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 1o38_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV 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 4.184 4.170 0.024 0.000 0.288 16 I C 0.000 176.109 176.117 -0.014 0.000 1.063 16 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 16 I CB 0.000 37.961 38.000 -0.064 0.000 1.214 17 V N 5.901 125.818 119.914 0.006 0.000 2.435 17 V HA 0.252 4.499 4.120 -0.014 -0.135 0.290 17 V C 0.534 176.630 176.094 0.003 0.000 1.030 17 V CA -1.571 60.729 62.300 -0.000 0.000 0.881 17 V CB 1.262 33.091 31.823 0.009 0.000 0.983 17 V HN 0.952 9.159 8.190 0.028 0.000 0.445 18 G N 6.826 115.622 108.800 -0.008 0.000 2.160 18 G HA2 -0.424 3.528 3.960 -0.013 0.000 0.251 18 G HA3 -0.424 3.694 3.960 -0.030 -0.177 0.251 18 G C -0.817 174.089 174.900 0.010 0.000 1.008 18 G CA 0.613 45.706 45.100 -0.012 0.000 0.724 18 G HN 0.772 9.055 8.290 -0.011 0.000 0.514 19 G N -1.477 107.328 108.800 0.009 0.000 2.702 19 G HA2 0.676 4.678 3.960 0.100 0.000 0.254 19 G HA3 0.676 4.684 3.960 -0.085 -0.099 0.254 19 G C -1.479 173.464 174.900 0.071 0.000 1.380 19 G CA -1.354 43.756 45.100 0.016 0.000 1.042 19 G HN -0.677 7.576 8.290 -0.010 0.032 0.557 20 Y N -6.112 114.168 120.300 -0.033 0.000 2.638 20 Y HA 0.395 4.927 4.550 -0.029 0.000 0.339 20 Y C -1.775 174.098 175.900 -0.045 0.000 1.084 20 Y CA -2.877 55.203 58.100 -0.033 0.000 1.068 20 Y CB 1.157 39.600 38.460 -0.028 0.000 1.294 20 Y HN 0.364 8.204 8.280 -0.558 0.105 0.480 21 T N 2.963 117.551 114.554 0.057 0.000 2.769 21 T HA 0.054 4.462 4.350 -0.111 -0.125 0.293 21 T C -0.026 174.675 174.700 0.001 0.000 0.931 21 T CA 1.451 63.538 62.100 -0.021 0.000 1.139 21 T CB -0.304 68.585 68.868 0.034 0.000 0.881 21 T HN 0.129 8.462 8.240 0.155 0.000 0.532 22 c N 5.876 124.385 118.600 -0.152 0.000 2.413 22 c HA -0.174 4.370 4.570 -0.043 0.000 0.276 22 c C 0.385 174.489 174.090 0.022 0.000 1.236 22 c CA 1.008 57.283 56.329 -0.091 0.000 1.735 22 c CB -0.117 42.277 42.510 -0.193 0.000 2.031 22 c HN 0.190 8.281 8.230 -0.233 0.000 0.474 23 G N -2.331 106.465 108.800 -0.006 0.000 2.742 23 G HA2 -0.168 3.806 3.960 0.023 0.000 0.686 23 G HA3 -0.168 3.810 3.960 0.030 0.000 0.686 23 G C -1.988 172.911 174.900 -0.002 0.000 1.220 23 G CA -0.861 44.248 45.100 0.016 0.000 0.783 23 G HN -0.401 7.866 8.290 -0.039 0.000 0.646 24 A N 3.540 126.368 122.820 0.012 0.000 2.548 24 A HA -0.220 4.264 4.320 0.024 -0.149 0.247 24 A C -0.010 177.579 177.584 0.007 0.000 1.067 24 A CA 0.935 52.983 52.037 0.018 0.000 0.757 24 A CB 0.202 19.219 19.000 0.029 0.000 0.996 24 A HN 0.338 8.500 8.150 0.019 0.000 0.504 25 N N -2.534 116.168 118.700 0.003 0.000 2.708 25 N HA -0.395 4.336 4.740 -0.015 0.000 0.249 25 N C 0.271 175.762 175.510 -0.031 0.000 1.097 25 N CA 1.452 54.496 53.050 -0.010 0.000 0.710 25 N CB -1.089 37.404 38.487 0.009 0.000 1.032 25 N HN 0.702 9.092 8.380 0.015 0.000 0.551 26 T N -3.825 110.701 114.554 -0.046 0.000 3.100 26 T HA 0.021 4.362 4.350 -0.015 0.000 0.253 26 T C -0.058 174.587 174.700 -0.091 0.000 1.118 26 T CA 1.974 64.050 62.100 -0.038 0.000 1.058 26 T CB 0.504 69.363 68.868 -0.015 0.000 0.953 26 T HN -0.494 7.687 8.240 -0.051 0.028 0.515 27 V N 2.313 122.112 119.914 -0.192 0.000 2.320 27 V HA 0.378 4.242 4.120 -0.426 0.000 0.257 27 V C -1.563 174.226 176.094 -0.508 0.000 0.996 27 V CA -3.349 58.682 62.300 -0.448 0.000 0.928 27 V CB 0.653 32.184 31.823 -0.487 0.000 1.169 27 V HN -0.524 7.506 8.190 -0.162 0.062 0.475 28 P HA 0.061 4.521 4.420 -0.078 -0.086 0.230 28 P C -0.072 177.193 177.300 -0.057 0.000 1.158 28 P CA 1.535 64.572 63.100 -0.105 0.000 0.769 28 P CB 0.099 31.807 31.700 0.014 0.000 0.807 29 Y N -6.081 114.246 120.300 0.044 0.000 2.457 29 Y HA 0.510 5.229 4.550 0.058 -0.134 0.263 29 Y C -0.668 175.270 175.900 0.064 0.000 1.164 29 Y CA -3.337 54.795 58.100 0.053 0.000 1.274 29 Y CB -1.234 37.253 38.460 0.045 0.000 1.097 29 Y HN -0.412 7.304 8.280 -0.834 0.064 0.523 30 Q N 2.821 122.493 119.800 -0.213 0.000 2.304 30 Q HA 0.235 4.758 4.340 0.080 -0.135 0.260 30 Q C -0.344 175.739 176.000 0.139 0.000 0.965 30 Q CA 0.029 55.808 55.803 -0.039 0.000 0.898 30 Q CB 1.177 29.784 28.738 -0.219 0.000 1.196 30 Q HN -0.595 7.218 8.270 -0.480 0.168 0.402 31 V N 1.480 121.514 119.914 0.200 0.000 3.074 31 V HA 0.818 5.167 4.120 0.195 -0.112 0.314 31 V C -2.061 174.183 176.094 0.248 0.000 1.117 31 V CA -2.882 59.531 62.300 0.189 0.000 1.014 31 V CB 3.907 35.789 31.823 0.098 0.000 1.057 31 V HN 0.277 8.581 8.190 0.189 0.000 0.438 32 S N 0.685 116.430 115.700 0.076 0.000 2.473 32 S HA 0.470 5.159 4.470 0.169 -0.117 0.307 32 S C -1.059 173.405 174.600 -0.227 0.000 1.094 32 S CA -1.972 56.203 58.200 -0.042 0.000 1.070 32 S CB 1.814 64.791 63.200 -0.371 0.000 1.019 32 S HN 0.141 8.457 8.310 0.011 0.000 0.480 33 L N 7.117 128.069 121.223 -0.451 0.000 2.275 33 L HA 0.538 4.769 4.340 -0.396 -0.129 0.288 33 L C -1.540 174.836 176.870 -0.824 0.000 1.046 33 L CA -0.849 53.592 54.840 -0.664 0.000 0.805 33 L CB 0.815 42.272 42.059 -1.004 0.000 1.193 33 L HN 0.760 8.686 8.230 -0.506 0.000 0.426 38 G N 0.188 108.884 108.800 -0.173 0.000 2.176 38 G HA2 -0.273 3.669 3.960 -0.030 0.000 0.232 38 G HA3 -0.273 3.738 3.960 0.085 0.000 0.232 38 G C -1.836 173.141 174.900 0.128 0.000 0.986 38 G CA 0.566 45.667 45.100 0.002 0.000 0.643 38 G HN 0.148 8.673 8.290 -0.205 -0.358 0.522 39 Y N -7.577 112.692 120.300 -0.052 0.000 2.732 39 Y HA 0.183 4.688 4.550 -0.075 0.000 0.342 39 Y C -2.542 173.344 175.900 -0.023 0.000 1.203 39 Y CA -3.464 54.605 58.100 -0.051 0.000 1.092 39 Y CB 0.793 39.221 38.460 -0.053 0.000 1.345 39 Y HN -1.250 6.817 8.280 -0.384 -0.017 0.458 40 H N 2.468 121.477 119.070 -0.102 0.000 2.767 40 H HA -0.024 4.478 4.556 -0.356 -0.160 0.316 40 H C -0.445 174.862 175.328 -0.035 0.000 1.059 40 H CA 0.321 56.239 56.048 -0.216 0.000 1.461 40 H CB 0.303 29.919 29.762 -0.243 0.000 1.475 40 H HN 0.368 8.734 8.280 0.143 0.000 0.531 41 F N 2.332 121.831 119.950 -0.751 0.000 2.789 41 F HA 0.326 4.765 4.527 -0.147 0.000 0.320 41 F C -2.129 173.425 175.800 -0.410 0.000 1.079 41 F CA -0.693 57.071 58.000 -0.394 0.000 1.205 41 F CB 1.683 40.529 39.000 -0.258 0.000 1.046 41 F HN -0.103 7.477 8.300 -1.200 0.000 0.586 42 c N -1.644 116.281 118.600 -1.126 0.000 3.312 42 c HA 0.359 4.863 4.570 -0.191 -0.048 0.332 42 c C -1.680 172.204 174.090 -0.343 0.000 1.340 42 c CA -0.215 55.799 56.329 -0.525 0.000 1.265 42 c CB 3.959 46.224 42.510 -0.409 0.000 1.563 42 c HN -0.797 6.449 8.230 -1.641 0.000 0.471 43 G N -0.936 107.856 108.800 -0.013 0.000 2.705 43 G HA2 0.818 5.064 3.960 0.232 0.000 0.299 43 G HA3 0.818 4.911 3.960 0.221 0.000 0.299 43 G C -2.509 172.413 174.900 0.036 0.000 1.315 43 G CA -1.654 43.531 45.100 0.142 0.000 1.045 43 G HN 0.830 9.123 8.290 0.006 0.000 0.517 44 G N -4.053 104.804 108.800 0.094 0.000 2.495 44 G HA2 0.527 4.826 3.960 0.075 0.000 0.294 44 G HA3 0.527 4.519 3.960 0.052 0.000 0.294 44 G C -2.953 172.032 174.900 0.142 0.000 1.397 44 G CA 0.368 45.518 45.100 0.084 0.000 0.790 44 G HN -0.583 7.798 8.290 0.153 0.000 0.486 45 S N -0.621 115.168 115.700 0.149 0.000 2.557 45 S HA 0.849 5.697 4.470 0.271 -0.215 0.291 45 S C -1.336 173.368 174.600 0.173 0.000 1.116 45 S CA -0.883 57.439 58.200 0.204 0.000 0.992 45 S CB 3.857 67.164 63.200 0.178 0.000 1.028 45 S HN 0.403 