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 1gi4_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 4.179 4.170 0.015 0.000 0.288 16 I C 0.000 176.104 176.117 -0.021 0.000 1.063 16 I CA 0.000 61.290 61.300 -0.016 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.070 0.000 1.214 17 V N 6.165 126.078 119.914 -0.001 0.000 2.435 17 V HA 0.326 4.571 4.120 -0.018 -0.136 0.290 17 V C 0.537 176.629 176.094 -0.003 0.000 1.030 17 V CA -1.621 60.676 62.300 -0.006 0.000 0.881 17 V CB 1.310 33.135 31.823 0.005 0.000 0.983 17 V HN 0.824 9.026 8.190 0.020 0.000 0.445 18 G N 6.214 115.008 108.800 -0.011 0.000 2.179 18 G HA2 -0.382 3.570 3.960 -0.013 0.000 0.257 18 G HA3 -0.382 3.748 3.960 -0.031 -0.189 0.257 18 G C -0.503 174.400 174.900 0.006 0.000 1.010 18 G CA 0.341 45.433 45.100 -0.014 0.000 0.736 18 G HN 0.580 8.862 8.290 -0.013 0.000 0.513 19 G N -1.205 107.597 108.800 0.002 0.000 2.671 19 G HA2 0.512 4.505 3.960 0.078 0.000 0.275 19 G HA3 0.512 4.496 3.960 -0.102 -0.085 0.275 19 G C -1.760 173.174 174.900 0.057 0.000 1.368 19 G CA -1.068 44.031 45.100 -0.001 0.000 1.044 19 G HN -0.672 7.577 8.290 -0.016 0.031 0.543 20 Y N -6.120 114.160 120.300 -0.034 0.000 2.634 20 Y HA 0.402 4.935 4.550 -0.029 0.000 0.340 20 Y C -1.716 174.158 175.900 -0.043 0.000 1.058 20 Y CA -2.965 55.115 58.100 -0.033 0.000 1.081 20 Y CB 1.170 39.614 38.460 -0.027 0.000 1.295 20 Y HN 0.352 8.280 8.280 -0.586 0.000 0.487 21 T N 2.997 117.602 114.554 0.084 0.000 2.799 21 T HA -0.003 4.422 4.350 -0.107 -0.140 0.296 21 T C 0.418 175.135 174.700 0.030 0.000 0.947 21 T CA 1.733 63.828 62.100 -0.008 0.000 1.141 21 T CB -0.171 68.720 68.868 0.039 0.000 0.891 21 T HN 0.206 8.553 8.240 0.178 0.000 0.533 22 c N 6.843 125.366 118.600 -0.128 0.000 2.413 22 c HA -0.174 4.396 4.570 0.001 0.000 0.276 22 c C 0.147 174.258 174.090 0.035 0.000 1.236 22 c CA 1.067 57.357 56.329 -0.066 0.000 1.735 22 c CB -0.558 41.844 42.510 -0.179 0.000 2.031 22 c HN 0.489 8.591 8.230 -0.214 0.000 0.474 23 G N -2.844 105.958 108.800 0.003 0.000 2.697 23 G HA2 -0.242 3.734 3.960 0.027 0.000 0.684 23 G HA3 -0.242 3.737 3.960 0.032 0.000 0.684 23 G C -1.923 172.978 174.900 0.001 0.000 1.274 23 G CA -0.718 44.394 45.100 0.020 0.000 0.806 23 G HN -0.587 7.685 8.290 -0.029 0.000 0.644 24 A N 3.580 126.408 122.820 0.014 0.000 2.561 24 A HA -0.223 4.359 4.320 0.026 -0.246 0.251 24 A C -0.106 177.483 177.584 0.008 0.000 1.062 24 A CA 1.151 53.200 52.037 0.019 0.000 0.761 24 A CB -0.109 18.908 19.000 0.029 0.000 0.986 24 A HN 0.301 8.463 8.150 0.021 0.000 0.510 25 N N -2.564 116.138 118.700 0.002 0.000 2.741 25 N HA -0.384 4.345 4.740 -0.018 0.000 0.250 25 N C 0.434 175.922 175.510 -0.035 0.000 1.115 25 N CA 1.499 54.542 53.050 -0.012 0.000 0.724 25 N CB -0.917 37.575 38.487 0.008 0.000 1.090 25 N HN 0.433 8.820 8.380 0.013 0.000 0.558 26 T N -3.557 110.968 114.554 -0.049 0.000 3.100 26 T HA 0.008 4.348 4.350 -0.017 0.000 0.253 26 T C -0.042 174.602 174.700 -0.093 0.000 1.118 26 T CA 2.045 64.121 62.100 -0.040 0.000 1.058 26 T CB 0.467 69.327 68.868 -0.014 0.000 0.953 26 T HN -0.522 7.658 8.240 -0.052 0.029 0.515 27 V N 2.281 122.077 119.914 -0.196 0.000 2.320 27 V HA 0.384 4.232 4.120 -0.453 0.000 0.257 27 V C -1.545 174.226 176.094 -0.538 0.000 0.996 27 V CA -3.365 58.660 62.300 -0.459 0.000 0.928 27 V CB 0.480 32.016 31.823 -0.478 0.000 1.169 27 V HN -0.516 7.504 8.190 -0.165 0.071 0.475 28 P HA 0.032 4.490 4.420 -0.093 -0.094 0.230 28 P C 0.042 177.290 177.300 -0.086 0.000 1.158 28 P CA 1.599 64.620 63.100 -0.131 0.000 0.769 28 P CB 0.048 31.747 31.700 -0.002 0.000 0.807 29 Y N -6.152 114.175 120.300 0.044 0.000 2.466 29 Y HA 0.522 5.263 4.550 0.059 -0.155 0.272 29 Y C -0.619 175.319 175.900 0.064 0.000 1.169 29 Y CA -3.222 54.910 58.100 0.053 0.000 1.285 29 Y CB -1.191 37.296 38.460 0.045 0.000 1.078 29 Y HN -0.415 7.203 8.280 -1.004 0.060 0.523 30 Q N 2.757 122.430 119.800 -0.210 0.000 2.304 30 Q HA 0.281 4.829 4.340 0.107 -0.143 0.260 30 Q C -0.306 175.779 176.000 0.141 0.000 0.965 30 Q CA -0.060 55.728 55.803 -0.025 0.000 0.898 30 Q CB 1.316 29.925 28.738 -0.215 0.000 1.196 30 Q HN -0.582 7.215 8.270 -0.507 0.169 0.402 31 V N 1.177 121.214 119.914 0.206 0.000 3.074 31 V HA 0.837 5.196 4.120 0.194 -0.123 0.314 31 V C -2.033 174.216 176.094 0.258 0.000 1.117 31 V CA -2.855 59.562 62.300 0.194 0.000 1.014 31 V CB 3.947 35.830 31.823 0.099 0.000 1.057 31 V HN 0.304 8.611 8.190 0.195 0.000 0.438 32 S N 0.659 116.404 115.700 0.075 0.000 2.473 32 S HA 0.479 5.170 4.470 0.181 -0.112 0.307 32 S C -1.101 173.357 174.600 -0.237 0.000 1.094 32 S CA -1.997 56.173 58.200 -0.050 0.000 1.070 32 S CB 1.826 64.767 63.200 -0.432 0.000 1.019 32 S HN 0.255 8.569 8.310 0.006 0.000 0.480 33 L N 7.231 128.173 121.223 -0.468 0.000 2.272 33 L HA 0.588 4.826 4.340 -0.401 -0.138 0.289 33 L C -1.572 174.782 176.870 -0.861 0.000 1.032 33 L CA -0.898 53.531 54.840 -0.685 0.000 0.810 33 L CB 0.848 42.296 42.059 -1.018 0.000 1.205 33 L HN 0.809 8.722 8.230 -0.530 0.000 0.422 38 G N -0.070 108.648 108.800 -0.136 0.000 2.179 38 G HA2 -0.288 3.664 3.960 -0.014 0.000 0.220 38 G HA3 -0.288 3.740 3.960 0.113 0.000 0.220 38 G C -1.564 173.430 174.900 0.157 0.000 0.990 38 G CA 0.345 45.465 45.100 0.033 0.000 0.646 38 G HN 0.174 8.628 8.290 -0.178 -0.271 0.517 39 Y N -7.496 112.772 120.300 -0.052 0.000 2.732 39 Y HA 0.200 4.703 4.550 -0.080 0.000 0.342 39 Y C -2.560 173.328 175.900 -0.021 0.000 1.203 39 Y CA -3.641 54.426 58.100 -0.055 0.000 1.092 39 Y CB 0.837 39.261 38.460 -0.060 0.000 1.345 39 Y HN -1.247 6.852 8.280 -0.327 -0.015 0.458 40 H N 2.207 121.210 119.070 -0.112 0.000 2.767 40 H HA -0.016 4.479 4.556 -0.369 -0.161 0.316 40 H C -0.717 174.574 175.328 -0.062 0.000 1.059 40 H CA 0.182 56.091 56.048 -0.232 0.000 1.461 40 H CB 0.398 30.007 29.762 -0.255 0.000 1.475 40 H HN 0.226 8.586 8.280 0.134 0.000 0.531 41 F N 1.306 120.798 119.950 -0.764 0.000 2.834 41 F HA 0.361 4.802 4.527 -0.143 0.000 0.332 41 F C -1.604 173.943 175.800 -0.423 0.000 1.056 41 F CA -0.464 57.291 58.000 -0.409 0.000 1.178 41 F CB 1.725 40.541 39.000 -0.308 0.000 1.037 41 F HN -0.007 7.542 8.300 -1.252 0.000 0.580 42 c N -2.064 115.824 118.600 -1.186 0.000 3.306 42 c HA 0.353 4.927 4.570 -0.210 -0.130 0.335 42 c C -1.562 172.306 174.090 -0.370 0.000 1.382 42 c CA -0.197 55.795 56.329 -0.561 0.000 1.254 42 c CB 4.024 46.281 42.510 -0.422 0.000 1.555 42 c HN -0.763 6.420 8.230 -1.746 0.000 0.463 43 G N -1.067 107.718 108.800 -0.025 0.000 2.705 43 G HA2 0.819 5.079 3.960 0.234 0.000 0.299 43 G HA3 0.819 4.908 3.960 0.214 0.000 0.299 43 G C -2.512 172.412 174.900 0.039 0.000 1.315 43 G CA -1.661 43.521 45.100 0.137 0.000 1.045 43 G HN 0.759 9.044 8.290 -0.009 0.000 0.517 44 G N -4.062 104.797 108.800 0.099 0.000 2.506 44 G HA2 0.448 4.762 3.960 0.080 0.000 0.292 44 G HA3 0.448 4.443 3.960 0.057 0.000 0.292 44 G C -2.951 172.036 174.900 0.145 0.000 1.425 44 G CA 0.429 45.582 45.100 0.088 0.000 0.788 44 G HN -0.623 7.760 8.290 0.155 0.000 0.490 45 S N -0.420 115.371 115.700 0.151 0.000 2.532 45 S HA 0.835 5.676 4.470 0.273 -0.207 0.299 45 S C -1.289 173.413 174.600 0.171 0.000 1.105 45 S CA -0.944 57.377 58.200 0.201 0.000 1.018 45 S CB 3.724 67.024 63.200 0.166 0.000 1.021 45 S HN 0.407 8.792 8.310 0.126 0.000 0.483 46 L N 6.366 