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 1fn8_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 4.163 4.170 -0.011 0.000 0.288 16 I C 0.000 176.114 176.117 -0.006 0.000 1.063 16 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 16 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 17 V N 5.236 125.151 119.914 0.002 0.000 2.427 17 V HA 0.212 4.335 4.120 0.006 0.000 0.286 17 V C 0.772 176.871 176.094 0.007 0.000 1.034 17 V CA -1.822 60.482 62.300 0.007 0.000 0.893 17 V CB 0.721 32.550 31.823 0.011 0.000 0.982 17 V HN 0.707 8.900 8.190 0.005 0.000 0.452 18 G N 7.114 115.918 108.800 0.006 0.000 2.143 18 G HA2 -0.381 3.583 3.960 0.007 0.000 0.248 18 G HA3 -0.381 3.759 3.960 0.009 -0.175 0.248 18 G C -0.826 174.076 174.900 0.004 0.000 0.991 18 G CA 0.409 45.513 45.100 0.007 0.000 0.689 18 G HN 0.761 9.055 8.290 0.006 0.000 0.522 19 G N -2.351 106.448 108.800 -0.001 0.000 2.568 19 G HA2 0.357 4.352 3.960 -0.001 0.000 0.293 19 G HA3 0.357 4.355 3.960 -0.014 -0.047 0.293 19 G C -1.729 173.168 174.900 -0.005 0.000 1.347 19 G CA -0.939 44.158 45.100 -0.005 0.000 1.039 19 G HN -0.480 7.776 8.290 -0.003 0.033 0.523 20 T N -1.575 112.975 114.554 -0.007 0.000 2.901 20 T HA 0.293 4.640 4.350 -0.006 0.000 0.293 20 T C -0.863 173.829 174.700 -0.013 0.000 1.084 20 T CA -2.052 60.045 62.100 -0.006 0.000 1.008 20 T CB 1.231 70.100 68.868 0.000 0.000 1.170 20 T HN 0.354 8.590 8.240 -0.006 0.000 0.509 21 S N 3.925 119.618 115.700 -0.012 0.000 2.537 21 S HA -0.145 4.307 4.470 -0.029 0.000 0.286 21 S C -0.440 174.152 174.600 -0.014 0.000 1.299 21 S CA 1.160 59.350 58.200 -0.018 0.000 1.067 21 S CB 0.415 63.610 63.200 -0.009 0.000 0.864 21 S HN 0.165 8.470 8.310 -0.008 0.000 0.494 22 A N 6.192 129.001 122.820 -0.018 0.000 2.386 22 A HA -0.071 4.452 4.320 0.011 -0.197 0.248 22 A C -0.367 177.204 177.584 -0.023 0.000 1.082 22 A CA -0.047 51.991 52.037 0.002 0.000 0.789 22 A CB 0.981 20.010 19.000 0.048 0.000 1.025 22 A HN -0.036 8.089 8.150 -0.042 0.000 0.490 23 S N 2.133 117.802 115.700 -0.052 0.000 2.646 23 S HA 0.127 4.578 4.470 -0.032 0.000 0.276 23 S C -0.459 174.108 174.600 -0.055 0.000 1.222 23 S CA -0.419 57.750 58.200 -0.052 0.000 1.014 23 S CB 1.900 65.060 63.200 -0.067 0.000 0.991 23 S HN 0.417 9.406 8.310 -0.078 -0.725 0.533 24 A N 2.165 124.965 122.820 -0.032 0.000 2.548 24 A HA -0.194 4.121 4.320 -0.009 0.000 0.247 24 A C 0.762 178.314 177.584 -0.053 0.000 1.067 24 A CA 1.894 53.917 52.037 -0.024 0.000 0.757 24 A CB -0.564 18.430 19.000 -0.010 0.000 0.996 24 A HN 0.351 8.486 8.150 -0.024 0.000 0.504 25 G N 3.790 112.556 108.800 -0.058 0.000 2.148 25 G HA2 -0.385 3.540 3.960 -0.060 0.000 0.254 25 G HA3 -0.385 3.531 3.960 -0.074 0.000 0.254 25 G C -0.062 174.733 174.900 -0.173 0.000 0.981 25 G CA 0.438 45.487 45.100 -0.084 0.000 0.670 25 G HN 0.266 8.535 8.290 -0.035 0.000 0.528 26 D N 0.445 120.678 120.400 -0.279 0.000 2.144 26 D HA -0.225 4.093 4.640 -0.537 0.000 0.199 26 D C -0.435 175.295 176.300 -0.950 0.000 0.984 26 D CA 2.783 56.403 54.000 -0.634 0.000 0.834 26 D CB 0.491 40.811 40.800 -0.800 0.000 0.955 26 D HN -0.137 8.106 8.370 -0.212 0.000 0.465 27 F N -6.696 113.150 119.950 -0.174 0.000 2.708 27 F HA 0.397 4.726 4.527 -0.331 0.000 0.344 27 F C -2.357 173.202 175.800 -0.401 0.000 1.447 27 F CA -2.841 54.938 58.000 -0.368 0.000 1.140 27 F CB 0.003 38.693 39.000 -0.516 0.000 1.657 27 F HN -0.498 7.664 8.300 -0.231 0.000 0.598 28 P HA -0.076 4.443 4.420 0.001 -0.098 0.223 28 P C 0.420 177.765 177.300 0.075 0.000 1.144 28 P CA 1.617 64.723 63.100 0.011 0.000 0.783 28 P CB -0.033 31.693 31.700 0.043 0.000 0.771 29 F N -6.921 113.118 119.950 0.149 0.000 2.765 29 F HA 0.422 5.221 4.527 0.154 -0.180 0.302 29 F C -0.482 175.429 175.800 0.186 0.000 1.111 29 F CA -2.415 55.685 58.000 0.166 0.000 1.359 29 F CB -0.524 38.582 39.000 0.176 0.000 1.097 29 F HN -0.466 7.655 8.300 -0.130 0.101 0.577 30 I N 2.045 122.486 120.570 -0.215 0.000 2.634 30 I HA 0.189 4.522 4.170 0.030 -0.145 0.284 30 I C -0.888 175.347 176.117 0.196 0.000 1.124 30 I CA 0.108 61.392 61.300 -0.027 0.000 1.417 30 I CB 1.733 39.655 38.000 -0.129 0.000 1.396 30 I HN -0.132 7.710 8.210 -0.335 0.167 0.571 31 V N 3.512 123.572 119.914 0.243 0.000 2.823 31 V HA 0.898 5.274 4.120 0.190 -0.142 0.312 31 V C -1.294 174.910 176.094 0.182 0.000 1.072 31 V CA -3.249 59.169 62.300 0.198 0.000 0.937 31 V CB 3.313 35.217 31.823 0.136 0.000 1.013 31 V HN 0.262 8.594 8.190 0.237 0.000 0.430 32 S N 1.989 117.604 115.700 -0.140 0.000 2.585 32 S HA 0.337 4.654 4.470 -0.254 0.000 0.277 32 S C -0.829 173.683 174.600 -0.148 0.000 1.241 32 S CA -1.431 56.509 58.200 -0.434 0.000 1.041 32 S CB 1.609 64.047 63.200 -1.271 0.000 0.987 32 S HN 0.044 8.259 8.310 -0.157 0.000 0.512 33 I N 3.171 123.720 120.570 -0.035 0.000 2.439 33 I HA 0.599 5.009 4.170 0.076 -0.194 0.283 33 I C -0.724 175.496 176.117 0.171 0.000 1.023 33 I CA -0.975 60.386 61.300 0.101 0.000 1.100 33 I CB 2.042 40.150 38.000 0.179 0.000 1.238 33 I HN 0.396 8.587 8.210 -0.032 0.000 0.445 34 S N 6.690 122.458 115.700 0.114 0.000 2.646 34 S HA 0.828 5.496 4.470 0.141 -0.114 0.276 34 S C -1.203 173.434 174.600 0.062 0.000 1.222 34 S CA -1.110 57.146 58.200 0.093 0.000 1.014 34 S CB 2.448 65.644 63.200 -0.006 0.000 0.991 34 S HN 0.464 8.819 8.310 0.074 0.000 0.533 38 G N -0.469 108.256 108.800 -0.125 0.000 2.179 38 G HA2 -0.290 3.629 3.960 -0.068 0.000 0.260 38 G HA3 -0.290 3.628 3.960 -0.068 0.000 0.260 38 G C -0.763 174.108 174.900 -0.048 0.000 0.977 38 G CA 0.724 45.779 45.100 -0.075 0.000 0.641 38 G HN 0.321 8.489 8.290 -0.146 0.035 0.533 39 G N -0.227 108.551 108.800 -0.037 0.000 2.489 39 G HA2 0.518 4.483 3.960 0.009 0.000 0.327 39 G HA3 0.518 4.492 3.960 0.025 0.000 0.327 39 G C -2.992 171.950 174.900 0.071 0.000 1.189 39 G CA -2.577 42.532 45.100 0.014 0.000 0.962 39 G HN -0.553 7.627 8.290 -0.066 0.071 0.486 40 P HA -0.165 4.305 4.420 0.083 0.000 0.269 40 P C -1.916 175.567 177.300 0.306 0.000 1.209 40 P CA 0.388 63.566 63.100 0.130 0.000 0.776 40 P CB 1.114 32.870 31.700 0.094 0.000 0.876 41 W N 1.806 123.125 121.300 0.031 0.000 5.371 41 W HA 0.178 4.879 4.660 0.069 0.000 0.169 41 W C -1.660 174.911 176.519 0.087 0.000 1.184 41 W CA 0.478 57.866 57.345 0.072 0.000 1.946 41 W CB 2.002 31.526 29.460 0.107 0.000 0.602 41 W HN -0.023 8.310 8.180 0.255 0.000 1.086 42 C N -6.199 113.187 119.300 0.144 0.000 3.276 42 C HA 0.878 5.489 4.460 -0.039 -0.175 0.370 42 C C -1.748 173.313 174.990 0.118 0.000 1.624 42 C CA -1.951 57.074 59.018 0.011 0.000 1.179 42 C CB 2.527 30.196 27.740 -0.118 0.000 1.909 42 C HN -0.016 8.375 8.230 0.268 0.000 0.434 43 G N -1.923 106.949 108.800 0.120 0.000 2.735 43 G HA2 0.861 5.082 3.960 0.233 0.000 0.301 43 G HA3 0.861 4.966 3.960 0.241 0.000 0.301 43 G C -2.530 172.448 174.900 0.129 0.000 1.279 43 G CA -1.790 43.427 45.100 0.195 0.000 1.019 43 G HN 0.417 8.748 8.290 0.067 0.000 0.497 44 G N -3.751 105.147 108.800 0.162 0.000 2.548 44 G HA2 0.540 4.843 3.960 0.125 0.000 0.301 44 G HA3 0.540 4.571 3.960 0.119 0.000 0.301 44 G C -2.862 172.166 174.900 0.213 0.000 1.349 44 G CA 0.239 