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 1o2j_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 0.000 176.111 176.117 -0.010 0.000 1.063 16 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 16 I CB 0.000 37.963 38.000 -0.061 0.000 1.214 17 V N 5.300 125.218 119.914 0.007 0.000 2.547 17 V HA 0.231 4.471 4.120 -0.016 -0.130 0.299 17 V C 0.692 176.784 176.094 -0.005 0.000 1.040 17 V CA -1.652 60.646 62.300 -0.003 0.000 0.913 17 V CB 1.312 33.140 31.823 0.008 0.000 0.992 17 V HN 0.824 9.031 8.190 0.028 0.000 0.449 18 G N 5.881 114.672 108.800 -0.014 0.000 2.168 18 G HA2 -0.404 3.544 3.960 -0.020 0.000 0.257 18 G HA3 -0.404 3.691 3.960 -0.040 -0.159 0.257 18 G C -0.599 174.300 174.900 -0.001 0.000 0.997 18 G CA 0.627 45.715 45.100 -0.021 0.000 0.708 18 G HN 0.806 9.087 8.290 -0.015 0.000 0.520 19 G N -1.004 107.793 108.800 -0.005 0.000 2.583 19 G HA2 0.502 4.479 3.960 0.054 0.000 0.280 19 G HA3 0.502 4.479 3.960 -0.118 -0.088 0.280 19 G C -1.710 173.216 174.900 0.043 0.000 1.376 19 G CA -1.040 44.049 45.100 -0.018 0.000 1.043 19 G HN -0.695 7.540 8.290 -0.020 0.043 0.538 20 Y N -6.184 114.096 120.300 -0.033 0.000 2.638 20 Y HA 0.391 4.923 4.550 -0.030 0.000 0.339 20 Y C -1.749 174.125 175.900 -0.044 0.000 1.084 20 Y CA -2.845 55.235 58.100 -0.033 0.000 1.068 20 Y CB 1.216 39.659 38.460 -0.028 0.000 1.294 20 Y HN 0.408 8.201 8.280 -0.637 0.105 0.480 21 T N 2.539 117.163 114.554 0.116 0.000 2.769 21 T HA 0.091 4.518 4.350 -0.078 -0.124 0.293 21 T C 0.309 175.051 174.700 0.070 0.000 0.931 21 T CA 1.006 63.119 62.100 0.022 0.000 1.139 21 T CB -0.215 68.683 68.868 0.050 0.000 0.881 21 T HN 0.013 8.365 8.240 0.186 0.000 0.532 22 c N 6.455 125.004 118.600 -0.086 0.000 2.413 22 c HA -0.135 4.467 4.570 0.054 0.000 0.276 22 c C 0.259 174.374 174.090 0.041 0.000 1.248 22 c CA 0.887 57.195 56.329 -0.035 0.000 1.742 22 c CB 0.151 42.566 42.510 -0.158 0.000 2.017 22 c HN -0.090 8.028 8.230 -0.187 0.000 0.481 23 G N -2.185 106.621 108.800 0.011 0.000 2.742 23 G HA2 -0.165 3.812 3.960 0.028 0.000 0.686 23 G HA3 -0.165 3.814 3.960 0.031 0.000 0.686 23 G C -1.921 172.981 174.900 0.004 0.000 1.220 23 G CA -0.860 44.253 45.100 0.022 0.000 0.783 23 G HN -0.356 7.924 8.290 -0.017 0.000 0.646 24 A N 3.442 126.271 122.820 0.016 0.000 2.546 24 A HA -0.223 4.276 4.320 0.028 -0.163 0.243 24 A C -0.213 177.376 177.584 0.009 0.000 1.063 24 A CA 1.071 53.120 52.037 0.021 0.000 0.757 24 A CB 0.056 19.074 19.000 0.031 0.000 0.991 24 A HN 0.313 8.476 8.150 0.022 0.000 0.503 25 N N -2.651 116.052 118.700 0.005 0.000 2.708 25 N HA -0.375 4.356 4.740 -0.015 0.000 0.251 25 N C 0.473 175.963 175.510 -0.033 0.000 1.123 25 N CA 1.706 54.749 53.050 -0.010 0.000 0.739 25 N CB -1.023 37.468 38.487 0.008 0.000 1.113 25 N HN 0.577 8.968 8.380 0.018 0.000 0.561 26 T N -3.524 111.003 114.554 -0.045 0.000 3.113 26 T HA -0.003 4.338 4.350 -0.015 0.000 0.256 26 T C 0.001 174.649 174.700 -0.087 0.000 1.131 26 T CA 2.066 64.144 62.100 -0.036 0.000 1.074 26 T CB 0.413 69.275 68.868 -0.010 0.000 0.944 26 T HN -0.517 7.661 8.240 -0.047 0.034 0.516 27 V N 2.440 122.242 119.914 -0.186 0.000 2.320 27 V HA 0.373 4.246 4.120 -0.411 0.000 0.257 27 V C -1.502 174.287 176.094 -0.507 0.000 0.996 27 V CA -3.420 58.618 62.300 -0.437 0.000 0.928 27 V CB 0.584 32.126 31.823 -0.467 0.000 1.169 27 V HN -0.519 7.506 8.190 -0.158 0.071 0.475 28 P HA 0.059 4.524 4.420 -0.091 -0.100 0.230 28 P C -0.069 177.176 177.300 -0.092 0.000 1.158 28 P CA 1.549 64.574 63.100 -0.124 0.000 0.769 28 P CB 0.109 31.811 31.700 0.004 0.000 0.807 29 Y N -6.194 114.132 120.300 0.043 0.000 2.457 29 Y HA 0.525 5.248 4.550 0.058 -0.138 0.263 29 Y C -0.627 175.311 175.900 0.063 0.000 1.164 29 Y CA -3.368 54.763 58.100 0.052 0.000 1.274 29 Y CB -1.184 37.302 38.460 0.044 0.000 1.097 29 Y HN -0.435 7.169 8.280 -1.032 0.057 0.523 30 Q N 2.956 122.618 119.800 -0.230 0.000 2.313 30 Q HA 0.141 4.654 4.340 0.090 -0.119 0.266 30 Q C -0.414 175.671 176.000 0.142 0.000 0.989 30 Q CA 0.310 56.094 55.803 -0.030 0.000 0.890 30 Q CB 1.046 29.663 28.738 -0.203 0.000 1.200 30 Q HN -0.669 7.226 8.270 -0.529 0.057 0.396 31 V N 0.708 120.743 119.914 0.202 0.000 3.074 31 V HA 0.817 5.170 4.120 0.192 -0.117 0.314 31 V C -2.016 174.219 176.094 0.235 0.000 1.117 31 V CA -2.918 59.493 62.300 0.185 0.000 1.014 31 V CB 4.071 35.953 31.823 0.098 0.000 1.057 31 V HN 0.321 8.627 8.190 0.193 0.000 0.438 32 S N 0.586 116.326 115.700 0.067 0.000 2.454 32 S HA 0.449 5.133 4.470 0.171 -0.111 0.306 32 S C -1.138 173.333 174.600 -0.214 0.000 1.100 32 S CA -2.285 55.890 58.200 -0.042 0.000 1.087 32 S CB 1.592 64.572 63.200 -0.366 0.000 1.019 32 S HN -0.111 8.199 8.310 -0.000 0.000 0.480 33 L N 6.904 127.865 121.223 -0.437 0.000 2.282 33 L HA 0.516 4.760 4.340 -0.364 -0.122 0.288 33 L C -1.611 174.801 176.870 -0.763 0.000 1.033 33 L CA -0.792 53.675 54.840 -0.621 0.000 0.807 33 L CB 1.140 42.630 42.059 -0.949 0.000 1.209 33 L HN 0.788 8.708 8.230 -0.517 0.000 0.423 38 G N 0.691 109.404 108.800 -0.145 0.000 2.179 38 G HA2 -0.336 3.613 3.960 -0.019 0.000 0.220 38 G HA3 -0.336 3.685 3.960 0.101 0.000 0.220 38 G C -1.888 173.105 174.900 0.154 0.000 0.990 38 G CA 0.239 45.354 45.100 0.025 0.000 0.646 38 G HN 0.306 8.781 8.290 -0.187 -0.298 0.517 39 Y N -7.435 112.837 120.300 -0.046 0.000 2.732 39 Y HA 0.198 4.710 4.550 -0.063 0.000 0.342 39 Y C -2.547 173.344 175.900 -0.014 0.000 1.203 39 Y CA -3.654 54.421 58.100 -0.041 0.000 1.092 39 Y CB 0.784 39.220 38.460 -0.040 0.000 1.345 39 Y HN -1.255 6.829 8.280 -0.353 -0.016 0.458 40 H N 2.392 121.411 119.070 -0.085 0.000 2.690 40 H HA 0.074 4.573 4.556 -0.348 -0.151 0.314 40 H C -0.502 174.792 175.328 -0.057 0.000 1.069 40 H CA -0.600 55.320 56.048 -0.213 0.000 1.436 40 H CB 0.491 30.110 29.762 -0.239 0.000 1.462 40 H HN 0.284 8.667 8.280 0.171 0.000 0.511 41 F N 2.427 121.877 119.950 -0.833 0.000 2.819 41 F HA 0.323 4.718 4.527 -0.220 0.000 0.325 41 F C -1.463 174.061 175.800 -0.459 0.000 1.041 41 F CA -0.624 57.100 58.000 -0.460 0.000 1.184 41 F CB 1.623 40.427 39.000 -0.326 0.000 1.019 41 F HN -0.075 7.481 8.300 -1.241 0.000 0.590 42 c N -1.441 116.474 118.600 -1.142 0.000 3.311 42 c HA 0.313 4.754 4.570 -0.215 0.000 0.325 42 c C -1.717 172.176 174.090 -0.328 0.000 1.352 42 c CA -0.162 55.848 56.329 -0.532 0.000 1.308 42 c CB 4.109 46.367 42.510 -0.420 0.000 1.619 42 c HN -0.820 6.429 8.230 -1.635 0.000 0.469 43 G N -0.938 107.853 108.800 -0.016 0.000 2.601 43 G HA2 0.816 5.069 3.960 0.237 0.000 0.317 43 G HA3 0.816 4.904 3.960 0.213 0.000 0.317 43 G C -2.531 172.394 174.900 0.042 0.000 1.246 43 G CA -1.643 43.542 45.100 0.142 0.000 1.012 43 G HN 0.739 9.025 8.290 -0.007 0.000 0.494 44 G N -4.015 104.842 108.800 0.095 0.000 2.506 44 G HA2 0.543 4.816 3.960 0.067 0.000 0.292 44 G HA3 0.543 4.531 3.960 0.047 0.000 0.292 44 G C -2.964 172.017 174.900 0.136 0.000 1.425 44 G CA 0.298 45.445 45.100 0.079 0.000 0.788 44 G HN -0.570 7.950 8.290 0.153 -0.139 0.490 45 S N -0.502 115.284 115.700 0.142 0.000 2.521 45 S HA 0.798 5.622 4.470 0.261 -0.197 0.295 45 S C -1.201 173.501 174.600 0.170 0.000 1.098 45 S CA -0.930 57.387 58.200 0.195 0.000 0.999 45 S CB 3.706 67.008 63.200 0.170 0.000 1.034 45 S HN 0.422 8.803 8.310 0.118 0.000 0.483 46 L N 6.147 127.488 121.223 0.197 0.000 2.313 