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 2hhi_1_A DATA FIRST_RESID 3 DATA SEQUENCE PKTYcEELKG TDTGQAcQIQ MSDPAYNINI SLPSYYPDQK SLENYIAQTR DATA SEQUENCE DKFLSAATSS TPREAPYELN ITSATYQSAI PPRGTQAVVL KVYQNAGGTH DATA SEQUENCE PTTTYKAFDW DQAYRKPITY DTLWQADTDP LPVVFPIVQG ELSKQTGQQV DATA SEQUENCE SIAPNAGLDP VNYQNFAVTN DGVIFFFNPG ELLPEAAGPT QVLVPRSAID DATA SEQUENCE SMLA 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 3 P HA 0.000 4.504 4.420 0.140 0.000 0.216 3 P C 0.000 177.291 177.300 -0.015 0.000 1.155 3 P CA 0.000 63.134 63.100 0.057 0.000 0.800 3 P CB 0.000 31.728 31.700 0.046 0.000 0.726 4 K N -2.156 118.229 120.400 -0.025 0.000 2.373 4 K HA 0.396 4.769 4.320 -0.137 -0.135 0.274 4 K C -0.791 175.767 176.600 -0.070 0.000 1.024 4 K CA -1.239 54.994 56.287 -0.090 0.000 0.867 4 K CB 3.308 35.743 32.500 -0.108 0.000 1.524 4 K HN -0.471 7.780 8.250 0.002 0.000 0.406 5 T N -1.984 112.495 114.554 -0.126 0.000 2.626 5 T HA 0.241 4.591 4.350 -0.000 0.000 0.240 5 T C 0.429 175.076 174.700 -0.089 0.000 0.943 5 T CA -1.163 60.906 62.100 -0.053 0.000 1.268 5 T CB 1.659 70.546 68.868 0.030 0.000 1.702 5 T HN 0.021 8.136 8.240 -0.209 0.000 0.442 6 Y N 0.229 120.520 120.300 -0.014 0.000 2.030 6 Y HA -0.405 4.147 4.550 0.004 0.000 0.274 6 Y C 1.314 177.209 175.900 -0.009 0.000 1.153 6 Y CA 2.322 60.421 58.100 -0.002 0.000 1.115 6 Y CB -2.527 35.939 38.460 0.010 0.000 0.969 6 Y HN 0.115 8.623 8.280 0.381 0.000 0.488 7 c N 1.342 119.046 118.600 -1.493 0.000 2.393 7 c HA -0.510 3.699 4.570 -0.601 0.000 0.275 7 c C 1.572 175.447 174.090 -0.359 0.000 1.170 7 c CA 2.393 58.166 56.329 -0.926 0.000 1.827 7 c CB -1.690 40.222 42.510 -0.996 0.000 2.131 7 c HN 0.271 6.421 8.230 -3.466 0.000 0.474 8 E N 0.747 120.772 120.200 -0.292 0.000 2.038 8 E HA -0.354 3.904 4.350 -0.154 0.000 0.195 8 E C 1.551 178.096 176.600 -0.090 0.000 1.000 8 E CA 2.832 59.138 56.400 -0.157 0.000 0.803 8 E CB -0.200 29.429 29.700 -0.118 0.000 0.750 8 E HN -0.547 7.570 8.360 -0.354 0.030 0.448 9 E N -3.789 116.376 120.200 -0.059 0.000 2.478 9 E HA -0.005 4.335 4.350 -0.016 0.000 0.194 9 E C 1.236 177.843 176.600 0.011 0.000 1.045 9 E CA 0.516 56.907 56.400 -0.013 0.000 0.868 9 E CB 0.331 30.036 29.700 0.009 0.000 0.885 9 E HN -0.271 8.050 8.360 -0.064 0.000 0.505 10 L N -1.202 120.025 121.223 0.008 0.000 2.693 10 L HA -0.025 4.376 4.340 0.100 0.000 0.242 10 L C -0.388 176.508 176.870 0.043 0.000 1.157 10 L CA -0.063 54.822 54.840 0.075 0.000 0.929 10 L CB -1.137 41.040 42.059 0.196 0.000 1.103 10 L HN -0.288 7.772 8.230 -0.055 0.137 0.430 11 K N -6.944 113.462 120.400 0.009 0.000 3.392 11 K HA -0.259 4.061 4.320 -0.001 0.000 0.288 11 K C -0.097 176.491 176.600 -0.020 0.000 1.373 11 K CA -0.038 56.250 56.287 0.001 0.000 0.873 11 K CB -2.701 29.810 32.500 0.018 0.000 1.547 11 K HN -0.222 7.918 8.250 -0.007 0.106 0.491 12 G N -0.762 108.010 108.800 -0.047 0.000 2.341 12 G HA2 -0.227 3.866 3.960 -0.078 0.000 0.231 12 G HA3 -0.227 3.748 3.960 -0.099 -0.074 0.231 12 G C -0.370 174.497 174.900 -0.056 0.000 1.206 12 G CA 0.627 45.684 45.100 -0.072 0.000 0.865 12 G HN -0.411 7.794 8.290 -0.054 0.053 0.515 13 T N 3.618 118.136 114.554 -0.061 0.000 2.887 13 T HA 0.216 4.539 4.350 -0.045 0.000 0.288 13 T C -1.953 172.708 174.700 -0.065 0.000 1.021 13 T CA -0.214 61.855 62.100 -0.052 0.000 1.000 13 T CB 3.818 72.662 68.868 -0.040 0.000 1.034 13 T HN 0.531 8.606 8.240 -0.072 0.122 0.467 14 D N 2.212 122.578 120.400 -0.058 0.000 2.192 14 D HA 0.348 4.940 4.640 -0.079 0.000 0.246 14 D C -0.437 175.829 176.300 -0.056 0.000 1.042 14 D CA -0.939 53.022 54.000 -0.064 0.000 0.847 14 D CB 1.439 42.204 40.800 -0.058 0.000 1.186 14 D HN 0.181 8.522 8.370 -0.048 0.000 0.461 15 T N 2.779 117.295 114.554 -0.064 0.000 3.087 15 T HA 0.136 4.459 4.350 -0.046 0.000 0.283 15 T C -0.043 174.622 174.700 -0.058 0.000 0.956 15 T CA -1.098 60.970 62.100 -0.054 0.000 0.894 15 T CB 1.026 69.863 68.868 -0.052 0.000 1.160 15 T HN 0.175 8.369 8.240 -0.077 0.000 0.532 16 G N 1.851 110.610 108.800 -0.070 0.000 2.591 16 G HA2 -0.217 3.704 3.960 -0.065 0.000 0.226 16 G HA3 -0.217 3.707 3.960 -0.061 0.000 0.226 16 G C 0.227 175.071 174.900 -0.094 0.000 1.598 16 G CA -0.080 44.978 45.100 -0.071 0.000 1.349 16 G HN -0.358 7.887 8.290 -0.076 0.000 0.493 17 Q N 4.532 124.276 119.800 -0.095 0.000 2.414 17 Q HA 0.075 4.326 4.340 -0.148 0.000 0.286 17 Q C -1.565 174.348 176.000 -0.146 0.000 0.941 17 Q CA -0.586 55.142 55.803 -0.125 0.000 0.951 17 Q CB -1.067 27.609 28.738 -0.103 0.000 1.188 17 Q HN 0.299 8.523 8.270 -0.077 0.000 0.418 18 A N -2.930 119.802 122.820 -0.147 0.000 2.612 18 A HA 0.305 4.510 4.320 -0.192 0.000 0.293 18 A C -2.829 174.658 177.584 -0.162 0.000 1.075 18 A CA -0.094 51.851 52.037 -0.153 0.000 0.680 18 A CB 2.398 21.337 19.000 -0.102 0.000 1.279 18 A HN -0.585 7.374 8.150 -0.137 0.108 0.411 19 c N 1.991 120.483 118.600 -0.180 0.000 2.364 19 c HA 0.602 5.078 4.570 -0.157 0.000 0.324 19 c C -1.438 172.565 174.090 -0.145 0.000 1.234 19 c CA -2.064 54.155 56.329 -0.184 0.000 1.417 19 c CB 0.615 42.968 42.510 -0.262 0.000 2.101 19 c HN 0.433 8.492 8.230 -0.181 0.063 0.466 20 Q N 7.781 127.515 119.800 -0.110 0.000 2.365 20 Q HA 1.079 5.634 4.340 -0.054 -0.247 0.269 20 Q C -1.861 174.108 176.000 -0.052 0.000 1.061 20 Q CA -2.760 53.002 55.803 -0.068 0.000 0.816 20 Q CB 3.777 32.484 28.738 -0.052 0.000 1.325 20 Q HN 1.142 9.347 8.270 -0.109 0.000 0.446 21 I N 3.670 124.230 120.570 -0.016 0.000 2.420 21 I HA 0.400 4.563 4.170 -0.010 0.000 0.282 21 I C -2.624 173.497 176.117 0.008 0.000 1.019 21 I CA -2.302 59.001 61.300 0.004 0.000 1.130 21 I CB 1.933 39.964 38.000 0.052 0.000 1.262 21 I HN 0.960 9.052 8.210 -0.001 0.117 0.454 22 Q N 8.024 127.824 119.800 -0.001 0.000 2.327 22 Q HA 0.980 5.641 4.340 -0.000 -0.321 0.270 22 Q C -1.199 174.807 176.000 0.009 0.000 1.022 22 Q CA -2.066 53.737 55.803 -0.001 0.000 0.773 22 Q CB 1.915 30.646 28.738 -0.011 0.000 1.251 22 Q HN 0.357 8.623 8.270 -0.006 0.000 0.457 23 M N 5.227 124.840 119.600 0.022 0.000 2.413 23 M HA 0.385 4.882 4.480 0.029 0.000 0.287 23 M C -3.003 173.341 176.300 0.074 0.000 1.186 23 M CA -0.346 54.978 55.300 0.041 0.000 0.927 23 M CB 3.918 36.547 32.600 0.048 0.000 1.715 23 M HN 0.970 9.272 8.290 0.019 0.000 0.478 24 S N 1.925 117.674 115.700 0.081 0.000 2.536 24 S HA 0.523 5.136 4.470 0.238 0.000 0.287 24 S C -1.799 172.844 174.600 0.071 0.000 1.101 24 S CA -1.115 57.163 58.200 0.129 0.000 0.950 24 S CB 1.987 65.228 63.200 0.067 0.000 1.056 24 S HN -0.053 8.288 8.310 0.051 0.000 0.481 25 D N 4.870 125.274 120.400 0.007 0.000 2.437 25 D HA 0.373 4.902 4.640 -0.185 0.000 0.259 25 D C -1.568 174.503 176.300 -0.382 0.000 1.118 25 D CA -2.525 51.265 54.000 -0.350 0.000 1.017 25 D CB 0.982 41.244 40.800 -0.897 0.000 1.120 25 D HN -0.358 8.183 8.370 0.285 0.000 0.541 26 P HA -0.069 4.246 4.420 -0.174 0.000 0.246 26 P C -1.676 175.446 177.300 -0.297 0.000 1.675 26 P CA 0.327 63.282 63.100 -0.242 0.000 0.908 26 P CB -1.577 30.019 31.700 -0.174 0.000 1.890 27 A N -4.030 118.550 122.820 -0.400 0.000 2.407 27 A HA 0.048 4.224 4.320 -0.240 0.000 0.220 27 A