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 1qtw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYIGAHVSA AGGLANAAIR AAEIDATAFA LFTKNQRQWR AAPLTTQTID DATA SEQUENCE EFKAACEKYH YTSAQILPHD SYLINLGHPV TEALEKSRDA FIDEMQRCEQ DATA SEQUENCE LGLSLLNFHP GSHLMQISEE DCLARIAESI NIALDKTQGV TAVIENTAGQ DATA SEQUENCE GSNLGFKFEH LAAIIDGVED KSRVGVCIDT CHAFAAGYDL RTPAECEKTF DATA SEQUENCE ADFARTVGFK YLRGMHLNDA KSTFGSRVDR HHSLGEGNIG HDAFRWIMQD DATA SEQUENCE DRFDGIPLIL ETINPDIWAE EIAWLKAQQT EKAVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.335 4.480 -0.242 0.000 0.227 1 M C 0.000 176.022 176.300 -0.463 0.000 1.140 1 M CA 0.000 55.115 55.300 -0.308 0.000 0.988 1 M CB 0.000 32.393 32.600 -0.346 0.000 1.302 2 K N 3.059 123.217 120.400 -0.403 0.000 2.123 2 K HA 0.228 4.343 4.320 -0.342 0.000 0.259 2 K C -1.167 175.184 176.600 -0.415 0.000 0.960 2 K CA -0.900 55.180 56.287 -0.345 0.000 0.872 2 K CB 1.764 34.182 32.500 -0.137 0.000 1.079 2 K HN -0.056 8.009 8.250 -0.307 0.000 0.440 3 Y N 1.203 121.532 120.300 0.049 0.000 2.328 3 Y HA 0.171 4.766 4.550 0.074 0.000 0.333 3 Y C -1.108 174.831 175.900 0.064 0.000 0.958 3 Y CA -1.134 57.006 58.100 0.067 0.000 1.167 3 Y CB 1.761 40.265 38.460 0.074 0.000 1.151 3 Y HN 0.211 8.474 8.280 -0.028 0.000 0.470 4 I N 2.501 123.192 120.570 0.202 0.000 2.447 4 I HA 0.708 5.119 4.170 0.105 -0.178 0.287 4 I C -1.048 175.132 176.117 0.105 0.000 1.023 4 I CA -0.964 60.408 61.300 0.121 0.000 1.083 4 I CB 2.600 40.649 38.000 0.082 0.000 1.245 4 I HN 0.009 8.359 8.210 0.234 0.000 0.434 5 G N 5.131 113.956 108.800 0.042 0.000 2.694 5 G HA2 0.651 4.609 3.960 -0.003 0.000 0.246 5 G HA3 0.651 4.900 3.960 0.014 -0.280 0.246 5 G C -3.108 171.690 174.900 -0.171 0.000 1.205 5 G CA -0.066 45.023 45.100 -0.019 0.000 0.891 5 G HN 0.609 8.916 8.290 0.029 0.000 0.515 6 A N -1.890 120.768 122.820 -0.270 0.000 2.594 6 A HA 0.643 4.859 4.320 -0.559 -0.231 0.291 6 A C -2.554 174.802 177.584 -0.379 0.000 1.105 6 A CA -1.255 50.430 52.037 -0.586 0.000 0.694 6 A CB 2.943 21.144 19.000 -1.331 0.000 1.291 6 A HN 0.034 8.080 8.150 -0.172 0.000 0.410 7 H N 3.196 121.962 119.070 -0.507 0.000 3.067 7 H HA 0.123 4.747 4.556 -0.178 -0.175 0.265 7 H C 0.380 175.606 175.328 -0.172 0.000 1.234 7 H CA -0.807 55.078 56.048 -0.271 0.000 1.452 7 H CB -0.051 29.560 29.762 -0.250 0.000 1.527 7 H HN -0.116 7.897 8.280 -0.445 0.000 0.486 8 V N 2.346 122.337 119.914 0.129 0.000 3.134 8 V HA 0.242 4.615 4.120 0.423 0.000 0.313 8 V C -0.732 175.538 176.094 0.294 0.000 1.069 8 V CA -1.953 60.495 62.300 0.247 0.000 1.048 8 V CB 1.870 33.746 31.823 0.088 0.000 1.119 8 V HN -0.271 7.941 8.190 0.036 0.000 0.461 9 S N -0.352 115.504 115.700 0.260 0.000 2.565 9 S HA -0.042 4.586 4.470 0.263 0.000 0.276 9 S C 0.855 175.550 174.600 0.159 0.000 1.326 9 S CA 0.495 58.824 58.200 0.216 0.000 1.045 9 S CB 0.682 63.979 63.200 0.162 0.000 0.918 9 S HN 0.202 8.674 8.310 0.269 0.000 0.505 10 A N 6.918 129.847 122.820 0.182 0.000 2.460 10 A HA 0.229 4.623 4.320 0.124 0.000 0.258 10 A C -0.976 176.680 177.584 0.119 0.000 1.300 10 A CA -0.943 51.182 52.037 0.147 0.000 0.913 10 A CB -0.135 18.966 19.000 0.168 0.000 1.031 10 A HN 0.561 8.847 8.150 0.227 0.000 0.512 11 A N 0.049 122.935 122.820 0.109 0.000 2.580 11 A HA -0.215 4.152 4.320 0.079 0.000 0.244 11 A C 0.454 178.078 177.584 0.067 0.000 1.045 11 A CA 0.918 53.004 52.037 0.081 0.000 0.761 11 A CB -0.496 18.545 19.000 0.069 0.000 0.962 11 A HN -0.490 7.664 8.150 0.122 0.069 0.512 12 G N 1.675 110.510 108.800 0.058 0.000 2.184 12 G HA2 -0.260 3.728 3.960 0.046 0.000 0.264 12 G HA3 -0.260 3.729 3.960 0.049 0.000 0.264 12 G C -0.715 174.221 174.900 0.060 0.000 0.975 12 G CA -0.154 44.977 45.100 0.052 0.000 0.642 12 G HN 0.429 8.753 8.290 0.057 0.000 0.536 13 G N -1.584 107.259 108.800 0.071 0.000 2.402 13 G HA2 -0.231 3.771 3.960 0.070 0.000 0.666 13 G HA3 -0.231 3.777 3.960 0.080 0.000 0.666 13 G C -0.515 174.451 174.900 0.109 0.000 1.402 13 G CA -0.770 44.378 45.100 0.080 0.000 0.920 13 G HN -0.476 7.773 8.290 0.074 0.085 0.651 14 L N -0.401 120.891 121.223 0.114 0.000 2.079 14 L HA -0.386 4.033 4.340 0.131 0.000 0.210 14 L C 2.162 179.248 176.870 0.360 0.000 1.081 14 L CA 2.658 57.591 54.840 0.155 0.000 0.752 14 L CB -0.430 41.602 42.059 -0.046 0.000 0.896 14 L HN 0.427 8.710 8.230 0.089 0.000 0.433 15 A N -3.027 119.996 122.820 0.338 0.000 1.978 15 A HA -0.377 4.159 4.320 0.360 0.000 0.220 15 A C 1.184 178.852 177.584 0.139 0.000 1.170 15 A CA 2.637 54.841 52.037 0.278 0.000 0.636 15 A CB -0.846 18.265 19.000 0.185 0.000 0.810 15 A HN 0.327 8.624 8.150 0.268 0.014 0.448 16 N N -1.937 116.828 118.700 0.107 0.000 2.381 16 N HA -0.259 4.499 4.740 0.030 0.000 0.182 16 N C 1.674 177.169 175.510 -0.024 0.000 1.025 16 N CA 2.126 55.201 53.050 0.042 0.000 0.888 16 N CB -0.539 37.979 38.487 0.051 0.000 0.965 16 N HN -0.375 7.955 8.380 0.124 0.125 0.438 17 A N 0.331 123.145 122.820 -0.009 0.000 1.902 17 A HA -0.178 4.181 4.320 -0.135 -0.119 0.217 17 A C 1.515 178.726 177.584 -0.621 0.000 1.181 17 A CA 3.278 55.207 52.037 -0.179 0.000 0.623 17 A CB -0.601 18.403 19.000 0.006 0.000 0.818 17 A HN -0.226 7.844 8.150 0.083 0.129 0.443 18 A N -1.205 121.267 122.820 -0.580 0.000 1.902 18 A HA -0.266 3.211 4.320 -1.406 0.000 0.217 18 A C 2.257 179.621 177.584 -0.366 0.000 1.181 18 A CA 2.810 54.438 52.037 -0.681 0.000 0.623 18 A CB -0.890 17.994 19.000 -0.194 0.000 0.818 18 A HN -0.588 7.407 8.150 -0.258 0.000 0.443 19 I N -1.913 118.524 120.570 -0.222 0.000 2.226 19 I HA -0.613 3.244 4.170 -0.522 0.000 0.245 19 I C 1.896 177.843 176.117 -0.283 0.000 1.100 19 I CA 4.305 65.438 61.300 -0.279 0.000 1.374 19 I CB -0.288 37.670 38.000 -0.071 0.000 1.057 19 I HN -0.610 7.517 8.210 -0.138 0.000 0.413 20 R N -1.152 119.229 120.500 -0.199 0.000 2.081 20 R HA -0.340 3.948 4.340 -0.086 0.000 0.235 20 R C 2.568 178.787 176.300 -0.136 0.000 1.131 20 R CA 3.345 59.372 56.100 -0.122 0.000 0.960 20 R CB -0.210 30.062 30.300 -0.047 0.000 0.856 20 R HN -0.172 7.984 8.270 -0.190 0.000 0.436 21 A N -1.315 121.341 122.820 -0.275 0.000 1.902 21 A HA -0.309 3.940 4.320 -0.120 0.000 0.217 21 A C 1.543 179.107 177.584 -0.033 0.000 1.181 21 A CA 2.991 54.903 52.037 -0.210 0.000 0.623 21 A CB -0.660 17.996 19.000 -0.573 0.000 0.818 21 A HN -0.240 7.665 8.150 -0.408 0.000 0.443 22 A N -1.863 120.886 122.820 -0.117 0.000 1.933 22 A HA -0.170 4.172 4.320 0.036 0.000 0.218 22 A C 2.828 180.340 177.584 -0.120 0.000 1.175 22 A CA 2.514 54.455 52.037 -0.159 0.000 0.628 22 A CB -0.505 18.012 19.000 -0.805 0.000 0.814 22 A HN -0.288 7.718 8.150 -0.239 0.000 0.444 23 E N -1.418 118.701 120.200 -0.136 0.000 2.268 23 E HA -0.228 4.088 4.350 -0.055 0.000 0.195 23 E C 1.229 177.835 176.600 0.009 0.000 0.995 23 E CA 2.077 58.443 56.400 -0.056 0.000 0.836 23 E CB 0.039 29.707 29.700 -0.052 0.000 0.763 23 E HN -0.360 7.790 8.360 -0.181 0.102 0.491 24 I N -8.506 112.088 120.570 0.040 0.000 3.904 24 I HA 0.306 4.526 4.170 0.083 0.000 0.333 24 I C -0.807 175.365 176.117 0.090 0.000 1.361 24 I CA -1.274 60.079 61.300 0.088 0.000 1.116 24 I CB 0.285 38.376 38.000 0.151 0.000 1.028 24 I HN -0.807 7.388 8.210 0.026 0.030 0.398 25 D N 0.200 120.647 120.400 0.079 0.000 2.870 25 D HA -0.465 4.230 4.640 0.093 0.000 0.228 25 D C -1.748 174.632 176.300 0.133 0.000 1.147 25 D CA 1.195 55.252 54.000 0.095 0.000 0.757 25 D CB -1.134 39.713 40.800 0.078 0.000 1.091 25 D HN -0.334 7.882 8.370 0.058 0.189 0.429 26 A N -3.257 119.663 122.820 0.166 0.000 2.445 26 A HA 0.128 4.651 4.320 0.162 -0.106 0.242 26 A C 1.004 178.800 177.584 0.355 0.000 1.075 26 A CA 0.356 52.519 52.037 0.209 0.000 0.777 26 A CB 1.160 20.251 19.000 0.152 0.000 1.013 26 A HN -0.419 7.783 8.150 0.148 0.037 0.493 27 T N -3.282 111.474 114.554 0.336 0.000 3.129 27 T HA 0.064 4.712 4.350 0.497 0.000 0.267 27 T C -1.067 173.906 174.700 0.455 0.000 1.018 27 T CA -1.154 61.202 62.100 0.428 0.000 0.903 27 T CB 0.474 69.542 68.868 0.332 0.000 1.067 27 T HN 0.275 8.668 8.240 0.256 0.000 0.549 28 A N -0.877 122.144 122.820 0.333 0.000 2.609 28 A HA 0.541 5.054 4.320 0.123 -0.120 0.291 28 A C -2.705 174.920 177.584 0.069 0.000 1.096 28 A CA -0.637 51.490 52.037 0.151 0.000 0.684 28 A CB 2.771 21.844 19.000 0.122 0.000 1.282 28 A HN -0.876 7.392 8.150 0.301 0.063 0.412 29 F N -4.744 115.068 119.950 -0.231 0.000 2.686 29 F HA 0.703 5.199 4.527 -0.236 -0.111 0.311 29 F C -3.075 172.594 175.800 -0.220 0.000 1.128 29 F CA -1.366 56.473 58.000 -0.268 0.000 0.946 29 F CB 3.165 41.938 39.000 -0.378 0.000 1.336 29 F HN 0.027 8.121 8.300 -0.343 0.000 0.457 30 A N -2.001 120.755 122.820 -0.106 0.000 2.384 30 A HA 0.897 5.110 4.320 -0.332 -0.091 0.312 30 A C -2.760 174.563 177.584 -0.434 0.000 1.113 30 A CA -2.103 49.733 52.037 -0.336 0.000 0.779 30 A CB 2.898 21.662 19.000 -0.392 0.000 1.307 30 A HN 0.228 8.358 8.150 -0.033 0.000 0.436 31 L N -7.700 113.154 121.223 -0.615 0.000 2.775 31 L HA 0.667 4.639 4.340 -0.614 0.000 0.263 31 L C -2.191 174.460 176.870 -0.364 0.000 1.017 31 L CA -0.673 53.899 54.840 -0.445 0.000 0.891 31 L CB 3.217 45.313 42.059 0.062 0.000 1.482 31 L HN -0.334 7.578 8.230 -0.531 0.000 0.410 32 F N -0.954 119.094 119.950 0.165 0.000 2.385 32 F HA 0.480 5.116 4.527 0.182 0.000 0.336 32 F C 1.292 177.139 175.800 0.077 0.000 1.100 32 F CA -0.610 57.495 58.000 0.175 0.000 1.116 32 F CB 1.847 40.976 39.000 0.214 0.000 1.166 32 F HN 0.236 8.641 8.300 0.175 0.000 0.511 33 T N -1.973 112.715 114.554 0.224 0.000 3.107 33 T HA -0.061 4.302 4.350 0.022 0.000 0.249 33 T C -1.087 173.656 174.700 0.072 0.000 1.096 33 T CA 0.535 62.676 62.100 0.067 0.000 1.012 33 T CB 0.358 69.211 68.868 -0.025 0.000 0.977 33 T HN 0.609 9.005 8.240 0.260 0.000 0.527 34 K N -1.049 119.426 120.400 0.125 0.000 2.579 34 K HA 0.212 4.565 4.320 0.056 0.000 0.284 34 K C -2.287 174.345 176.600 0.053 0.000 0.990 34 K CA -0.903 55.426 56.287 0.069 0.000 0.880 34 K CB 2.320 34.842 32.500 0.035 0.000 1.488 34 K HN -0.796 7.513 8.250 0.199 0.061 0.425 35 N N -0.905 117.806 118.700 0.018 0.000 2.395 35 N HA -0.172 4.538 4.740 -0.050 0.000 0.246 35 N C 0.739 176.212 175.510 -0.062 0.000 1.246 35 N CA 0.464 53.498 53.050 -0.028 