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 3f1k_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHYQPKQDLL NDRIILVTGA SDGIGREAAX TYARYGATVI LLGRNEEKLR DATA SEQUENCE QVASHINEET GRQPQWFILD LLTCTSENCQ QLAQRIAVNY PRLDGVLHNA DATA SEQUENCE GLLGDVCPXS EQNPQVWQDV XQVNVNATFX LTQALLPLLL KSDAGSLVFT DATA SEQUENCE SSSVGRQGRA NWGAYAASKF ATEGXXQVLA DEYQQRLRVN CINPGGTRTA DATA SEQUENCE MRASAFPTED PQKLKTPADI XPLYLWLXGD DSRRKTGMTF DAQPGRKPGI DATA SEQUENCE SQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 1 M CA 0.000 55.238 55.300 -0.104 0.000 0.988 1 M CB 0.000 32.427 32.600 -0.289 0.000 1.302 2 H N 4.177 123.214 119.070 -0.056 0.000 2.668 2 H HA 0.540 5.098 4.556 0.003 0.000 0.303 2 H C -2.355 173.020 175.328 0.078 0.000 1.074 2 H CA 0.364 56.416 56.048 0.006 0.000 1.406 2 H CB 0.818 30.576 29.762 -0.005 0.000 1.442 2 H HN 0.623 8.903 8.280 -0.000 0.000 0.482 3 Y N 4.517 124.449 120.300 -0.614 0.000 2.274 3 Y HA 0.185 4.737 4.550 0.003 0.000 0.323 3 Y C -1.669 174.056 175.900 -0.292 0.000 1.171 3 Y CA -0.793 57.034 58.100 -0.454 0.000 1.163 3 Y CB 1.223 39.543 38.460 -0.235 0.000 1.183 3 Y HN 0.698 8.978 8.280 -0.000 0.000 0.424 4 Q N 7.626 127.042 119.800 -0.640 0.000 2.456 4 Q HA 0.533 4.875 4.340 0.004 0.000 0.252 4 Q C -2.706 173.066 176.000 -0.379 0.000 1.042 4 Q CA -1.605 53.957 55.803 -0.401 0.000 0.766 4 Q CB 1.467 30.091 28.738 -0.190 0.000 1.196 4 Q HN 0.443 8.713 8.270 -0.000 0.000 0.504 5 P HA 0.459 4.879 4.420 -0.000 0.000 0.294 5 P C -1.520 175.809 177.300 0.048 0.000 1.323 5 P CA -1.180 61.789 63.100 -0.219 0.000 1.015 5 P CB 1.183 32.650 31.700 -0.389 0.000 1.392 6 K N -0.055 120.371 120.400 0.044 0.000 2.569 6 K HA -0.068 4.254 4.320 0.004 0.000 0.280 6 K C 0.753 177.417 176.600 0.107 0.000 0.984 6 K CA 0.476 56.796 56.287 0.055 0.000 1.064 6 K CB -0.198 32.331 32.500 0.048 0.000 0.866 6 K HN 0.400 8.650 8.250 -0.000 0.000 0.492 7 Q N 1.567 121.323 119.800 -0.073 0.000 2.344 7 Q HA -0.079 4.263 4.340 0.004 0.000 0.212 7 Q C -0.360 175.595 176.000 -0.075 0.000 0.943 7 Q CA 0.437 56.065 55.803 -0.293 0.000 0.955 7 Q CB 0.043 28.521 28.738 -0.433 0.000 1.000 7 Q HN 0.699 8.969 8.270 -0.000 0.000 0.488 8 D N -2.032 118.391 120.400 0.038 0.000 2.540 8 D HA -0.089 4.554 4.640 0.004 0.000 0.229 8 D C 1.215 177.571 176.300 0.094 0.000 1.250 8 D CA -0.264 53.768 54.000 0.053 0.000 0.817 8 D CB -0.257 40.557 40.800 0.022 0.000 1.060 8 D HN 0.211 8.581 8.370 -0.000 0.000 0.508 9 L N 0.140 121.460 121.223 0.162 0.000 2.137 9 L HA -0.005 4.337 4.340 0.004 0.000 0.213 9 L C 0.983 177.914 176.870 0.101 0.000 1.085 9 L CA 1.855 56.783 54.840 0.148 0.000 0.760 9 L CB -0.243 41.934 42.059 0.197 0.000 0.893 9 L HN 0.200 8.430 8.230 -0.000 0.000 0.434 10 L N -0.495 120.799 121.223 0.118 0.000 3.110 10 L HA 0.192 4.534 4.340 0.004 0.000 0.266 10 L C 1.398 178.298 176.870 0.050 0.000 1.257 10 L CA -0.237 54.635 54.840 0.053 0.000 1.038 10 L CB -0.207 41.877 42.059 0.041 0.000 1.395 10 L HN 0.198 8.428 8.230 -0.000 0.000 0.566 11 N N 1.004 119.736 118.700 0.054 0.000 2.060 11 N HA -0.217 4.525 4.740 0.004 0.000 0.195 11 N C 0.887 176.417 175.510 0.033 0.000 1.028 11 N CA 1.674 54.751 53.050 0.045 0.000 0.861 11 N CB 0.196 38.703 38.487 0.034 0.000 1.029 11 N HN 0.184 8.564 8.380 -0.000 0.000 0.428 12 D N -0.212 120.200 120.400 0.020 0.000 2.755 12 D HA 0.122 4.764 4.640 0.004 0.000 0.257 12 D C -0.536 175.769 176.300 0.008 0.000 1.291 12 D CA -0.059 53.950 54.000 0.016 0.000 0.836 12 D CB 0.197 41.003 40.800 0.010 0.000 1.059 12 D HN 0.065 8.434 8.370 -0.000 0.000 0.486 13 R N 0.849 121.349 120.500 0.000 0.000 2.338 13 R HA 0.444 4.786 4.340 0.004 0.000 0.317 13 R C 0.208 176.498 176.300 -0.017 0.000 0.968 13 R CA -0.581 55.502 56.100 -0.029 0.000 0.849 13 R CB 1.468 31.725 30.300 -0.072 0.000 1.128 13 R HN 0.085 8.355 8.270 -0.000 0.000 0.448 14 I N 5.371 125.931 120.570 -0.017 0.000 2.312 14 I HA 0.338 4.511 4.170 0.004 0.000 0.291 14 I C 0.271 176.334 176.117 -0.090 0.000 1.031 14 I CA -0.230 61.062 61.300 -0.014 0.000 1.293 14 I CB 0.534 38.550 38.000 0.026 0.000 1.403 14 I HN 0.335 8.545 8.210 -0.000 0.000 0.484 15 I N 7.330 127.847 120.570 -0.088 0.000 2.478 15 I HA 0.339 4.511 4.170 0.004 0.000 0.287 15 I C -0.515 175.565 176.117 -0.061 0.000 1.042 15 I CA -0.525 60.705 61.300 -0.116 0.000 1.067 15 I CB 2.503 40.391 38.000 -0.188 0.000 1.233 15 I HN 0.465 8.675 8.210 -0.000 0.000 0.431 16 L N 7.592 128.755 121.223 -0.100 0.000 2.292 16 L HA 0.649 4.991 4.340 0.004 0.000 0.284 16 L C -1.090 175.761 176.870 -0.032 0.000 1.065 16 L CA -0.444 54.352 54.840 -0.074 0.000 0.806 16 L CB 1.346 43.322 42.059 -0.138 0.000 1.175 16 L HN 0.353 8.583 8.230 -0.000 0.000 0.431 17 V N 3.501 123.433 119.914 0.030 0.000 2.487 17 V HA 0.392 4.514 4.120 0.004 0.000 0.298 17 V C 0.197 176.318 176.094 0.044 0.000 1.028 17 V CA -0.492 61.839 62.300 0.051 0.000 0.860 17 V CB 2.122 34.004 31.823 0.098 0.000 0.991 17 V HN 0.890 9.080 8.190 -0.000 0.000 0.427 18 T N 0.828 115.405 114.554 0.039 0.000 2.922 18 T HA 0.589 4.942 4.350 0.004 0.000 0.285 18 T C 0.971 175.715 174.700 0.073 0.000 1.005 18 T CA 0.322 62.465 62.100 0.073 0.000 1.061 18 T CB 1.458 70.397 68.868 0.117 0.000 1.007 18 T HN 1.990 10.230 8.240 -0.000 0.000 0.502 19 G N 0.736 109.577 108.800 0.069 0.000 2.249 19 G HA2 -0.094 3.868 3.960 0.004 0.000 0.273 19 G HA3 -0.094 3.868 3.960 0.004 0.000 0.273 19 G C 0.854 175.769 174.900 0.026 0.000 1.036 19 G CA 0.091 45.222 45.100 0.051 0.000 0.824 19 G HN 1.524 9.814 8.290 -0.000 0.000 0.504 20 A N -0.450 122.385 122.820 0.024 0.000 2.167 20 A HA 0.394 4.716 4.320 0.004 0.000 0.214 20 A C 2.402 179.974 177.584 -0.021 0.000 1.151 20 A CA 1.971 54.011 52.037 0.005 0.000 0.735 20 A CB -0.212 18.806 19.000 0.030 0.000 0.802 20 A HN 0.938 9.088 8.150 -0.000 0.000 0.467 21 S N -0.396 115.288 115.700 -0.026 0.000 2.453 21 S HA 0.031 4.503 4.470 0.004 0.000 0.231 21 S C 0.428 175.002 174.600 -0.044 0.000 1.005 21 S CA 0.611 58.779 58.200 -0.054 0.000 0.949 21 S CB -0.012 63.152 63.200 -0.059 0.000 0.774 21 S HN 0.679 8.989 8.310 -0.000 0.000 0.510 22 D N -2.301 118.082 120.400 -0.028 0.000 2.639 22 D HA 0.487 5.129 4.640 0.004 0.000 0.271 22 D C 0.585 176.872 176.300 -0.022 0.000 1.254 22 D CA 0.572 54.558 54.000 -0.023 0.000 0.810 22 D CB 1.297 42.087 40.800 -0.016 0.000 1.351 22 D HN 0.175 8.545 8.370 -0.000 0.000 0.427 23 G N 0.790 109.578 108.800 -0.020 0.000 2.651 23 G HA2 -0.342 3.621 3.960 0.004 0.000 0.315 23 G HA3 -0.342 3.621 3.960 0.004 0.000 0.315 23 G C 1.473 176.341 174.900 -0.054 0.000 1.258 23 G CA 0.798 45.885 45.100 -0.021 0.000 1.002 23 G HN 0.567 8.857 8.290 -0.000 0.000 0.551 24 I N 1.910 122.445 120.570 -0.059 0.000 2.353 24 I HA 0.002 4.174 4.170 0.004 0.000 0.248 24 I C 3.068 179.076 176.117 -0.183 0.000 1.119 24 I CA 1.528 62.743 61.300 -0.141 0.000 1.417 24 I CB -0.824 37.113 38.000 -0.104 0.000 1.078 24 I HN 0.585 8.795 8.210 -0.000 0.000 0.421 25 G N 1.280 110.027 108.800 -0.088 0.000 2.421 25 G HA2 -0.289 3.674 3.960 0.004 0.000 0.216 25 G HA3 -0.289 3.674 3.960 0.004 0.000 0.216 25 G C 1.744 176.588 174.900 -0.093 0.000 1.171 25 G CA 0.907 45.963 45.100 -0.072 0.000 0.775 25 G HN 0.319 8.609 8.290 -0.000 0.000 0.543 26 R N 0.417 120.874 120.500 -0.072 0.000 2.083 26 R HA -0.125 4.217 4.340 0.004 0.000 0.237 26 R C 2.351 178.592 176.300 -0.099 0.000 1.137 26 R CA 2.057 58.118 56.100 -0.065 0.000 0.951 26 R CB -0.430 29.844 30.300 -0.042 0.000 0.851 26 R HN 0.330 8.600 8.270 -0.000 0.000 0.434 27 E N 0.318 120.438 120.200 -0.134 0.000 2.058 27 E HA -0.156 4.196 4.350 0.004 0.000 0.194 27 E C 1.810 178.250 176.600 -0.268 0.000 0.997 27 E CA 1.958 58.256 56.400 -0.170 0.000 0.801 27 E CB -0.365 29.223 29.700 -0.187 0.000 0.746 27 E HN 0.499 8.859 8.360 -0.000 0.000 0.450 28 A N 0.946 123.529 122.820 -0.395 0.000 1.877 28 A HA 0.129 4.451 4.320 0.004 0.000 0.216 28 A C 1.649 178.812 177.584 -0.703 0.000 1.186 28 A CA 1.261 52.896 52.037 -0.670 0.000 0.620 28 A CB -1.111 17.502 19.000 -0.645 0.000 0.822 28 A HN 0.393 8.543 8.150 -0.000 0.000 0.443 32 Y N 2.727 123.084 