C -2.093 174.977 177.584 -0.857 0.000 2.888 27 A CA 0.490 52.256 52.037 -0.452 0.000 1.579 27 A CB 0.516 19.281 19.000 -0.392 0.000 0.161 27 A HN 0.674 8.508 8.150 -0.392 0.080 0.557 28 Y N -3.641 116.273 120.300 -0.644 0.000 2.818 28 Y HA 0.310 4.769 4.550 -0.481 -0.197 0.341 28 Y C -3.199 172.569 175.900 -0.220 0.000 1.283 28 Y CA -2.331 55.393 58.100 -0.628 0.000 1.075 28 Y CB 0.551 38.359 38.460 -1.086 0.000 1.370 28 Y HN -0.367 7.536 8.280 -0.456 0.103 0.448 29 N N -0.785 118.060 118.700 0.242 0.000 2.331 29 N HA 0.214 5.065 4.740 0.185 0.000 0.280 29 N C -1.707 173.782 175.510 -0.035 0.000 1.155 29 N CA -0.116 53.002 53.050 0.112 0.000 0.822 29 N CB 3.582 42.101 38.487 0.053 0.000 1.619 29 N HN 0.183 8.609 8.380 0.170 0.056 0.476 30 I N 1.158 121.709 120.570 -0.031 0.000 2.512 30 I HA 0.198 4.319 4.170 -0.081 0.000 0.287 30 I C -2.326 173.774 176.117 -0.028 0.000 1.069 30 I CA -0.553 60.711 61.300 -0.060 0.000 1.056 30 I CB 2.585 40.538 38.000 -0.079 0.000 1.229 30 I HN 0.468 8.690 8.210 0.020 0.000 0.429 31 N N 7.287 125.963 118.700 -0.041 0.000 2.540 31 N HA 0.672 5.620 4.740 -0.017 -0.218 0.275 31 N C -1.664 173.830 175.510 -0.026 0.000 1.053 31 N CA -0.458 52.573 53.050 -0.032 0.000 0.876 31 N CB 2.525 40.984 38.487 -0.047 0.000 1.284 31 N HN 0.732 9.077 8.380 -0.059 0.000 0.518 32 I N 3.455 124.029 120.570 0.007 0.000 2.619 32 I HA 0.574 4.923 4.170 0.017 -0.169 0.292 32 I C -1.332 174.816 176.117 0.051 0.000 1.100 32 I CA -1.249 60.075 61.300 0.040 0.000 1.043 32 I CB 3.705 41.762 38.000 0.096 0.000 1.239 32 I HN 0.963 9.052 8.210 0.013 0.129 0.420 33 S N 4.800 120.529 115.700 0.048 0.000 2.500 33 S HA 1.081 5.761 4.470 -0.021 -0.223 0.301 33 S C -1.559 173.062 174.600 0.035 0.000 1.092 33 S CA -0.915 57.292 58.200 0.011 0.000 1.030 33 S CB 3.184 66.370 63.200 -0.023 0.000 1.031 33 S HN 1.182 9.394 8.310 0.048 0.126 0.483 34 L N 4.804 125.989 121.223 -0.063 0.000 2.372 34 L HA 0.641 4.946 4.340 -0.058 0.000 0.273 34 L C -2.848 173.782 176.870 -0.401 0.000 0.989 34 L CA -3.435 51.312 54.840 -0.154 0.000 0.841 34 L CB 2.623 44.606 42.059 -0.126 0.000 1.225 34 L HN 0.935 8.960 8.230 -0.118 0.135 0.414 35 P HA 0.018 4.172 4.420 -0.443 0.000 0.269 35 P C 0.673 177.508 177.300 -0.775 0.000 1.205 35 P CA -0.041 62.626 63.100 -0.721 0.000 0.780 35 P CB 0.814 31.991 31.700 -0.872 0.000 0.858 36 S N 0.237 115.586 115.700 -0.586 0.000 2.380 36 S HA -0.350 3.986 4.470 -0.328 -0.062 0.229 36 S C -0.364 173.991 174.600 -0.409 0.000 1.050 36 S CA 4.351 62.280 58.200 -0.452 0.000 1.100 36 S CB 0.393 63.350 63.200 -0.404 0.000 0.984 36 S HN 0.482 8.490 8.310 -0.503 0.000 0.434 37 Y N -6.816 113.367 120.300 -0.195 0.000 2.555 37 Y HA 0.330 4.813 4.550 -0.112 0.000 0.326 37 Y C -1.180 174.859 175.900 0.232 0.000 0.984 37 Y CA -3.536 54.530 58.100 -0.057 0.000 1.298 37 Y CB -0.188 38.260 38.460 -0.019 0.000 1.094 37 Y HN -0.574 6.930 8.280 -1.292 0.000 0.500 38 Y N 5.620 125.899 120.300 -0.034 0.000 2.478 38 Y HA 0.390 4.841 4.550 -0.165 0.000 0.329 38 Y C -1.559 174.161 175.900 -0.301 0.000 0.967 38 Y CA -4.057 53.953 58.100 -0.151 0.000 1.255 38 Y CB 0.319 38.717 38.460 -0.104 0.000 1.103 38 Y HN -0.192 8.092 8.280 0.007 0.000 0.497 39 P HA -0.340 3.665 4.420 -0.692 0.000 0.229 39 P C -1.025 175.972 177.300 -0.506 0.000 0.791 39 P CA 2.596 65.130 63.100 -0.943 0.000 1.091 39 P CB 0.289 30.435 31.700 -2.590 0.000 0.715 40 D N -4.316 115.801 120.400 -0.470 0.000 3.139 40 D HA -0.027 4.612 4.640 -0.003 0.000 0.268 40 D C 0.336 176.535 176.300 -0.167 0.000 1.322 40 D CA -1.062 52.888 54.000 -0.083 0.000 0.940 40 D CB -1.580 39.334 40.800 0.189 0.000 1.050 40 D HN 0.222 8.141 8.370 -0.753 0.000 0.503 41 Q N 1.214 120.949 119.800 -0.109 0.000 2.308 41 Q HA -0.392 3.770 4.340 -0.296 0.000 0.209 41 Q C 1.563 177.434 176.000 -0.216 0.000 0.985 41 Q CA 2.405 58.149 55.803 -0.098 0.000 0.881 41 Q CB -1.080 27.843 28.738 0.308 0.000 0.917 41 Q HN -0.221 7.980 8.270 -0.033 0.049 0.443 42 K N -1.260 119.083 120.400 -0.096 0.000 2.304 42 K HA -0.309 3.896 4.320 -0.192 0.000 0.204 42 K C 2.861 179.409 176.600 -0.086 0.000 1.044 42 K CA 1.973 58.202 56.287 -0.097 0.000 0.932 42 K CB -1.055 31.455 32.500 0.016 0.000 0.735 42 K HN 0.110 8.331 8.250 0.017 0.039 0.468 43 S N -0.837 114.797 115.700 -0.110 0.000 2.355 43 S HA -0.268 4.257 4.470 0.092 0.000 0.222 43 S C 2.101 176.878 174.600 0.295 0.000 1.031 43 S CA 3.685 61.895 58.200 0.016 0.000 0.993 43 S CB -0.093 62.951 63.200 -0.259 0.000 0.859 43 S HN 0.297 8.306 8.310 -0.197 0.182 0.453 44 L N -1.447 119.939 121.223 0.271 0.000 2.049 44 L HA -0.131 4.580 4.340 0.618 0.000 0.203 44 L C 1.742 178.717 176.870 0.175 0.000 1.074 44 L CA 3.436 58.546 54.840 0.450 0.000 0.749 44 L CB -0.957 41.402 42.059 0.499 0.000 0.907 44 L HN 0.150 8.253 8.230 -0.048 0.098 0.439 45 E N -0.996 119.076 120.200 -0.213 0.000 2.204 45 E HA -0.406 3.807 4.350 -0.229 0.000 0.194 45 E C 2.390 178.864 176.600 -0.211 0.000 0.989 45 E CA 2.969 59.106 56.400 -0.439 0.000 0.824 45 E CB -0.940 27.764 29.700 -1.660 0.000 0.756 45 E HN 0.128 8.268 8.360 -0.367 0.000 0.477 46 N N -0.542 118.084 118.700 -0.122 0.000 2.142 46 N HA -0.268 4.461 4.740 -0.018 0.000 0.186 46 N C 1.776 177.325 175.510 0.066 0.000 1.023 46 N CA 2.458 55.507 53.050 -0.002 0.000 0.852 46 N CB -0.031 38.483 38.487 0.045 0.000 0.998 46 N HN -0.257 7.908 8.380 -0.136 0.134 0.424 47 Y N 0.951 121.260 120.300 0.015 0.000 2.207 47 Y HA -0.348 4.237 4.550 0.057 0.000 0.287 47 Y C 2.455 178.371 175.900 0.027 0.000 1.156 47 Y CA 3.277 61.409 58.100 0.055 0.000 1.182 47 Y CB -0.027 38.506 38.460 0.123 0.000 0.979 47 Y HN -0.634 7.653 8.280 0.242 0.138 0.521 48 I N 0.029 120.620 120.570 0.035 0.000 2.163 48 I HA -0.572 3.601 4.170 -0.039 -0.027 0.243 48 I C 1.666 177.726 176.117 -0.095 0.000 1.085 48 I CA 2.172 63.454 61.300 -0.030 0.000 1.347 48 I CB -0.474 37.537 38.000 0.018 0.000 1.044 48 I HN 0.704 8.833 8.210 0.095 0.138 0.408 49 A N -1.714 121.068 122.820 -0.063 0.000 1.940 49 A HA -0.465 3.831 4.320 -0.041 0.000 0.221 49 A C 2.335 179.855 177.584 -0.107 0.000 1.190 49 A CA 3.180 55.183 52.037 -0.056 0.000 0.647 49 A CB -0.849 18.136 19.000 -0.026 0.000 0.821 49 A HN -0.390 7.735 8.150 -0.041 0.000 0.457 50 Q N -3.932 115.760 119.800 -0.180 0.000 2.137 50 Q HA -0.192 4.017 4.340 -0.218 0.000 0.198 50 Q C 2.714 178.429 176.000 -0.474 0.000 0.960 50 Q CA 2.611 58.224 55.803 -0.317 0.000 0.847 50 Q CB -0.265 28.245 28.738 -0.380 0.000 0.915 50 Q HN -0.290 7.746 8.270 -0.158 0.139 0.448 51 T N 2.725 116.974 114.554 -0.509 0.000 2.732 51 T HA -0.250 3.696 4.350 -0.673 0.000 0.261 51 T C 1.729 176.345 174.700 -0.141 0.000 1.040 51 T CA 4.124 65.971 62.100 -0.423 0.000 1.145 51 T CB 0.010 68.783 68.868 -0.157 0.000 0.866 51 T HN 0.637 8.456 8.240 -0.412 0.175 0.427 52 R N -0.005 120.495 120.500 0.001 0.000 2.093 52 R HA -0.081 4.655 4.340 0.354 -0.183 0.224 52 R C 1.870 178.179 176.300 0.015 0.000 1.101 52 R CA 2.199 58.363 56.100 0.107 0.000 0.979 52 R CB -1.196 29.110 30.300 0.011 0.000 0.877 52 R HN -0.521 7.713 8.270 -0.060 0.000 0.441 53 D N -0.864 119.494 120.400 -0.069 0.000 2.104 53 D HA -0.325 4.312 4.640 -0.005 0.000 0.194 53 D C 1.587 177.840 176.300 -0.078 0.000 0.994 53 D CA 3.572 57.543 54.000 -0.050 0.000 0.830 53 D CB -0.177 40.589 40.800 -0.057 0.000 0.959 53 D HN -0.628 7.682 8.370 -0.100 0.000 0.452 54 K N -1.305 118.981 120.400 -0.191 0.000 2.063 54 K HA -0.309 3.892 4.320 -0.198 0.000 0.208 54 K C 2.592 179.040 176.600 -0.253 0.000 1.048 54 K CA 3.118 59.237 56.287 -0.281 0.000 0.928 54 K CB -0.188 32.033 32.500 -0.465 0.000 0.713 54 K HN -0.805 7.308 8.250 -0.228 0.000 0.442 55 F N -1.913 118.024 119.950 -0.021 0.000 2.113 55 F HA -0.270 4.296 4.527 0.065 0.000 0.297 55 F C 2.126 177.893 175.800 -0.055 0.000 1.103 55 F CA 3.353 61.374 58.000 0.034 0.000 1.248 55 F CB -0.261 38.796 39.000 0.096 0.000 0.999 55 F HN -0.715 7.391 8.300 -0.187 0.081 0.475 56 L N -3.327 117.970 121.223 0.124 0.000 2.191 56 L HA -0.435 3.673 4.340 -0.387 0.000 0.212 56 L C 2.324 179.131 176.870 -0.105 0.000 1.103 56 L CA 2.772 57.566 54.840 -0.078 0.000 0.769 56 L CB -1.123 41.082 42.059 0.243 0.000 0.908 56 L HN 0.800 9.025 8.230 0.174 0.109 0.438 57 S N -0.356 115.321 115.700 -0.039 0.000 2.383 57 S HA -0.245 4.158 4.470 -0.014 0.059 0.229 57 S C 1.400 175.950 174.600 -0.083 0.000 1.030 57 S CA 2.947 61.115 58.200 -0.052 0.000 1.002 57 S CB -0.351 62.802 63.200 -0.077 0.000 0.829 57 S HN 0.265 8.431 8.310 -0.009 0.138 0.467 58 A N 0.283 123.033 122.820 -0.116 0.000 1.855 58 A HA -0.060 4.192 4.320 -0.112 0.000 0.213 58 A C 1.602 179.071 177.584 -0.191 0.000 1.195 58 A CA 2.574 54.522 52.037 -0.148 0.000 0.610 58 A CB -0.266 18.624 19.000 -0.183 0.000 0.837 58 A HN -0.636 7.335 8.150 -0.101 0.118 0.444 59 A N -2.548 120.098 122.820 -0.291 0.000 2.272 59 A HA -0.068 4.097 4.320 -0.259 0.000 0.213 59 A C 0.564 177.990 177.584 -0.264 0.000 1.183 59 A CA 1.870 53.696 52.037 -0.351 0.000 0.719 59 A CB -0.791 17.834 19.000 -0.624 0.000 0.771 59 A HN -0.488 7.468 8.150 -0.322 0.000 0.484 60 T N -4.337 110.122 114.554 -0.158 0.000 3.163 60 T HA -0.130 4.244 4.350 0.039 0.000 0.260 60 T C 0.226 174.914 174.700 -0.020 0.000 1.156 60 T CA 1.822 63.907 62.100 -0.025 0.000 1.072 60 T CB -0.557 68.323 68.868 0.019 0.000 0.937 60 T HN -0.527 7.502 8.240 -0.151 0.120 0.528 61 S N 0.728 116.395 115.700 -0.055 0.000 3.249 61 S HA 0.156 4.615 4.470 -0.018 0.000 0.237 61 S C -0.595 173.984 174.600 -0.035 0.000 1.007 61 S CA 1.019 59.197 58.200 -0.037 0.000 0.811 61 S CB 1.951 65.125 63.200 -0.044 0.000 0.832 61 S HN -0.214 7.853 8.310 -0.096 0.185 0.573 62 S N -1.125 114.540 115.700 -0.058 0.000 2.584 62 S HA 0.103 4.558 4.470 -0.024 0.000 0.189 62 S C -1.666 172.898 174.600 -0.059 0.000 0.869 62 S CA 0.128 58.302 58.200 -0.042 0.000 1.097 62 S CB -0.080 63.103 63.200 -0.029 0.000 1.677 62 S HN -0.252 8.006 8.310 -0.086 0.000 0.460 63 T N 2.926 117.429 114.554 -0.085 0.000 2.929 63 T HA 0.470 4.775 4.350 -0.074 0.000 0.284 63 T C -2.171 172.531 174.700 0.003 0.000 1.014 63 T CA -2.415 59.635 62.100 -0.085 0.000 1.051 63 T CB 0.029 68.758 68.868 -0.231 0.000 1.028 63 T HN -0.464 7.719 8.240 -0.096 0.000 0.485 64 P HA -0.113 4.338 4.420 0.052 0.000 0.252 64 P C -2.046 175.313 177.300 0.098 0.000 1.635 64 P CA 0.289 63.431 63.100 0.070 0.000 1.206 64 P CB -1.591 30.156 31.700 0.077 0.000 1.911 65 R N 2.410 122.965 120.500 0.091 0.000 2.216 65 R HA 0.544 5.561 4.340 0.151 -0.586 0.332 65 R C 0.842 177.216 176.300 0.123 0.000 1.056 65 R CA -1.333 54.845 56.100 0.131 0.000 0.901 65 R CB 0.085 30.488 30.300 0.172 0.000 1.039 65 R HN 0.422 8.698 8.270 0.068 0.035 0.456 66 E N 5.573 125.842 120.200 0.115 0.000 2.132 66 E HA -0.411 3.982 4.350 0.072 0.000 0.218 66 E C -0.422 176.226 176.600 0.080 0.000 1.058 66 E CA 3.099 59.550 56.400 0.085 0.000 0.882 66 E CB -0.032 29.711 29.700 0.073 0.000 0.774 66 E HN 0.205 8.796 8.360 0.121 -0.158 0.467 67 A N -3.610 119.268 122.820 0.097 0.000 1.728 67 A HA 0.314 4.694 4.320 0.074 -0.016 0.202 67 A C -2.460 175.198 177.584 0.123 0.000 1.758 67 A CA 0.356 52.443 52.037 0.083 0.000 1.146 67 A CB 0.170 19.202 19.000 0.052 0.000 1.056 67 A HN 0.073 8.209 8.150 0.121 0.087 0.539 68 P HA 0.189 4.759 4.420 0.198 -0.032 0.278 68 P C -2.449 175.128 177.300 0.462 0.000 1.298 68 P CA -0.538 62.669 63.100 0.178 0.000 0.781 68 P CB 1.935 33.629 31.700 -0.011 0.000 2.022 69 Y N -7.186 113.201 120.300 0.145 0.000 2.641 69 Y HA 0.385 5.154 4.550 0.100 -0.159 0.333 69 Y C -2.022 173.934 175.900 0.093 0.000 1.174 69 Y CA -2.155 56.027 58.100 0.137 0.000 1.057 69 Y CB 2.298 40.864 38.460 0.175 0.000 1.322 69 Y HN -0.478 7.849 8.280 0.079 0.000 0.457 70 E N -0.646 119.660 120.200 0.176 0.000 2.412 70 E HA 0.371 4.921 4.350 0.020 -0.188 0.279 70 E C -2.768 173.791 176.600 -0.069 0.000 0.984 70 E CA -1.844 54.569 56.400 0.021 0.000 0.788 70 E CB 5.209 34.895 29.700 -0.024 0.000 1.277 70 E HN 0.373 8.851 8.360 0.197 0.000 0.455 71 L N 2.283 123.438 121.223 -0.114 0.000 2.406 71 L HA 0.277 4.489 4.340 -0.214 0.000 0.272 71 L C -2.748 174.010 176.870 -0.188 0.000 0.980 71 L CA -0.594 54.153 54.840 -0.155 0.000 0.831 71 L CB 2.959 44.969 42.059 -0.081 0.000 1.253 71 L HN 0.237 8.341 8.230 -0.093 0.071 0.406 72 N N 7.710 126.227 118.700 -0.305 0.000 2.424 72 N HA 0.541 5.308 4.740 -0.182 -0.137 0.271 72 N C -2.334 173.056 175.510 -0.199 0.000 0.985 72 N CA -0.528 52.359 53.050 -0.272 0.000 0.921 72 N CB 2.737 40.973 38.487 -0.419 0.000 1.149 72 N HN 0.042 8.173 8.380 -0.415 0.000 0.492 73 I N 5.821 126.327 120.570 -0.108 0.000 2.644 73 I HA 1.048 5.454 4.170 -0.128 -0.313 0.291 73 I C -2.663 173.444 176.117 -0.017 0.000 1.180 73 I CA -1.675 59.584 61.300 -0.069 0.000 1.040 73 I CB 3.954 41.950 38.000 -0.006 0.000 1.255 73 I HN 0.181 8.338 8.210 -0.088 0.000 0.422 74 T N 10.117 124.659 114.554 -0.020 0.000 3.193 74 T HA 0.677 5.342 4.350 0.075 -0.270 0.332 74 T C -1.322 173.453 174.700 0.124 0.000 1.208 74 T CA -0.396 61.733 62.100 0.049 0.000 1.080 74 T CB 3.019 71.900 68.868 0.021 0.000 1.180 74 T HN 0.286 8.416 8.240 -0.089 0.056 0.469 75 S N 5.136 120.967 115.700 0.219 0.000 2.648 75 S HA 0.550 5.336 4.470 0.294 -0.139 0.305 75 S C -1.439 173.422 174.600 0.434 0.000 1.094 75 S CA -2.292 56.114 58.200 0.344 0.000 0.983 75 S CB 2.670 66.144 63.200 0.456 0.000 1.101 75 S HN 0.204 8.642 8.310 0.213 0.000 0.514 76 A N 1.067 124.093 122.820 0.343 0.000 2.267 76 A HA 0.350 4.844 4.320 0.291 0.000 0.315 76 A C -1.277 176.282 177.584 -0.041 0.000 1.297 76 A CA -1.489 50.670 52.037 0.204 0.000 0.865 76 A CB 1.510 20.528 19.000 0.030 0.000 1.165 76 A HN 0.187 8.429 8.150 0.327 0.104 0.513 77 T N 4.860 119.235 114.554 -0.298 0.000 2.899 77 T HA 0.298 4.661 4.350 -0.219 -0.144 0.284 77 T C -0.791 173.723 174.700 -0.309 0.000 1.004 77 T CA -1.274 60.556 62.100 -0.450 0.000 1.043 77 T CB 1.122 69.483 68.868 -0.845 0.000 1.013 77 T HN 0.307 8.510 8.240 -0.062 0.000 0.518 78 Y N 3.019 123.256 120.300 -0.106 0.000 2.630 78 Y HA 0.319 4.872 4.550 0.004 0.000 0.337 78 Y C -1.710 174.201 175.900 0.018 0.000 1.051 78 Y CA -2.363 55.733 58.100 -0.007 0.000 1.121 78 Y CB 3.129 41.616 38.460 0.045 0.000 1.299 78 Y HN 0.267 8.725 8.280 