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 1o35_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 4.187 4.170 0.029 0.000 0.288 16 I C 0.000 176.112 176.117 -0.008 0.000 1.063 16 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 16 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 17 V N 6.073 125.993 119.914 0.010 0.000 2.435 17 V HA 0.235 4.480 4.120 -0.010 -0.132 0.290 17 V C 0.532 176.629 176.094 0.005 0.000 1.030 17 V CA -1.526 60.776 62.300 0.003 0.000 0.881 17 V CB 1.198 33.029 31.823 0.012 0.000 0.983 17 V HN 0.854 9.062 8.190 0.031 0.000 0.445 18 G N 6.875 115.672 108.800 -0.005 0.000 2.160 18 G HA2 -0.391 3.563 3.960 -0.011 0.000 0.251 18 G HA3 -0.391 3.726 3.960 -0.027 -0.173 0.251 18 G C -0.644 174.263 174.900 0.012 0.000 1.008 18 G CA 0.454 45.548 45.100 -0.010 0.000 0.724 18 G HN 0.795 9.081 8.290 -0.008 0.000 0.514 19 G N -0.971 107.835 108.800 0.010 0.000 2.702 19 G HA2 0.524 4.516 3.960 0.085 0.000 0.254 19 G HA3 0.524 4.524 3.960 -0.089 -0.094 0.254 19 G C -1.725 173.222 174.900 0.077 0.000 1.380 19 G CA -1.032 44.074 45.100 0.010 0.000 1.042 19 G HN -0.647 7.605 8.290 -0.008 0.034 0.557 20 Y N -6.240 114.042 120.300 -0.030 0.000 2.609 20 Y HA 0.385 4.919 4.550 -0.027 0.000 0.342 20 Y C -1.798 174.077 175.900 -0.042 0.000 1.058 20 Y CA -2.837 55.244 58.100 -0.031 0.000 1.055 20 Y CB 1.162 39.606 38.460 -0.026 0.000 1.292 20 Y HN 0.371 8.215 8.280 -0.550 0.106 0.476 21 T N 2.709 117.327 114.554 0.107 0.000 2.799 21 T HA 0.072 4.503 4.350 -0.079 -0.129 0.296 21 T C 0.302 175.031 174.700 0.049 0.000 0.947 21 T CA 1.174 63.282 62.100 0.013 0.000 1.141 21 T CB -0.161 68.736 68.868 0.049 0.000 0.891 21 T HN 0.036 8.384 8.240 0.180 0.000 0.533 22 c N 6.455 124.992 118.600 -0.105 0.000 2.432 22 c HA -0.082 4.496 4.570 0.012 0.000 0.277 22 c C 0.277 174.389 174.090 0.037 0.000 1.249 22 c CA 0.801 57.097 56.329 -0.054 0.000 1.725 22 c CB 0.232 42.639 42.510 -0.173 0.000 2.028 22 c HN 0.049 8.165 8.230 -0.190 0.000 0.477 23 G N -2.183 106.620 108.800 0.006 0.000 2.697 23 G HA2 -0.160 3.817 3.960 0.028 0.000 0.684 23 G HA3 -0.160 3.819 3.960 0.032 0.000 0.684 23 G C -1.979 172.922 174.900 0.002 0.000 1.274 23 G CA -0.909 44.203 45.100 0.021 0.000 0.806 23 G HN -0.334 7.942 8.290 -0.024 0.000 0.644 24 A N 3.623 126.451 122.820 0.014 0.000 2.548 24 A HA -0.200 4.294 4.320 0.026 -0.158 0.247 24 A C -0.068 177.520 177.584 0.008 0.000 1.067 24 A CA 1.147 53.196 52.037 0.019 0.000 0.757 24 A CB 0.034 19.052 19.000 0.029 0.000 0.996 24 A HN 0.274 8.436 8.150 0.021 0.000 0.504 25 N N -2.578 116.123 118.700 0.002 0.000 2.714 25 N HA -0.366 4.362 4.740 -0.019 0.000 0.250 25 N C 0.479 175.969 175.510 -0.033 0.000 1.117 25 N CA 1.592 54.635 53.050 -0.012 0.000 0.719 25 N CB -0.620 37.872 38.487 0.008 0.000 1.081 25 N HN 0.407 8.795 8.380 0.012 0.000 0.557 26 T N -3.389 111.137 114.554 -0.047 0.000 3.100 26 T HA 0.009 4.351 4.350 -0.015 0.000 0.253 26 T C -0.052 174.593 174.700 -0.092 0.000 1.118 26 T CA 2.091 64.168 62.100 -0.038 0.000 1.058 26 T CB 0.483 69.343 68.868 -0.013 0.000 0.953 26 T HN -0.538 7.636 8.240 -0.050 0.035 0.515 27 V N 2.310 122.107 119.914 -0.196 0.000 2.320 27 V HA 0.372 4.234 4.120 -0.430 0.000 0.257 27 V C -1.560 174.222 176.094 -0.521 0.000 0.996 27 V CA -3.365 58.661 62.300 -0.457 0.000 0.928 27 V CB 0.714 32.244 31.823 -0.489 0.000 1.169 27 V HN -0.534 7.494 8.190 -0.168 0.061 0.475 28 P HA 0.061 4.522 4.420 -0.084 -0.092 0.230 28 P C 0.013 177.272 177.300 -0.068 0.000 1.158 28 P CA 1.565 64.597 63.100 -0.112 0.000 0.769 28 P CB 0.105 31.811 31.700 0.010 0.000 0.807 29 Y N -6.035 114.289 120.300 0.040 0.000 2.457 29 Y HA 0.498 5.216 4.550 0.055 -0.134 0.263 29 Y C -0.611 175.324 175.900 0.059 0.000 1.164 29 Y CA -3.305 54.824 58.100 0.049 0.000 1.274 29 Y CB -1.246 37.239 38.460 0.042 0.000 1.097 29 Y HN -0.418 7.287 8.280 -0.858 0.060 0.523 30 Q N 2.861 122.532 119.800 -0.216 0.000 2.304 30 Q HA 0.185 4.697 4.340 0.071 -0.130 0.260 30 Q C -0.312 175.765 176.000 0.128 0.000 0.965 30 Q CA 0.139 55.915 55.803 -0.044 0.000 0.898 30 Q CB 1.030 29.636 28.738 -0.221 0.000 1.196 30 Q HN -0.636 7.285 8.270 -0.482 0.060 0.402 31 V N 1.552 121.580 119.914 0.191 0.000 3.046 31 V HA 0.816 5.163 4.120 0.193 -0.110 0.316 31 V C -2.034 174.208 176.094 0.247 0.000 1.104 31 V CA -2.915 59.496 62.300 0.185 0.000 1.006 31 V CB 3.899 35.779 31.823 0.095 0.000 1.058 31 V HN 0.432 8.730 8.190 0.180 0.000 0.440 32 S N 0.441 116.194 115.700 0.088 0.000 2.473 32 S HA 0.467 5.157 4.470 0.177 -0.113 0.307 32 S C -1.024 173.440 174.600 -0.226 0.000 1.094 32 S CA -1.978 56.205 58.200 -0.028 0.000 1.070 32 S CB 1.745 64.725 63.200 -0.366 0.000 1.019 32 S HN 0.095 8.417 8.310 0.021 0.000 0.480 33 L N 7.107 128.055 121.223 -0.459 0.000 2.275 33 L HA 0.525 4.751 4.340 -0.395 -0.123 0.288 33 L C -1.530 174.832 176.870 -0.847 0.000 1.046 33 L CA -0.803 53.636 54.840 -0.669 0.000 0.805 33 L CB 0.850 42.319 42.059 -0.984 0.000 1.193 33 L HN 0.745 8.663 8.230 -0.519 0.000 0.426 38 G N -0.036 108.663 108.800 -0.168 0.000 2.176 38 G HA2 -0.287 3.659 3.960 -0.025 0.000 0.232 38 G HA3 -0.287 3.729 3.960 0.092 0.000 0.232 38 G C -1.573 173.408 174.900 0.135 0.000 0.986 38 G CA 0.363 45.468 45.100 0.008 0.000 0.643 38 G HN 0.287 8.827 8.290 -0.200 -0.370 0.522 39 Y N -7.453 112.818 120.300 -0.048 0.000 2.687 39 Y HA 0.193 4.699 4.550 -0.074 0.000 0.338 39 Y C -2.500 173.387 175.900 -0.021 0.000 1.189 39 Y CA -3.573 54.498 58.100 -0.048 0.000 1.097 39 Y CB 0.798 39.230 38.460 -0.047 0.000 1.342 39 Y HN -1.251 6.805 8.280 -0.398 -0.014 0.461 40 H N 2.807 121.814 119.070 -0.106 0.000 2.767 40 H HA 0.037 4.529 4.556 -0.370 -0.158 0.316 40 H C -0.386 174.908 175.328 -0.056 0.000 1.059 40 H CA -0.411 55.499 56.048 -0.230 0.000 1.461 40 H CB 0.312 29.918 29.762 -0.260 0.000 1.475 40 H HN 0.311 8.673 8.280 0.136 0.000 0.531 41 F N 2.395 121.906 119.950 -0.732 0.000 2.834 41 F HA 0.322 4.754 4.527 -0.158 0.000 0.332 41 F C -1.465 174.074 175.800 -0.436 0.000 1.056 41 F CA -0.735 57.026 58.000 -0.397 0.000 1.178 41 F CB 1.472 40.318 39.000 -0.257 0.000 1.037 41 F HN 0.101 7.669 8.300 -1.220 0.000 0.580 42 c N -1.664 116.247 118.600 -1.148 0.000 3.312 42 c HA 0.308 4.752 4.570 -0.211 0.000 0.332 42 c C -1.697 172.179 174.090 -0.358 0.000 1.340 42 c CA -0.135 55.873 56.329 -0.535 0.000 1.265 42 c CB 3.964 46.242 42.510 -0.387 0.000 1.563 42 c HN -0.815 6.413 8.230 -1.671 0.000 0.471 43 G N -0.929 107.861 108.800 -0.017 0.000 2.613 43 G HA2 0.814 5.065 3.960 0.241 0.000 0.303 43 G HA3 0.814 4.903 3.960 0.216 0.000 0.303 43 G C -2.510 172.414 174.900 0.039 0.000 1.312 43 G CA -1.621 43.565 45.100 0.143 0.000 1.036 43 G HN 0.814 9.104 8.290 -0.001 0.000 0.513 44 G N -4.043 104.814 108.800 0.094 0.000 2.506 44 G HA2 0.500 4.804 3.960 0.072 0.000 0.292 44 G HA3 0.500 4.491 3.960 0.051 0.000 0.292 44 G C -2.922 172.061 174.900 0.138 0.000 1.425 44 G CA 0.369 45.518 45.100 0.082 0.000 0.788 44 G HN -0.615 7.764 8.290 0.149 0.000 0.490 45 S N -0.459 115.329 115.700 0.147 0.000 2.532 45 S HA 0.835 5.676 4.470 0.269 -0.210 0.299 45 S C -1.291 173.412 174.600 0.171 0.000 1.105 45 S CA -0.915 57.405 58.200 0.201 0.000 1.018 45 S CB 3.783 67.088 63.200 0.175 0.000 1.021 45 S HN 0.345 8.729 8.310 0.122 0.000 0.483 46 L N 6.258 