45.426 45.100 0.145 0.000 0.792 44 G HN -0.207 8.208 8.290 0.210 0.000 0.481 45 S N -0.539 115.304 115.700 0.239 0.000 2.594 45 S HA 0.550 5.476 4.470 0.534 -0.136 0.296 45 S C -1.503 173.271 174.600 0.289 0.000 1.124 45 S CA -0.560 57.876 58.200 0.394 0.000 1.011 45 S CB 3.213 66.645 63.200 0.386 0.000 1.016 45 S HN 0.263 8.682 8.310 0.183 0.000 0.485 46 L N 6.572 128.017 121.223 0.370 0.000 2.369 46 L HA 0.150 4.738 4.340 0.191 -0.133 0.279 46 L C -0.836 176.167 176.870 0.222 0.000 1.108 46 L CA -0.283 54.727 54.840 0.282 0.000 0.852 46 L CB 0.367 42.650 42.059 0.374 0.000 1.169 46 L HN 0.671 9.198 8.230 0.494 0.000 0.452 47 L N 5.863 127.110 121.223 0.041 0.000 2.249 47 L HA -0.051 4.266 4.340 -0.039 0.000 0.207 47 L C 0.032 176.722 176.870 -0.299 0.000 1.090 47 L CA 1.160 55.956 54.840 -0.073 0.000 0.802 47 L CB 0.436 42.444 42.059 -0.085 0.000 0.947 47 L HN 0.520 8.765 8.230 0.025 0.000 0.453 48 N N -5.729 112.650 118.700 -0.536 0.000 3.339 48 N HA 0.047 3.511 4.740 -2.126 0.000 0.275 48 N C -0.895 174.176 175.510 -0.731 0.000 1.514 48 N CA -0.397 52.012 53.050 -1.070 0.000 0.879 48 N CB 0.872 39.044 38.487 -0.525 0.000 1.557 48 N HN -0.911 7.274 8.380 -0.325 0.000 0.524 49 A N -3.194 119.325 122.820 -0.503 0.000 2.019 49 A HA -0.058 4.521 4.320 0.126 -0.184 0.219 49 A C 0.362 177.934 177.584 -0.020 0.000 1.164 49 A CA 2.423 54.427 52.037 -0.056 0.000 0.644 49 A CB 0.083 19.114 19.000 0.051 0.000 0.805 49 A HN 0.443 8.285 8.150 -0.514 0.000 0.449 50 N N -6.916 111.742 118.700 -0.070 0.000 2.291 50 N HA 0.159 4.897 4.740 -0.003 0.000 0.244 50 N C -1.807 173.681 175.510 -0.035 0.000 1.216 50 N CA -1.245 51.787 53.050 -0.030 0.000 0.879 50 N CB 1.427 39.901 38.487 -0.022 0.000 1.167 50 N HN -0.420 8.082 8.380 -0.123 -0.196 0.515 51 T N 2.506 117.028 114.554 -0.053 0.000 2.971 51 T HA 0.643 5.189 4.350 -0.031 -0.215 0.304 51 T C -2.148 172.544 174.700 -0.013 0.000 1.038 51 T CA 0.120 62.194 62.100 -0.044 0.000 1.007 51 T CB 3.368 72.189 68.868 -0.078 0.000 1.055 51 T HN -0.663 7.535 8.240 -0.070 0.000 0.451 52 V N 6.166 126.084 119.914 0.007 0.000 2.555 52 V HA 0.652 4.992 4.120 0.063 -0.182 0.302 52 V C -2.430 173.681 176.094 0.029 0.000 1.038 52 V CA -1.917 60.406 62.300 0.039 0.000 0.887 52 V CB 3.816 35.668 31.823 0.048 0.000 0.991 52 V HN 0.691 8.879 8.190 -0.004 0.000 0.434 53 L N 7.400 128.657 121.223 0.056 0.000 2.275 53 L HA 0.812 5.353 4.340 0.056 -0.167 0.288 53 L C -1.876 175.035 176.870 0.068 0.000 1.046 53 L CA -1.378 53.500 54.840 0.064 0.000 0.805 53 L CB 2.230 44.335 42.059 0.076 0.000 1.193 53 L HN 0.527 8.803 8.230 0.077 0.000 0.426 54 T N 5.450 120.027 114.554 0.039 0.000 2.696 54 T HA 0.517 5.059 4.350 0.032 -0.173 0.291 54 T C -1.975 172.709 174.700 -0.027 0.000 1.095 54 T CA -3.130 58.972 62.100 0.003 0.000 1.026 54 T CB 2.210 71.054 68.868 -0.041 0.000 1.390 54 T HN 0.276 8.539 8.240 0.038 0.000 0.513 55 A N 0.017 122.776 122.820 -0.103 0.000 2.388 55 A HA 0.351 4.832 4.320 -0.073 -0.206 0.257 55 A C 0.429 177.857 177.584 -0.260 0.000 1.095 55 A CA -0.719 51.223 52.037 -0.160 0.000 0.791 55 A CB 1.045 19.889 19.000 -0.259 0.000 1.029 55 A HN 0.418 8.497 8.150 -0.118 0.000 0.489 56 A N 4.308 126.945 122.820 -0.304 0.000 1.940 56 A HA -0.345 3.729 4.320 -0.410 0.000 0.219 56 A C 1.055 178.353 177.584 -0.477 0.000 1.176 56 A CA 3.224 54.928 52.037 -0.555 0.000 0.631 56 A CB -0.249 18.040 19.000 -1.184 0.000 0.814 56 A HN 0.432 8.426 8.150 -0.236 0.014 0.446 57 H N -5.456 113.452 119.070 -0.270 0.000 2.521 57 H HA -0.105 4.473 4.556 0.036 0.000 0.286 57 H C -0.704 174.664 175.328 0.066 0.000 1.034 57 H CA 0.872 56.914 56.048 -0.010 0.000 1.278 57 H CB -1.203 28.621 29.762 0.104 0.000 1.386 57 H HN -0.197 8.255 8.280 -0.171 -0.275 0.567 58 C N 2.166 121.238 119.300 -0.381 0.000 2.663 58 C HA -0.079 4.405 4.460 0.039 0.000 0.379 58 C C 0.270 175.403 174.990 0.238 0.000 1.255 58 C CA -0.251 58.737 59.018 -0.051 0.000 1.503 58 C CB -3.258 24.377 27.740 -0.176 0.000 2.187 58 C HN -0.609 7.142 8.230 -0.560 0.143 0.580 59 A N 6.629 129.468 122.820 0.030 0.000 2.512 59 A HA -0.299 4.043 4.320 0.037 0.000 0.276 59 A C 0.813 178.451 177.584 0.090 0.000 0.917 59 A CA 1.157 53.205 52.037 0.019 0.000 1.061 59 A CB 0.423 19.388 19.000 -0.058 0.000 0.761 59 A HN 0.520 8.655 8.150 -0.025 0.000 0.396 60 Q N 3.402 123.290 119.800 0.146 0.000 2.224 60 Q HA -0.265 4.358 4.340 0.471 0.000 0.203 60 Q C 1.621 177.733 176.000 0.188 0.000 0.970 60 Q CA 2.292 58.251 55.803 0.262 0.000 0.865 60 Q CB -0.271 28.554 28.738 0.146 0.000 0.922 60 Q HN 0.666 8.995 8.270 0.098 0.000 0.445 61 S N -0.976 114.747 115.700 0.039 0.000 2.469 61 S HA -0.188 4.289 4.470 0.012 0.000 0.238 61 S C 1.158 175.696 174.600 -0.104 0.000 0.998 61 S CA 1.964 60.154 58.200 -0.017 0.000 0.957 61 S CB -0.392 62.786 63.200 -0.037 0.000 0.764 61 S HN 0.045 8.339 8.310 0.024 0.030 0.514 62 G N -0.581 108.062 108.800 -0.262 0.000 2.598 62 G HA2 -0.060 3.693 3.960 -0.345 0.000 0.215 62 G HA3 -0.060 3.490 3.960 -0.683 0.000 0.215 62 G C -0.582 173.986 174.900 -0.554 0.000 1.131 62 G CA 0.602 45.410 45.100 -0.488 0.000 0.785 62 G HN -0.709 7.390 8.290 -0.246 0.044 0.539 63 F N -0.158 119.730 119.950 -0.104 0.000 2.397 63 F HA 0.816 5.518 4.527 -0.101 -0.236 0.331 63 F C -1.188 174.581 175.800 -0.051 0.000 1.090 63 F CA -0.785 57.166 58.000 -0.082 0.000 1.065 63 F CB 2.197 41.164 39.000 -0.055 0.000 1.184 63 F HN -0.728 7.475 8.300 -0.058 0.062 0.499 64 Q N 0.253 120.138 119.800 0.143 0.000 3.093 64 Q HA 0.780 5.304 4.340 0.077 -0.138 0.330 64 Q C -1.870 174.174 176.000 0.073 0.000 0.947 64 Q CA -1.660 54.188 55.803 0.075 0.000 0.801 64 Q CB 4.870 33.618 28.738 0.016 0.000 1.470 64 Q HN 0.139 8.503 8.270 0.157 0.000 0.498 65 R N -2.025 118.463 120.500 -0.020 0.000 3.070 65 R HA 0.213 4.735 4.340 -0.001 -0.183 0.249 65 R C -2.964 173.343 176.300 0.012 0.000 1.124 65 R CA 0.665 56.751 56.100 -0.025 0.000 1.111 65 R CB 3.128 33.377 30.300 -0.086 0.000 1.268 65 R HN 0.529 8.778 8.270 -0.036 0.000 0.466 70 S N -1.064 114.710 115.700 0.124 0.000 2.540 70 S HA 0.212 4.745 4.470 0.106 0.000 0.275 70 S C -0.084 174.658 174.600 0.236 0.000 1.123 70 S CA -0.873 57.408 58.200 0.135 0.000 0.907 70 S CB 1.433 64.691 63.200 0.097 0.000 1.081 70 S HN -0.537 7.864 8.310 0.152 0.000 0.476 71 L N 3.461 124.806 121.223 0.204 0.000 2.201 71 L HA -0.026 4.482 4.340 0.280 0.000 0.212 71 L C 0.208 177.340 176.870 0.437 0.000 1.105 71 L CA 0.985 55.983 54.840 0.263 0.000 0.775 71 L CB 0.272 42.415 42.059 0.141 0.000 0.913 71 L HN 0.395 8.713 8.230 0.146 0.000 0.440 72 S N -2.893 112.983 115.700 0.294 0.000 2.562 72 S HA 0.168 5.117 4.470 0.326 -0.284 0.275 72 S C 0.522 175.152 174.600 0.050 0.000 1.281 72 S CA -0.987 57.352 58.200 0.232 0.000 1.045 72 S CB 1.349 64.612 63.200 0.107 0.000 0.962 72 S HN -0.723 7.679 8.310 0.208 0.033 0.503 73 R N 3.514 123.883 120.500 -0.218 0.000 2.275 73 R HA 0.127 4.022 4.340 -0.741 0.000 0.199 73 R C 1.672 177.807 176.300 -0.274 0.000 0.989 73 R CA 1.427 57.161 56.100 -0.609 0.000 1.016 73 R CB 0.539 30.220 30.300 -1.031 0.000 0.918 73 R HN 0.091 