120.300 0.095 0.000 2.102 32 Y HA 0.017 4.569 4.550 0.004 0.000 0.280 32 Y C 2.848 178.834 175.900 0.143 0.000 1.178 32 Y CA 1.059 59.220 58.100 0.101 0.000 1.146 32 Y CB -1.368 37.126 38.460 0.057 0.000 0.968 32 Y HN 0.431 8.711 8.280 -0.000 0.000 0.504 33 A N 0.294 123.278 122.820 0.272 0.000 1.865 33 A HA -0.227 4.095 4.320 0.004 0.000 0.217 33 A C 2.271 179.956 177.584 0.168 0.000 1.191 33 A CA 1.740 53.888 52.037 0.185 0.000 0.623 33 A CB -0.745 18.334 19.000 0.132 0.000 0.826 33 A HN 0.402 8.552 8.150 -0.000 0.000 0.444 34 R N -2.254 118.353 120.500 0.179 0.000 2.377 34 R HA -0.067 4.275 4.340 0.004 0.000 0.207 34 R C -0.048 176.260 176.300 0.013 0.000 1.075 34 R CA 0.798 56.954 56.100 0.094 0.000 1.035 34 R CB -0.237 30.116 30.300 0.089 0.000 0.857 34 R HN 0.741 9.011 8.270 -0.000 0.000 0.475 35 Y N -1.872 118.473 120.300 0.075 0.000 2.738 35 Y HA 0.217 4.769 4.550 0.003 0.000 0.249 35 Y C 1.262 177.195 175.900 0.054 0.000 1.157 35 Y CA 0.225 58.364 58.100 0.064 0.000 1.189 35 Y CB 1.793 40.308 38.460 0.092 0.000 1.262 35 Y HN 0.171 8.451 8.280 -0.000 0.000 0.554 36 G N 0.093 108.985 108.800 0.154 0.000 2.278 36 G HA2 -0.180 3.782 3.960 0.004 0.000 0.210 36 G HA3 -0.180 3.782 3.960 0.004 0.000 0.210 36 G C 0.482 175.440 174.900 0.096 0.000 1.000 36 G CA -0.350 44.808 45.100 0.098 0.000 0.635 36 G HN 0.516 8.806 8.290 -0.000 0.000 0.495 37 A N 0.527 123.420 122.820 0.122 0.000 2.483 37 A HA 0.561 4.883 4.320 0.004 0.000 0.238 37 A C 0.716 178.358 177.584 0.098 0.000 1.070 37 A CA 1.443 53.533 52.037 0.088 0.000 0.770 37 A CB 0.200 19.246 19.000 0.077 0.000 1.008 37 A HN 0.764 8.914 8.150 -0.000 0.000 0.497 38 T N 2.467 117.074 114.554 0.087 0.000 2.997 38 T HA 0.400 4.753 4.350 0.004 0.000 0.311 38 T C 0.207 174.974 174.700 0.112 0.000 1.079 38 T CA 0.037 62.211 62.100 0.123 0.000 0.982 38 T CB -0.651 68.315 68.868 0.164 0.000 1.032 38 T HN 0.979 9.219 8.240 -0.000 0.000 0.581 39 V N 3.042 123.028 119.914 0.120 0.000 2.567 39 V HA 0.671 4.793 4.120 0.004 0.000 0.289 39 V C -0.269 175.878 176.094 0.089 0.000 1.049 39 V CA -0.785 61.579 62.300 0.107 0.000 0.969 39 V CB 0.815 32.734 31.823 0.160 0.000 0.995 39 V HN 0.668 8.858 8.190 -0.000 0.000 0.471 40 I N 5.265 125.862 120.570 0.044 0.000 2.406 40 I HA 0.438 4.610 4.170 0.004 0.000 0.290 40 I C -0.389 175.800 176.117 0.119 0.000 0.999 40 I CA -0.564 60.777 61.300 0.068 0.000 1.124 40 I CB 1.744 39.728 38.000 -0.026 0.000 1.289 40 I HN 0.504 8.714 8.210 -0.000 0.000 0.441 41 L N 6.562 127.889 121.223 0.172 0.000 2.289 41 L HA 0.529 4.871 4.340 0.004 0.000 0.285 41 L C -0.768 176.236 176.870 0.224 0.000 1.049 41 L CA -0.718 54.224 54.840 0.170 0.000 0.804 41 L CB 1.237 43.401 42.059 0.176 0.000 1.195 41 L HN 0.367 8.597 8.230 -0.000 0.000 0.428 42 L N 2.211 123.533 121.223 0.165 0.000 2.362 42 L HA 0.936 5.278 4.340 0.004 0.000 0.271 42 L C 0.251 177.191 176.870 0.117 0.000 1.002 42 L CA 0.079 55.023 54.840 0.174 0.000 0.818 42 L CB 2.023 44.164 42.059 0.137 0.000 1.298 42 L HN 0.735 8.965 8.230 -0.000 0.000 0.420 43 G N 1.738 110.608 108.800 0.117 0.000 2.488 43 G HA2 0.361 4.323 3.960 0.004 0.000 0.301 43 G HA3 0.361 4.323 3.960 0.004 0.000 0.301 43 G C -0.148 174.794 174.900 0.070 0.000 1.339 43 G CA -0.222 44.919 45.100 0.068 0.000 0.803 43 G HN 0.551 8.841 8.290 -0.000 0.000 0.482 44 R N -0.922 119.603 120.500 0.042 0.000 2.105 44 R HA 0.160 4.502 4.340 0.004 0.000 0.214 44 R C 0.541 176.854 176.300 0.020 0.000 1.091 44 R CA 0.388 56.513 56.100 0.041 0.000 1.007 44 R CB -0.168 30.153 30.300 0.035 0.000 0.912 44 R HN 0.319 8.589 8.270 -0.000 0.000 0.450 45 N N 2.013 120.704 118.700 -0.015 0.000 2.406 45 N HA -0.026 4.716 4.740 0.004 0.000 0.251 45 N C 0.230 175.669 175.510 -0.118 0.000 1.069 45 N CA 0.019 53.040 53.050 -0.048 0.000 0.947 45 N CB 1.504 39.958 38.487 -0.055 0.000 1.111 45 N HN 0.326 8.706 8.380 -0.000 0.000 0.497 46 E N 2.492 122.626 120.200 -0.110 0.000 2.077 46 E HA -0.267 4.085 4.350 0.004 0.000 0.193 46 E C 0.843 177.206 176.600 -0.394 0.000 0.989 46 E CA 1.113 57.377 56.400 -0.227 0.000 0.800 46 E CB 0.172 29.856 29.700 -0.026 0.000 0.746 46 E HN 0.755 9.115 8.360 -0.000 0.000 0.452 47 E N 0.920 120.978 120.200 -0.237 0.000 2.110 47 E HA -0.215 4.137 4.350 0.004 0.000 0.193 47 E C 1.859 178.290 176.600 -0.281 0.000 0.988 47 E CA 1.457 57.715 56.400 -0.237 0.000 0.804 47 E CB -0.059 29.561 29.700 -0.133 0.000 0.745 47 E HN -0.045 8.315 8.360 -0.000 0.000 0.458 48 K N -0.159 120.096 120.400 -0.241 0.000 2.155 48 K HA 0.078 4.400 4.320 0.004 0.000 0.203 48 K C 1.924 178.344 176.600 -0.300 0.000 1.052 48 K CA 1.004 57.160 56.287 -0.217 0.000 0.948 48 K CB -0.160 32.254 32.500 -0.142 0.000 0.728 48 K HN 0.239 8.489 8.250 -0.000 0.000 0.448 49 L N -0.254 120.713 121.223 -0.428 0.000 2.179 49 L HA -0.034 4.308 4.340 0.004 0.000 0.208 49 L C 2.321 178.699 176.870 -0.819 0.000 1.096 49 L CA 0.748 55.252 54.840 -0.560 0.000 0.779 49 L CB -0.259 41.397 42.059 -0.673 0.000 0.922 49 L HN 0.083 8.313 8.230 -0.000 0.000 0.443 50 R N 0.052 119.951 120.500 -1.001 0.000 2.073 50 R HA -0.202 4.140 4.340 0.004 0.000 0.234 50 R C 2.288 178.324 176.300 -0.440 0.000 1.134 50 R CA 1.596 57.194 56.100 -0.837 0.000 0.952 50 R CB -0.363 29.590 30.300 -0.578 0.000 0.850 50 R HN 0.407 8.677 8.270 -0.000 0.000 0.433 51 Q N 0.035 119.597 119.800 -0.397 0.000 2.045 51 Q HA -0.177 4.165 4.340 0.004 0.000 0.206 51 Q C 2.189 177.851 176.000 -0.563 0.000 0.991 51 Q CA 2.052 57.595 55.803 -0.433 0.000 0.851 51 Q CB -0.113 28.415 28.738 -0.349 0.000 0.911 51 Q HN 0.132 8.402 8.270 -0.000 0.000 0.418 52 V N 0.375 120.060 119.914 -0.380 0.000 2.343 52 V HA -0.302 3.820 4.120 0.004 0.000 0.247 52 V C 2.158 178.173 176.094 -0.132 0.000 1.051 52 V CA 1.777 63.932 62.300 -0.242 0.000 1.036 52 V CB -1.043 30.698 31.823 -0.137 0.000 0.654 52 V HN 0.489 8.679 8.190 -0.000 0.000 0.451 53 A N -0.952 121.807 122.820 -0.102 0.000 1.883 53 A HA -0.252 4.071 4.320 0.004 0.000 0.217 53 A C 2.540 180.147 177.584 0.038 0.000 1.186 53 A CA 2.333 54.398 52.037 0.046 0.000 0.624 53 A CB -0.858 18.269 19.000 0.211 0.000 0.822 53 A HN 0.455 8.605 8.150 -0.000 0.000 0.444 54 S N -1.286 114.393 115.700 -0.034 0.000 2.368 54 S HA -0.196 4.276 4.470 0.004 0.000 0.225 54 S C 1.796 176.461 174.600 0.109 0.000 1.030 54 S CA 1.596 59.805 58.200 0.015 0.000 0.999 54 S CB -0.532 62.647 63.200 -0.035 0.000 0.844 54 S HN 0.806 9.116 8.310 -0.000 0.000 0.459 55 H N 0.030 119.101 119.070 0.002 0.000 2.357 55 H HA 0.039 4.597 4.556 0.004 0.000 0.301 55 H C 2.100 177.435 175.328 0.011 0.000 1.082 55 H CA 1.401 57.449 56.048 0.001 0.000 1.342 55 H CB -0.085 29.670 29.762 -0.011 0.000 1.389 55 H HN 0.347 8.627 8.280 -0.000 0.000 0.511 56 I N 0.973 121.628 120.570 0.140 0.000 2.286 56 I HA -0.269 3.903 4.170 0.004 0.000 0.248 56 I C 2.370 178.537 176.117 0.083 0.000 1.115 56 I CA 0.968 62.326 61.300 0.097 0.000 1.392 56 I CB -0.207 37.845 38.000 0.086 0.000 1.065 56 I HN 0.291 8.501 8.210 -0.000 0.000 0.418 57 N N 1.222 119.973 118.700 0.085 0.000 2.084 57 N HA -0.214 4.528 4.740 0.004 0.000 0.190 57 N C 1.719 177.264 175.510 0.058 0.000 1.030 57 N CA 1.605 54.696 53.050 0.069 0.000 0.849 57 N CB -0.052 38.477 38.487 0.070 0.000 1.012 57 N HN 0.337 8.717 8.380 -0.000 0.000 0.423 58 E N 0.010 120.251 120.200 0.069 0.000 2.118 58 E HA -0.177 4.175 4.350 0.004 0.000 0.195 58 E C 1.516 178.132 176.600 0.027 0.000 0.992 58 E CA 1.048 57.475 56.400 0.045 0.000 0.804 58 E CB -0.159 29.567 29.700 0.044 0.000 0.741 58 E HN 0.590 8.950 8.360 -0.000 0.000 0.458 59 E N -0.469 119.752 120.200 0.035 0.000 2.371 59 E HA -0.060 4.293 4.350 0.004 0.000 0.194 59 E C 1.559 178.168 176.600 0.016 0.000 1.012 59 E CA 1.385 57.796 56.400 0.019 0.000 0.860 59 E CB 0.372 30.088 29.700 0.026 0.000 0.811 59 E HN 0.323 8.683 8.360 -0.000 0.000 0.502 60 T N -5.720 108.850 114.554 0.026 0.000 3.147 60 T HA 0.281 4.633 4.350 0.004 0.000 0.275 60 T C 1.462 176.176 174.700 0.023 0.000 0.879 60 T CA 0.478 62.591 62.100 0.023 0.000 0.863 60 T CB 0.862 69.753 68.868 0.038 0.000 1.236 60 T HN 0.182 8.422 