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 1bty_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 4.172 4.170 0.004 0.000 0.288 16 I C 0.000 176.098 176.117 -0.032 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.029 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.071 0.000 1.214 17 V N 5.261 125.172 119.914 -0.006 0.000 2.435 17 V HA 0.248 4.486 4.120 -0.023 -0.131 0.290 17 V C 0.479 176.577 176.094 0.007 0.000 1.030 17 V CA -1.657 60.639 62.300 -0.007 0.000 0.881 17 V CB 1.317 33.142 31.823 0.003 0.000 0.983 17 V HN 0.937 9.031 8.190 0.018 0.107 0.445 18 G N 7.091 115.890 108.800 -0.002 0.000 2.176 18 G HA2 -0.397 3.561 3.960 -0.003 0.000 0.252 18 G HA3 -0.397 3.701 3.960 -0.011 -0.145 0.252 18 G C -0.696 174.220 174.900 0.027 0.000 1.024 18 G CA 0.490 45.591 45.100 0.000 0.000 0.755 18 G HN 0.791 9.075 8.290 -0.010 0.000 0.507 19 G N -1.223 107.591 108.800 0.023 0.000 2.702 19 G HA2 0.526 4.544 3.960 0.127 0.000 0.254 19 G HA3 0.526 4.550 3.960 -0.059 -0.099 0.254 19 G C -1.736 173.224 174.900 0.100 0.000 1.380 19 G CA -1.037 44.087 45.100 0.041 0.000 1.042 19 G HN -0.630 7.632 8.290 -0.002 0.027 0.557 20 Y N -6.160 114.122 120.300 -0.029 0.000 2.638 20 Y HA 0.401 4.935 4.550 -0.027 0.000 0.339 20 Y C -1.820 174.055 175.900 -0.041 0.000 1.084 20 Y CA -2.901 55.181 58.100 -0.030 0.000 1.068 20 Y CB 1.076 39.521 38.460 -0.024 0.000 1.294 20 Y HN 0.393 8.314 8.280 -0.423 0.105 0.480 21 T N 2.792 117.378 114.554 0.053 0.000 2.779 21 T HA 0.114 4.517 4.350 -0.123 -0.126 0.296 21 T C 0.017 174.709 174.700 -0.013 0.000 0.938 21 T CA 1.204 63.284 62.100 -0.033 0.000 1.119 21 T CB -0.125 68.759 68.868 0.027 0.000 0.891 21 T HN 0.108 8.445 8.240 0.162 0.000 0.526 22 c N 6.636 125.132 118.600 -0.173 0.000 2.413 22 c HA -0.186 4.338 4.570 -0.077 0.000 0.276 22 c C 0.378 174.478 174.090 0.015 0.000 1.236 22 c CA 1.146 57.408 56.329 -0.111 0.000 1.735 22 c CB -0.327 42.059 42.510 -0.206 0.000 2.031 22 c HN 0.314 8.396 8.230 -0.247 0.000 0.474 23 G N -2.755 106.037 108.800 -0.013 0.000 2.697 23 G HA2 -0.241 3.730 3.960 0.019 0.000 0.684 23 G HA3 -0.241 3.734 3.960 0.026 0.000 0.684 23 G C -2.009 172.887 174.900 -0.007 0.000 1.274 23 G CA -0.718 44.389 45.100 0.011 0.000 0.806 23 G HN -0.519 7.742 8.290 -0.048 0.000 0.644 24 A N 3.798 126.623 122.820 0.009 0.000 2.566 24 A HA -0.228 4.254 4.320 0.022 -0.149 0.245 24 A C -0.566 177.020 177.584 0.003 0.000 1.056 24 A CA 1.018 53.064 52.037 0.015 0.000 0.757 24 A CB 0.095 19.111 19.000 0.027 0.000 0.979 24 A HN 0.350 8.510 8.150 0.017 0.000 0.508 25 N N -2.828 115.871 118.700 -0.003 0.000 2.708 25 N HA -0.400 4.324 4.740 -0.026 0.000 0.249 25 N C 0.434 175.919 175.510 -0.042 0.000 1.097 25 N CA 1.614 54.652 53.050 -0.019 0.000 0.710 25 N CB -1.051 37.437 38.487 0.001 0.000 1.032 25 N HN 0.485 8.871 8.380 0.010 0.000 0.551 26 T N -4.507 110.012 114.554 -0.057 0.000 3.100 26 T HA -0.069 4.265 4.350 -0.026 0.000 0.253 26 T C -0.729 173.907 174.700 -0.106 0.000 1.118 26 T CA 1.083 63.153 62.100 -0.049 0.000 1.058 26 T CB 0.559 69.417 68.868 -0.018 0.000 0.953 26 T HN -0.411 7.763 8.240 -0.061 0.030 0.515 27 V N 2.888 122.676 119.914 -0.210 0.000 2.320 27 V HA 0.457 4.295 4.120 -0.470 0.000 0.257 27 V C -1.062 174.687 176.094 -0.575 0.000 0.996 27 V CA -3.782 58.235 62.300 -0.472 0.000 0.928 27 V CB 0.504 32.043 31.823 -0.474 0.000 1.169 27 V HN -0.293 7.723 8.190 -0.178 0.067 0.475 28 P HA 0.088 4.540 4.420 -0.114 -0.100 0.226 28 P C 0.347 177.582 177.300 -0.109 0.000 1.153 28 P CA 1.591 64.595 63.100 -0.160 0.000 0.777 28 P CB -0.054 31.635 31.700 -0.018 0.000 0.794 29 Y N -5.832 114.492 120.300 0.041 0.000 2.466 29 Y HA 0.487 5.200 4.550 0.057 -0.129 0.272 29 Y C -0.597 175.341 175.900 0.062 0.000 1.169 29 Y CA -3.603 54.528 58.100 0.051 0.000 1.285 29 Y CB -1.501 36.985 38.460 0.043 0.000 1.078 29 Y HN -0.436 7.172 8.280 -1.023 0.058 0.523 30 Q N 2.876 122.559 119.800 -0.194 0.000 2.304 30 Q HA 0.170 4.696 4.340 0.108 -0.121 0.260 30 Q C -0.368 175.722 176.000 0.150 0.000 0.965 30 Q CA 0.045 55.840 55.803 -0.013 0.000 0.898 30 Q CB 1.017 29.637 28.738 -0.197 0.000 1.196 30 Q HN -0.509 7.313 8.270 -0.467 0.168 0.402 31 V N 1.487 121.529 119.914 0.212 0.000 3.046 31 V HA 0.842 5.205 4.120 0.212 -0.115 0.316 31 V C -1.990 174.271 176.094 0.279 0.000 1.104 31 V CA -3.456 58.969 62.300 0.209 0.000 1.006 31 V CB 3.747 35.643 31.823 0.121 0.000 1.058 31 V HN 0.202 8.514 8.190 0.202 0.000 0.440 32 S N 0.510 116.286 115.700 0.127 0.000 2.473 32 S HA 0.445 5.167 4.470 0.241 -0.108 0.307 32 S C -1.205 173.310 174.600 -0.141 0.000 1.094 32 S CA -1.939 56.280 58.200 0.033 0.000 1.070 32 S CB 1.803 64.805 63.200 -0.329 0.000 1.019 32 S HN 0.332 8.679 8.310 0.062 0.000 0.480 33 L N 7.188 128.203 121.223 -0.346 0.000 2.264 33 L HA 0.508 4.794 4.340 -0.300 -0.127 0.289 33 L C -1.587 174.903 176.870 -0.633 0.000 1.044 33 L CA -0.784 53.734 54.840 -0.537 0.000 0.807 33 L CB 0.599 42.119 42.059 -0.899 0.000 1.192 33 L HN 0.846 8.836 8.230 -0.400 0.000 0.425 38 G N -0.061 108.504 108.800 -0.392 0.000 2.238 38 G HA2 -0.274 3.614 3.960 -0.120 0.000 0.217 38 G HA3 -0.274 3.638 3.960 -0.080 0.000 0.217 38 G C -1.854 173.008 174.900 -0.063 0.000 0.996 38 G CA 0.230 45.223 45.100 -0.179 0.000 0.632 38 G HN 0.181 8.575 8.290 -0.323 -0.297 0.503 39 Y N -8.266 112.014 120.300 -0.033 0.000 2.677 39 Y HA 0.153 4.671 4.550 -0.054 0.000 0.334 39 Y C -2.889 173.029 175.900 0.029 0.000 1.196 39 Y CA -3.640 54.446 58.100 -0.023 0.000 1.059 39 Y CB 1.034 39.480 38.460 -0.023 0.000 1.315 39 Y HN -1.224 6.558 8.280 -0.821 0.005 0.455 40 H N 2.895 121.990 119.070 0.041 0.000 2.803 40 H HA 0.111 4.712 4.556 -0.203 -0.166 0.330 40 H C -0.703 174.731 175.328 0.176 0.000 1.057 40 H CA 0.471 56.481 56.048 -0.062 0.000 1.458 40 H CB 0.440 30.106 29.762 -0.159 0.000 1.470 40 H HN 0.221 8.636 8.280 0.225 0.000 0.560 41 F N 2.327 121.912 119.950 -0.607 0.000 2.876 41 F HA 0.324 4.801 4.527 -0.084 0.000 0.344 41 F C -1.560 174.023 175.800 -0.361 0.000 1.029 41 F CA -0.711 57.118 58.000 -0.285 0.000 1.154 41 F CB 1.607 40.573 39.000 -0.056 0.000 1.040 41 F HN 0.116 7.787 8.300 -1.048 0.000 0.576 42 c N -1.482 116.449 118.600 -1.115 0.000 3.312 42 c HA 0.321 4.780 4.570 -0.184 0.000 0.332 42 c C -1.694 172.205 174.090 -0.319 0.000 1.340 42 c CA -0.117 55.895 56.329 -0.528 0.000 1.265 42 c CB 3.953 46.196 42.510 -0.445 0.000 1.563 42 c HN -0.808 6.463 8.230 -1.598 0.000 0.471 43 G N -0.877 107.929 108.800 0.010 0.000 2.583 43 G HA2 0.797 5.079 3.960 0.275 0.000 0.312 43 G HA3 0.797 4.894 3.960 0.229 0.000 0.312 43 G C -2.463 172.467 174.900 0.050 0.000 1.275 43 G CA -1.562 43.637 45.100 0.165 0.000 1.022 43 G HN 0.745 9.047 8.290 0.021 0.000 0.501 44 G N -3.960 104.903 108.800 0.105 0.000 2.495 44 G HA2 0.489 4.764 3.960 0.076 0.000 0.294 44 G HA3 0.489 4.485 3.960 0.059 0.000 0.294 44 G C -2.948 172.039 174.900 0.144 0.000 1.397 44 G CA 0.389 45.542 45.100 0.088 0.000 0.790 44 G HN -0.636 7.752 8.290 0.163 0.000 0.486 45 S N -0.695 115.093 115.700 0.147 0.000 2.521 45 S HA 0.843 5.676 4.470 0.264 -0.205 0.295 45 S C -1.341 173.360 174.600 0.168 0.000 1.098 45 S CA -0.916 57.402 58.200 0.196 0.000 0.999 45 S CB 3.893 67.189 63.200 0.160 0.000 1.034 45 S HN 0.437 8.821 8.310 0.122 0.000 0.483 46 L N 