8.317 8.270 -0.073 0.000 0.473 74 T N -4.815 109.665 114.554 -0.124 0.000 3.015 74 T HA 0.092 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 0.303 62.360 62.100 -0.072 0.000 1.066 74 T CB 1.103 69.952 68.868 -0.031 0.000 0.959 74 T HN -0.178 7.958 8.240 -0.082 0.054 0.488 75 S N 0.591 116.275 115.700 -0.027 0.000 2.570 75 S HA 0.163 4.627 4.470 -0.011 0.000 0.270 75 S C -1.556 173.049 174.600 0.007 0.000 1.149 75 S CA -0.064 58.132 58.200 -0.006 0.000 0.837 75 S CB 2.962 66.166 63.200 0.007 0.000 1.124 75 S HN -0.858 7.435 8.310 -0.028 0.000 0.465 81 I N 2.265 122.854 120.570 0.032 0.000 2.545 81 I HA 0.317 4.502 4.170 0.026 0.000 0.292 81 I C -0.908 175.226 176.117 0.029 0.000 1.040 81 I CA -0.551 60.768 61.300 0.031 0.000 1.068 81 I CB 2.825 40.850 38.000 0.042 0.000 1.251 81 I HN 0.271 8.503 8.210 0.038 0.000 0.424 82 T N 2.885 117.452 114.554 0.022 0.000 2.950 82 T HA 0.364 4.919 4.350 0.019 -0.193 0.288 82 T C -1.120 173.595 174.700 0.025 0.000 1.035 82 T CA -2.009 60.102 62.100 0.018 0.000 1.028 82 T CB 1.804 70.675 68.868 0.006 0.000 1.109 82 T HN 0.177 8.429 8.240 0.020 0.000 0.514 83 S N 1.189 116.906 115.700 0.028 0.000 2.537 83 S HA 0.308 4.794 4.470 0.026 0.000 0.270 83 S C -1.913 172.707 174.600 0.033 0.000 1.142 83 S CA -1.119 57.099 58.200 0.030 0.000 0.870 83 S CB 1.938 65.160 63.200 0.036 0.000 1.112 83 S HN 0.105 8.431 8.310 0.027 0.000 0.466 84 S N 3.982 119.700 115.700 0.030 0.000 2.661 84 S HA 0.220 4.720 4.470 0.051 0.000 0.265 84 S C -0.371 174.254 174.600 0.042 0.000 1.225 84 S CA 0.001 58.224 58.200 0.039 0.000 0.986 84 S CB 1.377 64.593 63.200 0.027 0.000 1.008 84 S HN 0.380 8.705 8.310 0.025 0.000 0.565 85 L N -0.733 120.522 121.223 0.054 0.000 2.322 85 L HA 0.285 4.770 4.340 0.027 -0.128 0.279 85 L C 0.174 177.061 176.870 0.028 0.000 1.036 85 L CA -0.471 54.393 54.840 0.039 0.000 0.807 85 L CB 1.123 43.211 42.059 0.048 0.000 1.226 85 L HN 0.548 8.818 8.230 0.067 0.000 0.433 86 S N 2.886 118.594 115.700 0.014 0.000 2.456 86 S HA 0.027 4.505 4.470 0.012 0.000 0.224 86 S C -0.219 174.383 174.600 0.004 0.000 1.035 86 S CA 0.907 59.112 58.200 0.009 0.000 0.940 86 S CB 0.951 64.154 63.200 0.005 0.000 0.799 86 S HN 0.664 8.874 8.310 0.010 0.106 0.508 87 S N -2.496 113.201 115.700 -0.004 0.000 2.587 87 S HA 0.178 4.794 4.470 -0.007 -0.150 0.269 87 S C -2.253 172.330 174.600 -0.029 0.000 1.154 87 S CA -0.371 57.821 58.200 -0.013 0.000 0.824 87 S CB 2.479 65.668 63.200 -0.018 0.000 1.118 87 S HN -0.754 7.553 8.310 -0.006 0.000 0.462 88 V N 0.104 119.996 119.914 -0.036 0.000 2.686 88 V HA 0.562 4.786 4.120 -0.059 -0.139 0.306 88 V C -0.819 175.246 176.094 -0.048 0.000 1.065 88 V CA -0.870 61.399 62.300 -0.052 0.000 0.894 88 V CB 2.996 34.779 31.823 -0.066 0.000 1.004 88 V HN 0.232 8.404 8.190 -0.030 0.000 0.424 89 R N 7.219 127.698 120.500 -0.035 0.000 2.483 89 R HA 0.279 4.590 4.340 -0.048 0.000 0.303 89 R C -1.962 174.396 176.300 0.098 0.000 0.987 89 R CA -1.805 54.282 56.100 -0.022 0.000 0.881 89 R CB 1.651 31.878 30.300 -0.123 0.000 1.177 89 R HN 0.699 8.954 8.270 -0.025 0.000 0.451 90 V N 6.362 126.285 119.914 0.016 0.000 2.743 90 V HA -0.004 4.104 4.120 -0.019 0.000 0.301 90 V C -0.616 175.342 176.094 -0.227 0.000 1.057 90 V CA -0.666 61.599 62.300 -0.058 0.000 1.006 90 V CB 1.675 33.446 31.823 -0.086 0.000 1.024 90 V HN 0.287 8.466 8.190 -0.017 0.000 0.473 91 H N 6.018 124.686 119.070 -0.671 0.000 3.064 91 H HA -0.077 3.150 4.556 -2.215 0.000 0.329 91 H C 0.488 175.570 175.328 -0.411 0.000 1.020 91 H CA 0.846 56.209 56.048 -1.142 0.000 1.402 91 H CB 1.148 30.422 29.762 -0.813 0.000 1.379 91 H HN -0.189 7.878 8.280 -0.354 0.000 0.594 92 P HA -0.016 4.341 4.420 -0.105 0.000 0.225 92 P C -0.419 176.902 177.300 0.035 0.000 1.148 92 P CA 1.545 64.548 63.100 -0.163 0.000 0.779 92 P CB 0.318 31.920 31.700 -0.163 0.000 0.780 93 S N -2.215 113.651 115.700 0.276 0.000 2.575 93 S HA 0.095 4.625 4.470 0.099 0.000 0.237 93 S C -0.877 173.805 174.600 0.137 0.000 0.975 93 S CA -0.154 58.165 58.200 0.198 0.000 0.960 93 S CB 0.630 63.940 63.200 0.183 0.000 0.822 93 S HN -0.518 8.122 8.310 0.622 0.043 0.472 94 Y N 4.348 124.669 120.300 0.036 0.000 2.805 94 Y HA -0.306 4.399 4.550 -0.063 -0.194 0.331 94 Y C -0.595 175.284 175.900 -0.036 0.000 1.241 94 Y CA 1.536 59.617 58.100 -0.032 0.000 1.546 94 Y CB -0.070 38.372 38.460 -0.031 0.000 1.248 94 Y HN -0.653 7.638 8.280 0.291 0.164 0.559 95 S N 7.461 122.867 115.700 -0.490 0.000 2.584 95 S HA 0.152 4.308 4.470 -0.524 0.000 0.280 95 S C -1.144 173.186 174.600 -0.450 0.000 1.162 95 S CA -0.649 57.279 58.200 -0.454 0.000 0.951 95 S CB 2.197 65.263 63.200 -0.223 0.000 1.108 95 S HN 0.116 8.183 8.310 -0.405 0.000 0.464 100 N N 0.507 119.109 118.700 -0.164 0.000 2.473 100 N HA 0.140 4.870 4.740 -0.017 0.000 0.291 100 N C -1.259 174.260 175.510 0.015 0.000 1.083 100 N CA -0.123 52.888 53.050 -0.065 0.000 0.951 100 N CB 1.649 40.072 38.487 -0.107 0.000 1.164 100 N HN -0.407 7.703 8.380 -0.247 0.121 0.480 101 N N -0.768 117.926 118.700 -0.011 0.000 2.738 101 N HA -0.385 4.239 4.740 -0.192 0.000 0.249 101 N C -1.540 173.999 175.510 0.048 0.000 1.047 101 N CA 1.505 54.481 53.050 -0.123 0.000 0.707 101 N CB -1.005 37.287 38.487 -0.326 0.000 0.937 101 N HN 0.810 9.183 8.380 -0.011 0.000 0.545 102 D N -0.482 119.985 120.400 0.112 0.000 2.896 102 D HA 0.069 4.796 4.640 0.145 0.000 0.240 102 D C -1.757 174.552 176.300 0.016 0.000 1.193 102 D CA -0.736 53.342 54.000 0.131 0.000 0.983 102 D CB -0.775 40.166 40.800 0.235 0.000 1.074 102 D HN 0.132 8.556 8.370 0.090 0.000 0.496 103 L N -0.193 121.015 121.223 -0.026 0.000 2.388 103 L HA 0.784 5.319 4.340 0.036 -0.173 0.264 103 L C -2.379 174.520 176.870 0.047 0.000 0.998 103 L CA -1.385 53.487 54.840 0.053 0.000 0.817 103 L CB 4.867 47.051 42.059 0.208 0.000 1.338 103 L HN -0.538 7.592 8.230 -0.047 0.072 0.414 104 A N -0.365 122.521 122.820 0.111 0.000 2.515 104 A HA 0.851 5.472 4.320 0.277 -0.134 0.298 104 A C -2.279 175.401 177.584 0.162 0.000 1.059 104 A CA -1.569 50.557 52.037 0.148 0.000 0.698 104 A CB 4.193 23.165 19.000 -0.047 0.000 1.289 104 A HN 0.734 8.937 8.150 0.087 0.000 0.404 105 I N 0.879 121.541 120.570 0.154 0.000 2.336 105 I HA 0.571 4.900 4.170 0.013 -0.152 0.292 105 I C -1.266 174.840 176.117 -0.018 0.000 0.991 105 I CA -2.180 59.130 61.300 0.017 0.000 1.227 105 I CB 1.055 38.999 38.000 -0.094 0.000 1.366 105 I HN 0.336 8.690 8.210 0.239 0.000 0.466 106 L N 7.151 128.356 121.223 -0.030 0.000 2.307 106 L HA 0.527 4.987 4.340 -0.052 -0.151 0.284 106 L C -0.553 176.300 176.870 -0.028 0.000 1.023 106 L CA -1.512 53.302 54.840 -0.043 0.000 0.810 106 L CB 1.671 43.696 42.059 -0.057 0.000 1.231 106 L HN 0.829 9.046 8.230 -0.021 0.000 0.423 107 K N 2.433 122.818 120.400 -0.025 0.000 2.159 107 K HA 0.657 5.163 4.320 -0.018 -0.197 0.266 107 K C -0.615 175.982 176.600 -0.005 0.000 0.975 107 K CA -2.538 53.740 56.287 -0.016 0.000 0.865 107 K CB 1.781 34.272 32.500 -0.015 0.000 1.087 107 K HN 0.146 8.379 8.250 -0.028 0.000 0.446 108 L N 3.716 124.940 121.223 0.001 0.000 2.307 108 L HA 0.265 4.751 4.340 0.017 -0.136 