8.240 -0.000 0.000 0.582 61 G N 2.886 111.702 108.800 0.028 0.000 2.304 61 G HA2 -0.299 3.663 3.960 0.004 0.000 0.252 61 G HA3 -0.299 3.663 3.960 0.004 0.000 0.252 61 G C 0.181 175.099 174.900 0.029 0.000 1.014 61 G CA 0.200 45.315 45.100 0.024 0.000 0.619 61 G HN 0.987 9.277 8.290 -0.000 0.000 0.525 62 R N 0.507 121.029 120.500 0.037 0.000 2.312 62 R HA 0.691 5.033 4.340 0.004 0.000 0.311 62 R C -0.158 176.176 176.300 0.056 0.000 1.004 62 R CA -0.708 55.417 56.100 0.042 0.000 0.902 62 R CB 1.215 31.542 30.300 0.044 0.000 1.073 62 R HN 0.306 8.576 8.270 -0.000 0.000 0.457 63 Q N 3.541 123.374 119.800 0.054 0.000 2.303 63 Q HA 0.314 4.657 4.340 0.004 0.000 0.257 63 Q C -2.143 173.904 176.000 0.079 0.000 0.941 63 Q CA -2.138 53.709 55.803 0.073 0.000 0.931 63 Q CB 1.240 30.020 28.738 0.070 0.000 1.215 63 Q HN 0.454 8.724 8.270 -0.000 0.000 0.437 64 P HA 0.056 4.476 4.420 -0.000 0.000 0.274 64 P C -1.135 176.225 177.300 0.100 0.000 1.237 64 P CA -0.307 62.866 63.100 0.121 0.000 0.793 64 P CB 0.644 32.427 31.700 0.137 0.000 0.977 65 Q N 0.447 120.284 119.800 0.062 0.000 2.259 65 Q HA 0.342 4.684 4.340 0.004 0.000 0.249 65 Q C -0.871 175.064 176.000 -0.110 0.000 0.914 65 Q CA -0.395 55.320 55.803 -0.146 0.000 0.904 65 Q CB 0.873 29.544 28.738 -0.113 0.000 1.213 65 Q HN 0.519 8.789 8.270 -0.000 0.000 0.428 66 W N 2.120 123.226 121.300 -0.323 0.000 2.647 66 W HA 0.748 5.411 4.660 0.003 0.000 0.353 66 W C -1.731 174.454 176.519 -0.557 0.000 1.080 66 W CA -0.949 56.232 57.345 -0.273 0.000 1.208 66 W CB 0.636 30.019 29.460 -0.127 0.000 1.396 66 W HN 0.349 8.529 8.180 -0.000 0.000 0.573 67 F N 2.223 122.325 119.950 0.253 0.000 2.578 67 F HA 0.541 5.070 4.527 0.004 0.000 0.311 67 F C -0.089 175.835 175.800 0.206 0.000 1.094 67 F CA -1.190 56.902 58.000 0.154 0.000 0.923 67 F CB 1.738 40.772 39.000 0.057 0.000 1.230 67 F HN 0.103 8.403 8.300 -0.000 0.000 0.450 68 I N 3.494 124.279 120.570 0.359 0.000 2.428 68 I HA 0.539 4.711 4.170 0.004 0.000 0.296 68 I C -1.199 175.023 176.117 0.175 0.000 0.985 68 I CA -0.784 60.657 61.300 0.235 0.000 1.260 68 I CB 1.767 39.883 38.000 0.193 0.000 1.389 68 I HN 0.380 8.590 8.210 -0.000 0.000 0.484 69 L N 5.922 127.222 121.223 0.129 0.000 2.710 69 L HA 0.357 4.700 4.340 0.004 0.000 0.262 69 L C -1.586 175.330 176.870 0.076 0.000 0.940 69 L CA -0.250 54.646 54.840 0.093 0.000 0.944 69 L CB 1.683 43.793 42.059 0.085 0.000 1.348 69 L HN 0.444 8.674 8.230 -0.000 0.000 0.425 70 D N 4.554 124.992 120.400 0.062 0.000 2.412 70 D HA 0.317 4.959 4.640 0.004 0.000 0.224 70 D C 1.007 177.338 176.300 0.051 0.000 1.093 70 D CA -0.170 53.862 54.000 0.054 0.000 0.850 70 D CB 1.087 41.915 40.800 0.048 0.000 1.046 70 D HN 0.648 9.018 8.370 -0.000 0.000 0.507 71 L N 3.223 124.478 121.223 0.054 0.000 2.201 71 L HA -0.136 4.206 4.340 0.004 0.000 0.212 71 L C 2.102 179.002 176.870 0.050 0.000 1.105 71 L CA 0.337 55.209 54.840 0.053 0.000 0.775 71 L CB -0.230 41.865 42.059 0.059 0.000 0.913 71 L HN 0.419 8.649 8.230 -0.000 0.000 0.440 72 L N 0.037 121.288 121.223 0.048 0.000 2.131 72 L HA -0.165 4.177 4.340 0.004 0.000 0.210 72 L C 2.191 179.088 176.870 0.045 0.000 1.092 72 L CA 2.427 57.295 54.840 0.046 0.000 0.759 72 L CB -0.480 41.605 42.059 0.043 0.000 0.903 72 L HN 0.442 8.672 8.230 -0.000 0.000 0.435 73 T N -5.216 109.363 114.554 0.043 0.000 3.016 73 T HA 0.149 4.501 4.350 0.004 0.000 0.271 73 T C 0.770 175.493 174.700 0.038 0.000 0.968 73 T CA 0.068 62.191 62.100 0.040 0.000 0.891 73 T CB -1.461 67.429 68.868 0.037 0.000 1.149 73 T HN 0.382 8.622 8.240 -0.000 0.000 0.524 74 C N 3.746 123.069 119.300 0.039 0.000 2.679 74 C HA 0.680 5.142 4.460 0.004 0.000 0.417 74 C C 1.176 176.185 174.990 0.031 0.000 1.302 74 C CA -0.258 58.780 59.018 0.034 0.000 1.973 74 C CB -0.257 27.502 27.740 0.033 0.000 2.715 74 C HN 0.641 8.871 8.230 -0.000 0.000 0.628 75 T N -0.078 114.491 114.554 0.025 0.000 2.910 75 T HA 0.344 4.696 4.350 0.004 0.000 0.279 75 T C 1.033 175.740 174.700 0.011 0.000 0.989 75 T CA 0.204 62.318 62.100 0.024 0.000 0.968 75 T CB 1.163 70.045 68.868 0.023 0.000 1.135 75 T HN 0.896 9.136 8.240 -0.000 0.000 0.562 76 S N -0.799 114.908 115.700 0.012 0.000 2.382 76 S HA -0.142 4.330 4.470 0.004 0.000 0.228 76 S C 1.856 176.446 174.600 -0.017 0.000 1.027 76 S CA 1.692 59.887 58.200 -0.009 0.000 0.991 76 S CB -0.657 62.546 63.200 0.004 0.000 0.823 76 S HN 0.786 9.096 8.310 -0.000 0.000 0.469 77 E N 0.388 120.586 120.200 -0.003 0.000 2.046 77 E HA -0.112 4.240 4.350 0.004 0.000 0.190 77 E C 1.864 178.459 176.600 -0.008 0.000 0.982 77 E CA 0.862 57.259 56.400 -0.005 0.000 0.800 77 E CB -0.122 29.580 29.700 0.003 0.000 0.756 77 E HN 0.417 8.777 8.360 -0.000 0.000 0.449 78 N N 0.463 119.162 118.700 -0.000 0.000 2.096 78 N HA -0.210 4.532 4.740 0.004 0.000 0.195 78 N C 1.771 177.273 175.510 -0.013 0.000 1.017 78 N CA 1.371 54.423 53.050 0.002 0.000 0.870 78 N CB -0.689 37.807 38.487 0.014 0.000 1.024 78 N HN 0.273 8.653 8.380 -0.000 0.000 0.434 79 C N 0.352 119.638 119.300 -0.024 0.000 2.464 79 C HA 0.031 4.493 4.460 0.004 0.000 0.278 79 C C 2.592 177.546 174.990 -0.061 0.000 1.375 79 C CA 0.103 59.094 59.018 -0.045 0.000 1.761 79 C CB -0.824 26.881 27.740 -0.058 0.000 1.944 79 C HN 0.505 8.735 8.230 -0.000 0.000 0.509 80 Q N 0.078 119.848 119.800 -0.050 0.000 2.123 80 Q HA -0.141 4.201 4.340 0.004 0.000 0.196 80 Q C 2.235 178.204 176.000 -0.052 0.000 0.958 80 Q CA 1.051 56.822 55.803 -0.052 0.000 0.841 80 Q CB -0.141 28.574 28.738 -0.037 0.000 0.915 80 Q HN 0.666 8.936 8.270 -0.000 0.000 0.455 81 Q N 0.365 120.142 119.800 -0.038 0.000 2.135 81 Q HA -0.202 4.140 4.340 0.004 0.000 0.204 81 Q C 1.986 177.948 176.000 -0.064 0.000 0.981 81 Q CA 1.139 56.921 55.803 -0.034 0.000 0.856 81 Q CB -0.080 28.651 28.738 -0.012 0.000 0.902 81 Q HN 0.250 8.520 8.270 -0.000 0.000 0.425 82 L N 0.230 121.401 121.223 -0.087 0.000 1.976 82 L HA -0.156 4.186 4.340 0.004 0.000 0.209 82 L C 2.193 178.918 176.870 -0.241 0.000 1.071 82 L CA 2.071 56.808 54.840 -0.171 0.000 0.746 82 L CB -0.832 41.134 42.059 -0.155 0.000 0.890 82 L HN 0.166 8.396 8.230 -0.000 0.000 0.432 83 A N -1.177 121.537 122.820 -0.178 0.000 1.927 83 A HA -0.343 3.979 4.320 0.004 0.000 0.220 83 A C 2.199 179.703 177.584 -0.134 0.000 1.185 83 A CA 2.274 54.212 52.037 -0.166 0.000 0.639 83 A CB -0.746 18.185 19.000 -0.115 0.000 0.820 83 A HN 0.681 8.831 8.150 -0.000 0.000 0.451 84 Q N -1.196 118.545 119.800 -0.097 0.000 2.020 84 Q HA -0.178 4.164 4.340 0.004 0.000 0.202 84 Q C 2.415 178.381 176.000 -0.058 0.000 0.982 84 Q CA 1.805 57.572 55.803 -0.061 0.000 0.838 84 Q CB -0.172 28.543 28.738 -0.038 0.000 0.899 84 Q HN 0.638 8.908 8.270 -0.000 0.000 0.423 85 R N 0.202 120.655 120.500 -0.079 0.000 2.119 85 R HA -0.180 4.162 4.340 0.004 0.000 0.246 85 R C 2.165 178.436 176.300 -0.050 0.000 1.146 85 R CA 1.599 57.675 56.100 -0.040 0.000 0.962 85 R CB -0.327 29.959 30.300 -0.023 0.000 0.863 85 R HN 0.295 8.565 8.270 -0.000 0.000 0.442 86 I N -0.153 120.270 120.570 -0.243 0.000 2.179 86 I HA -0.294 3.878 4.170 0.004 0.000 0.242 86 I C 2.483 178.650 176.117 0.084 0.000 1.088 86 I CA 1.298 62.510 61.300 -0.146 0.000 1.357 86 I CB -0.458 37.351 38.000 -0.318 0.000 1.051 86 I HN 0.276 8.486 8.210 -0.000 0.000 0.409 87 A N 0.574 123.397 122.820 0.005 0.000 1.917 87 A HA -0.254 4.068 4.320 0.004 0.000 0.219 87 A C 2.510 180.126 177.584 0.053 0.000 1.182 87 A CA 2.318 54.373 52.037 0.031 0.000 0.633 87 A CB -1.276 17.720 19.000 -0.007 0.000 0.819 87 A HN 0.416 8.566 8.150 -0.000 0.000 0.448 88 V N 0.414 120.353 119.914 0.042 0.000 2.255 88 V HA -0.339 3.783 4.120 0.004 0.000 0.247 88 V C 1.645 177.744 176.094 0.008 0.000 1.051 88 V CA 2.893 65.208 62.300 0.024 0.000 1.018 88 V CB -1.128 30.707 31.823 0.020 0.000 0.641 88 V HN 0.694 8.884 8.190 -0.000 0.000 0.445 89 N N -1.537 117.186 118.700 0.039 0.000 2.457 89 N HA 0.096 4.838 4.740 0.004 0.000 0.180 89 N C -0.688 174.563 175.510 -0.431 0.000 1.050 89 N CA 0.623 53.580 53.050 -0.156 0.000 0.906 89 N CB 0.002 38.421 38.487 -0.114 0.000 0.968 89 N HN 0.664 9.044 8.380 -0.000 0.000 0.445 90 Y