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 1z2e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENKIIYFLC TGNSCRSQMA EGWAKQYLGD EWKVYSAGIE AHGLNPNAVK DATA SEQUENCE AMKEVGIDIS NQTSDIIDSD ILNNADLVVT LcGDAADKcP MTPPHVKREH DATA SEQUENCE WGFDDPARAQ GTEEEKWAFF QRVRDEIGNR LKEFAETGK 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 1 M HA 0.000 4.470 4.480 -0.017 0.000 0.227 1 M C 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.014 0.000 1.302 2 E N 2.586 122.760 120.200 -0.044 0.000 2.641 2 E HA 0.176 4.481 4.350 -0.075 0.000 0.224 2 E C -1.383 175.156 176.600 -0.101 0.000 0.951 2 E CA -0.352 56.007 56.400 -0.069 0.000 1.102 2 E CB 1.206 30.871 29.700 -0.059 0.000 1.091 2 E HN 0.353 8.691 8.360 -0.036 0.000 0.507 3 N N 0.326 118.979 118.700 -0.079 0.000 2.492 3 N HA -0.171 4.493 4.740 -0.127 0.000 0.262 3 N C 0.212 175.641 175.510 -0.134 0.000 1.202 3 N CA 0.800 53.793 53.050 -0.095 0.000 0.926 3 N CB 0.552 39.021 38.487 -0.030 0.000 1.078 3 N HN -0.285 8.065 8.380 -0.051 0.000 0.454 4 K N 5.178 125.419 120.400 -0.264 0.000 2.156 4 K HA -0.029 4.153 4.320 -0.231 0.000 0.242 4 K C -0.555 176.042 176.600 -0.005 0.000 1.033 4 K CA -0.133 55.987 56.287 -0.278 0.000 0.878 4 K CB 0.879 32.877 32.500 -0.837 0.000 1.057 4 K HN 0.261 8.301 8.250 -0.350 0.000 0.505 5 I N -3.766 116.857 120.570 0.090 0.000 2.722 5 I HA 0.360 4.903 4.170 0.216 -0.244 0.295 5 I C -1.299 174.956 176.117 0.230 0.000 1.161 5 I CA -0.568 60.839 61.300 0.178 0.000 1.032 5 I CB 3.674 41.743 38.000 0.116 0.000 1.244 5 I HN -0.065 8.179 8.210 0.057 0.000 0.421 6 I N 3.353 124.057 120.570 0.223 0.000 2.827 6 I HA 0.736 5.135 4.170 0.065 -0.189 0.298 6 I C -2.969 173.136 176.117 -0.020 0.000 1.235 6 I CA -2.286 59.062 61.300 0.079 0.000 1.021 6 I CB 4.814 42.874 38.000 0.100 0.000 1.259 6 I HN 0.687 9.044 8.210 0.246 0.000 0.427 7 Y N 5.461 125.532 120.300 -0.380 0.000 2.457 7 Y HA 0.508 5.183 4.550 -0.107 -0.190 0.343 7 Y C -2.372 173.152 175.900 -0.627 0.000 0.994 7 Y CA -3.435 54.482 58.100 -0.306 0.000 1.031 7 Y CB 4.133 42.519 38.460 -0.124 0.000 1.246 7 Y HN 0.099 8.233 8.280 -0.243 0.000 0.449 8 F N 2.859 122.866 119.950 0.095 0.000 2.507 8 F HA 0.558 5.148 4.527 -0.169 -0.164 0.325 8 F C -1.559 174.119 175.800 -0.202 0.000 1.116 8 F CA -1.742 56.200 58.000 -0.097 0.000 0.930 8 F CB 3.084 42.057 39.000 -0.044 0.000 1.146 8 F HN -0.092 8.376 8.300 0.279 0.000 0.447 9 L N -0.019 121.161 121.223 -0.072 0.000 2.381 9 L HA 0.833 5.278 4.340 -0.211 -0.231 0.268 9 L C -1.160 175.674 176.870 -0.061 0.000 0.997 9 L CA -1.440 53.302 54.840 -0.162 0.000 0.818 9 L CB 3.977 45.888 42.059 -0.247 0.000 1.310 9 L HN 0.981 9.182 8.230 -0.049 0.000 0.416 10 C N -0.230 119.044 119.300 -0.044 0.000 3.259 10 C HA 0.379 4.828 4.460 -0.017 0.000 0.328 10 C C 0.760 175.744 174.990 -0.010 0.000 1.425 10 C CA -1.997 57.015 59.018 -0.010 0.000 1.465 10 C CB 4.180 31.940 27.740 0.033 0.000 1.890 10 C HN 0.143 8.334 8.230 -0.065 0.000 0.450 11 T N 0.767 115.324 114.554 0.006 0.000 2.803 11 T HA -0.313 4.040 4.350 0.005 0.000 0.269 11 T C -0.249 174.467 174.700 0.027 0.000 1.052 11 T CA 3.205 65.313 62.100 0.013 0.000 1.136 11 T CB 0.067 68.946 68.868 0.019 0.000 0.864 11 T HN 0.605 8.851 8.240 0.010 0.000 0.467 12 G N -0.416 108.408 108.800 0.040 0.000 2.746 12 G HA2 0.018 4.177 3.960 0.035 0.000 0.297 12 G HA3 0.018 4.027 3.960 0.081 0.000 0.297 12 G C -2.185 172.750 174.900 0.058 0.000 1.426 12 G CA -0.485 44.647 45.100 0.053 0.000 0.989 12 G HN -1.042 7.254 8.290 0.041 0.019 0.520 13 N N 3.487 122.216 118.700 0.048 0.000 3.210 13 N HA 0.138 4.916 4.740 0.063 0.000 0.314 13 N C -0.618 174.946 175.510 0.090 0.000 1.291 13 N CA -0.543 52.544 53.050 0.062 0.000 1.202 13 N CB -0.592 37.923 38.487 0.048 0.000 1.475 13 N HN 0.387 8.784 8.380 0.029 0.000 0.554 14 S N -0.132 115.636 115.700 0.112 0.000 2.631 14 S HA 0.431 5.059 4.470 0.124 -0.083 0.246 14 S C -0.383 174.329 174.600 0.186 0.000 1.068 14 S CA 1.664 59.947 58.200 0.139 0.000 0.995 14 S CB 2.661 65.949 63.200 0.146 0.000 0.944 14 S HN 0.270 8.571 8.310 0.108 0.073 0.529 15 C N 1.160 120.575 119.300 0.190 0.000 3.284 15 C HA 0.181 4.857 4.460 0.361 0.000 0.118 15 C C -0.046 175.057 174.990 0.189 0.000 2.641 15 C CA 1.035 60.205 59.018 0.253 0.000 0.912 15 C CB 1.279 29.148 27.740 0.214 0.000 1.535 15 C HN -0.546 7.774 8.230 0.150 0.000 0.649 16 R N 0.574 121.166 120.500 0.153 0.000 2.080 16 R HA -0.374 4.063 4.340 0.162 0.000 0.236 16 R C 2.078 178.466 176.300 0.146 0.000 1.137 16 R CA 4.524 60.731 56.100 0.179 0.000 0.943 16 R CB -0.155 30.309 30.300 0.274 0.000 0.846 16 R HN 0.401 8.749 8.270 0.130 0.000 0.431 17 S N -1.299 114.478 115.700 0.128 0.000 2.383 17 S HA -0.346 4.187 4.470 0.104 0.000 0.227 17 S C 1.787 176.446 174.600 0.098 0.000 1.026 17 S CA 3.298 61.569 58.200 0.119 0.000 0.981 17 S CB -0.596 62.681 63.200 0.128 0.000 0.818 17 S HN -0.532 