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 2jz4_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQKVEAGGGA GGASWDDGVH DGVRKVHVGQ GQDGVSSINV VYAKDSQDVE DATA SEQUENCE GGEHGKKTLL GFETFEVDAD DYIVAVQVTY DNVFGQDSDI ITSITFNTFK DATA SEQUENCE GKTSPPYGLE TQKKFVLKDK NGGKLVGFHG RAGEALYALG AYFATTTTPV DATA SEQUENCE TPAKKLSAIG GDEGTAWDDG AYDGVKKVYV GQGQDGISAV KFEYNKGAEN DATA SEQUENCE IVGGEHGKPT LLGFEEFEID YPSEYITAVE GTYDKIFGSD GLIITMLRFK DATA SEQUENCE TNKQTSAPFG LEAGTAFELK EEGHKIVGFH GKASELLHQF GVHVMPLTN 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 A HA 0.000 4.320 4.320 0.000 0.000 0.244 1 A C 0.000 177.607 177.584 0.038 0.000 1.274 1 A CA 0.000 52.043 52.037 0.010 0.000 0.836 1 A CB 0.000 19.012 19.000 0.021 0.000 0.831 2 Q N 3.356 123.212 119.800 0.093 0.000 2.301 2 Q HA -0.114 4.327 4.340 0.169 0.000 0.262 2 Q C -0.948 175.163 176.000 0.185 0.000 1.168 2 Q CA 0.096 56.013 55.803 0.191 0.000 0.908 2 Q CB -0.496 28.417 28.738 0.292 0.000 1.348 2 Q HN -0.196 8.127 8.270 0.089 0.000 0.441 3 K N 3.968 124.435 120.400 0.110 0.000 2.716 3 K HA 0.202 4.553 4.320 0.051 0.000 0.249 3 K C -1.405 175.239 176.600 0.074 0.000 1.004 3 K CA -0.149 56.148 56.287 0.017 0.000 0.968 3 K CB 0.912 33.301 32.500 -0.185 0.000 1.214 3 K HN -0.147 8.169 8.250 0.109 0.000 0.476 4 V N 5.904 125.917 119.914 0.166 0.000 2.775 4 V HA -0.033 4.147 4.120 0.099 0.000 0.299 4 V C 0.073 176.238 176.094 0.118 0.000 1.062 4 V CA -0.242 62.147 62.300 0.148 0.000 1.063 4 V CB 0.958 32.909 31.823 0.212 0.000 0.994 4 V HN 0.217 8.523 8.190 0.194 0.000 0.483 5 E N 3.741 123.932 120.200 -0.016 0.000 2.313 5 E HA -0.039 4.305 4.350 -0.010 0.000 0.272 5 E C 0.222 176.765 176.600 -0.095 0.000 1.038 5 E CA -0.701 55.664 56.400 -0.059 0.000 0.863 5 E CB 1.571 31.198 29.700 -0.121 0.000 1.060 5 E HN 0.054 8.369 8.360 -0.076 0.000 0.402 6 A N 4.831 127.662 122.820 0.018 0.000 2.981 6 A HA 0.072 4.443 4.320 0.085 0.000 0.280 6 A C -0.393 177.106 177.584 -0.142 0.000 1.743 6 A CA -0.558 51.509 52.037 0.050 0.000 1.430 6 A CB -0.925 18.194 19.000 0.198 0.000 1.085 6 A HN 0.279 8.437 8.150 0.012 0.000 0.597 7 G N 0.383 108.955 108.800 -0.381 0.000 2.367 7 G HA2 -0.052 3.697 3.960 -0.350 0.000 0.280 7 G HA3 -0.052 3.545 3.960 -0.605 0.000 0.280 7 G C -1.205 173.514 174.900 -0.302 0.000 1.175 7 G CA 0.334 45.181 45.100 -0.422 0.000 1.001 7 G HN -0.452 7.399 8.290 -0.680 0.031 0.437 8 G N 1.756 110.385 108.800 -0.285 0.000 2.341 8 G HA2 -0.077 3.710 3.960 -0.288 0.000 0.293 8 G HA3 -0.077 3.985 3.960 -0.042 -0.128 0.293 8 G C -1.493 173.374 174.900 -0.054 0.000 1.298 8 G CA -0.304 44.697 45.100 -0.165 0.000 0.868 8 G HN -0.797 7.338 8.290 -0.258 0.000 0.540 9 G N -2.549 106.283 108.800 0.054 0.000 2.653 9 G HA2 0.031 3.990 3.960 -0.002 0.000 0.265 9 G HA3 0.031 4.294 3.960 0.122 -0.231 0.265 9 G C -1.700 173.194 174.900 -0.010 0.000 1.237 9 G CA -0.707 44.423 45.100 0.049 0.000 0.946 9 G HN -0.362 7.998 8.290 0.116 0.000 0.522 10 A N -1.056 121.673 122.820 -0.152 0.000 2.855 10 A HA 0.257 4.462 4.320 -0.192 0.000 0.313 10 A C -0.843 176.476 177.584 -0.443 0.000 1.173 10 A CA -0.259 51.634 52.037 -0.240 0.000 0.753 10 A CB -0.135 18.762 19.000 -0.170 0.000 1.200 10 A HN 0.211 8.268 8.150 -0.154 0.000 0.442 11 G N 0.327 108.551 108.800 -0.961 0.000 4.299 11 G HA2 0.043 3.685 3.960 -0.529 0.000 0.290 11 G HA3 0.043 3.092 3.960 -1.518 0.000 0.290 11 G C -0.956 173.505 174.900 -0.731 0.000 1.019 11 G CA -0.371 44.087 45.100 -1.069 0.000 0.790 11 G HN 0.251 7.819 8.290 -1.204 0.000 0.452 12 G N -1.235 107.396 108.800 -0.282 0.000 2.706 12 G HA2 0.612 4.639 3.960 0.112 0.000 0.307 12 G HA3 0.612 4.819 3.960 0.357 -0.033 0.307 12 G C -2.936 172.087 174.900 0.205 0.000 1.307 12 G CA -0.062 45.116 45.100 0.129 0.000 0.790 12 G HN -0.623 7.507 8.290 -0.267 0.000 0.503 13 A N -1.184 121.783 122.820 0.245 0.000 2.530 13 A HA 0.499 5.144 4.320 0.541 0.000 0.279 13 A C -1.805 175.871 177.584 0.154 0.000 1.109 13 A CA 0.230 52.438 52.037 0.285 0.000 0.763 13 A CB 1.090 20.198 19.000 0.181 0.000 1.257 13 A HN -0.039 8.233 8.150 0.203 0.000 0.424 14 S N 1.887 117.686 115.700 0.165 0.000 2.599 14 S HA 0.154 4.639 4.470 0.025 0.000 0.217 14 S C -0.502 174.193 174.600 0.159 0.000 0.852 14 S CA -0.056 58.203 58.200 0.098 0.000 1.521 14 S CB 1.248 64.520 63.200 0.119 0.000 1.269 14 S HN 0.195 8.741 8.310 0.393 0.000 0.607 15 W N -1.029 120.381 121.300 0.183 0.000 1.673 15 W HA -0.073 4.876 4.660 0.234 -0.148 0.369 15 W C -1.572 175.081 176.519 0.222 0.000 1.661 15 W CA -1.428 56.041 57.345 0.206 0.000 1.821 15 W CB -0.030 29.519 29.460 0.149 0.000 1.427 15 W HN -0.631 7.702 8.180 0.256 0.000 0.755 16 D N 1.645 122.312 120.400 0.444 0.000 2.536 16 D HA -0.306 4.515 4.640 0.075 -0.136 0.260 16 D C -0.818 175.446 176.300 -0.060 0.000 1.270 16 D CA 1.827 55.957 54.000 0.216 0.000 0.934 16 D CB -0.138 40.900 40.800 0.396 0.000 1.129 16 D HN -0.049 8.717 8.370 0.660 0.000 0.533 17 D N 5.367 125.670 120.400 -0.161 0.000 2.592 17 D HA 0.176 4.693 4.640 -0.205 0.000 0.263 17 D C 0.326 176.561 176.300 -0.108 0.000 1.132 17 D CA -1.166 52.712 54.000 -0.204 0.000 0.996 17 D CB 2.775 43.402 40.800 -0.290 0.000 1.442 17 D HN 0.231 8.511 8.370 -0.151 0.000 0.486 18 G N -1.257 107.493 108.800 -0.083 0.000 3.159 18 G HA2 0.208 4.135 3.960 -0.055 0.000 0.232 18 G HA3 0.208 4.140 3.960 -0.047 0.000 0.232 18 G C 0.195 175.065 174.900 -0.050 0.000 1.116 18 G CA -0.034 45.032 45.100 -0.056 0.000 0.767 18 G HN 0.053 8.283 8.290 -0.099 0.000 0.547 19 V N -0.789 119.090 119.914 -0.058 0.000 2.626 19 V HA -0.283 3.783 4.120 -0.090 0.000 0.252 19 V C -0.639 175.388 176.094 -0.111 0.000 1.067 19 V CA 0.839 63.084 62.300 -0.090 0.000 1.081 19 V CB 0.554 32.307 31.823 -0.118 0.000 0.686 19 V HN -0.482 7.669 8.190 -0.065 0.000 0.468 20 H N -1.146 117.847 119.070 -0.128 0.000 3.082 20 H HA -0.080 4.405 4.556 -0.118 0.000 0.275 20 H C 0.014 175.275 175.328 -0.112 0.000 1.032 20 H CA 1.210 57.185 56.048 -0.120 0.000 1.477 20 H CB -0.168 29.511 29.762 -0.138 0.000 1.520 20 H HN -0.395 7.930 8.280 0.116 0.025 0.521 21 D N 5.145 125.518 120.400 -0.044 0.000 2.224 21 D HA -0.135 4.489 4.640 -0.025 0.000 0.205 21 D C -0.174 176.144 176.300 0.031 0.000 0.965 21 D CA 0.780 54.765 54.000 -0.025 0.000 0.852 21 D CB 0.689 41.453 40.800 -0.061 0.000 0.947 21 D HN 0.199 8.481 8.370 -0.146 0.000 0.494 22 G N -1.898 106.953 108.800 0.086 0.000 2.342 22 G HA2 0.060 4.057 3.960 0.062 0.000 0.297 22 G HA3 0.060 4.080 3.960 0.101 0.000 0.297 22 G C -2.947 172.065 174.900 0.187 0.000 1.313 22 G CA -0.373 44.790 45.100 0.106 0.000 0.830 22 G HN -0.481 7.860 8.290 0.112 0.017 0.506 23 V N -5.424 114.579 119.914 0.149 0.000 3.114 23 V HA 0.711 5.170 4.120 0.236 -0.198 0.308 23 V C -2.060 174.089 176.094 0.093 0.000 1.168 23 V CA -1.965 60.435 62.300 0.167 0.000 1.015 23 V CB 2.973 34.900 31.823 0.173 0.000 1.050 23 V HN -0.233 8.017 8.190 0.100 0.000 0.433 24 R N 0.479 121.018 120.500 0.065 0.000 2.871 24 R HA 0.330 4.664 4.340 -0.009 0.000 0.176 24 R C -1.458 174.830 176.300 -0.019 0.000 0.830 24 R CA 0.317 56.420 56.100 0.006 0.000 1.160 24 R CB 3.908 34.203 30.300 -0.007 0.000 1.614 24 R HN -0.000 8.322 8.270 0.088 0.000 0.596 25 K N -1.783 118.608 120.400 -0.014 0.000 2.508 25 K HA 0.729 5.204 4.320 0.019 -0.143 0.260 25 K C -2.036 174.544 176.600 -0.033 0.000 0.949 25 K CA -1.068 55.213 56.287 -0.009 0.000 0.834 25 K CB 4.551 37.048 32.500 -0.004 0.000 1.365 25 K HN -0.450 7.795 8.250 -0.007 0.000 0.437 26 V N 1.110 121.090 119.914 0.111 0.000 2.656 26 V HA 0.324 4.437 4.120 -0.013 0.000 0.307 26 V C -1.642 174.646 176.094 0.323 0.000 1.051 26 V CA -1.439 60.938 62.300 0.128 0.000 0.893 26 V CB 3.423 35.341 31.823 0.157 0.000 0.999 26 V HN -0.102 8.240 8.190 0.253 0.000 0.426 27 H N 5.362 124.412 119.070 -0.032 0.000 2.600 27 H HA 0.347 4.777 4.556 -0.353 -0.086 0.357 27 H C -1.535 173.684 175.328 -0.182 0.000 1.106 27 H CA -1.719 54.186 56.048 -0.238 0.000 1.193 27 H CB 3.632 33.192 29.762 -0.336 0.000 1.594 27 H HN 0.325 8.641 8.280 0.060 0.000 0.526 28 V N 3.945 123.746 119.914 -0.187 0.000 2.516 28 V HA 0.217 4.439 4.120 -0.050 -0.132 0.271 28 V C -1.002 174.977 176.094 -0.193 0.000 0.992 28 V CA -0.614 61.609 62.300 -0.128 0.000 0.857 28 V CB 1.379 33.179 31.823 -0.038 0.000 1.047 28 V HN 0.349 8.282 8.190 -0.428 0.000 0.455 29 G N 5.253 113.999 108.800 -0.090 0.000 2.428 29 G HA2 0.260 4.202 3.960 -0.084 0.000 0.320 29 G HA3 0.260 4.397 3.960 0.064 -0.139 0.320 29 G C -1.775 173.119 174.900 -0.011 0.000 1.098 29 G CA -1.213 43.868 45.100 -0.031 0.000 0.984 29 G HN 0.460 8.625 8.290 -0.031 0.107 0.444 30 Q N 8.502 128.287 119.800 -0.025 0.000 2.286 30 Q HA -0.200 4.252 4.340 -0.019 -0.124 0.265 30 Q C 0.006 176.006 176.000 -0.001 0.000 1.080 30 Q CA -0.182 55.612 55.803 -0.016 0.000 0.906 30 Q CB 0.382 29.109 28.738 -0.018 0.000 1.227 30 Q HN 0.423 8.667 8.270 -0.043 0.000 0.409 31 G N 4.505 113.306 108.800 0.001 0.000 2.553 31 G HA2 -0.019 3.948 3.960 0.012 0.000 0.278 31 G HA3 -0.019 3.945 3.960 0.006 0.000 0.278 31 G C 0.103 175.005 174.900 0.004 0.000 1.349 31 G CA -1.079 44.025 45.100 0.006 0.000 1.037 31 G HN 0.719 8.911 8.290 -0.007 0.095 0.508 32 Q N -0.230 119.574 119.800 0.007 0.000 2.181 32 Q HA -0.239 4.105 4.340 0.006 0.000 0.205 32 Q C 0.381 176.385 176.000 0.008 0.000 0.980 32 Q CA 2.693 58.500 55.803 0.007 0.000 0.862 32 Q CB 0.004 28.747 28.738 0.008 0.000 0.905 32 Q HN 0.574 8.849 8.270 0.008 0.000 0.429 33 D N -4.628 115.777 120.400 0.008 0.000 2.527 33 D HA 0.218 4.865 4.640 0.012 0.000 0.224 33 D C -0.983 175.322 176.300 0.008 0.000 1.217 33 D CA 0.066 54.072 54.000 0.011 0.000 0.819 33 D CB 1.595 42.405 40.800 0.016 0.000 1.061 33 D HN 0.005 8.354 8.370 0.006 0.025 0.515 34 G N -2.638 106.161 108.800 -0.001 0.000 2.341 34 G HA2 -0.064 3.892 3.960 -0.006 0.000 0.293 34 G HA3 -0.064 3.892 3.960 -0.007 0.000 0.293 34 G C -2.349 172.536 174.900 -0.024 0.000 1.298 34 G CA 0.278 45.372 45.100 -0.009 0.000 0.868 34 G HN -0.899 7.389 8.290 -0.002 0.000 0.540 35 V N 0.377 120.268 119.914 -0.040 0.000 2.377 35 V HA -0.166 3.933 4.120 -0.035 0.000 0.254 35 V C -0.286 175.766 176.094 -0.069 0.000 1.060 35 V CA 1.213 63.483 62.300 -0.050 0.000 1.068 35 V CB -0.622 31.167 31.823 -0.056 0.000 1.113 35 V HN -0.195 7.973 8.190 -0.038 0.000 0.484 36 S N 7.804 123.481 115.700 -0.038 0.000 2.535 36 S HA 0.267 4.701 4.470 -0.060 0.000 0.214 36 S C -0.695 173.905 174.600 0.000 0.000 0.980 36 S CA 1.130 59.313 58.200 -0.029 0.000 0.907 36 S CB 0.900 64.096 63.200 -0.006 0.000 0.790 36 S HN 0.096 8.477 8.310 -0.021 -0.083 0.510 37 S N -0.266 115.445 115.700 0.018 0.000 2.546 37 S HA 0.746 