127.597 121.223 0.194 0.000 2.313 46 L HA 0.180 4.727 4.340 0.147 -0.118 0.282 46 L C -0.679 176.276 176.870 0.141 0.000 1.092 46 L CA -0.152 54.784 54.840 0.160 0.000 0.831 46 L CB 0.968 43.121 42.059 0.157 0.000 1.159 46 L HN 0.366 8.749 8.230 0.255 0.000 0.442 47 I N 0.422 121.072 120.570 0.134 0.000 4.070 47 I HA 0.489 4.852 4.170 0.065 -0.155 0.328 47 I C -0.870 175.306 176.117 0.098 0.000 1.298 47 I CA -0.508 60.848 61.300 0.093 0.000 1.173 47 I CB 0.837 38.882 38.000 0.075 0.000 1.051 47 I HN 0.265 8.573 8.210 0.163 0.000 0.409 48 N N -2.416 116.366 118.700 0.136 0.000 3.179 48 N HA 0.183 4.979 4.740 0.094 0.000 0.250 48 N C -0.582 175.007 175.510 0.132 0.000 1.507 48 N CA -0.702 52.424 53.050 0.126 0.000 0.883 48 N CB 0.788 39.358 38.487 0.139 0.000 1.435 48 N HN -0.924 7.554 8.380 0.164 0.000 0.532 49 S N -3.601 112.163 115.700 0.108 0.000 2.507 49 S HA -0.303 4.210 4.470 0.071 0.000 0.235 49 S C 0.816 175.450 174.600 0.058 0.000 0.988 49 S CA 2.698 60.944 58.200 0.077 0.000 0.944 49 S CB -0.133 63.100 63.200 0.056 0.000 0.762 49 S HN 0.362 8.732 8.310 0.100 0.000 0.526 50 Q N -0.201 119.651 119.800 0.087 0.000 2.164 50 Q HA 0.332 4.615 4.340 -0.095 0.000 0.226 50 Q C -2.028 173.848 176.000 -0.208 0.000 0.813 50 Q CA -0.260 55.503 55.803 -0.067 0.000 0.978 50 Q CB 2.653 31.342 28.738 -0.081 0.000 1.149 50 Q HN 0.092 8.756 8.270 0.181 -0.286 0.489 51 W N -2.358 118.949 121.300 0.011 0.000 2.936 51 W HA 0.712 5.570 4.660 0.008 -0.193 0.338 51 W C -1.502 175.031 176.519 0.023 0.000 1.121 51 W CA -1.107 56.244 57.345 0.010 0.000 1.209 51 W CB 3.884 33.340 29.460 -0.005 0.000 1.420 51 W HN -0.337 8.140 8.180 0.273 -0.134 0.516 52 V N 0.833 120.908 119.914 0.268 0.000 2.823 52 V HA 0.781 5.185 4.120 0.171 -0.182 0.312 52 V C -1.455 174.755 176.094 0.192 0.000 1.072 52 V CA -1.725 60.683 62.300 0.180 0.000 0.937 52 V CB 3.776 35.661 31.823 0.102 0.000 1.013 52 V HN 0.811 9.173 8.190 0.286 0.000 0.430 53 V N 5.898 125.903 119.914 0.151 0.000 2.513 53 V HA 0.733 5.111 4.120 0.158 -0.163 0.299 53 V C -1.265 174.887 176.094 0.097 0.000 1.035 53 V CA -1.199 61.182 62.300 0.135 0.000 0.889 53 V CB 2.060 33.956 31.823 0.121 0.000 0.988 53 V HN 0.593 8.867 8.190 0.139 0.000 0.440 54 S N 4.324 120.069 115.700 0.075 0.000 2.880 54 S HA 0.561 5.260 4.470 0.033 -0.209 0.308 54 S C -2.019 172.573 174.600 -0.013 0.000 1.195 54 S CA -2.564 55.651 58.200 0.025 0.000 0.866 54 S CB 2.530 65.731 63.200 0.003 0.000 1.254 54 S HN 0.670 9.034 8.310 0.091 0.000 0.571 55 A N -0.519 122.252 122.820 -0.082 0.000 2.306 55 A HA 0.427 4.839 4.320 -0.100 -0.153 0.314 55 A C 0.676 178.139 177.584 -0.202 0.000 1.164 55 A CA -1.579 50.369 52.037 -0.148 0.000 0.822 55 A CB 1.524 20.372 19.000 -0.253 0.000 1.130 55 A HN 0.265 8.355 8.150 -0.099 0.000 0.496 56 A N 5.140 127.790 122.820 -0.283 0.000 1.940 56 A HA -0.272 3.897 4.320 -0.253 0.000 0.219 56 A C 1.377 178.727 177.584 -0.390 0.000 1.176 56 A CA 2.966 54.717 52.037 -0.476 0.000 0.631 56 A CB -0.426 17.897 19.000 -1.128 0.000 0.814 56 A HN 0.623 8.624 8.150 -0.262 -0.008 0.446 57 H N -4.873 114.034 119.070 -0.271 0.000 2.563 57 H HA -0.080 4.502 4.556 0.043 0.000 0.272 57 H C 0.191 175.565 175.328 0.077 0.000 1.005 57 H CA 1.365 57.414 56.048 0.001 0.000 1.171 57 H CB -1.199 28.640 29.762 0.128 0.000 1.351 57 H HN 0.066 8.557 8.280 -0.172 -0.315 0.602 58 c N -1.768 116.750 118.600 -0.136 0.000 2.791 58 c HA 0.029 4.661 4.570 0.104 0.000 0.270 58 c C 0.302 174.464 174.090 0.119 0.000 1.257 58 c CA -0.001 56.342 56.329 0.023 0.000 1.699 58 c CB -1.478 41.014 42.510 -0.031 0.000 1.904 58 c HN -0.202 7.713 8.230 -0.207 0.191 0.603 59 Y N 3.138 123.436 120.300 -0.005 0.000 2.717 59 Y HA -0.264 4.301 4.550 0.024 0.000 0.330 59 Y C -1.157 174.722 175.900 -0.035 0.000 1.217 59 Y CA 2.074 60.173 58.100 -0.002 0.000 1.506 59 Y CB 0.624 39.071 38.460 -0.022 0.000 1.268 59 Y HN -0.482 7.710 8.280 0.152 0.179 0.561 60 K N 6.444 126.122 120.400 -1.203 0.000 2.658 60 K HA 0.215 4.136 4.320 -0.664 0.000 0.293 60 K C -2.289 173.814 176.600 -0.828 0.000 1.026 60 K CA -1.019 54.765 56.287 -0.838 0.000 0.871 60 K CB 2.592 34.742 32.500 -0.583 0.000 1.524 60 K HN -0.169 7.302 8.250 -1.298 0.000 0.400 61 S N -0.594 114.836 115.700 -0.449 0.000 2.713 61 S HA 0.143 4.444 4.470 -0.282 0.000 0.283 61 S C 0.714 175.186 174.600 -0.213 0.000 1.161 61 S CA -0.454 57.587 58.200 -0.265 0.000 0.999 61 S CB 1.427 64.562 63.200 -0.108 0.000 1.039 61 S HN -0.179 7.935 8.310 -0.327 0.000 0.548 62 G N -0.316 108.400 108.800 -0.140 0.000 2.212 62 G HA2 -0.238 3.670 3.960 -0.087 0.000 0.255 62 G HA3 -0.238 3.648 3.960 -0.123 0.000 0.255 62 G C -1.516 173.314 174.900 -0.117 0.000 1.062 62 G CA 0.153 45.183 45.100 -0.116 0.000 0.815 62 G HN 0.300 8.523 8.290 -0.111 0.000 0.497 63 I N -1.119 119.393 120.570 -0.097 0.000 2.365 63 I HA 0.086 4.374 4.170 -0.000 -0.118 0.291 63 I C -1.602 174.474 176.117 -0.068 0.000 1.004 63 I CA -0.700 60.574 61.300 -0.043 0.000 1.311 63 I CB 0.738 38.735 38.000 -0.005 0.000 1.401 63 I HN -0.487 7.662 8.210 -0.102 0.000 0.491 64 Q N 7.227 126.970 119.800 -0.094 0.000 3.184 64 Q HA 0.522 4.900 4.340 -0.090 -0.092 0.236 64 Q C -1.656 174.250 176.000 -0.157 0.000 1.038 64 Q CA -1.928 53.800 55.803 -0.124 0.000 0.857 64 Q CB 4.264 32.895 28.738 -0.178 0.000 1.957 64 Q HN 0.482 8.699 8.270 -0.088 0.000 0.453 65 R N -2.566 117.867 120.500 -0.111 0.000 2.937 65 R HA 0.425 5.012 4.340 0.128 -0.170 0.273 65 R C -1.363 174.972 176.300 0.059 0.000 1.176 65 R CA 0.010 56.090 56.100 -0.032 0.000 1.132 65 R CB 2.541 32.681 30.300 -0.267 0.000 1.270 65 R HN 0.541 8.726 8.270 -0.142 0.000 0.425 70 E N -0.346 119.954 120.200 0.166 0.000 2.319 70 E HA 0.092 4.523 4.350 0.135 0.000 0.268 70 E C -1.834 174.947 176.600 0.301 0.000 1.050 70 E CA 0.348 56.862 56.400 0.191 0.000 0.878 70 E CB 1.448 31.202 29.700 0.090 0.000 1.066 70 E HN -0.613 7.826 8.360 0.189 0.034 0.406 71 D N 0.794 121.349 120.400 0.259 0.000 2.912 71 D HA 0.055 4.897 4.640 0.336 0.000 0.170 71 D C -1.053 175.438 176.300 0.319 0.000 1.484 71 D CA 1.005 55.168 54.000 0.273 0.000 1.542 71 D CB 2.460 43.339 40.800 0.132 0.000 1.344 71 D HN 0.084 8.558 8.370 0.173 0.000 0.222 72 N N 1.191 119.990 118.700 0.164 0.000 2.401 72 N HA 0.168 5.138 4.740 0.158 -0.135 0.255 72 N C 2.118 177.633 175.510 0.008 0.000 1.110 72 N CA -0.486 52.629 53.050 0.108 0.000 0.949 72 N CB 0.392 38.921 38.487 0.070 0.000 1.110 72 N HN -0.384 8.386 8.380 0.122 -0.317 0.490 73 I N 0.718 121.207 120.570 -0.136 0.000 3.444 73 I HA -0.086 4.091 4.170 -0.245 -0.155 0.287 73 I C -0.652 175.378 176.117 -0.144 0.000 1.302 73 I CA 1.240 62.363 61.300 -0.294 0.000 1.368 73 I CB -0.882 36.684 38.000 -0.723 0.000 1.048 73 I HN 0.307 8.445 8.210 -0.119 0.000 0.487 74 N N -2.161 116.501 118.700 -0.063 0.000 2.205 74 N HA 0.149 4.871 4.740 -0.031 0.000 0.201 74 N C -0.983 174.532 175.510 0.009 0.000 1.128 74 N CA 0.000 53.037 53.050 -0.022 0.000 0.867 74 N CB 2.206 40.689 38.487 -0.006 0.000 0.996 74 N HN -0.060 8.575 8.380 -0.041 -0.279 0.503 75 V N 0.423 120.348 119.914 0.018 0.000 2.638 75 V HA 0.053 4.189 4.120 0.027 0.000 0.306 75 V C -1.440 174.675 176.094 0.036 0.000 1.052 75 V CA -1.033 61.284 62.300 0.028 0.000 0.885 75 V CB 3.279 35.117 31.823 0.026 0.000 0.999 75 V HN -0.785 7.434 