7.853 8.310 0.126 0.000 0.472 18 Q N 3.292 123.158 119.800 0.110 0.000 2.020 18 Q HA -0.271 4.134 4.340 0.109 0.000 0.202 18 Q C 2.766 178.806 176.000 0.066 0.000 0.982 18 Q CA 3.029 58.892 55.803 0.100 0.000 0.838 18 Q CB -0.500 28.304 28.738 0.110 0.000 0.899 18 Q HN -0.132 8.211 8.270 0.121 0.000 0.423 19 M N -1.295 118.359 119.600 0.091 0.000 2.108 19 M HA -0.474 4.032 4.480 0.043 0.000 0.261 19 M C 2.206 178.568 176.300 0.104 0.000 1.066 19 M CA 4.221 59.583 55.300 0.104 0.000 1.107 19 M CB -0.234 32.485 32.600 0.198 0.000 1.356 19 M HN 0.235 8.601 8.290 0.127 0.000 0.406 20 A N -1.119 121.687 122.820 -0.024 0.000 1.902 20 A HA -0.405 3.890 4.320 -0.041 0.000 0.217 20 A C 1.372 178.652 177.584 -0.506 0.000 1.181 20 A CA 3.503 55.342 52.037 -0.329 0.000 0.623 20 A CB -0.983 17.557 19.000 -0.765 0.000 0.818 20 A HN 0.422 8.566 8.150 -0.010 0.000 0.443 21 E N -0.588 119.426 120.200 -0.309 0.000 2.085 21 E HA -0.421 4.025 4.350 0.160 0.000 0.194 21 E C 2.133 178.745 176.600 0.019 0.000 0.994 21 E CA 2.874 59.287 56.400 0.022 0.000 0.801 21 E CB -0.246 29.566 29.700 0.187 0.000 0.743 21 E HN -0.054 8.181 8.360 -0.208 0.000 0.453 22 G N -1.326 107.453 108.800 -0.036 0.000 2.491 22 G HA2 -0.334 3.562 3.960 -0.108 0.000 0.218 22 G HA3 -0.334 3.500 3.960 -0.211 0.000 0.218 22 G C 1.329 176.141 174.900 -0.146 0.000 1.180 22 G CA 1.939 46.962 45.100 -0.129 0.000 0.774 22 G HN -0.326 7.864 8.290 -0.033 0.080 0.562 23 W N 1.541 122.811 121.300 -0.050 0.000 2.381 23 W HA -0.358 4.242 4.660 -0.100 0.000 0.301 23 W C 1.769 178.321 176.519 0.054 0.000 1.205 23 W CA 2.797 60.136 57.345 -0.010 0.000 1.285 23 W CB -0.143 29.382 29.460 0.109 0.000 1.133 23 W HN -0.239 7.998 8.180 0.096 0.000 0.521 24 A N -1.172 121.822 122.820 0.290 0.000 1.902 24 A HA -0.485 4.072 4.320 0.395 0.000 0.217 24 A C 1.722 179.427 177.584 0.201 0.000 1.181 24 A CA 3.168 55.381 52.037 0.293 0.000 0.623 24 A CB -0.913 18.292 19.000 0.342 0.000 0.818 24 A HN 0.710 8.966 8.150 0.177 0.000 0.443 25 K N -3.139 117.335 120.400 0.123 0.000 2.074 25 K HA -0.432 3.940 4.320 0.088 0.000 0.209 25 K C 2.586 179.204 176.600 0.031 0.000 1.048 25 K CA 3.513 59.838 56.287 0.064 0.000 0.926 25 K CB -0.347 32.159 32.500 0.009 0.000 0.713 25 K HN 0.053 8.369 8.250 0.109 0.000 0.444 26 Q N -2.067 117.714 119.800 -0.032 0.000 1.965 26 Q HA -0.219 4.065 4.340 -0.093 0.000 0.200 26 Q C 3.218 179.187 176.000 -0.052 0.000 0.981 26 Q CA 2.439 58.164 55.803 -0.130 0.000 0.834 26 Q CB -0.549 27.986 28.738 -0.338 0.000 0.900 26 Q HN -0.710 7.439 8.270 -0.030 0.104 0.426 27 Y N -0.364 120.010 120.300 0.124 0.000 2.242 27 Y HA -0.237 4.369 4.550 0.093 0.000 0.291 27 Y C 2.529 178.458 175.900 0.047 0.000 1.137 27 Y CA 2.656 60.812 58.100 0.095 0.000 1.181 27 Y CB 0.054 38.580 38.460 0.111 0.000 0.989 27 Y HN -0.367 7.911 8.280 -0.004 0.000 0.527 28 L N -5.840 115.487 121.223 0.172 0.000 2.552 28 L HA -0.164 4.164 4.340 -0.020 0.000 0.227 28 L C 0.863 177.854 176.870 0.202 0.000 1.146 28 L CA 0.119 54.988 54.840 0.048 0.000 0.858 28 L CB -0.439 41.521 42.059 -0.165 0.000 0.969 28 L HN 0.216 8.568 8.230 0.204 0.000 0.451 29 G N -1.179 107.714 108.800 0.155 0.000 2.258 29 G HA2 -0.481 3.533 3.960 0.091 0.000 0.274 29 G HA3 -0.481 3.563 3.960 0.140 0.000 0.274 29 G C -0.127 174.858 174.900 0.142 0.000 1.021 29 G CA 0.796 45.976 45.100 0.133 0.000 0.798 29 G HN -0.524 7.666 8.290 0.128 0.177 0.507 30 D N -4.310 116.184 120.400 0.157 0.000 3.067 30 D HA -0.545 4.312 4.640 0.152 -0.126 0.216 30 D C 0.476 176.888 176.300 0.186 0.000 1.162 30 D CA 1.892 55.980 54.000 0.146 0.000 0.960 30 D CB -0.525 40.320 40.800 0.074 0.000 1.129 30 D HN -0.097 8.331 8.370 0.156 0.035 0.408 31 E N -5.397 114.968 120.200 0.274 0.000 2.515 31 E HA -0.178 4.395 4.350 0.109 -0.157 0.201 31 E C -0.885 175.825 176.600 0.183 0.000 1.071 31 E CA 1.499 58.033 56.400 0.225 0.000 0.880 31 E CB 0.374 30.218 29.700 0.241 0.000 0.828 31 E HN -0.395 8.064 8.360 0.317 0.092 0.540 32 W N -3.885 117.451 121.300 0.060 0.000 2.715 32 W HA 0.209 4.959 4.660 0.062 -0.053 0.331 32 W C -1.157 175.380 176.519 0.030 0.000 1.031 32 W CA -2.720 54.666 57.345 0.070 0.000 1.237 32 W CB 1.481 31.018 29.460 0.128 0.000 1.378 32 W HN -0.790 7.575 8.180 0.498 0.114 0.454 33 K N 4.507 125.016 120.400 0.182 0.000 2.245 33 K HA -0.017 4.267 4.320 -0.060 0.000 0.281 33 K C -0.532 176.021 176.600 -0.078 0.000 1.079 33 K CA -0.801 55.491 56.287 0.008 0.000 1.000 33 K CB -1.250 31.297 32.500 0.078 0.000 1.038 33 K HN 0.800 9.027 8.250 0.172 0.126 0.430 34 V N 5.636 125.470 119.914 -0.134 0.000 2.583 34 V HA -0.025 4.287 4.120 0.127 -0.116 0.287 34 V C -0.010 175.903 176.094 -0.303 0.000 1.051 34 V CA 0.555 62.842 62.300 -0.023 0.000 1.010 34 V CB 0.523 32.420 31.823 0.124 0.000 0.988 34 V HN -0.214 7.918 8.190 -0.097 0.000 0.478 35 Y N 4.713 125.136 120.300 0.205 0.000 2.655 35 Y HA 0.207 5.005 