858 122.303 120.570 -0.208 0.000 2.827 103 I HA 0.676 4.970 4.170 -0.075 -0.170 0.298 103 I C -3.123 172.979 176.117 -0.026 0.000 1.235 103 I CA -1.556 59.654 61.300 -0.150 0.000 1.021 103 I CB 4.035 41.828 38.000 -0.345 0.000 1.259 103 I HN -0.241 7.790 8.210 -0.229 0.041 0.427 104 M N 6.181 125.839 119.600 0.096 0.000 2.520 104 M HA 0.738 5.543 4.480 0.297 -0.147 0.283 104 M C -2.871 173.573 176.300 0.239 0.000 1.237 104 M CA -1.048 54.369 55.300 0.195 0.000 0.885 104 M CB 4.952 37.603 32.600 0.085 0.000 1.727 104 M HN 0.547 8.887 8.290 0.083 0.000 0.468 105 L N 2.408 123.799 121.223 0.280 0.000 2.346 105 L HA 0.893 5.563 4.340 0.250 -0.181 0.274 105 L C -1.398 175.666 176.870 0.323 0.000 1.007 105 L CA -1.464 53.542 54.840 0.278 0.000 0.818 105 L CB 3.514 45.674 42.059 0.168 0.000 1.284 105 L HN 0.572 8.994 8.230 0.319 0.000 0.424 106 I N 0.974 121.727 120.570 0.306 0.000 2.466 106 I HA 0.558 4.961 4.170 0.109 -0.168 0.289 106 I C -1.750 174.316 176.117 -0.086 0.000 1.026 106 I CA -1.303 60.071 61.300 0.124 0.000 1.078 106 I CB 3.321 41.367 38.000 0.076 0.000 1.249 106 I HN 0.890 9.305 8.210 0.342 0.000 0.429 107 K N 6.467 126.619 120.400 -0.413 0.000 2.159 107 K HA 0.699 4.430 4.320 -1.257 -0.166 0.266 107 K C -1.111 175.218 176.600 -0.451 0.000 0.975 107 K CA -2.057 53.666 56.287 -0.939 0.000 0.865 107 K CB 3.314 35.071 32.500 -1.239 0.000 1.087 107 K HN 0.720 8.819 8.250 -0.252 0.000 0.446 108 L N 4.725 125.702 121.223 -0.410 0.000 2.375 108 L HA 0.245 4.613 4.340 -0.162 -0.124 0.271 108 L C 1.727 178.478 176.870 -0.198 0.000 1.107 108 L CA -0.139 54.571 54.840 -0.218 0.000 0.806 108 L CB 0.442 42.411 42.059 -0.149 0.000 1.146 108 L HN 0.622 8.526 8.230 -0.543 0.000 0.447 109 K N 2.781 123.105 120.400 -0.127 0.000 2.148 109 K HA -0.257 3.997 4.320 -0.110 0.000 0.204 109 K C 0.130 176.682 176.600 -0.081 0.000 1.050 109 K CA 2.532 58.761 56.287 -0.097 0.000 0.942 109 K CB 0.341 32.804 32.500 -0.062 0.000 0.724 109 K HN 0.537 8.725 8.250 -0.103 0.000 0.446 110 S N -3.684 111.973 115.700 -0.071 0.000 2.599 110 S HA 0.144 4.583 4.470 -0.051 0.000 0.287 110 S C -1.884 172.684 174.600 -0.054 0.000 1.105 110 S CA -1.094 57.074 58.200 -0.052 0.000 0.899 110 S CB 2.194 65.374 63.200 -0.033 0.000 1.100 110 S HN -0.405 7.844 8.310 -0.072 0.018 0.482 111 A N 1.236 124.033 122.820 -0.040 0.000 2.388 111 A HA 0.047 4.496 4.320 -0.041 -0.153 0.257 111 A C -0.703 176.872 177.584 -0.014 0.000 1.095 111 A CA -0.015 52.006 52.037 -0.027 0.000 0.791 111 A CB 0.741 19.735 19.000 -0.010 0.000 1.029 111 A HN 0.173 8.304 8.150 -0.032 0.000 0.489 112 A N 2.144 124.962 122.820 -0.003 0.000 2.313 112 A HA 0.194 4.588 4.320 -0.001 -0.075 0.261 112 A C -0.464 177.125 177.584 0.008 0.000 1.090 112 A CA -1.014 51.026 52.037 0.005 0.000 0.807 112 A CB 1.174 20.186 19.000 0.020 0.000 1.055 112 A HN 0.389 8.428 8.150 -0.001 0.110 0.492 113 S N 0.224 115.927 115.700 0.005 0.000 2.422 113 S HA 0.148 4.622 4.470 0.008 0.000 0.298 113 S C -1.022 173.586 174.600 0.013 0.000 1.118 113 S CA -0.673 57.530 58.200 0.005 0.000 1.083 113 S CB 0.283 63.480 63.200 -0.005 0.000 0.971 113 S HN 0.053 8.724 8.310 0.000 -0.361 0.478 114 L N 6.542 127.778 121.223 0.021 0.000 2.350 114 L HA 0.111 4.584 4.340 0.033 -0.112 0.275 114 L C -0.451 176.433 176.870 0.023 0.000 1.099 114 L CA -0.236 54.621 54.840 0.029 0.000 0.808 114 L CB 0.548 42.630 42.059 0.038 0.000 1.149 114 L HN 0.316 8.558 8.230 0.020 0.000 0.442 115 N N 3.662 122.376 118.700 0.024 0.000 3.522 115 N HA 0.216 4.967 4.740 0.018 0.000 0.328 115 N C -0.617 174.908 175.510 0.024 0.000 1.623 115 N CA -0.648 52.413 53.050 0.019 0.000 0.812 115 N CB 0.918 39.410 38.487 0.010 0.000 2.008 115 N HN 0.453 8.740 8.380 0.030 0.111 0.601 116 S N -1.316 114.395 115.700 0.019 0.000 2.382 116 S HA -0.247 4.239 4.470 0.027 0.000 0.228 116 S C 0.472 175.084 174.600 0.021 0.000 1.027 116 S CA 2.901 61.114 58.200 0.021 0.000 0.991 116 S CB -0.083 63.126 63.200 0.016 0.000 0.823 116 S HN 0.287 8.605 8.310 0.014 0.000 0.469 117 R N -1.508 119.002 120.500 0.017 0.000 2.246 117 R HA -0.071 4.274 4.340 0.009 0.000 0.199 117 R C -1.310 175.002 176.300 0.020 0.000 0.984 117 R CA 0.982 57.090 56.100 0.014 0.000 1.015 117 R CB 0.989 31.294 30.300 0.010 0.000 0.930 117 R HN -0.110 8.420 8.270 0.014 -0.251 0.475 118 V N -1.299 118.632 119.914 0.029 0.000 2.419 118 V HA 0.327 4.674 4.120 0.046 -0.199 0.287 118 V C -2.015 174.114 176.094 0.059 0.000 1.017 118 V CA -1.177 61.149 62.300 0.043 0.000 0.844 118 V CB 2.018 33.863 