5.390 4.470 0.067 -0.134 0.274 37 S C -1.821 172.817 174.600 0.064 0.000 1.121 37 S CA -0.907 57.330 58.200 0.063 0.000 0.887 37 S CB 3.034 66.298 63.200 0.107 0.000 1.094 37 S HN -0.455 7.858 8.310 0.004 0.000 0.474 38 I N -6.921 113.704 120.570 0.092 0.000 3.279 38 I HA 0.767 5.175 4.170 0.071 -0.195 0.315 38 I C -2.200 173.971 176.117 0.090 0.000 1.225 38 I CA -1.744 59.604 61.300 0.081 0.000 0.947 38 I CB 4.531 42.565 38.000 0.057 0.000 1.293 38 I HN 0.470 8.745 8.210 0.109 0.000 0.468 39 N N 0.448 119.165 118.700 0.028 0.000 2.367 39 N HA 0.345 5.257 4.740 -0.082 -0.221 0.278 39 N C -2.016 173.435 175.510 -0.100 0.000 1.117 39 N CA -0.422 52.587 53.050 -0.069 0.000 0.867 39 N CB 3.855 42.278 38.487 -0.107 0.000 1.649 39 N HN 0.164 8.548 8.380 0.007 0.000 0.479 40 V N 0.616 120.512 119.914 -0.030 0.000 2.447 40 V HA 0.458 4.607 4.120 0.049 0.000 0.292 40 V C -1.814 174.337 176.094 0.096 0.000 1.021 40 V CA -2.223 60.130 62.300 0.088 0.000 0.850 40 V CB 0.329 32.312 31.823 0.266 0.000 1.005 40 V HN -0.083 7.958 8.190 -0.056 0.115 0.426 41 V N 6.637 126.584 119.914 0.055 0.000 2.769 41 V HA 0.386 4.483 4.120 -0.038 0.000 0.312 41 V C -1.274 174.904 176.094 0.139 0.000 1.058 41 V CA -1.641 60.663 62.300 0.006 0.000 0.952 41 V CB 2.542 34.307 31.823 -0.096 0.000 1.019 41 V HN -0.412 7.793 8.190 0.025 0.000 0.445 42 Y N 0.944 121.264 120.300 0.034 0.000 2.576 42 Y HA 0.446 5.032 4.550 0.060 0.000 0.346 42 Y C -2.800 173.111 175.900 0.019 0.000 1.018 42 Y CA -2.761 55.364 58.100 0.041 0.000 1.050 42 Y CB 2.366 40.850 38.460 0.040 0.000 1.280 42 Y HN -0.273 7.706 8.280 -0.501 0.000 0.474 43 A N 0.624 123.537 122.820 0.155 0.000 2.304 43 A HA 0.296 4.614 4.320 -0.003 0.000 0.314 43 A C -1.132 176.528 177.584 0.126 0.000 1.187 43 A CA -1.076 51.004 52.037 0.071 0.000 0.810 43 A CB 1.668 20.692 19.000 0.040 0.000 1.183 43 A HN 0.264 8.546 8.150 0.220 0.000 0.487 44 K N 2.614 123.077 120.400 0.105 0.000 2.211 44 K HA 0.410 4.794 4.320 0.105 0.000 0.237 44 K C 1.534 178.167 176.600 0.054 0.000 1.002 44 K CA -2.314 54.035 56.287 0.103 0.000 0.885 44 K CB 1.670 34.250 32.500 0.134 0.000 1.136 44 K HN -0.475 7.808 8.250 0.056 0.000 0.448 45 D N 0.650 121.078 120.400 0.045 0.000 2.435 45 D HA -0.252 4.404 4.640 0.027 0.000 0.224 45 D C 0.097 176.410 176.300 0.022 0.000 0.987 45 D CA 2.688 56.706 54.000 0.030 0.000 0.989 45 D CB -0.638 40.178 40.800 0.027 0.000 0.861 45 D HN 0.410 8.811 8.370 0.052 0.000 0.512 46 S N -2.861 112.851 115.700 0.020 0.000 4.772 46 S HA 0.034 4.509 4.470 0.009 0.000 0.177 46 S C -1.145 173.457 174.600 0.004 0.000 1.117 46 S CA 0.905 59.112 58.200 0.011 0.000 1.250 46 S CB 1.283 64.490 63.200 0.012 0.000 1.749 46 S HN -0.335 7.839 8.310 0.025 0.151 0.589 47 Q N -0.492 119.309 119.800 0.001 0.000 2.544 47 Q HA 0.201 4.531 4.340 -0.018 0.000 0.291 47 Q C -1.718 174.261 176.000 -0.035 0.000 1.068 47 Q CA -1.219 54.574 55.803 -0.017 0.000 0.785 47 Q CB 2.631 31.356 28.738 -0.020 0.000 1.481 47 Q HN -0.388 7.887 8.270 0.009 0.000 0.430 48 D N 0.723 121.081 120.400 -0.069 0.000 2.358 48 D HA 0.276 4.955 4.640 -0.155 -0.132 0.244 48 D C -0.618 175.556 176.300 -0.211 0.000 1.163 48 D CA -0.111 53.803 54.000 -0.143 0.000 0.945 48 D CB 0.672 41.396 40.800 -0.127 0.000 1.152 48 D HN 0.199 8.535 8.370 -0.057 0.000 0.451 49 V N 0.292 119.951 119.914 -0.424 0.000 2.808 49 V HA 0.200 4.180 4.120 -0.233 0.000 0.308 49 V C -1.185 174.605 176.094 -0.506 0.000 1.099 49 V CA -1.352 60.690 62.300 -0.430 0.000 0.920 49 V CB 3.474 35.051 31.823 -0.409 0.000 1.014 49 V HN -0.098 7.727 8.190 -0.609 0.000 0.425 50 E N 4.329 124.379 120.200 -0.249 0.000 2.320 50 E HA 0.281 4.516 4.350 -0.193 0.000 0.264 50 E C 0.076 176.631 176.600 -0.076 0.000 0.923 50 E CA -1.668 54.637 56.400 -0.158 0.000 0.796 50 E CB 2.585 32.228 29.700 -0.095 0.000 1.262 50 E HN 0.244 8.503 8.360 -0.168 0.000 0.428 51 G N 1.593 110.365 108.800 -0.046 0.000 2.665 51 G HA2 -0.138 3.802 3.960 -0.034 0.000 0.220 51 G HA3 -0.138 3.826 3.960 0.007 0.000 0.220 51 G C -0.571 174.299 174.900 -0.050 0.000 1.002 51 G CA 0.328 45.414 45.100 -0.024 0.000 0.893 51 G HN 0.281 8.535 8.290 -0.060 0.000 0.586 52 G N -0.646 108.095 108.800 -0.098 0.000 3.523 52 G HA2 0.002 3.835 3.960 -0.211 0.000 0.270 52 G HA3 0.002 4.121 3.960 -0.065 -0.198 0.270 52 G C -1.591 172.952 174.900 -0.594 0.000 1.134 52 G CA -0.767 44.192 45.100 -0.236 0.000 0.825 52 G HN -0.074 8.550 8.290 -0.074 -0.378 0.534 53 E N -0.080 119.871 120.200 -0.415 0.000 2.299 53 E HA -0.200 4.209 4.350 -0.173 -0.163 0.272 53 E C -0.386 175.954 176.600 -0.434 0.000 1.043 53 E CA 0.079 56.310 56.400 -0.282 0.000 0.895 53 E CB -0.064 29.595 29.700 -0.069 0.000 1.011 53 E HN -0.412 7.712 8.360 -0.276 0.071 0.432 54 H N 5.542 124.653 119.070 0.069 0.000 2.864 54 H HA 0.278 4.865 4.556 0.052 0.000 0.354 54 H C -0.662 174.696 175.328 0.049 0.000 1.208 54 H CA -1.035 55.046 56.048 0.055 0.000 1.191 54 H CB 3.928 33.722 29.762 0.053 0.000 1.889 54 H HN 0.227 8.376 8.280 -0.038 0.108 0.574 55 G N -0.510 108.399 108.800 0.181 0.000 2.553 55 G HA2 -0.475 3.605 3.960 0.077 0.000 0.242 55 G HA3 -0.475 3.682 3.960 0.076 -0.152 0.242 55 G C -1.530 173.416 174.900 0.077 0.000 1.277 55 G CA 0.180 45.337 45.100 0.096 0.000 0.910 55 G HN 0.074 8.489 8.290 0.209 0.000 0.576 56 K N 3.837 124.270 120.400 0.055 0.000 2.575 56 K HA 0.240 4.587 4.320 0.045 0.000 0.236 56 K C -1.049 175.578 176.600 0.044 0.000 0.976 56 K CA -1.277 55.036 56.287 0.044 0.000 0.985 56 K CB 1.110 33.629 32.500 0.032 0.000 1.198 56 K HN 0.400 8.559 8.250 0.046 0.119 0.464 57 K N 5.431 125.860 120.400 0.047 0.000 2.355 57 K HA -0.140 4.234 4.320 0.090 0.000 0.270 57 K C 0.007 176.615 176.600 0.013 0.000 1.003 57 K CA 0.854 57.171 56.287 0.050 0.000 0.957 57 K CB 0.708 33.224 32.500 0.025 0.000 0.939 57 K HN 0.348 8.624 8.250 0.043 0.000 0.482 58 T N 3.108 117.672 114.554 0.016 0.000 2.883 58 T HA 0.251 4.589 4.350 -0.019 0.000 0.301 58 T C 0.535 175.228 174.700 -0.011 0.000 1.158 58 T CA -1.776 60.323 62.100 -0.003 0.000 1.007 58 T CB 1.090 69.963 68.868 0.009 0.000 1.186 58 T HN -0.070 8.201 8.240 0.052 0.000 0.499 59 L N 4.381 125.589 121.223 -0.025 0.000 2.362 59 L HA -0.040 4.268 4.340 -0.054 0.000 0.219 59 L C -0.772 176.098 176.870 -0.001 0.000 1.134 59 L CA 1.500 56.323 54.840 -0.029 0.000 0.807 59 L CB 0.164 42.203 42.059 -0.033 0.000 0.927 59 L HN 0.615 8.830 8.230 -0.024 0.000 0.447 60 L N -2.686 118.543 121.223 0.009 0.000 2.818 60 L HA 0.142 4.490 4.340 0.014 0.000 0.243 60 L C -0.196 176.688 176.870 0.024 0.000 1.185 60 L CA -0.524 54.324 54.840 0.014 0.000 0.988 60 L CB 0.256 42.319 42.059 0.007 0.000 1.292 60 L HN -0.870 7.316 8.230 0.006 0.048 0.519 61 G N -1.609 107.219 108.800 0.047 0.000 2.460 61 G HA2 0.212 4.182 3.960 0.026 0.000 0.299 61 G HA3 0.212 4.345 3.960 0.039 -0.150 0.299 61 G C -2.761 172.222 174.900 0.137 0.000 1.592 61 G CA 0.431 45.563 45.100 0.054 0.000 1.008 61 G HN -0.649 7.518 8.290 0.057 0.158 0.513 62 F N 1.926 121.818 119.950 -0.096 0.000 2.703 62 F HA 0.314 4.777 4.527 -0.108 0.000 0.308 62 F C -2.636 173.038 175.800 -0.210 0.000 1.126 62 F CA -0.255 57.668 58.000 -0.128 0.000 0.959 62 F CB 3.190 42.126 39.000 -0.108 0.000 1.297 62 F HN -0.168 8.176 8.300 0.073 0.000 0.441 63 E N 3.639 123.168 120.200 -1.118 0.000 2.429 63 E HA 0.353 4.284 4.350 -0.699 0.000 0.276 63 E C -1.988 173.846 176.600 -1.277 0.000 0.953 63 E CA -2.019 53.777 56.400 -1.006 0.000 0.787 63 E CB 4.548 33.591 29.700 -1.096 0.000 1.307 63 E HN 0.154 7.537 8.360 -1.628 0.000 0.458 64 T N -0.382 113.745 114.554 -0.710 0.000 2.991 64 T HA 0.300 4.205 4.350 -0.742 0.000 0.303 64 T C -1.783 172.972 174.700 0.092 0.000 1.015 64 T CA -0.954 60.868 62.100 -0.463 0.000 1.007 64 T CB 2.110 70.765 68.868 -0.355 0.000 1.034 64 T HN -0.036 7.893 8.240 -0.517 0.000 0.446 65 F N 6.535 126.542 119.950 0.094 0.000 2.659 65 F HA 0.371 4.998 4.527 0.167 0.000 0.342 65 F C -2.428 173.431 175.800 0.097 0.000 1.168 65 F CA -1.138 56.961 58.000 0.166 0.000 1.003 65 F CB 3.386 42.565 39.000 0.298 0.000 1.267 65 F HN -0.035 8.511 8.300 0.411 0.000 0.463 66 E N 7.677 127.705 120.200 -0.287 0.000 2.152 66 E HA 0.124 4.391 4.350 -0.139 0.000 0.285 66 E C -1.033 175.262 176.600 -0.508 0.000 1.043 66 E CA -0.344 55.896 56.400 -0.266 0.000 0.839 66 E CB 0.829 30.435 29.700 -0.157 0.000 1.069 66 E HN 0.237 8.413 8.360 -0.307 0.000 0.399 67 V N 7.842 127.536 119.914 -0.366 0.000 2.348 67 V HA 0.038 3.860 4.120 -0.496 0.000 0.270 67 V C -0.941 175.023 176.094 -0.217 0.000 1.037 67 V CA -0.797 61.297 62.300 -0.343 0.000 0.872 67 V CB 0.584 32.285 31.823 -0.204 0.000 1.002 67 V HN -0.107 7.952 8.190 -0.218 0.000 0.464 68 D N 8.245 128.513 120.400 -0.219 0.000 2.378 68 D HA -0.117 4.442 4.640 -0.134 0.000 0.238 68 D C 1.169 177.371 176.300 -0.163 0.000 1.180 68 D CA 0.271 54.172 54.000 -0.165 0.000 0.895 68 D CB 2.358 43.063 40.800 -0.158 0.000 1.192 68 D HN 0.209 8.422 8.370 -0.262 0.000 0.438 69 A N 2.005 124.752 122.820 -0.120 0.000 2.121 69 A HA -0.138 4.131 4.320 -0.085 0.000 0.218 69 A C 0.060 177.553 177.584 -0.153 0.000 1.154 69 A CA 1.964 53.942 52.037 -0.098 0.000 0.679 69 A CB 0.219 19.190 19.000 -0.048 0.000 0.795 69 A HN 0.440 8.531 8.150 -0.097 0.000 0.458 70 D N -4.078 116.190 120.400 -0.220 0.000 2.431 70 D HA 0.202 4.655 4.640 -0.311 0.000 0.213 70 D C -0.985 174.916 176.300 -0.664 0.000 1.130 70 D CA 0.173 53.981 54.000 -0.320 0.000 0.834 70 D CB 1.284 42.034 40.800 -0.084 0.000 0.985 70 D HN -0.381 8.160 8.370 -0.177 -0.278 0.504 71 D N 0.228 120.290 120.400 -0.562 0.000 2.302 71 D HA -0.032 4.444 4.640 -0.274 0.000 0.248 71 D C -1.367 174.534 176.300 -0.666 0.000 1.094 71 D CA 0.344 54.079 54.000 -0.441 0.000 0.897 71 D CB 1.054 41.717 40.800 -0.229 0.000 1.200 71 D HN -0.717 7.220 8.370 -0.416 0.183 0.429 72 Y N 0.721 121.110 120.300 0.148 0.000 2.327 72 Y HA 0.173 4.789 4.550 0.111 0.000 0.325 72 Y C -1.092 174.928 175.900 0.200 0.000 0.999 72 Y CA -1.240 56.948 58.100 0.146 0.000 1.195 72 Y CB 2.475 40.997 38.460 0.102 0.000 1.132 72 Y HN 0.097 8.418 8.280 0.069 0.000 0.455 73 I N 4.477 125.222 120.570 0.291 0.000 2.308 73 I HA 0.046 4.388 4.170 0.287 0.000 0.293 73 I C 0.214 176.510 176.117 0.297 0.000 1.078 73 I CA 0.440 61.909 61.300 0.281 0.000 1.292 73 I CB -0.459 37.685 38.000 0.240 0.000 1.423 73 I HN 0.686 9.053 8.210 0.261 0.000 0.493 74 V N 1.714 121.798 119.914 0.284 0.000 3.174 74 V HA 0.177 4.413 4.120 0.193 0.000 0.254 74 V C -1.211 174.993 176.094 0.183 0.000 1.120 74 V CA -0.604 61.829 62.300 0.221 0.000 1.114 74 V CB 0.474 32.439 31.823 0.237 0.000 0.756 74 V HN -0.346 8.022 8.190 0.296 0.000 0.467 75 A N -1.571 