0.282 108 L C 0.024 176.902 176.870 0.013 0.000 1.051 108 L CA -0.533 54.315 54.840 0.013 0.000 0.804 108 L CB 0.697 42.770 42.059 0.023 0.000 1.197 108 L HN 0.164 8.392 8.230 -0.003 0.000 0.431 109 S N 1.364 117.074 115.700 0.017 0.000 2.423 109 S HA -0.092 4.385 4.470 0.012 0.000 0.231 109 S C 0.489 175.099 174.600 0.017 0.000 1.014 109 S CA 2.883 61.092 58.200 0.015 0.000 0.965 109 S CB 0.722 63.932 63.200 0.016 0.000 0.785 109 S HN 0.274 8.596 8.310 0.020 0.000 0.495 110 T N 4.105 118.672 114.554 0.022 0.000 2.809 110 T HA 0.131 4.495 4.350 0.023 0.000 0.284 110 T C -1.495 173.226 174.700 0.034 0.000 0.992 110 T CA -0.602 61.513 62.100 0.026 0.000 0.957 110 T CB 1.709 70.593 68.868 0.026 0.000 0.942 110 T HN -0.554 7.668 8.240 0.024 0.033 0.439 111 S N 5.859 121.580 115.700 0.035 0.000 2.576 111 S HA 0.030 4.701 4.470 0.044 -0.174 0.276 111 S C -0.296 174.346 174.600 0.070 0.000 1.339 111 S CA 1.052 59.280 58.200 0.047 0.000 1.039 111 S CB 0.841 64.066 63.200 0.041 0.000 0.902 111 S HN 0.274 8.602 8.310 0.030 0.000 0.516 112 I N 4.473 125.107 120.570 0.106 0.000 2.382 112 I HA 0.388 4.619 4.170 0.100 0.000 0.285 112 I C -1.899 174.336 176.117 0.196 0.000 1.007 112 I CA -3.194 58.186 61.300 0.134 0.000 1.142 112 I CB 1.689 39.777 38.000 0.146 0.000 1.289 112 I HN 0.366 8.530 8.210 0.111 0.113 0.453 113 P HA 0.358 4.898 4.420 0.199 0.000 0.278 113 P C -0.906 176.407 177.300 0.021 0.000 1.238 113 P CA -0.900 62.276 63.100 0.125 0.000 0.794 113 P CB 0.582 32.322 31.700 0.067 0.000 0.955 114 S N 1.508 117.138 115.700 -0.117 0.000 2.603 114 S HA -0.139 4.211 4.470 -0.342 -0.085 0.268 114 S C -0.033 174.487 174.600 -0.134 0.000 1.317 114 S CA 0.735 58.741 58.200 -0.324 0.000 1.012 114 S CB 1.043 63.846 63.200 -0.661 0.000 0.926 114 S HN -0.184 8.113 8.310 -0.022 0.000 0.539 115 G N 3.383 112.111 108.800 -0.120 0.000 2.348 115 G HA2 -0.196 3.729 3.960 -0.060 0.000 0.606 115 G HA3 -0.196 3.738 3.960 -0.044 0.000 0.606 115 G C -1.311 173.564 174.900 -0.042 0.000 1.466 115 G CA -0.744 44.320 45.100 -0.061 0.000 0.950 115 G HN 0.223 8.422 8.290 -0.152 0.000 0.657 116 G N 1.280 110.063 108.800 -0.028 0.000 2.583 116 G HA2 -0.358 3.593 3.960 -0.015 0.000 0.292 116 G HA3 -0.358 3.594 3.960 -0.012 0.000 0.292 116 G C -1.026 173.862 174.900 -0.020 0.000 1.203 116 G CA 0.225 45.314 45.100 -0.018 0.000 0.987 116 G HN 0.201 8.475 8.290 -0.027 0.000 0.554 117 N N 2.903 121.597 118.700 -0.009 0.000 2.322 117 N HA 0.107 4.840 4.740 -0.012 0.000 0.216 117 N C -1.031 174.482 175.510 0.004 0.000 1.144 117 N CA 0.083 53.131 53.050 -0.004 0.000 0.830 117 N CB -0.127 38.365 38.487 0.008 0.000 1.034 117 N HN 0.184 8.563 8.380 -0.003 0.000 0.484 118 I N -0.384 120.177 120.570 -0.015 0.000 2.433 118 I HA 0.420 4.810 4.170 0.017 -0.210 0.292 118 I C -1.337 174.718 176.117 -0.103 0.000 1.001 118 I CA -1.158 60.128 61.300 -0.023 0.000 1.119 118 I CB 3.003 40.993 38.000 -0.016 0.000 1.289 118 I HN -0.583 7.520 8.210 -0.027 0.091 0.438 119 G N 4.445 113.198 108.800 -0.078 0.000 2.788 119 G HA2 0.420 4.125 3.960 -0.425 0.000 0.293 119 G HA3 0.420 4.344 3.960 -0.061 0.000 0.293 119 G C -2.496 172.365 174.900 -0.064 0.000 1.392 119 G CA -0.978 44.007 45.100 -0.191 0.000 0.810 119 G HN -0.236 7.960 8.290 0.023 0.107 0.508 120 Y N -1.784 118.604 120.300 0.147 0.000 2.487 120 Y HA 0.470 5.266 4.550 0.145 -0.159 0.337 120 Y C -0.506 175.383 175.900 -0.018 0.000 1.076 120 Y CA -2.394 55.764 58.100 0.096 0.000 1.115 120 Y CB 2.558 41.039 38.460 0.036 0.000 1.235 120 Y HN 0.056 8.298 8.280 -0.064 0.000 0.468 121 A N 1.549 124.326 122.820 -0.071 0.000 2.407 121 A HA 0.058 3.844 4.320 -0.889 0.000 0.248 121 A C -0.962 176.477 177.584 -0.242 0.000 1.082 121 A CA -0.163 51.520 52.037 -0.589 0.000 0.785 121 A CB 1.243 19.711 19.000 -0.887 0.000 1.020 121 A HN 0.087 8.257 8.150 0.033 0.000 0.489 122 R N 1.960 122.320 120.500 -0.232 0.000 2.294 122 R HA 0.213 4.504 4.340 -0.083 0.000 0.319 122 R C -1.596 174.634 176.300 -0.116 0.000 0.984 122 R CA -1.069 54.963 56.100 -0.113 0.000 0.861 122 R CB 1.273 31.540 30.300 -0.055 0.000 1.104 122 R HN 0.385 8.476 8.270 -0.298 0.000 0.451 123 L N 5.453 126.628 121.223 -0.080 0.000 2.325 123 L HA 0.361 4.661 4.340 -0.066 0.000 0.279 123 L C 0.121 176.972 176.870 -0.032 0.000 1.054 123 L CA -1.291 53.515 54.840 -0.056 0.000 0.804 123 L CB 1.715 43.751 42.059 -0.038 0.000 1.200 123 L HN 0.392 8.582 8.230 -0.066 0.000 0.436 124 A N 0.984 123.792 122.820 -0.020 0.000 2.507 124 A HA -0.030 4.274 4.320 -0.027 0.000 0.235 124 A C -0.726 176.853 177.584 -0.008 0.000 1.070 124 A CA 0.264 52.289 52.037 -0.019 0.000 0.768 124 A CB 0.852 19.839 19.000 -0.023 0.000 1.011 124 A HN -0.079 8.062 8.150 -0.016 0.000 0.502 125 A N 1.939 124.752 122.820 -0.011 0.000 2.386 125 A HA -0.045 4.273 4.320 -0.003 0.000 0.248 125 A C -0.493 177.096 177.584 0.007 0.000 1.082 125 A CA -0.548 51.487 52.037 -0.004 0.000 0.789 125 A CB 0.559 19.554 19.000 -0.009 0.000 1.025 125 A HN 0.210 8.349 8.150 -0.018 0.000 0.490 126 S N 1.429 117.138 115.700 0.014 0.000 2.537 126 S HA -0.335 4.368 4.470 0.038 -0.210 0.286 126 S C 1.979 176.591 174.600 0.020 0.000 1.299 126 S CA 1.110 59.326 58.200 0.027 0.000 1.067 126 S CB -0.239 62.979 63.200 0.030 0.000 0.864 126 S HN 0.172 8.488 8.310 0.010 0.000 0.494 127 G N 7.283 116.098 108.800 0.025 0.000 2.213 127 G HA2 -0.371 3.604 3.960 0.025 0.000 0.236 127 G HA3 -0.371 3.599 3.960 0.015 0.000 0.236 127 G C -0.436 174.468 174.900 0.008 0.000 0.991 127 G CA -0.195 44.916 45.100 0.019 0.000 0.629 127 G HN -0.021 8.290 8.290 0.035 0.000 0.517 128 S N 1.315 117.014 115.700 -0.001 0.000 2.603 128 S HA 0.064 4.520 4.470 -0.023 0.000 0.268 128 S C -1.220 173.361 174.600 -0.031 0.000 1.317 128 S CA 0.326 58.513 58.200 -0.022 0.000 1.012 128 S CB 1.684 64.863 63.200 -0.035 0.000 0.926 128 S HN -0.447 7.793 8.310 0.004 0.072 0.539 129 D N 0.308 120.671 120.400 -0.062 0.000 2.966 129 D HA 0.277 4.859 4.640 -0.096 0.000 0.222 129 D C -2.049 174.159 176.300 -0.154 0.000 1.292 129 D CA -2.390 51.558 54.000 -0.087 0.000 0.907 129 D CB 2.201 42.984 40.800 -0.029 0.000 1.621 129 D HN 0.051 8.383 8.370 -0.064 0.000 0.557 130 P HA 0.040 4.300 4.420 -0.267 0.000 0.268 130 P C -0.892 176.307 177.300 -0.169 0.000 1.204 130 P CA -0.115 62.791 63.100 -0.324 0.000 0.768 130 P CB 0.717 32.016 31.700 -0.669 0.000 0.842 131 V N 3.048 122.892 119.914 -0.116 0.000 2.498 131 V HA 0.008 4.098 4.120 -0.050 0.000 0.279 131 V C -0.010 176.058 176.094 -0.043 0.000 1.048 131 V CA -0.802 61.461 62.300 -0.062 0.000 0.967 131 V CB 1.397 33.192 31.823 -0.048 0.000 0.988 131 V HN 0.217 8.332 8.190 -0.124 0.000 0.473 132 A N 6.307 129.117 122.820 -0.017 0.000 2.565 132 A HA -0.329 4.104 4.320 0.008 -0.108 0.237 132 A C 0.930 178.511 177.584 -0.006 0.000 1.053 132 A CA 1.402 53.439 52.037 -0.000 0.000 0.755 132 A CB -0.322 18.683 19.000 0.009 0.000 0.980 132 A HN 0.288 8.430 8.150 -0.013 0.000 0.506 133 G N 3.245 112.045 108.800 -0.000 0.000 2.225 133 G HA2 -0.410 3.551 3.960 0.002 0.000 0.254 133 G HA3 -0.410 3.548 3.960 -0.003 0.000 0.254 133 G C -0.142 174.753 