4.550 0.206 -0.124 0.336 35 Y C -1.298 174.865 175.900 0.439 0.000 1.154 35 Y CA -1.323 56.922 58.100 0.242 0.000 1.055 35 Y CB 4.940 43.444 38.460 0.074 0.000 1.295 35 Y HN 0.238 8.703 8.280 0.309 0.000 0.465 36 S N -1.223 114.838 115.700 0.602 0.000 2.588 36 S HA 0.906 5.855 4.470 0.414 -0.230 0.275 36 S C -1.964 172.802 174.600 0.276 0.000 1.130 36 S CA -1.386 57.068 58.200 0.423 0.000 0.855 36 S CB 3.920 67.316 63.200 0.325 0.000 1.116 36 S HN -0.086 8.552 8.310 0.555 0.005 0.472 37 A N -1.898 120.908 122.820 -0.024 0.000 2.588 37 A HA 0.655 5.154 4.320 0.037 -0.156 0.309 37 A C -2.263 175.246 177.584 -0.124 0.000 1.173 37 A CA -0.501 51.489 52.037 -0.078 0.000 0.631 37 A CB 2.078 20.990 19.000 -0.147 0.000 1.364 37 A HN 0.730 8.815 8.150 -0.108 0.000 0.526 38 G N -3.830 104.907 108.800 -0.106 0.000 2.430 38 G HA2 0.301 4.229 3.960 -0.113 0.000 0.300 38 G HA3 0.301 4.280 3.960 -0.040 -0.043 0.300 38 G C -0.847 174.019 174.900 -0.058 0.000 1.330 38 G CA 0.295 45.347 45.100 -0.080 0.000 0.813 38 G HN -0.390 7.849 8.290 -0.085 0.000 0.487 39 I N -0.399 120.149 120.570 -0.037 0.000 2.423 39 I HA -0.363 3.792 4.170 -0.025 0.000 0.254 39 I C -0.461 175.647 176.117 -0.015 0.000 1.151 39 I CA 3.097 64.385 61.300 -0.020 0.000 1.421 39 I CB 0.502 38.498 38.000 -0.007 0.000 1.079 39 I HN 0.037 8.227 8.210 -0.032 0.000 0.431 40 E N -4.983 115.208 120.200 -0.015 0.000 2.458 40 E HA 0.190 4.496 4.350 -0.075 0.000 0.278 40 E C -2.389 174.168 176.600 -0.072 0.000 1.004 40 E CA -1.716 54.655 56.400 -0.048 0.000 0.823 40 E CB 3.199 32.905 29.700 0.009 0.000 1.396 40 E HN -0.567 7.748 8.360 -0.010 0.040 0.463 41 A N -0.208 122.495 122.820 -0.196 0.000 2.517 41 A HA 0.398 4.697 4.320 -0.036 0.000 0.297 41 A C -1.250 176.109 177.584 -0.375 0.000 1.050 41 A CA -0.093 51.853 52.037 -0.151 0.000 0.694 41 A CB 2.316 21.268 19.000 -0.079 0.000 1.277 41 A HN 0.138 8.068 8.150 -0.366 0.000 0.400 42 H N 0.841 119.935 119.070 0.040 0.000 3.007 42 H HA 0.119 4.693 4.556 0.031 0.000 0.251 42 H C -0.279 175.071 175.328 0.036 0.000 1.188 42 H CA -0.078 55.990 56.048 0.035 0.000 1.017 42 H CB 1.448 31.229 29.762 0.032 0.000 1.805 42 H HN 0.688 9.023 8.280 0.091 0.000 0.659 43 G N -1.456 107.407 108.800 0.105 0.000 2.612 43 G HA2 -0.272 3.726 3.960 0.064 0.000 0.686 43 G HA3 -0.272 3.736 3.960 0.080 0.000 0.686 43 G C -2.398 172.555 174.900 0.088 0.000 1.274 43 G CA -0.846 44.304 45.100 0.083 0.000 0.849 43 G HN -0.333 7.999 8.290 0.070 0.000 0.595 44 L N -2.468 118.797 121.223 0.071 0.000 2.357 44 L HA 0.257 4.761 4.340 0.101 -0.103 0.273 44 L C -1.843 175.064 176.870 0.062 0.000 1.080 44 L CA -0.910 53.976 54.840 0.077 0.000 0.803 44 L CB 1.341 43.440 42.059 0.066 0.000 1.174 44 L HN 0.030 8.294 8.230 0.057 0.000 0.443 45 N N 2.121 120.871 118.700 0.083 0.000 2.497 45 N HA 0.219 4.985 4.740 0.043 0.000 0.268 45 N C -0.356 175.108 175.510 -0.076 0.000 1.171 45 N CA -1.429 51.645 53.050 0.039 0.000 0.948 45 N CB 1.838 40.414 38.487 0.149 0.000 1.069 45 N HN 0.226 8.588 8.380 0.131 0.096 0.460 46 P HA -0.277 4.071 4.420 -0.121 0.000 0.217 46 P C 0.864 177.998 177.300 -0.277 0.000 1.148 46 P CA 2.418 65.419 63.100 -0.165 0.000 0.828 46 P CB 0.325 31.934 31.700 -0.152 0.000 0.783 47 N N -2.457 115.952 118.700 -0.485 0.000 2.270 47 N HA -0.220 4.242 4.740 -0.463 0.000 0.181 47 N C 1.818 177.026 175.510 -0.504 0.000 1.016 47 N CA 3.024 55.658 53.050 -0.693 0.000 0.870 47 N CB -0.261 37.336 38.487 -1.484 0.000 0.979 47 N HN 0.416 8.845 8.380 -0.503 -0.351 0.431 48 A N 1.531 124.113 122.820 -0.397 0.000 1.902 48 A HA -0.211 4.302 4.320 0.322 0.000 0.217 48 A C 1.846 179.459 177.584 0.048 0.000 1.181 48 A CA 2.890 54.980 52.037 0.088 0.000 0.623 48 A CB -0.523 18.614 19.000 0.229 0.000 0.818 48 A HN -0.437 7.324 8.150 -0.436 0.127 0.443 49 V N -0.705 119.192 119.914 -0.029 0.000 2.255 49 V HA -0.642 3.464 4.120 -0.023 0.000 0.247 49 V C 2.089 178.165 176.094 -0.029 0.000 1.051 49 V CA 5.170 67.448 62.300 -0.037 0.000 1.018 49 V CB -0.609 31.178 31.823 -0.059 0.000 0.641 49 V HN -0.141 8.009 8.190 -0.068 0.000 0.445 50 K N -0.871 119.494 120.400 -0.059 0.000 2.063 50 K HA -0.435 3.851 4.320 -0.056 0.000 0.208 50 K C 2.293 179.016 176.600 0.204 0.000 1.048 50 K CA 3.589 59.858 56.287 -0.031 0.000 0.928 50 K CB -0.270 32.038 32.500 -0.319 0.000 0.713 50 K HN -0.104 8.069 8.250 -0.129 0.000 0.442 51 A N -0.573 122.452 122.820 0.342 0.000 1.883 51 A HA -0.260 4.312 4.320 0.420 0.000 0.217 51 A C 2.726 180.397 177.584 0.145 0.000 1.186 51 A CA 3.131 55.372 52.037 0.339 0.000 0.624 51 A CB -0.653 18.558 19.000 0.352 0.000 0.822 51 A HN 0.287 8.503 8.150 0.298 0.113 0.444 52 M N -2.381 117.244 119.600 0.041 0.000 2.175 52 M HA -0.232 4.108 4.480 -0.234 0.000 0.264 52 M C 2.591 178.819 176.300 -0.121 0.000 1.063 52 M CA 0.917 56.140 55.300 -0.128 0.000 1.119 52 M CB -1.215 31.285 32.600 -0.168 0.000 1.377 52 M HN -0.099 8.231 8.290 0.066 0.000 0.415 53 K N 0.343 120.715 120.400 -0.046 0.000 2.209 53 K HA -0.195 4.198 4.320 -0.074 -0.118 0.204 53 K C 2.588 179.184 176.600 -0.007 0.000 1.048 53 K CA 2.389 58.651 56.287 -0.041 0.000 0.940 53 K CB -0.537 31.945 32.500 -0.030 0.000 0.729 53 K HN 0.103 8.278 8.250 -0.017 0.065 0.451 54 E N -2.944 117.289 120.200 0.055 0.000 2.338 54 E HA -0.216 4.183 4.350 0.081 0.000 0.197 54 E C 1.042 177.668 176.600 0.043 0.000 1.007 54 E CA 1.956 58.410 56.400 0.089 0.000 0.849 54 E CB 0.270 30.084 29.700 0.190 0.000 0.774 54 E HN -0.344 7.937 8.360 0.091 0.134 0.506 55 V N -7.532 112.369 119.914 -0.021 0.000 3.528 55 V HA 0.213 4.347 4.120 0.023 0.000 0.294 55 V C -0.006 176.010 176.094 -0.130 0.000 1.404 55 V CA -0.740 61.527 62.300 -0.055 0.000 1.065 55 V CB 0.633 32.406 31.823 -0.083 0.000 0.904 55 V HN -0.590 7.402 8.190 -0.061 0.161 0.435 56 G N -0.052 108.674 108.800 -0.123 0.000 2.165 56 G HA2 -0.387 3.522 3.960 -0.085 0.000 0.226 56 G HA3 -0.387 3.518 3.960 -0.091 0.000 0.226 56 G C -0.841 173.957 174.900 -0.171 0.000 1.035 56 G CA 0.382 45.413 45.100 -0.115 0.000 0.744 56 G HN -0.565 7.529 8.290 -0.101 0.136 0.501 57 I N -2.390 118.040 120.570 -0.233 0.000 2.910 57 I HA 0.212 4.246 4.170 -0.227 0.000 0.310 57 I C -2.405 173.600 176.117 -0.186 0.000 1.043 57 I CA -2.070 59.069 61.300 -0.269 0.000 1.053 57 I CB 3.338 41.049 38.000 -0.483 0.000 1.242 57 I HN -0.459 7.514 8.210 -0.225 0.101 0.452 58 D N 0.314 120.622 120.400 -0.153 0.000 2.619 58 D HA 0.210 4.792 4.640 -0.097 0.000 0.241 58 D C -0.539 175.705 176.300 -0.093 0.000 1.087 58 D CA -0.784 53.153 54.000 -0.104 0.000 0.851 58 D CB 2.350 43.106 40.800 -0.073 0.000 1.474 58 D HN 0.097 8.369 8.370 -0.164 0.000 0.478 59 I N -2.341 118.190 120.570 -0.064 0.000 4.338 59 I HA 0.505 4.658 4.170 -0.029 0.000 0.329 59 I C 0.157 176.268 176.117 -0.011 0.000 1.378 59 I CA -0.267 61.014 61.300 -0.032 0.000 1.170 59 I CB 0.576 38.562 38.000 -0.023 0.000 1.206 59 I HN 0.149 8.323 8.210 -0.059 0.000 0.432 60 S N 3.745 119.433 115.700 -0.020 0.000 2.400 60 S HA -0.397 4.070 4.470 -0.004 0.000 0.232 60 S C 1.449 176.049 174.600 -0.001 0.000 1.025 60 S CA 4.159 62.353 58.200 -0.011 0.000 0.993 60 S CB -0.522 62.666 63.200 -0.021 0.000 0.808 60 S HN 0.377 9.109 8.310 -0.033 -0.442 0.478 61 N N 0.219 118.916 118.700 -0.005 0.000 2.443 61 N HA -0.201 4.541 4.740 0.004 0.000 0.184 61 N C 0.362 175.884 175.510 0.019 0.000 1.037 61 N CA 1.697 54.749 53.050 0.003 0.000 0.896 61 N CB 0.317 38.800 38.487 -0.007 0.000 0.959 61 N HN -0.416 8.266 8.380 -0.016 -0.311 0.442 62 Q N -1.933 117.884 119.800 0.028 0.000 2.462 62 Q HA 0.235 4.611 4.340 0.061 0.000 0.395 62 Q C -1.060 174.980 176.000 0.066 0.000 0.911 62 Q CA -1.964 53.871 55.803 0.054 0.000 1.112 62 Q CB -0.731 28.043 28.738 0.059 0.000 1.350 62 Q HN -0.461 7.648 8.270 0.021 0.174 0.407 63 T N -1.077 113.509 114.554 0.054 0.000 2.923 63 T HA -0.249 4.131 4.350 0.050 0.000 0.304 63 T C 0.032 174.772 174.700 0.066 0.000 1.044 63 T CA 1.075 63.206 62.100 0.053 0.000 1.141 63 T CB 0.353 69.245 68.868 0.041 0.000 1.023 63 T HN -0.574 7.693 8.240 0.045 0.000 0.533 64 S N 5.736 121.474 115.700 0.064 0.000 2.569 64 S HA -0.033 4.660 4.470 0.087 -0.170 0.274 64 S C -0.775 173.855 174.600 0.051 0.000 1.353 64 S CA 1.309 59.548 58.200 0.066 0.000 1.023 64 S CB 0.803 64.037 63.200 0.056 0.000 0.876 64 S HN 0.232 8.579 8.310 0.061 0.000 0.540 65 D N 0.713 121.146 120.400 0.055 0.000 2.609 65 D HA 0.145 4.787 4.640 0.004 0.000 0.239 65 D C -1.370 174.945 176.300 0.026 0.000 1.229 65 D CA -1.245 52.776 54.000 0.035 0.000 0.808 65 D CB 2.908 43.745 40.800 0.062 0.000 1.448 65 D HN -0.259 8.372 8.370 0.071 -0.219 0.433 66 I N -3.258 117.311 120.570 -0.002 0.000 3.138 66 I HA 0.195 4.486 4.170 -0.022 -0.134 0.288 66 I C 0.271 176.408 176.117 0.034 0.000 1.148 66 I CA -1.291 60.005 61.300 -0.007 0.000 1.315 66 I CB 0.468 38.453 38.000 -0.026 0.000 1.426 66 I HN -0.085 8.120 8.210 -0.008 0.000 0.615 67 I N 0.106 120.688 120.570 0.020 0.000 2.815 67 I HA -0.347 3.929 4.170 0.177 0.000 0.291 67 I C 0.029 176.204 176.117 0.098 0.000 1.209 67 I CA 1.496 62.845 61.300 0.083 0.000 1.431 67 I CB -0.024 37.987 38.000 0.017 0.000 1.351 67 I HN -0.330 7.872 8.210 -0.014 0.000 0.585 68 D N 6.358 126.843 120.400 0.142 0.000 2.819 68 D HA 0.287 4.940 4.640 0.023 0.000 0.232 68 D C 0.180 176.478 176.300 -0.004 0.000 1.160 68 D CA -0.960 53.061 54.000 0.035 0.000 0.858 68 D CB 3.210 44.002 40.800 -0.013 0.000 1.610 68 D HN -0.120 8.428 8.370 0.298 0.000 0.481 69 S N 4.857 120.544 115.700 -0.022 0.000 2.400 69 S HA -0.350 4.113 4.470 -0.012 0.000 0.232 69 S C 1.437 175.986 174.600 -0.085 0.000 1.025 69 S CA 3.055 61.234 58.200 -0.035 0.000 0.993 69 S CB 0.108 63.291 63.200 -0.028 0.000 0.808 69 S HN 0.630 8.931 8.310 -0.015 0.000 0.478 70 D N 0.436 120.760 120.400 -0.127 0.000 2.348 