8.190 0.011 -0.022 0.424 76 V N 7.744 127.676 119.914 0.030 0.000 2.387 76 V HA -0.180 4.168 4.120 0.022 -0.215 0.260 76 V C 0.180 176.271 176.094 -0.005 0.000 1.054 76 V CA 0.711 63.014 62.300 0.006 0.000 0.967 76 V CB -0.342 31.463 31.823 -0.029 0.000 1.036 76 V HN 0.350 8.556 8.190 0.026 0.000 0.481 77 E N 8.011 128.211 120.200 0.000 0.000 2.476 77 E HA 0.125 4.476 4.350 0.001 0.000 0.199 77 E C -0.138 176.456 176.600 -0.009 0.000 1.021 77 E CA -0.384 56.017 56.400 0.002 0.000 0.907 77 E CB 0.618 30.330 29.700 0.020 0.000 0.974 77 E HN 0.397 9.195 8.360 0.008 -0.433 0.489 78 G N 0.119 108.903 108.800 -0.026 0.000 2.576 78 G HA2 -0.220 3.707 3.960 -0.056 0.000 0.686 78 G HA3 -0.220 3.726 3.960 -0.024 0.000 0.686 78 G C -1.744 173.141 174.900 -0.025 0.000 1.242 78 G CA -0.716 44.363 45.100 -0.035 0.000 0.819 78 G HN -0.440 8.101 8.290 -0.035 -0.272 0.655 79 N N -3.628 115.052 118.700 -0.034 0.000 2.962 79 N HA -0.279 4.449 4.740 -0.019 0.000 0.206 79 N C -0.879 174.619 175.510 -0.020 0.000 0.907 79 N CA 1.345 54.385 53.050 -0.017 0.000 1.029 79 N CB -0.295 38.197 38.487 0.007 0.000 1.009 79 N HN 0.164 8.515 8.380 -0.048 0.000 0.587 80 E N -0.895 119.273 120.200 -0.053 0.000 2.383 80 E HA 0.104 4.709 4.350 0.040 -0.230 0.264 80 E C -0.166 176.359 176.600 -0.123 0.000 1.050 80 E CA 0.791 57.159 56.400 -0.054 0.000 0.896 80 E CB 0.434 30.050 29.700 -0.139 0.000 0.982 80 E HN -0.191 8.031 8.360 -0.071 0.096 0.424 81 Q N 1.636 121.433 119.800 -0.006 0.000 2.274 81 Q HA 0.266 4.547 4.340 -0.099 0.000 0.268 81 Q C -1.472 174.663 176.000 0.226 0.000 1.015 81 Q CA -1.176 54.630 55.803 0.005 0.000 0.775 81 Q CB 2.894 31.651 28.738 0.031 0.000 1.256 81 Q HN 0.217 8.555 8.270 0.113 0.000 0.442 82 F N 3.682 123.611 119.950 -0.034 0.000 2.388 82 F HA 0.407 5.075 4.527 -0.050 -0.171 0.358 82 F C -0.163 175.611 175.800 -0.042 0.000 1.122 82 F CA -2.967 55.007 58.000 -0.044 0.000 1.056 82 F CB 0.899 39.871 39.000 -0.047 0.000 1.155 82 F HN 0.380 8.704 8.300 0.041 0.000 0.461 83 I N 4.124 124.765 120.570 0.119 0.000 2.533 83 I HA 0.243 4.440 4.170 0.044 0.000 0.290 83 I C -1.255 174.858 176.117 -0.006 0.000 1.056 83 I CA -1.390 59.934 61.300 0.039 0.000 1.057 83 I CB 4.005 42.014 38.000 0.015 0.000 1.240 83 I HN 0.812 9.077 8.210 0.091 0.000 0.423 84 S N 5.758 121.447 115.700 -0.019 0.000 2.585 84 S HA 0.045 4.485 4.470 -0.050 0.000 0.273 84 S C -0.430 174.133 174.600 -0.061 0.000 1.339 84 S CA 0.868 59.043 58.200 -0.042 0.000 1.028 84 S CB 0.924 64.101 63.200 -0.038 0.000 0.906 84 S HN 0.451 8.755 8.310 -0.009 0.000 0.528 85 A N 2.905 125.685 122.820 -0.067 0.000 2.363 85 A HA 0.139 4.496 4.320 -0.103 -0.099 0.270 85 A C -0.514 177.020 177.584 -0.083 0.000 1.121 85 A CA -0.256 51.732 52.037 -0.082 0.000 0.800 85 A CB 0.606 19.569 19.000 -0.061 0.000 1.052 85 A HN -0.132 7.980 8.150 -0.063 0.000 0.493 86 S N 3.439 119.070 115.700 -0.115 0.000 2.441 86 S HA 0.041 4.469 4.470 -0.070 0.000 0.224 86 S C 0.456 175.014 174.600 -0.070 0.000 1.043 86 S CA 1.236 59.378 58.200 -0.097 0.000 0.948 86 S CB 0.964 64.085 63.200 -0.132 0.000 0.810 86 S HN 0.850 8.948 8.310 -0.164 0.114 0.504 87 K N -0.771 119.581 120.400 -0.081 0.000 2.568 87 K HA 0.310 4.647 4.320 0.029 0.000 0.273 87 K C -2.582 174.040 176.600 0.036 0.000 0.951 87 K CA -0.662 55.623 56.287 -0.004 0.000 0.854 87 K CB 2.707 35.213 32.500 0.010 0.000 1.424 87 K HN -0.762 7.403 8.250 -0.140 0.000 0.427 88 S N 1.179 116.959 115.700 0.132 0.000 2.500 88 S HA 0.751 5.490 4.470 0.167 -0.169 0.301 88 S C -0.805 173.921 174.600 0.211 0.000 1.092 88 S CA -0.478 57.843 58.200 0.202 0.000 1.030 88 S CB 2.651 66.036 63.200 0.308 0.000 1.031 88 S HN 0.188 8.593 8.310 0.158 0.000 0.483 89 I N 7.381 128.085 120.570 0.222 0.000 2.437 89 I HA 0.121 4.380 4.170 0.149 0.000 0.279 89 I C -1.566 174.692 176.117 0.235 0.000 1.028 89 I CA -0.837 60.588 61.300 0.207 0.000 1.142 89 I CB 1.499 39.635 38.000 0.226 0.000 1.266 89 I HN 1.047 9.299 8.210 0.249 0.108 0.461 90 V N 7.954 127.941 119.914 0.122 0.000 2.686 90 V HA -0.181 3.982 4.120 0.071 0.000 0.295 90 V C -0.255 175.920 176.094 0.135 0.000 1.055 90 V CA -0.351 61.987 62.300 0.063 0.000 1.050 90 V CB 0.823 32.586 31.823 -0.101 0.000 0.984 90 V HN 0.374 8.592 8.190 0.045 0.000 0.482 91 H N 8.975 128.025 119.070 -0.033 0.000 3.034 91 H HA -0.034 4.368 4.556 -0.256 0.000 0.324 91 H C -0.425 174.875 175.328 -0.047 0.000 1.015 91 H CA 0.363 56.270 56.048 -0.235 0.000 1.429 91 H CB 1.510 30.956 29.762 -0.526 0.000 1.429 91 H HN -0.196 8.121 8.280 0.061 0.000 0.585 92 P HA -0.110 4.328 4.420 0.029 0.000 0.219 92 P C -0.393 176.967 177.300 0.100 0.000 1.146 92 P CA 1.464 64.551 63.100 -0.021 0.000 0.808 92 P CB 0.295 31.957 31.700 -0.062 0.000 0.779 93 S N -3.774 112.100 115.700 0.291 0.000 2.582 93 S HA 0.051 4.586 4.470 0.108 0.000 0.234 93 S C -0.563 174.137 174.600 0.166 0.000 0.961 93 S CA 0.001 58.328 58.200 0.212 0.000 0.953 93 S CB 0.517 63.836 63.200 0.200 0.000 0.800 93 S HN -0.354 8.276 8.310 0.597 0.038 0.471 94 Y N 3.813 124.157 120.300 0.074 0.000 2.620 94 Y HA -0.329 4.371 4.550 -0.055 -0.182 0.330 94 Y C -0.947 174.944 175.900 -0.015 0.000 1.186 94 Y CA 0.826 58.922 58.100 -0.006 0.000 1.467 94 Y CB 0.729 39.193 38.460 0.006 0.000 1.262 94 Y HN -0.700 7.619 8.280 0.351 0.171 0.550 95 N N 7.454 125.790 118.700 -0.606 0.000 2.476 95 N HA 0.210 4.673 4.740 -0.461 0.000 0.257 95 N C -0.193 174.782 175.510 -0.890 0.000 0.970 95 N CA -1.267 51.441 53.050 -0.571 0.000 0.938 95 N CB 1.667 39.983 38.487 -0.286 0.000 1.144 95 N HN -0.184 7.962 8.380 -0.390 0.000 0.500 96 S N 6.565 121.741 115.700 -0.874 0.000 2.515 96 S HA -0.065 3.997 4.470 -0.681 0.000 0.231 96 S C 0.687 175.102 174.600 -0.309 0.000 0.987 96 S CA 2.247 60.100 58.200 -0.578 0.000 0.936 96 S CB -0.173 62.876 63.200 -0.251 0.000 0.766 96 S HN 0.635 8.539 8.310 -0.677 0.000 0.528 97 N N 2.111 120.638 118.700 -0.289 0.000 2.336 97 N HA 0.058 4.676 4.740 -0.203 0.000 0.177 97 N C 1.095 176.445 175.510 -0.268 0.000 1.018 97 N CA 2.267 55.181 53.050 -0.226 0.000 0.878 97 N CB 0.644 39.026 38.487 -0.175 0.000 0.997 97 N HN 0.314 8.758 8.380 -0.318 -0.254 0.433 98 T N -3.921 110.470 114.554 -0.272 0.000 3.022 98 T HA 0.073 4.223 4.350 -0.334 0.000 0.250 98 T C 0.202 174.713 174.700 -0.314 0.000 1.060 98 T CA 0.390 62.320 62.100 -0.284 0.000 1.013 98 T CB 1.662 70.418 68.868 -0.187 0.000 0.982 98 T HN -0.391 7.971 8.240 -0.269 -0.283 0.508 99 L N -3.666 117.405 121.223 -0.255 0.000 4.291 99 L HA -0.510 3.935 4.340 0.045 -0.078 0.413 99 L C -1.855 175.042 176.870 0.044 0.000 1.162 99 L CA 0.450 55.247 54.840 -0.072 0.000 0.961 99 L CB -2.574 39.384 42.059 -0.168 0.000 2.095 99 L HN -0.109 7.942 8.230 -0.298 0.000 0.838 100 N N -1.024 117.659 118.700 -0.028 0.000 2.518 100 N HA -0.182 4.605 4.740 0.078 0.000 0.266 100 N C 0.089 175.640 175.510 0.069 0.000 1.196 100 N CA 0.772 53.840 53.050 0.030 0.000 0.947 100 N CB 1.113 39.590 38.487 -0.016 0.000 1.098 100 N HN -0.687 7.570 8.380 -0.121 0.050 0.450 101 N N -0.835 117.901 118.700 0.060 0.000 2.756 101 N HA -0.471 4.190 4.740 -0.132 0.000 0.248 101 N C -1.493 173.991 175.510 -0.045 0.000 1.062 101 N CA 1.387 54.372 53.050 -0.108 0.000 0.696 101 N CB -1.514 36.789 38.487 -0.305 0.000 0.946 101 N HN 0.617 9.059 8.380 0.104 0.000 0.548 