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 1ea7_1_A DATA FIRST_RESID 1 DATA SEQUENCE RASQQIPWGI KAIYNNDTLT STTGGSGINI AVLDTGVNTS HPDLVNNVEQ DATA SEQUENCE CKDFTGATTP INNSCTDRNG HGTHVAGTAL ADGGSDQAGI YGVAPDADLW DATA SEQUENCE AYKVLLDSGS GYSDDIAAAI RHAADQATAT GTKTIISMSL GSSANNSLIS DATA SEQUENCE SAVNYAYSKG VLIVAAAGNS GYSQGTIGYP GALPNAIAVA ALENVQQNGT DATA SEQUENCE YRVADYSSRG YISTAGDYVI QEGDIEISAP GSSVYSTWYN GGYNTISGTX DATA SEQUENCE MATPHVSGLA AKIWAENPSL SNTQLRSNLQ ERAKSVDIKG GYGAAIGDDY DATA SEQUENCE ASGFGFARVQ 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 R HA 0.000 4.443 4.340 0.172 0.000 0.208 1 R C 0.000 176.426 176.300 0.209 0.000 0.893 1 R CA 0.000 56.214 56.100 0.190 0.000 0.921 1 R CB 0.000 30.452 30.300 0.253 0.000 0.687 2 A N 0.536 123.371 122.820 0.026 0.000 2.292 2 A HA 0.348 4.435 4.320 -0.388 0.000 0.319 2 A C -0.492 177.047 177.584 -0.074 0.000 1.206 2 A CA -0.916 50.998 52.037 -0.206 0.000 0.835 2 A CB 1.046 19.849 19.000 -0.329 0.000 1.164 2 A HN -0.118 8.054 8.150 0.037 0.000 0.505 3 S N 2.316 117.955 115.700 -0.102 0.000 2.406 3 S HA -0.090 4.309 4.470 -0.117 0.000 0.228 3 S C 0.502 174.943 174.600 -0.264 0.000 1.020 3 S CA 1.410 59.480 58.200 -0.216 0.000 0.965 3 S CB 0.292 63.295 63.200 -0.329 0.000 0.798 3 S HN 0.449 8.763 8.310 0.007 0.000 0.488 4 Q N -0.060 119.534 119.800 -0.343 0.000 2.294 4 Q HA 0.338 4.609 4.340 -0.114 0.000 0.264 4 Q C -0.967 175.025 176.000 -0.014 0.000 0.992 4 Q CA -0.551 55.146 55.803 -0.177 0.000 0.747 4 Q CB 1.787 30.394 28.738 -0.218 0.000 1.262 4 Q HN -0.388 7.616 8.270 -0.443 0.000 0.452 5 Q N 1.237 121.052 119.800 0.025 0.000 2.297 5 Q HA -0.134 4.251 4.340 0.074 0.000 0.204 5 Q C -0.668 175.429 176.000 0.163 0.000 0.962 5 Q CA 2.403 58.269 55.803 0.105 0.000 0.879 5 Q CB 0.912 29.747 28.738 0.161 0.000 0.947 5 Q HN 0.220 8.496 8.270 0.010 0.000 0.462 6 I N -3.149 117.475 120.570 0.091 0.000 2.537 6 I HA 0.537 4.754 4.170 0.078 0.000 0.276 6 I C -2.898 173.262 176.117 0.070 0.000 1.063 6 I CA -4.447 56.889 61.300 0.059 0.000 1.144 6 I CB -0.662 37.326 38.000 -0.019 0.000 1.252 6 I HN -0.142 8.074 8.210 0.060 0.030 0.480 7 P HA 0.039 4.543 4.420 0.140 0.000 0.270 7 P C 0.916 178.286 177.300 0.117 0.000 1.227 7 P CA -0.410 62.763 63.100 0.120 0.000 0.788 7 P CB 0.474 32.247 31.700 0.122 0.000 0.926 8 W N 1.034 122.395 121.300 0.102 0.000 2.342 8 W HA -0.394 4.320 4.660 0.090 0.000 0.297 8 W C 1.137 177.726 176.519 0.117 0.000 1.213 8 W CA 3.436 60.841 57.345 0.099 0.000 1.251 8 W CB -1.278 28.233 29.460 0.086 0.000 1.136 8 W HN 0.639 9.038 8.180 0.364 0.000 0.526 9 G N 0.238 108.520 108.800 -0.864 0.000 2.422 9 G HA2 -0.330 3.014 3.960 -1.026 0.000 0.218 9 G HA3 -0.330 2.851 3.960 -1.297 0.000 0.218 9 G C 0.768 175.572 174.900 -0.159 0.000 1.140 9 G CA 1.464 46.008 45.100 -0.925 0.000 0.775 9 G HN 0.157 7.851 8.290 -0.962 0.019 0.545 10 I N 2.227 122.816 120.570 0.031 0.000 2.202 10 I HA -0.409 3.904 4.170 0.239 0.000 0.242 10 I C 1.788 178.001 176.117 0.160 0.000 1.091 10 I CA 1.437 62.821 61.300 0.139 0.000 1.368 10 I CB -0.995 37.038 38.000 0.055 0.000 1.058 10 I HN -0.736 7.464 8.210 -0.016 0.000 0.410 11 K N -0.213 120.254 120.400 0.111 0.000 2.063 11 K HA -0.324 4.064 4.320 0.113 0.000 0.208 11 K C 2.577 179.301 176.600 0.206 0.000 1.048 11 K CA 3.697 60.071 56.287 0.146 0.000 0.928 11 K CB -0.303 32.290 32.500 0.155 0.000 0.713 11 K HN -0.461 7.843 8.250 0.090 0.000 0.442 12 A N -0.566 122.384 122.820 0.217 0.000 1.877 12 A HA -0.220 4.291 4.320 0.319 0.000 0.216 12 A C 1.851 179.553 177.584 0.197 0.000 1.186 12 A CA 2.770 54.968 52.037 0.268 0.000 0.620 12 A CB -0.329 18.811 19.000 0.233 0.000 0.822 12 A HN -0.287 7.970 8.150 0.180 0.000 0.443 13 I N -1.836 118.848 120.570 0.191 0.000 2.546 13 I HA -0.482 3.605 4.170 -0.139 0.000 0.255 13 I C 0.985 177.074 176.117 -0.046 0.000 1.163 13 I CA 2.722 64.054 61.300 0.054 0.000 1.457 13 I CB 0.410 38.511 38.000 0.170 0.000 1.092 13 I HN -0.427 7.893 8.210 0.184 0.000 0.434 14 Y N -1.406 118.882 120.300 -0.021 0.000 2.439 14 Y HA -0.354 4.171 4.550 -0.042 0.000 0.292 14 Y C -0.110 175.765 175.900 -0.042 0.000 1.130 14 Y CA 2.700 60.782 58.100 -0.031 0.000 1.254 14 Y CB 0.058 38.511 38.460 -0.012 0.000 1.000 14 Y HN -0.330 8.162 8.280 0.354 0.000 0.554 15 N N -1.912 116.841 118.700 0.088 0.000 2.756 15 N HA -0.305 4.484 4.740 0.082 0.000 0.248 15 N C -1.761 173.801 175.510 0.087 0.000 1.062 15 N CA 1.275 54.358 53.050 0.054 0.000 0.696 15 N CB -1.184 37.281 38.487 -0.035 0.000 0.946 15 N HN -0.464 7.830 8.380 0.111 0.153 0.548 16 N N -1.038 117.737 118.700 0.126 0.000 2.599 16 N HA 0.194 4.980 4.740 0.076 0.000 0.283 16 N C -1.383 174.178 175.510 0.085 0.000 1.160 16 N CA -0.273 52.835 53.050 0.096 0.000 0.869 16 N CB 1.790 40.337 38.487 0.099 0.000 1.448 16 N HN -0.544 7.928 8.380 0.153 0.000 0.535 17 D N 4.801 125.246 120.400 0.076 0.000 2.347 17 D HA -0.075 4.626 4.640 0.101 0.000 0.215 17 D C -0.155 176.173 176.300 0.046 0.000 0.976 17 D CA 1.272 55.318 54.000 0.077 0.000 0.884 17 D CB 0.355 41.200 40.800 0.075 0.000 0.915 17 D HN 0.416 8.827 8.370 0.069 0.000 0.526 18 T N -5.163 109.406 114.554 0.025 0.000 3.174 18 T HA 0.128 4.480 4.350 0.003 0.000 0.269 18 T C 0.263 174.947 174.700 -0.026 0.000 1.017 18 T CA -1.408 60.693 62.100 0.002 0.000 0.899 18 T CB 0.344 69.213 68.868 0.001 0.000 1.077 18 T HN -0.562 7.895 8.240 0.029 -0.200 0.552 19 L N 5.043 126.243 121.223 -0.039 0.000 2.540 19 L HA -0.069 4.208 4.340 -0.105 0.000 0.276 19 L C 0.587 177.370 176.870 -0.144 0.000 1.212 19 L CA 1.719 56.494 54.840 -0.109 0.000 0.893 19 L CB 0.991 42.951 42.059 -0.166 0.000 1.138 19 L HN -0.669 7.484 8.230 -0.014 0.069 0.491 20 T N -0.015 114.429 114.554 -0.183 0.000 3.000 20 T HA 0.022 4.278 4.350 -0.156 0.000 0.248 20 T C -0.838 173.632 174.700 -0.383 0.000 1.034 20 T CA 0.532 62.513 62.100 -0.199 0.000 1.060 20 T CB 0.708 69.497 68.868 -0.130 0.000 0.983 20 T HN 0.246 8.377 8.240 -0.181 0.000 0.482 21 S N 0.542 115.933 115.700 -0.515 0.000 2.565 21 S HA 0.197 nan 4.470 nan 0.000 0.269 21 S C -2.134 172.060 174.600 -0.677 0.000 1.153 21 S CA -0.829 56.809 58.200 -0.936 0.000 0.835 21 S CB 2.129 64.879 63.200 -0.751 0.000 1.122 21 S HN -0.504 7.565 8.310 -0.402 0.000 0.462 22 T N -3.885 110.280 114.554 -0.647 0.000 2.923 22 T HA 0.391 4.409 4.350 -0.554 0.000 0.281 22 T C -1.127 173.532 174.700 -0.069 0.000 0.995 22 T CA -1.709 60.169 62.100 -0.370 0.000 0.985 22 T CB 1.851 70.573 68.868 -0.243 0.000 1.114 22 T HN -0.118 7.605 8.240 -0.862 0.000 0.548 23 T N -0.032 114.579 114.554 0.096 0.000 2.840 23 T HA 0.109 4.515 4.350 0.094 0.000 0.317 23 T C -2.127 172.656 174.700 0.138 0.000 1.401 23 T CA -0.273 61.891 62.100 0.107 0.000 1.028 23 T CB 1.188 70.100 68.868 0.072 0.000 1.317 23 T HN -0.214 8.151 8.240 0.207 0.000 0.495 24 G N 2.845 111.700 108.800 0.091 0.000 2.555 24 G HA2 -0.212 3.792 3.960 0.074 0.000 0.686 24 G HA3 -0.212 3.780 3.960 0.054 0.000 0.686 24 G C -1.840 173.094 174.900 0.056 0.000 1.275 24 G CA -0.102 45.039 45.100 0.069 0.000 0.871 24 G HN 0.327 8.955 8.290 0.079 -0.291 0.603 25 G N -4.277 104.545 108.800 0.037 0.000 2.184 25 G HA2 -0.404 3.569 3.960 0.021 0.000 0.206 25 G HA3 -0.404 3.768 3.960 0.027 -0.195 0.206 25 G C -0.225 174.672 174.900 -0.004 0.000 0.995 25 G CA -0.263 44.850 45.100 0.021 0.000 0.651 25 G HN 0.329 8.641 8.290 0.036 0.000 0.511 26 S N 1.311 117.011 115.700 -0.001 0.000 2.563 26 S HA -0.178 4.464 4.470 -0.012 -0.179 0.294 26 S C 1.121 175.694 174.600 -0.045 0.000 1.279 26 S CA 1.433 59.624 58.200 -0.015 0.000 1.069 26 S CB -0.107 63.090 63.200 -0.005 0.000 0.828 26 S HN -0.176 8.140 8.310 0.010 0.000 0.497 27 G N 3.691 112.456 108.800 -0.058 0.000 2.234 27 G HA2 -0.321 3.581 3.960 -0.097 0.000 0.260 27 G HA3 -0.321 3.596 3.960 -0.071 0.000 0.260 27 G C -0.315 174.489 174.900 -0.161 0.000 0.987 27 G CA 0.432 45.477 45.100 -0.092 0.000 0.625 27 G HN 0.420 8.684 8.290 -0.043 0.000 0.532 28 I N 1.542 122.016 120.570 -0.161 0.000 2.365 28 I HA 0.106 4.221 4.170 -0.318 -0.136 0.291 28 I C -1.143 174.812 176.117 -0.270 0.000 1.004 28 I CA -2.583 58.580 61.300 -0.228 0.000 1.311 28 I CB -0.484 37.447 38.000 -0.116 0.000 1.401 28 I HN -0.509 7.550 8.210 -0.114 0.083 0.491 29 N N 6.397 124.825 118.700 -0.453 0.000 2.438 29 N HA 0.448 5.014 4.740 -0.581 -0.174 0.282 29 N C -1.113 174.050 175.510 -0.577 0.000 1.037 29 N CA -0.677 51.936 53.050 -0.727 0.000 0.942 29 N CB 1.760 39.279 38.487 -1.615 0.000 1.136 29 N HN 0.110 8.200 8.380 -0.483 0.000 0.481 30 I N 1.849 122.159 120.570 -0.434 0.000 2.354 30 I HA 0.402 4.597 4.170 -0.247 -0.173 0.286 30 I C -1.373 174.585 176.117 -0.265 0.000 1.007 30 I CA -1.268 59.872 61.300 -0.267 0.000 1.167 30 I CB 1.051 38.970 38.000 -0.135 0.000 1.320 30 I HN 0.782 8.754 8.210 -0.397 0.000 0.458 31 A N 9.286 131.950 122.820 -0.260 0.000 2.316 31 A HA 0.547 4.973 4.320 -0.179 -0.213 0.311 31 A C -1.264 176.257 177.584 -0.106 0.000 1.339 31 A CA -1.663 50.248 52.037 -0.210 0.000 0.960 31 A CB 0.667 19.515 19.000 -0.252 0.000 1.152 31 A HN 1.030 9.023 8.150 -0.263 0.000 0.547 32 V N 6.521 126.408 119.914 -0.045 0.000 2.353 32 V HA 0.157 4.429 4.120 0.010 -0.146 0.264 32 V C -1.272 174.867 176.094 0.075 0.000 1.049 32 V CA -0.737 61.573 62.300 0.017 0.000 0.896 32 V CB -0.324 31.514 31.823 0.025 0.000 1.025 32 V HN 0.206 8.374 8.190 -0.037 0.000 0.475 33 L N 9.349 130.620 121.223 0.081 0.000 2.270 33 L HA 0.621 5.290 4.340 0.178 -0.222 0.286 33 L C -1.068 175.871 176.870 0.115 0.000 1.059 33 L CA -0.251 54.661 54.840 0.120 0.000 0.839 33 L CB -0.926 41.184 42.059 0.086 0.000 1.221 33 L HN -0.013 8.252 8.230 0.058 0.000 0.431 34 D N 3.712 124.190 120.400 0.130 0.000 3.650 34 D HA 0.232 4.944 4.640 0.120 0.000 0.341 34 D C -0.909 175.447 176.300 0.093 0.000 1.479 34 D CA -0.056 54.020 54.000 0.126 0.000 0.963 34 D CB 3.245 44.138 40.800 0.156 0.000 1.449 34 D HN 0.193 8.655 8.370 0.153 0.000 0.601 35 T N -0.365 114.233 114.554 0.074 0.000 3.252 35 T HA 0.110 4.630 4.350 -0.006 -0.174 0.250 35 T C 0.130 174.829 174.700 -0.002 0.000 1.123 35 T CA 0.835 62.938 62.100 0.004 0.000 1.006 35 T CB -0.031 68.805 68.868 -0.053 0.000 0.992 35 T HN 0.293 8.604 8.240 0.119 0.000 0.547 36 G N -0.761 108.067 108.800 0.046 0.000 2.566 36 G HA2 -0.311 3.741 3.960 0.021 0.000 0.599 36 G HA3 -0.311 3.700 3.960 0.086 0.000 0.599 36 G C -3.287 171.632 174.900 0.031 0.000 1.292 36 G CA -0.553 44.575 45.100 0.047 0.000 0.922 36 G HN -0.834 7.405 8.290 0.077 0.097 0.514 37 V N -1.669 118.266 119.914 0.035 0.000 2.971 37 V HA 0.413 4.538 4.120 0.008 0.000 0.309 37 V C -1.639 174.474 176.094 0.031 0.000 1.130 37 V CA -2.212 60.105 62.300 0.028 0.000 0.964 37 V CB 4.401 36.252 31.823 0.046 0.000 1.029 37 V HN -0.027 8.189 8.190 0.042 0.000 0.427 38 N N 6.360 125.082 118.700 0.036 0.000 2.399 38 N HA 0.082 4.853 4.740 0.052 0.000 0.259 38 N C 1.074 176.623 175.510 0.065 0.000 1.160 38 N CA -0.142 52.943 