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 3lh3_1_H DATA FIRST_RESID 41 DATA SEQUENCE DETPASYNLA VRRAAPAVVN VYNXXXXXXX XXXXXXRTLG SGVIMDQRGY DATA SEQUENCE IITNKHVIND ADQIIVALQD GRVFEALLVG SDSLTDLAVL KINATGGLPT DATA SEQUENCE IPINARRVPH IGDVVLAIGN PYNLGQTITQ GIISATGRIG LNPTGRQNFL DATA SEQUENCE QTDASINHGN XGGALVNSLG ELMGINTLSF DKXXXXXTPE GIGFAIPFQL DATA SEQUENCE ATKIMDKLIR D 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 41 D HA 0.000 4.635 4.640 -0.008 0.000 0.175 41 D C 0.000 176.293 176.300 -0.011 0.000 2.045 41 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 41 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 42 E N 1.645 121.838 120.200 -0.012 0.000 2.313 42 E HA 0.185 4.526 4.350 -0.016 0.000 0.276 42 E C -0.507 176.082 176.600 -0.018 0.000 1.031 42 E CA -0.165 56.226 56.400 -0.015 0.000 0.857 42 E CB 0.576 30.268 29.700 -0.014 0.000 1.040 42 E HN -0.039 8.314 8.360 -0.011 0.000 0.408 43 T N 0.833 115.373 114.554 -0.024 0.000 2.895 43 T HA 0.285 4.620 4.350 -0.025 0.000 0.283 43 T C -1.563 173.114 174.700 -0.038 0.000 1.014 43 T CA -3.241 58.842 62.100 -0.029 0.000 1.037 43 T CB 0.639 69.487 68.868 -0.032 0.000 1.006 43 T HN -0.033 8.192 8.240 -0.025 0.000 0.468 44 P HA -0.015 4.378 4.420 -0.045 0.000 0.268 44 P C -1.031 176.221 177.300 -0.080 0.000 1.204 44 P CA -0.119 62.951 63.100 -0.051 0.000 0.768 44 P CB 0.433 32.108 31.700 -0.043 0.000 0.842 45 A N 3.086 125.847 122.820 -0.098 0.000 2.511 45 A HA -0.128 4.090 4.320 -0.171 0.000 0.242 45 A C -0.366 177.080 177.584 -0.231 0.000 1.069 45 A CA 0.723 52.660 52.037 -0.167 0.000 0.763 45 A CB -0.040 18.866 19.000 -0.158 0.000 1.001 45 A HN 0.080 8.182 8.150 -0.081 0.000 0.498 46 S N 1.611 117.098 115.700 -0.356 0.000 2.543 46 S HA 0.071 4.344 4.470 -0.328 0.000 0.274 46 S C -1.111 173.207 174.600 -0.470 0.000 1.149 46 S CA -0.131 57.863 58.200 -0.342 0.000 0.866 46 S CB 0.814 63.929 63.200 -0.141 0.000 1.111 46 S HN -0.152 7.924 8.310 -0.391 0.000 0.457 47 Y N 2.242 122.542 120.300 0.000 0.000 2.720 47 Y HA 0.198 4.747 4.550 -0.002 0.000 0.277 47 Y C 0.047 175.946 175.900 -0.002 0.000 1.144 47 Y CA -0.792 57.308 58.100 -0.001 0.000 1.221 47 Y CB -0.294 38.165 38.460 -0.001 0.000 1.163 47 Y HN 0.226 8.475 8.280 -0.052 0.000 0.537 48 N N 1.584 120.325 118.700 0.070 0.000 2.289 48 N HA -0.337 4.439 4.740 0.060 0.000 0.184 48 N C 1.128 176.665 175.510 0.045 0.000 1.016 48 N CA 3.056 56.135 53.050 0.049 0.000 0.872 48 N CB 0.297 38.793 38.487 0.016 0.000 0.973 48 N HN -0.489 7.826 8.380 0.015 0.074 0.433 49 L N -0.709 120.540 121.223 0.043 0.000 2.046 49 L HA -0.266 4.089 4.340 0.024 0.000 0.208 49 L C 0.917 177.812 176.870 0.042 0.000 1.077 49 L CA 2.953 57.814 54.840 0.035 0.000 0.747 49 L CB -0.347 41.731 42.059 0.032 0.000 0.896 49 L HN -0.148 8.088 8.230 0.039 0.017 0.432 50 A N -2.318 120.542 122.820 0.067 0.000 1.933 50 A HA -0.372 3.966 4.320 0.030 0.000 0.218 50 A C 2.108 179.711 177.584 0.033 0.000 1.175 50 A CA 2.919 54.984 52.037 0.048 0.000 0.628 50 A CB -0.822 18.214 19.000 0.061 0.000 0.814 50 A HN -0.655 7.554 8.150 0.097 0.000 0.444 51 V N -1.497 118.444 119.914 0.046 0.000 2.307 51 V HA -0.608 3.528 4.120 0.026 0.000 0.245 51 V C 2.395 178.503 176.094 0.024 0.000 1.045 51 V CA 4.205 66.525 62.300 0.034 0.000 1.024 51 V CB -0.353 31.495 31.823 0.042 0.000 0.651 51 V HN -0.666 7.480 8.190 0.064 0.082 0.449 52 R N -0.837 119.678 120.500 0.024 0.000 2.096 52 R HA -0.284 4.067 4.340 0.018 0.000 0.235 52 R C 2.166 178.474 176.300 0.013 0.000 1.127 52 R CA 3.376 59.487 56.100 0.018 0.000 0.968 52 R CB -0.228 30.082 30.300 0.016 0.000 0.861 52 R HN -0.254 8.033 8.270 0.028 0.000 0.440 53 R N -3.822 116.685 120.500 0.011 0.000 2.119 53 R HA -0.140 4.202 4.340 0.004 0.000 0.222 53 R C 0.646 176.945 176.300 -0.001 0.000 1.088 53 R CA 2.722 58.825 56.100 0.004 0.000 0.984 53 R CB 0.368 30.668 30.300 0.000 0.000 0.884 53 R HN -0.578 7.686 8.270 0.014 0.015 0.447 54 A N -3.412 119.407 122.820 -0.001 0.000 1.984 54 A HA 0.215 4.528 4.320 -0.011 0.000 0.203 54 A C 1.302 178.886 177.584 -0.000 0.000 1.292 54 A CA 1.058 53.090 52.037 -0.007 0.000 0.782 54 A CB 0.634 19.624 19.000 -0.016 0.000 0.924 54 A HN -0.544 7.609 8.150 0.004 0.000 0.475 55 A N -0.126 122.698 122.820 0.006 0.000 1.948 55 A HA -0.109 4.215 4.320 0.007 0.000 0.220 55 A C -0.975 176.617 177.584 0.014 0.000 1.177 55 A CA 4.276 56.318 52.037 0.010 0.000 0.636 55 A CB -2.388 16.621 19.000 0.015 0.000 0.815 55 A HN -0.006 8.148 8.150 0.008 0.000 0.449 56 P HA -0.238 4.197 4.420 0.025 0.000 0.219 56 P C -0.022 177.291 177.300 0.022 0.000 1.146 56 P CA 1.999 65.112 63.100 0.021 0.000 0.808 56 P CB -0.395 31.317 31.700 0.021 0.000 0.779 57 A N -5.269 117.560 122.820 0.014 0.000 2.238 57 A HA 0.099 4.428 4.320 0.016 0.000 0.208 57 A C -1.409 176.181 177.584 0.010 0.000 1.177 57 A CA -0.395 51.649 52.037 0.012 0.000 0.804 57 A CB 0.600 19.603 19.000 0.005 0.000 0.823 57 A HN -0.554 7.578 8.150 0.010 0.024 0.482 58 V N -0.709 119.211 119.914 0.009 0.000 2.383 58 V HA 0.439 4.720 4.120 -0.001 -0.161 0.275 58 V C -0.166 175.930 176.094 0.004 0.000 1.036 58 V CA -0.206 62.095 62.300 0.002 0.000 0.889 58 V CB 0.719 32.540 31.823 -0.004 0.000 0.985 58 V HN -0.747 7.291 8.190 0.010 0.158 0.459 59 V N 1.899 121.811 119.914 -0.003 0.000 2.850 59 V HA 0.462 4.678 4.120 0.017 -0.087 0.315 59 V C -1.051 175.013 176.094 -0.051 0.000 1.064 59 V CA -3.175 59.124 62.300 -0.000 0.000 0.979 59 V CB 2.806 34.642 31.823 0.021 0.000 1.039 59 V HN 0.442 8.627 8.190 -0.008 0.000 0.452 60 N N 1.820 120.477 118.700 -0.072 0.000 2.444 60 N HA 0.218 4.810 4.740 -0.247 0.000 0.271 60 N C -0.743 174.552 175.510 -0.359 0.000 1.069 60 N CA -1.133 51.772 53.050 -0.241 0.000 0.965 60 N CB 0.735 39.084 38.487 -0.231 0.000 1.092 60 N HN -0.100 8.267 8.380 -0.021 0.000 0.476 61 V N 3.654 123.307 119.914 -0.435 0.000 2.398 61 V HA 0.516 4.697 4.120 -0.184 -0.171 0.286 61 V C -1.274 174.562 176.094 -0.430 0.000 1.026 61 V CA -0.833 61.285 62.300 -0.303 0.000 0.868 61 V CB 1.576 33.314 31.823 -0.142 0.000 0.982 61 V HN -0.092 7.746 8.190 -0.412 0.104 0.443 62 Y N 5.218 125.535 120.300 0.028 0.000 2.485 62 Y HA 0.383 4.950 4.550 0.029 0.000 0.345 62 Y C -0.493 175.425 175.900 0.030 0.000 0.998 62 Y CA -1.613 56.504 58.100 0.029 0.000 1.059 62 Y CB 3.502 41.980 38.460 0.030 0.000 1.234 62 Y HN 0.752 9.079 8.280 0.079 0.000 0.461 78 T N 0.384 115.007 114.554 0.115 0.000 2.903 78 T HA 0.471 4.917 4.350 0.160 0.000 0.299 78 T C -1.791 172.984 174.700 0.125 0.000 1.093 78 T CA -0.727 61.449 62.100 0.127 0.000 1.002 78 T CB 2.932 71.857 68.868 