31.823 0.036 0.000 1.011 118 V HN -0.542 7.707 8.190 0.026 -0.043 0.429 119 A N 7.168 130.040 122.820 0.087 0.000 2.527 119 A HA 0.638 5.007 4.320 0.083 0.000 0.293 119 A C -2.687 174.987 177.584 0.151 0.000 1.117 119 A CA -1.837 50.263 52.037 0.106 0.000 0.723 119 A CB 2.950 22.017 19.000 0.111 0.000 1.313 119 A HN 0.125 8.208 8.150 0.092 0.122 0.411 120 S N -1.806 113.970 115.700 0.127 0.000 2.713 120 S HA 0.696 5.395 4.470 0.166 -0.130 0.283 120 S C -0.871 173.787 174.600 0.097 0.000 1.161 120 S CA -1.019 57.257 58.200 0.128 0.000 0.999 120 S CB 2.050 65.303 63.200 0.089 0.000 1.039 120 S HN -0.029 8.340 8.310 0.098 0.000 0.548 121 I N 0.513 121.100 120.570 0.028 0.000 2.648 121 I HA 0.266 4.355 4.170 -0.136 0.000 0.304 121 I C -1.724 174.345 176.117 -0.079 0.000 1.009 121 I CA -1.713 59.502 61.300 -0.142 0.000 1.114 121 I CB 3.946 41.671 38.000 -0.459 0.000 1.293 121 I HN 0.487 8.732 8.210 0.057 0.000 0.449 122 S N 5.952 121.600 115.700 -0.088 0.000 2.586 122 S HA 0.268 4.723 4.470 -0.026 0.000 0.274 122 S C -0.867 173.706 174.600 -0.045 0.000 1.281 122 S CA -0.595 57.577 58.200 -0.047 0.000 1.035 122 S CB 0.845 64.022 63.200 -0.038 0.000 0.962 122 S HN 0.267 8.505 8.310 -0.119 0.000 0.512 123 L N 2.437 123.648 121.223 -0.020 0.000 2.399 123 L HA 0.191 4.531 4.340 0.001 0.000 0.266 123 L C -1.097 175.770 176.870 -0.005 0.000 1.114 123 L CA -2.145 52.694 54.840 -0.002 0.000 0.804 123 L CB 0.199 42.264 42.059 0.010 0.000 1.146 123 L HN 0.274 8.494 8.230 -0.016 0.000 0.451 124 P HA 0.134 4.544 4.420 -0.016 0.000 0.277 124 P C -1.049 176.251 177.300 -0.001 0.000 1.240 124 P CA -0.518 62.579 63.100 -0.004 0.000 0.798 124 P CB 0.496 32.194 31.700 -0.003 0.000 0.979 128 c N 0.734 119.309 118.600 -0.043 0.000 2.443 128 c HA 0.132 4.663 4.570 -0.065 0.000 0.369 128 c C 0.080 174.110 174.090 -0.100 0.000 1.241 128 c CA -0.397 55.891 56.329 -0.068 0.000 2.413 128 c CB 0.598 43.071 42.510 -0.061 0.000 2.451 128 c HN -0.045 8.162 8.230 -0.038 0.000 0.595 129 A N 1.731 124.454 122.820 -0.160 0.000 2.293 129 A HA 0.076 4.324 4.320 -0.120 0.000 0.302 129 A C -0.955 176.524 177.584 -0.176 0.000 1.119 129 A CA -0.292 51.644 52.037 -0.169 0.000 0.823 129 A CB 0.848 19.718 19.000 -0.217 0.000 1.097 129 A HN 0.129 8.157 8.150 -0.204 0.000 0.491 133 G N 0.697 109.457 108.800 -0.068 0.000 2.279 133 G HA2 -0.282 3.648 3.960 -0.051 0.000 0.223 133 G HA3 -0.282 3.651 3.960 -0.046 0.000 0.223 133 G C -0.248 174.616 174.900 -0.060 0.000 1.015 133 G CA -0.088 44.979 45.100 -0.055 0.000 0.621 133 G HN 0.652 8.783 8.290 -0.074 0.115 0.506 134 T N 4.731 119.238 114.554 -0.078 0.000 2.916 134 T HA -0.140 4.176 4.350 -0.057 0.000 0.303 134 T C -0.652 174.005 174.700 -0.071 0.000 1.025 134 T CA 1.838 63.893 62.100 -0.076 0.000 1.142 134 T CB 0.453 69.260 68.868 -0.102 0.000 0.947 134 T HN -0.350 7.747 8.240 -0.093 0.088 0.544 135 Q N 4.112 123.885 119.800 -0.046 0.000 2.261 135 Q HA 0.108 4.544 4.340 -0.037 -0.119 0.252 135 Q C -0.626 175.358 176.000 -0.026 0.000 0.915 135 Q CA 0.078 55.865 55.803 -0.027 0.000 0.915 135 Q CB 1.260 30.000 28.738 0.003 0.000 1.204 135 Q HN 0.139 8.387 8.270 -0.037 0.000 0.421 136 c N 0.642 119.230 118.600 -0.021 0.000 3.044 136 c HA 0.655 5.335 4.570 -0.012 -0.117 0.315 136 c C -1.684 172.416 174.090 0.017 0.000 1.320 136 c CA -1.341 54.978 56.329 -0.017 0.000 1.582 136 c CB 4.350 46.831 42.510 -0.049 0.000 2.039 136 c HN 0.811 8.914 8.230 -0.020 0.114 0.466 137 L N 0.797 122.038 121.223 0.029 0.000 2.333 137 L HA 0.825 5.371 4.340 0.061 -0.170 0.280 137 L C -2.318 174.573 176.870 0.034 0.000 1.004 137 L CA -1.366 53.506 54.840 0.053 0.000 0.820 137 L CB 3.273 45.386 42.059 0.090 0.000 1.247 137 L HN 0.769 8.901 8.230 0.022 0.111 0.416 138 I N 7.283 127.858 120.570 0.008 0.000 2.474 138 I HA 0.868 5.280 4.170 0.027 -0.225 0.294 138 I C -1.422 174.668 176.117 -0.044 0.000 1.005 138 I CA -1.580 59.722 61.300 0.003 0.000 1.113 138 I CB 2.779 40.781 38.000 0.004 0.000 1.289 138 I HN 0.892 9.106 8.210 0.007 0.000 0.436 139 S N 2.350 118.019 115.700 -0.052 0.000 2.588 139 S HA 1.011 5.516 4.470 -0.214 -0.163 0.275 139 S C -1.173 173.321 174.600 -0.176 0.000 1.130 139 S CA -1.771 56.326 58.200 -0.171 0.000 0.855 139 S CB 3.765 66.827 63.200 -0.231 0.000 1.116 139 S HN -0.197 8.116 8.310 0.004 0.000 0.472 140 G N -1.200 107.409 108.800 -0.318 0.000 2.316 140 G HA2 0.173 3.932 3.960 -0.335 0.000 0.296 140 G HA3 0.173 4.253 3.960 -0.033 -0.140 0.296 140 G C -2.449 172.256 174.900 -0.325 0.000 1.399 140 G CA 0.614 