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 1o2m_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 4.182 4.170 0.020 0.000 0.288 16 I C 0.000 176.107 176.117 -0.017 0.000 1.063 16 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 16 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 17 V N 5.594 125.508 119.914 0.001 0.000 2.472 17 V HA 0.229 4.467 4.120 -0.019 -0.130 0.290 17 V C 0.740 176.831 176.094 -0.005 0.000 1.037 17 V CA -1.576 60.720 62.300 -0.006 0.000 0.908 17 V CB 1.223 33.050 31.823 0.005 0.000 0.985 17 V HN 0.780 8.984 8.190 0.022 0.000 0.454 18 G N 6.596 115.388 108.800 -0.014 0.000 2.225 18 G HA2 -0.406 3.545 3.960 -0.017 0.000 0.267 18 G HA3 -0.406 3.683 3.960 -0.036 -0.150 0.267 18 G C -0.687 174.212 174.900 -0.001 0.000 1.024 18 G CA 0.624 45.713 45.100 -0.019 0.000 0.784 18 G HN 0.805 9.086 8.290 -0.015 0.000 0.507 19 G N -1.456 107.342 108.800 -0.004 0.000 2.671 19 G HA2 0.526 4.506 3.960 0.063 0.000 0.275 19 G HA3 0.526 4.517 3.960 -0.101 -0.092 0.275 19 G C -1.831 173.099 174.900 0.049 0.000 1.368 19 G CA -1.133 43.962 45.100 -0.008 0.000 1.044 19 G HN -0.673 7.571 8.290 -0.019 0.034 0.543 20 Y N -6.138 114.140 120.300 -0.036 0.000 2.634 20 Y HA 0.409 4.940 4.550 -0.032 0.000 0.340 20 Y C -1.769 174.103 175.900 -0.047 0.000 1.058 20 Y CA -2.875 55.204 58.100 -0.036 0.000 1.081 20 Y CB 1.293 39.734 38.460 -0.031 0.000 1.295 20 Y HN 0.330 8.165 8.280 -0.568 0.105 0.487 21 T N 2.729 117.346 114.554 0.104 0.000 2.799 21 T HA 0.074 4.509 4.350 -0.095 -0.142 0.296 21 T C -0.005 174.726 174.700 0.051 0.000 0.947 21 T CA 1.257 63.362 62.100 0.008 0.000 1.141 21 T CB -0.281 68.614 68.868 0.044 0.000 0.891 21 T HN 0.115 8.463 8.240 0.181 0.000 0.533 22 c N 5.515 124.049 118.600 -0.109 0.000 2.413 22 c HA -0.180 4.408 4.570 0.030 0.000 0.276 22 c C 0.449 174.560 174.090 0.034 0.000 1.248 22 c CA 0.956 57.254 56.329 -0.052 0.000 1.742 22 c CB -0.215 42.193 42.510 -0.171 0.000 2.017 22 c HN 0.109 8.217 8.230 -0.203 0.000 0.481 23 G N -2.087 106.716 108.800 0.006 0.000 2.906 23 G HA2 -0.186 3.789 3.960 0.026 0.000 0.686 23 G HA3 -0.186 3.792 3.960 0.030 0.000 0.686 23 G C -1.842 173.059 174.900 0.000 0.000 1.170 23 G CA -0.805 44.306 45.100 0.020 0.000 0.775 23 G HN -0.343 7.934 8.290 -0.021 0.000 0.630 24 A N 3.843 126.670 122.820 0.012 0.000 2.567 24 A HA -0.228 4.255 4.320 0.022 -0.150 0.240 24 A C -0.163 177.424 177.584 0.005 0.000 1.053 24 A CA 1.078 53.125 52.037 0.017 0.000 0.755 24 A CB 0.082 19.098 19.000 0.028 0.000 0.978 24 A HN 0.313 8.475 8.150 0.019 0.000 0.507 25 N N -2.873 115.827 118.700 0.000 0.000 2.693 25 N HA -0.385 4.343 4.740 -0.020 0.000 0.249 25 N C 0.433 175.921 175.510 -0.037 0.000 1.119 25 N CA 1.693 54.734 53.050 -0.014 0.000 0.717 25 N CB -1.049 37.441 38.487 0.005 0.000 1.071 25 N HN 0.542 8.929 8.380 0.012 0.000 0.555 26 T N -3.679 110.845 114.554 -0.050 0.000 3.129 26 T HA 0.008 4.346 4.350 -0.020 0.000 0.251 26 T C -0.121 174.522 174.700 -0.095 0.000 1.117 26 T CA 1.937 64.012 62.100 -0.042 0.000 1.034 26 T CB 0.399 69.258 68.868 -0.013 0.000 0.968 26 T HN -0.544 7.629 8.240 -0.052 0.036 0.526 27 V N 2.028 121.824 119.914 -0.197 0.000 2.384 27 V HA 0.349 4.190 4.120 -0.464 0.000 0.257 27 V C -1.530 174.257 176.094 -0.512 0.000 0.969 27 V CA -3.368 58.655 62.300 -0.463 0.000 0.910 27 V CB 0.666 32.204 31.823 -0.474 0.000 1.150 27 V HN -0.563 7.446 8.190 -0.165 0.082 0.481 28 P HA 0.066 4.528 4.420 -0.092 -0.097 0.234 28 P C -0.169 177.087 177.300 -0.074 0.000 1.167 28 P CA 1.512 64.537 63.100 -0.127 0.000 0.763 28 P CB 0.032 31.731 31.700 -0.003 0.000 0.835 29 Y N -6.191 114.133 120.300 0.040 0.000 2.462 29 Y HA 0.554 5.291 4.550 0.055 -0.155 0.261 29 Y C -0.554 175.382 175.900 0.060 0.000 1.146 29 Y CA -3.238 54.891 58.100 0.049 0.000 1.283 29 Y CB -0.930 37.555 38.460 0.041 0.000 1.090 29 Y HN -0.398 7.230 8.280 -0.967 0.072 0.526 30 Q N 2.841 122.518 119.800 -0.204 0.000 2.313 30 Q HA 0.129 4.667 4.340 0.100 -0.139 0.266 30 Q C -0.238 175.847 176.000 0.142 0.000 0.989 30 Q CA 0.332 56.125 55.803 -0.016 0.000 0.890 30 Q CB 0.942 29.567 28.738 -0.190 0.000 1.200 30 Q HN -0.658 7.145 8.270 -0.520 0.156 0.396 31 V N 1.223 121.256 119.914 0.199 0.000 3.046 31 V HA 0.798 5.146 4.120 0.184 -0.117 0.316 31 V C -1.852 174.380 176.094 0.231 0.000 1.104 31 V CA -2.942 59.467 62.300 0.181 0.000 1.006 31 V CB 3.836 35.716 31.823 0.094 0.000 1.058 31 V HN 0.179 8.482 8.190 0.189 0.000 0.440 32 S N -0.003 115.730 115.700 0.055 0.000 2.482 32 S HA 0.415 4.996 4.470 0.185 0.000 0.303 32 S C -1.160 173.307 174.600 -0.223 0.000 1.091 32 S CA -1.970 56.202 58.200 -0.046 0.000 1.057 32 S CB 1.936 64.905 63.200 -0.386 0.000 1.031 32 S HN 0.016 8.318 8.310 -0.013 0.000 0.485 33 L N 6.348 127.293 121.223 -0.464 0.000 2.282 33 L HA 0.562 4.795 4.340 -0.387 -0.125 0.288 33 L C -1.590 174.799 176.870 -0.803 0.000 1.033 33 L CA -0.904 53.541 54.840 -0.659 0.000 0.807 33 L CB 1.171 42.632 42.059 -0.997 0.000 1.209 33 L HN 0.640 8.536 8.230 -0.556 0.000 0.423 38 G N -0.046 108.668 108.800 -0.144 0.000 2.179 38 G HA2 -0.293 3.661 3.960 -0.009 0.000 0.220 38 G HA3 -0.293 3.746 3.960 0.133 0.000 0.220 38 G C -1.481 173.522 174.900 0.171 0.000 0.990 38 G CA 0.389 45.513 45.100 0.041 0.000 0.646 38 G HN 0.272 8.736 8.290 -0.192 -0.289 0.517 39 Y N -7.297 112.977 120.300 -0.042 0.000 2.741 39 Y HA 0.218 4.729 4.550 -0.064 0.000 0.339 39 Y C -2.551 173.343 175.900 -0.010 0.000 1.226 39 Y CA -3.564 54.511 58.100 -0.041 0.000 1.072 39 Y CB 0.700 39.134 38.460 -0.044 0.000 1.331 39 Y HN -1.170 6.908 8.280 -0.373 -0.022 0.453 40 H N 1.909 120.913 119.070 -0.110 0.000 2.690 40 H HA 0.059 4.554 4.556 -0.363 -0.157 0.314 40 H C -0.797 174.487 175.328 -0.073 0.000 1.069 40 H CA -0.139 55.771 56.048 -0.231 0.000 1.436 40 H CB 0.515 30.130 29.762 -0.244 0.000 1.462 40 H HN 0.156 8.526 8.280 0.150 0.000 0.511 41 F N 1.373 120.879 119.950 -0.741 0.000 2.747 41 F HA 0.356 4.770 4.527 -0.189 0.000 0.305 41 F C -1.567 173.970 175.800 -0.440 0.000 1.065 41 F CA -0.249 57.499 58.000 -0.419 0.000 1.230 41 F CB 1.760 40.580 39.000 -0.302 0.000 1.027 41 F HN -0.168 7.434 8.300 -1.163 0.000 0.607 42 c N -1.606 116.320 118.600 -1.122 0.000 3.318 42 c HA 0.406 4.835 4.570 -0.235 0.000 0.322 42 c C -1.620 172.237 174.090 -0.389 0.000 1.398 42 c CA -0.372 55.630 56.329 -0.545 0.000 1.339 42 c CB 4.086 46.359 42.510 -0.395 0.000 1.668 42 c HN -0.828 6.399 8.230 -1.672 0.000 0.462 43 G N -1.105 107.667 108.800 -0.046 0.000 2.601 43 G HA2 0.817 5.048 3.960 0.220 0.000 0.317 43 G HA3 0.817 4.904 3.960 0.212 0.000 0.317 43 G C -2.552 172.369 174.900 0.035 0.000 1.246 43 G CA -1.672 43.506 45.100 0.129 0.000 1.012 43 G HN 0.806 9.080 8.290 -0.027 0.000 0.494 44 G N -3.908 104.949 108.800 0.094 0.000 2.550 44 G HA2 0.587 4.870 3.960 0.069 0.000 0.293 44 G HA3 0.587 4.576 3.960 0.049 0.000 0.293 44 G C -2.849 172.133 174.900 0.136 0.000 1.402 44 G CA 0.233 45.381 45.100 0.080 0.000 0.784 44 G HN -0.603 7.779 8.290 0.154 0.000 0.482 45 S N -0.562 115.223 115.700 0.142 0.000 2.557 45 S HA 0.758 5.575 4.470 0.261 -0.190 0.291 45 S C -1.439 173.261 174.600 0.167 0.000 1.116 45 S CA -0.755 57.562 58.200 0.194 0.000 0.992 45 S CB 3.839 67.138 63.200 0.164 0.000 1.028 45 S HN 0.325 8.705 8.310 0.117 0.000 0.484 46 L N 