127.706 121.223 0.196 0.000 2.313 46 L HA 0.154 4.693 4.340 0.150 -0.109 0.282 46 L C -0.760 176.196 176.870 0.143 0.000 1.092 46 L CA -0.058 54.879 54.840 0.162 0.000 0.831 46 L CB 0.971 43.126 42.059 0.160 0.000 1.159 46 L HN 0.363 8.748 8.230 0.257 0.000 0.442 47 I N 0.265 120.917 120.570 0.136 0.000 4.057 47 I HA 0.489 4.851 4.170 0.068 -0.151 0.334 47 I C -0.926 175.249 176.117 0.097 0.000 1.308 47 I CA -0.605 60.752 61.300 0.095 0.000 1.125 47 I CB 0.648 38.693 38.000 0.075 0.000 1.034 47 I HN 0.467 8.777 8.210 0.166 0.000 0.401 48 N N -2.206 116.575 118.700 0.135 0.000 3.261 48 N HA 0.142 4.940 4.740 0.096 0.000 0.248 48 N C -0.578 175.013 175.510 0.134 0.000 1.498 48 N CA -0.443 52.684 53.050 0.128 0.000 0.884 48 N CB 0.654 39.228 38.487 0.145 0.000 1.428 48 N HN -0.930 7.546 8.380 0.159 0.000 0.517 49 S N -3.670 112.097 115.700 0.111 0.000 2.507 49 S HA -0.305 4.208 4.470 0.073 0.000 0.235 49 S C 0.752 175.387 174.600 0.059 0.000 0.988 49 S CA 2.662 60.910 58.200 0.079 0.000 0.944 49 S CB -0.115 63.119 63.200 0.058 0.000 0.762 49 S HN 0.367 8.740 8.310 0.104 0.000 0.526 50 Q N -0.307 119.544 119.800 0.086 0.000 2.140 50 Q HA 0.350 4.631 4.340 -0.098 0.000 0.227 50 Q C -2.190 173.677 176.000 -0.222 0.000 0.798 50 Q CA -0.463 55.291 55.803 -0.083 0.000 0.987 50 Q CB 2.770 31.423 28.738 -0.141 0.000 1.161 50 Q HN 0.174 8.883 8.270 0.188 -0.327 0.480 51 W N -2.128 119.179 121.300 0.013 0.000 2.915 51 W HA 0.678 5.537 4.660 0.010 -0.193 0.337 51 W C -1.586 174.948 176.519 0.025 0.000 1.102 51 W CA -1.096 56.255 57.345 0.012 0.000 1.224 51 W CB 3.812 33.270 29.460 -0.003 0.000 1.416 51 W HN -0.253 8.222 8.180 0.270 -0.133 0.503 52 V N 1.475 121.556 119.914 0.279 0.000 2.680 52 V HA 0.835 5.256 4.120 0.176 -0.196 0.309 52 V C -1.418 174.794 176.094 0.197 0.000 1.052 52 V CA -1.674 60.737 62.300 0.186 0.000 0.908 52 V CB 3.552 35.440 31.823 0.107 0.000 1.001 52 V HN 0.878 9.245 8.190 0.294 0.000 0.431 53 V N 6.328 126.334 119.914 0.154 0.000 2.513 53 V HA 0.729 5.106 4.120 0.160 -0.161 0.299 53 V C -1.248 174.907 176.094 0.102 0.000 1.035 53 V CA -1.146 61.237 62.300 0.138 0.000 0.889 53 V CB 1.986 33.882 31.823 0.121 0.000 0.988 53 V HN 0.664 8.940 8.190 0.142 0.000 0.440 54 S N 4.219 119.968 115.700 0.081 0.000 2.973 54 S HA 0.569 5.287 4.470 0.043 -0.223 0.317 54 S C -2.025 172.576 174.600 0.001 0.000 1.196 54 S CA -2.518 55.702 58.200 0.035 0.000 0.894 54 S CB 2.474 65.679 63.200 0.009 0.000 1.292 54 S HN 0.762 9.130 8.310 0.096 0.000 0.614 55 A N -0.738 122.047 122.820 -0.058 0.000 2.312 55 A HA 0.464 4.893 4.320 -0.068 -0.150 0.328 55 A C 0.361 177.845 177.584 -0.166 0.000 1.158 55 A CA -1.725 50.248 52.037 -0.106 0.000 0.821 55 A CB 1.681 20.587 19.000 -0.156 0.000 1.170 55 A HN 0.296 8.398 8.150 -0.079 0.000 0.490 56 A N 4.107 126.770 122.820 -0.262 0.000 1.972 56 A HA -0.224 3.943 4.320 -0.255 0.000 0.219 56 A C 1.151 178.521 177.584 -0.357 0.000 1.169 56 A CA 2.796 54.543 52.037 -0.482 0.000 0.635 56 A CB -0.249 18.005 19.000 -1.244 0.000 0.810 56 A HN 0.534 8.595 8.150 -0.243 -0.057 0.446 57 H N -4.866 114.067 119.070 -0.228 0.000 2.563 57 H HA -0.033 4.576 4.556 0.088 0.000 0.272 57 H C -0.073 175.312 175.328 0.094 0.000 1.005 57 H CA 1.008 57.076 56.048 0.033 0.000 1.171 57 H CB -1.622 28.222 29.762 0.136 0.000 1.351 57 H HN -0.117 8.377 8.280 -0.063 -0.252 0.602 58 c N -1.242 117.269 118.600 -0.148 0.000 2.791 58 c HA -0.001 4.602 4.570 0.055 0.000 0.270 58 c C -1.017 173.148 174.090 0.124 0.000 1.257 58 c CA 0.112 56.440 56.329 -0.002 0.000 1.699 58 c CB -1.227 41.253 42.510 -0.050 0.000 1.904 58 c HN -0.671 7.239 8.230 -0.190 0.205 0.603 59 Y N 2.285 122.580 120.300 -0.009 0.000 2.497 59 Y HA -0.195 4.369 4.550 0.024 0.000 0.334 59 Y C -1.311 174.566 175.900 -0.039 0.000 1.199 59 Y CA 1.495 59.593 58.100 -0.003 0.000 1.425 59 Y CB 1.015 39.465 38.460 -0.016 0.000 1.291 59 Y HN -0.435 7.760 8.280 0.153 0.176 0.562 60 K N 5.968 125.687 120.400 -1.136 0.000 2.711 60 K HA 0.195 4.081 4.320 -0.724 0.000 0.294 60 K C -2.298 173.759 176.600 -0.904 0.000 1.037 60 K CA -0.840 54.912 56.287 -0.892 0.000 0.858 60 K CB 2.278 34.429 32.500 -0.581 0.000 1.521 60 K HN -0.090 7.356 8.250 -1.340 0.000 0.386 61 S N -0.273 115.124 115.700 -0.505 0.000 2.687 61 S HA 0.140 4.425 4.470 -0.308 0.000 0.283 61 S C 0.747 175.208 174.600 -0.232 0.000 1.170 61 S CA -0.335 57.689 58.200 -0.294 0.000 1.008 61 S CB 1.013 64.135 63.200 -0.131 0.000 1.026 61 S HN -0.168 7.918 8.310 -0.373 0.000 0.541 62 G N 0.054 108.761 108.800 -0.155 0.000 2.256 62 G HA2 -0.248 3.656 3.960 -0.094 0.000 0.272 62 G HA3 -0.248 3.633 3.960 -0.131 0.000 0.272 62 G C -1.687 173.139 174.900 -0.123 0.000 1.076 62 G CA 0.143 45.167 45.100 -0.126 0.000 0.882 62 G HN 0.318 8.533 8.290 -0.125 0.000 0.497 63 I N -1.328 119.183 120.570 -0.099 0.000 2.385 63 I HA 0.133 4.431 4.170 0.006 -0.125 0.294 63 I C -1.668 174.410 176.117 -0.064 0.000 0.988 63 I CA -0.965 60.312 61.300 -0.039 0.000 1.265 63 I CB 1.101 39.103 38.000 0.003 0.000 1.388 63 I HN -0.515 7.633 8.210 -0.104 0.000 0.480 64 Q N 6.780 126.528 119.800 -0.087 0.000 3.106 64 Q HA 0.597 4.983 4.340 -0.087 -0.099 0.247 64 Q C -1.670 174.237 176.000 -0.154 0.000 1.033 64 Q CA -1.997 53.734 55.803 -0.121 0.000 0.888 64 Q CB 4.339 32.973 28.738 -0.173 0.000 1.586 64 Q HN 0.424 8.647 8.270 -0.077 0.000 0.482 65 R N -2.483 117.945 120.500 -0.119 0.000 3.321 65 R HA 0.395 4.970 4.340 0.102 -0.174 0.285 65 R C -1.444 174.880 176.300 0.040 0.000 1.149 65 R CA 0.062 56.131 56.100 -0.053 0.000 1.191 65 R CB 2.305 32.428 30.300 -0.295 0.000 1.276 65 R HN 0.631 8.813 8.270 -0.148 0.000 0.429 70 E N -0.324 119.971 120.200 0.158 0.000 2.319 70 E HA 0.094 4.522 4.350 0.130 0.000 0.268 70 E C -1.826 174.954 176.600 0.301 0.000 1.050 70 E CA 0.347 56.856 56.400 0.182 0.000 0.878 70 E CB 1.438 31.179 29.700 0.068 0.000 1.066 70 E HN -0.628 7.800 8.360 0.178 0.039 0.406 71 D N 1.162 121.715 120.400 0.255 0.000 2.957 71 D HA 0.052 4.898 4.640 0.344 0.000 0.175 71 D C -1.066 175.420 176.300 0.310 0.000 1.502 71 D CA 1.043 55.206 54.000 0.271 0.000 1.524 71 D CB 2.473 43.352 40.800 0.132 0.000 1.300 71 D HN 0.104 8.575 8.370 0.168 0.000 0.241 72 N N 1.169 119.966 118.700 0.161 0.000 2.401 72 N HA 0.165 5.132 4.740 0.160 -0.131 0.255 72 N C 2.189 177.706 175.510 0.011 0.000 1.110 72 N CA -0.493 52.623 53.050 0.110 0.000 0.949 72 N CB 0.403 38.933 38.487 0.071 0.000 1.110 72 N HN -0.479 8.261 8.380 0.121 -0.287 0.490 73 I N 1.098 121.592 120.570 -0.125 0.000 3.176 73 I HA -0.149 4.011 4.170 -0.272 -0.153 0.275 73 I C -0.520 175.515 176.117 -0.137 0.000 1.298 73 I CA 1.444 62.571 61.300 -0.288 0.000 1.445 73 I CB -0.828 36.772 38.000 -0.667 0.000 1.075 73 I HN 0.510 8.662 8.210 -0.098 0.000 0.482 74 N N -2.380 116.286 118.700 -0.057 0.000 2.220 74 N HA 0.126 4.850 4.740 -0.027 0.000 0.195 74 N C -0.890 174.628 175.510 0.012 0.000 1.123 74 N CA 0.090 53.130 53.050 -0.017 0.000 0.874 74 N CB 2.152 40.637 38.487 -0.002 0.000 0.995 74 N HN -0.038 8.615 8.380 -0.036 -0.294 0.498 75 V N 0.350 120.277 119.914 0.022 0.000 2.588 75 V HA 0.048 4.186 4.120 0.030 0.000 0.304 75 V C -1.435 174.683 176.094 0.040 0.000 1.042 75 V CA -1.041 61.277 62.300 0.031 0.000 0.877 75 V CB 3.165 35.004 31.823 0.027 0.000 0.996 75 V HN -0.831 7.412 