0.095 0.000 1.127 78 T HN -0.101 8.206 8.240 0.112 0.000 0.488 79 L N -0.561 120.721 121.223 0.098 0.000 2.409 79 L HA 1.018 5.496 4.340 -0.026 -0.153 0.262 79 L C -1.275 175.516 176.870 -0.132 0.000 0.992 79 L CA -1.366 53.474 54.840 0.001 0.000 0.817 79 L CB 3.265 45.383 42.059 0.098 0.000 1.350 79 L HN 0.320 8.624 8.230 0.122 0.000 0.411 80 G N -0.008 108.672 108.800 -0.201 0.000 2.871 80 G HA2 0.383 4.347 3.960 -0.218 0.000 0.282 80 G HA3 0.383 4.242 3.960 -0.169 0.000 0.282 80 G C -2.115 172.665 174.900 -0.200 0.000 1.212 80 G CA -0.170 44.811 45.100 -0.198 0.000 0.812 80 G HN 0.380 8.521 8.290 -0.249 0.000 0.547 81 S N -1.106 114.509 115.700 -0.143 0.000 2.704 81 S HA 0.968 5.497 4.470 -0.139 -0.142 0.296 81 S C -0.842 173.712 174.600 -0.078 0.000 1.138 81 S CA -1.513 56.618 58.200 -0.115 0.000 0.875 81 S CB 4.159 67.309 63.200 -0.084 0.000 1.151 81 S HN 0.034 8.270 8.310 -0.123 0.000 0.500 82 G N -1.910 106.857 108.800 -0.055 0.000 2.684 82 G HA2 0.811 5.024 3.960 -0.026 0.000 0.290 82 G HA3 0.811 4.754 3.960 -0.027 0.000 0.290 82 G C -3.156 171.735 174.900 -0.014 0.000 1.425 82 G CA -0.113 44.969 45.100 -0.029 0.000 0.822 82 G HN -0.072 8.186 8.290 -0.054 0.000 0.482 83 V N -0.014 119.899 119.914 -0.001 0.000 2.525 83 V HA 0.415 4.678 4.120 0.002 -0.142 0.299 83 V C -0.883 175.218 176.094 0.013 0.000 1.034 83 V CA -1.435 60.868 62.300 0.005 0.000 0.863 83 V CB 3.382 35.210 31.823 0.009 0.000 0.999 83 V HN 0.225 8.416 8.190 0.002 0.000 0.423 84 I N 7.885 128.461 120.570 0.010 0.000 2.436 84 I HA -0.079 4.237 4.170 0.013 -0.139 0.289 84 I C -0.009 176.121 176.117 0.021 0.000 1.083 84 I CA 1.184 62.490 61.300 0.011 0.000 1.372 84 I CB -0.261 37.738 38.000 -0.002 0.000 1.408 84 I HN 0.576 8.790 8.210 0.008 0.000 0.516 85 M N 5.775 125.400 119.600 0.042 0.000 2.466 85 M HA 0.046 4.546 4.480 0.032 0.000 0.265 85 M C -0.067 176.262 176.300 0.047 0.000 1.122 85 M CA -0.372 54.955 55.300 0.045 0.000 1.157 85 M CB 0.360 32.993 32.600 0.054 0.000 1.352 85 M HN 0.363 8.687 8.290 0.057 0.000 0.464 86 D N -5.431 115.006 120.400 0.063 0.000 2.643 86 D HA 0.138 4.801 4.640 0.038 0.000 0.283 86 D C -0.284 176.037 176.300 0.036 0.000 1.242 86 D CA -1.074 52.960 54.000 0.057 0.000 0.863 86 D CB 0.850 41.702 40.800 0.086 0.000 1.382 86 D HN -0.925 7.489 8.370 0.073 0.000 0.444 87 Q N -1.236 118.578 119.800 0.024 0.000 2.291 87 Q HA -0.225 4.107 4.340 -0.014 0.000 0.206 87 Q C 0.851 176.835 176.000 -0.026 0.000 0.976 87 Q CA 1.846 57.647 55.803 -0.003 0.000 0.875 87 Q CB -0.330 28.409 28.738 0.002 0.000 0.927 87 Q HN 0.398 8.685 8.270 0.029 0.000 0.450 88 R N -4.285 116.217 120.500 0.004 0.000 2.285 88 R HA -0.262 4.041 4.340 -0.061 0.000 0.213 88 R C 0.058 176.229 176.300 -0.216 0.000 1.068 88 R CA 1.186 57.256 56.100 -0.051 0.000 1.004 88 R CB 0.520 30.872 30.300 0.086 0.000 0.873 88 R HN -0.521 7.910 8.270 0.054 -0.129 0.467 89 G N -4.118 104.574 108.800 -0.180 0.000 2.144 89 G HA2 -0.377 3.452 3.960 -0.219 0.000 0.218 89 G HA3 -0.377 3.538 3.960 -0.339 -0.158 0.218 89 G C -0.564 174.171 174.900 -0.275 0.000 0.988 89 G CA -0.322 44.618 45.100 -0.267 0.000 0.659 89 G HN -0.453 7.818 8.290 -0.088 -0.033 0.522 90 Y N 0.836 121.097 120.300 -0.065 0.000 2.359 90 Y HA 0.186 4.891 4.550 -0.050 -0.185 0.330 90 Y C -0.792 175.082 175.900 -0.043 0.000 1.143 90 Y CA 1.252 59.323 58.100 -0.048 0.000 1.318 90 Y CB 1.011 39.450 38.460 -0.035 0.000 1.234 90 Y HN -0.995 7.502 8.280 0.027 -0.200 0.522 91 I N 1.407 122.052 120.570 0.126 0.000 2.582 91 I HA 0.591 4.998 4.170 0.050 -0.207 0.292 91 I C -1.093 175.057 176.117 0.055 0.000 1.066 91 I CA -1.575 59.759 61.300 0.057 0.000 1.053 91 I CB 4.291 42.299 38.000 0.014 0.000 1.241 91 I HN 0.171 8.472 8.210 0.152 0.000 0.421 92 I N 6.641 127.232 120.570 0.035 0.000 2.428 92 I HA 0.686 5.035 4.170 0.020 -0.166 0.296 92 I C -0.905 175.215 176.117 0.005 0.000 0.985 92 I CA -0.927 60.385 61.300 0.020 0.000 1.260 92 I CB 2.552 40.563 38.000 0.018 0.000 1.389 92 I HN 0.279 8.507 8.210 0.031 0.000 0.484 93 T N 5.084 119.635 114.554 -0.005 0.000 2.731 93 T HA 0.319 4.657 4.350 -0.019 0.000 0.300 93 T C -2.194 172.488 174.700 -0.029 0.000 1.283 93 T CA -2.384 59.705 62.100 -0.018 0.000 1.005 93 T CB 1.473 70.328 68.868 -0.022 0.000 1.420 93 T HN 0.361 8.597 8.240 -0.006 0.000 0.503 94 N N 1.063 119.740 118.700 -0.038 0.000 2.488 94 N HA 0.101 4.943 4.740 -0.061 -0.139 0.274 94 N C 0.455 175.919 175.510 -0.076 0.000 1.111 94 N CA 0.246 53.263 53.050 -0.054 0.000 0.974 94 N CB 1.400 39.865 38.487 -0.036 0.000 1.089 94 N HN 0.447 8.803 8.380 -0.039 0.000 0.465 95 K N 6.414 126.724 120.400 -0.151 0.000 2.063 95 K HA -0.325 3.939 4.320 -0.093 0.000 0.208 95 K C 2.252 178.790 176.600 -0.103 0.000 1.048 95 K CA 3.137 59.326 56.287 -0.162 0.000 0.928 95 K CB 0.127 32.474 32.500 -0.255 0.000 0.713 95 K HN 0.039 8.176 8.250 -0.184 0.002 0.442 96 H N -2.106 116.964 119.070 0.000 0.000 2.491 96 H HA -0.141 4.419 4.556 0.007 0.000 0.290 96 H C 2.399 177.725 175.328 -0.003 0.000 1.050 96 H CA 2.075 58.124 56.048 0.002 0.000 1.309 96 H CB -0.017 29.748 29.762 0.004 0.000 1.392 96 H HN -0.576 7.783 8.280 -0.321 -0.272 0.554 97 V N -2.305 117.653 119.914 0.074 0.000 2.427 97 V HA -0.296 3.839 4.120 0.025 0.000 0.248 97 V C 0.355 176.469 176.094 0.032 0.000 1.051 97 V CA 2.834 65.148 62.300 0.025 0.000 1.048 97 V CB 0.668 32.475 31.823 -0.027 0.000 0.666 97 V HN -0.553 7.671 8.190 0.039 -0.011 0.456 98 I N -11.197 109.390 120.570 0.028 0.000 3.941 98 I HA 0.219 4.559 4.170 0.036 -0.149 0.335 98 I C -0.937 175.204 176.117 0.040 0.000 1.402 98 I CA -2.208 59.110 61.300 0.030 0.000 1.112 98 I CB -0.303 37.707 38.000 0.017 0.000 1.043 98 I HN -0.920 7.302 8.210 0.020 0.000 0.395 99 N N 1.428 120.162 118.700 0.057 0.000 2.513 99 N HA -0.098 4.672 4.740 0.051 0.000 0.268 99 N C -0.110 175.432 175.510 0.054 0.000 1.180 99 N CA 1.180 54.267 53.050 0.063 0.000 0.948 99 N CB 0.123 38.671 38.487 0.101 0.000 1.083 99 N HN -0.713 7.710 8.380 0.071 0.000 0.455 100 D N -2.915 117.512 120.400 0.044 0.000 2.837 100 D HA -0.354 4.307 4.640 0.034 0.000 0.230 100 D C -1.612 174.712 176.300 0.039 0.000 1.152 100 D CA 0.889 54.912 54.000 0.038 0.000 0.736 100 D CB -1.561 39.262 40.800 0.038 0.000 1.084 100 D HN 0.328 8.722 8.370 0.041 0.000 0.429 101 A N -1.417 121.427 122.820 0.040 0.000 2.328 101 A HA 0.089 4.437 4.320 0.045 0.000 0.284 101 A C -0.683 176.923 177.584 0.037 0.000 1.160 101 A CA -0.150 51.913 52.037 0.043 0.000 0.818 101 A CB 0.844 19.872 19.000 0.047 0.000 1.087 101 A HN -0.520 7.633 8.150 0.039 0.021 0.504 102 D N 1.840 122.262 120.400 0.036 0.000 