6.108 127.449 121.223 0.196 0.000 2.313 46 L HA 0.182 4.728 4.340 0.148 -0.117 0.282 46 L C -0.555 176.399 176.870 0.140 0.000 1.092 46 L CA -0.130 54.807 54.840 0.162 0.000 0.831 46 L CB 1.010 43.164 42.059 0.159 0.000 1.159 46 L HN 0.372 8.757 8.230 0.258 0.000 0.442 47 I N 0.672 121.319 120.570 0.130 0.000 3.968 47 I HA 0.512 4.871 4.170 0.061 -0.153 0.328 47 I C -1.031 175.140 176.117 0.090 0.000 1.290 47 I CA -0.612 60.740 61.300 0.087 0.000 1.163 47 I CB 0.607 38.645 38.000 0.064 0.000 1.024 47 I HN 0.233 8.538 8.210 0.157 0.000 0.413 48 N N -2.011 116.766 118.700 0.128 0.000 3.355 48 N HA 0.096 4.891 4.740 0.092 0.000 0.238 48 N C -0.306 175.283 175.510 0.132 0.000 1.466 48 N CA -0.413 52.711 53.050 0.123 0.000 0.882 48 N CB 0.352 38.919 38.487 0.134 0.000 1.406 48 N HN -0.933 7.538 8.380 0.153 0.000 0.500 49 S N -2.897 112.867 115.700 0.106 0.000 2.440 49 S HA -0.396 4.115 4.470 0.068 0.000 0.238 49 S C 0.909 175.542 174.600 0.055 0.000 1.010 49 S CA 2.987 61.232 58.200 0.076 0.000 0.972 49 S CB -0.084 63.150 63.200 0.056 0.000 0.774 49 S HN 0.383 8.751 8.310 0.097 0.000 0.501 50 Q N -1.291 118.556 119.800 0.079 0.000 2.164 50 Q HA 0.323 4.605 4.340 -0.098 0.000 0.226 50 Q C -1.883 173.977 176.000 -0.235 0.000 0.813 50 Q CA -0.360 55.393 55.803 -0.084 0.000 0.978 50 Q CB 2.659 31.316 28.738 -0.136 0.000 1.149 50 Q HN -0.113 8.531 8.270 0.173 -0.270 0.489 51 W N -1.573 119.730 121.300 0.005 0.000 2.915 51 W HA 0.620 5.472 4.660 -0.001 -0.193 0.337 51 W C -1.615 174.913 176.519 0.015 0.000 1.102 51 W CA -1.021 56.324 57.345 0.000 0.000 1.224 51 W CB 3.697 33.145 29.460 -0.021 0.000 1.416 51 W HN -0.098 8.395 8.180 0.267 -0.153 0.503 52 V N 1.579 121.655 119.914 0.271 0.000 2.680 52 V HA 0.773 5.173 4.120 0.170 -0.178 0.309 52 V C -1.439 174.766 176.094 0.186 0.000 1.052 52 V CA -1.692 60.716 62.300 0.179 0.000 0.908 52 V CB 3.540 35.428 31.823 0.109 0.000 1.001 52 V HN 0.836 9.197 8.190 0.286 0.000 0.431 53 V N 5.605 125.605 119.914 0.144 0.000 2.581 53 V HA 0.806 5.186 4.120 0.151 -0.170 0.303 53 V C -1.195 174.956 176.094 0.096 0.000 1.041 53 V CA -1.494 60.883 62.300 0.129 0.000 0.907 53 V CB 2.298 34.190 31.823 0.114 0.000 0.994 53 V HN 0.609 8.879 8.190 0.134 0.000 0.442 54 S N 3.001 118.745 115.700 0.074 0.000 2.843 54 S HA 0.551 5.242 4.470 0.034 -0.200 0.301 54 S C -2.018 172.573 174.600 -0.015 0.000 1.206 54 S CA -2.318 55.896 58.200 0.025 0.000 0.875 54 S CB 2.501 65.700 63.200 -0.001 0.000 1.248 54 S HN 0.575 8.940 8.310 0.090 0.000 0.555 55 A N -0.342 122.426 122.820 -0.087 0.000 2.310 55 A HA 0.426 4.844 4.320 -0.100 -0.158 0.299 55 A C 0.524 177.979 177.584 -0.214 0.000 1.147 55 A CA -1.443 50.501 52.037 -0.155 0.000 0.818 55 A CB 1.229 20.067 19.000 -0.269 0.000 1.096 55 A HN 0.388 8.475 8.150 -0.105 0.000 0.495 56 A N 4.961 127.601 122.820 -0.299 0.000 2.019 56 A HA -0.234 3.933 4.320 -0.255 0.000 0.219 56 A C 1.324 178.679 177.584 -0.382 0.000 1.164 56 A CA 2.720 54.460 52.037 -0.494 0.000 0.644 56 A CB -0.308 17.972 19.000 -1.200 0.000 0.805 56 A HN 0.583 8.599 8.150 -0.282 -0.034 0.449 57 H N -4.697 114.234 119.070 -0.231 0.000 2.559 57 H HA -0.069 4.555 4.556 0.114 0.000 0.273 57 H C 0.142 175.537 175.328 0.111 0.000 1.000 57 H CA 1.440 57.514 56.048 0.043 0.000 1.195 57 H CB -1.372 28.472 29.762 0.137 0.000 1.368 57 H HN -0.004 8.450 8.280 -0.164 -0.272 0.592 58 c N -1.638 116.869 118.600 -0.156 0.000 2.697 58 c HA 0.022 4.668 4.570 0.126 0.000 0.267 58 c C 0.349 174.544 174.090 0.174 0.000 1.278 58 c CA 0.088 56.437 56.329 0.034 0.000 1.708 58 c CB -1.633 40.848 42.510 -0.048 0.000 1.860 58 c HN -0.297 7.587 8.230 -0.256 0.193 0.589 59 Y N 2.551 122.863 120.300 0.020 0.000 2.597 59 Y HA -0.231 4.351 4.550 0.054 0.000 0.336 59 Y C -0.942 174.956 175.900 -0.003 0.000 1.216 59 Y CA 1.884 60.000 58.100 0.027 0.000 1.463 59 Y CB 0.961 39.422 38.460 0.003 0.000 1.303 59 Y HN -0.488 7.708 8.280 0.167 0.184 0.576 60 K N 5.457 125.139 120.400 -1.197 0.000 2.711 60 K HA 0.139 3.793 4.320 -1.110 0.000 0.294 60 K C -1.989 174.081 176.600 -0.882 0.000 1.037 60 K CA -0.805 54.867 56.287 -1.026 0.000 0.858 60 K CB 1.818 33.947 32.500 -0.620 0.000 1.521 60 K HN 0.043 7.622 8.250 -1.119 0.000 0.386 61 S N -0.423 114.962 115.700 -0.526 0.000 2.617 61 S HA 0.067 4.392 4.470 -0.241 0.000 0.283 61 S C 0.761 175.235 174.600 -0.209 0.000 1.189 61 S CA 1.083 59.120 58.200 -0.272 0.000 1.036 61 S CB 0.582 63.699 63.200 -0.138 0.000 1.014 61 S HN 0.301 8.346 8.310 -0.442 0.000 0.522 62 G N 1.554 110.272 108.800 -0.137 0.000 2.341 62 G HA2 -0.377 3.530 3.960 -0.089 0.000 0.278 62 G HA3 -0.377 3.507 3.960 -0.128 0.000 0.278 62 G C -1.923 172.906 174.900 -0.118 0.000 1.111 62 G CA -0.153 44.876 45.100 -0.118 0.000 0.982 62 G HN 0.358 8.584 8.290 -0.106 0.000 0.502 63 I N -1.080 119.440 120.570 -0.082 0.000 2.392 63 I HA 0.188 4.489 4.170 0.001 -0.130 0.295 63 I C -1.770 174.318 176.117 -0.048 0.000 0.985 63 I CA -1.062 60.222 61.300 -0.026 0.000 1.221 63 I CB 1.419 39.436 38.000 0.028 0.000 1.366 63 I HN -0.483 7.680 8.210 -0.079 0.000 0.467 64 Q N 6.159 125.919 119.800 -0.067 0.000 3.106 64 Q HA 0.598 4.998 4.340 -0.062 -0.098 0.247 64 Q C -1.712 174.227 176.000 -0.103 0.000 1.033 64 Q CA -2.035 53.715 55.803 -0.089 0.000 0.888 64 Q CB 4.395 33.052 28.738 -0.136 0.000 1.586 64 Q HN 0.579 8.813 8.270 -0.060 0.000 0.482 65 R N -2.349 118.134 120.500 -0.028 0.000 2.937 65 R HA 0.436 5.091 4.340 0.252 -0.164 0.273 65 R C -1.408 174.961 176.300 0.115 0.000 1.176 65 R CA 0.125 56.266 56.100 0.068 0.000 1.132 65 R CB 2.579 32.789 30.300 -0.150 0.000 1.270 65 R HN 0.565 8.796 8.270 -0.066 0.000 0.425 70 E N -0.680 119.621 120.200 0.169 0.000 2.277 70 E HA 0.153 4.589 4.350 0.144 0.000 0.274 70 E C -1.752 175.030 176.600 0.304 0.000 1.022 70 E CA -0.021 56.499 56.400 0.199 0.000 0.853 70 E CB 1.410 31.177 29.700 0.112 0.000 1.086 70 E HN -0.592 7.847 8.360 0.193 0.037 0.397 71 D N 1.826 122.376 120.400 0.250 0.000 3.045 71 D HA 0.077 4.910 4.640 0.322 0.000 0.196 71 D C -1.025 175.466 176.300 0.318 0.000 1.520 71 D CA 0.999 55.157 54.000 0.263 0.000 1.466 71 D CB 2.487 43.363 40.800 0.127 0.000 1.152 71 D HN 0.081 8.554 8.370 0.171 0.000 0.254 72 N N 1.142 119.942 118.700 0.167 0.000 2.401 72 N HA 0.196 5.175 4.740 0.165 -0.139 0.255 72 N C 2.215 177.731 175.510 0.011 0.000 1.110 72 N CA -0.508 52.610 53.050 0.113 0.000 0.949 72 N CB 0.560 39.091 38.487 0.073 0.000 1.110 72 N HN -0.279 8.515 8.380 0.125 -0.339 0.490 73 I N 0.905 121.394 120.570 -0.136 0.000 3.176 73 I HA -0.140 4.032 4.170 -0.258 -0.157 0.275 73 I C -0.551 175.482 176.117 -0.139 0.000 1.298 73 I CA 1.494 62.620 61.300 -0.289 0.000 1.445 73 I CB -0.811 36.789 38.000 -0.666 0.000 1.075 73 I HN 0.378 8.514 8.210 -0.124 0.000 0.482 74 N N -2.583 116.080 118.700 -0.061 0.000 2.205 74 N HA 0.156 4.876 4.740 -0.033 0.000 0.201 74 N C -1.114 174.401 175.510 0.010 0.000 1.128 74 N CA -0.090 52.947 53.050 -0.022 0.000 0.867 74 N CB 2.021 40.504 38.487 -0.006 0.000 0.996 74 N HN -0.135 8.492 8.380 -0.040 -0.271 0.503 75 V N 0.875 120.803 119.914 0.022 0.000 2.577 75 V HA 0.050 4.190 4.120 0.034 0.000 0.303 75 V C -1.357 174.767 176.094 0.051 0.000 1.042 75 V CA -1.656 60.665 62.300 0.036 0.000 0.872 75 V CB 2.830 34.673 31.823 0.032 0.000 0.998 75 V HN -0.761 