8.190 0.014 -0.044 0.425 76 V N 7.601 127.535 119.914 0.034 0.000 2.389 76 V HA -0.177 4.174 4.120 0.030 -0.212 0.264 76 V C 0.138 176.230 176.094 -0.002 0.000 1.049 76 V CA 0.659 62.966 62.300 0.011 0.000 0.932 76 V CB -0.166 31.643 31.823 -0.024 0.000 1.011 76 V HN 0.309 8.516 8.190 0.028 0.000 0.475 77 E N 8.020 128.221 120.200 0.003 0.000 2.473 77 E HA 0.121 4.473 4.350 0.003 0.000 0.204 77 E C -0.191 176.404 176.600 -0.008 0.000 0.994 77 E CA -0.353 56.050 56.400 0.004 0.000 0.945 77 E CB 0.727 30.440 29.700 0.021 0.000 0.990 77 E HN 0.337 9.137 8.360 0.011 -0.433 0.493 78 G N -0.041 108.744 108.800 -0.024 0.000 2.576 78 G HA2 -0.220 3.705 3.960 -0.059 0.000 0.686 78 G HA3 -0.220 3.725 3.960 -0.026 0.000 0.686 78 G C -1.711 173.174 174.900 -0.024 0.000 1.242 78 G CA -0.721 44.358 45.100 -0.036 0.000 0.819 78 G HN -0.493 8.165 8.290 -0.030 -0.386 0.655 79 N N -3.944 114.736 118.700 -0.033 0.000 2.980 79 N HA -0.268 4.461 4.740 -0.018 0.000 0.213 79 N C -0.953 174.547 175.510 -0.016 0.000 0.892 79 N CA 1.335 54.376 53.050 -0.016 0.000 1.025 79 N CB -0.250 38.242 38.487 0.008 0.000 1.030 79 N HN 0.159 8.510 8.380 -0.049 0.000 0.585 80 E N -0.967 119.205 120.200 -0.046 0.000 2.366 80 E HA 0.159 4.785 4.350 0.051 -0.245 0.266 80 E C -0.183 176.350 176.600 -0.111 0.000 1.051 80 E CA 0.596 56.973 56.400 -0.038 0.000 0.884 80 E CB 0.519 30.161 29.700 -0.096 0.000 1.006 80 E HN -0.189 8.030 8.360 -0.067 0.100 0.417 81 Q N 1.205 121.010 119.800 0.008 0.000 2.274 81 Q HA 0.267 4.550 4.340 -0.095 0.000 0.268 81 Q C -1.519 174.626 176.000 0.241 0.000 1.015 81 Q CA -1.157 54.653 55.803 0.013 0.000 0.775 81 Q CB 3.042 31.800 28.738 0.033 0.000 1.256 81 Q HN 0.159 8.505 8.270 0.127 0.000 0.442 82 F N 3.486 123.415 119.950 -0.035 0.000 2.402 82 F HA 0.456 5.130 4.527 -0.052 -0.178 0.355 82 F C -0.166 175.608 175.800 -0.043 0.000 1.123 82 F CA -2.963 55.010 58.000 -0.045 0.000 1.021 82 F CB 0.987 39.959 39.000 -0.047 0.000 1.160 82 F HN 0.368 8.697 8.300 0.048 0.000 0.451 83 I N 3.945 124.585 120.570 0.118 0.000 2.582 83 I HA 0.248 4.444 4.170 0.043 0.000 0.292 83 I C -1.333 174.780 176.117 -0.006 0.000 1.066 83 I CA -1.398 59.925 61.300 0.039 0.000 1.053 83 I CB 4.092 42.100 38.000 0.014 0.000 1.241 83 I HN 0.857 9.121 8.210 0.090 0.000 0.421 84 S N 5.508 121.197 115.700 -0.019 0.000 2.592 84 S HA 0.113 4.664 4.470 -0.049 -0.111 0.271 84 S C -0.519 174.044 174.600 -0.062 0.000 1.326 84 S CA 0.585 58.759 58.200 -0.042 0.000 1.024 84 S CB 1.038 64.216 63.200 -0.038 0.000 0.921 84 S HN 0.422 8.726 8.310 -0.010 0.000 0.527 85 A N 3.199 125.978 122.820 -0.067 0.000 2.363 85 A HA 0.187 4.553 4.320 -0.104 -0.109 0.270 85 A C -0.249 177.285 177.584 -0.083 0.000 1.121 85 A CA -0.321 51.666 52.037 -0.082 0.000 0.800 85 A CB 0.566 19.529 19.000 -0.063 0.000 1.052 85 A HN -0.112 8.000 8.150 -0.063 0.000 0.493 86 S N 3.757 119.388 115.700 -0.115 0.000 2.404 86 S HA 0.035 4.463 4.470 -0.071 0.000 0.223 86 S C 0.420 174.978 174.600 -0.069 0.000 1.040 86 S CA 1.452 59.594 58.200 -0.096 0.000 0.957 86 S CB 0.879 64.001 63.200 -0.130 0.000 0.826 86 S HN 0.796 8.893 8.310 -0.163 0.115 0.491 87 K N 0.083 120.432 120.400 -0.084 0.000 2.532 87 K HA 0.285 4.621 4.320 0.026 0.000 0.265 87 K C -2.329 174.292 176.600 0.035 0.000 0.948 87 K CA -0.756 55.527 56.287 -0.006 0.000 0.842 87 K CB 3.541 36.047 32.500 0.011 0.000 1.392 87 K HN -0.761 7.399 8.250 -0.149 0.000 0.436 88 S N 1.389 117.167 115.700 0.129 0.000 2.502 88 S HA 0.687 5.425 4.470 0.169 -0.167 0.304 88 S C -0.868 173.865 174.600 0.221 0.000 1.097 88 S CA -0.432 57.890 58.200 0.203 0.000 1.045 88 S CB 2.496 65.877 63.200 0.302 0.000 1.019 88 S HN 0.183 8.584 8.310 0.152 0.000 0.481 89 I N 7.573 128.280 120.570 0.228 0.000 2.437 89 I HA 0.117 4.382 4.170 0.158 0.000 0.279 89 I C -1.592 174.665 176.117 0.233 0.000 1.028 89 I CA -0.804 60.624 61.300 0.213 0.000 1.142 89 I CB 1.651 39.792 38.000 0.235 0.000 1.266 89 I HN 1.082 9.332 8.210 0.249 0.109 0.461 90 V N 7.892 127.878 119.914 0.120 0.000 2.649 90 V HA -0.139 4.021 4.120 0.067 0.000 0.292 90 V C -0.210 175.957 176.094 0.122 0.000 1.055 90 V CA -0.536 61.798 62.300 0.055 0.000 1.023 90 V CB 0.855 32.621 31.823 -0.095 0.000 0.992 90 V HN 0.373 8.593 8.190 0.050 0.000 0.480 91 H N 9.065 128.116 119.070 -0.030 0.000 3.094 91 H HA -0.052 4.351 4.556 -0.256 0.000 0.320 91 H C -0.503 174.795 175.328 -0.051 0.000 1.000 91 H CA 0.443 56.353 56.048 -0.230 0.000 1.413 91 H CB 1.477 30.931 29.762 -0.513 0.000 1.405 91 H HN -0.184 8.131 8.280 0.059 0.000 0.586 92 P HA -0.121 4.308 4.420 0.015 0.000 0.219 92 P C -0.438 176.909 177.300 0.080 0.000 1.146 92 P CA 1.505 64.579 63.100 -0.042 0.000 0.808 92 P CB 0.294 31.950 31.700 -0.073 0.000 0.779 93 S N -3.651 112.203 115.700 0.256 0.000 2.583 93 S HA 0.036 4.566 4.470 0.101 0.000 0.239 93 S C -0.618 174.085 174.600 0.172 0.000 0.966 93 S CA 0.030 58.354 58.200 0.207 0.000 0.973 93 S CB 0.367 63.684 63.200 0.195 0.000 0.794 93 S HN -0.390 8.158 8.310 0.454 0.034 0.463 94 Y N 3.649 123.994 120.300 0.076 0.000 2.511 94 Y HA -0.255 4.463 4.550 -0.053 -0.200 0.332 94 Y C -0.861 175.025 175.900 -0.023 0.000 1.177 94 Y CA 0.663 58.758 58.100 -0.007 0.000 1.422 94 Y CB 0.940 39.401 38.460 0.002 0.000 1.271 94 Y HN -0.654 7.648 8.280 0.329 0.176 0.550 95 N N 7.315 125.648 118.700 -0.612 0.000 2.524 95 N HA 0.216 4.681 4.740 -0.460 0.000 0.261 95 N C -0.299 174.679 175.510 -0.886 0.000 0.998 95 N CA -1.213 51.494 53.050 -0.572 0.000 0.915 95 N CB 1.703 40.015 38.487 -0.291 0.000 1.187 95 N HN -0.252 7.856 8.380 -0.454 0.000 0.507 96 S N 6.435 121.617 115.700 -0.864 0.000 2.515 96 S HA -0.077 3.973 4.470 -0.700 0.000 0.231 96 S C 0.611 175.012 174.600 -0.331 0.000 0.987 96 S CA 2.357 60.206 58.200 -0.585 0.000 0.936 96 S CB -0.184 62.861 63.200 -0.260 0.000 0.766 96 S HN 0.640 8.550 8.310 -0.668 0.000 0.528 97 N N 2.040 120.552 118.700 -0.312 0.000 2.336 97 N HA 0.060 4.671 4.740 -0.216 0.000 0.177 97 N C 1.088 176.418 175.510 -0.300 0.000 1.018 97 N CA 2.218 55.120 53.050 -0.246 0.000 0.878 97 N CB 0.589 38.964 38.487 -0.187 0.000 0.997 97 N HN 0.207 8.604 8.380 -0.338 -0.220 0.433 98 T N -4.513 109.853 114.554 -0.313 0.000 3.014 98 T HA 0.083 4.199 4.350 -0.391 0.000 0.250 98 T C 0.194 174.645 174.700 -0.414 0.000 1.060 98 T CA 0.414 62.309 62.100 -0.342 0.000 1.040 98 T CB 1.588 70.321 68.868 -0.225 0.000 0.971 98 T HN -0.351 7.984 8.240 -0.305 -0.278 0.497 99 L N -3.424 117.593 121.223 -0.344 0.000 4.089 99 L HA -0.451 3.931 4.340 -0.062 -0.080 0.408 99 L C -1.552 175.305 176.870 -0.022 0.000 1.184 99 L CA 0.516 55.251 54.840 -0.175 0.000 0.947 99 L CB -3.252 38.610 42.059 -0.329 0.000 2.066 99 L HN 0.047 8.012 8.230 -0.364 0.047 0.851 100 N N -0.682 117.972 118.700 -0.077 0.000 2.518 100 N HA -0.177 4.593 4.740 0.050 0.000 0.266 100 N C 0.054 175.594 175.510 0.051 0.000 1.196 100 N CA 0.619 53.670 53.050 0.002 0.000 0.947 100 N CB 1.200 39.664 38.487 -0.037 0.000 1.098 100 N HN -0.717 7.518 8.380 -0.172 0.042 0.450 101 N N -1.214 117.513 118.700 0.044 0.000 2.756 101 N HA -0.470 4.184 4.740 -0.142 0.000 0.248 101 N C -1.424 174.050 175.510 -0.059 0.000 1.062 101 N CA 1.382 54.358 53.050 -0.124 0.000 0.696 101 N CB -1.561 36.727 38.487 -0.333 0.000 0.946 101 N HN 0.595 9.028 8.380 0.088 0.000 0.548 