0.296 0.000 0.498 79 Q N -1.497 118.435 119.800 0.220 0.000 2.377 79 Q HA 0.746 5.423 4.340 0.156 -0.243 0.279 79 Q C -1.159 174.925 176.000 0.140 0.000 1.049 79 Q CA -1.165 54.730 55.803 0.153 0.000 0.825 79 Q CB 4.287 33.087 28.738 0.105 0.000 1.401 79 Q HN 0.078 8.498 8.270 0.250 0.000 0.404 80 S N 0.451 116.224 115.700 0.122 0.000 2.652 80 S HA 0.184 4.827 4.470 0.102 -0.112 0.270 80 S C -1.140 173.505 174.600 0.075 0.000 1.243 80 S CA -1.593 56.666 58.200 0.098 0.000 0.999 80 S CB 1.063 64.317 63.200 0.090 0.000 0.973 80 S HN 0.842 9.118 8.310 0.130 0.112 0.544 81 A N 3.359 126.215 122.820 0.060 0.000 2.323 81 A HA 0.283 4.628 4.320 0.042 0.000 0.305 81 A C -2.165 175.438 177.584 0.033 0.000 1.275 81 A CA -1.016 51.047 52.037 0.044 0.000 0.804 81 A CB 0.854 19.879 19.000 0.042 0.000 1.152 81 A HN 0.435 8.621 8.150 0.060 0.000 0.487 82 I N 2.617 123.202 120.570 0.025 0.000 2.608 82 I HA 0.403 4.583 4.170 0.017 0.000 0.295 82 I C -1.954 174.166 176.117 0.004 0.000 1.049 82 I CA -3.166 58.144 61.300 0.016 0.000 1.063 82 I CB 3.186 41.196 38.000 0.017 0.000 1.248 82 I HN 0.629 8.782 8.210 0.024 0.072 0.424 83 P HA -0.187 4.232 4.420 -0.002 0.000 0.227 83 P C -2.206 175.085 177.300 -0.015 0.000 0.791 83 P CA 2.284 65.381 63.100 -0.005 0.000 1.075 83 P CB -1.922 29.775 31.700 -0.005 0.000 0.728 84 P HA 0.037 4.432 4.420 -0.042 0.000 0.276 84 P C -0.629 176.644 177.300 -0.044 0.000 1.253 84 P CA -0.013 63.057 63.100 -0.050 0.000 0.766 84 P CB 0.324 31.972 31.700 -0.088 0.000 0.845 85 R N 1.858 122.340 120.500 -0.030 0.000 3.283 85 R HA -0.488 3.853 4.340 0.001 0.000 0.658 85 R C 0.518 176.822 176.300 0.006 0.000 0.241 85 R CA 1.922 58.017 56.100 -0.009 0.000 2.017 85 R CB -1.398 28.894 30.300 -0.013 0.000 0.771 85 R HN 0.101 8.353 8.270 -0.029 0.000 0.654 86 G N -4.948 103.869 108.800 0.029 0.000 3.504 86 G HA2 0.241 4.220 3.960 0.032 0.000 0.162 86 G HA3 0.241 4.398 3.960 0.055 -0.164 0.162 86 G C -1.970 172.976 174.900 0.076 0.000 1.311 86 G CA 0.283 45.411 45.100 0.047 0.000 1.322 86 G HN 0.110 8.424 8.290 0.039 0.000 0.738 87 T N 1.457 116.077 114.554 0.109 0.000 2.868 87 T HA 0.214 4.781 4.350 0.185 -0.107 0.306 87 T C -2.406 172.412 174.700 0.196 0.000 1.224 87 T CA -0.618 61.578 62.100 0.159 0.000 1.012 87 T CB 3.595 72.540 68.868 0.129 0.000 1.221 87 T HN -0.724 7.573 8.240 0.103 0.005 0.499 88 Q N 3.131 123.099 119.800 0.280 0.000 2.356 88 Q HA 0.680 5.312 4.340 0.149 -0.203 0.270 88 Q C -2.904 173.191 176.000 0.158 0.000 1.058 88 Q CA -1.931 53.981 55.803 0.183 0.000 0.802 88 Q CB 4.079 32.861 28.738 0.072 0.000 1.303 88 Q HN 0.753 9.263 8.270 0.400 0.000 0.444 89 A N 5.791 128.689 122.820 0.131 0.000 2.408 89 A HA 1.095 5.721 4.320 0.152 -0.215 0.295 89 A C -2.560 175.123 177.584 0.165 0.000 1.040 89 A CA -1.316 50.812 52.037 0.151 0.000 0.707 89 A CB 3.531 22.628 19.000 0.162 0.000 1.235 89 A HN 0.383 8.625 8.150 0.153 0.000 0.418 90 V N -0.594 119.425 119.914 0.175 0.000 2.444 90 V HA 0.807 5.208 4.120 0.174 -0.177 0.294 90 V C -1.783 174.536 176.094 0.376 0.000 1.022 90 V CA -2.812 59.573 62.300 0.143 0.000 0.850 90 V CB 2.667 34.324 31.823 -0.277 0.000 0.992 90 V HN -0.057 8.285 8.190 0.253 0.000 0.426 91 V N 6.642 126.754 119.914 0.331 0.000 2.333 91 V HA 0.459 4.857 4.120 0.202 -0.157 0.274 91 V C -1.105 175.173 176.094 0.307 0.000 1.028 91 V CA -2.127 60.325 62.300 0.254 0.000 0.851 91 V CB 0.740 32.631 31.823 0.112 0.000 1.000 91 V HN -0.346 8.109 8.190 0.441 0.000 0.456 92 L N 8.465 129.842 121.223 0.255 0.000 2.395 92 L HA 0.268 4.936 4.340 0.211 -0.201 0.269 92 L C -0.569 176.238 176.870 -0.104 0.000 1.133 92 L CA -0.674 54.267 54.840 0.169 0.000 0.812 92 L CB 0.835 42.984 42.059 0.149 0.000 1.125 92 L HN 1.058 9.347 8.230 0.221 0.073 0.452 93 K N 2.637 122.827 120.400 -0.350 0.000 2.244 93 K HA 0.088 2.470 4.320 -3.230 0.000 0.263 93 K C -2.044 174.207 176.600 -0.582 0.000 1.103 93 K CA -0.251 55.306 56.287 -1.218 0.000 0.966 93 K CB 0.361 32.551 32.500 -0.517 0.000 1.429 93 K HN 0.809 8.915 8.250 -0.077 0.097 0.434 94 V N 8.392 127.993 119.914 -0.522 0.000 2.488 94 V HA 0.970 5.298 4.120 -0.185 -0.319 0.293 94 V C -2.598 173.450 176.094 -0.075 0.000 1.027 94 V CA -2.658 59.526 62.300 -0.193 0.000 0.862 94 V CB 2.720 34.526 31.823 -0.029 0.000 1.008 94 V HN -0.105 7.617 8.190 -0.780 0.000 0.428 95 Y N 8.973 129.144 120.300 -0.215 0.000 2.373 95 Y HA 0.524 4.985 4.550 -0.269 -0.072 0.336 95 Y C -3.383 172.362 175.900 -0.258 0.000 0.979 95 Y CA -2.337 55.621 58.100 -0.237 0.000 1.080 95 Y CB 3.078 41.423 38.460 -0.190 0.000 1.190 95 Y HN 0.795 8.986 8.280 -0.149 0.000 0.446 96 Q N 6.574 126.240 119.800 -0.223 0.000 2.462 96 Q HA 0.701 4.726 4.340 -0.526 0.000 0.285 96 Q C -2.633 173.168 176.000 -0.332 0.000 1.035 96 Q CA -1.715 53.870 55.803 -0.364 0.000 0.799 96 Q CB 4.844 33.410 28.738 -0.286 0.000 1.452 96 Q HN 0.977 8.985 8.270 -0.265 0.103 0.404 97 N N -2.417 116.172 118.700 -0.186 0.000 2.242 97 N HA 0.639 5.227 4.740 -0.436 -0.109 0.292 97 N C -1.897 173.657 175.510 0.074 0.000 1.125 97 N CA -1.116 51.847 53.050 -0.145 0.000 0.783 97 N CB 4.267 42.740 38.487 -0.024 0.000 1.558 97 N HN -0.025 8.256 8.380 -0.166 0.000 0.472 98 A N -0.023 122.954 122.820 0.262 0.000 2.343 98 A HA 0.202 4.678 4.320 0.261 0.000 0.305 98 A C -0.069 177.649 177.584 0.225 0.000 1.308 98 A CA -0.367 51.817 52.037 0.245 0.000 0.949 98 A CB -0.078 18.982 19.000 0.100 0.000 1.148 98 A HN 0.050 8.406 8.150 0.344 0.000 0.545 99 G N 2.939 111.916 108.800 0.295 0.000 2.162 99 G HA2 -0.438 3.665 3.960 0.252 0.000 0.260 99 G HA3 -0.438 3.584 3.960 0.231 0.077 0.260 99 G C -0.057 174.926 174.900 0.139 0.000 0.976 99 G CA 0.276 45.517 45.100 0.235 0.000 0.655 99 G HN 0.325 8.877 8.290 0.375 -0.037 0.533 100 G N -1.611 107.258 108.800 0.114 0.000 2.604 100 G HA2 -0.321 3.780 3.960 0.066 0.000 0.205 100 G HA3 -0.321 3.682 3.960 0.072 0.000 0.205 100 G C -0.039 174.907 174.900 0.076 0.000 1.186 100 G CA 0.557 45.704 45.100 0.079 0.000 0.753 100 G HN -0.712 7.590 8.290 0.128 0.065 0.526 101 T N 2.829 117.433 114.554 0.083 0.000 2.937 101 T HA -0.143 4.238 4.350 0.051 0.000 0.260 101 T C 0.247 174.994 174.700 0.079 0.000 1.051 101 T CA 1.695 63.837 62.100 0.071 0.000 1.141 101 T CB 0.495 69.405 68.868 0.071 0.000 0.879 101 T HN -0.112 8.268 8.240 0.097 -0.082 0.459 102 H N 5.286 124.373 119.070 0.028 0.000 3.191 102 H HA 0.100 4.663 4.556 0.012 0.000 0.261 102 H C -1.779 173.553 175.328 0.006 0.000 1.013 102 H CA -2.115 53.941 56.048 0.013 0.000 1.457 102 H CB 0.320 30.084 29.762 0.004 0.000 1.535 102 H HN -0.576 7.823 8.280 0.198 0.000 0.518 103 P HA -0.096 4.202 4.420 -0.203 0.000 0.254 103 P C -1.729 175.315 177.300 -0.426 0.000 1.467 103 P CA 0.250 63.197 63.100 -0.255 0.000 1.281 103 P CB -0.919 30.711 31.700 -0.116 0.000 1.754 104 T N 3.258 117.485 114.554 -0.545 0.000 2.847 104 T HA 0.210 4.358 4.350 -0.337 0.000 0.291 104 T C -1.528 172.942 174.700 -0.383 0.000 0.998 104 T CA -1.102 60.671 62.100 -0.546 0.000 0.967 104 T CB 2.048 70.331 68.868 -0.974 0.000 0.954 104 T HN -0.360 7.610 8.240 -0.451 0.000 0.441 105 T N 1.865 116.296 