7.461 8.190 0.015 -0.022 0.423 76 V N 7.242 127.188 119.914 0.054 0.000 2.439 76 V HA -0.232 4.143 4.120 0.072 -0.211 0.271 76 V C 0.281 176.384 176.094 0.016 0.000 1.040 76 V CA 0.753 63.080 62.300 0.045 0.000 1.002 76 V CB -0.183 31.656 31.823 0.027 0.000 1.000 76 V HN 0.277 8.496 8.190 0.047 0.000 0.477 77 E N 6.700 126.908 120.200 0.015 0.000 2.476 77 E HA 0.178 4.534 4.350 0.010 0.000 0.199 77 E C 0.285 176.881 176.600 -0.007 0.000 1.021 77 E CA -0.801 55.605 56.400 0.010 0.000 0.907 77 E CB 0.553 30.268 29.700 0.026 0.000 0.974 77 E HN 0.528 9.372 8.360 0.021 -0.471 0.489 78 G N -0.570 108.213 108.800 -0.029 0.000 2.316 78 G HA2 -0.136 3.790 3.960 -0.057 0.000 0.203 78 G HA3 -0.136 3.808 3.960 -0.027 0.000 0.203 78 G C -0.681 174.189 174.900 -0.049 0.000 0.999 78 G CA 0.028 45.102 45.100 -0.042 0.000 0.649 78 G HN -0.066 8.421 8.290 -0.039 -0.220 0.489 79 N N -0.022 118.656 118.700 -0.035 0.000 2.214 79 N HA 0.127 4.844 4.740 -0.038 0.000 0.214 79 N C -1.238 174.246 175.510 -0.043 0.000 1.132 79 N CA -0.242 52.790 53.050 -0.030 0.000 0.856 79 N CB 0.706 39.192 38.487 -0.001 0.000 1.020 79 N HN 0.223 8.591 8.380 -0.019 0.000 0.509 80 E N 0.013 120.157 120.200 -0.093 0.000 2.373 80 E HA 0.144 4.716 4.350 -0.010 -0.228 0.263 80 E C -0.171 176.282 176.600 -0.244 0.000 1.073 80 E CA 0.333 56.650 56.400 -0.138 0.000 0.894 80 E CB 0.603 30.140 29.700 -0.272 0.000 1.008 80 E HN -0.432 7.795 8.360 -0.108 0.067 0.420 81 Q N 1.203 120.927 119.800 -0.126 0.000 2.292 81 Q HA 0.269 4.495 4.340 -0.190 0.000 0.270 81 Q C -1.475 174.596 176.000 0.120 0.000 1.024 81 Q CA -1.123 54.629 55.803 -0.086 0.000 0.768 81 Q CB 2.703 31.437 28.738 -0.007 0.000 1.250 81 Q HN 0.220 8.506 8.270 0.026 0.000 0.447 82 F N 3.506 123.439 119.950 -0.028 0.000 2.402 82 F HA 0.483 5.171 4.527 -0.041 -0.185 0.355 82 F C -0.156 175.622 175.800 -0.037 0.000 1.123 82 F CA -2.862 55.115 58.000 -0.037 0.000 1.021 82 F CB 1.152 40.127 39.000 -0.041 0.000 1.160 82 F HN 0.354 8.622 8.300 -0.054 0.000 0.451 83 I N 3.644 124.297 120.570 0.139 0.000 2.582 83 I HA 0.313 4.513 4.170 0.049 0.000 0.292 83 I C -1.630 174.492 176.117 0.008 0.000 1.066 83 I CA -1.376 59.954 61.300 0.050 0.000 1.053 83 I CB 4.109 42.121 38.000 0.020 0.000 1.241 83 I HN 0.677 8.965 8.210 0.131 0.000 0.421 84 S N 4.714 120.408 115.700 -0.010 0.000 2.617 84 S HA 0.089 4.644 4.470 -0.038 -0.108 0.269 84 S C -0.584 173.984 174.600 -0.054 0.000 1.292 84 S CA -0.411 57.769 58.200 -0.034 0.000 1.010 84 S CB 1.009 64.190 63.200 -0.033 0.000 0.944 84 S HN 0.330 8.637 8.310 -0.005 0.000 0.536 85 A N 3.429 126.214 122.820 -0.058 0.000 2.327 85 A HA 0.427 4.812 4.320 -0.103 -0.126 0.283 85 A C -0.378 177.158 177.584 -0.079 0.000 1.127 85 A CA -0.635 51.356 52.037 -0.077 0.000 0.810 85 A CB 0.850 19.818 19.000 -0.053 0.000 1.066 85 A HN -0.233 7.886 8.150 -0.052 0.000 0.492 86 S N 2.519 118.151 115.700 -0.113 0.000 2.475 86 S HA 0.111 4.540 4.470 -0.068 0.000 0.224 86 S C 0.382 174.939 174.600 -0.071 0.000 1.042 86 S CA 1.096 59.239 58.200 -0.095 0.000 0.935 86 S CB 1.127 64.249 63.200 -0.128 0.000 0.801 86 S HN 0.784 8.887 8.310 -0.162 0.110 0.509 87 K N -0.425 119.923 120.400 -0.087 0.000 2.587 87 K HA 0.260 4.590 4.320 0.018 0.000 0.276 87 K C -2.489 174.125 176.600 0.024 0.000 0.956 87 K CA -0.207 56.071 56.287 -0.015 0.000 0.857 87 K CB 2.658 35.159 32.500 0.002 0.000 1.431 87 K HN -0.746 7.417 8.250 -0.144 0.000 0.420 88 S N 1.271 117.036 115.700 0.109 0.000 2.513 88 S HA 0.896 5.637 4.470 0.166 -0.171 0.299 88 S C -0.711 174.006 174.600 0.195 0.000 1.087 88 S CA -0.842 57.466 58.200 0.180 0.000 1.012 88 S CB 2.460 65.822 63.200 0.269 0.000 1.044 88 S HN 0.160 8.542 8.310 0.120 0.000 0.485 89 I N 7.026 127.730 120.570 0.224 0.000 2.468 89 I HA 0.183 4.454 4.170 0.167 0.000 0.284 89 I C -1.733 174.543 176.117 0.265 0.000 1.038 89 I CA -0.446 60.989 61.300 0.225 0.000 1.083 89 I CB 2.958 41.105 38.000 0.245 0.000 1.223 89 I HN 0.998 9.356 8.210 0.248 0.000 0.443 90 V N 7.277 127.281 119.914 0.150 0.000 2.607 90 V HA -0.097 4.088 4.120 0.107 0.000 0.289 90 V C -0.436 175.737 176.094 0.132 0.000 1.053 90 V CA -0.912 61.441 62.300 0.088 0.000 0.996 90 V CB 1.048 32.829 31.823 -0.070 0.000 0.995 90 V HN 0.275 8.513 8.190 0.080 0.000 0.476 91 H N 8.022 127.046 119.070 -0.076 0.000 3.094 91 H HA -0.117 4.032 4.556 -0.678 0.000 0.320 91 H C 0.128 175.361 175.328 -0.159 0.000 1.000 91 H CA 0.575 56.382 56.048 -0.402 0.000 1.413 91 H CB 1.617 31.029 29.762 -0.583 0.000 1.405 91 H HN -0.217 8.088 8.280 0.042 0.000 0.586 92 P HA -0.144 4.233 4.420 -0.071 0.000 0.217 92 P C -0.367 176.933 177.300 0.001 0.000 1.148 92 P CA 1.826 64.809 63.100 -0.195 0.000 0.828 92 P CB 0.266 31.826 31.700 -0.234 0.000 0.783 93 S N -2.749 113.083 115.700 0.220 0.000 2.574 93 S HA 0.095 4.622 4.470 0.095 0.000 0.242 93 S C -1.045 173.668 174.600 0.188 0.000 0.982 93 S CA -0.302 58.021 58.200 0.206 0.000 0.977 93 S CB 0.682 63.998 63.200 0.192 0.000 0.814 93 S HN -0.333 8.235 8.310 0.483 0.032 0.464 94 Y N 4.065 124.414 120.300 0.081 0.000 2.620 94 Y HA -0.240 4.465 4.550 -0.036 -0.177 0.330 94 Y C -0.560 175.332 175.900 -0.014 0.000 1.186 94 Y CA 0.938 59.039 58.100 0.001 0.000 1.467 94 Y CB 0.419 38.879 38.460 0.000 0.000 1.262 94 Y HN -0.749 7.656 8.280 0.322 0.068 0.550 95 N N 7.981 126.330 118.700 -0.585 0.000 2.564 95 N HA 0.231 4.689 4.740 -0.470 0.000 0.248 95 N C -0.086 174.911 175.510 -0.855 0.000 0.986 95 N CA -1.209 51.504 53.050 -0.562 0.000 0.921 95 N CB 1.038 39.364 38.487 -0.269 0.000 1.136 95 N HN -0.194 7.971 8.380 -0.357 0.000 0.509 96 S N 6.709 121.853 115.700 -0.928 0.000 2.507 96 S HA -0.098 3.997 4.470 -0.625 0.000 0.235 96 S C 0.837 175.258 174.600 -0.299 0.000 0.988 96 S CA 2.201 60.051 58.200 -0.583 0.000 0.944 96 S CB -0.156 62.879 63.200 -0.275 0.000 0.762 96 S HN 0.742 8.587 8.310 -0.775 0.000 0.526 97 N N 1.461 119.993 118.700 -0.281 0.000 2.290 97 N HA 0.046 4.672 4.740 -0.190 0.000 0.179 97 N C 1.059 176.416 175.510 -0.255 0.000 1.016 97 N CA 2.525 55.446 53.050 -0.215 0.000 0.871 97 N CB 0.606 38.992 38.487 -0.168 0.000 0.987 97 N HN 0.232 8.657 8.380 -0.310 -0.230 0.431 98 T N -4.549 109.847 114.554 -0.263 0.000 3.014 98 T HA 0.085 4.243 4.350 -0.321 0.000 0.250 98 T C 0.267 174.774 174.700 -0.322 0.000 1.060 98 T CA 0.435 62.368 62.100 -0.278 0.000 1.040 98 T CB 1.632 70.392 68.868 -0.179 0.000 0.971 98 T HN -0.555 7.776 8.240 -0.263 -0.249 0.497 99 L N -3.826 117.244 121.223 -0.255 0.000 4.560 99 L HA -0.437 3.995 4.340 0.081 -0.044 0.415 99 L C -1.664 175.237 176.870 0.052 0.000 1.123 99 L CA 0.611 55.405 54.840 -0.077 0.000 0.991 99 L CB -3.030 38.888 42.059 -0.236 0.000 2.127 99 L HN 0.159 8.217 8.230 -0.287 0.000 0.765 100 N N -0.577 118.114 118.700 -0.015 0.000 2.513 100 N HA -0.166 4.628 4.740 0.089 0.000 0.268 100 N C -0.069 175.493 175.510 0.088 0.000 1.180 100 N CA 0.606 53.683 53.050 0.044 0.000 0.948 100 N CB 1.096 39.581 38.487 -0.002 0.000 1.083 100 N HN -0.784 7.482 8.380 -0.106 0.050 0.455 101 N N -0.655 118.092 118.700 0.078 0.000 2.756 101 N HA -0.471 4.203 4.740 -0.109 0.000 0.248 101 N C -1.394 174.082 175.510 -0.057 0.000 1.062 101 N CA 1.351 54.347 53.050 -0.090 0.000 0.696 101 N CB -1.483 36.854 38.487 -0.251 0.000 0.946 101 N HN 0.650 9.097 8.380 0.112 0.000 