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 1a7m_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPLPITPVNA TcAIRHPcHG NLMNQIKNQL AQLNGSANAL FISYYTAQGE DATA SEQUENCE PFPNNLDKLc GPNVTDFPPF HANGTEKAKL VELYRMVAYL SASLTNITRD DATA SEQUENCE QKVLNPSAVS LHSKLNATID VMRGLLSNVL cRLcNKYRVG HVDVPPVPDH DATA SEQUENCE SDKEVFQKKK LGcQLLGTYK QVISVVVQAF 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 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1 S C 0.000 174.600 174.600 -0.000 0.000 1.055 1 S CA 0.000 58.200 58.200 0.000 0.000 1.107 1 S CB 0.000 63.200 63.200 0.000 0.000 0.593 2 P HA 0.250 4.670 4.420 -0.001 0.000 0.312 2 P C -1.675 175.625 177.300 -0.000 0.000 1.307 2 P CA -0.518 62.581 63.100 -0.000 0.000 0.738 2 P CB 0.563 32.263 31.700 0.000 0.000 1.422 3 L N -3.783 117.440 121.223 -0.000 0.000 2.290 3 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 3 L C -1.773 175.097 176.870 0.001 0.000 1.078 3 L CA -2.034 52.806 54.840 -0.000 0.000 0.815 3 L CB -0.804 41.254 42.059 -0.001 0.000 1.162 3 L HN -0.258 7.972 8.230 -0.001 0.000 0.435 4 P HA 0.088 4.510 4.420 0.003 0.000 0.268 4 P C -1.271 176.031 177.300 0.003 0.000 1.541 4 P CA -0.193 62.908 63.100 0.002 0.000 1.093 4 P CB -1.166 30.535 31.700 0.002 0.000 1.551 5 I N 0.271 120.843 120.570 0.004 0.000 2.412 5 I HA 0.330 4.504 4.170 0.006 0.000 0.296 5 I C -0.655 175.466 176.117 0.007 0.000 0.987 5 I CA -0.666 60.637 61.300 0.006 0.000 1.180 5 I CB 1.175 39.178 38.000 0.006 0.000 1.340 5 I HN -0.505 7.708 8.210 0.004 0.000 0.455 6 T N 0.924 115.483 114.554 0.008 0.000 3.087 6 T HA 0.262 4.616 4.350 0.007 0.000 0.237 6 T C -0.606 174.100 174.700 0.010 0.000 0.990 6 T CA 0.323 62.428 62.100 0.008 0.000 1.160 6 T CB -1.117 67.756 68.868 0.008 0.000 0.923 6 T HN 0.279 8.524 8.240 0.008 0.000 0.442 7 P HA 0.032 4.460 4.420 0.013 0.000 0.231 7 P C -1.924 175.385 177.300 0.014 0.000 1.756 7 P CA -0.246 62.862 63.100 0.014 0.000 0.990 7 P CB -1.699 30.013 31.700 0.020 0.000 1.973 8 V N 0.570 120.492 119.914 0.013 0.000 2.462 8 V HA 0.121 4.251 4.120 0.018 0.000 0.257 8 V C -1.598 174.506 176.094 0.017 0.000 0.944 8 V CA -0.673 61.636 62.300 0.016 0.000 0.903 8 V CB 0.316 32.147 31.823 0.013 0.000 1.128 8 V HN -0.120 8.015 8.190 0.012 0.062 0.486 9 N N 4.835 123.546 118.700 0.018 0.000 2.325 9 N HA -0.046 4.702 4.740 0.013 0.000 0.182 9 N C -0.561 174.965 175.510 0.027 0.000 1.088 9 N CA 0.499 53.559 53.050 0.016 0.000 0.879 9 N CB 1.160 39.652 38.487 0.009 0.000 0.983 9 N