102 D N -1.093 119.318 120.400 0.018 0.000 2.551 102 D HA 0.058 4.679 4.640 -0.032 0.000 0.223 102 D C -1.677 174.537 176.300 -0.143 0.000 1.144 102 D CA -0.458 53.554 54.000 0.021 0.000 1.025 102 D CB -0.688 40.222 40.800 0.184 0.000 1.085 102 D HN -0.133 8.262 8.370 0.041 0.000 0.506 103 I N 2.401 122.820 120.570 -0.252 0.000 2.827 103 I HA 0.571 4.839 4.170 -0.119 -0.169 0.298 103 I C -3.095 172.979 176.117 -0.071 0.000 1.235 103 I CA -1.448 59.735 61.300 -0.194 0.000 1.021 103 I CB 4.229 41.987 38.000 -0.404 0.000 1.259 103 I HN -0.039 7.968 8.210 -0.272 0.040 0.427 104 M N 6.231 125.858 119.600 0.045 0.000 2.470 104 M HA 0.717 5.507 4.480 0.219 -0.179 0.285 104 M C -2.768 173.658 176.300 0.209 0.000 1.213 104 M CA -1.102 54.285 55.300 0.145 0.000 0.901 104 M CB 4.864 37.508 32.600 0.074 0.000 1.718 104 M HN 0.556 8.785 8.290 0.038 0.083 0.469 105 L N 3.278 124.664 121.223 0.271 0.000 2.329 105 L HA 0.847 5.514 4.340 0.265 -0.168 0.279 105 L C -1.342 175.723 176.870 0.324 0.000 1.014 105 L CA -1.402 53.617 54.840 0.299 0.000 0.814 105 L CB 3.053 45.268 42.059 0.260 0.000 1.257 105 L HN 0.498 8.804 8.230 0.302 0.105 0.424 106 I N 1.357 122.103 120.570 0.292 0.000 2.465 106 I HA 0.625 5.039 4.170 0.098 -0.185 0.291 106 I C -1.614 174.456 176.117 -0.078 0.000 1.014 106 I CA -1.453 59.913 61.300 0.110 0.000 1.093 106 I CB 3.217 41.252 38.000 0.058 0.000 1.267 106 I HN 1.008 9.413 8.210 0.324 0.000 0.431 107 K N 6.554 126.709 120.400 -0.408 0.000 2.159 107 K HA 0.661 4.302 4.320 -1.395 -0.158 0.266 107 K C -1.109 175.204 176.600 -0.480 0.000 0.975 107 K CA -1.834 53.862 56.287 -0.986 0.000 0.865 107 K CB 2.982 34.759 32.500 -1.205 0.000 1.087 107 K HN 0.708 8.809 8.250 -0.249 0.000 0.446 108 L N 4.469 125.436 121.223 -0.425 0.000 2.399 108 L HA 0.244 4.593 4.340 -0.170 -0.111 0.266 108 L C 1.771 178.521 176.870 -0.199 0.000 1.114 108 L CA -0.204 54.503 54.840 -0.222 0.000 0.804 108 L CB 0.503 42.475 42.059 -0.146 0.000 1.146 108 L HN 0.779 8.571 8.230 -0.558 0.103 0.451 109 K N 2.794 123.118 120.400 -0.127 0.000 2.057 109 K HA -0.323 3.932 4.320 -0.110 0.000 0.207 109 K C -0.592 175.958 176.600 -0.084 0.000 1.049 109 K CA 2.634 58.863 56.287 -0.097 0.000 0.931 109 K CB 0.402 32.864 32.500 -0.063 0.000 0.714 109 K HN 0.699 8.886 8.250 -0.104 0.000 0.440 110 S N -3.284 112.374 115.700 -0.070 0.000 2.667 110 S HA 0.083 4.521 4.470 -0.053 0.000 0.292 110 S C -1.916 172.653 174.600 -0.050 0.000 1.126 110 S CA -0.965 57.204 58.200 -0.051 0.000 0.881 110 S CB 2.805 65.987 63.200 -0.030 0.000 1.132 110 S HN -0.438 7.832 8.310 -0.066 0.000 0.492 111 A N -0.216 122.584 122.820 -0.033 0.000 2.371 111 A HA 0.014 4.461 4.320 -0.029 -0.145 0.257 111 A C -0.529 177.052 177.584 -0.004 0.000 1.089 111 A CA 0.008 52.035 52.037 -0.018 0.000 0.794 111 A CB 0.796 19.797 19.000 -0.000 0.000 1.029 111 A HN 0.063 8.197 8.150 -0.026 0.000 0.488 112 A N 1.084 123.908 122.820 0.008 0.000 2.304 112 A HA 0.170 4.568 4.320 0.013 -0.070 0.271 112 A C -0.746 176.850 177.584 0.020 0.000 1.091 112 A CA -1.304 50.743 52.037 0.018 0.000 0.812 112 A CB 1.214 20.234 19.000 0.033 0.000 1.056 112 A HN 0.365 8.411 8.150 0.011 0.111 0.489 113 S N -0.045 115.665 115.700 0.017 0.000 2.399 113 S HA 0.017 4.496 4.470 0.016 0.000 0.301 113 S C -0.639 173.975 174.600 0.024 0.000 1.093 113 S CA -0.578 57.631 58.200 0.016 0.000 1.077 113 S CB 0.156 63.360 63.200 0.007 0.000 0.980 113 S HN 0.006 8.675 8.310 0.015 -0.350 0.494 114 L N 7.256 128.497 121.223 0.029 0.000 2.395 114 L HA 0.188 4.687 4.340 0.042 -0.134 0.269 114 L C -0.372 176.516 176.870 0.030 0.000 1.133 114 L CA -0.212 54.650 54.840 0.037 0.000 0.812 114 L CB 0.433 42.518 42.059 0.044 0.000 1.125 114 L HN 0.208 8.454 8.230 0.028 0.000 0.452 115 N N 2.419 121.139 118.700 0.033 0.000 3.449 115 N HA 0.160 4.914 4.740 0.025 0.000 0.312 115 N C -0.858 174.671 175.510 0.031 0.000 1.582 115 N CA -0.615 52.450 53.050 0.027 0.000 0.850 115 N CB 0.861 39.359 38.487 0.019 0.000 1.822 115 N HN 0.450 8.743 8.380 0.039 0.111 0.577 116 S N -3.135 112.581 115.700 0.026 0.000 2.447 116 S HA -0.248 4.243 4.470 0.035 0.000 0.233 116 S C 0.770 175.387 174.600 0.028 0.000 1.006 116 S CA 2.589 60.806 58.200 0.029 0.000 0.957 116 S CB -0.307 62.906 63.200 0.023 0.000 0.773 116 S HN 0.217 8.539 8.310 0.021 0.000 0.507 117 R N -1.286 119.229 120.500 0.025 0.000 2.254 117 R HA 0.150 4.499 4.340 0.015 0.000 0.195 117 R C -1.094 175.223 176.300 0.028 0.000 0.957 117 R CA -0.171 55.942 56.100 0.021 0.000 1.024 117 R CB 0.916 31.228 30.300 0.020 0.000 0.952 117 R HN -0.104 8.418 8.270 0.023 -0.238 0.484 118 V N -1.511 118.426 119.914 0.038 0.000 2.419 118 V HA 0.271 4.612 4.120 0.054 -0.189 0.287 118 V C -2.151 173.983 176.094 0.066 0.000 1.017 118 V CA -0.978 61.353 62.300 0.052 0.000 0.844 118 V CB 2.180 34.032 31.823 0.049 0.000 1.011 118 V HN -0.376 7.927 8.190 0.036 -0.092 0.429 119 A N 7.195 130.071 122.820 0.093 0.000 2.556 119 A HA 0.618 4.991 4.320 0.089 0.000 0.294 119 A C -2.866 174.814 177.584 0.159 0.000 1.091 119 A CA -1.639 50.465 52.037 0.112 0.000 0.704 119 A CB 3.031 22.098 19.000 0.113 0.000 1.300 119 A HN 0.129 8.219 8.150 0.098 0.119 0.406 120 S N -0.760 115.017 115.700 0.128 0.000 2.672 120 S HA 0.678 5.392 4.470 0.161 -0.147 0.276 120 S C -0.637 174.017 174.600 0.091 0.000 1.207 120 S CA -2.176 56.099 58.200 0.125 0.000 1.002 120 S CB 1.570 64.823 63.200 0.088 0.000 0.998 120 S HN -0.045 8.325 8.310 0.100 0.000 0.542 121 I N 0.772 121.351 120.570 0.016 0.000 2.648 121 I HA 0.229 4.327 4.170 -0.119 0.000 0.304 121 I C -1.594 174.475 176.117 -0.081 0.000 1.009 121 I CA -1.929 59.283 61.300 -0.146 0.000 1.114 121 I CB 3.337 41.031 38.000 -0.511 0.000 1.293 121 I HN 0.052 8.287 8.210 0.041 0.000 0.449 122 S N 5.756 121.407 115.700 -0.082 0.000 2.610 122 S HA 0.273 4.728 4.470 -0.024 0.000 0.273 122 S C -0.521 174.053 174.600 -0.044 0.000 1.274 122 S CA -0.840 57.334 58.200 -0.044 0.000 1.023 122 S CB 0.711 63.891 63.200 -0.034 0.000 0.962 122 S HN 0.246 8.492 8.310 -0.106 0.000 0.523 123 L N 2.549 123.761 121.223 -0.019 0.000 2.399 123 L HA 0.232 4.574 4.340 0.002 0.000 0.266 123 L C -1.244 175.624 176.870 -0.003 0.000 1.114 123 L CA -2.376 52.464 54.840 -0.000 0.000 0.804 123 L CB 0.286 42.354 42.059 0.015 0.000 1.146 123 L HN 0.223 8.445 8.230 -0.014 0.000 0.451 124 P HA 0.150 4.561 4.420 -0.015 0.000 0.279 124 P C -1.162 176.139 177.300 0.002 0.000 1.252 124 P CA -0.795 62.303 63.100 -0.003 0.000 0.811 124 P CB 0.724 32.422 31.700 -0.003 0.000 1.035 128 c N 0.568 119.145 118.600 -0.038 0.000 2.580 128 c HA 0.061 4.597 4.570 -0.057 0.000 0.371 128 c C -0.044 173.989 174.090 -0.094 0.000 1.308 128 c CA -0.639 55.653 56.329 -0.062 0.000 2.428 128 c CB 0.475 42.953 42.510 -0.052 0.000 2.529 128 c HN -0.039 8.172 8.230 -0.032 0.000 0.657 129 A N 1.005 123.733 122.820 -0.154 0.000 2.293 129 A HA 0.089 4.335 4.320 -0.123 0.000 0.302 129 A C -0.843 176.636 177.584 -0.175 0.000 1.119 129 A CA -0.348 51.586 52.037 -0.172 0.000 0.823 129 A CB 1.158 20.016 19.000 -0.238 0.000 1.097 129 A HN 0.213 8.247 8.150 -0.193 0.000 0.491 133 G N 2.606 111.363 108.800 -0.073 0.000 2.241 133 G HA2 -0.283 3.640 3.960 -0.062 0.000 0.244 133 G HA3 -0.283 3.647 3.960 -0.051 0.000 0.244 133 G C 0.246 175.104 174.900 -0.070 0.000 