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 2kh2_1_B DATA FIRST_RESID 1 DATA SEQUENCE DIQMTQSPSS LSASVGDRVT ITcRTSGNIH NYLTWYQQKP GKAPQLLIYN DATA SEQUENCE AKTLADGVPS RFSGSGSGTQ FTLTISSLQP EDFANYYcQH FWSLPFTFGQ DATA SEQUENCE GTKVEIKRTG GGGSGGGGSG GGGSGGGGSE VQLVESGGGL VQPGGSLRLS DATA SEQUENCE cAASGFDFSR YDMSWVRQAP GKRLEWVAYI SSGGGSTYFP DTVKGRFTIS DATA SEQUENCE RDNAKNTLYL QMNSLRAEDT AVYYcARQNK KLTWFDYWGQ GTLVTVSSHH DATA SEQUENCE HHHH 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 D HA 0.000 4.659 4.640 0.032 0.000 0.175 1 D C 0.000 176.343 176.300 0.072 0.000 2.045 1 D CA 0.000 54.031 54.000 0.051 0.000 0.868 1 D CB 0.000 40.831 40.800 0.051 0.000 0.688 2 I N 2.217 122.830 120.570 0.072 0.000 2.311 2 I HA 0.003 4.246 4.170 0.121 0.000 0.297 2 I C -0.539 175.730 176.117 0.254 0.000 1.131 2 I CA 0.056 61.437 61.300 0.136 0.000 1.289 2 I CB -0.969 37.062 38.000 0.051 0.000 1.446 2 I HN 0.219 8.441 8.210 0.020 0.000 0.524 3 Q N 6.404 126.303 119.800 0.165 0.000 2.318 3 Q HA 0.126 4.550 4.340 0.141 0.000 0.222 3 Q C -0.905 175.152 176.000 0.095 0.000 1.003 3 Q CA 0.101 55.982 55.803 0.130 0.000 0.936 3 Q CB 2.101 30.895 28.738 0.093 0.000 1.204 3 Q HN -0.183 8.164 8.270 0.128 0.000 0.524 4 M N -2.344 117.279 119.600 0.039 0.000 2.602 4 M HA 0.795 5.415 4.480 0.006 -0.137 0.312 4 M C -0.256 176.054 176.300 0.017 0.000 1.181 4 M CA -2.196 53.100 55.300 -0.006 0.000 0.910 4 M CB 3.511 36.053 32.600 -0.096 0.000 1.723 4 M HN 0.231 8.551 8.290 0.051 0.000 0.459 5 T N 2.039 116.602 114.554 0.016 0.000 3.031 5 T HA 0.405 4.979 4.350 0.021 -0.211 0.305 5 T C -1.069 173.645 174.700 0.024 0.000 0.985 5 T CA -0.510 61.604 62.100 0.023 0.000 1.008 5 T CB 2.020 70.908 68.868 0.033 0.000 1.005 5 T HN 0.970 9.124 8.240 0.011 0.093 0.444 6 Q N 6.935 126.743 119.800 0.013 0.000 2.257 6 Q HA 0.771 5.310 4.340 0.063 -0.161 0.262 6 Q C -0.574 175.442 176.000 0.027 0.000 0.997 6 Q CA -1.660 54.160 55.803 0.029 0.000 0.873 6 Q CB 3.450 32.188 28.738 -0.001 0.000 1.312 6 Q HN 0.668 9.286 8.270 0.001 -0.347 0.450 7 S N 0.558 116.285 115.700 0.046 0.000 2.649 7 S HA 0.472 4.951 4.470 0.014 0.000 0.274 7 S C -2.599 172.017 174.600 0.026 0.000 1.176 7 S CA -3.207 55.010 58.200 0.028 0.000 0.988 7 S CB 1.321 64.537 63.200 0.027 0.000 1.071 7 S HN 0.731 9.088 8.310 0.078 0.000 0.478 8 P HA 0.432 4.854 4.420 0.003 0.000 0.332 8 P C -0.021 177.273 177.300 -0.009 0.000 1.298 8 P CA -0.672 62.428 63.100 -0.001 0.000 0.755 8 P CB 2.318 34.014 31.700 -0.006 0.000 1.465 9 S N -1.332 114.359 115.700 -0.015 0.000 2.456 9 S HA 0.332 4.947 4.470 -0.048 -0.174 0.224 9 S C -0.473 174.110 174.600 -0.028 0.000 1.035 9 S CA 2.222 60.405 58.200 -0.029 0.000 0.940 9 S CB 1.267 64.456 63.200 -0.019 0.000 0.799 9 S HN 0.296 8.601 8.310 -0.009 0.000 0.508 10 S N -0.251 115.438 115.700 -0.019 0.000 2.535 10 S HA 0.909 5.607 4.470 -0.035 -0.249 0.272 10 S C -1.489 173.101 174.600 -0.016 0.000 1.149 10 S CA -0.167 58.019 58.200 -0.023 0.000 0.888 10 S CB 3.035 66.227 63.200 -0.015 0.000 1.110 10 S HN -0.591 7.711 8.310 -0.013 0.000 0.463 11 L N -0.318 120.892 121.223 -0.021 0.000 2.518 11 L HA 0.677 5.015 4.340 -0.005 0.000 0.257 11 L C -2.007 174.861 176.870 -0.003 0.000 0.980 11 L CA -0.484 54.349 54.840 -0.013 0.000 0.837 11 L CB 4.168 46.213 42.059 -0.023 0.000 1.410 11 L HN 0.781 8.990 8.230 -0.035 0.000 0.410 12 S N 1.879 117.584 115.700 0.009 0.000 2.478 12 S HA 1.014 5.784 4.470 0.040 -0.276 0.312 12 S C -0.885 173.725 174.600 0.016 0.000 1.094 12 S CA -0.441 57.775 58.200 0.027 0.000 1.081 12 S CB 1.528 64.751 63.200 0.038 0.000 1.007 12 S HN 0.196 8.510 8.310 0.005 0.000 0.475 13 A N 6.028 128.861 122.820 0.021 0.000 2.530 13 A HA 0.434 4.756 4.320 0.002 0.000 0.288 13 A C -2.329 175.266 177.584 0.018 0.000 1.172 13 A CA -1.082 50.960 52.037 0.008 0.000 0.733 13 A CB 3.451 22.445 19.000 -0.009 0.000 1.320 13 A HN 0.823 8.996 8.150 0.038 0.000 0.419 14 S N -1.460 114.244 115.700 0.006 0.000 2.713 14 S HA 0.302 4.782 4.470 0.017 0.000 0.283 14 S C -0.098 174.503 174.600 0.002 0.000 1.161 14 S CA -1.317 56.888 58.200 0.007 0.000 0.999 14 S CB 1.586 64.785 63.200 -0.001 0.000 1.039 14 S HN -0.224 8.347 8.310 -0.004 -0.264 0.548 15 V N 2.171 122.087 119.914 0.004 0.000 2.425 15 V HA -0.258 4.064 4.120 0.002 -0.201 0.276 15 V C 0.946 177.029 176.094 -0.018 0.000 1.017 15 V CA 1.717 64.016 62.300 -0.002 0.000 1.062 15 V CB -1.118 30.705 31.823 0.001 0.000 0.997 15 V HN 0.536 8.730 8.190 0.007 0.000 0.476 16 G N 7.107 115.888 108.800 -0.031 0.000 2.184 16 G HA2 -0.338 3.588 3.960 -0.057 0.000 0.206 16 G HA3 -0.338 3.600 3.960 -0.037 0.000 0.206 16 G C -0.823 174.048 174.900 -0.049 0.000 0.995 16 G CA -0.547 44.527 45.100 -0.044 0.000 0.651 16 G HN 0.581 8.746 8.290 -0.032 0.106 0.511 17 D N 0.534 120.908 120.400 -0.043 0.000 2.344 17 D HA 0.107 4.721 4.640 -0.043 0.000 0.244 17 D C -1.174 175.087 176.300 -0.065 0.000 1.134 17 D CA 0.422 54.394 54.000 -0.046 0.000 0.930 17 D CB 1.785 42.564 40.800 -0.035 0.000 1.175 17 D HN -0.380 7.913 8.370 -0.035 0.056 0.437 18 R N 2.077 122.537 120.500 -0.066 0.000 2.565 18 R HA 0.424 4.961 4.340 -0.098 -0.256 0.286 18 R C 0.182 176.428 176.300 -0.089 0.000 1.256 18 R CA -0.692 55.358 56.100 -0.083 0.000 1.238 18 R CB -0.023 30.232 30.300 -0.074 0.000 1.153 18 R HN 0.276 8.512 8.270 -0.056 0.000 0.553 19 V N 7.165 127.015 119.914 -0.106 0.000 2.637 19 V HA -0.099 3.964 4.120 -0.096 0.000 0.296 19 V C -1.319 174.685 176.094 -0.150 0.000 1.046 19 V CA 0.888 63.115 62.300 -0.121 0.000 1.066 19 V CB 0.869 32.609 31.823 -0.139 0.000 0.968 19 V HN -0.364 7.759 8.190 -0.112 0.000 0.483 20 T N 7.229 121.703 114.554 -0.134 0.000 2.841 20 T HA 0.850 5.313 4.350 -0.179 -0.220 0.285 20 T C -0.773 173.847 174.700 -0.133 0.000 0.991 20 T CA -1.244 60.772 62.100 -0.140 0.000 0.966 20 T CB 1.873 70.686 68.868 -0.093 0.000 0.962 20 T HN -0.024 8.151 8.240 -0.109 0.000 0.438 21 I N 7.720 128.185 120.570 -0.175 0.000 2.389 21 I HA 0.174 4.315 4.170 -0.048 0.000 0.288 21 I C -1.245 174.897 176.117 0.041 0.000 0.999 21 I CA -0.986 60.257 61.300 -0.095 0.000 1.129 21 I CB 2.517 40.410 38.000 -0.178 0.000 1.288 21 I HN 1.054 9.006 8.210 -0.247 0.109 0.444 22 T N 9.766 124.382 114.554 0.104 0.000 2.806 22 T HA 0.447 5.037 4.350 0.186 -0.129 0.290 22 T C -1.448 173.395 174.700 0.239 0.000 0.966 22 T CA 0.413 62.610 62.100 0.161 0.000 1.060 22 T CB 0.761 69.678 68.868 0.082 0.000 0.927 22 T HN 0.772 9.051 8.240 0.064 0.000 0.485 23 c N 6.805 125.585 118.600 0.299 0.000 2.431 23 c HA 0.553 5.346 4.570 0.132 -0.144 0.321 23 c C -2.562 171.634 174.090 0.177 0.000 1.202 23 c CA -2.460 53.990 56.329 0.202 0.000 1.398 23 c CB 2.612 45.178 42.510 0.093 0.000 2.047 23 c HN 1.034 9.465 8.230 0.335 0.000 0.465 24 R N 7.490 128.053 120.500 0.105 0.000 2.740 24 R HA 0.848 5.415 4.340 0.151 -0.136 0.282 24 R C -1.798 174.553 176.300 0.085 0.000 0.969 24 R CA -1.764 54.400 56.100 0.106 0.000 0.918 24 R CB 4.799 35.141 30.300 0.069 0.000 1.175 24 R HN 1.097 9.294 8.270 0.070 0.115 0.464 25 T N 1.565 116.187 114.554 0.112 0.000 2.932 25 T HA 0.515 5.043 4.350 0.089 -0.125 0.289 25 T C -0.069 174.690 174.700 0.099 0.000 1.039 25 T CA -2.359 59.809 62.100 0.114 0.000 1.024 25 T CB 1.802 70.768 68.868 0.164 0.000 1.090 25 T HN -0.215 8.102 8.240 0.129 0.000 0.496 26 S N 4.619 120.385 115.700 0.110 0.000 2.562 26 S HA 0.046 4.557 4.470 0.069 0.000 0.221 26 S C -0.124 174.525 174.600 0.082 0.000 0.975 26 S CA 0.313 58.566 58.200 0.088 0.000 0.918 26 S CB 0.972 64.227 63.200 0.093 0.000 0.772 26 S HN 0.299 8.693 8.310 0.139 0.000 0.531 27 G N 0.486 109.340 108.800 0.091 0.000 2.638 27 G HA2 0.191 4.176 3.960 0.042 0.000 0.302 27 G HA3 0.191 4.207 3.960 0.095 0.000 0.302 27 G C -2.402 172.492 174.900 -0.010 0.000 1.365 27 G CA -0.830 44.304 45.100 0.055 0.000 0.987 27 G HN -0.369 7.918 8.290 0.118 0.073 0.495 28 N N 4.902 123.555 118.700 -0.079 0.000 2.498 28 N HA -0.064 4.650 4.740 -0.043 0.000 0.277 28 N C 0.240 175.589 175.510 -0.267 0.000 1.208 28 N CA 0.077 53.059 53.050 -0.114 0.000 1.029 28 N CB -0.960 37.466 38.487 -0.102 0.000 1.403 28 N HN 0.466 8.806 8.380 -0.067 0.000 0.500 29 I N -0.883 119.574 120.570 -0.188 0.000 2.676 29 I HA -0.173 3.524 4.170 -0.790 0.000 0.259 29 I C 0.895 176.915 176.117 -0.162 0.000 1.194 29 I CA 0.777 61.898 61.300 -0.300 0.000 1.473 29 I CB 0.212 38.179 38.000 -0.054 0.000 1.096 29 I HN 0.025 8.197 8.210 -0.030 0.020 0.443 30 H N -1.224 117.749 119.070 -0.162 0.000 4.836 30 H HA -0.480 4.046 4.556 -0.157 -0.064 0.067 30 H C -1.730 173.541 175.328 -0.095 0.000 0.594 30 H CA 3.566 59.509 56.048 -0.175 0.000 0.978 30 H CB -0.397 29.215 29.762 -0.251 0.000 0.436 30 H HN 0.310 8.568 8.280 0.025 0.038 0.790 31 N N -2.506 116.000 118.700 -0.323 0.000 2.581 31 N HA 0.083 4.852 4.740 0.048 0.000 0.274 31 N C -2.307 172.823 175.510 -0.634 0.000 1.629 31 N CA -0.173 52.666 53.050 -0.352 0.000 0.884 31 N CB 1.050 39.292 38.487 -0.409 0.000 1.423 31 N HN -0.118 7.894 8.380 -0.481 0.080 0.507 32 Y N -0.762 