102 D N -1.111 119.308 120.400 0.032 0.000 2.551 102 D HA 0.068 4.698 4.640 -0.016 0.000 0.223 102 D C -1.692 174.520 176.300 -0.146 0.000 1.144 102 D CA -0.409 53.608 54.000 0.027 0.000 1.025 102 D CB -0.642 40.278 40.800 0.200 0.000 1.085 102 D HN -0.135 8.270 8.370 0.059 0.000 0.506 103 I N 2.449 122.869 120.570 -0.251 0.000 2.827 103 I HA 0.564 4.826 4.170 -0.126 -0.167 0.298 103 I C -3.094 172.981 176.117 -0.071 0.000 1.235 103 I CA -1.412 59.767 61.300 -0.200 0.000 1.021 103 I CB 4.163 41.908 38.000 -0.424 0.000 1.259 103 I HN -0.140 7.871 8.210 -0.268 0.038 0.427 104 M N 6.348 125.979 119.600 0.051 0.000 2.470 104 M HA 0.690 5.479 4.480 0.240 -0.165 0.285 104 M C -2.814 173.616 176.300 0.217 0.000 1.213 104 M CA -0.992 54.402 55.300 0.156 0.000 0.901 104 M CB 4.823 37.470 32.600 0.078 0.000 1.718 104 M HN 0.418 8.733 8.290 0.042 0.000 0.469 105 L N 3.020 124.409 121.223 0.277 0.000 2.334 105 L HA 0.823 5.480 4.340 0.263 -0.159 0.276 105 L C -1.289 175.772 176.870 0.319 0.000 1.014 105 L CA -1.434 53.585 54.840 0.298 0.000 0.815 105 L CB 3.146 45.358 42.059 0.256 0.000 1.268 105 L HN 0.559 8.872 8.230 0.313 0.104 0.428 106 I N 0.810 121.551 120.570 0.284 0.000 2.465 106 I HA 0.563 4.959 4.170 0.095 -0.169 0.291 106 I C -1.618 174.440 176.117 -0.098 0.000 1.014 106 I CA -1.382 59.980 61.300 0.102 0.000 1.093 106 I CB 3.119 41.148 38.000 0.050 0.000 1.267 106 I HN 0.945 9.346 8.210 0.319 0.000 0.431 107 K N 6.680 126.827 120.400 -0.421 0.000 2.185 107 K HA 0.623 4.269 4.320 -1.383 -0.156 0.269 107 K C -1.137 175.168 176.600 -0.492 0.000 0.987 107 K CA -1.840 53.855 56.287 -0.986 0.000 0.865 107 K CB 2.942 34.716 32.500 -1.210 0.000 1.090 107 K HN 0.700 8.794 8.250 -0.260 0.000 0.450 108 L N 4.998 125.963 121.223 -0.429 0.000 2.375 108 L HA 0.211 4.563 4.340 -0.173 -0.116 0.271 108 L C 1.786 178.536 176.870 -0.201 0.000 1.107 108 L CA -0.044 54.660 54.840 -0.226 0.000 0.806 108 L CB 0.391 42.359 42.059 -0.153 0.000 1.146 108 L HN 0.738 8.635 8.230 -0.554 0.000 0.447 109 K N 3.552 123.874 120.400 -0.130 0.000 2.097 109 K HA -0.328 3.927 4.320 -0.109 0.000 0.206 109 K C -0.603 175.948 176.600 -0.082 0.000 1.049 109 K CA 2.578 58.807 56.287 -0.097 0.000 0.933 109 K CB 0.368 32.830 32.500 -0.064 0.000 0.717 109 K HN 0.520 8.705 8.250 -0.108 0.000 0.442 110 S N -3.176 112.483 115.700 -0.069 0.000 2.599 110 S HA 0.090 4.530 4.470 -0.050 0.000 0.287 110 S C -1.902 172.668 174.600 -0.049 0.000 1.105 110 S CA -0.942 57.229 58.200 -0.049 0.000 0.899 110 S CB 2.831 66.013 63.200 -0.029 0.000 1.100 110 S HN -0.432 7.838 8.310 -0.066 0.000 0.482 111 A N 0.217 123.018 122.820 -0.033 0.000 2.407 111 A HA -0.000 4.433 4.320 -0.032 -0.133 0.248 111 A C -0.539 177.042 177.584 -0.005 0.000 1.082 111 A CA 0.078 52.103 52.037 -0.019 0.000 0.785 111 A CB 0.715 19.715 19.000 -0.001 0.000 1.020 111 A HN 0.118 8.252 8.150 -0.027 0.000 0.489 112 A N 0.968 123.793 122.820 0.007 0.000 2.304 112 A HA 0.193 4.590 4.320 0.012 -0.070 0.271 112 A C -0.479 177.117 177.584 0.020 0.000 1.091 112 A CA -1.265 50.782 52.037 0.017 0.000 0.812 112 A CB 1.376 20.394 19.000 0.031 0.000 1.056 112 A HN 0.404 8.453 8.150 0.010 0.107 0.489 113 S N 0.079 115.789 115.700 0.017 0.000 2.430 113 S HA 0.082 4.562 4.470 0.016 0.000 0.289 113 S C -0.534 174.080 174.600 0.024 0.000 1.143 113 S CA -0.563 57.646 58.200 0.016 0.000 1.067 113 S CB 0.366 63.570 63.200 0.007 0.000 0.964 113 S HN 0.012 8.678 8.310 0.015 -0.348 0.485 114 L N 5.947 127.188 121.223 0.029 0.000 2.375 114 L HA 0.228 4.718 4.340 0.041 -0.125 0.271 114 L C -0.411 176.477 176.870 0.030 0.000 1.107 114 L CA -0.253 54.609 54.840 0.037 0.000 0.806 114 L CB 0.738 42.823 42.059 0.044 0.000 1.146 114 L HN 0.205 8.452 8.230 0.027 0.000 0.447 115 N N 2.551 121.270 118.700 0.032 0.000 3.526 115 N HA 0.143 4.898 4.740 0.024 0.000 0.328 115 N C -1.397 174.132 175.510 0.031 0.000 1.601 115 N CA -0.610 52.456 53.050 0.026 0.000 0.834 115 N CB 1.118 39.616 38.487 0.019 0.000 1.983 115 N HN 0.564 8.857 8.380 0.039 0.111 0.579 116 S N -2.630 113.086 115.700 0.026 0.000 2.461 116 S HA -0.145 4.346 4.470 0.035 0.000 0.228 116 S C 0.520 175.137 174.600 0.029 0.000 1.005 116 S CA 2.319 60.536 58.200 0.029 0.000 0.942 116 S CB 0.201 63.414 63.200 0.023 0.000 0.776 116 S HN 0.025 8.348 8.310 0.021 0.000 0.514 117 R N -0.919 119.596 120.500 0.025 0.000 2.254 117 R HA 0.102 4.452 4.340 0.016 0.000 0.195 117 R C -1.194 175.123 176.300 0.028 0.000 0.957 117 R CA 0.735 56.848 56.100 0.021 0.000 1.024 117 R CB 1.046 31.357 30.300 0.018 0.000 0.952 117 R HN -0.163 8.342 8.270 0.023 -0.221 0.484 118 V N -1.569 118.367 119.914 0.037 0.000 2.447 118 V HA 0.251 4.585 4.120 0.051 -0.183 0.292 118 V C -2.201 173.932 176.094 0.064 0.000 1.021 118 V CA -1.081 61.249 62.300 0.050 0.000 0.850 118 V CB 2.656 34.507 31.823 0.047 0.000 1.005 118 V HN -0.328 8.097 8.190 0.036 -0.214 0.426 119 A N 6.782 129.657 122.820 0.091 0.000 2.587 119 A HA 0.586 4.957 4.320 0.086 0.000 0.293 119 A C -3.027 174.649 177.584 0.153 0.000 1.087 119 A CA -1.326 50.776 52.037 0.108 0.000 0.692 119 A CB 2.943 22.008 19.000 0.108 0.000 1.291 119 A HN 0.131 8.224 8.150 0.099 0.116 0.407 120 S N -1.455 114.319 115.700 0.123 0.000 2.672 120 S HA 0.553 5.256 4.470 0.162 -0.135 0.276 120 S C -0.670 173.982 174.600 0.086 0.000 1.207 120 S CA -1.298 56.976 58.200 0.123 0.000 1.002 120 S CB 1.550 64.803 63.200 0.088 0.000 0.998 120 S HN -0.028 8.339 8.310 0.096 0.000 0.542 121 I N 0.836 121.411 120.570 0.009 0.000 2.562 121 I HA 0.219 4.310 4.170 -0.131 0.000 0.301 121 I C -1.212 174.851 176.117 -0.090 0.000 1.003 121 I CA -1.536 59.669 61.300 -0.158 0.000 1.127 121 I CB 3.787 41.464 38.000 -0.539 0.000 1.304 121 I HN 0.215 8.447 8.210 0.037 0.000 0.446 122 S N 6.574 122.222 115.700 -0.087 0.000 2.580 122 S HA 0.188 4.641 4.470 -0.028 0.000 0.274 122 S C -0.624 173.948 174.600 -0.047 0.000 1.329 122 S CA -0.016 58.155 58.200 -0.049 0.000 1.036 122 S CB 0.774 63.951 63.200 -0.039 0.000 0.919 122 S HN 0.235 8.481 8.310 -0.107 0.000 0.515 123 L N 2.726 123.936 121.223 -0.021 0.000 2.418 123 L HA 0.146 4.486 4.340 0.000 0.000 0.265 123 L C -1.335 175.532 176.870 -0.006 0.000 1.143 123 L CA -2.041 52.797 54.840 -0.002 0.000 0.809 123 L CB 0.181 42.247 42.059 0.012 0.000 1.124 123 L HN 0.182 8.402 8.230 -0.016 0.000 0.456 124 P HA 0.134 4.543 4.420 -0.017 0.000 0.276 124 P C -1.193 176.107 177.300 -0.001 0.000 1.244 124 P CA -0.721 62.376 63.100 -0.006 0.000 0.801 124 P CB 0.717 32.413 31.700 -0.007 0.000 1.006 128 c N 0.864 119.438 118.600 -0.043 0.000 2.595 128 c HA 0.044 4.576 4.570 -0.064 0.000 0.384 128 c C 0.102 174.131 174.090 -0.101 0.000 1.289 128 c CA -0.597 55.691 56.329 -0.068 0.000 2.372 128 c CB 0.336 42.809 42.510 -0.061 0.000 2.593 128 c HN -0.024 8.184 8.230 -0.037 0.000 0.639 129 A N 1.677 124.400 122.820 -0.161 0.000 2.302 129 A HA 0.057 4.301 4.320 -0.125 0.000 0.285 129 A C -0.775 176.704 177.584 -0.175 0.000 1.105 129 A CA -0.153 51.779 52.037 -0.174 0.000 0.816 129 A CB 0.813 19.671 19.000 -0.236 0.000 1.067 129 A HN 0.205 8.233 8.150 -0.203 0.000 0.489 133 G N 1.365 110.126 108.800 -0.066 0.000 2.241 133 G HA2 -0.280 3.646 3.960 -0.056 0.000 0.244 133 G HA3 -0.280 3.652 3.960 -0.046 0.000 0.244 133 G C 0.335 175.196 174.900 -0.065 0.000 0.998 