0.998 133 G CA -0.117 44.945 45.100 -0.063 0.000 0.621 133 G HN 0.844 8.970 8.290 -0.077 0.118 0.519 134 T N 3.995 118.495 114.554 -0.089 0.000 2.928 134 T HA -0.142 4.168 4.350 -0.067 0.000 0.305 134 T C -0.758 173.893 174.700 -0.082 0.000 1.035 134 T CA 2.245 64.293 62.100 -0.088 0.000 1.145 134 T CB 0.554 69.351 68.868 -0.119 0.000 0.963 134 T HN -0.465 7.635 8.240 -0.105 0.077 0.545 135 Q N 4.774 124.541 119.800 -0.055 0.000 2.256 135 Q HA 0.174 4.613 4.340 -0.046 -0.127 0.254 135 Q C -0.932 175.048 176.000 -0.033 0.000 0.916 135 Q CA 0.031 55.813 55.803 -0.035 0.000 0.932 135 Q CB 1.398 30.132 28.738 -0.007 0.000 1.207 135 Q HN 0.232 8.474 8.270 -0.046 0.000 0.426 136 c N 1.701 120.283 118.600 -0.030 0.000 2.913 136 c HA 0.651 5.321 4.570 -0.018 -0.111 0.322 136 c C -1.807 172.290 174.090 0.012 0.000 1.292 136 c CA -1.344 54.971 56.329 -0.024 0.000 1.649 136 c CB 4.257 46.732 42.510 -0.058 0.000 2.139 136 c HN 0.968 9.067 8.230 -0.031 0.113 0.475 137 L N 0.834 122.073 121.223 0.026 0.000 2.325 137 L HA 0.828 5.374 4.340 0.060 -0.170 0.281 137 L C -2.206 174.684 176.870 0.034 0.000 1.004 137 L CA -1.241 53.629 54.840 0.051 0.000 0.823 137 L CB 3.164 45.276 42.059 0.087 0.000 1.236 137 L HN 0.698 8.829 8.230 0.018 0.110 0.415 138 I N 7.557 128.132 120.570 0.010 0.000 2.474 138 I HA 0.897 5.329 4.170 0.027 -0.246 0.294 138 I C -1.306 174.787 176.117 -0.040 0.000 1.005 138 I CA -1.568 59.736 61.300 0.006 0.000 1.113 138 I CB 2.645 40.651 38.000 0.010 0.000 1.289 138 I HN 0.887 9.104 8.210 0.011 0.000 0.436 139 S N 2.402 118.071 115.700 -0.051 0.000 2.618 139 S HA 1.040 5.544 4.470 -0.216 -0.163 0.277 139 S C -1.153 173.335 174.600 -0.187 0.000 1.138 139 S CA -1.770 56.325 58.200 -0.176 0.000 0.844 139 S CB 3.740 66.800 63.200 -0.235 0.000 1.127 139 S HN -0.198 8.114 8.310 0.004 0.000 0.474 140 G N -1.140 107.454 108.800 -0.344 0.000 2.321 140 G HA2 0.129 3.850 3.960 -0.399 0.000 0.298 140 G HA3 0.129 4.186 3.960 -0.060 -0.133 0.298 140 G C -2.274 172.403 174.900 -0.371 0.000 1.385 140 G CA 0.548 45.468 45.100 -0.299 0.000 0.856 140 G HN 0.341 8.368 8.290 -0.438 0.000 0.584 141 W N 0.993 122.234 121.300 -0.099 0.000 3.015 141 W HA 0.358 4.958 4.660 -0.100 0.000 0.429 141 W C -0.225 176.328 176.519 0.056 0.000 0.976 141 W CA -0.956 56.288 57.345 -0.167 0.000 2.086 141 W CB 0.134 29.243 29.460 -0.584 0.000 1.125 141 W HN 0.578 8.899 8.180 0.235 0.000 0.721 142 G N 0.672 109.640 108.800 0.280 0.000 2.621 142 G HA2 -0.031 4.273 3.960 0.556 0.000 0.271 142 G HA3 -0.031 4.251 3.960 0.254 -0.170 0.271 142 G C -0.985 173.973 174.900 0.096 0.000 1.236 142 G CA -0.833 44.458 45.100 0.319 0.000 0.958 142 G HN -0.436 8.097 8.290 0.167 -0.143 0.512 143 N N -1.115 117.522 118.700 -0.106 0.000 2.353 143 N HA -0.327 4.131 4.740 -0.763 -0.176 0.248 143 N C 0.551 175.962 175.510 -0.165 0.000 1.240 143 N CA 0.920 53.729 53.050 -0.401 0.000 0.862 143 N CB 0.725 38.993 38.487 -0.366 0.000 1.086 143 N HN 0.093 8.500 8.380 0.045 0.000 0.453 144 T N -1.265 113.189 114.554 -0.166 0.000 3.044 144 T HA 0.264 4.693 4.350 -0.057 -0.113 0.260 144 T C 0.351 175.013 174.700 -0.064 0.000 1.019 144 T CA 0.169 62.222 62.100 -0.080 0.000 0.921 144 T CB 1.261 70.097 68.868 -0.054 0.000 1.053 144 T HN 0.197 8.293 8.240 -0.240 0.000 0.533 145 K N 2.531 122.880 120.400 -0.084 0.000 2.207 145 K HA 0.304 4.604 4.320 -0.034 0.000 0.255 145 K C -0.209 176.369 176.600 -0.036 0.000 0.941 145 K CA -1.128 55.129 56.287 -0.051 0.000 0.825 145 K CB 2.475 34.944 32.500 -0.052 0.000 1.119 145 K HN -0.270 8.218 8.250 -0.131 -0.317 0.430 146 S N 0.900 116.591 115.700 -0.016 0.000 2.439 146 S HA -0.073 4.398 4.470 0.002 0.000 0.224 146 S C -0.300 174.301 174.600 0.002 0.000 1.029 146 S CA 1.368 59.567 58.200 -0.001 0.000 0.946 146 S CB 0.744 63.948 63.200 0.007 0.000 0.797 146 S HN 0.105 8.406 8.310 -0.013 0.000 0.504 147 S N 1.295 116.993 115.700 -0.002 0.000 2.669 147 S HA 0.114 4.588 4.470 0.007 0.000 0.315 147 S C -1.000 173.597 174.600 -0.004 0.000 1.106 147 S CA -0.107 58.095 58.200 0.002 0.000 1.107 147 S CB 0.068 63.270 63.200 0.004 0.000 0.990 147 S HN -0.670 7.611 8.310 -0.007 0.025 0.471 148 G N 3.959 112.757 108.800 -0.003 0.000 2.525 148 G HA2 -0.265 3.698 3.960 0.005 0.000 0.685 148 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.685 148 G C -2.650 172.232 174.900 -0.030 0.000 1.290 148 G CA -0.684 44.412 45.100 -0.006 0.000 0.915 148 G HN -0.114 8.177 8.290 0.002 0.000 0.548 149 T N -4.169 110.365 114.554 -0.032 0.000 2.879 149 T HA 0.137 4.591 4.350 -0.185 -0.215 0.290 149 T C -1.497 173.144 174.700 -0.098 0.000 0.993 149 T CA -1.585 60.454 62.100 -0.101 0.000 0.975 149 T CB 2.397 71.265 68.868 -0.001 0.000 0.981 149 T HN -0.197 8.040 8.240 -0.006 0.000 0.439 150 S N 3.677 119.249 115.700 -0.214 0.000 2.720 150 S HA 0.244 4.729 4.470 0.025 0.000 0.278 150 S C -2.270 172.220 174.600 -0.183 0.000 1.172 150 S CA -0.488 57.664 58.200 -0.080 0.000 1.019 150 S CB 1.413 64.587 63.200 -0.043 0.000 1.049 150 S HN 0.609 9.065 8.310 -0.364 -0.365 0.483 151 Y N 5.162 125.501 120.300 0.066 0.000 2.393 151 Y HA 0.316 4.923 4.550 0.094 0.000 0.341 151 Y C -1.012 174.936 175.900 0.081 0.000 0.988 151 Y CA -2.931 55.221 58.100 0.087 0.000 1.078 151 Y CB 1.731 40.255 38.460 0.107 0.000 1.203 151 Y HN 0.145 8.610 8.280 0.308 0.000 0.453 152 P HA 0.271 4.771 4.420 0.134 0.000 0.278 152 P C -1.608 175.822 177.300 0.215 0.000 1.266 152 P CA -1.034 62.171 63.100 0.175 0.000 0.807 152 P CB 1.828 33.600 31.700 0.121 0.000 1.094 153 D N -2.533 117.967 120.400 0.168 0.000 2.262 153 D HA -0.042 4.664 4.640 0.110 0.000 0.212 153 D C -0.654 175.792 176.300 0.244 0.000 0.964 153 D CA 1.878 55.966 54.000 0.147 0.000 0.875 153 D CB 0.846 41.702 40.800 0.092 0.000 0.996 153 D HN 0.397 8.847 8.370 0.132 0.000 0.497 154 V N -7.312 112.739 119.914 0.229 0.000 2.975 154 V HA 0.654 5.172 4.120 0.395 -0.160 0.318 154 V C -0.575 175.572 176.094 0.088 0.000 1.077 154 V CA -2.524 59.923 62.300 0.245 0.000 1.000 154 V CB 2.061 33.950 31.823 0.109 0.000 1.066 154 V HN -0.970 7.315 8.190 0.158 0.000 0.452 155 L N 1.719 122.867 121.223 -0.125 0.000 2.453 155 L HA -0.049 3.476 4.340 -1.359 0.000 0.272 155 L C -0.508 176.106 176.870 -0.427 0.000 1.182 155 L CA 0.807 55.218 54.840 -0.715 0.000 0.858 155 L CB 0.617 42.230 42.059 -0.743 0.000 1.120 155 L HN -0.211 8.230 8.230 0.078 -0.164 0.474 156 K N 5.263 125.384 120.400 -0.466 0.000 2.203 156 K HA 0.649 4.928 4.320 -0.334 -0.159 0.251 156 K C -1.203 175.144 176.600 -0.421 0.000 0.944 156 K CA -2.547 53.528 56.287 -0.355 0.000 0.829 156 K CB 2.479 34.838 32.500 -0.236 0.000 1.125 156 K HN -0.216 7.673 8.250 -0.602 0.000 0.430 157 c N -0.111 118.144 118.600 -0.576 0.000 2.707 157 c HA 0.962 5.475 4.570 -0.388 -0.176 0.313 157 c C -1.804 171.929 174.090 -0.595 0.000 1.209 157 c CA -0.777 55.166 56.329 -0.644 0.000 1.635 157 c CB 3.556 45.531 42.510 -0.891 0.000 2.206 157 c HN 0.797 8.616 8.230 -0.685 0.000 0.485 158 L N 1.210 122.294 121.223 -0.232 0.000 2.493 158 L HA 0.455 4.849 4.340 0.090 0.000 0.265 158 L C -2.566 174.377 176.870 0.121 0.000 0.954 158 L CA 0.066 54.913 54.840 0.013 0.000 0.844 158 L CB 4.566 46.647 42.059 0.037 0.000 1.302 158 L HN 0.870 8.998 8.230 -0.169 0.000 0.405 159 K N 6.216 126.752 120.400 0.227 0.000 2.183 159 