114.554 -0.204 0.000 2.921 105 T HA 0.283 4.619 4.350 -0.024 0.000 0.297 105 T C -1.533 173.196 174.700 0.050 0.000 1.013 105 T CA -1.444 60.607 62.100 -0.082 0.000 0.990 105 T CB 2.025 70.778 68.868 -0.192 0.000 1.023 105 T HN 0.303 8.463 8.240 -0.134 0.000 0.447 106 T N -0.541 114.072 114.554 0.098 0.000 2.942 106 T HA 0.306 4.759 4.350 0.172 0.000 0.327 106 T C -2.904 171.866 174.700 0.117 0.000 1.360 106 T CA -1.372 60.826 62.100 0.164 0.000 1.055 106 T CB 2.402 71.418 68.868 0.247 0.000 1.261 106 T HN 0.512 8.680 8.240 0.067 0.112 0.485 107 Y N 1.419 121.716 120.300 -0.006 0.000 2.328 107 Y HA 0.428 5.088 4.550 -0.023 -0.125 0.337 107 Y C -1.671 174.161 175.900 -0.114 0.000 0.966 107 Y CA -0.438 57.609 58.100 -0.088 0.000 1.136 107 Y CB 2.310 40.620 38.460 -0.249 0.000 1.170 107 Y HN 0.410 8.821 8.280 0.218 0.000 0.470 108 K N 4.113 124.548 120.400 0.057 0.000 2.345 108 K HA 0.325 4.704 4.320 0.097 0.000 0.255 108 K C -2.392 174.094 176.600 -0.190 0.000 0.934 108 K CA -1.450 54.812 56.287 -0.042 0.000 0.801 108 K CB 4.001 36.373 32.500 -0.213 0.000 1.137 108 K HN 0.008 8.269 8.250 0.018 0.000 0.424 109 A N 3.616 126.405 122.820 -0.052 0.000 2.386 109 A HA 0.993 5.565 4.320 0.005 -0.248 0.308 109 A C -1.605 175.893 177.584 -0.144 0.000 1.128 109 A CA -2.035 49.989 52.037 -0.022 0.000 0.789 109 A CB 3.268 22.369 19.000 0.168 0.000 1.325 109 A HN 0.247 8.635 8.150 0.396 0.000 0.437 110 F N -4.453 115.530 119.950 0.054 0.000 2.626 110 F HA 0.265 4.718 4.527 -0.123 0.000 0.311 110 F C -2.027 173.787 175.800 0.025 0.000 1.088 110 F CA -3.112 54.867 58.000 -0.035 0.000 0.949 110 F CB 2.405 41.362 39.000 -0.073 0.000 1.322 110 F HN -0.299 8.581 8.300 0.839 -0.077 0.461 111 D N 0.836 121.366 120.400 0.218 0.000 2.217 111 D HA 0.235 5.134 4.640 0.210 -0.132 0.243 111 D C -1.557 174.867 176.300 0.207 0.000 1.054 111 D CA -0.960 53.149 54.000 0.183 0.000 0.838 111 D CB 2.077 42.950 40.800 0.122 0.000 1.162 111 D HN 0.012 8.459 8.370 0.129 0.000 0.472 112 W N 6.396 127.694 121.300 -0.003 0.000 2.936 112 W HA 0.340 4.975 4.660 -0.042 0.000 0.338 112 W C -2.897 173.625 176.519 0.004 0.000 1.121 112 W CA -2.566 54.764 57.345 -0.024 0.000 1.209 112 W CB 3.975 33.406 29.460 -0.050 0.000 1.420 112 W HN 1.057 9.344 8.180 0.346 0.101 0.516 113 D N 2.933 123.082 120.400 -0.419 0.000 2.383 113 D HA -0.050 4.574 4.640 -0.026 0.000 0.252 113 D C -0.372 175.801 176.300 -0.212 0.000 1.166 113 D CA -0.620 53.225 54.000 -0.258 0.000 0.879 113 D CB 0.907 41.580 40.800 -0.212 0.000 1.164 113 D HN 0.797 8.669 8.370 -0.622 0.126 0.462 114 Q N 5.936 125.811 119.800 0.125 0.000 2.187 114 Q HA -0.236 4.391 4.340 0.479 0.000 0.199 114 Q C 0.747 176.791 176.000 0.074 0.000 0.957 114 Q CA 3.025 58.962 55.803 0.224 0.000 0.857 114 Q CB 0.177 29.019 28.738 0.173 0.000 0.929 114 Q HN -0.078 8.251 8.270 0.099 0.000 0.453 115 A N -2.255 120.530 122.820 -0.058 0.000 1.970 115 A HA -0.060 4.149 4.320 -0.185 0.000 0.216 115 A C 0.802 178.144 177.584 -0.404 0.000 1.170 115 A CA 1.901 53.778 52.037 -0.267 0.000 0.645 115 A CB -0.166 18.573 19.000 -0.435 0.000 0.816 115 A HN -0.206 7.928 8.150 -0.027 0.000 0.447 116 Y N -2.948 117.286 120.300 -0.109 0.000 2.467 116 Y HA 0.015 4.512 4.550 -0.088 0.000 0.250 116 Y C -0.690 175.082 175.900 -0.212 0.000 1.155 116 Y CA -0.752 57.261 58.100 -0.145 0.000 1.249 116 Y CB 0.813 39.168 38.460 -0.176 0.000 1.146 116 Y HN -0.794 7.614 8.280 -0.011 -0.135 0.524 117 R N -4.934 115.502 120.500 -0.106 0.000 3.146 117 R HA -0.438 4.152 4.340 0.314 -0.062 0.250 117 R C -2.006 173.701 176.300 -0.988 0.000 0.912 117 R CA 0.660 56.683 56.100 -0.128 0.000 0.633 117 R CB -3.385 27.064 30.300 0.249 0.000 1.180 117 R HN -0.196 8.040 8.270 -0.045 0.008 0.464 118 K N -2.269 117.078 120.400 -1.755 0.000 2.588 118 K HA 0.434 4.119 4.320 -1.057 0.000 0.250 118 K C -2.402 173.501 176.600 -1.163 0.000 0.972 118 K CA -3.175 52.371 56.287 -1.234 0.000 0.821 118 K CB 3.400 35.568 32.500 -0.553 0.000 1.249 118 K HN -0.152 7.039 8.250 -2.036 -0.162 0.442 119 P HA 0.117 4.586 4.420 0.080 0.000 0.276 119 P C -1.226 175.986 177.300 -0.146 0.000 1.252 119 P CA -0.691 62.374 63.100 -0.057 0.000 0.802 119 P CB 0.804 32.651 31.700 0.245 0.000 1.035 120 I N -0.136 120.366 120.570 -0.112 0.000 2.525 120 I HA 0.192 4.247 4.170 -0.191 0.000 0.301 120 I C -0.643 175.324 176.117 -0.250 0.000 0.992 120 I CA -0.688 60.504 61.300 -0.180 0.000 1.162 120 I CB 1.724 39.621 38.000 -0.171 0.000 1.332 120 I HN -0.249 7.931 8.210 -0.050 0.000 0.458 121 T N 2.467 116.831 114.554 -0.317 0.000 2.919 121 T HA 0.249 4.284 4.350 -0.526 0.000 0.282 121 T C 0.501 174.896 174.700 -0.509 0.000 1.020 121 T CA -3.165 58.625 62.100 -0.517 0.000 0.994 121 T CB 2.165 70.665 68.868 -0.613 0.000 1.180 121 T HN -0.185 7.895 8.240 -0.267 0.000 0.566 122 Y N -2.318 117.899 120.300 -0.138 0.000 2.556 122 Y HA -0.307 3.909 4.550 -0.557 0.000 0.290 122 Y C 0.774 176.700 175.900 0.042 0.000 1.149 122 Y CA 1.573 59.655 58.100 -0.031 0.000 1.329 122 Y CB -0.981 37.738 38.460 0.432 0.000 0.975 122 Y HN 0.265 7.590 8.280 -1.591 0.000 0.561 123 D N -1.515 118.893 120.400 0.014 0.000 2.097 123 D HA -0.163 4.571 4.640 0.158 0.000 0.195 123 D C 1.230 177.545 176.300 0.026 0.000 0.989 123 D CA 3.079 57.117 54.000 0.062 0.000 0.827 123 D CB -0.058 40.737 40.800 -0.007 0.000 0.966 123 D HN 0.009 8.189 8.370 -0.201 0.070 0.456 124 T N -3.791 110.725 114.554 -0.064 0.000 3.231 124 T HA 0.153 4.493 4.350 -0.018 0.000 0.292 124 T C 0.147 174.767 174.700 -0.134 0.000 1.001 124 T CA -1.155 60.903 62.100 -0.069 0.000 0.920 124 T CB 0.710 69.532 68.868 -0.077 0.000 1.140 124 T HN -0.446 7.720 8.240 -0.123 0.000 0.525 125 L N 1.836 122.902 121.223 -0.262 0.000 2.221 125 L HA 0.145 4.300 4.340 -0.307 0.000 0.202 125 L C -1.568 175.046 176.870 -0.426 0.000 1.074 125 L CA 1.377 55.940 54.840 -0.461 0.000 0.795 125 L CB 1.076 42.635 42.059 -0.834 0.000 0.960 125 L HN 0.051 7.951 8.230 -0.250 0.180 0.458 126 W N -1.949 119.412 121.300 0.102 0.000 2.316 126 W HA 0.004 4.755 4.660 0.152 0.000 0.311 126 W C -1.358 175.207 176.519 0.077 0.000 1.217 126 W CA -1.589 55.825 57.345 0.115 0.000 1.199 126 W CB 0.293 29.822 29.460 0.113 0.000 1.202 126 W HN -0.916 7.055 8.180 -0.349 0.000 0.528 127 Q N 3.842 123.809 119.800 0.278 0.000 2.309 127 Q HA 0.158 4.689 4.340 0.147 -0.103 0.264 127 Q C -1.561 174.545 176.000 0.177 0.000 1.008 127 Q CA -1.881 54.022 55.803 0.165 0.000 0.853 127 Q CB 1.909 30.700 28.738 0.089 0.000 1.314 127 Q HN 0.052 8.531 8.270 0.348 0.000 0.448 128 A N 2.788 125.685 122.820 0.127 0.000 2.415 128 A HA 0.172 4.559 4.320 0.111 0.000 0.248 128 A C -0.317 177.305 177.584 0.064 0.000 1.299 128 A CA -0.356 51.739 52.037 0.096 0.000 0.899 128 A CB 0.454 19.499 19.000 0.075 0.000 0.997 128 A HN 0.190 8.403 8.150 0.105 0.000 0.506 129 D N -1.108 119.328 120.400 0.060 0.000 2.413 129 D HA 0.008 4.666 4.640 0.030 0.000 0.237 129 D C -0.934 175.384 176.300 0.029 0.000 1.171 129 D CA -0.023 53.999 54.000 0.036 0.000 0.839 129 D CB 0.835 41.652 40.800 0.029 0.000 0.950 129 D HN 0.113 8.381 8.370 0.077 0.148 0.499 130 T N -1.307 