121.371 122.820 0.203 0.000 2.549 75 A HA 0.687 5.279 4.320 0.188 -0.160 0.297 75 A C -2.562 175.126 177.584 0.173 0.000 1.061 75 A CA -0.809 51.332 52.037 0.172 0.000 0.690 75 A CB 3.788 22.857 19.000 0.116 0.000 1.287 75 A HN -0.506 7.777 8.150 0.222 0.000 0.402 76 V N -0.180 119.818 119.914 0.141 0.000 2.932 76 V HA 0.550 4.831 4.120 -0.005 -0.164 0.307 76 V C -1.490 174.576 176.094 -0.046 0.000 1.147 76 V CA -0.971 61.358 62.300 0.047 0.000 0.951 76 V CB 5.070 36.968 31.823 0.125 0.000 1.031 76 V HN -0.148 8.136 8.190 0.157 0.000 0.426 77 Q N 3.659 123.353 119.800 -0.176 0.000 2.348 77 Q HA 0.400 4.640 4.340 -0.168 0.000 0.265 77 Q C -1.529 174.269 176.000 -0.337 0.000 0.998 77 Q CA -1.833 53.841 55.803 -0.215 0.000 0.831 77 Q CB 1.256 29.881 28.738 -0.189 0.000 1.251 77 Q HN 0.360 8.479 8.270 -0.252 0.000 0.456 78 V N 7.024 126.660 119.914 -0.463 0.000 2.531 78 V HA 0.442 4.451 4.120 -0.412 -0.136 0.301 78 V C -1.248 174.512 176.094 -0.557 0.000 1.034 78 V CA -0.899 61.056 62.300 -0.575 0.000 0.865 78 V CB 2.690 34.065 31.823 -0.747 0.000 0.995 78 V HN -0.093 7.793 8.190 -0.506 0.000 0.424 79 T N 8.026 122.410 114.554 -0.283 0.000 2.908 79 T HA 0.753 5.133 4.350 -0.160 -0.125 0.290 79 T C -0.801 173.918 174.700 0.033 0.000 1.034 79 T CA -1.595 60.415 62.100 -0.150 0.000 1.010 79 T CB 2.772 71.540 68.868 -0.166 0.000 1.068 79 T HN 0.504 8.598 8.240 -0.243 0.000 0.481 80 Y N 0.576 120.857 120.300 -0.031 0.000 2.644 80 Y HA 0.594 5.240 4.550 0.006 -0.093 0.338 80 Y C -2.354 173.562 175.900 0.028 0.000 1.119 80 Y CA -2.447 55.667 58.100 0.023 0.000 1.060 80 Y CB 3.299 41.816 38.460 0.096 0.000 1.294 80 Y HN 0.611 8.681 8.280 -0.350 0.000 0.472 81 D N -1.548 118.946 120.400 0.156 0.000 2.622 81 D HA 0.149 4.774 4.640 -0.025 0.000 0.255 81 D C -2.610 173.779 176.300 0.149 0.000 1.246 81 D CA -0.980 53.057 54.000 0.063 0.000 0.795 81 D CB 4.131 44.935 40.800 0.005 0.000 1.369 81 D HN 0.274 8.807 8.370 0.272 0.000 0.425 82 N N 0.529 119.297 118.700 0.113 0.000 2.287 82 N HA 0.063 4.877 4.740 0.122 0.000 0.289 82 N C -2.325 173.244 175.510 0.098 0.000 1.066 82 N CA -0.375 52.747 53.050 0.120 0.000 0.841 82 N CB 1.791 40.363 38.487 0.141 0.000 1.599 82 N HN 0.080 8.503 8.380 0.072 0.000 0.476 83 V N -0.778 119.198 119.914 0.103 0.000 3.102 83 V HA 0.306 4.501 4.120 0.125 0.000 0.312 83 V C -1.646 174.547 176.094 0.165 0.000 1.135 83 V CA -2.174 60.199 62.300 0.121 0.000 1.022 83 V CB 2.811 34.691 31.823 0.096 0.000 1.056 83 V HN -0.400 7.848 8.190 0.098 0.000 0.436 84 F N 3.920 123.886 119.950 0.028 0.000 2.495 84 F HA -0.120 4.423 4.527 0.027 0.000 0.370 84 F C 0.063 175.879 175.800 0.027 0.000 1.117 84 F CA 1.209 59.224 58.000 0.026 0.000 1.060 84 F CB -0.509 38.503 39.000 0.020 0.000 1.065 84 F HN 0.259 8.746 8.300 0.311 0.000 0.571 85 G N 7.285 115.907 108.800 -0.298 0.000 2.380 85 G HA2 -0.272 3.428 3.960 -0.434 0.000 0.197 85 G HA3 -0.272 3.511 3.960 -0.295 0.000 0.197 85 G C -0.819 174.013 174.900 -0.114 0.000 1.001 85 G CA -0.256 44.656 45.100 -0.314 0.000 0.668 85 G HN 0.175 8.383 8.290 -0.136 0.000 0.483 86 Q N 1.904 121.688 119.800 -0.027 0.000 2.534 86 Q HA 0.019 4.372 4.340 0.022 0.000 0.223 86 Q C -0.827 175.192 176.000 0.031 0.000 1.239 86 Q CA -0.655 55.163 55.803 0.025 0.000 0.936 86 Q CB -1.606 27.169 28.738 0.062 0.000 1.457 86 Q HN -0.191 8.078 8.270 -0.002 0.000 0.547 87 D N 1.435 121.839 120.400 0.007 0.000 2.371 87 D HA -0.070 4.574 4.640 0.008 0.000 0.221 87 D C -0.276 176.031 176.300 0.012 0.000 0.986 87 D CA 1.359 55.360 54.000 0.002 0.000 0.899 87 D CB 0.440 41.227 40.800 -0.021 0.000 0.902 87 D HN -0.251 8.095 8.370 -0.008 0.019 0.530 88 S N -0.683 115.046 115.700 0.049 0.000 2.664 88 S HA 0.134 4.610 4.470 0.009 0.000 0.262 88 S C -1.218 173.497 174.600 0.191 0.000 1.229 88 S CA -1.457 56.785 58.200 0.069 0.000 1.151 88 S CB 1.494 64.695 63.200 0.002 0.000 1.054 88 S HN -0.479 7.789 8.310 0.071 0.084 0.483 89 D N 4.645 125.138 120.400 0.155 0.000 2.478 89 D HA -0.117 4.622 4.640 0.165 0.000 0.234 89 D C -0.275 176.168 176.300 0.239 0.000 1.154 89 D CA 1.243 55.351 54.000 0.179 0.000 0.874 89 D CB 0.578 41.471 40.800 0.156 0.000 1.198 89 D HN -0.015 8.414 8.370 0.099 0.000 0.455 90 I N -6.734 113.949 120.570 0.188 0.000 3.145 90 I HA 0.618 5.080 4.170 0.120 -0.219 0.313 90 I C -1.379 174.814 176.117 0.128 0.000 1.122 90 I CA -2.346 59.026 61.300 0.121 0.000 0.987 90 I CB 4.391 42.411 38.000 0.033 0.000 1.236 90 I HN -0.485 7.831 8.210 0.175 0.000 0.453 91 I N -0.577 120.032 120.570 0.064 0.000 2.532 91 I HA 0.131 4.505 4.170 0.128 -0.128 0.292 91 I C 0.639 176.767 176.117 0.019 0.000 1.014 91 I CA 0.378 61.714 61.300 0.060 0.000 1.340 91 I CB 1.016 39.023 38.000 0.012 0.000 1.422 91 I HN 0.175 8.385 8.210 0.001 0.000 0.528 92 T N 1.937 116.494 114.554 0.005 0.000 3.286 92 T HA 0.228 4.569 4.350 -0.015 0.000 0.237 92 T C 0.012 174.685 174.700 -0.045 0.000 0.969 92 T CA 0.671 62.758 62.100 -0.021 0.000 1.298 92 T CB 1.264 70.115 68.868 -0.029 0.000 1.053 92 T HN 0.027 8.275 8.240 0.012 0.000 0.402 93 S N 0.815 116.469 115.700 -0.077 0.000 2.536 93 S HA 0.319 4.746 4.470 -0.072 0.000 0.298 93 S C -1.952 172.537 174.600 -0.185 0.000 1.083 93 S CA -1.574 56.562 58.200 -0.107 0.000 0.995 93 S CB 2.192 65.327 63.200 -0.109 0.000 1.058 93 S HN -0.153 8.106 8.310 -0.084 0.000 0.488 94 I N 1.209 121.630 120.570 -0.249 0.000 2.730 94 I HA 0.775 4.850 4.170 -0.452 -0.176 0.298 94 I C -0.977 174.738 176.117 -0.671 0.000 1.089 94 I CA -1.901 59.117 61.300 -0.471 0.000 1.041 94 I CB 4.446 42.136 38.000 -0.517 0.000 1.235 94 I HN 0.546 8.655 8.210 -0.168 0.000 0.423 95 T N 5.950 120.025 114.554 -0.798 0.000 3.348 95 T HA 0.292 4.062 4.350 -0.967 0.000 0.328 95 T C -1.253 173.034 174.700 -0.688 0.000 0.913 95 T CA -0.508 61.143 62.100 -0.748 0.000 1.043 95 T CB 1.537 70.156 68.868 -0.415 0.000 1.021 95 T HN 0.086 7.867 8.240 -0.764 0.000 0.461 96 F N 6.028 125.639 119.950 -0.565 0.000 2.399 96 F HA 0.066 4.447 4.527 -0.243 0.000 0.342 96 F C -0.934 174.752 175.800 -0.190 0.000 1.106 96 F CA -0.494 57.270 58.000 -0.393 0.000 1.196 96 F CB 0.983 39.567 39.000 -0.694 0.000 1.163 96 F HN -0.305 7.364 8.300 -1.051 0.000 0.547 97 N N 1.815 120.609 118.700 0.156 0.000 2.504 97 N HA 0.519 5.450 4.740 0.111 -0.125 0.280 97 N C -0.806 174.825 175.510 0.202 0.000 1.052 97 N CA -0.563 52.566 53.050 0.132 0.000 0.887 97 N CB 3.130 41.663 38.487 0.076 0.000 1.323 97 N HN 0.484 8.994 8.380 0.217 0.000 0.509 98 T N 1.436 116.116 114.554 0.211 0.000 2.881 98 T HA 0.428 5.031 4.350 0.269 -0.091 0.278 98 T C 0.570 175.388 174.700 0.197 0.000 0.982 98 T CA -1.412 60.825 62.100 0.228 0.000 0.989 98 T CB 2.108 71.100 68.868 0.206 0.000 1.058 98 T HN 0.684 9.039 8.240 0.191 0.000 0.529 99 F N 3.557 123.593 119.950 0.144 0.000 2.367 99 F HA -0.149 4.445 4.527 0.112 0.000 0.298 99 F C 0.023 175.888 175.800 0.108 0.000 1.094 99 F CA 1.747 59.828 58.000 0.135 0.000 1.409 99 F CB 0.514 39.631 39.000 0.194 0.000 1.064 99 F HN 0.729 9.277 8.300 0.412 0.000 0.528 100 K N -4.393 115.971 120.400 -0.059 0.000 2.515 100 K HA -0.113 4.083 4.320 -0.207 0.000 0.196 100 K C 0.687 177.202 176.600 -0.143 0.000 1.038 100 K CA -0.496 55.720 56.287 -0.118 0.000 0.967 100 K CB -0.438 32.061 32.500 -0.001 0.000 0.780 100 K HN 0.099 8.405 8.250 0.133 0.024 0.483 101 G N -2.717 106.010 108.800 -0.122 0.000 2.159 101 G HA2 -0.379 3.530 3.960 -0.084 0.000 0.227 101 G HA3 -0.379 3.524 3.960 -0.094 0.000 0.227 101 G C -0.379 174.516 174.900 -0.009 0.000 0.986 101 G CA 0.141 45.194 45.100 -0.079 0.000 0.651 101 G HN -0.680 7.366 8.290 -0.098 0.185 0.523 102 K N 2.047 122.465 120.400 0.031 0.000 2.205 102 K HA 0.263 4.615 4.320 0.053 0.000 0.279 102 K C -1.006 175.665 176.600 0.117 0.000 1.027 102 K CA -1.517 54.816 56.287 0.076 0.000 0.932 102 K CB 0.470 33.025 32.500 0.091 0.000 1.032 102 K HN -0.290 7.939 8.250 0.034 0.042 0.466 103 T N 0.984 115.597 114.554 0.099 0.000 2.906 103 T HA 0.563 5.133 4.350 0.078 -0.173 0.302 103 T C -0.092 174.638 174.700 0.051 0.000 1.002 103 T CA -1.701 60.437 62.100 0.064 0.000 0.988 103 T CB 0.912 69.790 68.868 0.016 0.000 0.972 103 T HN 0.128 8.418 8.240 0.083 0.000 0.447 104 S N 7.538 123.247 115.700 0.016 0.000 2.593 104 S HA 0.228 4.769 4.470 0.117 0.000 0.269 104 S C -1.484 173.009 174.600 -0.179 0.000 1.334 104 S CA -1.412 56.762 58.200 -0.044 0.000 1.015 104 S CB -0.719 62.341 63.200 -0.233 0.000 0.912 104 S HN -0.223 8.073 8.310 -0.024 0.000 0.541 105 P HA 0.155 4.536 4.420 -0.065 0.000 0.273 105 P C -2.072 175.137 177.300 -0.152 0.000 1.250 105 P CA -1.758 61.312 63.100 -0.050 0.000 0.793 105 P CB -0.495 31.245 31.700 0.067 0.000 1.011 106 P HA -0.074 4.359 4.420 -0.250 -0.163 0.269 106 P C -1.193 176.132 177.300 0.043 0.000 1.252 106 P CA -0.306 62.723 63.100 -0.119 0.000 0.780 106 P CB 0.140 31.785 31.700 -0.092 0.000 0.829 107 Y N 2.728 122.924 120.300 -0.174 0.000 2.665 107 Y HA -0.091 4.388 4.550 -0.118 0.000 0.320 107 Y C -0.708 175.119 175.900 -0.122 0.000 1.204 107 Y CA -0.010 57.998 58.100 -0.153 0.000 1.315 107 Y CB -0.743 37.593 38.460 -0.207 0.000 1.033 107 Y HN 0.577 8.763 8.280 -0.156 0.000 0.509 108 G N -4.824 103.998 108.800 0.036 0.000 2.342 108 G HA2 -0.060 3.962 3.960 -0.004 0.000 0.297 108 G HA3 -0.060 4.147 3.960 -0.017 -0.257 0.297 108 G C -2.194 172.690 174.900 -0.027 0.000 1.313 108 G CA -0.420 44.676 45.100 -0.007 0.000 0.830 108 G HN -0.969 7.189 8.290 0.024 0.147 0.506 109 L N 1.354 122.559 121.223 -0.031 0.000 2.485 109 L HA 0.125 4.445 4.340 -0.033 0.000 0.279 109 L C -0.452 176.385 176.870 -0.056 0.000 1.124 109 L CA -0.300 54.518 54.840 -0.037 0.000 0.888 109 L CB 0.768 42.811 42.059 -0.028 0.000 1.217 109 L HN 0.117 8.651 8.230 -0.025 -0.319 0.464 110 E N 7.373 127.535 120.200 -0.063 0.000 2.417 110 E HA -0.123 4.168 4.350 -0.099 0.000 0.261 110 E C -1.092 175.462 176.600 -0.076 0.000 1.000 110 E CA 1.468 57.820 56.400 -0.081 0.000 0.919 110 E CB 0.622 30.276 29.700 -0.077 0.000 0.955 110 E HN 0.293 8.620 8.360 -0.054 0.000 0.455 111 T N 5.133 119.628 114.554 -0.097 0.000 2.887 111 T HA 0.155 4.457 4.350 -0.079 0.000 0.292 111 T C -0.133 174.493 174.700 -0.124 0.000 1.087 111 T CA -1.263 60.775 62.100 -0.103 0.000 1.009 111 T CB 2.246 71.045 68.868 -0.114 0.000 1.203 111 T HN -0.257 7.913 8.240 -0.116 0.000 0.518 112 Q N 1.432 121.164 119.800 -0.114 0.000 2.030 112 Q HA -0.323 3.971 4.340 -0.077 0.000 0.204 112 Q C 0.208 176.111 176.000 -0.161 0.000 0.986 112 Q CA 2.741 58.481 55.803 -0.105 0.000 0.843 112 Q CB 0.066 28.758 28.738 -0.077 0.000 0.904 112 Q HN 0.449 8.660 8.270 -0.098 0.000 0.420 113 K N -0.950 119.279 120.400 -0.286 0.000 2.315 113 