133 G CA 0.080 45.146 45.100 -0.057 0.000 0.621 133 G HN 0.744 8.882 8.290 -0.069 0.110 0.519 134 T N 2.896 117.399 114.554 -0.084 0.000 2.928 134 T HA -0.184 4.128 4.350 -0.064 0.000 0.305 134 T C -1.008 173.645 174.700 -0.078 0.000 1.035 134 T CA 2.310 64.360 62.100 -0.083 0.000 1.145 134 T CB 0.681 69.480 68.868 -0.114 0.000 0.963 134 T HN -0.620 7.481 8.240 -0.099 0.080 0.545 135 Q N 5.849 125.618 119.800 -0.052 0.000 2.279 135 Q HA 0.146 4.462 4.340 -0.040 0.000 0.256 135 Q C -0.842 175.140 176.000 -0.030 0.000 0.937 135 Q CA 0.393 56.177 55.803 -0.032 0.000 0.933 135 Q CB 1.071 29.803 28.738 -0.009 0.000 1.189 135 Q HN 0.239 8.482 8.270 -0.045 0.000 0.417 136 c N 3.442 122.025 118.600 -0.027 0.000 2.971 136 c HA 0.636 5.312 4.570 -0.015 -0.115 0.310 136 c C -1.900 172.196 174.090 0.010 0.000 1.285 136 c CA -1.593 54.723 56.329 -0.021 0.000 1.593 136 c CB 4.293 46.770 42.510 -0.053 0.000 2.076 136 c HN 0.853 8.957 8.230 -0.029 0.108 0.472 137 L N 0.970 122.208 121.223 0.024 0.000 2.313 137 L HA 0.839 5.383 4.340 0.053 -0.172 0.283 137 L C -2.208 174.678 176.870 0.027 0.000 1.013 137 L CA -1.368 53.499 54.840 0.046 0.000 0.816 137 L CB 3.074 45.182 42.059 0.083 0.000 1.236 137 L HN 0.707 8.840 8.230 0.019 0.109 0.419 138 I N 7.337 127.907 120.570 0.000 0.000 2.474 138 I HA 0.887 5.303 4.170 0.017 -0.235 0.294 138 I C -1.307 174.780 176.117 -0.051 0.000 1.005 138 I CA -1.563 59.734 61.300 -0.005 0.000 1.113 138 I CB 2.601 40.601 38.000 0.000 0.000 1.289 138 I HN 0.812 9.022 8.210 0.000 0.000 0.436 139 S N 2.256 117.920 115.700 -0.061 0.000 2.618 139 S HA 1.017 5.513 4.470 -0.224 -0.160 0.277 139 S C -1.185 173.297 174.600 -0.196 0.000 1.138 139 S CA -1.705 56.383 58.200 -0.186 0.000 0.844 139 S CB 3.746 66.796 63.200 -0.250 0.000 1.127 139 S HN -0.199 8.107 8.310 -0.007 0.000 0.474 140 G N -1.282 107.310 108.800 -0.346 0.000 2.321 140 G HA2 0.144 3.870 3.960 -0.391 0.000 0.298 140 G HA3 0.144 4.205 3.960 -0.052 -0.133 0.298 140 G C -2.332 172.362 174.900 -0.344 0.000 1.385 140 G CA 0.552 45.480 45.100 -0.287 0.000 0.856 140 G HN 0.232 8.256 8.290 -0.443 0.000 0.584 141 W N 1.151 122.391 121.300 -0.098 0.000 3.015 141 W HA 0.385 4.991 4.660 -0.091 0.000 0.429 141 W C -0.197 176.353 176.519 0.050 0.000 0.976 141 W CA -0.979 56.274 57.345 -0.153 0.000 2.086 141 W CB 0.090 29.240 29.460 -0.516 0.000 1.125 141 W HN 0.591 8.935 8.180 0.274 0.000 0.721 142 G N 0.764 109.740 108.800 0.294 0.000 2.621 142 G HA2 -0.041 4.292 3.960 0.596 0.000 0.271 142 G HA3 -0.041 4.250 3.960 0.295 -0.153 0.271 142 G C -0.994 174.027 174.900 0.201 0.000 1.236 142 G CA -0.795 44.527 45.100 0.370 0.000 0.958 142 G HN -0.382 8.200 8.290 0.186 -0.180 0.512 143 N N -0.412 118.299 118.700 0.018 0.000 2.356 143 N HA -0.322 4.162 4.740 -0.718 -0.175 0.252 143 N C 0.849 176.275 175.510 -0.139 0.000 1.241 143 N CA 1.132 53.968 53.050 -0.357 0.000 0.861 143 N CB 0.593 38.856 38.487 -0.373 0.000 1.075 143 N HN 0.205 8.703 8.380 0.196 0.000 0.461 144 T N 0.788 115.256 114.554 -0.145 0.000 3.105 144 T HA 0.176 4.622 4.350 -0.043 -0.122 0.253 144 T C 0.194 174.857 174.700 -0.061 0.000 1.047 144 T CA 0.363 62.423 62.100 -0.067 0.000 0.944 144 T CB 1.146 69.989 68.868 -0.043 0.000 1.016 144 T HN 0.335 8.450 8.240 -0.209 0.000 0.544 145 K N 2.347 122.696 120.400 -0.086 0.000 2.259 145 K HA 0.307 4.606 4.320 -0.036 0.000 0.252 145 K C -0.368 176.208 176.600 -0.039 0.000 0.936 145 K CA -1.088 55.166 56.287 -0.055 0.000 0.810 145 K CB 2.811 35.276 32.500 -0.060 0.000 1.143 145 K HN -0.564 7.851 8.250 -0.135 -0.247 0.427 146 S N 0.517 116.207 115.700 -0.016 0.000 2.439 146 S HA -0.064 4.409 4.470 0.004 0.000 0.224 146 S C -0.090 174.511 174.600 0.002 0.000 1.029 146 S CA 1.679 59.879 58.200 0.001 0.000 0.946 146 S CB 0.905 64.112 63.200 0.011 0.000 0.797 146 S HN 0.141 8.443 8.310 -0.014 0.000 0.504 147 S N 1.935 117.633 115.700 -0.003 0.000 2.457 147 S HA 0.182 4.656 4.470 0.006 0.000 0.216 147 S C -0.724 173.872 174.600 -0.007 0.000 1.392 147 S CA -0.209 57.992 58.200 0.001 0.000 1.102 147 S CB -0.532 62.669 63.200 0.003 0.000 1.114 147 S HN -0.464 7.841 8.310 -0.008 0.000 0.484 148 G N 1.506 110.300 108.800 -0.011 0.000 2.371 148 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.663 148 G HA3 -0.189 3.762 3.960 -0.015 0.000 0.663 148 G C -2.780 172.091 174.900 -0.048 0.000 1.311 148 G CA -0.713 44.377 45.100 -0.016 0.000 0.985 148 G HN -0.489 7.797 8.290 -0.007 0.000 0.566 149 T N -3.958 110.562 114.554 -0.058 0.000 2.809 149 T HA 0.126 4.545 4.350 -0.248 -0.218 0.284 149 T C -1.197 173.399 174.700 -0.174 0.000 0.992 149 T CA -1.393 60.610 62.100 -0.161 0.000 0.957 149 T CB 2.380 71.210 68.868 -0.064 0.000 0.942 149 T HN -0.110 8.116 8.240 -0.024 0.000 0.439 150 S N 5.370 120.904 115.700 -0.276 0.000 2.756 150 S HA 0.329 4.777 4.470 -0.036 0.000 0.303 150 S C -2.026 172.436 174.600 -0.230 0.000 1.135 150 S CA -1.092 57.029 58.200 -0.132 0.000 1.066 150 S CB 1.772 64.929 63.200 -0.072 0.000 1.008 150 S HN 0.894 9.386 8.310 -0.383 -0.412 0.482 151 Y N 7.234 127.570 120.300 0.060 0.000 2.330 151 Y HA 0.293 4.894 4.550 0.087 0.000 0.336 151 Y C -1.398 174.547 175.900 0.076 0.000 1.036 151 Y CA -2.571 55.577 58.100 0.080 0.000 1.125 151 Y CB 1.039 39.555 38.460 0.094 0.000 1.194 151 Y HN 0.268 8.669 8.280 0.201 0.000 0.469 152 P HA 0.270 4.770 4.420 0.132 0.000 0.278 152 P C -1.580 175.848 177.300 0.212 0.000 1.258 152 P CA -1.062 62.144 63.100 0.177 0.000 0.811 152 P CB 1.876 33.654 31.700 0.130 0.000 1.063 153 D N -2.343 118.157 120.400 0.167 0.000 2.262 153 D HA -0.033 4.670 4.640 0.104 0.000 0.212 153 D C -0.609 175.840 176.300 0.248 0.000 0.964 153 D CA 1.734 55.820 54.000 0.144 0.000 0.875 153 D CB 0.803 41.658 40.800 0.092 0.000 0.996 153 D HN 0.409 8.859 8.370 0.133 0.000 0.497 154 V N -7.907 112.152 119.914 0.243 0.000 3.096 154 V HA 0.592 5.217 4.120 0.420 -0.253 0.319 154 V C -0.761 175.400 176.094 0.112 0.000 1.082 154 V CA -2.801 59.657 62.300 0.264 0.000 1.022 154 V CB 1.963 33.856 31.823 0.117 0.000 1.103 154 V HN -0.932 7.358 8.190 0.168 0.000 0.455 155 L N 1.396 122.546 121.223 -0.122 0.000 2.455 155 L HA -0.032 3.483 4.340 -1.374 0.000 0.272 155 L C -0.316 176.296 176.870 -0.430 0.000 1.174 155 L CA 0.698 55.109 54.840 -0.716 0.000 0.869 155 L CB 0.614 42.233 42.059 -0.734 0.000 1.130 155 L HN -0.113 8.335 8.230 0.071 -0.176 0.474 156 K N 5.559 125.685 120.400 -0.457 0.000 2.156 156 K HA 0.644 4.923 4.320 -0.316 -0.149 0.250 156 K C -1.186 175.161 176.600 -0.422 0.000 0.955 156 K CA -2.561 53.519 56.287 -0.345 0.000 0.855 156 K CB 2.510 34.873 32.500 -0.228 0.000 1.101 156 K HN -0.200 7.702 8.250 -0.581 0.000 0.434 157 c N -0.525 117.724 118.600 -0.585 0.000 2.614 157 c HA 0.913 5.397 4.570 -0.418 -0.165 0.320 157 c C -1.801 171.901 174.090 -0.647 0.000 1.200 157 c CA -0.714 55.202 56.329 -0.689 0.000 1.700 157 c CB 3.483 45.406 42.510 -0.979 0.000 2.275 157 c HN 0.841 8.561 8.230 -0.671 0.108 0.492 158 L N 0.578 121.638 121.223 -0.272 0.000 2.493 158 L HA 0.395 4.767 4.340 0.054 0.000 0.265 158 L C -2.441 174.493 176.870 0.107 0.000 0.954 158 L CA 0.010 54.842 54.840 -0.013 0.000 0.844 158 L CB 4.425 46.502 42.059 0.030 0.000 1.302 158 L HN 0.763 8.871 8.230 -0.203 0.000 0.405 159 K N 6.241 126.775 120.400 0.222 0.000 2.183 159 K