53.050 0.058 0.000 0.946 38 N CB -0.124 38.413 38.487 0.083 0.000 1.156 38 N HN -0.001 8.394 8.380 0.026 0.000 0.489 39 T N 3.018 117.602 114.554 0.049 0.000 2.833 39 T HA -0.275 4.107 4.350 0.053 0.000 0.269 39 T C 0.926 175.655 174.700 0.048 0.000 1.054 39 T CA 3.208 65.337 62.100 0.048 0.000 1.135 39 T CB -0.146 68.745 68.868 0.038 0.000 0.869 39 T HN -0.099 8.106 8.240 0.048 0.063 0.466 40 S N -0.783 114.940 115.700 0.039 0.000 2.556 40 S HA 0.072 4.555 4.470 0.021 0.000 0.216 40 S C 0.112 174.719 174.600 0.012 0.000 0.970 40 S CA -0.361 57.850 58.200 0.019 0.000 0.912 40 S CB -0.425 62.771 63.200 -0.006 0.000 0.790 40 S HN -0.702 7.740 8.310 0.038 -0.109 0.504 41 H N 6.547 125.594 119.070 -0.038 0.000 3.034 41 H HA 0.080 4.589 4.556 -0.078 0.000 0.324 41 H C -0.821 174.478 175.328 -0.049 0.000 1.015 41 H CA 0.761 56.770 56.048 -0.064 0.000 1.429 41 H CB 0.538 30.249 29.762 -0.084 0.000 1.429 41 H HN -0.663 7.586 8.280 0.131 0.109 0.585 42 P HA -0.229 4.198 4.420 0.012 0.000 0.217 42 P C 0.165 177.544 177.300 0.133 0.000 1.148 42 P CA 2.448 65.570 63.100 0.037 0.000 0.828 42 P CB 0.272 31.958 31.700 -0.024 0.000 0.783 43 D N -4.438 116.131 120.400 0.281 0.000 2.350 43 D HA 0.110 4.850 4.640 0.038 -0.078 0.213 43 D C 0.481 176.789 176.300 0.013 0.000 1.031 43 D CA 1.128 55.189 54.000 0.103 0.000 0.861 43 D CB 0.498 41.345 40.800 0.077 0.000 0.926 43 D HN -0.465 8.244 8.370 0.633 0.042 0.520 44 L N -1.576 119.679 121.223 0.053 0.000 2.685 44 L HA 0.256 4.590 4.340 -0.010 0.000 0.235 44 L C 1.391 178.283 176.870 0.038 0.000 1.070 44 L CA 1.199 56.049 54.840 0.016 0.000 0.888 44 L CB 1.019 43.079 42.059 0.001 0.000 1.203 44 L HN -0.383 7.757 8.230 0.133 0.170 0.499 45 V N 1.749 121.694 119.914 0.052 0.000 2.469 45 V HA -0.365 3.915 4.120 0.045 -0.133 0.251 45 V C 1.187 177.302 176.094 0.035 0.000 1.064 45 V CA 3.307 65.632 62.300 0.042 0.000 1.066 45 V CB -0.347 31.496 31.823 0.034 0.000 0.667 45 V HN -0.276 7.954 8.190 0.067 0.000 0.461 46 N N -0.783 117.934 118.700 0.029 0.000 2.459 46 N HA -0.073 4.684 4.740 0.028 0.000 0.181 46 N C 0.344 175.873 175.510 0.033 0.000 1.046 46 N CA 1.842 54.908 53.050 0.027 0.000 0.904 46 N CB -0.204 38.295 38.487 0.020 0.000 0.964 46 N HN 0.277 8.648 8.380 0.026 0.025 0.444 47 N N -2.334 116.387 118.700 0.035 0.000 2.197 47 N HA 0.146 4.912 4.740 0.044 0.000 0.201 47 N C -1.422 174.130 175.510 0.069 0.000 1.148 47 N CA -0.290 52.785 53.050 0.043 0.000 0.883 47 N CB 1.698 40.200 38.487 0.025 0.000 1.012 47 N HN -0.269 7.965 8.380 0.032 0.165 0.507 48 V N 0.898 120.854 119.914 0.071 0.000 2.479 48 V HA -0.255 3.935 4.120 0.117 0.000 0.281 48 V C -0.447 175.715 176.094 0.115 0.000 1.031 48 V CA 1.646 64.004 62.300 0.097 0.000 1.038 48 V CB -1.305 30.564 31.823 0.078 0.000 0.981 48 V HN -0.682 7.543 8.190 0.058 0.000 0.478 49 E N 8.305 128.612 120.200 0.178 0.000 2.399 49 E HA 0.152 4.576 4.350 0.124 0.000 0.206 49 E C -0.193 176.467 176.600 0.100 0.000 0.812 49 E CA -0.061 56.446 56.400 0.178 0.000 1.138 49 E CB 3.094 32.978 29.700 0.306 0.000 1.140 49 E HN 0.648 9.143 8.360 0.224 0.000 0.536 50 Q N -1.818 118.050 119.800 0.113 0.000 2.413 50 Q HA 0.240 4.564 4.340 -0.027 0.000 0.276 50 Q C -2.570 173.522 176.000 0.154 0.000 1.099 50 Q CA -0.962 54.843 55.803 0.004 0.000 0.814 50 Q CB 4.498 33.081 28.738 -0.259 0.000 1.379 50 Q HN -0.615 7.809 8.270 0.257 0.000 0.436 51 C N 4.405 123.778 119.300 0.121 0.000 3.027 51 C HA 0.660 5.406 4.460 0.189 -0.173 0.350 51 C C -2.320 172.698 174.990 0.046 0.000 1.042 51 C CA -0.875 58.216 59.018 0.122 0.000 1.350 51 C CB -0.093 27.687 27.740 0.066 0.000 1.809 51 C HN 0.861 9.130 8.230 0.064 0.000 0.513 52 K N 6.066 126.508 120.400 0.069 0.000 2.469 52 K HA 0.776 5.151 4.320 -0.218 -0.186 0.254 52 K C -2.460 174.045 176.600 -0.159 0.000 0.939 52 K CA -1.574 54.604 56.287 -0.181 0.000 0.812 52 K CB 4.922 37.155 32.500 -0.445 0.000 1.301 52 K HN 0.386 8.766 8.250 0.217 0.000 0.433 53 D N 0.329 120.514 120.400 -0.359 0.000 2.375 53 D HA 0.434 5.050 4.640 -0.040 0.000 0.247 53 D C -0.627 175.362 176.300 -0.518 0.000 1.061 53 D CA -1.316 52.542 54.000 -0.237 0.000 0.834 53 D CB 2.420 43.132 40.800 -0.147 0.000 1.247 53 D HN 0.207 8.309 8.370 -0.446 0.000 0.489 54 F N 3.582 123.478 119.950 -0.090 0.000 2.678 54 F HA 0.335 4.793 4.527 -0.113 0.000 0.305 54 F C -0.069 175.717 175.800 -0.022 0.000 1.090 54 F CA -0.385 57.568 58.000 -0.078 0.000 1.272 54 F CB 1.360 40.324 39.000 -0.060 0.000 1.060 54 F HN 0.550 8.963 8.300 0.189 0.000 0.576 55 T N -4.041 110.568 114.554 0.091 0.000 3.069 55 T HA 0.175 4.798 4.350 0.148 -0.185 0.252 55 T C 0.922 175.649 174.700 0.046 0.000 1.053 55 T CA -0.598 61.561 62.100 0.099 0.000 0.964 55 T CB 1.064 69.985 68.868 0.088 0.000 1.005 55 T HN -0.499 8.015 8.240 0.047 -0.246 0.532 56 G N 0.968 109.759 108.800 -0.015 0.000 2.671 56 G HA2 0.138 4.063 3.960 -0.059 0.000 0.275 56 G HA3 0.138 4.088 3.960 -0.017 0.000 0.275 56 G C -0.576 174.296 174.900 -0.046 0.000 1.368 56 G CA -1.333 43.746 45.100 -0.036 0.000 1.044 56 G HN -0.652 7.550 8.290 -0.043 0.062 0.543 57 A N -2.132 120.656 122.820 -0.053 0.000 2.123 57 A HA -0.079 4.213 4.320 -0.046 0.000 0.214 57 A C -0.457 177.090 177.584 -0.061 0.000 1.152 57 A CA 1.347 53.353 52.037 -0.051 0.000 0.728 57 A CB -0.136 18.837 19.000 -0.045 0.000 0.814 57 A HN 0.083 8.200 8.150 -0.055 0.000 0.464 58 T N -6.159 108.347 114.554 -0.080 0.000 2.907 58 T HA 0.265 4.568 4.350 -0.078 0.000 0.290 58 T C -1.721 172.896 174.700 -0.138 0.000 1.066 58 T CA -1.536 60.508 62.100 -0.094 0.000 1.012 58 T CB 2.055 70.868 68.868 -0.092 0.000 1.184 58 T HN -0.695 7.465 8.240 -0.087 0.028 0.522 59 T N 0.192 114.653 114.554 -0.156 0.000 2.982 59 T HA 0.295 4.434 4.350 -0.351 0.000 0.321 59 T C -2.142 172.399 174.700 -0.266 0.000 1.229 59 T CA -2.775 59.177 62.100 -0.246 0.000 1.044 59 T CB 1.398 70.187 68.868 -0.132 0.000 1.184 59 T HN -0.061 8.103 8.240 -0.127 0.000 0.477 60 P HA 0.111 3.977 4.420 -1.094 -0.102 0.272 60 P C -1.333 175.648 177.300 -0.532 0.000 1.240 60 P CA -0.413 62.183 63.100 -0.841 0.000 0.791 60 P CB 0.839 31.857 31.700 -1.138 0.000 0.978 61 I N 2.253 122.502 120.570 -0.535 0.000 2.307 61 I HA 0.056 4.064 4.170 -0.270 0.000 0.289 61 I C -1.149 174.778 176.117 -0.317 0.000 1.021 61 I CA -0.656 60.447 61.300 -0.330 0.000 1.224 61 I CB 0.976 38.830 38.000 -0.242 0.000 1.376 61 I HN 0.197 8.002 8.210 -0.675 0.000 0.470 62 N N 8.401 126.957 118.700 -0.239 0.000 2.503 62 N HA -0.101 4.508 4.740 -0.219 0.000 0.267 62 N C -0.001 175.434 175.510 -0.124 0.000 1.214 62 N CA 0.600 53.538 53.050 -0.186 0.000 0.959 62 N CB 0.732 39.133 38.487 -0.144 0.000 1.142 62 N HN 0.363 8.615 8.380 -0.214 0.000 0.455 63 N N -2.422 116.224 118.700 -0.089 0.000 2.740 63 N HA -0.406 4.352 4.740 -0.035 -0.040 0.248 63 N C -1.815 173.665 175.510 -0.050 0.000 1.062 63 N CA 1.468 54.486 53.050 -0.053 0.000 0.704 63 N CB -1.720 36.740 38.487 -0.046 0.000 0.968 63 N HN 0.070 8.396 8.380 -0.090 0.000 0.547 64 S N -1.152 114.513 115.700 -0.058 0.000 2.649 64 S HA 0.185 4.635 4.470 -0.033 0.000 0.274 64 S C -2.014 172.567 174.600 -0.030 0.000 1.176 64 S CA 0.335 58.506 58.200 -0.049 0.000 0.988 64 S CB 1.749 64.903 63.200 -0.076 0.000 1.071 64 S HN -0.412 7.839 8.310 -0.069 0.017 0.478 65 C N 6.078 125.378 119.300 0.000 0.000 3.337 65 C HA 0.118 4.597 4.460 0.031 0.000 0.328 65 C C -1.239 173.765 174.990 0.023 0.000 2.383 65 C CA -0.222 58.816 59.018 0.033 0.000 1.308 65 C CB 1.014 28.803 27.740 0.083 0.000 2.334 65 C HN 0.571 8.800 8.230 -0.002 0.000 0.558 66 T N 5.636 120.190 114.554 0.001 0.000 2.817 66 T HA -0.182 nan 4.350 nan 0.000 0.295 66 T C -1.664 173.015 174.700 -0.035 0.000 0.958 66 T CA 2.104 64.199 62.100 -0.008 0.000 1.157 66 T CB 0.032 68.891 68.868 -0.015 0.000 0.898 66 T HN 0.094 8.330 8.240 -0.007 0.000 0.536 67 D N 5.670 126.043 120.400 -0.044 0.000 2.295 67 D HA 0.228 4.971 4.640 -0.143 -0.188 0.248 67 D C 0.123 176.272 176.300 -0.251 0.000 1.154 67 D CA -0.644 53.277 54.000 -0.131 0.000 0.857 67 D CB 0.901 41.635 40.800 -0.111 0.000 1.117 67 D HN 0.048 8.410 8.370 -0.014 0.000 0.468 68 R N 4.205 124.469 120.500 -0.394 0.000 2.472 68 R HA 0.156 4.105 4.340 -0.652 0.000 0.279 68 R C -0.183 175.512 176.300 -1.008 0.000 0.953 68 R CA -0.107 55.632 56.100 -0.602 0.000 1.088 68 R CB 0.550 30.690 30.300 -0.268 0.000 1.197 68 R HN 0.349 8.432 8.270 -0.312 0.000 0.536 69 N N -1.652 116.492 118.700 -0.926 0.000 2.646 69 N HA -0.026 4.383 4.740 -0.551 0.000 0.214 69 N C -0.060 174.957 175.510 -0.821 0.000 1.042 69 N CA 0.535 53.186 53.050 -0.665 0.000 0.925 69 N CB 2.624 40.916 38.487 -0.325 0.000 1.383 69 N HN -0.417 7.719 8.380 -0.773 -0.220 0.439 70 G N -2.042 106.249 108.800 -0.848 0.000 2.391 70 G HA2 -0.340 2.120 3.960 -2.501 0.000 0.204 70 G HA3 -0.340 3.014 3.960 -1.090 -0.048 0.204 70 G C 0.307 174.826 174.900 -0.634 0.000 1.012 70 G CA 0.125 44.441 45.100 -1.306 0.000 0.651 70 G HN -0.320 8.020 8.290 -0.669 -0.451 0.494 71 H N 5.463 124.328 119.070 -0.341 0.000 2.289 71 H HA -0.383 4.214 4.556 0.069 0.000 0.296 71 H C 1.213 176.542 175.328 0.001 0.000 1.091 71 H CA 5.093 61.112 56.048 -0.048 0.000 1.274 71 H CB 0.292 30.033 29.762 -0.035 0.000 1.364 71 H HN -0.156 8.249 8.280 -0.162 -0.222 0.490 72 G N -2.991 105.854 108.800 0.074 0.000 2.408 72 G HA2 -0.317 3.854 3.960 0.055 0.000 0.217 72 G HA3 -0.317 3.751 3.960 0.075 -0.063 0.217 72 G C 1.355 176.256 174.900 0.001 0.000 1.150 72 G CA 1.984 47.114 45.100 0.050 0.000 0.776 72 G HN -0.004 8.322 8.290 0.059 0.000 0.542 73 T N 4.282 118.817 114.554 -0.033 0.000 2.746 73 T HA -0.377 3.954 4.350 -0.031 0.000 0.267 73 T C 1.450 176.149 174.700 -0.001 0.000 1.039 73 T CA 5.414 67.496 62.100 -0.030 0.000 1.142 73 T CB -0.458 68.381 68.868 -0.048 0.000 0.866 73 T HN -0.561 7.888 8.240 -0.075 -0.253 0.444 74 H N 3.548 122.610 119.070 -0.013 0.000 2.321 74 H HA -0.193 4.572 4.556 0.074 -0.165 0.300 74 H C 2.335 177.633 175.328 -0.050 0.000 1.087 74 H CA 4.084 60.165 56.048 0.055 0.000 1.319 74 H CB 0.351 30.253 29.762 0.233 0.000 1.379 74 H HN -0.275 8.099 8.280 0.157 0.000 0.501 75 V N -1.052 118.887 119.914 0.042 0.000 2.287 75 V HA -0.482 3.628 4.120 -0.017 0.000 0.248 75 V C 1.790 177.841 176.094 -0.072 0.000 1.053 75 V CA 3.900 66.179 62.300 -0.035 0.000 1.027 75 V CB -1.029 30.750 31.823 -0.073 0.000 0.646 75 V HN -0.271 7.945 8.190 0.042 0.000 0.447 76 A N -0.744 122.042 122.820 -0.058 0.000 1.908 76 A HA -0.384 3.905 4.320 -0.053 0.000 0.218 76 A C 1.843 179.364 177.584 -0.106 0.000 1.181 76 A CA 3.148 55.147 52.037 -0.063 0.000 0.627 76 A CB -0.716 18.261 19.000 -0.038 0.000 0.818 76 A HN -0.117 8.009 8.150 -0.039 0.000 0.445 77 G N -2.915 105.793 108.800 -0.154 0.000 2.432 77 G HA2 -0.330 3.489 3.960 -0.236 0.000 0.219 77 G HA3 -0.330 3.530 3.960 -0.167 0.000 0.219 77 G C 1.940 176.723 174.900 -0.195 0.000 1.135 77 G CA 2.014 47.000 45.100 -0.191 0.000 0.767 77 G HN -0.259 7.940 