174.900 -0.009 0.000 0.988 133 G CA -0.178 44.920 45.100 -0.002 0.000 0.625 133 G HN 0.475 8.662 8.290 0.007 0.108 0.527 134 S N 1.642 117.330 115.700 -0.020 0.000 2.593 134 S HA 0.009 4.466 4.470 -0.022 0.000 0.269 134 S C -0.425 174.162 174.600 -0.022 0.000 1.334 134 S CA 0.230 58.413 58.200 -0.027 0.000 1.015 134 S CB 1.507 64.680 63.200 -0.046 0.000 0.912 134 S HN -0.509 7.701 8.310 -0.024 0.085 0.541 135 S N 2.908 118.597 115.700 -0.019 0.000 2.537 135 S HA 0.059 4.525 4.470 -0.007 0.000 0.275 135 S C -1.499 173.093 174.600 -0.014 0.000 1.272 135 S CA 0.694 58.887 58.200 -0.011 0.000 1.050 135 S CB 0.950 64.148 63.200 -0.003 0.000 0.961 135 S HN 0.264 8.562 8.310 -0.019 0.000 0.496 136 A N 3.138 125.951 122.820 -0.012 0.000 2.454 136 A HA 0.648 5.228 4.320 -0.007 -0.265 0.302 136 A C -2.061 175.524 177.584 0.000 0.000 1.079 136 A CA -1.575 50.452 52.037 -0.016 0.000 0.731 136 A CB 3.917 22.890 19.000 -0.045 0.000 1.299 136 A HN 0.523 8.669 8.150 -0.008 0.000 0.413 137 T N 3.332 117.901 114.554 0.025 0.000 2.841 137 T HA 0.738 5.291 4.350 0.031 -0.184 0.285 137 T C -0.961 173.736 174.700 -0.005 0.000 0.991 137 T CA -0.650 61.480 62.100 0.051 0.000 0.966 137 T CB 2.112 71.070 68.868 0.151 0.000 0.962 137 T HN 0.855 8.994 8.240 0.034 0.121 0.438 138 V N 6.284 126.164 119.914 -0.057 0.000 2.715 138 V HA 0.862 5.077 4.120 -0.149 -0.185 0.310 138 V C -2.367 173.592 176.094 -0.225 0.000 1.054 138 V CA -2.531 59.699 62.300 -0.118 0.000 0.928 138 V CB 3.415 35.228 31.823 -0.016 0.000 1.007 138 V HN 0.544 8.716 8.190 -0.030 0.000 0.437 139 A N 2.299 124.896 122.820 -0.373 0.000 2.539 139 A HA 1.033 5.272 4.320 -0.369 -0.141 0.296 139 A C -2.059 175.293 177.584 -0.387 0.000 1.073 139 A CA -1.812 49.923 52.037 -0.502 0.000 0.700 139 A CB 4.053 22.418 19.000 -1.058 0.000 1.296 139 A HN -0.151 7.803 8.150 -0.327 0.000 0.405 140 G N -1.507 107.038 108.800 -0.424 0.000 2.320 140 G HA2 0.219 3.934 3.960 -0.407 0.000 0.296 140 G HA3 0.219 4.257 3.960 -0.113 -0.146 0.296 140 G C -1.897 172.791 174.900 -0.354 0.000 1.306 140 G CA 0.566 45.470 45.100 -0.326 0.000 0.836 140 G HN -0.000 8.021 8.290 -0.448 0.000 0.517 141 W N 0.141 121.429 121.300 -0.019 0.000 2.966 141 W HA 0.337 4.998 4.660 0.002 0.000 0.406 141 W C -1.010 175.509 176.519 -0.000 0.000 1.027 141 W CA -0.862 56.482 57.345 -0.001 0.000 1.930 141 W CB 1.133 30.601 29.460 0.014 0.000 1.144 141 W HN 0.500 8.923 8.180 0.406 0.000 0.626 142 G N -1.459 107.433 108.800 0.154 0.000 2.621 142 G HA2 0.041 4.081 3.960 0.101 0.000 0.271 142 G HA3 0.041 4.144 3.960 0.057 -0.109 0.271 142 G C -0.845 174.093 174.900 0.064 0.000 1.236 142 G CA -1.086 44.068 45.100 0.090 0.000 0.958 142 G HN -0.484 8.139 8.290 0.111 -0.267 0.512 143 A N -0.054 122.792 122.820 0.043 0.000 2.520 143 A HA -0.126 4.220 4.320 0.044 0.000 0.235 143 A C 0.011 177.609 177.584 0.023 0.000 1.065 143 A CA 0.782 52.840 52.037 0.034 0.000 0.764 143 A CB 0.927 19.941 19.000 0.024 0.000 1.002 143 A HN -0.114 8.057 8.150 0.035 0.000 0.502 144 T N -4.591 109.977 114.554 0.023 0.000 3.086 144 T HA 0.200 4.828 4.350 0.011 -0.272 0.250 144 T C 0.130 174.838 174.700 0.013 0.000 1.074 144 T CA -0.047 62.062 62.100 0.015 0.000 0.988 144 T CB 1.047 69.925 68.868 0.017 0.000 0.988 144 T HN 0.341 8.598 8.240 0.027 0.000 0.530 145 S N 0.466 116.174 115.700 0.014 0.000 2.536 145 S HA 0.255 4.732 4.470 0.011 0.000 0.287 145 S C -0.986 173.620 174.600 0.010 0.000 1.101 145 S CA -1.268 56.939 58.200 0.012 0.000 0.950 145 S CB 2.701 65.909 63.200 0.013 0.000 1.056 145 S HN -0.421 7.840 8.310 0.017 0.059 0.481 146 E N 4.696 124.900 120.200 0.007 0.000 2.529 146 E HA -0.320 4.031 4.350 0.002 0.000 0.259 146 E C 0.873 177.476 176.600 0.005 0.000 0.966 146 E CA 1.793 58.195 56.400 0.004 0.000 0.937 146 E CB 0.274 29.975 29.700 0.002 0.000 0.923 146 E HN 0.464 8.828 8.360 0.008 0.000 0.468 147 G N 3.834 112.636 108.800 0.004 0.000 2.166 147 G HA2 -0.376 3.587 3.960 0.006 0.000 0.260 147 G HA3 -0.376 3.587 3.960 0.006 0.000 0.260 147 G C -0.161 174.746 174.900 0.012 0.000 0.986 147 G CA -0.142 44.962 45.100 0.007 0.000 0.683 147 G HN 0.516 8.807 8.290 0.001 0.000 0.527 148 G N -0.859 107.950 108.800 0.015 0.000 2.491 148 G HA2 -0.034 3.936 3.960 0.018 0.000 0.242 148 G HA3 -0.034 3.938 3.960 0.021 0.000 0.242 148 G C -0.487 174.427 174.900 0.024 0.000 1.266 148 G CA -0.734 44.377 45.100 0.019 0.000 0.844 148 G HN -0.187 7.929 8.290 0.013 0.182 0.571 149 S N -0.583 115.132 115.700 0.025 0.000 2.496 149 S HA -0.145 4.342 4.470 0.028 0.000 0.224 149 S C -0.494 174.126 174.600 0.032 0.000 0.996 149 S CA 1.316 59.532 58.200 0.027 0.000 0.927 149 S CB 0.442 63.656 63.200 0.022 0.000 0.774 149 S HN 0.298 8.622 8.310 0.023 0.000 0.524 150 S N 0.070 115.791 115.700 0.035 0.000 2.537 150 S HA 0.118 4.615 4.470 0.045 0.000 0.270 150 S C -2.323 172.307 174.600 0.050 0.000 1.142 150 S CA -0.200 58.025 58.200 0.042 0.000 0.870 150 S CB 2.259 65.482 63.200 0.038 0.000 1.112 150 S HN -0.573 7.718 8.310 0.033 0.038 0.466 151 T N 3.332 117.924 114.554 0.064 0.000 2.855 151 T HA 0.290 4.685 4.350 0.076 0.000 0.281 151 T C -1.566 173.196 174.700 0.103 0.000 1.007 151 T CA -2.893 59.258 62.100 0.085 0.000 1.009 151 T CB 0.621 69.543 68.868 0.089 0.000 0.983 151 T HN 0.059 8.336 8.240 0.062 0.000 0.455 152 P HA 0.163 4.646 4.420 0.105 0.000 0.271 152 P C -0.087 177.344 177.300 0.218 0.000 1.218 152 P CA -0.222 62.961 63.100 0.137 0.000 0.780 152 P CB 0.911 32.677 31.700 0.110 0.000 0.901 153 V N 1.028 121.051 119.914 0.182 0.000 2.453 153 V HA -0.347 3.883 4.120 0.182 0.000 0.247 153 V C -0.327 175.986 176.094 0.364 0.000 1.048 153 V CA 3.273 65.696 62.300 0.205 0.000 1.049 153 V CB 0.214 32.108 31.823 0.118 0.000 0.672 153 V HN 0.318 8.589 8.190 0.136 0.000 0.457 154 N N -3.443 115.424 118.700 0.278 0.000 2.456 154 N HA 0.275 5.462 4.740 0.370 -0.224 0.296 154 N C -0.086 175.439 175.510 0.024 0.000 1.102 154 N CA -1.299 51.897 53.050 0.242 0.000 0.924 154 N CB 0.923 39.486 38.487 0.127 0.000 1.186 154 N HN -0.596 7.902 8.380 0.197 0.000 0.492 155 L N 2.818 123.912 121.223 -0.215 0.000 2.490 155 L HA -0.120 3.401 4.340 -1.365 0.000 0.274 155 L C -1.245 175.414 176.870 -0.352 0.000 1.201 155 L CA 0.795 55.185 54.840 -0.751 0.000 0.869 155 L CB 0.722 42.362 42.059 -0.698 0.000 1.123 155 L HN -0.115 8.120 8.230 0.009 0.000 0.484 156 L N 4.660 125.663 121.223 -0.367 0.000 2.303 156 L HA 0.759 5.167 4.340 -0.121 -0.140 0.266 156 L C -1.412 175.353 176.870 -0.175 0.000 1.011 156 L CA -1.574 53.157 54.840 -0.182 0.000 0.818 156 L CB 3.114 45.100 42.059 -0.122 0.000 1.326 156 L HN 0.060 7.984 8.230 -0.509 0.000 0.435 157 K N -2.361 117.999 120.400 -0.067 0.000 2.512 157 K HA 1.008 5.433 4.320 -0.107 -0.169 0.263 157 K C -2.317 174.280 176.600 -0.004 0.000 0.966 157 K CA -1.804 54.465 56.287 -0.030 0.000 0.851 157 K CB 4.520 37.107 32.500 0.145 0.000 1.395 157 K HN 0.615 8.840 8.250 -0.042 0.000 0.440 158 V N -0.069 119.845 119.914 0.001 0.000 3.012 158 V HA 0.354 4.485 4.120 0.017 0.000 0.307 158 V C -2.845 173.262 176.094 0.021 0.000 1.166 158 V CA -1.246 61.061 62.300 