45.561 45.100 -0.255 0.000 0.833 140 G HN 0.319 8.364 8.290 -0.409 0.000 0.565 141 W N 1.099 122.370 121.300 -0.048 0.000 3.015 141 W HA 0.392 5.008 4.660 -0.073 0.000 0.429 141 W C -0.331 176.232 176.519 0.074 0.000 0.976 141 W CA -1.021 56.262 57.345 -0.103 0.000 2.086 141 W CB 0.137 29.346 29.460 -0.418 0.000 1.125 141 W HN 0.584 8.958 8.180 0.324 0.000 0.721 142 G N 0.791 109.751 108.800 0.267 0.000 2.588 142 G HA2 -0.007 4.277 3.960 0.540 0.000 0.281 142 G HA3 -0.007 4.263 3.960 0.237 -0.168 0.281 142 G C -1.037 173.861 174.900 -0.003 0.000 1.236 142 G CA -0.871 44.402 45.100 0.289 0.000 0.969 142 G HN -0.334 8.209 8.290 0.160 -0.157 0.504 143 N N -0.506 118.016 118.700 -0.297 0.000 2.353 143 N HA -0.311 3.855 4.740 -1.229 -0.164 0.248 143 N C 0.764 176.108 175.510 -0.276 0.000 1.240 143 N CA 1.220 53.855 53.050 -0.692 0.000 0.862 143 N CB 0.604 38.751 38.487 -0.566 0.000 1.086 143 N HN -0.016 8.337 8.380 -0.044 0.000 0.453 144 T N -0.337 114.070 114.554 -0.245 0.000 3.085 144 T HA 0.181 4.595 4.350 -0.090 -0.118 0.264 144 T C -0.131 174.517 174.700 -0.085 0.000 1.019 144 T CA 0.116 62.146 62.100 -0.117 0.000 0.910 144 T CB 1.314 70.132 68.868 -0.082 0.000 1.059 144 T HN 0.350 8.398 8.240 -0.321 0.000 0.542 145 K N 1.723 122.063 120.400 -0.100 0.000 2.324 145 K HA 0.371 4.668 4.320 -0.038 0.000 0.253 145 K C -0.288 176.290 176.600 -0.037 0.000 0.932 145 K CA -2.086 54.168 56.287 -0.054 0.000 0.799 145 K CB 2.511 34.981 32.500 -0.049 0.000 1.154 145 K HN -0.790 7.546 8.250 -0.153 -0.178 0.425 146 S N 2.397 118.088 115.700 -0.015 0.000 2.377 146 S HA -0.188 4.284 4.470 0.003 0.000 0.223 146 S C 0.130 174.734 174.600 0.006 0.000 1.030 146 S CA 2.173 60.374 58.200 0.001 0.000 0.970 146 S CB 0.402 63.607 63.200 0.009 0.000 0.830 146 S HN 0.256 8.558 8.310 -0.013 0.000 0.473 147 S N 1.467 117.169 115.700 0.003 0.000 2.328 147 S HA 0.136 4.614 4.470 0.014 0.000 0.204 147 S C -0.936 173.667 174.600 0.006 0.000 1.475 147 S CA -0.532 57.673 58.200 0.009 0.000 1.148 147 S CB 0.096 63.302 63.200 0.010 0.000 1.077 147 S HN -0.386 7.923 8.310 -0.001 0.000 0.479 148 G N 2.932 111.736 108.800 0.006 0.000 2.369 148 G HA2 -0.137 3.834 3.960 0.018 0.000 0.293 148 G HA3 -0.137 3.825 3.960 0.002 0.000 0.293 148 G C -2.654 172.246 174.900 -0.001 0.000 1.301 148 G CA -0.095 45.009 45.100 0.007 0.000 0.913 148 G HN -0.424 7.871 8.290 0.009 0.000 0.540 149 T N 0.010 114.570 114.554 0.010 0.000 2.937 149 T HA 0.189 4.676 4.350 -0.073 -0.181 0.297 149 T C -1.580 173.125 174.700 0.008 0.000 0.991 149 T CA -0.094 62.014 62.100 0.013 0.000 0.990 149 T CB 2.340 71.281 68.868 0.123 0.000 0.991 149 T HN -0.080 8.173 8.240 0.021 0.000 0.440 150 S N 6.141 121.781 115.700 -0.101 0.000 2.706 150 S HA 0.220 4.730 4.470 0.066 0.000 0.270 150 S C -2.315 172.201 174.600 -0.140 0.000 1.163 150 S CA 0.014 58.196 58.200 -0.029 0.000 1.042 150 S CB 1.289 64.469 63.200 -0.033 0.000 1.079 150 S HN 0.566 9.059 8.310 -0.290 -0.357 0.474 151 Y N 5.838 126.170 120.300 0.054 0.000 2.331 151 Y HA 0.265 4.863 4.550 0.080 0.000 0.338 151 Y C -1.122 174.821 175.900 0.071 0.000 0.992 151 Y CA -2.753 55.391 58.100 0.073 0.000 1.121 151 Y CB 1.312 39.822 38.460 0.083 0.000 1.184 151 Y HN 0.118 8.567 8.280 0.281 0.000 0.469 152 P HA 0.396 4.888 4.420 0.120 0.000 0.278 152 P C -1.694 175.736 177.300 0.216 0.000 1.258 152 P CA -0.750 62.443 63.100 0.155 0.000 0.811 152 P CB 2.143 33.900 31.700 0.094 0.000 1.063 153 D N -1.420 119.088 120.400 0.179 0.000 2.388 153 D HA -0.046 4.677 4.640 0.138 0.000 0.208 153 D C -1.495 174.979 176.300 0.290 0.000 1.035 153 D CA 0.852 54.956 54.000 0.173 0.000 0.875 153 D CB 0.968 41.825 40.800 0.095 0.000 0.984 153 D HN 0.422 8.874 8.370 0.136 0.000 0.508 154 V N -7.510 112.563 119.914 0.264 0.000 2.881 154 V HA 0.706 5.226 4.120 0.392 -0.166 0.316 154 V C -0.870 175.247 176.094 0.038 0.000 1.070 154 V CA -2.931 59.515 62.300 0.243 0.000 0.976 154 V CB 2.320 34.206 31.823 0.104 0.000 1.038 154 V HN -0.958 7.341 8.190 0.182 0.000 0.446 155 L N 2.174 123.278 121.223 -0.199 0.000 2.455 155 L HA -0.053 3.511 4.340 -1.293 0.000 0.272 155 L C -0.259 176.354 176.870 -0.428 0.000 1.174 155 L CA 0.815 55.225 54.840 -0.717 0.000 0.869 155 L CB 0.682 42.298 42.059 -0.738 0.000 1.130 155 L HN -0.136 8.283 8.230 0.004 -0.186 0.474 156 K N 5.337 125.461 120.400 -0.459 0.000 2.203 156 K HA 0.717 5.010 4.320 -0.341 -0.178 0.251 156 K C -1.142 175.200 176.600 -0.430 0.000 0.944 156 K CA -2.683 53.387 56.287 -0.361 0.000 0.829 156 K CB 2.336 