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 1fy5_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTSASAG DFPFIVSISR XNGGPWCGGS LLNANTVLTA AHCAQSGFQR DATA SEQUENCE AXXGSLSRTS GXXXGITSSL SSVRVHPSYS GXXNNNDLAI LKLSTSIPSG DATA SEQUENCE GNIGYARLAA SGSDPVAGSS ATVAGWGATS EGGSSTPVNL LKVTVPIVSR DATA SEQUENCE ATCRAQYTSA ITNQMFCAVS SGKDSCQGDS GGPIVSSNTX XXXLIGAVSW DATA SEQUENCE GNXGCRPNYS GVYASVGALR SFIDTYA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 16 I C 0.000 176.111 176.117 -0.010 0.000 1.063 16 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 16 I CB 0.000 37.967 38.000 -0.055 0.000 1.214 17 V N 5.186 125.099 119.914 -0.001 0.000 2.427 17 V HA 0.219 4.341 4.120 0.003 0.000 0.286 17 V C 0.725 176.822 176.094 0.005 0.000 1.034 17 V CA -1.832 60.470 62.300 0.004 0.000 0.893 17 V CB 0.705 32.532 31.823 0.008 0.000 0.982 17 V HN 0.701 8.892 8.190 0.002 0.000 0.452 18 G N 7.247 116.049 108.800 0.004 0.000 2.147 18 G HA2 -0.379 3.585 3.960 0.005 0.000 0.244 18 G HA3 -0.379 3.762 3.960 0.008 -0.176 0.244 18 G C -0.838 174.063 174.900 0.003 0.000 1.005 18 G CA 0.399 45.502 45.100 0.005 0.000 0.713 18 G HN 0.760 9.052 8.290 0.004 0.000 0.515 19 G N -2.347 106.451 108.800 -0.003 0.000 2.568 19 G HA2 0.366 4.352 3.960 -0.003 0.000 0.293 19 G HA3 0.366 4.373 3.960 -0.016 -0.057 0.293 19 G C -1.746 173.150 174.900 -0.007 0.000 1.347 19 G CA -0.888 44.208 45.100 -0.008 0.000 1.039 19 G HN -0.465 7.788 8.290 -0.005 0.034 0.523 20 T N -1.406 113.143 114.554 -0.008 0.000 2.883 20 T HA 0.280 4.627 4.350 -0.006 0.000 0.296 20 T C -0.995 173.697 174.700 -0.013 0.000 1.117 20 T CA -1.841 60.256 62.100 -0.006 0.000 1.006 20 T CB 1.287 70.155 68.868 0.000 0.000 1.191 20 T HN 0.245 8.479 8.240 -0.009 0.000 0.508 21 S N 3.689 119.381 115.700 -0.012 0.000 2.537 21 S HA -0.149 4.303 4.470 -0.030 0.000 0.286 21 S C -0.460 174.134 174.600 -0.010 0.000 1.299 21 S CA 1.153 59.343 58.200 -0.017 0.000 1.067 21 S CB 0.423 63.618 63.200 -0.008 0.000 0.864 21 S HN 0.166 8.472 8.310 -0.008 0.000 0.494 22 A N 6.242 129.054 122.820 -0.013 0.000 2.386 22 A HA -0.074 4.463 4.320 0.031 -0.198 0.248 22 A C -0.365 177.213 177.584 -0.010 0.000 1.082 22 A CA -0.062 51.984 52.037 0.016 0.000 0.789 22 A CB 1.005 20.041 19.000 0.061 0.000 1.025 22 A HN -0.067 8.058 8.150 -0.041 0.000 0.490 23 S N 2.093 117.772 115.700 -0.035 0.000 2.617 23 S HA 0.123 4.579 4.470 -0.023 0.000 0.283 23 S C -0.459 174.116 174.600 -0.043 0.000 1.189 23 S CA -0.381 57.795 58.200 -0.040 0.000 1.036 23 S CB 1.946 65.112 63.200 -0.056 0.000 1.014 23 S HN 0.311 9.285 8.310 -0.054 -0.696 0.522 24 A N 2.213 125.018 122.820 -0.024 0.000 2.566 24 A HA -0.208 4.110 4.320 -0.003 0.000 0.245 24 A C 0.747 178.303 177.584 -0.046 0.000 1.056 24 A CA 1.970 53.996 52.037 -0.018 0.000 0.757 24 A CB -0.606 18.391 19.000 -0.006 0.000 0.979 24 A HN 0.382 8.522 8.150 -0.017 0.000 0.508 25 G N 4.384 113.154 108.800 -0.051 0.000 2.157 25 G HA2 -0.323 3.603 3.960 -0.057 0.000 0.248 25 G HA3 -0.323 3.594 3.960 -0.072 0.000 0.248 25 G C 0.145 174.945 174.900 -0.166 0.000 0.979 25 G CA 0.449 45.502 45.100 -0.079 0.000 0.650 25 G HN 0.385 8.658 8.290 -0.028 0.000 0.529 26 D N 0.338 120.580 120.400 -0.263 0.000 2.144 26 D HA -0.160 4.168 4.640 -0.520 0.000 0.199 26 D C -0.275 175.450 176.300 -0.959 0.000 0.984 26 D CA 2.507 56.139 54.000 -0.614 0.000 0.834 26 D CB 0.674 41.034 40.800 -0.733 0.000 0.955 26 D HN -0.092 8.163 8.370 -0.192 0.000 0.465 27 F N -6.518 113.328 119.950 -0.173 0.000 2.708 27 F HA 0.404 4.725 4.527 -0.343 0.000 0.344 27 F C -2.055 173.500 175.800 -0.407 0.000 1.447 27 F CA -2.870 54.908 58.000 -0.369 0.000 1.140 27 F CB -0.273 38.424 39.000 -0.505 0.000 1.657 27 F HN -0.382 7.778 8.300 -0.233 0.000 0.598 28 P HA -0.067 4.443 4.420 -0.004 -0.092 0.225 28 P C 0.453 177.791 177.300 0.064 0.000 1.148 28 P CA 1.570 64.670 63.100 0.001 0.000 0.779 28 P CB -0.041 31.678 31.700 0.032 0.000 0.780 29 F N -6.645 113.394 119.950 0.148 0.000 2.797 29 F HA 0.417 5.219 4.527 0.155 -0.182 0.302 29 F C -0.464 175.448 175.800 0.187 0.000 1.130 29 F CA -2.323 55.777 58.000 0.167 0.000 1.387 29 F CB -0.582 38.523 39.000 0.176 0.000 1.107 29 F HN -0.465 7.649 8.300 -0.148 0.098 0.577 30 I N 1.909 122.351 120.570 -0.214 0.000 2.634 30 I HA 0.212 4.551 4.170 0.040 -0.145 0.284 30 I C -0.901 175.333 176.117 0.195 0.000 1.124 30 I CA 0.010 61.295 61.300 -0.025 0.000 1.417 30 I CB 1.795 39.721 38.000 -0.123 0.000 1.396 30 I HN -0.126 7.716 8.210 -0.333 0.168 0.571 31 V N 3.538 123.597 119.914 0.242 0.000 2.823 31 V HA 0.893 5.265 4.120 0.185 -0.142 0.312 31 V C -1.311 174.890 176.094 0.178 0.000 1.072 31 V CA -3.221 59.195 62.300 0.194 0.000 0.937 31 V CB 3.285 35.188 31.823 0.133 0.000 1.013 31 V HN 0.242 8.574 8.190 0.237 0.000 0.430 32 S N 2.202 117.817 115.700 -0.142 0.000 2.554 32 S HA 0.333 4.648 4.470 -0.258 0.000 0.278 32 S C -0.852 173.657 174.600 -0.152 0.000 1.242 32 S CA -1.418 56.520 58.200 -0.435 0.000 1.051 32 S CB 1.582 64.019 63.200 -1.271 0.000 0.986 32 S HN 0.018 8.233 8.310 -0.159 0.000 0.502 33 I N 3.318 123.865 120.570 -0.038 0.000 2.439 33 I HA 0.605 5.012 4.170 0.072 -0.194 0.285 33 I C -0.710 175.507 176.117 0.167 0.000 1.021 33 I CA -0.979 60.379 61.300 0.098 0.000 1.091 33 I CB 2.166 40.273 38.000 0.178 0.000 1.242 33 I HN 0.361 8.551 8.210 -0.034 0.000 0.439 34 S N 6.676 122.442 115.700 0.110 0.000 2.654 34 S HA 0.823 5.488 4.470 0.136 -0.112 0.283 34 S C -1.218 173.410 174.600 0.047 0.000 1.180 34 S CA -1.128 57.125 58.200 0.087 0.000 1.021 34 S CB 2.476 65.670 63.200 -0.010 0.000 1.018 34 S HN 0.466 8.819 8.310 0.071 0.000 0.532 38 G N -0.493 108.231 108.800 -0.127 0.000 2.179 38 G HA2 -0.291 3.627 3.960 -0.070 0.000 0.260 38 G HA3 -0.291 3.627 3.960 -0.070 0.000 0.260 38 G C -0.764 174.106 174.900 -0.049 0.000 0.977 38 G CA 0.727 45.781 45.100 -0.077 0.000 0.641 38 G HN 0.324 8.494 8.290 -0.148 0.031 0.533 39 G N -0.230 108.548 108.800 -0.038 0.000 2.511 39 G HA2 0.518 4.483 3.960 0.007 0.000 0.318 39 G HA3 0.518 4.492 3.960 0.023 0.000 0.318 39 G C -3.019 171.922 174.900 0.068 0.000 1.210 39 G CA -2.546 42.562 45.100 0.012 0.000 0.969 39 G HN -0.548 7.637 8.290 -0.065 0.065 0.484 40 P HA -0.164 4.303 4.420 0.077 0.000 0.269 40 P C -1.925 175.552 177.300 0.295 0.000 1.209 40 P CA 0.381 63.555 63.100 0.123 0.000 0.776 40 P CB 1.100 32.852 31.700 0.087 0.000 0.876 41 W N 1.852 123.167 121.300 0.024 0.000 5.276 41 W HA 0.184 4.882 4.660 0.063 0.000 0.176 41 W C -1.662 174.906 176.519 0.082 0.000 1.298 41 W CA 0.491 57.875 57.345 0.066 0.000 2.054 41 W CB 2.034 31.554 29.460 0.099 0.000 0.717 41 W HN -0.042 8.286 8.180 0.248 0.000 1.057 42 C N -6.234 113.149 119.300 0.139 0.000 3.276 42 C HA 0.883 5.492 4.460 -0.040 -0.173 0.370 42 C C -1.714 173.346 174.990 0.117 0.000 1.624 42 C CA -1.986 57.038 59.018 0.011 0.000 1.179 42 C CB 2.544 30.218 27.740 -0.111 0.000 1.909 42 C HN -0.021 8.367 8.230 0.264 0.000 0.434 43 G N -1.916 106.955 108.800 0.119 0.000 2.735 43 G HA2 0.858 5.074 3.960 0.226 0.000 0.301 43 G HA3 0.858 4.961 3.960 0.238 0.000 0.301 43 G C -2.528 172.449 174.900 0.128 0.000 1.279 43 G CA -1.781 