46 L HA 0.102 4.531 4.340 0.148 0.000 0.282 46 L C -0.721 176.235 176.870 0.143 0.000 1.092 46 L CA 0.046 54.983 54.840 0.163 0.000 0.831 46 L CB 0.850 43.005 42.059 0.161 0.000 1.159 46 L HN 0.461 8.846 8.230 0.258 0.000 0.442 47 I N 0.785 121.435 120.570 0.134 0.000 4.070 47 I HA 0.483 4.837 4.170 0.068 -0.143 0.328 47 I C -0.938 175.238 176.117 0.099 0.000 1.298 47 I CA -0.583 60.774 61.300 0.094 0.000 1.173 47 I CB 0.924 38.967 38.000 0.072 0.000 1.051 47 I HN 0.242 8.549 8.210 0.162 0.000 0.409 48 N N -1.970 116.813 118.700 0.137 0.000 3.308 48 N HA 0.151 4.948 4.740 0.095 0.000 0.276 48 N C -0.323 175.266 175.510 0.132 0.000 1.533 48 N CA -0.515 52.612 53.050 0.129 0.000 0.878 48 N CB 0.767 39.342 38.487 0.147 0.000 1.566 48 N HN -0.918 7.561 8.380 0.164 0.000 0.546 49 S N -3.767 111.999 115.700 0.109 0.000 2.555 49 S HA -0.244 4.269 4.470 0.072 0.000 0.230 49 S C 0.742 175.374 174.600 0.053 0.000 0.978 49 S CA 2.533 60.778 58.200 0.076 0.000 0.934 49 S CB -0.055 63.178 63.200 0.055 0.000 0.766 49 S HN 0.360 8.731 8.310 0.103 0.000 0.533 50 Q N -0.271 119.573 119.800 0.074 0.000 2.140 50 Q HA 0.347 4.627 4.340 -0.101 0.000 0.227 50 Q C -2.193 173.689 176.000 -0.197 0.000 0.798 50 Q CA -0.443 55.307 55.803 -0.088 0.000 0.987 50 Q CB 2.734 31.390 28.738 -0.137 0.000 1.161 50 Q HN 0.145 8.821 8.270 0.169 -0.305 0.480 51 W N -2.283 119.023 121.300 0.011 0.000 2.915 51 W HA 0.661 5.515 4.660 0.007 -0.190 0.337 51 W C -1.508 175.025 176.519 0.022 0.000 1.102 51 W CA -1.028 56.322 57.345 0.008 0.000 1.224 51 W CB 3.770 33.226 29.460 -0.008 0.000 1.416 51 W HN -0.441 8.007 8.180 0.265 -0.109 0.503 52 V N 0.717 120.794 119.914 0.272 0.000 2.914 52 V HA 0.827 5.225 4.120 0.172 -0.174 0.314 52 V C -1.436 174.772 176.094 0.190 0.000 1.084 52 V CA -1.945 60.464 62.300 0.181 0.000 0.963 52 V CB 4.002 35.890 31.823 0.109 0.000 1.025 52 V HN 0.600 8.965 8.190 0.292 0.000 0.432 53 V N 4.239 124.240 119.914 0.145 0.000 2.604 53 V HA 0.757 5.132 4.120 0.153 -0.163 0.305 53 V C -1.357 174.792 176.094 0.093 0.000 1.043 53 V CA -1.359 61.019 62.300 0.130 0.000 0.888 53 V CB 2.542 34.434 31.823 0.115 0.000 0.995 53 V HN 0.414 8.684 8.190 0.133 0.000 0.429 54 S N 3.888 119.629 115.700 0.067 0.000 2.973 54 S HA 0.575 5.260 4.470 0.028 -0.198 0.317 54 S C -2.056 172.532 174.600 -0.022 0.000 1.196 54 S CA -2.494 55.717 58.200 0.019 0.000 0.894 54 S CB 2.460 65.657 63.200 -0.005 0.000 1.292 54 S HN 0.657 9.016 8.310 0.082 0.000 0.614 55 A N -0.557 122.208 122.820 -0.092 0.000 2.306 55 A HA 0.476 4.891 4.320 -0.111 -0.162 0.314 55 A C 0.661 178.117 177.584 -0.213 0.000 1.164 55 A CA -1.681 50.261 52.037 -0.160 0.000 0.822 55 A CB 1.586 20.433 19.000 -0.255 0.000 1.130 55 A HN 0.276 8.360 8.150 -0.110 0.000 0.496 56 A N 4.652 127.295 122.820 -0.295 0.000 1.978 56 A HA -0.255 3.914 4.320 -0.252 0.000 0.220 56 A C 1.277 178.623 177.584 -0.397 0.000 1.170 56 A CA 2.914 54.660 52.037 -0.485 0.000 0.636 56 A CB -0.402 17.915 19.000 -1.138 0.000 0.810 56 A HN 0.580 8.565 8.150 -0.275 -0.000 0.448 57 H N -5.755 113.153 119.070 -0.270 0.000 2.556 57 H HA -0.036 4.556 4.556 0.059 0.000 0.268 57 H C -0.073 175.305 175.328 0.084 0.000 0.996 57 H CA 0.946 56.999 56.048 0.009 0.000 1.157 57 H CB -1.240 28.599 29.762 0.130 0.000 1.355 57 H HN -0.149 8.294 8.280 -0.201 -0.283 0.597 58 c N -1.044 117.486 118.600 -0.116 0.000 2.906 58 c HA 0.040 4.687 4.570 0.127 0.000 0.274 58 c C -0.818 173.352 174.090 0.133 0.000 1.257 58 c CA -0.662 55.688 56.329 0.035 0.000 1.695 58 c CB -1.334 41.150 42.510 -0.043 0.000 1.958 58 c HN -0.527 7.406 8.230 -0.185 0.186 0.619 59 Y N 2.442 122.746 120.300 0.007 0.000 2.497 59 Y HA -0.184 4.389 4.550 0.038 0.000 0.334 59 Y C -1.436 174.456 175.900 -0.013 0.000 1.199 59 Y CA 1.409 59.517 58.100 0.013 0.000 1.425 59 Y CB 1.050 39.502 38.460 -0.013 0.000 1.291 59 Y HN -0.481 7.717 8.280 0.162 0.180 0.562 60 K N 5.880 125.459 120.400 -1.367 0.000 2.711 60 K HA 0.195 4.014 4.320 -0.835 0.000 0.294 60 K C -2.375 173.700 176.600 -0.876 0.000 1.037 60 K CA -0.896 54.817 56.287 -0.957 0.000 0.858 60 K CB 2.352 34.496 32.500 -0.593 0.000 1.521 60 K HN -0.158 7.224 8.250 -1.447 0.000 0.386 61 S N -0.548 114.871 115.700 -0.468 0.000 2.713 61 S HA 0.138 4.459 4.470 -0.249 0.000 0.283 61 S C 0.680 175.160 174.600 -0.200 0.000 1.161 61 S CA -0.471 57.578 58.200 -0.252 0.000 0.999 61 S CB 1.409 64.548 63.200 -0.100 0.000 1.039 61 S HN -0.192 7.906 8.310 -0.353 0.000 0.548 62 G N -0.141 108.582 108.800 -0.129 0.000 2.289 62 G HA2 -0.246 3.665 3.960 -0.082 0.000 0.280 62 G HA3 -0.246 3.644 3.960 -0.117 0.000 0.280 62 G C -1.844 172.987 174.900 -0.115 0.000 1.089 62 G CA 0.195 45.229 45.100 -0.110 0.000 0.939 62 G HN 0.304 8.535 8.290 -0.098 0.000 0.499 63 I N -1.270 119.246 120.570 -0.089 0.000 2.377 63 I HA 0.175 4.466 4.170 -0.006 -0.125 0.293 63 I C -1.768 174.312 176.117 -0.063 0.000 0.987 63 I CA -1.214 60.061 61.300 -0.041 0.000 1.185 63 I CB 1.493 39.492 38.000 -0.002 0.000 1.341 63 I HN -0.568 7.590 8.210 -0.087 0.000 0.455 64 Q N 6.812 126.558 119.800 -0.089 0.000 3.018 64 Q HA 0.455 4.746 4.340 -0.082 0.000 0.209 64 Q C -1.632 174.282 176.000 -0.144 0.000 1.036 64 Q CA -1.916 53.817 55.803 -0.117 0.000 0.886 64 Q CB 4.203 32.837 28.738 -0.173 0.000 2.058 64 Q HN 0.650 8.868 8.270 -0.087 0.000 0.452 65 R N -2.474 117.971 120.500 -0.092 0.000 2.937 65 R HA 0.410 5.010 4.340 0.170 -0.158 0.273 65 R C -1.427 174.916 176.300 0.073 0.000 1.176 65 R CA 0.014 56.111 56.100 -0.006 0.000 1.132 65 R CB 2.470 32.620 30.300 -0.250 0.000 1.270 65 R HN 0.428 8.621 8.270 -0.130 0.000 0.425 70 E N -0.403 119.894 120.200 0.161 0.000 2.319 70 E HA 0.094 4.522 4.350 0.131 0.000 0.268 70 E C -1.839 174.946 176.600 0.308 0.000 1.050 70 E CA 0.342 56.853 56.400 0.185 0.000 0.878 70 E CB 1.408 31.151 29.700 0.071 0.000 1.066 70 E HN -0.616 7.818 8.360 0.182 0.035 0.406 71 D N 1.064 121.623 120.400 0.265 0.000 2.957 71 D HA 0.066 4.917 4.640 0.352 0.000 0.175 71 D C -1.076 175.425 176.300 0.335 0.000 1.502 71 D CA 1.007 55.177 54.000 0.285 0.000 1.524 71 D CB 2.457 43.341 40.800 0.139 0.000 1.300 71 D HN 0.110 8.585 8.370 0.175 0.000 0.241 72 N N 1.141 119.946 118.700 0.175 0.000 2.401 72 N HA 0.178 5.147 4.740 0.172 -0.126 0.255 72 N C 2.174 177.696 175.510 0.020 0.000 1.110 72 N CA -0.572 52.550 53.050 0.120 0.000 0.949 72 N CB 0.404 38.936 38.487 0.075 0.000 1.110 72 N HN -0.453 8.285 8.380 0.130 -0.280 0.490 73 I N 0.318 120.817 120.570 -0.118 0.000 3.176 73 I HA -0.092 4.072 4.170 -0.265 -0.153 0.275 73 I C -0.300 175.736 176.117 -0.134 0.000 1.298 73 I CA 1.444 62.573 61.300 -0.285 0.000 1.445 73 I CB -0.669 36.936 38.000 -0.657 0.000 1.075 73 I HN 0.596 8.754 8.210 -0.087 0.000 0.482 74 N N -2.302 116.365 118.700 -0.055 0.000 2.236 74 N HA 0.105 4.830 4.740 -0.025 0.000 0.196 74 N C -0.787 174.731 175.510 0.013 0.000 1.114 74 N CA 0.163 53.204 53.050 -0.016 0.000 0.859 74 N CB 1.829 40.317 38.487 0.001 0.000 0.982 74 N HN -0.113 8.514 8.380 -0.033 -0.268 0.493 75 V N 0.243 120.170 119.914 0.023 0.000 2.656 75 V HA 0.047 4.186 4.120 0.032 0.000 0.307 75 V C -1.386 174.733 176.094 0.042 0.000 1.051 75 V CA -1.089 61.231 62.300 0.033 0.000 0.893 75 V CB 3.267 35.108 31.823 0.030 0.000 0.999 75 V HN -0.841 7.405 8.190 0.016 -0.046 0.426 