N -0.915 119.389 120.300 0.007 0.000 2.457 90 Y HA 0.300 4.852 4.550 0.003 0.000 0.343 90 Y C -1.837 174.053 175.900 -0.017 0.000 0.994 90 Y CA -2.342 55.757 58.100 -0.002 0.000 1.031 90 Y CB 1.825 40.286 38.460 0.001 0.000 1.246 90 Y HN -0.187 8.093 8.280 -0.000 0.000 0.449 91 P HA -0.085 4.335 4.420 -0.000 0.000 0.219 91 P C 0.050 177.379 177.300 0.048 0.000 1.150 91 P CA 1.465 64.595 63.100 0.050 0.000 0.814 91 P CB 1.022 32.740 31.700 0.030 0.000 0.787 92 R N -1.391 119.150 120.500 0.068 0.000 3.061 92 R HA 0.418 4.760 4.340 0.004 0.000 0.265 92 R C -2.054 174.243 176.300 -0.005 0.000 1.003 92 R CA -0.766 55.344 56.100 0.017 0.000 0.871 92 R CB 0.081 30.378 30.300 -0.005 0.000 1.458 92 R HN -0.040 8.230 8.270 -0.000 0.000 0.431 93 L N 1.260 122.449 121.223 -0.056 0.000 2.406 93 L HA 0.404 4.746 4.340 0.004 0.000 0.272 93 L C -0.131 176.678 176.870 -0.101 0.000 0.980 93 L CA -0.644 54.136 54.840 -0.099 0.000 0.831 93 L CB 2.354 44.329 42.059 -0.139 0.000 1.253 93 L HN 0.644 8.874 8.230 -0.000 0.000 0.406 94 D N 2.111 122.449 120.400 -0.103 0.000 2.346 94 D HA 0.167 4.810 4.640 0.004 0.000 0.206 94 D C 0.699 176.909 176.300 -0.150 0.000 1.001 94 D CA 0.479 54.412 54.000 -0.112 0.000 0.871 94 D CB 1.541 42.284 40.800 -0.095 0.000 0.943 94 D HN 0.647 9.017 8.370 -0.000 0.000 0.518 95 G N -0.150 108.549 108.800 -0.170 0.000 2.720 95 G HA2 0.476 4.438 3.960 0.004 0.000 0.295 95 G HA3 0.476 4.438 3.960 0.004 0.000 0.295 95 G C -1.619 173.157 174.900 -0.207 0.000 1.437 95 G CA -0.390 44.590 45.100 -0.200 0.000 0.886 95 G HN -0.076 8.214 8.290 -0.000 0.000 0.509 96 V N 1.551 121.321 119.914 -0.239 0.000 2.524 96 V HA 0.497 4.620 4.120 0.004 0.000 0.297 96 V C -0.894 174.999 176.094 -0.336 0.000 1.035 96 V CA -0.681 61.431 62.300 -0.314 0.000 0.867 96 V CB 1.526 33.093 31.823 -0.427 0.000 1.004 96 V HN 0.793 8.983 8.190 -0.000 0.000 0.426 97 L N 4.904 125.995 121.223 -0.221 0.000 2.276 97 L HA 0.592 4.934 4.340 0.004 0.000 0.286 97 L C -0.303 176.473 176.870 -0.157 0.000 1.024 97 L CA 0.099 54.878 54.840 -0.102 0.000 0.826 97 L CB 0.717 42.865 42.059 0.150 0.000 1.211 97 L HN 0.656 8.886 8.230 -0.000 0.000 0.422 98 H N 4.796 123.815 119.070 -0.086 0.000 2.846 98 H HA 0.284 4.842 4.556 0.004 0.000 0.278 98 H C 0.627 175.990 175.328 0.059 0.000 1.117 98 H CA 0.178 56.199 56.048 -0.044 0.000 1.406 98 H CB 0.592 30.278 29.762 -0.126 0.000 1.445 98 H HN 0.710 8.990 8.280 -0.000 0.000 0.469 99 N N 2.845 121.658 118.700 0.189 0.000 2.266 99 N HA 0.043 4.785 4.740 0.004 0.000 0.217 99 N C 0.234 175.831 175.510 0.146 0.000 1.211 99 N CA 0.014 53.165 53.050 0.169 0.000 0.881 99 N CB 0.600 39.169 38.487 0.136 0.000 1.153 99 N HN 0.509 8.889 8.380 -0.000 0.000 0.489 100 A N 0.728 123.630 122.820 0.137 0.000 2.561 100 A HA 0.492 4.814 4.320 0.004 0.000 0.234 100 A C 0.517 178.176 177.584 0.126 0.000 1.055 100 A CA 0.825 52.931 52.037 0.115 0.000 0.756 100 A CB -0.142 18.923 19.000 0.108 0.000 0.986 100 A HN 0.403 8.553 8.150 -0.000 0.000 0.505 101 G N -0.170 108.700 108.800 0.116 0.000 2.720 101 G HA2 0.554 4.516 3.960 0.004 0.000 0.295 101 G HA3 0.554 4.516 3.960 0.004 0.000 0.295 101 G C -1.882 173.091 174.900 0.121 0.000 1.437 101 G CA -0.557 44.628 45.100 0.142 0.000 0.886 101 G HN 0.962 9.252 8.290 -0.000 0.000 0.509 102 L N 1.538 122.845 121.223 0.139 0.000 2.356 102 L HA 0.524 4.867 4.340 0.004 0.000 0.277 102 L C 0.996 177.944 176.870 0.131 0.000 0.996 102 L CA -0.890 54.010 54.840 0.100 0.000 0.822 102 L CB 1.717 43.822 42.059 0.076 0.000 1.256 102 L HN 0.596 8.826 8.230 -0.000 0.000 0.413 103 L N 3.634 124.853 121.223 -0.007 0.000 2.005 103 L HA 0.187 4.529 4.340 0.004 0.000 0.207 103 L C 1.173 178.010 176.870 -0.055 0.000 1.072 103 L CA 1.496 56.221 54.840 -0.192 0.000 0.744 103 L CB -0.285 41.634 42.059 -0.233 0.000 0.895 103 L HN 0.958 9.188 8.230 -0.000 0.000 0.433 104 G N 0.021 108.808 108.800 -0.021 0.000 2.752 104 G HA2 -0.259 3.703 3.960 0.004 0.000 0.234 104 G HA3 -0.259 3.703 3.960 0.004 0.000 0.234 104 G C -0.654 174.229 174.900 -0.029 0.000 1.367 104 G CA -0.170 44.930 45.100 0.001 0.000 0.879 104 G HN 0.396 8.686 8.290 -0.000 0.000 0.563 105 D N 0.350 120.748 120.400 -0.003 0.000 2.472 105 D HA 0.291 4.934 4.640 0.004 0.000 0.248 105 D C 1.042 177.283 176.300 -0.098 0.000 1.174 105 D CA 0.884 54.861 54.000 -0.038 0.000 0.883 105 D CB 1.198 42.004 40.800 0.010 0.000 1.149 105 D HN 1.217 9.587 8.370 -0.000 0.000 0.488 106 V N 1.995 121.777 119.914 -0.221 0.000 2.320 106 V HA 0.587 4.709 4.120 0.004 0.000 0.265 106 V C 0.017 175.925 176.094 -0.311 0.000 1.048 106 V CA -0.591 61.466 62.300 -0.405 0.000 0.865 106 V CB -0.094 31.254 31.823 -0.792 0.000 1.043 106 V HN 0.782 8.972 8.190 -0.000 0.000 0.474 107 C N 3.422 122.590 119.300 -0.220 0.000 3.176 107 C HA 0.703 5.165 4.460 0.004 0.000 0.343 107 C C -3.024 171.926 174.990 -0.067 0.000 1.332 107 C CA -0.927 58.012 59.018 -0.132 0.000 1.200 107 C CB 0.961 28.651 27.740 -0.084 0.000 1.440 107 C HN 0.647 8.877 8.230 -0.000 0.000 0.458 111 E N 0.975 121.169 120.200 -0.010 0.000 2.460 111 E HA 0.286 4.638 4.350 0.004 0.000 0.200 111 E C 0.246 176.852 176.600 0.009 0.000 1.011 111 E CA -0.155 56.241 56.400 -0.007 0.000 0.912 111 E CB 0.258 29.950 29.700 -0.013 0.000 0.953 111 E HN 0.493 8.853 8.360 -0.000 0.000 0.494 112 Q N 2.274 122.092 119.800 0.030 0.000 2.269 112 Q HA -0.062 4.280 4.340 0.004 0.000 0.300 112 Q C -0.348 175.696 176.000 0.073 0.000 1.070 112 Q CA 0.175 56.030 55.803 0.087 0.000 0.957 112 Q CB 0.278 29.116 28.738 0.166 0.000 1.131 112 Q HN 0.006 8.276 8.270 -0.000 0.000 0.377 113 N N 5.289 124.044 118.700 0.092 0.000 2.422 113 N HA 0.166 4.908 4.740 0.004 0.000 0.264 113 N C -2.192 173.393 175.510 0.125 0.000 1.063 113 N CA -1.918 51.176 53.050 0.075 0.000 0.959 113 N CB 1.310 39.832 38.487 0.058 0.000 1.087 113 N HN 0.368 8.748 8.380 -0.000 0.000 0.483 114 P HA -0.137 4.283 4.420 -0.000 0.000 0.216 114 P C 1.250 178.640 177.300 0.149 0.000 1.153 114 P CA 1.172 64.320 63.100 0.080 0.000 0.848 114 P CB 0.299 31.994 31.700 -0.008 0.000 0.787 115 Q N -0.166 119.694 119.800 0.101 0.000 2.096 115 Q HA -0.150 4.192 4.340 0.004 0.000 0.204 115 Q C 1.877 177.952 176.000 0.125 0.000 0.982 115 Q CA 1.702 57.564 55.803 0.099 0.000 0.850 115 Q CB -0.406 28.370 28.738 0.064 0.000 0.901 115 Q HN 0.046 8.316 8.270 -0.000 0.000 0.422 116 V N 0.128 120.121 119.914 0.131 0.000 2.323 116 V HA -0.237 3.885 4.120 0.004 0.000 0.244 116 V C 1.964 178.154 176.094 0.159 0.000 1.041 116 V CA 1.716 64.087 62.300 0.119 0.000 1.025 116 V CB -1.003 30.879 31.823 0.098 0.000 0.656 116 V HN 0.625 8.815 8.190 -0.000 0.000 0.451 117 W N 1.293 122.613 121.300 0.034 0.000 2.317 117 W HA -0.266 4.397 4.660 0.004 0.000 0.318 117 W C 2.273 178.818 176.519 0.043 0.000 1.227 117 W CA 2.378 59.748 57.345 0.042 0.000 1.269 117 W CB -0.452 29.025 29.460 0.028 0.000 1.155 117 W HN 0.343 8.523 8.180 -0.000 0.000 0.484 118 Q N -0.350 119.672 119.800 0.370 0.000 2.167 118 Q HA -0.175 4.167 4.340 0.004 0.000 0.202 118 Q C 1.709 177.776 176.000 0.110 0.000 0.970 118 Q CA 1.584 57.536 55.803 0.248 0.000 0.855 118 Q CB -0.346 28.517 28.738 0.208 0.000 0.911 118 Q HN 0.155 8.425 8.270 -0.000 0.000 0.438 119 D N 0.179 120.635 120.400 0.093 0.000 2.144 119 D HA -0.075 4.567 4.640 0.004 0.000 0.199 119 D C 0.884 177.204 176.300 0.034 0.000 0.984 119 D CA 0.522 54.559 54.000 0.060 0.000 0.834 119 D CB -0.062 40.773 40.800 0.059 0.000 0.955 119 D HN -0.031 8.339 8.370 -0.000 0.000 0.465 123 V N 1.639 121.578 119.914 0.042 0.000 2.302 123 V HA -0.068 4.055 4.120 0.004 0.000 0.243 123 V C 1.459 177.583 176.094 0.049 0.000 1.036 123 V CA 2.043 64.373 62.300 0.050 0.000 1.020 123 V CB -0.483 31.374 31.823 0.056 0.000 0.657 123 V HN 0.325 8.514 8.190 -0.000 0.000 0.453 124 N N -0.243 118.480 118.700 0.038 0.000 2.270 124 N HA -0.074 4.668 4.740 0.004 0.000 0.181 124 N C 1.423 176.945 175.510 0.020 0.000 1.016 124 N CA 1.212 54.282 53.050 0.032 0.000 0.870 124 N CB -0.017 38.473 38.487 0.005 0.000 0.979 124 N HN 0.351 8.731 8.380 -0.000 0.000 0.431 125 V N 0.254 120.176 