K HA 0.821 5.421 4.320 0.132 -0.201 0.274 159 K C -1.090 175.641 176.600 0.218 0.000 1.009 159 K CA -0.710 55.689 56.287 0.186 0.000 0.888 159 K CB 1.509 34.122 32.500 0.188 0.000 1.078 159 K HN 0.310 8.732 8.250 0.286 0.000 0.459 160 A N 3.335 126.222 122.820 0.111 0.000 2.549 160 A HA 0.706 5.041 4.320 0.025 0.000 0.297 160 A C -3.473 174.050 177.584 -0.101 0.000 1.061 160 A CA -2.731 49.310 52.037 0.007 0.000 0.690 160 A CB 3.145 22.154 19.000 0.015 0.000 1.287 160 A HN 0.924 9.108 8.150 0.057 0.000 0.402 161 P HA 0.767 5.332 4.420 -0.107 -0.210 0.287 161 P C -1.124 176.099 177.300 -0.128 0.000 1.270 161 P CA -1.485 61.522 63.100 -0.154 0.000 0.844 161 P CB 1.692 33.296 31.700 -0.160 0.000 1.068 162 I N 0.338 120.847 120.570 -0.103 0.000 2.529 162 I HA -0.025 4.278 4.170 0.039 -0.110 0.284 162 I C 0.166 176.258 176.117 -0.041 0.000 1.082 162 I CA 0.451 61.712 61.300 -0.064 0.000 1.406 162 I CB 0.312 38.188 38.000 -0.207 0.000 1.405 162 I HN 0.158 8.299 8.210 -0.115 0.000 0.548 163 L N 6.324 127.560 121.223 0.023 0.000 2.431 163 L HA 0.283 4.609 4.340 -0.024 0.000 0.260 163 L C -0.030 176.853 176.870 0.021 0.000 1.098 163 L CA -1.009 53.837 54.840 0.009 0.000 0.800 163 L CB 0.723 42.799 42.059 0.029 0.000 1.210 163 L HN 0.259 8.442 8.230 0.102 0.108 0.465 164 S N -2.060 113.647 115.700 0.013 0.000 2.603 164 S HA -0.063 4.411 4.470 0.006 0.000 0.268 164 S C 0.662 175.286 174.600 0.039 0.000 1.317 164 S CA -0.740 57.469 58.200 0.015 0.000 1.012 164 S CB 1.821 65.024 63.200 0.006 0.000 0.926 164 S HN 0.084 8.397 8.310 0.005 0.000 0.539 165 D N 2.294 122.719 120.400 0.042 0.000 2.178 165 D HA -0.218 4.471 4.640 0.081 0.000 0.201 165 D C 1.837 178.168 176.300 0.052 0.000 0.980 165 D CA 3.052 57.088 54.000 0.059 0.000 0.842 165 D CB -0.274 40.559 40.800 0.054 0.000 0.948 165 D HN 0.676 9.063 8.370 0.029 0.000 0.472 166 S N -1.085 114.636 115.700 0.035 0.000 2.368 166 S HA -0.298 4.193 4.470 0.034 0.000 0.224 166 S C 2.088 176.705 174.600 0.029 0.000 1.029 166 S CA 3.702 61.920 58.200 0.030 0.000 0.988 166 S CB -0.185 63.026 63.200 0.019 0.000 0.838 166 S HN 0.066 8.382 8.310 0.028 0.010 0.462 167 S N 3.547 119.263 115.700 0.026 0.000 2.368 167 S HA -0.257 4.218 4.470 0.008 0.000 0.224 167 S C 1.765 176.383 174.600 0.030 0.000 1.029 167 S CA 3.998 62.209 58.200 0.018 0.000 0.988 167 S CB -0.158 63.049 63.200 0.012 0.000 0.838 167 S HN -0.570 7.755 8.310 0.025 0.000 0.462 168 c N 3.307 121.944 118.600 0.062 0.000 2.413 168 c HA -0.329 4.311 4.570 0.117 0.000 0.277 168 c C 1.767 175.937 174.090 0.134 0.000 1.228 168 c CA 2.826 59.222 56.329 0.111 0.000 1.731 168 c CB -1.681 40.905 42.510 0.127 0.000 2.042 168 c HN 0.067 8.333 8.230 0.061 0.000 0.468 169 K N -1.540 118.923 120.400 0.106 0.000 2.211 169 K HA -0.295 4.117 4.320 0.154 0.000 0.203 169 K C 2.312 178.956 176.600 0.073 0.000 1.050 169 K CA 2.900 59.251 56.287 0.107 0.000 0.945 169 K CB -0.338 32.211 32.500 0.081 0.000 0.732 169 K HN 0.094 8.396 8.250 0.087 0.000 0.451 170 S N -1.291 114.430 115.700 0.036 0.000 2.436 170 S HA -0.158 4.320 4.470 0.014 0.000 0.228 170 S C 1.287 175.863 174.600 -0.039 0.000 1.014 170 S CA 2.459 60.661 58.200 0.005 0.000 0.950 170 S CB -0.094 63.103 63.200 -0.005 0.000 0.784 170 S HN -0.280 7.927 8.310 0.037 0.125 0.504 171 A N -0.124 122.645 122.820 -0.084 0.000 1.930 171 A HA -0.072 4.101 4.320 -0.245 0.000 0.215 171 A C -0.259 177.073 177.584 -0.421 0.000 1.176 171 A CA 1.904 53.765 52.037 -0.294 0.000 0.632 171 A CB 0.911 19.663 19.000 -0.415 0.000 0.819 171 A HN -0.612 7.392 8.150 -0.034 0.126 0.445 172 Y N -5.460 114.870 120.300 0.051 0.000 2.495 172 Y HA 0.506 5.123 4.550 0.112 0.000 0.362 172 Y C -2.363 173.595 175.900 0.096 0.000 0.956 172 Y CA -3.702 54.460 58.100 0.104 0.000 1.127 172 Y CB -0.337 38.219 38.460 0.160 0.000 1.173 172 Y HN -0.434 7.893 8.280 0.078 0.000 0.639 173 P HA -0.124 4.482 4.420 0.106 -0.122 0.262 173 P C 0.944 178.314 177.300 0.118 0.000 1.182 173 P CA 1.126 64.294 63.100 0.112 0.000 0.761 173 P CB 0.036 31.774 31.700 0.063 0.000 0.795 174 G N 4.046 112.905 108.800 0.097 0.000 2.196 174 G HA2 -0.380 3.616 3.960 0.059 0.000 0.268 174 G HA3 -0.380 3.614 3.960 0.055 0.000 0.268 174 G C 0.165 175.113 174.900 0.081 0.000 0.975 174 G CA 0.739 45.883 45.100 0.072 0.000 0.648 174 G HN 0.544 8.889 8.290 0.092 0.000 0.538 175 Q N -2.300 117.585 119.800 0.142 0.000 2.217 175 Q HA 0.090 4.455 4.340 0.041 0.000 0.217 175 Q C -0.696 175.427 176.000 0.206 0.000 0.844 175 Q CA -0.531 55.355 55.803 0.137 0.000 0.957 175 Q CB 1.396 30.254 28.738 0.199 0.000 1.127 175 Q HN -0.263 8.052 8.270 0.190 0.069 0.503 176 I N 0.318 121.005 120.570 0.194 0.000 2.321 176 I HA 0.128 4.438 4.170 0.235 0.000 0.291 176 I C 0.069 176.258 176.117 0.121 0.000 0.998 176 I CA -2.440 58.969 61.300 0.182 0.000 1.227 176 I CB -0.650 37.451 38.000 0.168 0.000 1.368 176 I HN -0.458 7.854 8.210 0.169 0.000 0.466 177 T N 3.986 118.608 114.554 0.113 0.000 2.910 177 T HA 0.401 4.787 4.350 0.060 0.000 0.279 177 T C 0.657 175.405 174.700 0.079 0.000 0.989 177 T CA -1.932 60.213 62.100 0.075 0.000 0.968 177 T CB 2.107 71.008 68.868 0.056 0.000 1.135 177 T HN -0.292 8.032 8.240 0.141 0.000 0.562 178 S N -2.328 113.404 115.700 0.053 0.000 2.547 178 S HA -0.215 4.292 4.470 0.062 0.000 0.235 178 S C 0.079 174.716 174.600 0.061 0.000 0.980 178 S CA 1.988 60.217 58.200 0.048 0.000 0.941 178 S CB -0.183 63.026 63.200 0.015 0.000 0.763 178 S HN 0.263 8.595 8.310 0.036 0.000 0.532 179 N N 0.317 119.064 118.700 0.078 0.000 2.251 179 N HA 0.105 4.902 4.740 0.096 0.000 0.217 179 N C -1.765 173.861 175.510 0.193 0.000 1.124 179 N CA -0.348 52.779 53.050 0.129 0.000 0.843 179 N CB 0.764 39.344 38.487 0.156 0.000 1.024 179 N HN -0.639 7.704 8.380 0.074 0.082 0.501 180 M N -1.421 118.278 119.600 0.166 0.000 2.593 180 M HA 0.852 5.587 4.480 0.079 -0.208 0.290 180 M C -2.436 173.978 176.300 0.191 0.000 1.244 180 M CA -0.408 54.965 55.300 0.123 0.000 0.857 180 M CB 5.273 37.929 32.600 0.093 0.000 1.738 180 M HN -0.703 7.586 8.290 0.147 0.090 0.461 181 F N -5.976 114.021 119.950 0.078 0.000 2.668 181 F HA 0.611 5.169 4.527 0.052 0.000 0.309 181 F C -2.884 172.969 175.800 0.087 0.000 1.117 181 F CA -1.572 56.470 58.000 0.070 0.000 0.951 181 F CB 2.396 41.435 39.000 0.065 0.000 1.323 181 F HN 0.214 8.357 8.300 -0.262 0.000 0.451 182 c N -0.041 118.738 118.600 0.298 0.000 2.365 182 c HA 0.985 5.798 4.570 0.082 -0.194 0.349 182 c C -1.049 173.253 174.090 0.353 0.000 1.191 182 c CA -1.096 55.355 56.329 0.204 0.000 2.114 182 c CB 2.624 45.215 42.510 0.135 0.000 2.367 182 c HN 0.964 9.389 8.230 0.326 0.000 0.530 183 A N 2.654 125.661 122.820 0.312 0.000 2.530 183 A HA 0.691 5.222 4.320 0.092 -0.155 0.279 183 A C -2.145 175.501 177.584 0.103 0.000 1.109 183 A CA -0.468 51.665 52.037 0.161 0.000 0.763 183 A CB 2.625 21.636 19.000 0.017 0.000 1.257 183 A HN 0.565 8.923 8.150 0.346 0.000 0.424 184 Y N 3.038 123.371 120.300 0.055 0.000 2.335 184 Y HA -0.098 4.472 4.550 0.032 0.000 0.331 184 Y C 0.165 176.081 175.900 0.026 0.000 1.094 184 Y CA 0.645 58.766 58.100 0.036 0.000 1.253 184 Y CB 1.011 39.490 38.460 0.032 0.000 1.203 184 Y HN 0.256 8.680 8.280 0.239 0.000 0.508 185 L N 1.168 122.468 121.223 0.129 0.000 2.418 185 L HA -0.149 4.221 4.340 0.049 0.000 0.218 185 L C 1.116 