8.290 -0.152 0.000 0.550 78 T N 4.521 118.931 114.554 -0.239 0.000 2.821 78 T HA -0.361 3.806 4.350 -0.306 0.000 0.267 78 T C 1.196 175.747 174.700 -0.249 0.000 1.046 78 T CA 4.767 66.684 62.100 -0.305 0.000 1.139 78 T CB -0.409 68.224 68.868 -0.392 0.000 0.871 78 T HN -0.604 7.493 8.240 -0.239 0.000 0.454 79 A N -0.180 122.540 122.820 -0.166 0.000 1.898 79 A HA -0.017 4.378 4.320 -0.110 -0.141 0.216 79 A C -0.074 177.473 177.584 -0.060 0.000 1.181 79 A CA 2.853 54.828 52.037 -0.104 0.000 0.620 79 A CB 0.279 19.235 19.000 -0.074 0.000 0.819 79 A HN -0.393 7.664 8.150 -0.154 0.000 0.442 80 L N -10.455 110.731 121.223 -0.061 0.000 3.695 80 L HA 0.319 4.757 4.340 -0.007 -0.102 0.349 80 L C -1.259 175.590 176.870 -0.035 0.000 1.304 80 L CA -1.832 52.991 54.840 -0.029 0.000 1.078 80 L CB -0.832 41.212 42.059 -0.026 0.000 1.440 80 L HN -0.535 7.646 8.230 -0.082 0.000 0.620 81 A N 1.591 124.371 122.820 -0.066 0.000 2.520 81 A HA -0.091 4.335 4.320 -0.084 -0.157 0.235 81 A C 0.056 177.591 177.584 -0.082 0.000 1.065 81 A CA 0.841 52.826 52.037 -0.087 0.000 0.764 81 A CB 1.024 19.952 19.000 -0.121 0.000 1.002 81 A HN -0.472 7.528 8.150 -0.082 0.101 0.502 82 D N 1.673 121.998 120.400 -0.126 0.000 2.479 82 D HA 0.070 4.686 4.640 -0.040 0.000 0.218 82 D C 0.467 176.537 176.300 -0.383 0.000 1.177 82 D CA -1.868 52.057 54.000 -0.126 0.000 0.830 82 D CB 1.651 42.434 40.800 -0.028 0.000 1.014 82 D HN -0.094 8.204 8.370 -0.120 0.000 0.503 83 G N -1.488 106.920 108.800 -0.653 0.000 2.205 83 G HA2 -0.386 2.873 3.960 -1.168 0.000 0.261 83 G HA3 -0.386 3.043 3.960 -0.851 0.021 0.261 83 G C -0.414 174.324 174.900 -0.270 0.000 0.980 83 G CA 0.242 44.860 45.100 -0.803 0.000 0.632 83 G HN 0.076 8.060 8.290 -0.509 0.000 0.533 84 G N -1.114 107.604 108.800 -0.137 0.000 2.781 84 G HA2 -0.409 3.541 3.960 -0.016 0.000 0.683 84 G HA3 -0.409 3.736 3.960 -0.014 -0.193 0.683 84 G C 0.491 175.379 174.900 -0.021 0.000 1.390 84 G CA -0.353 44.724 45.100 -0.038 0.000 0.850 84 G HN -0.375 8.044 8.290 -0.149 -0.219 0.557 85 S N -0.449 115.252 115.700 0.001 0.000 2.555 85 S HA -0.131 4.346 4.470 0.012 0.000 0.230 85 S C 0.297 174.906 174.600 0.015 0.000 0.978 85 S CA 1.932 60.138 58.200 0.010 0.000 0.934 85 S CB -0.372 62.835 63.200 0.012 0.000 0.766 85 S HN 0.626 8.939 8.310 0.005 0.000 0.533 86 D N -2.473 117.936 120.400 0.014 0.000 2.433 86 D HA 0.097 4.751 4.640 0.023 0.000 0.211 86 D C -0.581 175.736 176.300 0.028 0.000 1.114 86 D CA -0.810 53.203 54.000 0.021 0.000 0.837 86 D CB -0.839 39.974 40.800 0.021 0.000 0.984 86 D HN -0.333 7.974 8.370 0.009 0.068 0.505 87 Q N -5.097 114.715 119.800 0.021 0.000 2.468 87 Q HA -0.423 4.007 4.340 0.006 -0.086 0.256 87 Q C -0.372 175.655 176.000 0.046 0.000 0.984 87 Q CA 1.273 57.102 55.803 0.044 0.000 1.110 87 Q CB -3.087 25.715 28.738 0.107 0.000 1.527 87 Q HN -0.329 7.774 8.270 0.007 0.172 0.535 88 A N -4.005 118.828 122.820 0.022 0.000 2.430 88 A HA 0.205 4.556 4.320 0.051 0.000 0.243 88 A C -1.353 176.252 177.584 0.035 0.000 1.254 88 A CA -0.514 51.546 52.037 0.039 0.000 0.914 88 A CB 0.933 19.961 19.000 0.046 0.000 0.998 88 A HN -0.296 8.077 8.150 0.012 -0.217 0.515 89 G N -2.073 106.717 108.800 -0.016 0.000 2.828 89 G HA2 0.492 4.853 3.960 0.062 0.000 0.244 89 G HA3 0.492 4.512 3.960 0.100 0.000 0.244 89 G C -1.451 173.378 174.900 -0.118 0.000 1.365 89 G CA -2.013 43.097 45.100 0.016 0.000 1.041 89 G HN -0.490 7.608 8.290 -0.071 0.149 0.560 90 I N -0.163 120.352 120.570 -0.092 0.000 2.677 90 I HA -0.020 4.285 4.170 -0.024 -0.150 0.305 90 I C -1.593 174.379 176.117 -0.243 0.000 0.988 90 I CA -0.725 60.517 61.300 -0.097 0.000 1.260 90 I CB 2.542 40.509 38.000 -0.056 0.000 1.410 90 I HN -0.148 8.410 8.210 0.042 -0.323 0.523 91 Y N 2.474 122.755 120.300 -0.031 0.000 2.352 91 Y HA 0.239 4.913 4.550 -0.036 -0.146 0.339 91 Y C -0.112 175.747 175.900 -0.069 0.000 0.992 91 Y CA -1.243 56.827 58.100 -0.050 0.000 1.100 91 Y CB 2.787 41.201 38.460 -0.078 0.000 1.192 91 Y HN -0.174 8.222 8.280 0.193 0.000 0.458 92 G N 1.024 109.863 108.800 0.064 0.000 2.557 92 G HA2 0.367 4.450 3.960 -0.037 0.000 0.302 92 G HA3 0.367 4.336 3.960 -0.039 -0.033 0.302 92 G C -0.748 174.195 174.900 0.072 0.000 1.311 92 G CA -1.639 43.463 45.100 0.003 0.000 1.030 92 G HN 0.201 8.410 8.290 0.054 0.113 0.509 93 V N -0.715 119.237 119.914 0.062 0.000 2.358 93 V HA -0.208 4.133 4.120 0.367 0.000 0.246 93 V C -0.071 176.145 176.094 0.203 0.000 1.047 93 V CA 3.176 65.598 62.300 0.203 0.000 1.035 93 V CB 0.300 32.196 31.823 0.120 0.000 0.658 93 V HN -0.383 7.799 8.190 -0.013 0.000 0.452 94 A N -3.498 119.383 122.820 0.100 0.000 2.938 94 A HA 0.560 5.010 4.320 0.109 -0.064 0.344 94 A C -2.333 175.288 177.584 0.062 0.000 1.142 94 A CA -2.957 49.129 52.037 0.081 0.000 0.841 94 A CB 0.202 19.226 19.000 0.040 0.000 1.083 94 A HN -0.421 7.766 8.150 0.062 0.000 0.479 95 P HA 0.074 4.704 4.420 0.054 -0.178 0.233 95 P C -0.879 176.454 177.300 0.054 0.000 1.167 95 P CA 0.942 64.088 63.100 0.078 0.000 0.770 95 P CB 0.284 32.073 31.700 0.149 0.000 0.837 96 D N -2.020 118.410 120.400 0.049 0.000 2.349 96 D HA 0.064 4.724 4.640 0.034 0.000 0.214 96 D C -0.454 175.853 176.300 0.012 0.000 1.063 96 D CA 0.335 54.355 54.000 0.033 0.000 0.847 96 D CB 0.599 41.419 40.800 0.034 0.000 0.933 96 D HN -0.207 8.143 8.370 0.057 0.055 0.513 97 A N 0.116 122.937 122.820 0.002 0.000 2.346 97 A HA -0.079 4.389 4.320 -0.040 -0.172 0.252 97 A C -0.662 176.904 177.584 -0.030 0.000 1.089 97 A CA -0.199 51.820 52.037 -0.029 0.000 0.797 97 A CB 0.835 19.811 19.000 -0.040 0.000 1.047 97 A HN -0.717 7.387 8.150 0.011 0.053 0.494 98 D N -0.803 119.560 120.400 -0.062 0.000 2.210 98 D HA 0.098 4.867 4.640 0.024 -0.114 0.249 98 D C -0.985 175.283 176.300 -0.053 0.000 1.078 98 D CA 0.723 54.709 54.000 -0.023 0.000 0.875 98 D CB 1.935 42.734 40.800 -0.001 0.000 1.175 98 D HN -0.048 8.261 8.370 -0.101 0.000 0.440 99 L N 3.049 124.309 121.223 0.062 0.000 2.275 99 L HA 0.434 4.924 4.340 0.005 -0.146 0.288 99 L C -1.759 175.301 176.870 0.317 0.000 1.046 99 L CA -0.819 54.075 54.840 0.089 0.000 0.805 99 L CB 1.984 44.089 42.059 0.077 0.000 1.193 99 L HN 0.482 8.767 8.230 0.092 0.000 0.426 100 W N 7.263 128.519 121.300 -0.075 0.000 2.282 100 W HA 0.350 5.156 4.660 0.016 -0.137 0.322 100 W C -1.492 174.970 176.519 -0.095 0.000 1.011 100 W CA -3.830 53.450 57.345 -0.110 0.000 1.392 100 W CB -0.420 28.833 29.460 -0.344 0.000 1.215 100 W HN 0.545 8.792 8.180 0.113 0.000 0.394 101 A N 3.917 126.913 122.820 0.294 0.000 2.415 101 A HA 0.328 4.769 4.320 0.201 0.000 0.309 101 A C -1.978 175.901 177.584 0.492 0.000 1.356 101 A CA -1.222 50.975 52.037 0.267 0.000 0.998 101 A CB 0.617 19.728 19.000 0.185 0.000 1.145 101 A HN 0.711 9.045 8.150 0.306 0.000 0.545 102 Y N 4.702 125.131 120.300 0.214 0.000 2.356 102 Y HA 0.299 5.257 4.550 0.367 -0.187 0.334 102 Y C -0.823 175.216 175.900 0.230 0.000 0.958 102 Y CA -2.272 56.003 58.100 0.292 0.000 1.196 102 Y CB 2.684 41.290 38.460 0.244 0.000 1.137 102 Y HN 0.103 8.616 8.280 0.388 0.000 0.485 103 K N 5.605 126.230 120.400 0.374 0.000 2.310 103 K HA 0.255 4.876 4.320 0.186 -0.189 0.290 103 K C -0.316 176.441 176.600 0.262 0.000 1.077 103 K CA -0.147 56.277 56.287 0.229 0.000 0.922 103 K CB 0.658 33.234 32.500 0.127 0.000 1.057 103 K HN 0.533 9.004 8.250 0.369 0.000 0.479 104 V N 2.781 122.802 119.914 0.178 0.000 3.604 104 V HA 0.306 4.542 4.120 0.193 0.000 0.277 104 V C -2.053 174.083 176.094 0.071 0.000 1.399 104 V CA -1.016 61.367 62.300 0.138 0.000 1.034 104 V CB 1.314 33.183 31.823 0.077 0.000 0.824 104 V HN 0.463 8.743 8.190 0.150 0.000 0.439 105 L N -0.268 120.975 121.223 0.035 0.000 2.317 105 L HA 0.211 4.514 4.340 -0.062 0.000 0.281 105 L C -0.157 176.687 176.870 -0.044 0.000 1.024 105 L CA -1.445 53.374 54.840 -0.035 0.000 0.810 105 L CB 1.008 43.031 42.059 -0.062 0.000 1.240 105 L HN -0.741 7.521 8.230 0.053 0.000 0.427 106 L N 2.513 123.684 121.223 -0.086 0.000 2.468 106 L HA -0.201 4.113 4.340 -0.043 0.000 0.253 106 L C 1.054 177.868 176.870 -0.094 0.000 1.237 106 L CA 0.335 55.129 54.840 -0.076 0.000 0.823 106 L CB 0.000 42.002 42.059 -0.096 0.000 1.124 106 L HN 0.193 8.347 8.230 -0.127 0.000 0.504 107 D N -1.096 119.249 120.400 -0.091 0.000 2.221 107 D HA -0.284 4.270 4.640 -0.143 0.000 0.204 107 D C 0.770 176.994 176.300 -0.125 0.000 0.982 107 D CA 2.813 56.739 54.000 -0.122 0.000 0.857 107 D CB -0.363 40.368 40.800 -0.115 0.000 0.934 107 D HN 0.393 8.719 8.370 -0.074 0.000 0.475 108 S N -4.656 110.981 115.700 -0.105 0.000 2.474 108 S HA -0.056 4.363 4.470 -0.085 0.000 0.235 108 S C 1.358 175.885 174.600 -0.121 0.000 0.997 108 S CA 0.450 58.590 58.200 -0.099 0.000 0.949 108 S CB -0.529 62.617 63.200 -0.091 0.000 0.766 108 S HN -0.048 8.173 8.310 -0.098 0.031 0.517 109 G N 2.398 111.109 108.800 -0.148 0.000 2.176 109 G HA2 -0.268 3.567 3.960 -0.207 0.000 0.232 109 G HA3 -0.268 3.560 3.960 -0.220 0.000 0.232 109 G C -1.001 173.786 174.900 -0.188 0.000 0.986 109 G CA 0.224 45.206 45.100 -0.195 0.000 0.643 109 G HN 0.073 8.105 8.290 -0.141 0.173 0.522 110 S N 1.276 116.874 115.700 -0.171 0.000 2.593 110 S HA 0.375 4.746 4.470 -0.165 0.000 0.297 110 S C -1.417 173.036 174.600 -0.245 0.000 1.112 110 S CA -0.986 57.100 58.200 -0.189 0.000 1.043 110 S CB 2.612 65.699 63.200 -0.188 0.000 1.054 110 S HN -0.583 7.560 8.310 -0.163 0.069 0.516 111 G N 0.003 108.650 108.800 -0.255 0.000 2.694 111 G HA2 0.426 4.420 3.960 -0.148 0.000 0.290 111 G HA3 0.426 4.148 3.960 -0.396 0.000 0.290 111 G C -2.043 172.681 174.900 -0.293 0.000 1.386 111 G CA -0.275 44.653 45.100 -0.286 0.000 0.872 111 G HN -0.031 8.135 8.290 -0.206 0.000 0.475 112 Y N -1.238 119.070 120.300 0.013 0.000 2.334 112 Y HA 0.158 4.713 4.550 0.009 0.000 0.328 112 Y C 1.201 177.111 175.900 0.017 0.000 1.130 112 Y CA -1.219 56.888 58.100 0.012 0.000 1.163 112 Y CB 1.418 39.885 38.460 0.012 0.000 1.207 112 Y HN 0.266 8.521 8.280 -0.042 0.000 0.471 113 S N 2.876 118.681 115.700 0.176 0.000 2.382 113 S HA -0.330 4.190 4.470 0.084 0.000 0.228 113 S C 1.385 176.037 174.600 0.088 0.000 1.027 113 S CA 3.434 61.694 58.200 0.101 0.000 0.991 113 S CB -0.622 62.621 63.200 0.073 0.000 0.823 113 S HN 0.737 9.166 8.310 0.199 0.000 0.469 114 D N -1.085 119.370 120.400 0.092 0.000 2.144 114 D HA -0.319 4.347 4.640 0.044 0.000 0.199 114 D C 1.935 178.282 176.300 0.078 0.000 0.984 114 D CA 3.241 57.278 54.000 0.061 0.000 0.834 114 D CB -1.463 39.355 40.800 0.032 0.000 0.955 114 D HN 0.471 8.907 8.370 0.109 0.000 0.465 115 D N 0.483 120.957 120.400 0.122 0.000 2.117 115 D HA -0.177 4.559 4.640 0.159 0.000 0.198 115 D C 2.490 178.833 176.300 0.072 0.000 0.982 115 D CA 2.854 56.941 54.000 0.144 0.000 0.828 115 D CB -0.378 40.542 40.800 0.200 0.000 0.967 115 D HN -0.857 7.606 8.370 0.155 0.000 0.464 116 I N -0.176 120.429 120.570 0.058 0.000 2.179 116 I HA -0.539 3.623 4.170 -0.014 0.000 0.242 116 I C 1.613 177.725 176.117 -0.009 0.000 1.088 116 I CA 4.060 