76 V N 7.220 127.155 119.914 0.035 0.000 2.372 76 V HA -0.123 4.257 4.120 0.032 -0.241 0.261 76 V C 0.135 176.229 176.094 -0.000 0.000 1.055 76 V CA 0.427 62.736 62.300 0.014 0.000 0.930 76 V CB -0.175 31.637 31.823 -0.020 0.000 1.031 76 V HN 0.276 8.484 8.190 0.030 0.000 0.479 77 E N 7.946 128.149 120.200 0.005 0.000 2.460 77 E HA 0.123 4.476 4.350 0.004 0.000 0.200 77 E C -0.163 176.432 176.600 -0.008 0.000 1.011 77 E CA -0.309 56.094 56.400 0.005 0.000 0.912 77 E CB 0.664 30.377 29.700 0.021 0.000 0.953 77 E HN 0.189 8.907 8.360 0.013 -0.350 0.494 78 G N -0.214 108.572 108.800 -0.024 0.000 2.484 78 G HA2 -0.210 3.715 3.960 -0.059 0.000 0.685 78 G HA3 -0.210 3.735 3.960 -0.025 0.000 0.685 78 G C -1.859 173.024 174.900 -0.028 0.000 1.294 78 G CA -0.729 44.350 45.100 -0.036 0.000 0.879 78 G HN -0.468 8.013 8.290 -0.029 -0.209 0.646 79 N N -4.093 114.585 118.700 -0.038 0.000 2.980 79 N HA -0.284 4.443 4.740 -0.023 0.000 0.213 79 N C -1.002 174.490 175.510 -0.029 0.000 0.892 79 N CA 1.318 54.355 53.050 -0.022 0.000 1.025 79 N CB -0.230 38.260 38.487 0.004 0.000 1.030 79 N HN 0.142 8.492 8.380 -0.051 0.000 0.585 80 E N -1.049 119.109 120.200 -0.069 0.000 2.366 80 E HA 0.173 4.760 4.350 0.016 -0.227 0.266 80 E C -0.114 176.391 176.600 -0.159 0.000 1.051 80 E CA 0.641 56.988 56.400 -0.088 0.000 0.884 80 E CB 0.535 30.112 29.700 -0.206 0.000 1.006 80 E HN -0.217 7.997 8.360 -0.087 0.094 0.417 81 Q N 1.656 121.430 119.800 -0.044 0.000 2.274 81 Q HA 0.277 4.542 4.340 -0.126 0.000 0.268 81 Q C -1.504 174.603 176.000 0.179 0.000 1.015 81 Q CA -1.174 54.613 55.803 -0.026 0.000 0.775 81 Q CB 3.005 31.754 28.738 0.018 0.000 1.256 81 Q HN 0.274 8.594 8.270 0.083 0.000 0.442 82 F N 3.472 123.402 119.950 -0.033 0.000 2.402 82 F HA 0.462 5.137 4.527 -0.048 -0.177 0.355 82 F C -0.226 175.550 175.800 -0.040 0.000 1.123 82 F CA -2.868 55.106 58.000 -0.042 0.000 1.021 82 F CB 1.123 40.096 39.000 -0.045 0.000 1.160 82 F HN 0.375 8.682 8.300 0.013 0.000 0.451 83 I N 4.057 124.702 120.570 0.125 0.000 2.582 83 I HA 0.249 4.448 4.170 0.048 0.000 0.292 83 I C -1.208 174.911 176.117 0.002 0.000 1.066 83 I CA -1.371 59.956 61.300 0.045 0.000 1.053 83 I CB 3.994 42.005 38.000 0.020 0.000 1.241 83 I HN 0.729 9.000 8.210 0.102 0.000 0.421 84 S N 5.559 121.252 115.700 -0.013 0.000 2.592 84 S HA 0.080 4.525 4.470 -0.042 0.000 0.271 84 S C -0.436 174.131 174.600 -0.055 0.000 1.326 84 S CA 0.718 58.896 58.200 -0.036 0.000 1.024 84 S CB 0.969 64.150 63.200 -0.032 0.000 0.921 84 S HN 0.426 8.733 8.310 -0.005 0.000 0.527 85 A N 3.177 125.961 122.820 -0.060 0.000 2.401 85 A HA 0.165 4.534 4.320 -0.095 -0.106 0.259 85 A C -0.152 177.386 177.584 -0.077 0.000 1.103 85 A CA -0.205 51.788 52.037 -0.074 0.000 0.789 85 A CB 0.558 19.526 19.000 -0.053 0.000 1.035 85 A HN -0.233 7.884 8.150 -0.055 0.000 0.491 86 S N 3.392 119.025 115.700 -0.111 0.000 2.441 86 S HA 0.055 4.484 4.470 -0.069 0.000 0.224 86 S C 0.326 174.884 174.600 -0.070 0.000 1.043 86 S CA 1.462 59.605 58.200 -0.096 0.000 0.948 86 S CB 0.905 64.023 63.200 -0.138 0.000 0.810 86 S HN 0.703 8.805 8.310 -0.159 0.112 0.504 87 K N -0.506 119.846 120.400 -0.080 0.000 2.568 87 K HA 0.278 4.617 4.320 0.031 0.000 0.273 87 K C -2.211 174.414 176.600 0.041 0.000 0.951 87 K CA -0.549 55.736 56.287 -0.002 0.000 0.854 87 K CB 2.971 35.475 32.500 0.007 0.000 1.424 87 K HN -0.721 7.447 8.250 -0.138 0.000 0.427 88 S N 1.128 116.908 115.700 0.133 0.000 2.482 88 S HA 0.762 5.488 4.470 0.171 -0.153 0.303 88 S C -0.726 173.993 174.600 0.198 0.000 1.091 88 S CA -0.544 57.777 58.200 0.201 0.000 1.057 88 S CB 2.263 65.661 63.200 0.330 0.000 1.031 88 S HN 0.197 8.599 8.310 0.154 0.000 0.485 89 I N 6.877 127.576 120.570 0.215 0.000 2.437 89 I HA 0.116 4.371 4.170 0.142 0.000 0.279 89 I C -1.621 174.632 176.117 0.227 0.000 1.028 89 I CA -0.789 60.632 61.300 0.201 0.000 1.142 89 I CB 1.630 39.762 38.000 0.221 0.000 1.266 89 I HN 1.045 9.295 8.210 0.243 0.106 0.461 90 V N 7.602 127.584 119.914 0.113 0.000 2.732 90 V HA -0.151 4.014 4.120 0.074 0.000 0.297 90 V C -0.272 175.900 176.094 0.130 0.000 1.060 90 V CA -0.653 61.683 62.300 0.060 0.000 1.038 90 V CB 0.970 32.736 31.823 -0.094 0.000 1.003 90 V HN 0.332 8.543 8.190 0.034 0.000 0.481 91 H N 8.272 127.322 119.070 -0.032 0.000 3.034 91 H HA -0.014 4.362 4.556 -0.301 0.000 0.324 91 H C -0.411 174.887 175.328 -0.050 0.000 1.015 91 H CA 0.302 56.208 56.048 -0.237 0.000 1.429 91 H CB 1.523 30.994 29.762 -0.484 0.000 1.429 91 H HN -0.269 8.044 8.280 0.055 0.000 0.585 92 P HA -0.105 4.323 4.420 0.012 0.000 0.219 92 P C -0.430 176.918 177.300 0.079 0.000 1.146 92 P CA 1.417 64.488 63.100 -0.049 0.000 0.808 92 P CB 0.310 31.962 31.700 -0.080 0.000 0.779 93 S N -3.747 112.114 115.700 0.268 0.000 2.582 93 S HA 0.048 4.580 4.470 0.103 0.000 0.234 93 S C -0.557 174.149 174.600 0.177 0.000 0.961 93 S CA -0.000 58.326 58.200 0.210 0.000 0.953 93 S CB 0.476 63.794 63.200 0.196 0.000 0.800 93 S HN -0.355 8.234 8.310 0.532 0.040 0.471 94 Y N 3.604 123.955 120.300 0.085 0.000 2.610 94 Y HA -0.309 4.403 4.550 -0.038 -0.185 0.332 94 Y C -0.846 175.048 175.900 -0.009 0.000 1.201 94 Y CA 0.805 58.909 58.100 0.006 0.000 1.465 94 Y CB 0.876 39.344 38.460 0.014 0.000 1.283 94 Y HN -0.705 7.607 8.280 0.339 0.171 0.563 95 N N 7.141 125.468 118.700 -0.622 0.000 2.518 95 N HA 0.218 4.685 4.740 -0.454 0.000 0.254 95 N C -0.142 174.858 175.510 -0.851 0.000 0.979 95 N CA -1.310 51.402 53.050 -0.562 0.000 0.930 95 N CB 1.488 39.807 38.487 -0.280 0.000 1.152 95 N HN -0.291 7.820 8.380 -0.448 0.000 0.505 96 S N 6.805 121.997 115.700 -0.847 0.000 2.500 96 S HA -0.155 3.958 4.470 -0.594 0.000 0.239 96 S C 0.692 175.112 174.600 -0.299 0.000 0.989 96 S CA 2.301 60.183 58.200 -0.530 0.000 0.951 96 S CB -0.250 62.819 63.200 -0.218 0.000 0.759 96 S HN 0.643 8.548 8.310 -0.676 0.000 0.523 97 N N 1.751 120.281 118.700 -0.283 0.000 2.336 97 N HA 0.040 4.659 4.740 -0.201 0.000 0.177 97 N C 1.016 176.372 175.510 -0.257 0.000 1.018 97 N CA 2.204 55.120 53.050 -0.222 0.000 0.878 97 N CB 0.669 39.053 38.487 -0.172 0.000 0.997 97 N HN 0.366 8.780 8.380 -0.314 -0.223 0.433 98 T N -3.931 110.467 114.554 -0.259 0.000 3.014 98 T HA 0.079 4.240 4.350 -0.314 0.000 0.250 98 T C 0.213 174.735 174.700 -0.296 0.000 1.060 98 T CA 0.380 62.320 62.100 -0.266 0.000 1.040 98 T CB 1.725 70.490 68.868 -0.173 0.000 0.971 98 T HN -0.343 8.017 8.240 -0.260 -0.276 0.497 99 L N -3.792 117.290 121.223 -0.234 0.000 4.351 99 L HA -0.489 3.962 4.340 0.077 -0.065 0.410 99 L C -1.906 175.001 176.870 0.062 0.000 1.150 99 L CA 0.458 55.267 54.840 -0.053 0.000 0.961 99 L CB -2.563 39.399 42.059 -0.163 0.000 2.130 99 L HN -0.108 7.916 8.230 -0.275 0.041 0.787 100 N N -0.983 117.711 118.700 -0.010 0.000 2.513 100 N HA -0.170 4.621 4.740 0.085 0.000 0.268 100 N C 0.020 175.577 175.510 0.078 0.000 1.180 100 N CA 0.758 53.832 53.050 0.040 0.000 0.948 100 N CB 1.149 39.631 38.487 -0.007 0.000 1.083 100 N HN -0.801 7.469 8.380 -0.102 0.049 0.455 101 N N -0.793 117.945 118.700 0.064 0.000 2.783 101 N HA -0.470 4.193 4.740 -0.129 0.000 0.247 101 N C -1.382 174.100 175.510 -0.047 0.000 1.089 101 N CA 1.358 54.344 53.050 -0.106 0.000 0.690 101 N CB -1.539 36.773 38.487 -0.292 0.000 0.991 101 N HN 0.618 9.061 8.380 0.104 0.000 0.552 102 D N -0.997 119.423 