HN 0.567 8.847 8.380 0.019 0.111 0.471 10 A N -2.036 120.810 122.820 0.044 0.000 1.714 10 A HA 0.394 4.753 4.320 0.065 0.000 0.158 10 A C -0.845 176.787 177.584 0.080 0.000 1.763 10 A CA 1.206 53.291 52.037 0.079 0.000 1.419 10 A CB 1.367 20.449 19.000 0.138 0.000 1.113 10 A HN -0.123 7.997 8.150 0.039 0.053 0.895 11 T N -3.797 110.799 114.554 0.070 0.000 3.028 11 T HA 0.373 4.746 4.350 0.037 0.000 0.262 11 T C 1.200 175.905 174.700 0.008 0.000 0.916 11 T CA 0.162 62.281 62.100 0.031 0.000 0.873 11 T CB 1.741 70.614 68.868 0.009 0.000 1.232 11 T HN -0.099 8.039 8.240 0.079 0.150 0.529 12 c N 3.394 121.994 118.600 -0.000 0.000 2.406 12 c HA -0.429 4.131 4.570 -0.017 0.000 0.288 12 c C 1.526 175.621 174.090 0.008 0.000 1.193 12 c CA 2.953 59.280 56.329 -0.003 0.000 1.872 12 c CB -1.467 41.046 42.510 0.004 0.000 2.143 12 c HN 0.242 8.347 8.230 0.009 0.130 0.507 13 A N -1.374 121.452 122.820 0.011 0.000 1.973 13 A HA 0.198 4.523 4.320 0.009 0.000 0.210 13 A C 0.504 178.092 177.584 0.007 0.000 1.200 13 A CA 1.469 53.511 52.037 0.009 0.000 0.707 13 A CB 1.104 20.110 19.000 0.009 0.000 0.862 13 A HN 0.017 8.070 8.150 0.013 0.105 0.461 14 I N -6.017 114.559 120.570 0.011 0.000 3.569 14 I HA 0.314 4.483 4.170 -0.003 0.000 0.334 14 I C -0.361 175.769 176.117 0.023 0.000 1.570 14 I CA -1.901 59.403 61.300 0.007 0.000 1.082 14 I CB -0.742 37.262 38.000 0.006 0.000 1.323 14 I HN -0.289 7.845 8.210 0.014 0.084 0.489 15 R N 1.065 121.587 120.500 0.037 0.000 2.048 15 R HA -0.118 4.267 4.340 0.074 0.000 0.224 15 R C -0.277 176.153 176.300 0.217 0.000 1.163 15 R CA 1.888 58.036 56.100 0.080 0.000 0.956 15 R CB 0.699 31.005 30.300 0.011 0.000 0.849 15 R HN -0.210 7.990 8.270 0.025 0.084 0.435 16 H N -5.968 113.075 119.070 -0.045 0.000 2.960 16 H HA 0.216 4.744 4.556 -0.046 0.000 0.338 16 H C -1.816 173.469 175.328 -0.072 0.000 1.261 16 H CA -1.810 54.205 56.048 -0.055 0.000 1.136 16 H CB 2.581 32.309 29.762 -0.056 0.000 1.875 16 H HN -0.330 8.018 8.280 0.114 0.000 0.550 17 P HA 0.198 4.570 4.420 -0.079 0.000 0.269 17 P C -1.274 175.929 177.300 -0.162 0.000 1.478 17 P CA -0.798 62.225 63.100 -0.128 0.000 1.045 17 P CB 0.366 31.970 31.700 -0.161 0.000 1.512 18 c N -2.350 116.166 118.600 -0.139 0.000 0.168 18 c HA -0.413 4.063 4.570 -0.157 0.000 0.017 18 c C -0.286 173.441 174.090 -0.605 0.000 0.171 18 c CA 1.533 57.725 56.329 -0.229 0.000 0.499 18 c CB -0.888 41.587 42.510 -0.058 0.000 3.212 18 c HN -0.144 7.994 8.230 -0.001 0.091 1.118 19 H N 0.148 