0.548 102 D N -0.707 119.705 120.400 0.020 0.000 2.551 102 D HA 0.059 4.653 4.640 -0.076 0.000 0.223 102 D C -2.114 174.085 176.300 -0.168 0.000 1.144 102 D CA -0.204 53.797 54.000 0.001 0.000 1.025 102 D CB -0.764 40.150 40.800 0.190 0.000 1.085 102 D HN -0.116 8.287 8.370 0.055 0.000 0.506 103 I N 1.943 122.344 120.570 -0.282 0.000 2.775 103 I HA 0.627 4.893 4.170 -0.132 -0.175 0.295 103 I C -3.137 172.940 176.117 -0.065 0.000 1.287 103 I CA -1.342 59.832 61.300 -0.210 0.000 1.029 103 I CB 3.924 41.672 38.000 -0.419 0.000 1.282 103 I HN -0.192 7.791 8.210 -0.309 0.041 0.426 104 M N 6.399 126.042 119.600 0.072 0.000 2.520 104 M HA 0.695 5.497 4.480 0.331 -0.123 0.283 104 M C -2.892 173.555 176.300 0.244 0.000 1.237 104 M CA -1.028 54.392 55.300 0.200 0.000 0.885 104 M CB 5.024 37.678 32.600 0.089 0.000 1.727 104 M HN 0.612 8.934 8.290 0.053 0.000 0.468 105 L N 2.023 123.420 121.223 0.290 0.000 2.329 105 L HA 0.832 5.495 4.340 0.245 -0.176 0.279 105 L C -1.382 175.673 176.870 0.308 0.000 1.014 105 L CA -1.439 53.565 54.840 0.273 0.000 0.814 105 L CB 3.318 45.478 42.059 0.168 0.000 1.257 105 L HN 0.579 9.013 8.230 0.340 0.000 0.424 106 I N 1.424 122.164 120.570 0.282 0.000 2.418 106 I HA 0.481 4.862 4.170 0.093 -0.155 0.287 106 I C -1.688 174.369 176.117 -0.100 0.000 1.008 106 I CA -1.210 60.153 61.300 0.106 0.000 1.104 106 I CB 2.743 40.781 38.000 0.063 0.000 1.264 106 I HN 0.926 9.326 8.210 0.317 0.000 0.438 107 K N 7.221 127.357 120.400 -0.439 0.000 2.156 107 K HA 0.686 4.342 4.320 -1.391 -0.171 0.271 107 K C -1.174 175.130 176.600 -0.493 0.000 0.995 107 K CA -1.772 53.901 56.287 -1.024 0.000 0.890 107 K CB 2.922 34.623 32.500 -1.330 0.000 1.073 107 K HN 0.754 8.839 8.250 -0.275 0.000 0.454 108 L N 4.974 125.937 121.223 -0.434 0.000 2.375 108 L HA 0.235 4.592 4.340 -0.171 -0.119 0.271 108 L C 1.623 178.372 176.870 -0.202 0.000 1.107 108 L CA -0.179 54.526 54.840 -0.225 0.000 0.806 108 L CB 0.472 42.444 42.059 -0.145 0.000 1.146 108 L HN 0.850 8.632 8.230 -0.567 0.109 0.447 109 K N 2.182 122.505 120.400 -0.128 0.000 2.147 109 K HA -0.311 3.944 4.320 -0.108 0.000 0.205 109 K C -0.226 176.326 176.600 -0.081 0.000 1.049 109 K CA 2.633 58.862 56.287 -0.096 0.000 0.936 109 K CB 0.443 32.906 32.500 -0.062 0.000 0.722 109 K HN 0.395 8.582 8.250 -0.105 0.000 0.446 110 S N -4.631 111.027 115.700 -0.071 0.000 2.618 110 S HA 0.087 4.526 4.470 -0.051 0.000 0.277 110 S C -1.867 172.704 174.600 -0.049 0.000 1.138 110 S CA -0.927 57.242 58.200 -0.051 0.000 0.844 110 S CB 2.114 65.295 63.200 -0.031 0.000 1.127 110 S HN -0.440 7.812 8.310 -0.071 0.015 0.474 111 A N 0.755 123.555 122.820 -0.033 0.000 2.388 111 A HA 0.091 4.554 4.320 -0.027 -0.159 0.257 111 A C -0.683 176.898 177.584 -0.006 0.000 1.095 111 A CA -0.027 52.000 52.037 -0.017 0.000 0.791 111 A CB 0.987 19.987 19.000 -0.001 0.000 1.029 111 A HN 0.180 8.314 8.150 -0.027 0.000 0.489 112 A N 1.537 124.360 122.820 0.005 0.000 2.287 112 A HA 0.205 4.586 4.320 0.006 -0.058 0.273 112 A C -0.503 177.090 177.584 0.014 0.000 1.091 112 A CA -1.197 50.848 52.037 0.013 0.000 0.817 112 A CB 1.313 20.330 19.000 0.027 0.000 1.069 112 A HN 0.289 8.338 8.150 0.008 0.107 0.492 113 S N -0.286 115.420 115.700 0.010 0.000 2.422 113 S HA 0.155 4.632 4.470 0.011 0.000 0.298 113 S C -0.516 174.095 174.600 0.018 0.000 1.118 113 S CA -0.578 57.628 58.200 0.010 0.000 1.083 113 S CB 0.573 63.773 63.200 -0.001 0.000 0.971 113 S HN 0.213 8.913 8.310 0.006 -0.386 0.478 114 L N 6.021 127.259 121.223 0.024 0.000 2.307 114 L HA 0.390 4.896 4.340 0.036 -0.145 0.282 114 L C -0.512 176.373 176.870 0.026 0.000 1.051 114 L CA -0.503 54.356 54.840 0.032 0.000 0.804 114 L CB 0.682 42.766 42.059 0.041 0.000 1.197 114 L HN 0.271 8.515 8.230 0.023 0.000 0.431 115 N N 4.150 122.866 118.700 0.027 0.000 3.662 115 N HA 0.185 4.937 4.740 0.021 0.000 0.343 115 N C -0.839 174.687 175.510 0.027 0.000 1.583 115 N CA -0.261 52.802 53.050 0.022 0.000 0.710 115 N CB 0.481 38.977 38.487 0.014 0.000 2.746 115 N HN 0.509 8.908 8.380 0.032 0.000 0.577 116 S N -1.835 113.878 115.700 0.022 0.000 2.439 116 S HA 0.044 4.534 4.470 0.032 0.000 0.224 116 S C 0.713 175.327 174.600 0.023 0.000 1.029 116 S CA 1.368 59.583 58.200 0.025 0.000 0.946 116 S CB 0.375 63.587 63.200 0.019 0.000 0.797 116 S HN 0.072 8.393 8.310 0.017 0.000 0.504 117 R N -1.467 119.044 120.500 0.017 0.000 2.240 117 R HA -0.097 4.246 4.340 0.005 0.000 0.203 117 R C -1.338 174.972 176.300 0.015 0.000 1.011 117 R CA 0.741 56.848 56.100 0.011 0.000 1.007 117 R CB 1.149 31.454 30.300 0.009 0.000 0.911 117 R HN -0.088 8.511 8.270 0.016 -0.320 0.468 118 V N -1.338 118.592 119.914 0.027 0.000 2.447 118 V HA 0.232 4.570 4.120 0.040 -0.195 0.292 118 V C -2.244 173.885 176.094 0.057 0.000 1.021 118 V CA -1.094 61.230 62.300 0.041 0.000 0.850 118 V CB 2.538 34.383 31.823 0.038 0.000 1.005 118 V HN -0.787 7.553 8.190 0.027 -0.134 0.426 119 A N 6.287 129.157 122.820 0.083 0.000 2.587 119 A HA 0.509 4.879 4.320 0.083 0.000 0.293 119 A C -2.851 174.824 177.584 0.152 0.000 1.087 119 A CA -1.011 51.089 52.037 0.105 0.000 0.692 119 A CB 3.246 22.311 19.000 0.107 0.000 1.291 119 A HN 0.025 8.111 8.150 0.088 0.117 0.407 120 S N -1.766 114.010 115.700 0.127 0.000 2.672 120 S HA 0.566 5.277 4.470 0.166 -0.141 0.276 120 S C -0.817 173.844 174.600 0.102 0.000 1.207 120 S CA -0.901 57.376 58.200 0.128 0.000 1.002 120 S CB 1.664 64.918 63.200 0.089 0.000 0.998 120 S HN -0.048 8.320 8.310 0.098 0.000 0.542 121 I N 0.773 121.360 120.570 0.027 0.000 2.493 121 I HA 0.219 4.329 4.170 -0.100 0.000 0.298 121 I C -1.166 174.901 176.117 -0.082 0.000 0.998 121 I CA -1.790 59.429 61.300 -0.135 0.000 1.137 121 I CB 3.544 41.242 38.000 -0.504 0.000 1.310 121 I HN 0.246 8.484 8.210 0.046 0.000 0.445 122 S N 6.933 122.585 115.700 -0.080 0.000 2.580 122 S HA 0.175 4.629 4.470 -0.027 0.000 0.274 122 S C -0.564 174.006 174.600 -0.050 0.000 1.329 122 S CA 0.334 58.505 58.200 -0.047 0.000 1.036 122 S CB 0.669 63.847 63.200 -0.036 0.000 0.919 122 S HN 0.327 8.580 8.310 -0.096 0.000 0.515 123 L N 2.287 123.495 121.223 -0.025 0.000 2.439 123 L HA 0.160 4.496 4.340 -0.007 0.000 0.261 123 L C -1.274 175.590 176.870 -0.011 0.000 1.153 123 L CA -2.297 52.538 54.840 -0.009 0.000 0.808 123 L CB 0.159 42.221 42.059 0.004 0.000 1.126 123 L HN 0.217 8.435 8.230 -0.020 0.000 0.460 124 P HA 0.146 4.554 4.420 -0.020 0.000 0.281 124 P C -1.189 176.109 177.300 -0.004 0.000 1.249 124 P CA -0.755 62.340 63.100 -0.009 0.000 0.810 124 P CB 0.527 32.221 31.700 -0.009 0.000 1.008 128 c N 1.622 120.195 118.600 -0.045 0.000 2.604 128 c HA 0.100 4.631 4.570 -0.066 0.000 0.396 128 c C 0.033 174.061 174.090 -0.103 0.000 1.282 128 c CA -0.170 56.117 56.329 -0.070 0.000 2.292 128 c CB 0.155 42.628 42.510 -0.061 0.000 2.633 128 c HN 0.045 8.252 8.230 -0.039 0.000 0.620 129 A N 3.110 125.832 122.820 -0.162 0.000 2.302 129 A HA 0.000 4.244 4.320 -0.128 0.000 0.285 129 A C -1.035 176.434 177.584 -0.190 0.000 1.105 129 A CA -0.076 51.853 52.037 -0.179 0.000 0.816 129 A CB 0.993 19.851 19.000 -0.236 0.000 1.067 129 A HN 0.102 8.134 8.150 -0.198 0.000 0.489 133 G N 0.878 109.639 108.800 -0.065 0.000 2.279 133 G HA2 -0.266 3.666 3.960 -0.047 0.000 0.223 133 G HA3 -0.266 3.668 3.960 -0.044 0.000 0.223 133 G C -0.134 174.730 174.900 -0.060 