0.000 0.879 35 N CB 0.416 38.901 38.487 -0.004 0.000 1.098 35 N HN 0.284 8.678 8.380 0.024 0.000 0.444 36 Q N -0.246 119.475 119.800 -0.131 0.000 2.311 36 Q HA -0.144 4.130 4.340 -0.111 0.000 0.203 36 Q C 1.219 177.176 176.000 -0.071 0.000 0.954 36 Q CA 2.194 57.926 55.803 -0.118 0.000 0.885 36 Q CB 0.068 28.728 28.738 -0.130 0.000 0.963 36 Q HN 0.372 8.550 8.270 -0.154 0.000 0.471 37 R N -3.483 117.000 120.500 -0.029 0.000 2.127 37 R HA -0.118 4.178 4.340 -0.074 0.000 0.217 37 R C 0.472 176.779 176.300 0.012 0.000 1.074 37 R CA 1.157 57.244 56.100 -0.023 0.000 0.991 37 R CB 0.700 31.008 30.300 0.013 0.000 0.895 37 R HN -0.347 7.870 8.270 -0.019 0.042 0.450 38 Q N -0.171 119.650 119.800 0.034 0.000 2.313 38 Q HA -0.078 4.316 4.340 0.090 0.000 0.266 38 Q C 0.776 176.863 176.000 0.146 0.000 0.989 38 Q CA -0.357 55.492 55.803 0.077 0.000 0.890 38 Q CB 0.897 29.662 28.738 0.045 0.000 1.200 38 Q HN -0.555 7.946 8.270 0.018 -0.219 0.396 39 W N 7.409 128.688 121.300 -0.035 0.000 2.354 39 W HA -0.318 4.319 4.660 -0.039 0.000 0.315 39 W C -1.206 175.300 176.519 -0.022 0.000 1.206 39 W CA 1.926 59.251 57.345 -0.032 0.000 1.290 39 W CB 0.387 29.828 29.460 -0.031 0.000 1.152 39 W HN 0.523 8.879 8.180 0.292 0.000 0.489 40 R N -4.123 116.323 120.500 -0.090 0.000 2.468 40 R HA 0.150 4.341 4.340 -0.249 0.000 0.302 40 R C -1.380 174.859 176.300 -0.102 0.000 1.041 40 R CA -1.710 54.243 56.100 -0.245 0.000 0.899 40 R CB 1.070 31.101 30.300 -0.448 0.000 1.167 40 R HN -0.645 7.646 8.270 0.036 0.000 0.483 41 A N 5.233 128.010 122.820 -0.072 0.000 2.531 41 A HA -0.080 4.225 4.320 -0.025 0.000 0.236 41 A C 0.028 177.580 177.584 -0.054 0.000 1.062 41 A CA 0.446 52.456 52.037 -0.044 0.000 0.760 41 A CB 0.592 19.571 19.000 -0.035 0.000 0.995 41 A HN 0.334 8.440 8.150 -0.074 0.000 0.501 42 A N 4.116 126.915 122.820 -0.035 0.000 2.483 42 A HA 0.064 4.359 4.320 -0.043 0.000 0.238 42 A C -1.513 176.049 177.584 -0.037 0.000 1.070 42 A CA -1.341 50.675 52.037 -0.034 0.000 0.770 42 A CB -0.782 18.206 19.000 -0.020 0.000 1.008 42 A HN 0.011 8.147 8.150 -0.024 0.000 0.497 43 P HA -0.073 4.318 4.420 -0.048 0.000 0.267 43 P C -1.115 176.168 177.300 -0.029 0.000 1.200 43 P CA 0.033 63.109 63.100 -0.040 0.000 0.772 43 P CB 0.357 32.035 31.700 -0.038 0.000 0.855 44 L N 1.705 122.909 121.223 -0.031 0.000 2.525 44 L HA -0.040 4.288 4.340 -0.020 0.000 0.278 44 L C 0.630 177.493 176.870 -0.012 0.000 1.218 44 L CA 0.613 55.440 54.840 -0.023 0.000 0.878 44 L CB -0.121 41.919 42.059 -0.031 0.000 1.127 44 L HN 0.085 8.292 8.230 -0.038 0.000 0.492 45 T N -1.976 112.577 114.554 -0.002 0.000 2.899 45 T HA 0.099 4.450 4.350 0.001 0.000 0.284 45 T C 1.313 176.021 174.700 0.014 0.000 1.004 45 T CA -1.351 60.752 62.100 0.005 0.000 1.043 45 T CB 1.877 70.751 68.868 0.010 0.000 1.013 45 T HN -0.237 8.003 8.240 0.000 0.000 0.518 46 T N 0.924 115.487 114.554 0.014 0.000 2.833 46 T HA -0.327 4.037 4.350 0.023 0.000 0.269 46 T C 1.923 176.642 174.700 0.032 0.000 1.054 46 T CA 3.929 66.042 62.100 0.021 0.000 1.135 46 T CB -0.342 68.535 68.868 0.017 0.000 0.869 46 T HN 0.383 8.630 8.240 0.011 0.000 0.466 47 Q N 1.172 120.989 119.800 0.030 0.000 2.046 47 Q HA -0.194 4.168 4.340 0.037 0.000 0.200 47 Q C 2.771 178.803 176.000 0.053 0.000 0.975 47 Q CA 3.550 59.375 55.803 0.037 0.000 0.836 47 Q CB -0.859 27.898 28.738 0.030 0.000 0.896 47 Q HN 0.246 8.508 8.270 0.024 0.023 0.428 48 T N 2.991 117.575 114.554 0.050 0.000 2.746 48 T HA -0.280 4.118 4.350 0.079 0.000 0.267 48 T C 1.920 176.682 174.700 0.104 0.000 1.039 48 T CA 4.598 66.739 62.100 0.068 0.000 1.142 48 T CB -0.205 68.686 68.868 0.038 0.000 0.866 48 T HN -0.455 7.808 8.240 0.038 0.000 0.444 49 I N 1.377 121.996 120.570 0.081 0.000 2.179 49 I HA -0.589 3.664 4.170 0.137 0.000 0.242 49 I C 1.289 177.498 176.117 0.154 0.000 1.088 49 I CA 4.661 66.031 61.300 0.116 0.000 1.357 49 I CB -0.203 37.839 38.000 0.070 0.000 1.051 49 I HN -0.322 7.922 8.210 0.056 0.000 0.409 50 D N -0.267 120.193 120.400 0.101 0.000 2.144 50 D HA -0.332 4.357 4.640 0.081 0.000 0.200 50 D C 2.071 178.426 176.300 0.092 0.000 0.978 50 D CA 3.776 57.826 54.000 0.083 0.000 0.833 50 D CB -0.044 40.786 40.800 0.050 0.000 0.961 50 D HN -0.304 8.114 8.370 0.080 0.000 0.470 51 E N -0.064 120.200 120.200 0.107 0.000 2.110 51 E HA -0.336 4.057 4.350 0.071 0.000 0.193 51 E C 2.327 179.018 176.600 0.151 0.000 0.988 51 E CA 2.777 59.241 56.400 0.106 0.000 0.804 51 E CB -0.055 29.707 29.700 0.105 0.000 0.745 51 E HN -0.503 7.919 8.360 0.104 0.000 0.458 52 F N 1.285 121.270 119.950 0.059 0.000 2.102 52 F HA -0.411 4.173 4.527 0.095 0.000 0.298 52 F C 1.136 176.992 175.800 0.093 0.000 1.105 52 F CA 3.688 61.739 58.000 0.085 0.000 1.239 52 F CB 0.230 39.281 39.000 0.086 0.000 0.991 52 F HN -0.254 8.237 8.300 0.318 0.000 0.474 53 K N -1.641 118.815 120.400 0.094 0.000 2.097 53 K HA -0.433 3.818 4.320 -0.116 0.000 0.206 53 K C 2.325 178.880 176.600 -0.075 0.000 1.049 53 K CA 3.514 59.787 56.287 -0.024 0.000 0.933 53 K CB -0.282 32.259 32.500 0.068 0.000 0.717 53 K HN -0.204 8.186 8.250 0.233 0.000 0.442 54 A N -1.337 121.462 122.820 -0.036 0.000 1.902 54 A HA -0.208 4.070 4.320 -0.070 0.000 0.217 54 A C 1.712 179.235 177.584 -0.101 0.000 1.181 54 A CA 2.907 54.907 52.037 -0.061 0.000 0.623 54 A CB -0.695 18.287 19.000 -0.030 0.000 0.818 54 A HN -0.116 8.037 8.150 0.006 0.000 0.443 55 A N -2.373 120.404 122.820 -0.072 0.000 1.898 55 A HA -0.283 4.012 4.320 -0.042 0.000 0.216 55 A C 1.756 179.340 177.584 -0.001 0.000 1.181 55 A CA 3.077 55.105 52.037 -0.015 0.000 0.620 55 A CB -0.641 18.401 19.000 0.070 0.000 0.819 55 A HN -0.364 7.754 8.150 -0.054 0.000 0.442 56 C N -1.555 117.676 119.300 -0.114 0.000 2.429 56 C HA -0.378 4.222 4.460 0.233 0.000 0.277 56 C C 2.317 177.274 174.990 -0.056 0.000 1.262 56 C CA 4.319 63.334 59.018 -0.005 0.000 1.733 56 C CB -1.843 25.794 27.740 -0.172 0.000 2.010 56 C HN -0.090 7.997 8.230 -0.239 0.000 0.483 57 E N -0.560 119.558 120.200 -0.136 0.000 2.106 57 E HA -0.352 3.901 4.350 -0.161 0.000 0.192 57 E C 2.737 179.122 176.600 -0.360 0.000 0.984 57 E CA 2.684 58.972 56.400 -0.188 0.000 0.806 57 E CB -0.473 29.146 29.700 -0.135 0.000 0.750 57 E HN -0.082 8.198 8.360 -0.134 0.000 0.458 58 K N 0.310 120.467 120.400 -0.405 0.000 2.097 58 K HA -0.252 3.739 4.320 -0.548 0.000 0.206 58 K C 1.415 177.492 176.600 -0.871 0.000 1.049 58 K CA 2.720 58.621 56.287 -0.645 0.000 0.933 58 K CB 0.216 32.261 32.500 -0.759 0.000 0.717 58 K HN -0.394 7.667 8.250 -0.315 0.000 0.442 59 Y N -5.063 114.995 120.300 -0.403 0.000 2.555 59 Y HA 0.133 4.484 4.550 -0.332 0.000 0.259 59 Y C -1.706 173.815 175.900 -0.632 0.000 1.179 59 Y CA -1.017 56.827 58.100 -0.427 0.000 1.230 59 Y CB -0.069 38.275 38.460 -0.194 0.000 1.146 59 Y HN -0.697 7.357 8.280 -0.340 0.023 0.526 60 H N -5.926 112.992 119.070 -0.254 0.000 2.826 60 H HA -0.312 4.157 4.556 -0.145 0.000 0.306 60 H C -1.323 173.814 175.328 -0.319 0.000 1.235 60 H CA 1.242 57.145 56.048 -0.241 0.000 1.150 60 H CB -2.866 26.780 29.762 -0.192 0.000 1.409 60 H HN -0.602 7.212 8.280 -0.677 0.059 0.420 61 Y N -0.434 119.922 120.300 0.094 0.000 2.417 61 Y HA 0.013 4.591 4.550 0.047 0.000 0.336 61 Y C 0.102 175.989 175.900 -0.021 0.000 0.961 61 Y CA -1.147 56.993 58.100 0.067 0.000 1.215 61 Y CB -0.462 38.123 38.460 0.208 0.000 1.120 61 Y HN -0.297 7.938 8.280 -0.076 0.000 0.499 62 T N 0.945 115.535 114.554 0.060 0.000 2.816 62 T HA 0.102 4.457 4.350 0.009 0.000 0.282 62 T C 1.354 176.033 174.700 -0.036 0.000 0.993 62 T CA -1.374 60.723 62.100 -0.005 0.000 0.994 62 T CB 1.930 70.773 68.868 -0.042 0.000 1.025 62 T HN 0.301 8.877 8.240 0.033 -0.317 0.529 63 S N 0.661 116.343 115.700 -0.029 0.000 2.400 63 S HA -0.312 4.137 4.470 -0.034 0.000 0.232 63 S C 1.723 176.279 174.600 -0.073 0.000 1.025 63 S CA 3.586 61.765 58.200 -0.036 0.000 0.993 63 S CB -0.607 62.590 63.200 -0.005 0.000 0.808 63 S HN 0.508 8.809 8.310 -0.015 0.000 0.478 64 A N -0.464 122.302 122.820 -0.090 0.000 2.172 64 A HA -0.128 4.156 4.320 -0.059 0.000 0.216 64 A C -0.007 177.467 177.584 -0.184 0.000 1.154 64 A CA 1.790 53.763 52.037 -0.107 0.000 0.701 64 A CB -0.303 18.638 19.000 -0.099 0.000 0.789 64 A HN -0.463 7.611 8.150 -0.083 0.027 0.465 65 Q N -5.342 114.316 119.800 -0.237 0.000 2.282 65 Q HA 0.108 4.282 4.340 -0.277 0.000 0.206 65 Q C -1.049 174.803 176.000 -0.247 0.000 0.878 65 Q CA -0.692 54.956 55.803 -0.259 0.000 0.944 65 Q CB 1.211 29.808 28.738 -0.235 0.000 1.100 65 Q HN -0.457 7.514 8.270 -0.196 0.182 0.509 66 I N -0.786 119.613 120.570 -0.285 0.000 2.436 66 I HA 0.486 4.467 4.170 -0.666 -0.211 0.289 66 I C -1.759 174.197 176.117 -0.268 0.000 1.010 66 I CA -1.062 59.949 61.300 -0.482 0.000 1.098 66 I CB 2.779 40.425 38.000 -0.591 0.000 1.266 66 I HN -0.769 7.253 8.210 -0.212 0.061 0.434 67 L N 6.831 127.904 121.223 -0.251 0.000 2.495 67 L HA 0.635 4.938 4.340 -0.061 0.000 0.248 67 L C -2.693 174.122 176.870 -0.090 0.000 1.229 67 L CA -3.991 50.793 54.840 -0.094 0.000 0.942 67 L CB 2.053 44.114 42.059 0.003 0.000 1.242 67 L HN 0.241 8.263 8.230 -0.346 0.000 0.484 68 P HA 0.194 4.709 4.420 -0.120 -0.167 0.269 68 P C -1.561 175.787 177.300 0.080 0.000 1.215 68 P CA -0.714 62.359 63.100 -0.045 0.000 0.780 68 P CB 0.856 32.544 31.700 -0.019 0.000 0.898 69 H N 2.940 122.028 119.070 0.030 0.000 2.469 69 H HA 0.615 5.521 4.556 0.280 -0.182 0.342 69 H C -0.183 175.374 175.328 0.383 0.000 1.115 69 H CA -1.502 54.678 56.048 0.219 0.000 1.204 69 H CB 3.842 33.709 29.762 0.175 0.000 1.492 69 H HN 0.030 8.356 8.280 0.078 0.000 0.499 70 D N 5.169 125.923 120.400 0.590 0.000 2.398 70 D HA -0.061 5.035 4.640 0.453 -0.185 0.247 70 D C 0.297 176.991 176.300 0.657 0.000 1.227 70 D CA -0.837 53.495 54.000 0.554 0.000 0.980 70 D CB 0.745 41.838 40.800 0.488 0.000 1.106 70 D HN -0.070 8.565 8.370 0.441 0.000 0.493 71 S N -1.189 114.742 115.700 0.385 0.000 2.562 71 S HA -0.089 4.479 4.470 0.164 0.000 0.281 71 S C 1.333 176.066 174.600 0.222 0.000 1.333 71 S CA -0.631 57.698 58.200 0.215 0.000 1.052 71 S CB 0.984 64.221 63.200 0.062 0.000 0.884 71 S HN -0.118 8.697 8.310 0.323 -0.311 0.506 72 Y N 5.853 126.203 120.300 0.082 0.000 2.421 72 Y HA -0.077 