43.433 45.100 0.191 0.000 1.019 43 G HN 0.399 8.730 8.290 0.067 0.000 0.497 44 G N -3.749 105.149 108.800 0.162 0.000 2.548 44 G HA2 0.537 4.835 3.960 0.126 0.000 0.301 44 G HA3 0.537 4.569 3.960 0.119 0.000 0.301 44 G C -2.873 172.156 174.900 0.215 0.000 1.349 44 G CA 0.248 45.436 45.100 0.145 0.000 0.792 44 G HN -0.242 8.173 8.290 0.208 0.000 0.481 45 S N -0.602 115.241 115.700 0.239 0.000 2.594 45 S HA 0.555 5.482 4.470 0.535 -0.136 0.296 45 S C -1.525 173.247 174.600 0.287 0.000 1.124 45 S CA -0.556 57.881 58.200 0.394 0.000 1.011 45 S CB 3.297 66.727 63.200 0.383 0.000 1.016 45 S HN 0.242 8.662 8.310 0.182 0.000 0.485 46 L N 6.469 127.911 121.223 0.364 0.000 2.369 46 L HA 0.164 4.750 4.340 0.187 -0.134 0.279 46 L C -0.857 176.144 176.870 0.218 0.000 1.108 46 L CA -0.303 54.703 54.840 0.277 0.000 0.852 46 L CB 0.421 42.699 42.059 0.365 0.000 1.169 46 L HN 0.656 9.179 8.230 0.488 0.000 0.452 47 L N 5.949 127.197 121.223 0.043 0.000 2.298 47 L HA -0.046 4.274 4.340 -0.033 0.000 0.209 47 L C 0.039 176.735 176.870 -0.290 0.000 1.084 47 L CA 1.198 55.998 54.840 -0.067 0.000 0.816 47 L CB 0.474 42.485 42.059 -0.079 0.000 0.967 47 L HN 0.513 8.759 8.230 0.026 0.000 0.460 48 N N -5.648 112.743 118.700 -0.514 0.000 3.339 48 N HA 0.052 3.564 4.740 -2.047 0.000 0.275 48 N C -0.876 174.210 175.510 -0.706 0.000 1.514 48 N CA -0.447 51.986 53.050 -1.029 0.000 0.879 48 N CB 0.939 39.117 38.487 -0.516 0.000 1.557 48 N HN -0.909 7.284 8.380 -0.310 0.000 0.524 49 A N -3.158 119.363 122.820 -0.498 0.000 2.019 49 A HA -0.057 4.528 4.320 0.126 -0.190 0.219 49 A C 0.399 177.971 177.584 -0.020 0.000 1.164 49 A CA 2.437 54.442 52.037 -0.053 0.000 0.644 49 A CB 0.082 19.111 19.000 0.048 0.000 0.805 49 A HN 0.446 8.287 8.150 -0.515 0.000 0.449 50 N N -6.919 111.739 118.700 -0.070 0.000 2.238 50 N HA 0.159 4.896 4.740 -0.004 0.000 0.235 50 N C -1.787 173.701 175.510 -0.036 0.000 1.209 50 N CA -1.233 51.799 53.050 -0.030 0.000 0.879 50 N CB 1.479 39.953 38.487 -0.022 0.000 1.136 50 N HN -0.425 8.078 8.380 -0.122 -0.196 0.517 51 T N 2.465 116.987 114.554 -0.053 0.000 2.971 51 T HA 0.647 5.188 4.350 -0.034 -0.211 0.304 51 T C -2.173 172.519 174.700 -0.014 0.000 1.038 51 T CA 0.125 62.198 62.100 -0.045 0.000 1.007 51 T CB 3.391 72.213 68.868 -0.076 0.000 1.055 51 T HN -0.656 7.542 8.240 -0.070 0.000 0.451 52 V N 5.964 125.879 119.914 0.003 0.000 2.604 52 V HA 0.646 4.980 4.120 0.060 -0.178 0.305 52 V C -2.473 173.636 176.094 0.024 0.000 1.043 52 V CA -1.938 60.383 62.300 0.035 0.000 0.888 52 V CB 3.934 35.783 31.823 0.044 0.000 0.995 52 V HN 0.722 8.906 8.190 -0.009 0.000 0.429 53 L N 7.285 128.540 121.223 0.053 0.000 2.275 53 L HA 0.811 5.349 4.340 0.051 -0.167 0.288 53 L C -1.879 175.031 176.870 0.066 0.000 1.046 53 L CA -1.389 53.488 54.840 0.061 0.000 0.805 53 L CB 2.219 44.323 42.059 0.075 0.000 1.193 53 L HN 0.503 8.779 8.230 0.075 0.000 0.426 54 T N 5.504 120.080 114.554 0.036 0.000 2.696 54 T HA 0.522 5.061 4.350 0.032 -0.170 0.291 54 T C -1.960 172.723 174.700 -0.028 0.000 1.095 54 T CA -3.130 58.972 62.100 0.002 0.000 1.026 54 T CB 2.239 71.082 68.868 -0.041 0.000 1.390 54 T HN 0.271 8.531 8.240 0.033 0.000 0.513 55 A N -0.037 122.724 122.820 -0.099 0.000 2.388 55 A HA 0.343 4.825 4.320 -0.068 -0.204 0.257 55 A C 0.367 177.796 177.584 -0.258 0.000 1.095 55 A CA -0.638 51.307 52.037 -0.155 0.000 0.791 55 A CB 1.017 19.865 19.000 -0.253 0.000 1.029 55 A HN 0.433 8.517 8.150 -0.111 0.000 0.489 56 A N 4.314 126.952 122.820 -0.302 0.000 1.940 56 A HA -0.339 3.734 4.320 -0.412 0.000 0.219 56 A C 1.073 178.368 177.584 -0.481 0.000 1.176 56 A CA 3.221 54.927 52.037 -0.552 0.000 0.631 56 A CB -0.218 18.082 19.000 -1.165 0.000 0.814 56 A HN 0.377 8.382 8.150 -0.232 0.006 0.446 57 H N -5.349 113.557 119.070 -0.273 0.000 2.521 57 H HA -0.111 4.463 4.556 0.030 0.000 0.286 57 H C -0.738 174.629 175.328 0.065 0.000 1.034 57 H CA 0.874 56.913 56.048 -0.015 0.000 1.278 57 H CB -1.238 28.584 29.762 0.100 0.000 1.386 57 H HN -0.211 8.250 8.280 -0.161 -0.278 0.567 58 C N 2.078 121.149 119.300 -0.381 0.000 2.573 58 C HA -0.059 4.428 4.460 0.045 0.000 0.369 58 C C 0.236 175.369 174.990 0.238 0.000 1.205 58 C CA -0.341 58.648 59.018 -0.048 0.000 1.535 58 C CB -3.244 24.397 27.740 -0.166 0.000 2.159 58 C HN -0.621 7.132 8.230 -0.550 0.148 0.558 59 A N 6.596 129.435 122.820 0.032 0.000 2.512 59 A HA -0.298 4.045 4.320 0.037 0.000 0.276 59 A C 0.817 178.459 177.584 0.097 0.000 0.917 59 A CA 1.134 53.183 52.037 0.021 0.000 1.061 59 A CB 0.424 19.391 19.000 -0.054 0.000 0.761 59 A HN 0.449 8.585 8.150 -0.023 0.000 0.396 60 Q N 3.415 123.302 119.800 0.145 0.000 2.224 60 Q HA -0.268 4.336 4.340 0.440 0.000 0.203 60 Q C 1.635 177.750 176.000 0.191 0.000 0.970 60 Q CA 2.319 58.273 55.803 0.251 0.000 0.865 60 Q CB -0.236 28.578 28.738 0.128 0.000 0.922 60 Q HN 0.657 8.984 8.270 0.095 0.000 0.445 61 S N -1.281 114.445 115.700 0.043 0.000 2.469 61 S HA -0.183 4.296 4.470 0.015 0.000 0.238 61 S C 1.127 175.668 174.600 -0.097 0.000 0.998 61 S CA 1.833 60.026 58.200 -0.013 0.000 0.957 61 S CB -0.382 62.797 63.200 -0.034 0.000 0.764 61 S HN 0.050 8.344 8.310 0.026 0.032 0.514 62 G N -0.600 108.053 108.800 -0.244 0.000 2.598 62 G HA2 -0.049 3.711 3.960 -0.334 0.000 0.215 62 G HA3 -0.049 3.512 3.960 -0.666 0.000 0.215 62 G C -0.587 173.991 174.900 -0.538 0.000 1.131 62 G CA 0.569 45.388 45.100 -0.470 0.000 0.785 62 G HN -0.714 7.395 8.290 -0.224 0.047 0.539 63 F N -0.100 119.784 119.950 -0.110 0.000 2.397 63 F HA 0.802 5.496 4.527 -0.109 -0.232 0.331 63 F C -1.198 174.568 175.800 -0.056 0.000 1.090 63 F CA -0.721 57.225 58.000 -0.089 0.000 1.065 63 F CB 2.159 41.121 39.000 -0.065 0.000 1.184 63 F HN -0.737 7.486 8.300 -0.028 0.060 0.499 64 Q N 0.378 120.259 119.800 0.136 0.000 3.093 64 Q HA 0.792 5.314 4.340 0.072 -0.139 0.330 64 Q C -1.850 174.191 176.000 0.069 0.000 0.947 64 Q CA -1.701 54.145 55.803 0.071 0.000 0.801 64 Q CB 4.881 33.627 28.738 0.012 0.000 1.470 64 Q HN 0.138 8.497 8.270 0.149 0.000 0.498 65 R N -2.028 118.459 120.500 -0.022 0.000 3.070 65 R HA 0.208 4.724 4.340 -0.003 -0.178 0.249 65 R C -2.967 173.339 176.300 0.011 0.000 1.124 65 R CA 0.671 56.755 56.100 -0.026 0.000 1.111 65 R CB 3.116 33.363 30.300 -0.088 0.000 1.268 65 R HN 0.531 8.779 8.270 -0.036 0.000 0.466 70 S N -0.792 114.982 115.700 0.123 0.000 2.540 70 S HA 0.187 4.720 4.470 0.106 0.000 0.275 70 S C -0.072 174.671 174.600 0.237 0.000 1.123 70 S CA -1.353 56.927 58.200 0.134 0.000 0.907 70 S CB 1.714 64.972 63.200 0.095 0.000 1.081 70 S HN -0.590 7.810 8.310 0.151 0.000 0.476 71 L N 3.425 124.770 121.223 0.203 0.000 2.217 71 L HA -0.064 4.443 4.340 0.278 0.000 0.211 71 L C 0.098 177.229 176.870 0.435 0.000 1.107 71 L CA 0.864 55.861 54.840 0.262 0.000 0.783 71 L CB 0.218 42.361 42.059 0.139 0.000 0.919 71 L HN 0.212 8.530 8.230 0.146 0.000 0.442 72 S N -2.895 112.979 115.700 0.288 0.000 2.562 72 S HA 0.157 5.103 4.470 0.323 -0.282 0.275 72 S C 0.527 175.155 174.600 0.046 0.000 1.281 72 S CA -0.974 57.363 58.200 0.229 0.000 1.045 72 S CB 1.341 64.603 63.200 0.105 0.000 0.962 72 S HN -0.728 7.673 8.310 0.205 0.033 0.503 73 R N 3.512 123.883 