8.787 8.310 0.123 0.000 0.484 46 L N 6.225 127.567 121.223 0.198 0.000 2.313 46 L HA 0.185 4.732 4.340 0.149 -0.117 0.282 46 L C -0.713 176.242 176.870 0.142 0.000 1.092 46 L CA -0.114 54.824 54.840 0.163 0.000 0.831 46 L CB 1.038 43.193 42.059 0.160 0.000 1.159 46 L HN 0.494 8.880 8.230 0.260 0.000 0.442 47 I N 0.305 120.955 120.570 0.134 0.000 4.070 47 I HA 0.510 4.877 4.170 0.065 -0.157 0.328 47 I C -0.954 175.221 176.117 0.098 0.000 1.298 47 I CA -0.644 60.713 61.300 0.094 0.000 1.173 47 I CB 0.820 38.866 38.000 0.077 0.000 1.051 47 I HN 0.418 8.726 8.210 0.163 0.000 0.409 48 N N -2.396 116.384 118.700 0.135 0.000 3.261 48 N HA 0.167 4.964 4.740 0.095 0.000 0.248 48 N C -0.592 174.998 175.510 0.134 0.000 1.498 48 N CA -0.570 52.557 53.050 0.128 0.000 0.884 48 N CB 0.752 39.325 38.487 0.143 0.000 1.428 48 N HN -0.912 7.564 8.380 0.159 0.000 0.517 49 S N -3.411 112.354 115.700 0.108 0.000 2.507 49 S HA -0.337 4.176 4.470 0.071 0.000 0.235 49 S C 0.802 175.436 174.600 0.057 0.000 0.988 49 S CA 2.773 61.020 58.200 0.077 0.000 0.944 49 S CB -0.135 63.099 63.200 0.056 0.000 0.762 49 S HN 0.388 8.759 8.310 0.101 0.000 0.526 50 Q N -0.502 119.348 119.800 0.084 0.000 2.164 50 Q HA 0.342 4.625 4.340 -0.095 0.000 0.226 50 Q C -2.128 173.733 176.000 -0.231 0.000 0.813 50 Q CA -0.414 55.343 55.803 -0.076 0.000 0.978 50 Q CB 2.714 31.389 28.738 -0.106 0.000 1.149 50 Q HN 0.128 8.807 8.270 0.180 -0.301 0.489 51 W N -2.172 119.136 121.300 0.013 0.000 2.915 51 W HA 0.736 5.608 4.660 0.010 -0.206 0.337 51 W C -1.522 175.012 176.519 0.026 0.000 1.102 51 W CA -1.133 56.219 57.345 0.012 0.000 1.224 51 W CB 3.862 33.320 29.460 -0.003 0.000 1.416 51 W HN -0.358 8.097 8.180 0.258 -0.120 0.503 52 V N 1.285 121.362 119.914 0.272 0.000 2.680 52 V HA 0.777 5.186 4.120 0.173 -0.185 0.309 52 V C -1.450 174.762 176.094 0.196 0.000 1.052 52 V CA -1.648 60.762 62.300 0.183 0.000 0.908 52 V CB 3.606 35.490 31.823 0.102 0.000 1.001 52 V HN 0.859 9.223 8.190 0.290 0.000 0.431 53 V N 6.264 126.270 119.914 0.154 0.000 2.513 53 V HA 0.726 5.103 4.120 0.161 -0.160 0.299 53 V C -1.262 174.891 176.094 0.098 0.000 1.035 53 V CA -1.186 61.197 62.300 0.137 0.000 0.889 53 V CB 2.023 33.920 31.823 0.123 0.000 0.988 53 V HN 0.745 9.020 8.190 0.142 0.000 0.440 54 S N 4.237 119.981 115.700 0.074 0.000 2.880 54 S HA 0.573 5.275 4.470 0.032 -0.212 0.308 54 S C -2.058 172.532 174.600 -0.016 0.000 1.195 54 S CA -2.495 55.719 58.200 0.024 0.000 0.866 54 S CB 2.554 65.754 63.200 -0.000 0.000 1.254 54 S HN 0.672 9.036 8.310 0.091 0.000 0.571 55 A N -0.478 122.292 122.820 -0.084 0.000 2.306 55 A HA 0.461 4.870 4.320 -0.109 -0.154 0.314 55 A C 0.540 177.997 177.584 -0.212 0.000 1.164 55 A CA -1.658 50.286 52.037 -0.154 0.000 0.822 55 A CB 1.571 20.422 19.000 -0.249 0.000 1.130 55 A HN 0.306 8.397 8.150 -0.099 0.000 0.496 56 A N 5.189 127.835 122.820 -0.291 0.000 1.978 56 A HA -0.273 3.893 4.320 -0.256 0.000 0.220 56 A C 1.324 178.666 177.584 -0.403 0.000 1.170 56 A CA 2.931 54.681 52.037 -0.480 0.000 0.636 56 A CB -0.413 17.905 19.000 -1.135 0.000 0.810 56 A HN 0.601 8.601 8.150 -0.267 -0.010 0.448 57 H N -4.851 114.049 119.070 -0.282 0.000 2.563 57 H HA -0.082 4.492 4.556 0.030 0.000 0.272 57 H C 0.206 175.580 175.328 0.077 0.000 1.005 57 H CA 1.398 57.441 56.048 -0.007 0.000 1.171 57 H CB -1.163 28.674 29.762 0.125 0.000 1.351 57 H HN -0.009 8.441 8.280 -0.212 -0.298 0.602 58 c N -1.279 117.230 118.600 -0.153 0.000 2.791 58 c HA -0.028 4.612 4.570 0.116 0.000 0.270 58 c C -0.956 173.215 174.090 0.135 0.000 1.257 58 c CA 0.169 56.514 56.329 0.027 0.000 1.699 58 c CB -1.429 41.062 42.510 -0.031 0.000 1.904 58 c HN -0.614 7.282 8.230 -0.233 0.194 0.603 59 Y N 2.423 122.722 120.300 -0.003 0.000 2.610 59 Y HA -0.215 4.353 4.550 0.030 0.000 0.332 59 Y C -1.362 174.519 175.900 -0.031 0.000 1.201 59 Y CA 1.520 59.621 58.100 0.002 0.000 1.465 59 Y CB 0.907 39.353 38.460 -0.022 0.000 1.283 59 Y HN -0.425 7.766 8.280 0.151 0.180 0.563 60 K N 6.138 125.766 120.400 -1.286 0.000 2.658 60 K HA 0.203 4.037 4.320 -0.810 0.000 0.293 60 K C -2.314 173.768 176.600 -0.863 0.000 1.026 60 K CA -0.983 54.747 56.287 -0.929 0.000 0.871 60 K CB 2.467 34.602 32.500 -0.607 0.000 1.524 60 K HN -0.147 7.300 8.250 -1.339 0.000 0.400 61 S N -0.745 114.670 115.700 -0.474 0.000 2.687 61 S HA 0.093 4.399 4.470 -0.272 0.000 0.283 61 S C 0.737 175.210 174.600 -0.211 0.000 1.170 61 S CA -0.273 57.767 58.200 -0.266 0.000 1.008 61 S CB 1.329 64.463 63.200 -0.110 0.000 1.026 61 S HN -0.052 8.045 8.310 -0.355 0.000 0.541 62 G N 0.108 108.825 108.800 -0.138 0.000 2.248 62 G HA2 -0.208 3.701 3.960 -0.085 0.000 0.263 62 G HA3 -0.208 3.681 3.960 -0.120 0.000 0.263 62 G C -1.249 173.583 174.900 -0.113 0.000 1.082 62 G CA 0.113 45.145 45.100 -0.114 0.000 0.863 62 G HN 0.284 8.509 8.290 -0.108 0.000 0.495 63 I N -0.583 119.932 120.570 -0.092 0.000 2.353 63 I HA 0.203 4.493 4.170 -0.002 -0.121 0.293 63 I C -1.552 174.524 176.117 -0.067 0.000 0.992 63 I CA -0.753 60.522 61.300 -0.042 0.000 1.268 63 I CB 1.020 39.017 38.000 -0.004 0.000 1.387 63 I HN -0.386 7.767 8.210 -0.095 0.000 0.478 64 Q N 7.111 126.855 119.800 -0.093 0.000 3.106 64 Q HA 0.501 4.788 4.340 -0.088 0.000 0.247 64 Q C -1.658 174.248 176.000 -0.157 0.000 1.033 64 Q CA -1.934 53.795 55.803 -0.124 0.000 0.888 64 Q CB 4.298 32.929 28.738 -0.178 0.000 1.586 64 Q HN 0.539 8.756 8.270 -0.087 0.000 0.482 65 R N -2.554 117.882 120.500 -0.107 0.000 2.937 65 R HA 0.395 4.981 4.340 0.133 -0.167 0.273 65 R C -1.437 174.897 176.300 0.057 0.000 1.176 65 R CA 0.035 56.117 56.100 -0.029 0.000 1.132 65 R CB 2.468 32.608 30.300 -0.267 0.000 1.270 65 R HN 0.558 8.745 8.270 -0.139 0.000 0.425 70 E N -0.380 119.919 120.200 0.165 0.000 2.283 70 E HA 0.106 4.535 4.350 0.133 0.000 0.271 70 E C -1.823 174.963 176.600 0.309 0.000 1.031 70 E CA 0.268 56.780 56.400 0.187 0.000 0.868 70 E CB 1.522 31.264 29.700 0.069 0.000 1.094 70 E HN -0.629 7.812 8.360 0.188 0.031 0.401 71 D N 1.017 121.573 120.400 0.260 0.000 2.957 71 D HA 0.061 4.912 4.640 0.352 0.000 0.175 71 D C -1.057 175.437 176.300 0.324 0.000 1.502 71 D CA 1.062 55.230 54.000 0.279 0.000 1.524 71 D CB 2.489 43.369 40.800 0.133 0.000 1.300 71 D HN 0.107 8.579 8.370 0.171 0.000 0.241 72 N N 1.192 119.992 118.700 0.167 0.000 2.401 72 N HA 0.185 5.165 4.740 0.165 -0.142 0.255 72 N C 2.145 177.662 175.510 0.011 0.000 1.110 72 N CA -0.578 52.539 53.050 0.113 0.000 0.949 72 N CB 0.374 38.904 38.487 0.073 0.000 1.110 72 N HN -0.399 8.369 8.380 0.124 -0.314 0.490 73 I N 0.774 121.268 120.570 -0.127 0.000 3.444 73 I HA -0.101 4.078 4.170 -0.250 -0.159 0.287 73 I C -0.616 175.417 176.117 -0.140 0.000 1.302 73 I CA 1.307 62.433 61.300 -0.291 0.000 1.368 73 I CB -0.884 36.684 38.000 -0.720 0.000 1.048 73 I HN 0.348 8.500 8.210 -0.097 0.000 0.487 74 N N -2.228 116.437 118.700 -0.060 0.000 2.205 74 N HA 0.137 4.860 4.740 -0.028 0.000 0.201 74 N C -0.996 174.521 175.510 0.011 0.000 1.128 74 N CA 0.001 53.039 53.050 -0.019 0.000 0.867 74 N CB 2.125 40.610 38.487 -0.003 0.000 0.996 74 N HN -0.103 8.518 8.380 -0.038 -0.264 0.503 75 V N 0.347 120.274 119.914 0.020 0.000 2.638 75 V HA 0.052 4.189 4.120 0.029 0.000 0.306 75 V C -1.463 174.655 176.094 0.039 0.000 1.052 75 V CA -0.992 61.326 62.300 0.030 0.000 0.885 75 V CB 3.366 35.205 31.823 