120.400 0.034 0.000 2.608 102 D HA 0.039 4.668 4.640 -0.018 0.000 0.224 102 D C -1.729 174.477 176.300 -0.158 0.000 1.123 102 D CA -0.300 53.712 54.000 0.020 0.000 1.030 102 D CB -0.817 40.096 40.800 0.188 0.000 1.093 102 D HN -0.135 8.273 8.370 0.063 0.000 0.497 103 I N 1.565 121.977 120.570 -0.262 0.000 2.802 103 I HA 0.614 4.863 4.170 -0.136 -0.160 0.298 103 I C -3.031 173.043 176.117 -0.072 0.000 1.176 103 I CA -1.622 59.553 61.300 -0.209 0.000 1.025 103 I CB 4.233 41.970 38.000 -0.437 0.000 1.243 103 I HN -0.072 7.928 8.210 -0.276 0.044 0.424 104 M N 6.282 125.911 119.600 0.049 0.000 2.421 104 M HA 0.689 5.483 4.480 0.237 -0.171 0.287 104 M C -2.764 173.662 176.300 0.211 0.000 1.183 104 M CA -1.016 54.375 55.300 0.152 0.000 0.916 104 M CB 4.789 37.434 32.600 0.074 0.000 1.701 104 M HN 0.366 8.680 8.290 0.040 0.000 0.470 105 L N 3.598 124.984 121.223 0.271 0.000 2.317 105 L HA 0.747 5.399 4.340 0.256 -0.159 0.281 105 L C -1.313 175.750 176.870 0.322 0.000 1.024 105 L CA -1.379 53.634 54.840 0.289 0.000 0.810 105 L CB 2.825 45.030 42.059 0.243 0.000 1.240 105 L HN 0.466 8.881 8.230 0.309 0.000 0.427 106 I N 1.524 122.267 120.570 0.287 0.000 2.433 106 I HA 0.547 4.951 4.170 0.111 -0.167 0.292 106 I C -1.554 174.528 176.117 -0.057 0.000 1.001 106 I CA -1.357 60.014 61.300 0.118 0.000 1.119 106 I CB 2.934 40.970 38.000 0.060 0.000 1.289 106 I HN 0.734 9.129 8.210 0.308 0.000 0.438 107 K N 6.345 126.509 120.400 -0.393 0.000 2.130 107 K HA 0.615 4.239 4.320 -1.399 -0.143 0.268 107 K C -1.159 175.154 176.600 -0.478 0.000 0.983 107 K CA -1.788 53.899 56.287 -1.000 0.000 0.893 107 K CB 3.041 34.795 32.500 -1.243 0.000 1.066 107 K HN 0.710 8.813 8.250 -0.244 0.000 0.450 108 L N 3.774 124.749 121.223 -0.413 0.000 2.399 108 L HA 0.262 4.609 4.340 -0.164 -0.105 0.266 108 L C 1.852 178.607 176.870 -0.192 0.000 1.114 108 L CA -0.295 54.416 54.840 -0.215 0.000 0.804 108 L CB 0.606 42.581 42.059 -0.141 0.000 1.146 108 L HN 0.700 8.508 8.230 -0.534 0.101 0.451 109 K N 2.987 123.313 120.400 -0.122 0.000 2.057 109 K HA -0.339 3.919 4.320 -0.103 0.000 0.207 109 K C -0.614 175.938 176.600 -0.081 0.000 1.049 109 K CA 2.719 58.950 56.287 -0.092 0.000 0.931 109 K CB 0.431 32.895 32.500 -0.059 0.000 0.714 109 K HN 0.688 8.879 8.250 -0.100 0.000 0.440 110 S N -3.136 112.524 115.700 -0.068 0.000 2.632 110 S HA 0.118 4.557 4.470 -0.052 0.000 0.289 110 S C -1.617 172.953 174.600 -0.050 0.000 1.115 110 S CA -0.875 57.295 58.200 -0.050 0.000 0.889 110 S CB 2.851 66.033 63.200 -0.029 0.000 1.116 110 S HN -0.558 7.714 8.310 -0.064 0.000 0.486 111 A N 0.041 122.840 122.820 -0.035 0.000 2.351 111 A HA 0.009 4.448 4.320 -0.034 -0.139 0.257 111 A C -0.493 177.088 177.584 -0.006 0.000 1.087 111 A CA -0.264 51.760 52.037 -0.021 0.000 0.798 111 A CB 0.827 19.825 19.000 -0.004 0.000 1.033 111 A HN 0.122 8.255 8.150 -0.029 0.000 0.488 112 A N 0.560 123.384 122.820 0.007 0.000 2.304 112 A HA 0.182 4.586 4.320 0.011 -0.077 0.271 112 A C -0.550 177.045 177.584 0.018 0.000 1.091 112 A CA -1.200 50.847 52.037 0.017 0.000 0.812 112 A CB 1.331 20.350 19.000 0.031 0.000 1.056 112 A HN 0.399 8.443 8.150 0.011 0.112 0.489 113 S N 0.390 116.099 115.700 0.015 0.000 2.452 113 S HA 0.104 4.583 4.470 0.014 0.000 0.284 113 S C -0.621 173.992 174.600 0.022 0.000 1.171 113 S CA -0.416 57.792 58.200 0.014 0.000 1.064 113 S CB 0.678 63.881 63.200 0.005 0.000 0.967 113 S HN 0.072 8.749 8.310 0.012 -0.359 0.484 114 L N 5.608 126.847 121.223 0.027 0.000 2.357 114 L HA 0.249 4.727 4.340 0.039 -0.114 0.273 114 L C -0.599 176.289 176.870 0.029 0.000 1.080 114 L CA -0.418 54.443 54.840 0.035 0.000 0.803 114 L CB 0.864 42.948 42.059 0.043 0.000 1.174 114 L HN 0.221 8.466 8.230 0.026 0.000 0.443 115 N N 2.826 121.545 118.700 0.031 0.000 3.635 115 N HA 0.220 4.974 4.740 0.024 0.000 0.347 115 N C -1.345 174.183 175.510 0.030 0.000 1.596 115 N CA -0.483 52.582 53.050 0.025 0.000 0.778 115 N CB 0.738 39.236 38.487 0.018 0.000 2.436 115 N HN 0.509 8.801 8.380 0.037 0.110 0.569 116 S N -2.844 112.872 115.700 0.026 0.000 2.478 116 S HA -0.087 4.404 4.470 0.034 0.000 0.222 116 S C 0.695 175.310 174.600 0.026 0.000 1.008 116 S CA 1.815 60.032 58.200 0.028 0.000 0.928 116 S CB 0.378 63.591 63.200 0.022 0.000 0.781 116 S HN 0.019 8.341 8.310 0.021 0.000 0.518 117 R N -0.647 119.866 120.500 0.022 0.000 2.223 117 R HA 0.125 4.473 4.340 0.013 0.000 0.198 117 R C -1.133 175.182 176.300 0.025 0.000 0.984 117 R CA 0.216 56.327 56.100 0.019 0.000 1.018 117 R CB 1.053 31.363 30.300 0.017 0.000 0.945 117 R HN 0.016 8.566 8.270 0.021 -0.267 0.479 118 V N -1.591 118.343 119.914 0.035 0.000 2.447 118 V HA 0.259 4.583 4.120 0.048 -0.175 0.292 118 V C -2.203 173.928 176.094 0.062 0.000 1.021 118 V CA -1.013 61.316 62.300 0.048 0.000 0.850 118 V CB 2.528 34.377 31.823 0.044 0.000 1.005 118 V HN -0.334 8.108 8.190 0.033 -0.232 0.426 119 A N 6.424 129.297 122.820 0.088 0.000 2.587 119 A HA 0.513 4.883 4.320 0.084 0.000 0.293 119 A C -2.863 174.811 177.584 0.150 0.000 1.087 119 A CA -0.989 51.111 52.037 0.105 0.000 0.692 119 A CB 3.315 22.379 19.000 0.106 0.000 1.291 119 A HN 0.296 8.393 8.150 0.096 0.110 0.407 120 S N -1.598 114.176 115.700 0.124 0.000 2.693 120 S HA 0.536 5.244 4.470 0.163 -0.140 0.276 120 S C -0.682 173.974 174.600 0.092 0.000 1.192 120 S CA -0.754 57.521 58.200 0.125 0.000 0.994 120 S CB 1.651 64.905 63.200 0.089 0.000 1.012 120 S HN -0.017 8.350 8.310 0.096 0.000 0.550 121 I N 0.347 120.927 120.570 0.017 0.000 2.648 121 I HA 0.261 4.367 4.170 -0.107 0.000 0.304 121 I C -1.166 174.902 176.117 -0.081 0.000 1.009 121 I CA -1.621 59.596 61.300 -0.138 0.000 1.114 121 I CB 4.089 41.789 38.000 -0.500 0.000 1.293 121 I HN 0.046 8.280 8.210 0.039 0.000 0.449 122 S N 5.545 121.196 115.700 -0.082 0.000 2.586 122 S HA 0.249 4.704 4.470 -0.026 0.000 0.274 122 S C -0.652 173.921 174.600 -0.045 0.000 1.281 122 S CA -0.425 57.748 58.200 -0.045 0.000 1.035 122 S CB 0.881 64.060 63.200 -0.035 0.000 0.962 122 S HN 0.269 8.517 8.310 -0.104 0.000 0.512 123 L N 2.693 123.904 121.223 -0.020 0.000 2.418 123 L HA 0.155 4.496 4.340 0.001 0.000 0.265 123 L C -1.244 175.623 176.870 -0.004 0.000 1.143 123 L CA -1.819 53.020 54.840 -0.002 0.000 0.809 123 L CB 0.153 42.219 42.059 0.011 0.000 1.124 123 L HN 0.247 8.468 8.230 -0.015 0.000 0.456 124 P HA 0.133 4.543 4.420 -0.016 0.000 0.276 124 P C -1.285 176.015 177.300 0.000 0.000 1.252 124 P CA -0.763 62.335 63.100 -0.004 0.000 0.802 124 P CB 0.820 32.517 31.700 -0.005 0.000 1.035 128 c N 0.657 119.234 118.600 -0.038 0.000 2.520 128 c HA 0.088 4.627 4.570 -0.053 0.000 0.376 128 c C -0.042 173.992 174.090 -0.094 0.000 1.268 128 c CA -0.642 55.651 56.329 -0.060 0.000 2.414 128 c CB 0.521 43.001 42.510 -0.050 0.000 2.521 128 c HN -0.034 8.175 8.230 -0.034 0.000 0.618 129 A N 0.809 123.537 122.820 -0.153 0.000 2.279 129 A HA 0.105 4.352 4.320 -0.121 0.000 0.303 129 A C -0.944 176.536 177.584 -0.174 0.000 1.108 129 A CA -0.416 51.520 52.037 -0.169 0.000 0.830 129 A CB 1.289 20.152 19.000 -0.228 0.000 1.106 129 A HN 0.207 8.241 8.150 -0.193 0.000 0.493 133 G N 1.055 109.809 108.800 -0.076 0.000 2.284 133 G HA2 -0.311 3.610 3.960 -0.065 0.000 0.247 133 G HA3 -0.311 3.617 3.960 -0.053 0.000 0.247 133 G C 0.222 175.078 174.900 -0.073 0.000 1.012 133 G CA 0.088 