65.369 61.300 0.014 0.000 1.357 116 I CB -0.259 37.765 38.000 0.040 0.000 1.051 116 I HN -0.523 7.738 8.210 0.086 0.000 0.409 117 A N -0.850 121.982 122.820 0.020 0.000 1.908 117 A HA -0.412 3.925 4.320 0.028 0.000 0.218 117 A C 1.561 179.144 177.584 -0.001 0.000 1.181 117 A CA 3.235 55.282 52.037 0.018 0.000 0.627 117 A CB -0.942 18.071 19.000 0.022 0.000 0.818 117 A HN -0.100 8.072 8.150 0.036 0.000 0.445 118 A N -2.450 120.371 122.820 0.003 0.000 1.902 118 A HA -0.314 4.031 4.320 0.043 0.000 0.217 118 A C 1.878 179.412 177.584 -0.084 0.000 1.181 118 A CA 2.891 54.948 52.037 0.033 0.000 0.623 118 A CB -0.699 18.389 19.000 0.146 0.000 0.818 118 A HN -0.152 8.011 8.150 0.020 0.000 0.443 119 A N -1.553 121.010 122.820 -0.429 0.000 1.930 119 A HA -0.312 3.100 4.320 -1.513 0.000 0.217 119 A C 1.961 179.466 177.584 -0.133 0.000 1.175 119 A CA 2.804 54.306 52.037 -0.890 0.000 0.627 119 A CB -0.465 17.895 19.000 -1.066 0.000 0.815 119 A HN -0.506 7.446 8.150 -0.331 0.000 0.443 120 I N -1.338 119.219 120.570 -0.022 0.000 2.127 120 I HA -0.644 3.600 4.170 0.123 0.000 0.241 120 I C 2.124 178.355 176.117 0.190 0.000 1.075 120 I CA 4.404 65.767 61.300 0.104 0.000 1.334 120 I CB -0.289 37.769 38.000 0.096 0.000 1.040 120 I HN -0.280 7.892 8.210 -0.062 0.000 0.405 121 R N -2.332 118.265 120.500 0.163 0.000 2.096 121 R HA -0.413 4.167 4.340 0.400 0.000 0.235 121 R C 2.203 178.683 176.300 0.301 0.000 1.127 121 R CA 3.656 59.896 56.100 0.233 0.000 0.968 121 R CB -0.325 29.957 30.300 -0.030 0.000 0.861 121 R HN -0.440 7.887 8.270 0.094 0.000 0.440 122 H N 0.602 119.780 119.070 0.180 0.000 2.353 122 H HA -0.204 4.485 4.556 0.221 0.000 0.300 122 H C 1.595 177.137 175.328 0.355 0.000 1.090 122 H CA 3.574 59.767 56.048 0.241 0.000 1.327 122 H CB 0.741 30.658 29.762 0.258 0.000 1.383 122 H HN -0.137 8.313 8.280 0.282 0.000 0.508 123 A N -1.552 121.558 122.820 0.482 0.000 1.908 123 A HA -0.318 4.408 4.320 0.677 0.000 0.218 123 A C 1.464 179.252 177.584 0.341 0.000 1.181 123 A CA 3.173 55.518 52.037 0.513 0.000 0.627 123 A CB -0.688 18.544 19.000 0.387 0.000 0.818 123 A HN 0.039 8.481 8.150 0.487 0.000 0.445 124 A N -1.930 121.042 122.820 0.253 0.000 1.877 124 A HA -0.400 3.997 4.320 0.129 0.000 0.216 124 A C 1.648 179.309 177.584 0.129 0.000 1.186 124 A CA 3.035 55.173 52.037 0.168 0.000 0.620 124 A CB -0.684 18.413 19.000 0.161 0.000 0.822 124 A HN -0.467 7.849 8.150 0.277 0.000 0.443 125 D N -1.803 118.688 120.400 0.151 0.000 2.144 125 D HA -0.290 4.405 4.640 0.092 0.000 0.199 125 D C 2.710 179.011 176.300 0.002 0.000 0.984 125 D CA 3.354 57.398 54.000 0.075 0.000 0.834 125 D CB -0.667 40.172 40.800 0.064 0.000 0.955 125 D HN -0.199 8.294 8.370 0.205 0.000 0.465 126 Q N -1.150 118.633 119.800 -0.028 0.000 2.123 126 Q HA -0.181 4.112 4.340 -0.079 0.000 0.199 126 Q C 2.352 178.485 176.000 0.223 0.000 0.966 126 Q CA 2.352 58.149 55.803 -0.010 0.000 0.845 126 Q CB -0.324 28.285 28.738 -0.215 0.000 0.907 126 Q HN -0.009 8.227 8.270 -0.031 0.015 0.439 127 A N 0.560 123.564 122.820 0.307 0.000 1.883 127 A HA -0.267 4.286 4.320 0.253 -0.081 0.217 127 A C 2.134 179.765 177.584 0.079 0.000 1.186 127 A CA 3.290 55.443 52.037 0.192 0.000 0.624 127 A CB -0.675 18.371 19.000 0.076 0.000 0.822 127 A HN -0.033 8.305 8.150 0.312 0.000 0.444 128 T N -0.414 114.169 114.554 0.048 0.000 2.777 128 T HA -0.350 3.999 4.350 -0.003 0.000 0.266 128 T C 1.634 176.346 174.700 0.020 0.000 1.040 128 T CA 4.046 66.154 62.100 0.013 0.000 1.141 128 T CB -0.162 68.707 68.868 0.000 0.000 0.868 128 T HN -0.475 7.800 8.240 0.058 0.000 0.444 129 A N 0.084 122.920 122.820 0.027 0.000 1.933 129 A HA -0.122 4.206 4.320 0.013 0.000 0.218 129 A C 1.509 179.108 177.584 0.024 0.000 1.175 129 A CA 2.571 54.618 52.037 0.017 0.000 0.628 129 A CB -0.013 18.988 19.000 0.001 0.000 0.814 129 A HN -0.122 8.047 8.150 0.032 0.000 0.444 130 T N -5.276 109.309 114.554 0.051 0.000 3.067 130 T HA -0.039 4.336 4.350 0.042 0.000 0.257 130 T C 1.484 176.204 174.700 0.034 0.000 1.105 130 T CA -0.099 62.037 62.100 0.060 0.000 1.104 130 T CB 0.602 69.550 68.868 0.134 0.000 0.925 130 T HN -0.417 7.847 8.240 0.072 0.020 0.498 131 G N 2.621 111.431 108.800 0.016 0.000 2.160 131 G HA2 -0.391 3.557 3.960 -0.021 0.000 0.251 131 G HA3 -0.391 3.552 3.960 -0.027 0.000 0.251 131 G C -0.888 173.979 174.900 -0.055 0.000 1.008 131 G CA 0.536 45.623 45.100 -0.021 0.000 0.724 131 G HN -0.233 8.027 8.290 0.023 0.044 0.514 132 T N -3.006 111.516 114.554 -0.053 0.000 2.887 132 T HA 0.212 4.459 4.350 -0.172 0.000 0.288 132 T C -0.825 173.720 174.700 -0.258 0.000 1.021 132 T CA -2.376 59.642 62.100 -0.137 0.000 1.000 132 T CB 2.689 71.517 68.868 -0.067 0.000 1.034 132 T HN -0.655 7.581 8.240 -0.007 0.000 0.467 133 K N 3.355 123.479 120.400 -0.460 0.000 2.322 133 K HA 0.049 3.975 4.320 -0.658 0.000 0.283 133 K C -0.790 175.440 176.600 -0.618 0.000 1.042 133 K CA -0.302 55.521 56.287 -0.773 0.000 0.958 133 K CB 0.486 32.069 32.500 -1.529 0.000 0.984 133 K HN 0.303 8.281 8.250 -0.453 0.000 0.473 134 T N 3.832 118.135 114.554 -0.419 0.000 2.886 134 T HA 0.611 4.875 4.350 -0.449 -0.184 0.292 134 T C -1.333 173.363 174.700 -0.006 0.000 1.012 134 T CA -0.408 61.504 62.100 -0.314 0.000 0.982 134 T CB 3.042 71.697 68.868 -0.355 0.000 1.018 134 T HN 0.199 8.221 8.240 -0.364 0.000 0.451 135 I N 5.469 126.009 120.570 -0.050 0.000 2.362 135 I HA 0.460 4.860 4.170 0.086 -0.178 0.289 135 I C -1.483 174.602 176.117 -0.053 0.000 0.994 135 I CA -1.056 60.258 61.300 0.025 0.000 1.158 135 I CB 2.500 40.528 38.000 0.047 0.000 1.315 135 I HN 0.799 8.898 8.210 -0.184 0.000 0.451 136 I N 7.772 128.337 120.570 -0.007 0.000 2.342 136 I HA 0.197 4.492 4.170 -0.033 -0.146 0.291 136 I C -1.665 174.457 176.117 0.007 0.000 1.010 136 I CA -0.499 60.799 61.300 -0.003 0.000 1.308 136 I CB 1.370 39.395 38.000 0.043 0.000 1.400 136 I HN 0.592 8.815 8.210 0.021 0.000 0.488 137 S N 8.181 123.881 115.700 -0.000 0.000 2.530 137 S HA 0.640 5.285 4.470 0.017 -0.165 0.322 137 S C -1.489 173.132 174.600 0.035 0.000 1.085 137 S CA -1.175 57.033 58.200 0.012 0.000 1.096 137 S CB 1.688 64.886 63.200 -0.004 0.000 0.988 137 S HN 0.540 8.843 8.310 -0.012 0.000 0.466 138 M N 9.358 128.987 119.600 0.048 0.000 2.006 138 M HA 0.404 4.928 4.480 0.072 0.000 0.314 138 M C -0.987 175.361 176.300 0.081 0.000 0.926 138 M CA -0.938 54.402 55.300 0.066 0.000 0.906 138 M CB 3.002 35.641 32.600 0.065 0.000 1.422 138 M HN 0.179 8.496 8.290 0.044 0.000 0.397 139 S N 6.440 122.206 115.700 0.111 0.000 4.120 139 S HA 0.078 4.622 4.470 0.124 0.000 0.196 139 S C -0.785 173.928 174.600 0.188 0.000 1.447 139 S CA -0.155 58.138 58.200 0.156 0.000 0.939 139 S CB -2.054 61.247 63.200 0.169 0.000 1.496 139 S HN 0.544 8.922 8.310 0.113 0.000 0.460 140 L N -1.001 120.289 121.223 0.111 0.000 2.775 140 L HA 0.384 4.758 4.340 0.056 0.000 0.263 140 L C -2.243 174.665 176.870 0.064 0.000 1.017 140 L CA -0.097 54.784 54.840 0.069 0.000 0.891 140 L CB 2.109 44.197 42.059 0.047 0.000 1.482 140 L HN -0.700 7.538 8.230 0.098 0.051 0.410 141 G N -1.070 107.761 108.800 0.052 0.000 2.328 141 G HA2 0.074 4.078 3.960 0.076 0.000 0.295 141 G HA3 0.074 4.188 3.960 0.083 -0.104 0.295 141 G C -2.358 172.583 174.900 0.067 0.000 1.413 141 G CA -0.046 45.097 45.100 0.071 0.000 0.817 141 G HN -0.052 8.258 8.290 0.034 0.000 0.546 142 S N -1.955 113.806 115.700 0.102 0.000 2.588 142 S HA 0.466 4.979 4.470 0.072 0.000 0.275 142 S C -0.488 174.205 174.600 0.155 0.000 1.130 142 S CA -0.745 57.514 58.200 0.099 0.000 0.855 142 S CB 2.799 66.047 63.200 0.080 0.000 1.116 142 S HN 0.126 8.516 8.310 0.134 0.000 0.472 143 S N 1.817 117.595 115.700 0.130 0.000 2.423 143 S HA -0.111 4.478 4.470 0.198 0.000 0.231 143 S C 1.023 175.757 174.600 0.223 0.000 1.014 143 S CA 1.129 59.433 58.200 0.173 0.000 0.965 143 S CB -0.025 63.241 63.200 0.110 0.000 0.785 143 S HN 0.258 8.624 8.310 0.094 0.000 0.495 144 A N 3.312 126.204 122.820 0.119 0.000 2.327 144 A HA 0.138 4.446 4.320 -0.020 0.000 0.283 144 A C -1.284 176.220 177.584 -0.133 0.000 1.127 144 A CA -0.477 51.560 52.037 0.000 0.000 0.810 144 A CB 0.989 19.981 19.000 -0.014 0.000 1.066 144 A HN -0.511 7.665 8.150 0.101 0.034 0.492 145 N N 2.232 120.630 118.700 -0.504 0.000 2.439 145 N HA -0.119 4.168 4.740 -0.755 0.000 0.243 145 N C -0.951 174.380 175.510 -0.299 0.000 1.088 145 N CA -0.310 52.282 53.050 -0.762 0.000 0.940 145 N CB -0.724 37.025 38.487 -1.230 0.000 1.180 145 N HN 0.149 8.250 8.380 -0.465 0.000 0.505 146 N N 5.956 124.571 118.700 -0.142 0.000 2.458 146 N HA 0.046 4.747 4.740 -0.065 0.000 0.270 146 N C 0.951 176.434 175.510 -0.044 0.000 1.102 146 N CA 0.165 53.179 53.050 -0.061 0.000 0.967 146 N CB 2.216 40.699 38.487 -0.006 0.000 1.078 146 N HN -0.007 8.310 8.380 -0.106 0.000 0.471 147 S N 5.437 121.114 115.700 -0.038 0.000 2.453 147 S HA 0.047 4.502 4.470 -0.026 0.000 0.231 147 S C 2.190 176.790 174.600 -0.000 0.000 1.005 147 S CA 1.864 60.051 58.200 -0.022 0.000 0.949 147 S CB -0.096 63.090 63.200 -0.024 0.000 0.774 147 S HN 0.569 8.855 8.310 -0.039 0.000 0.510 148 L N 2.844 124.069 121.223 0.003 0.000 2.017 148 L HA -0.227 4.117 4.340 0.006 0.000 0.208 148 L C 2.436 179.320 176.870 0.025 0.000 1.073 148 L CA 2.663 57.509 54.840 0.011 0.000 0.745 148 L CB -0.514 41.553 42.059 0.013 0.000 0.894 148 L HN -0.648 7.715 8.230 -0.000 -0.134 0.432 149 I N -2.004 118.586 120.570 0.033 0.000 2.252 149 I HA -0.545 3.658 4.170 0.054 0.000 0.245 149 I C 1.919 178.076 176.117 0.067 0.000 1.102 149 I CA 4.399 65.731 61.300 0.054 0.000 1.385 149 I CB -0.281 37.757 38.000 0.064 0.000 1.064 149 I HN -0.413 8.081 8.210 0.028 -0.268 0.414 150 S N -0.290 115.444 115.700 0.056 0.000 2.356 150 S HA -0.314 4.212 4.470 0.092 0.000 0.223 150 S C 1.944 176.588 174.600 0.074 0.000 1.032 150 S CA 3.605 61.846 58.200 0.070 0.000 1.005 150 S CB -0.839 62.387 63.200 0.043 0.000 0.867 150 S HN -0.016 8.317 8.310 0.037 0.000 0.449 151 S N 2.371 118.105 115.700 0.057 0.000 2.382 151 S HA -0.251 4.266 4.470 0.078 0.000 0.228 151 S C 1.690 176.353 174.600 0.105 0.000 1.027 151 S CA 2.851 61.093 58.200 0.070 0.000 0.991 151 S CB -0.933 62.291 63.200 0.039 0.000 0.823 151 S HN -0.261 8.074 8.310 0.042 0.000 0.469 152 A N 2.149 125.020 122.820 0.085 0.000 1.902 152 A HA -0.219 4.166 4.320 0.109 0.000 0.217 152 A C 1.774 179.473 177.584 0.191 0.000 1.181 152 A CA 2.967 55.074 52.037 0.117 0.000 0.623 152 A CB -0.838 18.205 19.000 0.071 0.000 0.818 152 A HN -0.357 7.831 8.150 0.063 0.000 0.443 153 V N -1.174 118.831 119.914 0.152 0.000 2.332 153 V HA -0.533 3.691 4.120 0.173 0.000 0.248 153 V C 2.027 178.240 176.094 0.197 0.000 1.055 153 V CA 4.093 66.492 62.300 0.165 0.000 1.038 153 V CB -0.914 30.987 31.823 0.129 0.000 0.651 153 V HN -0.013 8.252 8.190 0.125 0.000 0.450 154 N N 0.296 119.100 118.700 0.173 0.000 2.120 154 N HA -0.328 4.509 4.740 0.161 0.000 0.188 154 N C 2.204 177.852 175.510 0.230 0.000 1.024 154 N CA 2.916 56.071 53.050 