4.508 4.550 0.059 0.000 0.292 72 Y C -0.022 175.915 175.900 0.061 0.000 1.136 72 Y CA 1.281 59.410 58.100 0.048 0.000 1.255 72 Y CB -0.384 38.066 38.460 -0.017 0.000 0.991 72 Y HN 0.563 9.046 8.280 0.338 0.000 0.552 73 L N -2.795 118.078 121.223 -0.583 0.000 2.395 73 L HA -0.139 3.933 4.340 -0.446 0.000 0.218 73 L C 0.526 177.325 176.870 -0.117 0.000 1.130 73 L CA 0.572 55.135 54.840 -0.462 0.000 0.826 73 L CB 0.037 41.775 42.059 -0.534 0.000 0.941 73 L HN -0.812 6.969 8.230 -0.668 0.049 0.451 74 I N -1.426 119.144 120.570 -0.001 0.000 2.533 74 I HA -0.290 3.920 4.170 0.067 0.000 0.284 74 I C -1.027 175.141 176.117 0.085 0.000 1.109 74 I CA 0.649 61.995 61.300 0.078 0.000 1.412 74 I CB 0.074 38.167 38.000 0.155 0.000 1.396 74 I HN -0.874 7.301 8.210 0.009 0.041 0.543 75 N N 6.680 125.431 118.700 0.084 0.000 2.623 75 N HA 0.197 4.993 4.740 0.093 0.000 0.256 75 N C -0.124 175.430 175.510 0.073 0.000 1.045 75 N CA -1.314 51.794 53.050 0.095 0.000 0.863 75 N CB 0.777 39.340 38.487 0.126 0.000 1.182 75 N HN 0.135 8.564 8.380 0.081 0.000 0.523 76 L N 3.328 124.558 121.223 0.012 0.000 2.610 76 L HA 0.007 4.314 4.340 -0.055 0.000 0.232 76 L C 0.288 177.162 176.870 0.006 0.000 1.149 76 L CA 1.067 55.877 54.840 -0.049 0.000 0.872 76 L CB -0.510 41.426 42.059 -0.205 0.000 0.992 76 L HN 0.187 8.431 8.230 0.022 0.000 0.447 77 G N -3.776 105.050 108.800 0.044 0.000 3.651 77 G HA2 0.052 4.035 3.960 0.040 0.000 0.279 77 G HA3 0.052 4.035 3.960 0.039 0.000 0.279 77 G C -0.999 173.942 174.900 0.070 0.000 1.024 77 G CA -0.914 44.214 45.100 0.047 0.000 0.813 77 G HN -0.591 7.898 8.290 0.052 -0.168 0.518 78 H N 4.490 123.562 119.070 0.004 0.000 3.034 78 H HA 0.078 4.637 4.556 0.005 0.000 0.324 78 H C -0.289 175.043 175.328 0.006 0.000 1.015 78 H CA 0.459 56.508 56.048 0.001 0.000 1.429 78 H CB 1.302 31.055 29.762 -0.015 0.000 1.429 78 H HN -0.849 7.536 8.280 0.176 0.000 0.585 79 P HA -0.072 4.399 4.420 0.085 0.000 0.225 79 P C -0.852 176.543 177.300 0.158 0.000 1.156 79 P CA 1.182 64.352 63.100 0.116 0.000 0.787 79 P CB 0.495 32.224 31.700 0.048 0.000 0.802 80 V N 2.457 122.541 119.914 0.284 0.000 2.387 80 V HA 0.017 4.184 4.120 0.079 0.000 0.260 80 V C 0.547 176.650 176.094 0.016 0.000 1.054 80 V CA -0.761 61.612 62.300 0.123 0.000 0.967 80 V CB -1.221 30.653 31.823 0.086 0.000 1.036 80 V HN -0.736 7.781 8.190 0.545 0.000 0.481 81 T N 9.492 124.052 114.554 0.009 0.000 2.788 81 T HA -0.344 4.011 4.350 0.008 0.000 0.268 81 T C 1.568 176.241 174.700 -0.046 0.000 1.044 81 T CA 4.822 66.919 62.100 -0.006 0.000 1.139 81 T CB 0.188 69.059 68.868 0.005 0.000 0.867 81 T HN 0.554 8.804 8.240 0.016 0.000 0.454 82 E N 0.707 120.866 120.200 -0.069 0.000 2.110 82 E HA -0.253 4.062 4.350 -0.059 0.000 0.193 82 E C 1.509 178.008 176.600 -0.168 0.000 0.988 82 E CA 3.086 59.431 56.400 -0.091 0.000 0.804 82 E CB -0.771 28.879 29.700 -0.084 0.000 0.745 82 E HN 0.314 8.629 8.360 -0.058 0.009 0.458 83 A N -0.246 122.399 122.820 -0.293 0.000 1.930 83 A HA -0.154 3.918 4.320 -0.414 0.000 0.217 83 A C 2.131 179.507 177.584 -0.347 0.000 1.175 83 A CA 2.440 54.185 52.037 -0.488 0.000 0.627 83 A CB -0.863 17.494 19.000 -1.072 0.000 0.815 83 A HN -0.714 7.266 8.150 -0.282 0.000 0.443 84 L N -0.047 121.052 121.223 -0.208 0.000 2.013 84 L HA -0.297 4.047 4.340 0.007 0.000 0.212 84 L C 1.796 178.660 176.870 -0.011 0.000 1.073 84 L CA 3.050 57.870 54.840 -0.035 0.000 0.753 84 L CB -0.282 41.790 42.059 0.022 0.000 0.890 84 L HN 0.104 8.204 8.230 -0.217 0.000 0.432 85 E N -2.282 117.910 120.200 -0.014 0.000 2.106 85 E HA -0.369 4.013 4.350 0.053 0.000 0.192 85 E C 2.726 179.390 176.600 0.108 0.000 0.984 85 E CA 2.925 59.351 56.400 0.043 0.000 0.806 85 E CB -0.831 28.892 29.700 0.039 0.000 0.750 85 E HN -0.264 8.071 8.360 -0.041 0.000 0.458 86 K N -0.180 120.258 120.400 0.063 0.000 2.097 86 K HA -0.218 4.410 4.320 0.514 0.000 0.206 86 K C 3.184 179.960 176.600 0.294 0.000 1.049 86 K CA 3.017 59.424 56.287 0.200 0.000 0.933 86 K CB -0.204 32.076 32.500 -0.366 0.000 0.717 86 K HN -0.639 7.588 8.250 -0.038 0.000 0.442 87 S N 1.138 116.898 115.700 0.101 0.000 2.383 87 S HA -0.242 4.326 4.470 0.165 0.000 0.227 87 S C 1.805 176.506 174.600 0.168 0.000 1.026 87 S CA 3.759 62.035 58.200 0.127 0.000 0.981 87 S CB -0.294 62.941 63.200 0.058 0.000 0.818 87 S HN -0.203 8.113 8.310 0.010 0.000 0.472 88 R N 1.178 121.757 120.500 0.132 0.000 2.096 88 R HA -0.351 4.078 4.340 0.148 0.000 0.235 88 R C 2.185 178.589 176.300 0.173 0.000 1.127 88 R CA 3.756 59.941 56.100 0.141 0.000 0.968 88 R CB -0.209 30.146 30.300 0.091 0.000 0.861 88 R HN -0.078 8.254 8.270 0.104 0.000 0.440 89 D N -0.234 120.276 120.400 0.183 0.000 2.097 89 D HA -0.248 4.436 4.640 0.073 0.000 0.195 89 D C 2.079 178.431 176.300 0.086 0.000 0.989 89 D CA 3.207 57.281 54.000 0.123 0.000 0.827 89 D CB -0.627 40.260 40.800 0.145 0.000 0.966 89 D HN -0.168 8.328 8.370 0.210 0.000 0.456 90 A N 0.051 122.988 122.820 0.196 0.000 1.933 90 A HA -0.259 4.076 4.320 0.026 0.000 0.218 90 A C 1.574 179.238 177.584 0.134 0.000 1.175 90 A CA 2.875 54.999 52.037 0.145 0.000 0.628 90 A CB -0.306 18.864 19.000 0.284 0.000 0.814 90 A HN -0.363 7.979 8.150 0.319 0.000 0.444 91 F N -0.256 119.703 119.950 0.014 0.000 2.146 91 F HA -0.312 4.197 4.527 -0.030 0.000 0.298 91 F C 1.461 177.231 175.800 -0.051 0.000 1.096 91 F CA 3.201 61.178 58.000 -0.039 0.000 1.275 91 F CB 0.463 39.408 39.000 -0.091 0.000 1.008 91 F HN -0.382 8.105 8.300 0.312 0.000 0.480 92 I N -0.968 119.602 120.570 -0.000 0.000 2.163 92 I HA -0.710 3.363 4.170 -0.162 0.000 0.243 92 I C 1.322 177.355 176.117 -0.140 0.000 1.085 92 I CA 4.535 65.776 61.300 -0.098 0.000 1.347 92 I CB -0.474 37.516 38.000 -0.017 0.000 1.044 92 I HN 0.101 8.386 8.210 0.125 0.000 0.408 93 D N -0.655 119.685 120.400 -0.100 0.000 2.104 93 D HA -0.386 4.191 4.640 -0.105 0.000 0.194 93 D C 2.142 178.369 176.300 -0.123 0.000 0.994 93 D CA 3.869 57.805 54.000 -0.107 0.000 0.830 93 D CB -0.072 40.664 40.800 -0.107 0.000 0.959 93 D HN -0.437 7.894 8.370 -0.065 0.000 0.452 94 E N -0.752 119.363 120.200 -0.141 0.000 2.077 94 E HA -0.347 3.951 4.350 -0.087 0.000 0.193 94 E C 2.496 178.966 176.600 -0.216 0.000 0.989 94 E CA 2.937 59.249 56.400 -0.146 0.000 0.800 94 E CB -0.071 29.560 29.700 -0.117 0.000 0.746 94 E HN -0.384 7.899 8.360 -0.128 0.000 0.452 95 M N -1.406 117.983 119.600 -0.350 0.000 2.159 95 M HA -0.303 4.006 4.480 -0.286 0.000 0.263 95 M C 2.577 178.775 176.300 -0.170 0.000 1.063 95 M CA 2.799 57.915 55.300 -0.307 0.000 1.110 95 M CB -0.714 31.647 32.600 -0.397 0.000 1.374 95 M HN -0.156 7.870 8.290 -0.440 0.000 0.411 96 Q N -0.931 118.783 119.800 -0.144 0.000 2.124 96 Q HA -0.332 3.959 4.340 -0.082 0.000 0.202 96 Q C 2.854 178.806 176.000 -0.081 0.000 0.977 96 Q CA 3.310 59.056 55.803 -0.094 0.000 0.850 96 Q CB -0.252 28.435 28.738 -0.084 0.000 0.901 96 Q HN 0.055 8.228 8.270 -0.162 0.000 0.429 97 R N -0.637 119.809 120.500 -0.090 0.000 2.081 97 R HA -0.380 3.917 4.340 -0.072 0.000 0.235 97 R C 2.247 178.497 176.300 -0.083 0.000 1.131 97 R CA 3.835 59.886 56.100 -0.082 0.000 0.960 97 R CB -0.192 30.060 30.300 -0.080 0.000 0.856 97 R HN -0.185 8.025 8.270 -0.101 0.000 0.436 98 C N -1.000 118.248 119.300 -0.086 0.000 2.413 98 C HA -0.316 4.101 4.460 -0.072 0.000 0.276 98 C C 1.884 176.851 174.990 -0.038 0.000 1.236 98 C CA 4.144 63.122 59.018 -0.067 0.000 1.735 98 C CB -1.965 25.734 27.740 -0.068 0.000 2.031 98 C HN -0.203 7.968 8.230 -0.099 0.000 0.474 99 E N 0.496 120.670 120.200 -0.043 0.000 2.058 99 E HA -0.397 3.946 4.350 -0.012 0.000 0.194 99 E C 3.167 179.762 176.600 -0.007 0.000 0.997 99 E CA 3.041 59.428 56.400 -0.022 0.000 0.801 99 E CB -0.117 29.564 29.700 -0.031 0.000 0.746 99 E HN -0.281 8.043 8.360 -0.060 0.000 0.450 100 Q N -1.303 118.487 119.800 -0.018 0.000 2.170 100 Q HA -0.271 4.070 4.340 0.002 0.000 0.203 100 Q C 2.327 178.340 176.000 0.021 0.000 0.976 100 Q CA 2.649 58.449 55.803 -0.005 0.000 0.858 100 Q CB 0.200 28.926 28.738 -0.020 0.000 0.907 100 Q HN -0.399 7.852 8.270 -0.033 0.000 0.433 101 L N -6.097 115.135 121.223 0.016 0.000 2.591 101 L HA -0.101 4.311 4.340 0.121 0.000 0.228 101 L C -0.094 176.884 176.870 0.180 0.000 1.133 101 L CA 0.022 54.911 54.840 0.081 0.000 0.880 101 L CB 0.240 42.242 42.059 -0.095 0.000 1.033 101 L HN -0.677 7.514 8.230 -0.013 0.031 0.450 102 G N -2.947 105.914 108.800 0.101 0.000 2.136 102 G HA2 -0.358 3.639 3.960 0.062 0.000 0.242 102 G HA3 -0.358 3.669 3.960 0.112 0.000 0.242 102 G C -0.273 174.678 174.900 0.085 0.000 0.989 102 G CA 0.130 45.285 45.100 0.093 0.000 0.682 102 G HN -0.682 7.470 8.290 0.063 0.177 0.522 103 L N -1.502 119.764 121.223 0.072 0.000 2.379 103 L HA 0.389 4.758 4.340 0.047 0.000 0.269 103 L C -0.298 176.580 176.870 0.014 0.000 1.084 103 L CA -1.376 53.489 54.840 0.043 0.000 0.802 103 L CB 1.557 43.632 42.059 0.027 0.000 1.175 103 L HN -0.447 7.777 8.230 0.062 0.043 0.448 104 S N -1.847 113.857 115.700 0.006 0.000 2.733 104 S HA 0.149 4.768 4.470 0.011 -0.143 0.247 104 S C -0.844 173.768 174.600 0.020 0.000 1.043 104 S CA 0.106 58.313 58.200 0.011 0.000 1.066 104 S CB 1.471 64.678 63.200 0.012 0.000 1.045 104 S HN 0.406 8.716 8.310 -0.000 0.000 0.586 105 L N 0.650 121.884 121.223 0.017 0.000 2.409 105 L HA 0.712 5.239 4.340 0.063 -0.149 0.262 105 L C -1.394 175.504 176.870 0.046 0.000 0.992 105 L CA -0.932 53.933 54.840 0.042 0.000 0.817 105 L CB 4.109 46.188 42.059 0.032 0.000 1.350 105 L HN -0.744 7.488 8.230 0.004 0.000 0.411 106 L N 2.474 123.759 121.223 0.105 0.000 2.482 106 L HA 0.405 4.804 4.340 0.098 0.000 0.269 106 L C -2.730 174.313 176.870 0.288 0.000 0.967 106 L CA -0.509 54.413 54.840 0.137 0.000 0.851 106 L CB 4.859 46.950 42.059 0.053 0.000 1.242 106 L HN 0.463 8.776 8.230 0.139 0.000 0.404 107 N N 7.137 125.962 118.700 0.207 0.000 2.455 107 N HA 0.851 5.922 4.740 0.147 -0.243 0.280 107 N C -1.594 174.020 175.510 0.172 0.000 1.055 107 N CA -0.581 52.551 53.050 0.138 0.000 0.961 107 N CB 2.696 41.194 38.487 0.018 0.000 1.121 107 N HN 0.343 8.811 8.380 0.147 0.000 0.476 108 F N 0.453 120.439 119.950 0.060 0.000 2.619 108 F HA 0.690 5.396 4.527 0.077 -0.133 0.308 108 F C -1.969 174.004 