2.216 102 D HA 0.007 4.664 4.640 0.028 0.000 0.208 102 D C 0.260 176.580 176.300 0.034 0.000 0.960 102 D CA 1.837 55.856 54.000 0.031 0.000 0.861 102 D CB 0.682 41.499 40.800 0.027 0.000 0.985 102 D HN 0.289 8.682 8.370 0.038 0.000 0.493 103 Q N -0.700 119.124 119.800 0.041 0.000 2.305 103 Q HA 0.268 4.634 4.340 0.043 0.000 0.271 103 Q C -2.359 173.678 176.000 0.062 0.000 1.046 103 Q CA -0.282 55.549 55.803 0.046 0.000 0.798 103 Q CB 2.747 31.510 28.738 0.041 0.000 1.286 103 Q HN -0.306 7.990 8.270 0.044 0.000 0.435 104 I N 5.732 126.340 120.570 0.064 0.000 2.339 104 I HA 0.484 4.889 4.170 0.087 -0.183 0.290 104 I C -1.237 174.939 176.117 0.099 0.000 0.994 104 I CA -0.899 60.448 61.300 0.077 0.000 1.191 104 I CB 1.564 39.598 38.000 0.057 0.000 1.343 104 I HN 0.527 8.771 8.210 0.057 0.000 0.458 105 I N 7.502 128.158 120.570 0.142 0.000 2.404 105 I HA 0.563 4.968 4.170 0.148 -0.146 0.293 105 I C -1.334 174.902 176.117 0.199 0.000 0.992 105 I CA -2.742 58.664 61.300 0.177 0.000 1.149 105 I CB 2.064 40.184 38.000 0.200 0.000 1.315 105 I HN 0.448 8.757 8.210 0.165 0.000 0.446 106 V N 7.254 127.280 119.914 0.187 0.000 2.409 106 V HA 0.495 4.858 4.120 0.110 -0.176 0.291 106 V C -2.164 174.053 176.094 0.205 0.000 1.020 106 V CA -1.838 60.561 62.300 0.165 0.000 0.848 106 V CB 3.011 34.922 31.823 0.147 0.000 0.990 106 V HN 0.536 8.845 8.190 0.197 0.000 0.430 107 A N 7.704 130.628 122.820 0.173 0.000 2.287 107 A HA 0.775 5.331 4.320 0.143 -0.150 0.317 107 A C -1.549 176.108 177.584 0.122 0.000 1.220 107 A CA -2.210 49.925 52.037 0.163 0.000 0.835 107 A CB 2.473 21.613 19.000 0.233 0.000 1.180 107 A HN 0.657 8.884 8.150 0.129 0.000 0.500 108 L N 2.720 124.017 121.223 0.124 0.000 2.456 108 L HA 0.054 4.450 4.340 0.093 0.000 0.257 108 L C 1.838 178.750 176.870 0.071 0.000 1.162 108 L CA 0.052 54.954 54.840 0.104 0.000 0.808 108 L CB 1.055 43.197 42.059 0.138 0.000 1.136 108 L HN 0.143 8.451 8.230 0.129 0.000 0.466 109 Q N 1.562 121.396 119.800 0.057 0.000 2.435 109 Q HA -0.209 4.159 4.340 0.046 0.000 0.207 109 Q C 0.417 176.440 176.000 0.039 0.000 0.956 109 Q CA 2.333 58.163 55.803 0.045 0.000 0.917 109 Q CB -0.521 28.239 28.738 0.037 0.000 0.997 109 Q HN 0.905 9.209 8.270 0.056 0.000 0.497 110 D N -4.972 115.453 120.400 0.042 0.000 2.340 110 D HA -0.056 4.600 4.640 0.028 0.000 0.220 110 D C 0.695 177.008 176.300 0.022 0.000 1.039 110 D CA -0.477 53.543 54.000 0.033 0.000 0.866 110 D CB -0.866 39.958 40.800 0.040 0.000 0.913 110 D HN -0.431 7.932 8.370 0.052 0.038 0.523 111 G N -0.627 108.186 108.800 0.021 0.000 2.218 111 G HA2 -0.418 3.547 3.960 0.007 0.000 0.216 111 G HA3 -0.418 3.539 3.960 -0.006 0.000 0.216 111 G C -0.326 174.553 174.900 -0.035 0.000 0.994 111 G CA -0.301 44.799 45.100 -0.000 0.000 0.637 111 G HN -0.643 7.616 8.290 0.032 0.051 0.505 112 R N 1.032 121.505 120.500 -0.045 0.000 2.543 112 R HA -0.023 4.184 4.340 -0.222 0.000 0.277 112 R C -1.247 174.918 176.300 -0.224 0.000 1.074 112 R CA 0.666 56.659 56.100 -0.178 0.000 1.076 112 R CB 1.133 31.343 30.300 -0.150 0.000 0.993 112 R HN -0.265 8.308 8.270 -0.004 -0.305 0.459 113 V N 2.440 122.106 119.914 -0.413 0.000 2.531 113 V HA 0.677 4.900 4.120 -0.104 -0.166 0.301 113 V C -0.416 175.392 176.094 -0.476 0.000 1.034 113 V CA -1.365 60.773 62.300 -0.269 0.000 0.865 113 V CB 2.399 34.150 31.823 -0.121 0.000 0.995 113 V HN 0.040 7.932 8.190 -0.496 0.000 0.424 114 F N 6.493 126.461 119.950 0.030 0.000 2.577 114 F HA 0.382 4.915 4.527 0.011 0.000 0.318 114 F C -1.358 174.457 175.800 0.024 0.000 1.065 114 F CA -1.540 56.470 58.000 0.017 0.000 0.929 114 F CB 4.402 43.405 39.000 0.005 0.000 1.237 114 F HN 0.589 8.995 8.300 0.176 0.000 0.468 115 E N 1.371 121.701 120.200 0.216 0.000 2.227 115 E HA 0.408 4.976 4.350 0.123 -0.144 0.282 115 E C -1.068 175.601 176.600 0.115 0.000 1.015 115 E CA -1.130 55.350 56.400 0.133 0.000 0.823 115 E CB 1.819 31.570 29.700 0.086 0.000 1.081 115 E HN 0.275 8.765 8.360 0.217 0.000 0.396 116 A N 5.896 128.766 122.820 0.082 0.000 2.312 116 A HA 0.616 5.092 4.320 0.018 -0.145 0.328 116 A C -1.488 176.111 177.584 0.024 0.000 1.158 116 A CA -1.658 50.402 52.037 0.039 0.000 0.821 116 A CB 2.473 21.495 19.000 0.037 0.000 1.170 116 A HN 0.365 8.565 8.150 0.084 0.000 0.490 117 L N -0.336 120.888 121.223 0.001 0.000 2.309 117 L HA 0.381 4.730 4.340 0.015 0.000 0.282 117 L C -0.401 176.478 176.870 0.015 0.000 1.036 117 L CA -1.553 53.291 54.840 0.007 0.000 0.806 117 L CB 1.452 43.507 42.059 -0.006 0.000 1.220 117 L HN 0.147 8.365 8.230 -0.019 0.000 0.429 118 L N 3.909 125.146 121.223 0.023 0.000 2.407 118 L HA -0.049 4.308 4.340 0.029 0.000 0.282 118 L C 0.022 176.913 176.870 0.035 0.000 1.110 118 L CA 0.608 55.464 54.840 0.027 0.000 0.863 118 L CB -1.309 40.764 42.059 0.023 0.000 1.207 118 L HN 0.361 8.605 8.230 0.022 0.000 0.454 119 V N 6.629 126.575 119.914 0.054 0.000 2.427 119 V HA -0.202 3.961 4.120 0.071 0.000 0.248 119 V C 0.079 176.197 176.094 0.039 0.000 1.051 119 V CA 1.908 64.251 62.300 0.072 0.000 1.048 119 V CB 0.579 32.486 31.823 0.139 0.000 0.666 119 V HN 0.242 8.469 8.190 0.061 0.000 0.456 120 G N -4.070 104.745 108.800 0.025 0.000 2.321 120 G HA2 0.067 4.031 3.960 0.006 0.000 0.298 120 G HA3 0.067 4.028 3.960 0.002 0.000 0.298 120 G C -3.488 171.409 174.900 -0.005 0.000 1.385 120 G CA -0.454 44.650 45.100 0.006 0.000 0.856 120 G HN -0.858 7.448 8.290 0.028 0.000 0.584 121 S N -1.713 113.977 115.700 -0.016 0.000 2.588 121 S HA 0.423 4.957 4.470 -0.033 -0.083 0.275 121 S C -2.219 172.357 174.600 -0.039 0.000 1.130 121 S CA -1.389 56.792 58.200 -0.031 0.000 0.855 121 S CB 3.412 66.592 63.200 -0.034 0.000 1.116 121 S HN -0.075 8.226 8.310 -0.015 0.000 0.472 122 D N 0.378 120.746 120.400 -0.054 0.000 2.425 122 D HA 0.390 5.002 4.640 -0.048 0.000 0.240 122 D C 0.510 176.769 176.300 -0.068 0.000 1.080 122 D CA -1.814 52.152 54.000 -0.057 0.000 0.836 122 D CB 2.189 42.952 40.800 -0.061 0.000 1.125 122 D HN 0.037 8.370 8.370 -0.061 0.000 0.525 123 S N 6.527 122.195 115.700 -0.053 0.000 2.383 123 S HA -0.242 4.192 4.470 -0.060 0.000 0.227 123 S C 1.073 175.644 174.600 -0.048 0.000 1.026 123 S CA 2.537 60.709 58.200 -0.047 0.000 0.981 123 S CB -0.109 63.080 63.200 -0.019 0.000 0.818 123 S HN 0.397 8.682 8.310 -0.042 0.000 0.472 124 L N -0.066 121.126 121.223 -0.052 0.000 2.141 124 L HA -0.129 4.181 4.340 -0.049 0.000 0.209 124 L C 1.311 178.132 176.870 -0.082 0.000 1.094 124 L CA 2.166 56.969 54.840 -0.060 0.000 0.763 124 L CB 0.744 42.765 42.059 -0.064 0.000 0.908 124 L HN -0.502 7.881 8.230 -0.052 -0.184 0.437 125 T N -8.951 105.549 114.554 -0.089 0.000 3.044 125 T