K HA -0.185 3.913 4.320 -0.371 0.000 0.281 113 K C -0.952 175.284 176.600 -0.607 0.000 1.086 113 K CA 0.474 56.415 56.287 -0.576 0.000 1.042 113 K CB -2.194 29.720 32.500 -0.976 0.000 0.949 113 K HN -0.006 8.085 8.250 -0.265 0.000 0.450 114 K N 0.336 120.620 120.400 -0.193 0.000 2.617 114 K HA 0.496 4.909 4.320 0.022 -0.079 0.293 114 K C -2.098 174.655 176.600 0.255 0.000 1.034 114 K CA -1.278 55.003 56.287 -0.009 0.000 0.884 114 K CB 3.363 35.790 32.500 -0.122 0.000 1.541 114 K HN -0.366 7.848 8.250 -0.060 0.000 0.409 115 F N -4.488 115.553 119.950 0.151 0.000 2.643 115 F HA 0.454 5.050 4.527 0.116 0.000 0.314 115 F C -2.789 173.070 175.800 0.097 0.000 1.096 115 F CA -1.176 56.903 58.000 0.132 0.000 0.953 115 F CB 2.137 41.229 39.000 0.154 0.000 1.345 115 F HN 0.337 8.396 8.300 -0.401 0.000 0.468 116 V N 1.762 121.863 119.914 0.311 0.000 2.760 116 V HA 0.448 4.628 4.120 0.101 0.000 0.309 116 V C -1.496 174.772 176.094 0.291 0.000 1.077 116 V CA -1.119 61.297 62.300 0.194 0.000 0.910 116 V CB 3.604 35.491 31.823 0.108 0.000 1.008 116 V HN -0.021 8.396 8.190 0.379 0.000 0.424 117 L N 5.898 127.302 121.223 0.301 0.000 2.439 117 L HA 0.629 5.186 4.340 0.362 0.000 0.270 117 L C -1.961 175.123 176.870 0.355 0.000 0.972 117 L CA -0.386 54.700 54.840 0.410 0.000 0.836 117 L CB 1.937 44.340 42.059 0.572 0.000 1.255 117 L HN 0.102 8.471 8.230 0.233 0.000 0.404 118 K N 1.216 121.715 120.400 0.165 0.000 2.509 118 K HA 0.646 5.145 4.320 0.051 -0.149 0.266 118 K C -1.594 174.776 176.600 -0.385 0.000 0.987 118 K CA -1.463 54.810 56.287 -0.024 0.000 0.868 118 K CB 3.343 35.860 32.500 0.029 0.000 1.421 118 K HN 0.082 8.410 8.250 0.131 0.000 0.444 119 D N 0.827 120.971 120.400 -0.428 0.000 2.408 119 D HA 0.162 4.449 4.640 -0.587 0.000 0.243 119 D C -0.791 175.395 176.300 -0.190 0.000 1.075 119 D CA -0.357 53.349 54.000 -0.490 0.000 0.832 119 D CB 1.043 41.495 40.800 -0.581 0.000 1.162 119 D HN 0.106 8.339 8.370 -0.228 0.000 0.515 120 K N 3.902 124.223 120.400 -0.132 0.000 2.435 120 K HA 0.148 4.447 4.320 -0.034 0.000 0.199 120 K C 0.540 177.113 176.600 -0.045 0.000 1.153 120 K CA 0.505 56.761 56.287 -0.051 0.000 0.974 120 K CB 1.146 33.640 32.500 -0.011 0.000 0.997 120 K HN 0.446 8.600 8.250 -0.159 0.000 0.547 121 N N -2.573 116.093 118.700 -0.057 0.000 2.381 121 N HA -0.170 4.560 4.740 -0.016 0.000 0.182 121 N C 1.037 176.523 175.510 -0.041 0.000 1.025 121 N CA 0.622 53.652 53.050 -0.033 0.000 0.888 121 N CB 0.126 38.601 38.487 -0.019 0.000 0.965 121 N HN -0.404 7.926 8.380 -0.084 0.000 0.438 122 G N -4.168 104.593 108.800 -0.064 0.000 2.367 122 G HA2 -0.199 3.707 3.960 -0.091 0.000 0.181 122 G HA3 -0.199 3.725 3.960 -0.060 0.000 0.181 122 G C -0.067 174.788 174.900 -0.074 0.000 1.000 122 G CA -0.502 44.554 45.100 -0.073 0.000 0.693 122 G HN 0.281 8.864 8.290 -0.085 -0.344 0.480 123 G N 0.323 109.094 108.800 -0.048 0.000 2.664 123 G HA2 -0.143 3.824 3.960 0.012 0.000 0.242 123 G HA3 -0.143 4.052 3.960 0.062 -0.198 0.242 123 G C -2.143 172.759 174.900 0.003 0.000 1.225 123 G CA -0.055 45.050 45.100 0.007 0.000 0.849 123 G HN -0.555 8.028 8.290 -0.058 -0.327 0.581 124 K N 0.972 121.408 120.400 0.060 0.000 2.371 124 K HA 0.191 4.548 4.320 0.062 0.000 0.251 124 K C -0.508 176.215 176.600 0.205 0.000 0.934 124 K CA -1.576 54.756 56.287 0.074 0.000 0.798 124 K CB 2.777 35.248 32.500 -0.047 0.000 1.204 124 K HN -0.178 8.123 8.250 0.085 0.000 0.427 125 L N 5.882 127.265 121.223 0.268 0.000 2.506 125 L HA -0.154 4.391 4.340 0.341 0.000 0.281 125 L C -0.366 176.618 176.870 0.189 0.000 1.228 125 L CA 1.480 56.487 54.840 0.279 0.000 0.850 125 L CB 0.623 42.847 42.059 0.276 0.000 1.110 125 L HN 0.436 8.822 8.230 0.261 0.000 0.496 126 V N 2.774 122.772 119.914 0.141 0.000 3.431 126 V HA 0.175 4.348 4.120 0.088 0.000 0.255 126 V C -0.438 175.663 176.094 0.011 0.000 1.403 126 V CA -0.301 62.049 62.300 0.084 0.000 1.101 126 V CB 1.995 33.871 31.823 0.087 0.000 0.891 126 V HN 0.565 8.840 8.190 0.141 0.000 0.446 127 G N -2.483 106.306 108.800 -0.020 0.000 2.450 127 G HA2 0.128 3.965 3.960 -0.205 0.000 0.273 127 G HA3 0.128 3.906 3.960 -0.303 0.000 0.273 127 G C -2.598 172.240 174.900 -0.103 0.000 1.221 127 G CA -0.484 44.503 45.100 -0.188 0.000 0.900 127 G HN -0.328 7.981 8.290 0.032 0.000 0.483 128 F N -4.404 115.492 119.950 -0.090 0.000 2.675 128 F HA 0.981 5.515 4.527 -0.204 -0.129 0.324 128 F C -2.209 173.520 175.800 -0.118 0.000 1.106 128 F CA -2.728 55.183 58.000 -0.149 0.000 0.970 128 F CB 2.682 41.604 39.000 -0.129 0.000 1.385 128 F HN -0.271 7.482 8.300 -0.911 0.000 0.489 129 H N -4.525 114.612 119.070 0.111 0.000 2.980 129 H HA 0.453 5.262 4.556 0.236 -0.111 0.367 129 H C -1.885 173.534 175.328 0.151 0.000 1.206 129 H CA -1.408 54.678 56.048 0.064 0.000 1.126 129 H CB 3.166 32.703 29.762 -0.375 0.000 1.838 129 H HN 0.359 8.581 8.280 -0.096 0.000 0.552 130 G N -2.018 107.015 108.800 0.388 0.000 3.305 130 G HA2 -0.246 3.856 3.960 0.237 0.000 0.649 130 G HA3 -0.246 3.930 3.960 0.138 -0.133 0.649 130 G C -0.643 174.449 174.900 0.321 0.000 1.255 130 G CA -0.510 44.746 45.100 0.261 0.000 1.137 130 G HN 0.017 8.649 8.290 0.571 0.000 0.535 131 R N 2.236 122.944 120.500 0.346 0.000 2.537 131 R HA -0.174 4.540 4.340 0.624 0.000 0.281 131 R C -1.175 175.356 176.300 0.384 0.000 0.988 131 R CA 1.329 57.673 56.100 0.407 0.000 1.077 131 R CB 0.428 30.849 30.300 0.203 0.000 0.932 131 R HN 0.266 8.673 8.270 0.229 0.000 0.409 132 A N 0.738 123.780 122.820 0.371 0.000 2.609 132 A HA 0.839 5.512 4.320 0.365 -0.135 0.291 132 A C -1.857 175.886 177.584 0.265 0.000 1.096 132 A CA -1.301 50.913 52.037 0.295 0.000 0.684 132 A CB 4.213 23.271 19.000 0.097 0.000 1.282 132 A HN -0.135 8.299 8.150 0.345 -0.077 0.412 133 G N -1.384 107.524 108.800 0.180 0.000 2.693 133 G HA2 0.047 4.040 3.960 0.055 0.000 0.119 133 G HA3 0.047 4.128 3.960 0.201 0.000 0.119 133 G C -0.646 174.302 174.900 0.080 0.000 1.063 133 G CA 1.475 46.657 45.100 0.137 0.000 1.405 133 G HN -0.220 8.096 8.290 0.043 0.000 0.626 134 E N 1.294 121.561 120.200 0.111 0.000 2.072 134 E HA -0.204 4.185 4.350 0.066 0.000 0.191 134 E C -1.379 175.178 176.600 -0.072 0.000 0.985 134 E CA 1.855 58.287 56.400 0.053 0.000 0.801 134 E CB 0.545 30.305 29.700 0.099 0.000 0.750 134 E HN 0.185 8.678 8.360 0.222 0.000 0.452 135 A N -4.665 117.964 122.820 -0.318 0.000 2.413 135 A HA 0.349 4.641 4.320 -0.280 -0.139 0.307 135 A C -1.632 175.486 177.584 -0.777 0.000 1.087 135 A CA -1.685 50.030 52.037 -0.536 0.000 0.750 135 A CB 2.907 21.553 19.000 -0.590 0.000 1.296 135 A HN -0.691 7.225 8.150 -0.391 0.000 0.423 136 L N 1.415 122.374 121.223 -0.439 0.000 2.334 136 L HA 0.218 4.424 4.340 -0.224 0.000 0.286 136 L C -0.844 175.864 176.870 -0.269 0.000 1.108 136 L CA -0.966 53.709 54.840 -0.274 0.000 0.875 136 L CB -0.559 41.426 42.059 -0.124 0.000 1.246 136 L HN 0.028 8.074 8.230 -0.308 0.000 0.439 137 Y N 5.739 126.064 120.300 0.041 0.000 2.184 137 Y HA -0.011 4.696 4.550 0.045 -0.131 0.290 137 Y C 0.401 176.325 175.900 0.040 0.000 1.129 137 Y CA 2.269 60.394 58.100 0.041 0.000 1.144 137 Y CB 0.385 38.867 38.460 0.036 0.000 0.995 137 Y HN -0.269 7.912 8.280 -0.166 0.000 0.513 138 A N -5.969 116.954 122.820 0.172 0.000 2.593 138 A HA 0.315 4.711 4.320 0.127 0.000 0.290 138 A C -2.350 175.285 177.584 0.086 0.000 1.126 138 A CA -1.168 50.944 52.037 0.125 0.000 0.695 138 A CB 3.055 22.119 19.000 0.107 0.000 1.290 138 A HN -0.738 7.525 8.150 0.187 0.000 0.414 139 L N -1.182 120.093 121.223 0.086 0.000 2.469 139 L HA 0.725 5.144 4.340 -0.055 -0.112 0.256 139 L C -1.544 175.285 176.870 -0.069 0.000 1.006 139 L CA -0.601 54.235 54.840 -0.007 0.000 0.832 139 L CB 5.149 47.200 42.059 -0.014 0.000 1.421 139 L HN 0.425 8.762 8.230 0.179 0.000 0.410 140 G N -1.427 107.159 108.800 -0.356 0.000 2.355 140 G HA2 -0.017 3.824 3.960 -0.199 0.000 0.296 140 G HA3 -0.017 3.075 3.960 -1.447 0.000 0.296 140 G C -3.730 170.623 174.900 -0.912 0.000 1.507 140 G CA 0.615 45.256 45.100 -0.766 0.000 0.823 140 G HN -0.560 7.564 8.290 -0.277 0.000 0.569 141 A N -0.360 122.161 122.820 -0.499 0.000 2.427 141 A HA 0.473 4.677 4.320 -0.194 0.000 0.298 141 A C -1.918 175.480 177.584 -0.310 0.000 1.036 141 A CA -0.271 51.619 52.037 -0.245 0.000 0.701 141 A CB 2.556 21.518 19.000 -0.063 0.000 1.250 141 A HN -0.181 7.805 8.150 -0.273 0.000 0.412 142 Y N -0.022 120.212 120.300 -0.111 0.000 2.295 142 Y HA 0.049 4.331 4.550 -0.447 0.000 0.331 142 Y C -0.681 174.963 175.900 -0.426 0.000 1.311 142 Y CA -0.511 57.403 58.100 -0.310 0.000 1.430 142 Y CB 0.969 39.367 38.460 -0.102 0.000 1.339 142 Y HN 0.328 8.562 8.280 -0.076 0.000 0.552 143 F N -3.532 116.579 119.950 0.268 0.000 2.620 143 F HA 0.313 4.932 4.527 0.153 0.000 0.320 143 F C -0.099 175.761 175.800 0.099 0.000 1.069 143 F CA -2.256 55.839 58.000 0.159 0.000 0.953 143 F CB 3.500 42.581 39.000 0.134 0.000 1.322 143 F HN -0.440 7.940 8.300 0.133 0.000 0.479 144 A N 1.518 124.505 122.820 0.278 0.000 2.302 144 A HA 0.227 4.617 4.320 0.116 0.000 0.295 144 A C -1.220 176.436 177.584 0.119 0.000 1.235 144 A CA 0.005 52.128 52.037 0.143 0.000 0.876 144 A CB 0.231 19.286 19.000 0.092 0.000 1.133 144 A HN 0.431 8.768 8.150 0.311 0.000 0.533 145 T N 1.101 115.709 114.554 0.090 0.000 2.887 145 T HA 0.347 4.732 4.350 0.058 0.000 0.292 145 T C -1.083 173.637 174.700 0.033 0.000 1.087 145 T CA -1.436 60.704 62.100 0.065 0.000 1.009 145 T CB 1.589 70.511 68.868 0.089 0.000 1.203 145 T HN 0.105 8.391 8.240 0.075 0.000 0.518 146 T N 0.836 115.403 114.554 0.022 0.000 2.905 146 T HA 0.367 4.721 4.350 0.007 0.000 0.283 146 T C -1.178 173.525 174.700 0.005 0.000 1.031 146 T CA -1.700 60.405 62.100 0.009 0.000 1.002 146 T CB 1.645 70.516 68.868 0.005 0.000 1.200 146 T HN -0.164 8.091 8.240 0.025 0.000 0.560 147 T N 1.149 115.703 114.554 -0.001 0.000 2.791 147 T HA 0.265 4.613 4.350 -0.004 0.000 0.288 147 T C -0.690 174.008 174.700 -0.005 0.000 0.999 147 T CA -0.584 61.513 62.100 -0.005 0.000 0.952 147 T CB -0.067 68.795 68.868 -0.009 0.000 0.938 147 T HN 0.122 8.360 8.240 -0.002 0.000 0.444 148 T N 4.597 119.149 114.554 -0.004 0.000 2.896 148 T HA 0.429 4.775 4.350 -0.006 0.000 0.297 148 T C -1.877 172.819 174.700 -0.006 0.000 1.108 148 T CA -3.527 58.571 62.100 -0.005 0.000 1.004 148 T CB 1.087 69.954 68.868 -0.002 0.000 1.159 148 T HN 0.079 8.317 8.240 -0.003 0.000 0.499 149 P HA 0.204 4.619 4.420 -0.009 0.000 0.277 149 P C -1.042 176.254 177.300 -0.007 0.000 1.276 149 P CA -0.755 62.340 63.100 -0.008 0.000 0.788 149 P CB 0.615 32.310 31.700 -0.009 0.000 1.114 150 V N -0.587 119.323 119.914 -0.008 0.000 2.655 150 V HA -0.079 4.038 4.120 -0.005 0.000 0.300 150 V C -0.040 176.050 176.094 -0.007 