175.800 0.288 0.000 1.097 108 F CA -2.396 55.698 58.000 0.157 0.000 0.953 108 F CB 2.836 41.999 39.000 0.273 0.000 1.287 108 F HN 0.384 8.597 8.300 -0.144 0.000 0.446 109 H N 3.946 123.135 119.070 0.198 0.000 2.652 109 H HA 0.307 4.877 4.556 0.024 0.000 0.349 109 H C -1.027 174.396 175.328 0.158 0.000 1.099 109 H CA -2.142 53.986 56.048 0.133 0.000 1.417 109 H CB 0.212 30.122 29.762 0.248 0.000 1.457 109 H HN 0.431 9.050 8.280 0.565 0.000 0.568 110 P HA -0.088 4.507 4.420 0.293 0.000 0.215 110 P C -1.469 175.945 177.300 0.190 0.000 1.157 110 P CA 0.529 63.740 63.100 0.186 0.000 0.859 110 P CB 0.940 32.684 31.700 0.074 0.000 0.786 111 G N -4.687 104.204 108.800 0.152 0.000 2.356 111 G HA2 -0.040 4.034 3.960 0.110 0.000 0.300 111 G HA3 -0.040 4.000 3.960 0.080 -0.032 0.300 111 G C -3.007 171.929 174.900 0.060 0.000 1.331 111 G CA -0.163 44.997 45.100 0.100 0.000 0.905 111 G HN -0.498 7.888 8.290 0.160 0.000 0.587 112 S N -1.863 113.838 115.700 0.003 0.000 2.540 112 S HA 0.764 5.346 4.470 -0.078 -0.160 0.275 112 S C -0.713 173.815 174.600 -0.119 0.000 1.123 112 S CA -0.799 57.349 58.200 -0.086 0.000 0.907 112 S CB 4.162 67.289 63.200 -0.121 0.000 1.081 112 S HN -0.186 8.406 8.310 -0.001 -0.283 0.476 113 H N -0.249 118.790 119.070 -0.051 0.000 2.553 113 H HA 0.223 4.734 4.556 -0.075 0.000 0.265 113 H C 0.746 176.025 175.328 -0.083 0.000 0.964 113 H CA -1.318 54.691 56.048 -0.065 0.000 1.156 113 H CB 0.527 30.264 29.762 -0.041 0.000 1.411 113 H HN 0.162 8.141 8.280 -0.502 0.000 0.558 114 L N -4.082 117.002 121.223 -0.233 0.000 3.976 114 L HA -0.406 3.827 4.340 -0.179 0.000 0.418 114 L C -0.572 176.303 176.870 0.007 0.000 1.177 114 L CA 0.737 55.493 54.840 -0.139 0.000 0.968 114 L CB -2.728 39.235 42.059 -0.160 0.000 1.933 114 L HN -0.333 7.640 8.230 -0.428 0.000 0.976 115 M N -7.291 112.414 119.600 0.175 0.000 2.612 115 M HA -0.604 4.096 4.480 0.367 0.000 0.194 115 M C 0.273 176.642 176.300 0.115 0.000 0.530 115 M CA 1.839 57.275 55.300 0.225 0.000 0.548 115 M CB -2.299 30.364 32.600 0.106 0.000 2.013 115 M HN -0.167 8.219 8.290 0.218 0.034 0.711 116 Q N -2.600 117.263 119.800 0.105 0.000 2.316 116 Q HA 0.146 4.506 4.340 0.034 0.000 0.235 116 Q C 0.331 176.349 176.000 0.029 0.000 0.863 116 Q CA 0.912 56.743 55.803 0.046 0.000 0.939 116 Q CB 1.958 30.716 28.738 0.033 0.000 1.108 116 Q HN -0.184 8.131 8.270 0.149 0.044 0.522 117 I N -6.244 114.345 120.570 0.030 0.000 3.095 117 I HA 0.455 4.614 4.170 -0.018 0.000 0.310 117 I C -1.749 174.311 176.117 -0.095 0.000 1.196 117 I CA -2.357 58.935 61.300 -0.013 0.000 0.985 117 I CB 3.199 41.205 38.000 0.010 0.000 1.250 117 I HN -0.882 7.372 8.210 0.072 0.000 0.446 118 S N 0.401 116.040 115.700 -0.102 0.000 2.600 118 S HA 0.022 4.369 4.470 -0.206 0.000 0.265 118 S C 1.085 175.574 174.600 -0.185 0.000 1.325 118 S CA -0.833 57.273 58.200 -0.156 0.000 1.002 118 S CB 1.623 64.767 63.200 -0.095 0.000 0.921 118 S HN 0.351 8.620 8.310 -0.067 0.000 0.554 119 E N 2.629 122.693 120.200 -0.226 0.000 2.085 119 E HA -0.393 3.839 4.350 -0.196 0.000 0.194 119 E C 2.312 178.832 176.600 -0.133 0.000 0.994 119 E CA 3.751 60.034 56.400 -0.195 0.000 0.801 119 E CB -0.297 29.288 29.700 -0.192 0.000 0.743 119 E HN 0.679 8.902 8.360 -0.228 0.000 0.453 120 E N -0.697 119.444 120.200 -0.099 0.000 2.085 120 E HA -0.328 3.981 4.350 -0.069 0.000 0.194 120 E C 2.262 178.831 176.600 -0.051 0.000 0.994 120 E CA 3.011 59.371 56.400 -0.067 0.000 0.801 120 E CB -0.351 29.320 29.700 -0.049 0.000 0.743 120 E HN 0.194 8.485 8.360 -0.099 0.010 0.453 121 D N -0.529 119.843 120.400 -0.047 0.000 2.117 121 D HA -0.193 4.434 4.640 -0.022 0.000 0.198 121 D C 2.196 178.485 176.300 -0.019 0.000 0.982 121 D CA 2.921 56.904 54.000 -0.028 0.000 0.828 121 D CB -0.332 40.454 40.800 -0.023 0.000 0.967 121 D HN -0.475 7.861 8.370 -0.057 0.000 0.464 122 C N 1.158 120.445 119.300 -0.022 0.000 2.432 122 C HA -0.310 4.160 4.460 0.016 0.000 0.277 122 C C 1.989 176.971 174.990 -0.013 0.000 1.249 122 C CA 3.171 62.189 59.018 0.001 0.000 1.725 122 C CB -1.353 26.406 27.740 0.033 0.000 2.028 122 C HN -0.416 7.791 8.230 -0.038 0.000 0.477 123 L N -0.899 120.297 121.223 -0.045 0.000 2.083 123 L HA -0.471 3.849 4.340 -0.035 0.000 0.209 123 L C 2.056 178.916 176.870 -0.017 0.000 1.083 123 L CA 3.208 58.022 54.840 -0.043 0.000 0.752 123 L CB -0.519 41.494 42.059 -0.076 0.000 0.899 123 L HN -0.196 7.996 8.230 -0.065 0.000 0.433 124 A N -1.183 121.628 122.820 -0.016 0.000 1.930 124 A HA -0.343 3.974 4.320 -0.005 0.000 0.217 124 A C 1.898 179.483 177.584 0.002 0.000 1.175 124 A CA 2.988 55.021 52.037 -0.006 0.000 0.627 124 A CB -0.713 18.282 19.000 -0.008 0.000 0.815 124 A HN -0.211 7.925 8.150 -0.023 0.000 0.443 125 R N -1.502 119.001 120.500 0.004 0.000 2.096 125 R HA -0.338 4.009 4.340 0.011 0.000 0.235 125 R C 2.546 178.850 176.300 0.006 0.000 1.127 125 R CA 3.286 59.392 56.100 0.010 0.000 0.968 125 R CB -0.103 30.209 30.300 0.020 0.000 0.861 125 R HN -0.445 7.826 8.270 0.002 0.000 0.440 126 I N -0.359 120.216 120.570 0.009 0.000 2.202 126 I HA -0.341 3.984 4.170 -0.011 -0.161 0.242 126 I C 1.787 177.913 176.117 0.014 0.000 1.091 126 I CA 3.769 65.076 61.300 0.011 0.000 1.368 126 I CB -0.023 38.004 38.000 0.044 0.000 1.058 126 I HN -0.289 7.927 8.210 0.010 0.000 0.410 127 A N -0.865 121.968 122.820 0.021 0.000 1.902 127 A HA -0.393 3.952 4.320 0.042 0.000 0.217 127 A C 1.694 179.292 177.584 0.022 0.000 1.181 127 A CA 3.529 55.582 52.037 0.027 0.000 0.623 127 A CB -0.988 18.021 19.000 0.016 0.000 0.818 127 A HN -0.239 7.921 8.150 0.016 0.000 0.443 128 E N -1.635 118.574 120.200 0.014 0.000 2.106 128 E HA -0.322 4.041 4.350 0.021 0.000 0.192 128 E C 2.274 178.883 176.600 0.015 0.000 0.984 128 E CA 2.345 58.755 56.400 0.016 0.000 0.806 128 E CB -0.544 29.165 29.700 0.014 0.000 0.750 128 E HN -0.273 8.094 8.360 0.011 0.000 0.458 129 S N 0.743 116.439 115.700 -0.006 0.000 2.359 129 S HA -0.357 4.113 4.470 -0.000 0.000 0.224 129 S C 1.946 176.542 174.600 -0.006 0.000 1.035 129 S CA 4.732 62.915 58.200 -0.029 0.000 1.018 129 S CB -0.222 62.907 63.200 -0.117 0.000 0.876 129 S HN -0.403 7.900 8.310 -0.011 0.000 0.448 130 I N 1.670 122.231 120.570 -0.014 0.000 2.179 130 I HA -0.616 3.617 4.170 0.103 0.000 0.242 130 I C 1.416 177.588 176.117 0.092 0.000 1.088 130 I CA 4.257 65.596 61.300 0.065 0.000 1.357 130 I CB -0.405 37.653 38.000 0.097 0.000 1.051 130 I HN -0.264 7.931 8.210 -0.024 0.000 0.409 131 N N -0.566 118.171 118.700 0.062 0.000 2.094 131 N HA -0.326 4.450 4.740 0.060 0.000 0.191 131 N C 2.595 178.137 175.510 0.055 0.000 1.023 131 N CA 3.233 56.316 53.050 0.056 0.000 0.857 131 N CB -0.477 38.034 38.487 0.041 0.000 1.013 131 N HN -0.420 7.990 8.380 0.051 0.000 0.426 132 I N -0.154 120.449 120.570 0.055 0.000 2.179 132 I HA -0.494 3.701 4.170 0.042 0.000 0.242 132 I C 1.573 177.727 176.117 0.062 0.000 1.088 132 I CA 4.122 65.454 61.300 0.053 0.000 1.357 132 I CB -0.157 37.874 38.000 0.052 0.000 1.051 132 I HN -0.285 7.956 8.210 0.052 0.000 0.409 133 A N -1.010 121.870 122.820 0.100 0.000 1.933 133 A HA -0.343 4.010 4.320 0.055 0.000 0.218 133 A C 2.041 179.649 177.584 0.041 0.000 1.175 133 A CA 3.015 55.103 52.037 0.085 0.000 0.628 133 A CB -0.360 18.744 19.000 0.174 0.000 0.814 133 A HN -0.524 7.700 8.150 0.123 0.000 0.444 134 L N -4.033 117.227 121.223 0.062 0.000 2.201 134 L HA -0.263 4.097 4.340 0.034 0.000 0.212 134 L C 2.399 179.287 176.870 0.031 0.000 1.105 134 L CA 2.157 57.024 54.840 0.045 0.000 0.775 134 L CB -0.575 41.523 42.059 0.064 0.000 0.913 134 L HN 0.017 8.297 8.230 0.083 0.000 0.440 135 D N -2.168 118.250 120.400 0.031 0.000 2.277 135 D HA -0.062 4.591 4.640 0.022 0.000 0.208 135 D C 1.039 177.347 176.300 0.013 0.000 0.962 135 D CA 2.451 56.464 54.000 0.022 0.000 0.865 135 D CB -0.347 40.468 40.800 0.024 0.000 0.939 135 D HN -0.323 7.949 8.370 0.038 0.120 0.510 136 K N -2.642 117.763 120.400 0.008 0.000 2.358 136 K HA 0.164 4.483 4.320 -0.002 0.000 0.197 136 K C -0.241 176.349 176.600 -0.016 0.000 1.025 136 K CA -0.225 56.059 56.287 -0.003 0.000 1.104 136 K CB 0.945 33.443 32.500 -0.004 0.000 0.855 136 K HN -0.500 7.592 8.250 0.012 0.166 0.531 137 T N -3.565 110.980 114.554 -0.015 0.000 2.838 137 T HA 0.367 4.702 4.350 -0.026 0.000 0.292 137 T C -1.922 172.772 174.700 -0.010 0.000 1.113 137 T CA -1.622 60.464 62.100 -0.024 0.000 1.008 137 T CB 2.552 71.390 68.868 -0.049 0.000 1.259 137 T HN -0.697 7.539 8.240 -0.007 0.000 0.520 138 Q N 0.104 119.898 119.800 -0.010 0.000 2.359 138 Q HA 0.187 4.530 4.340 0.005 0.000 0.274 138 Q C -0.187 175.813 176.000 0.000 0.000 1.074 138 Q CA -0.678 55.125 55.803 -0.000 0.000 0.810 138 Q CB 3.368 32.106 28.738 0.001 0.000 1.342 138 Q HN -0.280 8.248 8.270 -0.017 -0.268 0.427 139 G N 0.624 109.429 108.800 0.009 0.000 2.184 139 G HA2 -0.294 3.676 3.960 0.017 0.000 0.264 139 G HA3 -0.294 3.672 3.960 0.010 0.000 0.264 139 G C -1.323 173.585 174.900 0.013 0.000 0.975 139 G CA 0.346 45.454 45.100 0.012 0.000 0.642 139 G HN 0.341 8.639 8.290 0.013 0.000 0.536 140 V N -0.607 119.313 119.914 0.010 0.000 2.448 140 V HA 0.181 4.472 4.120 0.015 -0.163 0.295 140 V C -0.467 175.650 176.094 0.038 0.000 1.025 140 V CA -1.741 60.565 62.300 0.010 0.000 0.859 140 V CB 0.954 32.760 31.823 -0.027 0.000 0.988 140 V HN -0.615 7.520 8.190 0.007 0.060 0.431 141 T N 8.362 122.955 114.554 0.065 0.000 2.817 141 T HA 0.027 4.599 4.350 0.113 -0.154 0.293 141 T C -1.229 173.570 174.700 0.165 0.000 0.964 141 T CA 0.034 62.200 62.100 0.111 0.000 1.085 141 T CB 0.987 69.920 68.868 0.108 0.000 0.921 141 T HN 0.377 8.651 8.240 0.056 0.000 0.502 142 A N 8.118 131.080 122.820 0.238 0.000 2.350 142 A HA 0.201 4.803 4.320 0.471 0.000 0.293 142 A C -1.696 176.175 177.584 0.479 0.000 1.231 142 A CA -0.861 51.444 52.037 0.448 0.000 0.883 142 A CB 0.263 19.541 19.000 0.464 0.000 1.133 142 A HN 0.511 8.786 8.150 0.209 0.000 0.533 143 V N 6.935 127.118 119.914 0.448 0.000 2.304 143 V HA 0.125 4.482 4.120 0.131 -0.158 0.269 143 V C -1.208 174.786 176.094 -0.167 0.000 1.036 143 V CA -1.335 61.058 62.300 0.156 0.000 0.840 143 V CB 0.517 32.406 31.823 0.110 0.000 1.036 143 V HN 0.429 8.944 8.190 0.541 0.000 0.466 144 