HA -0.050 4.222 4.350 -0.131 0.000 0.260 125 T C 0.101 174.754 174.700 -0.079 0.000 1.019 125 T CA -1.076 60.961 62.100 -0.105 0.000 0.921 125 T CB 1.499 70.302 68.868 -0.110 0.000 1.053 125 T HN -0.766 7.534 8.240 -0.082 -0.110 0.533 126 D N 0.248 120.588 120.400 -0.099 0.000 3.012 126 D HA -0.336 4.155 4.640 -0.248 0.000 0.222 126 D C -1.666 174.553 176.300 -0.135 0.000 1.167 126 D CA 1.552 55.453 54.000 -0.165 0.000 0.854 126 D CB -1.090 39.638 40.800 -0.121 0.000 1.107 126 D HN -0.270 8.041 8.370 -0.100 0.000 0.421 127 L N -2.659 118.508 121.223 -0.093 0.000 2.375 127 L HA 0.551 4.985 4.340 -0.059 -0.129 0.268 127 L C -1.611 175.220 176.870 -0.065 0.000 1.058 127 L CA -0.818 53.983 54.840 -0.066 0.000 0.803 127 L CB 2.427 44.458 42.059 -0.047 0.000 1.212 127 L HN -0.969 7.169 8.230 -0.088 0.039 0.451 128 A N -0.485 122.308 122.820 -0.045 0.000 2.539 128 A HA 0.766 5.178 4.320 -0.030 -0.111 0.296 128 A C -2.340 175.240 177.584 -0.007 0.000 1.073 128 A CA -1.467 50.553 52.037 -0.029 0.000 0.700 128 A CB 3.955 22.938 19.000 -0.029 0.000 1.296 128 A HN 0.568 8.695 8.150 -0.037 0.000 0.405 129 V N 0.186 120.106 119.914 0.011 0.000 2.540 129 V HA 0.873 5.213 4.120 0.045 -0.193 0.302 129 V C -1.097 175.038 176.094 0.069 0.000 1.035 129 V CA -1.847 60.481 62.300 0.045 0.000 0.873 129 V CB 2.440 34.290 31.823 0.046 0.000 0.992 129 V HN 0.194 8.389 8.190 0.009 0.000 0.428 130 L N 5.027 126.296 121.223 0.077 0.000 2.286 130 L HA 0.909 5.449 4.340 0.045 -0.172 0.265 130 L C -1.283 175.608 176.870 0.035 0.000 1.012 130 L CA -2.144 52.725 54.840 0.048 0.000 0.818 130 L CB 3.345 45.416 42.059 0.019 0.000 1.337 130 L HN 0.769 9.046 8.230 0.079 0.000 0.438 131 K N 0.337 120.707 120.400 -0.051 0.000 2.507 131 K HA 0.548 4.858 4.320 -0.299 -0.169 0.251 131 K C -1.481 175.005 176.600 -0.189 0.000 0.943 131 K CA -1.182 54.981 56.287 -0.207 0.000 0.794 131 K CB 2.630 34.979 32.500 -0.252 0.000 1.188 131 K HN 0.014 8.242 8.250 -0.036 0.000 0.428 132 I N 0.485 120.892 120.570 -0.270 0.000 2.797 132 I HA 0.486 4.539 4.170 -0.195 0.000 0.307 132 I C -1.768 174.128 176.117 -0.367 0.000 1.033 132 I CA -2.664 58.452 61.300 -0.306 0.000 1.071 132 I CB 2.960 40.680 38.000 -0.466 0.000 1.255 132 I HN -0.116 7.903 8.210 -0.319 0.000 0.445 133 N N 1.987 120.504 118.700 -0.305 0.000 2.406 133 N HA -0.111 4.520 4.740 -0.183 0.000 0.269 133 N C -0.616 174.721 175.510 -0.289 0.000 1.210 133 N CA -0.098 52.828 53.050 -0.206 0.000 0.966 133 N CB -0.440 38.027 38.487 -0.033 0.000 1.293 133 N HN 0.427 8.671 8.380 -0.227 0.000 0.491 134 A N 6.530 129.193 122.820 -0.261 0.000 2.785 134 A HA 0.091 4.234 4.320 -0.295 0.000 0.294 134 A C -0.882 176.651 177.584 -0.085 0.000 1.597 134 A CA 0.028 51.936 52.037 -0.214 0.000 1.283 134 A CB -0.712 18.182 19.000 -0.176 0.000 1.088 134 A HN 0.068 8.074 8.150 -0.239 0.000 0.568 135 T N 4.669 119.214 114.554 -0.014 0.000 2.812 135 T HA 0.129 4.489 4.350 0.016 0.000 0.282 135 T C 0.129 174.875 174.700 0.077 0.000 0.990 135 T CA -0.247 61.877 62.100 0.041 0.000 0.960 135 T CB 1.031 69.941 68.868 0.070 0.000 0.948 135 T HN -0.405 7.838 8.240 0.005 0.000 0.438 136 G N 4.232 113.061 108.800 0.048 0.000 2.238 136 G HA2 -0.236 3.748 3.960 0.041 0.000 0.217 136 G HA3 -0.236 3.767 3.960 0.072 0.000 0.217 136 G C -1.413 173.511 174.900 0.040 0.000 0.996 136 G CA -0.112 45.019 45.100 0.052 0.000 0.632 136 G HN 0.361 8.669 8.290 0.031 0.000 0.503 137 G N -0.611 108.205 108.800 0.027 0.000 2.784 137 G HA2 -0.288 3.850 3.960 0.002 0.000 0.686 137 G HA3 -0.288 3.683 3.960 0.019 0.000 0.686 137 G C -2.368 172.544 174.900 0.020 0.000 1.156 137 G CA -0.458 44.651 45.100 0.015 0.000 0.757 137 G HN -0.522 7.718 8.290 0.020 0.061 0.642 138 L N 1.877 123.101 121.223 0.001 0.000 2.354 138 L HA 0.467 4.820 4.340 0.022 0.000 0.269 138 L C -2.022 174.852 176.870 0.007 0.000 1.005 138 L CA -3.221 51.619 54.840 -0.000 0.000 0.819 138 L CB 2.612 44.644 42.059 -0.046 0.000 1.311 138 L HN -0.038 8.500 8.230 -0.007 -0.312 0.423 139 P HA 0.148 4.576 4.420 0.013 0.000 0.276 139 P C -1.533 175.771 177.300 0.008 0.000 1.230 139 P CA -0.551 62.558 63.100 0.015 0.000 0.776 139 P CB 0.259 31.973 31.700 0.023 0.000 0.888 140 T N -1.738 112.820 114.554 0.005 0.000 2.932 140 T HA 0.163 4.650 4.350 0.005 -0.134 0.289 140 T C -0.099 174.601 174.700 -0.000 0.000 1.039 140 T CA -2.541 59.561 62.100 0.004 0.000 1.024 140 T CB 3.054 71.926 68.868 0.006 0.000 1.090 140 T HN -0.208 8.035 8.240 0.005 0.000 0.496 141 I N 2.051 122.619 120.570 -0.003 0.000 2.496 141 I HA 0.175 4.336 4.170 -0.015 0.000 0.285 141 I C -2.090 174.010 176.117 -0.027 0.000 1.080 141 I CA -2.877 58.414 61.300 -0.015 0.000 1.404 141 I CB 1.381 39.372 38.000 -0.015 0.000 1.403 141 I HN -0.222 7.989 8.210 0.002 0.000 0.539 142 P HA 0.036 4.431 4.420 -0.041 0.000 0.267 142 P C -1.810 175.432 177.300 -0.097 0.000 1.205 142 P CA -0.138 62.928 63.100 -0.056 0.000 0.765 142 P CB 0.451 32.117 31.700 -0.056 0.000 0.828 143 I N 2.224 122.740 120.570 -0.090 0.000 2.478 143 I HA 0.157 4.176 4.170 -0.251 0.000 0.287 143 I C -1.300 174.750 176.117 -0.112 0.000 1.042 143 I CA -0.505 60.712 61.300 -0.139 0.000 1.067 143 I CB 3.137 41.112 38.000 -0.042 0.000 1.233 143 I HN -0.087 8.086 8.210 -0.061 0.000 0.431 144 N N 7.591 126.175 118.700 -0.194 0.000 2.609 144 N HA 0.117 4.836 4.740 -0.035 0.000 0.234 144 N C 0.227 175.746 175.510 0.016 0.000 1.001 144 N CA -1.509 51.490 53.050 -0.086 0.000 0.926 144 N CB 0.093 38.525 38.487 -0.093 0.000 1.130 144 N HN 0.240 8.418 8.380 -0.337 0.000 0.510 145 A N 5.570 128.467 122.820 0.129 0.000 2.125 145 A HA -0.127 4.502 4.320 0.515 0.000 0.219 145 A C 0.878 178.586 177.584 0.208 0.000 1.156 145 A CA 2.207 54.404 52.037 0.266 0.000 0.671 145 A CB -0.013 19.077 19.000 0.151 0.000 0.794 145 A HN 0.759 8.961 8.150 0.087 0.000 0.459 146 R N -4.890 115.686 120.500 0.126 0.000 2.312 146 R HA 0.094 4.483 4.340 0.083 0.000 0.205 146 R C -0.204 176.150 176.300 0.089 0.000 0.904 146 R CA -0.394 55.759 56.100 0.088 0.000 1.052 146 R CB 0.917 31.247 30.300 0.051 0.000 1.014 146 R HN -0.565 7.958 8.270 0.094 -0.197 0.503 147 R N 1.915 122.477 120.500 0.103 0.000 2.401 147 R HA -0.137 4.226 4.340 0.039 0.000 0.299 147 R C -0.782 175.577 176.300 0.098 0.000 1.064 147 R CA 0.188 56.326 56.100 0.062 0.000 1.000 147 R CB -0.063 30.227 30.300 -0.015 0.000 0.973 147 R HN -0.625 7.688 8.270 0.110 0.023 0.438 148 V N 8.153 128.055 119.914 -0.019 0.000 2.333 148 V HA 0.253 4.349 4.120 -0.040 0.000 0.274 148 V C -1.286 174.586 176.094 -0.371 0.000 1.028 148 V CA -3.153 59.061 62.300 -0.142 0.000 0.851 148 V CB 1.061 