5.829 127.167 121.223 0.193 0.000 2.319 46 L HA 0.198 4.626 4.340 0.146 0.000 0.280 46 L C -0.850 176.104 176.870 0.140 0.000 1.099 46 L CA -0.179 54.756 54.840 0.158 0.000 0.828 46 L CB 1.476 43.627 42.059 0.153 0.000 1.150 46 L HN 0.564 8.839 8.230 0.255 0.108 0.442 47 I N -0.441 120.207 120.570 0.130 0.000 4.181 47 I HA 0.544 4.906 4.170 0.065 -0.153 0.331 47 I C -1.006 175.166 176.117 0.093 0.000 1.312 47 I CA -0.749 60.605 61.300 0.091 0.000 1.146 47 I CB 1.120 39.162 38.000 0.071 0.000 1.074 47 I HN 0.193 8.498 8.210 0.158 0.000 0.402 48 N N -2.165 116.613 118.700 0.129 0.000 3.179 48 N HA 0.173 4.968 4.740 0.091 0.000 0.250 48 N C -0.715 174.872 175.510 0.130 0.000 1.507 48 N CA -0.536 52.587 53.050 0.122 0.000 0.883 48 N CB 0.806 39.375 38.487 0.137 0.000 1.435 48 N HN -0.939 7.533 8.380 0.154 0.000 0.532 49 S N -3.724 112.041 115.700 0.108 0.000 2.555 49 S HA -0.268 4.246 4.470 0.074 0.000 0.230 49 S C 0.702 175.339 174.600 0.061 0.000 0.978 49 S CA 2.551 60.798 58.200 0.079 0.000 0.934 49 S CB -0.117 63.117 63.200 0.057 0.000 0.766 49 S HN 0.373 8.743 8.310 0.100 0.000 0.533 50 Q N -0.392 119.463 119.800 0.091 0.000 2.140 50 Q HA 0.346 4.637 4.340 -0.081 0.000 0.227 50 Q C -2.208 173.696 176.000 -0.159 0.000 0.798 50 Q CA -0.446 55.323 55.803 -0.056 0.000 0.987 50 Q CB 2.675 31.352 28.738 -0.103 0.000 1.161 50 Q HN 0.252 8.955 8.270 0.181 -0.325 0.480 51 W N -2.405 118.902 121.300 0.012 0.000 2.936 51 W HA 0.664 5.512 4.660 0.009 -0.184 0.338 51 W C -1.599 174.933 176.519 0.022 0.000 1.121 51 W CA -0.981 56.370 57.345 0.010 0.000 1.209 51 W CB 3.969 33.426 29.460 -0.006 0.000 1.420 51 W HN -0.460 7.992 8.180 0.275 -0.107 0.516 52 V N 0.598 120.675 119.914 0.272 0.000 2.823 52 V HA 0.787 5.176 4.120 0.169 -0.168 0.312 52 V C -1.517 174.690 176.094 0.189 0.000 1.072 52 V CA -1.798 60.609 62.300 0.179 0.000 0.937 52 V CB 3.804 35.689 31.823 0.105 0.000 1.013 52 V HN 0.842 9.209 8.190 0.295 0.000 0.430 53 V N 5.304 125.305 119.914 0.145 0.000 2.555 53 V HA 0.722 5.098 4.120 0.152 -0.165 0.302 53 V C -1.385 174.765 176.094 0.093 0.000 1.038 53 V CA -1.230 61.147 62.300 0.129 0.000 0.887 53 V CB 2.376 34.267 31.823 0.113 0.000 0.991 53 V HN 0.573 8.843 8.190 0.132 0.000 0.434 54 S N 4.321 120.064 115.700 0.072 0.000 2.880 54 S HA 0.562 5.256 4.470 0.031 -0.205 0.308 54 S C -2.036 172.556 174.600 -0.012 0.000 1.195 54 S CA -2.600 55.615 58.200 0.024 0.000 0.866 54 S CB 2.504 65.706 63.200 0.004 0.000 1.254 54 S HN 0.695 9.059 8.310 0.089 0.000 0.571 55 A N -0.537 122.236 122.820 -0.079 0.000 2.303 55 A HA 0.398 4.802 4.320 -0.098 -0.143 0.317 55 A C 0.872 178.333 177.584 -0.205 0.000 1.149 55 A CA -1.565 50.385 52.037 -0.145 0.000 0.822 55 A CB 1.562 20.421 19.000 -0.234 0.000 1.131 55 A HN 0.195 8.288 8.150 -0.095 0.000 0.493 56 A N 4.407 127.058 122.820 -0.281 0.000 1.940 56 A HA -0.261 3.896 4.320 -0.272 0.000 0.219 56 A C 1.414 178.765 177.584 -0.388 0.000 1.176 56 A CA 2.995 54.737 52.037 -0.491 0.000 0.631 56 A CB -0.411 17.865 19.000 -1.207 0.000 0.814 56 A HN 0.596 8.584 8.150 -0.252 0.010 0.446 57 H N -5.531 113.379 119.070 -0.266 0.000 2.556 57 H HA -0.027 4.541 4.556 0.019 0.000 0.268 57 H C 0.092 175.468 175.328 0.081 0.000 0.996 57 H CA 1.058 57.099 56.048 -0.011 0.000 1.157 57 H CB -1.100 28.726 29.762 0.106 0.000 1.355 57 H HN 0.043 8.511 8.280 -0.184 -0.299 0.597 58 c N -1.312 117.203 118.600 -0.141 0.000 2.791 58 c HA -0.009 4.629 4.570 0.113 0.000 0.270 58 c C -1.002 173.169 174.090 0.136 0.000 1.257 58 c CA 0.070 56.417 56.329 0.029 0.000 1.699 58 c CB -1.322 41.161 42.510 -0.045 0.000 1.904 58 c HN -0.618 7.297 8.230 -0.212 0.188 0.603 59 Y N 2.389 122.687 120.300 -0.004 0.000 2.597 59 Y HA -0.201 4.371 4.550 0.036 0.000 0.336 59 Y C -1.385 174.501 175.900 -0.023 0.000 1.216 59 Y CA 1.495 59.599 58.100 0.007 0.000 1.463 59 Y CB 1.038 39.488 38.460 -0.017 0.000 1.303 59 Y HN -0.442 7.746 8.280 0.150 0.181 0.576 60 K N 5.776 125.413 120.400 -1.272 0.000 2.711 60 K HA 0.190 4.045 4.320 -0.774 0.000 0.294 60 K C -2.371 173.698 176.600 -0.886 0.000 1.037 60 K CA -0.884 54.851 56.287 -0.920 0.000 0.858 60 K CB 2.369 34.520 32.500 -0.581 0.000 1.521 60 K HN -0.125 7.262 8.250 -1.439 0.000 0.386 61 S N -0.621 114.793 115.700 -0.476 0.000 2.722 61 S HA 0.144 4.446 4.470 -0.280 0.000 0.292 61 S C 0.677 175.153 174.600 -0.206 0.000 1.135 61 S CA -0.491 57.547 58.200 -0.270 0.000 1.003 61 S CB 1.446 64.576 63.200 -0.116 0.000 1.067 61 S HN -0.175 7.922 8.310 -0.355 0.000 0.546 62 G N 0.029 108.748 108.800 -0.134 0.000 2.289 62 G HA2 -0.252 3.659 3.960 -0.081 0.000 0.280 62 G HA3 -0.252 3.641 3.960 -0.111 0.000 0.280 62 G C -1.664 173.170 174.900 -0.111 0.000 1.089 62 G CA 0.212 45.246 45.100 -0.108 0.000 0.939 62 G HN 0.302 8.529 8.290 -0.105 0.000 0.499 63 I N -1.388 119.127 120.570 -0.092 0.000 2.392 63 I HA 0.091 4.258 4.170 -0.004 0.000 0.295 63 I C -1.713 174.364 176.117 -0.067 0.000 0.985 63 I CA -0.965 60.310 61.300 -0.041 0.000 1.221 63 I CB 1.176 39.175 38.000 -0.001 0.000 1.366 63 I HN -0.499 7.654 8.210 -0.094 0.000 0.467 64 Q N 6.438 126.182 119.800 -0.093 0.000 3.184 64 Q HA 0.655 5.042 4.340 -0.093 -0.103 0.236 64 Q C -1.620 174.283 176.000 -0.162 0.000 1.038 64 Q CA -2.060 53.666 55.803 -0.129 0.000 0.857 64 Q CB 4.350 32.978 28.738 -0.183 0.000 1.957 64 Q HN 0.589 8.807 8.270 -0.086 0.000 0.453 65 R N -2.405 118.022 120.500 -0.122 0.000 3.008 65 R HA 0.379 4.945 4.340 0.100 -0.166 0.284 65 R C -1.374 174.956 176.300 0.049 0.000 1.187 65 R CA 0.056 56.126 56.100 -0.051 0.000 1.139 65 R CB 2.216 32.342 30.300 -0.290 0.000 1.273 65 R HN 0.644 8.823 8.270 -0.151 0.000 0.410 70 E N -0.461 119.834 120.200 0.157 0.000 2.283 70 E HA 0.125 4.554 4.350 0.132 0.000 0.271 70 E C -1.872 174.905 176.600 0.295 0.000 1.031 70 E CA 0.213 56.724 56.400 0.185 0.000 0.868 70 E CB 1.620 31.377 29.700 0.096 0.000 1.094 70 E HN -0.635 7.795 8.360 0.177 0.036 0.401 71 D N 0.787 121.343 120.400 0.260 0.000 2.797 71 D HA 0.051 4.895 4.640 0.341 0.000 0.151 71 D C -1.045 175.447 176.300 0.320 0.000 1.472 71 D CA 1.009 55.175 54.000 0.276 0.000 1.553 71 D CB 2.412 43.291 40.800 0.132 0.000 1.590 71 D HN 0.095 8.570 8.370 0.175 0.000 0.217 72 N N 1.293 120.093 118.700 0.167 0.000 2.405 72 N HA 0.150 5.120 4.740 0.172 -0.127 0.260 72 N C 2.121 177.645 175.510 0.023 0.000 1.152 72 N CA -0.222 52.899 53.050 0.119 0.000 0.948 72 N CB 0.449 38.979 38.487 0.072 0.000 1.111 72 N HN -0.351 8.395 8.380 0.124 -0.291 0.485 73 I N -0.010 120.490 120.570 -0.117 0.000 3.444 73 I HA -0.008 4.168 4.170 -0.256 -0.159 0.287 73 I C -0.419 175.616 176.117 -0.137 0.000 1.302 73 I CA 1.072 62.199 61.300 -0.289 0.000 1.368 73 I CB -0.701 36.869 38.000 -0.717 0.000 1.048 73 I HN 0.584 8.742 8.210 -0.085 0.000 0.487 74 N N -2.031 116.635 118.700 -0.057 0.000 2.236 74 N HA 0.134 4.859 4.740 -0.025 0.000 0.196 74 N C -0.696 174.821 175.510 0.013 0.000 1.114 74 N CA 0.715 53.756 53.050 -0.016 0.000 0.859 74 N CB 1.651 40.138 38.487 0.001 0.000 0.982 74 N HN -0.080 8.526 8.380 -0.035 -0.247 0.493 75 V N 0.236 120.163 119.914 0.021 0.000 2.709 75 V HA 0.046 4.182 4.120 0.028 0.000 0.308 75 V C -1.417 174.698 176.094 0.035 0.000 1.062 75 V CA -1.081 61.237 62.300 0.029 0.000 0.901 75 V CB 3.295 35.134 31.823 0.026 0.000 1.003 75 V HN -0.873 