0.027 0.000 0.999 75 V HN -0.769 7.444 8.190 0.013 -0.015 0.424 76 V N 7.824 127.759 119.914 0.034 0.000 2.387 76 V HA -0.190 4.168 4.120 0.030 -0.220 0.260 76 V C 0.174 176.266 176.094 -0.002 0.000 1.054 76 V CA 0.730 63.038 62.300 0.012 0.000 0.967 76 V CB -0.366 31.443 31.823 -0.023 0.000 1.036 76 V HN 0.356 8.563 8.190 0.029 0.000 0.481 77 E N 8.029 128.231 120.200 0.003 0.000 2.460 77 E HA 0.116 4.467 4.350 0.003 0.000 0.200 77 E C -0.166 176.429 176.600 -0.009 0.000 1.011 77 E CA -0.376 56.026 56.400 0.004 0.000 0.912 77 E CB 0.632 30.344 29.700 0.021 0.000 0.953 77 E HN 0.438 9.255 8.360 0.011 -0.450 0.494 78 G N 0.040 108.825 108.800 -0.025 0.000 2.576 78 G HA2 -0.219 3.707 3.960 -0.057 0.000 0.686 78 G HA3 -0.219 3.727 3.960 -0.024 0.000 0.686 78 G C -1.717 173.168 174.900 -0.025 0.000 1.242 78 G CA -0.718 44.361 45.100 -0.035 0.000 0.819 78 G HN -0.441 8.060 8.290 -0.032 -0.230 0.655 79 N N -3.662 115.018 118.700 -0.034 0.000 2.962 79 N HA -0.272 4.456 4.740 -0.020 0.000 0.206 79 N C -0.903 174.594 175.510 -0.021 0.000 0.907 79 N CA 1.310 54.349 53.050 -0.018 0.000 1.029 79 N CB -0.303 38.188 38.487 0.007 0.000 1.009 79 N HN 0.163 8.514 8.380 -0.049 0.000 0.587 80 E N -0.869 119.299 120.200 -0.054 0.000 2.383 80 E HA 0.099 4.709 4.350 0.038 -0.237 0.264 80 E C -0.124 176.397 176.600 -0.132 0.000 1.050 80 E CA 0.803 57.168 56.400 -0.059 0.000 0.896 80 E CB 0.409 30.017 29.700 -0.154 0.000 0.982 80 E HN -0.189 8.026 8.360 -0.071 0.102 0.424 81 Q N 1.739 121.530 119.800 -0.015 0.000 2.274 81 Q HA 0.269 4.545 4.340 -0.106 0.000 0.268 81 Q C -1.511 174.620 176.000 0.219 0.000 1.015 81 Q CA -1.157 54.644 55.803 -0.003 0.000 0.775 81 Q CB 2.936 31.691 28.738 0.028 0.000 1.256 81 Q HN 0.227 8.561 8.270 0.106 0.000 0.442 82 F N 3.540 123.469 119.950 -0.034 0.000 2.411 82 F HA 0.463 5.139 4.527 -0.051 -0.179 0.352 82 F C -0.122 175.653 175.800 -0.042 0.000 1.123 82 F CA -2.945 55.028 58.000 -0.044 0.000 1.044 82 F CB 1.096 40.068 39.000 -0.047 0.000 1.135 82 F HN 0.371 8.691 8.300 0.033 0.000 0.461 83 I N 3.857 124.501 120.570 0.123 0.000 2.619 83 I HA 0.242 4.440 4.170 0.046 0.000 0.292 83 I C -1.302 174.813 176.117 -0.004 0.000 1.100 83 I CA -1.362 59.963 61.300 0.042 0.000 1.043 83 I CB 4.160 42.169 38.000 0.016 0.000 1.239 83 I HN 0.839 9.106 8.210 0.096 0.000 0.420 84 S N 5.688 121.379 115.700 -0.016 0.000 2.585 84 S HA 0.051 4.605 4.470 -0.047 -0.113 0.273 84 S C -0.408 174.156 174.600 -0.059 0.000 1.339 84 S CA 0.878 59.054 58.200 -0.040 0.000 1.028 84 S CB 0.906 64.084 63.200 -0.036 0.000 0.906 84 S HN 0.438 8.744 8.310 -0.007 0.000 0.528 85 A N 2.997 125.779 122.820 -0.064 0.000 2.363 85 A HA 0.162 4.519 4.320 -0.102 -0.098 0.270 85 A C -0.580 176.957 177.584 -0.079 0.000 1.121 85 A CA -0.364 51.626 52.037 -0.079 0.000 0.800 85 A CB 0.744 19.709 19.000 -0.058 0.000 1.052 85 A HN -0.166 7.948 8.150 -0.060 0.000 0.493 86 S N 3.096 118.729 115.700 -0.112 0.000 2.427 86 S HA 0.063 4.493 4.470 -0.067 0.000 0.224 86 S C 0.473 175.033 174.600 -0.067 0.000 1.047 86 S CA 1.226 59.370 58.200 -0.094 0.000 0.953 86 S CB 1.005 64.127 63.200 -0.129 0.000 0.824 86 S HN 0.876 8.975 8.310 -0.159 0.116 0.502 87 K N -0.078 120.272 120.400 -0.083 0.000 2.551 87 K HA 0.284 4.621 4.320 0.029 0.000 0.269 87 K C -2.369 174.251 176.600 0.033 0.000 0.949 87 K CA -0.620 55.663 56.287 -0.006 0.000 0.849 87 K CB 3.470 35.974 32.500 0.006 0.000 1.411 87 K HN -0.729 7.434 8.250 -0.146 0.000 0.432 88 S N 1.140 116.917 115.700 0.129 0.000 2.500 88 S HA 0.727 5.460 4.470 0.164 -0.164 0.301 88 S C -0.918 173.801 174.600 0.197 0.000 1.092 88 S CA -0.492 57.827 58.200 0.198 0.000 1.030 88 S CB 2.697 66.088 63.200 0.318 0.000 1.031 88 S HN 0.159 8.560 8.310 0.152 0.000 0.483 89 I N 7.258 127.955 120.570 0.213 0.000 2.420 89 I HA 0.130 4.382 4.170 0.137 0.000 0.282 89 I C -1.640 174.612 176.117 0.225 0.000 1.019 89 I CA -0.814 60.604 61.300 0.198 0.000 1.130 89 I CB 1.774 39.907 38.000 0.221 0.000 1.262 89 I HN 1.098 9.344 8.210 0.242 0.109 0.454 90 V N 7.778 127.758 119.914 0.110 0.000 2.649 90 V HA -0.140 4.023 4.120 0.072 0.000 0.292 90 V C -0.291 175.888 176.094 0.142 0.000 1.055 90 V CA -0.607 61.728 62.300 0.060 0.000 1.023 90 V CB 0.913 32.675 31.823 -0.102 0.000 0.992 90 V HN 0.371 8.579 8.190 0.029 0.000 0.480 91 H N 8.599 127.656 119.070 -0.021 0.000 3.034 91 H HA -0.050 4.377 4.556 -0.215 0.000 0.324 91 H C -0.291 175.017 175.328 -0.033 0.000 1.015 91 H CA 0.247 56.163 56.048 -0.219 0.000 1.429 91 H CB 1.525 30.973 29.762 -0.524 0.000 1.429 91 H HN -0.189 8.133 8.280 0.069 0.000 0.585 92 P HA -0.108 4.333 4.420 0.035 0.000 0.219 92 P C -0.434 176.926 177.300 0.100 0.000 1.146 92 P CA 1.471 64.563 63.100 -0.014 0.000 0.808 92 P CB 0.296 31.965 31.700 -0.052 0.000 0.779 93 S N -3.821 112.047 115.700 0.279 0.000 2.582 93 S HA 0.044 4.578 4.470 0.108 0.000 0.234 93 S C -0.556 174.143 174.600 0.164 0.000 0.961 93 S CA 0.003 58.329 58.200 0.211 0.000 0.953 93 S CB 0.504 63.822 63.200 0.196 0.000 0.800 93 S HN -0.401 8.195 8.310 0.540 0.039 0.471 94 Y N 3.723 124.067 120.300 0.073 0.000 2.620 94 Y HA -0.328 4.369 4.550 -0.054 -0.180 0.330 94 Y C -0.913 174.979 175.900 -0.015 0.000 1.186 94 Y CA 0.828 58.924 58.100 -0.006 0.000 1.467 94 Y CB 0.759 39.222 38.460 0.006 0.000 1.262 94 Y HN -0.705 7.608 8.280 0.344 0.174 0.550 95 N N 7.461 125.804 118.700 -0.594 0.000 2.479 95 N HA 0.211 4.669 4.740 -0.471 0.000 0.261 95 N C -0.237 174.732 175.510 -0.900 0.000 0.979 95 N CA -1.263 51.441 53.050 -0.576 0.000 0.930 95 N CB 1.691 40.008 38.487 -0.284 0.000 1.172 95 N HN -0.109 8.046 8.380 -0.376 0.000 0.499 96 S N 6.394 121.560 115.700 -0.890 0.000 2.515 96 S HA -0.089 3.984 4.470 -0.662 0.000 0.231 96 S C 0.722 175.137 174.600 -0.309 0.000 0.987 96 S CA 2.175 60.030 58.200 -0.575 0.000 0.936 96 S CB -0.159 62.897 63.200 -0.241 0.000 0.766 96 S HN 0.628 8.520 8.310 -0.697 0.000 0.528 97 N N 1.938 120.462 118.700 -0.294 0.000 2.387 97 N HA 0.053 4.670 4.740 -0.205 0.000 0.176 97 N C 1.033 176.381 175.510 -0.270 0.000 1.022 97 N CA 2.269 55.182 53.050 -0.229 0.000 0.883 97 N CB 0.780 39.161 38.487 -0.177 0.000 1.019 97 N HN 0.276 8.699 8.380 -0.324 -0.238 0.435 98 T N -4.176 110.215 114.554 -0.273 0.000 3.022 98 T HA 0.099 4.249 4.350 -0.333 0.000 0.250 98 T C 0.163 174.679 174.700 -0.307 0.000 1.060 98 T CA 0.230 62.161 62.100 -0.281 0.000 1.013 98 T CB 1.619 70.379 68.868 -0.180 0.000 0.982 98 T HN -0.331 8.041 8.240 -0.273 -0.295 0.508 99 L N -3.407 117.662 121.223 -0.257 0.000 4.232 99 L HA -0.521 3.926 4.340 0.048 -0.078 0.415 99 L C -1.786 175.117 176.870 0.055 0.000 1.168 99 L CA 0.513 55.310 54.840 -0.071 0.000 0.966 99 L CB -2.627 39.327 42.059 -0.174 0.000 2.052 99 L HN -0.102 7.898 8.230 -0.301 0.049 0.887 100 N N -1.030 117.658 118.700 -0.020 0.000 2.518 100 N HA -0.159 4.631 4.740 0.083 0.000 0.266 100 N C 0.034 175.584 175.510 0.068 0.000 1.196 100 N CA 0.678 53.749 53.050 0.035 0.000 0.947 100 N CB 1.148 39.629 38.487 -0.011 0.000 1.098 100 N HN -0.722 7.537 8.380 -0.114 0.052 0.450 101 N N -0.952 117.782 118.700 0.055 0.000 2.756 101 N HA -0.470 4.182 4.740 -0.147 0.000 0.248 101 N C -1.410 174.070 175.510 -0.050 0.000 1.062 101 N CA 1.389 54.370 53.050 -0.115 0.000 0.696 101 N CB -1.582 36.712 38.487 -0.323 0.000 0.946 101 N HN 