113.273 114.554 0.044 0.000 2.752 130 T HA -0.079 4.415 4.350 0.017 -0.134 0.295 130 T C -0.296 174.414 174.700 0.017 0.000 0.923 130 T CA 0.377 62.499 62.100 0.036 0.000 1.112 130 T CB 0.468 69.381 68.868 0.074 0.000 0.884 130 T HN -0.522 7.545 8.240 0.054 0.205 0.525 131 D N 5.105 125.500 120.400 -0.008 0.000 2.566 131 D HA 0.316 4.959 4.640 0.005 0.000 0.254 131 D C -2.217 174.068 176.300 -0.026 0.000 1.090 131 D CA -2.650 51.344 54.000 -0.009 0.000 1.034 131 D CB 1.307 42.101 40.800 -0.010 0.000 1.434 131 D HN -0.125 8.229 8.370 -0.027 0.000 0.509 132 P HA -0.090 4.321 4.420 -0.014 0.000 0.274 132 P C -0.967 176.292 177.300 -0.069 0.000 1.209 132 P CA 0.315 63.400 63.100 -0.025 0.000 0.790 132 P CB 0.564 32.261 31.700 -0.005 0.000 0.834 133 L N -4.098 117.066 121.223 -0.099 0.000 3.186 133 L HA 0.518 4.814 4.340 -0.140 -0.040 0.317 133 L C -2.303 174.466 176.870 -0.168 0.000 1.296 133 L CA -1.447 53.300 54.840 -0.155 0.000 0.870 133 L CB -1.049 40.875 42.059 -0.224 0.000 1.302 133 L HN 0.030 8.209 8.230 -0.086 0.000 0.590 134 P HA -0.115 4.234 4.420 -0.119 0.000 0.239 134 P C 0.092 177.429 177.300 0.062 0.000 1.184 134 P CA 0.501 63.614 63.100 0.022 0.000 0.760 134 P CB -0.360 31.452 31.700 0.186 0.000 0.884 135 V N -2.357 117.541 119.914 -0.027 0.000 2.688 135 V HA -0.274 3.852 4.120 0.009 0.000 0.256 135 V C 0.971 177.057 176.094 -0.013 0.000 1.084 135 V CA 2.395 64.684 62.300 -0.019 0.000 1.103 135 V CB -0.635 31.155 31.823 -0.054 0.000 0.688 135 V HN -0.589 7.456 8.190 -0.074 0.100 0.480 136 V N -0.946 118.941 119.914 -0.046 0.000 2.599 136 V HA -0.208 3.884 4.120 -0.046 0.000 0.245 136 V C 1.397 177.535 176.094 0.074 0.000 1.046 136 V CA 1.511 63.782 62.300 -0.049 0.000 1.065 136 V CB 0.197 31.914 31.823 -0.176 0.000 0.703 136 V HN -0.622 7.477 8.190 -0.094 0.034 0.464 137 F N 0.883 120.780 119.950 -0.089 0.000 2.141 137 F HA -0.144 4.392 4.527 -0.063 -0.046 0.300 137 F C -0.805 174.969 175.800 -0.043 0.000 1.079 137 F CA 2.552 60.514 58.000 -0.063 0.000 1.264 137 F CB -3.172 35.794 39.000 -0.058 0.000 1.011 137 F HN -0.319 8.053 8.300 0.119 0.000 0.487 138 P HA -0.294 4.108 4.420 -0.029 0.000 0.215 138 P C 1.781 179.079 177.300 -0.002 0.000 1.157 138 P CA 3.282 66.392 63.100 0.016 0.000 0.874 138 P CB -0.276 31.438 31.700 0.022 0.000 0.790 139 I N -2.226 118.357 120.570 0.022 0.000 2.179 139 I HA -0.468 3.706 4.170 0.007 0.000 0.242 139 I C 2.061 178.184 176.117 0.011 0.000 1.088 139 I CA 3.999 65.309 61.300 0.016 0.000 1.357 139 I CB -0.550 37.467 38.000 0.029 0.000 1.051 139 I HN -0.710 7.521 8.210 0.035 0.000 0.409 140 V N 0.593 120.527 119.914 0.033 0.000 2.278 140 V HA -0.545 3.598 4.120 0.039 0.000 0.251 140 V C 2.778 178.856 176.094 -0.027 0.000 1.062 140 V CA 3.793 66.112 62.300 0.032 0.000 1.038 140 V CB -1.448 30.440 31.823 0.108 0.000 0.646 140 V HN -0.688 7.536 8.190 0.058 0.000 0.447 141 Q N -1.162 118.583 119.800 -0.091 0.000 2.049 141 Q HA -0.263 4.011 4.340 -0.110 0.000 0.198 141 Q C 2.830 178.791 176.000 -0.066 0.000 0.971 141 Q CA 3.281 59.013 55.803 -0.119 0.000 0.833 141 Q CB -0.444 28.175 28.738 -0.198 0.000 0.896 141 Q HN -0.044 8.165 8.270 -0.096 0.003 0.434 142 G N 0.332 109.103 108.800 -0.048 0.000 2.513 142 G HA2 -0.439 3.502 3.960 -0.032 0.000 0.219 142 G HA3 -0.439 3.526 3.960 -0.016 -0.015 0.219 142 G C 1.224 176.114 174.900 -0.017 0.000 1.160 142 G CA 2.118 47.201 45.100 -0.027 0.000 0.767 142 G HN 0.798 8.912 8.290 -0.057 0.142 0.571 143 E N 1.685 121.880 120.200 -0.008 0.000 2.110 143 E HA -0.298 4.053 4.350 0.002 0.000 0.193 143 E C 2.025 178.620 176.600 -0.009 0.000 0.988 143 E CA 2.384 58.783 56.400 -0.001 0.000 0.804 143 E CB -0.011 29.695 29.700 0.010 0.000 0.745 143 E HN 0.637 8.850 8.360 -0.006 0.143 0.458 144 L N 0.130 121.341 121.223 -0.020 0.000 1.990 144 L HA -0.433 3.896 4.340 -0.017 0.000 0.213 144 L C 1.952 178.808 176.870 -0.024 0.000 1.072 144 L CA 3.500 58.324 54.840 -0.026 0.000 0.755 144 L CB -0.220 41.811 42.059 -0.047 0.000 0.889 144 L HN -0.485 7.647 8.230 -0.021 0.085 0.432 145 S N -2.922 112.761 115.700 -0.029 0.000 2.420 145 S HA -0.482 4.117 4.470 -0.027 -0.145 0.237 145 S C 1.179 175.770 174.600 -0.015 0.000 1.023 145 S CA 3.615 61.800 58.200 -0.024 0.000 0.991 145 S CB -0.222 62.963 63.200 -0.025 0.000 0.792 145 S HN 0.776 8.896 8.310 -0.037 0.168 0.488 146 K N 0.040 120.433 120.400 -0.011 0.000 2.021 146 K HA -0.247 4.070 4.320 -0.005 0.000 0.205 146 K C 3.248 179.845 176.600 -0.005 0.000 1.047 146 K CA 2.857 59.141 56.287 -0.005 0.000 0.943 146 K CB -0.044 32.456 32.500 -0.000 0.000 0.725 146 K HN -0.270 7.802 8.250 -0.012 0.170 0.439 147 Q N 0.009 119.805 119.800 -0.006 0.000 2.045 147 Q HA -0.201 4.138 4.340 -0.002 0.000 0.206 147 Q C 1.720 177.715 176.000 -0.007 0.000 0.991 147 Q CA 2.777 58.577 55.803 -0.005 0.000 0.851 147 Q CB 0.519 29.253 28.738 -0.006 0.000 0.911 147 Q HN 0.614 8.732 8.270 -0.006 0.148 0.418 148 T N -6.367 108.180 114.554 -0.011 0.000 3.228 148 T HA 0.295 4.640 4.350 -0.009 0.000 0.278 148 T C 0.097 174.789 174.700 -0.013 0.000 1.014 148 T CA -0.594 61.498 62.100 -0.012 0.000 0.904 148 T CB 0.993 69.852 68.868 -0.016 0.000 1.110 148 T HN 0.169 8.295 8.240 -0.015 0.106 0.541 149 G N 1.134 109.927 108.800 -0.012 0.000 2.205 149 G HA2 -0.422 3.607 3.960 -0.010 0.000 0.269 149 G HA3 -0.422 3.532 3.960 -0.010 0.000 0.269 149 G C -1.322 173.569 174.900 -0.016 0.000 0.977 149 G CA 0.914 46.007 45.100 -0.011 0.000 0.652 149 G HN -0.219 7.862 8.290 -0.010 0.203 0.539 150 Q N -2.535 117.253 119.800 -0.020 0.000 2.553 150 Q HA 0.178 4.502 4.340 -0.026 0.000 0.293 150 Q C -1.854 174.123 176.000 -0.038 0.000 1.038 150 Q CA -1.717 54.069 55.803 -0.027 0.000 0.777 150 Q CB 4.204 32.926 28.738 -0.026 0.000 1.487 150 Q HN -0.837 7.296 8.270 -0.019 0.125 0.426 151 Q N 0.022 119.793 119.800 -0.048 0.000 2.274 151 Q HA 0.171 4.468 4.340 -0.072 0.000 0.260 151 Q C -1.956 173.997 176.000 -0.079 0.000 0.974 151 Q CA -1.034 54.727 55.803 -0.071 0.000 0.876 151 Q CB 1.275 29.965 28.738 -0.080 0.000 1.297 151 Q HN 0.126 8.370 8.270 -0.044 0.000 0.446 152 V N 2.568 122.421 119.914 -0.101 0.000 6.864 152 V HA 0.339 4.417 4.120 -0.070 0.000 0.260 152 V C -0.023 176.000 176.094 -0.118 0.000 1.672 152 V CA -1.704 60.540 62.300 -0.092 0.000 0.602 152 V CB 0.362 32.141 31.823 -0.074 0.000 1.589 152 V HN 0.239 8.360 8.190 -0.115 0.000 0.353 153 S N 1.110 116.742 115.700 -0.112 0.000 2.571 153 S HA 0.170 4.545 4.470 -0.159 0.000 0.284 153 S C -1.795 172.738 174.600 -0.112 0.000 1.128 153 S CA -0.365 57.767 58.200 -0.113 0.000 0.970 153 S CB 1.855 65.024 63.200 -0.053 0.000 1.039 153 S HN 0.016 8.270 8.310 -0.094 0.000 0.485 154 I N 2.620 123.092 120.570 -0.163 0.000 2.498 154 I HA 0.189 4.367 4.170 0.014 0.000 0.290 154 I C -1.459 174.790 176.117 0.221 0.000 1.032 154 I CA -1.128 60.155 61.300 -0.029 0.000 1.073 154 I CB 2.612 40.548 38.000 -0.106 0.000 1.251 154 I HN 0.218 8.297 8.210 -0.218 0.000 0.426 155 A N 6.996 129.943 122.820 0.213 0.000 2.340 155 A HA 0.356 4.802 4.320 0.210 0.000 0.268 155 A C -1.497 176.225 177.584 0.231 0.000 1.100 155 A CA -2.191 49.968 