119.245 119.070 0.046 0.000 2.943 19 H HA 0.115 4.688 4.556 0.028 0.000 0.323 19 H C 0.864 176.204 175.328 0.020 0.000 1.296 19 H CA -1.307 54.760 56.048 0.031 0.000 1.155 19 H CB 1.798 31.578 29.762 0.030 0.000 1.882 19 H HN -0.072 8.214 8.280 0.010 0.000 0.553 20 G N 0.137 109.024 108.800 0.144 0.000 2.853 20 G HA2 -0.370 3.623 3.960 0.054 0.000 0.234 20 G HA3 -0.370 3.631 3.960 0.069 0.000 0.234 20 G C -0.660 174.276 174.900 0.059 0.000 1.198 20 G CA 2.163 47.308 45.100 0.076 0.000 0.767 20 G HN 0.556 8.954 8.290 0.181 0.000 0.657 21 N N -2.093 116.647 118.700 0.066 0.000 2.829 21 N HA 0.012 4.776 4.740 0.042 0.000 0.198 21 N C -1.245 174.298 175.510 0.056 0.000 1.697 21 N CA -0.614 52.465 53.050 0.048 0.000 1.137 21 N CB 1.038 39.544 38.487 0.033 0.000 2.368 21 N HN -0.420 8.006 8.380 0.077 0.000 0.325 22 L N -5.885 115.361 121.223 0.038 0.000 1.465 22 L HA 0.464 4.815 4.340 0.018 0.000 0.144 22 L C 1.525 178.404 176.870 0.014 0.000 1.333 22 L CA 0.869 55.721 54.840 0.021 0.000 1.203 22 L CB -0.295 41.775 42.059 0.017 0.000 2.504 22 L HN -0.084 8.167 8.230 0.034 0.000 0.485 23 M N 1.427 121.048 119.600 0.036 0.000 3.036 23 M HA -0.504 4.030 4.480 0.090 0.000 0.265 23 M C 0.237 176.589 176.300 0.086 0.000 1.007 23 M CA 3.600 58.940 55.300 0.066 0.000 1.031 23 M CB -0.911 31.723 32.600 0.055 0.000 1.317 23 M HN 0.144 8.455 8.290 0.034 0.000 0.511 24 N N -6.571 112.166 118.700 0.061 0.000 2.270 24 N HA 0.033 4.826 4.740 0.088 0.000 0.198 24 N C 1.442 176.979 175.510 0.046 0.000 1.117 24 N CA 0.777 53.864 53.050 0.063 0.000 0.845 24 N CB -0.934 37.579 38.487 0.044 0.000 0.980 24 N HN -0.114 8.293 8.380 0.046 0.000 0.486 25 Q N 2.629 122.445 119.800 0.028 0.000 2.019 25 Q HA -0.021 4.317 4.340 -0.004 0.000 0.195 25 Q C 1.500 177.495 176.000 -0.007 0.000 0.981 25 Q CA 2.624 58.424 55.803 -0.005 0.000 0.832 25 Q CB 0.246 28.969 28.738 -0.025 0.000 0.902 25 Q HN 0.149 8.215 8.270 0.029 0.221 0.461 26 I N -4.156 116.385 120.570 -0.050 0.000 2.530 26 I HA -0.447 3.685 4.170 -0.063 0.000 0.257 26 I C 1.611 177.822 176.117 0.156 0.000 1.179 26 I CA 3.557 64.809 61.300 -0.079 0.000 1.440 26 I CB -0.768 36.973 38.000 -0.431 0.000 1.087 26 I HN -0.486 7.680 8.210 -0.073 0.000 0.440 27 K N 0.497 121.038 120.400 0.233 0.000 2.002 27 K HA -0.442 4.152 4.320 0.456 0.000 0.209 27 K C 1.622 178.307 176.600 0.142 0.000 1.048 27 K CA 3.928 60.389 56.287 0.291 0.000 0.930 27 K CB -0.445 32.169 32.500 0.190 0.000 0.714 27 K HN -0.215 8.152 8.250 0.148 -0.029 0.438 28 N N -0.726 118.025 118.700 0.086 0.000 2.080 28 N HA -0.279 4.485 4.740 0.039 0.000 0.189 28 N C 2.098 177.632 175.510 0.040 0.000 1.036 28 N CA 3.217 56.294 53.050 0.046 0.000 0.846 28 N CB 0.077 38.581 38.487 0.027 0.000 1.015 28 N HN -0.692 7.631 8.380 0.081 0.106 0.423 29 Q N -0.136 119.684 119.800 0.033 0.000 2.062 29 Q HA -0.403 3.940 4.340 0.006 0.000 0.209 29 Q C 2.799 178.822 176.000 0.039 0.000 0.996 29 Q CA 3.051 58.865 55.803 0.018 0.000 0.859 29 Q CB -0.047 28.686 28.738 -0.008 0.000 0.920 29 Q HN 0.272 8.455 8.270 0.029 0.105 0.415 30 L N -1.037 120.235 121.223 0.081 0.000 1.989 30 L HA -0.296 4.079 4.340 0.059 0.000 0.211 30 L C 1.994 178.877 176.870 0.021 0.000 1.071 30 L CA 2.284 57.172 54.840 0.079 0.000 0.749 30 L CB -1.026 41.161 42.059 0.213 0.000 0.890 30 L HN 0.029 8.210 8.230 0.116 0.118 0.431 31 A N -1.186 121.646 122.820 0.020 0.000 1.903 31 A HA -0.520 3.783 4.320 -0.028 0.000 0.219 31 A C 2.128 179.715 177.584 0.006 0.000 1.191 31 A CA 3.354 55.388 52.037 -0.004 0.000 0.638 31 A CB -1.092 17.910 19.000 0.003 0.000 0.823 31 A HN -0.164 8.014 8.150 0.045 0.000 0.451 32 Q N -3.587 116.222 119.800 0.016 0.000 2.217 32 Q HA -0.324 4.025 4.340 0.016 0.000 0.209 32 Q C 2.097 178.117 176.000 0.033 0.000 0.988 32 Q CA 2.910 58.725 55.803 0.020 0.000 0.878 32 Q CB -0.179 28.569 28.738 0.018 0.000 0.909 32 Q HN -0.490 7.789 8.270 0.019 0.002 0.424 33 L N -3.025 118.222 121.223 0.040 0.000 2.200 33 L HA -0.214 4.185 4.340 0.099 0.000 0.200 33 L C 1.674 178.587 176.870 0.071 0.000 1.072 33 L CA 2.200 57.091 54.840 0.084 0.000 0.787 33 L CB -0.016 42.116 42.059 0.121 0.000 0.957 33 L HN 0.021 8.101 8.230 0.029 0.167 0.459 34 N N 0.106 118.799 118.700 -0.011 0.000 2.058 34 N HA -0.581 4.092 4.740 -0.112 0.000 0.200 34 N C 1.960 177.480 175.510 0.016 0.000 1.033 34 N CA 3.597 56.616 53.050 -0.051 0.000 0.880 34 N CB -0.051 38.390 38.487 -0.077 0.000 1.069 34 N HN 0.271 8.466 8.380 -0.027 0.169 0.461 35 G N -2.257 106.554 108.800 0.018 0.000 2.547 35 G HA2 -0.345 3.630 3.960 0.025 0.000 0.221 35 G HA3 -0.345 3.630 3.960 0.025 0.000 0.221 35 G C 1.561 176.498 174.900 0.062 0.000 1.140 35 G CA 2.369 47.488 45.100 0.032 0.000 0.760 35 G HN 0.027 8.320 8.290 0.005 0.000 0.583 36 S N 1.907 117.656 115.700 0.082 0.000 2.558 36 S HA -0.106 4.514 4.470 0.093 -0.094 0.217 36 S C 0.948 175.662 174.600 0.190 0.000 0.975 36 S CA 1.722 59.988 58.200 0.110 0.000 0.912 36 S CB -0.101 63.151 63.200 0.086 0.000 0.776 36 S