178.028 176.870 0.070 0.000 1.125 185 L CA 1.518 56.398 54.840 0.067 0.000 0.835 185 L CB -0.161 41.916 42.059 0.030 0.000 0.953 185 L HN 0.321 8.621 8.230 0.117 0.000 0.454 186 E N -1.056 119.206 120.200 0.103 0.000 2.358 186 E HA -0.113 4.262 4.350 0.043 0.000 0.195 186 E C 0.563 177.195 176.600 0.053 0.000 1.010 186 E CA 0.404 56.843 56.400 0.064 0.000 0.856 186 E CB -0.249 29.485 29.700 0.058 0.000 0.795 186 E HN 0.066 8.477 8.360 0.158 0.044 0.504 187 G N 0.522 109.371 108.800 0.081 0.000 3.391 187 G HA2 -0.334 3.699 3.960 0.076 0.000 0.683 187 G HA3 -0.334 3.649 3.960 0.038 0.000 0.683 187 G C -0.925 173.992 174.900 0.029 0.000 1.071 187 G CA -0.301 44.834 45.100 0.058 0.000 0.904 187 G HN -0.859 7.475 8.290 0.132 0.035 0.452 188 K N 1.086 121.481 120.400 -0.009 0.000 7.036 188 K HA -0.595 3.986 4.320 0.001 -0.260 0.759 188 K C -1.491 175.200 176.600 0.152 0.000 2.417 188 K CA 0.322 56.616 56.287 0.011 0.000 1.750 188 K CB -0.123 32.266 32.500 -0.185 0.000 1.984 188 K HN 0.229 8.500 8.250 0.035 0.000 0.300 189 D N 0.737 121.211 120.400 0.123 0.000 2.764 189 D HA 0.318 5.081 4.640 0.204 0.000 0.293 189 D C -1.930 174.439 176.300 0.115 0.000 1.287 189 D CA -0.569 53.519 54.000 0.148 0.000 0.768 189 D CB 4.434 45.302 40.800 0.114 0.000 1.288 189 D HN 0.163 8.580 8.370 0.079 0.000 0.426 190 S N -1.574 114.209 115.700 0.138 0.000 2.707 190 S HA 0.377 4.963 4.470 0.089 -0.063 0.276 190 S C -1.377 173.269 174.600 0.077 0.000 1.179 190 S CA -0.631 57.640 58.200 0.117 0.000 0.992 190 S CB 1.859 65.174 63.200 0.191 0.000 1.030 190 S HN 0.228 8.641 8.310 0.172 0.000 0.554 191 c N -2.223 116.424 118.600 0.079 0.000 3.293 191 c HA 0.231 4.839 4.570 0.063 0.000 0.362 191 c C -1.461 172.703 174.090 0.123 0.000 1.539 191 c CA -0.745 55.629 56.329 0.075 0.000 1.201 191 c CB 2.902 45.436 42.510 0.040 0.000 1.770 191 c HN 0.269 8.850 8.230 0.095 -0.294 0.440 192 Q N 1.773 121.655 119.800 0.137 0.000 2.315 192 Q HA -0.250 4.227 4.340 0.228 0.000 0.289 192 Q C 1.081 177.252 176.000 0.285 0.000 1.044 192 Q CA 1.803 57.732 55.803 0.210 0.000 0.920 192 Q CB 0.549 29.406 28.738 0.198 0.000 1.214 192 Q HN 0.461 8.793 8.270 0.103 0.000 0.392 193 G N 6.802 115.792 108.800 0.318 0.000 2.313 193 G HA2 -0.400 3.922 3.960 0.351 0.000 0.215 193 G HA3 -0.400 3.899 3.960 0.564 0.000 0.215 193 G C 0.782 175.916 174.900 0.390 0.000 1.023 193 G CA 0.984 46.334 45.100 0.417 0.000 0.626 193 G HN 0.314 8.775 8.290 0.284 0.000 0.503 194 D N 2.870 123.435 120.400 0.275 0.000 2.305 194 D HA 0.035 4.817 4.640 0.236 0.000 0.206 194 D C 0.073 176.480 176.300 0.177 0.000 0.974 194 D CA 1.295 55.422 54.000 0.211 0.000 0.871 194 D CB 0.456 41.345 40.800 0.149 0.000 0.947 194 D HN 0.047 8.457 8.370 0.245 0.107 0.516 195 S N -0.208 115.599 115.700 0.179 0.000 2.643 195 S HA -0.412 4.317 4.470 0.203 -0.137 0.310 195 S C 1.196 175.812 174.600 0.026 0.000 1.253 195 S CA 2.209 60.492 58.200 0.139 0.000 1.047 195 S CB -0.681 62.591 63.200 0.121 0.000 0.767 195 S HN -0.585 7.896 8.310 0.212 -0.044 0.498 196 G N 5.004 113.815 108.800 0.017 0.000 2.253 196 G HA2 -0.467 3.563 3.960 -0.009 0.000 0.251 196 G HA3 -0.467 3.570 3.960 -0.054 -0.110 0.251 196 G C -0.058 174.883 174.900 0.067 0.000 0.998 196 G CA 0.479 45.579 45.100 -0.001 0.000 0.621 196 G HN 0.855 9.087 8.290 0.072 0.101 0.524 197 G N 0.964 109.827 108.800 0.104 0.000 2.621 197 G HA2 0.350 4.457 3.960 0.128 0.000 0.271 197 G HA3 0.350 4.387 3.960 0.127 0.000 0.271 197 G C -2.658 172.329 174.900 0.145 0.000 1.236 197 G CA -1.951 43.226 45.100 0.128 0.000 0.958 197 G HN -0.151 8.109 8.290 0.111 0.096 0.512 198 P HA 0.363 4.988 4.420 0.134 -0.125 0.281 198 P C -1.584 175.786 177.300 0.117 0.000 1.249 198 P CA -0.890 62.303 63.100 0.155 0.000 0.810 198 P CB 1.629 33.475 31.700 0.243 0.000 1.008 199 V N 2.406 122.368 119.914 0.079 0.000 2.419 199 V HA 0.260 4.538 4.120 -0.006 -0.161 0.287 199 V C -1.360 174.746 176.094 0.019 0.000 1.017 199 V CA -0.410 61.900 62.300 0.016 0.000 0.844 199 V CB 1.716 33.525 31.823 -0.023 0.000 1.011 199 V HN -0.215 8.026 8.190 0.085 0.000 0.429 200 V N 7.984 127.901 119.914 0.005 0.000 2.459 200 V HA 0.622 4.896 4.120 -0.064 -0.193 0.295 200 V C -1.338 174.738 176.094 -0.030 0.000 1.029 200 V CA -1.237 61.039 62.300 -0.040 0.000 0.874 200 V CB 2.910 34.691 31.823 -0.070 0.000 0.985 200 V HN 0.641 8.848 8.190 0.029 0.000 0.438 201 c N 7.627 126.196 118.600 -0.051 0.000 2.431 201 c HA 0.566 5.114 4.570 -0.038 0.000 0.321 201 c C 0.139 174.199 174.090 -0.049 0.000 1.202 201 c CA -1.231 55.066 56.329 -0.053 0.000 1.398 201 c CB 1.823 44.281 42.510 -0.087 0.000 2.047 201 c HN 0.828 9.020 8.230 -0.062 0.000 0.465 202 S N 6.023 121.702 115.700 -0.034 0.000 3.559 202 S HA -0.395 4.065 4.470 -0.016 0.000 0.369 202 S C 0.224 174.806 174.600 -0.031 0.000 0.987 202 S CA 1.068 59.252 58.200 -0.027 0.000 1.187 202 S CB -0.682 62.498 63.200 -0.033 0.000 0.914 202 S HN 0.957 9.252 8.310 -0.025 0.000 0.480 203 G N -4.534 104.247 108.800 -0.032 0.000 2.168 203 G HA2 -0.351 3.578 3.960 -0.052 0.000 0.257 203 G HA3 -0.351 3.591 3.960 -0.031 0.000 0.257 203 G C -0.699 174.152 174.900 -0.082 0.000 0.997 203 G CA 0.540 45.611 45.100 -0.049 0.000 0.708 203 G HN 0.230 8.502 8.290 -0.023 0.004 0.520 210 Q N 1.219 121.042 119.800 0.038 0.000 2.392 210 Q HA 0.189 4.573 4.340 0.074 0.000 0.219 210 Q C -0.250 175.924 176.000 0.289 0.000 0.895 210 Q CA 0.170 56.022 55.803 0.082 0.000 0.929 210 Q CB 2.520 31.224 28.738 -0.057 0.000 1.077 210 Q HN 0.383 8.663 8.270 0.018 0.000 0.532 211 G N -3.148 105.830 108.800 0.297 0.000 2.694 211 G HA2 0.598 5.058 3.960 0.402 0.000 0.290 211 G HA3 0.598 4.825 3.960 0.446 0.000 0.290 211 G C -3.292 171.734 174.900 0.211 0.000 1.386 211 G CA -0.646 44.670 45.100 0.359 0.000 0.872 211 G HN -0.402 7.996 8.290 0.181 0.000 0.475 212 I N -1.446 119.245 120.570 0.201 0.000 2.498 212 I HA 0.618 5.128 4.170 0.171 -0.238 0.290 212 I C -0.382 175.876 176.117 0.236 0.000 1.032 212 I CA -1.558 59.847 61.300 0.175 0.000 1.073 212 I CB 4.393 42.454 38.000 0.102 0.000 1.251 212 I HN -0.394 8.000 8.210 0.179 -0.077 0.426 213 V N 7.010 127.073 119.914 0.249 0.000 2.458 213 V HA -0.181 4.001 4.120 0.102 0.000 0.287 213 V C -1.204 174.938 176.094 0.081 0.000 1.009 213 V CA 1.992 64.394 62.300 0.170 0.000 1.091 213 V CB -1.178 30.762 31.823 0.196 0.000 0.960 213 V HN 0.342 8.661 8.190 0.214 0.000 0.476 214 S N 7.989 123.631 115.700 -0.095 0.000 3.200 214 S HA 0.364 5.060 4.470 0.375 0.000 0.209 214 S C -0.874 173.777 174.600 0.086 0.000 0.869 214 S CA 0.988 59.256 58.200 0.114 0.000 0.820 214 S CB 2.442 65.697 63.200 0.091 0.000 0.834 214 S HN -0.116 7.921 8.310 -0.455 0.000 0.622 215 W N -4.095 117.015 121.300 -0.317 0.000 2.940 215 W HA 0.280 4.796 4.660 -0.241 0.000 0.394 215 W C -2.982 173.352 176.519 -0.308 0.000 1.155 215 W CA -0.849 56.319 57.345 -0.296 0.000 1.165 215 W CB 0.829 30.109 29.460 -0.300 0.000 1.492 215 W HN -0.277 7.594 8.180 -0.515 0.000 0.593 216 G N -3.337 105.486 108.800 0.037 0.000 2.338 216 G HA2 0.044 3.705 3.960 -0.498 0.000 0.295 216 G HA3 0.044 3.926 3.960 -0.130 0.000 0.295 216 G C -2.392 172.630 174.900 0.202 0.000 1.461 216 G CA 0.182 45.218 45.100 -0.107 0.000 0.817 216 G HN -0.043 8.468 8.290 0.368 0.000 0.556 220 c N 2.151 120.784 118.600 0.054 0.000 