52.037 0.203 0.000 0.803 155 A CB -0.042 19.011 19.000 0.088 0.000 1.043 155 A HN 0.192 8.427 8.150 0.143 0.000 0.488 156 P HA -0.187 4.043 4.420 -0.473 -0.093 0.214 156 P C 0.738 177.983 177.300 -0.091 0.000 1.162 156 P CA 2.030 65.043 63.100 -0.145 0.000 0.879 156 P CB 0.427 32.065 31.700 -0.103 0.000 0.786 157 N N -3.079 115.590 118.700 -0.052 0.000 2.515 157 N HA -0.161 4.548 4.740 -0.051 0.000 0.185 157 N C -0.061 175.442 175.510 -0.013 0.000 1.109 157 N CA 1.163 54.178 53.050 -0.057 0.000 0.903 157 N CB -0.588 37.834 38.487 -0.108 0.000 0.969 157 N HN 0.125 8.480 8.380 -0.042 0.000 0.450 158 A N -5.631 117.202 122.820 0.021 0.000 2.348 158 A HA 0.271 4.792 4.320 0.034 -0.181 0.224 158 A C -0.138 177.500 177.584 0.090 0.000 1.227 158 A CA -0.437 51.631 52.037 0.051 0.000 0.885 158 A CB 0.359 19.395 19.000 0.060 0.000 0.933 158 A HN -0.368 7.672 8.150 0.030 0.129 0.506 159 G N -3.130 105.715 108.800 0.074 0.000 3.771 159 G HA2 -0.106 3.892 3.960 0.063 0.000 0.221 159 G HA3 -0.106 4.000 3.960 0.243 0.000 0.221 159 G C -0.351 174.545 174.900 -0.006 0.000 0.897 159 G CA -0.118 45.058 45.100 0.127 0.000 1.034 159 G HN -0.319 7.754 8.290 0.006 0.220 0.720 160 L N 0.435 121.321 121.223 -0.562 0.000 2.010 160 L HA -0.387 1.570 4.340 -3.971 0.000 0.219 160 L C -1.650 174.723 176.870 -0.828 0.000 1.077 160 L CA 3.248 57.171 54.840 -1.530 0.000 0.773 160 L CB 0.378 41.926 42.059 -0.852 0.000 0.892 160 L HN 0.176 8.028 8.230 -0.332 0.179 0.436 161 D N -7.244 112.888 120.400 -0.445 0.000 2.581 161 D HA 0.340 4.834 4.640 -0.243 0.000 0.232 161 D C -2.620 173.575 176.300 -0.175 0.000 1.143 161 D CA -2.323 51.478 54.000 -0.332 0.000 0.881 161 D CB 1.901 42.398 40.800 -0.506 0.000 1.500 161 D HN -0.866 7.265 8.370 -0.388 0.006 0.458 162 P HA -0.081 4.386 4.420 0.079 0.000 0.260 162 P C 0.364 177.793 177.300 0.215 0.000 1.185 162 P CA -0.308 62.831 63.100 0.065 0.000 0.763 162 P CB 0.489 32.260 31.700 0.119 0.000 0.776 163 V N 3.279 123.303 119.914 0.184 0.000 3.380 163 V HA -0.092 4.352 4.120 0.382 -0.095 0.268 163 V C -0.034 176.152 176.094 0.153 0.000 1.168 163 V CA 1.470 63.901 62.300 0.218 0.000 1.156 163 V CB 0.255 32.154 31.823 0.127 0.000 0.785 163 V HN 0.151 8.417 8.190 0.127 0.000 0.487 164 N N -1.836 116.975 118.700 0.185 0.000 2.381 164 N HA -0.172 4.617 4.740 0.081 0.000 0.182 164 N C 0.424 176.036 175.510 0.169 0.000 1.025 164 N CA 2.462 55.607 53.050 0.157 0.000 0.888 164 N CB -0.031 38.571 38.487 0.191 0.000 0.965 164 N HN -0.076 8.325 8.380 0.205 0.102 0.438 165 Y N -1.924 118.410 120.300 0.057 0.000 2.342 165 Y HA -0.232 4.324 4.550 0.010 0.000 0.259 165 Y C -0.181 175.369 175.900 -0.584 0.000 1.049 165 Y CA 2.671 60.752 58.100 -0.032 0.000 1.059 165 Y CB 1.522 40.133 38.460 0.252 0.000 1.026 165 Y HN -0.221 8.196 8.280 0.531 0.182 0.473 166 Q N -9.346 109.701 119.800 -1.253 0.000 4.764 166 Q HA -0.245 2.675 4.340 -2.368 0.000 0.237 166 Q C -2.318 172.063 176.000 -2.700 0.000 0.753 166 Q CA 0.848 55.211 55.803 -2.400 0.000 1.007 166 Q CB -0.264 27.210 28.738 -2.105 0.000 0.646 166 Q HN 0.167 8.077 8.270 -0.600 0.000 1.113 167 N N -3.835 113.933 118.700 -1.553 0.000 2.823 167 N HA 0.090 4.516 4.740 -0.523 0.000 0.251 167 N C -0.863 174.703 175.510 0.092 0.000 1.392 167 N CA -1.672 51.097 53.050 -0.469 0.000 0.864 167 N CB 1.967 40.340 38.487 -0.189 0.000 1.481 167 N HN -0.529 7.307 8.380 -0.907 0.000 0.508 168 F N -1.982 118.064 119.950 0.161 0.000 2.139 168 F HA -0.273 4.630 4.527 0.288 -0.203 0.265 168 F C 0.864 176.730 175.800 0.111 0.000 1.176 168 F CA 1.470 59.533 58.000 0.105 0.000 0.767 168 F CB -2.657 36.199 39.000 -0.240 0.000 0.960 168 F HN 0.516 8.281 8.300 -0.893 0.000 0.529 169 A N 3.175 126.134 122.820 0.231 0.000 2.838 169 A HA 0.302 4.554 4.320 -0.113 0.000 0.337 169 A C -1.485 176.113 177.584 0.023 0.000 1.383 169 A CA -1.700 50.317 52.037 -0.033 0.000 0.985 169 A CB -0.109 18.742 19.000 -0.248 0.000 1.157 169 A HN 0.748 8.987 8.150 0.299 0.091 0.497 170 V N 5.327 125.302 119.914 0.101 0.000 2.389 170 V HA 0.174 4.400 4.120 0.093 -0.051 0.264 170 V C -0.717 175.445 176.094 0.113 0.000 1.049 170 V CA -0.613 61.755 62.300 0.112 0.000 0.932 170 V CB 0.535 32.443 31.823 0.142 0.000 1.011 170 V HN -0.179 8.103 8.190 0.152 0.000 0.475 171 T N 4.307 118.931 114.554 0.117 0.000 2.910 171 T HA 0.279 4.735 4.350 0.177 0.000 0.279 171 T C 0.740 175.503 174.700 0.106 0.000 0.989 171 T CA -2.588 59.603 62.100 0.152 0.000 0.968 171 T CB 2.431 71.425 68.868 0.210 0.000 1.135 171 T HN -0.322 7.975 8.240 0.094 0.000 0.562 172 N N 0.655 119.417 118.700 0.103 0.000 2.430 172 N HA -0.346 4.433 4.740 0.065 0.000 0.186 172 N C 0.544 176.087 175.510 0.055 0.000 1.032 172 N CA 2.480 55.574 53.050 0.072 0.000 0.893 172 N CB 0.067 38.594 38.487 0.068 0.000 0.957 172 N HN 0.403 8.856 8.380 0.122 0.000 0.442 173 D N -3.103 117.333 120.400 0.061 0.000 2.346 173 D HA 0.049 4.708 4.640 0.032 0.000 0.206 173 D C -0.731 175.578 176.300 0.015 0.000 1.001 173 D CA 0.532 54.554 54.000 0.038 0.000 0.871 173 D CB 1.479 42.306 40.800 0.046 0.000 0.943 173 D HN -0.463 7.900 8.370 0.083 0.057 0.518 174 G N -4.118 104.692 108.800 0.017 0.000 2.360 174 G HA2 0.079 4.026 3.960 -0.022 0.000 0.276 174 G HA3 0.079 4.015 3.960 -0.040 0.000 0.276 174 G C -3.031 171.866 174.900 -0.005 0.000 1.256 174 G CA 0.014 45.105 45.100 -0.016 0.000 0.890 174 G HN -0.540 7.648 8.290 0.041 0.126 0.486 175 V N -0.383 119.505 119.914 -0.043 0.000 2.501 175 V HA 0.447 4.617 4.120 0.084 0.000 0.277 175 V C -2.084 174.008 176.094 -0.004 0.000 1.004 175 V CA -2.344 59.962 62.300 0.010 0.000 0.862 175 V CB 1.354 33.157 31.823 -0.032 0.000 1.035 175 V HN -0.032 8.166 8.190 -0.090 -0.063 0.448 176 I N 10.050 130.652 120.570 0.053 0.000 2.337 176 I HA 0.026 4.235 4.170 -0.140 -0.123 0.291 176 I C -1.805 174.441 176.117 0.216 0.000 1.046 176 I CA -0.115 61.171 61.300 -0.023 0.000 1.324 176 I CB 0.669 38.544 38.000 -0.208 0.000 1.409 176 I HN -0.150 8.001 8.210 0.064 0.098 0.494 177 F N 9.116 128.918 119.950 -0.247 0.000 2.421 177 F HA 0.329 4.757 4.527 -0.164 0.000 0.337 177 F C -1.529 173.825 175.800 -0.743 0.000 1.105 177 F CA -2.060 55.766 58.000 -0.290 0.000 1.049 177 F CB 2.335 41.297 39.000 -0.063 0.000 1.139 177 F HN 0.751 8.937 8.300 -0.014 0.106 0.479 178 F N 2.532 121.906 119.950 -0.961 0.000 2.480 178 F HA 0.687 4.970 4.527 -0.533 -0.076 0.329 178 F C -0.620 174.875 175.800 -0.509 0.000 1.091 178 F CA -1.252 56.332 58.000 -0.694 0.000 0.972 178 F CB 4.216 42.908 39.000 -0.513 0.000 1.150 178 F HN 0.230 7.637 8.300 -1.488 0.000 0.467 179 F N 0.271 120.217 119.950 -0.007 0.000 2.599 179 F HA 0.403 4.964 4.527 0.056 0.000 0.311 179 F C -2.656 173.185 175.800 0.069 0.000 1.076 179 F CA -4.156 53.865 58.000 0.035 0.000 0.937 179 F CB 2.020 41.031 39.000 0.019 0.000 1.282 179 F HN 0.948 9.300 8.300 0.336 0.150 0.460 180 N N 0.201 119.063 118.700 0.270 0.000 2.527 180 N HA 0.278 5.209 4.740 0.187 -0.079 0.236 180 N C -2.326 173.198 175.510 0.024 0.000 0.999 180 N CA -1.957 51.183 53.050 0.151 0.000 0.935 180 N CB 0.117 38.684 38.487 0.134 0.000 1.132 180 N HN 0.146 8.677 8.380 