HN -0.132 8.103 8.310 0.073 0.119 0.526 37 A N 2.088 125.051 122.820 0.237 0.000 1.972 37 A HA -0.287 4.395 4.320 0.602 0.000 0.219 37 A C 0.918 178.680 177.584 0.297 0.000 1.169 37 A CA 2.976 55.256 52.037 0.405 0.000 0.635 37 A CB -0.572 18.545 19.000 0.194 0.000 0.810 37 A HN 0.339 8.299 8.150 0.162 0.288 0.446 38 N N -3.482 115.348 118.700 0.217 0.000 2.349 38 N HA -0.170 4.778 4.740 0.346 0.000 0.180 38 N C 1.614 177.259 175.510 0.226 0.000 1.024 38 N CA 2.218 55.414 53.050 0.243 0.000 0.869 38 N CB 0.843 39.417 38.487 0.145 0.000 1.022 38 N HN -0.717 7.741 8.380 0.160 0.018 0.433 39 A N 0.304 123.206 122.820 0.137 0.000 1.841 39 A HA -0.146 4.197 4.320 0.039 0.000 0.214 39 A C 2.218 179.844 177.584 0.069 0.000 1.195 39 A CA 3.086 55.165 52.037 0.070 0.000 0.611 39 A CB -0.882 18.142 19.000 0.039 0.000 0.835 39 A HN 0.175 8.246 8.150 0.122 0.152 0.443 40 L N 0.052 121.336 121.223 0.101 0.000 1.971 40 L HA -0.361 4.009 4.340 0.049 0.000 0.215 40 L C 1.296 178.285 176.870 0.199 0.000 1.072 40 L CA 2.994 57.892 54.840 0.097 0.000 0.758 40 L CB -0.988 41.110 42.059 0.065 0.000 0.889 40 L HN -0.607 7.558 8.230 0.109 0.131 0.433 41 F N -0.428 119.588 119.950 0.111 0.000 2.060 41 F HA -0.563 4.192 4.527 0.380 0.000 0.293 41 F C 1.859 177.766 175.800 0.179 0.000 1.096 41 F CA 2.852 61.004 58.000 0.253 0.000 1.241 41 F CB -0.885 38.263 39.000 0.246 0.000 0.959 41 F HN -0.368 8.134 8.300 0.337 0.000 0.499 42 I N -1.162 119.276 120.570 -0.221 0.000 2.090 42 I HA -0.621 2.358 4.170 -1.986 0.000 0.236 42 I C 1.652 177.312 176.117 -0.761 0.000 1.064 42 I CA 3.731 64.485 61.300 -0.909 0.000 1.324 42 I CB -0.499 37.218 38.000 -0.472 0.000 1.044 42 I HN -0.531 7.729 8.210 0.077 -0.004 0.399 43 S N -0.304 115.194 115.700 -0.337 0.000 2.421 43 S HA -0.377 3.934 4.470 -0.265 0.000 0.239 43 S C 2.079 176.567 174.600 -0.187 0.000 1.054 43 S CA 3.233 61.303 58.200 -0.216 0.000 1.035 43 S CB -0.252 62.900 63.200 -0.079 0.000 0.840 43 S HN 0.193 8.371 8.310 -0.221 0.000 0.475 44 Y N 2.653 122.793 120.300 -0.266 0.000 2.170 44 Y HA -0.290 4.185 4.550 -0.124 0.000 0.280 44 Y C 1.170 176.904 175.900 -0.276 0.000 1.097 44 Y CA 2.219 60.211 58.100 -0.180 0.000 1.087 44 Y CB -0.132 38.304 38.460 -0.040 0.000 1.016 44 Y HN 0.074 8.061 8.280 -0.066 0.253 0.485 45 Y N -0.349 119.054 120.300 -1.495 0.000 2.193 45 Y HA -0.329 2.938 4.550 -2.138 0.000 0.285 45 Y C 2.432 177.558 175.900 -1.291 0.000 1.166 45 Y CA 0.977 57.905 58.100 -1.954 0.000 1.181 45 Y CB -0.936 