0.175 0.000 0.852 154 N CB -0.468 38.097 38.487 0.130 0.000 1.003 154 N HN -0.358 8.111 8.380 0.149 0.000 0.424 155 Y N 2.407 122.769 120.300 0.103 0.000 2.097 155 Y HA -0.408 4.195 4.550 0.089 0.000 0.282 155 Y C 1.293 177.256 175.900 0.106 0.000 1.152 155 Y CA 3.638 61.794 58.100 0.094 0.000 1.136 155 Y CB 0.096 38.603 38.460 0.078 0.000 0.975 155 Y HN -0.139 8.339 8.280 0.331 0.000 0.498 156 A N -1.801 121.161 122.820 0.236 0.000 1.902 156 A HA -0.424 3.917 4.320 0.035 0.000 0.217 156 A C 1.605 179.222 177.584 0.054 0.000 1.181 156 A CA 3.007 55.114 52.037 0.116 0.000 0.623 156 A CB -0.817 18.293 19.000 0.184 0.000 0.818 156 A HN -0.053 8.301 8.150 0.341 0.000 0.443 157 Y N -0.658 119.664 120.300 0.036 0.000 2.165 157 Y HA -0.320 4.437 4.550 0.029 -0.190 0.286 157 Y C 2.940 178.838 175.900 -0.003 0.000 1.155 157 Y CA 3.288 61.402 58.100 0.023 0.000 1.164 157 Y CB 0.419 38.897 38.460 0.030 0.000 0.978 157 Y HN -0.070 8.377 8.280 0.278 0.000 0.513 158 S N -1.841 113.929 115.700 0.116 0.000 2.442 158 S HA -0.178 4.350 4.470 0.095 0.000 0.236 158 S C 1.196 175.745 174.600 -0.085 0.000 1.007 158 S CA 2.404 60.623 58.200 0.031 0.000 0.965 158 S CB -0.846 62.364 63.200 0.018 0.000 0.773 158 S HN -0.021 8.366 8.310 0.150 0.012 0.504 159 K N -0.392 119.915 120.400 -0.155 0.000 2.417 159 K HA 0.129 4.360 4.320 -0.147 0.000 0.196 159 K C -0.128 176.404 176.600 -0.113 0.000 1.023 159 K CA -0.808 55.382 56.287 -0.163 0.000 1.122 159 K CB 0.249 32.605 32.500 -0.240 0.000 0.850 159 K HN -0.698 7.301 8.250 -0.152 0.160 0.521 160 G N -2.270 106.445 108.800 -0.142 0.000 2.159 160 G HA2 -0.284 3.642 3.960 -0.056 0.000 0.227 160 G HA3 -0.284 3.575 3.960 -0.168 0.000 0.227 160 G C -0.231 174.641 174.900 -0.047 0.000 0.986 160 G CA -0.189 44.843 45.100 -0.114 0.000 0.651 160 G HN -0.531 7.471 8.290 -0.181 0.180 0.523 161 V N 1.061 120.926 119.914 -0.083 0.000 2.649 161 V HA -0.022 4.307 4.120 0.111 -0.143 0.292 161 V C -0.702 175.363 176.094 -0.049 0.000 1.055 161 V CA 0.237 62.547 62.300 0.016 0.000 1.023 161 V CB 0.676 32.516 31.823 0.029 0.000 0.992 161 V HN -0.555 7.564 8.190 -0.118 0.000 0.480 162 L N 6.512 127.760 121.223 0.042 0.000 2.312 162 L HA 0.327 4.629 4.340 -0.065 0.000 0.281 162 L C -1.864 175.031 176.870 0.042 0.000 1.070 162 L CA -0.737 54.082 54.840 -0.035 0.000 0.805 162 L CB 2.315 44.272 42.059 -0.169 0.000 1.174 162 L HN -0.283 8.051 8.230 0.173 0.000 0.434 163 I N 5.365 125.988 120.570 0.089 0.000 2.378 163 I HA 0.371 4.734 4.170 0.064 -0.154 0.291 163 I C -1.290 174.855 176.117 0.047 0.000 0.992 163 I CA -0.824 60.525 61.300 0.082 0.000 1.154 163 I CB 1.975 40.049 38.000 0.124 0.000 1.315 163 I HN 0.252 8.543 8.210 0.134 0.000 0.448 164 V N 7.232 127.162 119.914 0.028 0.000 2.540 164 V HA 0.477 4.731 4.120 0.004 -0.132 0.302 164 V C -1.993 174.116 176.094 0.024 0.000 1.035 164 V CA -1.766 60.541 62.300 0.012 0.000 0.873 164 V CB 2.705 34.528 31.823 0.000 0.000 0.992 164 V HN 0.582 8.790 8.190 0.031 0.000 0.428 165 A N 5.235 128.068 122.820 0.021 0.000 2.572 165 A HA 0.763 5.290 4.320 0.043 -0.180 0.295 165 A C -2.578 175.024 177.584 0.030 0.000 1.072 165 A CA -1.807 50.250 52.037 0.033 0.000 0.691 165 A CB 4.433 23.456 19.000 0.038 0.000 1.291 165 A HN 0.768 8.924 8.150 0.009 0.000 0.404 166 A N -0.488 122.361 122.820 0.048 0.000 2.445 166 A HA 0.277 4.630 4.320 0.054 0.000 0.242 166 A C 0.440 178.046 177.584 0.036 0.000 1.075 166 A CA -0.409 51.661 52.037 0.055 0.000 0.777 166 A CB 0.756 19.805 19.000 0.082 0.000 1.013 166 A HN -0.132 8.053 8.150 0.058 0.000 0.493 167 A N 1.073 123.913 122.820 0.035 0.000 1.969 167 A HA -0.206 4.109 4.320 -0.008 0.000 0.218 167 A C -0.533 177.071 177.584 0.034 0.000 1.169 167 A CA 1.500 53.547 52.037 0.017 0.000 0.635 167 A CB 0.762 19.771 19.000 0.016 0.000 0.810 167 A HN 0.138 8.314 8.150 0.043 0.000 0.445 168 G N -6.089 102.752 108.800 0.069 0.000 2.497 168 G HA2 -0.251 3.748 3.960 0.065 0.000 0.686 168 G HA3 -0.251 3.757 3.960 0.080 0.000 0.686 168 G C -2.713 172.263 174.900 0.127 0.000 1.288 168 G CA -0.778 44.371 45.100 0.081 0.000 0.899 168 G HN -0.814 7.492 8.290 0.081 0.033 0.608 169 N N -0.325 118.450 118.700 0.124 0.000 2.416 169 N HA 0.366 5.421 4.740 0.303 -0.133 0.267 169 N C -0.967 174.631 175.510 0.147 0.000 1.294 169 N CA -0.333 52.826 53.050 0.182 0.000 0.891 169 N CB 0.970 39.508 38.487 0.084 0.000 1.238 169 N HN 0.203 8.638 8.380 0.091 0.000 0.508 170 S N 0.600 116.364 115.700 0.106 0.000 2.574 170 S HA 0.146 4.653 4.470 0.061 0.000 0.242 170 S C -0.066 174.561 174.600 0.045 0.000 0.982 170 S CA 0.204 58.442 58.200 0.063 0.000 0.977 170 S CB 0.655 63.877 63.200 0.038 0.000 0.814 170 S HN -0.184 8.121 8.310 0.102 0.066 0.464 171 G N 0.218 109.072 108.800 0.090 0.000 2.651 171 G HA2 -0.020 4.231 3.960 0.132 0.000 0.260 171 G HA3 -0.020 3.971 3.960 0.052 0.000 0.260 171 G C -0.472 174.435 174.900 0.012 0.000 1.216 171 G CA -0.772 44.378 45.100 0.084 0.000 0.913 171 G HN -0.390 7.824 8.290 0.136 0.157 0.535 172 Y N -7.231 113.072 120.300 0.004 0.000 2.555 172 Y HA 0.343 4.902 4.550 0.015 0.000 0.259 172 Y C -0.759 175.149 175.900 0.015 0.000 1.179 172 Y CA -2.373 55.732 58.100 0.008 0.000 1.230 172 Y CB -0.014 38.469 38.460 0.038 0.000 1.146 172 Y HN 0.041 7.941 8.280 -0.633 0.000 0.526 173 S N 0.287 115.925 115.700 -0.104 0.000 2.568 173 S HA -0.117 4.361 4.470 0.013 0.000 0.282 173 S C 0.056 174.692 174.600 0.060 0.000 1.338 173 S CA -0.317 57.864 58.200 -0.032 0.000 1.045 173 S CB 0.452 63.589 63.200 -0.106 0.000 0.873 173 S HN -0.379 7.795 8.310 -0.227 0.000 0.516 174 Q N 5.306 125.162 119.800 0.093 0.000 2.304 174 Q HA -0.522 3.887 4.340 0.114 0.000 0.301 174 Q C 1.676 177.549 176.000 -0.210 0.000 1.063 174 Q CA 1.737 57.523 55.803 -0.029 0.000 0.947 174 Q CB 0.309 28.930 28.738 -0.194 0.000 1.201 174 Q HN 0.369 8.703 8.270 0.107 0.000 0.389 175 G N 6.792 115.292 108.800 -0.500 0.000 2.147 175 G HA2 -0.284 3.300 3.960 -0.627 0.000 0.244 175 G HA3 -0.284 2.566 3.960 -1.849 0.000 0.244 175 G C -0.283 174.416 174.900 -0.335 0.000 1.005 175 G CA 0.364 44.956 45.100 -0.847 0.000 0.713 175 G HN 0.564 8.565 8.290 -0.480 0.000 0.515 176 T N -3.383 111.055 114.554 -0.194 0.000 3.060 176 T HA -0.071 4.261 4.350 -0.030 0.000 0.249 176 T C 0.375 175.056 174.700 -0.032 0.000 1.079 176 T CA -0.174 61.890 62.100 -0.061 0.000 1.013 176 T CB 1.165 70.018 68.868 -0.025 0.000 0.975 176 T HN -0.371 7.750 8.240 -0.198 0.000 0.518 177 I N 3.566 124.092 120.570 -0.073 0.000 2.845 177 I HA -0.422 3.878 4.170 -0.031 -0.148 0.296 177 I C -0.082 176.010 176.117 -0.041 0.000 1.216 177 I CA 1.371 62.640 61.300 -0.050 0.000 1.438 177 I CB 0.525 38.487 38.000 -0.064 0.000 1.342 177 I HN -0.471 7.653 8.210 -0.144 0.000 0.577 178 G N 6.587 115.360 108.800 -0.044 0.000 2.601 178 G HA2 0.617 4.661 3.960 0.063 0.000 0.317 178 G HA3 0.617 4.648 3.960 0.083 -0.021 0.317 178 G C -2.477 172.333 174.900 -0.149 0.000 1.246 178 G CA -1.277 43.825 45.100 0.002 0.000 1.012 178 G HN 0.097 8.367 8.290 -0.034 0.000 0.494 179 Y N -3.382 116.951 120.300 0.055 0.000 2.409 179 Y HA 0.289 4.929 4.550 0.050 -0.060 0.339 179 Y C -1.212 174.714 175.900 0.043 0.000 1.033 179 Y CA -2.592 55.537 58.100 0.049 0.000 1.094 179 Y CB 1.791 40.278 38.460 0.045 0.000 1.210 179 Y HN 0.274 8.747 8.280 0.321 0.000 0.456 180 P HA 0.097 4.688 4.420 0.285 0.000 0.241 180 P C 1.105 178.435 177.300 0.050 0.000 1.191 180 P CA 0.757 63.959 63.100 0.169 0.000 0.771 180 P CB 0.306 32.083 31.700 0.129 0.000 0.929 181 G N 0.650 109.441 108.800 -0.014 0.000 2.469 181 G HA2 -0.341 3.585 3.960 -0.057 0.000 0.219 181 G HA3 -0.341 3.604 3.960 -0.026 0.000 0.219 181 G C -0.131 174.688 174.900 -0.135 0.000 1.150 181 G CA 1.679 46.745 45.100 -0.058 0.000 0.763 181 G HN 0.271 8.509 8.290 0.008 0.057 0.561 182 A N -0.164 122.455 122.820 -0.336 0.000 2.239 182 A HA -0.080 4.094 4.320 -0.242 0.000 0.209 182 A C -0.242 177.207 177.584 -0.225 0.000 1.171 182 A CA 0.128 51.911 52.037 -0.423 0.000 0.768 182 A CB 0.177 18.604 19.000 -0.955 0.000 0.790 182 A HN -0.491 7.376 8.150 -0.439 0.020 0.478 183 L N -1.321 119.866 121.223 -0.059 0.000 2.461 183 L HA -0.031 4.398 4.340 0.147 0.000 0.272 183 L C -1.065 175.806 176.870 0.001 0.000 1.197 183 L CA -1.652 53.231 54.840 0.072 0.000 0.836 183 L CB -0.814 41.314 42.059 0.115 0.000 1.105 183 L HN -0.561 7.567 8.230 -0.060 0.066 0.477 184 P HA -0.190 4.205 4.420 -0.042 0.000 0.218 184 P C 0.296 177.527 177.300 -0.115 0.000 1.148 184 P CA 2.538 65.608 63.100 -0.050 0.000 0.822 184 P CB 0.099 31.771 31.700 -0.047 0.000 0.784 185 N N -4.986 113.635 118.700 -0.133 0.000 2.322 185 N HA 0.042 4.535 4.740 -0.411 0.000 0.194 185 N C -1.736 173.733 175.510 -0.067 0.000 1.126 185 N CA -0.386 52.514 53.050 -0.250 0.000 0.845 185 N CB -0.143 38.167 38.487 -0.296 0.000 0.976 185 N HN 0.251 8.556 8.380 -0.080 0.027 0.475 186 A N -2.245 120.560 122.820 -0.024 0.000 2.337 186 A HA 0.408 4.891 4.320 0.044 -0.137 0.329 186 A C -1.500 176.068 177.584 -0.026 0.000 1.146 186 A CA -2.026 50.018 52.037 0.011 0.000 0.800 186 A CB 2.776 21.792 19.000 0.026 0.000 1.220 186 A HN -0.774 7.287 8.150 -0.037 0.067 0.472 187 I N 2.532 123.089 120.570 -0.023 0.000 2.308 187 I HA 0.028 4.379 4.170 -0.090 -0.235 0.293 187 I C -0.764 175.322 176.117 -0.051 0.000 1.078 187 I CA -0.384 60.879 61.300 -0.061 0.000 1.292 187 I CB 0.817 38.778 38.000 -0.065 0.000 1.423 187 I HN 0.082 8.292 8.210 -0.001 0.000 0.493 188 A N 9.053 131.833 122.820 -0.067 0.000 2.362 188 A HA 0.564 5.063 4.320 -0.032 -0.199 0.276 188 A C -0.866 176.691 177.584 -0.044 0.000 1.153 188 A CA -1.100 50.908 52.037 -0.049 0.000 0.813 188 A CB 1.054 20.020 19.000 -0.057 0.000 1.081 188 A HN 0.493 8.592 8.150 -0.085 0.000 0.507 189 V N 4.366 124.270 119.914 -0.017 0.000 2.384 189 V HA 0.806 5.154 4.120 -0.022 -0.241 0.287 189 V C -0.761 175.335 176.094 0.002 0.000 1.020 189 V CA -1.980 60.315 62.300 -0.009 0.000 0.850 189 V CB 1.513 33.342 31.823 0.010 0.000 0.987 189 V HN -0.101 8.085 8.190 -0.006 0.000 0.436 190 A N 7.678 130.488 122.820 -0.017 0.000 2.302 190 A HA 0.498 4.816 4.320 -0.002 0.000 0.285 190 A C -2.036 175.524 177.584 -0.040 0.000 1.105 190 A CA -1.913 50.110 52.037 -0.023 0.000 0.816 190 A CB 2.557 21.529 19.000 -0.047 0.000 1.067 190 A HN 0.427 8.561 8.150 -0.026 0.000 0.489 191 A N 1.086 123.886 122.820 -0.034 0.000 2.274 191 A HA 0.875 5.345 4.320 -0.036 -0.172 0.309 191 A C -0.921 176.592 177.584 -0.119 0.000 1.226 191 A CA -2.030 49.986 52.037 -0.035 0.000 0.853 191 A CB 1.347 20.416 19.000 0.114 0.000 1.146 191 A HN 0.067 8.198 8.150 -0.031 0.000 0.518 192 L N 3.919 125.063 121.223 -0.131 0.000 2.379 192 L HA 0.554 4.976 4.340 -0.109 -0.148 0.269 192 L C -0.053 176.869 176.870 0.086 0.000 1.084 192 L CA -1.166 53.614 54.840 -0.101 0.000 0.802 192 L CB 1.599 43.498 42.059 -0.266 0.000 1.175 192 L HN 0.515 8.544 8.230 -0.165 0.102 0.448 193 E N -0.133 120.111 120.200 0.072 0.000 2.249 193 E