70 D HA -0.118 4.448 4.640 -0.123 0.000 0.216 70 D C 0.435 176.566 176.300 -0.282 0.000 0.970 70 D CA 2.360 56.258 54.000 -0.171 0.000 0.889 70 D CB 0.164 40.864 40.800 -0.166 0.000 0.912 70 D HN -0.146 8.489 8.370 -0.115 -0.334 0.524 71 I N -3.241 117.098 120.570 -0.385 0.000 4.033 71 I HA 0.023 3.878 4.170 -0.526 0.000 0.296 71 I C 1.328 177.199 176.117 -0.409 0.000 1.210 71 I CA 1.450 62.372 61.300 -0.629 0.000 1.341 71 I CB 1.562 38.792 38.000 -1.282 0.000 1.369 71 I HN -0.576 7.398 8.210 -0.297 0.058 0.453 72 L N 0.712 121.844 121.223 -0.152 0.000 2.042 72 L HA -0.309 4.182 4.340 0.252 0.000 0.210 72 L C 1.040 177.930 176.870 0.034 0.000 1.076 72 L CA 3.845 58.742 54.840 0.095 0.000 0.749 72 L CB -0.434 41.727 42.059 0.171 0.000 0.893 72 L HN 0.024 8.182 8.230 -0.121 0.000 0.432 73 N N -5.164 113.529 118.700 -0.011 0.000 2.280 73 N HA -0.105 4.661 4.740 0.044 0.000 0.192 73 N C -0.191 175.318 175.510 -0.000 0.000 1.109 73 N CA 0.603 53.658 53.050 0.008 0.000 0.855 73 N CB 0.864 39.348 38.487 -0.006 0.000 0.974 73 N HN -0.551 7.805 8.380 -0.040 0.000 0.482 74 N N -0.668 118.006 118.700 -0.043 0.000 2.325 74 N HA 0.029 4.758 4.740 -0.017 0.000 0.220 74 N C -0.431 175.057 175.510 -0.038 0.000 1.176 74 N CA 0.363 53.384 53.050 -0.047 0.000 0.861 74 N CB 2.028 40.460 38.487 -0.093 0.000 1.230 74 N HN -0.471 7.658 8.380 -0.080 0.203 0.479 75 A N 0.878 123.661 122.820 -0.060 0.000 2.546 75 A HA -0.235 4.087 4.320 0.004 0.000 0.243 75 A C -0.832 176.768 177.584 0.028 0.000 1.063 75 A CA 0.890 52.917 52.037 -0.017 0.000 0.757 75 A CB 0.334 19.313 19.000 -0.036 0.000 0.991 75 A HN -0.137 7.954 8.150 -0.099 0.000 0.503 76 D N 2.195 122.627 120.400 0.053 0.000 2.219 76 D HA -0.148 4.509 4.640 0.028 0.000 0.205 76 D C -0.336 176.022 176.300 0.097 0.000 0.970 76 D CA 2.390 56.424 54.000 0.057 0.000 0.851 76 D CB 1.010 41.828 40.800 0.029 0.000 0.943 76 D HN 0.075 8.378 8.370 0.072 0.111 0.488 77 L N -4.823 116.467 121.223 0.111 0.000 2.472 77 L HA 0.400 4.922 4.340 0.054 -0.149 0.260 77 L C -2.618 174.233 176.870 -0.032 0.000 0.963 77 L CA -0.626 54.253 54.840 0.065 0.000 0.829 77 L CB 3.916 46.061 42.059 0.143 0.000 1.348 77 L HN -0.900 7.359 8.230 0.107 0.036 0.408 78 V N 3.876 123.752 119.914 -0.063 0.000 2.715 78 V HA 0.628 4.853 4.120 -0.113 -0.173 0.310 78 V C -1.527 174.436 176.094 -0.217 0.000 1.054 78 V CA -2.307 59.933 62.300 -0.100 0.000 0.928 78 V CB 3.241 35.069 31.823 0.009 0.000 1.007 78 V HN 0.297 8.463 8.190 -0.040 0.000 0.437 79 V N 5.191 124.918 119.914 -0.311 0.000 2.577 79 V HA 0.425 4.550 4.120 -0.315 -0.193 0.303 79 V C -0.837 175.135 176.094 -0.204 0.000 1.042 79 V CA -1.351 60.736 62.300 -0.354 0.000 0.872 79 V CB 3.227 34.686 31.823 -0.607 0.000 0.998 79 V HN 0.730 8.724 8.190 -0.327 0.000 0.423 80 T N 4.559 119.029 114.554 -0.140 0.000 2.795 80 T HA 0.607 5.085 4.350 -0.091 -0.182 0.282 80 T C -0.034 174.572 174.700 -0.157 0.000 0.980 80 T CA -1.798 60.249 62.100 -0.089 0.000 1.012 80 T CB 1.577 70.444 68.868 -0.001 0.000 0.936 80 T HN 0.774 8.943 8.240 -0.119 0.000 0.457 81 L N 3.091 124.218 121.223 -0.160 0.000 2.818 81 L HA 0.468 4.591 4.340 -0.498 -0.081 0.243 81 L C -0.427 176.233 176.870 -0.351 0.000 1.185 81 L CA -1.001 53.650 54.840 -0.315 0.000 0.988 81 L CB -0.505 41.505 42.059 -0.083 0.000 1.292 81 L HN 0.335 8.512 8.230 -0.090 0.000 0.519 82 c N -1.797 116.679 118.600 -0.207 0.000 2.657 82 c HA 0.397 5.062 4.570 -0.078 -0.141 0.404 82 c C 0.903 174.912 174.090 -0.137 0.000 1.369 82 c CA -1.242 55.026 56.329 -0.101 0.000 1.665 82 c CB -1.614 40.902 42.510 0.010 0.000 2.453 82 c HN -0.223 7.836 8.230 -0.150 0.081 0.599 83 G N 3.277 112.006 108.800 -0.118 0.000 5.364 83 G HA2 0.066 4.020 3.960 -0.011 0.000 0.220 83 G HA3 0.066 3.912 3.960 -0.131 0.035 0.220 83 G C -2.403 172.481 174.900 -0.027 0.000 0.838 83 G CA -0.042 45.015 45.100 -0.072 0.000 0.727 83 G HN 0.160 8.396 8.290 -0.089 0.000 0.303 84 D N -1.243 119.144 120.400 -0.022 0.000 2.592 84 D HA 0.151 4.905 4.640 -0.033 -0.133 0.259 84 D C -0.248 176.038 176.300 -0.023 0.000 1.144 84 D CA -1.916 52.070 54.000 -0.023 0.000 1.080 84 D CB 1.742 42.532 40.800 -0.016 0.000 1.225 84 D HN -0.857 7.499 8.370 -0.023 0.000 0.619 85 A N -0.906 121.895 122.820 -0.032 0.000 2.070 85 A HA -0.262 4.042 4.320 -0.027 0.000 0.220 85 A C 0.236 177.812 177.584 -0.013 0.000 1.159 85 A CA 2.094 54.116 52.037 -0.026 0.000 0.656 85 A CB 0.029 19.009 19.000 -0.033 0.000 0.800 85 A HN 0.319 8.597 8.150 -0.043 -0.154 0.453 86 A N -4.212 118.604 122.820 -0.007 0.000 1.993 86 A HA 0.068 4.388 4.320 -0.001 0.000 0.207 86 A C -0.731 176.854 177.584 0.001 0.000 1.224 86 A CA -0.098 51.938 52.037 -0.000 0.000 0.749 86 A CB 1.388 20.391 19.000 0.005 0.000 0.884 86 A HN -0.092 8.390 8.150 -0.009 -0.338 0.467 87 D N -4.019 116.381 120.400 0.001 0.000 2.751 87 D HA -0.315 4.439 4.640 0.007 -0.110 0.233 87 D C 0.283 176.588 