0.012 0.000 0.974 158 V CB 3.350 35.177 31.823 0.006 0.000 1.040 158 V HN 0.449 8.632 8.190 -0.013 0.000 0.428 159 T N 8.973 123.541 114.554 0.023 0.000 2.771 159 T HA 0.797 5.347 4.350 0.022 -0.186 0.281 159 T C -1.140 173.569 174.700 0.016 0.000 0.982 159 T CA -0.305 61.807 62.100 0.021 0.000 0.978 159 T CB 0.763 69.645 68.868 0.023 0.000 0.930 159 T HN 0.245 8.498 8.240 0.021 0.000 0.447 160 V N 0.846 120.767 119.914 0.011 0.000 3.007 160 V HA 0.737 4.868 4.120 0.018 0.000 0.311 160 V C -2.867 173.234 176.094 0.011 0.000 1.120 160 V CA -4.610 57.700 62.300 0.016 0.000 0.980 160 V CB 1.938 33.779 31.823 0.030 0.000 1.033 160 V HN 0.522 8.714 8.190 0.005 0.000 0.429 161 P HA 0.467 5.076 4.420 0.006 -0.185 0.281 161 P C -0.605 176.714 177.300 0.032 0.000 1.249 161 P CA -1.739 61.370 63.100 0.015 0.000 0.810 161 P CB 1.210 32.918 31.700 0.013 0.000 1.008 162 I N 0.804 121.390 120.570 0.028 0.000 2.710 162 I HA -0.125 4.250 4.170 0.111 -0.139 0.286 162 I C 0.415 176.569 176.117 0.063 0.000 1.181 162 I CA -0.306 61.031 61.300 0.062 0.000 1.430 162 I CB -0.967 37.041 38.000 0.014 0.000 1.367 162 I HN 0.178 8.393 8.210 0.008 0.000 0.577 163 V N 8.227 128.197 119.914 0.094 0.000 2.435 163 V HA 0.224 4.375 4.120 0.051 0.000 0.290 163 V C -0.940 175.202 176.094 0.081 0.000 1.030 163 V CA -1.795 60.549 62.300 0.073 0.000 0.881 163 V CB 0.881 32.748 31.823 0.074 0.000 0.983 163 V HN 0.050 8.209 8.190 0.133 0.111 0.445 164 S N 5.693 121.426 115.700 0.055 0.000 2.563 164 S HA -0.112 4.391 4.470 0.055 0.000 0.284 164 S C 1.031 175.673 174.600 0.070 0.000 1.331 164 S CA -0.076 58.156 58.200 0.054 0.000 1.047 164 S CB 1.201 64.422 63.200 0.035 0.000 0.859 164 S HN 0.293 8.628 8.310 0.042 0.000 0.514 165 R N 4.270 124.815 120.500 0.075 0.000 2.120 165 R HA -0.402 3.994 4.340 0.094 0.000 0.234 165 R C 1.451 177.793 176.300 0.070 0.000 1.123 165 R CA 4.178 60.328 56.100 0.083 0.000 0.975 165 R CB -0.208 30.143 30.300 0.085 0.000 0.866 165 R HN 0.687 8.999 8.270 0.070 0.000 0.446 166 A N -2.588 120.264 122.820 0.054 0.000 1.902 166 A HA -0.163 4.187 4.320 0.049 0.000 0.217 166 A C 2.133 179.743 177.584 0.042 0.000 1.181 166 A CA 3.022 55.086 52.037 0.045 0.000 0.623 166 A CB -0.887 18.132 19.000 0.032 0.000 0.818 166 A HN 0.186 8.351 8.150 0.049 0.015 0.443 167 T N 1.231 115.807 114.554 0.037 0.000 2.746 167 T HA -0.445 3.912 4.350 0.012 0.000 0.267 167 T C 1.604 176.328 174.700 0.041 0.000 1.039 167 T CA 5.000 67.115 62.100 0.024 0.000 1.142 167 T CB -0.049 68.829 68.868 0.015 0.000 0.866 167 T HN -0.530 7.732 8.240 0.037 0.000 0.444 168 c N 2.134 120.780 118.600 0.077 0.000 2.425 168 c HA -0.269 4.393 4.570 0.153 0.000 0.277 168 c C 2.105 176.309 174.090 0.191 0.000 1.280 168 c CA 2.336 58.750 56.329 0.141 0.000 1.744 168 c CB -1.821 40.760 42.510 0.119 0.000 1.989 168 c HN -0.066 8.207 8.230 0.073 0.000 0.491 169 R N -0.458 120.123 120.500 0.134 0.000 2.120 169 R HA -0.293 4.287 4.340 0.182 -0.131 0.234 169 R C 2.309 178.670 176.300 0.103 0.000 1.123 169 R CA 2.835 59.016 56.100 0.135 0.000 0.975 169 R CB -0.127 30.230 30.300 0.096 0.000 0.866 169 R HN 0.024 8.358 8.270 0.106 0.000 0.446 170 A N -2.823 120.030 122.820 0.055 0.000 1.969 170 A HA -0.243 4.089 4.320 0.020 0.000 0.218 170 A C 1.900 179.467 177.584 -0.028 0.000 1.169 170 A CA 2.436 54.480 52.037 0.012 0.000 0.635 170 A CB -0.626 18.368 19.000 -0.010 0.000 0.810 170 A HN -0.484 7.611 8.150 0.052 0.086 0.445 171 Q N -2.272 117.497 119.800 -0.052 0.000 2.049 171 Q HA -0.267 3.876 4.340 -0.329 0.000 0.198 171 Q C 1.398 177.289 176.000 -0.182 0.000 0.971 171 Q CA 2.785 58.440 55.803 -0.247 0.000 0.833 171 Q CB 0.709 29.227 28.738 -0.367 0.000 0.896 171 Q HN -0.589 7.564 8.270 -0.000 0.116 0.434 172 Y N -4.752 115.607 120.300 0.098 0.000 2.506 172 Y HA 0.041 4.744 4.550 0.256 0.000 0.287 172 Y C 2.575 178.568 175.900 0.155 0.000 1.147 172 Y CA 1.458 59.673 58.100 0.192 0.000 1.241 172 Y CB 0.621 39.221 38.460 0.234 0.000 1.279 172 Y HN -0.279 8.157 8.280 0.261 0.000 0.527 173 T N 0.340 114.952 114.554 0.097 0.000 2.708 173 T HA -0.221 4.180 4.350 0.085 0.000 0.266 173 T C 2.059 176.806 174.700 0.079 0.000 1.037 173 T CA 2.500 64.648 62.100 0.080 0.000 1.146 173 T CB -0.367 68.534 68.868 0.055 0.000 0.865 173 T HN 0.169 8.458 8.240 0.082 0.000 0.435 174 S N 1.213 116.953 115.700 0.067 0.000 2.453 174 S HA -0.100 4.395 4.470 0.043 0.000 0.231 174 S C 0.009 174.644 174.600 0.059 0.000 1.005 174 S CA 1.652 59.881 58.200 0.049 0.000 0.949 174 S CB -0.547 62.669 63.200 0.027 0.000 0.774 174 S HN 0.318 8.666 8.310 0.065 0.000 0.510 175 A N 0.691 123.573 122.820 0.104 0.000 2.014 175 A HA -0.118 4.231 4.320 0.047 0.000 0.218 175 A C -0.350 177.355 177.584 0.201 0.000 1.163 175 A CA 1.434 53.552 52.037 0.135 0.000 0.652 175 A CB 0.467 19.622 19.000 0.259 0.000 0.808 175 A HN -0.451 7.726 8.150 0.123 0.046 0.449 176 I N -1.396 119.282 120.570 0.180 0.000 2.328 176 I HA 0.289 4.585 4.170 0.210 0.000 0.287 176 I C -0.627 175.556 176.117 0.111 0.000 1.012 176 I CA -2.948 58.448 61.300 0.161 0.000 1.195 176 I CB -0.902 37.170 38.000 0.121 0.000 1.350 176 I HN -0.752 7.524 8.210 0.159 0.030 0.464 177 T N 4.905 119.521 114.554 0.103 0.000 2.884 177 T HA 0.355 4.742 4.350 0.062 0.000 0.277 177 T C 0.972 175.718 174.700 0.077 0.000 0.976 177 T CA -2.060 60.082 62.100 0.071 0.000 0.956 177 T CB 1.792 70.687 68.868 0.045 0.000 1.113 177 T HN -0.405 7.911 8.240 0.126 0.000 0.554 178 N N -2.272 116.465 118.700 0.061 0.000 2.571 178 N HA -0.133 4.654 4.740 0.078 0.000 0.189 178 N C -0.092 175.465 175.510 0.078 0.000 1.154 178 N CA 1.385 54.475 53.050 0.068 0.000 0.907 178 N CB -0.679 37.839 38.487 0.052 0.000 0.977 178 N HN 0.450 8.859 8.380 0.049 0.000 0.449 179 Q N -3.556 116.285 119.800 0.069 0.000 2.220 179 Q HA 0.184 4.575 4.340 0.085 0.000 0.205 179 Q C -1.166 174.900 176.000 0.110 0.000 0.865 179 Q CA -0.576 55.269 55.803 0.070 0.000 0.960 179 Q CB 0.074 28.812 28.738 0.000 0.000 1.097 179 Q HN -0.680 7.559 8.270 0.058 0.065 0.493 180 M N -0.905 118.772 119.600 0.129 0.000 2.602 180 M HA 0.858 5.582 4.480 0.081 -0.195 0.312 180 M C -1.588 174.824 176.300 0.187 0.000 1.181 180 M CA -0.809 54.557 55.300 0.111 0.000 0.910 180 M CB 4.732 37.389 32.600 0.095 0.000 1.723 180 M HN -0.636 7.651 8.290 0.122 0.076 0.459 181 F N -2.547 117.450 119.950 0.077 0.000 2.650 181 F HA 0.601 5.155 4.527 0.044 0.000 0.320 181 F C -3.007 172.849 175.800 0.094 0.000 1.091 181 F CA -1.831 56.207 58.000 0.064 0.000 0.962 181 F CB 2.507 41.536 39.000 0.049 0.000 1.363 181 F HN 0.347 8.525 8.300 -0.204 0.000 0.482 182 c N -1.565 117.173 118.600 0.230 0.000 2.614 182 c HA 1.043 5.817 4.570 0.041 -0.180 0.320 182 c C -1.148 173.087 174.090 0.241 0.000 1.200 182 c CA -1.748 54.659 56.329 0.130 0.000 1.700 182 c CB 3.577 46.127 42.510 0.066 0.000 2.275 182 c HN 0.531 8.982 8.230 0.369 0.000 0.492 183 A N 1.363 124.313 122.820 0.217 0.000 2.513 183 A HA 0.775 5.312 4.320 0.133 -0.137 0.296 183 A C -2.615 175.057 177.584 0.147 0.000 1.052 183 A CA -0.287 51.847 52.037 0.162 0.000 0.714 183 A CB 3.313 22.355 19.000 0.070 