7.355 8.190 0.015 -0.028 0.425 76 V N 7.326 127.256 119.914 0.026 0.000 2.389 76 V HA -0.159 4.208 4.120 0.014 -0.239 0.264 76 V C 0.113 176.202 176.094 -0.008 0.000 1.049 76 V CA 0.526 62.826 62.300 -0.001 0.000 0.932 76 V CB -0.136 31.664 31.823 -0.038 0.000 1.011 76 V HN 0.277 8.480 8.190 0.022 0.000 0.475 77 E N 7.946 128.144 120.200 -0.003 0.000 2.473 77 E HA 0.128 4.478 4.350 -0.000 0.000 0.204 77 E C -0.236 176.358 176.600 -0.011 0.000 0.994 77 E CA -0.445 55.956 56.400 0.000 0.000 0.945 77 E CB 0.712 30.423 29.700 0.018 0.000 0.990 77 E HN 0.292 9.081 8.360 0.003 -0.428 0.493 78 G N 0.047 108.830 108.800 -0.028 0.000 2.576 78 G HA2 -0.226 3.697 3.960 -0.061 0.000 0.686 78 G HA3 -0.226 3.717 3.960 -0.027 0.000 0.686 78 G C -1.674 173.210 174.900 -0.027 0.000 1.242 78 G CA -0.717 44.361 45.100 -0.038 0.000 0.819 78 G HN -0.518 7.939 8.290 -0.036 -0.188 0.655 79 N N -3.841 114.838 118.700 -0.036 0.000 2.962 79 N HA -0.271 4.457 4.740 -0.020 0.000 0.206 79 N C -0.809 174.688 175.510 -0.021 0.000 0.907 79 N CA 1.351 54.389 53.050 -0.019 0.000 1.029 79 N CB -0.295 38.195 38.487 0.005 0.000 1.009 79 N HN 0.160 8.510 8.380 -0.050 0.000 0.587 80 E N -0.827 119.341 120.200 -0.053 0.000 2.398 80 E HA 0.073 4.689 4.350 0.042 -0.241 0.263 80 E C -0.113 176.417 176.600 -0.117 0.000 1.046 80 E CA 0.936 57.303 56.400 -0.055 0.000 0.908 80 E CB 0.376 29.978 29.700 -0.164 0.000 0.963 80 E HN -0.155 8.056 8.360 -0.070 0.107 0.431 81 Q N 1.641 121.446 119.800 0.009 0.000 2.285 81 Q HA 0.267 4.560 4.340 -0.078 0.000 0.269 81 Q C -1.603 174.545 176.000 0.246 0.000 1.030 81 Q CA -1.156 54.659 55.803 0.021 0.000 0.788 81 Q CB 3.150 31.911 28.738 0.039 0.000 1.266 81 Q HN 0.140 8.486 8.270 0.126 0.000 0.438 82 F N 3.267 123.198 119.950 -0.032 0.000 2.402 82 F HA 0.460 5.129 4.527 -0.048 -0.171 0.355 82 F C -0.243 175.533 175.800 -0.040 0.000 1.123 82 F CA -2.832 55.143 58.000 -0.042 0.000 1.021 82 F CB 1.057 40.031 39.000 -0.044 0.000 1.160 82 F HN 0.367 8.715 8.300 0.081 0.000 0.451 83 I N 3.631 124.271 120.570 0.116 0.000 2.647 83 I HA 0.256 4.453 4.170 0.044 0.000 0.295 83 I C -1.402 174.710 176.117 -0.008 0.000 1.078 83 I CA -1.482 59.841 61.300 0.039 0.000 1.048 83 I CB 4.206 42.215 38.000 0.016 0.000 1.239 83 I HN 0.742 9.004 8.210 0.086 0.000 0.421 84 S N 4.351 120.039 115.700 -0.020 0.000 2.601 84 S HA 0.154 4.594 4.470 -0.050 0.000 0.271 84 S C -0.451 174.112 174.600 -0.061 0.000 1.305 84 S CA 0.389 58.563 58.200 -0.042 0.000 1.022 84 S CB 1.136 64.314 63.200 -0.036 0.000 0.940 84 S HN 0.370 8.673 8.310 -0.011 0.000 0.525 85 A N 3.692 126.473 122.820 -0.065 0.000 2.401 85 A HA 0.159 4.521 4.320 -0.100 -0.102 0.259 85 A C -0.244 177.291 177.584 -0.081 0.000 1.103 85 A CA -0.224 51.766 52.037 -0.079 0.000 0.789 85 A CB 0.573 19.539 19.000 -0.057 0.000 1.035 85 A HN -0.180 7.934 8.150 -0.061 0.000 0.491 86 S N 3.337 118.968 115.700 -0.115 0.000 2.404 86 S HA 0.046 4.474 4.470 -0.071 0.000 0.223 86 S C 0.385 174.944 174.600 -0.068 0.000 1.040 86 S CA 1.430 59.571 58.200 -0.098 0.000 0.957 86 S CB 0.880 63.997 63.200 -0.138 0.000 0.826 86 S HN 0.791 8.886 8.310 -0.165 0.116 0.491 87 K N -0.049 120.303 120.400 -0.080 0.000 2.568 87 K HA 0.282 4.622 4.320 0.033 0.000 0.273 87 K C -2.332 174.293 176.600 0.040 0.000 0.951 87 K CA -0.606 55.680 56.287 -0.001 0.000 0.854 87 K CB 3.407 35.913 32.500 0.010 0.000 1.424 87 K HN -0.787 7.378 8.250 -0.142 0.000 0.427 88 S N 1.304 117.087 115.700 0.138 0.000 2.482 88 S HA 0.650 5.371 4.470 0.175 -0.145 0.303 88 S C -0.847 173.880 174.600 0.211 0.000 1.091 88 S CA -0.438 57.888 58.200 0.210 0.000 1.057 88 S CB 2.598 66.002 63.200 0.341 0.000 1.031 88 S HN 0.183 8.591 8.310 0.163 0.000 0.485 89 I N 6.976 127.681 120.570 0.225 0.000 2.437 89 I HA 0.116 4.375 4.170 0.148 0.000 0.279 89 I C -1.601 174.657 176.117 0.235 0.000 1.028 89 I CA -0.777 60.648 61.300 0.209 0.000 1.142 89 I CB 1.605 39.745 38.000 0.232 0.000 1.266 89 I HN 1.006 9.367 8.210 0.252 0.000 0.461 90 V N 7.678 127.661 119.914 0.115 0.000 2.686 90 V HA -0.164 4.001 4.120 0.074 0.000 0.295 90 V C -0.204 175.972 176.094 0.138 0.000 1.055 90 V CA -0.482 61.855 62.300 0.061 0.000 1.050 90 V CB 0.900 32.665 31.823 -0.096 0.000 0.984 90 V HN 0.350 8.558 8.190 0.030 0.000 0.482 91 H N 8.527 127.586 119.070 -0.018 0.000 3.034 91 H HA -0.012 4.379 4.556 -0.277 0.000 0.324 91 H C -0.409 174.895 175.328 -0.039 0.000 1.015 91 H CA 0.261 56.169 56.048 -0.234 0.000 1.429 91 H CB 1.569 31.029 29.762 -0.504 0.000 1.429 91 H HN -0.239 8.084 8.280 0.071 0.000 0.585 92 P HA -0.122 4.290 4.420 -0.013 0.000 0.218 92 P C -0.371 176.947 177.300 0.029 0.000 1.148 92 P CA 1.564 64.607 63.100 -0.094 0.000 0.822 92 P CB 0.318 31.949 31.700 -0.115 0.000 0.784 93 S N -3.728 112.073 115.700 0.168 0.000 2.614 93 S HA 0.012 4.533 4.470 0.085 0.000 0.230 93 S C -0.534 174.178 174.600 0.185 0.000 0.952 93 S CA 0.040 58.356 58.200 0.194 0.000 0.949 93 S CB 0.315 63.635 63.200 0.199 0.000 0.786 93 S HN -0.450 7.933 8.310 0.164 0.026 0.478 94 Y N 3.656 124.019 120.300 0.106 0.000 2.620 94 Y HA -0.321 4.399 4.550 -0.014 -0.178 0.330 94 Y C -0.857 175.041 175.900 -0.002 0.000 1.186 94 Y CA 0.813 58.927 58.100 0.022 0.000 1.467 94 Y CB 0.790 39.263 38.460 0.022 0.000 1.262 94 Y HN -0.676 7.620 8.280 0.330 0.182 0.550 95 N N 7.553 125.876 118.700 -0.627 0.000 2.518 95 N HA 0.217 4.674 4.740 -0.472 0.000 0.254 95 N C -0.117 174.899 175.510 -0.824 0.000 0.979 95 N CA -1.412 51.296 53.050 -0.570 0.000 0.930 95 N CB 1.254 39.575 38.487 -0.276 0.000 1.152 95 N HN -0.131 8.007 8.380 -0.404 0.000 0.505 96 S N 6.957 122.150 115.700 -0.846 0.000 2.469 96 S HA -0.165 3.965 4.470 -0.566 0.000 0.238 96 S C 0.756 175.183 174.600 -0.288 0.000 0.998 96 S CA 2.267 60.155 58.200 -0.520 0.000 0.957 96 S CB -0.233 62.826 63.200 -0.235 0.000 0.764 96 S HN 0.645 8.533 8.310 -0.703 0.000 0.514 97 N N 1.680 120.214 118.700 -0.275 0.000 2.368 97 N HA 0.026 4.647 4.740 -0.198 0.000 0.176 97 N C 1.014 176.368 175.510 -0.260 0.000 1.021 97 N CA 2.235 55.153 53.050 -0.220 0.000 0.888 97 N CB 0.678 39.063 38.487 -0.170 0.000 0.995 97 N HN 0.347 8.776 8.380 -0.303 -0.230 0.437 98 T N -3.778 110.618 114.554 -0.264 0.000 3.015 98 T HA 0.061 4.216 4.350 -0.325 0.000 0.250 98 T C 0.257 174.767 174.700 -0.317 0.000 1.057 98 T CA 0.548 62.481 62.100 -0.278 0.000 1.066 98 T CB 1.773 70.532 68.868 -0.181 0.000 0.959 98 T HN -0.342 8.027 8.240 -0.262 -0.285 0.488 99 L N -3.655 117.423 121.223 -0.242 0.000 4.351 99 L HA -0.486 3.968 4.340 0.073 -0.070 0.410 99 L C -1.888 175.017 176.870 0.057 0.000 1.150 99 L CA 0.370 55.175 54.840 -0.058 0.000 0.961 99 L CB -2.583 39.383 42.059 -0.155 0.000 2.130 99 L HN -0.026 8.041 8.230 -0.273 0.000 0.787 100 N N -0.895 117.794 118.700 -0.018 0.000 2.530 100 N HA -0.125 4.663 4.740 0.079 0.000 0.273 100 N C 0.064 175.621 175.510 0.078 0.000 1.173 100 N CA 0.705 53.776 53.050 0.035 0.000 0.967 100 N CB 1.246 39.726 38.487 -0.012 0.000 1.109 100 N HN -0.718 7.554 8.380 -0.110 0.041 0.453 101 N N -1.092 117.649 118.700 0.068 0.000 2.758 101 N HA -0.472 4.214 4.740 -0.090 0.000 0.248 101 N C -1.284 174.205 175.510 -0.034 0.000 1.076 101 N CA 1.424 54.425 53.050 -0.081 0.000 0.696 101 N CB -1.490 36.854 38.487 -0.238 0.000 0.979 101 N HN 0.633 9.073 8.380 0.099 0.000 