0.639 9.077 8.380 0.096 0.000 0.548 102 D N -1.007 119.413 120.400 0.032 0.000 2.551 102 D HA 0.055 4.690 4.640 -0.009 0.000 0.223 102 D C -1.678 174.531 176.300 -0.152 0.000 1.144 102 D CA -0.334 53.682 54.000 0.026 0.000 1.025 102 D CB -0.722 40.194 40.800 0.193 0.000 1.085 102 D HN -0.192 8.212 8.370 0.056 0.000 0.506 103 I N 2.440 122.857 120.570 -0.255 0.000 2.827 103 I HA 0.556 4.818 4.170 -0.133 -0.172 0.298 103 I C -3.101 172.969 176.117 -0.079 0.000 1.235 103 I CA -1.366 59.810 61.300 -0.206 0.000 1.021 103 I CB 4.150 41.898 38.000 -0.420 0.000 1.259 103 I HN -0.114 7.896 8.210 -0.269 0.038 0.427 104 M N 6.418 126.043 119.600 0.041 0.000 2.470 104 M HA 0.702 5.481 4.480 0.236 -0.157 0.285 104 M C -2.814 173.617 176.300 0.219 0.000 1.213 104 M CA -1.025 54.366 55.300 0.151 0.000 0.901 104 M CB 4.857 37.500 32.600 0.071 0.000 1.718 104 M HN 0.551 8.860 8.290 0.031 0.000 0.469 105 L N 3.090 124.485 121.223 0.285 0.000 2.334 105 L HA 0.847 5.519 4.340 0.274 -0.167 0.276 105 L C -1.290 175.774 176.870 0.325 0.000 1.014 105 L CA -1.451 53.575 54.840 0.309 0.000 0.815 105 L CB 3.066 45.294 42.059 0.281 0.000 1.268 105 L HN 0.639 8.959 8.230 0.321 0.103 0.428 106 I N 0.907 121.649 120.570 0.288 0.000 2.436 106 I HA 0.570 4.967 4.170 0.089 -0.173 0.289 106 I C -1.631 174.421 176.117 -0.109 0.000 1.010 106 I CA -1.378 59.981 61.300 0.100 0.000 1.098 106 I CB 3.105 41.135 38.000 0.050 0.000 1.266 106 I HN 1.010 9.414 8.210 0.323 0.000 0.434 107 K N 6.740 126.879 120.400 -0.436 0.000 2.185 107 K HA 0.665 4.318 4.320 -1.391 -0.167 0.269 107 K C -1.087 175.223 176.600 -0.484 0.000 0.987 107 K CA -1.873 53.815 56.287 -0.998 0.000 0.865 107 K CB 2.936 34.698 32.500 -1.231 0.000 1.090 107 K HN 0.701 8.790 8.250 -0.268 0.000 0.450 108 L N 4.937 125.904 121.223 -0.428 0.000 2.395 108 L HA 0.212 4.564 4.340 -0.171 -0.116 0.269 108 L C 1.794 178.545 176.870 -0.198 0.000 1.133 108 L CA 0.005 54.710 54.840 -0.225 0.000 0.812 108 L CB 0.421 42.390 42.059 -0.150 0.000 1.125 108 L HN 0.820 8.611 8.230 -0.556 0.106 0.452 109 K N 2.967 123.291 120.400 -0.126 0.000 2.057 109 K HA -0.325 3.932 4.320 -0.105 0.000 0.207 109 K C -0.565 175.988 176.600 -0.080 0.000 1.049 109 K CA 2.650 58.881 56.287 -0.094 0.000 0.931 109 K CB 0.471 32.934 32.500 -0.061 0.000 0.714 109 K HN 0.581 8.769 8.250 -0.104 0.000 0.440 110 S N -2.985 112.675 115.700 -0.067 0.000 2.599 110 S HA 0.116 4.557 4.470 -0.049 0.000 0.287 110 S C -1.571 173.001 174.600 -0.047 0.000 1.105 110 S CA -0.848 57.323 58.200 -0.048 0.000 0.899 110 S CB 2.791 65.975 63.200 -0.028 0.000 1.100 110 S HN -0.553 7.719 8.310 -0.063 0.000 0.482 111 A N 0.101 122.902 122.820 -0.032 0.000 2.386 111 A HA -0.029 4.409 4.320 -0.030 -0.135 0.248 111 A C -0.516 177.065 177.584 -0.004 0.000 1.082 111 A CA -0.133 51.893 52.037 -0.018 0.000 0.789 111 A CB 0.747 19.747 19.000 0.000 0.000 1.025 111 A HN 0.135 8.270 8.150 -0.025 0.000 0.490 112 A N 0.792 123.617 122.820 0.008 0.000 2.304 112 A HA 0.196 4.596 4.320 0.012 -0.073 0.271 112 A C -0.530 177.066 177.584 0.020 0.000 1.091 112 A CA -1.250 50.798 52.037 0.018 0.000 0.812 112 A CB 1.410 20.429 19.000 0.032 0.000 1.056 112 A HN 0.491 8.533 8.150 0.011 0.115 0.489 113 S N 0.421 116.131 115.700 0.018 0.000 2.422 113 S HA 0.124 4.604 4.470 0.017 0.000 0.298 113 S C -0.609 174.006 174.600 0.025 0.000 1.118 113 S CA -0.516 57.694 58.200 0.016 0.000 1.083 113 S CB 0.651 63.856 63.200 0.007 0.000 0.971 113 S HN -0.022 8.626 8.310 0.015 -0.329 0.478 114 L N 5.888 127.129 121.223 0.030 0.000 2.357 114 L HA 0.267 4.763 4.340 0.042 -0.130 0.273 114 L C -0.552 176.337 176.870 0.031 0.000 1.080 114 L CA -0.381 54.481 54.840 0.037 0.000 0.803 114 L CB 0.725 42.810 42.059 0.045 0.000 1.174 114 L HN 0.233 8.479 8.230 0.028 0.000 0.443 115 N N 3.386 122.106 118.700 0.033 0.000 3.635 115 N HA 0.184 4.939 4.740 0.026 0.000 0.347 115 N C -1.244 174.285 175.510 0.033 0.000 1.596 115 N CA -0.559 52.507 53.050 0.028 0.000 0.778 115 N CB 1.063 39.562 38.487 0.020 0.000 2.436 115 N HN 0.661 8.953 8.380 0.040 0.112 0.569 116 S N -1.636 114.080 115.700 0.028 0.000 2.414 116 S HA -0.174 4.318 4.470 0.036 0.000 0.227 116 S C 0.573 175.191 174.600 0.030 0.000 1.022 116 S CA 2.447 60.665 58.200 0.030 0.000 0.958 116 S CB 0.189 63.403 63.200 0.023 0.000 0.797 116 S HN 0.061 8.384 8.310 0.023 0.000 0.493 117 R N -0.531 119.985 120.500 0.026 0.000 2.210 117 R HA -0.005 4.346 4.340 0.018 0.000 0.203 117 R C -1.408 174.910 176.300 0.030 0.000 1.010 117 R CA 1.024 57.137 56.100 0.023 0.000 1.008 117 R CB 1.099 31.411 30.300 0.020 0.000 0.923 117 R HN -0.230 8.282 8.270 0.024 -0.228 0.469 118 V N -1.793 118.144 119.914 0.039 0.000 2.482 118 V HA 0.273 4.619 4.120 0.054 -0.194 0.295 118 V C -2.181 173.953 176.094 0.067 0.000 1.026 118 V CA -1.169 61.163 62.300 0.053 0.000 0.856 118 V CB 2.953 34.804 31.823 0.048 0.000 1.001 118 V HN -0.515 7.864 8.190 0.037 -0.167 0.424 119 A N 6.424 129.301 122.820 0.094 0.000 2.606 119 A HA 0.564 4.936 4.320 0.087 0.000 0.293 119 A C -3.125 174.552 177.584 0.156 0.000 1.082 119 A CA -1.095 51.008 52.037 0.110 0.000 0.685 119 A CB 2.879 21.945 19.000 0.110 0.000 1.284 119 A HN 0.115 8.217 8.150 0.103 0.110 0.408 120 S N -1.446 114.329 115.700 0.124 0.000 2.693 120 S HA 0.564 5.273 4.470 0.162 -0.142 0.276 120 S C -0.619 174.030 174.600 0.081 0.000 1.192 120 S CA -0.943 57.330 58.200 0.122 0.000 0.994 120 S CB 1.639 64.891 63.200 0.088 0.000 1.012 120 S HN -0.001 8.367 8.310 0.096 0.000 0.550 121 I N 0.440 121.012 120.570 0.003 0.000 2.648 121 I HA 0.231 4.322 4.170 -0.132 0.000 0.304 121 I C -1.100 174.965 176.117 -0.087 0.000 1.009 121 I CA -1.592 59.613 61.300 -0.159 0.000 1.114 121 I CB 4.062 41.745 38.000 -0.529 0.000 1.293 121 I HN 0.277 8.507 8.210 0.033 0.000 0.449 122 S N 6.044 121.692 115.700 -0.087 0.000 2.584 122 S HA 0.227 4.681 4.470 -0.027 0.000 0.273 122 S C -0.710 173.863 174.600 -0.045 0.000 1.311 122 S CA -0.246 57.926 58.200 -0.047 0.000 1.034 122 S CB 0.845 64.023 63.200 -0.037 0.000 0.939 122 S HN 0.226 8.470 8.310 -0.110 0.000 0.513 123 L N 2.623 123.835 121.223 -0.019 0.000 2.418 123 L HA 0.166 4.508 4.340 0.003 0.000 0.265 123 L C -1.149 175.719 176.870 -0.003 0.000 1.143 123 L CA -1.986 52.854 54.840 0.000 0.000 0.809 123 L CB 0.213 42.281 42.059 0.015 0.000 1.124 123 L HN 0.214 8.435 8.230 -0.015 0.000 0.456 124 P HA 0.096 4.507 4.420 -0.015 0.000 0.276 124 P C -1.212 176.089 177.300 0.001 0.000 1.252 124 P CA -0.571 62.527 63.100 -0.003 0.000 0.802 124 P CB 0.697 32.395 31.700 -0.003 0.000 1.035 128 c N 0.749 119.323 118.600 -0.042 0.000 2.595 128 c HA 0.040 4.572 4.570 -0.064 0.000 0.384 128 c C 0.094 174.125 174.090 -0.098 0.000 1.289 128 c CA -0.638 55.650 56.329 -0.067 0.000 2.372 128 c CB 0.323 42.796 42.510 -0.061 0.000 2.593 128 c HN -0.019 8.189 8.230 -0.036 0.000 0.639 129 A N 1.206 123.931 122.820 -0.158 0.000 2.293 129 A HA 0.087 4.334 4.320 -0.123 0.000 0.302 129 A C -0.791 176.687 177.584 -0.176 0.000 1.119 129 A CA -0.359 51.575 52.037 -0.172 0.000 0.823 129 A CB 1.158 20.020 19.000 -0.230 0.000 1.097 129 A HN 0.226 8.257 8.150 -0.199 0.000 0.491 133 G N 1.384 110.144 108.800 -0.067 0.000 2.217 133 G HA2 -0.321 3.605 3.960 -0.057 0.000 0.246 133 G HA3 -0.321 3.611 3.960 -0.047 0.000 0.246 133 G C -0.003 174.858 