HA 0.775 5.367 4.320 0.130 -0.194 0.274 159 K C -0.892 175.837 176.600 0.215 0.000 1.009 159 K CA -1.372 55.027 56.287 0.186 0.000 0.888 159 K CB 1.004 33.618 32.500 0.191 0.000 1.078 159 K HN 0.324 8.746 8.250 0.287 0.000 0.459 160 A N 3.923 126.804 122.820 0.101 0.000 2.549 160 A HA 0.647 4.961 4.320 -0.010 0.000 0.297 160 A C -3.416 174.099 177.584 -0.115 0.000 1.061 160 A CA -2.562 49.465 52.037 -0.016 0.000 0.690 160 A CB 3.104 22.091 19.000 -0.021 0.000 1.287 160 A HN 0.935 9.115 8.150 0.050 0.000 0.402 161 P HA 0.796 5.371 4.420 -0.104 -0.218 0.285 161 P C -1.147 176.079 177.300 -0.123 0.000 1.269 161 P CA -1.559 61.451 63.100 -0.150 0.000 0.844 161 P CB 1.697 33.306 31.700 -0.151 0.000 1.094 162 I N -0.195 120.319 120.570 -0.093 0.000 2.474 162 I HA 0.015 4.338 4.170 0.059 -0.118 0.287 162 I C 0.087 176.185 176.117 -0.032 0.000 1.048 162 I CA 0.203 61.474 61.300 -0.048 0.000 1.383 162 I CB 0.543 38.428 38.000 -0.192 0.000 1.412 162 I HN 0.035 8.181 8.210 -0.107 0.000 0.531 163 L N 6.301 127.541 121.223 0.028 0.000 2.416 163 L HA 0.282 4.611 4.340 -0.019 0.000 0.262 163 L C -0.003 176.883 176.870 0.026 0.000 1.093 163 L CA -0.985 53.863 54.840 0.014 0.000 0.801 163 L CB 0.601 42.680 42.059 0.033 0.000 1.191 163 L HN 0.221 8.409 8.230 0.105 0.105 0.459 164 S N -1.286 114.423 115.700 0.015 0.000 2.593 164 S HA -0.093 4.381 4.470 0.007 0.000 0.269 164 S C 0.399 175.023 174.600 0.040 0.000 1.334 164 S CA -0.765 57.445 58.200 0.016 0.000 1.015 164 S CB 1.678 64.883 63.200 0.008 0.000 0.912 164 S HN -0.066 8.248 8.310 0.007 0.000 0.541 165 D N 1.493 121.918 120.400 0.041 0.000 2.144 165 D HA -0.249 4.440 4.640 0.082 0.000 0.199 165 D C 1.708 178.039 176.300 0.053 0.000 0.984 165 D CA 3.379 57.415 54.000 0.059 0.000 0.834 165 D CB -0.042 40.788 40.800 0.049 0.000 0.955 165 D HN 0.548 8.935 8.370 0.027 0.000 0.465 166 S N -1.066 114.656 115.700 0.036 0.000 2.368 166 S HA -0.312 4.179 4.470 0.035 0.000 0.224 166 S C 2.016 176.634 174.600 0.031 0.000 1.029 166 S CA 3.376 61.595 58.200 0.031 0.000 0.988 166 S CB -0.157 63.055 63.200 0.020 0.000 0.838 166 S HN -0.044 8.283 8.310 0.028 0.000 0.462 167 S N 3.172 118.888 115.700 0.027 0.000 2.383 167 S HA -0.234 4.241 4.470 0.009 0.000 0.227 167 S C 1.757 176.376 174.600 0.032 0.000 1.026 167 S CA 3.950 62.161 58.200 0.019 0.000 0.981 167 S CB -0.154 63.054 63.200 0.013 0.000 0.818 167 S HN -0.454 7.871 8.310 0.026 0.000 0.472 168 c N 3.482 122.121 118.600 0.065 0.000 2.436 168 c HA -0.295 4.349 4.570 0.122 0.000 0.277 168 c C 1.674 175.846 174.090 0.137 0.000 1.241 168 c CA 2.701 59.099 56.329 0.116 0.000 1.721 168 c CB -1.698 40.890 42.510 0.131 0.000 2.043 168 c HN -0.156 8.113 8.230 0.063 0.000 0.472 169 K N -1.084 119.381 120.400 0.109 0.000 2.148 169 K HA -0.323 4.092 4.320 0.158 0.000 0.204 169 K C 2.387 179.032 176.600 0.075 0.000 1.050 169 K CA 2.979 59.332 56.287 0.111 0.000 0.942 169 K CB -0.302 32.248 32.500 0.083 0.000 0.724 169 K HN 0.037 8.341 8.250 0.091 0.000 0.446 170 S N -1.001 114.722 115.700 0.038 0.000 2.383 170 S HA -0.203 4.275 4.470 0.014 0.000 0.227 170 S C 1.440 176.016 174.600 -0.039 0.000 1.026 170 S CA 2.614 60.817 58.200 0.005 0.000 0.981 170 S CB -0.202 62.996 63.200 -0.004 0.000 0.818 170 S HN -0.296 7.934 8.310 0.039 0.103 0.472 171 A N -0.206 122.561 122.820 -0.088 0.000 1.929 171 A HA -0.113 4.050 4.320 -0.263 0.000 0.216 171 A C -0.068 177.249 177.584 -0.445 0.000 1.176 171 A CA 2.035 53.887 52.037 -0.309 0.000 0.628 171 A CB 0.770 19.514 19.000 -0.428 0.000 0.816 171 A HN -0.549 7.479 8.150 -0.039 0.099 0.444 172 Y N -5.685 114.656 120.300 0.068 0.000 2.495 172 Y HA 0.456 5.079 4.550 0.121 0.000 0.362 172 Y C -2.438 173.524 175.900 0.103 0.000 0.956 172 Y CA -3.597 54.575 58.100 0.120 0.000 1.127 172 Y CB -0.381 38.200 38.460 0.201 0.000 1.173 172 Y HN -0.551 7.790 8.280 0.101 0.000 0.639 173 P HA -0.124 4.481 4.420 0.109 -0.120 0.264 173 P C 0.907 178.277 177.300 0.116 0.000 1.183 173 P CA 1.185 64.353 63.100 0.113 0.000 0.763 173 P CB 0.153 31.892 31.700 0.065 0.000 0.807 174 G N 3.331 112.189 108.800 0.096 0.000 2.175 174 G HA2 -0.368 3.627 3.960 0.058 0.000 0.265 174 G HA3 -0.368 3.624 3.960 0.054 0.000 0.265 174 G C 0.068 175.016 174.900 0.080 0.000 0.979 174 G CA 0.818 45.961 45.100 0.071 0.000 0.663 174 G HN 0.502 8.846 8.290 0.090 0.000 0.533 175 Q N -2.708 117.175 119.800 0.138 0.000 2.189 175 Q HA 0.100 4.462 4.340 0.037 0.000 0.223 175 Q C -0.715 175.404 176.000 0.197 0.000 0.828 175 Q CA -0.570 55.308 55.803 0.125 0.000 0.967 175 Q CB 1.536 30.367 28.738 0.154 0.000 1.139 175 Q HN -0.270 8.058 8.270 0.187 0.054 0.497 176 I N 0.555 121.242 120.570 0.196 0.000 2.321 176 I HA 0.081 4.395 4.170 0.239 0.000 0.291 176 I C -0.445 175.747 176.117 0.126 0.000 0.998 176 I CA -2.303 59.110 61.300 0.188 0.000 1.227 176 I CB -0.714 37.391 38.000 0.175 0.000 1.368 176 I HN -0.369 7.945 8.210 0.173 0.000 0.466 177 T N 2.468 117.093 114.554 0.118 0.000 2.910 177 T HA 0.378 4.767 4.350 0.064 0.000 0.279 177 T C 0.841 175.589 174.700 0.081 0.000 0.989 177 T CA -2.101 60.047 62.100 0.079 0.000 0.968 177 T CB 2.216 71.121 68.868 0.062 0.000 1.135 177 T HN -0.389 7.938 8.240 0.144 0.000 0.562 178 S N -2.093 113.640 115.700 0.055 0.000 2.603 178 S HA -0.195 4.313 4.470 0.064 0.000 0.229 178 S C 0.163 174.800 174.600 0.062 0.000 0.972 178 S CA 1.899 60.129 58.200 0.050 0.000 0.935 178 S CB -0.274 62.936 63.200 0.017 0.000 0.769 178 S HN 0.255 8.588 8.310 0.038 0.000 0.536 179 N N 0.238 118.988 118.700 0.083 0.000 2.251 179 N HA 0.180 4.975 4.740 0.093 0.000 0.217 179 N C -1.689 173.938 175.510 0.195 0.000 1.124 179 N CA -0.419 52.709 53.050 0.131 0.000 0.843 179 N CB 0.844 39.430 38.487 0.165 0.000 1.024 179 N HN -0.581 7.767 8.380 0.082 0.081 0.501 180 M N -1.072 118.631 119.600 0.171 0.000 2.593 180 M HA 0.824 5.575 4.480 0.099 -0.211 0.290 180 M C -2.187 174.231 176.300 0.196 0.000 1.244 180 M CA -0.343 55.037 55.300 0.133 0.000 0.857 180 M CB 5.097 37.753 32.600 0.093 0.000 1.738 180 M HN -0.750 7.543 8.290 0.150 0.086 0.461 181 F N -5.849 114.146 119.950 0.076 0.000 2.645 181 F HA 0.614 5.172 4.527 0.051 0.000 0.310 181 F C -2.699 173.152 175.800 0.086 0.000 1.102 181 F CA -2.030 56.011 58.000 0.067 0.000 0.952 181 F CB 2.425 41.461 39.000 0.060 0.000 1.326 181 F HN 0.190 8.346 8.300 -0.240 0.000 0.456 182 c N 0.151 118.913 118.600 0.271 0.000 2.366 182 c HA 1.005 5.823 4.570 0.074 -0.204 0.345 182 c C -0.944 173.337 174.090 0.317 0.000 1.209 182 c CA -0.825 55.614 56.329 0.184 0.000 2.050 182 c CB 2.615 45.204 42.510 0.132 0.000 2.359 182 c HN 0.819 9.238 8.230 0.315 0.000 0.527 183 A N 2.907 125.896 122.820 0.281 0.000 2.530 183 A HA 0.668 5.178 4.320 0.082 -0.141 0.279 183 A C -2.278 175.351 177.584 0.076 0.000 1.109 183 A CA -0.461 51.655 52.037 0.131 0.000 0.763 183 A CB 2.619 21.603 19.000 -0.027 0.000 1.257 183 A HN 0.416 8.767 8.150 0.335 0.000 0.424 184 Y N 2.710 123.044 120.300 0.056 0.000 2.365 184 Y HA 0.032 4.603 4.550 0.035 0.000 0.340 184 Y C 1.029 176.947 175.900 0.030 0.000 1.016 184 Y CA -0.014 58.109 58.100 0.038 0.000 1.196 184 Y CB 0.596 39.076 38.460 0.034 0.000 1.167 184 Y HN 0.207 8.630 8.280 0.239 0.000 0.509 185 L N 4.009 125.308 121.223 0.126 0.000 2.291 185 L HA -0.276 4.098 4.340 0.056 0.000 0.214 185 L C 