119.914 0.014 0.000 2.870 125 V HA 0.095 4.217 4.120 0.004 0.000 0.232 125 V C 1.589 177.735 176.094 0.086 0.000 1.161 125 V CA 0.468 62.779 62.300 0.018 0.000 1.204 125 V CB -0.347 31.464 31.823 -0.019 0.000 1.003 125 V HN 0.101 8.291 8.190 -0.000 0.000 0.499 126 N N 1.387 120.141 118.700 0.090 0.000 2.039 126 N HA -0.092 4.650 4.740 0.004 0.000 0.193 126 N C 1.795 177.425 175.510 0.200 0.000 1.044 126 N CA 1.908 55.055 53.050 0.162 0.000 0.847 126 N CB -0.607 37.948 38.487 0.114 0.000 1.030 126 N HN 0.454 8.834 8.380 -0.000 0.000 0.422 127 A N 0.204 123.089 122.820 0.108 0.000 1.930 127 A HA -0.069 4.253 4.320 0.004 0.000 0.217 127 A C 2.344 179.946 177.584 0.030 0.000 1.175 127 A CA 1.764 53.841 52.037 0.065 0.000 0.627 127 A CB -1.009 18.022 19.000 0.053 0.000 0.815 127 A HN 0.300 8.450 8.150 -0.000 0.000 0.443 128 T N -0.304 114.267 114.554 0.028 0.000 2.720 128 T HA -0.034 4.318 4.350 0.004 0.000 0.268 128 T C 0.835 175.505 174.700 -0.051 0.000 1.037 128 T CA 1.139 63.190 62.100 -0.081 0.000 1.144 128 T CB -0.462 68.374 68.868 -0.055 0.000 0.864 128 T HN 0.469 8.709 8.240 -0.000 0.000 0.444 132 T N -0.911 113.637 114.554 -0.009 0.000 2.915 132 T HA -0.172 4.180 4.350 0.004 0.000 0.269 132 T C 1.538 176.199 174.700 -0.065 0.000 1.071 132 T CA 2.173 64.304 62.100 0.052 0.000 1.132 132 T CB -0.110 68.881 68.868 0.206 0.000 0.878 132 T HN 0.500 8.740 8.240 -0.000 0.000 0.479 133 Q N -0.084 119.582 119.800 -0.224 0.000 2.046 133 Q HA 0.045 4.388 4.340 0.004 0.000 0.200 133 Q C 2.650 178.574 176.000 -0.127 0.000 0.975 133 Q CA 1.390 57.071 55.803 -0.203 0.000 0.836 133 Q CB -0.471 28.029 28.738 -0.397 0.000 0.896 133 Q HN 0.706 8.976 8.270 -0.000 0.000 0.428 134 A N 0.324 123.061 122.820 -0.139 0.000 2.076 134 A HA -0.137 4.185 4.320 0.004 0.000 0.220 134 A C 1.754 179.286 177.584 -0.088 0.000 1.160 134 A CA 1.074 53.052 52.037 -0.098 0.000 0.653 134 A CB -0.341 18.602 19.000 -0.096 0.000 0.801 134 A HN 0.395 8.545 8.150 -0.000 0.000 0.455 135 L N -1.016 120.155 121.223 -0.087 0.000 2.616 135 L HA 0.093 4.435 4.340 0.004 0.000 0.229 135 L C 1.932 178.742 176.870 -0.099 0.000 1.110 135 L CA -0.312 54.469 54.840 -0.098 0.000 0.884 135 L CB -0.111 41.882 42.059 -0.109 0.000 1.115 135 L HN 0.217 8.447 8.230 -0.000 0.000 0.481 136 L N 1.322 122.495 121.223 -0.085 0.000 2.043 136 L HA -0.131 4.211 4.340 0.004 0.000 0.212 136 L C -0.070 176.745 176.870 -0.092 0.000 1.075 136 L CA 2.424 57.202 54.840 -0.103 0.000 0.752 136 L CB -1.945 40.084 42.059 -0.048 0.000 0.891 136 L HN 0.119 8.349 8.230 -0.000 0.000 0.432 137 P HA -0.171 4.249 4.420 -0.000 0.000 0.211 137 P C 2.297 179.565 177.300 -0.052 0.000 1.179 137 P CA 1.214 64.291 63.100 -0.038 0.000 0.910 137 P CB -0.026 31.658 31.700 -0.027 0.000 0.785 138 L N -1.390 119.796 121.223 -0.063 0.000 2.051 138 L HA -0.230 4.112 4.340 0.004 0.000 0.214 138 L C 2.567 179.391 176.870 -0.076 0.000 1.076 138 L CA 1.445 56.247 54.840 -0.063 0.000 0.758 138 L CB -0.846 41.166 42.059 -0.079 0.000 0.890 138 L HN -0.010 8.220 8.230 -0.000 0.000 0.433 139 L N -0.909 120.252 121.223 -0.104 0.000 2.056 139 L HA -0.244 4.098 4.340 0.004 0.000 0.207 139 L C 2.427 179.231 176.870 -0.111 0.000 1.078 139 L CA 1.167 55.932 54.840 -0.125 0.000 0.749 139 L CB -0.199 41.758 42.059 -0.171 0.000 0.901 139 L HN 0.303 8.533 8.230 -0.000 0.000 0.433 140 L N -0.512 120.650 121.223 -0.100 0.000 2.201 140 L HA -0.187 4.155 4.340 0.004 0.000 0.212 140 L C 1.555 178.402 176.870 -0.038 0.000 1.105 140 L CA 0.955 55.754 54.840 -0.068 0.000 0.775 140 L CB -0.164 41.876 42.059 -0.031 0.000 0.913 140 L HN 0.125 8.355 8.230 -0.000 0.000 0.440 141 K N -0.110 120.268 120.400 -0.038 0.000 2.790 141 K HA 0.031 4.353 4.320 0.004 0.000 0.229 141 K C 0.283 176.865 176.600 -0.029 0.000 1.040 141 K CA -0.203 56.069 56.287 -0.025 0.000 1.211 141 K CB 0.062 32.551 32.500 -0.018 0.000 1.002 141 K HN 0.090 8.340 8.250 -0.000 0.000 0.479 142 S N -0.539 115.137 115.700 -0.040 0.000 2.607 142 S HA 0.158 4.630 4.470 0.004 0.000 0.303 142 S C 0.486 175.063 174.600 -0.039 0.000 1.086 142 S CA -0.893 57.281 58.200 -0.044 0.000 0.995 142 S CB 1.301 64.462 63.200 -0.065 0.000 1.084 142 S HN 0.117 8.427 8.310 -0.000 0.000 0.507 143 D N 2.021 122.400 120.400 -0.036 0.000 2.123 143 D HA 0.085 4.727 4.640 0.004 0.000 0.196 143 D C 0.743 177.018 176.300 -0.040 0.000 0.992 143 D CA 1.710 55.691 54.000 -0.032 0.000 0.833 143 D CB -0.212 40.570 40.800 -0.031 0.000 0.954 143 D HN 0.747 9.117 8.370 -0.000 0.000 0.455 144 A N 0.403 123.189 122.820 -0.056 0.000 3.044 144 A HA 0.536 4.858 4.320 0.004 0.000 0.289 144 A C 0.353 177.882 177.584 -0.092 0.000 1.236 144 A CA -0.257 51.739 52.037 -0.068 0.000 0.871 144 A CB 0.297 19.254 19.000 -0.072 0.000 1.424 144 A HN 0.089 8.239 8.150 -0.000 0.000 0.564 145 G N 0.712 109.455 108.800 -0.095 0.000 2.305 145 G HA2 0.414 4.376 3.960 0.004 0.000 0.243 145 G HA3 0.414 4.376 3.960 0.004 0.000 0.243 145 G C 0.174 174.994 174.900 -0.134 0.000 1.288 145 G CA 0.696 45.723 45.100 -0.122 0.000 0.901 145 G HN 0.873 9.163 8.290 -0.000 0.000 0.516 146 S N 1.160 116.767 115.700 -0.154 0.000 2.478 146 S HA 0.532 5.004 4.470 0.004 0.000 0.312 146 S C -0.857 173.641 174.600 -0.169 0.000 1.094 146 S CA -0.720 57.387 58.200 -0.156 0.000 1.081 146 S CB 1.048 64.139 63.200 -0.180 0.000 1.007 146 S HN 0.609 8.919 8.310 -0.000 0.000 0.475 147 L N 6.927 128.062 121.223 -0.147 0.000 2.349 147 L HA 0.815 5.157 4.340 0.004 0.000 0.278 147 L C -0.916 175.861 176.870 -0.156 0.000 0.996 147 L CA -0.581 54.141 54.840 -0.198 0.000 0.825 147 L CB 1.571 43.520 42.059 -0.183 0.000 1.243 147 L HN 0.478 8.708 8.230 -0.000 0.000 0.412 148 V N 3.206 122.991 119.914 -0.215 0.000 2.656 148 V HA 0.678 4.800 4.120 0.004 0.000 0.307 148 V C -1.016 174.972 176.094 -0.176 0.000 1.051 148 V CA -0.449 61.798 62.300 -0.087 0.000 0.893 148 V CB 1.728 33.546 31.823 -0.008 0.000 0.999 148 V HN 0.587 8.777 8.190 -0.000 0.000 0.426 149 F N 1.792 121.805 119.950 0.105 0.000 2.457 149 F HA 0.743 5.272 4.527 0.003 0.000 0.330 149 F C 0.901 176.751 175.800 0.084 0.000 1.069 149 F CA -0.577 57.497 58.000 0.123 0.000 1.009 149 F CB 2.065 41.108 39.000 0.071 0.000 1.276 149 F HN 0.510 8.810 8.300 -0.000 0.000 0.492 150 T N 0.734 115.467 114.554 0.297 0.000 2.756 150 T HA 0.405 4.758 4.350 0.004 0.000 0.290 150 T C -0.169 174.603 174.700 0.121 0.000 0.985 150 T CA -0.490 61.725 62.100 0.192 0.000 0.955 150 T CB 1.425 70.414 68.868 0.202 0.000 0.930 150 T HN 0.580 8.820 8.240 -0.000 0.000 0.451 151 S N 2.280 118.017 115.700 0.062 0.000 2.618 151 S HA 0.901 5.374 4.470 0.004 0.000 0.284 151 S C -0.365 174.217 174.600 -0.031 0.000 1.102 151 S CA -0.511 57.670 58.200 -0.030 0.000 0.984 151 S CB 1.365 64.519 63.200 -0.077 0.000 1.280 151 S HN 0.743 9.053 8.310 -0.000 0.000 0.525 152 S N -0.944 114.700 115.700 -0.093 0.000 2.595 152 S HA 0.320 4.792 4.470 0.004 0.000 0.270 152 S C 0.716 175.240 174.600 -0.126 0.000 1.145 152 S CA 0.276 58.431 58.200 -0.076 0.000 0.825 152 S CB 0.623 63.785 63.200 -0.064 0.000 1.107 152 S HN 1.030 9.340 8.310 -0.000 0.000 0.461 153 S N 1.388 117.021 115.700 -0.111 0.000 2.400 153 S HA -0.119 4.354 4.470 0.004 0.000 0.232 153 S C 1.783 176.300 174.600 -0.138 0.000 1.025 153 S CA 1.709 59.839 58.200 -0.118 0.000 0.993 153 S CB -1.249 61.897 63.200 -0.090 0.000 0.808 153 S HN 1.630 9.940 8.310 -0.000 0.000 0.478 154 V N -0.830 118.974 119.914 -0.184 0.000 3.636 154 V HA 0.503 4.625 4.120 0.004 0.000 0.279 154 V C 1.622 177.717 176.094 0.001 0.000 1.263 154 V CA 0.626 62.862 62.300 -0.106 0.000 1.182 154 V CB -0.935 30.739 31.823 -0.248 0.000 0.955 154 V HN 0.482 8.672 8.190 -0.000 0.000 0.443 155 G N 0.287 108.978 108.800 -0.183 0.000 3.088 155 G HA2 0.190 4.152 3.960 0.004 0.000 0.217 155 G HA3 0.190 4.152 3.960 0.004 0.000 0.217 155 G C 1.390 175.743 174.900 -0.911 0.000 1.159 155 G CA -0.099 44.771 45.100 -0.383 0.000 0.760 155 G HN 0.507 8.797 8.290 -0.000 0.000 0.550 156 R N -1.136 119.019 120.500 -0.575 0.000 2.342 156 R HA 0.345 4.687 4.340 0.004 0.000 0.204 156 R C 0.575 176.751 176.300 -0.206 0.000 0.882 156 R CA 0.075 55.862 56.100 -0.521 0.000 1.041 156 R CB 0.580 30.718 30.300 -0.270 0.000 1.188 156 R HN 0.291 8.561 8.270 -0.000 0.000 0.598 157 Q N -0.195 119.624 119.800 0.031 0.000 2.281 157 Q HA 0.433 4.775 4.340 0.004 0.000 0.263 157 Q C -1.278 174.874 176.000 0.252 0.000 0.989 157 Q CA -0.621 55.314 55.803 0.219 0.000 0.852 157 Q CB 1.984 30.781 28.738 0.098 0.000 1.337 157 Q HN 0.288 8.558 8.270 -0.000 0.000 0.418 158 G N 3.098 112.073 108.800 0.293 0.000 2.372 158 G HA2 0.528 4.490 3.960 0.004 0.000 0.283 158 G HA3 0.528 4.490 3.960 0.004 0.000 0.283 158 G C -0.612 174.404 174.900 0.193 0.000 1.177 158 G CA -0.300 44.931 45.100 0.218 0.000 0.842 158 G HN 0.541 8.831 8.290 -0.000 0.000 0.503 159 R N 1.368 122.030 120.500 0.271 0.000 2.787 159 R HA 0.566 4.908 4.340 0.004 0.000 0.271 159 R C 1.366 177.909 176.300 0.404 0.000 0.993 159 R CA -0.231 56.075 56.100 0.343 0.000 0.993 159 R CB 1.675 32.222 30.300 0.411 0.000 1.155 159 R HN 0.517 8.787 8.270 -0.000 0.000 0.486 160 A N 1.837 124.818 122.820 0.268 0.000 1.882 160 A HA -0.307 4.015 4.320 0.004 0.000 0.220 160 A C 1.213 178.856 177.584 0.099 0.000 1.253 160 A CA 2.426 54.557 52.037 0.156 0.000 0.664 160 A CB -0.801 18.261 19.000 0.102 0.000 0.838 160 A HN 0.876 9.026 8.150 -0.000 0.000 0.460 161 N N -2.201 116.480 118.700 -0.032 0.000 2.336 161 N HA 0.126 4.869 4.740 0.004 0.000 0.189 161 N C -0.338 174.985 175.510 -0.312 0.000 1.113 161 N CA -0.175 52.740 53.050 -0.224 0.000 0.858 161 N CB 0.089 38.356 38.487 -0.367 0.000 0.970 161 N HN 0.671 9.051 8.380 -0.000 0.000 0.471 162 W N 0.260 121.613 121.300 0.089 0.000 2.215 162 W HA 0.541 5.203 4.660 0.004 0.000 0.342 162 W C 1.088 177.680 176.519 0.122 0.000 1.237 162 W CA -0.418 56.994 57.345 0.113 0.000 1.283 162 W CB 0.693 30.251 29.460 0.164 0.000 1.131 162 W HN -0.104 8.076 8.180 -0.000 0.000 0.606 163 G N -0.470 108.525 108.800 0.325 0.000 3.495 163 G HA2 0.356 4.318 3.960 0.004 0.000 0.178 163 G HA3 0.356 4.318 3.960 0.004 0.000 0.178 163 G C 0.920 175.775 174.900 -0.074 0.000 1.262 163 G CA 0.132 45.389 45.100 0.262 0.000 1.096 163 G HN 0.607 8.897 8.290 -0.000 0.000 0.727 164 A N -0.738 121.775 122.820 -0.511 0.000 1.997 164 A HA -0.126 4.196 4.320 0.004 0.000 0.221 164 A C 2.120 179.437 177.584 -0.445 0.000 1.172 164 A CA 2.548 53.852 52.037 -1.221 0.000 0.645 164 A CB -0.789 17.643 19.000 -0.946 0.000 0.813 164 A HN 0.733 8.883 8.150 -0.000 0.000 0.454 165 Y N 0.089 120.275 120.300 -0.190 0.000 2.220 165 Y HA 0.081 4.633 4.550 0.004 0.000 0.291 165 Y C 2.639 178.543 175.900 0.006 0.000 1.129 165 Y CA 0.938 59.014 58.100 -0.039 0.000 1.161 165 Y CB -0.557 37.977 38.460 0.123 0.000 0.997 165 Y HN 0.311 8.591 8.280 -0.000 0.000 0.522 166 A N 0.759 123.637 122.820 0.096 0.000 1.865 166 A HA -0.171 4.151 4.320 0.004 0.000 0.217 166 A C 2.451 180.051 177.584 0.027 0.000 1.191 166 A CA 2.224 54.303 52.037 0.070 0.000 0.623 166 A CB -1.634 17.486 19.000 0.200 0.000 0.826 166 A HN 0.595 8.745 8.150 -0.000 0.000 0.444 167 A N 0.277 123.047 122.820 -0.084 0.000 1.948 167 A HA -0.175 4.147 4.320 0.004 0.000 0.220 167 A C 2.518 180.043 177.584 -0.098 0.000 1.177 167 A CA 2.753 54.718 52.037 -0.119 0.000 0.636 167 A CB -1.057 17.846 19.000 -0.162 0.000 0.815 167 A HN 1.119 9.269 8.150 -0.000 0.000 0.449 168 S N -1.057 114.526 115.700 -0.196 0.000 2.406 168 S HA -0.076 4.396 4.470 0.004 0.000 0.228 168 S C 1.764 176.269 174.600 -0.159 0.000 1.020 168 S CA 1.227 59.319 58.200 -0.180 0.000 0.965 168 S CB -0.104 62.972 63.200 -0.205 0.000 0.798 168 S HN 0.407 8.717 8.310 -0.000 0.000 0.488 169 K N 0.678 120.955 120.400 -0.205 0.000 2.186 169 K HA 0.287 4.609 4.320 0.004 0.000 0.202 169 K C 1.525 178.056 176.600 -0.114 0.000 1.052 169 K CA 0.423 56.582 56.287 -0.215 0.000 0.965 169 K CB -0.867 31.419 32.500 -0.356 0.000 0.746 169 K HN 0.431 8.681 8.250 -0.000 0.000 0.457 170 F N 1.713 121.554 119.950 -0.180 0.000 2.095 170 F HA -0.225 4.304 4.527 0.004 0.000 0.298 170 F C 2.347 178.063 175.800 -0.140 0.000 1.104 170 F CA 1.607 59.526 58.000 -0.134 0.000 1.232 170 F CB -0.614 38.328 39.000 -0.097 0.000 0.987 170 F HN 0.023 8.323 8.300 -0.000 0.000 0.475 171 A N -0.853 122.002 122.820 0.058 0.000 1.933 171 A HA -0.174 4.149 4.320 0.004 0.000 0.218 171 A C 2.211 179.716 177.584 -0.132 0.000 1.175 171 A CA 2.187 54.201 52.037 -0.037 0.000 0.628 171 A CB -1.281 17.689 19.000 -0.051 0.000 0.814 171 A HN 0.369 8.519 8.150 -0.000 0.000 0.444 172 T N 0.137 114.595 114.554 -0.161 0.000 2.652 172 T HA -0.146 4.206 4.350 0.004 0.000 0.267 172 T C 1.828 176.328 174.700 -0.334 0.000 1.039 172 T CA 1.519 63.461 62.100 -0.264 0.000 1.153 172 T CB -0.284 68.481 68.868 -0.171 0.000 0.863 172 T HN 0.508 8.748 8.240 -0.000 0.000 0.428 173 E N 0.991 121.045 120.200 -0.242 0.000 2.070 173 E HA -0.051 4.301 4.350 0.004 0.000 0.197 173 E C 1.619 178.094 176.600 -0.209 0.000 1.004 173 E CA 0.799 57.059 56.400 -0.234 0.000 0.805 173 E CB -0.908 28.635 29.700 -0.261 0.000 0.744 173 E HN 0.532 8.892 8.360 -0.000 0.000 0.451 178 V N 2.086 121.982 119.914 -0.029 0.000 2.287 178 V HA -0.254 3.868 4.120 0.004 0.000 0.248 178 V C 2.180 178.301 176.094 0.046 0.000 1.053 178 V CA 2.181 64.478 62.300 -0.006 0.000 1.027 178 V CB -0.510 31.302 31.823 -0.018 0.000 0.646 178 V HN 0.254 8.444 8.190 -0.000 0.000 0.447 179 L N -0.237 121.048 121.223 0.102 0.000 2.046 179 L HA -0.157 4.186 4.340 0.004 0.000 0.208 179 L C 2.687 179.706 176.870 0.248 0.000 1.077 179 L CA 1.524 56.510 54.840 0.243 0.000 0.747 179 L CB -0.784 41.461 42.059 0.311 0.000 0.896 179 L HN 0.361 8.591 8.230 -0.000 0.000 0.432 180 A N -0.181 122.730 122.820 0.152 0.000 1.835 180 A HA -0.257 4.066 4.320 0.004 0.000 0.215 180 A C 1.279 178.915 177.584 0.088 0.000 1.199 180 A CA 1.567 53.678 52.037 0.123 0.000 0.615 180 A CB -0.738 18.303 19.000 0.069 0.000 0.838 180 A HN 0.400 8.550 8.150 -0.000 0.000 0.444 181 D N -0.494 119.931 120.400 0.041 0.000 2.541 181 D HA 0.199 4.842 4.640 0.004 0.000 0.231 181 D C 0.398 176.691 176.300 -0.013 0.000 1.163 181 D CA 0.926 54.932 54.000 0.010 0.000 1.077 181 D CB -0.150 40.646 40.800 -0.006 0.000 1.110 181 D HN 0.601 8.971 8.370 -0.000 0.000 0.499 182 E N 1.748 121.927 120.200 -0.035 0.000 1.249 182 E HA -0.094 4.259 4.350 0.004 0.000 0.209 182 E C -0.667 175.724 176.600 -0.348 0.000 1.023 182 E CA -0.211 56.086 56.400 -0.172 0.000 0.992 182 E CB -0.398 29.201 29.700 -0.168 0.000 4.746 182 E HN 0.299 8.659 8.360 -0.000 0.000 0.661 183 Y N 2.691 123.005 120.300 0.023 0.000 2.944 183 Y HA 0.316 4.867 4.550 0.003 0.000 0.335 183 Y C 1.230 177.137 175.900 0.012 0.000 1.075 183 Y CA -0.668 57.443 58.100 0.019 0.000 1.240 183 Y CB 1.138 39.614 38.460 0.026 0.000 1.167 183 Y HN 0.042 8.322 8.280 -0.000 0.000 0.555 184 Q N 1.165 121.013 119.800 0.080 0.000 1.965 184 Q HA -0.138 4.205 4.340 0.004 0.000 0.200 184 Q C 0.399 176.432 176.000 0.056 0.000 0.981 184 Q CA 1.409 57.242 55.803 0.050 0.000 0.834 184 Q CB 0.045 28.793 28.738 0.016 0.000 0.900 184 Q HN 0.676 8.946 8.270 -0.000 0.000 0.426 185 Q N -0.473 119.359 119.800 0.054 0.000 2.217 185 Q HA 0.230 4.572 4.340 0.004 0.000 0.340 185 Q C 0.554 176.583 176.000 0.049 0.000 0.893 185 Q CA -0.099 55.728 55.803 0.040 0.000 1.142 185 Q CB 0.860 29.613 28.738 0.024 0.000 1.288 185 Q HN 0.180 8.450 8.270 -0.000 0.000 0.426 186 R N -0.902 119.649 120.500 0.086 0.000 2.412 186 R HA 0.383 4.725 4.340 0.004 0.000 0.212 186 R C -0.088 176.238 176.300 0.043 0.000 0.878 186 R CA 0.304 56.459 56.100 0.093 0.000 1.022 186 R CB 1.091 31.511 30.300 0.200 0.000 1.265 186 R HN 0.018 8.288 8.270 -0.000 0.000 0.620 187 L N 0.700 121.952 121.223 0.049 0.000 2.540 187 L HA 0.486 4.828 4.340 0.004 0.000 0.256 187 L C -1.027 175.842 176.870 -0.001 0.000 1.001 187 L CA -1.138 53.687 54.840 -0.026 0.000 0.843 187 L CB 2.548 44.529 42.059 -0.130 0.000 1.436 187 L HN -0.098 8.132 8.230 -0.000 0.000 0.410 188 R N 0.885 121.362 120.500 -0.039 0.000 2.368 188 R HA 0.763 5.105 4.340 0.004 0.000 0.302 188 R C -1.329 174.971 176.300 -0.001 0.000 1.002 188 R CA -0.757 55.330 