119.364 120.300 -0.291 0.000 2.473 32 Y HA 0.126 4.136 4.550 -0.900 0.000 0.345 32 Y C -2.233 173.177 175.900 -0.816 0.000 0.932 32 Y CA -1.516 56.078 58.100 -0.845 0.000 1.124 32 Y CB 0.169 38.060 38.460 -0.947 0.000 1.162 32 Y HN -0.052 8.078 8.280 -0.250 0.000 0.629 33 L N 1.612 122.558 121.223 -0.461 0.000 2.334 33 L HA 1.083 5.334 4.340 -0.474 -0.195 0.276 33 L C -1.207 175.618 176.870 -0.076 0.000 1.014 33 L CA -1.407 53.107 54.840 -0.543 0.000 0.815 33 L CB 4.123 45.337 42.059 -1.408 0.000 1.268 33 L HN -0.163 7.868 8.230 -0.331 0.000 0.428 34 T N 4.423 118.890 114.554 -0.146 0.000 2.887 34 T HA 0.460 4.937 4.350 0.038 -0.105 0.288 34 T C -1.548 172.951 174.700 -0.337 0.000 1.021 34 T CA -0.685 61.376 62.100 -0.066 0.000 1.000 34 T CB 2.006 70.963 68.868 0.148 0.000 1.034 34 T HN 0.659 8.623 8.240 -0.289 0.102 0.467 35 W N 1.618 122.836 121.300 -0.137 0.000 2.683 35 W HA 0.226 4.948 4.660 0.103 0.000 0.329 35 W C -1.635 174.762 176.519 -0.203 0.000 1.037 35 W CA -0.917 56.398 57.345 -0.050 0.000 1.232 35 W CB 3.253 32.695 29.460 -0.030 0.000 1.390 35 W HN 1.023 9.075 8.180 -0.042 0.103 0.465 36 Y N 1.279 121.792 120.300 0.355 0.000 2.570 36 Y HA 0.580 5.343 4.550 0.125 -0.139 0.345 36 Y C -1.788 174.120 175.900 0.013 0.000 1.014 36 Y CA -1.570 56.628 58.100 0.163 0.000 1.063 36 Y CB 4.882 43.424 38.460 0.138 0.000 1.272 36 Y HN -0.097 8.554 8.280 0.618 0.000 0.477 37 Q N 0.303 120.083 119.800 -0.033 0.000 2.309 37 Q HA 0.460 4.454 4.340 -0.576 0.000 0.270 37 Q C -2.064 173.751 176.000 -0.308 0.000 1.023 37 Q CA -1.530 54.062 55.803 -0.351 0.000 0.758 37 Q CB 3.876 32.363 28.738 -0.418 0.000 1.247 37 Q HN 0.739 9.021 8.270 0.020 0.000 0.455 38 Q N 8.655 128.248 119.800 -0.346 0.000 2.347 38 Q HA 0.289 4.438 4.340 -0.318 0.000 0.262 38 Q C -1.456 174.415 176.000 -0.215 0.000 0.980 38 Q CA -1.649 53.969 55.803 -0.309 0.000 0.867 38 Q CB 2.380 30.897 28.738 -0.369 0.000 1.242 38 Q HN 0.029 8.065 8.270 -0.390 0.000 0.453 39 K N 7.765 128.075 120.400 -0.151 0.000 2.218 39 K HA 0.385 4.680 4.320 -0.040 0.000 0.276 39 K C -1.897 174.686 176.600 -0.029 0.000 1.022 39 K CA -2.270 53.981 56.287 -0.061 0.000 0.946 39 K CB -0.454 32.028 32.500 -0.030 0.000 1.000 39 K HN 0.131 8.283 8.250 -0.162 0.000 0.468 40 P HA -0.170 4.269 4.420 0.033 0.000 0.258 40 P C 0.243 177.556 177.300 0.021 0.000 1.214 40 P CA 1.239 64.367 63.100 0.046 0.000 0.872 40 P CB -1.149 30.614 31.700 0.106 0.000 0.890 41 G N 3.169 111.974 108.800 0.008 0.000 2.141 41 G HA2 -0.370 3.597 3.960 0.012 0.000 0.242 41 G HA3 -0.370 3.597 3.960 0.011 0.000 0.242 41 G C -0.970 173.933 174.900 0.005 0.000 0.982 41 G CA -0.155 44.950 45.100 0.009 0.000 0.662 41 G HN 0.219 8.509 8.290 0.001 0.000 0.527 42 K N -0.197 120.196 120.400 -0.011 0.000 2.378 42 K HA 0.261 4.579 4.320 -0.003 0.000 0.244 42 K C -1.542 175.026 176.600 -0.052 0.000 1.039 42 K CA -1.742 54.533 56.287 -0.021 0.000 0.863 42 K CB 2.945 35.429 32.500 -0.026 0.000 1.326 42 K HN -0.049 8.047 8.250 -0.024 0.140 0.460 43 A N 1.479 124.260 122.820 -0.065 0.000 2.340 43 A HA 0.229 4.490 4.320 -0.098 0.000 0.268 43 A C -1.893 175.551 177.584 -0.235 0.000 1.100 43 A CA -1.565 50.400 52.037 -0.121 0.000 0.803 43 A CB -0.676 18.263 19.000 -0.102 0.000 1.043 43 A HN 0.222 8.343 8.150 -0.049 0.000 0.488 44 P HA 0.074 4.434 4.420 -0.407 -0.184 0.272 44 P C -1.531 175.598 177.300 -0.286 0.000 1.223 44 P CA -0.392 62.380 63.100 -0.547 0.000 0.784 44 P CB 0.788 31.776 31.700 -1.187 0.000 0.923 45 Q N -1.242 118.494 119.800 -0.108 0.000 2.394 45 Q HA 0.361 4.798 4.340 0.162 0.000 0.273 45 Q C -1.291 174.808 176.000 0.164 0.000 1.089 45 Q CA -1.125 54.719 55.803 0.068 0.000 0.812 45 Q CB 4.533 33.268 28.738 -0.004 0.000 1.353 45 Q HN 0.578 8.643 8.270 -0.149 0.115 0.438 46 L N 5.041 126.376 121.223 0.187 0.000 2.283 46 L HA 0.093 4.220 4.340 -0.355 0.000 0.287 46 L C -0.865 175.957 176.870 -0.081 0.000 1.073 46 L CA 0.316 55.119 54.840 -0.062 0.000 0.822 46 L CB 0.109 42.142 42.059 -0.043 0.000 1.186 46 L HN 0.623 8.989 8.230 0.226 0.000 0.436 47 L N 6.427 127.570 121.223 -0.134 0.000 2.200 47 L HA 0.197 4.483 4.340 -0.091 0.000 0.200 47 L C -0.403 176.429 176.870 -0.065 0.000 1.072 47 L CA 1.709 56.478 54.840 -0.118 0.000 0.787 47 L CB 1.125 43.032 42.059 -0.254 0.000 0.957 47 L HN 0.290 8.410 8.230 -0.183 0.000 0.459 48 I N -6.180 114.364 120.570 -0.043 0.000 2.582 48 I HA 0.493 4.690 4.170 -0.183 -0.137 0.292 48 I C -1.681 174.415 176.117 -0.033 0.000 1.066 48 I CA -3.049 58.222 61.300 -0.048 0.000 1.053 48 I CB 2.328 40.376 38.000 0.080 0.000 1.241 48 I HN -0.638 7.545 8.210 -0.044 0.000 0.421 49 Y N 3.271 123.476 120.300 -0.158 0.000 2.609 49 Y HA 0.445 4.914 4.550 -0.134 0.000 0.342 49 Y C -1.297 174.582 175.900 -0.035 0.000 1.058 49 Y CA -2.894 55.060 58.100 -0.243 0.000 1.055 49 Y CB 2.270 40.272 38.460 -0.764 0.000 1.292 49 Y HN 0.730 8.490 8.280 -0.689 0.107 0.476 50 N N 0.397 119.356 118.700 0.432 0.000 2.735 50 N HA -0.543 4.831 4.740 1.056 0.000 0.248 50 N C -0.245 175.421 175.510 0.260 0.000 1.083 50 N CA 1.495 54.896 53.050 0.585 0.000 0.703 50 N CB -0.617 38.193 38.487 0.539 0.000 1.005 50 N HN 0.691 9.419 8.380 0.581 0.000 0.550 51 A N -4.891 118.046 122.820 0.195 0.000 1.693 51 A HA -0.593 3.836 4.320 0.086 -0.057 0.227 51 A C -1.828 175.852 177.584 0.159 0.000 0.457 51 A CA 3.144 55.271 52.037 0.150 0.000 1.106 51 A CB -1.133 17.994 19.000 0.213 0.000 1.453 51 A HN 0.678 8.959 8.150 0.253 0.021 0.714 52 K N -3.268 117.167 120.400 0.058 0.000 2.706 52 K HA 0.251 4.580 4.320 0.015 0.000 0.203 52 K C -1.351 175.176 176.600 -0.121 0.000 1.102 52 K CA -0.961 55.322 56.287 -0.006 0.000 1.058 52 K CB 1.376 33.881 32.500 0.008 0.000 0.779 52 K HN 0.010 8.204 8.250 0.052 0.087 0.483 53 T N 3.228 117.613 114.554 -0.282 0.000 2.772 53 T HA 0.209 4.373 4.350 -0.309 0.000 0.288 53 T C -1.520 172.693 174.700 -0.811 0.000 0.994 53 T CA -0.373 61.409 62.100 -0.529 0.000 0.951 53 T CB 0.946 69.427 68.868 -0.645 0.000 0.933 53 T HN 0.120 8.199 8.240 -0.269 0.000 0.447 54 L N 7.222 128.190 121.223 -0.426 0.000 2.439 54 L HA 0.155 4.486 4.340 -0.238 -0.133 0.269 54 L C -0.015 176.746 176.870 -0.181 0.000 1.179 54 L CA 0.507 55.190 54.840 -0.262 0.000 0.828 54 L CB 0.683 42.688 42.059 -0.091 0.000 1.106 54 L HN 0.736 8.800 8.230 -0.277 0.000 0.467 55 A N 2.063 124.907 122.820 0.041 0.000 2.322 55 A HA 0.146 4.842 4.320 0.627 0.000 0.269 55 A C -0.860 176.800 177.584 0.126 0.000 1.094 55 A CA -1.016 51.176 52.037 0.259 0.000 0.807 55 A CB 1.204 20.309 19.000 0.175 0.000 1.047 55 A HN 0.072 8.221 8.150 -0.001 0.000 0.487 56 D N 2.562 123.029 120.400 0.113 0.000 2.342 56 D HA -0.243 4.439 4.640 0.069 0.000 0.260 56 D C 0.818 177.154 176.300 0.060 0.000 1.278 56 D CA 1.859 55.903 54.000 0.072 0.000 0.910 56 D CB -0.730 40.106 40.800 0.060 0.000 1.079 56 D HN 0.220 8.662 8.370 0.119 0.000 0.496 57 G N 3.468 112.304 108.800 0.060 0.000 2.255 57 G HA2 -0.349 3.643 3.960 0.054 0.000 0.196 57 G HA3 -0.349 3.645 3.960 0.057 0.000 0.196 57 G C -0.597 174.349 174.900 0.077 0.000 0.998 57 G CA -0.442 44.695 45.100 0.060 0.000 0.656 57 G HN 0.216 8.541 8.290 0.059 0.000 0.490 58 V N 4.094 124.060 119.914 0.086 0.000 2.614 58 V HA 0.070 4.269 4.120 0.132 0.000 0.291 58 V C -1.581 174.611 176.094 0.163 0.000 1.049 58 V CA -1.420 60.956 62.300 0.126 0.000 1.038 58 V CB 0.496 32.380 31.823 0.102 0.000 0.980 58 V HN -0.658 7.514 8.190 0.077 0.065 0.481 59 P HA 0.003 4.473 4.420 0.083 0.000 0.266 59 P C -0.198 177.160 177.300 0.096 0.000 1.186 59 P CA 0.354 63.546 63.100 0.153 0.000 0.767 59 P CB 0.657 32.452 31.700 0.157 0.000 0.820 60 S N 2.715 118.415 115.700 -0.001 0.000 2.515 60 S HA -0.253 4.221 4.470 0.006 0.000 0.231 60 S C 1.235 175.775 174.600 -0.098 0.000 0.987 60 S CA 2.489 60.673 58.200 -0.028 0.000 0.936 60 S CB -0.038 63.142 63.200 -0.033 0.000 0.766 60 S HN 0.340 8.643 8.310 -0.012 0.000 0.528 61 R N -1.247 119.117 120.500 -0.227 0.000 2.316 61 R HA -0.106 4.092 4.340 -0.236 0.000 0.202 61 R C -0.947 175.088 176.300 -0.441 0.000 1.029 61 R CA 0.901 56.782 56.100 -0.364 0.000 1.018 61 R CB -0.632 29.381 30.300 -0.480 0.000 0.888 61 R HN -0.113 7.968 8.270 -0.232 0.049 0.471 62 F N 0.724 120.632 119.950 -0.070 0.000 2.361 62 F HA 0.334 4.779 4.527 -0.138 0.000 0.364 62 F C -0.709 175.015 175.800 -0.126 0.000 1.120 62 F CA -0.545 57.394 58.000 -0.103 0.000 1.102 62 F CB 0.616 39.578 39.000 -0.063 0.000 1.183 62 F HN -0.791 7.381 8.300 -0.079 0.080 0.476 63 S N 3.850 119.550 115.700 -0.000 0.000 2.542 63 S HA 0.295 4.738 4.470 -0.045 0.000 0.293 63 S C -1.422 173.094 174.600 -0.139 0.000 1.089 63 S CA -1.478 56.683 58.200 -0.065 0.000 0.961 63 S CB 3.448 66.602 63.200 -0.076 0.000 1.062 63 S HN 0.675 8.967 8.310 -0.028 0.000 0.483 64 G N 0.929 109.661 108.800 -0.115 0.000 2.495 64 G HA2 0.729 4.533 3.960 -0.259 0.000 0.318 64 G HA3 0.729 4.650 3.960 -0.064 0.000 0.318 64 G C -2.040 172.856 174.900 -0.007 0.000 1.257 64 G CA -1.252 43.778 45.100 -0.117 0.000 0.962 64 G HN 0.097 8.340 