0.000 1.015 133 G CA -0.083 44.986 45.100 -0.053 0.000 0.621 133 G HN 0.668 8.811 8.290 -0.069 0.105 0.506 134 T N 3.770 118.276 114.554 -0.080 0.000 2.928 134 T HA -0.164 4.149 4.350 -0.061 0.000 0.305 134 T C -1.153 173.502 174.700 -0.075 0.000 1.035 134 T CA 2.343 64.395 62.100 -0.080 0.000 1.145 134 T CB 0.500 69.301 68.868 -0.112 0.000 0.963 134 T HN -0.580 7.508 8.240 -0.093 0.096 0.545 135 Q N 5.641 125.411 119.800 -0.050 0.000 2.243 135 Q HA 0.151 4.590 4.340 -0.045 -0.126 0.252 135 Q C -1.356 174.625 176.000 -0.032 0.000 0.909 135 Q CA -0.097 55.686 55.803 -0.033 0.000 0.922 135 Q CB 1.882 30.617 28.738 -0.005 0.000 1.215 135 Q HN 0.193 8.438 8.270 -0.041 0.000 0.427 136 c N 3.397 121.980 118.600 -0.029 0.000 2.913 136 c HA 0.618 5.285 4.570 -0.018 -0.108 0.322 136 c C -1.762 172.334 174.090 0.011 0.000 1.292 136 c CA -1.459 54.856 56.329 -0.023 0.000 1.649 136 c CB 4.099 46.577 42.510 -0.054 0.000 2.139 136 c HN 0.880 8.978 8.230 -0.031 0.113 0.475 137 L N 0.869 122.107 121.223 0.025 0.000 2.305 137 L HA 0.825 5.372 4.340 0.062 -0.170 0.284 137 L C -2.252 174.637 176.870 0.030 0.000 1.013 137 L CA -1.251 53.620 54.840 0.052 0.000 0.819 137 L CB 3.048 45.160 42.059 0.089 0.000 1.227 137 L HN 0.671 8.803 8.230 0.017 0.108 0.417 138 I N 7.834 128.408 120.570 0.007 0.000 2.474 138 I HA 0.861 5.274 4.170 0.020 -0.231 0.294 138 I C -1.416 174.677 176.117 -0.041 0.000 1.005 138 I CA -1.498 59.802 61.300 -0.000 0.000 1.113 138 I CB 2.810 40.812 38.000 0.002 0.000 1.289 138 I HN 1.005 9.222 8.210 0.011 0.000 0.436 139 S N 2.940 118.611 115.700 -0.050 0.000 2.618 139 S HA 0.988 5.482 4.470 -0.206 -0.148 0.277 139 S C -1.207 173.284 174.600 -0.182 0.000 1.138 139 S CA -1.805 56.293 58.200 -0.170 0.000 0.844 139 S CB 3.771 66.834 63.200 -0.229 0.000 1.127 139 S HN -0.203 8.109 8.310 0.003 0.000 0.474 140 G N -1.322 107.279 108.800 -0.331 0.000 2.316 140 G HA2 0.151 3.869 3.960 -0.403 0.000 0.296 140 G HA3 0.151 4.210 3.960 -0.060 -0.135 0.296 140 G C -2.217 172.465 174.900 -0.363 0.000 1.399 140 G CA 0.558 45.483 45.100 -0.292 0.000 0.833 140 G HN 0.161 8.201 8.290 -0.417 0.000 0.565 141 W N 1.075 122.339 121.300 -0.060 0.000 3.194 141 W HA 0.373 4.983 4.660 -0.084 0.000 0.408 141 W C -0.017 176.529 176.519 0.044 0.000 1.072 141 W CA -0.894 56.386 57.345 -0.109 0.000 1.953 141 W CB 0.153 29.365 29.460 -0.413 0.000 1.091 141 W HN 0.585 8.916 8.180 0.253 0.000 0.699 142 G N 0.749 109.681 108.800 0.221 0.000 2.621 142 G HA2 -0.070 4.165 3.960 0.426 0.000 0.271 142 G HA3 -0.070 4.148 3.960 0.177 -0.152 0.271 142 G C -0.929 173.918 174.900 -0.090 0.000 1.236 142 G CA -0.723 44.500 45.100 0.206 0.000 0.958 142 G HN -0.346 8.220 8.290 0.137 -0.193 0.512 143 N N -0.465 118.004 118.700 -0.385 0.000 2.353 143 N HA -0.315 3.902 4.740 -1.130 -0.155 0.248 143 N C 0.785 176.128 175.510 -0.277 0.000 1.240 143 N CA 1.197 53.839 53.050 -0.680 0.000 0.862 143 N CB 0.615 38.763 38.487 -0.566 0.000 1.086 143 N HN 0.205 8.473 8.380 -0.187 0.000 0.453 144 T N 0.115 114.529 114.554 -0.233 0.000 3.085 144 T HA 0.212 4.638 4.350 -0.088 -0.128 0.264 144 T C 0.067 174.721 174.700 -0.077 0.000 1.019 144 T CA 0.169 62.203 62.100 -0.111 0.000 0.910 144 T CB 1.441 70.262 68.868 -0.079 0.000 1.059 144 T HN 0.224 8.288 8.240 -0.294 0.000 0.542 145 K N 1.719 122.064 120.400 -0.091 0.000 2.259 145 K HA 0.332 4.633 4.320 -0.032 0.000 0.249 145 K C -0.505 176.076 176.600 -0.032 0.000 0.942 145 K CA -1.054 55.205 56.287 -0.047 0.000 0.816 145 K CB 2.099 34.576 32.500 -0.039 0.000 1.155 145 K HN -0.830 7.495 8.250 -0.142 -0.160 0.428 146 S N 1.600 117.293 115.700 -0.011 0.000 2.478 146 S HA -0.073 4.400 4.470 0.005 0.000 0.222 146 S C -0.230 174.376 174.600 0.010 0.000 1.008 146 S CA 1.467 59.669 58.200 0.003 0.000 0.928 146 S CB 0.434 63.640 63.200 0.010 0.000 0.781 146 S HN 0.375 8.679 8.310 -0.009 0.000 0.518 147 S N -0.425 115.279 115.700 0.007 0.000 2.594 147 S HA 0.179 4.661 4.470 0.020 0.000 0.296 147 S C -1.912 172.696 174.600 0.013 0.000 1.124 147 S CA -0.643 57.566 58.200 0.014 0.000 1.011 147 S CB 1.651 64.859 63.200 0.014 0.000 1.016 147 S HN -0.526 7.763 8.310 0.002 0.023 0.485 148 G N 1.505 110.318 108.800 0.021 0.000 2.685 148 G HA2 -0.276 3.705 3.960 0.036 0.000 0.387 148 G HA3 -0.276 3.696 3.960 0.021 0.000 0.387 148 G C -2.283 172.632 174.900 0.024 0.000 1.324 148 G CA -0.632 44.483 45.100 0.026 0.000 0.878 148 G HN -0.017 8.289 8.290 0.027 0.000 0.527 149 T N -4.523 110.055 114.554 0.040 0.000 2.916 149 T HA 0.214 4.726 4.350 -0.055 -0.195 0.305 149 T C -1.694 173.031 174.700 0.041 0.000 1.119 149 T CA -1.580 60.541 62.100 0.035 0.000 1.008 149 T CB 3.209 72.189 68.868 0.186 0.000 1.129 149 T HN -0.200 8.070 8.240 0.050 0.000 0.480 150 S N 1.975 117.645 115.700 -0.050 0.000 2.599 150 S HA 0.173 4.715 4.470 0.120 0.000 0.269 150 S C -2.292 172.252 174.600 -0.093 0.000 1.135 150 S CA 0.637 58.847 58.200 0.017 0.000 1.027 150 S CB 1.070 64.269 63.200 -0.002 0.000 1.129 150 S HN 0.502 9.023 8.310 -0.248 -0.359 0.458 151 Y N 5.635 125.967 120.300 0.054 0.000 2.330 151 Y HA 0.234 4.831 4.550 0.079 0.000 0.336 151 Y C -1.392 174.550 175.900 0.070 0.000 1.036 151 Y CA -2.872 55.271 58.100 0.072 0.000 1.125 151 Y CB 0.759 39.269 38.460 0.083 0.000 1.194 151 Y HN 0.065 8.551 8.280 0.343 0.000 0.469 152 P HA 0.128 4.615 4.420 0.113 0.000 0.279 152 P C -1.592 175.829 177.300 0.202 0.000 1.252 152 P CA -1.063 62.123 63.100 0.144 0.000 0.811 152 P CB 1.611 33.365 31.700 0.089 0.000 1.035 153 D N -1.101 119.396 120.400 0.162 0.000 2.301 153 D HA -0.007 4.702 4.640 0.116 0.000 0.206 153 D C -0.815 175.637 176.300 0.255 0.000 0.979 153 D CA 1.264 55.353 54.000 0.148 0.000 0.874 153 D CB 1.051 41.901 40.800 0.084 0.000 0.968 153 D HN 0.433 8.878 8.370 0.125 0.000 0.510 154 V N -7.217 112.841 119.914 0.240 0.000 2.850 154 V HA 0.622 5.217 4.120 0.388 -0.242 0.315 154 V C -0.664 175.484 176.094 0.090 0.000 1.064 154 V CA -2.569 59.878 62.300 0.246 0.000 0.979 154 V CB 2.150 34.038 31.823 0.108 0.000 1.039 154 V HN -1.000 7.289 8.190 0.165 0.000 0.452 155 L N 2.261 123.417 121.223 -0.112 0.000 2.455 155 L HA -0.054 3.564 4.340 -1.204 0.000 0.272 155 L C -0.515 176.113 176.870 -0.404 0.000 1.174 155 L CA 0.819 55.272 54.840 -0.645 0.000 0.869 155 L CB 0.556 42.207 42.059 -0.680 0.000 1.130 155 L HN -0.289 8.165 8.230 0.079 -0.177 0.474 156 K N 5.375 125.514 120.400 -0.436 0.000 2.208 156 K HA 0.678 4.955 4.320 -0.329 -0.155 0.247 156 K C -1.161 175.189 176.600 -0.417 0.000 0.953 156 K CA -2.495 53.586 56.287 -0.345 0.000 0.837 156 K CB 2.603 34.965 32.500 -0.231 0.000 1.131 156 K HN -0.188 7.734 8.250 -0.546 0.000 0.431 157 c N -0.735 117.523 118.600 -0.571 0.000 2.707 157 c HA 0.959 5.477 4.570 -0.377 -0.174 0.313 157 c C -1.858 171.915 174.090 -0.527 0.000 1.209 157 c CA -0.778 55.177 56.329 -0.623 0.000 1.635 157 c CB 3.792 45.748 42.510 -0.923 0.000 2.206 157 c HN 0.801 8.523 8.230 -0.672 0.104 0.485 158 L N 0.722 121.831 121.223 -0.189 0.000 2.493 158 L HA 0.444 4.872 4.340 0.148 0.000 0.265 158 L C -2.545 174.407 176.870 0.136 0.000 0.954 158 L CA 0.014 54.885 54.840 0.052 0.000 0.844 158 L CB 4.496 46.591 42.059 0.060 0.000 1.302 158 L HN 0.768 8.908 8.230 -0.150 0.000 0.405 159 K N 6.319 126.856 120.400 0.230 0.000 2.213 159 K HA 0.867 5.479 