56.100 -0.022 0.000 0.929 188 R CB 1.873 32.128 30.300 -0.075 0.000 1.073 188 R HN 0.286 8.556 8.270 -0.000 0.000 0.464 189 V N 3.383 123.331 119.914 0.056 0.000 2.577 189 V HA 0.370 4.492 4.120 0.004 0.000 0.294 189 V C -0.745 175.433 176.094 0.141 0.000 1.052 189 V CA -0.949 61.419 62.300 0.113 0.000 0.891 189 V CB 1.475 33.403 31.823 0.176 0.000 1.017 189 V HN 0.851 9.041 8.190 -0.000 0.000 0.436 190 N N 1.848 120.649 118.700 0.168 0.000 2.647 190 N HA 0.625 5.367 4.740 0.004 0.000 0.266 190 N C -1.379 174.252 175.510 0.201 0.000 1.373 190 N CA -0.480 52.657 53.050 0.145 0.000 0.807 190 N CB 2.365 40.979 38.487 0.212 0.000 1.513 190 N HN 0.525 8.905 8.380 -0.000 0.000 0.505 191 C N 0.734 120.098 119.300 0.107 0.000 2.397 191 C HA 0.648 5.110 4.460 0.004 0.000 0.343 191 C C 0.356 175.404 174.990 0.097 0.000 1.188 191 C CA -0.537 58.553 59.018 0.120 0.000 1.992 191 C CB 0.374 28.137 27.740 0.037 0.000 2.358 191 C HN 0.531 8.761 8.230 -0.000 0.000 0.518 192 I N 2.692 123.306 120.570 0.075 0.000 2.406 192 I HA 0.256 4.428 4.170 0.004 0.000 0.290 192 I C -0.490 175.650 176.117 0.039 0.000 0.999 192 I CA -0.107 61.213 61.300 0.034 0.000 1.124 192 I CB 1.396 39.288 38.000 -0.180 0.000 1.289 192 I HN 0.654 8.864 8.210 -0.000 0.000 0.441 193 N N 9.226 127.948 118.700 0.036 0.000 2.500 193 N HA 0.275 5.017 4.740 0.004 0.000 0.236 193 N C -1.714 173.840 175.510 0.073 0.000 1.022 193 N CA -2.326 50.748 53.050 0.039 0.000 0.935 193 N CB 1.173 39.657 38.487 -0.005 0.000 1.147 193 N HN 0.252 8.632 8.380 -0.000 0.000 0.512 194 P HA 0.024 4.444 4.420 -0.000 0.000 0.218 194 P C 0.501 177.874 177.300 0.122 0.000 1.148 194 P CA 1.132 64.342 63.100 0.183 0.000 0.822 194 P CB -0.120 31.719 31.700 0.233 0.000 0.784 195 G N -0.826 108.027 108.800 0.088 0.000 2.746 195 G HA2 0.030 3.992 3.960 0.004 0.000 0.685 195 G HA3 0.030 3.992 3.960 0.004 0.000 0.685 195 G C 0.133 175.076 174.900 0.073 0.000 1.350 195 G CA -0.691 44.446 45.100 0.061 0.000 0.837 195 G HN 0.397 8.687 8.290 -0.000 0.000 0.564 196 G N 0.386 109.221 108.800 0.058 0.000 2.195 196 G HA2 0.543 4.505 3.960 0.004 0.000 0.264 196 G HA3 0.543 4.505 3.960 0.004 0.000 0.264 196 G C 0.337 175.274 174.900 0.062 0.000 1.148 196 G CA 1.399 46.541 45.100 0.070 0.000 1.023 196 G HN 1.169 9.459 8.290 -0.000 0.000 0.429 197 T N 1.785 116.387 114.554 0.079 0.000 2.916 197 T HA 0.382 4.734 4.350 0.004 0.000 0.292 197 T C 0.354 175.090 174.700 0.059 0.000 1.055 197 T CA -0.815 61.321 62.100 0.060 0.000 1.009 197 T CB 1.815 70.718 68.868 0.058 0.000 1.118 197 T HN 0.514 8.754 8.240 -0.000 0.000 0.497 198 R N 2.514 123.038 120.500 0.040 0.000 2.609 198 R HA 0.359 4.701 4.340 0.004 0.000 0.271 198 R C 0.014 176.333 176.300 0.031 0.000 1.403 198 R CA 0.012 56.134 56.100 0.037 0.000 1.138 198 R CB -0.676 29.639 30.300 0.025 0.000 1.142 198 R HN 0.826 9.096 8.270 -0.000 0.000 0.559 199 T N -1.407 113.173 114.554 0.043 0.000 2.865 199 T HA 0.482 4.834 4.350 0.004 0.000 0.294 199 T C 1.064 175.786 174.700 0.036 0.000 1.119 199 T CA -0.424 61.696 62.100 0.032 0.000 1.007 199 T CB 1.749 70.636 68.868 0.031 0.000 1.225 199 T HN 0.231 8.471 8.240 -0.000 0.000 0.515 200 A N 0.688 123.521 122.820 0.023 0.000 1.940 200 A HA -0.019 4.303 4.320 0.004 0.000 0.219 200 A C 2.161 179.757 177.584 0.020 0.000 1.176 200 A CA 1.870 53.918 52.037 0.019 0.000 0.631 200 A CB -0.964 18.042 19.000 0.009 0.000 0.814 200 A HN 0.769 8.919 8.150 -0.000 0.000 0.446 201 M N -1.046 118.566 119.600 0.020 0.000 2.254 201 M HA 0.006 4.488 4.480 0.004 0.000 0.265 201 M C 1.980 178.294 176.300 0.023 0.000 1.066 201 M CA 1.526 56.830 55.300 0.007 0.000 1.123 201 M CB -0.396 32.204 32.600 0.001 0.000 1.388 201 M HN 0.408 8.698 8.290 -0.000 0.000 0.425 202 R N 0.109 120.655 120.500 0.076 0.000 2.092 202 R HA 0.028 4.370 4.340 0.004 0.000 0.231 202 R C 1.929 178.333 176.300 0.172 0.000 1.119 202 R CA 1.806 58.007 56.100 0.168 0.000 0.970 202 R CB -0.828 29.588 30.300 0.194 0.000 0.864 202 R HN 0.364 8.634 8.270 -0.000 0.000 0.440 203 A N -0.289 122.594 122.820 0.106 0.000 1.883 203 A HA -0.184 4.138 4.320 0.004 0.000 0.217 203 A C 2.244 179.855 177.584 0.045 0.000 1.186 203 A CA 2.163 54.252 52.037 0.087 0.000 0.624 203 A CB -0.939 18.092 19.000 0.052 0.000 0.822 203 A HN 0.455 8.605 8.150 -0.000 0.000 0.444 204 S N -0.390 115.309 115.700 -0.001 0.000 2.399 204 S HA 0.007 4.479 4.470 0.004 0.000 0.231 204 S C 2.043 176.570 174.600 -0.121 0.000 1.022 204 S CA 1.176 59.347 58.200 -0.049 0.000 0.983 204 S CB -0.308 62.859 63.200 -0.054 0.000 0.803 204 S HN 0.817 9.127 8.310 -0.000 0.000 0.480 205 A N -0.282 122.419 122.820 -0.198 0.000 2.195 205 A HA 0.401 4.723 4.320 0.004 0.000 0.210 205 A C 0.374 177.530 177.584 -0.713 0.000 1.165 205 A CA 0.135 51.888 52.037 -0.473 0.000 0.806 205 A CB -0.007 18.675 19.000 -0.530 0.000 0.847 205 A HN 0.446 8.596 8.150 -0.000 0.000 0.482 206 F N -1.012 118.958 119.950 0.033 0.000 2.769 206 F HA 0.315 4.845 4.527 0.004 0.000 0.358 206 F C -2.194 173.619 175.800 0.021 0.000 1.285 206 F CA -1.522 56.501 58.000 0.039 0.000 1.199 206 F CB 1.735 40.779 39.000 0.074 0.000 1.558 206 F HN 0.000 8.300 8.300 -0.000 0.000 0.583 207 P HA -0.073 4.347 4.420 -0.000 0.000 0.220 207 P C 1.706 179.058 177.300 0.087 0.000 1.152 207 P CA 1.226 64.376 63.100 0.082 0.000 0.812 207 P CB 0.236 31.957 31.700 0.035 0.000 0.792 208 T N -0.412 114.204 114.554 0.102 0.000 2.607 208 T HA -0.182 4.171 4.350 0.004 0.000 0.267 208 T C 0.867 175.609 174.700 0.069 0.000 1.049 208 T CA 0.858 63.005 62.100 0.078 0.000 1.162 208 T CB -0.858 68.060 68.868 0.082 0.000 0.863 208 T HN 0.249 8.489 8.240 -0.000 0.000 0.424 209 E N 1.944 122.199 120.200 0.091 0.000 2.696 209 E HA -0.120 4.232 4.350 0.004 0.000 0.270 209 E C -0.569 176.057 176.600 0.044 0.000 0.958 209 E CA 0.038 56.468 56.400 0.050 0.000 0.964 209 E CB 0.245 29.983 29.700 0.062 0.000 0.948 209 E HN 0.212 8.572 8.360 -0.000 0.000 0.472 210 D N 5.218 125.631 120.400 0.021 0.000 2.359 210 D HA 0.178 4.821 4.640 0.004 0.000 0.230 210 D C -2.057 174.254 176.300 0.019 0.000 1.118 210 D CA -2.267 51.744 54.000 0.020 0.000 0.844 210 D CB 1.446 42.253 40.800 0.011 0.000 1.059 210 D HN 0.116 8.486 8.370 -0.000 0.000 0.493 211 P HA -0.170 4.250 4.420 -0.000 0.000 0.218 211 P C 1.162 178.473 177.300 0.017 0.000 1.148 211 P CA 0.861 63.978 63.100 0.028 0.000 0.822 211 P CB 0.269 31.988 31.700 0.031 0.000 0.784 212 Q N 0.521 120.329 119.800 0.013 0.000 2.197 212 Q HA -0.180 4.163 4.340 0.004 0.000 0.207 212 Q C 1.747 177.751 176.000 0.006 0.000 0.984 212 Q CA 1.717 57.525 55.803 0.009 0.000 0.869 212 Q CB -0.713 28.030 28.738 0.007 0.000 0.906 212 Q HN 0.199 8.469 8.270 -0.000 0.000 0.426 213 K N -0.729 119.673 120.400 0.004 0.000 2.365 213 K HA 0.011 4.333 4.320 0.004 0.000 0.199 213 K C 0.152 176.751 176.600 -0.002 0.000 1.045 213 K CA 0.146 56.432 56.287 -0.002 0.000 0.962 213 K CB 0.070 32.565 32.500 -0.008 0.000 0.759 213 K HN 0.225 8.475 8.250 -0.000 0.000 0.469 214 L N 1.261 122.486 121.223 0.004 0.000 2.421 214 L HA 0.131 4.473 4.340 0.004 0.000 0.263 214 L C 0.491 177.368 176.870 0.012 0.000 1.122 214 L CA -0.671 54.173 54.840 0.007 0.000 0.804 214 L CB 0.649 42.720 42.059 0.019 0.000 1.150 214 L HN -0.160 8.070 8.230 -0.000 0.000 0.457 215 K N 0.161 120.571 120.400 0.016 0.000 2.118 215 K HA 0.291 4.613 4.320 0.004 0.000 0.240 215 K C -0.380 176.233 176.600 0.021 0.000 1.035 215 K CA -0.034 56.264 56.287 0.019 0.000 0.899 215 K CB 0.955 33.470 32.500 0.025 0.000 1.085 215 K HN 0.496 8.746 8.250 -0.000 0.000 0.498 216 T N 1.565 116.130 114.554 0.017 0.000 2.887 216 T HA 0.344 4.696 4.350 0.004 0.000 0.288 216 T C -2.027 172.672 174.700 -0.001 0.000 1.021 216 T CA -2.184 59.921 62.100 0.009 0.000 1.000 216 T CB 1.381 70.252 68.868 0.005 0.000 1.034 216 T HN 0.322 8.562 8.240 -0.000 0.000 0.467 217 P HA -0.148 4.272 4.420 -0.000 0.000 0.216 217 P C 1.219 178.475 177.300 -0.073 0.000 1.157 217 P CA 1.376 64.440 63.100 -0.061 0.000 0.880 217 P CB 0.060 31.712 31.700 -0.079 0.000 0.791 218 A N -0.430 122.361 122.820 -0.048 0.000 2.024 218 A