8.290 -0.079 0.000 0.483 65 S N 2.072 117.800 115.700 0.047 0.000 2.697 65 S HA 0.635 5.139 4.470 0.056 0.000 0.289 65 S C -1.426 173.274 174.600 0.167 0.000 1.149 65 S CA -0.952 57.289 58.200 0.067 0.000 0.850 65 S CB 3.094 66.288 63.200 -0.010 0.000 1.151 65 S HN 0.971 9.300 8.310 0.031 0.000 0.491 66 G N -0.473 108.339 108.800 0.020 0.000 2.484 66 G HA2 -0.152 3.662 3.960 -0.243 0.000 0.685 66 G HA3 -0.152 3.765 3.960 -0.124 -0.032 0.685 66 G C -2.187 172.415 174.900 -0.496 0.000 1.294 66 G CA -0.169 44.808 45.100 -0.205 0.000 0.879 66 G HN -0.015 8.259 8.290 -0.027 0.000 0.646 67 S N 0.982 116.162 115.700 -0.866 0.000 2.542 67 S HA 0.387 4.481 4.470 -0.804 -0.107 0.276 67 S C -0.277 173.895 174.600 -0.713 0.000 1.148 67 S CA -0.757 56.981 58.200 -0.769 0.000 0.886 67 S CB 2.799 65.746 63.200 -0.421 0.000 1.109 67 S HN -0.121 7.699 8.310 -0.816 0.000 0.458 68 G N 3.653 112.131 108.800 -0.536 0.000 2.833 68 G HA2 -0.381 3.534 3.960 -0.076 0.000 0.260 68 G HA3 -0.381 3.452 3.960 -0.212 0.000 0.260 68 G C -0.474 174.324 174.900 -0.170 0.000 1.412 68 G CA 1.293 46.247 45.100 -0.243 0.000 0.986 68 G HN 0.826 8.694 8.290 -0.502 0.122 0.556 69 T N 6.115 120.574 114.554 -0.158 0.000 3.085 69 T HA 0.164 4.566 4.350 0.087 0.000 0.264 69 T C -1.376 173.305 174.700 -0.031 0.000 1.019 69 T CA 0.052 62.137 62.100 -0.025 0.000 0.910 69 T CB 0.881 69.741 68.868 -0.014 0.000 1.059 69 T HN 0.062 8.193 8.240 -0.181 0.000 0.542 70 Q N 0.698 120.350 119.800 -0.246 0.000 2.274 70 Q HA 0.485 4.973 4.340 0.035 -0.127 0.268 70 Q C -2.580 173.188 176.000 -0.387 0.000 1.015 70 Q CA -0.546 55.161 55.803 -0.160 0.000 0.775 70 Q CB 3.810 32.480 28.738 -0.114 0.000 1.256 70 Q HN -0.875 7.044 8.270 -0.476 0.065 0.442 71 F N 2.977 122.965 119.950 0.064 0.000 2.579 71 F HA 0.268 4.914 4.527 0.093 -0.062 0.324 71 F C -1.390 174.548 175.800 0.229 0.000 1.058 71 F CA -1.263 56.822 58.000 0.143 0.000 0.944 71 F CB 4.260 43.370 39.000 0.183 0.000 1.245 71 F HN 1.032 9.528 8.300 0.327 0.000 0.477 72 T N 1.336 116.133 114.554 0.405 0.000 2.993 72 T HA 0.670 5.385 4.350 0.260 -0.208 0.312 72 T C -1.965 172.697 174.700 -0.062 0.000 1.115 72 T CA -0.077 62.138 62.100 0.191 0.000 1.027 72 T CB 2.696 71.593 68.868 0.047 0.000 1.116 72 T HN 0.992 9.361 8.240 0.417 0.122 0.464 73 L N 6.290 127.244 121.223 -0.447 0.000 2.309 73 L HA 0.558 4.445 4.340 -0.755 0.000 0.282 73 L C -1.817 174.790 176.870 -0.438 0.000 1.036 73 L CA -1.169 53.184 54.840 -0.813 0.000 0.806 73 L CB 3.325 44.438 42.059 -1.577 0.000 1.220 73 L HN 1.159 9.060 8.230 -0.351 0.119 0.429 74 T N 8.904 123.261 114.554 -0.329 0.000 2.881 74 T HA 0.589 5.009 4.350 -0.217 -0.200 0.291 74 T C -1.045 173.548 174.700 -0.178 0.000 0.990 74 T CA -0.320 61.651 62.100 -0.216 0.000 0.976 74 T CB 1.705 70.482 68.868 -0.152 0.000 0.970 74 T HN 1.089 9.024 8.240 -0.338 0.102 0.438 75 I N 8.071 128.535 120.570 -0.178 0.000 2.306 75 I HA 0.418 4.677 4.170 -0.185 -0.200 0.288 75 I C 0.322 176.332 176.117 -0.177 0.000 1.036 75 I CA -1.103 60.089 61.300 -0.180 0.000 1.221 75 I CB -0.492 37.406 38.000 -0.171 0.000 1.385 75 I HN 0.882 8.870 8.210 -0.189 0.108 0.472 76 S N 9.717 125.306 115.700 -0.184 0.000 2.374 76 S HA -0.317 4.080 4.470 -0.121 0.000 0.227 76 S C -0.134 174.383 174.600 -0.139 0.000 1.037 76 S CA 3.677 61.789 58.200 -0.147 0.000 1.024 76 S CB 0.295 63.411 63.200 -0.141 0.000 0.861 76 S HN 0.432 8.620 8.310 -0.203 0.000 0.456 77 S N -1.605 113.990 115.700 -0.174 0.000 2.609 77 S HA 0.141 4.677 4.470 -0.106 -0.129 0.250 77 S C -1.701 172.809 174.600 -0.149 0.000 1.112 77 S CA -0.547 57.571 58.200 -0.137 0.000 1.102 77 S CB 1.533 64.662 63.200 -0.117 0.000 1.124 77 S HN -0.693 7.462 8.310 -0.238 0.013 0.460 78 L N 7.571 128.732 121.223 -0.104 0.000 2.477 78 L HA -0.035 4.381 4.340 -0.083 -0.125 0.272 78 L C -1.308 175.545 176.870 -0.030 0.000 1.157 78 L CA 0.301 55.103 54.840 -0.064 0.000 0.889 78 L CB 0.622 42.663 42.059 -0.030 0.000 1.158 78 L HN 0.455 8.632 8.230 -0.089 0.000 0.473 79 Q N 7.274 127.068 119.800 -0.010 0.000 2.248 79 Q HA 0.396 4.739 4.340 0.006 0.000 0.263 79 Q C -1.305 174.740 176.000 0.075 0.000 1.007 79 Q CA -2.418 53.396 55.803 0.018 0.000 0.877 79 Q CB 0.539 29.278 28.738 0.002 0.000 1.315 79 Q HN 0.859 9.563 8.270 -0.014 -0.442 0.454 80 P HA -0.256 4.233 4.420 0.115 0.000 0.221 80 P C 0.543 177.917 177.300 0.123 0.000 1.145 80 P CA 2.330 65.484 63.100 0.090 0.000 0.795 80 P CB 0.000 31.727 31.700 0.045 0.000 0.775 81 E N -5.001 115.269 120.200 0.117 0.000 2.478 81 E HA -0.156 4.267 4.350 0.122 0.000 0.194 81 E C 0.542 177.263 176.600 0.202 0.000 1.045 81 E CA 1.578 58.059 56.400 0.135 0.000 0.868 81 E CB -1.283 28.479 29.700 0.103 0.000 0.885 81 E HN 0.366 8.729 8.360 0.094 0.053 0.505 82 D N 0.359 120.901 120.400 0.237 0.000 2.336 82 D HA 0.023 4.880 4.640 0.361 0.000 0.229 82 D C -1.177 175.313 176.300 0.317 0.000 1.061 82 D CA 0.484 54.677 54.000 0.323 0.000 0.875 82 D CB -0.252 40.746 40.800 0.331 0.000 0.904 82 D HN 0.048 8.347 8.370 0.197 0.189 0.525 83 F N 3.500 123.529 119.950 0.132 0.000 2.506 83 F HA -0.126 4.666 4.527 0.133 -0.185 0.369 83 F C -1.741 174.095 175.800 0.059 0.000 1.114 83 F CA 1.263 59.324 58.000 0.103 0.000 1.121 83 F CB 0.114 39.151 39.000 0.062 0.000 1.104 83 F HN -1.098 7.333 8.300 0.377 0.095 0.564 84 A N 6.270 128.996 122.820 -0.158 0.000 2.438 84 A HA 0.061 4.326 4.320 -0.092 0.000 0.301 84 A C -2.989 174.439 177.584 -0.261 0.000 1.101 84 A CA -0.609 51.312 52.037 -0.193 0.000 0.621 84 A CB 2.577 21.417 19.000 -0.268 0.000 1.350 84 A HN -0.432 7.562 8.150 -0.261 0.000 0.496 85 N N -1.322 117.228 118.700 -0.249 0.000 2.424 85 N HA 0.460 5.341 4.740 -0.025 -0.156 0.271 85 N C -1.308 174.127 175.510 -0.126 0.000 0.985 85 N CA -1.744 51.253 53.050 -0.088 0.000 0.921 85 N CB 1.515 40.049 38.487 0.078 0.000 1.149 85 N HN -0.256 7.974 8.380 -0.250 0.000 0.492 86 Y N 2.027 122.381 120.300 0.090 0.000 2.353 86 Y HA 0.376 5.252 4.550 0.243 -0.181 0.340 86 Y C -0.550 175.477 175.900 0.212 0.000 0.972 86 Y CA -1.300 56.918 58.100 0.196 0.000 1.157 86 Y CB 1.187 39.748 38.460 0.169 0.000 1.157 86 Y HN 0.904 9.227 8.280 0.273 0.121 0.495 87 Y N 3.122 123.616 120.300 0.324 0.000 2.331 87 Y HA 0.538 5.454 4.550 0.228 -0.229 0.334 87 Y C 0.192 176.246 175.900 0.257 0.000 0.960 87 Y CA -1.326 56.949 58.100 0.291 0.000 1.130 87 Y CB 2.260 40.894 38.460 0.290 0.000 1.164 87 Y HN -0.165 8.457 8.280 0.569 0.000 0.458 88 c N 1.584 120.174 118.600 -0.016 0.000 2.705 88 c HA 0.740 5.097 4.570 -0.609 -0.152 0.311 88 c C -0.702 173.127 174.090 -0.435 0.000 1.576 88 c CA -1.659 54.337 56.329 -0.555 0.000 2.161 88 c CB 3.112 44.913 42.510 -1.183 0.000 2.032 88 c HN 0.152 8.593 8.230 -0.060 -0.248 0.616 89 Q N -2.468 116.988 119.800 -0.572 0.000 2.721 89 Q HA 0.297 4.372 4.340 -0.664 -0.134 0.282 89 Q C -2.228 173.592 176.000 -0.299 0.000 0.932 89 Q CA -0.318 55.130 55.803 -0.592 0.000 0.816 89 Q CB 4.066 32.260 28.738 -0.907 0.000 1.506 89 Q HN -0.075 7.796 8.270 -0.664 0.000 0.399 90 H N -0.007 118.981 119.070 -0.137 0.000 2.524 90 H HA 0.930 5.614 4.556 -0.151 -0.219 0.353 90 H C -0.954 174.443 175.328 0.115 0.000 1.136 90 H CA -3.472 52.529 56.048 -0.078 0.000 1.193 90 H CB 2.251 31.952 29.762 -0.101 0.000 1.558 90 H HN -0.046 8.007 8.280 -0.378 0.000 0.515 91 F N -2.559 117.528 119.950 0.229 0.000 2.818 91 F HA 0.465 5.250 4.527 0.430 0.000 0.369 91 F C -1.890 173.949 175.800 0.066 0.000 1.327 91 F CA -2.204 55.918 58.000 0.204 0.000 1.211 91 F CB -0.324 38.721 39.000 0.075 0.000 1.036 91 F HN -0.599 7.534 8.300 -0.279 0.000 0.510 92 W N 0.568 121.649 121.300 -0.365 0.000 2.699 92 W HA 0.121 4.382 4.660 -0.665 0.000 0.267 92 W C -1.324 174.943 176.519 -0.420 0.000 1.182 92 W CA 1.120 58.166 57.345 -0.498 0.000 1.453 92 W CB 1.605 30.825 29.460 -0.400 0.000 1.054 92 W HN 0.209 8.264 8.180 -0.107 0.061 0.595 93 S N -4.862 110.336 115.700 -0.836 0.000 2.724 93 S HA 0.000 3.965 4.470 -0.842 0.000 0.278 93 S C -1.755 171.948 174.600 -1.495 0.000 1.190 93 S CA -1.403 56.152 58.200 -1.074 0.000 0.860 93 S CB 2.058 64.617 63.200 -1.068 0.000 1.206 93 S HN -0.730 7.104 8.310 -0.793 0.000 0.507 94 L N 0.801 121.474 121.223 -0.917 0.000 2.482 94 L HA 0.079 4.026 4.340 -0.729 -0.043 0.273 94 L C -0.671 175.963 176.870 -0.395 0.000 1.228 94 L CA -0.040 54.458 54.840 -0.571 0.000 0.827 94 L CB 0.260 42.248 42.059 -0.118 0.000 1.099 94 L HN 0.285 8.146 8.230 -0.615 0.000 0.494 95 P HA 0.159 4.685 4.420 0.176 0.000 0.266 95 P C -1.434 176.081 177.300 0.357 0.000 1.381 95 P CA -0.811 62.380 63.100 0.153 0.000 0.940 95 P CB -0.048 31.792 31.700 0.232 0.000 1.435 96 F N -5.969 114.141 119.950 0.265 0.000 3.040 96 F HA -0.405 4.483 4.527 0.344 -0.154 0.298 96 F C -0.830 175.168 175.800 0.331 0.000 0.948 96 F CA -0.020 58.126 58.000 0.243 0.000 1.022 96 F CB -2.446 36.486 39.000 -0.114 0.000 1.023 96 F HN -0.616 7.478 8.300 -0.201 0.085 0.742 97 T N -5.952 108.854 114.554 0.421 0.000 2.936 97 T HA 0.460 5.257 4.350 0.527 -0.131 0.282 97 T C -0.682 174.105 