0.000 1.279 183 A HN 0.732 9.016 8.150 0.224 0.000 0.397 184 V N -0.488 119.446 119.914 0.033 0.000 2.483 184 V HA 0.557 4.687 4.120 0.017 0.000 0.295 184 V C 0.298 176.398 176.094 0.009 0.000 1.035 184 V CA -2.687 59.624 62.300 0.019 0.000 0.896 184 V CB 2.638 34.471 31.823 0.017 0.000 0.986 184 V HN 0.288 8.501 8.190 0.037 0.000 0.447 185 S N 4.846 120.545 115.700 -0.002 0.000 2.382 185 S HA -0.191 4.264 4.470 -0.026 0.000 0.228 185 S C 0.970 175.559 174.600 -0.019 0.000 1.027 185 S CA 3.320 61.508 58.200 -0.019 0.000 0.991 185 S CB -0.076 63.110 63.200 -0.023 0.000 0.823 185 S HN 0.567 8.876 8.310 -0.001 0.000 0.469 186 S N -2.241 113.454 115.700 -0.008 0.000 2.607 186 S HA -0.056 4.409 4.470 -0.008 0.000 0.224 186 S C 0.048 174.652 174.600 0.006 0.000 0.969 186 S CA 0.082 58.280 58.200 -0.003 0.000 0.927 186 S CB -0.011 63.189 63.200 -0.001 0.000 0.772 186 S HN -0.355 7.936 8.310 -0.005 0.017 0.533 187 G N 1.749 110.556 108.800 0.012 0.000 3.153 187 G HA2 -0.346 3.632 3.960 0.028 0.000 0.686 187 G HA3 -0.346 3.718 3.960 0.026 -0.088 0.686 187 G C -0.982 173.930 174.900 0.020 0.000 0.995 187 G CA -0.031 45.083 45.100 0.022 0.000 0.783 187 G HN -0.452 7.644 8.290 0.009 0.200 0.551 188 K N 0.908 121.322 120.400 0.023 0.000 6.703 188 K HA -0.520 4.043 4.320 0.021 -0.231 0.800 188 K C -1.744 174.878 176.600 0.037 0.000 2.378 188 K CA 0.458 56.761 56.287 0.025 0.000 1.724 188 K CB -0.199 32.315 32.500 0.023 0.000 2.267 188 K HN 0.049 8.314 8.250 0.026 0.000 0.261 189 D N 1.239 121.661 120.400 0.036 0.000 2.755 189 D HA 0.288 4.975 4.640 0.078 0.000 0.277 189 D C -1.831 174.493 176.300 0.041 0.000 1.261 189 D CA -0.513 53.518 54.000 0.051 0.000 0.759 189 D CB 4.033 44.855 40.800 0.036 0.000 1.279 189 D HN -0.109 8.278 8.370 0.027 0.000 0.420 190 S N -0.950 114.784 115.700 0.056 0.000 2.614 190 S HA 0.124 4.703 4.470 0.016 -0.098 0.265 190 S C -1.260 173.330 174.600 -0.016 0.000 1.303 190 S CA 0.340 58.553 58.200 0.020 0.000 1.000 190 S CB 1.058 64.284 63.200 0.043 0.000 0.935 190 S HN 0.217 8.583 8.310 0.095 0.000 0.551 191 C N -0.158 119.132 119.300 -0.017 0.000 3.213 191 C HA 0.370 4.816 4.460 -0.022 0.000 0.319 191 C C -1.056 173.921 174.990 -0.021 0.000 1.386 191 C CA -0.979 58.029 59.018 -0.017 0.000 1.494 191 C CB 3.453 31.191 27.740 -0.003 0.000 1.905 191 C HN 0.231 8.728 8.230 -0.012 -0.274 0.456 192 Q N 1.912 121.698 119.800 -0.023 0.000 2.283 192 Q HA -0.177 4.132 4.340 -0.052 0.000 0.301 192 Q C 1.457 177.438 176.000 -0.032 0.000 1.063 192 Q CA 1.916 57.696 55.803 -0.039 0.000 0.952 192 Q CB -0.015 28.702 28.738 -0.034 0.000 1.166 192 Q HN 0.803 9.061 8.270 -0.020 0.000 0.381 193 G N 5.328 114.087 108.800 -0.068 0.000 2.217 193 G HA2 -0.441 3.641 3.960 -0.104 0.000 0.246 193 G HA3 -0.441 3.525 3.960 0.009 0.000 0.246 193 G C 0.592 175.502 174.900 0.017 0.000 0.990 193 G CA 0.919 45.995 45.100 -0.040 0.000 0.627 193 G HN 0.708 8.932 8.290 -0.109 0.000 0.522 194 D N 1.529 121.935 120.400 0.010 0.000 2.348 194 D HA 0.021 4.703 4.640 0.070 0.000 0.211 194 D C 0.015 176.322 176.300 0.012 0.000 0.998 194 D CA 1.352 55.370 54.000 0.029 0.000 0.873 194 D CB 0.219 41.025 40.800 0.010 0.000 0.925 194 D HN 0.160 8.441 8.370 -0.007 0.085 0.524 195 S N -1.059 114.626 115.700 -0.024 0.000 2.558 195 S HA -0.298 4.295 4.470 0.007 -0.119 0.291 195 S C 1.201 175.763 174.600 -0.064 0.000 1.306 195 S CA 2.642 60.823 58.200 -0.032 0.000 1.056 195 S CB -0.160 63.022 63.200 -0.031 0.000 0.836 195 S HN -0.208 8.027 8.310 -0.041 0.051 0.504 196 G N 4.748 113.522 108.800 -0.042 0.000 2.284 196 G HA2 -0.443 3.568 3.960 -0.025 0.000 0.247 196 G HA3 -0.443 3.591 3.960 -0.054 -0.106 0.247 196 G C -0.136 174.798 174.900 0.056 0.000 1.012 196 G CA 0.470 45.557 45.100 -0.022 0.000 0.618 196 G HN 0.583 8.757 8.290 -0.017 0.107 0.521 197 G N 1.017 109.859 108.800 0.070 0.000 2.616 197 G HA2 0.323 4.414 3.960 0.111 0.000 0.268 197 G HA3 0.323 4.321 3.960 0.064 0.000 0.268 197 G C -2.645 172.310 174.900 0.093 0.000 1.213 197 G CA -1.967 43.184 45.100 0.085 0.000 0.926 197 G HN -0.467 7.760 8.290 0.053 0.095 0.523 198 P HA 0.279 4.957 4.420 0.186 -0.146 0.282 198 P C -1.965 175.359 177.300 0.039 0.000 1.249 198 P CA -0.985 62.190 63.100 0.124 0.000 0.806 198 P CB 1.715 33.559 31.700 0.239 0.000 0.984 199 I N 2.181 122.809 120.570 0.096 0.000 2.436 199 I HA 0.763 5.114 4.170 -0.024 -0.196 0.289 199 I C -1.648 174.526 176.117 0.095 0.000 1.010 199 I CA -2.466 58.845 61.300 0.018 0.000 1.098 199 I CB 3.112 41.008 38.000 -0.173 0.000 1.266 199 I HN -0.248 8.052 8.210 0.150 0.000 0.434 200 V N 6.041 126.009 119.914 0.089 0.000 4.876 200 V HA 1.069 5.592 4.120 0.133 -0.323 0.280 200 V C 0.169 176.304 176.094 0.069 0.000 1.427 200 V CA -3.410 58.973 62.300 0.138 0.000 0.805 200 V CB 1.885 33.870 31.823 0.271 0.000 1.337 200 V HN 1.101 9.210 8.190 0.054 0.113 0.439 201 S N -0.464 115.246 115.700 0.017 0.000 2.528 201 S HA -0.033 4.455 4.470 0.030 0.000 0.219 201 S C 1.217 175.830 174.600 0.022 0.000 0.985 201 S CA 2.656 60.868 58.200 0.020 0.000 0.914 201 S CB 0.018 63.221 63.200 0.005 0.000 0.776 201 S HN 0.000 8.311 8.310 0.001 0.000 0.526 202 S N 2.609 118.324 115.700 0.024 0.000 2.575 202 S HA -0.038 4.441 4.470 0.015 0.000 0.215 202 S C -0.595 174.036 174.600 0.051 0.000 0.966 202 S CA 0.464 58.679 58.200 0.025 0.000 0.911 202 S CB 0.028 63.237 63.200 0.014 0.000 0.780 202 S HN -0.374 7.949 8.310 0.022 0.000 0.514 203 N N -3.974 114.781 118.700 0.090 0.000 2.878 203 N HA -0.371 4.508 4.740 0.232 0.000 0.247 203 N C -1.531 174.093 175.510 0.191 0.000 1.021 203 N CA 2.026 55.181 53.050 0.175 0.000 0.873 203 N CB -1.634 36.938 38.487 0.141 0.000 1.128 203 N HN 0.770 9.056 8.380 0.086 0.146 0.571 210 I N -1.437 119.172 120.570 0.064 0.000 4.035 210 I HA 0.421 4.601 4.170 0.018 0.000 0.321 210 I C -1.146 175.123 176.117 0.253 0.000 1.289 210 I CA -0.450 60.878 61.300 0.047 0.000 1.236 210 I CB 1.531 39.449 38.000 -0.136 0.000 1.076 210 I HN 0.119 8.382 8.210 0.088 0.000 0.418 211 G N -1.964 107.019 108.800 0.306 0.000 2.550 211 G HA2 0.324 4.629 3.960 0.358 0.000 0.293 211 G HA3 0.324 4.588 3.960 0.512 0.004 0.293 211 G C -3.300 171.752 174.900 0.253 0.000 1.402 211 G CA 0.184 45.510 45.100 0.377 0.000 0.784 211 G HN -0.674 7.754 8.290 0.230 0.000 0.482 212 A N -1.889 121.069 122.820 0.230 0.000 2.365 212 A HA 1.010 5.655 4.320 0.197 -0.207 0.318 212 A C -1.006 176.700 177.584 0.203 0.000 1.091 212 A CA -2.705 49.448 52.037 0.192 0.000 0.763 212 A CB 3.614 22.690 19.000 0.127 0.000 1.248 212 A HN -0.076 8.205 8.150 0.218 0.000 0.442 213 V N 0.687 120.708 119.914 0.179 0.000 2.617 213 V HA -0.266 3.724 4.120 -0.216 0.000 0.304 213 V C -0.414 175.647 176.094 -0.054 0.000 1.040 213 V CA 2.085 64.374 62.300 -0.018 0.000 1.149 213 V CB -1.208 30.624 31.823 0.015 0.000 0.914 213 V HN 0.065 8.362 8.190 0.178 0.000 0.487 214 S N 6.864 122.447 115.700 -0.195 0.000 3.526 214 S HA 0.255 4.873 4.470 0.246 0.000 0.222 214 S C -1.057 173.617 174.600 0.124 0.000 1.001 214 S CA 0.488 58.734 58.200 0.077 0.000 0.831 214 S CB 2.748 66.012 63.200 0.107 0.000 0.941 214 S HN 