174.900 -0.065 0.000 0.990 133 G CA 0.074 45.139 45.100 -0.058 0.000 0.627 133 G HN 0.804 8.937 8.290 -0.071 0.114 0.522 134 T N 3.274 117.778 114.554 -0.084 0.000 2.902 134 T HA -0.186 4.126 4.350 -0.064 0.000 0.301 134 T C -1.108 173.547 174.700 -0.076 0.000 1.012 134 T CA 2.463 64.513 62.100 -0.083 0.000 1.151 134 T CB 0.708 69.507 68.868 -0.115 0.000 0.946 134 T HN -0.576 7.524 8.240 -0.099 0.081 0.542 135 Q N 6.086 125.856 119.800 -0.050 0.000 2.256 135 Q HA 0.211 4.650 4.340 -0.042 -0.124 0.254 135 Q C -0.845 175.138 176.000 -0.028 0.000 0.916 135 Q CA 0.263 56.047 55.803 -0.032 0.000 0.932 135 Q CB 1.485 30.220 28.738 -0.005 0.000 1.207 135 Q HN 0.188 8.432 8.270 -0.043 0.000 0.426 136 c N 3.582 122.168 118.600 -0.025 0.000 2.971 136 c HA 0.656 5.339 4.570 -0.012 -0.120 0.310 136 c C -1.868 172.231 174.090 0.014 0.000 1.285 136 c CA -1.660 54.659 56.329 -0.018 0.000 1.593 136 c CB 4.156 46.637 42.510 -0.049 0.000 2.076 136 c HN 0.906 9.008 8.230 -0.027 0.112 0.472 137 L N 0.995 122.235 121.223 0.029 0.000 2.313 137 L HA 0.857 5.411 4.340 0.061 -0.176 0.283 137 L C -2.211 174.679 176.870 0.033 0.000 1.013 137 L CA -1.405 53.467 54.840 0.053 0.000 0.816 137 L CB 3.136 45.248 42.059 0.089 0.000 1.236 137 L HN 0.879 9.008 8.230 0.023 0.114 0.419 138 I N 7.603 128.177 120.570 0.007 0.000 2.474 138 I HA 0.886 5.310 4.170 0.018 -0.243 0.294 138 I C -1.324 174.765 176.117 -0.047 0.000 1.005 138 I CA -1.516 59.783 61.300 -0.002 0.000 1.113 138 I CB 2.445 40.446 38.000 0.002 0.000 1.289 138 I HN 0.830 9.048 8.210 0.012 0.000 0.436 139 S N 2.933 118.597 115.700 -0.059 0.000 2.588 139 S HA 1.054 5.561 4.470 -0.225 -0.171 0.275 139 S C -1.123 173.361 174.600 -0.194 0.000 1.130 139 S CA -1.794 56.295 58.200 -0.184 0.000 0.855 139 S CB 3.761 66.814 63.200 -0.246 0.000 1.116 139 S HN -0.208 8.099 8.310 -0.005 0.000 0.472 140 G N -1.085 107.506 108.800 -0.348 0.000 2.321 140 G HA2 0.143 3.858 3.960 -0.408 0.000 0.298 140 G HA3 0.143 4.201 3.960 -0.055 -0.131 0.298 140 G C -2.382 172.301 174.900 -0.361 0.000 1.385 140 G CA 0.563 45.483 45.100 -0.299 0.000 0.856 140 G HN 0.400 8.426 8.290 -0.440 0.000 0.584 141 W N 1.050 122.292 121.300 -0.097 0.000 3.015 141 W HA 0.384 4.987 4.660 -0.095 0.000 0.429 141 W C -0.284 176.267 176.519 0.054 0.000 0.976 141 W CA -1.018 56.234 57.345 -0.155 0.000 2.086 141 W CB 0.102 29.239 29.460 -0.539 0.000 1.125 141 W HN 0.574 8.922 8.180 0.280 0.000 0.721 142 G N 0.759 109.729 108.800 0.283 0.000 2.588 142 G HA2 -0.009 4.297 3.960 0.567 0.000 0.281 142 G HA3 -0.009 4.288 3.960 0.277 -0.171 0.281 142 G C -0.987 174.005 174.900 0.154 0.000 1.236 142 G CA -0.860 44.445 45.100 0.342 0.000 0.969 142 G HN -0.411 8.148 8.290 0.174 -0.164 0.504 143 N N -0.378 118.302 118.700 -0.033 0.000 2.293 143 N HA -0.301 4.204 4.740 -0.709 -0.190 0.253 143 N C 0.874 176.296 175.510 -0.148 0.000 1.248 143 N CA 1.143 53.974 53.050 -0.365 0.000 0.845 143 N CB 0.537 38.799 38.487 -0.374 0.000 1.073 143 N HN 0.128 8.582 8.380 0.123 0.000 0.464 144 T N 0.652 115.115 114.554 -0.151 0.000 3.054 144 T HA 0.180 4.630 4.350 -0.049 -0.129 0.255 144 T C 0.215 174.877 174.700 -0.064 0.000 1.035 144 T CA 0.412 62.469 62.100 -0.072 0.000 0.941 144 T CB 1.282 70.121 68.868 -0.047 0.000 1.026 144 T HN 0.394 8.505 8.240 -0.215 0.000 0.533 145 K N 2.461 122.808 120.400 -0.088 0.000 2.270 145 K HA 0.279 4.576 4.320 -0.038 0.000 0.255 145 K C -0.519 176.056 176.600 -0.042 0.000 0.936 145 K CA -1.153 55.100 56.287 -0.057 0.000 0.809 145 K CB 2.509 34.973 32.500 -0.061 0.000 1.131 145 K HN -0.552 7.866 8.250 -0.141 -0.253 0.427 146 S N 0.920 116.609 115.700 -0.019 0.000 2.446 146 S HA -0.105 4.366 4.470 0.002 0.000 0.225 146 S C 0.053 174.654 174.600 0.001 0.000 1.016 146 S CA 1.907 60.106 58.200 -0.001 0.000 0.943 146 S CB 0.823 64.028 63.200 0.008 0.000 0.786 146 S HN 0.148 8.449 8.310 -0.016 0.000 0.508 147 S N 1.535 117.232 115.700 -0.005 0.000 2.150 147 S HA 0.195 4.668 4.470 0.005 0.000 0.171 147 S C -0.855 173.741 174.600 -0.007 0.000 1.620 147 S CA -0.214 57.985 58.200 -0.001 0.000 1.190 147 S CB -0.491 62.710 63.200 0.002 0.000 1.102 147 S HN -0.454 7.823 8.310 -0.010 0.028 0.464 148 G N 0.991 109.785 108.800 -0.011 0.000 2.355 148 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.619 148 G HA3 -0.171 3.781 3.960 -0.013 0.000 0.619 148 G C -2.701 172.171 174.900 -0.047 0.000 1.337 148 G CA -0.726 44.365 45.100 -0.015 0.000 0.993 148 G HN -0.428 7.857 8.290 -0.009 0.000 0.599 149 T N -3.636 110.889 114.554 -0.047 0.000 2.807 149 T HA 0.144 4.542 4.350 -0.241 -0.193 0.279 149 T C -1.215 173.405 174.700 -0.134 0.000 0.993 149 T CA -1.974 60.044 62.100 -0.135 0.000 0.970 149 T CB 2.088 70.952 68.868 -0.006 0.000 0.950 149 T HN -0.202 8.030 8.240 -0.013 0.000 0.441 150 S N 4.071 119.612 115.700 -0.265 0.000 2.750 150 S HA 0.233 4.697 4.470 -0.010 0.000 0.276 150 S C -2.207 172.261 174.600 -0.221 0.000 1.165 150 S CA -0.450 57.680 58.200 -0.117 0.000 1.047 150 S CB 1.246 64.406 63.200 -0.067 0.000 1.056 150 S HN 0.689 9.125 8.310 -0.441 -0.391 0.481 151 Y N 5.692 126.029 120.300 0.062 0.000 2.360 151 Y HA 0.246 4.850 4.550 0.090 0.000 0.337 151 Y C -1.007 174.939 175.900 0.077 0.000 1.039 151 Y CA -2.801 55.348 58.100 0.082 0.000 1.109 151 Y CB 1.337 39.855 38.460 0.097 0.000 1.201 151 Y HN 0.124 8.545 8.280 0.234 0.000 0.458 152 P HA 0.306 4.807 4.420 0.134 0.000 0.281 152 P C -1.628 175.800 177.300 0.214 0.000 1.264 152 P CA -1.145 62.061 63.100 0.177 0.000 0.824 152 P CB 2.015 33.790 31.700 0.126 0.000 1.092 153 D N -2.341 118.159 120.400 0.168 0.000 2.262 153 D HA -0.040 4.667 4.640 0.112 0.000 0.212 153 D C -0.613 175.836 176.300 0.250 0.000 0.964 153 D CA 1.789 55.878 54.000 0.149 0.000 0.875 153 D CB 0.815 41.671 40.800 0.094 0.000 0.996 153 D HN 0.399 8.848 8.370 0.132 0.000 0.497 154 V N -7.874 112.180 119.914 0.233 0.000 2.966 154 V HA 0.564 5.166 4.120 0.401 -0.242 0.317 154 V C -0.777 175.370 176.094 0.090 0.000 1.070 154 V CA -2.758 59.691 62.300 0.249 0.000 1.008 154 V CB 1.969 33.857 31.823 0.107 0.000 1.070 154 V HN -0.928 7.358 8.190 0.159 0.000 0.457 155 L N 1.492 122.643 121.223 -0.120 0.000 2.455 155 L HA -0.028 3.485 4.340 -1.378 0.000 0.272 155 L C -0.294 176.311 176.870 -0.441 0.000 1.174 155 L CA 0.672 55.079 54.840 -0.722 0.000 0.869 155 L CB 0.654 42.263 42.059 -0.750 0.000 1.130 155 L HN -0.130 8.321 8.230 0.074 -0.177 0.474 156 K N 5.590 125.703 120.400 -0.477 0.000 2.203 156 K HA 0.703 4.984 4.320 -0.345 -0.169 0.251 156 K C -1.161 175.179 176.600 -0.432 0.000 0.944 156 K CA -2.587 53.481 56.287 -0.365 0.000 0.829 156 K CB 2.402 34.757 32.500 -0.242 0.000 1.125 156 K HN -0.182 7.701 8.250 -0.612 0.000 0.430 157 c N -0.298 117.950 118.600 -0.588 0.000 2.707 157 c HA 0.969 5.478 4.570 -0.397 -0.177 0.313 157 c C -1.787 171.946 174.090 -0.595 0.000 1.209 157 c CA -0.734 55.201 56.329 -0.657 0.000 1.635 157 c CB 3.522 45.474 42.510 -0.930 0.000 2.206 157 c HN 0.812 8.524 8.230 -0.689 0.105 0.485 158 L N 0.548 121.636 121.223 -0.224 0.000 2.493 158 L HA 0.391 4.794 4.340 0.107 0.000 0.265 158 L C -2.456 174.493 176.870 0.132 0.000 0.954 158 L CA 0.051 54.906 54.840 0.025 0.000 0.844 158 L CB 4.450 46.535 42.059 0.044 0.000 1.302 158 L HN 0.861 8.990 8.230 -0.169 0.000 0.405 159 K N 6.107 126.648 120.400 