0.000 1.044 150 V CA 1.139 63.435 62.300 -0.006 0.000 1.095 150 V CB -0.015 31.803 31.823 -0.008 0.000 0.952 150 V HN 0.125 8.310 8.190 -0.009 0.000 0.485 151 T N 5.137 119.689 114.554 -0.004 0.000 2.901 151 T HA 0.492 4.834 4.350 -0.014 0.000 0.293 151 T C -2.035 172.660 174.700 -0.009 0.000 1.084 151 T CA -3.166 58.929 62.100 -0.008 0.000 1.008 151 T CB 0.720 69.583 68.868 -0.008 0.000 1.170 151 T HN -0.336 7.905 8.240 0.001 0.000 0.509 152 P HA 0.063 4.472 4.420 -0.018 0.000 0.297 152 P C -0.891 176.388 177.300 -0.036 0.000 1.303 152 P CA -0.884 62.198 63.100 -0.030 0.000 0.753 152 P CB 0.272 31.944 31.700 -0.046 0.000 1.281 153 A N -1.668 121.118 122.820 -0.057 0.000 2.462 153 A HA -0.130 4.182 4.320 -0.013 0.000 0.243 153 A C 0.144 177.627 177.584 -0.168 0.000 1.076 153 A CA 0.036 52.027 52.037 -0.078 0.000 0.773 153 A CB 0.640 19.585 19.000 -0.090 0.000 1.010 153 A HN -0.017 8.099 8.150 -0.056 0.000 0.493 154 K N 3.223 123.526 120.400 -0.161 0.000 2.276 154 K HA 0.034 4.243 4.320 -0.184 0.000 0.283 154 K C -0.535 175.868 176.600 -0.329 0.000 1.044 154 K CA -0.408 55.758 56.287 -0.202 0.000 0.944 154 K CB 1.328 33.730 32.500 -0.163 0.000 1.012 154 K HN 0.021 8.211 8.250 -0.100 0.000 0.472 155 K N 3.883 124.066 120.400 -0.361 0.000 2.144 155 K HA 0.075 3.925 4.320 -0.783 0.000 0.270 155 K C -0.601 175.873 176.600 -0.210 0.000 1.005 155 K CA -0.427 55.594 56.287 -0.443 0.000 0.932 155 K CB 0.985 33.256 32.500 -0.382 0.000 1.021 155 K HN 0.168 8.257 8.250 -0.268 0.000 0.462 156 L N 3.167 124.306 121.223 -0.140 0.000 2.464 156 L HA 0.304 4.626 4.340 -0.031 0.000 0.264 156 L C -0.596 176.265 176.870 -0.015 0.000 1.062 156 L CA -1.069 53.763 54.840 -0.014 0.000 0.935 156 L CB 1.867 44.007 42.059 0.136 0.000 1.603 156 L HN 0.361 8.469 8.230 -0.203 0.000 0.528 157 S N -0.730 115.039 115.700 0.116 0.000 2.614 157 S HA 0.258 4.876 4.470 0.248 0.000 0.275 157 S C -1.086 173.585 174.600 0.120 0.000 1.161 157 S CA -0.596 57.688 58.200 0.140 0.000 0.969 157 S CB 1.483 64.712 63.200 0.049 0.000 1.059 157 S HN 0.004 8.386 8.310 0.119 0.000 0.482 158 A N 6.043 128.912 122.820 0.081 0.000 3.158 158 A HA 0.397 4.700 4.320 -0.030 0.000 0.217 158 A C -1.942 175.569 177.584 -0.122 0.000 1.469 158 A CA -0.965 51.041 52.037 -0.053 0.000 0.885 158 A CB 2.159 21.074 19.000 -0.141 0.000 1.662 158 A HN 0.356 8.586 8.150 0.132 0.000 0.512 159 I N -1.958 118.460 120.570 -0.252 0.000 2.913 159 I HA 0.247 4.377 4.170 -0.194 -0.076 0.302 159 I C -1.059 174.828 176.117 -0.383 0.000 1.246 159 I CA -0.219 60.907 61.300 -0.290 0.000 1.010 159 I CB 2.984 40.796 38.000 -0.313 0.000 1.259 159 I HN 0.270 8.269 8.210 -0.352 0.000 0.434 160 G N 3.540 112.159 108.800 -0.301 0.000 3.758 160 G HA2 -0.064 3.674 3.960 -0.371 0.000 0.206 160 G HA3 -0.064 3.937 3.960 -0.178 -0.148 0.206 160 G C -2.145 172.718 174.900 -0.061 0.000 0.946 160 G CA 0.423 45.380 45.100 -0.238 0.000 0.885 160 G HN 0.236 8.386 8.290 -0.234 0.000 0.392 161 G N -0.317 108.461 108.800 -0.036 0.000 2.355 161 G HA2 0.115 4.068 3.960 -0.011 0.000 0.296 161 G HA3 0.115 4.108 3.960 0.056 0.000 0.296 161 G C -2.903 171.965 174.900 -0.054 0.000 1.507 161 G CA 0.530 45.627 45.100 -0.006 0.000 0.823 161 G HN -0.795 7.670 8.290 -0.072 -0.218 0.569 162 D N -2.546 117.809 120.400 -0.075 0.000 2.433 162 D HA -0.008 4.598 4.640 -0.057 0.000 0.211 162 D C -0.760 175.487 176.300 -0.087 0.000 1.114 162 D CA -0.245 53.714 54.000 -0.068 0.000 0.837 162 D CB 0.159 40.929 40.800 -0.050 0.000 0.984 162 D HN 0.076 8.397 8.370 -0.081 0.000 0.505 163 E N -1.189 118.921 120.200 -0.151 0.000 2.272 163 E HA 0.261 4.552 4.350 -0.099 0.000 0.269 163 E C -0.647 175.821 176.600 -0.220 0.000 0.877 163 E CA -0.572 55.732 56.400 -0.159 0.000 0.755 163 E CB 2.315 31.921 29.700 -0.157 0.000 1.192 163 E HN -0.475 7.760 8.360 -0.208 0.000 0.422 164 G N 0.547 109.282 108.800 -0.109 0.000 2.335 164 G HA2 -0.135 3.802 3.960 -0.038 0.000 0.592 164 G HA3 -0.135 3.797 3.960 -0.047 0.000 0.592 164 G C -1.352 173.568 174.900 0.033 0.000 1.442 164 G CA -0.569 44.504 45.100 -0.044 0.000 0.976 164 G HN -0.041 8.205 8.290 -0.073 0.000 0.652 165 T N 2.592 117.198 114.554 0.086 0.000 2.888 165 T HA -0.109 4.293 4.350 0.087 0.000 0.301 165 T C -0.453 174.372 174.700 0.209 0.000 1.001 165 T CA 0.781 62.960 62.100 0.131 0.000 1.147 165 T CB 0.595 69.552 68.868 0.148 0.000 0.931 165 T HN 0.416 8.703 8.240 0.079 0.000 0.541 166 A N 6.406 129.306 122.820 0.133 0.000 2.401 166 A HA 0.157 4.677 4.320 0.015 -0.190 0.259 166 A C 0.137 177.807 177.584 0.143 0.000 1.103 166 A CA -0.793 51.282 52.037 0.063 0.000 0.789 166 A CB 0.603 19.595 19.000 -0.013 0.000 1.035 166 A HN 0.431 8.637 8.150 0.093 0.000 0.491 167 W N 1.561 122.865 121.300 0.007 0.000 2.128 167 W HA 0.235 4.863 4.660 -0.054 0.000 0.356 167 W C -1.627 174.828 176.519 -0.107 0.000 0.891 167 W CA -1.828 55.488 57.345 -0.048 0.000 2.408 167 W CB 0.076 29.528 29.460 -0.014 0.000 1.234 167 W HN 0.061 7.958 8.180 -0.471 0.000 0.597 168 D N 0.781 120.967 120.400 -0.356 0.000 2.402 168 D HA -0.269 4.124 4.640 -0.632 -0.132 0.268 168 D C 0.275 176.432 176.300 -0.238 0.000 1.294 168 D CA 0.591 54.363 54.000 -0.379 0.000 0.945 168 D CB -0.539 40.135 40.800 -0.210 0.000 1.112 168 D HN -0.247 7.979 8.370 -0.240 0.000 0.517 169 D N 2.807 123.011 120.400 -0.327 0.000 2.317 169 D HA -0.151 4.372 4.640 -0.195 0.000 0.211 169 D C 0.999 177.132 176.300 -0.278 0.000 0.966 169 D CA 0.794 54.586 54.000 -0.346 0.000 0.876 169 D CB 0.834 41.210 40.800 -0.705 0.000 0.927 169 D HN -0.199 7.895 8.370 -0.459 0.000 0.519 170 G N 0.655 109.331 108.800 -0.207 0.000 5.452 170 G HA2 -0.503 3.588 3.960 0.218 0.000 0.310 170 G HA3 -0.503 3.468 3.960 0.018 0.000 0.310 170 G C -1.867 173.030 174.900 -0.005 0.000 1.392 170 G CA 0.605 45.710 45.100 0.008 0.000 0.942 170 G HN -0.210 7.863 8.290 -0.295 0.040 0.776 171 A N 0.166 122.923 122.820 -0.105 0.000 2.590 171 A HA 0.401 4.675 4.320 -0.221 -0.087 0.296 171 A C -2.271 175.317 177.584 0.007 0.000 1.050 171 A CA 0.186 52.161 52.037 -0.103 0.000 0.697 171 A CB 2.413 21.417 19.000 0.007 0.000 1.277 171 A HN -0.539 7.496 8.150 -0.109 0.050 0.411 172 Y N -0.045 120.129 120.300 -0.209 0.000 2.630 172 Y HA 0.206 4.649 4.550 -0.177 0.000 0.337 172 Y C 0.277 176.106 175.900 -0.118 0.000 1.051 172 Y CA -1.877 56.073 58.100 -0.250 0.000 1.121 172 Y CB 3.617 41.714 38.460 -0.606 0.000 1.299 172 Y HN -0.180 8.049 8.280 -0.084 0.000 0.498 173 D N -0.476 119.984 120.400 0.100 0.000 2.265 173 D HA -0.255 4.429 4.640 0.074 0.000 0.208 173 D C -0.375 175.949 176.300 0.040 0.000 0.977 173 D CA 2.266 56.310 54.000 0.073 0.000 0.871 173 D CB 0.505 41.344 40.800 0.064 0.000 0.925 173 D HN 0.280 8.703 8.370 0.088 0.000 0.485 174 G N -6.084 102.737 108.800 0.034 0.000 2.317 174 G HA2 -0.017 4.066 3.960 0.204 0.000 0.293 174 G HA3 -0.017 3.736 3.960 -0.346 0.000 0.293 174 G C -2.426 172.501 174.900 0.045 0.000 1.287 174 G CA -0.697 44.399 45.100 -0.005 0.000 0.850 174 G HN -0.674 7.616 8.290 0.060 0.036 0.515 175 V N -3.930 116.041 119.914 0.095 0.000 2.443 175 V HA 0.483 4.846 4.120 0.201 -0.124 0.293 175 V C -1.525 174.633 176.094 0.106 0.000 1.021 175 V CA -2.064 60.336 62.300 0.167 0.000 0.848 175 V CB 1.927 33.880 31.823 0.216 0.000 0.998 175 V HN -0.045 8.241 8.190 0.159 0.000 0.424 176 K N 2.917 123.373 120.400 0.094 0.000 2.287 176 K HA 0.249 4.570 4.320 0.001 0.000 0.199 176 K C 0.127 176.732 176.600 0.007 0.000 1.061 176 K CA 0.143 56.447 56.287 0.028 0.000 0.976 176 K CB 1.934 34.441 32.500 0.013 0.000 0.898 176 K HN 0.439 8.792 8.250 0.173 0.000 0.492 177 K N -2.575 117.844 120.400 0.032 0.000 2.532 177 K HA 0.348 4.558 4.320 -0.184 0.000 0.265 177 K C -2.298 174.220 176.600 -0.136 0.000 0.948 177 K CA -0.689 55.540 56.287 -0.097 0.000 0.842 177 K CB 4.724 37.182 32.500 -0.070 0.000 1.392 177 K HN -0.886 7.440 8.250 0.126 0.000 0.436 178 V N -0.260 119.399 119.914 -0.424 0.000 2.962 178 V HA 0.423 4.129 4.120 -0.691 0.000 0.313 178 V C -1.904 173.764 176.094 -0.709 0.000 1.099 178 V CA -1.194 60.734 62.300 -0.620 0.000 0.971 178 V CB 3.783 35.230 31.823 -0.628 0.000 1.028 178 V HN 0.267 8.161 8.190 -0.493 0.000 0.430 179 Y N 1.223 121.231 120.300 -0.486 0.000 2.588 179 Y HA 0.629 5.272 4.550 -0.118 -0.164 0.343 179 Y C -1.049 174.754 175.900 -0.162 0.000 1.065 179 Y CA -1.684 56.292 58.100 -0.207 0.000 1.038 179 Y CB 4.142 42.512 38.460 -0.149 0.000 1.297 179 Y HN -0.001 7.939 8.280 -0.568 0.000 0.467 180 V N -0.314 119.712 119.914 0.185 0.000 2.638 180 V HA 0.218 4.384 4.120 0.077 0.000 0.306 180 V C -1.493 174.702 176.094 0.168 0.000 1.052 180 V CA -0.490 61.857 62.300 0.079 0.000 0.885 180 V CB 3.311 35.005 31.823 -0.215 0.000 0.999 180 V HN 0.489 8.850 8.190 0.285 0.000 0.424 181 G N 5.545 114.309 108.800 -0.059 0.000 2.955 181 G HA2 0.529 4.107 3.960 -0.866 0.000 0.336 181 G HA3 0.529 3.801 3.960 -1.146 0.000 0.336 181 G C -1.977 172.730 174.900 -0.321 0.000 1.264 181 G CA -1.128 43.581 45.100 -0.652 0.000 1.096 181 G HN 0.395 8.701 8.290 0.027 0.000 0.486 182 Q N 4.694 124.370 119.800 -0.207 0.000 2.417 182 Q HA -0.178 4.113 4.340 -0.081 0.000 0.241 182 Q C -0.622 175.295 176.000 -0.138 0.000 1.008 182 Q CA 0.652 56.387 55.803 -0.114 0.000 0.901 182 Q CB 1.315 30.024 28.738 -0.047 0.000 1.259 182 Q HN 0.167 8.320 8.270 -0.195 0.000 0.489 183 G N -1.335 107.410 108.800 -0.092 0.000 3.075 183 G HA2 0.367 4.270 3.960 -0.096 0.000 0.253 183 G HA3 0.367 4.445 3.960 -0.076 -0.163 0.253 183 G C -1.096 173.772 174.900 -0.053 0.000 1.353 183 G CA -1.262 43.789 45.100 -0.081 0.000 1.051 183 G HN 0.168 8.417 8.290 -0.068 0.000 0.553 184 Q N -1.278 118.496 119.800 -0.044 0.000 2.425 184 Q HA 0.110 4.437 4.340 -0.022 0.000 0.204 184 Q C 0.359 176.345 176.000 -0.023 0.000 0.933 184 Q CA 1.313 57.100 55.803 -0.027 0.000 0.939 184 Q CB 0.340 29.066 28.738 -0.020 0.000 1.044 184 Q HN 0.501 8.741 8.270 -0.049 0.000 0.513 185 D N -3.994 116.384 120.400 -0.038 0.000 2.482 185 D HA 0.038 4.655 4.640 -0.038 0.000 0.251 185 D C -0.292 175.981 176.300 -0.045 0.000 1.073 185 D CA -0.226 53.745 54.000 -0.048 0.000 0.892 185 D CB 1.515 42.269 40.800 -0.077 0.000 1.202 185 D HN 0.036 8.323 8.370 -0.047 0.055 0.496 186 G N -1.058 107.716 108.800 -0.043 0.000 2.367 186 G HA2 -0.072 3.878 3.960 -0.016 0.000 0.272 186 G HA3 -0.072 3.868 3.960 -0.033 0.000 0.272 186 G C -1.702 173.176 174.900 -0.037 0.000 1.271 186 G CA -0.234 44.847 45.100 -0.031 0.000 0.893 186 G HN -0.825 7.435 8.290 -0.049 0.000 0.485 187 I N 0.626 121.182 120.570 -0.024 0.000 2.494 187 I HA -0.037 4.111 4.170 -0.036 0.000 0.289 187 I C -0.386 175.714 176.117 -0.028 0.000 1.106 187 I CA -1.000 60.287 61.300 -0.023 0.000 1.369 187 I CB -2.008 35.988 38.000 -0.007 0.000 1.410 187 I HN 0.277 8.372 8.210 -0.014 0.107 0.523 188 S N 8.462 124.133 115.700 -0.049 0.000 2.559 188 S HA 0.095 4.539 4.470 -0.043 0.000 0.226 188 S C -1.682 172.888 174.600 -0.049 0.000 1.030 188 S CA 0.426 58.594 58.200 -0.053 0.000 0.956 188 S CB 1.378 64.538 63.200 -0.066 0.000 0.900 188 S HN 0.029 8.299 8.310 -0.068 0.000 0.510 189 A N 0.239 123.037 122.820 -0.037 0.000 2.398 189 A HA 0.456 4.791 4.320 0.025 0.000 0.301 189 A C -2.833 174.836 177.584 0.141 0.000 1.041 189 A CA -0.807 51.249 52.037 0.032 0.000 0.711 189 A CB 2.865 21.873 19.000 0.013 0.000 1.240 189 A HN -0.505 7.610 8.150 -0.057 0.000 0.420 190 V N -0.430 119.602 119.914 0.196 0.000 2.760 190 V HA 0.498 4.809 4.120 0.319 0.000 0.309 190 V C -1.954 174.356 176.094 0.360 0.000 1.077 190 V CA -2.974 59.515 62.300 0.315 0.000 0.910 190 V CB 3.015 35.080 31.823 0.402 0.000 1.008 190 V HN 0.067 8.331 8.190 0.123 0.000 0.424 191 K N 2.135 122.742 120.400 0.345 0.000 2.525 191 K HA 0.395 4.974 4.320 0.431 0.000 0.254 191 K C -2.643 174.123 176.600 0.276 0.000 0.934 191 K CA -0.442 56.026 56.287 0.303 0.000 0.802 191 K CB 3.283 35.785 32.500 0.004 0.000 1.295 191 K HN -0.511 7.873 8.250 0.224 0.000 0.433 192 F N -0.138 119.973 119.950 0.268 0.000 2.620 192 F HA 0.580 5.420 4.527 0.341 -0.109 0.320 192 F C -0.883 175.104 175.800 0.313 0.000 1.069 192 F CA -1.654 56.527 58.000 0.301 0.000 0.953 192 F CB 4.779 43.930 39.000 0.252 0.000 1.322 192 F HN 0.195 8.870 8.300 0.625 0.000 0.479 193 E N -1.919 118.561 120.200 0.466 0.000 2.277 193 E HA 0.623 5.289 4.350 0.362 -0.099 0.266 193 E C -1.433 175.418 176.600 0.418 0.000 0.901 193 E CA -1.747 54.873 56.400 0.366 0.000 0.782 193 E CB 4.006 33.847 29.700 0.235 0.000 1.228 193 E HN 0.524 9.132 8.360 0.414 0.000 0.424 194 Y N -0.704 119.626 120.300 0.050 0.000 2.713 194 Y HA 0.251 4.784 4.550 -0.028 0.000 0.335 194 Y C -3.217 172.638 175.900 -0.075 0.000 1.222 194 Y CA -1.931 56.158 58.100 -0.019 0.000 1.061 194 Y CB 1.610 40.062 38.460 -0.012 0.000 1.314 194 Y HN 0.085 8.413 8.280 0.081 0.000 0.453 195 N N 0.695 119.372 118.700 -0.038 0.000 2.483 195 N HA 0.279 5.014 4.740 -0.244 -0.142 0.267 195 N C -1.447 174.008 175.510 -0.091 0.000 0.998 195 N CA -0.670 52.294 53.050 -0.143 0.000 0.918 195 N CB 1.898 40.326 38.487 -0.098 0.000 1.215 195 N HN 0.112 8.537 8.380 0.075 0.000 0.500 196 K N 2.565 122.861 120.400 -0.172 0.000 2.265 196 K HA 0.227 4.546 4.320 -0.000 0.000 0.267 196 K C 0.451 177.005 176.600 -0.078 0.000 0.994 196 K CA -0.929 55.312 56.287 -0.077 0.000 0.860 196 K CB 0.982 33.439 32.500 -0.071 0.000 1.099 196 K HN -0.324 7.748 8.250 -0.296 0.000 0.448 197 G N 6.793 115.568 108.800 -0.042 0.000 5.059 197 G HA2 -0.495 3.451 3.960 -0.024 0.000 0.336 197 G HA3 -0.495 3.441 3.960 -0.039 0.000 0.336 197 G C -0.398 174.476 174.900 -0.044 0.000 1.364 197 G CA 1.482 46.560 45.100 -0.037 0.000 1.020 197 G HN 0.645 8.922 8.290 -0.022 0.000 0.807 198 A N 3.149 125.934 122.820 -0.057 0.000 2.701 198 A HA 0.157 4.445 4.320 -0.052 0.000 0.241 198 A C -0.320 177.219 177.584 -0.076 0.000 1.231 198 A CA -0.060 51.943 52.037 -0.057 0.000 1.003 198 A CB 1.508 20.483 19.000 -0.043 0.000 1.281 198 A HN -0.106 7.982 8.150 -0.066 0.023 0.600 199 E N 0.560 120.699 120.200 -0.102 0.000 2.369 199 E HA -0.055 4.232 4.350 -0.106 0.000 0.255 199 E C -1.649 174.853 176.600 -0.163 0.000 1.172 199 E CA -0.718 55.603 56.400 -0.132 0.000 0.932 199 E CB 0.965 30.567 29.700 -0.164 0.000 1.040 199 E HN -0.088 8.119 8.360 -0.104 0.091 0.454 200 N N 0.734 119.331 118.700 -0.171 0.000 2.576 200 N HA 0.127 4.757 4.740 -0.184 0.000 0.269 200 N C -1.310 174.072 175.510 -0.213 0.000 1.058 200 N CA -0.516 52.432 53.050 -0.170 0.000 0.860 200 N CB 0.987 39.412 38.487 -0.103 0.000 1.249 200 N HN 0.067 8.355 8.380 -0.153 0.000 0.525 201 I N 6.965 127.330 120.570 -0.343 0.000 2.312 201 I HA 0.141 4.151 4.170 -0.268 0.000 0.291 201 I C -1.945 174.075 176.117 -0.162 0.000 1.031 201 I CA -1.978 59.104 61.300 -0.363 0.000 1.293 201 I CB -1.084 36.413 38.000 -0.839 0.000 1.403 201 I HN 0.939 8.897 8.210 -0.420 0.000 0.484 202 V N 8.024 127.883 119.914 -0.092 0.000 2.487 202 V HA 0.246 4.363 4.120 -0.004 0.000 0.298 202 V C -0.234 175.831 176.094 -0.048 0.000 1.028 202 V CA -1.000 61.273 62.300 -0.044 0.000 0.860 202 V CB 1.587 33.379 31.823 -0.051 0.000 0.991 202 V HN 0.294 8.421 8.190 -0.105 0.000 0.427 203 G N 5.281 114.047 108.800 -0.056 0.000 2.250 203 G HA2 -0.063 3.795 3.960 -0.169 0.000 0.196 203 G HA3 -0.063 3.871 3.960 -0.043 0.000 0.196 203 G C -1.402 173.501 174.900 0.005 0.000 1.308 203 G CA -0.385 44.670 45.100 -0.075 0.000 1.207 203 G HN 0.180 8.440 8.290 -0.050 0.000 0.505 204 G N -0.714 108.126 108.800 0.067 0.000 2.175 204 G HA2 -0.251 3.828 3.960 0.199 0.000 0.182 204 G HA3 -0.251 3.848 3.960 0.231 0.000 0.182 204 G C -0.925 174.066 174.900 0.151 0.000 1.003 204 G CA -0.322 44.876 45.100 0.164 0.000 0.666 204 G HN 0.061 8.381 8.290 0.051 0.000 0.506 205 E N 0.020 120.271 120.200 0.086 0.000 2.238 205 E HA -0.201 4.234 4.350 0.141 0.000 0.264 205 E C -0.258 176.425 176.600 0.138 0.000 1.136 205 E CA 0.490 56.955 56.400 0.108 0.000 0.929 205 E CB -0.108 29.639 29.700 0.078 0.000 1.010 205 E HN -0.055 8.325 8.360 0.033 0.000 0.440 206 H N 6.627 125.699 119.070 0.003 0.000 2.575 206 H HA 0.155 4.701 4.556 -0.016 0.000 0.256 206 H C -1.529 173.729 175.328 -0.117 0.000 1.162 206 H CA -1.176 54.841 56.048 -0.053 0.000 0.969 206 H CB 0.961 30.673 29.762 -0.082 0.000 1.796 206 H HN 0.430 8.802 8.280 0.154 0.000 0.607 207 G N -1.593 107.141 108.800 -0.109 0.000 2.788 207 G HA2 0.104 3.955 3.960 -0.183 0.000 0.293 207 G HA3 0.104 4.145 3.960 -0.090 -0.135 0.293 207 G C -2.157 172.706 174.900 -0.063 0.000 1.392 207 G CA -0.051 44.978 45.100 -0.118 0.000 0.810 207 G HN -0.632 7.647 8.290 -0.018 0.000 0.508 208 K N 1.936 122.300 120.400 -0.060 0.000 2.183 208 K HA 0.443 4.740 4.320 -0.039 0.000 0.272 208 K C -1.437 175.131 176.600 -0.053 0.000 1.113 208 K CA -3.126 53.133 56.287 -0.047 0.000 0.949 208 K CB -0.048 32.422 32.500 -0.049 0.000 1.365 208 K HN -0.174 8.036 8.250 -0.068 0.000 0.420 209 P HA 0.104 4.406 4.420 -0.197 0.000 0.272 209 P C -0.497 176.742 177.300 -0.102 0.000 1.240 209 P CA -0.319 62.726 63.100 -0.092 0.000 0.791 209 P CB 0.944 32.663 31.700 0.031 0.000 0.978 210 T N -0.650 113.809 114.554 -0.159 0.000 2.865 210 T HA 0.307 4.615 4.350 -0.069 0.000 0.294 210 T C 0.980 175.621 174.700 -0.099 0.000 1.119 210 T CA -1.248 60.788 62.100 -0.107 0.000 1.007 210 T CB 2.226 71.030 68.868 -0.107 0.000 1.225 210 T HN -0.094 7.983 8.240 -0.273 0.000 0.515 211 L N 0.486 121.676 121.223 -0.056 0.000 2.642 211 L HA -0.043 4.283 4.340 -0.022 0.000 0.236 211 L C -0.387 176.459 176.870 -0.039 0.000 1.169 211 L CA 2.080 56.900 54.840 -0.034 0.000 0.851 211 L CB -0.561 41.488 42.059 -0.017 0.000 0.968 211 L HN 0.494 8.696 8.230 -0.047 0.000 0.453 212 L N -2.369 118.813 121.223 -0.069 0.000 2.551 212 L HA -0.178 4.142 4.340 -0.033 0.000 0.228 212 L C 0.718 177.550 176.870 -0.063 0.000 1.153 212 L CA -0.028 54.775 54.840 -0.062 0.000 0.851 212 L CB -0.054 41.959 42.059 -0.076 0.000 0.959 212 L HN -0.315 7.754 8.230 -0.093 0.105 0.451 213 G N -1.637 107.112 108.800 -0.084 0.000 2.525 213 G HA2 -0.315 3.676 3.960 0.052 0.000 0.248 213 G HA3 -0.315 3.678 3.960 0.054 0.000 0.248 213 G C -1.911 172.902 174.900 -0.144 0.000 1.238 213 G CA -0.003 45.089 45.100 -0.013 0.000 0.926 213 G HN -0.673 7.486 8.290 -0.103 0.069 0.574 214 F N -0.090 119.897 119.950 0.061 0.000 2.626 214 F HA 0.665 5.402 4.527 0.081 -0.162 0.311 214 F C -0.881 175.000 175.800 0.135 0.000 1.088 214 F CA -1.452 56.605 58.000 0.094 0.000 0.949 214 F CB 4.196 43.254 39.000 0.096 0.000 1.322 214 F HN -0.024 8.433 8.300 0.262 0.000 0.461 215 E N 0.107 120.539 120.200 0.385 0.000 2.244 215 E HA 0.330 4.839 4.350 0.265 0.000 0.266 215 E C -1.690 175.081 176.600 0.285 0.000 0.914 215 E CA -1.218 55.370 56.400 0.314 0.000 0.794 215 E CB 3.265 33.181 29.700 0.360 0.000 1.210 215 E HN 0.670 9.283 8.360 0.422 0.000 0.414 216 E N 0.683 120.992 120.200 0.181 0.000 2.343 216 E HA 0.751 5.105 4.350 -0.283 -0.174 0.278 216 E C -1.647 174.988 176.600 0.059 0.000 0.910 216 E CA -1.491 54.863 56.400 -0.076 0.000 0.757 216 E CB 2.847 32.434 29.700 -0.189 0.000 1.218 216 E HN 0.230 8.714 8.360 0.206 0.000 0.435 217 F N 3.528 123.337 119.950 -0.236 0.000 2.574 217 F HA 0.278 4.762 4.527 -0.072 0.000 0.313 217 F C -2.405 173.285 175.800 -0.183 0.000 1.130 217 F CA -1.544 56.386 58.000 -0.116 0.000 0.936 217 F CB 3.651 42.671 39.000 0.033 0.000 1.219 217 F HN 0.333 8.487 8.300 -0.243 0.000 0.445 218 E N 8.150 128.296 120.200 -0.089 0.000 2.070 218 E HA 0.155 4.339 4.350 -0.277 0.000 0.261 218 E C -1.899 174.418 176.600 -0.472 0.000 0.926 218 E CA -1.765 54.488 56.400 -0.246 0.000 0.760 218 E CB 0.753 30.406 29.700 -0.078 0.000 1.133 218 E HN 0.216 8.739 8.360 0.272 0.000 0.420 219 I N 6.294 126.458 120.570 -0.677 0.000 2.575 219 I HA -0.110 3.575 4.170 -0.807 0.000 0.285 219 I C -0.284 175.721 176.117 -0.187 0.000 1.085 219 I CA -0.964 59.971 61.300 -0.610 0.000 1.403 219 I CB 0.744 38.412 38.000 -0.555 0.000 1.409 219 I HN 0.145 8.027 8.210 -0.546 0.000 0.557 220 D N 10.200 130.550 120.400 -0.084 0.000 2.455 220 D HA 0.015 4.679 4.640 0.040 0.000 0.234 220 D C 0.387 176.735 176.300 0.080 0.000 1.224 220 D CA -0.417 53.598 54.000 0.025 0.000 0.999 220 D CB -0.661 40.163 40.800 0.041 0.000 1.072 220 D HN 0.605 8.917 8.370 -0.097 0.000 0.514 221 Y N 7.766 128.056 120.300 -0.015 0.000 2.040 221 Y HA -0.358 4.207 4.550 0.026 0.000 0.275 221 Y C -1.393 174.532 175.900 0.042 0.000 1.171 221 Y CA 4.173 62.284 58.100 0.018 0.000 1.123 221 Y CB -1.147 37.323 38.460 0.018 0.000 0.963 221 Y HN -0.279 8.128 8.280 0.212 0.000 0.493 222 P HA 0.004 4.422 4.420 -0.003 0.000 0.237 222 P C -0.412 176.909 177.300 0.035 0.000 1.178 222 P CA 1.092 64.246 63.100 0.090 0.000 0.766 222 P CB 0.052 31.849 31.700 0.162 0.000 0.876 223 S N -1.286 114.443 115.700 0.049 0.000 2.502 223 S HA 0.018 4.520 4.470 0.053 0.000 0.228 223 S C 0.071 174.718 174.600 0.078 0.000 1.061 223 S CA 1.685 59.919 58.200 0.056 0.000 0.935 223 S CB 1.258 64.494 63.200 0.059 0.000 0.809 223 S HN -0.383 7.800 8.310 0.063 0.165 0.510 224 E N -2.011 118.235 120.200 0.077 0.000 2.393 224 E HA 0.267 4.726 4.350 0.181 0.000 0.265 224 E C -2.082 174.618 176.600 0.166 0.000 0.941 224 E CA -1.531 54.939 56.400 0.116 0.000 0.801 224 E CB 3.995 33.727 29.700 0.053 0.000 1.313 224 E HN -0.263 8.127 8.360 0.049 0.000 0.435 225 Y N -4.099 116.192 120.300 -0.013 0.000 