36.299 38.460 -2.041 0.000 0.976 45 Y HN 0.462 8.131 8.280 -0.837 0.108 0.520 46 T N 1.381 115.231 114.554 -1.174 0.000 2.737 46 T HA -0.511 3.547 4.350 -0.486 0.000 0.269 46 T C 2.086 176.584 174.700 -0.337 0.000 1.040 46 T CA 3.682 65.379 62.100 -0.671 0.000 1.142 46 T CB -0.801 67.679 68.868 -0.645 0.000 0.861 46 T HN 0.405 7.625 8.240 -1.489 0.126 0.456 47 A N -0.409 122.221 122.820 -0.318 0.000 2.066 47 A HA -0.057 4.194 4.320 -0.115 0.000 0.218 47 A C 1.341 178.888 177.584 -0.063 0.000 1.157 47 A CA 1.922 53.872 52.037 -0.145 0.000 0.670 47 A CB -0.879 18.060 19.000 -0.102 0.000 0.804 47 A HN -0.326 7.471 8.150 -0.408 0.108 0.453 48 Q N -3.750 116.010 119.800 -0.066 0.000 2.436 48 Q HA -0.092 4.300 4.340 0.088 0.000 0.209 48 Q C 0.014 176.118 176.000 0.172 0.000 0.965 48 Q CA -0.155 55.717 55.803 0.115 0.000 0.910 48 Q CB 0.615 29.522 28.738 0.282 0.000 0.980 48 Q HN -0.496 7.485 8.270 -0.243 0.143 0.491 49 G N -2.105 106.790 108.800 0.157 0.000 2.755 49 G HA2 -0.479 3.542 3.960 0.102 0.000 0.686 49 G HA3 -0.479 3.536 3.960 0.091 0.000 0.686 49 G C -1.604 173.445 174.900 0.249 0.000 1.427 49 G CA -0.620 44.569 45.100 0.148 0.000 0.873 49 G HN -0.867 7.407 8.290 0.071 0.059 0.580 50 E N 0.194 120.499 120.200 0.175 0.000 2.468 50 E HA -0.078 4.552 4.350 0.243 -0.134 0.263 50 E C -1.123 175.503 176.600 0.043 0.000 1.192 50 E CA -1.705 54.784 56.400 0.148 0.000 1.016 50 E CB -0.575 29.184 29.700 0.098 0.000 0.980 50 E HN 0.226 8.660 8.360 0.124 0.000 0.467 51 P HA -0.054 4.411 4.420 0.075 0.000 0.264 51 P C -1.635 175.671 177.300 0.010 0.000 1.236 51 P CA 0.727 63.856 63.100 0.049 0.000 0.811 51 P CB 0.124 31.884 31.700 0.099 0.000 0.840 52 F N 3.522 123.490 119.950 0.029 0.000 1.811 52 F HA 0.315 4.793 4.527 -0.082 0.000 0.232 52 F C -1.357 174.399 175.800 -0.075 0.000 1.232 52 F CA 1.188 59.167 58.000 -0.036 0.000 1.312 52 F CB -0.476 38.553 39.000 0.049 0.000 1.880 52 F HN 0.048 8.468 8.300 0.200 0.000 0.287 53 P HA -0.080 4.544 4.420 0.340 0.000 0.234 53 P C -1.014 176.353 177.300 0.111 0.000 1.162 53 P CA 1.511 64.750 63.100 0.232 0.000 0.759 53 P CB -0.514 31.293 31.700 0.178 0.000 0.813 54 N N -5.453 113.299 118.700 0.086 0.000 2.272 54 N HA 0.018 4.786 4.740 0.046 0.000 0.228 54 N C -0.782 174.747 175.510 0.032 0.000 1.206 54 N CA 0.583 53.664 53.050 0.052 0.000 0.855 54 N CB 1.370 39.887 38.487 0.050 0.000 1.248 54 N HN -0.187 8.089 8.380 0.112 0.171 0.476 55 N N 0.547 119.267 118.700 0.034 0.000 2.187 55 N HA 0.214 