0.233 0.000 2.183 159 K HA 0.828 5.432 4.320 0.134 -0.204 0.274 159 K C -0.944 175.788 176.600 0.220 0.000 1.009 159 K CA -1.395 55.006 56.287 0.189 0.000 0.888 159 K CB 1.159 33.771 32.500 0.186 0.000 1.078 159 K HN 0.328 8.754 8.250 0.293 0.000 0.459 160 A N 3.885 126.769 122.820 0.107 0.000 2.549 160 A HA 0.648 4.971 4.320 0.005 0.000 0.297 160 A C -3.431 174.091 177.584 -0.104 0.000 1.061 160 A CA -2.625 49.409 52.037 -0.005 0.000 0.690 160 A CB 3.140 22.135 19.000 -0.008 0.000 1.287 160 A HN 1.018 9.096 8.150 0.057 0.106 0.402 161 P HA 0.736 5.310 4.420 -0.101 -0.216 0.284 161 P C -1.093 176.136 177.300 -0.119 0.000 1.258 161 P CA -1.509 61.502 63.100 -0.148 0.000 0.824 161 P CB 1.573 33.183 31.700 -0.151 0.000 1.038 162 I N 0.188 120.704 120.570 -0.090 0.000 2.441 162 I HA -0.016 4.304 4.170 0.058 -0.116 0.287 162 I C 0.151 176.249 176.117 -0.033 0.000 1.049 162 I CA 0.382 61.654 61.300 -0.048 0.000 1.381 162 I CB 0.335 38.221 38.000 -0.188 0.000 1.409 162 I HN 0.177 8.325 8.210 -0.104 0.000 0.523 163 L N 6.805 128.046 121.223 0.029 0.000 2.431 163 L HA 0.237 4.566 4.340 -0.019 0.000 0.260 163 L C -0.310 176.575 176.870 0.024 0.000 1.098 163 L CA -0.920 53.928 54.840 0.013 0.000 0.800 163 L CB 0.771 42.849 42.059 0.032 0.000 1.210 163 L HN 0.411 8.594 8.230 0.107 0.111 0.465 164 S N -1.155 114.552 115.700 0.013 0.000 2.592 164 S HA -0.001 4.473 4.470 0.005 0.000 0.271 164 S C 0.377 175.000 174.600 0.038 0.000 1.326 164 S CA -0.578 57.631 58.200 0.015 0.000 1.024 164 S CB 1.382 64.585 63.200 0.006 0.000 0.921 164 S HN -0.037 8.276 8.310 0.006 0.000 0.527 165 D N 1.964 122.387 120.400 0.039 0.000 2.178 165 D HA -0.239 4.449 4.640 0.079 0.000 0.201 165 D C 1.500 177.830 176.300 0.050 0.000 0.980 165 D CA 3.599 57.633 54.000 0.056 0.000 0.842 165 D CB -0.427 40.401 40.800 0.048 0.000 0.948 165 D HN 0.597 8.983 8.370 0.025 0.000 0.472 166 S N -1.481 114.239 115.700 0.034 0.000 2.383 166 S HA -0.198 4.291 4.470 0.033 0.000 0.227 166 S C 2.170 176.787 174.600 0.027 0.000 1.026 166 S CA 3.291 61.508 58.200 0.029 0.000 0.981 166 S CB -0.765 62.446 63.200 0.018 0.000 0.818 166 S HN 0.008 8.323 8.310 0.026 0.011 0.472 167 S N 3.887 119.601 115.700 0.024 0.000 2.383 167 S HA -0.229 4.244 4.470 0.006 0.000 0.227 167 S C 1.867 176.483 174.600 0.026 0.000 1.026 167 S CA 4.167 62.377 58.200 0.016 0.000 0.981 167 S CB -0.121 63.086 63.200 0.011 0.000 0.818 167 S HN -0.569 7.674 8.310 0.024 0.081 0.472 168 c N 3.419 122.054 118.600 0.058 0.000 2.436 168 c HA -0.314 4.321 4.570 0.109 0.000 0.277 168 c C 1.778 175.944 174.090 0.126 0.000 1.241 168 c CA 2.803 59.195 56.329 0.105 0.000 1.721 168 c CB -1.686 40.897 42.510 0.122 0.000 2.043 168 c HN 0.092 8.357 8.230 0.058 0.000 0.472 169 K N -1.250 119.211 120.400 0.101 0.000 2.211 169 K HA -0.308 4.103 4.320 0.151 0.000 0.203 169 K C 2.380 179.021 176.600 0.069 0.000 1.050 169 K CA 2.833 59.182 56.287 0.104 0.000 0.945 169 K CB -0.307 32.241 32.500 0.079 0.000 0.732 169 K HN -0.010 8.290 8.250 0.083 0.000 0.451 170 S N -1.044 114.676 115.700 0.032 0.000 2.387 170 S HA -0.206 4.270 4.470 0.010 0.000 0.226 170 S C 1.367 175.941 174.600 -0.044 0.000 1.026 170 S CA 2.615 60.816 58.200 0.000 0.000 0.972 170 S CB 0.036 63.232 63.200 -0.007 0.000 0.814 170 S HN -0.445 7.769 8.310 0.034 0.116 0.477 171 A N -0.296 122.467 122.820 -0.094 0.000 1.929 171 A HA -0.099 4.064 4.320 -0.262 0.000 0.216 171 A C -0.260 177.047 177.584 -0.460 0.000 1.176 171 A CA 2.001 53.852 52.037 -0.310 0.000 0.628 171 A CB 0.936 19.679 19.000 -0.428 0.000 0.816 171 A HN -0.529 7.490 8.150 -0.045 0.104 0.444 172 Y N -5.642 114.691 120.300 0.054 0.000 2.495 172 Y HA 0.492 5.111 4.550 0.115 0.000 0.362 172 Y C -2.412 173.547 175.900 0.099 0.000 0.956 172 Y CA -3.668 54.496 58.100 0.107 0.000 1.127 172 Y CB -0.252 38.306 38.460 0.163 0.000 1.173 172 Y HN -0.410 7.912 8.280 0.071 0.000 0.639 173 P HA -0.101 4.507 4.420 0.109 -0.123 0.264 173 P C 0.914 178.287 177.300 0.122 0.000 1.193 173 P CA 1.113 64.281 63.100 0.114 0.000 0.763 173 P CB 0.120 31.858 31.700 0.065 0.000 0.810 174 G N 3.754 112.615 108.800 0.101 0.000 2.196 174 G HA2 -0.376 3.622 3.960 0.063 0.000 0.268 174 G HA3 -0.376 3.621 3.960 0.062 0.000 0.268 174 G C 0.180 175.134 174.900 0.091 0.000 0.975 174 G CA 0.751 45.898 45.100 0.079 0.000 0.648 174 G HN 0.507 8.854 8.290 0.094 0.000 0.538 175 Q N -2.230 117.663 119.800 0.155 0.000 2.217 175 Q HA 0.082 4.464 4.340 0.070 0.000 0.217 175 Q C -0.605 175.531 176.000 0.227 0.000 0.844 175 Q CA -0.425 55.475 55.803 0.162 0.000 0.957 175 Q CB 1.391 30.264 28.738 0.224 0.000 1.127 175 Q HN -0.197 8.121 8.270 0.200 0.071 0.503 176 I N 0.231 120.924 120.570 0.204 0.000 2.336 176 I HA 0.057 4.364 4.170 0.229 0.000 0.292 176 I C -0.397 175.796 176.117 0.126 0.000 0.991 176 I CA -2.255 59.154 61.300 0.183 0.000 1.227 176 I CB -0.629 37.468 38.000 0.162 0.000 1.366 176 I HN -0.466 7.852 8.210 0.180 0.000 0.466 177 T N 2.348 116.973 114.554 0.118 0.000 2.910 177 T HA 0.388 4.779 4.350 0.067 0.000 0.279 177 T C 0.863 175.612 174.700 0.082 0.000 0.989 177 T CA -2.096 60.053 62.100 0.081 0.000 0.968 177 T CB 2.299 71.206 68.868 0.066 0.000 1.135 177 T HN -0.386 7.940 8.240 0.144 0.000 0.562 178 S N -2.053 113.681 115.700 0.057 0.000 2.555 178 S HA -0.167 4.340 4.470 0.062 0.000 0.230 178 S C 0.260 174.898 174.600 0.063 0.000 0.978 178 S CA 1.915 60.145 58.200 0.050 0.000 0.934 178 S CB -0.174 63.036 63.200 0.017 0.000 0.766 178 S HN 0.255 8.589 8.310 0.040 0.000 0.533 179 N N -0.052 118.698 118.700 0.083 0.000 2.251 179 N HA 0.183 4.986 4.740 0.105 0.000 0.217 179 N C -1.750 173.876 175.510 0.194 0.000 1.124 179 N CA -0.152 52.979 53.050 0.135 0.000 0.843 179 N CB 0.854 39.441 38.487 0.166 0.000 1.024 179 N HN -0.586 7.762 8.380 0.080 0.079 0.501 180 M N -1.235 118.465 119.600 0.166 0.000 2.658 180 M HA 0.892 5.647 4.480 0.084 -0.225 0.295 180 M C -2.366 174.052 176.300 0.197 0.000 1.248 180 M CA -0.416 54.957 55.300 0.122 0.000 0.843 180 M CB 5.243 37.891 32.600 0.078 0.000 1.749 180 M HN -0.734 7.558 8.290 0.148 0.087 0.464 181 F N -6.422 113.568 119.950 0.067 0.000 2.668 181 F HA 0.602 5.157 4.527 0.046 0.000 0.309 181 F C -2.899 172.952 175.800 0.085 0.000 1.117 181 F CA -1.582 56.457 58.000 0.064 0.000 0.951 181 F CB 2.287 41.325 39.000 0.063 0.000 1.323 181 F HN 0.174 8.339 8.300 -0.225 0.000 0.451 182 c N -0.065 118.716 118.600 0.302 0.000 2.391 182 c HA 0.992 5.828 4.570 0.099 -0.206 0.339 182 c C -1.109 173.187 174.090 0.342 0.000 1.205 182 c CA -1.124 55.330 56.329 0.208 0.000 1.937 182 c CB 2.694 45.285 42.510 0.135 0.000 2.341 182 c HN 0.958 9.397 8.230 0.348 0.000 0.516 183 A N 2.989 125.993 122.820 0.307 0.000 2.476 183 A HA 0.699 5.228 4.320 0.091 -0.154 0.280 183 A C -2.212 175.427 177.584 0.092 0.000 1.081 183 A CA -0.565 51.562 52.037 0.151 0.000 0.753 183 A CB 2.717 21.715 19.000 -0.002 0.000 1.248 183 A HN 0.418 8.785 8.150 0.362 0.000 0.424 184 Y N 2.774 123.108 120.300 0.057 0.000 2.393 184 Y HA -0.018 4.552 4.550 0.035 0.000 0.338 184 Y C 1.114 177.032 175.900 0.029 0.000 1.029 184 Y CA 0.174 58.297 58.100 0.038 0.000 1.239 184 Y CB 0.410 38.890 38.460 0.034 0.000 1.170 184 Y HN 0.354 8.776 8.280 0.238 0.000 0.515 185 L N 3.961 125.258 121.223 0.123 0.000 2.376 185 L HA -0.280 4.091 4.340 0.052 0.000 