0.023 8.040 8.310 -0.487 0.000 0.585 215 W N -4.061 117.060 121.300 -0.297 0.000 2.959 215 W HA 0.209 4.718 4.660 -0.251 0.000 0.358 215 W C -2.903 173.450 176.519 -0.276 0.000 1.228 215 W CA -0.592 56.588 57.345 -0.275 0.000 1.183 215 W CB 0.645 29.942 29.460 -0.271 0.000 1.467 215 W HN -0.140 7.788 8.180 -0.420 0.000 0.578 216 G N -2.900 105.877 108.800 -0.039 0.000 2.356 216 G HA2 -0.073 3.574 3.960 -0.521 0.000 0.294 216 G HA3 -0.073 3.772 3.960 -0.191 0.000 0.294 216 G C -2.505 172.494 174.900 0.164 0.000 1.423 216 G CA 0.276 45.278 45.100 -0.163 0.000 0.806 216 G HN -0.014 8.416 8.290 0.233 0.000 0.527 220 C N 4.047 123.345 119.300 -0.003 0.000 3.206 220 C HA 0.290 4.873 4.460 0.000 -0.122 0.206 220 C C -1.927 173.074 174.990 0.018 0.000 1.836 220 C CA -0.366 58.654 59.018 0.004 0.000 1.382 220 C CB -1.643 26.096 27.740 -0.002 0.000 2.405 220 C HN 0.178 8.895 8.230 -0.005 -0.491 0.516 221 R N -0.180 120.361 120.500 0.068 0.000 3.466 221 R HA 0.225 4.605 4.340 0.066 0.000 0.262 221 R C -3.067 173.291 176.300 0.097 0.000 0.997 221 R CA -1.195 54.960 56.100 0.092 0.000 0.978 221 R CB 0.967 31.349 30.300 0.136 0.000 1.256 221 R HN 0.284 8.597 8.270 0.072 0.000 0.536 222 P HA -0.142 4.473 4.420 0.006 -0.191 0.268 222 P C -0.413 176.868 177.300 -0.031 0.000 1.205 222 P CA 0.507 63.617 63.100 0.017 0.000 0.771 222 P CB 0.135 31.837 31.700 0.005 0.000 0.858 223 N N -3.917 114.711 118.700 -0.119 0.000 2.800 223 N HA -0.471 4.120 4.740 -0.249 0.000 0.250 223 N C -1.795 173.333 175.510 -0.637 0.000 1.078 223 N CA 2.008 54.866 53.050 -0.321 0.000 0.804 223 N CB -1.045 37.213 38.487 -0.382 0.000 1.135 223 N HN 0.344 8.677 8.380 -0.078 0.000 0.565 224 Y N -1.874 118.356 120.300 -0.117 0.000 2.445 224 Y HA -0.005 4.343 4.550 -0.337 0.000 0.332 224 Y C -1.243 174.661 175.900 0.007 0.000 1.037 224 Y CA -1.068 56.923 58.100 -0.181 0.000 1.296 224 Y CB 0.665 39.001 38.460 -0.207 0.000 1.099 224 Y HN -0.846 7.361 8.280 -0.016 0.063 0.496 225 S N 3.000 118.814 115.700 0.190 0.000 2.576 225 S HA -0.096 4.433 4.470 0.099 0.000 0.272 225 S C 0.244 174.889 174.600 0.075 0.000 1.352 225 S CA 1.461 59.745 58.200 0.140 0.000 1.021 225 S CB 0.808 64.082 63.200 0.124 0.000 0.887 225 S HN -0.064 8.647 8.310 0.168 -0.300 0.542 226 G N 0.306 109.108 108.800 0.004 0.000 2.483 226 G HA2 0.282 4.061 3.960 -0.301 0.000 0.248 226 G HA3 0.282 4.259 3.960 -0.168 -0.118 0.248 226 G C -2.051 172.596 174.900 -0.423 0.000 1.248 226 G CA -0.173 44.795 45.100 -0.220 0.000 0.838 226 G HN -0.150 8.181 8.290 0.068 0.000 0.566 227 V N 2.572 121.944 119.914 -0.903 0.000 2.495 227 V HA 0.542 4.414 4.120 -0.653 -0.144 0.298 227 V C -1.042 174.418 176.094 -1.057 0.000 1.031 227 V CA -2.251 59.453 62.300 -0.993 0.000 0.871 227 V CB 1.771 32.599 31.823 -1.658 0.000 0.988 227 V HN 0.135 7.752 8.190 -0.956 0.000 0.432 228 Y N 4.550 124.472 120.300 -0.630 0.000 2.462 228 Y HA 0.381 4.829 4.550 -0.366 -0.118 0.346 228 Y C -1.313 174.339 175.900 -0.413 0.000 0.976 228 Y CA -2.060 55.683 58.100 -0.596 0.000 1.044 228 Y CB 4.225 42.020 38.460 -1.108 0.000 1.230 228 Y HN 0.719 8.674 8.280 -0.542 0.000 0.455 229 A N 2.338 125.144 122.820 -0.023 0.000 2.409 229 A HA 0.268 4.758 4.320 0.076 -0.125 0.267 229 A C -1.082 176.608 177.584 0.178 0.000 1.127 229 A CA -0.914 51.170 52.037 0.078 0.000 0.795 229 A CB 0.545 19.607 19.000 0.103 0.000 1.061 229 A HN 0.441 8.593 8.150 0.003 0.000 0.502 230 S N 4.157 120.002 115.700 0.242 0.000 2.439 230 S HA 0.201 5.152 4.470 0.587 -0.128 0.282 230 S C 1.003 175.742 174.600 0.232 0.000 1.170 230 S CA -2.024 56.400 58.200 0.374 0.000 1.054 230 S CB 0.636 64.049 63.200 0.356 0.000 0.956 230 S HN -0.046 8.375 8.310 0.186 0.000 0.490 231 V N 8.261 128.310 119.914 0.226 0.000 2.343 231 V HA -0.387 3.831 4.120 0.164 0.000 0.247 231 V C 1.946 178.109 176.094 0.115 0.000 1.051 231 V CA 3.401 65.793 62.300 0.153 0.000 1.036 231 V CB -0.472 31.423 31.823 0.119 0.000 0.654 231 V HN 0.355 8.714 8.190 0.282 0.000 0.451 232 G N -1.194 107.657 108.800 0.085 0.000 2.440 232 G HA2 -0.326 3.779 3.960 0.044 0.000 0.218 232 G HA3 -0.326 3.789 3.960 0.031 -0.136 0.218 232 G C 0.123 175.068 174.900 0.075 0.000 1.154 232 G CA 2.149 47.282 45.100 0.055 0.000 0.767 232 G HN 0.029 8.369 8.290 0.084 0.000 0.552 233 A N -0.541 122.336 122.820 0.095 0.000 2.066 233 A HA -0.048 4.319 4.320 0.078 0.000 0.218 233 A C 0.371 178.021 177.584 0.110 0.000 1.157 233 A CA 1.614 53.705 52.037 0.091 0.000 0.670 233 A CB 0.127 19.181 19.000 0.090 0.000 0.804 233 A HN -0.665 7.552 8.150 0.111 0.000 0.453 234 L N -4.421 116.888 121.223 0.142 0.000 3.014 234 L HA 0.291 4.772 4.340 0.234 0.000 0.263 234 L C -0.041 176.993 176.870 0.274 0.000 1.207 234 L CA -1.194 53.779 54.840 0.222 0.000 1.017 234 L CB -0.226 41.950 42.059 0.195 0.000 1.360 234 L HN -0.737 7.422 8.230 0.140 0.155 0.560 235 R N 0.945 121.549 120.500 0.173 0.000 2.120 235 R HA -0.364 4.045 4.340 0.115 0.000 0.234 235 R C 1.258 177.626 176.300 0.112 0.000 1.123 235 R CA 2.891 59.063 56.100 0.121 0.000 0.975 235 R CB -0.694 29.647 30.300 0.069 0.000 0.866 235 R HN -0.761 7.525 8.270 0.143 0.070 0.446 236 S N -1.129 114.654 115.700 0.139 0.000 2.368 236 S HA -0.307 4.188 4.470 0.042 0.000 0.225 236 S C 1.780 176.452 174.600 0.119 0.000 1.030 236 S CA 3.920 62.180 58.200 0.100 0.000 0.999 236 S CB -0.735 62.530 63.200 0.108 0.000 0.844 236 S HN 0.207 8.590 8.310 0.157 0.020 0.459 237 F N 3.545 123.555 119.950 0.101 0.000 2.095 237 F HA -0.285 4.315 4.527 0.121 0.000 0.298 237 F C 1.075 176.964 175.800 0.148 0.000 1.104 237 F CA 2.864 60.946 58.000 0.137 0.000 1.232 237 F CB -0.088 39.021 39.000 0.182 0.000 0.987 237 F HN -0.862 7.693 8.300 0.426 0.000 0.475 238 I N -1.315 119.216 120.570 -0.066 0.000 2.163 238 I HA -0.705 3.221 4.170 -0.408 0.000 0.243 238 I C 1.696 177.687 176.117 -0.209 0.000 1.085 238 I CA 4.243 65.419 61.300 -0.205 0.000 1.347 238 I CB -0.450 37.547 38.000 -0.006 0.000 1.044 238 I HN -0.689 7.644 8.210 0.205 0.000 0.408 239 D N -0.756 119.560 120.400 -0.140 0.000 2.178 239 D HA -0.187 4.371 4.640 -0.137 0.000 0.202 239 D C 2.293 178.439 176.300 -0.256 0.000 0.974 239 D CA 2.979 56.885 54.000 -0.155 0.000 0.841 239 D CB -0.497 40.243 40.800 -0.099 0.000 0.953 239 D HN -0.139 8.182 8.370 -0.081 0.000 0.478 240 T N 0.364 114.680 114.554 -0.396 0.000 2.746 240 T HA -0.274 3.755 4.350 -0.535 0.000 0.267 240 T C 1.079 175.256 174.700 -0.871 0.000 1.039 240 T CA 3.747 65.406 62.100 -0.736 0.000 1.142 240 T CB 0.472 68.625 68.868 -1.192 0.000 0.866 240 T HN -0.471 7.545 8.240 -0.335 0.023 0.444 241 Y N -3.185 116.955 120.300 -0.267 0.000 2.442 241 Y HA 0.044 4.490 4.550 -0.174 0.000 0.250 241 Y C -1.028 174.748 175.900 -0.206 0.000 1.113 241 Y CA -0.032 57.920 58.100 -0.246 0.000 1.273 241 Y CB 0.533 38.778 38.460 -0.359 0.000 1.138 241 Y HN -0.887 7.102 8.280 -0.451 0.021 0.522 242 A N 0.000 122.746 122.820 -0.123 0.000 2.254 242 A HA 0.000 4.263 4.320 -0.095 0.000 0.244 242 A CA 0.000 51.972 52.037 -0.109 0.000 0.836 242 A CB 0.000 18.928 19.000 -0.121 0.000 0.831 242 A HN 0.000 8.045 8.150 -0.174 0.000 0.486