32.774 31.823 -0.184 0.000 1.000 148 V HN 0.122 8.293 8.190 -0.031 0.000 0.456 149 P HA 0.039 4.391 4.420 -0.113 0.000 0.266 149 P C -1.619 175.496 177.300 -0.307 0.000 1.195 149 P CA -0.217 62.790 63.100 -0.155 0.000 0.768 149 P CB 0.690 32.397 31.700 0.012 0.000 0.838 150 H N 1.647 120.743 119.070 0.044 0.000 2.690 150 H HA 0.262 4.840 4.556 0.036 0.000 0.368 150 H C -0.139 175.205 175.328 0.027 0.000 1.150 150 H CA -1.464 54.605 56.048 0.033 0.000 1.174 150 H CB 4.415 34.193 29.762 0.027 0.000 1.684 150 H HN 0.165 8.762 8.280 0.026 -0.301 0.538 151 I N 2.261 122.932 120.570 0.168 0.000 2.668 151 I HA -0.540 3.809 4.170 0.076 -0.133 0.285 151 I C 1.248 177.409 176.117 0.074 0.000 1.168 151 I CA 2.160 63.516 61.300 0.093 0.000 1.424 151 I CB -0.613 37.432 38.000 0.075 0.000 1.377 151 I HN 0.584 8.906 8.210 0.187 0.000 0.560 152 G N 7.127 115.956 108.800 0.049 0.000 2.232 152 G HA2 -0.370 3.603 3.960 0.021 0.000 0.226 152 G HA3 -0.370 3.610 3.960 0.034 0.000 0.226 152 G C -0.421 174.497 174.900 0.031 0.000 0.996 152 G CA -0.591 44.529 45.100 0.033 0.000 0.626 152 G HN 0.375 8.689 8.290 0.040 0.000 0.509 153 D N 2.663 123.091 120.400 0.047 0.000 2.493 153 D HA -0.107 4.555 4.640 0.037 0.000 0.240 153 D C 0.032 176.321 176.300 -0.019 0.000 1.142 153 D CA 1.566 55.584 54.000 0.030 0.000 0.872 153 D CB 0.427 41.252 40.800 0.041 0.000 1.173 153 D HN -0.427 7.924 8.370 0.069 0.061 0.467 154 V N 2.505 122.389 119.914 -0.049 0.000 2.655 154 V HA 0.003 4.211 4.120 -0.128 -0.165 0.300 154 V C -0.055 175.937 176.094 -0.169 0.000 1.044 154 V CA 1.031 63.246 62.300 -0.142 0.000 1.095 154 V CB 0.238 31.920 31.823 -0.235 0.000 0.952 154 V HN 0.178 8.351 8.190 -0.028 0.000 0.485 155 V N 0.160 119.966 119.914 -0.180 0.000 3.007 155 V HA 0.982 5.187 4.120 -0.148 -0.173 0.311 155 V C -1.637 174.357 176.094 -0.166 0.000 1.120 155 V CA -3.191 59.020 62.300 -0.148 0.000 0.980 155 V CB 3.923 35.697 31.823 -0.082 0.000 1.033 155 V HN 0.188 8.166 8.190 -0.177 0.106 0.429 156 L N 1.204 122.348 121.223 -0.132 0.000 2.341 156 L HA 0.884 5.374 4.340 -0.103 -0.211 0.278 156 L C -1.029 175.807 176.870 -0.057 0.000 1.005 156 L CA -2.119 52.662 54.840 -0.098 0.000 0.818 156 L CB 3.090 45.099 42.059 -0.082 0.000 1.259 156 L HN 0.479 8.640 8.230 -0.115 0.000 0.418 157 A N 3.296 126.090 122.820 -0.043 0.000 2.290 157 A HA 0.813 5.292 4.320 -0.027 -0.175 0.310 157 A C -1.289 176.284 177.584 -0.018 0.000 1.202 157 A CA -1.809 50.211 52.037 -0.028 0.000 0.837 157 A CB 1.925 20.909 19.000 -0.027 0.000 1.139 157 A HN 0.579 8.703 8.150 -0.043 0.000 0.509 158 I N 3.271 123.831 120.570 -0.016 0.000 2.418 158 I HA 0.774 5.137 4.170 -0.005 -0.196 0.287 158 I C -0.661 175.447 176.117 -0.015 0.000 1.008 158 I CA -1.392 59.902 61.300 -0.010 0.000 1.104 158 I CB 1.909 39.904 38.000 -0.008 0.000 1.264 158 I HN 0.416 8.616 8.210 -0.017 0.000 0.438 159 G N 5.161 113.953 108.800 -0.014 0.000 2.561 159 G HA2 0.316 4.254 3.960 -0.036 0.000 0.310 159 G HA3 0.316 4.253 3.960 -0.038 0.000 0.310 159 G C -3.317 171.569 174.900 -0.022 0.000 1.292 159 G CA 0.423 45.505 45.100 -0.029 0.000 0.811 159 G HN -0.228 8.059 8.290 -0.006 0.000 0.482 160 N N 0.342 119.017 118.700 -0.042 0.000 2.844 160 N HA 0.675 5.575 4.740 0.010 -0.154 0.268 160 N C -2.014 173.488 175.510 -0.013 0.000 1.574 160 N CA -3.730 49.308 53.050 -0.020 0.000 0.838 160 N CB 1.962 40.419 38.487 -0.049 0.000 1.177 160 N HN -0.174 8.166 8.380 -0.067 0.000 0.495 161 P HA 0.191 4.745 4.420 -0.121 -0.207 0.276 161 P C 0.031 177.417 177.300 0.143 0.000 1.235 161 P CA -0.023 63.075 63.100 -0.004 0.000 0.772 161 P CB 0.020 31.763 31.700 0.071 0.000 0.871 162 Y N 0.224 120.594 120.300 0.118 0.000 4.324 162 Y HA -0.511 4.131 4.550 0.154 0.000 0.224 162 Y C -1.020 174.943 175.900 0.104 0.000 1.113 162 Y CA 1.449 59.620 58.100 0.119 0.000 1.887 162 Y CB -2.269 36.239 38.460 0.079 0.000 1.602 162 Y HN 0.254 8.387 8.280 -0.245 0.000 0.654 163 N N -3.289 115.529 118.700 0.196 0.000 2.725 163 N HA -0.350 4.632 4.740 0.171 -0.140 0.249 163 N C 0.278 175.884 175.510 0.161 0.000 1.103 163 N CA 1.107 54.269 53.050 0.186 0.000 0.707 163 N CB -0.809 37.809 38.487 0.219 0.000 1.043 163 N HN -0.413 8.009 8.380 0.142 0.043 0.553 164 L N -2.068 119.246 121.223 0.151 0.000 2.478 164 L HA -0.106 4.298 4.340 0.106 0.000 0.223 164 L C 0.881 177.807 176.870 0.092 0.000 1.140 164 L CA 1.039 55.949 54.840 0.116 0.000 0.842 164 L CB 0.319 42.448 42.059 0.116 0.000 0.953 164 L HN -0.565 7.744 8.230 0.164 0.020 0.452 165 G N -3.066 105.791 108.800 0.095 0.000 2.555 165 G HA2 -0.287 3.725 3.960 0.086 0.000 0.686 165 G HA3 -0.287 3.715 3.960 0.070 0.000 0.686 165 G C -2.210 172.725 174.900 0.058 0.000 1.275 165 G CA -0.940 44.206 45.100 0.077 0.000 0.871 165 G HN -0.509 8.084 8.290 0.105 -0.240 0.603 166 Q N 1.514 121.341 119.800 0.045 0.000 2.283 166 Q HA -0.067 4.499 4.340 0.022 -0.212 0.301 166 Q C -0.205 175.815 176.000 0.034 0.000 1.063 166 Q CA 1.409 57.230 55.803 0.031 0.000 0.952 166 Q CB 0.614 29.368 28.738 0.026 0.000 1.166 166 Q HN 0.344 8.642 8.270 0.048 0.000 0.381 167 T N 8.698 123.269 114.554 0.029 0.000 2.886 167 T HA 0.244 4.615 4.350 0.035 0.000 0.292 167 T C -1.881 172.833 174.700 0.023 0.000 1.012 167 T CA -0.833 61.287 62.100 0.033 0.000 0.982 167 T CB 2.086 70.981 68.868 0.044 0.000 1.018 167 T HN 0.512 8.765 8.240 0.021 0.000 0.451 168 I N 4.658 125.243 120.570 0.025 0.000 2.354 168 I HA 0.725 5.097 4.170 0.011 -0.196 0.292 168 I C 0.147 176.276 176.117 0.019 0.000 0.989 168 I CA -2.579 58.733 61.300 0.019 0.000 1.188 168 I CB 0.423 38.440 38.000 0.028 0.000 1.342 168 I HN 0.328 8.556 8.210 0.030 0.000 0.457 169 T N 4.549 119.107 114.554 0.005 0.000 2.908 169 T HA 0.363 4.721 4.350 0.012 0.000 0.290 169 T C -1.870 172.816 174.700 -0.023 0.000 1.034 169 T CA -2.055 60.046 62.100 0.001 0.000 1.010 169 T CB 2.490 71.359 68.868 0.002 0.000 1.068 169 T HN 0.160 8.398 8.240 -0.003 0.000 0.481 170 Q N 4.752 124.536 119.800 -0.025 0.000 2.353 170 Q HA 0.785 5.233 4.340 -0.106 -0.171 0.268 170 Q C -1.098 174.864 176.000 -0.064 0.000 1.045 170 Q CA -1.142 54.620 55.803 -0.069 0.000 0.811 170 Q CB 3.509 32.216 28.738 -0.051 0.000 1.305 170 Q HN 0.050 8.314 8.270 -0.009 0.000 0.447 171 G N 4.244 112.988 108.800 -0.094 0.000 2.772 171 G HA2 0.717 4.644 3.960 -0.054 0.000 0.284 171 G HA3 0.717 4.812 3.960 -0.063 -0.173 0.284 171 G C -2.607 172.243 174.900 -0.082 0.000 1.217 171 G CA 0.222 45.279 45.100 -0.071 0.000 0.831 171 G HN 0.456 8.670 8.290 -0.126 0.000 0.523 172 I N -5.871 114.664 120.570 -0.059 0.000 3.174 172 I HA 0.933 5.247 4.170 -0.058 -0.179 0.313 