HA -0.223 4.099 4.320 0.004 0.000 0.220 218 A C 1.888 179.470 177.584 -0.004 0.000 1.164 218 A CA 1.985 54.003 52.037 -0.031 0.000 0.643 218 A CB -1.324 17.667 19.000 -0.014 0.000 0.806 218 A HN 0.121 8.271 8.150 -0.000 0.000 0.451 219 D N -0.356 120.048 120.400 0.006 0.000 2.312 219 D HA 0.071 4.713 4.640 0.004 0.000 0.211 219 D C 1.062 177.390 176.300 0.046 0.000 0.964 219 D CA 0.909 54.925 54.000 0.026 0.000 0.877 219 D CB -0.077 40.738 40.800 0.025 0.000 0.924 219 D HN 0.753 9.123 8.370 -0.000 0.000 0.515 223 L N -0.237 121.079 121.223 0.155 0.000 2.017 223 L HA -0.081 4.261 4.340 0.004 0.000 0.208 223 L C 2.225 179.145 176.870 0.082 0.000 1.073 223 L CA 2.024 56.898 54.840 0.056 0.000 0.745 223 L CB -1.151 40.891 42.059 -0.029 0.000 0.894 223 L HN 0.137 8.367 8.230 -0.000 0.000 0.432 224 Y N -0.815 119.564 120.300 0.133 0.000 2.165 224 Y HA -0.259 4.294 4.550 0.004 0.000 0.286 224 Y C 2.508 178.559 175.900 0.252 0.000 1.155 224 Y CA 1.679 59.888 58.100 0.183 0.000 1.164 224 Y CB -0.560 37.966 38.460 0.110 0.000 0.978 224 Y HN 0.143 8.423 8.280 -0.000 0.000 0.513 225 L N -2.290 119.153 121.223 0.367 0.000 2.109 225 L HA -0.212 4.130 4.340 0.004 0.000 0.207 225 L C 2.254 179.279 176.870 0.258 0.000 1.086 225 L CA 1.051 56.066 54.840 0.291 0.000 0.760 225 L CB -0.491 41.664 42.059 0.160 0.000 0.910 225 L HN 0.397 8.627 8.230 -0.000 0.000 0.437 226 W N 0.621 121.895 121.300 -0.043 0.000 2.352 226 W HA -0.163 4.498 4.660 0.002 0.000 0.322 226 W C 1.332 177.683 176.519 -0.280 0.000 1.208 226 W CA 0.699 57.800 57.345 -0.406 0.000 1.286 226 W CB -0.459 28.628 29.460 -0.622 0.000 1.167 226 W HN -0.161 8.019 8.180 -0.000 0.000 0.469 230 D N -0.073 120.258 120.400 -0.114 0.000 2.366 230 D HA 0.121 4.763 4.640 0.004 0.000 0.205 230 D C 1.266 177.480 176.300 -0.143 0.000 1.022 230 D CA 0.136 54.065 54.000 -0.118 0.000 0.868 230 D CB 0.311 41.081 40.800 -0.050 0.000 0.953 230 D HN 0.305 8.675 8.370 -0.000 0.000 0.514 231 D N 0.162 120.484 120.400 -0.131 0.000 2.403 231 D HA -0.070 4.572 4.640 0.004 0.000 0.227 231 D C 1.088 177.219 176.300 -0.283 0.000 0.995 231 D CA 0.644 54.593 54.000 -0.084 0.000 0.928 231 D CB 0.213 41.065 40.800 0.087 0.000 0.887 231 D HN 0.212 8.582 8.370 -0.000 0.000 0.529 232 S N -1.393 113.958 115.700 -0.582 0.000 2.847 232 S HA 0.153 4.626 4.470 0.004 0.000 0.254 232 S C 1.288 175.623 174.600 -0.441 0.000 1.039 232 S CA -0.598 57.088 58.200 -0.856 0.000 1.113 232 S CB 0.490 62.628 63.200 -1.771 0.000 1.092 232 S HN -0.059 8.251 8.310 -0.000 0.000 0.620 233 R N 1.396 121.734 120.500 -0.269 0.000 2.397 233 R HA 0.148 4.491 4.340 0.004 0.000 0.213 233 R C 2.086 178.321 176.300 -0.108 0.000 1.102 233 R CA 0.741 56.739 56.100 -0.170 0.000 1.040 233 R CB -0.086 30.145 30.300 -0.115 0.000 0.844 233 R HN 0.299 8.569 8.270 -0.000 0.000 0.478 234 R N -0.155 120.291 120.500 -0.091 0.000 2.487 234 R HA 0.109 4.452 4.340 0.004 0.000 0.272 234 R C -0.544 175.753 176.300 -0.005 0.000 0.928 234 R CA 0.002 56.082 56.100 -0.032 0.000 1.077 234 R CB 0.640 30.937 30.300 -0.005 0.000 1.265 234 R HN -0.069 8.201 8.270 -0.000 0.000 0.537 235 K N 1.147 121.534 120.400 -0.023 0.000 2.183 235 K HA 0.241 4.563 4.320 0.004 0.000 0.274 235 K C -0.560 176.076 176.600 0.061 0.000 1.009 235 K CA -0.039 56.288 56.287 0.068 0.000 0.888 235 K CB 2.085 34.688 32.500 0.173 0.000 1.078 235 K HN -0.130 8.120 8.250 -0.000 0.000 0.459 236 T N -0.883 113.720 114.554 0.081 0.000 2.840 236 T HA 0.454 4.806 4.350 0.004 0.000 0.317 236 T C 0.064 174.787 174.700 0.039 0.000 1.401 236 T CA 0.477 62.613 62.100 0.061 0.000 1.028 236 T CB 1.244 70.139 68.868 0.045 0.000 1.317 236 T HN 0.773 9.013 8.240 -0.000 0.000 0.495 237 G N 2.125 110.942 108.800 0.029 0.000 2.179 237 G HA2 -0.207 3.755 3.960 0.004 0.000 0.257 237 G HA3 -0.207 3.755 3.960 0.004 0.000 0.257 237 G C 0.045 174.895 174.900 -0.084 0.000 1.010 237 G CA 0.976 46.070 45.100 -0.009 0.000 0.736 237 G HN 0.704 8.994 8.290 -0.000 0.000 0.513 238 M N -0.318 119.187 119.600 -0.158 0.000 2.705 238 M HA 0.567 5.050 4.480 0.004 0.000 0.311 238 M C -0.177 175.812 176.300 -0.518 0.000 1.214 238 M CA -0.579 54.484 55.300 -0.395 0.000 0.920 238 M CB 2.139 34.373 32.600 -0.609 0.000 1.687 238 M HN -0.024 8.266 8.290 -0.000 0.000 0.481 239 T N 1.954 116.180 114.554 -0.547 0.000 2.963 239 T HA 0.518 4.871 4.350 0.004 0.000 0.343 239 T C -0.765 173.683 174.700 -0.420 0.000 1.146 239 T CA -0.348 61.511 62.100 -0.400 0.000 1.016 239 T CB -0.348 68.382 68.868 -0.231 0.000 1.046 239 T HN 0.267 8.507 8.240 -0.000 0.000 0.496 240 F N 1.964 121.913 119.950 -0.002 0.000 2.412 240 F HA 0.314 4.843 4.527 0.003 0.000 0.348 240 F C 0.996 176.775 175.800 -0.036 0.000 1.102 240 F CA -0.771 57.222 58.000 -0.013 0.000 1.196 240 F CB 0.717 39.729 39.000 0.019 0.000 1.144 240 F HN 0.344 8.644 8.300 -0.000 0.000 0.541 241 D N 1.815 122.305 120.400 0.149 0.000 2.168 241 D HA 0.326 4.968 4.640 0.004 0.000 0.246 241 D C 0.571 176.911 176.300 0.066 0.000 1.050 241 D CA -0.109 53.934 54.000 0.072 0.000 0.857 241 D CB 2.066 42.887 40.800 0.034 0.000 1.169 241 D HN 0.624 8.994 8.370 -0.000 0.000 0.453 242 A N 2.752 125.611 122.820 0.064 0.000 1.903 242 A HA -0.093 4.229 4.320 0.004 0.000 0.213 242 A C 0.972 178.589 177.584 0.055 0.000 1.185 242 A CA 0.896 52.976 52.037 0.072 0.000 0.628 242 A CB 0.021 19.101 19.000 0.134 0.000 0.830 242 A HN 0.549 8.699 8.150 -0.000 0.000 0.446 243 Q N 0.684 120.513 119.800 0.048 0.000 2.788 243 Q HA 0.266 4.608 4.340 0.004 0.000 0.278 243 Q C -2.632 173.379 176.000 0.019 0.000 1.126 243 Q CA -2.149 53.673 55.803 0.032 0.000 1.017 243 Q CB 0.646 29.402 28.738 0.031 0.000 1.219 243 Q HN 0.302 8.572 8.270 -0.000 0.000 0.503 244 P HA 0.007 4.427 4.420 -0.000 0.000 0.267 244 P C 0.601 177.902 177.300 0.002 0.000 1.205 244 P CA 0.592 63.696 63.100 0.007 0.000 0.765 244 P CB 0.705 32.407 31.700 0.003 0.000 0.828 245 G N 2.582 111.381 108.800 -0.001 0.000 2.272 245 G HA2 -0.307 3.656 3.960 0.004 0.000 0.280 245 G HA3 -0.307 3.656 3.960 0.004 0.000 0.280 245 G C 0.950 175.848 174.900 -0.003 0.000 1.067 245 G CA 0.168 45.266 45.100 -0.003 0.000 0.902 245 G HN 0.627 8.917 8.290 -0.000 0.000 0.500 246 R N -0.150 120.348 120.500 -0.003 0.000 2.175 246 R HA 0.220 4.562 4.340 0.004 0.000 0.202 246 R C 0.853 177.146 176.300 -0.011 0.000 1.018 246 R CA 1.101 57.197 56.100 -0.006 0.000 1.029 246 R CB 0.006 30.303 30.300 -0.004 0.000 0.959 246 R HN 0.497 8.767 8.270 -0.000 0.000 0.480 247 K N -0.342 120.052 120.400 -0.010 0.000 5.504 247 K HA -0.116 4.207 4.320 0.004 0.000 0.578 247 K C -2.661 173.931 176.600 -0.014 0.000 2.575 247 K CA 0.018 56.300 56.287 -0.009 0.000 2.024 247 K CB -0.908 31.589 32.500 -0.006 0.000 2.552 247 K HN 0.142 8.392 8.250 -0.000 0.000 0.185 248 P HA 0.206 4.626 4.420 -0.000 0.000 0.272 248 P C 0.331 177.622 177.300 -0.014 0.000 1.243 248 P CA 0.891 63.992 63.100 0.002 0.000 0.803 248 P CB 0.424 32.143 31.700 0.032 0.000 0.974 249 G N -1.583 107.207 108.800 -0.018 0.000 2.422 249 G HA2 -0.118 3.845 3.960 0.004 0.000 0.607 249 G HA3 -0.118 3.845 3.960 0.004 0.000 0.607 249 G C 0.222 174.931 174.900 -0.317 0.000 1.270 249 G CA -0.267 44.788 45.100 -0.075 0.000 0.992 249 G HN 0.370 8.660 8.290 -0.000 0.000 0.499 250 I N 0.399 120.790 120.570 -0.299 0.000 2.834 250 I HA 0.032 4.204 4.170 0.004 0.000 0.239 250 I C 3.137 179.114 176.117 -0.233 0.000 1.073 250 I CA 1.246 62.286 61.300 -0.434 0.000 1.459 250 I CB -0.915 36.949 38.000 -0.226 0.000 1.288 250 I HN 0.837 9.047 8.210 -0.000 0.000 0.455 251 S N 1.114 116.743 115.700 -0.119 0.000 2.393 251 S HA -0.277 4.195 4.470 0.004 0.000 0.234 251 S C 1.155 175.716 174.600 -0.066 0.000 1.064 251 S CA 1.236 59.395 58.200 -0.068 0.000 1.088 251 S CB -0.954 62.224 63.200 -0.037 0.000 0.939 251 S HN 0.430 8.740 8.310 -0.000 0.000 0.448 252 Q N 0.000 119.756 119.800 -0.073 0.000 2.315 252 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 252 Q CA 0.000 55.771 55.803 -0.053 0.000 1.022 252 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 252 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481