34.689 32.500 -0.246 0.000 1.125 156 K HN -0.185 7.718 8.250 -0.578 0.000 0.430 157 c N -0.006 118.232 118.600 -0.603 0.000 2.667 157 c HA 0.970 5.466 4.570 -0.406 -0.170 0.323 157 c C -1.734 171.971 174.090 -0.642 0.000 1.214 157 c CA -0.842 55.079 56.329 -0.679 0.000 1.721 157 c CB 3.624 45.576 42.510 -0.931 0.000 2.275 157 c HN 0.838 8.528 8.230 -0.720 0.108 0.491 158 L N 0.801 121.863 121.223 -0.267 0.000 2.543 158 L HA 0.437 4.809 4.340 0.054 0.000 0.265 158 L C -2.618 174.317 176.870 0.108 0.000 0.945 158 L CA 0.267 55.099 54.840 -0.014 0.000 0.869 158 L CB 4.361 46.429 42.059 0.015 0.000 1.294 158 L HN 0.741 8.854 8.230 -0.195 0.000 0.405 159 K N 6.384 126.913 120.400 0.214 0.000 2.185 159 K HA 0.922 5.548 4.320 0.127 -0.230 0.269 159 K C -0.951 175.783 176.600 0.224 0.000 0.987 159 K CA -0.982 55.414 56.287 0.182 0.000 0.865 159 K CB 1.713 34.323 32.500 0.183 0.000 1.090 159 K HN 0.332 8.748 8.250 0.276 0.000 0.450 160 A N 3.783 126.677 122.820 0.123 0.000 2.549 160 A HA 0.694 5.059 4.320 0.075 0.000 0.297 160 A C -3.422 174.106 177.584 -0.093 0.000 1.061 160 A CA -2.577 49.474 52.037 0.023 0.000 0.690 160 A CB 3.012 22.020 19.000 0.012 0.000 1.287 160 A HN 0.786 8.974 8.150 0.065 0.000 0.402 161 P HA 0.730 5.291 4.420 -0.095 -0.199 0.285 161 P C -1.142 176.082 177.300 -0.126 0.000 1.269 161 P CA -1.533 61.483 63.100 -0.141 0.000 0.844 161 P CB 1.777 33.395 31.700 -0.137 0.000 1.094 162 I N -0.411 120.104 120.570 -0.093 0.000 2.529 162 I HA -0.060 4.248 4.170 0.046 -0.111 0.284 162 I C 0.189 176.283 176.117 -0.038 0.000 1.082 162 I CA 0.619 61.890 61.300 -0.049 0.000 1.406 162 I CB 0.351 38.250 38.000 -0.169 0.000 1.405 162 I HN 0.107 8.255 8.210 -0.103 0.000 0.548 163 L N 5.673 126.907 121.223 0.018 0.000 2.387 163 L HA 0.363 4.688 4.340 -0.026 0.000 0.266 163 L C -0.757 176.127 176.870 0.024 0.000 1.059 163 L CA -1.301 53.542 54.840 0.005 0.000 0.801 163 L CB 0.838 42.908 42.059 0.019 0.000 1.223 163 L HN 0.359 8.644 8.230 0.093 0.000 0.456 164 S N -0.701 115.007 115.700 0.013 0.000 2.579 164 S HA -0.067 4.408 4.470 0.009 0.000 0.275 164 S C 0.671 175.295 174.600 0.041 0.000 1.345 164 S CA -0.582 57.628 58.200 0.017 0.000 1.031 164 S CB 1.154 64.359 63.200 0.009 0.000 0.892 164 S HN 0.132 8.444 8.310 0.004 0.000 0.529 165 D N 2.686 123.112 120.400 0.044 0.000 2.178 165 D HA -0.252 4.438 4.640 0.085 0.000 0.201 165 D C 1.947 178.280 176.300 0.055 0.000 0.980 165 D CA 3.728 57.766 54.000 0.063 0.000 0.842 165 D CB -0.231 40.603 40.800 0.057 0.000 0.948 165 D HN 0.538 8.926 8.370 0.031 0.000 0.472 166 S N -0.473 115.249 115.700 0.038 0.000 2.368 166 S HA -0.341 4.150 4.470 0.035 0.000 0.225 166 S C 1.865 176.483 174.600 0.031 0.000 1.030 166 S CA 3.170 61.389 58.200 0.031 0.000 0.999 166 S CB -0.134 63.078 63.200 0.020 0.000 0.844 166 S HN 0.096 8.409 8.310 0.030 0.015 0.459 167 S N 1.893 117.609 115.700 0.027 0.000 2.428 167 S HA -0.148 4.327 4.470 0.009 0.000 0.230 167 S C 1.981 176.600 174.600 0.031 0.000 1.014 167 S CA 2.945 61.157 58.200 0.018 0.000 0.957 167 S CB -0.135 63.072 63.200 0.012 0.000 0.784 167 S HN -0.442 7.884 8.310 0.027 0.000 0.499 168 c N 3.823 122.460 118.600 0.062 0.000 2.453 168 c HA -0.225 4.417 4.570 0.119 0.000 0.277 168 c C 1.895 176.071 174.090 0.142 0.000 1.262 168 c CA 2.803 59.199 56.329 0.110 0.000 1.718 168 c CB -1.773 40.805 42.510 0.114 0.000 2.031 168 c HN -0.312 7.841 8.230 0.059 0.112 0.480 169 K N -0.958 119.507 120.400 0.109 0.000 2.148 169 K HA -0.312 4.106 4.320 0.163 0.000 0.204 169 K C 2.161 178.807 176.600 0.076 0.000 1.050 169 K CA 3.090 59.445 56.287 0.113 0.000 0.942 169 K CB -0.084 32.467 32.500 0.084 0.000 0.724 169 K HN 0.196 8.498 8.250 0.087 0.000 0.446 170 S N -1.064 114.657 115.700 0.035 0.000 2.406 170 S HA -0.240 4.237 4.470 0.011 0.000 0.228 170 S C 0.752 175.321 174.600 -0.051 0.000 1.020 170 S CA 2.814 61.014 58.200 0.001 0.000 0.965 170 S CB -0.052 63.144 63.200 -0.007 0.000 0.798 170 S HN -0.377 7.953 8.310 0.035 0.000 0.488 171 A N -0.711 122.046 122.820 -0.104 0.000 1.929 171 A HA -0.087 4.063 4.320 -0.283 0.000 0.216 171 A C -0.732 176.550 177.584 -0.503 0.000 1.176 171 A CA 1.808 53.637 52.037 -0.347 0.000 0.628 171 A CB 0.870 19.585 19.000 -0.475 0.000 0.816 171 A HN -0.788 7.230 8.150 -0.046 0.104 0.444 172 Y N -5.256 115.080 120.300 0.061 0.000 2.658 172 Y HA 0.505 5.125 4.550 0.118 0.000 0.362 172 Y C -2.562 173.398 175.900 0.100 0.000 1.017 172 Y CA -3.144 55.026 58.100 0.117 0.000 1.134 172 Y CB -0.278 38.309 38.460 0.212 0.000 