172 I C -0.943 175.154 176.117 -0.034 0.000 1.155 172 I CA -2.618 58.654 61.300 -0.046 0.000 0.977 172 I CB 4.543 42.528 38.000 -0.024 0.000 1.248 172 I HN 0.612 9.134 8.210 -0.052 -0.343 0.453 173 I N 1.792 122.354 120.570 -0.013 0.000 2.421 173 I HA -0.019 4.264 4.170 -0.005 -0.116 0.291 173 I C 0.473 176.596 176.117 0.010 0.000 1.089 173 I CA 0.847 62.149 61.300 0.004 0.000 1.354 173 I CB -0.922 37.094 38.000 0.028 0.000 1.413 173 I HN 0.012 8.217 8.210 -0.008 0.000 0.513 174 S N 9.546 125.244 115.700 -0.004 0.000 2.446 174 S HA -0.066 4.406 4.470 0.002 0.000 0.225 174 S C -0.764 173.854 174.600 0.029 0.000 1.016 174 S CA 1.559 59.759 58.200 0.000 0.000 0.943 174 S CB 0.528 63.709 63.200 -0.031 0.000 0.786 174 S HN 0.621 8.813 8.310 -0.018 0.107 0.508 175 A N -2.267 120.581 122.820 0.047 0.000 2.608 175 A HA 0.346 4.707 4.320 0.068 0.000 0.292 175 A C -2.485 175.154 177.584 0.092 0.000 1.066 175 A CA 0.232 52.314 52.037 0.074 0.000 0.676 175 A CB 2.108 21.164 19.000 0.094 0.000 1.277 175 A HN -0.848 7.328 8.150 0.043 0.000 0.413 176 T N -2.844 111.764 114.554 0.089 0.000 3.331 176 T HA 0.096 4.504 4.350 0.095 0.000 0.282 176 T C -0.244 174.505 174.700 0.083 0.000 1.010 176 T CA -1.215 60.937 62.100 0.085 0.000 0.928 176 T CB 0.327 69.233 68.868 0.064 0.000 1.154 176 T HN 0.312 8.601 8.240 0.083 0.000 0.516 177 G N 0.688 109.553 108.800 0.108 0.000 2.355 177 G HA2 -0.179 3.954 3.960 0.113 0.000 0.619 177 G HA3 -0.179 3.853 3.960 0.059 -0.037 0.619 177 G C -2.272 172.677 174.900 0.082 0.000 1.337 177 G CA -0.466 44.688 45.100 0.091 0.000 0.993 177 G HN -0.573 7.795 8.290 0.130 0.000 0.599 178 R N -0.595 119.942 120.500 0.062 0.000 2.673 178 R HA 0.344 4.717 4.340 0.056 0.000 0.281 178 R C 0.007 176.324 176.300 0.029 0.000 0.991 178 R CA -2.173 53.959 56.100 0.053 0.000 0.896 178 R CB 2.700 33.039 30.300 0.064 0.000 1.201 178 R HN -0.048 8.144 8.270 0.050 0.108 0.457 179 I N 0.005 120.591 120.570 0.025 0.000 2.296 179 I HA -0.127 4.049 4.170 0.009 0.000 0.242 179 I C 1.125 177.248 176.117 0.010 0.000 1.087 179 I CA 0.569 61.877 61.300 0.014 0.000 1.393 179 I CB -0.294 37.715 38.000 0.015 0.000 1.093 179 I HN 0.134 8.362 8.210 0.030 0.000 0.421 180 G N -1.429 107.380 108.800 0.015 0.000 2.502 180 G HA2 0.130 4.094 3.960 0.007 0.000 0.305 180 G HA3 0.130 4.098 3.960 0.013 0.000 0.305 180 G C -1.285 173.621 174.900 0.010 0.000 1.190 180 G CA -0.798 44.308 45.100 0.011 0.000 0.933 180 G HN -0.526 7.776 8.290 0.020 0.000 0.503 181 L N -1.027 120.199 121.223 0.005 0.000 2.485 181 L HA -0.113 4.225 4.340 -0.003 0.000 0.275 181 L C -0.101 176.773 176.870 0.008 0.000 1.207 181 L CA 0.737 55.578 54.840 0.002 0.000 0.855 181 L CB -0.320 41.737 42.059 -0.002 0.000 1.114 181 L HN 0.074 8.307 8.230 0.004 0.000 0.485 182 N N 2.625 121.327 118.700 0.003 0.000 2.934 182 N HA 0.337 5.086 4.740 0.016 0.000 0.253 182 N C -1.833 173.668 175.510 -0.014 0.000 1.466 182 N CA -1.275 51.780 53.050 0.009 0.000 0.858 182 N CB 0.236 38.738 38.487 0.026 0.000 1.459 182 N HN -0.314 8.063 8.380 -0.004 0.000 0.532 183 P HA -0.126 4.268 4.420 -0.043 0.000 0.219 183 P C -0.079 177.140 177.300 -0.136 0.000 1.146 183 P CA 1.879 64.946 63.100 -0.055 0.000 0.808 183 P CB 0.097 31.782 31.700 -0.024 0.000 0.779 184 T N -5.661 108.795 114.554 -0.163 0.000 2.867 184 T HA -0.218 3.915 4.350 -0.362 0.000 0.268 184 T C 1.701 176.334 174.700 -0.111 0.000 1.057 184 T CA 0.661 62.613 62.100 -0.248 0.000 1.136 184 T CB 0.494 69.174 68.868 -0.313 0.000 0.874 184 T HN -0.492 7.839 8.240 -0.119 -0.162 0.466 185 G N 1.608 110.371 108.800 -0.062 0.000 2.176 185 G HA2 -0.395 3.543 3.960 -0.037 0.000 0.253 185 G HA3 -0.395 3.539 3.960 -0.044 0.000 0.253 185 G C -0.990 173.889 174.900 -0.036 0.000 0.979 185 G CA -0.364 44.711 45.100 -0.041 0.000 0.641 185 G HN -0.259 7.998 8.290 -0.055 0.000 0.530 186 R N -1.977 118.513 120.500 -0.017 0.000 2.854 186 R HA 0.335 4.623 4.340 -0.087 0.000 0.271 186 R C -1.303 174.981 176.300 -0.027 0.000 0.994 186 R CA -2.120 53.944 56.100 -0.059 0.000 0.945 186 R CB 2.112 32.312 30.300 -0.166 0.000 1.194 186 R HN -0.669 7.553 8.270 0.004 0.051 0.476 187 Q N -1.424 118.336 119.800 -0.067 0.000 2.281 187 Q HA 0.121 4.533 4.340 0.001 -0.072 0.215 187 Q C 0.141 176.121 176.000 -0.032 0.000 0.867 187 Q CA 0.743 56.527 55.803 -0.031 0.000 0.940 187 Q CB 0.971 29.686 28.738 -0.038 0.000 1.111 187 Q HN 0.513 8.718 8.270 -0.108 0.000 0.513 188 N N -2.895 115.747 118.700 -0.097 0.000 2.170 188 N HA 0.011 4.727 4.740 -0.040 0.000 0.222 188 N C -1.208 174.273 175.510 -0.049 0.000 1.218 188 N CA -1.033 51.962 53.050 -0.092 0.000 0.889 188 N CB -0.566 37.831 38.487 -0.150 0.000 1.083 188 N HN -0.124 8.154 8.380 -0.169 0.000 0.520 189 F N -0.216 119.744 119.950 0.016 0.000 2.506 189 F HA -0.226 4.335 4.527 0.057 0.000 0.351 189 F C 0.299 176.166 175.800 0.113 0.000 1.136 189 F CA 0.832 58.875 58.000 0.071 0.000 1.298 189 F CB 0.995 40.056 39.000 0.101 0.000 1.145 189 F HN -0.787 7.569 8.300 0.093 0.000 0.593 190 L N 2.673 124.136 121.223 0.401 0.000 2.265 190 L HA 0.120 4.720 4.340 0.196 -0.142 0.288 190 L C -1.141 175.859 176.870 0.217 0.000 1.058 190 L CA -0.959 54.027 54.840 0.243 0.000 0.809 190 L CB 0.767 42.928 42.059 0.170 0.000 1.179 190 L HN 0.379 8.879 8.230 0.449 0.000 0.429 191 Q N 5.886 125.767 119.800 0.134 0.000 2.230 191 Q HA 0.794 5.225 4.340 -0.220 -0.222 0.253 191 Q C -0.819 175.123 176.000 -0.097 0.000 0.919 191 Q CA -1.209 54.555 55.803 -0.065 0.000 0.908 191 Q CB 2.884 31.602 28.738 -0.033 0.000 1.245 191 Q HN -0.005 8.351 8.270 0.142 0.000 0.437 192 T N 4.281 118.720 114.554 -0.191 0.000 2.894 192 T HA 0.597 5.038 4.350 -0.088 -0.143 0.309 192 T C -1.728 172.884 174.700 -0.147 0.000 1.208 192 T CA -2.426 59.600 62.100 -0.123 0.000 1.016 192 T CB 1.521 70.340 68.868 -0.082 0.000 1.192 192 T HN 0.463 8.517 8.240 -0.310 0.000 0.491 193 D N 4.656 124.997 120.400 -0.098 0.000 2.368 193 D HA 0.175 4.810 4.640 -0.103 -0.058 0.218 193 D C -0.050 176.210 176.300 -0.065 0.000 1.112 193 D CA -1.702 52.247 54.000 -0.085 0.000 0.834 193 D CB -0.293 40.470 40.800 -0.062 0.000 0.953 193 D HN -0.042 8.281 8.370 -0.079 0.000 0.505 194 A N 1.238 124.017 122.820 -0.067 0.000 2.491 194 A HA -0.152 4.289 4.320 -0.046 -0.148 0.261 194 A C -0.487 177.071 177.584 -0.044 0.000 1.101 194 A CA 0.737 52.742 52.037 -0.053 0.000 0.772 194 A CB 0.320 19.286 19.000 -0.057 0.000 1.043 194 A HN -0.790 7.261 8.150 -0.074 0.054 0.501 195 S N 2.340 118.025 115.700 -0.025 0.000 2.629 195 S HA -0.149 4.311 4.470 -0.016 0.000 0.302 195 S C -0.876 173.721 174.600 -0.004 0.000 1.244 195 S CA 0.943 