174.700 0.145 0.000 1.003 97 T CA -1.912 60.400 62.100 0.353 0.000 1.005 97 T CB 2.300 71.333 68.868 0.276 0.000 1.097 97 T HN -0.618 7.936 8.240 0.523 0.000 0.532 98 F N -0.794 119.187 119.950 0.051 0.000 2.461 98 F HA 0.437 5.089 4.527 -0.013 -0.132 0.337 98 F C 0.818 176.666 175.800 0.080 0.000 1.079 98 F CA -0.947 57.088 58.000 0.059 0.000 1.032 98 F CB 2.177 41.252 39.000 0.125 0.000 1.327 98 F HN -0.576 8.084 8.300 0.601 0.000 0.491 99 G N -3.110 105.868 108.800 0.296 0.000 2.624 99 G HA2 0.100 4.098 3.960 0.063 0.000 0.217 99 G HA3 0.100 4.226 3.960 0.010 -0.159 0.217 99 G C -0.385 174.599 174.900 0.139 0.000 1.506 99 G CA -0.790 44.380 45.100 0.117 0.000 1.072 99 G HN -0.476 8.026 8.290 0.353 0.000 0.568 100 Q N 0.369 120.134 119.800 -0.058 0.000 2.354 100 Q HA -0.021 4.358 4.340 0.066 0.000 0.203 100 Q C -0.072 175.637 176.000 -0.485 0.000 0.933 100 Q CA 1.000 56.746 55.803 -0.094 0.000 0.901 100 Q CB 1.163 29.871 28.738 -0.050 0.000 1.007 100 Q HN 0.422 8.646 8.270 -0.075 0.000 0.495 101 G N -2.771 105.492 108.800 -0.895 0.000 3.055 101 G HA2 -0.329 2.936 3.960 -1.490 0.000 0.686 101 G HA3 -0.329 2.632 3.960 -1.665 0.000 0.686 101 G C -1.857 172.806 174.900 -0.395 0.000 1.087 101 G CA -0.509 43.835 45.100 -1.261 0.000 0.779 101 G HN -0.466 7.673 8.290 -0.575 -0.194 0.599 102 T N 6.561 121.011 114.554 -0.174 0.000 2.809 102 T HA 0.399 4.810 4.350 -0.051 -0.091 0.284 102 T C -0.852 173.879 174.700 0.052 0.000 0.992 102 T CA -0.487 61.602 62.100 -0.017 0.000 0.957 102 T CB 2.221 71.122 68.868 0.055 0.000 0.942 102 T HN 0.429 8.462 8.240 -0.142 0.122 0.439 103 K N 7.836 128.228 120.400 -0.014 0.000 2.213 103 K HA 0.610 5.103 4.320 -0.040 -0.196 0.270 103 K C -1.155 175.387 176.600 -0.097 0.000 1.002 103 K CA -0.984 55.261 56.287 -0.070 0.000 0.868 103 K CB 2.143 34.567 32.500 -0.127 0.000 1.093 103 K HN 0.949 9.053 8.250 -0.034 0.126 0.454 104 V N 5.381 125.222 119.914 -0.122 0.000 2.347 104 V HA 0.323 4.544 4.120 -0.071 -0.143 0.280 104 V C -1.654 174.311 176.094 -0.214 0.000 1.021 104 V CA -1.032 61.208 62.300 -0.101 0.000 0.847 104 V CB 0.929 32.749 31.823 -0.005 0.000 0.990 104 V HN -0.144 7.982 8.190 -0.106 0.000 0.444 105 E N 7.720 127.880 120.200 -0.067 0.000 2.151 105 E HA 0.328 4.840 4.350 0.271 0.000 0.275 105 E C -2.074 174.641 176.600 0.192 0.000 0.936 105 E CA -2.340 54.149 56.400 0.148 0.000 0.777 105 E CB 3.240 33.057 29.700 0.195 0.000 1.108 105 E HN 0.800 9.032 8.360 -0.034 0.108 0.401 106 I N 6.671 127.417 120.570 0.293 0.000 2.347 106 I HA 0.048 4.455 4.170 0.116 -0.168 0.294 106 I C -0.303 175.883 176.117 0.116 0.000 1.090 106 I CA -0.389 61.011 61.300 0.166 0.000 1.314 106 I CB -0.108 37.986 38.000 0.158 0.000 1.423 106 I HN 0.525 9.045 8.210 0.516 0.000 0.503 107 K N 9.970 130.416 120.400 0.077 0.000 2.220 107 K HA 0.079 4.435 4.320 0.061 0.000 0.283 107 K C -0.938 175.683 176.600 0.035 0.000 1.098 107 K CA -0.207 56.112 56.287 0.054 0.000 0.928 107 K CB -0.260 32.265 32.500 0.041 0.000 1.214 107 K HN 0.532 8.717 8.250 0.067 0.106 0.442 108 R N 5.653 126.171 120.500 0.030 0.000 2.460 108 R HA 0.251 4.601 4.340 0.016 0.000 0.303 108 R C 0.320 176.627 176.300 0.011 0.000 0.968 108 R CA -0.269 55.841 56.100 0.017 0.000 0.889 108 R CB 1.111 31.418 30.300 0.012 0.000 1.123 108 R HN -0.297 7.993 8.270 0.034 0.000 0.455 109 T N 4.108 118.667 114.554 0.007 0.000 2.737 109 T HA -0.133 4.221 4.350 0.007 0.000 0.265 109 T C 0.175 174.877 174.700 0.002 0.000 1.038 109 T CA 0.500 62.603 62.100 0.005 0.000 1.144 109 T CB 0.256 69.126 68.868 0.003 0.000 0.866 109 T HN 0.219 8.463 8.240 0.007 0.000 0.434 110 G N 0.010 108.810 108.800 0.000 0.000 2.151 110 G HA2 -0.093 3.864 3.960 -0.004 0.000 0.183 110 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.183 110 G C -1.506 173.392 174.900 -0.003 0.000 1.472 110 G CA -0.541 44.557 45.100 -0.002 0.000 1.060 110 G HN -0.367 7.923 8.290 0.001 0.000 0.641 111 G N 0.744 109.542 108.800 -0.004 0.000 3.899 111 G HA2 -0.011 3.947 3.960 -0.004 0.000 0.293 111 G HA3 -0.011 3.947 3.960 -0.004 0.000 0.293 111 G C 0.517 175.414 174.900 -0.005 0.000 1.054 111 G CA -0.760 44.337 45.100 -0.004 0.000 0.846 111 G HN 0.330 8.617 8.290 -0.006 0.000 0.525 112 G N 1.121 109.917 108.800 -0.006 0.000 2.950 112 G HA2 -0.298 3.657 3.960 -0.007 0.000 0.299 112 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.299 112 G C 0.867 175.761 174.900 -0.009 0.000 1.310 112 G CA 0.041 45.137 45.100 -0.007 0.000 0.994 112 G HN -0.194 8.026 8.290 -0.006 0.066 0.575 113 G N 4.100 112.895 108.800 -0.008 0.000 3.636 113 G HA2 0.173 4.126 3.960 -0.012 0.000 0.260 113 G HA3 0.173 4.128 3.960 -0.008 0.000 0.260 113 G C -0.907 173.987 174.900 -0.010 0.000 1.014 113 G CA -0.615 44.479 45.100 -0.010 0.000 1.797 113 G HN 0.026 8.312 8.290 -0.007 0.000 0.637 114 S N 2.191 117.884 115.700 -0.012 0.000 2.404 114 S HA 0.139 4.605 4.470 -0.007 0.000 0.309 114 S C -0.439 174.151 174.600 -0.016 0.000 1.076 114 S CA 0.107 58.301 58.200 -0.011 0.000 1.095 114 S CB -0.554 62.641 63.200 -0.009 0.000 0.972 114 S HN -0.465 7.778 8.310 -0.014 0.059 0.484 115 G N 4.472 113.265 108.800 -0.012 0.000 3.311 115 G HA2 0.104 4.051 3.960 -0.022 0.000 0.130 115 G HA3 0.104 4.052 3.960 -0.020 0.000 0.130 115 G C -0.917 173.981 174.900 -0.002 0.000 1.323 115 G CA 0.168 45.259 45.100 -0.015 0.000 1.262 115 G HN 0.074 8.360 8.290 -0.007 0.000 0.678 116 G N -1.258 107.542 108.800 -0.000 0.000 2.350 116 G HA2 0.527 4.491 3.960 0.007 0.000 0.276 116 G HA3 0.527 4.495 3.960 0.013 0.000 0.276 116 G C -0.308 174.596 174.900 0.007 0.000 1.313 116 G CA 0.525 45.629 45.100 0.007 0.000 0.903 116 G HN 0.826 9.114 8.290 -0.004 0.000 0.490 117 G N -0.556 108.251 108.800 0.012 0.000 3.039 117 G HA2 0.159 4.123 3.960 0.008 0.000 0.159 117 G HA3 0.159 4.126 3.960 0.013 0.000 0.159 117 G C 0.202 175.111 174.900 0.015 0.000 1.284 117 G CA -0.074 45.033 45.100 0.012 0.000 0.996 117 G HN 0.124 8.424 8.290 0.016 0.000 0.592 118 G N -1.630 107.180 108.800 0.017 0.000 2.828 118 G HA2 0.317 4.289 3.960 0.019 0.000 0.244 118 G HA3 0.317 4.288 3.960 0.018 0.000 0.244 118 G C -0.983 173.932 174.900 0.026 0.000 1.365 118 G CA -0.396 44.716 45.100 0.020 0.000 1.041 118 G HN -0.085 8.214 8.290 0.016 0.000 0.560 119 S N 0.138 115.855 115.700 0.028 0.000 2.536 119 S HA 0.329 4.821 4.470 0.036 0.000 0.298 119 S C -0.542 174.078 174.600 0.033 0.000 1.083 119 S CA -0.272 57.949 58.200 0.034 0.000 0.995 119 S CB 1.103 64.325 63.200 0.038 0.000 1.058 119 S HN 0.084 8.410 8.310 0.026 0.000 0.488 120 G N 1.385 110.206 108.800 0.036 0.000 2.355 120 G HA2 -0.187 3.795 3.960 0.038 0.000 0.619 120 G HA3 -0.187 3.791 3.960 0.031 0.000 0.619 120 G C -2.529 172.388 174.900 0.029 0.000 1.337 120 G CA -0.233 44.887 45.100 0.033 0.000 0.993 120 G HN -0.172 8.141 8.290 0.038 0.000 0.599 121 G N -1.585 107.231 108.800 0.027 0.000 2.815 121 G HA2 0.012 3.985 3.960 0.021 0.000 0.305 121 G HA3 0.012 3.986 3.960 0.024 0.000 0.305 121 G C -1.756 173.156 174.900 0.020 0.000 1.277 121 G CA -0.029 45.084 45.100 0.023 0.000 0.795 121 G HN 0.238 8.544 8.290 0.027 0.000 0.528 122 G N -0.836 107.974 108.800 0.017 0.000 2.367 122 G HA2 -0.054 3.914 3.960 0.014 0.000 0.282 122 G HA3 -0.054 3.914 3.960 0.014 0.000 0.282 122 G C 0.483 175.392 174.900 0.015 0.000 1.140 122 G CA 0.391 45.499 45.100 0.015 0.000 1.088 122 G HN 0.070 8.371 8.290 0.018 0.000 0.431 123 G N 5.008 113.817 108.800 0.014 0.000 2.201 123 G HA2 -0.234 3.784 3.960 0.012 0.000 0.212 123 G HA3 -0.234 3.780 3.960 0.013 -0.046 0.212 123 G C 0.206 175.116 174.900 0.015 0.000 0.994 123 G CA -0.503 44.605 45.100 0.014 0.000 0.644 123 G HN -0.190 8.109 8.290 0.014 0.000 0.508 124 S N 4.397 120.108 115.700 0.019 0.000 2.481 124 S HA -0.057 4.620 4.470 0.023 -0.193 0.282 124 S C 1.322 175.935 174.600 0.021 0.000 1.243 124 S CA 1.504 59.718 58.200 0.022 0.000 1.078 124 S CB -0.457 62.759 63.200 0.027 0.000 0.916 124 S HN -0.455 7.807 8.310 0.019 0.059 0.495 125 G N 5.998 114.811 108.800 0.021 0.000 2.168 125 G HA2 -0.336 3.637 3.960 0.021 0.000 0.263 125 G HA3 -0.336 3.637 3.960 0.022 0.000 0.263 125 G C -0.835 174.074 174.900 0.014 0.000 0.977 125 G CA 0.746 45.858 45.100 0.020 0.000 0.659 125 G HN 0.654 9.267 8.290 0.022 -0.311 0.533 126 G N -0.395 108.413 108.800 0.013 0.000 3.324 126 G HA2 0.151 4.116 3.960 0.009 0.000 0.188 126 G HA3 0.151 4.117 3.960 0.010 0.000 0.188 126 G C -0.883 174.022 174.900 0.008 0.000 1.384 126 G CA 0.386 45.492 45.100 0.010 0.000 0.841 126 G HN -0.401 7.727 8.290 0.014 0.170 0.758 127 G N 1.980 110.785 108.800 0.008 0.000 2.821 127 G HA2 0.073 4.036 3.960 0.006 0.000 0.289 127 G HA3 0.073 4.037 3.960 0.007 0.000 0.289 127 G C -0.789 174.116 174.900 0.008 0.000 0.771 127 G CA -0.325 44.779 45.100 0.007 0.000 1.908 127 G HN 0.239 8.534 8.290 0.009 0.000 0.539 128 G N 0.977 109.782 108.800 0.008 0.000 2.316 128 G HA2 -0.084 3.881 3.960 0.008 0.000 0.296 128 G HA3 -0.084 3.882 3.960 0.010 0.000 0.296 128 G C -2.196 172.708 174.900 0.006 0.000 1.399 128 G CA -0.175 