1.144 172 Y HN -0.593 7.737 8.280 0.082 0.000 0.655 173 P HA -0.008 4.574 4.420 0.100 -0.102 0.262 173 P C 0.569 177.935 177.300 0.110 0.000 1.182 173 P CA 0.468 63.632 63.100 0.106 0.000 0.761 173 P CB 0.212 31.947 31.700 0.059 0.000 0.795 174 G N 4.915 113.770 108.800 0.092 0.000 2.166 174 G HA2 -0.247 3.748 3.960 0.058 0.000 0.260 174 G HA3 -0.247 3.743 3.960 0.050 0.000 0.260 174 G C 0.070 175.016 174.900 0.077 0.000 0.986 174 G CA 0.927 46.068 45.100 0.068 0.000 0.683 174 G HN 0.484 8.827 8.290 0.087 0.000 0.527 175 Q N -2.343 117.539 119.800 0.137 0.000 2.280 175 Q HA 0.074 4.441 4.340 0.045 0.000 0.228 175 Q C -0.330 175.790 176.000 0.200 0.000 0.857 175 Q CA -0.192 55.693 55.803 0.137 0.000 0.939 175 Q CB 1.542 30.404 28.738 0.205 0.000 1.114 175 Q HN -0.351 7.964 8.270 0.179 0.063 0.514 176 I N 0.096 120.788 120.570 0.203 0.000 2.353 176 I HA 0.035 4.348 4.170 0.240 0.000 0.293 176 I C -0.075 176.116 176.117 0.124 0.000 0.992 176 I CA -2.099 59.313 61.300 0.187 0.000 1.268 176 I CB -0.565 37.535 38.000 0.166 0.000 1.387 176 I HN -0.506 7.815 8.210 0.185 0.000 0.478 177 T N 2.163 116.787 114.554 0.116 0.000 2.919 177 T HA 0.380 4.769 4.350 0.065 0.000 0.282 177 T C 0.716 175.465 174.700 0.083 0.000 1.020 177 T CA -2.046 60.101 62.100 0.079 0.000 0.994 177 T CB 2.436 71.341 68.868 0.063 0.000 1.180 177 T HN -0.409 7.915 8.240 0.141 0.000 0.566 178 S N -2.027 113.708 115.700 0.058 0.000 2.555 178 S HA -0.177 4.332 4.470 0.066 0.000 0.230 178 S C 0.388 175.028 174.600 0.067 0.000 0.978 178 S CA 1.951 60.183 58.200 0.053 0.000 0.934 178 S CB -0.206 63.007 63.200 0.021 0.000 0.766 178 S HN 0.289 8.624 8.310 0.042 0.000 0.533 179 N N 0.642 119.393 118.700 0.085 0.000 2.268 179 N HA 0.165 4.967 4.740 0.104 0.000 0.204 179 N C -1.669 173.960 175.510 0.199 0.000 1.124 179 N CA -0.333 52.799 53.050 0.137 0.000 0.838 179 N CB 0.848 39.436 38.487 0.168 0.000 0.994 179 N HN -0.606 7.746 8.380 0.081 0.076 0.489 180 M N -1.481 118.221 119.600 0.170 0.000 2.593 180 M HA 0.822 5.571 4.480 0.093 -0.213 0.290 180 M C -2.133 174.283 176.300 0.193 0.000 1.244 180 M CA -0.354 55.022 55.300 0.127 0.000 0.857 180 M CB 5.142 37.792 32.600 0.084 0.000 1.738 180 M HN -0.778 7.514 8.290 0.150 0.087 0.461 181 F N -5.186 114.805 119.950 0.069 0.000 2.645 181 F HA 0.625 5.177 4.527 0.042 0.000 0.310 181 F C -2.656 173.193 175.800 0.082 0.000 1.102 181 F CA -2.057 55.980 58.000 0.061 0.000 0.952 181 F CB 2.217 41.252 39.000 0.058 0.000 1.326 181 F HN 0.088 8.249 8.300 -0.232 0.000 0.456 182 c N -0.061 118.700 118.600 0.267 0.000 2.397 182 c HA 1.008 5.814 4.570 0.079 -0.189 0.343 182 c C -1.086 173.194 174.090 0.318 0.000 1.188 182 c CA -1.142 55.294 56.329 0.178 0.000 1.992 182 c CB 2.963 45.535 42.510 0.102 0.000 2.358 182 c HN 0.874 9.295 8.230 0.318 0.000 0.518 183 A N 2.390 125.380 122.820 0.284 0.000 2.476 183 A HA 0.622 5.123 4.320 0.074 -0.135 0.280 183 A C -2.323 175.308 177.584 0.080 0.000 1.081 183 A CA -0.453 51.662 52.037 0.131 0.000 0.753 183 A CB 2.720 21.698 19.000 -0.036 0.000 1.248 183 A HN 0.399 8.753 8.150 0.340 0.000 0.424 184 Y N 3.011 123.344 120.300 0.055 0.000 2.404 184 Y HA 0.088 4.682 4.550 0.034 -0.023 0.344 184 Y C 1.069 176.987 175.900 0.029 0.000 0.995 184 Y CA -0.334 57.788 58.100 0.037 0.000 1.201 184 Y CB 0.245 38.724 38.460 0.032 0.000 1.151 184 Y HN 0.236 8.630 8.280 0.190 0.000 0.517 185 L N 4.499 125.788 121.223 0.110 0.000 2.265 185 L HA -0.387 3.984 4.340 0.052 0.000 0.215 185 L C 1.116 178.031 176.870 0.075 0.000 1.117 185 L CA 2.627 57.506 54.840 0.066 0.000 0.782 185 L CB -0.513 41.565 42.059 0.032 0.000 0.914 185 L HN 0.556 8.831 8.230 0.076 0.000 0.441 186 E N -2.458 117.806 120.200 0.107 0.000 2.268 186 E HA -0.163 4.217 4.350 0.049 0.000 0.195 186 E C 0.927 177.564 176.600 0.063 0.000 0.995 186 E CA 0.583 57.026 56.400 0.073 0.000 0.836 186 E CB -0.334 29.407 29.700 0.069 0.000 0.763 186 E HN 0.170 8.585 8.360 0.151 0.036 0.491 187 G N 0.780 109.636 108.800 0.094 0.000 3.439 187 G HA2 -0.350 3.758 3.960 0.089 0.000 0.686 187 G HA3 -0.350 3.661 3.960 0.048 -0.023 0.686 187 G C -0.955 173.975 174.900 0.050 0.000 1.075 187 G CA -0.354 44.789 45.100 0.072 0.000 0.926 187 G HN -0.485 7.741 8.290 0.146 0.151 0.485 188 K N 1.916 122.328 120.400 0.021 0.000 6.706 188 K HA -0.594 4.004 4.320 0.026 -0.263 0.669 188 K C -1.312 175.388 176.600 0.168 0.000 2.465 188 K CA 0.795 57.116 56.287 0.056 0.000 1.801 188 K CB 0.142 32.605 32.500 -0.062 0.000 1.883 188 K HN 0.267 8.554 8.250 0.061 0.000 