4.320 0.127 -0.216 0.270 159 K C -1.392 175.324 176.600 0.193 0.000 1.002 159 K CA -0.927 55.467 56.287 0.179 0.000 0.868 159 K CB 1.439 34.045 32.500 0.177 0.000 1.093 159 K HN 0.320 8.743 8.250 0.288 0.000 0.454 160 A N 3.191 126.061 122.820 0.084 0.000 2.572 160 A HA 0.660 4.967 4.320 -0.022 0.000 0.295 160 A C -3.393 174.119 177.584 -0.119 0.000 1.072 160 A CA -2.837 49.177 52.037 -0.038 0.000 0.691 160 A CB 3.060 22.026 19.000 -0.058 0.000 1.291 160 A HN 0.809 8.984 8.150 0.042 0.000 0.404 161 P HA 0.775 5.351 4.420 -0.102 -0.218 0.282 161 P C -1.123 176.103 177.300 -0.123 0.000 1.259 161 P CA -1.492 61.520 63.100 -0.148 0.000 0.826 161 P CB 1.572 33.187 31.700 -0.142 0.000 1.064 162 I N -0.196 120.321 120.570 -0.089 0.000 2.474 162 I HA -0.002 4.314 4.170 0.065 -0.107 0.287 162 I C -0.032 176.069 176.117 -0.028 0.000 1.048 162 I CA 0.235 61.511 61.300 -0.039 0.000 1.383 162 I CB 0.686 38.578 38.000 -0.180 0.000 1.412 162 I HN 0.088 8.237 8.210 -0.102 0.000 0.531 163 L N 6.799 128.043 121.223 0.034 0.000 2.387 163 L HA 0.235 4.566 4.340 -0.014 0.000 0.266 163 L C -0.070 176.820 176.870 0.032 0.000 1.059 163 L CA -1.069 53.782 54.840 0.018 0.000 0.801 163 L CB 1.045 43.124 42.059 0.032 0.000 1.223 163 L HN 0.504 8.695 8.230 0.115 0.108 0.456 164 S N -0.208 115.503 115.700 0.018 0.000 2.579 164 S HA -0.138 4.338 4.470 0.010 0.000 0.275 164 S C 0.358 174.984 174.600 0.044 0.000 1.345 164 S CA 0.088 58.300 58.200 0.020 0.000 1.031 164 S CB 1.565 64.771 63.200 0.011 0.000 0.892 164 S HN -0.006 8.310 8.310 0.009 0.000 0.529 165 D N 1.469 121.896 120.400 0.045 0.000 2.219 165 D HA -0.193 4.498 4.640 0.086 0.000 0.205 165 D C 1.924 178.257 176.300 0.055 0.000 0.970 165 D CA 3.199 57.237 54.000 0.063 0.000 0.851 165 D CB -0.278 40.554 40.800 0.054 0.000 0.943 165 D HN 0.583 8.971 8.370 0.030 0.000 0.488 166 S N -0.901 114.821 115.700 0.038 0.000 2.355 166 S HA -0.263 4.228 4.470 0.036 0.000 0.222 166 S C 1.809 176.429 174.600 0.033 0.000 1.031 166 S CA 3.431 61.651 58.200 0.032 0.000 0.993 166 S CB -0.414 62.799 63.200 0.021 0.000 0.859 166 S HN -0.061 8.237 8.310 0.031 0.031 0.453 167 S N 1.792 117.510 115.700 0.030 0.000 2.368 167 S HA -0.225 4.253 4.470 0.013 0.000 0.225 167 S C 2.180 176.801 174.600 0.035 0.000 1.030 167 S CA 3.115 61.329 58.200 0.023 0.000 0.999 167 S CB -1.115 62.095 63.200 0.017 0.000 0.844 167 S HN 0.156 8.483 8.310 0.028 0.000 0.459 168 c N 3.760 122.398 118.600 0.064 0.000 2.436 168 c HA -0.295 4.346 4.570 0.118 0.000 0.277 168 c C 2.039 176.209 174.090 0.132 0.000 1.241 168 c CA 3.040 59.434 56.329 0.109 0.000 1.721 168 c CB -1.870 40.711 42.510 0.119 0.000 2.043 168 c HN -0.006 8.262 8.230 0.063 0.000 0.472 169 K N -1.233 119.230 120.400 0.105 0.000 2.148 169 K HA -0.301 4.113 4.320 0.157 0.000 0.204 169 K C 2.398 179.045 176.600 0.079 0.000 1.050 169 K CA 2.920 59.273 56.287 0.111 0.000 0.942 169 K CB -0.261 32.289 32.500 0.084 0.000 0.724 169 K HN 0.175 8.476 8.250 0.086 0.000 0.446 170 S N -1.038 114.688 115.700 0.043 0.000 2.402 170 S HA -0.205 4.277 4.470 0.020 0.000 0.229 170 S C 1.435 176.018 174.600 -0.029 0.000 1.021 170 S CA 2.484 60.691 58.200 0.012 0.000 0.974 170 S CB -0.220 62.982 63.200 0.004 0.000 0.800 170 S HN -0.216 8.031 8.310 0.044 0.089 0.484 171 A N -0.313 122.464 122.820 -0.070 0.000 1.970 171 A HA -0.078 4.108 4.320 -0.223 0.000 0.216 171 A C -0.462 176.878 177.584 -0.406 0.000 1.170 171 A CA 1.784 53.662 52.037 -0.266 0.000 0.645 171 A CB 0.904 19.670 19.000 -0.390 0.000 0.816 171 A HN -0.493 7.535 8.150 -0.024 0.108 0.447 172 Y N -5.385 114.945 120.300 0.050 0.000 2.562 172 Y HA 0.467 5.082 4.550 0.108 0.000 0.363 172 Y C -2.435 173.522 175.900 0.096 0.000 0.991 172 Y CA -3.436 54.725 58.100 0.102 0.000 1.121 172 Y CB -0.144 38.411 38.460 0.158 0.000 1.159 172 Y HN -0.543 7.702 8.280 0.087 0.087 0.651 173 P HA -0.105 4.478 4.420 0.104 -0.100 0.264 173 P C 0.888 178.261 177.300 0.121 0.000 1.183 173 P CA 1.081 64.248 63.100 0.111 0.000 0.763 173 P CB 0.241 31.980 31.700 0.064 0.000 0.807 174 G N 2.739 111.597 108.800 0.097 0.000 2.180 174 G HA2 -0.373 3.623 3.960 0.061 0.000 0.263 174 G HA3 -0.373 3.621 3.960 0.058 0.000 0.263 174 G C -0.033 174.919 174.900 0.087 0.000 0.989 174 G CA 0.996 46.141 45.100 0.075 0.000 0.692 174 G HN 0.481 8.823 8.290 0.087 0.000 0.526 175 Q N -2.926 116.963 119.800 0.147 0.000 2.211 175 Q HA 0.100 4.479 4.340 0.066 0.000 0.242 175 Q C -0.519 175.611 176.000 0.217 0.000 0.825 175 Q CA -0.309 55.589 55.803 0.158 0.000 0.951 175 Q CB 1.874 30.756 28.738 0.241 0.000 1.130 175 Q HN -0.386 7.942 8.270 0.185 0.053 0.496 176 I N 0.672 121.364 120.570 0.203 0.000 2.331 176 I HA 0.160 4.468 4.170 0.230 0.000 0.292 176 I C -0.067 176.125 176.117 0.124 0.000 0.998 176 I CA -2.455 58.954 61.300 0.182 0.000 1.267 176 I CB -0.620 37.476 38.000 0.160 0.000 1.386 176 I HN -0.468 7.853 8.210 0.184 0.000 0.476 177 T N 4.608 119.232 114.554 0.118 0.000 2.889 177 T HA 0.287 4.678 4.350 0.068 0.000 0.278 177 T C 1.105 175.855 174.700 0.083 0.000 0.995 177 T CA -1.912 60.237 62.100 0.082 0.000 0.966 177 T CB 2.042 70.951 68.868 0.069 0.000 1.237 177 T HN -0.280 8.046 8.240 0.143 0.000 0.591 178 S N -1.662 114.074 115.700 0.059 0.000 2.555 178 S HA -0.196 4.311 4.470 0.062 0.000 0.230 178 S C -0.315 174.324 174.600 0.066 0.000 0.978 178 S CA 2.767 60.998 58.200 0.052 0.000 0.934 178 S CB -0.250 62.962 63.200 0.020 0.000 0.766 178 S HN 0.279 8.616 8.310 0.044 0.000 0.533 179 N N -0.389 118.364 118.700 0.087 0.000 2.251 179 N HA 0.155 4.959 4.740 0.107 0.000 0.217 179 N C -1.863 173.765 175.510 0.196 0.000 1.124 179 N CA -0.607 52.526 53.050 0.137 0.000 0.843 179 N CB 0.897 39.482 38.487 0.164 0.000 1.024 179 N HN -0.598 7.754 8.380 0.085 0.080 0.501 180 M N -0.925 118.777 119.600 0.169 0.000 2.550 180 M HA 0.775 5.529 4.480 0.091 -0.220 0.292 180 M C -2.180 174.233 176.300 0.189 0.000 1.221 180 M CA -0.319 55.057 55.300 0.127 0.000 0.873 180 M CB 5.032 37.684 32.600 0.086 0.000 1.727 180 M HN -0.798 7.494 8.290 0.150 0.087 0.459 181 F N -5.180 114.812 119.950 0.070 0.000 2.645 181 F HA 0.598 5.152 4.527 0.045 0.000 0.310 181 F C -2.898 172.952 175.800 0.083 0.000 1.102 181 F CA -2.334 55.703 58.000 0.062 0.000 0.952 181 F CB 2.326 41.360 39.000 0.056 0.000 1.326 181 F HN 0.181 8.327 8.300 -0.256 0.000 0.456 182 c N -0.180 118.577 118.600 0.261 0.000 2.391 182 c HA 1.001 5.815 4.570 0.068 -0.203 0.339 182 c C -1.103 173.173 174.090 0.310 0.000 1.205 182 c CA -1.021 55.413 56.329 0.174 0.000 1.937 182 c CB 2.846 45.427 42.510 0.120 0.000 2.341 182 c HN 0.903 9.325 8.230 0.320 0.000 0.516 183 A N 2.785 125.766 122.820 0.269 0.000 2.476 183 A HA 0.621 5.119 4.320 0.080 -0.130 0.280 183 A C -2.301 175.323 177.584 0.066 0.000 1.081 183 A CA -0.371 51.742 52.037 0.127 0.000 0.753 183 A CB 2.668 21.661 19.000 -0.010 0.000 1.248 183 A HN 0.478 8.819 8.150 0.318 0.000 0.424 184 Y N 2.926 123.258 120.300 0.054 0.000 2.404 184 Y HA 0.062 4.652 4.550 0.032 -0.021 0.344 184 Y C 1.122 177.037 175.900 0.025 0.000 0.995 184 Y CA -0.137 57.983 58.100 0.035 0.000 1.201 184 Y CB 0.233 38.711 38.460 0.031 0.000 1.151 184 Y HN 0.413 8.802 8.280 0.181 0.000 0.517 185 L N 4.348 125.641 121.223 0.116 0.000 2.353 185 L HA -0.382 3.985 4.340 0.044 0.000 0.220 185 L C 0.986 177.898 