45.148 45.100 -0.066 0.000 0.618 133 G HN 0.783 8.920 8.290 -0.081 0.105 0.521 134 T N 3.670 118.168 114.554 -0.092 0.000 2.902 134 T HA -0.190 4.118 4.350 -0.070 0.000 0.301 134 T C -0.998 173.650 174.700 -0.087 0.000 1.012 134 T CA 2.370 64.416 62.100 -0.091 0.000 1.151 134 T CB 0.730 69.525 68.868 -0.121 0.000 0.946 134 T HN -0.380 7.706 8.240 -0.106 0.089 0.542 135 Q N 5.890 125.655 119.800 -0.059 0.000 2.267 135 Q HA 0.130 4.439 4.340 -0.053 0.000 0.255 135 Q C -0.920 175.057 176.000 -0.038 0.000 0.923 135 Q CA 0.389 56.168 55.803 -0.040 0.000 0.925 135 Q CB 1.420 30.151 28.738 -0.011 0.000 1.195 135 Q HN 0.180 8.420 8.270 -0.049 0.000 0.417 136 c N 3.114 121.694 118.600 -0.034 0.000 2.971 136 c HA 0.582 5.240 4.570 -0.021 -0.100 0.310 136 c C -1.856 172.238 174.090 0.007 0.000 1.285 136 c CA -1.566 54.747 56.329 -0.027 0.000 1.593 136 c CB 4.244 46.716 42.510 -0.064 0.000 2.076 136 c HN 0.745 8.845 8.230 -0.035 0.110 0.472 137 L N 0.952 122.188 121.223 0.022 0.000 2.313 137 L HA 0.829 5.376 4.340 0.054 -0.175 0.283 137 L C -2.142 174.745 176.870 0.028 0.000 1.013 137 L CA -1.334 53.534 54.840 0.046 0.000 0.816 137 L CB 3.050 45.158 42.059 0.082 0.000 1.236 137 L HN 0.750 8.882 8.230 0.016 0.108 0.419 138 I N 7.555 128.128 120.570 0.004 0.000 2.474 138 I HA 0.843 5.256 4.170 0.023 -0.229 0.294 138 I C -1.304 174.785 176.117 -0.046 0.000 1.005 138 I CA -1.495 59.806 61.300 0.002 0.000 1.113 138 I CB 2.447 40.453 38.000 0.011 0.000 1.289 138 I HN 0.874 9.087 8.210 0.004 0.000 0.436 139 S N 2.864 118.529 115.700 -0.060 0.000 2.595 139 S HA 1.040 5.539 4.470 -0.226 -0.164 0.281 139 S C -1.089 173.391 174.600 -0.199 0.000 1.117 139 S CA -1.882 56.206 58.200 -0.187 0.000 0.873 139 S CB 3.723 66.779 63.200 -0.241 0.000 1.108 139 S HN -0.170 8.137 8.310 -0.006 0.000 0.477 140 G N -1.154 107.436 108.800 -0.350 0.000 2.325 140 G HA2 0.147 3.879 3.960 -0.380 0.000 0.297 140 G HA3 0.147 4.218 3.960 -0.061 -0.147 0.297 140 G C -2.155 172.537 174.900 -0.347 0.000 1.448 140 G CA 0.516 45.441 45.100 -0.293 0.000 0.838 140 G HN 0.356 8.380 8.290 -0.444 0.000 0.579 141 W N 1.355 122.602 121.300 -0.090 0.000 3.151 141 W HA 0.366 4.975 4.660 -0.085 0.000 0.424 141 W C -0.230 176.321 176.519 0.054 0.000 1.012 141 W CA -0.928 56.331 57.345 -0.145 0.000 2.018 141 W CB -0.027 29.127 29.460 -0.510 0.000 1.087 141 W HN 0.600 8.932 8.180 0.254 0.000 0.740 142 G N 0.716 109.689 108.800 0.289 0.000 2.580 142 G HA2 -0.024 4.304 3.960 0.583 0.000 0.278 142 G HA3 -0.024 4.274 3.960 0.307 -0.153 0.278 142 G C -0.932 174.126 174.900 0.263 0.000 1.212 142 G CA -0.918 44.413 45.100 0.385 0.000 0.939 142 G HN -0.474 8.070 8.290 0.174 -0.149 0.513 143 N N -0.314 118.469 118.700 0.138 0.000 2.292 143 N HA -0.342 4.116 4.740 -0.738 -0.160 0.242 143 N C 0.833 176.263 175.510 -0.133 0.000 1.243 143 N CA 1.301 54.156 53.050 -0.325 0.000 0.851 143 N CB 0.701 38.977 38.487 -0.351 0.000 1.093 143 N HN 0.219 8.819 8.380 0.366 0.000 0.450 144 T N -0.110 114.351 114.554 -0.155 0.000 3.092 144 T HA 0.181 4.653 4.350 -0.048 -0.151 0.258 144 T C -0.489 174.171 174.700 -0.068 0.000 1.031 144 T CA 0.165 62.220 62.100 -0.076 0.000 0.925 144 T CB 1.429 70.264 68.868 -0.055 0.000 1.036 144 T HN 0.101 8.198 8.240 -0.240 0.000 0.544 145 K N 1.377 121.723 120.400 -0.090 0.000 2.316 145 K HA 0.306 4.603 4.320 -0.040 0.000 0.251 145 K C -0.419 176.157 176.600 -0.040 0.000 0.934 145 K CA -1.116 55.136 56.287 -0.058 0.000 0.802 145 K CB 3.124 35.585 32.500 -0.065 0.000 1.171 145 K HN -0.642 7.737 8.250 -0.139 -0.212 0.426 146 S N -0.106 115.584 115.700 -0.016 0.000 2.503 146 S HA -0.068 4.406 4.470 0.007 0.000 0.217 146 S C -0.108 174.494 174.600 0.004 0.000 0.999 146 S CA 1.024 59.226 58.200 0.002 0.000 0.914 146 S CB 1.031 64.238 63.200 0.012 0.000 0.782 146 S HN 0.144 8.445 8.310 -0.014 0.000 0.520 147 S N 0.814 116.511 115.700 -0.005 0.000 2.399 147 S HA 0.194 4.669 4.470 0.008 0.000 0.215 147 S C -0.850 173.745 174.600 -0.008 0.000 1.456 147 S CA -0.177 58.023 58.200 0.000 0.000 1.199 147 S CB 0.202 63.404 63.200 0.003 0.000 1.063 147 S HN -0.482 7.777 8.310 -0.012 0.044 0.476 148 G N 1.569 110.363 108.800 -0.009 0.000 2.440 148 G HA2 -0.203 3.758 3.960 0.002 0.000 0.684 148 G HA3 -0.203 3.748 3.960 -0.015 0.000 0.684 148 G C -2.610 172.261 174.900 -0.048 0.000 1.309 148 G CA -0.823 44.268 45.100 -0.014 0.000 0.931 148 G HN -0.258 8.030 8.290 -0.003 0.000 0.612 149 T N -3.478 111.045 114.554 -0.051 0.000 2.779 149 T HA 0.093 4.418 4.350 -0.279 -0.142 0.280 149 T C -1.296 173.282 174.700 -0.203 0.000 0.987 149 T CA -1.470 60.532 62.100 -0.163 0.000 0.966 149 T CB 1.724 70.607 68.868 0.025 0.000 0.933 149 T HN -0.171 8.061 8.240 -0.013 0.000 0.442 150 S N 4.469 119.947 115.700 -0.370 0.000 2.721 150 S HA 0.212 4.641 4.470 -0.069 0.000 0.264 150 S C -1.965 172.453 174.600 -0.303 0.000 1.161 150 S CA -0.489 57.597 58.200 -0.190 0.000 1.113 150 S CB 0.906 64.042 63.200 -0.107 0.000 1.079 150 S HN 0.711 9.095 8.310 -0.565 -0.413 0.479 151 Y N 5.555 125.893 120.300 0.063 0.000 2.323 151 Y HA 0.126 4.729 4.550 0.088 0.000 0.331 151 Y C -0.943 175.003 175.900 0.078 0.000 1.092 151 Y CA -2.442 55.708 58.100 0.083 0.000 1.150 151 Y CB 0.805 39.325 38.460 0.101 0.000 1.200 151 Y HN 0.014 8.390 8.280 0.161 0.000 0.472 152 P HA 0.144 4.640 4.420 0.126 0.000 0.280 152 P C -1.340 176.086 177.300 0.211 0.000 1.272 152 P CA -1.186 62.015 63.100 0.168 0.000 0.819 152 P CB 1.726 33.496 31.700 0.117 0.000 1.122 153 D N -1.906 118.595 120.400 0.168 0.000 2.262 153 D HA -0.007 4.702 4.640 0.116 0.000 0.212 153 D C -0.643 175.812 176.300 0.258 0.000 0.964 153 D CA 1.736 55.828 54.000 0.152 0.000 0.875 153 D CB 1.028 41.886 40.800 0.095 0.000 0.996 153 D HN 0.409 8.858 8.370 0.132 0.000 0.497 154 V N -7.471 112.587 119.914 0.239 0.000 2.966 154 V HA 0.625 5.145 4.120 0.395 -0.163 0.317 154 V C -0.702 175.441 176.094 0.081 0.000 1.070 154 V CA -2.692 59.757 62.300 0.249 0.000 1.008 154 V CB 1.915 33.803 31.823 0.108 0.000 1.070 154 V HN -0.933 7.355 8.190 0.164 0.000 0.457 155 L N 1.450 122.581 121.223 -0.153 0.000 2.455 155 L HA -0.032 3.470 4.340 -1.396 0.000 0.272 155 L C -0.352 176.254 176.870 -0.440 0.000 1.174 155 L CA 0.707 55.108 54.840 -0.731 0.000 0.869 155 L CB 0.586 42.204 42.059 -0.736 0.000 1.130 155 L HN -0.150 8.291 8.230 0.043 -0.185 0.474 156 K N 5.740 125.862 120.400 -0.463 0.000 2.156 156 K HA 0.630 4.915 4.320 -0.313 -0.153 0.250 156 K C -1.153 175.197 176.600 -0.415 0.000 0.955 156 K CA -2.525 53.556 56.287 -0.344 0.000 0.855 156 K CB 2.381 34.744 32.500 -0.229 0.000 1.101 156 K HN -0.221 7.677 8.250 -0.588 0.000 0.434 157 c N -0.378 117.880 118.600 -0.569 0.000 2.707 157 c HA 0.948 5.455 4.570 -0.401 -0.177 0.313 157 c C -1.801 171.894 174.090 -0.658 0.000 1.209 157 c CA -0.711 55.219 56.329 -0.664 0.000 1.635 157 c CB 3.501 45.475 42.510 -0.892 0.000 2.206 157 c HN 0.700 8.531 8.230 -0.665 0.000 0.485 158 L N 0.536 121.594 121.223 -0.276 0.000 2.493 158 L HA 0.386 4.751 4.340 0.042 0.000 0.265 158 L C -2.472 174.460 176.870 0.104 0.000 0.954 158 L CA 0.126 54.953 54.840 -0.020 0.000 0.844 158 L CB 4.450 46.526 42.059 0.027 0.000 1.302 158 L HN 0.732 8.844 8.230 -0.195 0.000 0.405 159 K N 5.952 126.481 120.400 0.215 0.000 2.183 159 K HA 0.817 5.419 4.320 