I N 8.164 128.543 120.570 -0.318 0.000 2.452 144 I HA 0.058 3.534 4.170 -1.383 -0.136 0.287 144 I C -0.603 175.303 176.117 -0.353 0.000 1.079 144 I CA 0.120 61.020 61.300 -0.667 0.000 1.387 144 I CB -0.027 37.755 38.000 -0.362 0.000 1.404 144 I HN 0.486 8.622 8.210 -0.123 0.000 0.522 145 E N 8.910 128.902 120.200 -0.347 0.000 2.249 145 E HA 0.417 4.885 4.350 -0.168 -0.219 0.280 145 E C 0.220 176.759 176.600 -0.102 0.000 1.016 145 E CA -1.494 54.801 56.400 -0.175 0.000 0.830 145 E CB 2.726 32.370 29.700 -0.093 0.000 1.081 145 E HN 0.209 8.284 8.360 -0.476 0.000 0.395 146 N N 6.680 125.378 118.700 -0.004 0.000 2.371 146 N HA -0.034 4.879 4.740 0.076 -0.127 0.243 146 N C -0.214 175.369 175.510 0.123 0.000 1.287 146 N CA 0.037 53.141 53.050 0.090 0.000 0.911 146 N CB 0.960 39.560 38.487 0.189 0.000 1.142 146 N HN -0.145 8.227 8.380 -0.013 0.000 0.451 147 T N -6.070 108.545 114.554 0.101 0.000 2.901 147 T HA 0.452 4.605 4.350 -0.328 0.000 0.293 147 T C 0.295 175.003 174.700 0.012 0.000 1.084 147 T CA -2.416 59.633 62.100 -0.084 0.000 1.008 147 T CB 3.300 72.132 68.868 -0.060 0.000 1.170 147 T HN -0.138 8.094 8.240 0.146 0.095 0.509 148 A N -0.152 122.554 122.820 -0.191 0.000 2.066 148 A HA 0.010 4.536 4.320 0.050 -0.176 0.218 148 A C 0.630 178.177 177.584 -0.062 0.000 1.157 148 A CA 1.732 53.742 52.037 -0.045 0.000 0.670 148 A CB 0.036 18.996 19.000 -0.066 0.000 0.804 148 A HN 0.257 8.128 8.150 -0.465 0.000 0.453 149 G N -5.414 103.371 108.800 -0.024 0.000 2.149 149 G HA2 -0.410 3.741 3.960 0.047 0.000 0.235 149 G HA3 -0.410 3.211 3.960 -0.565 0.000 0.235 149 G C -0.768 173.989 174.900 -0.237 0.000 1.018 149 G CA -0.195 44.790 45.100 -0.193 0.000 0.728 149 G HN 0.068 8.327 8.290 0.018 0.042 0.508 150 Q N -1.243 118.488 119.800 -0.115 0.000 2.392 150 Q HA -0.004 4.368 4.340 -0.124 -0.106 0.262 150 Q C 1.392 177.342 176.000 -0.083 0.000 1.003 150 Q CA 0.599 56.344 55.803 -0.097 0.000 0.888 150 Q CB 0.231 28.939 28.738 -0.050 0.000 1.260 150 Q HN -0.334 7.889 8.270 -0.079 0.000 0.435 151 G N 4.161 112.908 108.800 -0.089 0.000 2.611 151 G HA2 -0.448 3.464 3.960 -0.080 0.000 0.301 151 G HA3 -0.448 3.465 3.960 -0.077 0.000 0.301 151 G C -0.263 174.568 174.900 -0.115 0.000 1.233 151 G CA 1.096 46.144 45.100 -0.087 0.000 0.993 151 G HN 0.553 8.788 8.290 -0.092 0.000 0.553 152 S N 3.033 118.623 115.700 -0.185 0.000 2.582 152 S HA -0.032 4.243 4.470 -0.326 0.000 0.234 152 S C -0.202 174.229 174.600 -0.281 0.000 0.961 152 S CA 0.154 58.103 58.200 -0.418 0.000 0.953 152 S CB 0.195 62.898 63.200 -0.828 0.000 0.800 152 S HN 0.035 8.244 8.310 -0.167 0.000 0.471 153 N N 3.045 121.712 118.700 -0.054 0.000 2.483 153 N HA -0.119 4.787 4.740 0.039 -0.143 0.264 153 N C -0.434 175.224 175.510 0.247 0.000 1.197 153 N CA 1.884 54.977 53.050 0.071 0.000 0.927 153 N CB 0.590 39.138 38.487 0.102 0.000 1.065 153 N HN -0.591 7.683 8.380 -0.054 0.074 0.461 154 L N 1.894 123.236 121.223 0.199 0.000 2.440 154 L HA -0.061 4.465 4.340 0.310 0.000 0.262 154 L C 1.232 178.229 176.870 0.212 0.000 1.072 154 L CA -0.386 54.561 54.840 0.177 0.000 0.798 154 L CB 1.083 43.092 42.059 -0.084 0.000 1.307 154 L HN 0.181 8.487 8.230 0.126 0.000 0.475 155 G N -2.799 106.143 108.800 0.236 0.000 2.141 155 G HA2 -0.368 3.705 3.960 0.188 0.000 0.242 155 G HA3 -0.368 3.672 3.960 0.133 0.000 0.242 155 G C 0.440 175.437 174.900 0.162 0.000 0.982 155 G CA 1.163 46.379 45.100 0.192 0.000 0.662 155 G HN 0.035 8.489 8.290 0.275 0.000 0.527 156 F N -4.639 115.423 119.950 0.187 0.000 2.569 156 F HA 0.352 5.091 4.527 0.051 -0.182 0.295 156 F C -0.367 175.384 175.800 -0.081 0.000 1.115 156 F CA -1.137 56.885 58.000 0.036 0.000 1.450 156 F CB 0.402 39.410 39.000 0.015 0.000 1.107 156 F HN -0.869 7.418 8.300 0.052 0.045 0.563 157 K N -0.004 119.954 120.400 -0.737 0.000 2.159 157 K HA 0.164 4.319 4.320 -0.275 0.000 0.266 157 K C 0.941 177.352 176.600 -0.316 0.000 0.975 157 K CA -1.445 54.475 56.287 -0.612 0.000 0.865 157 K CB 1.192 33.075 32.500 -1.028 0.000 1.087 157 K HN -1.070 6.397 8.250 -1.305 0.000 0.446 158 F N 2.739 122.655 119.950 -0.056 0.000 2.202 158 F HA -0.383 4.102 4.527 -0.071 0.000 0.301 158 F C 1.666 177.399 175.800 -0.111 0.000 1.082 158 F CA 3.600 61.549 58.000 -0.084 0.000 1.313 158 F CB -0.014 38.939 39.000 -0.078 0.000 1.024 158 F HN 0.343 8.493 8.300 -0.250 0.000 0.495 159 E N -1.712 118.502 120.200 0.023 0.000 2.160 159 E HA -0.405 3.956 4.350 0.017 0.000 0.195 159 E C 2.195 178.819 176.600 0.040 0.000 0.991 159 E CA 3.480 59.879 56.400 -0.001 0.000 0.810 159 E CB -1.067 28.616 29.700 -0.029 0.000 0.742 159 E HN 0.481 8.807 8.360 -0.020 0.022 0.466 160 H N -0.052 118.972 119.070 -0.077 0.000 2.321 160 H HA -0.279 4.217 4.556 -0.099 0.000 0.300 160 H C 2.439 177.731 175.328 -0.061 0.000 1.087 160 H CA 2.493 58.482 56.048 -0.099 0.000 1.319 160 H CB 0.024 29.686 29.762 -0.167 0.000 1.379 160 H HN -0.476 7.566 8.280 -0.199 0.119 0.501 161 L N -1.749 119.529 121.223 0.092 0.000 2.046 161 L HA -0.404 3.941 4.340 0.009 0.000 0.208 161 L C 1.841 178.677 176.870 -0.056 0.000 1.077 161 L CA 2.722 57.572 54.840 0.016 0.000 0.747 161 L CB -0.669 41.409 42.059 0.033 0.000 0.896 161 L HN -0.732 7.561 8.230 0.106 0.000 0.432 162 A N -1.714 121.070 122.820 -0.060 0.000 1.902 162 A HA -0.396 3.817 4.320 -0.178 0.000 0.217 162 A C 1.456 178.995 177.584 -0.076 0.000 1.181 162 A CA 2.891 54.863 52.037 -0.108 0.000 0.623 162 A CB -0.899 18.051 19.000 -0.083 0.000 0.818 162 A HN -0.310 7.826 8.150 -0.024 0.000 0.443 163 A N -1.314 121.489 122.820 -0.029 0.000 1.933 163 A HA -0.274 4.031 4.320 -0.025 0.000 0.218 163 A C 2.057 179.624 177.584 -0.029 0.000 1.175 163 A CA 2.648 54.672 52.037 -0.021 0.000 0.628 163 A CB -0.545 18.454 19.000 -0.001 0.000 0.814 163 A HN -0.453 7.694 8.150 -0.006 0.000 0.444 164 I N -1.350 119.204 120.570 -0.027 0.000 2.179 164 I HA -0.493 3.673 4.170 -0.008 0.000 0.242 164 I C 2.787 178.880 176.117 -0.040 0.000 1.088 164 I CA 3.969 65.259 61.300 -0.018 0.000 1.357 164 I CB 0.129 38.132 38.000 0.005 0.000 1.051 164 I HN -0.635 7.563 8.210 -0.020 0.000 0.409 165 I N 0.059 120.567 120.570 -0.104 0.000 2.264 165 I HA -0.595 3.495 4.170 -0.134 0.000 0.248 165 I C 2.290 178.344 176.117 -0.105 0.000 1.111 165 I CA 4.213 65.410 61.300 -0.173 0.000 1.382 165 I CB -0.512 37.235 38.000 -0.422 0.000 1.060 165 I HN -0.318 7.821 8.210 -0.117 0.000 0.418 166 D N -0.449 119.902 120.400 -0.081 0.000 2.182 166 D HA -0.237 4.383 4.640 -0.033 0.000 0.201 166 D C 2.397 178.688 176.300 -0.016 0.000 0.986 166 D CA 3.130 57.107 54.000 -0.038 0.000 0.847 166 D CB -0.721 40.061 40.800 -0.030 0.000 0.942 166 D HN -0.039 8.265 8.370 -0.089 0.012 0.467 167 G N -2.571 106.222 108.800 -0.013 0.000 2.813 167 G HA2 -0.064 3.898 3.960 0.003 0.000 0.209 167 G HA3 -0.064 3.897 3.960 0.001 0.000 0.209 167 G C -0.313 174.595 174.900 0.012 0.000 1.150 167 G CA -0.209 44.892 45.100 0.001 0.000 0.785 167 G HN -0.581 7.571 8.290 -0.021 0.125 0.535 168 V N 1.521 121.443 119.914 0.013 0.000 2.488 168 V HA -0.178 4.140 4.120 0.037 -0.176 0.277 168 V C 0.020 176.136 176.094 0.038 0.000 1.046 168 V CA -0.855 61.465 62.300 0.032 0.000 0.986 168 V CB -0.617 31.231 31.823 0.041 0.000 0.989 168 V HN -0.689 7.329 8.190 -0.000 0.171 0.475 169 E N 8.728 128.953 120.200 0.042 0.000 2.028 169 E HA -0.236 4.136 4.350 0.037 0.000 0.190 169 E C 0.520 177.151 176.600 0.051 0.000 0.984 169 E CA 3.079 59.503 56.400 0.041 0.000 0.800 169 E CB 0.497 30.218 29.700 0.035 0.000 0.758 169 E HN 0.167 8.877 8.360 0.042 -0.325 0.448 170 D N -1.189 119.246 120.400 0.058 0.000 2.494 170 D HA 0.114 4.790 4.640 0.060 0.000 0.217 170 D C 0.016 176.369 176.300 0.089 0.000 1.153 170 D CA -1.503 52.536 54.000 0.065 0.000 0.954 170 D CB -0.646 40.189 40.800 0.058 0.000 1.034 170 D HN 0.025 8.429 8.370 0.057 0.000 0.518 171 K N 3.797 124.260 120.400 0.105 0.000 2.442 171 K HA -0.254 4.163 4.320 0.161 0.000 0.198 171 K C 1.603 178.316 176.600 0.189 0.000 1.042 171 K CA 2.035 58.423 56.287 0.169 0.000 0.958 171 K CB -0.075 32.554 32.500 0.215 0.000 0.766 171 K HN -0.131 8.174 8.250 0.092 0.000 0.474 172 S N -0.102 115.668 115.700 0.117 0.000 2.447 172 S HA -0.224 4.296 4.470 0.083 0.000 0.233 172 S C 0.224 174.886 174.600 0.104 0.000 1.006 172 S CA 2.863 61.117 58.200 0.091 0.000 0.957 172 S CB -0.071 63.162 63.200 0.056 0.000 0.773 172 S HN -0.482 8.016 8.310 0.097 -0.130 0.507 173 R N -0.585 119.984 120.500 0.115 0.000 2.652 173 R HA 0.339 4.745 4.340 0.109 0.000 0.372 173 R C -2.048 174.343 176.300 0.151 0.000 1.104 173 R CA -1.285 54.884 56.100 0.115 0.000 1.072 173 R CB 0.401 30.754 30.300 0.088 0.000 1.367 173 R HN -0.729 7.562 8.270 0.115 0.048 0.577 174 V N -1.069 118.955 119.914 0.184 0.000 2.823 174 V HA 0.754 5.186 4.120 0.207 -0.188 0.312 174 V C -1.990 174.254 176.094 0.249 0.000 1.072 174 V CA -2.990 59.426 62.300 0.195 0.000 0.937 174 V CB 3.123 35.026 31.823 0.132 0.000 1.013 174 V HN -0.949 7.297 8.190 0.199 0.064 0.430 175 G N 4.023 112.945 108.800 0.202 0.000 2.706 175 G HA2 0.735 4.935 3.960 0.337 0.000 0.307 175 G HA3 0.735 4.849 3.960 0.221 -0.022 0.307 175 G C -3.036 171.930 174.900 0.110 0.000 1.307 175 G CA 0.083 45.317 45.100 0.223 0.000 0.790 175 G HN 0.052 8.451 8.290 0.181 0.000 0.503 176 V N -6.519 113.464 119.914 0.115 0.000 3.007 176 V HA 0.918 5.215 4.120 -0.019 -0.189 0.311 176 V C -2.522 173.579 176.094 0.011 0.000 1.120 176 V CA -3.773 58.554 62.300 0.045 0.000 0.980 176 V CB 3.297 35.183 31.823 0.104 0.000 1.033 176 V HN 0.423 8.711 8.190 0.163 0.000 0.429 177 C N 3.444 122.699 119.300 -0.075 0.000 2.369 177 C HA 0.749 5.374 4.460 -0.094 -0.221 0.322 177 C C -1.389 173.502 174.990 -0.164 0.000 1.258 177 C CA -2.547 56.387 59.018 -0.141 0.000 1.487 177 C CB 1.997 29.580 27.740 -0.263 0.000 2.165 177 C HN 0.196 8.367 8.230 -0.097 0.000 0.483 178 I N 6.938 127.421 120.570 -0.146 0.000 2.321 178 I HA 0.623 4.964 4.170 -0.081 -0.219 0.291 178 I C -1.082 174.995 176.117 -0.065 0.000 0.998 178 I CA -2.044 59.194 61.300 -0.103 0.000 1.227 178 I CB 0.538 38.453 38.000 -0.141 0.000 1.368 178 I HN -0.019 8.120 8.210 -0.118 0.000 0.466 179 D N 8.348 128.709 120.400 -0.065 0.000 2.329 179 