59.138 58.200 -0.010 0.000 1.098 195 S CB -0.071 63.135 63.200 0.010 0.000 0.858 195 S HN 0.167 8.465 8.310 -0.020 0.000 0.502 196 I N 7.063 127.628 120.570 -0.008 0.000 2.433 196 I HA 0.070 4.363 4.170 -0.010 -0.128 0.292 196 I C -1.523 174.600 176.117 0.010 0.000 1.001 196 I CA -1.755 59.540 61.300 -0.009 0.000 1.119 196 I CB 1.127 39.110 38.000 -0.027 0.000 1.289 196 I HN 0.264 8.467 8.210 -0.013 0.000 0.438 197 N N 4.972 123.670 118.700 -0.004 0.000 2.577 197 N HA 0.331 5.087 4.740 0.027 0.000 0.285 197 N C -1.607 173.820 175.510 -0.138 0.000 1.309 197 N CA -1.873 51.166 53.050 -0.018 0.000 0.798 197 N CB 4.336 42.863 38.487 0.067 0.000 1.463 197 N HN -0.033 8.633 8.380 -0.020 -0.298 0.518 198 H N 0.003 118.854 119.070 -0.364 0.000 3.070 198 H HA -0.273 4.155 4.556 -0.214 0.000 0.313 198 H C 0.730 175.819 175.328 -0.398 0.000 0.997 198 H CA 2.485 58.307 56.048 -0.376 0.000 1.438 198 H CB 0.560 30.057 29.762 -0.440 0.000 1.455 198 H HN 0.424 8.576 8.280 -0.213 0.000 0.575 199 G N 5.855 114.320 108.800 -0.558 0.000 2.238 199 G HA2 -0.480 3.456 3.960 -0.341 0.000 0.217 199 G HA3 -0.480 3.485 3.960 -0.223 -0.139 0.217 199 G C -0.843 173.933 174.900 -0.207 0.000 0.996 199 G CA 0.007 44.915 45.100 -0.319 0.000 0.632 199 G HN 0.555 8.399 8.290 -0.743 0.000 0.503 203 G N 1.288 110.071 108.800 -0.029 0.000 2.563 203 G HA2 0.347 4.292 3.960 -0.025 0.000 0.283 203 G HA3 0.347 4.422 3.960 -0.030 -0.133 0.283 203 G C -2.236 172.660 174.900 -0.007 0.000 1.309 203 G CA -0.835 44.251 45.100 -0.023 0.000 1.022 203 G HN -0.482 7.786 8.290 -0.036 0.000 0.501 204 A N -2.336 120.479 122.820 -0.008 0.000 2.312 204 A HA 0.560 4.884 4.320 0.006 0.000 0.328 204 A C -2.188 175.391 177.584 -0.008 0.000 1.158 204 A CA -1.674 50.361 52.037 -0.003 0.000 0.821 204 A CB 2.917 21.911 19.000 -0.010 0.000 1.170 204 A HN -0.177 7.966 8.150 -0.013 0.000 0.490 205 L N 3.583 124.805 121.223 -0.002 0.000 2.305 205 L HA 0.984 5.525 4.340 -0.023 -0.215 0.284 205 L C -1.638 175.214 176.870 -0.031 0.000 1.013 205 L CA -1.282 53.550 54.840 -0.013 0.000 0.819 205 L CB 3.350 45.412 42.059 0.005 0.000 1.227 205 L HN 0.101 8.337 8.230 0.010 0.000 0.417 206 V N 0.957 120.840 119.914 -0.051 0.000 3.074 206 V HA 0.995 5.218 4.120 -0.085 -0.154 0.314 206 V C -1.534 174.512 176.094 -0.080 0.000 1.117 206 V CA -3.840 58.417 62.300 -0.071 0.000 1.014 206 V CB 3.806 35.591 31.823 -0.064 0.000 1.057 206 V HN 0.545 8.704 8.190 -0.052 0.000 0.438 207 N N 0.264 118.913 118.700 -0.084 0.000 2.514 207 N HA 0.496 5.346 4.740 -0.094 -0.166 0.299 207 N C 1.983 177.453 175.510 -0.067 0.000 1.292 207 N CA -1.516 51.486 53.050 -0.079 0.000 0.963 207 N CB 0.837 39.288 38.487 -0.059 0.000 1.124 207 N HN -0.207 8.118 8.380 -0.093 0.000 0.580 208 S N -0.971 114.703 115.700 -0.043 0.000 2.474 208 S HA -0.170 4.318 4.470 0.029 0.000 0.235 208 S C 0.729 175.365 174.600 0.061 0.000 0.997 208 S CA 2.462 60.685 58.200 0.038 0.000 0.949 208 S CB -0.675 62.598 63.200 0.121 0.000 0.766 208 S HN 0.336 8.624 8.310 -0.038 0.000 0.517 209 L N -2.839 118.394 121.223 0.016 0.000 2.567 209 L HA 0.217 4.571 4.340 0.024 0.000 0.225 209 L C 0.696 177.560 176.870 -0.010 0.000 1.119 209 L CA -0.108 54.737 54.840 0.008 0.000 0.871 209 L CB 0.123 42.178 42.059 -0.006 0.000 1.036 209 L HN -0.582 7.858 8.230 -0.005 -0.213 0.459 210 G N -2.465 106.321 108.800 -0.022 0.000 2.175 210 G HA2 -0.456 3.487 3.960 -0.029 0.000 0.244 210 G HA3 -0.456 3.491 3.960 -0.022 0.000 0.244 210 G C -0.499 174.361 174.900 -0.067 0.000 0.982 210 G CA -0.139 44.941 45.100 -0.033 0.000 0.641 210 G HN -0.371 7.816 8.290 -0.024 0.089 0.527 211 E N -0.178 119.965 120.200 -0.096 0.000 2.338 211 E HA -0.149 4.244 4.350 -0.157 -0.137 0.272 211 E C -0.748 175.721 176.600 -0.217 0.000 1.029 211 E CA -0.625 55.676 56.400 -0.166 0.000 0.872 211 E CB 0.875 30.460 29.700 -0.192 0.000 1.015 211 E HN -0.705 7.772 8.360 -0.084 -0.168 0.417 212 L N 4.747 125.801 121.223 -0.281 0.000 2.477 212 L HA -0.172 4.190 4.340 -0.153 -0.114 0.272 212 L C -0.802 175.828 176.870 -0.401 0.000 1.157 212 L CA 1.152 55.839 54.840 -0.256 0.000 0.889 212 L CB 0.153 42.104 42.059 -0.180 0.000 1.158 212 L HN -0.048 8.011 8.230 -0.286 0.000 0.473 213 M N 4.444 123.958 119.600 -0.143 0.000 2.556 213 M HA 0.147 4.626 4.480 -0.002 0.000 0.264 213 M C 0.110 176.537 176.300 0.213 0.000 1.163 213 M CA 0.325 55.635 55.300 0.017 0.000 1.186 213 M CB 1.694 34.301 32.600 0.013 0.000 1.321 213 M HN 0.616 8.853 8.290 -0.088 0.000 0.485 214 G N -4.668 104.211 108.800 0.130 0.000 2.550 214 G HA2 0.350 4.523 3.960 0.194 0.000 0.293 214 G HA3 0.350 4.397 3.960 0.145 0.000 0.293 214 G C -2.971 171.988 174.900 0.098 0.000 1.402 214 G CA 0.282 45.471 45.100 0.149 0.000 0.784 214 G HN -0.579 7.753 8.290 0.070 0.000 0.482 215 I N -1.011 119.619 120.570 0.100 0.000 2.330 215 I HA 0.572 4.942 4.170 0.052 -0.169 0.289 215 I C -0.569 175.598 176.117 0.082 0.000 1.001 215 I CA -3.676 57.667 61.300 0.071 0.000 1.193 215 I CB -0.013 38.023 38.000 0.059 0.000 1.345 215 I HN 0.099 8.378 8.210 0.115 0.000 0.461 216 N N 8.547 127.278 118.700 0.051 0.000 2.454 216 N HA -0.030 4.884 4.740 0.065 -0.135 0.260 216 N C 0.032 175.573 175.510 0.051 0.000 1.218 216 N CA 1.490 54.568 53.050 0.046 0.000 0.904 216 N CB 0.521 39.013 38.487 0.009 0.000 1.065 216 N HN 0.060 8.460 8.380 0.033 0.000 0.462 217 T N 4.030 118.629 114.554 0.075 0.000 3.250 217 T HA 0.190 4.579 4.350 0.065 0.000 0.265 217 T C -0.789 173.950 174.700 0.065 0.000 0.973 217 T CA 0.919 63.071 62.100 0.088 0.000 1.040 217 T CB 1.964 70.944 68.868 0.186 0.000 1.167 217 T HN 0.223 8.509 8.240 0.076 0.000 0.471 218 L N 0.470 121.727 121.223 0.056 0.000 2.354 218 L HA 0.348 4.725 4.340 0.062 0.000 0.264 218 L C -2.033 174.907 176.870 0.118 0.000 1.008 218 L CA -0.989 53.895 54.840 0.073 0.000 0.819 218 L CB 3.746 45.807 42.059 0.004 0.000 1.339 218 L HN -0.789 7.476 8.230 0.058 0.000 0.420 219 S N -0.167 115.603 115.700 0.118 0.000 2.500 219 S HA 0.228 4.750 4.470 0.087 0.000 0.301 219 S C -0.969 173.777 174.600 0.244 0.000 1.092 219 S CA -1.683 56.594 58.200 0.127 0.000 1.030 219 S CB 1.718 64.964 63.200 0.076 0.000 1.031 219 S HN 0.129 8.500 8.310 0.103 0.000 0.483 220 F N 7.412 127.423 119.950 0.101 0.000 2.462 220 F HA -0.146 4.466 4.527 0.141 0.000 0.360 220 F C -1.600 174.235 175.800 0.058 0.000 1.134 220 F CA 0.181 58.254 58.000 0.122 0.000 1.148 220 F CB 0.474 39.568 39.000 0.157 0.000 1.147 220 F HN -0.125 8.372 8.300 0.327 0.000 0.550 221 D N 5.603 126.288 120.400 0.474 0.000 2.613 221 D HA 0.215 4.921 4.640 0.110 0.000 0.312 221 D C -1.330 175.091 176.300 0.202 