1.055 177.972 176.870 0.078 0.000 1.120 185 L CA 2.069 56.953 54.840 0.072 0.000 0.799 185 L CB -0.373 41.707 42.059 0.035 0.000 0.925 185 L HN 0.530 8.820 8.230 0.100 0.000 0.446 186 E N -2.047 118.218 120.200 0.108 0.000 2.418 186 E HA -0.128 4.250 4.350 0.048 0.000 0.197 186 E C 0.748 177.384 176.600 0.059 0.000 1.026 186 E CA 0.273 56.715 56.400 0.069 0.000 0.862 186 E CB -0.492 29.245 29.700 0.061 0.000 0.799 186 E HN 0.100 8.519 8.360 0.159 0.037 0.518 187 G N 0.738 109.590 108.800 0.085 0.000 3.292 187 G HA2 -0.370 3.680 3.960 0.078 0.000 0.636 187 G HA3 -0.370 3.615 3.960 0.042 0.000 0.636 187 G C -0.915 174.006 174.900 0.035 0.000 1.069 187 G CA -0.170 44.967 45.100 0.062 0.000 0.890 187 G HN -0.608 7.602 8.290 0.132 0.160 0.427 188 K N 0.929 121.331 120.400 0.002 0.000 7.156 188 K HA -0.597 3.984 4.320 0.010 -0.254 0.723 188 K C -1.450 175.246 176.600 0.160 0.000 2.501 188 K CA 0.375 56.678 56.287 0.027 0.000 1.807 188 K CB -0.059 32.351 32.500 -0.149 0.000 1.947 188 K HN 0.291 8.570 8.250 0.048 0.000 0.300 189 D N 0.585 121.063 120.400 0.130 0.000 2.725 189 D HA 0.313 5.075 4.640 0.204 0.000 0.292 189 D C -1.858 174.514 176.300 0.120 0.000 1.288 189 D CA -0.670 53.421 54.000 0.151 0.000 0.784 189 D CB 4.484 45.355 40.800 0.119 0.000 1.308 189 D HN 0.287 8.709 8.370 0.087 0.000 0.429 190 S N -1.417 114.366 115.700 0.139 0.000 2.707 190 S HA 0.326 4.911 4.470 0.097 -0.057 0.276 190 S C -1.326 173.324 174.600 0.084 0.000 1.179 190 S CA -0.473 57.799 58.200 0.120 0.000 0.992 190 S CB 1.624 64.931 63.200 0.178 0.000 1.030 190 S HN 0.272 8.681 8.310 0.165 0.000 0.554 191 c N -1.637 117.016 118.600 0.089 0.000 3.293 191 c HA 0.235 4.850 4.570 0.075 0.000 0.362 191 c C -1.626 172.546 174.090 0.137 0.000 1.539 191 c CA -0.576 55.805 56.329 0.087 0.000 1.201 191 c CB 2.846 45.388 42.510 0.054 0.000 1.770 191 c HN 0.236 8.823 8.230 0.106 -0.294 0.440 192 Q N 1.923 121.814 119.800 0.151 0.000 2.283 192 Q HA -0.318 4.152 4.340 0.217 0.000 0.301 192 Q C 0.771 176.970 176.000 0.332 0.000 1.063 192 Q CA 2.213 58.152 55.803 0.226 0.000 0.952 192 Q CB 0.583 29.455 28.738 0.225 0.000 1.166 192 Q HN 0.598 8.937 8.270 0.115 0.000 0.381 193 G N 6.344 115.343 108.800 0.332 0.000 2.238 193 G HA2 -0.400 3.757 3.960 0.328 0.000 0.217 193 G HA3 -0.400 3.888 3.960 0.547 0.000 0.217 193 G C 0.627 175.763 174.900 0.393 0.000 0.996 193 G CA 0.949 46.294 45.100 0.408 0.000 0.632 193 G HN 0.797 9.257 8.290 0.282 0.000 0.503 194 D N 1.233 121.800 120.400 0.279 0.000 2.346 194 D HA 0.106 4.897 4.640 0.251 0.000 0.206 194 D C 0.150 176.554 176.300 0.174 0.000 1.001 194 D CA 0.900 55.031 54.000 0.219 0.000 0.871 194 D CB 0.659 41.554 40.800 0.159 0.000 0.943 194 D HN 0.162 8.592 8.370 0.253 0.092 0.518 195 S N -0.572 115.229 115.700 0.169 0.000 2.561 195 S HA -0.569 4.124 4.470 0.138 -0.140 0.294 195 S C 1.009 175.623 174.600 0.024 0.000 1.294 195 S CA 2.676 60.949 58.200 0.121 0.000 1.055 195 S CB 0.196 63.502 63.200 0.177 0.000 0.819 195 S HN -0.356 8.033 8.310 0.203 0.042 0.503 196 G N 4.188 112.986 108.800 -0.003 0.000 2.225 196 G HA2 -0.468 3.540 3.960 -0.031 0.000 0.254 196 G HA3 -0.468 3.559 3.960 -0.062 -0.104 0.254 196 G C -0.211 174.722 174.900 0.054 0.000 0.988 196 G CA 0.227 45.317 45.100 -0.017 0.000 0.625 196 G HN 0.794 8.999 8.290 0.027 0.101 0.527 197 G N 0.780 109.636 108.800 0.094 0.000 2.621 197 G HA2 0.367 4.475 3.960 0.121 0.000 0.271 197 G HA3 0.367 4.400 3.960 0.121 0.000 0.271 197 G C -2.683 172.299 174.900 0.137 0.000 1.236 197 G CA -2.003 43.169 45.100 0.120 0.000 0.958 197 G HN -0.371 7.889 8.290 0.101 0.091 0.512 198 P HA 0.323 4.824 4.420 0.135 0.000 0.286 198 P C -1.648 175.722 177.300 0.117 0.000 1.261 198 P CA -0.895 62.300 63.100 0.158 0.000 0.821 198 P CB 1.599 33.459 31.700 0.267 0.000 1.013 199 V N 3.030 122.993 119.914 0.081 0.000 2.357 199 V HA 0.294 4.580 4.120 -0.005 -0.169 0.281 199 V C -1.300 174.808 176.094 0.024 0.000 1.015 199 V CA -0.477 61.834 62.300 0.018 0.000 0.827 199 V CB 1.491 33.301 31.823 -0.022 0.000 1.018 199 V HN -0.236 8.007 8.190 0.088 0.000 0.432 200 V N 7.875 127.795 119.914 0.010 0.000 2.459 200 V HA 0.600 4.866 4.120 -0.062 -0.183 0.295 200 V C -1.367 174.710 176.094 -0.028 0.000 1.029 200 V CA -1.277 61.001 62.300 -0.037 0.000 0.874 200 V CB 3.019 34.799 31.823 -0.072 0.000 0.985 200 V HN 0.669 8.879 8.190 0.034 0.000 0.438 201 c N 7.164 125.735 118.600 -0.049 0.000 2.431 201 c HA 0.570 5.120 4.570 -0.034 0.000 0.321 201 c C 0.194 174.256 174.090 -0.047 0.000 1.202 201 c CA -1.191 55.108 56.329 -0.049 0.000 1.398 201 c CB 1.987 44.449 42.510 -0.080 0.000 2.047 201 c HN 0.684 8.877 8.230 -0.061 0.000 0.465 202 S N 5.448 121.129 115.700 -0.032 0.000 3.549 202 S HA -0.347 4.113 4.470 -0.016 0.000 0.366 202 S C 0.281 174.862 174.600 -0.032 0.000 1.012 202 S CA 1.051 59.234 58.200 -0.027 0.000 1.141 202 S CB -1.173 62.007 63.200 -0.033 0.000 0.910 202 S HN 1.147 9.443 8.310 -0.023 0.000 0.471 203 G N -5.542 103.237 108.800 -0.035 0.000 2.168 203 G HA2 -0.360 3.567 3.960 -0.056 0.000 0.263 203 G HA3 -0.360 3.579 3.960 -0.035 0.000 0.263 203 G C -0.787 174.062 174.900 -0.085 0.000 0.977 203 G CA 0.437 45.505 45.100 -0.052 0.000 0.659 203 G HN 0.307 8.568 8.290 -0.027 0.012 0.533 210 Q N 0.958 120.778 119.800 0.033 0.000 2.391 210 Q HA 0.177 4.554 4.340 0.061 0.000 0.211 210 Q C -0.192 175.967 176.000 0.265 0.000 0.908 210 Q CA 0.260 56.105 55.803 0.070 0.000 0.920 210 Q CB 2.503 31.202 28.738 -0.064 0.000 1.056 210 Q HN 0.255 8.534 8.270 0.015 0.000 0.523 211 G N -3.232 105.743 108.800 0.292 0.000 2.694 211 G HA2 0.603 5.062 3.960 0.412 0.000 0.290 211 G HA3 0.603 4.835 3.960 0.453 0.000 0.290 211 G C -3.275 171.748 174.900 0.205 0.000 1.386 211 G CA -0.675 44.641 45.100 0.359 0.000 0.872 211 G HN -0.406 7.993 8.290 0.181 0.000 0.475 212 I N -1.195 119.487 120.570 0.187 0.000 2.498 212 I HA 0.559 5.033 4.170 0.155 -0.211 0.290 212 I C -0.427 175.813 176.117 0.205 0.000 1.032 212 I CA -1.441 59.953 61.300 0.156 0.000 1.073 212 I CB 4.303 42.357 38.000 0.091 0.000 1.251 212 I HN -0.378 8.010 8.210 0.169 -0.076 0.426 213 V N 7.230 127.281 119.914 0.230 0.000 2.493 213 V HA -0.238 3.963 4.120 0.135 0.000 0.292 213 V C -1.146 174.969 176.094 0.035 0.000 1.016 213 V CA 2.232 64.626 62.300 0.156 0.000 1.097 213 V CB -1.005 30.927 31.823 0.181 0.000 0.947 213 V HN 0.389 8.699 8.190 0.200 0.000 0.479 214 S N 7.721 123.347 115.700 -0.124 0.000 3.066 214 S HA 0.298 4.960 4.470 0.319 0.000 0.235 214 S C -0.802 173.905 174.600 0.177 0.000 0.995 214 S CA 0.865 59.135 58.200 0.118 0.000 0.835 214 S CB 2.339 65.598 63.200 0.099 0.000 0.814 214 S HN -0.025 7.999 8.310 -0.478 0.000 0.594 215 W N -4.356 116.791 121.300 -0.255 0.000 2.923 215 W HA 0.274 4.835 4.660 -0.166 0.000 0.373 215 W C -2.976 173.375 176.519 -0.279 0.000 1.205 215 W CA -0.679 56.526 57.345 -0.233 0.000 1.180 215 W CB 0.578 29.894 29.460 -0.240 0.000 1.477 215 W HN -0.201 7.640 8.180 -0.566 0.000 0.581 216 G N -3.013 105.836 108.800 0.081 0.000 2.441 216 G HA2 0.204 3.907 3.960 -0.429 0.000 0.294 216 G HA3 0.204 4.106 3.960 -0.096 0.000 0.294 216 G C -2.279 172.752 174.900 0.218 0.000 1.393 216 G CA 0.175 45.232 45.100 -0.071 0.000 0.796 216 G HN -0.025 8.472 8.290 0.346 0.000 0.494 220 c N 2.044 120.682 118.600 0.062 0.000 