0.550 102 D N -1.031 119.401 120.400 0.053 0.000 2.545 102 D HA -0.002 4.635 4.640 -0.004 0.000 0.227 102 D C -1.633 174.580 176.300 -0.145 0.000 1.150 102 D CA 0.037 54.057 54.000 0.034 0.000 1.046 102 D CB -0.830 40.084 40.800 0.191 0.000 1.098 102 D HN -0.274 8.129 8.370 0.080 0.015 0.502 103 I N 2.074 122.498 120.570 -0.243 0.000 2.802 103 I HA 0.534 4.780 4.170 -0.128 -0.153 0.298 103 I C -3.098 172.982 176.117 -0.061 0.000 1.176 103 I CA -1.498 59.684 61.300 -0.196 0.000 1.025 103 I CB 4.145 41.890 38.000 -0.424 0.000 1.243 103 I HN -0.074 7.951 8.210 -0.248 0.036 0.424 104 M N 6.049 125.681 119.600 0.053 0.000 2.484 104 M HA 0.725 5.525 4.480 0.243 -0.174 0.289 104 M C -2.749 173.680 176.300 0.214 0.000 1.206 104 M CA -1.150 54.244 55.300 0.157 0.000 0.892 104 M CB 4.876 37.524 32.600 0.080 0.000 1.712 104 M HN 0.435 8.750 8.290 0.041 0.000 0.462 105 L N 2.674 124.061 121.223 0.274 0.000 2.346 105 L HA 0.852 5.505 4.340 0.254 -0.161 0.274 105 L C -1.450 175.613 176.870 0.322 0.000 1.007 105 L CA -1.459 53.556 54.840 0.292 0.000 0.818 105 L CB 3.543 45.751 42.059 0.247 0.000 1.284 105 L HN 0.344 8.757 8.230 0.305 0.000 0.424 106 I N 0.606 121.354 120.570 0.297 0.000 2.466 106 I HA 0.515 4.907 4.170 0.115 -0.154 0.289 106 I C -1.692 174.393 176.117 -0.055 0.000 1.026 106 I CA -1.331 60.043 61.300 0.123 0.000 1.078 106 I CB 3.188 41.224 38.000 0.061 0.000 1.249 106 I HN 0.993 9.300 8.210 0.327 0.100 0.429 107 K N 6.561 126.729 120.400 -0.386 0.000 2.156 107 K HA 0.566 4.195 4.320 -1.381 -0.138 0.271 107 K C -1.185 175.123 176.600 -0.486 0.000 0.995 107 K CA -1.672 54.021 56.287 -0.989 0.000 0.890 107 K CB 2.901 34.644 32.500 -1.261 0.000 1.073 107 K HN 0.751 8.858 8.250 -0.239 0.000 0.454 108 L N 4.268 125.236 121.223 -0.424 0.000 2.375 108 L HA 0.300 4.659 4.340 -0.170 -0.121 0.271 108 L C 1.859 178.609 176.870 -0.199 0.000 1.107 108 L CA -0.350 54.357 54.840 -0.222 0.000 0.806 108 L CB 0.549 42.521 42.059 -0.145 0.000 1.146 108 L HN 0.697 8.600 8.230 -0.546 0.000 0.447 109 K N 2.961 123.284 120.400 -0.128 0.000 2.057 109 K HA -0.318 3.938 4.320 -0.107 0.000 0.207 109 K C -0.364 176.188 176.600 -0.081 0.000 1.049 109 K CA 2.855 59.085 56.287 -0.095 0.000 0.931 109 K CB 0.443 32.906 32.500 -0.062 0.000 0.714 109 K HN 0.488 8.674 8.250 -0.106 0.000 0.440 110 S N -4.109 111.550 115.700 -0.068 0.000 2.599 110 S HA 0.149 4.590 4.470 -0.050 0.000 0.287 110 S C -1.641 172.931 174.600 -0.047 0.000 1.105 110 S CA -1.049 57.122 58.200 -0.048 0.000 0.899 110 S CB 2.825 66.008 63.200 -0.028 0.000 1.100 110 S HN -0.487 7.784 8.310 -0.065 0.000 0.482 111 A N 0.000 122.801 122.820 -0.032 0.000 2.386 111 A HA 0.106 4.541 4.320 -0.029 -0.132 0.248 111 A C -0.306 177.277 177.584 -0.003 0.000 1.082 111 A CA -0.403 51.624 52.037 -0.017 0.000 0.789 111 A CB 0.549 19.549 19.000 -0.001 0.000 1.025 111 A HN 0.205 8.340 8.150 -0.026 0.000 0.490 112 A N 0.669 123.494 122.820 0.009 0.000 2.322 112 A HA 0.191 4.600 4.320 0.014 -0.080 0.269 112 A C -0.558 177.039 177.584 0.021 0.000 1.094 112 A CA -1.273 50.776 52.037 0.019 0.000 0.807 112 A CB 1.416 20.435 19.000 0.033 0.000 1.047 112 A HN 0.403 8.451 8.150 0.012 0.109 0.487 113 S N 0.914 116.625 115.700 0.018 0.000 2.452 113 S HA 0.094 4.574 4.470 0.017 0.000 0.284 113 S C -0.594 174.021 174.600 0.024 0.000 1.171 113 S CA -0.356 57.854 58.200 0.016 0.000 1.064 113 S CB 0.619 63.824 63.200 0.008 0.000 0.967 113 S HN -0.004 8.649 8.310 0.016 -0.333 0.484 114 L N 5.794 127.034 121.223 0.028 0.000 2.379 114 L HA 0.260 4.740 4.340 0.040 -0.116 0.269 114 L C -0.500 176.388 176.870 0.029 0.000 1.084 114 L CA -0.375 54.486 54.840 0.036 0.000 0.802 114 L CB 0.882 42.966 42.059 0.043 0.000 1.175 114 L HN 0.213 8.459 8.230 0.027 0.000 0.448 115 N N 2.245 120.964 118.700 0.031 0.000 3.517 115 N HA 0.134 4.888 4.740 0.024 0.000 0.329 115 N C -1.401 174.127 175.510 0.030 0.000 1.569 115 N CA -0.596 52.469 53.050 0.025 0.000 0.852 115 N CB 1.075 39.573 38.487 0.018 0.000 1.955 115 N HN 0.577 8.869 8.380 0.038 0.110 0.555 116 S N -2.559 113.156 115.700 0.024 0.000 2.428 116 S HA -0.214 4.275 4.470 0.031 0.000 0.230 116 S C 0.622 175.236 174.600 0.025 0.000 1.014 116 S CA 2.512 60.728 58.200 0.026 0.000 0.957 116 S CB 0.009 63.221 63.200 0.020 0.000 0.784 116 S HN 0.054 8.376 8.310 0.020 0.000 0.499 117 R N -0.934 119.579 120.500 0.021 0.000 2.254 117 R HA 0.148 4.495 4.340 0.012 0.000 0.195 117 R C -1.099 175.215 176.300 0.024 0.000 0.957 117 R CA -0.075 56.035 56.100 0.018 0.000 1.024 117 R CB 0.949 31.259 30.300 0.017 0.000 0.952 117 R HN 0.002 8.531 8.270 0.020 -0.247 0.484 118 V N -1.239 118.696 119.914 0.034 0.000 2.419 118 V HA 0.250 4.578 4.120 0.048 -0.179 0.287 118 V C -2.254 173.876 176.094 0.061 0.000 1.017 118 V CA -0.923 61.405 62.300 0.048 0.000 0.844 118 V CB 2.429 34.280 31.823 0.046 0.000 1.011 118 V HN -0.299 8.018 8.190 0.033 -0.107 0.429 119 A N 6.862 129.733 122.820 0.086 0.000 2.556 119 A HA 0.634 5.005 4.320 0.084 0.000 0.294 119 A C -3.028 174.647 177.584 0.151 0.000 1.091 119 A CA -1.593 50.507 52.037 0.105 0.000 0.704 119 A CB 2.978 22.041 19.000 0.105 0.000 1.300 119 A HN 0.448 8.522 8.150 0.090 0.130 0.406 120 S N -1.498 114.278 115.700 0.126 0.000 2.672 120 S HA 0.459 5.160 4.470 0.167 -0.130 0.276 120 S C -0.647 174.010 174.600 0.095 0.000 1.207 120 S CA -0.993 57.283 58.200 0.128 0.000 1.002 120 S CB 1.623 64.877 63.200 0.091 0.000 0.998 120 S HN -0.013 8.356 8.310 0.097 0.000 0.542 121 I N 0.290 120.872 120.570 0.019 0.000 2.750 121 I HA 0.236 4.341 4.170 -0.107 0.000 0.308 121 I C -1.111 174.956 176.117 -0.083 0.000 1.016 121 I CA -1.643 59.572 61.300 -0.141 0.000 1.098 121 I CB 4.048 41.737 38.000 -0.519 0.000 1.279 121 I HN 0.182 8.417 8.210 0.042 0.000 0.454 122 S N 4.953 120.601 115.700 -0.087 0.000 2.610 122 S HA 0.249 4.703 4.470 -0.027 0.000 0.273 122 S C -0.793 173.779 174.600 -0.047 0.000 1.274 122 S CA -0.447 57.724 58.200 -0.048 0.000 1.023 122 S CB 0.948 64.125 63.200 -0.037 0.000 0.962 122 S HN 0.170 8.414 8.310 -0.111 0.000 0.523 123 L N 2.724 123.934 121.223 -0.022 0.000 2.375 123 L HA 0.184 4.524 4.340 -0.000 0.000 0.271 123 L C -1.242 175.625 176.870 -0.006 0.000 1.107 123 L CA -2.046 52.792 54.840 -0.003 0.000 0.806 123 L CB 0.191 42.256 42.059 0.010 0.000 1.146 123 L HN 0.240 8.460 8.230 -0.017 0.000 0.447 124 P HA 0.091 4.500 4.420 -0.018 0.000 0.274 124 P C -1.205 176.095 177.300 -0.001 0.000 1.246 124 P CA -0.569 62.526 63.100 -0.007 0.000 0.795 124 P CB 0.689 32.385 31.700 -0.008 0.000 1.006 128 c N 0.431 119.006 118.600 -0.041 0.000 2.500 128 c HA 0.100 4.632 4.570 -0.063 0.000 0.367 128 c C -0.036 173.996 174.090 -0.096 0.000 1.283 128 c CA -0.720 55.570 56.329 -0.065 0.000 2.456 128 c CB 0.537 43.014 42.510 -0.055 0.000 2.457 128 c HN -0.034 8.175 8.230 -0.035 0.000 0.632 129 A N 0.722 123.448 122.820 -0.156 0.000 2.282 129 A HA 0.124 4.371 4.320 -0.121 0.000 0.319 129 A C -0.989 176.493 177.584 -0.170 0.000 1.121 129 A CA -0.467 51.468 52.037 -0.169 0.000 0.836 129 A CB 1.358 20.220 19.000 -0.231 0.000 1.146 129 A HN 0.243 8.273 8.150 -0.200 0.000 0.494 133 G N 0.246 109.008 108.800 -0.063 0.000 2.284 133 G HA2 -0.376 3.551 3.960 -0.055 0.000 0.261 133 G HA3 -0.376 3.557 3.960 -0.045 0.000 0.261 133 G C 0.095 174.956 174.900 -0.064 0.000 