120.500 -0.216 0.000 2.275 73 R HA 0.119 4.016 4.340 -0.737 0.000 0.199 73 R C 1.664 177.801 176.300 -0.271 0.000 0.989 73 R CA 1.444 57.182 56.100 -0.602 0.000 1.016 73 R CB 0.543 30.232 30.300 -1.018 0.000 0.918 73 R HN 0.070 8.298 8.270 -0.069 0.000 0.473 74 T N -4.951 109.529 114.554 -0.124 0.000 3.015 74 T HA 0.093 4.390 4.350 -0.087 0.000 0.250 74 T C -0.479 174.195 174.700 -0.044 0.000 1.057 74 T CA 0.294 62.351 62.100 -0.072 0.000 1.066 74 T CB 1.116 69.964 68.868 -0.033 0.000 0.959 74 T HN -0.183 7.952 8.240 -0.081 0.057 0.488 75 S N 0.479 116.163 115.700 -0.027 0.000 2.570 75 S HA 0.162 4.626 4.470 -0.011 0.000 0.270 75 S C -1.541 173.062 174.600 0.006 0.000 1.149 75 S CA -0.061 58.135 58.200 -0.007 0.000 0.837 75 S CB 2.968 66.172 63.200 0.006 0.000 1.124 75 S HN -0.872 7.421 8.310 -0.029 0.000 0.465 81 I N 2.384 122.972 120.570 0.031 0.000 2.498 81 I HA 0.318 4.503 4.170 0.025 0.000 0.290 81 I C -0.902 175.232 176.117 0.028 0.000 1.032 81 I CA -0.542 60.776 61.300 0.030 0.000 1.073 81 I CB 2.824 40.849 38.000 0.041 0.000 1.251 81 I HN 0.269 8.501 8.210 0.037 0.000 0.426 82 T N 3.038 117.604 114.554 0.020 0.000 2.950 82 T HA 0.357 4.909 4.350 0.017 -0.191 0.288 82 T C -1.103 173.611 174.700 0.024 0.000 1.035 82 T CA -1.995 60.115 62.100 0.017 0.000 1.028 82 T CB 1.763 70.633 68.868 0.004 0.000 1.109 82 T HN 0.179 8.430 8.240 0.019 0.000 0.514 83 S N 1.073 116.788 115.700 0.026 0.000 2.537 83 S HA 0.305 4.789 4.470 0.024 0.000 0.270 83 S C -1.930 172.689 174.600 0.030 0.000 1.142 83 S CA -1.110 57.106 58.200 0.028 0.000 0.870 83 S CB 1.927 65.147 63.200 0.034 0.000 1.112 83 S HN 0.108 8.433 8.310 0.025 0.000 0.466 84 S N 3.809 119.525 115.700 0.027 0.000 2.661 84 S HA 0.231 4.729 4.470 0.047 0.000 0.265 84 S C -0.404 174.218 174.600 0.037 0.000 1.225 84 S CA -0.005 58.216 58.200 0.036 0.000 0.986 84 S CB 1.399 64.614 63.200 0.024 0.000 1.008 84 S HN 0.380 8.703 8.310 0.022 0.000 0.565 85 L N -0.930 120.322 121.223 0.047 0.000 2.322 85 L HA 0.314 4.795 4.340 0.019 -0.130 0.279 85 L C 0.231 177.114 176.870 0.021 0.000 1.036 85 L CA -0.544 54.315 54.840 0.031 0.000 0.807 85 L CB 1.303 43.383 42.059 0.034 0.000 1.226 85 L HN 0.536 8.803 8.230 0.061 0.000 0.433 86 S N 2.669 118.373 115.700 0.007 0.000 2.475 86 S HA 0.043 4.518 4.470 0.007 0.000 0.224 86 S C -0.247 174.351 174.600 -0.004 0.000 1.042 86 S CA 0.810 59.012 58.200 0.003 0.000 0.935 86 S CB 0.986 64.186 63.200 0.000 0.000 0.801 86 S HN 0.683 8.889 8.310 0.003 0.105 0.509 87 S N -1.710 113.981 115.700 -0.015 0.000 2.587 87 S HA 0.220 4.834 4.470 -0.020 -0.156 0.269 87 S C -2.212 172.358 174.600 -0.049 0.000 1.154 87 S CA -0.292 57.892 58.200 -0.028 0.000 0.824 87 S CB 2.613 65.794 63.200 -0.032 0.000 1.118 87 S HN -0.765 7.534 8.310 -0.017 0.000 0.462 88 V N 0.219 120.096 119.914 -0.061 0.000 2.686 88 V HA 0.503 4.709 4.120 -0.091 -0.141 0.306 88 V C -1.191 174.849 176.094 -0.091 0.000 1.065 88 V CA -0.911 61.339 62.300 -0.083 0.000 0.894 88 V CB 2.958 34.727 31.823 -0.090 0.000 1.004 88 V HN 0.263 8.421 8.190 -0.053 0.000 0.424 89 R N 9.131 129.572 120.500 -0.098 0.000 2.483 89 R HA 0.457 4.727 4.340 -0.116 0.000 0.303 89 R C -2.441 173.880 176.300 0.036 0.000 0.987 89 R CA -1.582 54.451 56.100 -0.112 0.000 0.881 89 R CB 2.372 32.471 30.300 -0.335 0.000 1.177 89 R HN 0.524 8.742 8.270 -0.085 0.000 0.451 90 V N 6.441 126.346 119.914 -0.015 0.000 2.743 90 V HA -0.016 4.082 4.120 -0.038 0.000 0.301 90 V C -0.580 175.378 176.094 -0.228 0.000 1.057 90 V CA -0.624 61.633 62.300 -0.070 0.000 1.006 90 V CB 1.740 33.510 31.823 -0.088 0.000 1.024 90 V HN 0.305 8.469 8.190 -0.043 0.000 0.473 91 H N 6.199 124.871 119.070 -0.663 0.000 3.064 91 H HA -0.080 3.161 4.556 -2.192 0.000 0.329 91 H C 0.465 175.559 175.328 -0.389 0.000 1.020 91 H CA 0.879 56.255 56.048 -1.118 0.000 1.402 91 H CB 1.116 30.401 29.762 -0.794 0.000 1.379 91 H HN -0.192 7.879 8.280 -0.348 0.000 0.594 92 P HA -0.014 4.359 4.420 -0.078 0.000 0.225 92 P C -0.434 176.892 177.300 0.045 0.000 1.148 92 P CA 1.562 64.577 63.100 -0.141 0.000 0.779 92 P CB 0.301 31.920 31.700 -0.135 0.000 0.780 93 S N -2.242 113.625 115.700 0.279 0.000 2.575 93 S HA 0.094 4.627 4.470 0.104 0.000 0.237 93 S C -0.898 173.788 174.600 0.142 0.000 0.975 93 S CA -0.240 58.082 58.200 0.204 0.000 0.960 93 S CB 0.623 63.937 63.200 0.190 0.000 0.822 93 S HN -0.522 8.111 8.310 0.610 0.043 0.472 94 Y N 4.526 124.854 120.300 0.046 0.000 2.802 94 Y HA -0.318 4.484 4.550 -0.058 -0.287 0.333 94 Y C -0.609 175.272 175.900 -0.032 0.000 1.244 94 Y CA 1.544 59.629 58.100 -0.026 0.000 1.558 94 Y CB -0.183 38.261 38.460 -0.027 0.000 1.233 94 Y HN -0.646 7.648 8.280 0.300 0.166 0.547 95 S N 7.815 123.223 115.700 -0.486 0.000 2.592 95 S HA 0.165 4.301 4.470 -0.558 0.000 0.275 95 S C -1.195 173.131 174.600 -0.456 0.000 1.169 95 S CA -0.646 57.272 58.200 -0.470 0.000 0.958 95 S CB 2.238 65.302 63.200 -0.227 0.000 1.095 95 S HN 0.107 8.192 8.310 -0.375 0.000 0.471 100 N N 1.190 119.791 118.700 -0.164 0.000 2.518 100 N HA 0.060 4.788 4.740 -0.019 0.000 0.283 100 N C -1.078 174.441 175.510 0.016 0.000 1.119 100 N CA 0.192 53.203 53.050 -0.065 0.000 0.983 100 N CB 1.238 39.661 38.487 -0.107 0.000 1.139 100 N HN -0.358 7.712 8.380 -0.241 0.165 0.465 101 N N -1.238 117.454 118.700 -0.013 0.000 2.727 101 N HA -0.386 4.237 4.740 -0.195 0.000 0.251 101 N C -1.521 174.015 175.510 0.044 0.000 1.040 101 N CA 1.504 54.478 53.050 -0.126 0.000 0.712 101 N CB -0.974 37.322 38.487 -0.319 0.000 0.912 101 N HN 0.794 9.165 8.380 -0.014 0.000 0.545 102 D N -0.616 119.849 120.400 0.108 0.000 2.896 102 D HA 0.063 4.794 4.640 0.152 0.000 0.240 102 D C -1.714 174.597 176.300 0.019 0.000 1.193 102 D CA -0.774 53.305 54.000 0.132 0.000 0.983 102 D CB -0.768 40.170 40.800 0.232 0.000 1.074 102 D HN 0.136 8.557 8.370 0.086 0.000 0.496 103 L N -0.313 120.896 121.223 -0.024 0.000 2.371 103 L HA 0.777 5.309 4.340 0.034 -0.171 0.262 103 L C -2.372 174.523 176.870 0.042 0.000 1.006 103 L CA -1.380 53.491 54.840 0.051 0.000 0.818 103 L CB 4.869 47.052 42.059 0.207 0.000 1.354 103 L HN -0.565 7.567 8.230 -0.045 0.071 0.415 104 A N -0.429 122.452 122.820 0.102 0.000 2.515 104 A HA 0.851 5.454 4.320 0.251 -0.133 0.298 104 A C -2.304 175.365 177.584 0.141 0.000 1.059 104 A CA -1.554 50.560 52.037 0.128 0.000 0.698 104 A CB 4.202 23.164 19.000 -0.064 0.000 1.289 104 A HN 0.744 8.943 8.150 0.082 0.000 0.404 105 I N 0.851 121.491 120.570 0.117 0.000 2.354 105 I HA 0.583 4.901 4.170 -0.006 -0.152 0.292 105 I C -1.309 174.777 176.117 -0.052 0.000 0.989 105 I CA -2.198 59.093 61.300 -0.015 0.000 1.188 105 I CB 1.236 39.155 38.000 -0.135 0.000 1.342 105 I HN 0.345 8.666 8.210 0.185 0.000 0.457 106 L N 7.179 128.371 121.223 -0.052 0.000 2.307 106 L HA 0.529 4.974 4.340 -0.075 -0.150 0.284 106 L C -0.592 176.252 176.870 -0.043 0.000 1.023 106 L CA -1.507 53.295 54.840 -0.062 0.000 0.810 106 L CB 1.685 43.702 42.059 -0.070 0.000 1.231 106 L HN 0.834 9.041 8.230 -0.038 0.000 0.423 107 K N 2.494 122.870 120.400 -0.040 0.000 2.159 107 K HA 0.649 5.147 4.320 -0.026 -0.194 0.266 107 K C -0.648 175.945 176.600 -0.012 0.000 0.975 107 K CA -2.490 53.782 56.287 -0.025 0.000 0.865 107 K CB 1.804 34.290 32.500 -0.023 0.000 1.087 107 K HN 0.178 8.401 8.250 -0.046 0.000 0.446 108 L N 3.830 125.051 121.223 -0.004 0.000 2.307 108 L HA 0.279 4.762 4.340 0.011 -0.137 0.282 108 L C 0.008 176.883 176.870 0.010 0.000 1.051 108 L CA -0.556 54.289 54.840 0.009 0.000 0.804 108 L CB 0.727 42.798 42.059 0.019 0.000 1.197 108 L HN 0.135 8.361 8.230 -0.007 0.000 0.431 109 S N 1.457 117.165 115.700 0.014 0.000 2.428 109 S HA -0.075 4.401 4.470 0.010 0.000 0.230 109 S C 0.480 175.089 174.600 0.015 0.000 1.014 109 S CA 2.829 61.036 58.200 0.013 0.000 0.957 109 S CB 0.753 63.962 63.200 0.014 0.000 0.784 109 S HN 0.289 8.608 8.310 0.017 0.000 0.499 110 T N 4.161 118.727 114.554 0.020 0.000 2.809 110 T HA 0.132 4.495 4.350 0.021 0.000 0.284 110 T C -1.488 173.232 174.700 0.033 0.000 0.992 110 T CA -0.611 61.504 62.100 0.024 0.000 0.957 110 T CB 1.721 70.604 68.868 0.025 0.000 0.942 110 T HN -0.560 7.662 8.240 0.022 0.031 0.439 111 S N 5.868 121.588 115.700 0.034 0.000 2.562 111 S HA 0.010 4.681 4.470 0.043 -0.175 0.281 111 S C -0.291 174.350 174.600 0.069 0.000 1.333 111 S CA 1.072 59.299 58.200 0.046 0.000 1.052 111 S CB 0.768 63.992 63.200 0.040 0.000 0.884 111 S HN 0.270 8.598 8.310 0.029 0.000 0.506 112 I N 4.781 125.414 120.570 0.104 0.000 2.382 112 I HA 0.388 4.617 4.170 0.099 0.000 0.285 112 I C -1.850 174.386 176.117 0.198 0.000 1.007 112 I CA -3.160 58.220 61.300 0.132 0.000 1.142 112 I CB 1.665 39.751 38.000 0.144 0.000 1.289 112 I HN 0.383 8.545 8.210 0.108 0.113 0.453 113 P HA 0.375 4.918 4.420 0.205 0.000 0.277 113 P C -0.917 176.395 177.300 0.021 0.000 1.240 113 P CA -0.960 62.217 63.100 0.128 0.000 0.798 113 P CB 0.619 32.359 31.700 0.068 0.000 0.979 114 S N 1.218 116.844 115.700 -0.123 0.000 2.603 114 S HA -0.140 4.211 4.470 -0.341 -0.085 0.268 114 S C -0.048 174.471 174.600 -0.136 0.000 1.317 114 S CA 0.572 58.573 58.200 -0.332 0.000 1.012 114 S CB 1.212 64.008 63.200 -0.674 0.000 0.926 114 S HN -0.143 8.149 8.310 -0.029 0.000 0.539 115 G N 3.464 112.192 108.800 -0.121 0.000 2.348 115 G HA2 -0.197 3.727 3.960 -0.060 0.000 0.606 115 G HA3 -0.197 3.737 3.960 -0.045 0.000 0.606 115 G C -1.320 173.555 174.900 -0.042 0.000 1.466 115 G CA -0.736 44.327 45.100 -0.062 0.000 0.950 115 G HN 0.222 8.420 8.290 -0.153 0.000 0.657 116 G N 1.355 110.138 108.800 -0.028 0.000 2.583 116 G HA2 -0.354 3.597 3.960 -0.015 0.000 0.292 116 G HA3 -0.354 3.599 3.960 -0.012 0.000 0.292 116 G C -1.033 173.855 174.900 -0.020 0.000 1.203 116 G CA 0.187 45.276 45.100 -0.017 0.000 0.987 116 G HN 0.199 8.472 8.290 -0.028 0.000 0.554 117 N N 3.656 122.351 118.700 -0.008 0.000 2.322 117 N HA 0.037 4.770 4.740 -0.012 0.000 0.216 117 N C -1.116 174.396 175.510 0.004 0.000 1.144 117 N CA 0.232 53.280 53.050 -0.004 0.000 0.830 117 N CB -0.305 38.187 38.487 0.008 0.000 1.034 117 N HN 0.110 8.489 8.380 -0.002 0.000 0.484 118 I N -0.958 119.603 120.570 -0.014 0.000 2.433 118 I HA 0.390 4.776 4.170 0.018 -0.206 0.292 118 I C -1.216 174.842 176.117 -0.099 0.000 1.001 118 I CA -1.109 60.178 61.300 -0.021 0.000 1.119 118 I CB 2.664 40.656 38.000 -0.013 0.000 1.289 118 I HN -0.618 7.484 8.210 -0.026 0.093 0.438 119 G N 4.606 113.363 108.800 -0.071 0.000 2.866 119 G HA2 0.443 4.158 3.960 -0.407 0.000 0.289 119 G HA3 0.443 4.370 3.960 -0.055 0.000 0.289 119 G C -2.454 172.420 174.900 -0.043 0.000 1.396 119 G CA -1.027 43.966 45.100 -0.177 0.000 0.848 119 G HN -0.235 7.964 8.290 0.028 0.108 0.515 120 Y N -1.736 118.653 120.300 0.148 0.000 2.446 120 Y HA 0.467 5.265 4.550 0.148 -0.159 0.338 120 Y C -0.579 175.319 175.900 -0.004 0.000 1.055 120 Y CA -2.391 55.769 58.100 0.101 0.000 1.101 120 Y CB 2.546 41.029 38.460 0.040 0.000 1.221 120 Y HN 0.083 8.325 8.280 -0.063 0.000 0.460 121 A N 1.964 124.754 122.820 -0.051 0.000 2.407 121 A HA 0.059 3.886 4.320 -0.822 0.000 0.248 121 A C -0.936 176.512 177.584 -0.227 0.000 1.082 121 A CA -0.114 51.594 52.037 -0.548 0.000 0.785 121 A CB 1.237 19.733 19.000 -0.840 0.000 1.020 121 A HN 0.133 8.311 8.150 0.046 0.000 0.489 122 R N 2.110 122.476 120.500 -0.223 0.000 2.294 122 R HA 0.228 4.522 4.340 -0.076 0.000 0.319 122 R C -1.519 174.714 176.300 -0.113 0.000 0.984 122 R CA -0.930 55.106 56.100 -0.107 0.000 0.861 122 R CB 1.213 31.483 30.300 -0.051 0.000 1.104 122 R HN 0.378 8.473 8.270 -0.291 0.000 0.451 123 L N 5.221 126.399 121.223 -0.075 0.000 2.343 123 L HA 0.394 4.695 4.340 -0.064 0.000 0.275 123 L C 0.174 177.027 176.870 -0.029 0.000 1.056 123 L CA -1.442 53.366 54.840 -0.053 0.000 0.804 123 L CB 1.960 43.998 42.059 -0.034 0.000 1.203 123 L HN 0.366 8.559 8.230 -0.061 0.000 0.440 124 A N 0.576 123.385 122.820 -0.018 0.000 2.520 124 A HA -0.131 4.175 4.320 -0.025 0.000 0.235 124 A C -0.821 176.760 177.584 -0.005 0.000 1.065 124 A CA 0.114 52.141 52.037 -0.017 0.000 0.764 124 A CB 0.602 19.590 19.000 -0.020 0.000 1.002 124 A HN 0.058 8.200 8.150 -0.014 0.000 0.502 125 A N 1.694 124.509 122.820 -0.009 0.000 2.407 125 A HA 0.021 4.341 4.320 -0.001 0.000 0.248 125 A C 0.011 177.601 177.584 0.010 0.000 1.082 125 A CA -0.424 51.612 52.037 -0.002 0.000 0.785 125 A CB 0.611 19.607 19.000 -0.007 0.000 1.020 125 A HN 0.099 8.239 8.150 -0.016 0.000 0.489 126 S N 1.753 117.463 115.700 0.017 0.000 2.544 126 S HA -0.233 4.467 4.470 0.040 -0.206 0.290 126 S C 1.838 176.451 174.600 0.022 0.000 1.276 126 S CA 1.637 59.855 58.200 0.029 0.000 1.075 126 S CB -0.271 62.949 63.200 0.033 0.000 0.849 126 S HN 0.390 8.708 8.310 0.014 0.000 0.494 127 G N 7.873 116.689 108.800 0.027 0.000 2.195 127 G HA2 -0.219 3.757 3.960 0.026 0.000 0.246 127 G HA3 -0.219 3.751 3.960 0.016 0.000 0.246 127 G C -0.009 174.897 174.900 0.009 0.000 0.984 127 G CA 0.104 45.216 45.100 0.020 0.000 0.633 127 G HN -0.157 8.155 8.290 0.036 0.000 0.525 128 S N 1.138 116.838 115.700 0.000 0.000 2.614 128 S HA 0.088 4.545 4.470 -0.021 0.000 0.265 128 S C -1.252 173.330 174.600 -0.031 0.000 1.303 128 S CA 0.228 58.416 58.200 -0.021 0.000 1.000 128 S CB 1.767 64.946 63.200 -0.034 0.000 0.935 128 S HN -0.439 7.804 8.310 0.005 0.070 0.551 129 D N 0.113 120.477 120.400 -0.061 0.000 2.966 129 D HA 0.351 4.932 4.640 -0.099 0.000 0.222 129 D C -2.218 173.990 176.300 -0.153 0.000 1.292 129 D CA -2.310 51.638 54.000 -0.087 0.000 0.907 129 D CB 2.227 43.009 40.800 -0.030 0.000 1.621 129 D HN 0.092 8.425 8.370 -0.062 0.000 0.557 130 P HA 0.020 4.284 4.420 -0.260 0.000 0.268 130 P C -1.595 175.604 177.300 -0.168 0.000 1.204 130 P CA -0.282 62.628 63.100 -0.317 0.000 0.768 130 P CB 0.818 32.123 31.700 -0.658 0.000 0.842 131 V N 3.086 122.932 119.914 -0.113 0.000 2.546 131 V HA -0.003 4.088 4.120 -0.049 0.000 0.284 131 V C 0.246 176.315 176.094 -0.041 0.000 1.050 131 V CA -0.645 61.619 62.300 -0.061 0.000 0.981 131 V CB 0.877 32.672 31.823 -0.047 0.000 0.990 131 V HN 0.247 8.365 8.190 -0.121 0.000 0.474 132 A N 6.127 128.937 122.820 -0.016 0.000 2.565 132 A HA -0.312 4.125 4.320 0.009 -0.111 0.237 132 A C 0.814 178.395 177.584 -0.005 0.000 1.053 132 A CA 1.328 53.366 52.037 0.000 0.000 0.755 132 A CB -0.199 18.807 19.000 0.010 0.000 0.980 132 A HN 0.274 8.417 8.150 -0.013 0.000 0.506 