44.930 45.100 0.008 0.000 0.833 128 G HN -0.613 7.649 8.290 0.007 0.032 0.565 129 S N 0.360 116.064 115.700 0.005 0.000 2.548 129 S HA -0.012 4.458 4.470 0.001 0.000 0.277 129 S C -0.251 174.347 174.600 -0.004 0.000 1.315 129 S CA 0.104 58.304 58.200 0.001 0.000 1.050 129 S CB 0.617 63.818 63.200 0.001 0.000 0.918 129 S HN 0.035 8.350 8.310 0.007 0.000 0.497 130 E N 4.686 124.880 120.200 -0.009 0.000 2.302 130 E HA 0.164 4.503 4.350 -0.018 0.000 0.263 130 E C -1.294 175.281 176.600 -0.043 0.000 0.897 130 E CA -0.354 56.037 56.400 -0.015 0.000 0.809 130 E CB 2.014 31.718 29.700 0.006 0.000 1.270 130 E HN 0.214 8.570 8.360 -0.007 0.000 0.410 131 V N 7.021 126.858 119.914 -0.128 0.000 2.432 131 V HA 0.082 4.309 4.120 -0.105 -0.169 0.271 131 V C -1.059 174.835 176.094 -0.333 0.000 1.046 131 V CA -0.081 62.049 62.300 -0.283 0.000 0.945 131 V CB 0.325 31.780 31.823 -0.613 0.000 0.992 131 V HN 0.555 8.670 8.190 -0.126 0.000 0.471 132 Q N 5.770 125.491 119.800 -0.132 0.000 2.315 132 Q HA 0.677 5.159 4.340 0.237 0.000 0.273 132 Q C -1.941 174.160 176.000 0.170 0.000 1.053 132 Q CA -2.313 53.537 55.803 0.079 0.000 0.817 132 Q CB 4.096 32.896 28.738 0.104 0.000 1.326 132 Q HN 0.607 8.865 8.270 -0.020 0.000 0.423 133 L N 3.316 124.731 121.223 0.321 0.000 2.343 133 L HA 0.806 5.489 4.340 0.186 -0.231 0.278 133 L C -1.215 175.745 176.870 0.150 0.000 0.996 133 L CA -1.220 53.760 54.840 0.234 0.000 0.831 133 L CB 2.567 44.783 42.059 0.263 0.000 1.232 133 L HN 0.283 8.801 8.230 0.481 0.000 0.413 134 V N 4.085 124.057 119.914 0.096 0.000 2.349 134 V HA 0.279 4.443 4.120 0.073 0.000 0.284 134 V C -0.981 175.147 176.094 0.058 0.000 1.014 134 V CA -1.274 61.067 62.300 0.069 0.000 0.826 134 V CB 1.346 33.201 31.823 0.053 0.000 1.009 134 V HN 0.460 8.703 8.190 0.087 0.000 0.431 135 E N 8.379 128.618 120.200 0.066 0.000 2.319 135 E HA 0.695 5.300 4.350 0.108 -0.190 0.268 135 E C -0.611 176.028 176.600 0.064 0.000 1.050 135 E CA -0.178 56.277 56.400 0.092 0.000 0.878 135 E CB 1.468 31.250 29.700 0.138 0.000 1.066 135 E HN 0.432 8.829 8.360 0.063 0.000 0.406 136 S N 0.146 115.886 115.700 0.067 0.000 2.615 136 S HA 0.260 4.747 4.470 0.028 0.000 0.269 136 S C -0.787 173.831 174.600 0.030 0.000 1.161 136 S CA -0.599 57.623 58.200 0.038 0.000 0.817 136 S CB 2.742 65.960 63.200 0.029 0.000 1.131 136 S HN 0.699 9.065 8.310 0.093 0.000 0.467 137 G N -0.380 108.428 108.800 0.013 0.000 2.231 137 G HA2 -0.280 3.682 3.960 0.004 0.000 0.206 137 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.206 137 G C -1.045 173.841 174.900 -0.022 0.000 0.996 137 G CA 0.206 45.305 45.100 -0.002 0.000 0.645 137 G HN 0.260 8.556 8.290 0.012 0.000 0.498 138 G N -0.676 108.112 108.800 -0.021 0.000 2.614 138 G HA2 -0.049 3.880 3.960 -0.051 0.000 0.239 138 G HA3 -0.049 3.992 3.960 -0.017 -0.091 0.239 138 G C -0.838 174.053 174.900 -0.015 0.000 1.240 138 G CA 0.131 45.215 45.100 -0.027 0.000 0.842 138 G HN -0.289 7.931 8.290 -0.008 0.065 0.584 139 G N -1.121 107.673 108.800 -0.011 0.000 2.323 139 G HA2 -0.155 3.808 3.960 0.004 0.000 0.291 139 G HA3 -0.155 3.807 3.960 0.003 0.000 0.291 139 G C -3.089 171.819 174.900 0.013 0.000 1.278 139 G CA 0.087 45.188 45.100 0.002 0.000 0.860 139 G HN -0.526 7.756 8.290 -0.014 0.000 0.504 140 L N 1.403 122.647 121.223 0.035 0.000 2.272 140 L HA 0.958 5.566 4.340 0.041 -0.243 0.289 140 L C -1.315 175.598 176.870 0.072 0.000 1.032 140 L CA -0.829 54.047 54.840 0.060 0.000 0.810 140 L CB 1.882 43.987 42.059 0.078 0.000 1.205 140 L HN 0.103 8.359 8.230 0.042 0.000 0.422 141 V N 5.767 125.707 119.914 0.042 0.000 2.914 141 V HA 0.429 4.539 4.120 -0.016 0.000 0.314 141 V C -1.770 174.336 176.094 0.020 0.000 1.084 141 V CA -2.758 59.547 62.300 0.007 0.000 0.963 141 V CB 4.197 36.007 31.823 -0.022 0.000 1.025 141 V HN 0.758 8.972 8.190 0.039 0.000 0.432 142 Q N 4.941 124.736 119.800 -0.009 0.000 2.327 142 Q HA 0.721 5.397 4.340 0.044 -0.310 0.254 142 Q C -1.679 174.323 176.000 0.003 0.000 0.952 142 Q CA -2.234 53.574 55.803 0.009 0.000 0.884 142 Q CB 0.604 29.332 28.738 -0.016 0.000 1.224 142 Q HN 0.389 8.629 8.270 -0.050 0.000 0.422 143 P HA -0.501 3.922 4.420 0.005 0.000 0.265 143 P C 0.216 177.511 177.300 -0.008 0.000 1.187 143 P CA 1.133 64.238 63.100 0.007 0.000 0.766 143 P CB -0.020 31.691 31.700 0.019 0.000 0.820 144 G N 3.806 112.592 108.800 -0.023 0.000 2.205 144 G HA2 -0.368 3.564 3.960 -0.047 0.000 0.261 144 G HA3 -0.368 3.575 3.960 -0.029 0.000 0.261 144 G C 0.344 175.216 174.900 -0.048 0.000 0.980 144 G CA -0.077 45.001 45.100 -0.037 0.000 0.632 144 G HN 0.408 8.683 8.290 -0.024 0.000 0.533 145 G N -0.586 108.187 108.800 -0.045 0.000 2.516 145 G HA2 0.147 4.075 3.960 -0.054 0.000 0.276 145 G HA3 0.147 4.142 3.960 -0.051 -0.065 0.276 145 G C -2.216 172.643 174.900 -0.067 0.000 1.390 145 G CA -0.722 44.346 45.100 -0.054 0.000 1.050 145 G HN -0.204 7.970 8.290 -0.035 0.096 0.519 146 S N -1.541 114.118 115.700 -0.069 0.000 2.569 146 S HA 0.865 5.441 4.470 -0.089 -0.159 0.280 146 S C -1.155 173.402 174.600 -0.072 0.000 1.111 146 S CA -1.181 56.972 58.200 -0.078 0.000 0.887 146 S CB 3.742 66.895 63.200 -0.078 0.000 1.095 146 S HN -0.017 8.255 8.310 -0.064 0.000 0.476 147 L N 0.851 122.027 121.223 -0.079 0.000 2.472 147 L HA 0.350 4.649 4.340 -0.067 0.000 0.260 147 L C -2.300 174.517 176.870 -0.088 0.000 0.963 147 L CA -0.376 54.415 54.840 -0.081 0.000 0.829 147 L CB 4.525 46.528 42.059 -0.093 0.000 1.348 147 L HN 0.662 8.840 8.230 -0.086 0.000 0.408 148 R N 4.533 124.993 120.500 -0.067 0.000 2.275 148 R HA 0.542 5.043 4.340 -0.068 -0.201 0.326 148 R C -1.020 175.257 176.300 -0.038 0.000 0.973 148 R CA -1.080 54.993 56.100 -0.045 0.000 0.854 148 R CB 0.759 31.056 30.300 -0.004 0.000 1.156 148 R HN 0.348 8.586 8.270 -0.053 0.000 0.487 149 L N 8.185 129.336 121.223 -0.119 0.000 2.350 149 L HA 0.382 4.805 4.340 -0.056 -0.117 0.275 149 L C -1.240 175.630 176.870 -0.001 0.000 1.099 149 L CA -0.051 54.720 54.840 -0.114 0.000 0.808 149 L CB 1.639 43.521 42.059 -0.295 0.000 1.149 149 L HN 0.510 8.626 8.230 -0.191 0.000 0.442 150 S N 2.037 117.783 115.700 0.076 0.000 2.532 150 S HA 1.018 5.793 4.470 0.045 -0.278 0.299 150 S C -1.561 173.119 174.600 0.132 0.000 1.105 150 S CA -1.045 57.194 58.200 0.065 0.000 1.018 150 S CB 2.343 65.539 63.200 -0.007 0.000 1.021 150 S HN 0.736 9.085 8.310 0.066 0.000 0.483 151 c N 4.935 123.627 118.600 0.154 0.000 2.319 151 c HA 0.391 5.158 4.570 0.105 -0.133 0.323 151 c C -1.964 172.139 174.090 0.022 0.000 1.277 151 c CA -2.984 53.413 56.329 0.112 0.000 1.517 151 c CB 2.309 44.858 42.510 0.066 0.000 2.206 151 c HN 0.648 8.955 8.230 0.129 0.000 0.486 152 A N 7.916 130.742 122.820 0.011 0.000 2.320 152 A HA 0.489 4.891 4.320 -0.079 -0.130 0.287 152 A C -1.980 175.621 177.584 0.029 0.000 1.181 152 A CA -1.159 50.864 52.037 -0.023 0.000 0.831 152 A CB 1.550 20.533 19.000 -0.028 0.000 1.102 152 A HN 0.870 8.922 8.150 0.029 0.116 0.513 153 A N 4.911 127.733 122.820 0.003 0.000 2.304 153 A HA 0.713 5.175 4.320 0.237 0.000 0.323 153 A C -1.248 176.291 177.584 -0.075 0.000 1.195 153 A CA -1.642 50.447 52.037 0.088 0.000 0.826 153 A CB 1.947 21.057 19.000 0.184 0.000 1.184 153 A HN 0.651 8.745 8.150 -0.094 0.000 0.496 154 S N 3.055 118.781 115.700 0.042 0.000 2.570 154 S HA 0.210 4.579 4.470 -0.167 0.000 0.270 154 S C 0.019 174.675 174.600 0.092 0.000 1.149 154 S CA -1.174 57.004 58.200 -0.038 0.000 0.837 154 S CB 2.813 65.999 63.200 -0.023 0.000 1.124 154 S HN 0.136 8.603 8.310 0.261 0.000 0.465 155 G N 1.130 109.940 108.800 0.018 0.000 2.157 155 G HA2 -0.344 3.624 3.960 0.013 0.000 0.248 155 G HA3 -0.344 3.873 3.960 0.055 -0.224 0.248 155 G C -2.140 172.846 174.900 0.144 0.000 0.979 155 G CA 1.122 46.258 45.100 0.060 0.000 0.650 155 G HN 0.376 8.635 8.290 -0.052 0.000 0.529 156 F N -4.335 115.532 119.950 -0.139 0.000 2.831 156 F HA 0.262 4.704 4.527 -0.141 0.000 0.318 156 F C -2.426 173.343 175.800 -0.050 0.000 1.174 156 F CA -3.317 54.579 58.000 -0.173 0.000 0.918 156 F CB 0.802 39.559 39.000 -0.406 0.000 1.364 156 F HN -0.839 7.310 8.300 -0.177 0.045 0.475 157 D N 1.030 121.465 120.400 0.060 0.000 2.348 157 D HA 0.067 4.718 4.640 0.020 0.000 0.253 157 D C -0.864 175.442 176.300 0.010 0.000 1.161 157 D CA 0.019 54.084 54.000 0.108 0.000 0.876 157 D CB 0.901 41.919 40.800 0.362 0.000 1.160 157 D HN -0.027 8.484 8.370 0.236 0.000 0.459 158 F N 4.389 124.203 119.950 -0.227 0.000 2.530 158 F HA -0.078 4.278 4.527 -0.285 0.000 0.292 158 F C -0.140 175.639 175.800 -0.034 0.000 1.109 158 F CA 2.232 60.103 58.000 -0.215 0.000 1.450 158 F CB 1.449 40.294 39.000 -0.259 0.000 1.114 158 F HN 0.280 8.616 8.300 0.061 0.000 0.560 159 S N -3.435 112.306 115.700 0.069 0.000 2.556 159 S HA -0.007 4.427 4.470 -0.061 0.000 0.216 159 S C 0.027 174.627 174.600 -0.001 0.000 0.970 159 S CA 1.039 59.248 58.200 0.015 0.000 0.912 159 S CB 0.169 63.410 63.200 0.069 0.000 0.790 159 S HN 0.097 8.482 8.310 0.125 0.000 0.504 160 R N -1.125 119.402 120.500 0.045 0.000 2.279 160 R HA -0.028 4.284 4.340 -0.045 0.000 