0.285 189 D N 0.405 120.881 120.400 0.127 0.000 2.764 189 D HA 0.268 5.022 4.640 0.191 0.000 0.293 189 D C -1.879 174.485 176.300 0.108 0.000 1.287 189 D CA -0.637 53.447 54.000 0.140 0.000 0.768 189 D CB 3.731 44.593 40.800 0.105 0.000 1.288 189 D HN -0.102 8.319 8.370 0.085 0.000 0.426 190 S N -1.444 114.333 115.700 0.129 0.000 2.713 190 S HA 0.324 4.906 4.470 0.083 -0.062 0.277 190 S C -1.473 173.167 174.600 0.067 0.000 1.168 190 S CA -0.463 57.802 58.200 0.109 0.000 0.994 190 S CB 1.843 65.153 63.200 0.184 0.000 1.054 190 S HN 0.244 8.648 8.310 0.156 0.000 0.555 191 c N -1.537 117.106 118.600 0.071 0.000 3.314 191 c HA 0.253 4.858 4.570 0.057 0.000 0.344 191 c C -1.325 172.837 174.090 0.120 0.000 1.461 191 c CA -0.766 55.603 56.329 0.068 0.000 1.249 191 c CB 2.967 45.495 42.510 0.030 0.000 1.632 191 c HN 0.260 8.787 8.230 0.089 -0.243 0.452 192 Q N 0.993 120.878 119.800 0.142 0.000 2.315 192 Q HA -0.150 4.324 4.340 0.223 0.000 0.289 192 Q C 0.887 177.070 176.000 0.304 0.000 1.044 192 Q CA 0.961 56.896 55.803 0.220 0.000 0.920 192 Q CB -0.451 28.421 28.738 0.223 0.000 1.214 192 Q HN 0.460 8.797 8.270 0.112 0.000 0.392 193 G N 4.956 113.947 108.800 0.318 0.000 2.284 193 G HA2 -0.424 3.745 3.960 0.348 0.000 0.216 193 G HA3 -0.424 3.870 3.960 0.558 0.000 0.216 193 G C 0.524 175.653 174.900 0.382 0.000 1.009 193 G CA 0.824 46.171 45.100 0.412 0.000 0.625 193 G HN 0.304 8.761 8.290 0.278 0.000 0.501 194 D N 2.732 123.295 120.400 0.270 0.000 2.333 194 D HA 0.039 4.820 4.640 0.236 0.000 0.208 194 D C 0.099 176.508 176.300 0.183 0.000 0.984 194 D CA 1.140 55.266 54.000 0.210 0.000 0.873 194 D CB 0.356 41.243 40.800 0.145 0.000 0.935 194 D HN 0.143 8.558 8.370 0.242 0.100 0.521 195 S N -0.148 115.665 115.700 0.187 0.000 2.715 195 S HA -0.404 4.338 4.470 0.218 -0.142 0.318 195 S C 1.133 175.769 174.600 0.062 0.000 1.242 195 S CA 2.173 60.472 58.200 0.165 0.000 1.044 195 S CB -0.894 62.406 63.200 0.166 0.000 0.760 195 S HN -0.518 7.932 8.310 0.214 -0.012 0.501 196 G N 5.216 114.053 108.800 0.062 0.000 2.253 196 G HA2 -0.454 3.588 3.960 0.024 0.000 0.251 196 G HA3 -0.454 3.604 3.960 -0.030 -0.116 0.251 196 G C 0.088 175.039 174.900 0.086 0.000 0.998 196 G CA 0.322 45.439 45.100 0.028 0.000 0.621 196 G HN 0.785 9.045 8.290 0.127 0.106 0.524 197 G N 1.329 110.201 108.800 0.119 0.000 2.684 197 G HA2 0.197 4.240 3.960 0.139 0.000 0.255 197 G HA3 0.197 4.302 3.960 0.136 -0.064 0.255 197 G C -2.530 172.462 174.900 0.154 0.000 1.219 197 G CA -1.724 43.459 45.100 0.139 0.000 0.901 197 G HN -0.055 8.205 8.290 0.125 0.106 0.548 198 P HA 0.284 4.913 4.420 0.148 -0.120 0.281 198 P C -1.595 175.781 177.300 0.128 0.000 1.249 198 P CA -0.748 62.454 63.100 0.170 0.000 0.810 198 P CB 1.537 33.403 31.700 0.276 0.000 1.008 199 V N 2.337 122.306 119.914 0.090 0.000 2.419 199 V HA 0.310 4.601 4.120 0.003 -0.169 0.287 199 V C -1.303 174.810 176.094 0.030 0.000 1.017 199 V CA -0.464 61.850 62.300 0.025 0.000 0.844 199 V CB 1.802 33.614 31.823 -0.019 0.000 1.011 199 V HN -0.222 8.026 8.190 0.097 0.000 0.429 200 V N 8.078 128.002 119.914 0.016 0.000 2.417 200 V HA 0.665 4.946 4.120 -0.054 -0.193 0.291 200 V C -1.333 174.748 176.094 -0.023 0.000 1.024 200 V CA -1.317 60.964 62.300 -0.031 0.000 0.861 200 V CB 2.868 34.650 31.823 -0.068 0.000 0.985 200 V HN 0.787 8.999 8.190 0.038 0.000 0.436 201 c N 6.475 125.048 118.600 -0.045 0.000 2.431 201 c HA 0.611 5.161 4.570 -0.034 0.000 0.321 201 c C 0.599 174.659 174.090 -0.050 0.000 1.202 201 c CA -1.574 54.725 56.329 -0.050 0.000 1.398 201 c CB 1.651 44.111 42.510 -0.084 0.000 2.047 201 c HN 0.462 8.659 8.230 -0.056 0.000 0.465 202 S N 3.527 119.206 115.700 -0.035 0.000 3.587 202 S HA -0.402 4.056 4.470 -0.021 0.000 0.337 202 S C -0.197 174.384 174.600 -0.032 0.000 1.119 202 S CA 0.919 59.101 58.200 -0.031 0.000 0.976 202 S CB -1.092 62.086 63.200 -0.038 0.000 0.922 202 S HN 1.173 9.468 8.310 -0.026 0.000 0.503 203 G N -4.189 104.589 108.800 -0.036 0.000 2.159 203 G HA2 -0.437 3.495 3.960 -0.047 0.000 0.256 203 G HA3 -0.437 3.503 3.960 -0.033 0.000 0.256 203 G C -1.491 173.361 174.900 -0.079 0.000 0.977 203 G CA 0.077 45.148 45.100 -0.048 0.000 0.652 203 G HN -0.001 8.245 8.290 -0.031 0.025 0.531 210 Q N 1.249 121.077 119.800 0.046 0.000 2.378 210 Q HA 0.213 4.600 4.340 0.078 0.000 0.229 210 Q C -0.277 175.905 176.000 0.304 0.000 0.882 210 Q CA 0.111 55.969 55.803 0.092 0.000 0.936 210 Q CB 2.800 31.511 28.738 -0.044 0.000 1.092 210 Q HN 0.466 8.754 8.270 0.030 0.000 0.535 211 G N -3.018 105.967 