133 G N 3.257 112.058 108.800 0.000 0.000 2.253 133 G HA2 -0.403 3.558 3.960 0.002 0.000 0.251 133 G HA3 -0.403 3.555 3.960 -0.003 0.000 0.251 133 G C -0.103 174.792 174.900 -0.008 0.000 0.998 133 G CA -0.166 44.933 45.100 -0.002 0.000 0.621 133 G HN 0.499 8.685 8.290 0.008 0.109 0.524 134 S N 0.882 116.571 115.700 -0.019 0.000 2.593 134 S HA 0.049 4.507 4.470 -0.020 0.000 0.269 134 S C -0.555 174.033 174.600 -0.021 0.000 1.334 134 S CA 0.193 58.378 58.200 -0.025 0.000 1.015 134 S CB 1.397 64.571 63.200 -0.043 0.000 0.912 134 S HN -0.477 7.735 8.310 -0.023 0.085 0.541 135 S N 1.472 117.161 115.700 -0.017 0.000 2.537 135 S HA 0.084 4.551 4.470 -0.005 0.000 0.275 135 S C -1.476 173.117 174.600 -0.012 0.000 1.272 135 S CA 1.070 59.265 58.200 -0.009 0.000 1.050 135 S CB 0.662 63.861 63.200 -0.002 0.000 0.961 135 S HN 0.147 8.446 8.310 -0.018 0.000 0.496 136 A N 3.037 125.852 122.820 -0.009 0.000 2.469 136 A HA 0.698 5.158 4.320 -0.002 -0.141 0.299 136 A C -2.006 175.580 177.584 0.005 0.000 1.098 136 A CA -1.627 50.404 52.037 -0.011 0.000 0.737 136 A CB 3.961 22.938 19.000 -0.039 0.000 1.312 136 A HN 0.460 8.606 8.150 -0.006 0.000 0.414 137 T N 2.902 117.474 114.554 0.030 0.000 2.848 137 T HA 0.726 5.271 4.350 0.034 -0.174 0.285 137 T C -0.995 173.707 174.700 0.003 0.000 0.995 137 T CA -0.599 61.535 62.100 0.056 0.000 0.970 137 T CB 2.161 71.123 68.868 0.155 0.000 0.976 137 T HN 0.255 8.519 8.240 0.040 0.000 0.441 138 V N 5.826 125.708 119.914 -0.054 0.000 2.715 138 V HA 0.858 5.079 4.120 -0.140 -0.185 0.310 138 V C -2.359 173.593 176.094 -0.235 0.000 1.054 138 V CA -2.580 59.651 62.300 -0.116 0.000 0.928 138 V CB 3.433 35.246 31.823 -0.017 0.000 1.007 138 V HN 0.500 8.672 8.190 -0.030 0.000 0.437 139 A N 2.267 124.859 122.820 -0.380 0.000 2.539 139 A HA 1.024 5.248 4.320 -0.398 -0.142 0.296 139 A C -2.062 175.284 177.584 -0.398 0.000 1.073 139 A CA -1.740 49.981 52.037 -0.526 0.000 0.700 139 A CB 4.035 22.365 19.000 -1.116 0.000 1.296 139 A HN -0.173 7.783 8.150 -0.323 0.000 0.405 140 G N -1.402 107.138 108.800 -0.433 0.000 2.320 140 G HA2 0.227 3.942 3.960 -0.408 0.000 0.296 140 G HA3 0.227 4.258 3.960 -0.118 -0.142 0.296 140 G C -1.904 172.782 174.900 -0.358 0.000 1.306 140 G CA 0.564 45.465 45.100 -0.331 0.000 0.836 140 G HN -0.023 7.991 8.290 -0.460 0.000 0.517 141 W N 0.054 121.338 121.300 -0.026 0.000 3.102 141 W HA 0.335 4.993 4.660 -0.004 0.000 0.401 141 W C -1.043 175.473 176.519 -0.005 0.000 1.070 141 W CA -0.881 56.460 57.345 -0.007 0.000 1.921 141 W CB 1.123 30.588 29.460 0.008 0.000 1.118 141 W HN 0.495 8.907 8.180 0.387 0.000 0.647 142 G N -1.473 107.415 108.800 0.147 0.000 2.621 142 G HA2 0.061 4.098 3.960 0.098 0.000 0.271 142 G HA3 0.061 4.165 3.960 0.053 -0.112 0.271 142 G C -0.866 174.070 174.900 0.059 0.000 1.236 142 G CA -1.142 44.010 45.100 0.086 0.000 0.958 142 G HN -0.502 8.105 8.290 0.103 -0.255 0.512 143 A N -1.373 121.471 122.820 0.039 0.000 2.483 143 A HA -0.076 4.268 4.320 0.040 0.000 0.238 143 A C 0.406 178.002 177.584 0.020 0.000 1.070 143 A CA 0.484 52.540 52.037 0.031 0.000 0.770 143 A CB 1.103 20.116 19.000 0.022 0.000 1.008 143 A HN -0.119 8.049 8.150 0.031 0.000 0.497 144 T N -4.694 109.872 114.554 0.019 0.000 3.060 144 T HA 0.251 4.873 4.350 0.008 -0.268 0.249 144 T C 0.127 174.834 174.700 0.011 0.000 1.079 144 T CA -0.154 61.953 62.100 0.013 0.000 1.013 144 T CB 0.722 69.599 68.868 0.014 0.000 0.975 144 T HN 0.546 8.800 8.240 0.024 0.000 0.518 145 S N 0.514 116.221 115.700 0.012 0.000 2.536 145 S HA 0.255 4.731 4.470 0.009 0.000 0.287 145 S C -1.196 173.408 174.600 0.008 0.000 1.101 145 S CA -1.277 56.928 58.200 0.010 0.000 0.950 145 S CB 2.712 65.918 63.200 0.011 0.000 1.056 145 S HN -0.405 7.860 8.310 0.014 0.053 0.481 146 E N 4.276 124.479 120.200 0.005 0.000 2.529 146 E HA -0.323 4.027 4.350 0.000 0.000 0.259 146 E C 0.761 177.363 176.600 0.003 0.000 0.966 146 E CA 1.610 58.011 56.400 0.002 0.000 0.937 146 E CB 0.327 30.027 29.700 0.000 0.000 0.923 146 E HN 0.431 8.795 8.360 0.006 0.000 0.468 147 G N 4.236 113.037 108.800 0.002 0.000 2.225 147 G HA2 -0.349 3.613 3.960 0.004 0.000 0.267 147 G HA3 -0.349 3.613 3.960 0.004 0.000 0.267 147 G C -0.266 174.639 174.900 0.010 0.000 1.024 147 G CA 0.083 45.186 45.100 0.005 0.000 0.784 147 G HN 0.528 8.865 8.290 -0.001 -0.047 0.507 148 G N -2.193 106.615 108.800 0.013 0.000 2.539 148 G HA2 0.148 4.118 3.960 0.016 0.000 0.258 148 G HA3 0.148 4.119 3.960 0.019 0.000 0.258 148 G C -0.671 174.242 174.900 0.021 0.000 1.202 148 G CA -1.467 43.643 45.100 0.017 0.000 0.851 148 G HN -0.428 7.800 8.290 0.012 0.069 0.556 149 S N -1.980 113.733 115.700 0.022 0.000 2.528 149 S HA -0.076 4.409 4.470 0.025 0.000 0.219 149 S C -0.527 174.090 174.600 0.030 0.000 0.985 149 S CA 0.932 59.147 58.200 0.024 0.000 0.914 149 S CB 0.414 63.626 63.200 0.021 0.000 0.776 149 S HN 0.094 8.417 8.310 0.020 0.000 0.526 150 S N 0.339 116.058 115.700 0.033 0.000 2.537 150 S HA 0.115 4.610 4.470 0.042 0.000 0.270 150 S C -2.350 172.278 174.600 0.047 0.000 1.142 150 S CA -0.178 58.045 58.200 0.039 0.000 0.870 150 S CB 2.337 65.558 63.200 0.036 0.000 1.112 150 S HN -0.590 7.634 8.310 0.031 0.104 0.466 151 T N 3.170 117.761 114.554 0.061 0.000 2.855 151 T HA 0.292 4.685 4.350 0.073 0.000 0.281 151 T C -1.578 173.181 174.700 0.100 0.000 1.007 151 T CA -2.937 59.212 62.100 0.081 0.000 1.009 151 T CB 0.619 69.539 68.868 0.086 0.000 0.983 151 T HN 0.058 8.333 8.240 0.059 0.000 0.455 152 P HA 0.143 4.624 4.420 0.102 0.000 0.271 152 P C -0.068 177.360 177.300 0.214 0.000 1.218 152 P CA -0.189 62.991 63.100 0.133 0.000 0.780 152 P CB 0.888 32.651 31.700 0.105 0.000 0.901 153 V N 1.113 121.133 119.914 0.178 0.000 2.453 153 V HA -0.348 3.878 4.120 0.177 0.000 0.247 153 V C -0.350 175.959 176.094 0.358 0.000 1.048 153 V CA 3.232 65.652 62.300 0.201 0.000 1.049 153 V CB 0.208 32.101 31.823 0.116 0.000 0.672 153 V HN 0.318 8.587 8.190 0.133 0.000 0.457 154 N N -3.463 115.402 118.700 0.275 0.000 2.456 154 N HA 0.280 5.464 4.740 0.364 -0.226 0.296 154 N C -0.084 175.437 175.510 0.018 0.000 1.102 154 N CA -1.348 51.844 53.050 0.237 0.000 0.924 154 N CB 0.962 39.525 38.487 0.127 0.000 1.186 154 N HN -0.602 7.894 8.380 0.194 0.000 0.492 155 L N 2.943 124.031 121.223 -0.224 0.000 2.525 155 L HA -0.135 3.375 4.340 -1.384 0.000 0.278 155 L C -1.220 175.430 176.870 -0.366 0.000 1.218 155 L CA 0.858 55.241 54.840 -0.762 0.000 0.878 155 L CB 0.680 42.311 42.059 -0.712 0.000 1.127 155 L HN -0.112 8.119 8.230 0.003 0.000 0.492 156 L N 4.774 125.770 121.223 -0.378 0.000 2.322 156 L HA 0.757 5.158 4.340 -0.131 -0.140 0.269 156 L C -1.363 175.389 176.870 -0.196 0.000 1.012 156 L CA -1.552 53.171 54.840 -0.195 0.000 0.815 156 L CB 2.915 44.896 42.059 -0.130 0.000 1.295 156 L HN 0.062 7.981 8.230 -0.518 0.000 0.438 157 K N -2.403 117.947 120.400 -0.084 0.000 2.512 157 K HA 1.011 5.423 4.320 -0.134 -0.172 0.263 157 K C -2.322 174.271 176.600 -0.013 0.000 0.966 157 K CA -1.760 54.495 56.287 -0.052 0.000 0.851 157 K CB 4.526 37.097 32.500 0.118 0.000 1.395 157 K HN 0.586 8.804 8.250 -0.053 0.000 0.440 158 V N -0.122 119.788 119.914 -0.007 0.000 3.012 