0.997 133 G CA 0.436 45.502 45.100 -0.056 0.000 0.621 133 G HN 0.776 8.930 8.290 -0.063 0.099 0.534 134 T N 3.188 117.692 114.554 -0.083 0.000 2.928 134 T HA -0.185 4.127 4.350 -0.064 0.000 0.305 134 T C -1.101 173.553 174.700 -0.077 0.000 1.035 134 T CA 2.330 64.380 62.100 -0.084 0.000 1.145 134 T CB 0.773 69.572 68.868 -0.116 0.000 0.963 134 T HN -0.430 7.659 8.240 -0.097 0.092 0.545 135 Q N 5.712 125.481 119.800 -0.052 0.000 2.256 135 Q HA 0.159 4.584 4.340 -0.042 -0.111 0.254 135 Q C -0.971 175.010 176.000 -0.032 0.000 0.916 135 Q CA 0.179 55.962 55.803 -0.033 0.000 0.932 135 Q CB 1.399 30.134 28.738 -0.005 0.000 1.207 135 Q HN 0.211 8.454 8.270 -0.044 0.000 0.426 136 c N 3.542 122.125 118.600 -0.029 0.000 3.044 136 c HA 0.647 5.309 4.570 -0.019 -0.103 0.315 136 c C -1.873 172.221 174.090 0.007 0.000 1.320 136 c CA -1.526 54.788 56.329 -0.025 0.000 1.582 136 c CB 4.403 46.878 42.510 -0.058 0.000 2.039 136 c HN 0.775 8.876 8.230 -0.029 0.112 0.466 137 L N 1.011 122.245 121.223 0.018 0.000 2.305 137 L HA 0.888 5.441 4.340 0.047 -0.184 0.284 137 L C -2.111 174.771 176.870 0.020 0.000 1.013 137 L CA -1.326 53.538 54.840 0.040 0.000 0.819 137 L CB 3.139 45.245 42.059 0.078 0.000 1.227 137 L HN 0.717 8.846 8.230 0.012 0.109 0.417 138 I N 7.978 128.544 120.570 -0.007 0.000 2.433 138 I HA 0.805 5.197 4.170 -0.000 -0.222 0.292 138 I C -1.266 174.815 176.117 -0.061 0.000 1.001 138 I CA -1.388 59.900 61.300 -0.020 0.000 1.119 138 I CB 2.111 40.096 38.000 -0.025 0.000 1.289 138 I HN 0.973 9.182 8.210 -0.003 0.000 0.438 139 S N 3.242 118.900 115.700 -0.070 0.000 2.661 139 S HA 1.031 5.521 4.470 -0.225 -0.155 0.285 139 S C -1.028 173.455 174.600 -0.195 0.000 1.138 139 S CA -1.972 56.115 58.200 -0.188 0.000 0.855 139 S CB 3.770 66.823 63.200 -0.245 0.000 1.136 139 S HN -0.233 8.067 8.310 -0.017 0.000 0.484 140 G N -1.498 107.086 108.800 -0.360 0.000 2.352 140 G HA2 0.061 3.747 3.960 -0.457 0.000 0.302 140 G HA3 0.061 4.105 3.960 -0.063 -0.121 0.302 140 G C -1.929 172.751 174.900 -0.367 0.000 1.370 140 G CA 0.318 45.225 45.100 -0.322 0.000 0.918 140 G HN 0.230 8.243 8.290 -0.461 0.000 0.610 141 W N 1.333 122.577 121.300 -0.093 0.000 3.151 141 W HA 0.319 4.926 4.660 -0.089 0.000 0.424 141 W C -0.074 176.485 176.519 0.066 0.000 1.012 141 W CA -0.900 56.359 57.345 -0.143 0.000 2.018 141 W CB -0.142 29.013 29.460 -0.509 0.000 1.087 141 W HN 0.577 8.918 8.180 0.268 0.000 0.740 142 G N 0.791 109.768 108.800 0.295 0.000 2.616 142 G HA2 -0.049 4.277 3.960 0.578 0.000 0.268 142 G HA3 -0.049 4.241 3.960 0.280 -0.162 0.268 142 G C -0.837 174.163 174.900 0.168 0.000 1.213 142 G CA -0.782 44.529 45.100 0.352 0.000 0.926 142 G HN -0.517 8.013 8.290 0.183 -0.130 0.523 143 N N -0.755 117.934 118.700 -0.018 0.000 2.292 143 N HA -0.365 4.073 4.740 -0.785 -0.169 0.242 143 N C 0.493 175.908 175.510 -0.160 0.000 1.243 143 N CA 1.254 54.064 53.050 -0.400 0.000 0.851 143 N CB 0.821 39.064 38.487 -0.406 0.000 1.093 143 N HN 0.176 8.655 8.380 0.164 0.000 0.450 144 T N -1.538 112.916 114.554 -0.167 0.000 3.044 144 T HA 0.281 4.718 4.350 -0.055 -0.119 0.260 144 T C 0.278 174.937 174.700 -0.069 0.000 1.019 144 T CA 0.121 62.173 62.100 -0.080 0.000 0.921 144 T CB 1.284 70.120 68.868 -0.054 0.000 1.053 144 T HN 0.083 8.177 8.240 -0.243 0.000 0.533 145 K N 2.436 122.779 120.400 -0.095 0.000 2.259 145 K HA 0.302 4.598 4.320 -0.040 0.000 0.249 145 K C -0.352 176.221 176.600 -0.044 0.000 0.942 145 K CA -1.138 55.113 56.287 -0.059 0.000 0.816 145 K CB 2.692 35.155 32.500 -0.062 0.000 1.155 145 K HN -0.467 7.962 8.250 -0.151 -0.269 0.428 146 S N -0.016 115.673 115.700 -0.019 0.000 2.439 146 S HA -0.045 4.427 4.470 0.002 0.000 0.224 146 S C -0.047 174.555 174.600 0.002 0.000 1.029 146 S CA 1.607 59.806 58.200 -0.001 0.000 0.946 146 S CB 1.027 64.232 63.200 0.009 0.000 0.797 146 S HN 0.119 8.419 8.310 -0.016 0.000 0.504 147 S N 1.968 117.666 115.700 -0.003 0.000 2.426 147 S HA 0.189 4.664 4.470 0.009 0.000 0.236 147 S C -0.787 173.810 174.600 -0.004 0.000 1.368 147 S CA -0.274 57.927 58.200 0.002 0.000 1.154 147 S CB -0.337 62.865 63.200 0.005 0.000 1.037 147 S HN -0.474 7.832 8.310 -0.008 0.000 0.481 148 G N 1.689 110.486 108.800 -0.005 0.000 2.371 148 G HA2 -0.188 3.777 3.960 0.008 0.000 0.663 148 G HA3 -0.188 3.768 3.960 -0.008 0.000 0.663 148 G C -2.736 172.143 174.900 -0.034 0.000 1.311 148 G CA -0.742 44.354 45.100 -0.007 0.000 0.985 148 G HN -0.337 7.952 8.290 -0.001 0.000 0.566 149 T N -3.811 110.725 114.554 -0.031 0.000 2.809 149 T HA 0.114 4.485 4.350 -0.221 -0.154 0.284 149 T C -1.390 173.233 174.700 -0.130 0.000 0.992 149 T CA -1.278 60.757 62.100 -0.108 0.000 0.957 149 T CB 1.738 70.641 68.868 0.059 0.000 0.942 149 T HN -0.166 8.074 8.240 0.000 0.000 0.439 150 S N 4.784 120.319 115.700 -0.276 0.000 2.779 150 S HA 0.250 4.714 4.470 -0.010 0.000 0.293 150 S C -2.067 172.395 174.600 -0.230 0.000 1.150 150 S CA -0.725 57.400 58.200 -0.127 0.000 1.057 150 S CB 1.181 64.337 63.200 -0.073 0.000 1.021 150 S HN 0.728 9.210 8.310 -0.431 -0.431 0.485 151 Y N 5.503 125.843 120.300 0.066 0.000 2.342 151 Y HA 0.204 4.809 4.550 0.092 0.000 0.334 151 Y C -0.904 175.044 175.900 0.080 0.000 1.067 151 Y CA -2.666 55.486 58.100 0.086 0.000 1.128 151 Y CB 0.982 39.505 38.460 0.105 0.000 1.200 151 Y HN 0.087 8.521 8.280 0.256 0.000 0.464 152 P HA 0.264 4.759 4.420 0.126 0.000 0.278 152 P C -1.600 175.825 177.300 0.209 0.000 1.266 152 P CA -1.073 62.127 63.100 0.167 0.000 0.807 152 P CB 1.873 33.643 31.700 0.117 0.000 1.094 153 D N -2.767 117.734 120.400 0.168 0.000 2.323 153 D HA -0.005 4.707 4.640 0.120 0.000 0.218 153 D C -0.767 175.684 176.300 0.251 0.000 0.973 153 D CA 1.717 55.809 54.000 0.153 0.000 0.890 153 D CB 0.921 41.779 40.800 0.096 0.000 1.011 153 D HN 0.408 8.857 8.370 0.132 0.000 0.499 154 V N -7.814 112.238 119.914 0.231 0.000 3.093 154 V HA 0.682 5.217 4.120 0.405 -0.171 0.320 154 V C -0.815 175.325 176.094 0.077 0.000 1.093 154 V CA -2.968 59.480 62.300 0.247 0.000 1.016 154 V CB 2.242 34.130 31.823 0.109 0.000 1.096 154 V HN -0.941 7.344 8.190 0.158 0.000 0.452 155 L N 0.708 121.842 121.223 -0.149 0.000 2.453 155 L HA -0.025 3.531 4.340 -1.306 0.000 0.272 155 L C -0.267 176.347 176.870 -0.425 0.000 1.182 155 L CA 0.741 55.157 54.840 -0.707 0.000 0.858 155 L CB 0.841 42.455 42.059 -0.743 0.000 1.120 155 L HN -0.119 8.319 8.230 0.045 -0.181 0.474 156 K N 5.002 125.126 120.400 -0.460 0.000 2.208 156 K HA 0.640 4.917 4.320 -0.328 -0.154 0.247 156 K C -1.213 175.131 176.600 -0.427 0.000 0.953 156 K CA -2.516 53.558 56.287 -0.354 0.000 0.837 156 K CB 2.629 34.986 32.500 -0.238 0.000 1.131 156 K HN -0.295 7.603 8.250 -0.587 0.000 0.431 157 c N -0.823 117.426 118.600 -0.585 0.000 2.707 157 c HA 0.953 5.457 4.570 -0.403 -0.175 0.313 157 c C -1.776 171.947 174.090 -0.613 0.000 1.209 157 c CA -0.717 55.213 56.329 -0.665 0.000 1.635 157 c CB 3.598 45.562 42.510 -0.909 0.000 2.206 157 c HN 0.759 8.580 8.230 -0.682 0.000 0.485 158 L N 0.220 121.292 121.223 -0.252 0.000 2.513 158 L HA 0.372 4.749 4.340 0.062 0.000 0.261 158 L C -2.549 174.380 176.870 0.099 0.000 0.945 158 L CA 0.129 54.964 54.840 -0.008 0.000 0.848 158 L CB 4.480 46.554 42.059 0.025 0.000 1.334 158 L HN 0.788 8.907 8.230 -0.185 0.000 0.407 159 K N 5.466 125.989 120.400 0.204 0.000 2.185 159 K