0.252 0.000 0.511 181 P HA 0.215 4.558 4.420 -0.127 0.000 0.187 181 P C -0.715 176.547 177.300 -0.063 0.000 1.106 181 P CA -0.227 62.802 63.100 -0.118 0.000 0.793 181 P CB 1.619 33.172 31.700 -0.245 0.000 0.787 182 G N -2.049 106.716 108.800 -0.058 0.000 2.453 182 G HA2 0.153 4.097 3.960 -0.027 0.000 0.184 182 G HA3 0.153 4.089 3.960 -0.040 0.000 0.184 182 G C -0.388 174.501 174.900 -0.018 0.000 1.342 182 G CA 0.797 45.876 45.100 -0.035 0.000 0.771 182 G HN 0.262 8.507 8.290 -0.075 0.000 0.956 183 E N -1.029 119.162 120.200 -0.015 0.000 3.315 183 E HA 0.196 4.549 4.350 0.005 0.000 0.153 183 E C -1.406 175.202 176.600 0.013 0.000 0.934 183 E CA -0.084 56.316 56.400 0.001 0.000 1.426 183 E CB 1.934 31.633 29.700 -0.001 0.000 1.048 183 E HN 0.006 8.351 8.360 -0.025 0.000 0.422 184 L N -0.315 120.922 121.223 0.022 0.000 3.288 184 L HA 0.429 4.793 4.340 0.040 0.000 0.293 184 L C -2.655 174.261 176.870 0.076 0.000 1.294 184 L CA -0.447 54.417 54.840 0.040 0.000 1.006 184 L CB 0.737 42.809 42.059 0.021 0.000 1.407 184 L HN -0.344 7.901 8.230 0.025 0.000 0.592 185 L N -9.539 111.718 121.223 0.057 0.000 1.696 185 L HA -0.076 4.288 4.340 0.040 0.000 0.697 185 L C -2.354 174.543 176.870 0.044 0.000 1.292 185 L CA -0.885 53.989 54.840 0.057 0.000 1.412 185 L CB -2.820 39.290 42.059 0.085 0.000 2.261 185 L HN -0.256 7.879 8.230 0.038 0.118 0.978 186 P HA -0.154 4.229 4.420 -0.002 0.036 0.275 186 P C 0.417 177.714 177.300 -0.005 0.000 1.255 186 P CA 0.048 63.148 63.100 0.001 0.000 0.843 186 P CB 0.856 32.550 31.700 -0.010 0.000 0.948 187 E N -1.217 118.973 120.200 -0.017 0.000 2.396 187 E HA -0.494 3.848 4.350 -0.013 0.000 0.200 187 E C 0.524 177.081 176.600 -0.072 0.000 1.023 187 E CA 3.081 59.463 56.400 -0.030 0.000 0.857 187 E CB -0.462 29.222 29.700 -0.028 0.000 0.775 187 E HN 0.571 8.920 8.360 -0.018 0.000 0.525 188 A N -3.914 118.864 122.820 -0.070 0.000 1.997 188 A HA -0.099 4.125 4.320 -0.160 0.000 0.212 188 A C 0.449 177.966 177.584 -0.112 0.000 1.178 188 A CA 1.428 53.400 52.037 -0.110 0.000 0.698 188 A CB -0.340 18.614 19.000 -0.077 0.000 0.842 188 A HN -0.121 7.911 8.150 -0.044 0.092 0.458 189 A N -3.123 119.669 122.820 -0.048 0.000 2.178 189 A HA 0.147 4.451 4.320 -0.025 0.000 0.211 189 A C 0.120 177.720 177.584 0.027 0.000 1.157 189 A CA -0.027 52.003 52.037 -0.013 0.000 0.780 189 A CB 0.726 19.734 19.000 0.013 0.000 0.828 189 A HN -0.209 7.810 8.150 -0.030 0.113 0.476 190 G N -1.977 106.837 108.800 0.023 0.000 2.301 190 G HA2 -0.163 3.831 3.960 0.058 0.000 0.194 190 G HA3 -0.163 3.902 3.960 0.176 0.000 0.194 190 G C -3.405 171.568 174.900 0.123 0.000 1.266 190 G CA -0.122 45.034 45.100 0.094 0.000 1.210 190 G HN -0.069 8.175 8.290 -0.009 0.040 0.524 191 P HA 0.251 4.917 4.420 0.239 -0.102 0.290 191 P C -1.679 175.912 177.300 0.484 0.000 1.283 191 P CA -0.767 62.504 63.100 0.285 0.000 0.869 191 P CB 1.871 33.740 31.700 0.282 0.000 1.100 192 T N 1.262 116.080 114.554 0.440 0.000 2.847 192 T HA 0.119 4.760 4.350 0.244 -0.145 0.279 192 T C -0.994 173.671 174.700 -0.060 0.000 0.984 192 T CA 0.184 62.466 62.100 0.303 0.000 0.988 192 T CB 1.596 70.600 68.868 0.227 0.000 1.040 192 T HN 0.877 9.220 8.240 0.397 0.135 0.528 193 Q N 1.286 120.638 119.800 -0.746 0.000 2.391 193 Q HA 0.790 4.497 4.340 -1.243 -0.113 0.279 193 Q C -2.892 172.616 176.000 -0.819 0.000 1.028 193 Q CA -1.239 53.707 55.803 -1.428 0.000 0.836 193 Q CB 4.046 30.642 28.738 -3.570 0.000 1.414 193 Q HN 0.222 8.250 8.270 -0.404 0.000 0.397 194 V N -2.615 116.859 119.914 -0.735 0.000 2.482 194 V HA 0.725 4.935 4.120 -0.477 -0.377 0.295 194 V C -1.817 174.051 176.094 -0.378 0.000 1.026 194 V CA -2.777 59.229 62.300 -0.490 0.000 0.856 194 V CB 2.232 33.814 31.823 -0.402 0.000 1.001 194 V HN 1.119 8.684 8.190 -0.839 0.121 0.424 195 L N 9.100 130.126 121.223 -0.328 0.000 2.361 195 L HA 0.104 4.428 4.340 -0.234 -0.125 0.278 195 L C -1.189 175.550 176.870 -0.218 0.000 1.113 195 L CA -0.131 54.559 54.840 -0.249 0.000 0.849 195 L CB 0.591 42.523 42.059 -0.213 0.000 1.155 195 L HN 0.560 9.055 8.230 -0.354 -0.478 0.452 196 V N 6.204 125.965 119.914 -0.255 0.000 2.713 196 V HA 0.464 4.464 4.120 -0.199 0.000 0.307 196 V C -1.704 174.298 176.094 -0.154 0.000 1.052 196 V CA -4.914 57.241 62.300 -0.241 0.000 0.967 196 V CB -0.116 31.474 31.823 -0.388 0.000 1.019 196 V HN 1.188 9.083 8.190 -0.297 0.116 0.459 197 P HA -0.099 4.289 4.420 -0.054 0.000 0.258 197 P C 0.248 177.513 177.300 -0.059 0.000 1.172 197 P CA 0.806 63.865 63.100 -0.068 0.000 0.762 197 P CB 0.276 31.944 31.700 -0.054 0.000 0.764 198 R N 5.841 126.319 120.500 -0.037 0.000 2.062 198 R HA -0.367 3.960 4.340 -0.022 0.000 0.231 198 R C 1.449 177.742 176.300 -0.011 0.000 1.136 198 R CA 3.812 59.900 56.100 -0.019 0.000 0.948 198 R CB -0.325 29.974 30.300 -0.002 0.000 0.845 198 R HN 0.520 8.768 8.270 -0.036 0.000 0.430 199 S N -1.991 113.703 115.700 -0.010 0.000 2.470 199 S HA -0.016 4.453 4.470 -0.002 0.000 0.225 199 S C 0.540 175.132 174.600 -0.013 0.000 1.006 199 S CA 1.663 59.859 58.200 -0.006 0.000 0.934 199 S CB -0.290 62.909 63.200 -0.003 0.000 0.778 199 S HN 0.060 8.363 8.310 -0.011 0.000 0.517 200 A N -0.082 122.725 122.820 -0.021 0.000 1.850 200 A HA -0.011 4.299 4.320 -0.017 0.000 0.212 200 A C 1.445 179.010 177.584 -0.031 0.000 1.208 200 A CA 2.281 54.304 52.037 -0.024 0.000 0.609 200 A CB -0.063 18.922 19.000 -0.026 0.000 0.860 200 A HN -0.114 7.968 8.150 -0.022 0.054 0.448 201 I N -5.801 114.739 120.570 -0.050 0.000 2.876 201 I HA -0.227 3.914 4.170 -0.048 0.000 0.264 201 I C 0.977 177.067 176.117 -0.046 0.000 1.204 201 I CA 2.413 63.676 61.300 -0.062 0.000 1.485 201 I CB 0.089 38.016 38.000 -0.121 0.000 1.103 201 I HN -0.092 7.934 8.210 -0.058 0.150 0.446 202 D N 1.202 121.582 120.400 -0.034 0.000 2.084 202 D HA -0.298 4.328 4.640 -0.024 0.000 0.196 202 D C 1.998 178.288 176.300 -0.018 0.000 0.985 202 D CA 4.001 57.988 54.000 -0.021 0.000 0.826 202 D CB 0.564 41.359 40.800 -0.008 0.000 0.978 202 D HN -0.445 7.906 8.370 -0.032 0.000 0.456 203 S N -0.911 114.781 115.700 -0.014 0.000 2.440 203 S HA -0.240 4.223 4.470 -0.013 0.000 0.238 203 S C 1.144 175.738 174.600 -0.010 0.000 1.010 203 S CA 2.781 60.974 58.200 -0.011 0.000 0.972 203 S CB -0.423 62.772 63.200 -0.008 0.000 0.774 203 S HN 0.106 8.408 8.310 -0.013 0.000 0.501 204 M N 0.548 120.142 119.600 -0.011 0.000 2.530 204 M HA 0.065 4.546 4.480 0.002 0.000 0.231 204 M C -1.634 174.669 176.300 0.004 0.000 1.180 204 M CA -0.864 54.434 55.300 -0.004 0.000 0.985 204 M CB -0.018 32.575 32.600 -0.012 0.000 1.623 204 M HN -0.719 7.479 8.290 -0.017 0.082 0.475 205 L N -1.290 119.931 121.223 -0.003 0.000 2.456 205 L HA 0.035 4.388 4.340 0.021 0.000 0.257 205 L C 0.022 176.900 176.870 0.012 0.000 1.162 205 L CA -1.169 53.670 54.840 -0.002 0.000 0.808 205 L CB 0.457 42.495 42.059 -0.034 0.000 1.136 205 L HN -0.295 7.747 8.230 -0.011 0.181 0.466 206 A N 0.000 122.835 122.820 0.025 0.000 2.254 206 A HA 0.000 4.476 4.320 0.056 -0.122 0.244 206 A CA 0.000 52.065 52.037 0.046 0.000 0.836 206 A CB 0.000 19.005 19.000 0.007 0.000 0.831 206 A HN 0.000 7.989 8.150 0.000 0.161 0.486