4.952 4.740 -0.005 0.000 0.212 55 N C 1.752 177.257 175.510 -0.007 0.000 1.152 55 N CA -0.272 52.780 53.050 0.003 0.000 0.872 55 N CB 1.416 39.900 38.487 -0.005 0.000 1.025 55 N HN -0.330 7.977 8.380 0.063 0.111 0.514 56 L N 0.257 121.483 121.223 0.004 0.000 2.043 56 L HA -0.307 4.116 4.340 0.137 0.000 0.212 56 L C 0.999 177.903 176.870 0.056 0.000 1.075 56 L CA 3.997 58.849 54.840 0.020 0.000 0.752 56 L CB -1.385 40.427 42.059 -0.412 0.000 0.891 56 L HN 0.113 8.278 8.230 -0.005 0.062 0.432 57 D N -1.872 118.547 120.400 0.031 0.000 2.191 57 D HA -0.432 4.246 4.640 0.064 0.000 0.195 57 D C 1.529 177.834 176.300 0.009 0.000 1.003 57 D CA 3.907 57.929 54.000 0.036 0.000 0.867 57 D CB -0.622 40.191 40.800 0.022 0.000 0.926 57 D HN 0.488 8.870 8.370 0.011 -0.006 0.450 58 K N -4.536 115.850 120.400 -0.023 0.000 2.358 58 K HA 0.107 4.400 4.320 -0.046 0.000 0.200 58 K C 0.164 176.706 176.600 -0.096 0.000 1.030 58 K CA 1.007 57.256 56.287 -0.063 0.000 1.097 58 K CB 0.398 32.843 32.500 -0.091 0.000 0.862 58 K HN -0.226 7.862 8.250 -0.027 0.145 0.534 59 L N -3.559 117.627 121.223 -0.062 0.000 2.731 59 L HA 0.301 4.573 4.340 -0.113 0.000 0.240 59 L C 0.200 177.112 176.870 0.070 0.000 1.120 59 L CA 0.440 55.241 54.840 -0.065 0.000 0.913 59 L CB 1.423 43.395 42.059 -0.145 0.000 1.213 59 L HN -0.315 7.701 8.230 -0.024 0.200 0.515 60 c N -4.156 114.515 118.600 0.119 0.000 3.336 60 c HA 0.342 5.137 4.570 0.233 -0.085 0.291 60 c C 0.874 174.992 174.090 0.046 0.000 1.363 60 c CA -1.521 54.914 56.329 0.177 0.000 1.737 60 c CB 0.291 43.020 42.510 0.365 0.000 2.274 60 c HN 0.424 8.629 8.230 0.080 0.073 0.663 61 G N 0.966 109.781 108.800 0.026 0.000 2.332 61 G HA2 -0.341 3.616 3.960 -0.006 0.000 0.275 61 G HA3 -0.341 3.617 3.960 -0.005 0.000 0.275 61 G C -1.948 172.933 174.900 -0.032 0.000 0.825 61 G CA 0.325 45.423 45.100 -0.005 0.000 1.070 61 G HN 0.430 8.665 8.290 0.029 0.073 0.470 62 P HA -0.063 4.311 4.420 -0.152 -0.045 0.251 62 P C -1.847 175.406 177.300 -0.078 0.000 1.624 62 P CA 0.404 63.449 63.100 -0.092 0.000 0.907 62 P CB -1.430 30.233 31.700 -0.062 0.000 1.867 63 N N -1.939 116.715 118.700 -0.076 0.000 3.137 63 N HA 0.150 4.865 4.740 -0.042 0.000 0.265 63 N C -0.048 175.434 175.510 -0.046 0.000 0.926 63 N CA 1.197 54.222 53.050 -0.041 0.000 1.169 63 N CB 3.160 41.647 38.487 0.000 0.000 1.394 63 N HN 0.310 8.550 8.380 -0.081 0.091 1.009 64 V N -4.971 114.940 119.914 -0.005 0.000 3.161 64 V HA 0.326 4.502 4.120 0.094 0.000 0.228 64 V C 0.140 176.311 