HA 0.868 5.464 4.320 0.121 -0.204 0.269 159 K C -1.053 175.673 176.600 0.209 0.000 0.987 159 K CA -1.512 54.880 56.287 0.176 0.000 0.865 159 K CB 1.323 33.933 32.500 0.184 0.000 1.090 159 K HN 0.338 8.741 8.250 0.254 0.000 0.450 160 A N 4.008 126.887 122.820 0.098 0.000 2.520 160 A HA 0.659 4.978 4.320 -0.002 0.000 0.298 160 A C -3.365 174.154 177.584 -0.108 0.000 1.051 160 A CA -2.604 49.428 52.037 -0.009 0.000 0.690 160 A CB 3.115 22.118 19.000 0.005 0.000 1.281 160 A HN 0.994 9.065 8.150 0.047 0.107 0.402 161 P HA 0.737 5.309 4.420 -0.100 -0.213 0.282 161 P C -0.992 176.241 177.300 -0.112 0.000 1.259 161 P CA -1.437 61.577 63.100 -0.144 0.000 0.826 161 P CB 1.577 33.189 31.700 -0.146 0.000 1.064 162 I N -0.062 120.457 120.570 -0.086 0.000 2.441 162 I HA -0.045 4.273 4.170 0.069 -0.107 0.287 162 I C 0.051 176.155 176.117 -0.021 0.000 1.049 162 I CA 0.422 61.698 61.300 -0.040 0.000 1.381 162 I CB 0.210 38.101 38.000 -0.182 0.000 1.409 162 I HN 0.118 8.267 8.210 -0.102 0.000 0.523 163 L N 6.712 127.960 121.223 0.040 0.000 2.454 163 L HA 0.219 4.550 4.340 -0.015 0.000 0.256 163 L C -0.225 176.663 176.870 0.030 0.000 1.136 163 L CA -0.828 54.023 54.840 0.019 0.000 0.804 163 L CB 0.645 42.724 42.059 0.034 0.000 1.181 163 L HN 0.493 8.678 8.230 0.120 0.117 0.469 164 S N -1.585 114.126 115.700 0.018 0.000 2.603 164 S HA 0.014 4.491 4.470 0.012 0.000 0.268 164 S C 0.367 174.992 174.600 0.042 0.000 1.317 164 S CA -0.724 57.488 58.200 0.020 0.000 1.012 164 S CB 1.412 64.617 63.200 0.009 0.000 0.926 164 S HN -0.051 8.264 8.310 0.009 0.000 0.539 165 D N 1.588 122.014 120.400 0.043 0.000 2.178 165 D HA -0.221 4.468 4.640 0.082 0.000 0.201 165 D C 1.502 177.833 176.300 0.051 0.000 0.980 165 D CA 3.542 57.578 54.000 0.059 0.000 0.842 165 D CB -0.484 40.347 40.800 0.051 0.000 0.948 165 D HN 0.599 8.987 8.370 0.030 0.000 0.472 166 S N -1.448 114.272 115.700 0.035 0.000 2.383 166 S HA -0.265 4.225 4.470 0.032 0.000 0.227 166 S C 2.059 176.675 174.600 0.026 0.000 1.026 166 S CA 3.213 61.430 58.200 0.028 0.000 0.981 166 S CB -0.762 62.449 63.200 0.018 0.000 0.818 166 S HN 0.024 8.338 8.310 0.028 0.014 0.472 167 S N 3.763 119.477 115.700 0.023 0.000 2.371 167 S HA -0.220 4.251 4.470 0.003 0.000 0.224 167 S C 1.781 176.392 174.600 0.019 0.000 1.029 167 S CA 4.134 62.341 58.200 0.012 0.000 0.978 167 S CB -0.068 63.137 63.200 0.008 0.000 0.833 167 S HN -0.521 7.720 8.310 0.024 0.083 0.466 168 c N 3.383 122.014 118.600 0.052 0.000 2.413 168 c HA -0.341 4.281 4.570 0.088 0.000 0.277 168 c C 1.742 175.898 174.090 0.111 0.000 1.228 168 c CA 2.885 59.270 56.329 0.095 0.000 1.731 168 c CB -1.681 40.904 42.510 0.124 0.000 2.042 168 c HN -0.032 8.231 8.230 0.056 0.000 0.468 169 K N -1.219 119.239 120.400 0.098 0.000 2.147 169 K HA -0.350 4.060 4.320 0.149 0.000 0.205 169 K C 2.472 179.110 176.600 0.063 0.000 1.049 169 K CA 2.942 59.290 56.287 0.101 0.000 0.936 169 K CB -0.336 32.211 32.500 0.078 0.000 0.722 169 K HN -0.088 8.212 8.250 0.084 0.000 0.446 170 S N -2.517 113.199 115.700 0.027 0.000 2.423 170 S HA -0.205 4.269 4.470 0.007 0.000 0.231 170 S C 0.904 175.475 174.600 -0.049 0.000 1.014 170 S CA 2.413 60.610 58.200 -0.004 0.000 0.965 170 S CB 0.029 63.223 63.200 -0.009 0.000 0.785 170 S HN -0.478 7.742 8.310 0.028 0.108 0.495 171 A N -0.217 122.543 122.820 -0.100 0.000 1.935 171 A HA -0.041 4.127 4.320 -0.254 0.000 0.214 171 A C -0.187 177.134 177.584 -0.439 0.000 1.178 171 A CA 1.736 53.586 52.037 -0.312 0.000 0.640 171 A CB 1.058 19.789 19.000 -0.449 0.000 0.825 171 A HN -0.638 7.337 8.150 -0.053 0.144 0.447 172 Y N -5.195 115.143 120.300 0.064 0.000 2.553 172 Y HA 0.513 5.137 4.550 0.124 0.000 0.369 172 Y C -2.386 173.576 175.900 0.104 0.000 0.964 172 Y CA -3.742 54.429 58.100 0.120 0.000 1.156 172 Y CB -0.339 38.241 38.460 0.200 0.000 1.218 172 Y HN -0.269 8.037 8.280 0.043 0.000 0.630 173 P HA -0.075 4.523 4.420 0.107 -0.114 0.264 173 P C 0.746 178.114 177.300 0.115 0.000 1.193 173 P CA 1.261 64.428 63.100 0.112 0.000 0.763 173 P CB 0.100 31.838 31.700 0.064 0.000 0.810 174 G N 3.611 112.469 108.800 0.097 0.000 2.184 174 G HA2 -0.376 3.617 3.960 0.056 0.000 0.264 174 G HA3 -0.376 3.616 3.960 0.054 0.000 0.264 174 G C 0.080 175.026 174.900 0.077 0.000 0.975 174 G CA 0.685 45.827 45.100 0.070 0.000 0.642 174 G HN 0.327 8.673 8.290 0.094 0.000 0.536 175 Q N -1.857 118.025 119.800 0.138 0.000 2.217 175 Q HA 0.085 4.447 4.340 0.037 0.000 0.217 175 Q C -0.533 175.588 176.000 0.201 0.000 0.844 175 Q CA -0.407 55.474 55.803 0.130 0.000 0.957 175 Q CB 1.357 30.191 28.738 0.160 0.000 1.127 175 Q HN -0.209 8.093 8.270 0.187 0.080 0.503 176 I N 0.383 121.073 120.570 0.200 0.000 2.331 176 I HA 0.048 4.361 4.170 0.238 0.000 0.292 176 I C -0.391 175.801 176.117 0.125 0.000 0.998 176 I CA -2.233 59.180 61.300 0.189 0.000 1.267 176 I CB -0.851 37.256 38.000 0.178 0.000 1.386 176 I HN -0.471 7.846 8.210 0.179 0.000 0.476 177 T N 2.403 117.027 114.554 0.116 0.000 2.893 177 T HA 0.374 4.762 4.350 0.064 0.000 0.279 177 T C 0.800 175.549 174.700 0.081 0.000 0.991 177 T CA -2.086 60.061 62.100 0.078 0.000 0.950 177 T CB 2.238 71.143 68.868 0.061 0.000 1.223 177 T HN -0.417 7.908 8.240 0.142 0.000 0.585 178 S N -2.497 113.236 115.700 0.056 0.000 2.603 178 S HA -0.189 4.319 4.470 0.064 0.000 0.229 178 S C -0.047 174.591 174.600 0.064 0.000 0.972 178 S CA 1.706 59.937 58.200 0.051 0.000 0.935 178 S CB -0.191 63.020 63.200 0.019 0.000 0.769 178 S HN 0.247 8.581 8.310 0.039 0.000 0.536 179 N N 0.203 118.953 118.700 0.083 0.000 2.238 179 N HA 0.143 4.947 4.740 0.106 0.000 0.222 179 N C -1.831 173.789 175.510 0.183 0.000 1.133 179 N CA -0.447 52.682 53.050 0.131 0.000 0.854 179 N CB 0.961 39.542 38.487 0.157 0.000 1.041 179 N HN -0.572 7.768 8.380 0.080 0.088 0.510 180 M N -1.042 118.654 119.600 0.159 0.000 2.619 180 M HA 0.909 5.666 4.480 0.071 -0.235 0.297 180 M C -2.361 174.044 176.300 0.175 0.000 1.229 180 M CA -0.418 54.950 55.300 0.113 0.000 0.860 180 M CB 5.195 37.848 32.600 0.089 0.000 1.741 180 M HN -0.780 7.507 8.290 0.144 0.089 0.462 181 F N -6.175 113.823 119.950 0.079 0.000 2.668 181 F HA 0.602 5.164 4.527 0.059 0.000 0.309 181 F C -2.914 172.943 175.800 0.096 0.000 1.117 181 F CA -1.578 56.468 58.000 0.076 0.000 0.951 181 F CB 2.285 41.327 39.000 0.071 0.000 1.323 181 F HN 0.047 8.199 8.300 -0.247 0.000 0.451 182 c N -0.307 118.468 118.600 0.292 0.000 2.435 182 c HA 0.935 5.744 4.570 0.091 -0.184 0.333 182 c C -1.145 173.153 174.090 0.347 0.000 1.202 182 c CA -1.034 55.416 56.329 0.202 0.000 1.830 182 c CB 2.955 45.545 42.510 0.133 0.000 2.326 182 c HN 0.909 9.344 8.230 0.343 0.000 0.507 183 A N 3.224 126.236 122.820 0.319 0.000 2.499 183 A HA 0.751 5.309 4.320 0.105 -0.175 0.280 183 A C -2.137 175.499 177.584 0.088 0.000 1.135 183 A CA -0.632 51.502 52.037 0.162 0.000 0.744 183 A CB 2.595 21.605 19.000 0.017 0.000 1.213 183 A HN 0.307 8.682 8.150 0.375 0.000 0.434 184 Y N 3.022 123.353 120.300 0.052 0.000 2.425 184 Y HA 0.097 4.665 4.550 0.031 0.000 0.347 184 Y C 0.940 176.855 175.900 0.025 0.000 0.976 184 Y CA -0.421 57.700 58.100 0.034 0.000 1.190 184 Y CB 0.315 38.793 38.460 0.031 0.000 1.136 184 Y HN 0.320 8.718 8.280 0.197 0.000 0.517 185 L N 3.845 125.132 121.223 0.107 0.000 2.362 185 L HA -0.319 4.047 4.340 0.043 0.000 0.219 185 L C 