D HA 0.527 5.362 4.640 -0.025 -0.210 0.232 179 D C 1.474 177.775 176.300 0.002 0.000 1.088 179 D CA -1.812 52.132 54.000 -0.094 0.000 0.835 179 D CB 2.808 43.377 40.800 -0.385 0.000 1.078 179 D HN 0.430 9.149 8.370 -0.040 -0.373 0.495 180 T N 5.156 119.750 114.554 0.067 0.000 2.788 180 T HA -0.359 4.076 4.350 0.141 0.000 0.268 180 T C 1.187 175.987 174.700 0.168 0.000 1.044 180 T CA 3.840 66.019 62.100 0.132 0.000 1.139 180 T CB -0.440 68.522 68.868 0.157 0.000 0.867 180 T HN 0.238 8.525 8.240 0.078 0.000 0.454 181 C N 3.020 122.380 119.300 0.100 0.000 2.432 181 C HA -0.416 4.194 4.460 0.249 0.000 0.277 181 C C 1.699 176.905 174.990 0.360 0.000 1.249 181 C CA 3.327 62.462 59.018 0.196 0.000 1.725 181 C CB -2.065 25.709 27.740 0.057 0.000 2.028 181 C HN -0.373 7.982 8.230 0.003 -0.123 0.477 182 H N -0.020 119.152 119.070 0.170 0.000 2.352 182 H HA -0.426 4.235 4.556 0.175 0.000 0.299 182 H C 2.352 177.794 175.328 0.190 0.000 1.097 182 H CA 2.417 58.567 56.048 0.170 0.000 1.311 182 H CB -0.148 29.690 29.762 0.127 0.000 1.377 182 H HN -0.587 8.025 8.280 0.117 -0.262 0.504 183 A N -0.667 122.351 122.820 0.331 0.000 1.883 183 A HA -0.345 4.172 4.320 0.328 0.000 0.217 183 A C 1.439 179.241 177.584 0.363 0.000 1.186 183 A CA 3.086 55.313 52.037 0.316 0.000 0.624 183 A CB -0.589 18.535 19.000 0.207 0.000 0.822 183 A HN -0.099 8.227 8.150 0.293 0.000 0.444 184 F N 0.616 120.690 119.950 0.207 0.000 2.102 184 F HA -0.206 4.710 4.527 0.299 -0.210 0.298 184 F C 1.694 177.583 175.800 0.147 0.000 1.105 184 F CA 2.672 60.812 58.000 0.232 0.000 1.239 184 F CB 0.157 39.284 39.000 0.212 0.000 0.991 184 F HN -0.517 8.070 8.300 0.478 0.000 0.474 185 A N -1.452 121.483 122.820 0.192 0.000 1.978 185 A HA -0.237 4.022 4.320 -0.101 0.000 0.220 185 A C 1.704 179.188 177.584 -0.167 0.000 1.170 185 A CA 2.623 54.656 52.037 -0.006 0.000 0.636 185 A CB -0.745 18.329 19.000 0.123 0.000 0.810 185 A HN 0.090 8.463 8.150 0.371 0.000 0.448 186 A N -5.121 117.650 122.820 -0.082 0.000 2.167 186 A HA 0.028 4.229 4.320 -0.199 0.000 0.214 186 A C -0.011 177.344 177.584 -0.382 0.000 1.151 186 A CA 0.182 52.130 52.037 -0.148 0.000 0.735 186 A CB 0.359 19.410 19.000 0.084 0.000 0.802 186 A HN -0.493 7.567 8.150 0.046 0.118 0.467 187 G N -3.568 104.915 108.800 -0.528 0.000 2.143 187 G HA2 -0.215 2.865 3.960 -1.467 0.000 0.175 187 G HA3 -0.215 3.261 3.960 -0.807 0.000 0.175 187 G C -0.522 174.109 174.900 -0.448 0.000 1.004 187 G CA -0.364 44.229 45.100 -0.845 0.000 0.671 187 G HN -0.596 7.277 8.290 -0.412 0.169 0.512 188 Y N -0.249 120.032 120.300 -0.031 0.000 2.404 188 Y HA 0.001 4.588 4.550 0.062 0.000 0.344 188 Y C -1.113 174.956 175.900 0.282 0.000 0.970 188 Y CA -0.235 57.908 58.100 0.071 0.000 1.180 188 Y CB 0.068 38.480 38.460 -0.080 0.000 1.138 188 Y HN -0.310 7.976 8.280 0.010 0.000 0.510 189 D N 3.559 124.201 120.400 0.403 0.000 2.339 189 D HA 0.065 4.936 4.640 0.385 0.000 0.245 189 D C -0.717 175.667 176.300 0.141 0.000 1.115 189 D CA 0.239 54.370 54.000 0.218 0.000 0.917 189 D CB 1.968 42.646 40.800 -0.203 0.000 1.192 189 D HN 0.103 8.672 8.370 0.332 0.000 0.428 190 L N -0.701 120.594 121.223 0.119 0.000 3.520 190 L HA 0.177 4.454 4.340 -0.105 0.000 0.323 190 L C -0.124 176.663 176.870 -0.137 0.000 1.246 190 L CA -0.408 54.403 54.840 -0.048 0.000 1.085 190 L CB 0.553 42.582 42.059 -0.051 0.000 1.477 190 L HN 0.226 8.575 8.230 0.199 0.000 0.624 191 R N -2.753 117.687 120.500 -0.101 0.000 2.236 191 R HA -0.022 4.380 4.340 -0.159 -0.157 0.208 191 R C 0.014 176.240 176.300 -0.123 0.000 1.036 191 R CA 1.359 57.384 56.100 -0.126 0.000 1.001 191 R CB 1.114 31.361 30.300 -0.089 0.000 0.896 191 R HN -0.554 8.017 8.270 -0.068 -0.342 0.464 192 T N -5.761 108.716 114.554 -0.128 0.000 2.906 192 T HA 0.513 4.812 4.350 -0.084 0.000 0.295 192 T C -2.213 172.384 174.700 -0.173 0.000 1.075 192 T CA -3.315 58.719 62.100 -0.109 0.000 1.005 192 T CB 1.822 70.643 68.868 -0.077 0.000 1.136 192 T HN -0.883 7.367 8.240 -0.138 -0.092 0.498 193 P HA -0.209 3.918 4.420 -0.488 0.000 0.216 193 P C 1.068 178.220 177.300 -0.247 0.000 1.153 193 P CA 3.107 66.072 63.100 -0.225 0.000 0.858 193 P CB -0.302 31.446 31.700 0.079 0.000 0.789 194 A N -4.081 118.681 122.820 -0.097 0.000 1.902 194 A HA -0.302 4.011 4.320 -0.010 0.000 0.217 194 A C 2.097 179.627 177.584 -0.089 0.000 1.181 194 A CA 2.984 54.990 52.037 -0.051 0.000 0.623 194 A CB -0.672 18.320 19.000 -0.013 0.000 0.818 194 A HN 0.211 8.322 8.150 -0.065 0.000 0.443 195 E N -1.582 118.542 120.200 -0.126 0.000 2.106 195 E HA -0.340 3.974 4.350 -0.060 0.000 0.192 195 E C 2.185 178.686 176.600 -0.165 0.000 0.984 195 E CA 2.857 59.191 56.400 -0.110 0.000 0.806 195 E CB -0.071 29.564 29.700 -0.108 0.000 0.750 195 E HN -0.526 7.756 8.360 -0.130 0.000 0.458 196 C N -0.217 118.859 119.300 -0.373 0.000 2.413 196 C HA -0.211 4.044 4.460 -0.341 0.000 0.276 196 C C 2.308 177.053 174.990 -0.409 0.000 1.236 196 C CA 4.046 62.700 59.018 -0.606 0.000 1.735 196 C CB -1.835 25.006 27.740 -1.499 0.000 2.031 196 C HN -0.069 7.913 8.230 -0.412 0.000 0.474 197 E N 0.418 120.420 120.200 -0.329 0.000 2.077 197 E HA -0.377 4.197 4.350 0.373 0.000 0.193 197 E C 1.809 178.519 176.600 0.184 0.000 0.989 197 E CA 2.490 58.978 56.400 0.146 0.000 0.800 197 E CB -0.858 28.984 29.700 0.237 0.000 0.746 197 E HN -0.096 8.008 8.360 -0.426 0.000 0.452 198 K N -1.361 119.092 120.400 0.089 0.000 2.026 198 K HA -0.311 4.091 4.320 0.137 0.000 0.208 198 K C 2.407 179.100 176.600 0.154 0.000 1.048 198 K CA 3.402 59.760 56.287 0.117 0.000 0.929 198 K CB -0.169 32.376 32.500 0.075 0.000 0.713 198 K HN -0.415 7.850 8.250 0.025 0.000 0.439 199 T N 1.321 115.936 114.554 0.100 0.000 2.708 199 T HA -0.250 4.222 4.350 0.203 0.000 0.266 199 T C 1.978 176.679 174.700 0.002 0.000 1.037 199 T CA 5.122 67.260 62.100 0.063 0.000 1.146 199 T CB -0.244 68.569 68.868 -0.090 0.000 0.865 199 T HN -0.263 8.007 8.240 0.050 0.000 0.435 200 F N -0.061 120.045 119.950 0.259 0.000 2.456 200 F HA -0.163 4.535 4.527 0.284 0.000 0.298 200 F C 1.438 177.487 175.800 0.415 0.000 1.104 200 F CA 2.968 61.195 58.000 0.377 0.000 1.435 200 F CB -0.642 38.735 39.000 0.628 0.000 1.078 200 F HN -0.176 8.286 8.300 0.270 0.000 0.546 201 A N -0.072 123.007 122.820 0.431 0.000 1.930 201 A HA -0.392 4.143 4.320 0.359 0.000 0.217 201 A C 1.288 179.018 177.584 0.244 0.000 1.175 201 A CA 3.355 55.585 52.037 0.321 0.000 0.627 201 A CB -0.902 18.243 19.000 0.241 0.000 0.815 201 A HN 0.118 8.503 8.150 0.391 0.000 0.443 202 D N -0.409 120.140 120.400 0.248 0.000 2.097 202 D HA -0.282 4.483 4.640 0.208 0.000 0.195 202 D C 2.207 178.638 176.300 0.217 0.000 0.989 202 D CA 2.870 57.026 54.000 0.261 0.000 0.827 202 D CB -0.102 40.912 40.800 0.357 0.000 0.966 202 D HN -0.617 7.908 8.370 0.258 0.000 0.456 203 F N 1.268 121.168 119.950 -0.082 0.000 2.120 203 F HA -0.419 3.636 4.527 -0.786 0.000 0.300 203 F C 1.358 177.003 175.800 -0.258 0.000 1.095 203 F CA 3.253 60.916 58.000 -0.562 0.000 1.249 203 F CB -0.120 38.309 39.000 -0.951 0.000 0.995 203 F HN -0.385 8.048 8.300 0.223 0.000 0.480 204 A N -1.674 121.115 122.820 -0.052 0.000 1.933 204 A HA -0.303 3.927 4.320 -0.149 0.000 0.218 204 A C 2.495 180.041 177.584 -0.065 0.000 1.175 204 A CA 2.900 54.931 52.037 -0.010 0.000 0.628 204 A CB -0.797 18.395 19.000 0.318 0.000 0.814 204 A HN -0.083 8.105 8.150 0.195 0.080 0.444 205 R N -3.218 117.276 120.500 -0.011 0.000 2.115 205 R HA -0.208 4.138 4.340 0.010 0.000 0.226 205 R C 2.110 178.383 176.300 -0.044 0.000 1.100 205 R CA 2.635 58.736 56.100 0.001 0.000 0.980 205 R CB 0.133 30.462 30.300 0.048 0.000 0.875 205 R HN -0.179 8.111 8.270 0.033 0.000 0.445 206 T N -4.516 109.978 114.554 -0.099 0.000 3.004 206 T HA -0.032 4.290 4.350 -0.047 0.000 0.243 206 T C 1.122 175.706 174.700 -0.194 0.000 1.020 206 T CA 2.328 64.373 62.100 -0.092 0.000 1.145 206 T CB 1.400 70.272 68.868 0.007 0.000 0.876 206 T HN -0.454 7.669 8.240 -0.134 0.037 0.449 207 V N 0.064 119.720 119.914 -0.430 0.000 2.721 207 V HA 0.154 4.088 4.120 -0.310 0.000 0.236 207 V C -0.172 175.699 176.094 -0.371 0.000 1.116 207 V CA 1.142 63.144 62.300 -0.496 0.000 1.148 207 V CB 1.756 33.082 31.823 -0.829 0.000 0.886 207 V HN -0.269 7.572 8.190 -0.582 0.000 0.490 208 G N -2.783 105.642 108.800 -0.626 0.000 2.907 208 G HA2 -0.218 3.734 3.960 -0.191 0.000 0.686 208 G HA3 -0.218 3.686 3.960 -0.093 0.000 0.686 208 G C 0.157 174.934 174.900 -0.204 0.000 1.115 208 G CA -0.646 44.290 45.100 -0.273 0.000 0.760 208 G HN -0.670 7.022 8.290 -0.996 0.000 0.620 209 F N 1.900 121.839 119.950 -0.018 0.000 2.408 209 F HA -0.318 4.425 4.527 0.360 0.000 0.300 209 F C 1.367 177.180 175.800 0.022 0.000 1.090 209 F CA 2.678 60.754 58.000 0.127 0.000 1.427 209 F CB -0.041 38.986 39.000 0.046 0.000 1.070 209 F HN 0.233 8.712 8.300 0.298 0.000 0.549 210 K N -1.363 119.070 120.400 0.056 0.000 2.280 210 K HA -0.329 3.955 4.320 -0.060 0.000 0.202 210 K C 0.315 176.784 176.600 -0.218 0.000 1.047 210 K CA 2.329 58.538 56.287 -0.130 0.000 0.942 210 K CB -1.362 30.971 32.500 -0.280 0.000 0.739 210 K HN 0.059 8.293 8.250 0.044 0.042 0.457 211 Y N -3.996 116.329 120.300 0.041 0.000 2.466 211 Y HA 0.012 4.589 4.550 0.044 0.000 0.272 211 Y C -0.730 175.226 175.900 0.092 0.000 1.169 211 Y CA -0.271 57.855 58.100 0.045 0.000 1.285 211 Y CB 0.503 38.961 38.460 -0.003 0.000 1.078 211 Y HN -0.829 7.448 8.280 0.059 0.038 0.523 212 L N -0.404 120.963 121.223 0.240 0.000 2.369 212 L HA -0.080 4.510 4.340 0.196 -0.132 0.279 212 L C -0.061 176.893 176.870 0.141 0.000 1.108 212 L CA 0.738 55.695 54.840 0.194 0.000 0.852 212 L CB -0.027 42.134 42.059 0.170 0.000 1.169 212 L HN -0.716 7.481 8.230 0.224 0.167 0.452 213 R N 4.282 124.852 120.500 0.115 0.000 2.509 213 R HA 0.236 4.637 4.340 0.101 0.000 0.297 213 R C -0.515 175.835 176.300 0.083 0.000 0.951 213 R CA -1.389 54.771 56.100 0.099 0.000 1.103 213 R CB 1.939 32.298 30.300 0.099 0.000 1.283 213 R HN 0.739 9.072 8.270 0.105 0.000 0.534 214 G N -3.428 105.415 108.800 0.071 0.000 2.523 214 G HA2 0.283 4.425 3.960 0.101 0.000 0.291 214 G HA3 0.283 4.270 3.960 0.045 0.000 0.291 214 G C -2.733 172.194 174.900 0.046 0.000 1.450 214 G CA 0.427 45.567 