3.370 220 c HA 0.305 5.062 4.570 0.064 -0.149 0.190 220 c C -1.538 172.584 174.090 0.054 0.000 1.647 220 c CA -0.816 55.547 56.329 0.057 0.000 1.277 220 c CB -1.269 41.268 42.510 0.044 0.000 2.037 220 c HN 0.308 8.571 8.230 0.054 0.000 0.537 221 Q N -1.448 118.386 119.800 0.057 0.000 2.920 221 Q HA 0.132 4.493 4.340 0.035 0.000 0.255 221 Q C -1.948 174.076 176.000 0.040 0.000 0.976 221 Q CA -0.628 55.201 55.803 0.043 0.000 0.862 221 Q CB 2.181 30.946 28.738 0.045 0.000 1.952 221 Q HN 0.182 8.492 8.270 0.067 0.000 0.489 222 K N 2.534 122.950 120.400 0.027 0.000 2.436 222 K HA -0.355 4.177 4.320 0.035 -0.191 0.275 222 K C 0.498 177.098 176.600 0.001 0.000 0.999 222 K CA 1.630 57.930 56.287 0.021 0.000 0.980 222 K CB 0.118 32.626 32.500 0.015 0.000 0.919 222 K HN 0.188 8.452 8.250 0.023 0.000 0.484 223 N N 1.861 120.558 118.700 -0.005 0.000 2.713 223 N HA -0.479 4.237 4.740 -0.039 0.000 0.251 223 N C -1.627 173.814 175.510 -0.114 0.000 1.117 223 N CA 1.796 54.816 53.050 -0.050 0.000 0.770 223 N CB -0.445 38.007 38.487 -0.058 0.000 1.137 223 N HN 0.813 9.075 8.380 0.015 0.127 0.566 224 K N -2.260 118.104 120.400 -0.060 0.000 2.762 224 K HA 0.537 4.669 4.320 -0.313 0.000 0.180 224 K C -2.376 174.279 176.600 0.092 0.000 1.067 224 K CA -3.492 52.759 56.287 -0.060 0.000 0.973 224 K CB -0.129 32.393 32.500 0.037 0.000 1.290 224 K HN -0.765 7.429 8.250 -0.003 0.054 0.604 225 P HA -0.016 4.471 4.420 0.112 0.000 0.274 225 P C -0.473 176.882 177.300 0.092 0.000 1.256 225 P CA -0.495 62.677 63.100 0.120 0.000 0.795 225 P CB 1.183 32.941 31.700 0.097 0.000 1.038 226 G N -2.107 106.714 108.800 0.035 0.000 2.503 226 G HA2 0.288 4.048 3.960 -0.333 0.000 0.257 226 G HA3 0.288 4.131 3.960 -0.195 0.000 0.257 226 G C -1.774 172.820 174.900 -0.511 0.000 1.214 226 G CA -0.584 44.366 45.100 -0.251 0.000 0.839 226 G HN -0.359 8.009 8.290 0.130 0.000 0.559 227 V N 1.774 121.036 119.914 -1.087 0.000 2.495 227 V HA 0.650 4.536 4.120 -0.681 -0.175 0.298 227 V C -0.968 174.344 176.094 -1.303 0.000 1.031 227 V CA -1.006 60.605 62.300 -1.149 0.000 0.871 227 V CB 2.296 32.986 31.823 -1.889 0.000 0.988 227 V HN 0.454 7.956 8.190 -1.148 0.000 0.432 228 Y N 5.104 124.987 120.300 -0.694 0.000 2.485 228 Y HA 0.566 5.015 4.550 -0.391 -0.134 0.345 228 Y C 0.253 175.857 175.900 -0.494 0.000 0.998 228 Y CA -2.244 55.457 58.100 -0.665 0.000 1.059 228 Y CB 3.711 41.498 38.460 -1.123 0.000 1.234 228 Y HN 1.020 8.922 8.280 -0.630 0.000 0.461 229 T N 5.016 119.531 114.554 -0.065 0.000 2.851 229 T HA 0.022 4.582 4.350 0.105 -0.147 0.298 229 T C -0.654 174.179 174.700 0.222 0.000 0.977 229 T CA 1.491 63.642 62.100 0.084 0.000 1.126 229 T CB 0.467 69.372 68.868 0.062 0.000 0.916 229 T HN 0.532 8.765 8.240 -0.012 0.000 0.529 230 K N 8.449 129.064 120.400 0.358 0.000 2.127 230 K HA 0.072 4.813 4.320 0.702 0.000 0.261 230 K C 0.966 177.816 176.600 0.416 0.000 1.129 230 K CA -0.411 56.164 56.287 0.480 0.000 0.993 230 K CB -0.418 32.317 32.500 0.391 0.000 1.410 230 K HN 0.191 8.531 8.250 0.325 0.105 0.380 231 V N 5.856 125.997 119.914 0.379 0.000 2.469 231 V HA -0.526 3.883 4.120 0.482 0.000 0.251 231 V C 1.420 177.673 176.094 0.264 0.000 1.064 231 V CA 3.893 66.401 62.300 0.347 0.000 1.066 231 V CB -0.297 31.663 31.823 0.228 0.000 0.667 231 V HN 0.261 8.685 8.190 0.391 0.000 0.461 232 c N -3.204 115.490 118.600 0.157 0.000 2.410 232 c HA -0.225 4.390 4.570 0.076 0.000 0.281 232 c C 1.736 175.846 174.090 0.033 0.000 1.318 232 c CA 1.722 58.096 56.329 0.075 0.000 1.776 232 c CB -2.103 40.421 42.510 0.024 0.000 1.942 232 c HN 0.451 8.755 8.230 0.156 0.019 0.508 233 N N 0.874 119.559 118.700 -0.024 0.000 2.494 233 N HA -0.102 4.539 4.740 -0.165 0.000 0.182 233 N C 0.301 175.572 175.510 -0.398 0.000 1.076 233 N CA 1.223 54.117 53.050 -0.260 0.000 0.908 233 N CB -0.203 37.988 38.487 -0.493 0.000 0.967 233 N HN -0.332 8.046 8.380 0.053 0.034 0.449 234 Y N -4.733 115.636 120.300 0.115 0.000 2.557 234 Y HA 0.171 4.855 4.550 0.223 0.000 0.247 234 Y C -0.069 175.967 175.900 0.226 0.000 1.164 234 Y CA -0.714 57.509 58.100 0.205 0.000 1.218 234 Y CB -0.097 38.502 38.460 0.233 0.000 1.210 234 Y HN -0.190 8.016 8.280 0.189 0.187 0.529 235 V N 1.055 121.106 119.914 0.229 0.000 2.343 235 V HA -0.558 3.657 4.120 0.158 0.000 0.247 235 V C 1.323 177.489 176.094 0.121 0.000 1.051 235 V CA 4.903 67.293 62.300 0.150 0.000 1.036 235 V CB -0.560 31.313 31.823 0.083 0.000 0.654 235 V HN -0.832 7.455 8.190 0.161 0.000 0.451 236 S N -0.187 115.585 115.700 0.120 0.000 2.383 236 S HA -0.310 4.181 4.470 0.035 0.000 0.227 236 S C 1.756 176.428 174.600 0.120 0.000 1.026 236 S CA 3.137 61.389 58.200 0.086 0.000 0.981 236 S CB -0.424 62.823 63.200 0.079 0.000 0.818 236 S HN 0.130 8.509 8.310 0.116 0.000 0.472 237 W N 4.120 125.459 121.300 0.064 0.000 2.355 237 W HA -0.178 4.508 4.660 0.044 0.000 0.309 237 W C 1.566 178.101 176.519 0.027 0.000 1.206 237 W CA 3.066 60.460 57.345 0.081 0.000 1.284 237 W CB -0.020 29.574 29.460 0.223 0.000 1.145 237 W HN -0.411 7.987 8.180 0.381 0.011 0.502 238 I N -0.738 119.841 120.570 0.016 0.000 2.142 238 I HA -0.757 3.025 4.170 -0.646 0.000 0.240 238 I C 1.833 177.726 176.117 -0.375 0.000 1.078 238 I CA 4.531 65.659 61.300 -0.287 0.000 1.343 238 I CB -0.231 37.757 38.000 -0.019 0.000 1.046 238 I HN 0.310 8.718 8.210 0.331 0.000 0.405 239 K N -0.913 119.363 120.400 -0.208 0.000 2.032 239 K HA -0.435 3.735 4.320 -0.249 0.000 0.209 239 K C 2.775 179.223 176.600 -0.252 0.000 1.048 239 K CA 3.826 59.986 56.287 -0.212 0.000 0.927 239 K CB -0.355 32.080 32.500 -0.108 0.000 0.712 239 K HN -0.133 8.060 8.250 -0.094 0.000 0.441 240 Q N -2.246 117.417 119.800 -0.227 0.000 2.119 240 Q HA -0.277 3.969 4.340 -0.158 0.000 0.201 240 Q C 2.674 178.488 176.000 -0.309 0.000 0.972 240 Q CA 3.370 59.049 55.803 -0.208 0.000 0.847 240 Q CB 0.039 28.701 28.738 -0.127 0.000 0.903 240 Q HN 0.131 8.291 8.270 -0.184 0.000 0.433 241 T N 2.692 116.936 114.554 -0.517 0.000 2.777 241 T HA -0.246 3.863 4.350 -0.402 0.000 0.266 241 T C 2.223 176.599 174.700 -0.540 0.000 1.040 241 T CA 4.898 66.650 62.100 -0.580 0.000 1.141 241 T CB -0.150 68.110 68.868 -1.013 0.000 0.868 241 T HN -0.124 7.741 8.240 -0.624 0.000 0.444 242 I N 0.993 121.140 120.570 -0.705 0.000 2.252 242 I HA -0.448 2.963 4.170 -1.264 0.000 0.245 242 I C 1.791 177.686 176.117 -0.369 0.000 1.102 242 I CA 3.763 64.538 61.300 -0.875 0.000 1.385 242 I CB -0.395 37.006 38.000 -0.998 0.000 1.064 242 I HN -0.011 7.785 8.210 -0.689 0.000 0.414 243 A N -0.391 122.265 122.820 -0.273 0.000 1.972 243 A HA -0.223 4.036 4.320 -0.101 0.000 0.219 243 A C 1.354 178.889 177.584 -0.082 0.000 1.169 243 A CA 2.818 54.773 52.037 -0.137 0.000 0.635 243 A CB -0.483 18.445 19.000 -0.121 0.000 0.810 243 A HN 0.064 8.024 8.150 -0.317 0.000 0.446 244 S N -4.457 111.184 115.700 -0.099 0.000 2.577 244 S HA 0.087 4.543 4.470 -0.024 0.000 0.219 244 S C -0.487 174.117 174.600 0.007 0.000 0.962 244 S CA 0.836 59.010 58.200 -0.043 0.000 0.921 244 S CB 0.814 63.979 63.200 -0.058 0.000 0.789 244 S HN -0.422 7.684 8.310 -0.162 0.107 0.497 245 N N 0.000 118.732 118.700 0.054 0.000 1.763 245 N HA 0.000 4.813 4.740 0.122 0.000 0.220 245 N CA 0.000 53.159 53.050 0.182 0.000 0.885 245 N CB 0.000 38.672 38.487 0.308 0.000 1.341 245 N HN 0.000 8.220 8.380 0.014 0.169 0.667