0.219 185 L C 1.031 177.945 176.870 0.074 0.000 1.133 185 L CA 2.014 56.895 54.840 0.069 0.000 0.816 185 L CB -0.402 41.676 42.059 0.032 0.000 0.933 185 L HN 0.525 8.813 8.230 0.097 0.000 0.449 186 E N -2.945 117.319 120.200 0.106 0.000 2.427 186 E HA -0.149 4.228 4.350 0.046 0.000 0.196 186 E C 0.200 176.834 176.600 0.057 0.000 1.028 186 E CA 0.190 56.630 56.400 0.068 0.000 0.864 186 E CB -0.232 29.505 29.700 0.060 0.000 0.813 186 E HN 0.056 8.465 8.360 0.159 0.047 0.514 187 G N 0.856 109.707 108.800 0.084 0.000 3.405 187 G HA2 -0.382 3.661 3.960 0.080 0.000 0.676 187 G HA3 -0.382 3.615 3.960 0.042 -0.012 0.676 187 G C -0.902 174.018 174.900 0.033 0.000 1.039 187 G CA -0.128 45.009 45.100 0.062 0.000 0.855 187 G HN -0.621 7.589 8.290 0.130 0.158 0.443 188 K N 1.071 121.469 120.400 -0.003 0.000 7.156 188 K HA -0.598 3.885 4.320 0.005 -0.160 0.723 188 K C -1.426 175.267 176.600 0.155 0.000 2.501 188 K CA 0.343 56.641 56.287 0.018 0.000 1.807 188 K CB -0.037 32.364 32.500 -0.164 0.000 1.947 188 K HN 0.286 8.560 8.250 0.041 0.000 0.300 189 D N 0.980 121.457 120.400 0.129 0.000 2.764 189 D HA 0.241 5.008 4.640 0.210 0.000 0.293 189 D C -1.900 174.473 176.300 0.120 0.000 1.287 189 D CA -0.526 53.567 54.000 0.155 0.000 0.768 189 D CB 3.681 44.556 40.800 0.125 0.000 1.288 189 D HN 0.362 8.783 8.370 0.085 0.000 0.426 190 S N -1.371 114.416 115.700 0.144 0.000 2.707 190 S HA 0.275 4.866 4.470 0.097 -0.063 0.276 190 S C -1.454 173.197 174.600 0.086 0.000 1.179 190 S CA -0.305 57.968 58.200 0.123 0.000 0.992 190 S CB 1.617 64.930 63.200 0.188 0.000 1.030 190 S HN 0.284 8.701 8.310 0.179 0.000 0.554 191 c N -1.735 116.918 118.600 0.089 0.000 3.293 191 c HA 0.244 4.859 4.570 0.074 0.000 0.362 191 c C -1.484 172.686 174.090 0.132 0.000 1.539 191 c CA -0.616 55.764 56.329 0.085 0.000 1.201 191 c CB 3.141 45.681 42.510 0.050 0.000 1.770 191 c HN 0.432 9.029 8.230 0.105 -0.304 0.440 192 Q N 1.822 121.709 119.800 0.144 0.000 2.283 192 Q HA -0.407 4.064 4.340 0.218 0.000 0.301 192 Q C 0.905 177.092 176.000 0.311 0.000 1.063 192 Q CA 2.179 58.113 55.803 0.218 0.000 0.952 192 Q CB 0.548 29.415 28.738 0.215 0.000 1.166 192 Q HN 0.512 8.848 8.270 0.110 0.000 0.381 193 G N 6.464 115.462 108.800 0.330 0.000 2.284 193 G HA2 -0.436 3.739 3.960 0.358 0.000 0.216 193 G HA3 -0.436 3.858 3.960 0.557 0.000 0.216 193 G C 0.448 175.585 174.900 0.394 0.000 1.009 193 G CA 0.943 46.295 45.100 0.419 0.000 0.625 193 G HN 0.376 8.839 8.290 0.288 0.000 0.501 194 D N 2.356 122.924 120.400 0.280 0.000 2.333 194 D HA 0.107 4.897 4.640 0.251 0.000 0.208 194 D C 0.078 176.486 176.300 0.180 0.000 0.984 194 D CA 0.925 55.057 54.000 0.220 0.000 0.873 194 D CB 0.566 41.461 40.800 0.158 0.000 0.935 194 D HN 0.093 8.514 8.370 0.251 0.099 0.521 195 S N -0.966 114.842 115.700 0.179 0.000 2.599 195 S HA -0.568 4.135 4.470 0.157 -0.139 0.303 195 S C 1.114 175.734 174.600 0.035 0.000 1.267 195 S CA 2.121 60.404 58.200 0.137 0.000 1.055 195 S CB -0.154 63.175 63.200 0.215 0.000 0.790 195 S HN -0.536 7.862 8.310 0.211 0.039 0.500 196 G N 4.628 113.432 108.800 0.007 0.000 2.253 196 G HA2 -0.466 3.546 3.960 -0.031 0.000 0.251 196 G HA3 -0.466 3.568 3.960 -0.060 -0.110 0.251 196 G C -0.099 174.835 174.900 0.057 0.000 0.998 196 G CA 0.276 45.368 45.100 -0.014 0.000 0.621 196 G HN 0.939 9.147 8.290 0.040 0.106 0.524 197 G N 0.859 109.718 108.800 0.098 0.000 2.621 197 G HA2 0.374 4.479 3.960 0.124 0.000 0.271 197 G HA3 0.374 4.409 3.960 0.125 0.000 0.271 197 G C -2.707 172.276 174.900 0.139 0.000 1.236 197 G CA -1.961 43.213 45.100 0.124 0.000 0.958 197 G HN -0.220 7.956 8.290 0.107 0.178 0.512 198 P HA 0.378 5.003 4.420 0.135 -0.123 0.286 198 P C -1.642 175.726 177.300 0.114 0.000 1.261 198 P CA -0.968 62.227 63.100 0.157 0.000 0.821 198 P CB 1.661 33.520 31.700 0.265 0.000 1.013 199 V N 2.742 122.702 119.914 0.078 0.000 2.419 199 V HA 0.296 4.580 4.120 -0.010 -0.170 0.287 199 V C -1.320 174.789 176.094 0.025 0.000 1.017 199 V CA -0.461 61.846 62.300 0.012 0.000 0.844 199 V CB 1.592 33.389 31.823 -0.044 0.000 1.011 199 V HN -0.142 8.101 8.190 0.087 0.000 0.429 200 V N 7.939 127.862 119.914 0.015 0.000 2.459 200 V HA 0.607 4.882 4.120 -0.055 -0.189 0.295 200 V C -1.387 174.695 176.094 -0.021 0.000 1.029 200 V CA -1.291 60.991 62.300 -0.030 0.000 0.874 200 V CB 3.053 34.839 31.823 -0.061 0.000 0.985 200 V HN 0.828 9.040 8.190 0.037 0.000 0.438 201 c N 7.637 126.211 118.600 -0.043 0.000 2.431 201 c HA 0.589 5.141 4.570 -0.030 0.000 0.321 201 c C 0.106 174.170 174.090 -0.044 0.000 1.202 201 c CA -1.214 55.088 56.329 -0.045 0.000 1.398 201 c CB 1.776 44.241 42.510 -0.075 0.000 2.047 201 c HN 0.792 8.989 8.230 -0.055 0.000 0.465 202 S N 5.586 121.268 115.700 -0.030 0.000 3.549 202 S HA -0.337 4.124 4.470 -0.015 0.000 0.366 202 S C 0.393 174.975 174.600 -0.030 0.000 1.012 202 S CA 0.965 59.149 58.200 -0.025 0.000 1.141 202 S CB -1.312 61.869 63.200 -0.031 0.000 0.910 202 S HN 1.107 9.405 8.310 -0.020 0.000 0.471 203 G N -5.030 103.750 108.800 -0.032 0.000 2.168 203 G HA2 -0.359 3.568 3.960 -0.055 0.000 0.257 203 G HA3 -0.359 3.581 3.960 -0.033 0.000 0.257 203 G C -0.831 174.019 174.900 -0.083 0.000 0.997 203 G CA 0.494 45.564 45.100 -0.051 0.000 0.708 203 G HN 0.324 8.589 8.290 -0.023 0.011 0.520 210 Q N 1.163 120.988 119.800 0.041 0.000 2.391 210 Q HA 0.175 4.560 4.340 0.075 0.000 0.211 210 Q C -0.224 175.944 176.000 0.279 0.000 0.908 210 Q CA 0.267 56.123 55.803 0.087 0.000 0.920 210 Q CB 2.570 31.286 28.738 -0.037 0.000 1.056 210 Q HN 0.333 8.616 8.270 0.021 0.000 0.523 211 G N -3.303 105.669 108.800 0.286 0.000 2.694 211 G HA2 0.613 5.041 3.960 0.378 0.000 0.290 211 G HA3 0.613 4.811 3.960 0.396 0.000 0.290 211 G C -3.268 171.745 174.900 0.189 0.000 1.386 211 G CA -0.688 44.610 45.100 0.331 0.000 0.872 211 G HN -0.330 8.067 8.290 0.177 0.000 0.475 212 I N -1.117 119.560 120.570 0.177 0.000 2.466 212 I HA 0.559 5.033 4.170 0.152 -0.212 0.289 212 I C -0.419 175.823 176.117 0.208 0.000 1.026 212 I CA -1.396 59.995 61.300 0.153 0.000 1.078 212 I CB 4.150 42.200 38.000 0.084 0.000 1.249 212 I HN -0.345 7.959 8.210 0.157 0.000 0.429 213 V N 7.509 127.565 119.914 0.237 0.000 2.493 213 V HA -0.218 4.001 4.120 0.164 0.000 0.292 213 V C -1.138 174.986 176.094 0.050 0.000 1.016 213 V CA 2.182 64.585 62.300 0.172 0.000 1.097 213 V CB -1.060 30.881 31.823 0.196 0.000 0.947 213 V HN 0.398 8.711 8.190 0.204 0.000 0.479 214 S N 7.421 123.059 115.700 -0.104 0.000 3.142 214 S HA 0.405 5.070 4.470 0.325 0.000 0.223 214 S C -1.412 173.301 174.600 0.188 0.000 0.939 214 S CA 1.053 59.333 58.200 0.133 0.000 0.826 214 S CB 2.454 65.723 63.200 0.116 0.000 0.823 214 S HN -0.088 7.955 8.310 -0.445 0.000 0.612 215 W N -4.312 116.837 121.300 -0.252 0.000 2.940 215 W HA 0.259 4.817 4.660 -0.170 0.000 0.394 215 W C -2.674 173.674 176.519 -0.284 0.000 1.155 215 W CA -0.681 56.523 57.345 -0.236 0.000 1.165 215 W CB 1.264 30.580 29.460 -0.240 0.000 1.492 215 W HN -0.195 7.698 8.180 -0.479 0.000 0.593 216 G N -3.377 105.506 108.800 0.138 0.000 2.356 216 G HA2 0.069 3.775 3.960 -0.423 0.000 0.294 216 G HA3 0.069 3.973 3.960 -0.093 0.000 0.294 216 G C -2.050 172.993 174.900 0.238 0.000 1.423 216 G CA 0.172 45.246 45.100 -0.043 0.000 0.806 216 G HN -0.046 8.493 8.290 0.415 0.000 0.527 220 c N 1.949 120.586 118.600 