45.100 0.067 0.000 0.790 214 G HN -0.771 7.558 8.290 0.065 0.000 0.496 215 M N -1.141 118.508 119.600 0.081 0.000 2.518 215 M HA 0.439 5.075 4.480 -0.002 -0.157 0.300 215 M C -1.517 174.889 176.300 0.177 0.000 1.175 215 M CA -0.731 54.608 55.300 0.066 0.000 0.890 215 M CB 5.444 38.096 32.600 0.086 0.000 1.710 215 M HN 0.248 8.608 8.290 0.118 0.000 0.453 216 H N 1.114 120.199 119.070 0.024 0.000 2.551 216 H HA 0.536 5.302 4.556 0.012 -0.203 0.321 216 H C -0.777 174.558 175.328 0.011 0.000 1.028 216 H CA -2.117 53.931 56.048 0.002 0.000 1.215 216 H CB 2.180 31.922 29.762 -0.033 0.000 1.414 216 H HN 0.425 8.631 8.280 0.055 0.107 0.480 217 L N 5.907 127.216 121.223 0.144 0.000 2.287 217 L HA 0.251 4.788 4.340 0.328 0.000 0.280 217 L C -1.351 175.533 176.870 0.023 0.000 1.055 217 L CA -0.753 54.195 54.840 0.180 0.000 0.863 217 L CB -0.503 41.651 42.059 0.158 0.000 1.245 217 L HN 0.312 8.498 8.230 0.111 0.110 0.432 218 N N 3.707 122.456 118.700 0.081 0.000 2.295 218 N HA 0.418 5.107 4.740 -0.085 0.000 0.293 218 N C -1.671 173.924 175.510 0.141 0.000 1.040 218 N CA -1.122 51.906 53.050 -0.036 0.000 0.840 218 N CB 3.861 42.180 38.487 -0.280 0.000 1.468 218 N HN -0.003 8.508 8.380 0.218 0.000 0.478 219 D N 2.777 123.208 120.400 0.052 0.000 2.414 219 D HA 0.050 4.859 4.640 0.282 0.000 0.251 219 D C -1.245 175.151 176.300 0.160 0.000 1.252 219 D CA -1.099 52.994 54.000 0.154 0.000 0.999 219 D CB 2.153 42.983 40.800 0.049 0.000 1.093 219 D HN -0.190 8.139 8.370 -0.068 0.000 0.515 220 A N -1.859 121.045 122.820 0.139 0.000 2.335 220 A HA 0.425 5.030 4.320 0.259 -0.130 0.304 220 A C -0.682 177.048 177.584 0.243 0.000 1.118 220 A CA -1.531 50.633 52.037 0.212 0.000 0.757 220 A CB 2.576 21.718 19.000 0.237 0.000 1.188 220 A HN 0.062 8.257 8.150 0.074 0.000 0.460 221 K N 4.388 124.935 120.400 0.244 0.000 2.167 221 K HA -0.104 4.355 4.320 0.230 0.000 0.203 221 K C 0.447 177.156 176.600 0.183 0.000 1.052 221 K CA 1.934 58.332 56.287 0.185 0.000 0.956 221 K CB 0.678 33.204 32.500 0.043 0.000 0.735 221 K HN 0.142 8.538 8.250 0.243 0.000 0.451 222 S N -1.404 114.421 115.700 0.208 0.000 2.624 222 S HA -0.039 4.519 4.470 0.146 0.000 0.263 222 S C -0.544 174.234 174.600 0.297 0.000 1.287 222 S CA -0.030 58.287 58.200 0.195 0.000 0.990 222 S CB 1.064 64.360 63.200 0.160 0.000 0.950 222 S HN -0.669 7.775 8.310 0.223 0.000 0.561 223 T N -3.445 111.232 114.554 0.204 0.000 2.936 223 T HA 0.164 4.754 4.350 0.400 0.000 0.282 223 T C -0.138 174.560 174.700 -0.004 0.000 1.003 223 T CA -1.543 60.690 62.100 0.221 0.000 1.005 223 T CB 1.366 70.311 68.868 0.129 0.000 1.097 223 T HN -0.084 8.233 8.240 0.128 0.000 0.532 224 F N 2.445 122.160 119.950 -0.391 0.000 2.590 224 F HA -0.579 3.031 4.527 -1.744 -0.130 0.389 224 F C 1.065 176.578 175.800 -0.478 0.000 1.049 224 F CA 2.052 59.496 58.000 -0.925 0.000 1.199 224 F CB 0.187 38.782 39.000 -0.674 0.000 1.058 224 F HN 0.022 8.396 8.300 0.124 0.000 0.556 225 G N 7.457 115.649 108.800 -1.014 0.000 2.162 225 G HA2 -0.396 3.223 3.960 -0.795 0.000 0.260 225 G HA3 -0.396 3.010 3.960 -0.924 0.000 0.260 225 G C -0.149 174.495 174.900 -0.428 0.000 0.976 225 G CA 0.489 45.105 45.100 -0.807 0.000 0.655 225 G HN 0.265 7.952 8.290 -1.005 0.000 0.533 226 S N 0.677 116.203 115.700 -0.290 0.000 2.447 226 S HA -0.228 4.144 4.470 -0.164 0.000 0.233 226 S C 0.867 175.369 174.600 -0.164 0.000 1.006 226 S CA 1.721 59.820 58.200 -0.169 0.000 0.957 226 S CB 0.824 63.978 63.200 -0.076 0.000 0.773 226 S HN -0.458 7.612 8.310 -0.298 0.061 0.507 227 R N -2.811 117.576 120.500 -0.188 0.000 3.525 227 R HA -0.400 4.031 4.340 -0.185 -0.202 0.276 227 R C -2.063 174.169 176.300 -0.114 0.000 1.116 227 R CA 0.805 56.792 56.100 -0.189 0.000 0.745 227 R CB -2.655 27.473 30.300 -0.287 0.000 1.185 227 R HN -0.266 7.731 8.270 -0.209 0.147 0.454 228 V N -2.317 117.568 119.914 -0.049 0.000 2.540 228 V HA 0.125 4.362 4.120 -0.019 -0.129 0.302 228 V C -1.721 174.410 176.094 0.062 0.000 1.035 228 V CA -1.838 60.460 62.300 -0.003 0.000 0.873 228 V CB 3.305 35.132 31.823 0.007 0.000 0.992 228 V HN -0.858 7.274 8.190 -0.041 0.033 0.428 229 D N 7.623 128.065 120.400 0.071 0.000 2.479 229 D HA 0.185 4.972 4.640 0.245 0.000 0.218 229 D C -1.314 175.095 176.300 0.182 0.000 1.131 229 D CA -0.884 53.217 54.000 0.167 0.000 0.916 229 D CB -0.247 40.619 40.800 0.111 0.000 1.022 229 D HN 0.041 8.785 8.370 0.037 -0.352 0.515 230 R N 3.420 124.067 120.500 0.246 0.000 2.500 230 R HA 0.356 4.755 4.340 0.099 0.000 0.299 230 R C -0.935 175.552 176.300 0.312 0.000 1.038 230 R CA -1.401 54.805 56.100 0.178 0.000 0.903 230 R CB 2.733 33.089 30.300 0.093 0.000 1.177 230 R HN -0.317 8.124 8.270 0.286 0.000 0.455 231 H N 4.286 123.432 119.070 0.127 0.000 2.603 231 H HA 0.239 5.047 4.556 0.179 -0.145 0.370 231 H C -0.642 174.762 175.328 0.126 0.000 1.225 231 H CA -0.302 55.833 56.048 0.146 0.000 1.410 231 H CB 1.570 31.414 29.762 0.137 0.000 1.495 231 H HN 0.267 8.665 8.280 0.197 0.000 0.602 232 H N -1.217 117.969 119.070 0.193 0.000 2.985 232 H HA 0.229 4.843 4.556 0.097 0.000 0.360 232 H C -1.330 174.026 175.328 0.048 0.000 1.221 232 H CA -1.755 54.351 56.048 0.097 0.000 1.121 232 H CB 3.818 33.617 29.762 0.061 0.000 1.854 232 H HN -0.015 8.366 8.280 0.325 0.094 0.551 233 S N 0.675 116.549 115.700 0.289 0.000 2.568 233 S HA -0.106 4.452 4.470 0.051 -0.058 0.282 233 S C 0.327 174.822 174.600 -0.174 0.000 1.338 233 S CA 1.651 59.870 58.200 0.032 0.000 1.045 233 S CB 0.462 63.675 63.200 0.021 0.000 0.873 233 S HN 0.411 9.090 8.310 0.614 0.000 0.516 234 L N 2.528 123.591 121.223 -0.268 0.000 2.559 234 L HA -0.493 3.536 4.340 -0.519 0.000 0.274 234 L C 1.278 177.939 176.870 -0.349 0.000 1.205 234 L CA 2.177 56.747 54.840 -0.449 0.000 0.907 234 L CB -1.101 40.596 42.059 -0.605 0.000 1.153 234 L HN 0.018 8.410 8.230 -0.218 -0.293 0.490 235 G N 3.497 112.180 108.800 -0.196 0.000 2.253 235 G HA2 -0.414 3.614 3.960 -0.016 0.000 0.251 235 G HA3 -0.414 3.456 3.960 -0.150 0.000 0.251 235 G C 0.159 174.958 174.900 -0.170 0.000 0.998 235 G CA 0.369 45.398 45.100 -0.119 0.000 0.621 235 G HN 0.429 8.811 8.290 -0.113 -0.160 0.524 236 E N 0.771 120.787 120.200 -0.306 0.000 2.447 236 E HA 0.106 4.278 4.350 -0.297 0.000 0.195 236 E C 0.109 176.439 176.600 -0.450 0.000 1.028 236 E CA -0.112 56.012 56.400 -0.461 0.000 0.876 236 E CB 0.693 29.917 29.700 -0.792 0.000 0.885 236 E HN -0.300 7.774 8.360 -0.332 0.087 0.500 237 G N -1.607 107.033 108.800 -0.267 0.000 2.702 237 G HA2 0.269 4.291 3.960 0.103 0.000 0.254 237 G HA3 0.269 4.453 3.960 0.060 -0.187 0.254 237 G C -0.642 174.241 174.900 -0.029 0.000 1.380 237 G CA -1.158 43.933 45.100 -0.016 0.000 1.042 237 G HN -0.784 7.585 8.290 -0.237 -0.221 0.557 238 N N -0.920 117.773 118.700 -0.012 0.000 2.463 238 N HA 0.025 4.765 4.740 0.001 0.000 0.181 238 N C 1.459 176.778 175.510 -0.317 0.000 1.078 238 N CA 1.578 54.601 53.050 -0.045 0.000 0.902 238 N CB 0.630 39.237 38.487 0.200 0.000 0.970 238 N HN 0.057 8.459 8.380 0.037 0.000 0.451 239 I N -3.926 116.361 120.570 -0.472 0.000 2.277 239 I HA -0.257 3.503 4.170 -0.684 0.000 0.243 239 I C -0.229 175.757 176.117 -0.218 0.000 1.094 239 I CA 2.688 63.688 61.300 -0.499 0.000 1.393 239 I CB 0.866 38.606 38.000 -0.434 0.000 1.078 239 I HN -0.376 7.853 8.210 -0.353 -0.230 0.417 240 G N -4.358 104.387 108.800 -0.091 0.000 2.757 240 G HA2 -0.310 3.595 3.960 -0.093 0.000 0.638 240 G HA3 -0.310 3.540 3.960 -0.184 0.000 0.638 240 G C -0.225 174.726 174.900 0.085 0.000 1.344 240 G CA -0.380 44.666 45.100 -0.089 0.000 0.855 240 G HN -0.888 7.726 8.290 -0.062 -0.361 0.537 241 H N -1.959 117.205 119.070 0.156 0.000 2.502 241 H HA -0.160 4.676 4.556 0.466 0.000 0.283 241 H C 0.489 176.051 175.328 0.390 0.000 1.015 241 H CA 1.659 57.898 56.048 0.319 0.000 1.298 241 H CB 0.008 29.877 29.762 0.179 0.000 1.411 241 H HN 0.316 8.369 8.280 -0.379 0.000 0.556 242 D N 1.028 121.561 120.400 0.222 0.000 2.144 242 D HA -0.245 4.627 4.640 0.386 0.000 0.200 242 D C 1.280 177.661 176.300 0.136 0.000 0.978 242 D CA 3.254 57.394 54.000 0.234 0.000 0.833 242 D CB -0.808 40.046 40.800 0.091 0.000 0.961 242 D HN 0.174 8.484 8.370 -0.038 0.038 0.470 243 A N -0.976 121.791 122.820 -0.088 0.000 1.940 243 A HA -0.193 4.043 4.320 -0.141 0.000 0.219 243 A C 1.836 179.276 177.584 -0.239 0.000 1.176 243 A CA 2.734 54.605 52.037 -0.277 0.000 0.631 243 A CB -0.401 18.222 19.000 -0.629 0.000 0.814 243 A HN -0.085 7.990 8.150 -0.126 0.000 0.446 244 F N -2.709 117.384 119.950 0.238 0.000 2.206 244 F HA -0.404 4.214 4.527 0.152 0.000 0.298 244 F C 2.166 178.059 175.800 0.155 0.000 1.090 244 F CA 3.774 61.914 58.000 0.234 0.000 1.323 244 F CB -0.365 38.864 39.000 0.381 0.000 1.028 244 F HN -0.831 7.390 8.300 -0.101 0.019 0.492 245 R N -0.872 119.814 120.500 0.310 0.000 2.091 245 R HA -0.483 3.815 4.340 -0.069 0.000 0.238 245 R C 1.957 178.312 176.300 0.093 0.000 1.136 245 R CA 3.931 60.085 56.100 0.090 0.000 0.959 245 R CB -0.376 30.001 30.300 0.129 0.000 0.856 245 R HN -0.577 7.968 8.270 0.459 0.000 0.437 246 W N -0.343 120.941 121.300 -0.026 0.000 2.355 246 W HA -0.321 4.326 4.660 -0.023 0.000 0.309 246 W C 2.080 178.547 176.519 -0.087 0.000 1.206 246 W CA 3.572 60.891 57.345 -0.043 0.000 1.284 246 W CB 0.018 29.461 29.460 -0.029 0.000 1.145 246 W HN -0.335 8.041 8.180 0.327 0.000 0.502 247 I N -0.941 119.671 120.570 0.069 0.000 2.179 247 I HA -0.625 3.218 4.170 -0.545 0.000 0.242 247 I C 2.396 178.358 176.117 -0.258 0.000 1.088 247 I CA 3.738 64.842 61.300 -0.327 0.000 1.357 247 I CB -0.099 37.645 38.000 -0.427 0.000 1.051 247 I HN -0.278 8.052 8.210 0.201 0.000 0.409 248 M N -2.419 117.099 119.600 -0.136 0.000 2.279 248 M HA -0.342 4.076 4.480 -0.103 0.000 0.264 248 M C 2.000 178.209 176.300 -0.151 0.000 1.062 248 M CA 1.143 56.369 55.300 -0.123 0.000 1.099 248 M CB -1.660 30.865 32.600 -0.125 0.000 1.394 248 M HN -0.429 7.815 8.290 -0.076 0.000 0.426 249 Q N -5.256 114.424 119.800 -0.200 0.000 2.319 249 Q HA -0.007 4.227 4.340 -0.177 0.000 0.202 249 Q C -0.687 175.146 176.000 -0.279 0.000 0.896 249 Q CA 0.080 55.753 55.803 -0.217 0.000 0.942 249 Q CB 0.611 29.230 28.738 -0.199 0.000 1.083 249 Q HN -0.685 7.414 8.270 -0.214 