2.552 225 Y HA 0.380 4.899 4.550 -0.052 0.000 0.337 225 Y C -1.780 174.155 175.900 0.059 0.000 1.094 225 Y CA -1.253 56.838 58.100 -0.015 0.000 1.028 225 Y CB 1.295 39.734 38.460 -0.034 0.000 1.321 225 Y HN -0.363 7.871 8.280 -0.077 0.000 0.456 226 I N 2.627 123.300 120.570 0.172 0.000 2.329 226 I HA 0.133 4.524 4.170 0.105 -0.158 0.295 226 I C 0.718 176.965 176.117 0.216 0.000 1.109 226 I CA -0.645 60.761 61.300 0.176 0.000 1.297 226 I CB -1.285 36.894 38.000 0.298 0.000 1.433 226 I HN 0.540 8.887 8.210 0.229 0.000 0.509 227 T N 7.418 122.002 114.554 0.051 0.000 2.951 227 T HA -0.245 4.358 4.350 0.423 0.000 0.268 227 T C -0.846 173.964 174.700 0.184 0.000 1.073 227 T CA 1.404 63.605 62.100 0.168 0.000 1.134 227 T CB 0.409 69.255 68.868 -0.037 0.000 0.884 227 T HN -0.003 8.163 8.240 -0.124 0.000 0.479 228 A N -4.099 118.812 122.820 0.151 0.000 2.564 228 A HA 0.417 4.931 4.320 0.161 -0.097 0.291 228 A C -2.578 175.076 177.584 0.117 0.000 1.102 228 A CA -0.617 51.501 52.037 0.135 0.000 0.660 228 A CB 2.369 21.421 19.000 0.086 0.000 1.283 228 A HN -0.774 7.461 8.150 0.141 0.000 0.430 229 V N -1.580 118.361 119.914 0.045 0.000 2.864 229 V HA 0.363 4.379 4.120 -0.175 0.000 0.314 229 V C -1.048 174.902 176.094 -0.239 0.000 1.073 229 V CA -0.892 61.329 62.300 -0.131 0.000 0.956 229 V CB 3.310 35.060 31.823 -0.123 0.000 1.023 229 V HN 0.111 8.340 8.190 0.065 0.000 0.435 230 E N 1.519 121.471 120.200 -0.414 0.000 2.410 230 E HA 0.911 5.115 4.350 -0.520 -0.166 0.269 230 E C -0.870 175.271 176.600 -0.765 0.000 0.937 230 E CA -2.262 53.839 56.400 -0.498 0.000 0.793 230 E CB 5.066 34.595 29.700 -0.285 0.000 1.314 230 E HN 0.588 8.539 8.360 -0.519 0.098 0.447 231 G N -1.852 106.431 108.800 -0.862 0.000 2.325 231 G HA2 0.352 4.158 3.960 -0.408 0.000 0.297 231 G HA3 0.352 3.737 3.960 -0.959 0.000 0.297 231 G C -2.965 171.658 174.900 -0.462 0.000 1.448 231 G CA 0.897 45.559 45.100 -0.730 0.000 0.838 231 G HN -0.149 7.690 8.290 -0.751 0.000 0.579 232 T N -1.549 112.941 114.554 -0.106 0.000 2.921 232 T HA 1.014 5.481 4.350 -0.076 -0.162 0.297 232 T C -1.597 173.179 174.700 0.126 0.000 1.013 232 T CA -2.129 59.950 62.100 -0.035 0.000 0.990 232 T CB 2.991 71.801 68.868 -0.096 0.000 1.023 232 T HN 0.482 8.687 8.240 -0.058 0.000 0.447 233 Y N 0.884 121.288 120.300 0.173 0.000 2.393 233 Y HA 0.596 5.263 4.550 0.075 -0.073 0.341 233 Y C -2.554 173.376 175.900 0.050 0.000 0.988 233 Y CA -3.010 55.147 58.100 0.095 0.000 1.078 233 Y CB 2.228 40.723 38.460 0.059 0.000 1.203 233 Y HN 0.908 8.909 8.280 -0.464 0.000 0.453 234 D N 0.973 121.499 120.400 0.211 0.000 2.342 234 D HA 0.351 5.077 4.640 0.143 0.000 0.243 234 D C -0.581 175.800 176.300 0.135 0.000 1.019 234 D CA -2.464 51.621 54.000 0.141 0.000 0.864 234 D CB 3.749 44.595 40.800 0.077 0.000 1.315 234 D HN -0.114 8.363 8.370 0.180 0.000 0.468 235 K N 2.090 122.566 120.400 0.125 0.000 2.416 235 K HA -0.106 4.260 4.320 0.077 0.000 0.283 235 K C -0.089 176.551 176.600 0.067 0.000 1.037 235 K CA -0.100 56.243 56.287 0.093 0.000 0.995 235 K CB -0.436 32.125 32.500 0.102 0.000 0.938 235 K HN 0.196 8.521 8.250 0.126 0.000 0.475 236 I N 2.522 123.090 120.570 -0.004 0.000 2.713 236 I HA 0.042 4.140 4.170 -0.121 0.000 0.300 236 I C -1.448 174.635 176.117 -0.056 0.000 1.009 236 I CA -1.455 59.769 61.300 -0.127 0.000 1.305 236 I CB 0.819 38.677 38.000 -0.237 0.000 1.430 236 I HN -0.203 8.000 8.210 -0.011 0.000 0.546 237 F N 0.070 120.031 119.950 0.018 0.000 2.375 237 F HA 0.266 4.805 4.527 0.020 0.000 0.317 237 F C 1.225 177.037 175.800 0.019 0.000 1.124 237 F CA -1.273 56.738 58.000 0.018 0.000 1.050 237 F CB 0.763 39.771 39.000 0.014 0.000 1.314 237 F HN -0.330 7.367 8.300 -1.005 0.000 0.511 238 G N -1.550 107.407 108.800 0.261 0.000 2.377 238 G HA2 -0.266 3.790 3.960 0.161 0.000 0.250 238 G HA3 -0.266 3.779 3.960 0.142 0.000 0.250 238 G C -1.026 173.918 174.900 0.072 0.000 1.039 238 G CA 0.527 45.719 45.100 0.153 0.000 0.625 238 G HN 0.422 8.899 8.290 0.313 0.000 0.526 239 S N -0.907 114.820 115.700 0.045 0.000 2.651 239 S HA 0.186 4.677 4.470 0.034 0.000 0.279 239 S C -1.417 173.203 174.600 0.033 0.000 1.148 239 S CA -1.123 57.096 58.200 0.032 0.000 0.837 239 S CB 2.811 66.024 63.200 0.021 0.000 1.138 239 S HN -0.880 7.354 8.310 0.035 0.097 0.478 240 D N 0.645 121.061 120.400 0.028 0.000 2.324 240 D HA 0.019 4.678 4.640 0.032 0.000 0.235 240 D C 0.403 176.716 176.300 0.022 0.000 1.095 240 D CA 0.563 54.578 54.000 0.025 0.000 0.871 240 D CB 0.180 40.990 40.800 0.016 0.000 0.906 240 D HN 0.138 8.522 8.370 0.023 0.000 0.522 241 G N -1.424 107.396 108.800 0.034 0.000 2.611 241 G HA2 0.256 4.257 3.960 0.068 0.000 0.273 241 G HA3 0.256 4.290 3.960 0.124 0.000 0.273 241 G C -1.857 173.048 174.900 0.010 0.000 1.305 241 G CA -0.514 44.623 45.100 0.062 0.000 1.010 241 G HN -0.515 7.693 8.290 0.034 0.103 0.509 242 L N -3.198 118.014 121.223 -0.018 0.000 2.491 242 L HA 0.395 4.708 4.340 -0.045 0.000 0.254 242 L C -1.838 174.928 176.870 -0.173 0.000 1.048 242 L CA -0.679 54.111 54.840 -0.083 0.000 0.855 242 L CB 4.285 46.247 42.059 -0.162 0.000 1.466 242 L HN -0.195 8.065 8.230 0.050 0.000 0.409 243 I N -2.535 117.965 120.570 -0.117 0.000 3.279 243 I HA 0.400 4.452 4.170 -0.197 0.000 0.315 243 I C -2.405 173.716 176.117 0.007 0.000 1.225 243 I CA -1.869 59.355 61.300 -0.128 0.000 0.947 243 I CB 4.751 42.654 38.000 -0.163 0.000 1.293 243 I HN -0.313 7.880 8.210 -0.029 0.000 0.468 244 I N -3.765 116.818 120.570 0.022 0.000 2.468 244 I HA 0.538 4.805 4.170 0.161 0.000 0.284 244 I C -1.546 174.599 176.117 0.046 0.000 1.038 244 I CA -1.039 60.318 61.300 0.094 0.000 1.083 244 I CB 1.634 39.710 38.000 0.128 0.000 1.223 244 I HN 0.345 8.541 8.210 -0.023 0.000 0.443 245 T N 8.523 123.108 114.554 0.051 0.000 3.054 245 T HA 0.220 4.580 4.350 0.017 0.000 0.255 245 T C -1.513 173.207 174.700 0.033 0.000 1.035 245 T CA 0.389 62.506 62.100 0.028 0.000 0.941 245 T CB 0.788 69.669 68.868 0.021 0.000 1.026 245 T HN 0.575 8.861 8.240 0.076 0.000 0.533 246 M N 2.378 121.998 119.600 0.033 0.000 2.182 246 M HA 0.577 5.311 4.480 0.052 -0.222 0.266 246 M C -3.234 173.054 176.300 -0.020 0.000 0.989 246 M CA -0.747 54.565 55.300 0.021 0.000 1.003 246 M CB 2.183 34.782 32.600 -0.001 0.000 1.812 246 M HN -0.813 7.506 8.290 0.048 0.000 0.472 247 L N 6.430 127.645 121.223 -0.013 0.000 2.385 247 L HA 0.470 4.650 4.340 -0.266 0.000 0.273 247 L C -1.939 174.905 176.870 -0.043 0.000 0.990 247 L CA -0.718 54.034 54.840 -0.147 0.000 0.821 247 L CB 3.025 44.955 42.059 -0.215 0.000 1.279 247 L HN 0.008 8.286 8.230 0.079 0.000 0.412 248 R N -0.699 119.665 120.500 -0.226 0.000 2.912 248 R HA 0.408 4.940 4.340 0.321 0.000 0.262 248 R C -1.569 174.534 176.300 -0.327 0.000 1.057 248 R CA -1.918 54.158 56.100 -0.040 0.000 0.981 248 R CB 4.780 35.058 30.300 -0.037 0.000 1.201 248 R HN 0.683 8.591 8.270 -0.419 0.110 0.484 249 F N -1.199 118.817 119.950 0.110 0.000 2.547 249 F HA 0.273 4.850 4.527 0.083 0.000 0.316 249 F C -0.897 174.955 175.800 0.086 0.000 1.121 249 F CA -0.930 57.140 58.000 0.117 0.000 0.911 249 F CB 3.185 42.306 39.000 0.202 0.000 1.179 249 F HN 0.421 8.980 8.300 0.432 0.000 0.443 250 K N 3.422 123.934 120.400 0.187 0.000 2.368 250 K HA 0.084 4.449 4.320 0.075 0.000 0.282 250 K C -0.792 175.869 176.600 0.102 0.000 1.035 250 K CA 0.569 56.915 56.287 0.097 0.000 0.973 250 K CB 0.521 33.045 32.500 0.040 0.000 0.957 250 K HN 0.534 8.889 8.250 0.175 0.000 0.474 251 T N 3.783 118.379 114.554 0.070 0.000 2.921 251 T HA 0.340 4.690 4.350 -0.001 0.000 0.297 251 T C -1.005 173.693 174.700 -0.003 0.000 1.013 251 T CA -1.325 60.807 62.100 0.053 0.000 0.990 251 T CB 2.617 71.590 68.868 0.176 0.000 1.023 251 T HN 0.166 8.440 8.240 0.055 0.000 0.447 252 N N 5.298 123.960 118.700 -0.065 0.000 2.472 252 N HA 0.056 4.776 4.740 -0.033 0.000 0.289 252 N C -0.082 175.424 175.510 -0.006 0.000 1.156 252 N CA -0.136 52.881 53.050 -0.055 0.000 0.940 252 N CB 0.656 39.073 38.487 -0.116 0.000 1.200 252 N HN 0.386 8.696 8.380 -0.117 0.000 0.511 253 K N -2.951 117.454 120.400 0.008 0.000 3.548 253 K HA -0.301 4.031 4.320 0.019 0.000 0.303 253 K C -1.058 175.565 176.600 0.037 0.000 1.234 253 K CA 1.824 58.126 56.287 0.025 0.000 1.024 253 K CB -0.463 32.058 32.500 0.035 0.000 1.306 253 K HN 0.560 8.811 8.250 0.001 0.000 0.423 254 Q N -3.927 115.903 119.800 0.050 0.000 2.587 254 Q HA 0.232 4.599 4.340 0.044 0.000 0.293 254 Q C -1.221 174.798 176.000 0.031 0.000 1.083 254 Q CA -1.147 54.696 55.803 0.067 0.000 0.792 254 Q CB 2.266 31.108 28.738 0.173 0.000 1.484 254 Q HN -0.493 7.630 8.270 0.045 0.174 0.446 255 T N 1.787 116.327 114.554 -0.023 0.000 2.930 255 T HA 0.291 4.619 4.350 -0.037 0.000 0.313 255 T C -0.701 173.887 174.700 -0.187 0.000 1.019 255 T CA -0.503 61.551 62.100 -0.077 0.000 1.004 255 T CB 0.627 69.437 68.868 -0.097 0.000 0.987 255 T HN 0.152 8.364 8.240 -0.046 0.000 0.456 256 S N 6.369 122.006 115.700 -0.105 0.000 2.545 256 S HA 0.015 4.154 4.470 -0.551 0.000 0.275 256 S C -0.359 174.069 174.600 -0.286 0.000 1.299 256 S CA -0.211 57.885 58.200 -0.174 0.000 1.048 256 S CB 0.846 64.196 63.200 0.250 0.000 0.938 256 S HN -0.002 8.309 8.310 0.001 0.000 0.496 257 A N 3.895 126.374 122.820 -0.567 0.000 2.466 257 A HA 0.154 4.204 4.320 -0.450 0.000 0.238 257 A C -1.155 175.973 177.584 -0.761 0.000 1.074 257 A CA -1.549 50.071 52.037 -0.695 0.000 0.774 257 A CB -0.286 18.197 19.000 -0.861 0.000 1.015 257 A HN 0.262 8.019 8.150 -0.655 0.000 0.498 258 P HA 0.061 4.378 4.420 -0.172 0.000 0.256 258 P C -2.018 175.130 177.300 -0.254 0.000 1.689 258 P CA -0.447 62.493 63.100 -0.267 0.000 1.124 258 P CB -1.480 30.123 31.700 -0.160 0.000 1.766 259 F N 3.839 123.791 119.950 0.004 0.000 2.506 259 F HA -0.196 4.335 4.527 0.006 0.000 0.369 259 F C 0.318 176.114 175.800 -0.007 0.000 1.114 259 F CA 0.574 58.581 58.000 0.013 0.000 1.121 259 F CB -0.887 38.146 39.000 0.055 0.000 1.104 259 F HN -0.457 7.803 8.300 -0.068 0.000 0.564 260 G N 3.964 112.829 108.800 0.107 0.000 2.549 260 G HA2 -0.295 3.820 3.960 0.048 0.000 0.404 260 G HA3 -0.295 3.916 3.960 0.065 -0.211 0.404 260 G C -2.018 172.889 174.900 0.013 0.000 1.292 260 G CA -0.796 44.338 45.100 0.057 0.000 0.935 260 G HN -0.352 7.982 8.290 0.074 0.000 0.512 261 L N 1.701 122.928 121.223 0.007 0.000 2.316 261 L HA 0.381 4.711 4.340 -0.017 0.000 0.280 261 L C -0.874 175.990 176.870 -0.010 0.000 1.006 261 L CA -1.242 53.594 54.840 -0.007 0.000 0.836 261 L CB 1.575 43.631 42.059 -0.004 0.000 1.221 261 L HN -0.017 8.222 8.230 0.015 0.000 0.418 262 E N 6.428 126.614 120.200 -0.023 0.000 2.415 262 E HA -0.270 4.059 4.350 -0.035 0.000 0.263 262 E C -0.722 175.862 176.600 -0.027 0.000 0.995 262 E