176.870 0.069 0.000 1.133 185 L CA 2.473 57.352 54.840 0.064 0.000 0.798 185 L CB -0.467 41.611 42.059 0.032 0.000 0.922 185 L HN 0.564 8.847 8.230 0.090 0.000 0.445 186 E N -2.565 117.699 120.200 0.106 0.000 2.285 186 E HA -0.106 4.271 4.350 0.045 0.000 0.194 186 E C 0.815 177.452 176.600 0.061 0.000 0.997 186 E CA 0.301 56.743 56.400 0.069 0.000 0.845 186 E CB -0.153 29.585 29.700 0.062 0.000 0.782 186 E HN 0.122 8.521 8.360 0.159 0.057 0.491 187 G N 1.125 109.983 108.800 0.097 0.000 3.436 187 G HA2 -0.388 3.628 3.960 0.094 0.000 0.685 187 G HA3 -0.388 3.635 3.960 0.047 -0.035 0.685 187 G C -0.872 174.055 174.900 0.044 0.000 1.039 187 G CA -0.241 44.903 45.100 0.073 0.000 0.879 187 G HN -0.394 7.823 8.290 0.154 0.165 0.478 188 K N 1.749 122.165 120.400 0.027 0.000 7.012 188 K HA -0.601 3.980 4.320 0.038 -0.238 0.677 188 K C -1.365 175.343 176.600 0.180 0.000 2.516 188 K CA 0.686 57.016 56.287 0.070 0.000 1.841 188 K CB 0.021 32.509 32.500 -0.019 0.000 1.900 188 K HN 0.272 8.562 8.250 0.068 0.000 0.293 189 D N 0.548 121.029 120.400 0.136 0.000 2.764 189 D HA 0.247 5.002 4.640 0.191 0.000 0.293 189 D C -1.882 174.483 176.300 0.109 0.000 1.287 189 D CA -0.513 53.574 54.000 0.145 0.000 0.768 189 D CB 3.720 44.589 40.800 0.114 0.000 1.288 189 D HN 0.294 8.721 8.370 0.094 0.000 0.426 190 S N -1.453 114.324 115.700 0.128 0.000 2.707 190 S HA 0.263 4.780 4.470 0.079 0.000 0.276 190 S C -1.450 173.188 174.600 0.064 0.000 1.179 190 S CA -0.267 57.996 58.200 0.105 0.000 0.992 190 S CB 1.657 64.959 63.200 0.170 0.000 1.030 190 S HN 0.270 8.676 8.310 0.160 0.000 0.554 191 c N -1.454 117.183 118.600 0.061 0.000 3.276 191 c HA 0.227 4.828 4.570 0.052 0.000 0.370 191 c C -1.272 172.878 174.090 0.101 0.000 1.624 191 c CA -0.468 55.895 56.329 0.056 0.000 1.179 191 c CB 2.874 45.392 42.510 0.014 0.000 1.909 191 c HN 0.360 8.925 8.230 0.075 -0.290 0.434 192 Q N 1.760 121.629 119.800 0.116 0.000 2.269 192 Q HA -0.223 4.237 4.340 0.200 0.000 0.300 192 Q C 1.345 177.523 176.000 0.296 0.000 1.070 192 Q CA 2.399 58.323 55.803 0.202 0.000 0.957 192 Q CB -0.418 28.455 28.738 0.224 0.000 1.131 192 Q HN 0.452 8.772 8.270 0.084 0.000 0.377 193 G N 4.826 113.823 108.800 0.329 0.000 2.254 193 G HA2 -0.438 3.758 3.960 0.393 0.000 0.225 193 G HA3 -0.438 3.863 3.960 0.568 0.000 0.225 193 G C 0.640 175.773 174.900 0.389 0.000 1.003 193 G CA 0.970 46.328 45.100 0.430 0.000 0.622 193 G HN 0.702 9.165 8.290 0.288 0.000 0.507 194 D N 1.873 122.432 120.400 0.265 0.000 2.333 194 D HA 0.099 4.880 4.640 0.235 0.000 0.208 194 D C 0.129 176.539 176.300 0.184 0.000 0.984 194 D CA 0.966 55.091 54.000 0.208 0.000 0.873 194 D CB 0.435 41.318 40.800 0.138 0.000 0.935 194 D HN 0.077 8.492 8.370 0.231 0.093 0.521 195 S N -0.502 115.314 115.700 0.194 0.000 2.715 195 S HA -0.580 4.149 4.470 0.201 -0.139 0.318 195 S C 1.035 175.670 174.600 0.058 0.000 1.242 195 S CA 2.904 61.212 58.200 0.180 0.000 1.044 195 S CB -0.026 63.361 63.200 0.313 0.000 0.760 195 S HN -0.507 7.897 8.310 0.220 0.038 0.501 196 G N 4.566 113.382 108.800 0.027 0.000 2.253 196 G HA2 -0.446 3.574 3.960 -0.031 0.000 0.251 196 G HA3 -0.446 3.595 3.960 -0.061 -0.117 0.251 196 G C -0.288 174.650 174.900 0.062 0.000 0.998 196 G CA 0.224 45.318 45.100 -0.011 0.000 0.621 196 G HN 0.823 9.159 8.290 0.077 0.000 0.524 197 G N 1.055 109.917 108.800 0.105 0.000 2.651 197 G HA2 0.297 4.402 3.960 0.128 0.000 0.260 197 G HA3 0.297 4.333 3.960 0.127 0.000 0.260 197 G C -2.620 172.363 174.900 0.140 0.000 1.216 197 G CA -1.817 43.359 45.100 0.127 0.000 0.913 197 G HN -0.262 7.996 8.290 0.114 0.100 0.535 198 P HA 0.410 5.043 4.420 0.127 -0.136 0.284 198 P C -1.609 175.757 177.300 0.109 0.000 1.258 198 P CA -1.044 62.143 63.100 0.146 0.000 0.824 198 P CB 1.874 33.712 31.700 0.231 0.000 1.038 199 V N 1.984 121.941 119.914 0.072 0.000 2.419 199 V HA 0.287 4.567 4.120 -0.012 -0.167 0.287 199 V C -1.307 174.796 176.094 0.016 0.000 1.017 199 V CA -0.433 61.873 62.300 0.010 0.000 0.844 199 V CB 1.708 33.512 31.823 -0.033 0.000 1.011 199 V HN -0.190 8.047 8.190 0.079 0.000 0.429 200 V N 8.033 127.948 119.914 0.001 0.000 2.459 200 V HA 0.677 4.951 4.120 -0.072 -0.197 0.295 200 V C -1.368 174.708 176.094 -0.031 0.000 1.029 200 V CA -1.309 60.963 62.300 -0.046 0.000 0.874 200 V CB 3.045 34.818 31.823 -0.085 0.000 0.985 200 V HN 0.537 8.743 8.190 0.026 0.000 0.438 201 c N 7.734 126.303 118.600 -0.051 0.000 2.397 201 c HA 0.564 5.113 4.570 -0.036 0.000 0.325 201 c C 0.090 174.150 174.090 -0.049 0.000 1.201 201 c CA -1.152 55.145 56.329 -0.052 0.000 1.377 201 c CB 1.684 44.143 42.510 -0.085 0.000 2.038 201 c HN 0.602 8.793 8.230 -0.064 0.000 0.457 202 S N 4.730 120.410 115.700 -0.033 0.000 3.614 202 S HA -0.405 4.055 4.470 -0.016 0.000 0.360 202 S C 0.339 174.922 174.600 -0.030 0.000 1.023 202 S CA 1.156 59.340 58.200 -0.027 0.000 1.114 202 S CB -1.650 61.530 63.200 -0.034 0.000 0.907 202 S HN 1.027 9.323 8.310 -0.023 0.000 0.470 203 G N -4.918 103.864 108.800 -0.030 0.000 2.155 203 G HA2 -0.506 3.431 3.960 -0.039 0.000 0.257 203 G HA3 -0.506 3.439 3.960 -0.026 0.000 0.257 203 G C -1.211 173.642 174.900 -0.079 0.000 0.983 203 G CA 0.377 45.452 45.100 -0.043 0.000 0.676 203 G HN 0.288 8.555 8.290 -0.022 0.010 0.528 210 Q N 1.193 121.012 119.800 0.031 0.000 2.378 210 Q HA 0.213 4.591 4.340 0.062 0.000 0.229 210 Q C -0.203 175.966 176.000 0.283 0.000 0.882 210 Q CA 0.140 55.988 55.803 0.075 0.000 0.936 210 Q CB 2.820 31.523 28.738 -0.058 0.000 1.092 210 Q HN 0.440 8.719 8.270 0.014 0.000 0.535 211 G N -3.059 105.914 108.800 0.289 0.000 2.695 211 G HA2 0.621 5.057 3.960 0.388 0.000 0.290 211 G HA3 0.621 4.823 3.960 0.403 0.000 0.290 211 G C -3.245 171.772 174.900 0.196 0.000 1.410 211 G CA -0.612 44.692 45.100 0.340 0.000 0.844 211 G HN -0.297 8.097 8.290 0.174 0.000 0.478 212 I N -1.628 119.055 120.570 0.188 0.000 2.533 212 I HA 0.662 5.176 4.170 0.160 -0.248 0.290 212 I C -0.259 175.987 176.117 0.215 0.000 1.056 212 I CA -1.655 59.743 61.300 0.163 0.000 1.057 212 I CB 4.224 42.281 38.000 0.094 0.000 1.240 212 I HN -0.401 7.911 8.210 0.171 0.000 0.423 213 V N 7.007 127.061 119.914 0.234 0.000 2.458 213 V HA -0.216 3.947 4.120 0.071 0.000 0.287 213 V C -0.932 175.200 176.094 0.064 0.000 1.009 213 V CA 1.771 64.158 62.300 0.145 0.000 1.091 213 V CB -1.956 29.974 31.823 0.178 0.000 0.960 213 V HN 0.328 8.642 8.190 0.206 0.000 0.476 214 S N 8.062 123.696 115.700 -0.110 0.000 2.998 214 S HA 0.428 5.197 4.470 0.349 -0.089 0.208 214 S C -0.863 173.803 174.600 0.110 0.000 0.876 214 S CA 1.002 59.267 58.200 0.108 0.000 0.836 214 S CB 1.795 65.040 63.200 0.076 0.000 0.817 214 S HN -0.077 7.956 8.310 -0.462 0.000 0.631 215 W N -3.810 117.312 121.300 -0.297 0.000 2.962 215 W HA 0.277 4.801 4.660 -0.227 0.000 0.405 215 W C -2.763 173.571 176.519 -0.308 0.000 1.121 215 W CA -0.603 56.573 57.345 -0.281 0.000 1.164 215 W CB 1.341 30.635 29.460 -0.276 0.000 1.489 215 W HN -0.190 7.673 8.180 -0.528 0.000 0.599 216 G N -3.357 105.505 108.800 0.105 0.000 2.338 216 G HA2 -0.012 3.671 3.960 -0.462 0.000 0.295 216 G HA3 -0.012 3.885 3.960 -0.106 0.000 0.295 216 G C -2.275 172.762 174.900 0.228 0.000 1.461 216 G CA 0.307 45.371 45.100 -0.060 0.000 0.817 216 G HN -0.076 8.465 8.290 0.418 0.000 0.556 220 c N 1.767 120.402 118.600 0.058 0.000 3.471 