108.800 0.308 0.000 2.694 211 G HA2 0.597 5.056 3.960 0.401 0.000 0.290 211 G HA3 0.597 4.801 3.960 0.407 0.000 0.290 211 G C -3.262 171.763 174.900 0.209 0.000 1.386 211 G CA -0.635 44.677 45.100 0.353 0.000 0.872 211 G HN -0.396 8.010 8.290 0.192 0.000 0.475 212 I N -1.368 119.320 120.570 0.198 0.000 2.498 212 I HA 0.554 5.044 4.170 0.174 -0.215 0.290 212 I C -0.491 175.762 176.117 0.225 0.000 1.032 212 I CA -1.420 59.986 61.300 0.177 0.000 1.073 212 I CB 4.380 42.450 38.000 0.117 0.000 1.251 212 I HN -0.418 7.897 8.210 0.175 0.000 0.426 213 V N 7.218 127.276 119.914 0.241 0.000 2.458 213 V HA -0.210 3.993 4.120 0.139 0.000 0.287 213 V C -1.169 174.982 176.094 0.095 0.000 1.009 213 V CA 2.027 64.429 62.300 0.170 0.000 1.091 213 V CB -1.147 30.791 31.823 0.193 0.000 0.960 213 V HN 0.486 8.699 8.190 0.213 0.105 0.476 214 S N 8.053 123.697 115.700 -0.094 0.000 2.942 214 S HA 0.380 5.143 4.470 0.331 -0.095 0.220 214 S C -0.680 173.933 174.600 0.023 0.000 0.945 214 S CA 0.964 59.209 58.200 0.076 0.000 0.851 214 S CB 2.129 65.371 63.200 0.068 0.000 0.820 214 S HN -0.126 7.927 8.310 -0.429 0.000 0.624 215 W N -4.176 116.921 121.300 -0.339 0.000 2.940 215 W HA 0.300 4.805 4.660 -0.259 0.000 0.394 215 W C -3.000 173.328 176.519 -0.318 0.000 1.155 215 W CA -0.727 56.431 57.345 -0.311 0.000 1.165 215 W CB 0.508 29.782 29.460 -0.310 0.000 1.492 215 W HN -0.188 7.650 8.180 -0.570 0.000 0.593 216 G N -2.542 106.295 108.800 0.061 0.000 2.340 216 G HA2 0.195 3.848 3.960 -0.512 0.000 0.299 216 G HA3 0.195 4.082 3.960 -0.122 0.000 0.299 216 G C -2.241 172.785 174.900 0.209 0.000 1.291 216 G CA 0.146 45.180 45.100 -0.109 0.000 0.841 216 G HN -0.015 8.494 8.290 0.365 0.000 0.500 220 c N 2.089 120.722 118.600 0.054 0.000 3.471 220 c HA 0.337 5.098 4.570 0.050 -0.160 0.191 220 c C -1.459 172.658 174.090 0.044 0.000 1.480 220 c CA -0.853 55.504 56.329 0.046 0.000 1.281 220 c CB -1.255 41.275 42.510 0.032 0.000 1.898 220 c HN 0.315 8.574 8.230 0.048 0.000 0.533 221 Q N -1.572 118.258 119.800 0.050 0.000 2.920 221 Q HA 0.130 4.489 4.340 0.032 0.000 0.255 221 Q C -1.544 174.478 176.000 0.036 0.000 0.976 221 Q CA -0.445 55.381 55.803 0.038 0.000 0.862 221 Q CB 2.525 31.285 28.738 0.038 0.000 1.952 221 Q HN 0.091 8.396 8.270 0.058 0.000 0.489 222 K N 3.720 124.134 120.400 0.024 0.000 2.382 222 K HA -0.234 4.243 4.320 0.033 -0.138 0.275 222 K C 0.023 176.621 176.600 -0.004 0.000 1.009 222 K CA 0.726 57.024 56.287 0.018 0.000 0.970 222 K CB 0.281 32.788 32.500 0.013 0.000 0.934 222 K HN 0.223 8.485 8.250 0.020 0.000 0.479 223 N N 2.486 121.181 118.700 -0.008 0.000 2.681 223 N HA -0.473 4.245 4.740 -0.037 0.000 0.250 223 N C -1.660 173.784 175.510 -0.110 0.000 1.133 223 N CA 1.963 54.983 53.050 -0.049 0.000 0.732 223 N CB -0.784 37.667 38.487 -0.060 0.000 1.107 223 N HN 0.791 9.059 8.380 0.012 0.119 0.559 224 K N -1.681 118.684 120.400 -0.057 0.000 2.842 224 K HA 0.530 4.701 4.320 -0.248 0.000 0.176 224 K C -2.454 174.194 176.600 0.080 0.000 1.080 224 K CA -3.719 52.539 56.287 -0.049 0.000 0.954 224 K CB 0.378 32.894 32.500 0.026 0.000 1.203 224 K HN -0.776 7.418 8.250 -0.006 0.052 0.611 225 P HA -0.068 4.407 4.420 0.092 0.000 0.273 225 P C -0.726 176.602 177.300 0.046 0.000 1.250 225 P CA -0.439 62.718 63.100 0.095 0.000 0.793 225 P CB 1.153 32.901 31.700 0.081 0.000 1.011 226 G N -2.708 106.096 108.800 0.006 0.000 2.503 226 G HA2 0.235 3.994 3.960 -0.336 0.000 0.257 226 G HA3 0.235 4.136 3.960 -0.222 -0.074 0.257 226 G C -1.542 173.018 174.900 -0.566 0.000 1.214 226 G CA -0.575 44.359 45.100 -0.277 0.000 0.839 226 G HN -0.450 7.905 8.290 0.108 0.000 0.559 227 V N 2.028 121.287 119.914 -1.092 0.000 2.495 227 V HA 0.550 4.394 4.120 -0.715 -0.153 0.298 227 V C -0.993 174.334 176.094 -1.278 0.000 1.031 227 V CA -0.950 60.661 62.300 -1.149 0.000 0.871 227 V CB 2.045 32.721 31.823 -1.911 0.000 0.988 227 V HN 0.517 8.038 8.190 -1.115 0.000 0.432 228 Y N 5.130 125.022 120.300 -0.680 0.000 2.485 228 Y HA 0.558 5.013 4.550 -0.382 -0.134 0.345 228 Y C 0.311 175.921 175.900 -0.483 0.000 0.998 228 Y CA -2.246 55.464 58.100 -0.649 0.000 1.059 228 Y CB 3.691 41.495 38.460 -1.094 0.000 1.234 228 Y HN 1.078 8.980 8.280 -0.629 0.000 0.461 229 T N 4.805 119.321 114.554 -0.062 0.000 2.870 229 T HA 0.004 4.561 4.350 0.104 -0.145 0.300 229 T C -0.635 174.194 174.700 0.215 0.000 0.989 229 T CA 1.590 63.740 62.100 0.083 0.000 1.139 229 T CB 0.511 69.419 68.868 0.067 0.000 0.920 229 T HN 0.349 8.586 8.240 -0.006 0.000 0.537 230 K N 8.234 128.851 120.400 