0.128 -0.205 0.274 159 K C -0.923 175.807 176.600 0.217 0.000 1.009 159 K CA -1.340 55.057 56.287 0.184 0.000 0.888 159 K CB 1.117 33.733 32.500 0.193 0.000 1.078 159 K HN 0.334 8.748 8.250 0.274 0.000 0.459 160 A N 4.117 126.999 122.820 0.103 0.000 2.520 160 A HA 0.574 4.886 4.320 -0.013 0.000 0.298 160 A C -3.398 174.116 177.584 -0.117 0.000 1.051 160 A CA -2.580 49.454 52.037 -0.006 0.000 0.690 160 A CB 3.046 22.055 19.000 0.015 0.000 1.281 160 A HN 0.947 9.021 8.150 0.049 0.105 0.402 161 P HA 0.714 5.279 4.420 -0.115 -0.214 0.284 161 P C -1.003 176.217 177.300 -0.132 0.000 1.258 161 P CA -1.456 61.548 63.100 -0.160 0.000 0.824 161 P CB 1.488 33.090 31.700 -0.163 0.000 1.038 162 I N 0.283 120.786 120.570 -0.113 0.000 2.529 162 I HA -0.070 4.227 4.170 0.026 -0.111 0.284 162 I C 0.107 176.196 176.117 -0.047 0.000 1.082 162 I CA 0.725 61.977 61.300 -0.080 0.000 1.406 162 I CB 0.307 38.163 38.000 -0.241 0.000 1.405 162 I HN 0.072 8.206 8.210 -0.127 0.000 0.548 163 L N 6.382 127.617 121.223 0.021 0.000 2.400 163 L HA 0.268 4.593 4.340 -0.025 0.000 0.264 163 L C -0.468 176.413 176.870 0.019 0.000 1.061 163 L CA -1.098 53.747 54.840 0.008 0.000 0.799 163 L CB 0.843 42.920 42.059 0.030 0.000 1.240 163 L HN 0.343 8.532 8.230 0.104 0.104 0.461 164 S N -1.347 114.358 115.700 0.010 0.000 2.593 164 S HA -0.013 4.459 4.470 0.003 0.000 0.269 164 S C 0.323 174.944 174.600 0.036 0.000 1.334 164 S CA -0.643 57.564 58.200 0.012 0.000 1.015 164 S CB 1.304 64.506 63.200 0.004 0.000 0.912 164 S HN -0.013 8.298 8.310 0.002 0.000 0.541 165 D N 2.018 122.440 120.400 0.038 0.000 2.144 165 D HA -0.248 4.439 4.640 0.079 0.000 0.199 165 D C 1.544 177.873 176.300 0.049 0.000 0.984 165 D CA 3.746 57.780 54.000 0.056 0.000 0.834 165 D CB -0.418 40.410 40.800 0.048 0.000 0.955 165 D HN 0.596 8.981 8.370 0.024 0.000 0.465 166 S N -1.357 114.363 115.700 0.032 0.000 2.368 166 S HA -0.296 4.193 4.470 0.031 0.000 0.225 166 S C 2.142 176.757 174.600 0.025 0.000 1.030 166 S CA 3.331 61.547 58.200 0.026 0.000 0.999 166 S CB -0.808 62.401 63.200 0.016 0.000 0.844 166 S HN 0.076 8.396 8.310 0.025 0.005 0.459 167 S N 3.809 119.522 115.700 0.021 0.000 2.383 167 S HA -0.230 4.241 4.470 0.001 0.000 0.227 167 S C 1.822 176.434 174.600 0.020 0.000 1.026 167 S CA 4.104 62.310 58.200 0.011 0.000 0.981 167 S CB -0.123 63.081 63.200 0.007 0.000 0.818 167 S HN -0.525 7.797 8.310 0.021 0.000 0.472 168 c N 3.663 122.296 118.600 0.054 0.000 2.436 168 c HA -0.317 4.313 4.570 0.101 0.000 0.277 168 c C 1.695 175.855 174.090 0.117 0.000 1.241 168 c CA 2.939 59.329 56.329 0.102 0.000 1.721 168 c CB -1.698 40.890 42.510 0.129 0.000 2.043 168 c HN -0.078 8.186 8.230 0.056 0.000 0.472 169 K N -1.160 119.300 120.400 0.099 0.000 2.147 169 K HA -0.335 4.074 4.320 0.148 0.000 0.205 169 K C 2.553 179.190 176.600 0.062 0.000 1.049 169 K CA 2.946 59.293 56.287 0.101 0.000 0.936 169 K CB -0.320 32.227 32.500 0.078 0.000 0.722 169 K HN 0.091 8.392 8.250 0.085 0.000 0.446 170 S N -1.217 114.497 115.700 0.025 0.000 2.383 170 S HA -0.214 4.260 4.470 0.006 0.000 0.227 170 S C 1.352 175.921 174.600 -0.051 0.000 1.026 170 S CA 2.626 60.823 58.200 -0.005 0.000 0.981 170 S CB 0.041 63.234 63.200 -0.012 0.000 0.818 170 S HN -0.437 7.783 8.310 0.027 0.106 0.472 171 A N -0.029 122.727 122.820 -0.107 0.000 1.929 171 A HA -0.097 4.065 4.320 -0.264 0.000 0.216 171 A C 0.010 177.320 177.584 -0.457 0.000 1.176 171 A CA 2.051 53.893 52.037 -0.325 0.000 0.628 171 A CB 0.903 19.628 19.000 -0.459 0.000 0.816 171 A HN -0.487 7.520 8.150 -0.061 0.106 0.444 172 Y N -5.449 114.893 120.300 0.069 0.000 2.553 172 Y HA 0.464 5.090 4.550 0.126 0.000 0.369 172 Y C -2.399 173.564 175.900 0.105 0.000 0.964 172 Y CA -3.731 54.444 58.100 0.124 0.000 1.156 172 Y CB -0.379 38.207 38.460 0.209 0.000 1.218 172 Y HN -0.380 7.925 8.280 0.043 0.000 0.630 173 P HA -0.050 4.547 4.420 0.110 -0.110 0.264 173 P C 0.731 178.101 177.300 0.116 0.000 1.193 173 P CA 1.146 64.314 63.100 0.112 0.000 0.763 173 P CB 0.168 31.906 31.700 0.064 0.000 0.810 174 G N 3.714 112.574 108.800 0.099 0.000 2.205 174 G HA2 -0.370 3.625 3.960 0.058 0.000 0.261 174 G HA3 -0.370 3.624 3.960 0.056 0.000 0.261 174 G C 0.099 175.048 174.900 0.082 0.000 0.980 174 G CA 0.624 45.768 45.100 0.073 0.000 0.632 174 G HN 0.335 8.683 8.290 0.096 0.000 0.533 175 Q N -1.807 118.079 119.800 0.143 0.000 2.217 175 Q HA 0.085 4.454 4.340 0.048 0.000 0.217 175 Q C -0.514 175.613 176.000 0.213 0.000 0.844 175 Q CA -0.386 55.500 55.803 0.140 0.000 0.957 175 Q CB 1.375 30.216 28.738 0.171 0.000 1.127 175 Q HN -0.345 7.961 8.270 0.191 0.079 0.503 176 I N 0.383 121.079 120.570 0.210 0.000 2.331 176 I HA 0.027 4.349 4.170 0.254 0.000 0.292 176 I C -0.349 175.848 176.117 0.133 0.000 0.998 176 I CA -2.075 59.345 61.300 0.199 0.000 1.267 176 I CB -0.754 37.358 38.000 0.187 0.000 1.386 176 I HN -0.415 7.907 8.210 0.187 0.000 0.476 177 T N 2.419 117.047 114.554 0.124 0.000 2.893 177 T HA 0.363 4.753 4.350 0.067 0.000 0.279 177 T C 0.819 175.568 174.700 0.083 0.000 0.991 177 T CA -2.016 60.134 62.100 0.083 0.000 0.950 177 T CB 2.101 71.010 68.868 0.067 0.000 1.223 177 T HN -0.418 7.912 8.240 0.151 0.000 0.585 178 S N -2.525 113.209 115.700 0.057 0.000 2.607 178 S HA -0.155 4.353 4.470 0.064 0.000 0.224 178 S C -0.108 174.529 174.600 0.061 0.000 0.969 178 S CA 1.542 59.772 58.200 0.050 0.000 0.927 178 S CB -0.204 63.006 63.200 0.018 0.000 0.772 178 S HN 0.241 8.575 8.310 0.040 0.000 0.533 179 N N 0.221 118.971 118.700 0.084 0.000 2.238 179 N HA 0.148 4.947 4.740 0.098 0.000 0.222 179 N C -1.865 173.756 175.510 0.185 0.000 1.133 179 N CA -0.432 52.696 53.050 0.130 0.000 0.854 179 N CB 1.011 39.598 38.487 0.166 0.000 1.041 179 N HN -0.499 7.850 8.380 0.084 0.082 0.510 180 M N -1.047 118.649 119.600 0.161 0.000 2.619 180 M HA 0.868 5.608 4.480 0.075 -0.215 0.297 180 M C -2.350 174.057 176.300 0.179 0.000 1.229 180 M CA -0.395 54.975 55.300 0.118 0.000 0.860 180 M CB 5.140 37.799 32.600 0.099 0.000 1.741 180 M HN -0.843 7.449 8.290 0.145 0.085 0.462 181 F N -6.219 113.778 119.950 0.079 0.000 2.645 181 F HA 0.605 5.166 4.527 0.056 0.000 0.310 181 F C -2.751 173.103 175.800 0.089 0.000 1.102 181 F CA -1.640 56.403 58.000 0.071 0.000 0.952 181 F CB 2.408 41.446 39.000 0.064 0.000 1.326 181 F HN -0.030 8.129 8.300 -0.235 0.000 0.456 182 c N 0.049 118.835 118.600 0.311 0.000 2.397 182 c HA 0.972 5.793 4.570 0.101 -0.190 0.343 182 c C -1.069 173.235 174.090 0.358 0.000 1.188 182 c CA -0.864 55.596 56.329 0.218 0.000 1.992 182 c CB 2.726 45.324 42.510 0.147 0.000 2.358 182 c HN 0.858 9.290 8.230 0.337 0.000 0.518 183 A N 2.645 125.660 122.820 0.326 0.000 2.476 183 A HA 0.656 5.182 4.320 0.102 -0.145 0.280 183 A C -2.341 175.314 177.584 0.119 0.000 1.081 183 A CA -0.329 51.813 52.037 0.175 0.000 0.753 183 A CB 2.632 21.654 19.000 0.038 0.000 1.248 183 A HN 0.406 8.776 8.150 0.367 0.000 0.424 184 Y N 2.893 123.228 120.300 0.058 0.000 2.404 184 Y HA 0.143 4.714 4.550 0.035 0.000 0.344 184 Y C 0.838 176.756 175.900 0.030 0.000 0.970 184 Y CA -0.638 57.485 58.100 0.039 0.000 1.180 184 Y CB 0.572 39.053 38.460 0.035 0.000 1.138 184 Y HN 0.163 8.601 8.280 0.263 0.000 0.510 185 L N 3.809 125.102 121.223 0.117 0.000 2.353 185 L HA -0.337 4.033 4.340 0.052 0.000 0.220 185 L C 1.015 177.929 