220 c HA 0.292 5.033 4.570 0.056 -0.137 0.191 220 c C -1.599 172.520 174.090 0.048 0.000 1.480 220 c CA -0.829 55.530 56.329 0.050 0.000 1.281 220 c CB -1.125 41.406 42.510 0.035 0.000 1.898 220 c HN 0.340 8.601 8.230 0.052 0.000 0.533 221 Q N -1.454 118.376 119.800 0.050 0.000 2.920 221 Q HA 0.114 4.472 4.340 0.030 0.000 0.255 221 Q C -1.362 174.656 176.000 0.030 0.000 0.976 221 Q CA -0.557 55.267 55.803 0.036 0.000 0.862 221 Q CB 2.395 31.155 28.738 0.036 0.000 1.952 221 Q HN 0.319 8.625 8.270 0.059 0.000 0.489 222 K N 3.937 124.349 120.400 0.019 0.000 2.436 222 K HA -0.302 4.136 4.320 0.026 -0.102 0.275 222 K C 0.286 176.878 176.600 -0.012 0.000 0.999 222 K CA 1.138 57.432 56.287 0.012 0.000 0.980 222 K CB 0.066 32.571 32.500 0.007 0.000 0.919 222 K HN 0.281 8.541 8.250 0.017 0.000 0.484 223 N N 2.086 120.774 118.700 -0.019 0.000 2.713 223 N HA -0.481 4.226 4.740 -0.054 0.000 0.251 223 N C -1.580 173.838 175.510 -0.152 0.000 1.117 223 N CA 1.756 54.765 53.050 -0.069 0.000 0.770 223 N CB -0.476 37.966 38.487 -0.074 0.000 1.137 223 N HN 0.766 9.033 8.380 0.004 0.115 0.566 224 K N -2.486 117.857 120.400 -0.096 0.000 2.842 224 K HA 0.553 4.622 4.320 -0.418 0.000 0.176 224 K C -2.398 174.242 176.600 0.065 0.000 1.080 224 K CA -3.516 52.703 56.287 -0.114 0.000 0.954 224 K CB -0.014 32.483 32.500 -0.006 0.000 1.203 224 K HN -0.671 7.500 8.250 -0.028 0.062 0.611 225 P HA -0.020 4.460 4.420 0.100 0.000 0.275 225 P C -0.638 176.712 177.300 0.083 0.000 1.266 225 P CA -0.450 62.714 63.100 0.108 0.000 0.793 225 P CB 1.208 32.960 31.700 0.087 0.000 1.074 226 G N -2.526 106.289 108.800 0.025 0.000 2.476 226 G HA2 0.353 4.105 3.960 -0.346 0.000 0.269 226 G HA3 0.353 4.168 3.960 -0.242 0.000 0.269 226 G C -1.610 172.978 174.900 -0.520 0.000 1.195 226 G CA -0.830 44.106 45.100 -0.273 0.000 0.843 226 G HN -0.346 8.017 8.290 0.122 0.000 0.545 227 V N 1.604 120.885 119.914 -1.056 0.000 2.513 227 V HA 0.667 4.567 4.120 -0.653 -0.171 0.299 227 V C -0.985 174.363 176.094 -1.244 0.000 1.035 227 V CA -2.120 59.528 62.300 -1.088 0.000 0.889 227 V CB 2.033 32.795 31.823 -1.768 0.000 0.988 227 V HN 0.417 7.934 8.190 -1.121 0.000 0.440 228 Y N 4.171 124.063 120.300 -0.680 0.000 2.499 228 Y HA 0.485 4.948 4.550 -0.378 -0.140 0.347 228 Y C 0.149 175.767 175.900 -0.469 0.000 0.987 228 Y CA -2.102 55.611 58.100 -0.644 0.000 1.044 228 Y CB 3.668 41.469 38.460 -1.099 0.000 1.245 228 Y HN 1.090 9.001 8.280 -0.615 0.000 0.461 229 T N 5.055 119.576 114.554 -0.056 0.000 2.870 229 T HA -0.002 4.564 4.350 0.105 -0.153 0.300 229 T C -0.657 174.176 174.700 0.221 0.000 0.989 229 T CA 1.598 63.748 62.100 0.084 0.000 1.139 229 T CB 0.496 69.395 68.868 0.051 0.000 0.920 229 T HN 0.387 8.622 8.240 -0.009 0.000 0.537 230 K N 8.058 128.676 120.400 0.364 0.000 2.183 230 K HA 0.133 4.861 4.320 0.680 0.000 0.272 230 K C 1.098 177.960 176.600 0.435 0.000 1.113 230 K CA -0.653 55.923 56.287 0.481 0.000 0.949 230 K CB -0.296 32.439 32.500 0.391 0.000 1.365 230 K HN 0.012 8.364 8.250 0.335 0.099 0.420 231 V N 6.095 126.246 119.914 0.394 0.000 2.392 231 V HA -0.541 3.895 4.120 0.526 0.000 0.249 231 V C 1.416 177.682 176.094 0.286 0.000 1.059 231 V CA 3.910 66.433 62.300 0.373 0.000 1.051 231 V CB -0.345 31.619 31.823 0.235 0.000 0.658 231 V HN 0.206 8.634 8.190 0.398 0.000 0.455 232 c N -3.700 114.999 118.600 0.165 0.000 2.409 232 c HA -0.225 4.392 4.570 0.078 0.000 0.284 232 c C 1.777 175.885 174.090 0.030 0.000 1.354 232 c CA 1.672 58.047 56.329 0.077 0.000 1.787 232 c CB -2.064 40.462 42.510 0.025 0.000 1.900 232 c HN 0.499 8.808 8.230 0.162 0.018 0.520 233 N N 0.780 119.461 118.700 -0.032 0.000 2.494 233 N HA -0.093 4.548 4.740 -0.164 0.000 0.182 233 N C 0.377 175.642 175.510 -0.409 0.000 1.076 233 N CA 1.221 54.110 53.050 -0.269 0.000 0.908 233 N CB -0.239 37.966 38.487 -0.470 0.000 0.967 233 N HN -0.418 7.949 8.380 0.050 0.043 0.449 234 Y N -4.528 115.848 120.300 0.126 0.000 2.481 234 Y HA 0.149 4.848 4.550 0.248 0.000 0.247 234 Y C 0.286 176.332 175.900 0.243 0.000 1.151 234 Y CA -0.347 57.890 58.100 0.228 0.000 1.238 234 Y CB 0.021 38.647 38.460 0.276 0.000 1.179 234 Y HN -0.053 8.136 8.280 0.168 0.192 0.524 235 V N 1.085 121.139 119.914 0.233 0.000 2.324 235 V HA -0.577 3.631 4.120 0.147 0.000 0.250 235 V C 1.769 177.933 176.094 0.116 0.000 1.060 235 V CA 5.227 67.614 62.300 0.146 0.000 1.042 235 V CB -0.409 31.460 31.823 0.078 0.000 0.650 235 V HN -0.749 7.542 8.190 0.169 0.000 0.450 236 S N -0.833 114.941 115.700 0.123 0.000 2.368 236 S HA -0.312 4.184 4.470 0.043 0.000 0.224 236 S C 1.580 176.262 174.600 0.137 0.000 1.029 236 S CA 3.344 61.600 58.200 0.094 0.000 0.988 236 S CB -0.360 62.891 63.200 0.086 0.000 0.838 236 S HN -0.054 8.328 8.310 0.120 0.000 0.462 237 W N 2.069 123.404 121.300 0.059 0.000 2.355 237 W HA -0.291 4.383 4.660 0.022 0.000 0.309 237 W C 1.336 177.859 176.519 0.007 0.000 1.206 237 W CA 3.427 60.807 57.345 0.059 0.000 1.284 237 W CB -0.178 29.386 29.460 0.174 0.000 1.145 237 W HN -0.285 8.134 8.180 0.399 0.000 0.502 238 I N -0.953 119.588 120.570 -0.049 0.000 2.127 238 I HA -0.777 2.919 4.170 -0.790 0.000 0.241 238 I C 1.930 177.804 176.117 -0.406 0.000 1.075 238 I CA 4.558 65.632 61.300 -0.377 0.000 1.334 238 I CB -0.313 37.627 38.000 -0.101 0.000 1.040 238 I HN 0.446 8.835 8.210 0.299 0.000 0.405 239 K N -1.228 119.041 120.400 -0.217 0.000 2.063 239 K HA -0.439 3.735 4.320 -0.244 0.000 0.208 239 K C 2.635 179.095 176.600 -0.234 0.000 1.048 239 K CA 3.728 59.892 56.287 -0.206 0.000 0.928 239 K CB -0.253 32.184 32.500 -0.104 0.000 0.713 239 K HN -0.056 8.130 8.250 -0.106 0.000 0.442 240 Q N -2.320 117.361 119.800 -0.198 0.000 2.119 240 Q HA -0.238 4.024 4.340 -0.130 0.000 0.201 240 Q C 2.391 178.235 176.000 -0.260 0.000 0.972 240 Q CA 2.931 58.632 55.803 -0.170 0.000 0.847 240 Q CB -0.607 28.082 28.738 -0.082 0.000 0.903 240 Q HN 0.084 8.261 8.270 -0.155 0.000 0.433 241 T N 3.219 117.509 114.554 -0.441 0.000 2.737 241 T HA -0.306 3.846 4.350 -0.330 0.000 0.265 241 T C 2.453 176.841 174.700 -0.520 0.000 1.038 241 T CA 4.811 66.605 62.100 -0.511 0.000 1.144 241 T CB -0.211 68.129 68.868 -0.880 0.000 0.866 241 T HN -0.152 7.773 8.240 -0.525 0.000 0.434 242 I N 0.914 121.043 120.570 -0.736 0.000 2.264 242 I HA -0.458 2.945 4.170 -1.277 0.000 0.248 242 I C 1.738 177.667 176.117 -0.313 0.000 1.111 242 I CA 3.723 64.513 61.300 -0.849 0.000 1.382 242 I CB -0.368 37.073 38.000 -0.932 0.000 1.060 242 I HN -0.028 7.739 8.210 -0.739 0.000 0.418 243 A N -1.680 120.997 122.820 -0.239 0.000 2.067 243 A HA -0.162 4.114 4.320 -0.074 0.000 0.219 243 A C 0.650 178.203 177.584 -0.052 0.000 1.158 243 A CA 2.384 54.356 52.037 -0.107 0.000 0.661 243 A CB -0.455 18.486 19.000 -0.098 0.000 0.801 243 A HN -0.287 7.670 8.150 -0.294 0.016 0.452 244 S N -3.895 111.768 115.700 -0.063 0.000 2.593 244 S HA 0.126 4.597 4.470 0.002 0.000 0.236 244 S C -0.788 173.836 174.600 0.040 0.000 0.991 244 S CA -0.090 58.102 58.200 -0.012 0.000 0.963 244 S CB 0.608 63.789 63.200 -0.032 0.000 0.865 244 S HN -0.444 7.631 8.310 -0.125 0.160 0.488 245 N N 0.000 118.761 118.700 0.102 0.000 1.763 245 N HA 0.000 4.824 4.740 0.140 0.000 0.220 245 N CA 0.000 53.180 53.050 0.216 0.000 0.885 245 N CB 0.000 38.675 38.487 0.313 0.000 1.341 245 N HN 0.000 8.432 8.380 0.086 0.000 0.667