176.300 0.009 0.000 1.149 87 D CA 0.980 54.984 54.000 0.007 0.000 0.682 87 D CB -1.071 39.735 40.800 0.010 0.000 1.068 87 D HN -0.384 8.449 8.370 -0.002 -0.464 0.429 88 K N -3.567 116.836 120.400 0.006 0.000 2.280 88 K HA -0.199 4.122 4.320 0.002 0.000 0.202 88 K C -0.453 176.148 176.600 0.002 0.000 1.047 88 K CA 0.409 56.698 56.287 0.003 0.000 0.942 88 K CB -0.595 31.907 32.500 0.004 0.000 0.739 88 K HN 0.227 8.458 8.250 0.005 0.022 0.457 89 c N -1.682 116.922 118.600 0.006 0.000 2.173 89 c HA -0.149 4.429 4.570 0.013 0.000 0.223 89 c C -2.251 171.835 174.090 -0.007 0.000 1.081 89 c CA -1.457 54.877 56.329 0.009 0.000 2.927 89 c CB -2.424 40.100 42.510 0.023 0.000 1.723 89 c HN 0.043 8.239 8.230 0.008 0.039 0.305 90 P HA -0.157 4.248 4.420 -0.026 0.000 0.263 90 P C -1.257 176.025 177.300 -0.029 0.000 1.175 90 P CA -0.007 63.072 63.100 -0.034 0.000 0.761 90 P CB 0.636 32.297 31.700 -0.065 0.000 0.794 91 M N 1.609 121.197 119.600 -0.021 0.000 2.248 91 M HA -0.034 4.440 4.480 -0.010 0.000 0.337 91 M C 0.253 176.547 176.300 -0.009 0.000 1.121 91 M CA 1.071 56.364 55.300 -0.012 0.000 1.155 91 M CB 0.389 32.986 32.600 -0.006 0.000 1.514 91 M HN 0.100 8.379 8.290 -0.019 0.000 0.452 92 T N -0.340 114.214 114.554 0.001 0.000 2.906 92 T HA 0.442 4.806 4.350 0.024 0.000 0.295 92 T C -2.114 172.602 174.700 0.027 0.000 1.075 92 T CA -3.608 58.502 62.100 0.016 0.000 1.005 92 T CB 1.622 70.495 68.868 0.010 0.000 1.136 92 T HN -0.202 8.038 8.240 -0.000 0.000 0.498 93 P HA 0.222 4.667 4.420 0.041 0.000 0.276 93 P C -0.399 176.938 177.300 0.061 0.000 1.230 93 P CA -1.417 61.715 63.100 0.053 0.000 0.776 93 P CB -0.437 31.304 31.700 0.067 0.000 0.888 94 P HA -0.070 4.371 4.420 0.034 0.000 0.225 94 P C 0.079 177.425 177.300 0.076 0.000 1.156 94 P CA 1.531 64.664 63.100 0.054 0.000 0.787 94 P CB 0.296 32.023 31.700 0.045 0.000 0.802 95 H N -1.878 117.195 119.070 0.006 0.000 2.491 95 H HA -0.101 4.459 4.556 0.007 0.000 0.290 95 H C 0.252 175.586 175.328 0.010 0.000 1.050 95 H CA 1.197 57.249 56.048 0.007 0.000 1.309 95 H CB 0.190 29.953 29.762 0.003 0.000 1.392 95 H HN -0.212 8.153 8.280 0.198 0.033 0.554 96 V N -0.373 119.557 119.914 0.026 0.000 2.539 96 V HA 0.044 4.130 4.120 -0.056 0.000 0.292 96 V C -0.912 175.172 176.094 -0.016 0.000 1.045 96 V CA -0.992 61.306 62.300 -0.004 0.000 0.945 96 V CB 0.840 32.697 31.823 0.056 0.000 0.993 96 V HN -0.776 7.417 8.190 0.079 0.045 0.464 97 K N 6.059 126.448 120.400 -0.018 0.000 2.448 97 K HA -0.189 4.131 4.320 -0.001 0.000 0.278 97 K C -1.155 175.453 176.600 0.013 0.000 1.009 97 K CA 1.082 57.372 56.287 0.006 0.000 0.995 97 K CB 0.656 33.174 32.500 0.030 0.000 0.917 97 K HN 0.430 8.666 8.250 -0.023 0.000 0.481 98 R N 3.523 124.032 120.500 0.014 0.000 2.795 98 R HA 0.832 5.376 4.340 -0.029 -0.222 0.275 98 R C -1.132 175.178 176.300 0.017 0.000 0.981 98 R CA -1.415 54.684 56.100 -0.002 0.000 0.917 98 R CB 3.362 33.664 30.300 0.002 0.000 1.202 98 R HN 0.200 8.484 8.270 0.023 0.000 0.469 99 E N 1.542 121.728 120.200 -0.023 0.000 2.336 99 E HA 0.299 4.725 4.350 0.128 0.000 0.267 99 E C -2.397 174.238 176.600 0.059 0.000 0.906 99 E CA -1.646 54.773 56.400 0.031 0.000 0.781 99 E CB 4.481 34.130 29.700 -0.084 0.000 1.261 99 E HN 0.398 8.705 8.360 -0.090 0.000 0.436 100 H N 2.440 121.568 119.070 0.097 0.000 3.013 100 H HA 0.499 5.242 4.556 -0.016 -0.196 0.326 100 H C -0.533 174.946 175.328 0.252 0.000 0.973 100 H CA -0.735 55.358 56.048 0.076 0.000 1.369 100 H CB 1.831 31.611 29.762 0.030 0.000 1.598 100 H HN 0.460 8.957 8.280 0.361 0.000 0.518 101 W N 7.960 128.919 121.300 -0.569 0.000 1.817 101 W HA 0.233 4.654 4.660 -0.399 0.000 0.289 101 W C -0.690 175.136 176.519 -1.154 0.000 0.841 101 W CA -2.983 54.011 57.345 -0.584 0.000 2.216 101 W CB -0.396 28.895 29.460 -0.281 0.000 2.396 101 W HN 0.874 8.894 8.180 -0.266 0.000 0.421 102 G N 0.989 109.220 108.800 -0.948 0.000 2.378 102 G HA2 0.031 3.526 3.960 -0.835 0.000 0.255 102 G HA3 0.031 3.699 3.960 -0.595 -0.064 0.255 102 G C -1.788 172.716 174.900 -0.660 0.000 1.270 102 G CA 0.193 44.800 45.100 -0.821 0.000 0.876 102 G HN -0.090 7.588 8.290 -1.020 0.000 0.521 103 F N -0.415 119.498 119.950 -0.062 0.000 2.713 103 F HA 0.189 4.688 4.527 -0.047 0.000 0.311 103 F C -2.199 173.566 175.800 -0.059 0.000 1.141 103 F CA -2.387 55.584 58.000 -0.049 0.000 0.939 103 F CB 1.703 40.681 39.000 -0.037 0.000 1.325 103 F HN -0.396 7.577 8.300 -0.621 -0.045 0.453 104 D N -0.178 120.320 120.400 0.164 0.000 2.414 104 D HA -0.232 4.487 4.640 0.002 -0.079 0.242 104 D C -0.458 175.854 176.300 0.020 0.000 1.129 104 D CA -0.455 53.555 54.000 0.017 0.000 0.885 104 D CB 0.964 41.693 40.800 -0.118 0.000 1.198 104 D HN -0.104 8.359 8.370 0.155 0.000 0.437 105 D N 2.760 123.142 120.400 -0.028 0.000 2.417 105 D HA 0.001 4.630 4.640 -0.018 0.000 0.250 105 D C 0.240 176.414 176.300 -0.209 0.000 1.166 105 D CA -1.698 52.262 54.000 -0.067 0.000 0.881 105 D CB 0.901 41.680 40.800 -0.035 0.000 1.164 105 D HN 0.269 8.615 8.370 -0.041 0.000 0.467 106 P HA -0.086 4.112 4.420 -0.371 0.000 0.222 106 P C 0.547 177.514 177.300 -0.556 0.000 1.147 106 P CA 1.494 64.200 63.100 -0.657 0.000 0.790 106 P CB 0.152 31.096 31.700 -1.260 0.000 0.780 107 A N -0.813 121.808 122.820 -0.331 0.000 2.172 107 A HA -0.212 4.300 4.320 0.319 0.000 0.216 107 A C 0.302 177.908 177.584 0.036 0.000 1.154 107 A CA 2.126 54.217 52.037 0.090 0.000 0.701 107 A CB -0.615 18.511 19.000 0.210 0.000 0.789 107 A HN 0.337 8.604 8.150 -0.331 -0.316 0.465 108 R N -4.555 115.911 120.500 -0.056 0.000 2.437 108 R HA 0.161 4.490 4.340 -0.018 0.000 0.257 108 R C -0.418 175.811 176.300 -0.118 0.000 0.927 108 R CA -1.331 54.734 56.100 -0.058 0.000 1.078 108 R CB 0.586 30.852 30.300 -0.057 0.000 1.161 108 R HN 0.111 8.119 8.270 -0.124 0.187 0.529 109 A N 1.314 124.030 122.820 -0.174 0.000 3.046 109 A HA 0.071 4.133 4.320 -0.429 0.000 0.259 109 A C -0.748 176.777 177.584 -0.098 0.000 1.843 109 A CA -0.592 51.269 52.037 -0.294 0.000 1.451 109 A CB -1.632 17.114 19.000 -0.424 0.000 1.025 109 A HN -0.819 7.069 8.150 -0.151 0.171 0.625 110 Q N 0.331 120.091 119.800 -0.068 0.000 2.315 110 Q HA -0.353 4.003 4.340 0.028 0.000 0.289 110 Q C 0.774 176.787 176.000 0.021 0.000 1.044 110 Q CA 0.972 56.773 55.803 -0.003 0.000 0.920 110 Q CB 0.370 29.101 28.738 -0.012 0.000 1.214 110 Q HN -0.365 7.787 8.270 -0.100 0.058 0.392 111 G N 3.125 111.958 108.800 0.054 0.000 4.338 111 G HA2 -0.017 3.973 3.960 0.050 0.000 0.195 111 G HA3 -0.017 3.995 3.960 0.086 0.000 0.195 111 G C -1.541 173.403 174.900 0.074 0.000 1.164 111 G CA 0.444 45.584 45.100 0.067 0.000 0.872 111 G HN 0.349 8.674 8.290 0.059 0.000 0.301 112 T N 0.618 115.231 114.554 0.099 0.000 2.733 112 T HA 0.216 4.615 4.350 0.082 0.000 0.312 112 T C -1.101 173.680 174.700 0.135 0.000 1.590 112 T CA -1.338 60.821 62.100 0.098 0.000 1.005 112 T CB 0.791 69.710 68.868 0.086 0.000 1.528 112 T HN -0.502 7.811 8.240 0.122 0.000 0.496 113 E N 3.057 123.334 120.200 0.127 0.000 2.153 113 E HA -0.380 4.081 4.350 0.185 0.000 0.194 113 E C 1.409 178.145 176.600 0.226 0.000 0.988 113 E CA 3.218 59.714 56.400 0.160 0.000 0.811 113 E CB -0.416 29.348 29.700 0.105 0.000 0.746 113 E HN 0.605 9.024 8.360 0.099 0.000 0.466 114 E N -0.138 120.181 120.200 0.198 0.000 2.106 114 E HA -0.393 4.161 4.350 0.340 0.000 0.192 114 E C 1.877 178.623 176.600 0.243 0.000 0.984 114 E CA 2.922 59.470 56.400 0.246 0.000 0.806 114 E CB -0.171 29.630 29.700 0.169 0.000 0.750 114 E HN -0.264 8.168 8.360 0.148 0.017 0.458 115 E N -0.308 120.014 120.200 0.204 0.000 2.072 115 E HA -0.246 4.194 4.350 0.151 0.000 0.190 115 E C 2.247 179.046 176.600 0.332 0.000 0.982 115 E CA 2.578 59.111 56.400 0.222 0.000 0.803 115 E CB -0.465 29.363 29.700 0.213 0.000 0.755 115 E HN -0.715 7.650 8.360 0.184 0.105 0.453 116 K N 0.963 121.560 120.400 0.329 0.000 2.009 116 K HA -0.323 4.199 4.320 0.337 0.000 0.210 116 K C 2.056 178.999 176.600 0.572 0.000 1.049 116 K CA 3.376 59.901 56.287 0.396 0.000 0.929 116 K CB -0.134 32.587 32.500 0.369 0.000 0.714 116 K HN 0.049 8.461 8.250 0.270 0.000 0.440 117 W N -0.342 121.159 121.300 0.335 0.000 2.338 117 W HA -0.424 4.481 4.660 0.408 0.000 0.304 117 W C 1.180 177.839 176.519 0.233 0.000 1.212 117 W CA 2.519 60.037 57.345 0.289 0.000 1.264 117 W CB 0.303 29.833 29.460 0.117 0.000 1.142 117 W HN 0.215 8.616 8.180 0.551 0.109 0.512 118 A N -1.150 121.593 122.820 -0.128 0.000 1.902 118 A HA -0.349 3.584 4.320 -0.644 0.000 0.217 118 A C 2.081 179.455 177.584 -0.350 0.000 1.181 118 A CA 3.017 54.827 52.037 -0.378 0.000 0.623 118 A CB -1.048 17.791 19.000 -0.268 0.000 0.818 118 A HN 0.103 8.140 8.150 0.112 0.181 0.443 119 F N -1.979 117.914 119.950 -0.095 0.000 2.293 119 F HA -0.381 4.062 4.527 -0.141 0.000 0.300 119 F C 1.764 177.468 175.800 -0.160 0.000 1.086 119 F CA 3.935 61.859 58.000 -0.127 0.000 1.375 119 F CB -0.237 38.691 39.000 -0.121 0.000 1.045 119 F HN 0.185 8.523 8.300 0.185 0.073 0.516 120 F N -0.058 119.923 119.950 0.051 0.000 2.075 120 F HA -0.580 4.001 4.527 0.091 0.000 0.297 120 F C 1.972 177.707 175.800 -0.108 0.000 1.113 120 F CA 5.422 63.444 58.000 0.036 0.000 1.218 120 F CB -0.197 38.919 39.000 0.192 0.000 0.984 120 F HN 0.268 8.677 8.300 0.343 0.096 0.472 121 Q N -2.100 117.588 119.800 -0.186 0.000 2.167 121 Q HA -0.429 3.855 4.340 -0.092 0.000 0.202 121 Q C 2.342 178.243 176.000 -0.164 0.000 0.970 121 Q CA 3.259 58.915 55.803 -0.244 0.000 0.855 121 Q CB -0.438 27.991 28.738 -0.514 0.000 0.911 121 Q HN 0.005 8.032 8.270 -0.405 0.000 0.438 122 R N 0.685 121.057 120.500 -0.212 0.000 2.062 122 R HA -0.284 3.935 4.340 -0.202 0.000 0.231 122 R C 2.559 178.763 176.300 -0.160 0.000 1.136 122 R CA 3.421 59.399 56.100 -0.204 0.000 0.948 122 R CB 0.011 30.135 30.300 -0.294 0.000 0.845 122 R HN -0.126 7.918 8.270 -0.263 0.068 0.430 123 V N 0.017 119.854 119.914 -0.129 0.000 2.427 123 V HA -0.463 3.443 4.120 -0.356 0.000 0.248 123 V C 1.589 177.558 176.094 -0.208 0.000 1.051 123 V CA 4.187 66.344 62.300 -0.238 0.000 1.048 123 V CB -0.228 31.470 31.823 -0.209 0.000 0.666 123 V HN 0.453 8.488 8.190 -0.075 0.110 0.456 124 R N 0.397 120.888 120.500 -0.015 0.000 2.094 124 R HA -0.476 4.031 4.340 0.278 0.000 0.239 124 R C 1.612 177.948 176.300 0.060 0.000 1.137 124 R CA 4.161 60.374 56.100 0.189 0.000 0.943 124 R CB -0.418 30.055 30.300 0.289 0.000 0.850 124 R HN 0.270 8.547 8.270 0.011 0.000 0.433 125 D N -1.319 119.053 120.400 -0.046 0.000 2.117 125 D HA -0.266 4.271 4.640 -0.172 0.000 0.197 125 D C 2.127 178.222 176.300 -0.342 0.000 0.987 125 D CA 3.731 57.626 54.000 -0.175 0.000 0.829 125 D CB -0.017 40.710 40.800 -0.121 0.000 0.961 125 D HN -0.142 8.205 8.370 -0.039 0.000 0.460 126 E N -0.288 119.722 120.200 -0.316 0.000 2.072 126 E HA -0.318 3.848 4.350 -0.305 0.000 0.191 126 E C 2.730 179.083 176.600 -0.411 0.000 0.985 126 E CA 2.924 59.112 56.400 -0.352 0.000 0.801 126 E CB 0.063 29.551 29.700 -0.353 0.000 0.750 126 E HN -0.265 7.933 8.360 -0.270 0.000 0.452 127 I N 0.019 120.320 120.570 -0.448 0.000 2.127 127 I HA -0.543 3.548 4.170 -0.132 0.000 0.241 127 I C 2.016 177.846 176.117 -0.478 0.000 1.075 127 I CA 3.888 65.001 61.300 -0.311 0.000 1.334 127 I CB -0.258 37.637 38.000 -0.175 0.000 1.040 127 I HN 0.307 8.252 8.210 -0.442 0.000 0.405 128 G N -1.352 106.781 108.800 -1.113 0.000 2.476 128 G HA2 -0.493 2.553 3.960 -1.524 0.000 0.218 128 G HA3 -0.493 1.844 3.960 -2.705 0.000 0.218 128 G C 1.008 175.470 174.900 -0.730 0.000 1.164 128 G CA 2.407 46.515 45.100 -1.654 0.000 0.768 128 G HN 0.381 8.028 8.290 -1.073 0.000 0.560 129 N N 2.038 120.399 118.700 -0.565 0.000 2.069 129 N HA -0.325 4.192 4.740 -0.372 0.000 0.191 129 N C 2.253 177.552 175.510 -0.351 0.000 1.031 129 N CA 3.843 56.659 53.050 -0.390 0.000 0.852 129 N CB -0.006 38.297 38.487 -0.306 0.000 1.018 129 N HN -0.016 8.011 8.380 -0.589 0.000 0.423 130 R N -0.558 119.741 120.500 -0.335 0.000 2.115 130 R HA -0.142 3.980 4.340 -0.364 0.000 0.226 130 R C 2.460 178.703 176.300 -0.096 0.000 1.100 130 R CA 1.624 57.496 56.100 -0.380 0.000 0.980 130 R CB -0.566 29.270 30.300 -0.773 0.000 0.875 130 R HN -0.070 7.995 8.270 -0.342 0.000 0.445 131 L N 0.590 121.840 121.223 0.045 0.000 2.093 131 L HA -0.207 4.453 4.340 0.533 0.000 0.208 131 L C 1.553 178.308 176.870 -0.190 0.000 1.085 131 L CA 2.530 57.488 54.840 0.196 0.000 0.755 131 L CB -0.893 41.329 42.059 0.272 0.000 0.904 131 L HN 0.415 8.596 8.230 -0.080 0.000 0.435 132 K N 0.149 120.097 120.400 -0.753 0.000 2.009 132 K HA -0.496 2.950 4.320 -1.457 0.000 0.210 132 K C 2.037 178.411 176.600 -0.377 0.000 1.049 132 K CA 4.069 59.766 56.287 -0.983 0.000 0.929 132 K CB -0.035 31.924 32.500 -0.901 0.000 0.714 132 K HN 0.292 8.131 8.250 -0.685 0.000 0.440 133 E N -1.647 118.415 120.200 -0.229 0.000 2.106 133 E HA -0.323 3.953 4.350 -0.123 0.000 0.192 133 E C 2.791 179.394 176.600 0.005 0.000 0.984 133 E CA 2.730 59.063 56.400 -0.112 0.000 0.806 133 E CB -0.209 29.419 29.700 -0.120 0.000 0.750 133 E HN -0.330 7.867 8.360 -0.272 0.000 0.458 134 F N 1.656 121.584 119.950 -0.036 0.000 2.171 134 F HA -0.359 4.227 4.527 0.098 0.000 0.300 134 F C 0.699 176.487 175.800 -0.019 0.000 1.090 134 F CA 3.154 61.196 58.000 0.069 0.000 1.293 134 F CB 0.056 39.219 39.000 0.272 0.000 1.013 134 F HN 0.175 8.509 8.300 0.231 0.105 0.486 135 A N -1.873 120.832 122.820 -0.191 0.000 1.935 135 A HA -0.205 3.820 4.320 -0.492 0.000 0.214 135 A C 1.076 178.570 177.584 -0.149 0.000 1.178 135 A CA 2.168 54.049 52.037 -0.260 0.000 0.640 135 A CB -0.539 18.410 19.000 -0.085 0.000 0.825 135 A HN -0.251 7.763 8.150 -0.043 0.110 0.447 136 E N -2.564 117.568 120.200 -0.114 0.000 2.127 136 E HA -0.074 4.255 4.350 -0.036 0.000 0.191 136 E C 1.725 178.293 176.600 -0.053 0.000 0.964 136 E CA 2.050 58.411 56.400 -0.066 0.000 0.832 136 E CB 1.109 30.764 29.700 -0.076 0.000 0.790 136 E HN -0.023 8.256 8.360 -0.135 0.000 0.465 137 T N -6.707 107.811 114.554 -0.059 0.000 2.955 137 T HA 0.188 4.523 4.350 -0.025 0.000 0.251 137 T C 1.446 176.133 174.700 -0.021 0.000 1.002 137 T CA 0.131 62.212 62.100 -0.033 0.000 0.970 137 T CB 2.848 71.698 68.868 -0.031 0.000 1.091 137 T HN -0.017 8.062 8.240 -0.072 0.118 0.495 138 G N 3.223 111.995 108.800 -0.047 0.000 2.143 138 G HA2 -0.468 3.540 3.960 -0.178 0.000 0.249 138 G HA3 -0.468 3.489 3.960 -0.005 0.000 0.249 138 G C -0.666 174.311 174.900 0.129 0.000 0.981 138 G CA 0.362 45.447 45.100 -0.025 0.000 0.665 138 G HN -0.167 8.071 8.290 -0.086 0.000 0.528 139 K N 0.000 120.480 120.400 0.134 0.000 2.780 139 K HA 0.000 4.397 4.320 0.129 0.000 0.191 139 K CA 0.000 56.377 56.287 0.151 0.000 0.838 139 K CB 0.000 32.519 32.500 0.031 0.000 1.064 139 K HN 0.000 8.266 8.250 0.080 0.032 0.543