0.195 160 R C -0.919 175.325 176.300 -0.093 0.000 0.905 160 R CA 0.180 56.275 56.100 -0.008 0.000 1.044 160 R CB 0.801 31.118 30.300 0.027 0.000 1.056 160 R HN -0.360 7.916 8.270 0.108 0.058 0.535 161 Y N -1.247 119.049 120.300 -0.006 0.000 2.360 161 Y HA 0.046 4.598 4.550 0.003 0.000 0.337 161 Y C -1.350 174.499 175.900 -0.084 0.000 1.039 161 Y CA -0.171 57.937 58.100 0.014 0.000 1.109 161 Y CB 1.907 40.475 38.460 0.180 0.000 1.201 161 Y HN -0.801 7.620 8.280 0.236 0.000 0.458 162 D N 1.930 122.347 120.400 0.027 0.000 2.277 162 D HA 0.209 4.744 4.640 -0.176 0.000 0.250 162 D C -1.399 174.841 176.300 -0.099 0.000 1.032 162 D CA -0.804 53.136 54.000 -0.099 0.000 0.947 162 D CB 2.976 43.718 40.800 -0.097 0.000 1.159 162 D HN 0.279 8.666 8.370 0.029 0.000 0.460 163 M N -2.885 116.572 119.600 -0.238 0.000 2.716 163 M HA 0.618 5.152 4.480 -0.123 -0.128 0.278 163 M C -1.960 174.166 176.300 -0.291 0.000 1.281 163 M CA -1.506 53.659 55.300 -0.224 0.000 0.814 163 M CB 4.324 36.775 32.600 -0.249 0.000 1.719 163 M HN -0.278 7.797 8.290 -0.357 0.000 0.457 164 S N -1.321 114.226 115.700 -0.255 0.000 2.776 164 S HA 0.310 4.710 4.470 -0.117 0.000 0.292 164 S C -2.292 172.063 174.600 -0.408 0.000 1.187 164 S CA 0.578 58.699 58.200 -0.131 0.000 0.834 164 S CB 3.725 67.151 63.200 0.377 0.000 1.199 164 S HN 0.666 8.658 8.310 -0.334 0.117 0.514 165 W N -1.279 119.887 121.300 -0.222 0.000 2.739 165 W HA 0.273 4.801 4.660 -0.220 0.000 0.331 165 W C -1.423 174.946 176.519 -0.251 0.000 1.049 165 W CA -0.590 56.606 57.345 -0.247 0.000 1.234 165 W CB 3.442 32.766 29.460 -0.226 0.000 1.404 165 W HN 0.755 8.940 8.180 0.009 0.000 0.477 166 V N 1.934 121.864 119.914 0.026 0.000 2.841 166 V HA 0.611 4.897 4.120 0.093 -0.110 0.310 166 V C -2.106 174.037 176.094 0.081 0.000 1.090 166 V CA -1.695 60.638 62.300 0.056 0.000 0.930 166 V CB 4.209 36.035 31.823 0.004 0.000 1.014 166 V HN 0.067 8.278 8.190 0.036 0.000 0.425 167 R N 3.061 123.519 120.500 -0.069 0.000 2.740 167 R HA 0.943 5.328 4.340 -0.157 -0.139 0.282 167 R C -2.440 173.774 176.300 -0.143 0.000 0.969 167 R CA -2.430 53.506 56.100 -0.272 0.000 0.918 167 R CB 4.306 34.070 30.300 -0.894 0.000 1.175 167 R HN 1.077 9.328 8.270 -0.031 0.000 0.464 168 Q N 3.466 123.226 119.800 -0.067 0.000 2.294 168 Q HA 0.588 5.000 4.340 -0.158 -0.167 0.264 168 Q C -1.583 174.381 176.000 -0.059 0.000 0.992 168 Q CA -0.947 54.804 55.803 -0.086 0.000 0.747 168 Q CB 4.133 32.793 28.738 -0.130 0.000 1.262 168 Q HN 0.730 8.867 8.270 -0.041 0.108 0.452 169 A N 7.813 130.588 122.820 -0.074 0.000 2.407 169 A HA 0.337 4.637 4.320 -0.033 0.000 0.248 169 A C -2.324 175.244 177.584 -0.027 0.000 1.082 169 A CA -2.200 49.815 52.037 -0.037 0.000 0.785 169 A CB -0.145 18.847 19.000 -0.014 0.000 1.020 169 A HN 0.427 8.527 8.150 -0.083 0.000 0.489 170 P HA -0.187 4.228 4.420 -0.008 0.000 0.260 170 P C 0.384 177.686 177.300 0.004 0.000 1.207 170 P CA 1.061 64.159 63.100 -0.004 0.000 0.780 170 P CB -0.454 31.248 31.700 0.003 0.000 0.789 171 G N 2.038 110.841 108.800 0.004 0.000 2.248 171 G HA2 -0.358 3.624 3.960 0.038 0.000 0.263 171 G HA3 -0.358 3.619 3.960 0.029 0.000 0.263 171 G C -1.571 173.349 174.900 0.034 0.000 1.082 171 G CA -0.150 44.965 45.100 0.026 0.000 0.863 171 G HN 0.241 8.527 8.290 -0.008 0.000 0.495 172 K N -1.122 119.285 120.400 0.011 0.000 2.571 172 K HA 0.229 4.590 4.320 0.069 0.000 0.289 172 K C -1.652 174.912 176.600 -0.061 0.000 1.028 172 K CA -1.184 55.113 56.287 0.017 0.000 0.895 172 K CB 2.550 35.051 32.500 0.002 0.000 1.534 172 K HN -0.585 7.650 8.250 -0.025 0.000 0.421 173 R N -0.525 119.963 120.500 -0.020 0.000 2.571 173 R HA 0.068 4.083 4.340 -0.542 0.000 0.259 173 R C -1.310 174.808 176.300 -0.304 0.000 1.226 173 R CA -0.634 55.366 56.100 -0.167 0.000 1.157 173 R CB 0.781 31.182 30.300 0.169 0.000 1.220 173 R HN 0.146 8.450 8.270 0.056 0.000 0.605 174 L N -0.800 120.134 121.223 -0.481 0.000 2.282 174 L HA 0.502 4.801 4.340 -0.354 -0.171 0.288 174 L C -0.720 176.145 176.870 -0.008 0.000 1.033 174 L CA -0.704 53.850 54.840 -0.478 0.000 0.807 174 L CB 0.507 41.846 42.059 -1.199 0.000 1.209 174 L HN 0.210 8.118 8.230 -0.536 0.000 0.423 175 E N -0.450 119.791 120.200 0.068 0.000 2.212 175 E HA 0.445 5.008 4.350 0.356 0.000 0.268 175 E C -1.356 175.429 176.600 0.307 0.000 0.902 175 E CA -2.744 53.798 56.400 0.237 0.000 0.779 175 E CB 2.969 32.773 29.700 0.174 0.000 1.172 175 E HN 0.763 9.106 8.360 -0.028 0.000 0.409 176 W N 5.011 126.448 121.300 0.228 0.000 2.181 176 W HA -0.192 4.554 4.660 0.143 0.000 0.335 176 W C -0.745 175.848 176.519 0.123 0.000 1.310 176 W CA 1.465 58.929 57.345 0.197 0.000 1.226 176 W CB 0.385 30.026 29.460 0.303 0.000 1.155 176 W HN 0.568 9.127 8.180 0.632 0.000 0.565 177 V N 5.987 125.721 119.914 -0.300 0.000 3.013 177 V HA -0.011 3.969 4.120 -0.234 0.000 0.238 177 V C -1.241 174.461 176.094 -0.653 0.000 1.161 177 V CA 0.418 62.483 62.300 -0.392 0.000 1.170 177 V CB 1.244 32.867 31.823 -0.335 0.000 0.917 177 V HN 0.705 8.580 8.190 -0.376 0.089 0.478 178 A N -4.903 117.294 122.820 -1.038 0.000 2.490 178 A HA 0.248 3.681 4.320 -1.478 0.000 0.292 178 A C -3.345 173.792 177.584 -0.745 0.000 1.047 178 A CA -0.075 51.297 52.037 -1.108 0.000 0.632 178 A CB 2.246 20.804 19.000 -0.737 0.000 1.323 178 A HN -0.734 6.736 8.150 -1.133 0.000 0.448 179 Y N 0.227 120.167 120.300 -0.601 0.000 2.376 179 Y HA 0.295 4.859 4.550 0.024 0.000 0.340 179 Y C -2.075 173.791 175.900 -0.057 0.000 0.965 179 Y CA -1.059 56.975 58.100 -0.110 0.000 1.078 179 Y CB 3.720 42.226 38.460 0.076 0.000 1.193 179 Y HN -0.250 7.637 8.280 -0.656 0.000 0.452 180 I N 8.780 129.035 120.570 -0.524 0.000 2.460 180 I HA 0.334 4.434 4.170 -0.117 0.000 0.277 180 I C -1.868 173.929 176.117 -0.532 0.000 1.057 180 I CA -2.279 58.831 61.300 -0.316 0.000 1.179 180 I CB 1.771 39.744 38.000 -0.045 0.000 1.329 180 I HN 0.150 7.953 8.210 -0.678 0.000 0.478 181 S N 9.178 124.659 115.700 -0.365 0.000 2.558 181 S HA -0.086 4.535 4.470 -0.329 -0.348 0.288 181 S C 1.406 175.939 174.600 -0.111 0.000 1.318 181 S CA 0.723 58.833 58.200 -0.151 0.000 1.056 181 S CB 0.704 64.046 63.200 0.236 0.000 0.853 181 S HN 0.550 8.803 8.310 -0.096 0.000 0.505 182 S N 3.868 119.504 115.700 -0.107 0.000 2.453 182 S HA -0.109 4.258 4.470 -0.171 0.000 0.231 182 S C 1.159 175.740 174.600 -0.032 0.000 1.005 182 S CA 2.336 60.470 58.200 -0.110 0.000 0.949 182 S CB -0.245 62.885 63.200 -0.117 0.000 0.774 182 S HN 0.668 9.305 8.310 -0.089 -0.381 0.510 183 G N 0.351 109.160 108.800 0.014 0.000 2.417 183 G HA2 -0.030 3.946 3.960 0.027 0.000 0.212 183 G HA3 -0.030 3.960 3.960 0.050 0.000 0.212 183 G C -0.771 174.160 174.900 0.052 0.000 1.187 183 G CA 0.253 45.376 45.100 0.037 0.000 0.804 183 G HN 0.122 8.387 8.290 0.030 0.043 0.534 184 G N -0.485 108.359 108.800 0.072 0.000 3.035 184 G HA2 -0.189 3.826 3.960 0.091 0.000 0.214 184 G HA3 -0.189 3.814 3.960 0.072 0.000 0.214 184 G C -0.788 174.166 174.900 0.091 0.000 1.063 184 G CA -0.387 44.762 45.100 0.082 0.000 1.109 184 G HN -0.504 7.838 8.290 0.087 0.000 0.563 185 G N 0.021 108.892 108.800 0.118 0.000 4.170 185 G HA2 -0.056 3.959 3.960 0.092 0.000 0.143 185 G HA3 -0.056 3.958 3.960 0.089 0.000 0.143 185 G C -1.609 173.371 174.900 0.134 0.000 1.261 185 G CA 0.631 45.795 45.100 0.107 0.000 1.043 185 G HN -0.397 7.980 8.290 0.146 0.000 0.382 186 S N 5.703 121.501 115.700 0.163 0.000 2.589 186 S HA -0.045 4.460 4.470 0.059 0.000 0.306 186 S C -1.133 173.647 174.600 0.300 0.000 1.221 186 S CA 1.141 59.445 58.200 0.173 0.000 1.159 186 S CB 0.082 63.426 63.200 0.241 0.000 0.990 186 S HN 0.118 8.524 8.310 0.160 0.000 0.514 187 T N 6.502 121.175 114.554 0.199 0.000 2.929 187 T HA 0.329 4.912 4.350 0.388 0.000 0.331 187 T C -0.696 174.150 174.700 0.243 0.000 1.120 187 T CA -1.015 61.270 62.100 0.308 0.000 0.973 187 T CB 0.358 69.435 68.868 0.349 0.000 1.036 187 T HN 0.056 8.355 8.240 0.097 0.000 0.502 188 Y N 5.901 126.266 120.300 0.108 0.000 2.486 188 Y HA -0.050 4.579 4.550 0.133 0.000 0.348 188 Y C -1.335 174.466 175.900 -0.164 0.000 1.000 188 Y CA 0.023 58.164 58.100 0.070 0.000 1.253 188 Y CB 0.206 38.754 38.460 0.146 0.000 1.140 188 Y HN 0.255 8.954 8.280 0.699 0.000 0.526 189 F N 4.214 124.279 119.950 0.192 0.000 2.612 189 F HA 0.272 4.812 4.527 0.022 0.000 0.332 189 F C -2.120 173.775 175.800 0.158 0.000 1.167 189 F CA -3.010 55.056 58.000 0.111 0.000 0.970 189 F CB 2.967 42.016 39.000 0.081 0.000 1.234 189 F HN -0.048 8.438 8.300 0.311 0.000 0.453 190 P HA 0.054 4.669 4.420 0.326 0.000 0.269 190 P C -0.414 177.045 177.300 0.265 0.000 1.215 190 P CA -0.524 62.781 63.100 0.341 0.000 0.780 190 P CB 0.823 32.758 31.700 0.392 0.000 0.898 191 D N -0.516 120.001 120.400 0.196 0.000 2.221 191 D HA -0.290 4.424 4.640 0.124 0.000 0.204 191 D C 1.095 177.478 176.300 0.138 0.000 0.982 191 D CA 3.188 57.272 54.000 0.139 0.000 0.857 191 D CB -0.407 40.454 40.800 0.101 0.000 0.934 191 D HN 0.443 8.925 8.370 0.188 0.000 0.475 192 T N -2.225 112.431 114.554 0.170 0.000 2.708 192 T HA -0.246 4.182 4.350 