1.025 177.937 176.870 0.070 0.000 1.134 185 L CA 2.157 57.033 54.840 0.060 0.000 0.807 185 L CB -0.451 41.623 42.059 0.025 0.000 0.927 185 L HN 0.528 8.802 8.230 0.073 0.000 0.447 186 E N -2.236 118.026 120.200 0.104 0.000 2.427 186 E HA -0.099 4.279 4.350 0.047 0.000 0.196 186 E C 0.791 177.427 176.600 0.060 0.000 1.028 186 E CA 0.142 56.584 56.400 0.069 0.000 0.864 186 E CB -0.357 29.381 29.700 0.064 0.000 0.813 186 E HN 0.066 8.468 8.360 0.155 0.051 0.514 187 G N 0.914 109.767 108.800 0.089 0.000 3.439 187 G HA2 -0.378 3.634 3.960 0.086 0.000 0.684 187 G HA3 -0.378 3.637 3.960 0.046 -0.028 0.684 187 G C -0.858 174.067 174.900 0.041 0.000 1.005 187 G CA -0.201 44.940 45.100 0.068 0.000 0.837 187 G HN -0.439 7.760 8.290 0.135 0.171 0.470 188 K N 1.448 121.843 120.400 -0.009 0.000 6.729 188 K HA -0.604 3.952 4.320 -0.003 -0.238 0.698 188 K C -1.359 175.329 176.600 0.147 0.000 2.405 188 K CA 0.518 56.810 56.287 0.009 0.000 1.737 188 K CB -0.133 32.258 32.500 -0.181 0.000 1.870 188 K HN 0.156 8.425 8.250 0.031 0.000 0.294 189 D N 0.415 120.888 120.400 0.120 0.000 2.769 189 D HA 0.294 5.054 4.640 0.201 0.000 0.309 189 D C -1.900 174.470 176.300 0.116 0.000 1.315 189 D CA -0.623 53.466 54.000 0.148 0.000 0.780 189 D CB 4.324 45.197 40.800 0.121 0.000 1.312 189 D HN 0.127 8.542 8.370 0.076 0.000 0.437 190 S N -1.872 113.912 115.700 0.140 0.000 2.707 190 S HA 0.390 4.985 4.470 0.096 -0.068 0.276 190 S C -1.351 173.304 174.600 0.091 0.000 1.179 190 S CA -0.670 57.605 58.200 0.125 0.000 0.992 190 S CB 1.892 65.213 63.200 0.201 0.000 1.030 190 S HN 0.270 8.683 8.310 0.172 0.000 0.554 191 c N -1.890 116.767 118.600 0.095 0.000 3.266 191 c HA 0.228 4.846 4.570 0.079 0.000 0.369 191 c C -1.661 172.513 174.090 0.140 0.000 1.580 191 c CA -0.480 55.904 56.329 0.091 0.000 1.165 191 c CB 2.672 45.216 42.510 0.057 0.000 1.835 191 c HN 0.273 8.833 8.230 0.111 -0.264 0.433 192 Q N 1.969 121.863 119.800 0.156 0.000 2.286 192 Q HA -0.322 4.151 4.340 0.222 0.000 0.290 192 Q C 0.801 177.005 176.000 0.339 0.000 1.049 192 Q CA 2.090 58.033 55.803 0.234 0.000 0.923 192 Q CB 0.573 29.456 28.738 0.242 0.000 1.183 192 Q HN 0.469 8.811 8.270 0.120 0.000 0.383 193 G N 6.186 115.185 108.800 0.332 0.000 2.259 193 G HA2 -0.405 3.745 3.960 0.315 0.000 0.217 193 G HA3 -0.405 3.891 3.960 0.559 0.000 0.217 193 G C 0.596 175.732 174.900 0.393 0.000 1.001 193 G CA 0.961 46.307 45.100 0.411 0.000 0.627 193 G HN 0.820 9.276 8.290 0.275 0.000 0.501 194 D N 2.035 122.602 120.400 0.278 0.000 2.271 194 D HA 0.064 4.853 4.640 0.248 0.000 0.206 194 D C 0.291 176.696 176.300 0.175 0.000 0.967 194 D CA 1.312 55.443 54.000 0.218 0.000 0.867 194 D CB 0.690 41.585 40.800 0.158 0.000 0.960 194 D HN 0.140 8.561 8.370 0.252 0.100 0.509 195 S N -0.333 115.467 115.700 0.168 0.000 2.643 195 S HA -0.625 4.074 4.470 0.142 -0.144 0.310 195 S C 0.977 175.601 174.600 0.039 0.000 1.253 195 S CA 2.506 60.783 58.200 0.128 0.000 1.047 195 S CB 0.018 63.330 63.200 0.186 0.000 0.767 195 S HN -0.626 7.800 8.310 0.194 0.000 0.498 196 G N 4.595 113.403 108.800 0.013 0.000 2.284 196 G HA2 -0.459 3.557 3.960 -0.033 0.000 0.247 196 G HA3 -0.459 3.576 3.960 -0.060 -0.111 0.247 196 G C -0.109 174.823 174.900 0.054 0.000 1.012 196 G CA 0.192 45.284 45.100 -0.014 0.000 0.618 196 G HN 0.838 9.049 8.290 0.047 0.106 0.521 197 G N 0.898 109.755 108.800 0.096 0.000 2.563 197 G HA2 0.434 4.532 3.960 0.119 0.000 0.283 197 G HA3 0.434 4.468 3.960 0.122 0.000 0.283 197 G C -2.761 172.218 174.900 0.131 0.000 1.309 197 G CA -1.983 43.188 45.100 0.119 0.000 1.022 197 G HN 0.003 8.184 8.290 0.106 0.173 0.501 198 P HA 0.421 5.032 4.420 0.118 -0.120 0.284 198 P C -1.656 175.700 177.300 0.093 0.000 1.258 198 P CA -1.009 62.173 63.100 0.138 0.000 0.824 198 P CB 1.799 33.635 31.700 0.226 0.000 1.038 199 V N 2.102 122.051 119.914 0.058 0.000 2.447 199 V HA 0.246 4.505 4.120 -0.026 -0.155 0.292 199 V C -1.345 174.755 176.094 0.009 0.000 1.021 199 V CA -0.443 61.856 62.300 -0.002 0.000 0.850 199 V CB 1.980 33.783 31.823 -0.033 0.000 1.005 199 V HN -0.204 8.027 8.190 0.068 0.000 0.426 200 V N 8.122 128.032 119.914 -0.006 0.000 2.459 200 V HA 0.653 4.912 4.120 -0.073 -0.183 0.295 200 V C -1.397 174.675 176.094 -0.037 0.000 1.029 200 V CA -1.322 60.949 62.300 -0.049 0.000 0.874 200 V CB 3.330 35.104 31.823 -0.080 0.000 0.985 200 V HN 0.463 8.662 8.190 0.015 0.000 0.438 201 c N 6.997 125.563 118.600 -0.056 0.000 2.482 201 c HA 0.570 5.116 4.570 -0.040 0.000 0.317 201 c C 0.125 174.184 174.090 -0.051 0.000 1.197 201 c CA -1.312 54.984 56.329 -0.055 0.000 1.432 201 c CB 2.285 44.743 42.510 -0.087 0.000 2.062 201 c HN 0.861 9.050 8.230 -0.068 0.000 0.471 202 S N 5.300 120.979 115.700 -0.035 0.000 3.491 202 S HA -0.352 4.108 4.470 -0.017 0.000 0.371 202 S C 0.343 174.924 174.600 -0.032 0.000 0.980 202 S CA 1.033 59.216 58.200 -0.028 0.000 1.204 202 S CB -1.333 61.846 63.200 -0.034 0.000 0.915 202 S HN 1.131 9.425 8.310 -0.027 0.000 0.482 203 G N -5.001 103.778 108.800 -0.035 0.000 2.168 203 G HA2 -0.356 3.572 3.960 -0.053 0.000 0.257 203 G HA3 -0.356 3.585 3.960 -0.032 0.000 0.257 203 G C -0.746 174.105 174.900 -0.083 0.000 0.997 203 G CA 0.515 45.584 45.100 -0.051 0.000 0.708 203 G HN 0.301 8.566 8.290 -0.026 0.009 0.520 210 Q N 1.247 121.066 119.800 0.030 0.000 2.378 210 Q HA 0.223 4.602 4.340 0.064 0.000 0.229 210 Q C -0.281 175.884 176.000 0.275 0.000 0.882 210 Q CA 0.052 55.898 55.803 0.072 0.000 0.936 210 Q CB 2.972 31.670 28.738 -0.067 0.000 1.092 210 Q HN 0.509 8.787 8.270 0.014 0.000 0.535 211 G N -2.891 106.083 108.800 0.289 0.000 2.694 211 G HA2 0.618 5.068 3.960 0.409 0.000 0.290 211 G HA3 0.618 4.851 3.960 0.455 0.000 0.290 211 G C -3.283 171.733 174.900 0.194 0.000 1.386 211 G CA -0.745 44.570 45.100 0.358 0.000 0.872 211 G HN -0.285 8.107 8.290 0.171 0.000 0.475 212 I N -1.162 119.518 120.570 0.183 0.000 2.466 212 I HA 0.540 5.015 4.170 0.151 -0.214 0.289 212 I C -0.406 175.846 176.117 0.224 0.000 1.026 212 I CA -1.383 60.011 61.300 0.157 0.000 1.078 212 I CB 4.167 42.220 38.000 0.088 0.000 1.249 212 I HN -0.410 7.977 8.210 0.164 -0.078 0.429 213 V N 7.569 127.635 119.914 0.254 0.000 2.493 213 V HA -0.216 4.058 4.120 0.256 0.000 0.292 213 V C -1.126 175.005 176.094 0.062 0.000 1.016 213 V CA 2.138 64.564 62.300 0.211 0.000 1.097 213 V CB -1.093 30.862 31.823 0.220 0.000 0.947 213 V HN 0.374 8.688 8.190 0.207 0.000 0.479 214 S N 7.457 123.089 115.700 -0.114 0.000 3.142 214 S HA 0.377 5.054 4.470 0.346 0.000 0.223 214 S C -1.521 173.165 174.600 0.143 0.000 0.939 214 S CA 1.129 59.398 58.200 0.114 0.000 0.826 214 S CB 2.552 65.807 63.200 0.093 0.000 0.823 214 S HN -0.146 7.882 8.310 -0.470 0.000 0.612 215 W N -4.657 116.483 121.300 -0.266 0.000 2.923 215 W HA 0.240 4.799 4.660 -0.168 0.000 0.373 215 W C -2.783 173.561 176.519 -0.293 0.000 1.205 215 W CA -0.681 56.518 57.345 -0.242 0.000 1.180 215 W CB 1.297 30.605 29.460 -0.254 0.000 1.477 215 W HN -0.221 7.563 8.180 -0.660 0.000 0.581 216 G N -3.427 105.393 108.800 0.034 0.000 2.356 216 G HA2 0.066 3.650 3.960 -0.626 0.000 0.294 216 G HA3 0.066 3.918 3.960 -0.180 0.000 0.294 216 G C -2.109 172.908 174.900 0.195 0.000 1.423 216 G CA 0.216 45.226 45.100 -0.149 0.000 0.806 216 G HN -0.055 8.435 8.290 0.333 0.000 0.527 220 c N 1.984 120.621 118.600 0.061 0.000 