0.362 0.000 2.150 230 K HA 0.154 4.914 4.320 0.733 0.000 0.261 230 K C 1.029 177.895 176.600 0.443 0.000 1.127 230 K CA -0.766 55.822 56.287 0.501 0.000 0.989 230 K CB -0.401 32.347 32.500 0.412 0.000 1.475 230 K HN 0.192 8.542 8.250 0.333 0.100 0.391 231 V N 5.580 125.738 119.914 0.407 0.000 2.453 231 V HA -0.545 3.895 4.120 0.533 0.000 0.252 231 V C 1.406 177.675 176.094 0.291 0.000 1.068 231 V CA 3.872 66.400 62.300 0.380 0.000 1.070 231 V CB -0.358 31.613 31.823 0.246 0.000 0.664 231 V HN 0.182 8.619 8.190 0.412 0.000 0.461 232 c N -4.015 114.689 118.600 0.174 0.000 2.409 232 c HA -0.194 4.426 4.570 0.084 0.000 0.284 232 c C 1.505 175.619 174.090 0.040 0.000 1.354 232 c CA 1.366 57.745 56.329 0.084 0.000 1.787 232 c CB -2.112 40.416 42.510 0.030 0.000 1.900 232 c HN 0.469 8.781 8.230 0.174 0.022 0.520 233 N N 0.708 119.398 118.700 -0.016 0.000 2.467 233 N HA -0.055 4.591 4.740 -0.156 0.000 0.184 233 N C 0.237 175.508 175.510 -0.398 0.000 1.106 233 N CA 0.964 53.860 53.050 -0.256 0.000 0.892 233 N CB -0.046 38.159 38.487 -0.471 0.000 0.969 233 N HN -0.317 8.062 8.380 0.071 0.044 0.454 234 Y N -4.402 115.977 120.300 0.133 0.000 2.531 234 Y HA 0.171 4.875 4.550 0.255 0.000 0.249 234 Y C 0.090 176.136 175.900 0.243 0.000 1.168 234 Y CA -0.761 57.480 58.100 0.235 0.000 1.226 234 Y CB -0.153 38.484 38.460 0.296 0.000 1.177 234 Y HN -0.146 8.071 8.280 0.206 0.187 0.527 235 V N 0.758 120.815 119.914 0.238 0.000 2.332 235 V HA -0.543 3.667 4.120 0.150 0.000 0.248 235 V C 1.546 177.708 176.094 0.114 0.000 1.055 235 V CA 5.135 67.524 62.300 0.149 0.000 1.038 235 V CB -0.535 31.337 31.823 0.082 0.000 0.651 235 V HN -0.591 7.702 8.190 0.171 0.000 0.450 236 S N -0.342 115.430 115.700 0.119 0.000 2.383 236 S HA -0.315 4.177 4.470 0.036 0.000 0.227 236 S C 1.919 176.589 174.600 0.116 0.000 1.026 236 S CA 2.721 60.972 58.200 0.086 0.000 0.981 236 S CB -0.416 62.833 63.200 0.081 0.000 0.818 236 S HN -0.054 8.326 8.310 0.117 0.000 0.472 237 W N 4.028 125.364 121.300 0.061 0.000 2.355 237 W HA -0.246 4.432 4.660 0.029 0.000 0.309 237 W C 1.159 177.686 176.519 0.014 0.000 1.206 237 W CA 3.407 60.793 57.345 0.068 0.000 1.284 237 W CB -0.144 29.434 29.460 0.198 0.000 1.145 237 W HN -0.436 7.961 8.180 0.373 0.006 0.502 238 I N -0.894 119.633 120.570 -0.072 0.000 2.127 238 I HA -0.769 2.896 4.170 -0.842 0.000 0.241 238 I C 1.947 177.810 176.117 -0.423 0.000 1.075 238 I CA 4.591 65.649 61.300 -0.403 0.000 1.334 238 I CB -0.244 37.691 38.000 -0.107 0.000 1.040 238 I HN 0.470 8.846 8.210 0.276 0.000 0.405 239 K N -1.476 118.787 120.400 -0.228 0.000 2.063 239 K HA -0.478 3.693 4.320 -0.249 0.000 0.208 239 K C 2.834 179.288 176.600 -0.243 0.000 1.048 239 K CA 3.779 59.938 56.287 -0.213 0.000 0.928 239 K CB -0.332 32.104 32.500 -0.107 0.000 0.713 239 K HN -0.046 8.134 8.250 -0.116 0.000 0.442 240 Q N -1.745 117.925 119.800 -0.217 0.000 2.079 240 Q HA -0.273 3.983 4.340 -0.140 0.000 0.200 240 Q C 2.504 178.335 176.000 -0.282 0.000 0.974 240 Q CA 3.594 59.285 55.803 -0.187 0.000 0.840 240 Q CB 0.115 28.792 28.738 -0.100 0.000 0.898 240 Q HN 0.119 8.282 8.270 -0.179 0.000 0.430 241 T N 2.419 116.689 114.554 -0.474 0.000 2.737 241 T HA -0.283 3.855 4.350 -0.353 0.000 0.265 241 T C 2.462 176.812 174.700 -0.582 0.000 1.038 241 T CA 5.007 66.778 62.100 -0.548 0.000 1.144 241 T CB -0.226 68.076 68.868 -0.943 0.000 0.866 241 T HN 0.067 7.965 8.240 -0.570 0.000 0.434 242 I N -2.160 117.924 120.570 -0.810 0.000 2.394 242 I HA -0.184 3.099 4.170 -1.478 0.000 0.251 242 I C 1.278 177.159 176.117 -0.394 0.000 1.136 242 I CA 3.019 63.685 61.300 -1.055 0.000 1.425 242 I CB -0.636 36.526 38.000 -1.397 0.000 1.079 242 I HN 0.044 7.788 8.210 -0.777 0.000 0.425 243 A N -0.491 122.162 122.820 -0.279 0.000 2.119 243 A HA -0.107 4.170 4.320 -0.072 0.000 0.217 243 A C 0.517 178.066 177.584 -0.058 0.000 1.153 243 A CA 1.786 53.752 52.037 -0.118 0.000 0.692 243 A CB -0.225 18.712 19.000 -0.105 0.000 0.799 243 A HN -0.239 7.697 8.150 -0.333 0.015 0.458 244 S N -3.292 112.360 115.700 -0.080 0.000 2.568 244 S HA 0.170 4.637 4.470 -0.005 0.000 0.232 244 S C -1.010 173.609 174.600 0.032 0.000 0.975 244 S CA 0.231 58.418 58.200 -0.023 0.000 0.949 244 S CB 0.667 63.843 63.200 -0.040 0.000 0.829 244 S HN -0.533 7.527 8.310 -0.155 0.157 0.479 245 N N 0.000 118.758 118.700 0.097 0.000 1.763 245 N HA 0.000 4.828 4.740 0.147 0.000 0.220 245 N CA 0.000 53.185 53.050 0.226 0.000 0.885 245 N CB 0.000 38.690 38.487 0.338 0.000 1.341 245 N HN 0.000 8.364 8.380 0.078 0.063 0.667