0.000 1.202 221 D CA -0.139 53.987 54.000 0.210 0.000 0.825 221 D CB 0.209 41.097 40.800 0.147 0.000 1.113 221 D HN 0.127 8.806 8.370 0.515 0.000 0.502 229 P HA 0.258 4.544 4.420 -0.223 0.000 0.278 229 P C -2.149 175.077 177.300 -0.124 0.000 1.238 229 P CA -0.447 62.514 63.100 -0.232 0.000 0.794 229 P CB 0.828 32.247 31.700 -0.468 0.000 0.955 230 E N 1.143 121.281 120.200 -0.102 0.000 2.234 230 E HA 0.027 4.347 4.350 -0.049 0.000 0.266 230 E C 0.111 176.674 176.600 -0.062 0.000 0.877 230 E CA -0.344 56.019 56.400 -0.062 0.000 0.758 230 E CB 1.212 30.883 29.700 -0.048 0.000 1.170 230 E HN 0.117 8.409 8.360 -0.112 0.000 0.415 231 G N 3.358 112.125 108.800 -0.055 0.000 2.221 231 G HA2 -0.381 3.542 3.960 -0.063 0.000 0.265 231 G HA3 -0.381 3.544 3.960 -0.058 0.000 0.265 231 G C -1.333 173.506 174.900 -0.102 0.000 1.041 231 G CA 0.404 45.464 45.100 -0.066 0.000 0.807 231 G HN 0.554 8.818 8.290 -0.045 0.000 0.502 232 I N 0.477 120.976 120.570 -0.117 0.000 2.420 232 I HA 0.024 4.038 4.170 -0.260 0.000 0.282 232 I C -1.985 173.929 176.117 -0.338 0.000 1.019 232 I CA -0.584 60.594 61.300 -0.205 0.000 1.130 232 I CB 0.799 38.767 38.000 -0.054 0.000 1.262 232 I HN -0.486 7.671 8.210 -0.087 0.000 0.454 233 G N 4.974 113.435 108.800 -0.564 0.000 2.619 233 G HA2 0.836 4.649 3.960 -0.416 0.000 0.296 233 G HA3 0.836 4.616 3.960 -0.300 0.000 0.296 233 G C -2.570 171.824 174.900 -0.844 0.000 1.334 233 G CA -1.138 43.644 45.100 -0.531 0.000 0.934 233 G HN 0.028 7.984 8.290 -0.555 0.000 0.476 234 F N -1.661 118.189 119.950 -0.167 0.000 2.576 234 F HA 0.998 5.641 4.527 -0.185 -0.227 0.313 234 F C -1.891 173.836 175.800 -0.121 0.000 1.078 234 F CA -2.018 55.816 58.000 -0.277 0.000 0.921 234 F CB 5.042 43.554 39.000 -0.814 0.000 1.232 234 F HN 0.067 8.302 8.300 -0.108 0.000 0.459 235 A N -0.513 122.456 122.820 0.248 0.000 2.515 235 A HA 0.713 5.310 4.320 0.235 -0.135 0.298 235 A C -2.000 175.826 177.584 0.404 0.000 1.059 235 A CA -1.784 50.412 52.037 0.265 0.000 0.698 235 A CB 3.973 23.060 19.000 0.146 0.000 1.289 235 A HN 0.820 9.164 8.150 0.322 0.000 0.404 236 I N 1.413 122.159 120.570 0.293 0.000 2.452 236 I HA 0.242 4.481 4.170 0.116 0.000 0.287 236 I C -1.510 174.670 176.117 0.106 0.000 1.079 236 I CA -3.527 57.864 61.300 0.152 0.000 1.387 236 I CB -0.651 37.390 38.000 0.069 0.000 1.404 236 I HN 0.046 8.404 8.210 0.246 0.000 0.522 237 P HA 0.057 4.681 4.420 0.122 -0.131 0.266 237 P C 1.194 178.502 177.300 0.013 0.000 1.195 237 P CA -0.250 62.879 63.100 0.047 0.000 0.768 237 P CB 0.158 31.831 31.700 -0.045 0.000 0.838 238 F N 1.965 121.909 119.950 -0.011 0.000 2.216 238 F HA -0.353 4.166 4.527 -0.014 0.000 0.300 238 F C 1.282 177.066 175.800 -0.027 0.000 1.085 238 F CA 3.407 61.396 58.000 -0.017 0.000 1.326 238 F CB -0.748 38.242 39.000 -0.016 0.000 1.027 238 F HN -0.237 8.301 8.300 0.397 0.000 0.497 239 Q N -0.390 118.832 119.800 -0.963 0.000 2.084 239 Q HA -0.383 3.551 4.340 -0.676 0.000 0.202 239 Q C 2.048 177.864 176.000 -0.306 0.000 0.978 239 Q CA 3.299 58.679 55.803 -0.705 0.000 0.844 239 Q CB -1.010 27.309 28.738 -0.697 0.000 0.898 239 Q HN 0.076 7.611 8.270 -1.196 0.018 0.426 240 L N -0.891 120.188 121.223 -0.240 0.000 2.056 240 L HA -0.249 4.001 4.340 -0.150 0.000 0.207 240 L C 1.162 177.968 176.870 -0.107 0.000 1.078 240 L CA 2.523 57.271 54.840 -0.154 0.000 0.749 240 L CB -0.568 41.404 42.059 -0.146 0.000 0.901 240 L HN -0.751 7.323 8.230 -0.260 0.000 0.433 241 A N -2.242 120.534 122.820 -0.073 0.000 1.933 241 A HA -0.338 3.959 4.320 -0.037 0.000 0.218 241 A C 1.976 179.544 177.584 -0.027 0.000 1.175 241 A CA 3.129 55.149 52.037 -0.028 0.000 0.628 241 A CB -0.756 18.260 19.000 0.026 0.000 0.814 241 A HN -0.315 7.710 8.150 -0.074 0.080 0.444 242 T N 0.095 114.633 114.554 -0.027 0.000 2.812 242 T HA -0.380 3.965 4.350 -0.008 0.000 0.264 242 T C 1.904 176.571 174.700 -0.055 0.000 1.042 242 T CA 4.968 67.056 62.100 -0.021 0.000 1.140 242 T CB -0.134 68.738 68.868 0.008 0.000 0.870 242 T HN -0.293 7.923 8.240 -0.040 0.000 0.445 243 K N 1.332 121.688 120.400 -0.074 0.000 2.155 243 K HA -0.209 4.067 4.320 -0.073 0.000 0.203 243 K C 2.420 178.974 176.600 -0.076 0.000 1.052 243 K CA 3.346 59.587 56.287 -0.077 0.000 0.948 243 K CB -0.207 32.241 32.500 -0.087 0.000 0.728 243 K HN -0.772 7.427 8.250 -0.086 0.000 0.448 244 I N -0.415 120.110 120.570 -0.074 0.000 2.500 244 I HA -0.301 3.826 4.170 -0.071 0.000 0.252 244 I C 1.578 177.652 176.117 -0.072 0.000 1.142 244 I CA 1.541 62.799 61.300 -0.071 0.000 1.451 244 I CB -0.793 37.166 38.000 -0.069 0.000 1.093 244 I HN -0.366 7.799 8.210 -0.074 0.000 0.430 245 M N 1.576 121.132 119.600 -0.073 0.000 2.077 245 M HA -0.479 3.951 4.480 -0.083 0.000 0.261 245 M C 1.392 177.609 176.300 -0.137 0.000 1.070 245 M CA 4.613 59.858 55.300 -0.093 0.000 1.125 245 M CB -0.161 32.390 32.600 -0.081 0.000 1.339 245 M HN -0.455 7.795 8.290 -0.066 0.000 0.409 246 D N -1.352 118.972 120.400 -0.127 0.000 2.158 246 D HA -0.342 4.187 4.640 -0.185 0.000 0.197 246 D C 2.460 178.688 176.300 -0.120 0.000 0.995 246 D CA 3.658 57.575 54.000 -0.139 0.000 0.846 246 D CB -0.757 39.982 40.800 -0.101 0.000 0.941 246 D HN -0.239 8.068 8.370 -0.104 0.000 0.456 247 K N -0.742 119.601 120.400 -0.094 0.000 2.186 247 K HA -0.114 4.163 4.320 -0.071 0.000 0.202 247 K C 2.223 178.780 176.600 -0.072 0.000 1.052 247 K CA 2.704 58.946 56.287 -0.075 0.000 0.965 247 K CB 0.080 32.541 32.500 -0.064 0.000 0.746 247 K HN -0.803 7.373 8.250 -0.090 0.020 0.457 248 L N -1.793 119.383 121.223 -0.079 0.000 2.240 248 L HA -0.215 4.096 4.340 -0.049 0.000 0.211 248 L C 1.588 178.415 176.870 -0.071 0.000 1.106 248 L CA 2.252 57.054 54.840 -0.063 0.000 0.793 248 L CB 0.136 42.163 42.059 -0.053 0.000 0.927 248 L HN -0.626 7.464 8.230 -0.086 0.088 0.446 249 I N -2.237 118.252 120.570 -0.135 0.000 2.233 249 I HA -0.384 3.707 4.170 -0.132 0.000 0.243 249 I C 1.479 177.537 176.117 -0.098 0.000 1.093 249 I CA 2.655 63.846 61.300 -0.182 0.000 1.380 249 I CB 0.119 37.863 38.000 -0.427 0.000 1.067 249 I HN -0.167 7.947 8.210 -0.159 0.000 0.413 250 R N -0.866 119.579 120.500 -0.093 0.000 2.075 250 R HA -0.177 4.132 4.340 -0.052 0.000 0.232 250 R C 0.295 176.573 176.300 -0.036 0.000 1.126 250 R CA 2.316 58.381 56.100 -0.058 0.000 0.963 250 R CB 0.708 30.973 30.300 -0.059 0.000 0.858 250 R HN -0.508 7.698 8.270 -0.107 0.000 0.435 251 D N 0.000 120.378 120.400 -0.037 0.000 6.856 251 D HA 0.000 4.629 4.640 -0.019 0.000 0.175 251 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 251 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 251 D HN 0.000 8.342 8.370 -0.046 0.000 0.683