HA 0.310 4.779 4.350 0.199 0.000 0.263 193 E C -1.208 175.358 176.600 -0.058 0.000 0.950 193 E CA -2.288 54.153 56.400 0.069 0.000 0.827 193 E CB 2.279 31.970 29.700 -0.014 0.000 1.220 193 E HN 0.270 8.636 8.360 0.010 0.000 0.411 194 N N 2.148 120.538 118.700 -0.516 0.000 3.303 194 N HA 0.019 4.514 4.740 -0.408 0.000 0.304 194 N C -1.507 173.810 175.510 -0.323 0.000 1.302 194 N CA -0.069 52.553 53.050 -0.714 0.000 1.213 194 N CB -1.420 36.114 38.487 -1.588 0.000 1.481 194 N HN 0.374 8.433 8.380 -0.535 0.000 0.546 195 V N 2.491 122.308 119.914 -0.161 0.000 2.808 195 V HA 0.164 4.175 4.120 -0.181 0.000 0.308 195 V C -1.650 174.340 176.094 -0.173 0.000 1.099 195 V CA -1.537 60.665 62.300 -0.163 0.000 0.920 195 V CB 4.567 36.308 31.823 -0.137 0.000 1.014 195 V HN -0.388 7.691 8.190 -0.061 0.075 0.425 196 Q N 3.918 123.596 119.800 -0.204 0.000 2.241 196 Q HA 0.654 5.071 4.340 -0.237 -0.219 0.254 196 Q C -0.634 175.274 176.000 -0.152 0.000 0.917 196 Q CA -1.564 54.112 55.803 -0.211 0.000 0.919 196 Q CB 1.481 30.084 28.738 -0.224 0.000 1.237 196 Q HN 0.116 8.271 8.270 -0.191 0.000 0.434 197 Q N 3.527 123.246 119.800 -0.136 0.000 2.309 197 Q HA 0.231 4.499 4.340 -0.119 0.000 0.273 197 Q C -1.217 174.722 176.000 -0.102 0.000 1.040 197 Q CA -0.205 55.523 55.803 -0.124 0.000 0.834 197 Q CB 2.743 31.390 28.738 -0.151 0.000 1.345 197 Q HN 0.272 8.462 8.270 -0.133 0.000 0.414 198 N N 4.477 123.124 118.700 -0.088 0.000 2.725 198 N HA -0.383 4.321 4.740 -0.061 0.000 0.249 198 N C -0.822 174.655 175.510 -0.055 0.000 1.103 198 N CA 0.688 53.698 53.050 -0.067 0.000 0.707 198 N CB -1.191 37.258 38.487 -0.065 0.000 1.043 198 N HN 0.796 9.122 8.380 -0.090 0.000 0.553 199 G N -8.262 100.498 108.800 -0.067 0.000 2.162 199 G HA2 -0.303 3.631 3.960 -0.044 0.000 0.260 199 G HA3 -0.303 3.614 3.960 -0.072 0.000 0.260 199 G C -0.939 173.924 174.900 -0.062 0.000 0.976 199 G CA 0.330 45.393 45.100 -0.061 0.000 0.655 199 G HN 0.184 8.392 8.290 -0.078 0.035 0.533 200 T N -4.188 110.325 114.554 -0.068 0.000 2.838 200 T HA 0.238 4.569 4.350 -0.032 0.000 0.292 200 T C -1.191 173.456 174.700 -0.089 0.000 1.113 200 T CA -2.868 59.212 62.100 -0.032 0.000 1.008 200 T CB 2.493 71.392 68.868 0.052 0.000 1.259 200 T HN -0.622 7.520 8.240 -0.076 0.052 0.520 201 Y N -0.530 119.782 120.300 0.021 0.000 2.652 201 Y HA 0.027 4.716 4.550 -0.040 -0.163 0.344 201 Y C 0.210 176.061 175.900 -0.082 0.000 1.254 201 Y CA 2.334 60.416 58.100 -0.030 0.000 1.480 201 Y CB 0.665 39.100 38.460 -0.042 0.000 1.345 201 Y HN 0.201 8.603 8.280 0.203 0.000 0.617 202 R N -0.854 119.675 120.500 0.048 0.000 2.393 202 R HA 0.166 4.599 4.340 -0.085 -0.144 0.310 202 R C -0.896 175.354 176.300 -0.085 0.000 0.968 202 R CA -1.521 54.540 56.100 -0.065 0.000 0.867 202 R CB 2.307 32.535 30.300 -0.119 0.000 1.124 202 R HN -0.208 8.115 8.270 0.089 0.000 0.450 203 V N 6.799 126.634 119.914 -0.131 0.000 2.599 203 V HA -0.177 3.989 4.120 -0.152 -0.137 0.300 203 V C 0.017 175.985 176.094 -0.210 0.000 1.034 203 V CA 1.011 63.213 62.300 -0.163 0.000 1.115 203 V CB -0.359 31.367 31.823 -0.162 0.000 0.934 203 V HN 0.015 8.124 8.190 -0.134 0.000 0.485 204 A N 7.417 130.065 122.820 -0.286 0.000 2.445 204 A HA -0.124 4.171 4.320 -0.281 -0.143 0.242 204 A C 0.458 177.817 177.584 -0.376 0.000 1.075 204 A CA -0.197 51.588 52.037 -0.420 0.000 0.777 204 A CB 1.127 19.606 19.000 -0.868 0.000 1.013 204 A HN 0.194 8.175 8.150 -0.283 0.000 0.493 205 D N 3.808 124.100 120.400 -0.179 0.000 2.149 205 D HA -0.347 4.375 4.640 0.137 0.000 0.198 205 D C 1.064 177.445 176.300 0.135 0.000 0.990 205 D CA 3.549 57.606 54.000 0.096 0.000 0.839 205 D CB 0.014 40.971 40.800 0.262 0.000 0.948 205 D HN 0.736 9.018 8.370 -0.147 0.000 0.460 206 Y N -7.024 113.369 120.300 0.154 0.000 2.421 206 Y HA -0.065 4.554 4.550 0.116 0.000 0.292 206 Y C 0.440 176.395 175.900 0.091 0.000 1.136 206 Y CA -1.374 56.794 58.100 0.112 0.000 1.255 206 Y CB -1.350 37.159 38.460 0.082 0.000 0.991 206 Y HN -0.399 7.687 8.280 -0.284 0.023 0.552 207 S N 1.963 117.594 115.700 -0.115 0.000 2.537 207 S HA -0.070 4.634 4.470 0.179 -0.127 0.286 207 S C 0.351 174.990 174.600 0.064 0.000 1.299 207 S CA -0.020 58.190 58.200 0.016 0.000 1.067 207 S CB 0.261 63.380 63.200 -0.136 0.000 0.864 207 S HN -0.615 7.402 8.310 -0.403 0.052 0.494 208 S N 8.621 124.371 115.700 0.083 0.000 2.562 208 S HA -0.066 4.500 4.470 0.057 -0.062 0.281 208 S C 0.033 174.647 174.600 0.023 0.000 1.333 208 S CA 1.651 59.881 58.200 0.050 0.000 1.052 208 S CB 0.554 63.777 63.200 0.038 0.000 0.884 208 S HN 0.148 8.434 8.310 0.106 0.088 0.506 209 R N 3.724 124.239 120.500 0.025 0.000 2.540 209 R HA 0.435 4.905 4.340 0.039 -0.107 0.287 209 R C 0.592 176.886 176.300 -0.010 0.000 0.980 209 R CA -1.926 54.210 56.100 0.060 0.000 0.966 209 R CB 2.125 32.541 30.300 0.192 0.000 1.106 209 R HN 0.021 8.304 8.270 0.023 0.000 0.480 210 G N 0.887 109.729 108.800 0.070 0.000 2.624 210 G HA2 0.325 4.399 3.960 0.096 0.000 0.217 210 G HA3 0.325 4.230 3.960 -0.178 -0.052 0.217 210 G C -1.725 173.032 174.900 -0.238 0.000 1.506 210 G CA -0.790 44.284 45.100 -0.044 0.000 1.072 210 G HN 0.256 8.632 8.290 0.143 0.000 0.568 211 Y N -4.111 116.204 120.300 0.026 0.000 2.393 211 Y HA 0.181 4.613 4.550 -0.197 0.000 0.341 211 Y C 0.711 176.510 175.900 -0.168 0.000 0.988 211 Y CA -0.441 57.590 58.100 -0.114 0.000 1.078 211 Y CB 2.611 41.037 38.460 -0.056 0.000 1.203 211 Y HN -0.434 7.990 8.280 0.240 0.000 0.453 212 I N 3.384 123.835 120.570 -0.199 0.000 2.208 212 I HA -0.578 3.494 4.170 -0.163 0.000 0.245 212 I C 2.134 178.242 176.117 -0.014 0.000 1.097 212 I CA 4.378 65.582 61.300 -0.160 0.000 1.363 212 I CB 0.012 37.885 38.000 -0.212 0.000 1.051 212 I HN 0.394 8.789 8.210 -0.275 -0.349 0.413 213 S N -1.947 113.761 115.700 0.014 0.000 2.383 213 S HA -0.220 4.250 4.470 0.000 0.000 0.229 213 S C 1.382 175.993 174.600 0.018 0.000 1.030 213 S CA 2.619 60.825 58.200 0.009 0.000 1.002 213 S CB -0.384 62.814 63.200 -0.003 0.000 0.829 213 S HN 0.462 8.791 8.310 0.032 0.000 0.467 214 T N -3.176 111.404 114.554 0.043 0.000 3.069 214 T HA 0.053 4.420 4.350 0.028 0.000 0.252 214 T C -0.446 174.290 174.700 0.060 0.000 1.053 214 T CA -0.580 61.546 62.100 0.044 0.000 0.964 214 T CB 0.751 69.644 68.868 0.042 0.000 1.005 214 T HN -0.317 7.939 8.240 0.067 0.024 0.532 215 A N 0.351 123.213 122.820 0.069 0.000 2.340 215 A HA -0.136 4.224 4.320 0.066 0.000 0.268 215 A C -0.446 177.135 177.584 -0.006 0.000 1.100 215 A CA 0.299 52.372 52.037 0.061 0.000 0.803 215 A CB 0.484 19.561 19.000 0.129 0.000 1.043 215 A HN -0.826 7.367 8.150 0.072 0.000 0.488 216 G N 1.710 110.451 108.800 -0.098 0.000 2.336 216 G HA2 -0.126 3.782 3.960 -0.087 0.000 0.194 216 G HA3 -0.126 3.876 3.960 -0.230 -0.180 0.194 216 G C 0.141 174.919 174.900 -0.204 0.000 0.999 216 G CA 0.408 45.409 45.100 -0.165 0.000 0.669 216 G HN 0.001 8.475 8.290 -0.127 -0.260 0.482 217 D N 0.778 121.094 120.400 -0.140 0.000 2.339 217 D HA -0.053 4.579 4.640 -0.014 0.000 0.217 217 D C 0.439 176.719 176.300 -0.034 0.000 1.050 217 D CA -1.304 52.666 54.000 -0.051 0.000 0.856 217 D CB 0.055 40.857 40.800 0.002 0.000 0.922 217 D HN -0.106 8.200 8.370 -0.107 0.000 0.518 218 Y N -4.927 115.194 120.300 -0.299 0.000 3.589 218 Y HA -0.514 3.132 4.550 -1.507 0.000 0.218 218 Y C -1.529 174.243 175.900 -0.213 0.000 1.234 218 Y CA 1.481 59.130 58.100 -0.752 0.000 1.576 218 Y CB -1.992 36.019 38.460 -0.748 0.000 1.487 218 Y HN -0.387 7.822 8.280 -0.512 -0.237 0.616 219 V N -2.836 117.189 119.914 0.186 0.000 2.623 219 V HA 0.196 4.511 4.120 0.326 0.000 0.304 219 V C -1.374 174.878 176.094 0.263 0.000 1.054 219 V CA -2.174 60.279 62.300 0.255 0.000 0.882 219 V CB 3.196 35.095 31.823 0.126 0.000 1.002 219 V HN -0.888 7.558 8.190 0.124 -0.182 0.424 220 I N 5.980 126.689 120.570 0.232 0.000 2.379 220 I HA -0.049 4.363 4.170 0.150 -0.152 0.290 220 I C -0.127 176.025 176.117 0.060 0.000 1.063 220 I CA -1.065 60.306 61.300 0.120 0.000 1.351 220 I CB -1.236 36.772 38.000 0.013 0.000 1.410 220 I HN 0.136 8.484 8.210 0.230 0.000 0.505 221 Q N 8.219 128.052 119.800 0.055 0.000 2.252 221 Q HA 0.310 4.660 4.340 0.017 0.000 0.256 221 Q C -1.490 174.521 176.000 0.019 0.000 1.020 221 Q CA -2.013 53.806 55.803 0.027 0.000 0.913 221 Q CB 2.075 30.828 28.738 0.025 0.000 1.286 221 Q HN 0.208 8.867 8.270 0.075 -0.343 0.480 222 E N 0.555 120.762 120.200 0.012 0.000 2.465 222 E HA -0.536 4.009 4.350 0.016 -0.185 0.260 222 E C 1.158 177.766 176.600 0.014 0.000 0.980 222 E CA 1.456 57.867 56.400 0.019 0.000 0.927 222 E CB -0.221 29.507 29.700 0.046 0.000 0.934 222 E HN 0.142 8.507 8.360 0.009 0.000 0.459 223 G N 6.334 115.146 108.800 0.020 0.000 2.175 223 G HA2 -0.493 3.600 3.960 0.221 0.000 0.244 223 G HA3 -0.493 3.549 3.960 0.136 0.000 0.244 223 G C -1.260 173.754 174.900 0.192 0.000 0.982 223 G CA -0.194 45.000 45.100 0.157 0.000 0.641 223 G HN 0.469 8.741 8.290 -0.030 0.000 0.527 224 D N 0.503 120.959 120.400 0.093 0.000 2.225 224 D HA 0.244 4.964 4.640 0.134 0.000 0.248 224 D C -0.357 175.960 176.300 0.029 0.000 1.096 224 D CA -0.367 53.687 54.000 0.091 0.000 0.863 224 D CB 0.679 41.533 40.800 0.089 0.000 1.156 224 D HN -0.725 7.617 8.370 0.055 0.061 0.450 225 I N 2.557 123.151 120.570 0.039 0.000 2.754 225 I HA -0.206 3.949 4.170 -0.025 0.000 0.285 225 I C -0.790 175.297 176.117 -0.049 0.000 1.166 225 I CA -0.420 60.878 61.300 -0.003 0.000 1.417 225 I CB -0.126 37.882 38.000 0.014 0.000 1.382 225 I HN 0.232 8.488 8.210 0.075 0.000 0.588 226 E N 5.600 125.724 120.200 -0.126 0.000 2.520 226 E HA 0.122 4.189 4.350 -0.471 0.000 0.201 226 E C -0.660 175.798 176.600 -0.235 0.000 0.894 226 E CA 0.149 56.356 56.400 -0.321 0.000 1.161 226 E CB 3.425 32.914 29.700 -0.351 0.000 1.137 226 E HN 0.069 8.371 8.360 -0.097 0.000 0.510 227 I N -1.997 118.506 120.570 -0.113 0.000 2.582 227 I HA 0.444 4.751 4.170 0.007 -0.132 0.292 227 I C -1.663 174.451 176.117 -0.006 0.000 1.066 227 I CA -1.580 59.702 61.300 -0.030 0.000 1.053 227 I CB 3.637 41.620 38.000 -0.029 0.000 1.241 227 I HN -0.477 7.672 8.210 -0.102 0.000 0.421 228 S N 5.376 121.089 115.700 0.022 0.000 2.565 228 S HA 0.742 5.346 4.470 -0.071 -0.176 0.290 228 S C -1.048 173.477 174.600 -0.125 0.000 1.150 228 S CA -0.941 57.223 58.200 -0.060 0.000 1.058 228 S CB 1.974 65.120 63.200 -0.089 0.000 1.032 228 S HN 0.275 8.629 8.310 0.072 0.000 0.510 229 A N 1.207 123.874 122.820 -0.255 0.000 2.610 229 A HA 0.554 4.521 4.320 -0.588 0.000 0.291 229 A C -3.298 173.979 177.584 -0.511 0.000 1.086 229 A CA -1.829 49.975 52.037 -0.388 0.000 0.677 229 A CB 2.219 21.146 19.000 -0.121 0.000 1.278 229 A HN 0.563 8.585 8.150 -0.214 0.000 0.414 230 P HA -0.159 4.127 4.420 -0.435 -0.126 0.263 230 P C -0.653 176.404 177.300 -0.405 0.000 1.195 230 P CA 0.643 63.294 63.100 -0.750 0.000 0.762 230 P CB -0.129 30.689 31.700 -1.470 0.000 0.799 231 G N 3.134 111.924 108.800 -0.017 0.000 2.663 231 G HA2 0.134 4.278 3.960 0.196 0.000 0.200 231 G HA3 