CA 0.541 56.921 56.400 -0.033 0.000 0.915 262 E CB 0.472 30.144 29.700 -0.047 0.000 0.951 262 E HN 0.196 8.538 8.360 -0.029 0.000 0.449 263 A N 5.396 128.199 122.820 -0.028 0.000 2.522 263 A HA 0.105 4.408 4.320 -0.028 0.000 0.291 263 A C -2.101 175.464 177.584 -0.031 0.000 1.039 263 A CA -0.152 51.872 52.037 -0.022 0.000 0.643 263 A CB 1.453 20.451 19.000 -0.004 0.000 1.310 263 A HN -0.147 7.983 8.150 -0.034 0.000 0.436 264 G N -2.150 106.632 108.800 -0.030 0.000 2.681 264 G HA2 -0.244 3.832 3.960 -0.013 0.000 0.220 264 G HA3 -0.244 3.746 3.960 -0.032 -0.049 0.220 264 G C -0.828 173.991 174.900 -0.135 0.000 1.353 264 G CA -0.332 44.740 45.100 -0.047 0.000 0.872 264 G HN -0.097 8.181 8.290 -0.019 0.000 0.557 265 T N 4.014 118.401 114.554 -0.277 0.000 2.897 265 T HA 0.117 4.334 4.350 -0.221 0.000 0.294 265 T C -0.944 173.426 174.700 -0.550 0.000 1.004 265 T CA 0.727 62.582 62.100 -0.408 0.000 1.106 265 T CB 1.047 69.634 68.868 -0.469 0.000 0.949 265 T HN 0.208 8.275 8.240 -0.289 0.000 0.520 266 A N 4.059 126.703 122.820 -0.293 0.000 2.306 266 A HA 0.673 5.037 4.320 -0.181 -0.153 0.330 266 A C -1.259 176.326 177.584 0.003 0.000 1.146 266 A CA -1.162 50.773 52.037 -0.170 0.000 0.827 266 A CB 2.501 21.428 19.000 -0.121 0.000 1.178 266 A HN 0.289 8.321 8.150 -0.198 0.000 0.490 267 F N -1.171 118.716 119.950 -0.105 0.000 2.643 267 F HA 0.473 5.010 4.527 0.017 0.000 0.314 267 F C -2.908 172.892 175.800 -0.001 0.000 1.096 267 F CA -1.898 56.108 58.000 0.011 0.000 0.953 267 F CB 3.170 42.264 39.000 0.158 0.000 1.345 267 F HN 0.733 8.945 8.300 -0.147 0.000 0.468 268 E N -0.850 119.438 120.200 0.147 0.000 2.392 268 E HA 0.420 4.801 4.350 -0.188 -0.144 0.279 268 E C -1.994 174.712 176.600 0.178 0.000 0.964 268 E CA -1.293 55.116 56.400 0.015 0.000 0.777 268 E CB 3.627 33.320 29.700 -0.012 0.000 1.249 268 E HN -0.073 8.490 8.360 0.337 0.000 0.449 269 L N 1.974 123.276 121.223 0.131 0.000 2.415 269 L HA 0.352 4.796 4.340 0.173 0.000 0.268 269 L C -1.526 175.422 176.870 0.129 0.000 0.984 269 L CA -0.367 54.574 54.840 0.168 0.000 0.853 269 L CB 0.993 43.186 42.059 0.223 0.000 1.215 269 L HN 0.351 8.610 8.230 0.049 0.000 0.419 270 K N 2.339 122.807 120.400 0.114 0.000 2.464 270 K HA 0.374 4.769 4.320 0.125 0.000 0.253 270 K C -1.210 175.446 176.600 0.093 0.000 0.933 270 K CA -0.957 55.394 56.287 0.107 0.000 0.801 270 K CB 2.716 35.270 32.500 0.089 0.000 1.271 270 K HN 0.169 8.485 8.250 0.110 0.000 0.430 271 E N 1.477 121.737 120.200 0.101 0.000 2.383 271 E HA 0.103 4.489 4.350 0.059 0.000 0.275 271 E C -1.550 175.133 176.600 0.137 0.000 0.918 271 E CA -0.810 55.637 56.400 0.077 0.000 0.764 271 E CB 3.051 32.748 29.700 -0.005 0.000 1.252 271 E HN 0.263 8.700 8.360 0.128 0.000 0.449 272 E N 2.343 122.634 120.200 0.152 0.000 2.313 272 E HA 0.091 4.530 4.350 0.150 0.000 0.272 272 E C 1.024 177.771 176.600 0.245 0.000 1.038 272 E CA -0.125 56.376 56.400 0.169 0.000 0.863 272 E CB 1.243 31.015 29.700 0.120 0.000 1.060 272 E HN 0.344 8.776 8.360 0.121 0.000 0.402 273 G N 6.239 115.122 108.800 0.140 0.000 2.674 273 G HA2 -0.470 3.488 3.960 -0.003 0.000 0.236 273 G HA3 -0.470 3.471 3.960 -0.031 0.000 0.236 273 G C -0.091 174.802 174.900 -0.011 0.000 1.178 273 G CA 0.982 46.098 45.100 0.027 0.000 0.721 273 G HN 0.643 9.005 8.290 0.121 0.000 0.515 274 H N 2.824 121.912 119.070 0.031 0.000 2.679 274 H HA 0.163 4.856 4.556 0.014 -0.129 0.369 274 H C -0.264 175.102 175.328 0.062 0.000 1.178 274 H CA 1.683 57.752 56.048 0.035 0.000 1.419 274 H CB 0.568 30.360 29.762 0.049 0.000 1.458 274 H HN -0.185 8.250 8.280 0.452 0.116 0.605 275 K N -2.621 117.892 120.400 0.188 0.000 2.378 275 K HA 0.442 4.898 4.320 0.227 0.000 0.244 275 K C -1.170 175.538 176.600 0.180 0.000 1.039 275 K CA -1.643 54.748 56.287 0.173 0.000 0.863 275 K CB 4.686 37.239 32.500 0.088 0.000 1.326 275 K HN 0.192 8.548 8.250 0.177 0.000 0.460 276 I N -1.436 119.246 120.570 0.187 0.000 2.460 276 I HA 0.159 4.563 4.170 0.159 -0.139 0.298 276 I C 0.002 176.175 176.117 0.094 0.000 0.989 276 I CA -0.253 61.147 61.300 0.168 0.000 1.173 276 I CB 1.501 39.653 38.000 0.254 0.000 1.338 276 I HN 0.463 8.798 8.210 0.208 0.000 0.456 277 V N -2.206 117.715 119.914 0.011 0.000 3.432 277 V HA 0.363 4.449 4.120 -0.057 0.000 0.290 277 V C -0.898 175.029 176.094 -0.277 0.000 1.591 277 V CA -1.017 61.243 62.300 -0.067 0.000 1.069 277 V CB 2.121 33.960 31.823 0.027 0.000 0.892 277 V HN 0.332 8.538 8.190 0.027 0.000 0.436 278 G N -1.525 107.066 108.800 -0.348 0.000 2.673 278 G HA2 0.333 3.808 3.960 -0.912 0.000 0.292 278 G HA3 0.333 4.159 3.960 -0.394 -0.103 0.292 278 G C -3.071 171.516 174.900 -0.521 0.000 1.450 278 G CA 0.190 44.945 45.100 -0.575 0.000 0.837 278 G HN -0.631 7.550 8.290 -0.183 0.000 0.505 279 F N -2.387 117.224 119.950 -0.564 0.000 2.541 279 F HA 0.789 5.055 4.527 -0.653 -0.130 0.331 279 F C -1.092 174.167 175.800 -0.902 0.000 1.057 279 F CA -3.466 54.081 58.000 -0.754 0.000 0.975 279 F CB 4.275 42.750 39.000 -0.874 0.000 1.246 279 F HN 0.073 8.524 8.300 -0.718 -0.582 0.484 280 H N -3.102 115.466 119.070 -0.836 0.000 3.029 280 H HA 0.281 4.310 4.556 -0.878 0.000 0.358 280 H C -1.962 172.878 175.328 -0.814 0.000 1.129 280 H CA -1.228 54.336 56.048 -0.806 0.000 1.230 280 H CB 3.066 32.494 29.762 -0.556 0.000 1.827 280 H HN 0.285 8.015 8.280 -0.916 0.000 0.530 281 G N 0.254 108.458 108.800 -0.994 0.000 2.336 281 G HA2 0.121 3.786 3.960 -0.492 0.000 0.286 281 G HA3 0.121 3.826 3.960 -0.692 -0.161 0.286 281 G C -3.014 171.582 174.900 -0.508 0.000 1.269 281 G CA 0.528 45.205 45.100 -0.706 0.000 0.873 281 G HN 0.025 7.755 8.290 -0.933 0.000 0.494 282 K N -2.258 118.129 120.400 -0.022 0.000 2.523 282 K HA 0.872 5.517 4.320 0.309 -0.139 0.257 282 K C -2.373 174.543 176.600 0.527 0.000 0.932 282 K CA -1.166 55.275 56.287 0.257 0.000 0.812 282 K CB 4.082 36.639 32.500 0.095 0.000 1.326 282 K HN 0.097 8.402 8.250 0.091 0.000 0.433 283 A N 2.011 125.144 122.820 0.522 0.000 2.594 283 A HA 0.590 5.184 4.320 0.264 -0.115 0.296 283 A C -2.263 175.411 177.584 0.150 0.000 1.061 283 A CA -0.192 52.007 52.037 0.269 0.000 0.689 283 A CB 3.106 22.141 19.000 0.059 0.000 1.280 283 A HN 0.725 9.215 8.150 0.567 0.000 0.406 284 S N 0.214 115.954 115.700 0.067 0.000 2.769 284 S HA 0.124 4.587 4.470 -0.013 0.000 0.258 284 S C -0.164 174.411 174.600 -0.041 0.000 1.080 284 S CA 0.940 59.144 58.200 0.006 0.000 0.943 284 S CB 2.023 65.235 63.200 0.020 0.000 0.893 284 S HN 0.885 9.254 8.310 0.098 0.000 0.490 285 E N -1.231 118.964 120.200 -0.008 0.000 3.590 285 E HA 0.145 4.457 4.350 -0.063 0.000 0.223 285 E C -1.985 174.601 176.600 -0.023 0.000 1.195 285 E CA 0.928 57.311 56.400 -0.027 0.000 1.670 285 E CB 2.114 31.811 29.700 -0.006 0.000 1.578 285 E HN 0.070 8.460 8.360 0.049 0.000 0.763 286 L N -1.686 119.552 121.223 0.026 0.000 2.334 286 L HA 0.131 4.449 4.340 -0.036 0.000 0.275 286 L C -1.350 175.545 176.870 0.041 0.000 1.036 286 L CA -1.276 53.561 54.840 -0.006 0.000 0.807 286 L CB 1.258 43.279 42.059 -0.063 0.000 1.231 286 L HN -0.450 7.829 8.230 0.081 0.000 0.438 287 L N 1.993 123.223 121.223 0.011 0.000 2.448 287 L HA 0.115 4.555 4.340 0.167 0.000 0.278 287 L C -0.344 176.573 176.870 0.078 0.000 1.201 287 L CA -1.097 53.805 54.840 0.103 0.000 1.036 287 L CB -2.287 39.851 42.059 0.131 0.000 1.325 287 L HN -0.114 8.102 8.230 -0.023 0.000 0.441 288 H N 4.284 123.407 119.070 0.088 0.000 2.276 288 H HA -0.107 4.449 4.556 0.000 0.000 0.301 288 H C 0.563 175.899 175.328 0.013 0.000 1.073 288 H CA 3.509 59.575 56.048 0.031 0.000 1.311 288 H CB 1.019 30.792 29.762 0.017 0.000 1.379 288 H HN -0.113 8.367 8.280 0.334 0.000 0.494 289 Q N -3.099 116.810 119.800 0.182 0.000 2.356 289 Q HA 0.265 4.588 4.340 -0.028 0.000 0.270 289 Q C -2.216 173.844 176.000 0.100 0.000 1.058 289 Q CA -1.290 54.541 55.803 0.046 0.000 0.802 289 Q CB 2.729 31.443 28.738 -0.040 0.000 1.303 289 Q HN -0.767 7.663 8.270 0.266 0.000 0.444 290 F N 6.880 126.748 119.950 -0.137 0.000 2.536 290 F HA 0.278 4.718 4.527 -0.144 0.000 0.322 290 F C -2.188 173.434 175.800 -0.297 0.000 1.144 290 F CA -0.958 56.949 58.000 -0.156 0.000 0.924 290 F CB 3.843 42.826 39.000 -0.029 0.000 1.181 290 F HN 0.257 8.580 8.300 0.039 0.000 0.438 291 G N 4.491 112.952 108.800 -0.566 0.000 2.733 291 G HA2 0.341 4.269 3.960 -0.053 0.000 0.288 291 G HA3 0.341 3.765 3.960 -0.893 0.000 0.288 291 G C -2.680 172.011 174.900 -0.349 0.000 1.373 291 G CA -0.930 43.888 45.100 -0.470 0.000 0.895 291 G HN 0.205 7.882 8.290 -1.022 0.000 0.479 292 V N -4.991 114.980 119.914 0.095 0.000 3.158 292 V HA 0.828 5.174 4.120 0.166 -0.127 0.311 292 V C -2.359 173.904 176.094 0.282 0.000 1.181 292 V CA -2.940 59.493 62.300 0.222 0.000 1.054 292 V CB 3.552 35.579 31.823 0.340 0.000 1.085 292 V HN -0.010 8.305 8.190 0.209 0.000 0.446 293 H N -2.510 116.655 119.070 0.158 0.000 2.797 293 H HA 0.455 5.013 4.556 0.003 0.000 0.362 293 H C -0.754 174.603 175.328 0.048 0.000 1.183 293 H CA -2.102 53.971 56.048 0.043 0.000 1.197 293 H CB 3.990 33.741 29.762 -0.019 0.000 1.835 293 H HN -0.530 7.868 8.280 0.196 0.000 0.567 294 V N -5.226 114.767 119.914 0.131 0.000 2.709 294 V HA 0.770 5.165 4.120 0.156 -0.182 0.308 294 V C -2.035 174.156 176.094 0.162 0.000 1.062 294 V CA -1.696 60.659 62.300 0.093 0.000 0.901 294 V CB 2.696 34.457 31.823 -0.103 0.000 1.003 294 V HN -0.343 7.882 8.190 0.058 0.000 0.425 295 M N 2.175 121.934 119.600 0.265 0.000 2.446 295 M HA 0.570 5.212 4.480 0.270 0.000 0.294 295 M C -2.870 173.525 176.300 0.159 0.000 1.158 295 M CA -2.354 53.087 55.300 0.234 0.000 0.899 295 M CB 4.650 37.317 32.600 0.112 0.000 1.687 295 M HN 0.385 8.820 8.290 0.242 0.000 0.455 296 P HA 0.116 4.297 4.420 -0.399 0.000 0.273 296 P C -2.005 175.231 177.300 -0.107 0.000 1.319 296 P CA 0.332 63.288 63.100 -0.239 0.000 0.885 296 P CB -0.837 30.691 31.700 -0.287 0.000 1.015 297 L N 4.434 125.599 121.223 -0.097 0.000 3.096 297 L HA 0.339 4.643 4.340 -0.060 0.000 0.272 297 L C -0.261 176.535 176.870 -0.123 0.000 1.311 297 L CA -0.828 53.963 54.840 -0.081 0.000 0.943 297 L CB 0.199 42.224 42.059 -0.057 0.000 1.348 297 L HN 0.061 8.226 8.230 -0.109 0.000 0.562 298 T N -0.573 113.908 114.554 -0.122 0.000 2.948 298 T HA 0.172 4.435 4.350 -0.144 0.000 0.285 298 T C -0.996 173.655 174.700 -0.082 0.000 1.019 298 T CA -1.902 60.126 62.100 -0.120 0.000 1.013 298 T CB 1.311 70.108 68.868 -0.119 0.000 1.117 298 T HN -0.464 7.647 8.240 -0.117 0.059 0.533 299 N N 0.000 118.659 118.700 -0.068 0.000 1.763 299 N HA 0.000 4.715 4.740 -0.041 0.000 0.220 299 N CA 0.000 53.023 53.050 -0.044 0.000 0.885 299 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 299 N HN 0.000 8.336 8.380 -0.073 0.000 0.667