158 V HA 0.362 4.491 4.120 0.015 0.000 0.307 158 V C -2.856 173.250 176.094 0.020 0.000 1.166 158 V CA -1.293 61.012 62.300 0.009 0.000 0.974 158 V CB 3.319 35.144 31.823 0.003 0.000 1.040 158 V HN 0.450 8.627 8.190 -0.022 0.000 0.428 159 T N 8.757 123.324 114.554 0.023 0.000 2.794 159 T HA 0.809 5.360 4.350 0.023 -0.187 0.280 159 T C -1.184 173.525 174.700 0.016 0.000 0.987 159 T CA -0.337 61.776 62.100 0.022 0.000 0.993 159 T CB 0.882 69.764 68.868 0.024 0.000 0.939 159 T HN 0.240 8.492 8.240 0.021 0.000 0.449 160 V N 0.458 120.379 119.914 0.011 0.000 3.049 160 V HA 0.723 4.854 4.120 0.018 0.000 0.309 160 V C -2.904 173.197 176.094 0.011 0.000 1.148 160 V CA -4.473 57.836 62.300 0.016 0.000 0.990 160 V CB 1.985 33.825 31.823 0.028 0.000 1.039 160 V HN 0.595 8.788 8.190 0.005 0.000 0.430 161 P HA 0.441 5.048 4.420 0.007 -0.182 0.282 161 P C -0.652 176.667 177.300 0.031 0.000 1.249 161 P CA -1.684 61.425 63.100 0.015 0.000 0.806 161 P CB 1.137 32.845 31.700 0.014 0.000 0.984 162 I N 0.719 121.306 120.570 0.028 0.000 2.648 162 I HA -0.093 4.282 4.170 0.109 -0.140 0.284 162 I C 0.511 176.664 176.117 0.061 0.000 1.153 162 I CA -0.562 60.775 61.300 0.062 0.000 1.426 162 I CB -0.971 37.037 38.000 0.014 0.000 1.381 162 I HN 0.145 8.361 8.210 0.009 0.000 0.571 163 V N 7.779 127.749 119.914 0.093 0.000 2.435 163 V HA 0.203 4.354 4.120 0.051 0.000 0.290 163 V C -1.177 174.965 176.094 0.081 0.000 1.030 163 V CA -1.451 60.893 62.300 0.073 0.000 0.881 163 V CB 1.338 33.205 31.823 0.073 0.000 0.983 163 V HN 0.047 8.208 8.190 0.132 0.108 0.445 164 S N 5.836 121.568 115.700 0.054 0.000 2.563 164 S HA -0.075 4.428 4.470 0.055 0.000 0.284 164 S C 0.890 175.531 174.600 0.069 0.000 1.331 164 S CA -0.293 57.939 58.200 0.054 0.000 1.047 164 S CB 1.466 64.686 63.200 0.035 0.000 0.859 164 S HN 0.256 8.591 8.310 0.042 0.000 0.514 165 R N 4.137 124.682 120.500 0.075 0.000 2.096 165 R HA -0.407 3.990 4.340 0.094 0.000 0.235 165 R C 1.537 177.879 176.300 0.070 0.000 1.127 165 R CA 4.247 60.396 56.100 0.082 0.000 0.968 165 R CB -0.226 30.125 30.300 0.085 0.000 0.861 165 R HN 0.675 8.986 8.270 0.069 0.000 0.440 166 A N -2.579 120.272 122.820 0.053 0.000 1.877 166 A HA -0.191 4.158 4.320 0.048 0.000 0.216 166 A C 2.154 179.763 177.584 0.042 0.000 1.186 166 A CA 3.039 55.102 52.037 0.044 0.000 0.620 166 A CB -0.927 18.091 19.000 0.031 0.000 0.822 166 A HN 0.198 8.368 8.150 0.049 0.009 0.443 167 T N 1.345 115.920 114.554 0.036 0.000 2.708 167 T HA -0.446 3.910 4.350 0.010 0.000 0.266 167 T C 1.869 176.593 174.700 0.039 0.000 1.037 167 T CA 4.903 67.017 62.100 0.023 0.000 1.146 167 T CB -0.047 68.829 68.868 0.014 0.000 0.865 167 T HN -0.543 7.719 8.240 0.037 0.000 0.435 168 C N 1.084 120.429 119.300 0.076 0.000 2.425 168 C HA -0.246 4.305 4.460 0.153 0.000 0.277 168 C C 2.413 177.517 174.990 0.190 0.000 1.280 168 C CA 3.180 62.283 59.018 0.142 0.000 1.744 168 C CB -1.905 25.907 27.740 0.120 0.000 1.989 168 C HN -0.139 8.134 8.230 0.072 0.000 0.491 169 R N -0.418 120.161 120.500 0.132 0.000 2.096 169 R HA -0.263 4.316 4.340 0.182 -0.130 0.235 169 R C 2.367 178.728 176.300 0.101 0.000 1.127 169 R CA 2.799 58.979 56.100 0.134 0.000 0.968 169 R CB -0.169 30.188 30.300 0.096 0.000 0.861 169 R HN -0.012 8.320 8.270 0.105 0.000 0.440 170 A N -2.933 119.918 122.820 0.053 0.000 1.969 170 A HA -0.243 4.088 4.320 0.019 0.000 0.218 170 A C 1.894 179.458 177.584 -0.033 0.000 1.169 170 A CA 2.427 54.471 52.037 0.010 0.000 0.635 170 A CB -0.621 18.371 19.000 -0.012 0.000 0.810 170 A HN -0.491 7.606 8.150 0.050 0.083 0.445 171 Q N -2.223 117.541 119.800 -0.060 0.000 2.049 171 Q HA -0.269 3.867 4.340 -0.340 0.000 0.198 171 Q C 1.426 177.314 176.000 -0.186 0.000 0.971 171 Q CA 2.783 58.432 55.803 -0.257 0.000 0.833 171 Q CB 0.694 29.200 28.738 -0.387 0.000 0.896 171 Q HN -0.613 7.537 8.270 -0.008 0.115 0.434 172 Y N -4.716 115.643 120.300 0.099 0.000 2.506 172 Y HA 0.037 4.743 4.550 0.260 0.000 0.287 172 Y C 2.571 178.564 175.900 0.155 0.000 1.147 172 Y CA 1.500 59.716 58.100 0.194 0.000 1.241 172 Y CB 0.604 39.205 38.460 0.235 0.000 1.279 172 Y HN -0.270 8.162 8.280 0.254 0.000 0.527 173 T N 0.276 114.888 114.554 0.097 0.000 2.737 173 T HA -0.212 4.189 4.350 0.085 0.000 0.265 173 T C 2.012 176.760 174.700 0.079 0.000 1.038 173 T CA 2.458 64.606 62.100 0.080 0.000 1.144 173 T CB -0.357 68.544 68.868 0.055 0.000 0.866 173 T HN 0.148 8.438 8.240 0.082 0.000 0.434 174 S N 1.347 117.087 115.700 0.067 0.000 2.453 174 S HA -0.102 4.394 4.470 0.042 0.000 0.231 174 S C 0.003 174.638 174.600 0.058 0.000 1.005 174 S CA 1.677 59.907 58.200 0.049 0.000 0.949 174 S CB -0.634 62.582 63.200 0.026 0.000 0.774 174 S HN 0.330 8.679 8.310 0.065 0.000 0.510 175 A N 0.197 123.078 122.820 0.102 0.000 1.968 175 A HA -0.133 4.214 4.320 0.044 0.000 0.217 175 A C -0.570 177.133 177.584 0.197 0.000 1.169 175 A CA 1.468 53.584 52.037 0.132 0.000 0.638 175 A CB 0.342 19.490 19.000 0.247 0.000 0.812 175 A HN -0.486 7.687 8.150 0.120 0.049 0.446 176 I N -1.308 119.370 120.570 0.179 0.000 2.328 176 I HA 0.291 4.588 4.170 0.213 0.000 0.287 176 I C -0.612 175.572 176.117 0.112 0.000 1.012 176 I CA -2.888 58.510 61.300 0.163 0.000 1.195 176 I CB -1.076 36.998 38.000 0.124 0.000 1.350 176 I HN -0.747 7.530 8.210 0.159 0.028 0.464 177 T N 4.960 119.576 114.554 0.103 0.000 2.849 177 T HA 0.333 4.720 4.350 0.062 0.000 0.276 177 T C 0.972 175.718 174.700 0.077 0.000 0.971 177 T CA -2.014 60.129 62.100 0.071 0.000 0.949 177 T CB 1.731 70.626 68.868 0.045 0.000 1.093 177 T HN -0.417 7.898 8.240 0.126 0.000 0.545 178 N N -2.299 116.438 118.700 0.061 0.000 2.571 178 N HA -0.136 4.650 4.740 0.077 0.000 0.189 178 N C -0.121 175.435 175.510 0.077 0.000 1.154 178 N CA 1.365 54.456 53.050 0.068 0.000 0.907 178 N CB -0.688 37.830 38.487 0.052 0.000 0.977 178 N HN 0.447 8.857 8.380 0.050 0.000 0.449 179 Q N -3.597 116.244 119.800 0.069 0.000 2.220 179 Q HA 0.192 4.583 4.340 0.084 0.000 0.205 179 Q C -1.196 174.870 176.000 0.111 0.000 0.865 179 Q CA -0.604 55.241 55.803 0.070 0.000 0.960 179 Q CB 0.095 28.833 28.738 0.000 0.000 1.097 179 Q HN -0.667 7.569 8.270 0.059 0.069 0.493 180 M N -0.985 118.694 119.600 0.131 0.000 2.602 180 M HA 0.858 5.584 4.480 0.087 -0.193 0.312 180 M C -1.635 174.781 176.300 0.193 0.000 1.181 180 M CA -0.814 54.555 55.300 0.115 0.000 0.910 180 M CB 4.822 37.481 32.600 0.098 0.000 1.723 180 M HN -0.654 7.632 8.290 0.124 0.079 0.459 181 F N -2.626 117.371 119.950 0.078 0.000 2.650 181 F HA 0.603 5.156 4.527 0.045 0.000 0.320 181 F C -3.038 172.818 175.800 0.093 0.000 1.091 181 F CA -1.812 56.227 58.000 0.064 0.000 0.962 181 F CB 2.506 41.535 39.000 0.049 0.000 1.363 181 F HN 0.343 8.528 8.300 -0.192 0.000 0.482 182 C N -1.651 117.789 119.300 0.232 0.000 2.614 182 C HA 1.033 5.697 4.460 0.044 -0.178 0.320 182 C C -1.205 173.927 174.990 0.237 0.000 1.200 182 C CA -1.753 57.344 59.018 0.130 0.000 1.700 182 C CB 3.559 31.339 27.740 0.067 0.000 2.275 182 C HN 0.549 9.006 8.230 0.379 0.000 0.492 183 A N 1.328 124.275 122.820 0.211 0.000 2.513 183 A HA 0.768 5.297 4.320 0.129 -0.131 0.296 183 A C -2.597 175.073 177.584 0.143 0.000 1.052 183 