0.134 4.174 3.960 0.133 0.000 0.200 231 G C -1.146 173.944 174.900 0.316 0.000 1.114 231 G CA 0.383 45.581 45.100 0.163 0.000 0.861 231 G HN 0.569 8.908 8.290 0.083 0.000 0.702 232 S N 2.507 118.462 115.700 0.424 0.000 2.508 232 S HA 0.277 4.977 4.470 0.382 0.000 0.284 232 S C -0.491 174.402 174.600 0.489 0.000 1.192 232 S CA 0.129 58.585 58.200 0.426 0.000 1.070 232 S CB 0.677 64.092 63.200 0.359 0.000 1.004 232 S HN -0.636 7.946 8.310 0.453 0.000 0.493 233 S N 2.384 118.291 115.700 0.346 0.000 3.697 233 S HA -0.374 4.247 4.470 0.252 0.000 0.388 233 S C -1.128 173.760 174.600 0.481 0.000 0.941 233 S CA 0.950 59.357 58.200 0.345 0.000 1.247 233 S CB -2.047 61.312 63.200 0.264 0.000 0.904 233 S HN 0.499 8.971 8.310 0.270 0.000 0.518 234 V N 1.416 121.558 119.914 0.380 0.000 2.370 234 V HA 0.143 4.440 4.120 0.295 0.000 0.279 234 V C -0.999 175.346 176.094 0.419 0.000 1.029 234 V CA -1.633 60.875 62.300 0.346 0.000 0.870 234 V CB 0.848 32.858 31.823 0.312 0.000 0.984 234 V HN -0.253 8.131 8.190 0.323 0.000 0.451 235 Y N 9.924 130.334 120.300 0.183 0.000 2.359 235 Y HA -0.011 4.846 4.550 0.212 -0.180 0.334 235 Y C -1.530 174.361 175.900 -0.016 0.000 1.058 235 Y CA 0.432 58.615 58.100 0.137 0.000 1.244 235 Y CB 0.702 39.208 38.460 0.077 0.000 1.187 235 Y HN 0.312 8.828 8.280 0.393 0.000 0.510 236 S N 6.627 122.059 115.700 -0.447 0.000 2.672 236 S HA 0.307 4.534 4.470 -0.404 0.000 0.271 236 S C -1.738 172.680 174.600 -0.303 0.000 1.171 236 S CA -0.474 57.378 58.200 -0.580 0.000 0.817 236 S CB 3.006 65.551 63.200 -1.092 0.000 1.150 236 S HN 0.327 8.442 8.310 -0.325 0.000 0.478 237 T N 1.385 115.798 114.554 -0.235 0.000 2.903 237 T HA -0.034 4.228 4.350 -0.363 -0.129 0.314 237 T C -0.853 173.901 174.700 0.091 0.000 1.078 237 T CA 0.493 62.426 62.100 -0.278 0.000 1.114 237 T CB 0.603 69.086 68.868 -0.642 0.000 0.987 237 T HN 0.205 8.262 8.240 -0.305 0.000 0.548 238 W N 3.490 124.693 121.300 -0.162 0.000 2.992 238 W HA 0.293 5.013 4.660 0.101 0.000 0.342 238 W C -1.468 175.081 176.519 0.050 0.000 1.176 238 W CA -2.250 55.104 57.345 0.015 0.000 1.118 238 W CB 4.336 33.797 29.460 0.003 0.000 1.457 238 W HN -0.141 8.070 8.180 0.052 0.000 0.573 239 Y N -1.180 118.870 120.300 -0.417 0.000 2.561 239 Y HA -0.205 4.228 4.550 -0.195 0.000 0.291 239 Y C 0.204 176.033 175.900 -0.118 0.000 1.141 239 Y CA 1.146 59.065 58.100 -0.302 0.000 1.303 239 Y CB -0.499 37.684 38.460 -0.460 0.000 1.015 239 Y HN 0.131 7.877 8.280 -0.889 0.000 0.547 240 N N -0.472 117.945 118.700 -0.472 0.000 2.338 240 N HA 0.166 5.263 4.740 0.594 0.000 0.251 240 N C 0.840 176.246 175.510 -0.173 0.000 1.199 240 N CA -0.202 52.660 53.050 -0.314 0.000 0.879 240 N CB 0.214 38.443 38.487 -0.430 0.000 1.159 240 N HN 0.028 nan 8.380 nan 0.000 0.514 241 G N -1.076 107.638 108.800 -0.143 0.000 2.201 241 G HA2 -0.200 3.630 3.960 -0.216 0.000 0.212 241 G HA3 -0.200 3.555 3.960 -0.341 0.000 0.212 241 G C -1.238 173.409 174.900 -0.422 0.000 0.994 241 G CA -0.705 44.194 45.100 -0.335 0.000 0.644 241 G HN 0.231 nan 8.290 nan 0.000 0.508 242 G N -2.193 106.472 108.800 -0.225 0.000 3.247 242 G HA2 0.273 4.177 3.960 -0.094 0.000 0.163 242 G HA3 0.273 4.008 3.960 -0.375 0.000 0.163 242 G C -2.772 171.803 174.900 -0.543 0.000 1.206 242 G CA -1.154 43.751 45.100 -0.325 0.000 0.918 242 G HN -0.469 7.760 8.290 -0.101 0.000 0.625 243 Y N -2.915 117.443 120.300 0.096 0.000 2.644 243 Y HA 0.720 5.366 4.550 -0.048 -0.125 0.338 243 Y C -1.113 174.696 175.900 -0.151 0.000 1.119 243 Y CA -1.370 56.670 58.100 -0.101 0.000 1.060 243 Y CB 4.575 42.749 38.460 -0.478 0.000 1.294 243 Y HN -0.310 8.024 8.280 0.091 0.000 0.472 244 N N -1.907 116.751 118.700 -0.070 0.000 2.823 244 N HA 0.295 4.956 4.740 -0.133 0.000 0.251 244 N C -2.668 172.881 175.510 0.065 0.000 1.392 244 N CA -0.874 52.050 53.050 -0.209 0.000 0.864 244 N CB 3.658 41.536 38.487 -1.016 0.000 1.481 244 N HN 0.416 8.763 8.380 -0.055 0.000 0.508 245 T N 3.278 117.864 114.554 0.054 0.000 2.815 245 T HA 0.704 5.498 4.350 0.351 -0.234 0.289 245 T C -0.680 174.026 174.700 0.010 0.000 1.000 245 T CA -0.527 61.688 62.100 0.190 0.000 0.958 245 T CB 0.502 69.512 68.868 0.237 0.000 0.944 245 T HN 0.159 8.363 8.240 -0.059 0.000 0.442 246 I N 0.131 120.686 120.570 -0.025 0.000 3.264 246 I HA 0.578 4.711 4.170 -0.062 0.000 0.315 246 I C -2.803 173.313 176.117 -0.000 0.000 1.154 246 I CA -2.207 59.029 61.300 -0.107 0.000 0.962 246 I CB 4.178 42.025 38.000 -0.256 0.000 1.265 246 I HN -0.115 8.140 8.210 0.076 0.000 0.463 247 S N 0.538 116.227 115.700 -0.018 0.000 2.570 247 S HA 0.865 5.587 4.470 0.110 -0.185 0.286 247 S C -0.388 174.149 174.600 -0.106 0.000 1.099 247 S CA -1.115 57.092 58.200 0.012 0.000 0.913 247 S CB 2.895 66.100 63.200 0.009 0.000 1.085 247 S HN 0.115 8.393 8.310 -0.055 0.000 0.480 248 G N 2.027 110.810 108.800 -0.029 0.000 2.352 248 G HA2 0.018 3.918 3.960 -0.100 0.000 0.302 248 G HA3 0.018 3.698 3.960 -0.467 0.000 0.302 248 G C -2.015 173.009 174.900 0.206 0.000 1.370 248 G CA 0.735 45.780 45.100 -0.092 0.000 0.918 248 G HN 0.143 8.409 8.290 0.137 0.107 0.610 252 A N 2.373 125.298 122.820 0.175 0.000 1.898 252 A HA 0.003 4.614 4.320 0.124 -0.217 0.216 252 A C 1.189 178.861 177.584 0.147 0.000 1.181 252 A CA 2.609 54.725 52.037 0.132 0.000 0.620 252 A CB -0.015 19.011 19.000 0.045 0.000 0.819 252 A HN -0.153 8.000 8.150 0.152 0.088 0.442 253 T N -0.433 114.183 114.554 0.104 0.000 2.635 253 T HA -0.268 4.116 4.350 0.058 0.000 0.267 253 T C -0.670 174.065 174.700 0.059 0.000 1.040 253 T CA 6.178 68.320 62.100 0.070 0.000 1.156 253 T CB -2.228 66.677 68.868 0.061 0.000 0.863 253 T HN -0.454 7.848 8.240 0.103 0.000 0.430 254 P HA 0.262 4.672 4.420 -0.016 0.000 0.223 254 P C 2.010 179.286 177.300 -0.041 0.000 1.151 254 P CA 2.532 65.618 63.100 -0.023 0.000 0.787 254 P CB -0.269 31.387 31.700 -0.074 0.000 0.788 255 H N -0.982 118.076 119.070 -0.019 0.000 2.353 255 H HA -0.252 4.298 4.556 -0.010 0.000 0.300 255 H C 2.296 177.621 175.328 -0.004 0.000 1.090 255 H CA 4.775 60.814 56.048 -0.015 0.000 1.327 255 H CB -0.391 29.351 29.762 -0.033 0.000 1.383 255 H HN -0.570 7.778 8.280 0.148 0.021 0.508 256 V N -1.279 118.707 119.914 0.120 0.000 2.379 256 V HA -0.422 3.732 4.120 0.056 0.000 0.245 256 V C 1.478 177.581 176.094 0.014 0.000 1.044 256 V CA 3.872 66.204 62.300 0.054 0.000 1.036 256 V CB -0.749 31.095 31.823 0.034 0.000 0.664 256 V HN -0.508 7.760 8.190 0.130 0.000 0.453 257 S N 0.390 116.096 115.700 0.009 0.000 2.382 257 S HA -0.263 4.199 4.470 -0.014 0.000 0.228 257 S C 2.188 176.783 174.600 -0.009 0.000 1.027 257 S CA 3.423 61.618 58.200 -0.008 0.000 0.991 257 S CB -0.894 62.299 63.200 -0.012 0.000 0.823 257 S HN 0.074 8.395 8.310 0.018 0.000 0.469 258 G N 2.057 110.852 108.800 -0.009 0.000 2.418 258 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.217 258 G HA3 -0.230 3.725 3.960 -0.007 0.000 0.217 258 G C 0.544 175.446 174.900 0.003 0.000 1.158 258 G CA 1.902 46.999 45.100 -0.005 0.000 0.771 258 G HN -0.082 8.202 8.290 -0.010 0.000 0.545 259 L N 2.124 123.346 121.223 -0.002 0.000 2.046 259 L HA -0.307 3.998 4.340 -0.059 0.000 0.208 259 L C 1.106 177.952 176.870 -0.041 0.000 1.077 259 L CA 2.709 57.526 54.840 -0.038 0.000 0.747 259 L CB -0.366 41.667 42.059 -0.043 0.000 0.896 259 L HN -0.457 7.780 8.230 0.012 0.000 0.432 260 A N -1.725 121.072 122.820 -0.037 0.000 1.908 260 A HA -0.473 3.791 4.320 -0.094 0.000 0.218 260 A C 1.495 179.092 177.584 0.021 0.000 1.181 260 A CA 3.198 55.200 52.037 -0.059 0.000 0.627 260 A CB -0.971 17.976 19.000 -0.089 0.000 0.818 260 A HN 0.128 8.260 8.150 -0.030 0.000 0.445 261 A N -1.756 121.096 122.820 0.052 0.000 1.930 261 A HA -0.392 4.042 4.320 0.191 0.000 0.217 261 A C 1.586 179.223 177.584 0.087 0.000 1.175 261 A CA 3.122 55.219 52.037 0.101 0.000 0.627 261 A CB -0.863 18.160 19.000 0.038 0.000 0.815 261 A HN -0.265 7.820 8.150 0.024 0.080 0.443 262 K N -0.750 119.674 120.400 0.039 0.000 2.032 262 K HA -0.308 4.034 4.320 0.037 0.000 0.209 262 K C 2.401 179.019 176.600 0.030 0.000 1.048 262 K CA 3.175 59.477 56.287 0.025 0.000 0.927 262 K CB -0.036 32.456 32.500 -0.014 0.000 0.712 262 K HN -0.521 7.743 8.250 0.023 0.000 0.441 263 I N -0.510 120.068 120.570 0.013 0.000 2.179 263 I HA -0.378 3.949 4.170 -0.001 -0.158 0.242 263 I C 2.306 178.485 176.117 0.103 0.000 1.088 263 I CA 3.575 64.882 61.300 0.013 0.000 1.357 263 I CB 0.056 38.026 38.000 -0.049 0.000 1.051 263 I HN -0.215 7.992 8.210 -0.006 0.000 0.409 264 W N -0.069 121.198 121.300 -0.055 0.000 2.363 264 W HA -0.270 4.359 4.660 -0.052 0.000 0.296 264 W C 2.415 178.903 176.519 -0.051 0.000 1.212 264 W CA 1.551 58.862 57.345 -0.057 0.000 1.260 264 W CB -0.594 28.823 29.460 -0.072 0.000 1.131 264 W HN -0.061 8.240 8.180 0.201 0.000 0.530 265 A N -1.746 121.179 122.820 0.176 0.000 1.972 265 A HA -0.188 4.132 4.320 0.000 0.000 0.219 265 A C 0.924 178.535 177.584 0.046 0.000 1.169 265 A CA 2.416 54.484 52.037 0.052 0.000 0.635 265 A CB -0.631 18.385 19.000 0.027 0.000 0.810 265 A HN -0.230 8.013 8.150 0.180 0.015 0.446 266 E N -3.176 117.063 120.200 0.064 0.000 2.274 266 E HA -0.175 4.193 4.350 0.030 0.000 0.194 266 E C -0.235 176.396 176.600 0.053 0.000 0.996 266 E CA 1.010 57.436 56.400 0.043 0.000 0.840 266 E CB 0.264 29.982 29.700 0.029 0.000 0.772 266 E HN -0.220 8.168 8.360 0.077 0.018 0.491 267 N N -2.296 116.462 118.700 0.096 0.000 2.751 267 N HA 0.296 5.075 4.740 0.065 0.000 0.238 267 N C -2.438 173.181 175.510 0.182 0.000 1.351 267 N CA -2.394 50.718 53.050 0.103 0.000 0.751 267 N CB -0.018 38.522 38.487 0.088 0.000 1.342 267 N HN -0.673 7.639 8.380 0.135 0.149 0.540 268 P HA 0.149 4.577 4.420 -0.107 -0.072 0.242 268 P C -0.296 177.009 177.300 0.008 0.000 1.197 268 P CA 0.614 63.679 63.100 -0.059 0.000 0.765 268 P CB 0.136 31.718 31.700 -0.197 0.000 0.936 269 S N -2.847 112.899 115.700 0.077 0.000 2.522 269 S HA -0.109 4.389 4.470 0.046 0.000 0.227 269 S C 0.652 175.344 174.600 0.152 0.000 0.986 269 S CA 0.588 58.835 58.200 0.079 0.000 0.929 269 S CB -0.114 63.114 63.200 0.047 0.000 0.769 269 S HN -0.495 7.996 8.310 0.075 -0.135 0.529 270 L N 3.493 124.866 121.223 0.249 0.000 2.525 270 L HA -0.066 4.509 4.340 0.115 -0.166 0.278 270 L C 1.408 178.457 176.870 0.297 0.000 1.218 270 L CA 0.376 55.342 54.840 0.210 0.000 0.878 270 L CB 0.445 42.567 42.059 0.106 0.000 1.127 270 L HN -0.725 7.634 8.230 0.278 0.038 0.492 271 S N 4.381 120.160 115.700 0.132 0.000 2.596 271 S HA -0.010 4.566 4.470 0.177 0.000 0.260 271 S C 1.071 175.664 174.600 -0.012 0.000 1.336 271 S CA 0.025 58.289 58.200 0.108 0.000 0.993 271 S CB 1.589 64.812 63.200 0.038 0.000 0.923 271 S HN 0.131 8.812 8.310 0.083 -0.321 0.567 272 N N 0.990 119.653 118.700 -0.062 0.000 2.149 272 N HA -0.436 3.973 4.740 -0.551 0.000 0.188 272 N C 1.739 177.120 175.510 -0.214 0.000 1.019 272 N CA 3.433 56.294 53.050 -0.316 0.000 0.857 272 N CB -1.401 36.824 38.487 -0.436 0.000 0.997 272 N HN 0.549 8.927 8.380 -0.004 0.000 