3.471 220 c HA 0.323 5.073 4.570 0.052 -0.148 0.191 220 c C -1.527 172.590 174.090 0.045 0.000 1.480 220 c CA -0.754 55.603 56.329 0.048 0.000 1.281 220 c CB -1.206 41.326 42.510 0.036 0.000 1.898 220 c HN 0.321 8.580 8.230 0.048 0.000 0.533 221 Q N -1.570 118.258 119.800 0.047 0.000 2.920 221 Q HA 0.141 4.497 4.340 0.028 0.000 0.255 221 Q C -1.473 174.545 176.000 0.029 0.000 0.976 221 Q CA -0.608 55.216 55.803 0.034 0.000 0.862 221 Q CB 2.358 31.116 28.738 0.034 0.000 1.952 221 Q HN 0.208 8.511 8.270 0.055 0.000 0.489 222 K N 3.655 124.066 120.400 0.018 0.000 2.382 222 K HA -0.245 4.201 4.320 0.026 -0.110 0.275 222 K C 0.200 176.793 176.600 -0.011 0.000 1.009 222 K CA 0.642 56.936 56.287 0.012 0.000 0.970 222 K CB 0.062 32.567 32.500 0.008 0.000 0.934 222 K HN 0.251 8.510 8.250 0.016 0.000 0.479 223 N N 1.787 120.476 118.700 -0.017 0.000 2.732 223 N HA -0.475 4.235 4.740 -0.050 0.000 0.250 223 N C -1.615 173.812 175.510 -0.138 0.000 1.097 223 N CA 1.828 54.840 53.050 -0.063 0.000 0.812 223 N CB -0.354 38.093 38.487 -0.067 0.000 1.148 223 N HN 0.778 9.035 8.380 0.005 0.127 0.572 224 K N -2.177 118.166 120.400 -0.094 0.000 2.762 224 K HA 0.539 4.617 4.320 -0.403 0.000 0.180 224 K C -2.355 174.271 176.600 0.042 0.000 1.067 224 K CA -3.511 52.700 56.287 -0.126 0.000 0.973 224 K CB -0.265 32.219 32.500 -0.026 0.000 1.290 224 K HN -0.779 7.378 8.250 -0.031 0.074 0.604 225 P HA -0.062 4.418 4.420 0.099 0.000 0.273 225 P C -0.394 176.956 177.300 0.083 0.000 1.250 225 P CA -0.388 62.774 63.100 0.103 0.000 0.793 225 P CB 1.135 32.888 31.700 0.088 0.000 1.011 226 G N -2.444 106.379 108.800 0.038 0.000 2.476 226 G HA2 0.344 4.119 3.960 -0.309 0.000 0.269 226 G HA3 0.344 4.275 3.960 -0.176 -0.076 0.269 226 G C -1.871 172.737 174.900 -0.488 0.000 1.195 226 G CA -0.771 44.188 45.100 -0.237 0.000 0.843 226 G HN -0.380 7.991 8.290 0.134 0.000 0.545 227 V N 1.963 121.248 119.914 -1.049 0.000 2.555 227 V HA 0.631 4.519 4.120 -0.663 -0.166 0.302 227 V C -0.955 174.368 176.094 -1.284 0.000 1.038 227 V CA -1.024 60.609 62.300 -1.112 0.000 0.887 227 V CB 2.232 32.958 31.823 -1.829 0.000 0.991 227 V HN 0.523 8.049 8.190 -1.107 0.000 0.434 228 Y N 4.899 124.783 120.300 -0.694 0.000 2.536 228 Y HA 0.599 5.063 4.550 -0.375 -0.139 0.347 228 Y C 0.210 175.803 175.900 -0.511 0.000 1.000 228 Y CA -2.211 55.491 58.100 -0.663 0.000 1.051 228 Y CB 3.864 41.651 38.460 -1.122 0.000 1.259 228 Y HN 1.024 8.914 8.280 -0.650 0.000 0.468 229 T N 4.717 119.227 114.554 -0.074 0.000 2.851 229 T HA 0.022 4.575 4.350 0.090 -0.148 0.298 229 T C -0.685 174.134 174.700 0.199 0.000 0.977 229 T CA 1.464 63.604 62.100 0.068 0.000 1.126 229 T CB 0.508 69.403 68.868 0.047 0.000 0.916 229 T HN 0.488 8.723 8.240 -0.008 0.000 0.529 230 K N 8.371 128.975 120.400 0.340 0.000 2.127 230 K HA 0.100 4.840 4.320 0.701 0.000 0.261 230 K C 1.064 177.924 176.600 0.433 0.000 1.129 230 K CA -0.559 56.016 56.287 0.480 0.000 0.993 230 K CB -0.402 32.337 32.500 0.398 0.000 1.410 230 K HN 0.151 8.484 8.250 0.313 0.105 0.380 231 V N 5.991 126.140 119.914 0.392 0.000 2.380 231 V HA -0.561 3.845 4.120 0.477 0.000 0.251 231 V C 1.428 177.690 176.094 0.280 0.000 1.063 231 V CA 4.021 66.534 62.300 0.355 0.000 1.055 231 V CB -0.326 31.635 31.823 0.231 0.000 0.657 231 V HN 0.250 8.682 8.190 0.404 0.000 0.455 232 c N -3.604 115.100 118.600 0.173 0.000 2.409 232 c HA -0.230 4.391 4.570 0.085 0.000 0.284 232 c C 1.808 175.927 174.090 0.048 0.000 1.354 232 c CA 1.746 58.127 56.329 0.088 0.000 1.787 232 c CB -2.087 40.445 42.510 0.036 0.000 1.900 232 c HN 0.465 8.784 8.230 0.173 0.015 0.520 233 N N 0.912 119.614 118.700 0.004 0.000 2.494 233 N HA -0.096 4.555 4.740 -0.147 0.000 0.182 233 N C 0.302 175.580 175.510 -0.386 0.000 1.076 233 N CA 1.244 54.156 53.050 -0.231 0.000 0.908 233 N CB -0.150 38.081 38.487 -0.426 0.000 0.967 233 N HN -0.270 8.125 8.380 0.088 0.038 0.449 234 Y N -4.786 115.586 120.300 0.120 0.000 2.557 234 Y HA 0.171 4.862 4.550 0.235 0.000 0.247 234 Y C -0.050 175.987 175.900 0.229 0.000 1.164 234 Y CA -0.668 57.560 58.100 0.213 0.000 1.218 234 Y CB -0.089 38.520 38.460 0.248 0.000 1.210 234 Y HN -0.087 8.129 8.280 0.212 0.191 0.529 235 V N 1.253 121.307 119.914 0.233 0.000 2.287 235 V HA -0.582 3.632 4.120 0.157 0.000 0.248 235 V C 1.311 177.477 176.094 0.120 0.000 1.053 235 V CA 5.049 67.440 62.300 0.151 0.000 1.027 235 V CB -0.533 31.341 31.823 0.084 0.000 0.646 235 V HN -0.851 7.439 8.190 0.167 0.000 0.447 236 S N -0.363 115.408 115.700 0.118 0.000 2.383 236 S HA -0.304 4.186 4.470 0.033 0.000 0.227 236 S C 1.713 176.381 174.600 0.114 0.000 1.026 236 S CA 3.355 61.605 58.200 0.083 0.000 0.981 236 S CB -0.420 62.825 63.200 0.075 0.000 0.818 236 S HN 0.164 8.542 8.310 0.115 0.000 0.472 237 W N 3.980 125.320 121.300 0.067 0.000 2.358 237 W HA -0.157 4.532 4.660 0.048 0.000 0.303 237 W C 1.536 178.074 176.519 0.032 0.000 1.208 237 W CA 2.975 60.371 57.345 0.086 0.000 1.274 237 W CB 0.027 29.627 29.460 0.233 0.000 1.138 237 W HN -0.427 7.969 8.180 0.378 0.011 0.515 238 I N -0.586 119.989 120.570 0.009 0.000 2.142 238 I HA -0.763 3.034 4.170 -0.621 0.000 0.240 238 I C 1.790 177.680 176.117 -0.379 0.000 1.078 238 I CA 4.592 65.721 61.300 -0.285 0.000 1.343 238 I CB -0.252 37.734 38.000 -0.024 0.000 1.046 238 I HN 0.415 8.815 8.210 0.317 0.000 0.405 239 K N -0.930 119.342 120.400 -0.213 0.000 2.032 239 K HA -0.439 3.729 4.320 -0.253 0.000 0.209 239 K C 2.782 179.229 176.600 -0.256 0.000 1.048 239 K CA 3.814 59.971 56.287 -0.216 0.000 0.927 239 K CB -0.375 32.058 32.500 -0.112 0.000 0.712 239 K HN -0.105 8.085 8.250 -0.100 0.000 0.441 240 Q N -1.691 117.970 119.800 -0.233 0.000 2.084 240 Q HA -0.295 3.950 4.340 -0.160 0.000 0.202 240 Q C 2.764 178.574 176.000 -0.317 0.000 0.978 240 Q CA 3.103 58.776 55.803 -0.216 0.000 0.844 240 Q CB 0.012 28.667 28.738 -0.139 0.000 0.898 240 Q HN 0.067 8.223 8.270 -0.190 0.000 0.426 241 T N 2.736 116.974 114.554 -0.527 0.000 2.708 241 T HA -0.289 3.812 4.350 -0.414 0.000 0.266 241 T C 2.262 176.646 174.700 -0.528 0.000 1.037 241 T CA 5.034 66.781 62.100 -0.587 0.000 1.146 241 T CB -0.180 68.071 68.868 -1.029 0.000 0.865 241 T HN -0.072 7.784 8.240 -0.640 0.000 0.435 242 I N 0.724 120.868 120.570 -0.709 0.000 2.286 242 I HA -0.441 2.958 4.170 -1.285 0.000 0.248 242 I C 1.868 177.759 176.117 -0.377 0.000 1.115 242 I CA 3.727 64.489 61.300 -0.897 0.000 1.392 242 I CB -0.357 37.011 38.000 -1.053 0.000 1.065 242 I HN 0.143 7.931 8.210 -0.703 0.000 0.418 243 A N -0.493 122.160 122.820 -0.278 0.000 2.067 243 A HA -0.150 4.110 4.320 -0.100 0.000 0.219 243 A C 0.545 178.082 177.584 -0.079 0.000 1.158 243 A CA 2.894 54.849 52.037 -0.136 0.000 0.661 243 A CB -0.344 18.585 19.000 -0.118 0.000 0.801 243 A HN 0.102 8.050 8.150 -0.324 0.008 0.452 244 S N -4.713 110.929 115.700 -0.096 0.000 2.572 244 S HA 0.105 4.563 4.470 -0.020 0.000 0.228 244 S C -0.302 174.305 174.600 0.013 0.000 0.963 244 S CA -0.103 58.074 58.200 -0.039 0.000 0.939 244 S CB 0.843 64.010 63.200 -0.055 0.000 0.804 244 S HN -0.485 7.581 8.310 -0.164 0.145 0.480 245 N N 0.000 118.738 118.700 0.063 0.000 1.763 245 N HA 0.000 4.816 4.740 0.128 0.000 0.220 245 N CA 0.000 53.165 53.050 0.192 0.000 0.885 245 N CB 0.000 38.673 38.487 0.310 0.000 1.341 245 N HN 0.000 8.232 8.380 0.028 0.165 0.667