A CA -0.307 51.824 52.037 0.156 0.000 0.714 183 A CB 3.351 22.388 19.000 0.062 0.000 1.279 183 A HN 0.720 9.003 8.150 0.222 0.000 0.397 184 V N -0.396 119.537 119.914 0.032 0.000 2.483 184 V HA 0.552 4.682 4.120 0.016 0.000 0.295 184 V C 0.348 176.447 176.094 0.009 0.000 1.035 184 V CA -2.591 59.720 62.300 0.018 0.000 0.896 184 V CB 2.532 34.365 31.823 0.016 0.000 0.986 184 V HN 0.274 8.486 8.190 0.036 0.000 0.447 185 S N 5.583 121.282 115.700 -0.002 0.000 2.382 185 S HA -0.199 4.256 4.470 -0.025 0.000 0.228 185 S C 0.930 175.518 174.600 -0.019 0.000 1.027 185 S CA 3.322 61.511 58.200 -0.018 0.000 0.991 185 S CB -0.138 63.047 63.200 -0.024 0.000 0.823 185 S HN 0.542 8.852 8.310 -0.001 0.000 0.469 186 S N -1.797 113.898 115.700 -0.008 0.000 2.607 186 S HA -0.040 4.425 4.470 -0.009 0.000 0.224 186 S C -0.066 174.537 174.600 0.005 0.000 0.969 186 S CA -0.088 58.110 58.200 -0.004 0.000 0.927 186 S CB -0.240 62.959 63.200 -0.002 0.000 0.772 186 S HN -0.332 7.963 8.310 -0.005 0.012 0.533 187 G N 1.663 110.469 108.800 0.011 0.000 2.999 187 G HA2 -0.354 3.622 3.960 0.027 0.000 0.686 187 G HA3 -0.354 3.697 3.960 0.024 -0.077 0.686 187 G C -1.072 173.840 174.900 0.019 0.000 1.057 187 G CA -0.011 45.101 45.100 0.021 0.000 0.784 187 G HN -0.450 7.651 8.290 0.009 0.195 0.575 188 K N 0.733 121.147 120.400 0.022 0.000 5.663 188 K HA -0.519 4.040 4.320 0.019 -0.227 0.861 188 K C -1.788 174.833 176.600 0.035 0.000 2.175 188 K CA 0.365 56.666 56.287 0.024 0.000 1.596 188 K CB -0.109 32.404 32.500 0.022 0.000 2.697 188 K HN 0.052 8.317 8.250 0.025 0.000 0.196 189 D N 1.309 121.730 120.400 0.034 0.000 2.755 189 D HA 0.291 4.977 4.640 0.077 0.000 0.277 189 D C -1.874 174.449 176.300 0.039 0.000 1.261 189 D CA -0.468 53.562 54.000 0.049 0.000 0.759 189 D CB 4.067 44.887 40.800 0.034 0.000 1.279 189 D HN -0.110 8.275 8.370 0.025 0.000 0.420 190 S N -0.889 114.843 115.700 0.053 0.000 2.617 190 S HA 0.127 4.703 4.470 0.014 -0.097 0.269 190 S C -1.227 173.362 174.600 -0.018 0.000 1.292 190 S CA 0.305 58.517 58.200 0.019 0.000 1.010 190 S CB 1.052 64.277 63.200 0.041 0.000 0.944 190 S HN 0.225 8.589 8.310 0.091 0.000 0.536 191 C N 0.176 119.464 119.300 -0.019 0.000 3.259 191 C HA 0.386 4.831 4.460 -0.024 0.000 0.328 191 C C -1.056 173.920 174.990 -0.023 0.000 1.425 191 C CA -1.111 57.895 59.018 -0.019 0.000 1.465 191 C CB 3.447 31.184 27.740 -0.006 0.000 1.890 191 C HN 0.353 8.862 8.230 -0.014 -0.287 0.450 192 Q N 1.820 121.604 119.800 -0.026 0.000 2.283 192 Q HA -0.160 4.147 4.340 -0.054 0.000 0.301 192 Q C 1.422 177.400 176.000 -0.035 0.000 1.063 192 Q CA 1.949 57.727 55.803 -0.041 0.000 0.952 192 Q CB 0.092 28.807 28.738 -0.037 0.000 1.166 192 Q HN 0.814 9.070 8.270 -0.022 0.000 0.381 193 G N 5.458 114.216 108.800 -0.071 0.000 2.217 193 G HA2 -0.435 3.639 3.960 -0.111 0.000 0.246 193 G HA3 -0.435 3.527 3.960 0.002 0.000 0.246 193 G C 0.554 175.461 174.900 0.012 0.000 0.990 193 G CA 0.903 45.976 45.100 -0.045 0.000 0.627 193 G HN 0.698 8.922 8.290 -0.111 0.000 0.522 194 D N 1.415 121.820 120.400 0.007 0.000 2.348 194 D HA 0.033 4.713 4.640 0.066 0.000 0.211 194 D C 0.023 176.330 176.300 0.012 0.000 0.998 194 D CA 1.260 55.276 54.000 0.027 0.000 0.873 194 D CB 0.250 41.054 40.800 0.008 0.000 0.925 194 D HN 0.177 8.458 8.370 -0.010 0.083 0.524 195 S N -1.016 114.670 115.700 -0.022 0.000 2.558 195 S HA -0.298 4.301 4.470 0.016 -0.120 0.291 195 S C 1.211 175.777 174.600 -0.057 0.000 1.306 195 S CA 2.650 60.835 58.200 -0.025 0.000 1.056 195 S CB -0.145 63.038 63.200 -0.029 0.000 0.836 195 S HN -0.215 8.019 8.310 -0.040 0.051 0.504 196 G N 4.651 113.431 108.800 -0.034 0.000 2.284 196 G HA2 -0.444 3.570 3.960 -0.018 0.000 0.247 196 G HA3 -0.444 3.598 3.960 -0.047 -0.111 0.247 196 G C -0.136 174.801 174.900 0.061 0.000 1.012 196 G CA 0.479 45.570 45.100 -0.015 0.000 0.618 196 G HN 0.562 8.848 8.290 -0.007 0.000 0.521 197 G N 0.993 109.837 108.800 0.074 0.000 2.616 197 G HA2 0.323 4.353 3.960 0.116 0.000 0.268 197 G HA3 0.323 4.324 3.960 0.068 0.000 0.268 197 G C -2.658 172.303 174.900 0.101 0.000 1.213 197 G CA -1.964 43.190 45.100 0.090 0.000 0.926 197 G HN -0.480 7.748 8.290 0.057 0.097 0.523 198 P HA 0.287 4.971 4.420 0.198 -0.145 0.282 198 P C -1.964 175.372 177.300 0.060 0.000 1.249 198 P CA -0.997 62.190 63.100 0.145 0.000 0.806 198 P CB 1.701 33.568 31.700 0.278 0.000 0.984 199 I N 2.159 122.795 120.570 0.110 0.000 2.436 199 I HA 0.781 5.144 4.170 -0.008 -0.198 0.289 199 I C -1.773 174.407 176.117 0.106 0.000 1.010 199 I CA -2.481 58.837 61.300 0.031 0.000 1.098 199 I CB 3.205 41.107 38.000 -0.163 0.000 1.266 199 I HN -0.242 8.063 8.210 0.159 0.000 0.434 200 V N 5.241 125.221 119.914 0.111 0.000 3.417 200 V HA 0.978 5.325 4.120 0.117 -0.157 0.297 200 V C 0.027 176.159 176.094 0.064 0.000 1.271 200 V CA -3.479 58.901 62.300 0.134 0.000 1.012 200 V CB 2.550 34.520 31.823 0.246 0.000 1.241 200 V HN 0.683 8.927 8.190 0.090 0.000 0.477 201 S N -0.090 115.609 115.700 -0.002 0.000 2.575 201 S HA -0.049 4.428 4.470 0.013 0.000 0.215 201 S C 2.017 176.620 174.600 0.005 0.000 0.966 201 S CA 1.956 60.158 58.200 0.004 0.000 0.911 201 S CB -0.184 63.012 63.200 -0.006 0.000 0.780 201 S HN 0.046 8.346 8.310 -0.017 0.000 0.514 202 S N 2.327 118.030 115.700 0.005 0.000 2.556 202 S HA 0.078 4.550 4.470 0.005 0.000 0.216 202 S C -0.824 173.790 174.600 0.023 0.000 0.970 202 S CA -0.735 57.469 58.200 0.007 0.000 0.912 202 S CB -0.025 63.173 63.200 -0.003 0.000 0.790 202 S HN 0.052 8.362 8.310 0.000 0.000 0.504 203 N N -1.499 117.229 118.700 0.046 0.000 2.850 203 N HA -0.391 4.485 4.740 0.126 -0.060 0.249 203 N C -0.790 174.773 175.510 0.089 0.000 1.060 203 N CA 1.545 54.650 53.050 0.093 0.000 0.825 203 N CB -1.439 37.099 38.487 0.086 0.000 1.132 203 N HN -0.068 8.194 8.380 0.043 0.144 0.564 210 I N -1.415 119.194 120.570 0.064 0.000 4.035 210 I HA 0.424 4.605 4.170 0.018 0.000 0.321 210 I C -1.121 175.144 176.117 0.246 0.000 1.289 210 I CA -0.472 60.856 61.300 0.047 0.000 1.236 210 I CB 1.526 39.447 38.000 -0.132 0.000 1.076 210 I HN 0.129 8.392 8.210 0.088 0.000 0.418 211 G N -1.931 107.051 108.800 0.303 0.000 2.550 211 G HA2 0.311 4.600 3.960 0.349 0.000 0.293 211 G HA3 0.311 4.582 3.960 0.514 -0.003 0.293 211 G C -3.299 171.754 174.900 0.255 0.000 1.402 211 G CA 0.275 45.598 45.100 0.373 0.000 0.784 211 G HN -0.686 7.741 8.290 0.230 0.000 0.482 212 A N -1.954 121.007 122.820 0.235 0.000 2.386 212 A HA 1.001 5.651 4.320 0.202 -0.208 0.311 212 A C -1.039 176.671 177.584 0.210 0.000 1.068 212 A CA -2.648 49.508 52.037 0.198 0.000 0.743 212 A CB 3.641 22.720 19.000 0.132 0.000 1.258 212 A HN -0.085 8.199 8.150 0.224 0.000 0.429 213 V N 0.819 120.844 119.914 0.185 0.000 2.557 213 V HA -0.265 3.720 4.120 -0.226 0.000 0.301 213 V C -0.417 175.649 176.094 -0.046 0.000 1.026 213 V CA 2.056 64.346 62.300 -0.017 0.000 1.137 213 V CB -1.281 30.553 31.823 0.019 0.000 0.917 213 V HN 0.056 8.358 8.190 0.186 0.000 0.484 214 S N 7.017 122.604 115.700 -0.189 0.000 3.526 214 S HA 0.255 4.876 4.470 0.251 0.000 0.222 214 S C -1.025 173.638 174.600 0.105 0.000 1.001 214 S CA 0.520 58.766 58.200 0.076 0.000 0.831 214 S CB 