0.426 273 T N 2.279 116.801 114.554 -0.055 0.000 2.746 273 T HA -0.330 4.112 4.350 0.152 0.000 0.267 273 T C 2.212 176.902 174.700 -0.016 0.000 1.039 273 T CA 4.447 66.588 62.100 0.067 0.000 1.142 273 T CB -0.626 68.317 68.868 0.125 0.000 0.866 273 T HN -0.226 7.967 8.240 -0.063 0.009 0.444 274 Q N 1.355 121.126 119.800 -0.048 0.000 2.119 274 Q HA -0.261 4.060 4.340 -0.032 0.000 0.201 274 Q C 2.439 178.361 176.000 -0.130 0.000 0.972 274 Q CA 3.041 58.809 55.803 -0.058 0.000 0.847 274 Q CB -0.163 28.557 28.738 -0.030 0.000 0.903 274 Q HN -0.420 7.826 8.270 -0.040 0.000 0.433 275 L N 0.755 121.818 121.223 -0.266 0.000 2.017 275 L HA -0.249 3.890 4.340 -0.334 0.000 0.208 275 L C 1.271 177.981 176.870 -0.268 0.000 1.073 275 L CA 2.868 57.466 54.840 -0.403 0.000 0.745 275 L CB -0.349 41.174 42.059 -0.894 0.000 0.894 275 L HN 0.105 8.159 8.230 -0.292 0.000 0.432 276 R N -1.600 118.774 120.500 -0.211 0.000 2.091 276 R HA -0.492 3.764 4.340 -0.141 0.000 0.238 276 R C 2.094 178.354 176.300 -0.066 0.000 1.136 276 R CA 3.841 59.869 56.100 -0.119 0.000 0.959 276 R CB -0.322 29.953 30.300 -0.042 0.000 0.856 276 R HN 0.026 8.161 8.270 -0.225 0.000 0.437 277 S N -1.412 114.264 115.700 -0.039 0.000 2.368 277 S HA -0.329 4.166 4.470 0.041 0.000 0.225 277 S C 1.962 176.556 174.600 -0.010 0.000 1.030 277 S CA 3.430 61.632 58.200 0.003 0.000 0.999 277 S CB -0.189 63.014 63.200 0.006 0.000 0.844 277 S HN -0.157 8.124 8.310 -0.048 0.000 0.459 278 N N 2.120 120.790 118.700 -0.051 0.000 2.043 278 N HA -0.362 4.355 4.740 -0.038 0.000 0.193 278 N C 2.243 177.726 175.510 -0.045 0.000 1.037 278 N CA 3.924 56.942 53.050 -0.054 0.000 0.851 278 N CB 0.064 38.499 38.487 -0.086 0.000 1.027 278 N HN -0.474 7.863 8.380 -0.072 0.000 0.422 279 L N -0.546 120.637 121.223 -0.067 0.000 2.042 279 L HA -0.514 3.792 4.340 -0.057 0.000 0.210 279 L C 1.960 178.830 176.870 -0.000 0.000 1.076 279 L CA 3.691 58.498 54.840 -0.055 0.000 0.749 279 L CB -0.273 41.733 42.059 -0.087 0.000 0.893 279 L HN -0.178 7.996 8.230 -0.093 0.000 0.432 280 Q N -1.645 118.172 119.800 0.029 0.000 2.084 280 Q HA -0.438 3.991 4.340 0.148 0.000 0.202 280 Q C 2.740 178.876 176.000 0.228 0.000 0.978 280 Q CA 3.526 59.433 55.803 0.175 0.000 0.844 280 Q CB -0.181 28.719 28.738 0.269 0.000 0.898 280 Q HN 0.009 8.281 8.270 0.003 0.000 0.426 281 E N -0.904 119.354 120.200 0.097 0.000 2.106 281 E HA -0.272 4.092 4.350 0.023 0.000 0.192 281 E C 2.663 179.275 176.600 0.019 0.000 0.984 281 E CA 2.489 58.909 56.400 0.034 0.000 0.806 281 E CB -0.584 29.112 29.700 -0.007 0.000 0.750 281 E HN -0.271 8.129 8.360 0.067 0.000 0.458 282 R N -1.519 118.986 120.500 0.008 0.000 2.083 282 R HA -0.295 4.024 4.340 -0.034 0.000 0.237 282 R C 2.208 178.520 176.300 0.020 0.000 1.137 282 R CA 2.726 58.815 56.100 -0.017 0.000 0.951 282 R CB -0.271 29.999 30.300 -0.050 0.000 0.851 282 R HN -0.311 7.961 8.270 0.003 0.000 0.434 283 A N -2.284 120.585 122.820 0.082 0.000 1.877 283 A HA -0.257 4.098 4.320 0.130 0.044 0.216 283 A C 1.929 179.635 177.584 0.203 0.000 1.186 283 A CA 2.953 55.085 52.037 0.158 0.000 0.620 283 A CB -0.589 18.535 19.000 0.206 0.000 0.822 283 A HN -0.212 7.988 8.150 0.082 0.000 0.443 284 K N -1.429 119.098 120.400 0.211 0.000 2.152 284 K HA -0.281 4.403 4.320 0.288 -0.192 0.206 284 K C 1.286 177.917 176.600 0.050 0.000 1.048 284 K CA 2.430 58.798 56.287 0.134 0.000 0.933 284 K CB -0.046 32.371 32.500 -0.138 0.000 0.721 284 K HN -0.125 8.255 8.250 0.217 0.000 0.447 285 S N -3.433 112.280 115.700 0.021 0.000 2.555 285 S HA -0.031 4.430 4.470 -0.015 0.000 0.230 285 S C 0.403 175.019 174.600 0.027 0.000 0.978 285 S CA 1.318 59.518 58.200 0.000 0.000 0.934 285 S CB 0.317 63.502 63.200 -0.024 0.000 0.766 285 S HN -0.597 7.704 8.310 0.024 0.024 0.533 286 V N 3.033 122.987 119.914 0.066 0.000 2.315 286 V HA 0.188 4.356 4.120 0.080 0.000 0.265 286 V C -2.135 174.055 176.094 0.159 0.000 1.019 286 V CA -2.013 60.345 62.300 0.097 0.000 0.824 286 V CB 0.172 32.035 31.823 0.068 0.000 1.072 286 V HN -0.491 7.573 8.190 0.085 0.177 0.448 287 D N 4.167 124.646 120.400 0.132 0.000 2.417 287 D HA -0.089 4.650 4.640 0.164 0.000 0.250 287 D C -0.681 175.696 176.300 0.128 0.000 1.166 287 D CA 0.198 54.281 54.000 0.137 0.000 0.881 287 D CB 0.505 41.370 40.800 0.109 0.000 1.164 287 D HN 0.008 8.441 8.370 0.105 0.000 0.467 288 I N 4.208 124.852 120.570 0.123 0.000 2.365 288 I HA -0.088 4.146 4.170 0.107 0.000 0.291 288 I C -0.701 175.434 176.117 0.030 0.000 1.004 288 I CA -1.389 59.964 61.300 0.089 0.000 1.311 288 I CB -0.129 37.917 38.000 0.076 0.000 1.401 288 I HN 0.098 8.387 8.210 0.131 0.000 0.491 289 K N 3.327 123.729 120.400 0.004 0.000 2.477 289 K HA 0.299 4.601 4.320 -0.031 0.000 0.208 289 K C -0.452 176.105 176.600 -0.072 0.000 1.117 289 K CA -0.699 55.571 56.287 -0.029 0.000 1.039 289 K CB 2.290 34.780 32.500 -0.018 0.000 0.937 289 K HN 0.437 8.695 8.250 0.013 0.000 0.570 290 G N -1.471 107.279 108.800 -0.084 0.000 2.388 290 G HA2 0.317 4.202 3.960 -0.125 0.000 0.330 290 G HA3 0.317 4.328 3.960 -0.154 -0.143 0.330 290 G C -1.271 173.514 174.900 -0.190 0.000 1.142 290 G CA -1.199 43.819 45.100 -0.137 0.000 0.908 290 G HN -0.833 7.423 8.290 -0.057 0.000 0.473 291 G N 3.328 111.951 108.800 -0.294 0.000 2.619 291 G HA2 -0.297 3.476 3.960 -0.312 0.000 0.686 291 G HA3 -0.297 3.337 3.960 -0.543 0.000 0.686 291 G C -1.369 173.280 174.900 -0.420 0.000 1.256 291 G CA -0.650 44.208 45.100 -0.405 0.000 0.826 291 G HN 0.084 8.741 8.290 -0.311 -0.554 0.619 292 Y N 1.708 121.818 120.300 -0.315 0.000 2.632 292 Y HA -0.211 4.189 4.550 -0.250 0.000 0.329 292 Y C 1.270 176.999 175.900 -0.284 0.000 1.174 292 Y CA 1.896 59.811 58.100 -0.308 0.000 1.469 292 Y CB -0.209 37.944 38.460 -0.511 0.000 1.242 292 Y HN 0.411 8.350 8.280 -0.569 0.000 0.540 293 G N 2.801 111.540 108.800 -0.102 0.000 2.225 293 G HA2 -0.483 2.969 3.960 -0.847 0.000 0.254 293 G HA3 -0.483 3.402 3.960 -0.126 0.000 0.254 293 G C -0.845 173.844 174.900 -0.351 0.000 0.988 293 G CA -0.466 44.411 45.100 -0.372 0.000 0.625 293 G HN 0.451 8.740 8.290 -0.001 0.000 0.527 294 A N 0.913 123.588 122.820 -0.241 0.000 2.407 294 A HA -0.059 4.461 4.320 -0.180 -0.308 0.248 294 A C -1.729 175.800 177.584 -0.091 0.000 1.082 294 A CA 0.319 52.256 52.037 -0.167 0.000 0.785 294 A CB 0.406 19.318 19.000 -0.147 0.000 1.020 294 A HN -0.505 7.424 8.150 -0.228 0.085 0.489 295 A N 2.670 125.458 122.820 -0.054 0.000 2.602 295 A HA 0.319 4.628 4.320 -0.019 0.000 0.290 295 A C -1.892 175.689 177.584 -0.005 0.000 1.114 295 A CA -1.329 50.697 52.037 -0.019 0.000 0.683 295 A CB 2.488 21.491 19.000 0.005 0.000 1.281 295 A HN -0.164 8.224 8.150 -0.054 -0.270 0.416 296 I N 1.243 121.817 120.570 0.006 0.000 2.752 296 I HA -0.261 4.069 4.170 0.028 -0.143 0.289 296 I C 1.072 177.204 176.117 0.025 0.000 1.197 296 I CA 0.602 61.915 61.300 0.022 0.000 1.432 296 I CB -0.734 37.279 38.000 0.022 0.000 1.359 296 I HN 0.149 8.361 8.210 0.004 0.000 0.571 297 G N 7.186 116.019 108.800 0.056 0.000 2.660 297 G HA2 -0.320 3.658 3.960 0.029 0.000 0.215 297 G HA3 -0.320 3.761 3.960 0.200 0.000 0.215 297 G C -1.945 172.897 174.900 -0.096 0.000 1.345 297 G CA -0.940 44.196 45.100 0.059 0.000 0.877 297 G HN 0.010 8.834 8.290 0.074 -0.490 0.549 298 D N 3.424 123.528 120.400 -0.493 0.000 2.417 298 D HA -0.069 4.546 4.640 -0.356 -0.189 0.250 298 D C -0.438 175.742 176.300 -0.199 0.000 1.166 298 D CA 0.301 53.963 54.000 -0.564 0.000 0.881 298 D CB 0.600 40.650 40.800 -1.250 0.000 1.164 298 D HN -0.005 7.950 8.370 -0.691 0.000 0.467 299 D N 4.078 124.447 120.400 -0.052 0.000 2.559 299 D HA 0.157 4.828 4.640 0.053 0.000 0.250 299 D C -0.284 176.057 176.300 0.068 0.000 1.135 299 D CA -1.257 52.754 54.000 0.018 0.000 0.955 299 D CB 2.753 43.539 40.800 -0.023 0.000 1.442 299 D HN -0.231 8.126 8.370 -0.022 0.000 0.471 300 Y N -5.008 115.293 120.300 0.002 0.000 2.529 300 Y HA -0.020 4.537 4.550 0.012 0.000 0.290 300 Y C -0.446 175.451 175.900 -0.006 0.000 1.177 300 Y CA 0.876 58.977 58.100 0.003 0.000 1.305 300 Y CB -0.534 37.926 38.460 -0.001 0.000 1.047 300 Y HN 0.488 8.919 8.280 0.252 0.000 0.522 301 A N 0.648 123.250 122.820 -0.363 0.000 1.924 301 A HA -0.026 4.137 4.320 -0.262 0.000 0.211 301 A C 0.365 177.872 177.584 -0.128 0.000 1.198 301 A CA 1.912 53.776 52.037 -0.288 0.000 0.657 301 A CB 0.504 19.292 19.000 -0.353 0.000 0.852 301 A HN -0.482 7.603 8.150 -0.373 -0.159 0.454 302 S N -4.957 110.693 115.700 -0.084 0.000 2.666 302 S HA 0.415 4.857 4.470 -0.046 0.000 0.239 302 S C 0.705 175.323 174.600 0.029 0.000 1.031 302 S CA -0.487 57.693 58.200 -0.033 0.000 1.015 302 S CB 2.464 65.649 63.200 -0.025 0.000 0.981 302 S HN -0.335 8.221 8.310 -0.090 -0.300 0.547 303 G N 2.683 111.514 108.800 0.052 0.000 2.574 303 G HA2 -0.456 3.618 3.960 0.096 0.000 0.286 303 G HA3 -0.456 3.739 3.960 0.161 -0.139 0.286 303 G C 0.393 175.459 174.900 0.277 0.000 1.212 303 G CA 1.214 46.400 45.100 0.142 0.000 0.979 303 G HN -0.244 8.063 8.290 0.028 0.000 0.557 304 F N 4.354 124.328 119.950 0.041 0.000 2.293 304 F HA -0.138 4.450 4.527 0.101 0.000 0.300 304 F C 0.622 176.530 175.800 0.181 0.000 1.086 304 F CA -0.137 57.953 58.000 0.149 0.000 1.375 304 F CB 0.321 39.464 39.000 0.239 0.000 1.045 304 F HN -0.161 8.252 8.300 0.361 0.104 0.516 305 G N -4.432 104.554 108.800 0.310 0.000 2.302 305 G HA2 -0.117 4.302 3.960 0.258 0.000 0.264 305 G HA3 -0.117 3.968 3.960 0.208 0.000 0.264 305 G C -2.985 172.070 174.900 0.259 0.000 1.335 305 G CA -0.404 44.845 45.100 0.248 0.000 0.982 305 G HN -0.928 7.491 8.290 0.269 0.032 0.473 306 F N 3.153 123.143 119.950 0.066 0.000 2.308 306 F HA 0.587 5.296 4.527 -0.005 -0.185 0.370 306 F C -1.692 174.113 175.800 0.009 0.000 1.100 306 F CA -3.001 55.010 58.000 0.017 0.000 1.108 306 F CB 1.955 40.965 39.000 0.015 0.000 1.293 306 F HN -0.218 8.284 8.300 0.336 0.000 0.478 307 A N 8.200 131.118 122.820 0.163 0.000 2.450 307 A HA -0.028 4.252 4.320 -0.068 0.000 0.255 307 A C -1.222 176.212 177.584 -0.250 0.000 1.096 307 A CA 0.181 52.192 52.037 -0.043 0.000 0.778 307 A CB 0.996 19.996 19.000 0.001 0.000 1.031 307 A HN 0.248 8.552 8.150 0.257 0.000 0.494 308 R N 0.443 120.746 120.500 -0.328 0.000 2.888 308 R HA 0.337 4.521 4.340 -0.407 -0.089 0.264 308 R C 0.133 176.270 176.300 -0.271 0.000 1.045 308 R CA -2.069 53.792 56.100 -0.398 0.000 0.962 308 R CB 3.240 33.225 30.300 -0.524 0.000 1.210 308 R HN -0.307 7.813 8.270 -0.249 0.000 0.479 309 V N -1.248 118.482 119.914 -0.307 0.000 2.407 309 V HA -0.409 3.538 4.120 -0.288 0.000 0.248 309 V C -1.051 174.927 176.094 -0.192 0.000 1.055 309 V CA 2.866 64.981 62.300 -0.307 0.000 1.049 309 V CB 0.180 31.684 31.823 -0.532 0.000 0.662 309 V HN 0.251 8.239 8.190 -0.335 0.000 0.455 310 Q N 0.000 119.705 119.800 -0.159 0.000 2.315 310 Q HA 0.000 4.282 4.340 -0.096 0.000 0.214 310 Q CA 0.000 55.742 55.803 -0.101 0.000 1.022 310 Q CB 0.000 28.698 28.738 -0.067 0.000 1.108 310 Q HN 0.000 8.164 8.270 -0.177 0.000 0.481