0.130 0.000 0.266 192 T C 1.113 175.923 174.700 0.184 0.000 1.037 192 T CA 2.831 65.031 62.100 0.167 0.000 1.146 192 T CB -0.327 68.657 68.868 0.194 0.000 0.865 192 T HN -0.045 8.282 8.240 0.193 0.029 0.435 193 V N -5.037 115.031 119.914 0.256 0.000 3.621 193 V HA 0.196 4.474 4.120 0.263 0.000 0.285 193 V C -0.502 175.734 176.094 0.236 0.000 1.346 193 V CA -1.166 61.333 62.300 0.332 0.000 1.104 193 V CB -0.231 31.928 31.823 0.559 0.000 0.913 193 V HN -0.834 7.522 8.190 0.278 0.000 0.432 194 K N 2.729 123.231 120.400 0.170 0.000 2.473 194 K HA -0.334 3.972 4.320 -0.023 0.000 0.277 194 K C 0.967 177.503 176.600 -0.107 0.000 1.052 194 K CA 2.101 58.404 56.287 0.027 0.000 1.114 194 K CB -0.224 32.312 32.500 0.060 0.000 0.869 194 K HN -0.305 7.901 8.250 0.197 0.162 0.481 195 G N 5.979 114.616 108.800 -0.272 0.000 2.320 195 G HA2 -0.322 3.468 3.960 -0.284 0.000 0.242 195 G HA3 -0.322 3.533 3.960 -0.174 0.000 0.242 195 G C 0.051 174.790 174.900 -0.268 0.000 1.033 195 G CA 0.638 45.589 45.100 -0.250 0.000 0.620 195 G HN 0.701 8.709 8.290 -0.470 0.000 0.517 196 R N 0.443 120.770 120.500 -0.289 0.000 2.093 196 R HA 0.003 4.098 4.340 -0.409 0.000 0.224 196 R C -0.944 174.943 176.300 -0.688 0.000 1.101 196 R CA 2.407 58.203 56.100 -0.507 0.000 0.979 196 R CB 1.534 31.453 30.300 -0.636 0.000 0.877 196 R HN -0.359 7.587 8.270 -0.203 0.202 0.441 197 F N -5.934 113.950 119.950 -0.109 0.000 2.579 197 F HA 0.890 5.538 4.527 -0.081 -0.169 0.324 197 F C -0.870 174.845 175.800 -0.143 0.000 1.058 197 F CA -1.668 56.300 58.000 -0.054 0.000 0.944 197 F CB 3.645 42.714 39.000 0.115 0.000 1.245 197 F HN -0.856 7.372 8.300 -0.121 0.000 0.477 198 T N 0.890 115.556 114.554 0.187 0.000 3.032 198 T HA 0.279 4.748 4.350 0.199 0.000 0.312 198 T C -1.882 172.934 174.700 0.194 0.000 1.078 198 T CA -0.274 61.917 62.100 0.151 0.000 1.028 198 T CB 2.538 71.407 68.868 0.002 0.000 1.091 198 T HN 0.462 8.828 8.240 0.209 0.000 0.457 199 I N 1.744 122.477 120.570 0.272 0.000 2.607 199 I HA 1.029 5.405 4.170 0.101 -0.145 0.305 199 I C -1.910 174.313 176.117 0.177 0.000 0.995 199 I CA -3.127 58.280 61.300 0.179 0.000 1.148 199 I CB 2.478 40.584 38.000 0.176 0.000 1.323 199 I HN 0.198 8.649 8.210 0.402 0.000 0.461 200 S N 3.030 118.851 115.700 0.202 0.000 2.541 200 S HA 0.420 4.997 4.470 0.178 0.000 0.271 200 S C -2.332 172.443 174.600 0.293 0.000 1.133 200 S CA -0.880 57.453 58.200 0.220 0.000 0.876 200 S CB 3.069 66.386 63.200 0.196 0.000 1.105 200 S HN 0.499 8.942 8.310 0.221 0.000 0.470 201 R N 1.279 121.938 120.500 0.265 0.000 2.686 201 R HA 0.491 5.024 4.340 0.322 0.000 0.286 201 R C -1.441 175.050 176.300 0.320 0.000 0.969 201 R CA -1.313 54.968 56.100 0.302 0.000 0.898 201 R CB 3.264 33.701 30.300 0.229 0.000 1.183 201 R HN 0.274 8.673 8.270 0.216 0.000 0.456 202 D N 2.776 123.363 120.400 0.311 0.000 2.440 202 D HA 0.278 5.041 4.640 0.205 0.000 0.239 202 D C -0.801 175.527 176.300 0.046 0.000 1.084 202 D CA -0.934 53.184 54.000 0.198 0.000 0.843 202 D CB 2.627 43.558 40.800 0.219 0.000 1.097 202 D HN 0.226 8.770 8.370 0.290 0.000 0.531 203 N N 5.024 123.798 118.700 0.124 0.000 2.461 203 N HA -0.162 4.486 4.740 -0.154 0.000 0.188 203 N C -0.134 175.305 175.510 -0.119 0.000 1.134 203 N CA 0.940 54.017 53.050 0.046 0.000 0.878 203 N CB -0.178 38.448 38.487 0.231 0.000 0.972 203 N HN 0.428 8.905 8.380 0.161 0.000 0.456 204 A N -0.975 121.791 122.820 -0.090 0.000 1.956 204 A HA 0.001 4.274 4.320 -0.079 0.000 0.212 204 A C 0.916 178.416 177.584 -0.139 0.000 1.188 204 A CA 1.508 53.494 52.037 -0.085 0.000 0.675 204 A CB 0.626 19.609 19.000 -0.028 0.000 0.845 204 A HN -0.065 8.238 8.150 -0.040 -0.177 0.455 205 K N -3.177 117.127 120.400 -0.160 0.000 2.374 205 K HA 0.086 4.321 4.320 -0.141 0.000 0.196 205 K C -0.473 175.930 176.600 -0.329 0.000 1.023 205 K CA -0.372 55.810 56.287 -0.175 0.000 1.103 205 K CB 0.558 33.011 32.500 -0.078 0.000 0.848 205 K HN -0.221 8.290 8.250 -0.125 -0.337 0.528 206 N N -3.338 115.006 118.700 -0.595 0.000 2.714 206 N HA -0.310 3.203 4.740 -2.111 -0.040 0.253 206 N C -1.663 173.410 175.510 -0.729 0.000 1.024 206 N CA 1.088 53.503 53.050 -1.060 0.000 0.726 206 N CB -2.014 36.063 38.487 -0.683 0.000 0.908 206 N HN -0.405 7.575 8.380 -0.561 0.064 0.542 207 T N -2.156 112.075 114.554 -0.539 0.000 2.900 207 T HA 0.889 5.334 4.350 -0.150 -0.185 0.303 207 T C -2.213 172.405 174.700 -0.136 0.000 1.142 207 T CA -1.180 60.756 62.100 -0.274 0.000 1.007 207 T CB 3.380 72.030 68.868 -0.364 0.000 1.156 207 T HN -0.458 7.444 8.240 -0.564 0.000 0.490 208 L N 4.102 125.300 121.223 -0.040 0.000 2.317 208 L HA 0.435 4.976 4.340 0.175 -0.097 0.281 208 L C -1.313 175.553 176.870 -0.007 0.000 1.024 208 L CA -0.848 54.066 54.840 0.124 0.000 0.810 208 L CB 1.727 43.992 42.059 0.344 0.000 1.240 208 L HN 0.594 8.708 8.230 -0.016 0.107 0.427 209 Y N 1.279 121.708 120.300 0.215 0.000 2.334 209 Y HA 0.428 5.186 4.550 0.072 -0.164 0.336 209 Y C -1.355 174.532 175.900 -0.023 0.000 0.960 209 Y CA -1.327 56.824 58.100 0.085 0.000 1.164 209 Y CB 1.660 40.151 38.460 0.052 0.000 1.155 209 Y HN 1.110 9.459 8.280 0.294 0.107 0.478 210 L N 4.812 125.988 121.223 -0.078 0.000 2.277 210 L HA 0.502 4.806 4.340 -0.253 -0.115 0.284 210 L C -1.991 174.774 176.870 -0.174 0.000 1.028 210 L CA -1.384 53.245 54.840 -0.351 0.000 0.835 210 L CB 2.370 43.781 42.059 -1.080 0.000 1.215 210 L HN 1.110 9.187 8.230 -0.071 0.110 0.425 211 Q N 8.327 128.092 119.800 -0.058 0.000 2.314 211 Q HA 0.258 4.566 4.340 -0.053 0.000 0.257 211 Q C -1.251 174.749 176.000 0.001 0.000 0.975 211 Q CA -1.048 54.735 55.803 -0.034 0.000 0.933 211 Q CB 1.046 29.769 28.738 -0.025 0.000 1.195 211 Q HN 0.984 9.240 8.270 -0.023 0.000 0.426 212 M N 8.529 128.112 119.600 -0.029 0.000 2.066 212 M HA 0.394 4.865 4.480 -0.015 0.000 0.340 212 M C -1.429 174.785 176.300 -0.143 0.000 1.053 212 M CA -0.442 54.835 55.300 -0.038 0.000 0.983 212 M CB 0.724 33.335 32.600 0.018 0.000 1.520 212 M HN 0.734 8.985 8.290 -0.065 0.000 0.428 213 N N 2.520 121.086 118.700 -0.224 0.000 2.362 213 N HA 0.381 5.035 4.740 -0.142 0.000 0.299 213 N C -0.268 175.109 175.510 -0.223 0.000 1.170 213 N CA -1.238 51.700 53.050 -0.187 0.000 0.825 213 N CB 2.600 40.994 38.487 -0.154 0.000 1.299 213 N HN 0.108 8.303 8.380 -0.308 0.000 0.502 214 S N -5.282 110.325 115.700 -0.155 0.000 3.550 214 S HA -0.508 3.903 4.470 -0.099 0.000 0.372 214 S C -0.493 174.018 174.600 -0.148 0.000 0.966 214 S CA 0.910 59.029 58.200 -0.134 0.000 1.229 214 S CB -2.153 60.968 63.200 -0.131 0.000 0.917 214 S HN 0.478 8.713 8.310 -0.125 0.000 0.496 215 L N -0.215 120.932 121.223 -0.127 0.000 2.456 215 L HA -0.139 4.117 4.340 -0.141 0.000 0.272 215 L C 0.426 177.271 176.870 -0.041 0.000 1.189 215 L CA 0.788 55.572 54.840 -0.093 0.000 0.846 215 L CB 0.204 42.232 42.059 -0.051 0.000 1.111 215 L HN -0.883 7.280 8.230 -0.112 0.000 0.475 216 R N 3.255 123.747 120.500 -0.012 0.000 2.875 216 R HA 0.219 4.560 4.340 0.003 0.000 0.251 216 R C 1.104 177.428 176.300 0.041 0.000 1.123 216 R CA -1.242 54.865 56.100 0.012 0.000 1.064 216 R CB 1.317 31.626 30.300 0.014 0.000 1.205 216 R HN 0.670 9.360 8.270 -0.005 -0.424 0.503 217 A N 0.726 123.570 122.820 0.041 0.000 2.015 217 A HA -0.141 4.209 4.320 0.051 0.000 0.219 217 A C 1.458 179.080 177.584 0.064 0.000 1.163 217 A CA 2.671 54.737 52.037 0.050 0.000 0.646 217 A CB -0.155 18.870 19.000 0.041 0.000 0.806 217 A HN 0.620 8.789 8.150 0.033 0.000 0.448 218 E N -5.954 114.287 120.200 0.069 0.000 2.478 218 E HA -0.211 4.183 4.350 0.073 0.000 0.198 218 E C 0.017 176.686 176.600 0.115 0.000 1.046 218 E CA 1.370 57.820 56.400 0.082 0.000 0.870 218 E CB -0.977 28.770 29.700 0.079 0.000 0.818 218 E HN 0.320 8.688 8.360 0.059 0.028 0.527 219 D N -1.689 118.794 120.400 0.139 0.000 2.350 219 D HA 0.187 4.983 4.640 0.260 0.000 0.213 219 D C -0.213 176.227 176.300 0.233 0.000 1.031 219 D CA 0.738 54.875 54.000 0.229 0.000 0.861 219 D CB 0.937 41.891 40.800 0.257 0.000 0.926 219 D HN -0.478 7.759 8.370 0.111 0.200 0.520 220 T N 3.930 118.573 114.554 0.148 0.000 2.793 220 T HA -0.201 4.380 4.350 0.152 -0.139 0.289 220 T C -1.033 173.728 174.700 0.103 0.000 0.956 220 T CA 3.041 65.217 62.100 0.126 0.000 1.177 220 T CB -0.406 68.509 68.868 0.078 0.000 0.897 220 T HN -0.675 7.473 8.240 0.117 0.162 0.533 221 A N 5.197 128.093 122.820 0.126 0.000 2.410 221 A HA 0.237 4.561 4.320 0.007 0.000 0.300 221 A C -3.031 174.573 177.584 0.034 0.000 1.077 221 A CA -0.233 51.816 52.037 0.019 0.000 0.610 221 A CB 2.132 21.067 19.000 -0.108 0.000 1.371 221 A HN -0.038 8.233 8.150 0.202 0.000 0.510 222 V N -1.443 118.415 119.914 -0.093 0.000 2.472 222 V HA 0.350 4.617 4.120 -0.022 -0.160 0.290 222 V C -0.937 174.985 176.094 -0.287 0.000 1.037 222 V CA -1.135 61.072 62.300 -0.155 0.000 0.908 222 V CB 1.637 33.283 31.823 -0.294 0.000 0.985 222 V HN -0.111 7.893 8.190 -0.109 0.121 0.454 223 Y N 5.269 125.428 120.300 -0.235 0.000 2.342 223 Y HA 0.273 4.973 4.550 0.052 -0.118 0.338 223 Y C -0.422 175.418 175.900 -0.100 0.000 0.965 223 Y CA -1.430 56.637 58.100 -0.054 0.000 1.159 223 Y CB 0.893 39.379 38.460 0.044 0.000 1.157 223 Y HN 0.647 8.860 8.280 0.079 0.114 0.486 224 Y N 2.318 122.729 120.300 0.185 0.000 2.387 224 Y HA 0.506 5.282 4.550 0.100 -0.166 0.336 224 Y C -0.298 175.548 175.900 -0.089 0.000 1.067 224 Y CA -1.648 56.514 58.100 0.102 0.000 1.114 224 Y CB 2.841 41.410 38.460 0.181 0.000 1.208 224 Y HN 0.846 9.351 8.280 0.375 0.000 0.458 225 c N 2.923 121.463 118.600 -0.099 0.000 2.566 225 c HA -0.049 3.883 4.570 -1.063 0.000 0.393 225 c C -1.287 172.493 174.090 -0.517 0.000 1.309 225 c CA 0.100 56.111 56.329 -0.530 0.000 1.801 225 c CB 0.672 42.959 42.510 -0.373 0.000 2.493 225 c HN 0.738 9.418 8.230 0.033 -0.430 0.575 226 A N 8.053 130.417 122.820 -0.760 0.000 2.337 226 A HA 0.844 4.709 4.320 -1.004 -0.148 0.329 226 A C -2.202 175.091 177.584 -0.485 0.000 1.146 226 A CA -1.860 49.644 52.037 -0.888 0.000 0.800 226 A CB 3.245 21.372 19.000 -1.456 0.000 1.220 226 A HN 0.424 8.032 8.150 -0.904 0.000 0.472 227 R N 1.580 121.902 120.500 -0.297 0.000 2.686 227 R HA 0.448 4.718 4.340 -0.117 0.000 0.283 227 R C -1.485 174.837 176.300 0.036 0.000 0.978 227 R CA -1.193 54.833 56.100 -0.123 0.000 0.897 227 R CB 3.938 34.110 30.300 -0.214 0.000 1.192 227 R HN -0.126 7.915 8.270 -0.380 0.000 0.457 228 Q N 4.605 124.454 119.800 0.081 0.000 2.394 228 Q HA 0.546 5.222 4.340 0.161 -0.240 0.166 228 Q C 0.026 176.152 176.000 0.210 0.000 1.037 228 Q CA -0.275 55.602 55.803 0.123 0.000 1.023 228 Q CB 1.562 30.313 28.738 0.021 0.000 2.067 228 Q HN 0.786 9.088 8.270 0.053 0.000 0.502 229 N N -5.505 113.308 118.700 0.188 0.000 1.855 229 N HA -0.004 4.857 4.740 0.202 0.000 0.227 229 N C -0.638 174.900 175.510 0.047 0.000 1.470 229 N CA 0.663 53.833 53.050 0.201 0.000 0.703 229 N CB 0.654 39.304 38.487 0.272 0.000 1.030 229 N HN 0.328 8.762 8.380 0.091 0.000 0.600 230 K N -0.177 120.226 120.400 0.005 0.000 1.893 230 K HA 0.283 4.563 4.320 -0.066 0.000 0.252 230 K C -1.508 174.958 176.600 -0.223 0.000 0.877 230 K CA -1.565 54.670 56.287 -0.086 0.000 0.735 230 K CB 1.245 33.742 32.500 -0.004 0.000 1.814 230 K HN -0.206 8.025 8.250 -0.030 0.000 0.602 231 K N -0.512 119.722 120.400 -0.276 0.000 2.353 231 K HA 0.039 4.233 4.320 -0.211 0.000 0.195 231 K C -0.179 176.181 176.600 -0.400 0.000 1.031 231 K CA 0.169 56.299 56.287 -0.261 0.000 1.079 231 K CB 0.435 32.836 32.500 -0.164 0.000 0.857 231 K HN -0.004 8.087 8.250 -0.265 0.000 0.535 232 L N -2.028 118.773 121.223 -0.704 0.000 2.375 232 L HA 0.166 4.171 4.340 -0.559 0.000 0.268 232 L C -0.109 176.163 176.870 -0.996 0.000 1.058 232 L CA -0.959 53.343 54.840 -0.898 0.000 0.803 232 L CB 1.624 42.890 42.059 -1.323 0.000 1.212 232 L HN -0.557 7.128 8.230 -0.814 0.057 0.451 233 T N 3.718 117.820 114.554 -0.753 0.000 3.455 233 T HA -0.074 3.889 4.350 -0.645 0.000 0.286 233 T C -0.972 173.241 174.700 -0.811 0.000 1.157 233 T CA -0.268 61.401 62.100 -0.718 0.000 1.090 233 T CB -1.267 67.171 68.868 -0.718 0.000 1.112 233 T HN 0.093 8.001 8.240 -0.554 0.000 0.779 234 W N 3.898 124.702 121.300 -0.827 0.000 3.107 234 W HA 0.285 4.242 4.660 -1.172 0.000 0.331 234 W C -3.159 172.894 176.519 -0.777 0.000 1.204 234 W CA -3.892 52.897 57.345 -0.927 0.000 1.184 234 W CB 0.577 29.582 29.460 -0.757 0.000 1.421 234 W HN -0.530 7.210 8.180 -0.733 0.000 0.544 235 F N -0.047 120.060 119.950 0.262 0.000 2.427 235 F HA 0.828 5.580 4.527 -0.051 -0.255 0.346 235 F C 0.373 176.268 175.800 0.159 0.000 1.120 235 F CA -2.260 55.755 58.000 0.025 0.000 1.033 235 F CB 1.719 40.453 39.000 -0.445 0.000 1.126 235 F HN 0.169 8.399 8.300 -0.117 0.000 0.462 236 D N 0.855 121.354 120.400 0.166 0.000 2.417 236 D HA 0.027 4.762 4.640 0.159 0.000 0.207 236 D C -1.214 175.217 176.300 0.220 0.000 1.075 236 D CA -0.367 53.705 54.000 0.121 0.000 0.851 236 D CB 1.880 42.648 40.800 -0.055 0.000 0.976 236 D HN 0.511 8.948 8.370 0.112 0.000 0.505 237 Y N -0.249 120.030 120.300 -0.035 0.000 2.396 237 Y HA 0.172 4.796 4.550 0.124 0.000 0.332 237 Y C -2.769 173.039 175.900 -0.154 0.000 1.034 237 Y CA 0.190 58.266 58.100 -0.041 0.000 1.057 237 Y CB 2.644 40.983 38.460 -0.200 0.000 1.220 237 Y HN -1.105 7.192 8.280 0.028 0.000 0.440 238 W N 5.219 126.199 121.300 -0.533 0.000 2.606 238 W HA 0.777 5.512 4.660 -0.248 -0.223 0.332 238 W C 0.002 176.255 176.519 -0.444 0.000 1.052 238 W CA -1.760 55.353 57.345 -0.386 0.000 1.223 238 W CB 2.340 31.590 29.460 -0.350 0.000 1.383 238 W HN 0.131 8.110 8.180 -0.335 0.000 0.524 239 G N 0.553 109.376 108.800 0.038 0.000 2.525 239 G HA2 0.046 4.114 3.960 0.044 0.000 0.276 239 G HA3 0.046 4.339 3.960 0.074 -0.289 0.276 239 G C -1.722 173.259 174.900 0.135 0.000 1.388 239 G CA -0.553 44.587 45.100 0.066 0.000 1.050 239 G HN 0.162 8.382 8.290 0.052 0.101 0.520 240 Q N 0.372 120.233 119.800 0.102 0.000 2.269 240 Q HA -0.133 4.268 4.340 0.102 0.000 0.201 240 Q C 0.233 176.255 176.000 0.036 0.000 0.946 240 Q CA 0.601 56.456 55.803 0.087 0.000 0.877 240 Q CB 1.350 30.114 28.738 0.045 0.000 0.963 240 Q HN -0.137 8.461 8.270 0.081 -0.280 0.472 241 G N -0.930 107.826 108.800 -0.073 0.000 3.039 241 G HA2 -0.268 3.610 3.960 -0.436 0.000 0.686 241 G HA3 -0.268 3.099 3.960 -0.988 0.000 0.686 241 G C -1.063 173.698 174.900 -0.231 0.000 1.066 241 G CA -0.563 44.268 45.100 -0.448 0.000 0.774 241 G HN -0.731 8.068 8.290 0.015 -0.500 0.591 242 T N 3.677 118.149 114.554 -0.137 0.000 2.779 242 T HA 0.239 4.560 4.350 -0.048 0.000 0.280 242 T C -0.636 174.054 174.700 -0.016 0.000 0.987 242 T CA -0.796 61.280 62.100 -0.040 0.000 0.966 242 T CB 1.667 70.548 68.868 0.023 0.000 0.933 242 T HN 0.502 8.560 8.240 -0.113 0.114 0.442 243 L N 8.404 129.614 121.223 -0.022 0.000 2.319 243 L HA 0.110 4.461 4.340 0.018 0.000 0.280 243 L C -1.615 175.275 176.870 0.033 0.000 1.099 243 L CA 0.213 55.057 54.840 0.007 0.000 0.828 243 L CB 0.880 42.932 42.059 -0.012 0.000 1.150 243 L HN 0.652 8.863 8.230 -0.032 0.000 0.442 244 V N 8.061 128.025 119.914 0.083 0.000 2.409 244 V HA 0.365 4.642 4.120 0.017 -0.147 0.291 244 V C -1.216 174.922 176.094 0.074 0.000 1.020 244 V CA -1.307 61.029 62.300 0.060 0.000 0.848 244 V CB 1.939 33.783 31.823 0.035 0.000 0.990 244 V HN 0.410 8.681 8.190 0.135 0.000 0.430 245 T N 8.458 123.038 114.554 0.043 0.000 2.841 245 T HA 0.384 4.767 4.350 0.055 0.000 0.285 245 T C -1.654 173.070 174.700 0.041 0.000 0.991 245 T CA -0.892 61.234 62.100 0.043 0.000 0.966 245 T CB 0.732 69.614 68.868 0.024 0.000 0.962 245 T HN 0.736 8.993 8.240 0.028 0.000 0.438 246 V N 3.423 123.365 119.914 0.046 0.000 2.328 246 V HA 1.011 5.425 4.120 0.039 -0.270 0.278 246 V C -0.943 175.177 176.094 0.044 0.000 1.021 246 V CA -1.745 60.580 62.300 0.042 0.000 0.838 246 V CB 0.421 32.268 31.823 0.040 0.000 0.999 246 V HN -0.200 8.022 8.190 0.054 0.000 0.447 247 S N 6.753 122.484 115.700 0.053 0.000 2.688 247 S HA 0.431 4.931 4.470 0.049 0.000 0.275 247 S C -1.873 172.780 174.600 0.087 0.000 1.175 247 S CA -1.223 57.010 58.200 0.056 0.000 0.818 247 S CB 3.900 67.120 63.200 0.034 0.000 1.157 247 S HN 0.530 8.877 8.310 0.063 0.000 0.482 248 S N 0.380 116.136 115.700 0.093 0.000 2.525 248 S HA 0.169 4.856 4.470 0.135 -0.137 0.290 248 S C 0.456 175.145 174.600 0.148 0.000 1.152 248 S CA -1.689 56.591 58.200 0.133 0.000 1.072 248 S CB 0.670 63.961 63.200 0.152 0.000 1.027 248 S HN 0.195 8.548 8.310 0.072 0.000 0.500 249 H N 5.461 124.506 119.070 -0.041 0.000 2.555 249 H HA -0.031 4.532 4.556 0.012 0.000 0.269 249 H C -0.209 175.087 175.328 -0.053 0.000 0.988 249 H CA 0.984 56.998 56.048 -0.057 0.000 1.178 249 H CB 0.743 30.424 29.762 -0.134 0.000 1.373 249 H HN 0.405 9.190 8.280 0.179 -0.397 0.588 250 H N 0.762 119.898 119.070 0.111 0.000 3.015 250 H HA -0.152 4.370 4.556 -0.057 0.000 0.268 250 H C -1.057 174.238 175.328 -0.054 0.000 1.113 250 H CA 0.652 56.691 56.048 -0.015 0.000 1.479 250 H CB -0.530 29.210 29.762 -0.037 0.000 1.493 250 H HN -0.842 7.439 8.280 0.130 0.077 0.486 251 H N 1.978 120.986 119.070 -0.103 0.000 3.016 251 H HA 0.320 4.709 4.556 -0.279 0.000 0.362 251 H C -1.128 174.053 175.328 -0.244 0.000 1.233 251 H CA -1.045 54.883 56.048 -0.201 0.000 1.124 251 H CB 1.070 30.773 29.762 -0.099 0.000 1.850 251 H HN 0.183 8.303 8.280 -0.266 0.000 0.549 252 H N -0.757 118.384 119.070 0.119 0.000 2.580 252 H HA 0.113 4.668 4.556 -0.002 0.000 0.324 252 H C -0.813 174.632 175.328 0.194 0.000 1.436 252 H CA -0.993 55.106 56.048 0.086 0.000 1.464 252 H CB 1.389 31.213 29.762 0.103 0.000 1.752 252 H HN 0.270 8.585 8.280 0.058 0.000 0.726 253 H N 0.090 119.305 119.070 0.243 0.000 2.548 253 H HA 0.075 4.777 4.556 0.242 0.000 0.331 253 H C -0.228 175.226 175.328 0.211 0.000 1.093 253 H CA 0.156 56.326 56.048 0.203 0.000 1.367 253 H CB 0.242 30.076 29.762 0.121 0.000 1.455 253 H HN 0.094 8.615 8.280 0.402 0.000 0.519 254 H N 0.000 119.088 119.070 0.031 0.000 2.539 254 H HA 0.000 4.620 4.556 0.106 0.000 0.296 254 H CA 0.000 56.103 56.048 0.092 0.000 1.023 254 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 254 H HN 0.000 8.190 8.280 -0.150 0.000 0.496