3.471 220 c HA 0.320 5.071 4.570 0.061 -0.144 0.191 220 c C -1.468 172.652 174.090 0.051 0.000 1.480 220 c CA -0.828 55.534 56.329 0.055 0.000 1.281 220 c CB -1.268 41.269 42.510 0.044 0.000 1.898 220 c HN 0.321 8.583 8.230 0.054 0.000 0.533 221 Q N -1.600 118.232 119.800 0.054 0.000 2.889 221 Q HA 0.138 4.499 4.340 0.034 0.000 0.262 221 Q C -1.402 174.620 176.000 0.037 0.000 0.966 221 Q CA -0.625 55.203 55.803 0.041 0.000 0.858 221 Q CB 2.562 31.327 28.738 0.044 0.000 1.845 221 Q HN 0.187 8.495 8.270 0.063 0.000 0.464 222 K N 3.400 123.815 120.400 0.025 0.000 2.436 222 K HA -0.245 4.213 4.320 0.031 -0.119 0.275 222 K C 0.270 176.867 176.600 -0.004 0.000 0.999 222 K CA 0.652 56.950 56.287 0.018 0.000 0.980 222 K CB 0.098 32.606 32.500 0.013 0.000 0.919 222 K HN 0.243 8.506 8.250 0.022 0.000 0.484 223 N N 1.746 120.439 118.700 -0.012 0.000 2.732 223 N HA -0.473 4.238 4.740 -0.049 0.000 0.250 223 N C -1.594 173.840 175.510 -0.127 0.000 1.097 223 N CA 1.901 54.915 53.050 -0.059 0.000 0.812 223 N CB -0.396 38.051 38.487 -0.066 0.000 1.148 223 N HN 0.713 8.976 8.380 0.008 0.122 0.572 224 K N -2.271 118.084 120.400 -0.075 0.000 2.762 224 K HA 0.535 4.651 4.320 -0.340 0.000 0.180 224 K C -2.238 174.399 176.600 0.061 0.000 1.067 224 K CA -3.471 52.765 56.287 -0.085 0.000 0.973 224 K CB -0.224 32.286 32.500 0.017 0.000 1.290 224 K HN -0.774 7.395 8.250 -0.017 0.071 0.604 225 P HA -0.056 4.422 4.420 0.095 0.000 0.275 225 P C -0.724 176.620 177.300 0.073 0.000 1.270 225 P CA -0.364 62.794 63.100 0.097 0.000 0.791 225 P CB 1.138 32.886 31.700 0.079 0.000 1.089 226 G N -2.927 105.878 108.800 0.008 0.000 2.476 226 G HA2 0.464 4.184 3.960 -0.399 0.000 0.286 226 G HA3 0.464 4.242 3.960 -0.302 0.000 0.286 226 G C -1.897 172.640 174.900 -0.605 0.000 1.177 226 G CA -1.008 43.895 45.100 -0.329 0.000 0.870 226 G HN -0.441 7.925 8.290 0.126 0.000 0.528 227 V N 0.926 120.131 119.914 -1.181 0.000 2.604 227 V HA 0.742 4.623 4.120 -0.701 -0.182 0.305 227 V C -1.026 174.260 176.094 -1.347 0.000 1.043 227 V CA -1.266 60.340 62.300 -1.156 0.000 0.888 227 V CB 2.705 33.479 31.823 -1.748 0.000 0.995 227 V HN 0.398 7.835 8.190 -1.256 0.000 0.429 228 Y N 4.518 124.412 120.300 -0.675 0.000 2.524 228 Y HA 0.598 5.065 4.550 -0.380 -0.144 0.344 228 Y C 0.153 175.766 175.900 -0.479 0.000 1.012 228 Y CA -2.294 55.417 58.100 -0.648 0.000 1.068 228 Y CB 3.732 41.536 38.460 -1.093 0.000 1.249 228 Y HN 0.965 8.845 8.280 -0.667 0.000 0.468 229 T N 4.519 119.031 114.554 -0.070 0.000 2.851 229 T HA 0.064 4.635 4.350 0.089 -0.168 0.298 229 T C -0.672 174.148 174.700 0.200 0.000 0.977 229 T CA 1.268 63.410 62.100 0.070 0.000 1.126 229 T CB 0.541 69.439 68.868 0.050 0.000 0.916 229 T HN 0.337 8.570 8.240 -0.012 0.000 0.529 230 K N 8.343 128.941 120.400 0.329 0.000 2.171 230 K HA 0.100 4.817 4.320 0.663 0.000 0.274 230 K C 0.972 177.819 176.600 0.411 0.000 1.110 230 K CA -0.530 56.032 56.287 0.457 0.000 0.952 230 K CB -0.299 32.425 32.500 0.372 0.000 1.309 230 K HN 0.276 8.592 8.250 0.296 0.111 0.414 231 V N 5.926 126.063 119.914 0.372 0.000 2.469 231 V HA -0.510 3.907 4.120 0.494 0.000 0.251 231 V C 1.520 177.773 176.094 0.265 0.000 1.064 231 V CA 3.723 66.231 62.300 0.348 0.000 1.066 231 V CB -0.361 31.593 31.823 0.220 0.000 0.667 231 V HN 0.140 8.556 8.190 0.377 0.000 0.461 232 c N -3.418 115.279 118.600 0.162 0.000 2.410 232 c HA -0.225 4.389 4.570 0.074 0.000 0.281 232 c C 1.667 175.776 174.090 0.032 0.000 1.318 232 c CA 1.744 58.118 56.329 0.076 0.000 1.776 232 c CB -2.089 40.438 42.510 0.027 0.000 1.942 232 c HN 0.513 8.818 8.230 0.165 0.024 0.508 233 N N 0.048 118.737 118.700 -0.019 0.000 2.463 233 N HA -0.089 4.555 4.740 -0.161 0.000 0.181 233 N C -0.060 175.202 175.510 -0.414 0.000 1.078 233 N CA 1.187 54.085 53.050 -0.252 0.000 0.902 233 N CB -0.236 37.986 38.487 -0.442 0.000 0.970 233 N HN -0.420 7.954 8.380 0.063 0.043 0.451 234 Y N -4.822 115.540 120.300 0.103 0.000 2.481 234 Y HA 0.118 4.792 4.550 0.208 0.000 0.247 234 Y C 0.299 176.326 175.900 0.213 0.000 1.151 234 Y CA -0.189 58.024 58.100 0.189 0.000 1.238 234 Y CB 0.044 38.634 38.460 0.216 0.000 1.179 234 Y HN -0.233 7.959 8.280 0.174 0.193 0.524 235 V N 1.189 121.235 119.914 0.220 0.000 2.287 235 V HA -0.595 3.616 4.120 0.153 0.000 0.248 235 V C 1.336 177.502 176.094 0.120 0.000 1.053 235 V CA 5.093 67.481 62.300 0.146 0.000 1.027 235 V CB -0.600 31.270 31.823 0.079 0.000 0.646 235 V HN -0.860 7.423 8.190 0.155 0.000 0.447 236 S N -0.144 115.626 115.700 0.117 0.000 2.368 236 S HA -0.345 4.149 4.470 0.039 0.000 0.225 236 S C 1.650 176.326 174.600 0.126 0.000 1.030 236 S CA 3.603 61.856 58.200 0.089 0.000 0.999 236 S CB -0.527 62.722 63.200 0.081 0.000 0.844 236 S HN 0.195 8.570 8.310 0.108 0.000 0.459 237 W N 3.969 125.308 121.300 0.065 0.000 2.355 237 W HA -0.164 4.529 4.660 0.055 0.000 0.309 237 W C 1.417 177.957 176.519 0.035 0.000 1.206 237 W CA 3.017 60.416 57.345 0.089 0.000 1.284 237 W CB -0.033 29.565 29.460 0.230 0.000 1.145 237 W HN -0.446 7.953 8.180 0.379 0.009 0.502 238 I N -0.935 119.660 120.570 0.041 0.000 2.163 238 I HA -0.767 3.032 4.170 -0.619 0.000 0.243 238 I C 1.981 177.876 176.117 -0.370 0.000 1.085 238 I CA 4.609 65.743 61.300 -0.277 0.000 1.347 238 I CB -0.209 37.778 38.000 -0.022 0.000 1.044 238 I HN 0.375 8.798 8.210 0.356 0.000 0.408 239 K N -1.101 119.178 120.400 -0.202 0.000 2.057 239 K HA -0.417 3.755 4.320 -0.247 0.000 0.207 239 K C 2.784 179.236 176.600 -0.246 0.000 1.049 239 K CA 3.759 59.921 56.287 -0.207 0.000 0.931 239 K CB -0.358 32.080 32.500 -0.104 0.000 0.714 239 K HN -0.018 8.178 8.250 -0.090 0.000 0.440 240 Q N -1.756 117.911 119.800 -0.222 0.000 2.079 240 Q HA -0.290 3.960 4.340 -0.151 0.000 0.200 240 Q C 2.622 178.438 176.000 -0.307 0.000 0.974 240 Q CA 3.429 59.110 55.803 -0.203 0.000 0.840 240 Q CB 0.070 28.735 28.738 -0.121 0.000 0.898 240 Q HN 0.201 8.258 8.270 -0.177 0.106 0.430 241 T N 2.875 117.121 114.554 -0.514 0.000 2.708 241 T HA -0.302 3.809 4.350 -0.399 0.000 0.266 241 T C 2.296 176.683 174.700 -0.521 0.000 1.037 241 T CA 5.020 66.773 62.100 -0.578 0.000 1.146 241 T CB -0.205 68.047 68.868 -1.026 0.000 0.865 241 T HN 0.128 7.992 8.240 -0.627 0.000 0.435 242 I N 0.726 120.876 120.570 -0.699 0.000 2.208 242 I HA -0.476 2.949 4.170 -1.240 0.000 0.245 242 I C 1.921 177.823 176.117 -0.358 0.000 1.097 242 I CA 3.806 64.598 61.300 -0.847 0.000 1.363 242 I CB -0.431 36.994 38.000 -0.959 0.000 1.051 242 I HN -0.034 7.754 8.210 -0.704 0.000 0.413 243 A N -1.182 121.477 122.820 -0.268 0.000 2.019 243 A HA -0.174 4.090 4.320 -0.094 0.000 0.219 243 A C 0.945 178.484 177.584 -0.075 0.000 1.164 243 A CA 2.682 54.641 52.037 -0.130 0.000 0.644 243 A CB -0.527 18.405 19.000 -0.114 0.000 0.805 243 A HN -0.028 7.928 8.150 -0.314 0.006 0.449 244 S N -4.312 111.332 115.700 -0.093 0.000 2.577 244 S HA 0.098 4.556 4.470 -0.020 0.000 0.219 244 S C -0.885 173.723 174.600 0.013 0.000 0.962 244 S CA 0.608 58.786 58.200 -0.038 0.000 0.921 244 S CB 1.005 64.174 63.200 -0.052 0.000 0.789 244 S HN -0.401 7.678 8.310 -0.159 0.135 0.497 245 N N 0.000 118.735 118.700 0.058 0.000 1.763 245 N HA 0.000 4.815 4.740 0.125 0.000 0.220 245 N CA 0.000 53.160 53.050 0.184 0.000 0.885 245 N CB 0.000 38.673 38.487 0.309 0.000 1.341 245 N HN 0.000 8.217 8.380 0.017 0.173 0.667