0.042 0.510 250 D N -0.030 120.184 120.400 -0.310 0.000 2.303 250 D HA 0.167 4.581 4.640 -0.376 0.000 0.236 250 D C 0.004 176.183 176.300 -0.202 0.000 1.068 250 D CA -1.208 52.584 54.000 -0.346 0.000 0.830 250 D CB 1.886 42.346 40.800 -0.567 0.000 1.109 250 D HN -0.900 7.143 8.370 -0.265 0.168 0.496 251 D N 6.587 126.838 120.400 -0.249 0.000 2.350 251 D HA -0.165 4.545 4.640 -0.165 -0.168 0.216 251 D C 1.482 177.610 176.300 -0.286 0.000 0.968 251 D CA 1.425 55.296 54.000 -0.216 0.000 0.894 251 D CB -0.448 40.236 40.800 -0.195 0.000 0.909 251 D HN 0.566 8.776 8.370 -0.267 0.000 0.520 252 R N -1.183 119.021 120.500 -0.493 0.000 2.285 252 R HA -0.197 3.827 4.340 -0.526 0.000 0.213 252 R C 1.212 177.121 176.300 -0.651 0.000 1.068 252 R CA 2.113 57.785 56.100 -0.713 0.000 1.004 252 R CB -0.157 29.368 30.300 -1.291 0.000 0.873 252 R HN -0.311 7.885 8.270 -0.521 -0.239 0.467 253 F N -2.984 116.873 119.950 -0.156 0.000 2.639 253 F HA 0.075 4.590 4.527 -0.020 0.000 0.300 253 F C -0.801 174.957 175.800 -0.071 0.000 1.109 253 F CA -0.513 57.437 58.000 -0.083 0.000 1.335 253 F CB -0.091 38.839 39.000 -0.117 0.000 1.014 253 F HN -0.790 7.299 8.300 -0.251 0.060 0.537 254 D N 0.344 120.740 120.400 -0.008 0.000 2.313 254 D HA -0.006 4.659 4.640 -0.062 -0.063 0.247 254 D C 1.035 177.339 176.300 0.007 0.000 1.094 254 D CA 0.621 54.594 54.000 -0.045 0.000 0.925 254 D CB 0.691 41.433 40.800 -0.098 0.000 1.188 254 D HN -0.791 7.456 8.370 -0.075 0.077 0.430 255 G N 2.155 110.956 108.800 0.002 0.000 2.148 255 G HA2 -0.303 3.842 3.960 0.308 0.000 0.254 255 G HA3 -0.303 3.740 3.960 0.138 0.000 0.254 255 G C -1.183 173.903 174.900 0.310 0.000 0.981 255 G CA 0.552 45.769 45.100 0.194 0.000 0.670 255 G HN 0.423 8.630 8.290 -0.137 0.000 0.528 256 I N -7.410 113.339 120.570 0.298 0.000 2.828 256 I HA 0.719 5.007 4.170 0.198 0.000 0.302 256 I C -2.704 173.564 176.117 0.251 0.000 1.101 256 I CA -4.123 57.315 61.300 0.230 0.000 1.031 256 I CB 2.229 40.326 38.000 0.163 0.000 1.231 256 I HN -0.880 7.438 8.210 0.256 0.046 0.427 257 P HA 0.044 4.563 4.420 0.166 0.000 0.271 257 P C -1.611 175.774 177.300 0.142 0.000 1.226 257 P CA -0.089 63.090 63.100 0.132 0.000 0.765 257 P CB 0.346 32.073 31.700 0.044 0.000 0.835 258 L N 4.587 125.894 121.223 0.140 0.000 2.295 258 L HA 0.406 4.972 4.340 0.132 -0.147 0.281 258 L C -1.335 175.584 176.870 0.082 0.000 1.018 258 L CA -0.855 54.056 54.840 0.119 0.000 0.841 258 L CB 1.243 43.363 42.059 0.101 0.000 1.218 258 L HN 0.147 8.469 8.230 0.153 0.000 0.424 259 I N 3.037 123.663 120.570 0.093 0.000 2.389 259 I HA 0.288 4.560 4.170 -0.052 -0.133 0.288 259 I C -0.729 175.342 176.117 -0.076 0.000 0.999 259 I CA -2.969 58.326 61.300 -0.008 0.000 1.129 259 I CB 1.104 39.103 38.000 -0.001 0.000 1.288 259 I HN 0.553 8.856 8.210 0.156 0.000 0.444 260 L N 7.472 128.583 121.223 -0.188 0.000 2.410 260 L HA 0.013 4.471 4.340 -0.137 -0.200 0.273 260 L C 0.151 176.867 176.870 -0.257 0.000 1.152 260 L CA 0.556 55.256 54.840 -0.233 0.000 0.855 260 L CB 0.089 41.918 42.059 -0.383 0.000 1.129 260 L HN 0.657 8.651 8.230 -0.215 0.106 0.463 261 E N 0.840 120.994 120.200 -0.078 0.000 2.989 261 E HA 0.272 4.654 4.350 0.054 0.000 0.207 261 E C -0.822 175.970 176.600 0.320 0.000 0.989 261 E CA -1.020 55.438 56.400 0.097 0.000 1.186 261 E CB 0.767 30.558 29.700 0.151 0.000 1.141 261 E HN 0.133 8.663 8.360 -0.058 -0.205 0.454 262 T N -2.336 112.393 114.554 0.292 0.000 2.813 262 T HA 0.041 4.566 4.350 0.292 0.000 0.297 262 T C 0.705 175.657 174.700 0.421 0.000 1.036 262 T CA -0.361 61.944 62.100 0.343 0.000 1.044 262 T CB 1.259 70.284 68.868 0.262 0.000 0.993 262 T HN -0.255 8.024 8.240 0.191 0.075 0.535 263 I N -5.411 115.307 120.570 0.247 0.000 3.883 263 I HA 0.166 4.413 4.170 0.129 0.000 0.326 263 I C -0.898 175.218 176.117 -0.001 0.000 1.283 263 I CA -0.788 60.583 61.300 0.119 0.000 1.161 263 I CB -0.277 37.761 38.000 0.064 0.000 1.012 263 I HN 0.298 8.649 8.210 0.234 0.000 0.421 264 N N 1.539 120.208 118.700 -0.053 0.000 2.682 264 N HA 0.443 5.050 4.740 -0.222 0.000 0.252 264 N C -1.676 173.494 175.510 -0.566 0.000 1.081 264 N CA -3.467 49.452 53.050 -0.218 0.000 0.844 264 N CB 0.394 38.819 38.487 -0.103 0.000 1.167 264 N HN -0.448 7.896 8.380 0.040 0.060 0.523 265 P HA -0.159 2.269 4.420 -3.319 0.000 0.222 265 P C 0.661 177.467 177.300 -0.823 0.000 1.147 265 P CA 1.574 63.641 63.100 -1.722 0.000 0.790 265 P CB 0.302 31.147 31.700 -1.426 0.000 0.780 266 D N -1.532 118.601 120.400 -0.445 0.000 2.263 266 D HA -0.180 4.343 4.640 -0.195 0.000 0.208 266 D C 1.015 177.230 176.300 -0.140 0.000 0.971 266 D CA 2.446 56.311 54.000 -0.225 0.000 0.867 266 D CB 0.203 40.910 40.800 -0.155 0.000 0.929 266 D HN -0.257 7.988 8.370 -0.424 -0.130 0.492 267 I N -8.353 112.128 120.570 -0.150 0.000 4.025 267 I HA 0.395 4.562 4.170 -0.005 0.000 0.336 267 I C 0.903 177.091 176.117 0.119 0.000 1.390 267 I CA -1.005 60.284 61.300 -0.019 0.000 1.099 267 I CB 0.026 38.010 38.000 -0.026 0.000 1.049 267 I HN -0.690 7.324 8.210 -0.247 0.047 0.394 268 W N 2.422 123.723 121.300 0.000 0.000 2.338 268 W HA -0.243 4.421 4.660 0.007 0.000 0.304 268 W C 1.775 178.309 176.519 0.025 0.000 1.212 268 W CA 2.971 60.323 57.345 0.011 0.000 1.264 268 W CB -1.493 27.977 29.460 0.016 0.000 1.142 268 W HN -0.552 7.525 8.180 0.010 0.109 0.512 269 A N -2.445 120.523 122.820 0.248 0.000 1.902 269 A HA -0.274 4.276 4.320 0.161 -0.134 0.217 269 A C 1.967 179.633 177.584 0.137 0.000 1.181 269 A CA 2.963 55.097 52.037 0.160 0.000 0.623 269 A CB -0.937 18.130 19.000 0.112 0.000 0.818 269 A HN 0.356 8.643 8.150 0.228 0.000 0.443 270 E N -1.495 118.778 120.200 0.122 0.000 2.106 270 E HA -0.403 4.014 4.350 0.112 0.000 0.192 270 E C 2.615 179.304 176.600 0.149 0.000 0.984 270 E CA 3.246 59.712 56.400 0.111 0.000 0.806 270 E CB -0.394 29.345 29.700 0.065 0.000 0.750 270 E HN 0.074 8.503 8.360 0.115 0.000 0.458 271 E N 0.030 120.319 120.200 0.148 0.000 2.072 271 E HA -0.274 4.160 4.350 0.140 0.000 0.191 271 E C 2.644 179.368 176.600 0.208 0.000 0.985 271 E CA 2.890 59.383 56.400 0.156 0.000 0.801 271 E CB -0.018 29.756 29.700 0.123 0.000 0.750 271 E HN -0.300 8.153 8.360 0.156 0.000 0.452 272 I N -0.127 120.538 120.570 0.159 0.000 2.179 272 I HA -0.546 3.691 4.170 0.112 0.000 0.242 272 I C 1.698 177.894 176.117 0.131 0.000 1.088 272 I CA 4.410 65.786 61.300 0.126 0.000 1.357 272 I CB -0.168 37.894 38.000 0.102 0.000 1.051 272 I HN 0.003 8.309 8.210 0.160 0.000 0.409 273 A N -0.341 122.563 122.820 0.140 0.000 1.933 273 A HA -0.318 4.051 4.320 0.080 0.000 0.218 273 A C 1.395 179.061 177.584 0.135 0.000 1.175 273 A CA 3.146 55.252 52.037 0.115 0.000 0.628 273 A CB -0.777 18.287 19.000 0.107 0.000 0.814 273 A HN -0.234 8.003 8.150 0.145 0.000 0.444 274 W N -0.295 121.011 121.300 0.010 0.000 2.355 274 W HA -0.364 4.294 4.660 -0.003 0.000 0.309 274 W C 1.340 177.862 176.519 0.006 0.000 1.206 274 W CA 4.685 62.030 57.345 0.001 0.000 1.284 274 W CB 0.045 29.501 29.460 -0.006 0.000 1.145 274 W HN -0.423 7.963 8.180 0.343 0.000 0.502 275 L N -2.143 119.181 121.223 0.168 0.000 2.012 275 L HA -0.654 3.563 4.340 -0.205 0.000 0.210 275 L C 2.263 179.048 176.870 -0.141 0.000 1.073 275 L CA 3.258 58.077 54.840 -0.034 0.000 0.748 275 L CB -0.355 41.775 42.059 0.119 0.000 0.891 275 L HN -0.205 8.238 8.230 0.355 0.000 0.431 276 K N -2.051 118.313 120.400 -0.060 0.000 2.063 276 K HA -0.333 4.071 4.320 -0.071 -0.127 0.208 276 K C 3.045 179.565 176.600 -0.133 0.000 1.048 276 K CA 2.993 59.236 56.287 -0.073 0.000 0.928 276 K CB -0.137 32.349 32.500 -0.023 0.000 0.713 276 K HN -0.327 7.922 8.250 -0.001 0.000 0.442 277 A N -2.142 120.577 122.820 -0.169 0.000 2.019 277 A HA -0.208 4.028 4.320 -0.140 0.000 0.219 277 A C 1.257 178.673 177.584 -0.280 0.000 1.164 277 A CA 2.694 54.611 52.037 -0.199 0.000 0.644 277 A CB -0.520 18.369 19.000 -0.185 0.000 0.805 277 A HN -0.358 7.703 8.150 -0.148 0.000 0.449 278 Q N -4.224 115.324 119.800 -0.419 0.000 2.369 278 Q HA -0.222 3.880 4.340 -0.397 0.000 0.206 278 Q C 1.337 177.189 176.000 -0.247 0.000 0.963 278 Q CA 1.013 56.564 55.803 -0.420 0.000 0.894 278 Q CB -0.760 27.609 28.738 -0.616 0.000 0.965 278 Q HN -0.584 7.267 8.270 -0.468 0.138 0.475 279 Q N -3.997 115.683 119.800 -0.200 0.000 2.181 279 Q HA -0.210 4.171 4.340 -0.152 -0.131 0.205 279 Q C 1.296 177.218 176.000 -0.131 0.000 0.980 279 Q CA 2.454 58.166 55.803 -0.151 0.000 0.862 279 Q CB 0.474 29.135 28.738 -0.128 0.000 0.905 279 Q HN -0.591 7.511 8.270 -0.207 0.043 0.429 280 T N -7.876 106.603 114.554 -0.126 0.000 3.043 280 T HA 0.115 4.409 4.350 -0.093 0.000 0.272 280 T C 0.629 175.274 174.700 -0.092 0.000 0.990 280 T CA -0.681 61.360 62.100 -0.099 0.000 0.897 280 T CB 1.372 70.190 68.868 -0.084 0.000 1.111 280 T HN -0.650 7.477 8.240 -0.140 0.029 0.529 281 E N 2.070 122.202 120.200 -0.114 0.000 2.816 281 E HA -0.008 4.295 4.350 -0.078 0.000 0.260 281 E C -0.287 176.269 176.600 -0.073 0.000 1.414 281 E CA -0.129 56.212 56.400 -0.097 0.000 1.074 281 E CB 0.653 30.273 29.700 -0.134 0.000 1.123 281 E HN -0.669 7.606 8.360 -0.142 0.000 0.664 282 K N 0.280 120.650 120.400 -0.050 0.000 2.504 282 K HA -0.253 4.053 4.320 -0.023 0.000 0.278 282 K C 0.118 176.705 176.600 -0.021 0.000 1.025 282 K CA 0.180 56.452 56.287 -0.025 0.000 1.093 282 K CB 0.218 32.715 32.500 -0.004 0.000 0.873 282 K HN 0.144 8.365 8.250 -0.049 0.000 0.483 283 A N 4.924 127.734 122.820 -0.017 0.000 2.524 283 A HA -0.123 4.182 4.320 -0.026 0.000 0.250 283 A C -0.316 177.283 177.584 0.025 0.000 1.078 283 A CA 0.139 52.170 52.037 -0.010 0.000 0.761 283 A CB 0.104 19.096 19.000 -0.014 0.000 1.012 283 A HN 0.211 8.351 8.150 -0.017 0.000 0.500 284 V N -1.505 118.441 119.914 0.055 0.000 3.003 284 V HA 0.079 4.258 4.120 0.098 0.000 0.305 284 V C -0.688 175.479 176.094 0.121 0.000 1.078 284 V CA -1.049 61.316 62.300 0.108 0.000 1.083 284 V CB 1.198 33.125 31.823 0.173 0.000 1.039 284 V HN -0.079 8.138 8.190 0.044 0.000 0.481 285 A N 0.000 122.905 122.820 0.141 0.000 2.254 285 A HA 0.000 4.386 4.320 0.110 0.000 0.244 285 A CA 0.000 52.126 52.037 0.148 0.000 0.836 285 A CB 0.000 19.070 19.000 0.117 0.000 0.831 285 A HN 0.000 8.229 8.150 0.131 0.000 0.486