0.061 0.000 3.370 220 c HA 0.286 5.030 4.570 0.063 -0.136 0.190 220 c C -1.509 172.612 174.090 0.052 0.000 1.647 220 c CA -0.752 55.611 56.329 0.056 0.000 1.277 220 c CB -1.211 41.325 42.510 0.042 0.000 2.037 220 c HN 0.329 8.590 8.230 0.053 0.000 0.537 221 Q N -2.008 117.825 119.800 0.055 0.000 2.889 221 Q HA 0.142 4.503 4.340 0.034 0.000 0.262 221 Q C -1.596 174.426 176.000 0.037 0.000 0.966 221 Q CA -0.718 55.111 55.803 0.042 0.000 0.858 221 Q CB 2.312 31.076 28.738 0.043 0.000 1.845 221 Q HN -0.000 8.309 8.270 0.065 0.000 0.464 222 K N 3.771 124.186 120.400 0.025 0.000 2.436 222 K HA -0.267 4.188 4.320 0.032 -0.116 0.275 222 K C 0.237 176.835 176.600 -0.003 0.000 0.999 222 K CA 0.758 57.056 56.287 0.019 0.000 0.980 222 K CB 0.023 32.530 32.500 0.013 0.000 0.919 222 K HN 0.253 8.516 8.250 0.022 0.000 0.484 223 N N 2.094 120.788 118.700 -0.009 0.000 2.713 223 N HA -0.476 4.238 4.740 -0.044 0.000 0.251 223 N C -1.709 173.726 175.510 -0.126 0.000 1.117 223 N CA 1.864 54.881 53.050 -0.055 0.000 0.770 223 N CB -0.410 38.040 38.487 -0.062 0.000 1.137 223 N HN 0.777 9.038 8.380 0.012 0.126 0.566 224 K N -2.537 117.820 120.400 -0.072 0.000 2.753 224 K HA 0.541 4.650 4.320 -0.351 0.000 0.185 224 K C -2.437 174.210 176.600 0.079 0.000 1.071 224 K CA -3.463 52.775 56.287 -0.081 0.000 0.999 224 K CB -0.085 32.426 32.500 0.019 0.000 1.244 224 K HN -0.754 7.433 8.250 -0.012 0.056 0.594 225 P HA -0.017 4.468 4.420 0.109 0.000 0.275 225 P C -0.488 176.868 177.300 0.092 0.000 1.266 225 P CA -0.472 62.696 63.100 0.114 0.000 0.793 225 P CB 1.210 32.966 31.700 0.094 0.000 1.074 226 G N -2.267 106.555 108.800 0.037 0.000 2.503 226 G HA2 0.300 4.062 3.960 -0.330 0.000 0.257 226 G HA3 0.300 4.127 3.960 -0.222 0.000 0.257 226 G C -1.781 172.805 174.900 -0.523 0.000 1.214 226 G CA -0.609 44.336 45.100 -0.258 0.000 0.839 226 G HN -0.371 7.999 8.290 0.133 0.000 0.559 227 V N 1.695 120.961 119.914 -1.080 0.000 2.495 227 V HA 0.677 4.560 4.120 -0.690 -0.177 0.298 227 V C -0.989 174.333 176.094 -1.288 0.000 1.031 227 V CA -1.061 60.557 62.300 -1.136 0.000 0.871 227 V CB 2.401 33.123 31.823 -1.835 0.000 0.988 227 V HN 0.537 8.055 8.190 -1.120 0.000 0.432 228 Y N 4.969 124.867 120.300 -0.669 0.000 2.499 228 Y HA 0.593 5.060 4.550 -0.378 -0.143 0.347 228 Y C 0.247 175.855 175.900 -0.486 0.000 0.987 228 Y CA -2.315 55.397 58.100 -0.646 0.000 1.044 228 Y CB 3.718 41.514 38.460 -1.107 0.000 1.245 228 Y HN 1.052 8.949 8.280 -0.639 0.000 0.461 229 T N 4.954 119.464 114.554 -0.073 0.000 2.851 229 T HA 0.017 4.580 4.350 0.094 -0.156 0.298 229 T C -0.656 174.165 174.700 0.202 0.000 0.977 229 T CA 1.436 63.578 62.100 0.069 0.000 1.126 229 T CB 0.478 69.373 68.868 0.044 0.000 0.916 229 T HN 0.460 8.687 8.240 -0.021 0.000 0.529 230 K N 8.366 128.973 120.400 0.345 0.000 2.171 230 K HA 0.065 4.806 4.320 0.702 0.000 0.274 230 K C 0.983 177.838 176.600 0.424 0.000 1.110 230 K CA -0.416 56.158 56.287 0.479 0.000 0.952 230 K CB -0.382 32.352 32.500 0.391 0.000 1.309 230 K HN 0.220 8.550 8.250 0.313 0.107 0.414 231 V N 6.196 126.339 119.914 0.383 0.000 2.380 231 V HA -0.537 3.868 4.120 0.475 0.000 0.251 231 V C 1.449 177.708 176.094 0.274 0.000 1.063 231 V CA 3.937 66.447 62.300 0.350 0.000 1.055 231 V CB -0.293 31.666 31.823 0.228 0.000 0.657 231 V HN 0.293 8.720 8.190 0.395 0.000 0.455 232 c N -3.330 115.369 118.600 0.165 0.000 2.409 232 c HA -0.229 4.390 4.570 0.081 0.000 0.284 232 c C 1.719 175.831 174.090 0.038 0.000 1.354 232 c CA 1.759 58.136 56.329 0.081 0.000 1.787 232 c CB -2.120 40.407 42.510 0.029 0.000 1.900 232 c HN 0.467 8.778 8.230 0.166 0.019 0.520 233 N N 0.869 119.560 118.700 -0.015 0.000 2.515 233 N HA -0.097 4.548 4.740 -0.159 0.000 0.185 233 N C 0.277 175.545 175.510 -0.404 0.000 1.109 233 N CA 1.223 54.122 53.050 -0.252 0.000 0.903 233 N CB -0.231 37.977 38.487 -0.465 0.000 0.969 233 N HN -0.334 8.050 8.380 0.067 0.037 0.450 234 Y N -4.833 115.535 120.300 0.113 0.000 2.500 234 Y HA 0.159 4.842 4.550 0.222 0.000 0.246 234 Y C 0.001 176.036 175.900 0.225 0.000 1.146 234 Y CA -0.516 57.705 58.100 0.202 0.000 1.230 234 Y CB 0.075 38.671 38.460 0.226 0.000 1.214 234 Y HN -0.095 8.105 8.280 0.192 0.195 0.526 235 V N 1.030 121.082 119.914 0.229 0.000 2.332 235 V HA -0.592 3.625 4.120 0.161 0.000 0.248 235 V C 1.376 177.544 176.094 0.123 0.000 1.055 235 V CA 5.034 67.426 62.300 0.153 0.000 1.038 235 V CB -0.577 31.296 31.823 0.083 0.000 0.651 235 V HN -0.853 7.435 8.190 0.164 0.000 0.450 236 S N -0.360 115.412 115.700 0.120 0.000 2.383 236 S HA -0.291 4.200 4.470 0.035 0.000 0.227 236 S C 1.605 176.275 174.600 0.116 0.000 1.026 236 S CA 3.492 61.743 58.200 0.084 0.000 0.981 236 S CB -0.399 62.845 63.200 0.073 0.000 0.818 236 S HN 0.118 8.497 8.310 0.116 0.000 0.472 237 W N 3.949 125.288 121.300 0.064 0.000 2.355 237 W HA -0.161 4.525 4.660 0.044 0.000 0.309 237 W C 1.571 178.106 176.519 0.027 0.000 1.206 237 W CA 3.050 60.443 57.345 0.081 0.000 1.284 237 W CB 0.009 29.604 29.460 0.224 0.000 1.145 237 W HN -0.417 7.977 8.180 0.376 0.012 0.502 238 I N -0.639 119.950 120.570 0.032 0.000 2.179 238 I HA -0.757 3.046 4.170 -0.612 0.000 0.242 238 I C 1.850 177.744 176.117 -0.371 0.000 1.088 238 I CA 4.543 65.682 61.300 -0.267 0.000 1.357 238 I CB -0.252 37.745 38.000 -0.005 0.000 1.051 238 I HN 0.354 8.765 8.210 0.336 0.000 0.409 239 K N -0.828 119.449 120.400 -0.206 0.000 2.026 239 K HA -0.428 3.742 4.320 -0.250 0.000 0.208 239 K C 2.743 179.191 176.600 -0.253 0.000 1.048 239 K CA 3.854 60.015 56.287 -0.211 0.000 0.929 239 K CB -0.364 32.072 32.500 -0.106 0.000 0.713 239 K HN -0.176 8.018 8.250 -0.092 0.000 0.439 240 Q N -1.642 118.021 119.800 -0.229 0.000 2.084 240 Q HA -0.284 3.961 4.340 -0.159 0.000 0.202 240 Q C 2.783 178.594 176.000 -0.315 0.000 0.978 240 Q CA 3.127 58.803 55.803 -0.213 0.000 0.844 240 Q CB 0.021 28.676 28.738 -0.138 0.000 0.898 240 Q HN 0.073 8.232 8.270 -0.184 0.000 0.426 241 T N 2.660 116.901 114.554 -0.521 0.000 2.777 241 T HA -0.250 3.848 4.350 -0.420 0.000 0.266 241 T C 2.299 176.672 174.700 -0.545 0.000 1.040 241 T CA 4.948 66.693 62.100 -0.591 0.000 1.141 241 T CB -0.143 68.108 68.868 -1.028 0.000 0.868 241 T HN -0.053 7.817 8.240 -0.618 0.000 0.444 242 I N 1.120 121.264 120.570 -0.709 0.000 2.226 242 I HA -0.448 2.959 4.170 -1.271 0.000 0.245 242 I C 1.751 177.640 176.117 -0.379 0.000 1.100 242 I CA 3.730 64.504 61.300 -0.877 0.000 1.374 242 I CB -0.364 37.040 38.000 -0.994 0.000 1.057 242 I HN 0.167 7.964 8.210 -0.688 0.000 0.413 243 A N -0.201 122.451 122.820 -0.280 0.000 2.019 243 A HA -0.202 4.055 4.320 -0.105 0.000 0.219 243 A C 1.123 178.657 177.584 -0.083 0.000 1.164 243 A CA 3.002 54.955 52.037 -0.140 0.000 0.644 243 A CB -0.293 18.634 19.000 -0.122 0.000 0.805 243 A HN 0.192 8.148 8.150 -0.323 0.000 0.449 244 S N -4.818 110.821 115.700 -0.102 0.000 2.577 244 S HA 0.063 4.517 4.470 -0.027 0.000 0.219 244 S C -0.284 174.318 174.600 0.004 0.000 0.962 244 S CA 0.136 58.309 58.200 -0.046 0.000 0.921 244 S CB 0.598 63.761 63.200 -0.062 0.000 0.789 244 S HN -0.423 7.659 8.310 -0.168 0.127 0.497 245 N N 0.000 118.729 118.700 0.049 0.000 1.763 245 N HA 0.000 4.810 4.740 0.117 0.000 0.220 245 N CA 0.000 53.154 53.050 0.174 0.000 0.885 245 N CB 0.000 38.665 38.487 0.296 0.000 1.341 245 N HN 0.000 8.218 8.380 0.011 0.169 0.667