2.742 66.011 63.200 0.116 0.000 0.941 214 S HN 0.019 8.039 8.310 -0.482 0.000 0.585 215 W N -4.099 117.018 121.300 -0.305 0.000 2.959 215 W HA 0.207 4.710 4.660 -0.262 0.000 0.358 215 W C -2.873 173.480 176.519 -0.277 0.000 1.228 215 W CA -0.641 56.534 57.345 -0.283 0.000 1.183 215 W CB 0.662 29.955 29.460 -0.279 0.000 1.467 215 W HN -0.150 7.784 8.180 -0.410 0.000 0.578 216 G N -2.922 105.854 108.800 -0.040 0.000 2.356 216 G HA2 -0.088 3.550 3.960 -0.536 0.000 0.294 216 G HA3 -0.088 3.751 3.960 -0.201 0.000 0.294 216 G C -2.499 172.495 174.900 0.157 0.000 1.423 216 G CA 0.275 45.271 45.100 -0.173 0.000 0.806 216 G HN -0.015 8.415 8.290 0.233 0.000 0.527 220 C N 4.036 123.332 119.300 -0.005 0.000 3.206 220 C HA 0.301 4.887 4.460 -0.002 -0.127 0.206 220 C C -1.906 173.094 174.990 0.017 0.000 1.836 220 C CA -0.385 58.634 59.018 0.001 0.000 1.382 220 C CB -1.683 26.054 27.740 -0.005 0.000 2.405 220 C HN 0.179 8.895 8.230 -0.006 -0.489 0.516 221 R N 0.079 120.619 120.500 0.066 0.000 3.466 221 R HA 0.227 4.606 4.340 0.064 0.000 0.262 221 R C -3.054 173.301 176.300 0.093 0.000 0.997 221 R CA -1.213 54.941 56.100 0.090 0.000 0.978 221 R CB 1.041 31.420 30.300 0.131 0.000 1.256 221 R HN 0.328 8.640 8.270 0.071 0.000 0.536 222 P HA -0.148 4.413 4.420 0.005 -0.138 0.266 222 P C -0.302 176.980 177.300 -0.030 0.000 1.195 222 P CA 0.419 63.529 63.100 0.016 0.000 0.768 222 P CB 0.141 31.843 31.700 0.005 0.000 0.838 223 N N -4.010 114.621 118.700 -0.116 0.000 2.753 223 N HA -0.481 4.112 4.740 -0.244 0.000 0.251 223 N C -1.763 173.366 175.510 -0.636 0.000 1.097 223 N CA 2.032 54.895 53.050 -0.312 0.000 0.786 223 N CB -0.995 37.278 38.487 -0.357 0.000 1.137 223 N HN 0.320 8.654 8.380 -0.077 0.000 0.566 224 Y N -1.983 118.246 120.300 -0.119 0.000 2.445 224 Y HA 0.006 4.354 4.550 -0.337 0.000 0.332 224 Y C -1.185 174.716 175.900 0.002 0.000 1.037 224 Y CA -1.134 56.858 58.100 -0.181 0.000 1.296 224 Y CB 0.531 38.867 38.460 -0.207 0.000 1.099 224 Y HN -0.858 7.346 8.280 -0.015 0.067 0.496 225 S N 2.959 118.767 115.700 0.181 0.000 2.576 225 S HA -0.099 4.429 4.470 0.097 0.000 0.272 225 S C 0.227 174.873 174.600 0.077 0.000 1.352 225 S CA 1.412 59.694 58.200 0.137 0.000 1.021 225 S CB 0.769 64.041 63.200 0.121 0.000 0.887 225 S HN -0.110 8.593 8.310 0.154 -0.301 0.542 226 G N 0.236 109.038 108.800 0.005 0.000 2.483 226 G HA2 0.264 4.045 3.960 -0.297 0.000 0.248 226 G HA3 0.264 4.243 3.960 -0.169 -0.121 0.248 226 G C -2.054 172.597 174.900 -0.416 0.000 1.248 226 G CA -0.200 44.769 45.100 -0.218 0.000 0.838 226 G HN -0.162 8.168 8.290 0.067 0.000 0.566 227 V N 2.565 121.944 119.914 -0.890 0.000 2.495 227 V HA 0.543 4.422 4.120 -0.641 -0.144 0.298 227 V C -1.024 174.444 176.094 -1.042 0.000 1.031 227 V CA -2.233 59.480 62.300 -0.979 0.000 0.871 227 V CB 1.810 32.646 31.823 -1.646 0.000 0.988 227 V HN 0.160 7.783 8.190 -0.944 0.000 0.432 228 Y N 4.470 124.399 120.300 -0.619 0.000 2.462 228 Y HA 0.382 4.838 4.550 -0.356 -0.120 0.346 228 Y C -1.314 174.346 175.900 -0.400 0.000 0.976 228 Y CA -2.055 55.695 58.100 -0.584 0.000 1.044 228 Y CB 4.206 42.013 38.460 -1.089 0.000 1.230 228 Y HN 0.699 8.659 8.280 -0.533 0.000 0.455 229 A N 2.379 125.191 122.820 -0.013 0.000 2.409 229 A HA 0.273 4.768 4.320 0.081 -0.126 0.262 229 A C -1.100 176.595 177.584 0.184 0.000 1.113 229 A CA -0.921 51.167 52.037 0.085 0.000 0.790 229 A CB 0.575 19.639 19.000 0.107 0.000 1.046 229 A HN 0.436 8.594 8.150 0.013 0.000 0.496 230 S N 3.947 119.796 115.700 0.248 0.000 2.439 230 S HA 0.218 5.170 4.470 0.582 -0.133 0.282 230 S C 1.012 175.750 174.600 0.230 0.000 1.170 230 S CA -2.090 56.334 58.200 0.374 0.000 1.054 230 S CB 0.693 64.105 63.200 0.352 0.000 0.956 230 S HN -0.071 8.353 8.310 0.191 0.000 0.490 231 V N 8.204 128.251 119.914 0.222 0.000 2.343 231 V HA -0.379 3.839 4.120 0.164 0.000 0.247 231 V C 1.975 178.139 176.094 0.116 0.000 1.051 231 V CA 3.349 65.741 62.300 0.153 0.000 1.036 231 V CB -0.478 31.417 31.823 0.119 0.000 0.654 231 V HN 0.366 8.721 8.190 0.275 0.000 0.451 232 G N -1.161 107.691 108.800 0.085 0.000 2.469 232 G HA2 -0.327 3.781 3.960 0.045 0.000 0.219 232 G HA3 -0.327 3.790 3.960 0.031 -0.138 0.219 232 G C 0.109 175.054 174.900 0.075 0.000 1.150 232 G CA 2.158 47.291 45.100 0.055 0.000 0.763 232 G HN 0.051 8.390 8.290 0.083 0.000 0.561 233 A N -0.546 122.331 122.820 0.095 0.000 2.066 233 A HA -0.041 4.326 4.320 0.078 0.000 0.218 233 A C 0.295 177.944 177.584 0.109 0.000 1.157 233 A CA 1.595 53.686 52.037 0.091 0.000 0.670 233 A CB 0.189 19.243 19.000 0.089 0.000 0.804 233 A HN -0.665 7.536 8.150 0.110 0.015 0.453 234 L N -4.427 116.881 121.223 0.142 0.000 3.014 234 L HA 0.291 4.770 4.340 0.232 0.000 0.263 234 L C -0.102 176.933 176.870 0.275 0.000 1.207 234 L CA -1.187 53.785 54.840 0.220 0.000 1.017 234 L CB -0.267 41.906 42.059 0.192 0.000 1.360 234 L HN -0.760 7.398 8.230 0.140 0.156 0.560 235 R N 0.943 121.548 120.500 0.174 0.000 2.115 235 R HA -0.341 4.073 4.340 0.124 0.000 0.230 235 R C 1.280 177.652 176.300 0.120 0.000 1.111 235 R CA 2.766 58.942 56.100 0.127 0.000 0.976 235 R CB -0.684 29.660 30.300 0.074 0.000 0.870 235 R HN -0.762 7.526 8.270 0.145 0.068 0.445 236 S N -1.006 114.779 115.700 0.143 0.000 2.368 236 S HA -0.303 4.198 4.470 0.052 0.000 0.225 236 S C 1.747 176.421 174.600 0.124 0.000 1.030 236 S CA 3.886 62.148 58.200 0.105 0.000 0.999 236 S CB -0.683 62.581 63.200 0.108 0.000 0.844 236 S HN 0.210 8.615 8.310 0.158 0.000 0.459 237 F N 3.618 123.624 119.950 0.094 0.000 2.095 237 F HA -0.291 4.273 4.527 0.062 0.000 0.298 237 F C 1.113 176.995 175.800 0.137 0.000 1.104 237 F CA 2.849 60.915 58.000 0.111 0.000 1.232 237 F CB -0.101 39.001 39.000 0.170 0.000 0.987 237 F HN -0.891 7.657 8.300 0.413 0.000 0.475 238 I N -1.301 119.224 120.570 -0.075 0.000 2.127 238 I HA -0.715 3.222 4.170 -0.390 0.000 0.241 238 I C 1.705 177.711 176.117 -0.184 0.000 1.075 238 I CA 4.260 65.445 61.300 -0.192 0.000 1.334 238 I CB -0.429 37.572 38.000 0.001 0.000 1.040 238 I HN -0.713 7.617 8.210 0.199 0.000 0.405 239 D N -0.911 119.423 120.400 -0.111 0.000 2.178 239 D HA -0.184 4.393 4.640 -0.105 0.000 0.202 239 D C 2.300 178.489 176.300 -0.185 0.000 0.974 239 D CA 2.933 56.864 54.000 -0.116 0.000 0.841 239 D CB -0.525 40.233 40.800 -0.070 0.000 0.953 239 D HN -0.151 8.184 8.370 -0.058 0.000 0.478 240 T N -0.046 114.344 114.554 -0.273 0.000 2.746 240 T HA -0.265 3.867 4.350 -0.363 0.000 0.267 240 T C 0.634 174.983 174.700 -0.584 0.000 1.039 240 T CA 3.331 65.144 62.100 -0.477 0.000 1.142 240 T CB 0.437 68.875 68.868 -0.717 0.000 0.866 240 T HN -0.436 7.637 8.240 -0.238 0.024 0.444 241 Y N -2.893 117.251 120.300 -0.260 0.000 2.462 241 Y HA 0.024 4.472 4.550 -0.170 0.000 0.253 241 Y C -1.066 174.713 175.900 -0.202 0.000 1.095 241 Y CA 0.220 58.176 58.100 -0.241 0.000 1.283 241 Y CB 1.085 39.342 38.460 -0.339 0.000 1.138 241 Y HN -0.876 7.182 8.280 -0.330 0.024 0.522 242 A N 0.000 122.767 122.820 -0.088 0.000 2.254 242 A HA 0.000 4.273 4.320 -0.078 0.000 0.244 242 A CA 0.000 51.984 52.037 -0.088 0.000 0.836 242 A CB 0.000 18.938 19.000 -0.103 0.000 0.831 242 A HN 0.000 8.070 8.150 -0.133 0.000 0.486