176.870 0.074 0.000 1.133 185 L CA 2.245 57.126 54.840 0.068 0.000 0.798 185 L CB -0.445 41.633 42.059 0.032 0.000 0.922 185 L HN 0.534 8.812 8.230 0.080 0.000 0.445 186 E N -2.245 118.018 120.200 0.105 0.000 2.427 186 E HA -0.088 4.291 4.350 0.048 0.000 0.196 186 E C 0.829 177.464 176.600 0.059 0.000 1.028 186 E CA 0.090 56.532 56.400 0.069 0.000 0.864 186 E CB -0.372 29.366 29.700 0.064 0.000 0.813 186 E HN 0.044 8.446 8.360 0.155 0.051 0.514 187 G N 0.950 109.801 108.800 0.084 0.000 3.391 187 G HA2 -0.369 3.679 3.960 0.078 0.000 0.683 187 G HA3 -0.369 3.616 3.960 0.042 0.000 0.683 187 G C -0.892 174.027 174.900 0.031 0.000 1.071 187 G CA -0.170 44.967 45.100 0.061 0.000 0.904 187 G HN -0.431 7.774 8.290 0.129 0.163 0.452 188 K N 1.301 121.690 120.400 -0.019 0.000 7.219 188 K HA -0.602 3.954 4.320 -0.007 -0.240 0.683 188 K C -1.372 175.310 176.600 0.137 0.000 2.548 188 K CA 0.443 56.730 56.287 0.001 0.000 1.868 188 K CB -0.042 32.346 32.500 -0.187 0.000 1.932 188 K HN 0.149 8.412 8.250 0.021 0.000 0.297 189 D N 0.277 120.750 120.400 0.121 0.000 2.755 189 D HA 0.285 5.050 4.640 0.208 0.000 0.277 189 D C -1.890 174.482 176.300 0.120 0.000 1.261 189 D CA -0.566 53.524 54.000 0.151 0.000 0.759 189 D CB 4.282 45.154 40.800 0.120 0.000 1.279 189 D HN -0.028 8.389 8.370 0.079 0.000 0.420 190 S N -1.492 114.292 115.700 0.141 0.000 2.681 190 S HA 0.278 4.808 4.470 0.100 0.000 0.270 190 S C -1.337 173.315 174.600 0.086 0.000 1.209 190 S CA -0.341 57.932 58.200 0.122 0.000 0.988 190 S CB 1.597 64.908 63.200 0.186 0.000 1.006 190 S HN 0.256 8.668 8.310 0.170 0.000 0.558 191 c N -1.546 117.110 118.600 0.095 0.000 3.292 191 c HA 0.262 4.882 4.570 0.084 0.000 0.369 191 c C -1.549 172.632 174.090 0.151 0.000 1.664 191 c CA -0.682 55.706 56.329 0.098 0.000 1.204 191 c CB 2.871 45.424 42.510 0.072 0.000 1.978 191 c HN 0.335 8.942 8.230 0.110 -0.311 0.435 192 Q N 1.921 121.826 119.800 0.175 0.000 2.283 192 Q HA -0.356 4.116 4.340 0.221 0.000 0.301 192 Q C 0.862 177.072 176.000 0.350 0.000 1.063 192 Q CA 2.224 58.175 55.803 0.247 0.000 0.952 192 Q CB 0.484 29.375 28.738 0.254 0.000 1.166 192 Q HN 0.470 8.824 8.270 0.140 0.000 0.381 193 G N 6.143 115.133 108.800 0.316 0.000 2.254 193 G HA2 -0.410 3.722 3.960 0.286 0.000 0.225 193 G HA3 -0.410 3.847 3.960 0.494 0.000 0.225 193 G C 0.629 175.757 174.900 0.380 0.000 1.003 193 G CA 1.004 46.331 45.100 0.379 0.000 0.622 193 G HN 0.887 9.335 8.290 0.264 0.000 0.507 194 D N 1.665 122.227 120.400 0.270 0.000 2.327 194 D HA 0.083 4.861 4.640 0.230 0.000 0.205 194 D C 0.251 176.650 176.300 0.164 0.000 0.989 194 D CA 1.072 55.196 54.000 0.207 0.000 0.873 194 D CB 0.716 41.609 40.800 0.155 0.000 0.955 194 D HN 0.048 8.473 8.370 0.249 0.095 0.515 195 S N -0.296 115.499 115.700 0.158 0.000 2.599 195 S HA -0.626 4.060 4.470 0.128 -0.139 0.303 195 S C 0.889 175.500 174.600 0.018 0.000 1.267 195 S CA 2.839 61.106 58.200 0.113 0.000 1.055 195 S CB 0.165 63.474 63.200 0.181 0.000 0.790 195 S HN -0.477 7.946 8.310 0.188 0.000 0.500 196 G N 4.993 113.787 108.800 -0.010 0.000 2.284 196 G HA2 -0.461 3.553 3.960 -0.049 0.000 0.247 196 G HA3 -0.461 3.565 3.960 -0.071 -0.109 0.247 196 G C -0.062 174.865 174.900 0.046 0.000 1.012 196 G CA 0.161 45.244 45.100 -0.029 0.000 0.618 196 G HN 0.814 9.014 8.290 0.018 0.101 0.521 197 G N 1.127 109.981 108.800 0.089 0.000 2.588 197 G HA2 0.364 4.465 3.960 0.119 0.000 0.278 197 G HA3 0.364 4.397 3.960 0.121 0.000 0.278 197 G C -2.687 172.295 174.900 0.136 0.000 1.307 197 G CA -1.827 43.344 45.100 0.118 0.000 1.016 197 G HN -0.134 8.047 8.290 0.096 0.168 0.503 198 P HA 0.320 4.931 4.420 0.128 -0.114 0.286 198 P C -1.686 175.681 177.300 0.112 0.000 1.261 198 P CA -0.930 62.261 63.100 0.152 0.000 0.821 198 P CB 1.522 33.373 31.700 0.251 0.000 1.013 199 V N 3.136 123.095 119.914 0.075 0.000 2.380 199 V HA 0.240 4.500 4.120 -0.013 -0.148 0.286 199 V C -1.348 174.756 176.094 0.016 0.000 1.015 199 V CA -0.465 61.841 62.300 0.010 0.000 0.834 199 V CB 1.709 33.516 31.823 -0.027 0.000 1.009 199 V HN -0.177 8.062 8.190 0.082 0.000 0.428 200 V N 8.159 128.074 119.914 0.002 0.000 2.459 200 V HA 0.638 4.902 4.120 -0.068 -0.185 0.295 200 V C -1.392 174.682 176.094 -0.033 0.000 1.029 200 V CA -1.303 60.971 62.300 -0.044 0.000 0.874 200 V CB 2.980 34.756 31.823 -0.078 0.000 0.985 200 V HN 0.574 8.778 8.190 0.024 0.000 0.438 201 c N 7.279 125.847 118.600 -0.053 0.000 2.482 201 c HA 0.576 5.122 4.570 -0.039 0.000 0.317 201 c C 0.145 174.205 174.090 -0.050 0.000 1.197 201 c CA -1.187 55.109 56.329 -0.054 0.000 1.432 201 c CB 2.362 44.820 42.510 -0.087 0.000 2.062 201 c HN 0.819 9.010 8.230 -0.064 0.000 0.471 202 S N 5.099 120.778 115.700 -0.035 0.000 3.549 202 S HA -0.348 4.110 4.470 -0.019 0.000 0.366 202 S C 0.319 174.900 174.600 -0.032 0.000 1.012 202 S CA 0.999 59.181 58.200 -0.029 0.000 1.141 202 S CB -1.261 61.917 63.200 -0.035 0.000 0.910 202 S HN 1.118 9.412 8.310 -0.027 0.000 0.471 203 G N -5.125 103.654 108.800 -0.034 0.000 2.168 203 G HA2 -0.354 3.574 3.960 -0.053 0.000 0.257 203 G HA3 -0.354 3.587 3.960 -0.032 0.000 0.257 203 G C -0.797 174.054 174.900 -0.081 0.000 0.997 203 G CA 0.485 45.556 45.100 -0.050 0.000 0.708 203 G HN 0.287 8.544 8.290 -0.027 0.016 0.520 210 Q N 1.074 120.895 119.800 0.036 0.000 2.392 210 Q HA 0.209 4.592 4.340 0.072 0.000 0.219 210 Q C -0.223 175.943 176.000 0.277 0.000 0.895 210 Q CA 0.097 55.948 55.803 0.081 0.000 0.929 210 Q CB 2.756 31.466 28.738 -0.046 0.000 1.077 210 Q HN 0.347 8.627 8.270 0.017 0.000 0.532 211 G N -3.021 105.952 108.800 0.288 0.000 2.694 211 G HA2 0.602 5.040 3.960 0.384 0.000 0.290 211 G HA3 0.602 4.806 3.960 0.408 0.000 0.290 211 G C -3.242 171.773 174.900 0.192 0.000 1.386 211 G CA -0.650 44.655 45.100 0.341 0.000 0.872 211 G HN -0.416 7.979 8.290 0.175 0.000 0.475 212 I N -1.249 119.427 120.570 0.176 0.000 2.499 212 I HA 0.582 5.069 4.170 0.151 -0.226 0.288 212 I C -0.393 175.843 176.117 0.198 0.000 1.048 212 I CA -1.394 59.996 61.300 0.150 0.000 1.062 212 I CB 4.361 42.409 38.000 0.081 0.000 1.238 212 I HN -0.395 7.985 8.210 0.149 -0.080 0.426 213 V N 7.562 127.610 119.914 0.224 0.000 2.493 213 V HA -0.216 3.952 4.120 0.080 0.000 0.292 213 V C -1.123 174.985 176.094 0.022 0.000 1.016 213 V CA 2.199 64.581 62.300 0.137 0.000 1.097 213 V CB -1.055 30.872 31.823 0.172 0.000 0.947 213 V HN 0.381 8.689 8.190 0.197 0.000 0.479 214 S N 7.475 123.100 115.700 -0.126 0.000 3.142 214 S HA 0.273 4.938 4.470 0.325 0.000 0.223 214 S C -0.902 173.816 174.600 0.196 0.000 0.939 214 S CA 0.892 59.170 58.200 0.131 0.000 0.826 214 S CB 2.717 65.991 63.200 0.123 0.000 0.823 214 S HN -0.049 7.977 8.310 -0.472 0.000 0.612 215 W N -4.673 116.480 121.300 -0.244 0.000 2.962 215 W HA 0.263 4.829 4.660 -0.157 0.000 0.405 215 W C -2.804 173.551 176.519 -0.274 0.000 1.121 215 W CA -0.796 56.412 57.345 -0.227 0.000 1.164 215 W CB 0.458 29.776 29.460 -0.238 0.000 1.489 215 W HN -0.381 7.455 8.180 -0.574 0.000 0.599 216 G N -3.348 105.506 108.800 0.091 0.000 2.349 216 G HA2 0.108 3.776 3.960 -0.487 0.000 0.294 216 G HA3 0.108 3.999 3.960 -0.116 0.000 0.294 216 G C -2.058 172.959 174.900 0.195 0.000 1.380 216 G CA 0.126 45.169 45.100 -0.095 0.000 0.811 216 G HN -0.039 8.487 8.290 0.392 0.000 0.519 220 c N 2.016 120.655 118.600 0.065 0.000 3.359 220 c HA 0.307 5.057 4.570 0.065 -0.140 0.194 220 c C -1.477 172.646 174.090 0.055 0.000 1.659 220 c CA -0.813 55.552 56.329 0.059 0.000 1.338 220 c CB -1.384 41.155 42.510 0.048 0.000 2.109 220 c HN 0.333 8.597 8.230 0.057 0.000 0.518 221 Q N -2.002 117.834 119.800 0.060 0.000 2.889 221 Q HA 0.149 4.512 4.340 0.038 0.000 0.262 221 Q C -1.567 174.459 176.000 0.043 0.000 0.966 221 Q CA -0.755 55.076 55.803 0.047 0.000 0.858 221 Q CB 2.156 30.924 28.738 0.051 0.000 1.845 221 Q HN -0.138 8.175 8.270 0.071 0.000 0.464 222 K N 3.867 124.285 120.400 0.031 0.000 2.436 222 K HA -0.267 4.193 4.320 0.036 -0.119 0.275 222 K C 0.208 176.811 176.600 0.005 0.000 0.999 222 K CA 0.724 57.025 56.287 0.024 0.000 0.980 222 K CB 0.034 32.544 32.500 0.017 0.000 0.919 222 K HN 0.249 8.515 8.250 0.027 0.000 0.484 223 N N 1.543 120.241 118.700 -0.004 0.000 2.732 223 N HA -0.484 4.230 4.740 -0.043 0.000 0.250 223 N C -1.596 173.845 175.510 -0.114 0.000 1.097 223 N CA 1.835 54.855 53.050 -0.051 0.000 0.812 223 N CB -0.429 38.023 38.487 -0.058 0.000 1.148 223 N HN 0.742 9.007 8.380 0.014 0.124 0.572 224 K N -2.114 118.251 120.400 -0.059 0.000 2.679 224 K HA 0.547 4.676 4.320 -0.318 0.000 0.188 224 K C -2.352 174.304 176.600 0.095 0.000 1.055 224 K CA -3.492 52.763 56.287 -0.053 0.000 1.006 224 K CB -0.052 32.481 32.500 0.056 0.000 1.317 224 K HN -0.781 7.404 8.250 -0.002 0.063 0.584 225 P HA -0.027 4.463 4.420 0.115 0.000 0.275 225 P C -0.662 176.697 177.300 0.098 0.000 1.266 225 P CA -0.480 62.694 63.100 0.122 0.000 0.793 225 P CB 1.217 32.976 31.700 0.098 0.000 1.074 226 G N -2.584 106.238 108.800 0.036 0.000 2.476 226 G HA2 0.346 4.103 3.960 -0.338 0.000 0.269 226 G HA3 0.346 4.167 3.960 -0.232 0.000 0.269 226 G C -1.799 172.784 174.900 -0.528 0.000 1.195 226 G CA -0.813 44.127 45.100 -0.265 0.000 0.843 226 G HN -0.392 7.983 8.290 0.140 0.000 0.545 227 V N 1.402 120.663 119.914 -1.088 0.000 2.555 227 V HA 0.605 4.486 4.120 -0.664 -0.160 0.302 227 V C -0.945 174.398 176.094 -1.252 0.000 1.038 227 V CA -0.988 60.637 62.300 -1.125 0.000 0.887 227 V CB 2.445 33.118 31.823 -1.916 0.000 0.991 227 V HN 0.395 7.888 8.190 -1.162 0.000 0.434 228 Y N 4.388 124.277 120.300 -0.684 0.000 2.536 228 Y HA 0.591 5.056 4.550 -0.380 -0.143 0.347 228 Y C 0.149 175.753 175.900 -0.493 0.000 1.000 228 Y CA -2.215 55.494 58.100 -0.652 0.000 1.051 228 Y CB 4.033 41.835 38.460 -1.096 0.000 1.259 228 Y HN 0.887 8.793 8.280 -0.623 0.000 0.468 229 T N 4.178 118.684 114.554 -0.080 0.000 2.832 229 T HA 0.092 4.651 4.350 0.088 -0.156 0.296 229 T C -0.755 174.052 174.700 0.179 0.000 0.968 229 T CA 1.146 63.285 62.100 0.065 0.000 1.107 229 T CB 0.681 69.580 68.868 0.051 0.000 0.916 229 T HN 0.452 8.681 8.240 -0.019 0.000 0.517 230 K N 8.254 128.845 120.400 0.317 0.000 2.127 230 K HA 0.100 4.813 4.320 0.655 0.000 0.261 230 K C 0.948 177.791 176.600 0.405 0.000 1.129 230 K CA -0.536 56.020 56.287 0.448 0.000 0.993 230 K CB -0.360 32.358 32.500 0.364 0.000 1.410 230 K HN 0.246 8.567 8.250 0.294 0.104 0.380 231 V N 6.074 126.210 119.914 0.370 0.000 2.380 231 V HA -0.542 3.859 4.120 0.469 0.000 0.251 231 V C 1.431 177.686 176.094 0.269 0.000 1.063 231 V CA 3.985 66.491 62.300 0.343 0.000 1.055 231 V CB -0.280 31.677 31.823 0.224 0.000 0.657 231 V HN 0.170 8.586 8.190 0.377 0.000 0.455 232 c N -3.285 115.412 118.600 0.163 0.000 2.409 232 c HA -0.233 4.384 4.570 0.078 0.000 0.284 232 c C 1.704 175.813 174.090 0.033 0.000 1.354 232 c CA 1.798 58.175 56.329 0.079 0.000 1.787 232 c CB -2.059 40.470 42.510 0.032 0.000 1.900 232 c HN 0.489 8.818 8.230 0.164 0.000 0.520 233 N N 0.082 118.765 118.700 -0.028 0.000 2.467 233 N HA -0.079 4.564 4.740 -0.162 0.000 0.184 233 N C -0.061 175.207 175.510 -0.403 0.000 1.106 233 N CA 1.081 53.973 53.050 -0.263 0.000 0.892 233 N CB -0.218 37.983 38.487 -0.477 0.000 0.969 233 N HN -0.354 8.019 8.380 0.054 0.039 0.454 234 Y N -4.833 115.532 120.300 0.109 0.000 2.531 234 Y HA 0.113 4.791 4.550 0.213 0.000 0.249 234 Y C 0.225 176.254 175.900 0.215 0.000 1.168 234 Y CA -0.247 57.969 58.100 0.195 0.000 1.226 234 Y CB -0.059 38.533 38.460 0.220 0.000 1.177 234 Y HN -0.120 8.080 8.280 0.182 0.189 0.527 235 V N 0.900 120.949 119.914 0.225 0.000 2.332 235 V HA -0.568 3.647 4.120 0.158 0.000 0.248 235 V C 1.319 177.487 176.094 0.123 0.000 1.055 235 V CA 4.887 67.278 62.300 0.150 0.000 1.038 235 V CB -0.541 31.331 31.823 0.083 0.000 0.651 235 V HN -0.831 7.453 8.190 0.158 0.000 0.450 236 S N -0.100 115.676 115.700 0.126 0.000 2.383 236 S HA -0.309 4.187 4.470 0.042 0.000 0.227 236 S C 1.595 176.275 174.600 0.133 0.000 1.026 236 S CA 3.585 61.841 58.200 0.094 0.000 0.981 236 S CB -0.473 62.778 63.200 0.085 0.000 0.818 236 S HN 0.105 8.488 8.310 0.122 0.000 0.472 237 W N 4.239 125.579 121.300 0.067 0.000 2.355 237 W HA -0.160 4.528 4.660 0.046 0.000 0.309 237 W C 1.449 177.982 176.519 0.023 0.000 1.206 237 W CA 3.155 60.549 57.345 0.081 0.000 1.284 237 W CB -0.049 29.543 29.460 0.220 0.000 1.145 237 W HN -0.420 8.004 8.180 0.406 0.000 0.502 238 I N -1.059 119.525 120.570 0.023 0.000 2.127 238 I HA -0.773 3.017 4.170 -0.634 0.000 0.241 238 I C 1.923 177.816 176.117 -0.374 0.000 1.075 238 I CA 4.600 65.730 61.300 -0.283 0.000 1.334 238 I CB -0.266 37.721 38.000 -0.023 0.000 1.040 238 I HN 0.213 8.639 8.210 0.360 0.000 0.405 239 K N -1.119 119.160 120.400 -0.202 0.000 2.032 239 K HA -0.430 3.747 4.320 -0.239 0.000 0.209 239 K C 2.822 179.278 176.600 -0.240 0.000 1.048 239 K CA 3.770 59.936 56.287 -0.202 0.000 0.927 239 K CB -0.350 32.090 32.500 -0.101 0.000 0.712 239 K HN -0.184 8.014 8.250 -0.087 0.000 0.441 240 Q N -2.082 117.588 119.800 -0.216 0.000 2.079 240 Q HA -0.285 3.966 4.340 -0.148 0.000 0.200 240 Q C 2.623 178.440 176.000 -0.305 0.000 0.974 240 Q CA 3.359 59.044 55.803 -0.198 0.000 0.840 240 Q CB 0.079 28.747 28.738 -0.117 0.000 0.898 240 Q HN 0.275 8.334 8.270 -0.171 0.108 0.430 241 T N 2.731 116.974 114.554 -0.519 0.000 2.674 241 T HA -0.283 3.827 4.350 -0.401 0.000 0.265 241 T C 2.222 176.600 174.700 -0.536 0.000 1.039 241 T CA 4.886 66.636 62.100 -0.584 0.000 1.150 241 T CB -0.143 68.107 68.868 -1.030 0.000 0.864 241 T HN 0.111 7.862 8.240 -0.636 0.108 0.427 242 I N 0.729 120.866 120.570 -0.722 0.000 2.208 242 I HA -0.490 2.940 4.170 -1.232 0.000 0.245 242 I C 1.883 177.787 176.117 -0.354 0.000 1.097 242 I CA 3.842 64.623 61.300 -0.865 0.000 1.363 242 I CB -0.418 36.984 38.000 -0.998 0.000 1.051 242 I HN 0.065 7.835 8.210 -0.734 0.000 0.413 243 A N -1.235 121.424 122.820 -0.268 0.000 2.019 243 A HA -0.187 4.078 4.320 -0.093 0.000 0.219 243 A C 1.007 178.546 177.584 -0.075 0.000 1.164 243 A CA 2.680 54.639 52.037 -0.130 0.000 0.644 243 A CB -0.504 18.428 19.000 -0.114 0.000 0.805 243 A HN -0.067 7.890 8.150 -0.315 0.004 0.449 244 S N -4.405 111.242 115.700 -0.089 0.000 2.557 244 S HA 0.115 4.574 4.470 -0.018 0.000 0.223 244 S C -0.980 173.628 174.600 0.012 0.000 0.969 244 S CA 0.568 58.746 58.200 -0.035 0.000 0.927 244 S CB 1.008 64.178 63.200 -0.051 0.000 0.806 244 S HN -0.421 7.664 8.310 -0.153 0.133 0.489 245 N N 0.000 118.737 118.700 0.061 0.000 1.763 245 N HA 0.000 4.811 4.740 0.119 0.000 0.220 245 N CA 0.000 53.157 53.050 0.178 0.000 0.885 245 N CB 0.000 38.666 38.487 0.297 0.000 1.341 245 N HN 0.000 8.341 8.380 0.032 0.059 0.667