176.094 0.129 0.000 1.415 64 V CA 0.290 62.659 62.300 0.114 0.000 1.285 64 V CB 1.475 33.425 31.823 0.211 0.000 1.100 64 V HN -0.443 7.746 8.190 -0.002 0.000 0.478 65 T N 2.656 117.245 114.554 0.057 0.000 10.310 65 T HA -0.466 3.895 4.350 0.018 0.000 0.612 65 T C -0.676 174.062 174.700 0.063 0.000 1.249 65 T CA 2.437 64.559 62.100 0.036 0.000 3.258 65 T CB -0.367 68.510 68.868 0.014 0.000 2.548 65 T HN -0.073 8.189 8.240 0.037 0.000 0.326 66 D N 2.264 122.671 120.400 0.013 0.000 3.058 66 D HA 0.312 4.952 4.640 -0.000 0.000 0.272 66 D C -1.136 175.135 176.300 -0.049 0.000 1.350 66 D CA -0.176 53.807 54.000 -0.027 0.000 0.863 66 D CB -0.377 40.367 40.800 -0.093 0.000 1.064 66 D HN 0.283 8.636 8.370 -0.029 0.000 0.488 67 F N 0.236 120.087 119.950 -0.165 0.000 2.450 67 F HA 0.529 4.744 4.527 -0.520 0.000 0.328 67 F C -2.164 173.577 175.800 -0.098 0.000 1.068 67 F CA -4.140 53.716 58.000 -0.240 0.000 1.007 67 F CB 1.068 40.044 39.000 -0.040 0.000 1.251 67 F HN -0.544 7.897 8.300 0.368 0.080 0.492 68 P HA 0.116 4.287 4.420 -0.414 0.000 0.260 68 P C -2.086 174.602 177.300 -1.021 0.000 1.207 68 P CA -1.442 61.258 63.100 -0.666 0.000 0.780 68 P CB -0.923 30.589 31.700 -0.313 0.000 0.789 69 P HA 0.033 4.410 4.420 -0.070 0.000 0.231 69 P C -1.157 176.210 177.300 0.112 0.000 1.756 69 P CA -1.331 61.674 63.100 -0.158 0.000 0.990 69 P CB -1.428 30.239 31.700 -0.055 0.000 1.973 70 F N 3.088 123.012 119.950 -0.042 0.000 2.126 70 F HA -0.390 4.177 4.527 0.066 0.000 0.448 70 F C -1.487 174.470 175.800 0.262 0.000 0.870 70 F CA 1.478 59.554 58.000 0.127 0.000 1.025 70 F CB -0.027 39.094 39.000 0.202 0.000 0.805 70 F HN -0.060 8.076 8.300 -0.151 0.074 0.505 71 H N 8.767 127.525 119.070 -0.521 0.000 2.887 71 H HA 0.137 4.632 4.556 -0.101 0.000 0.300 71 H C -0.902 174.185 175.328 -0.402 0.000 1.038 71 H CA -0.961 54.920 56.048 -0.277 0.000 1.352 71 H CB 1.192 30.862 29.762 -0.154 0.000 1.473 71 H HN -0.018 7.959 8.280 -0.506 0.000 0.503 72 A N 7.209 129.862 122.820 -0.278 0.000 2.981 72 A HA -0.052 4.122 4.320 -0.244 0.000 0.280 72 A C -0.514 177.024 177.584 -0.076 0.000 1.797 72 A CA 0.019 51.965 52.037 -0.151 0.000 1.456 72 A CB -0.852 18.178 19.000 0.052 0.000 1.057 72 A HN 0.685 8.729 8.150 -0.177 0.000 0.602 73 N N 5.483 124.141 118.700 -0.071 0.000 3.324 73 N HA -0.016 4.716 4.740 -0.013 0.000 0.302 73 N C 0.055 175.559 175.510 -0.011 0.000 1.360 73 N CA -2.372 50.666 53.050 -0.020 0.000 1.190 73 N CB -0.821 37.667 38.487 0.003 0.000 1.462 73 N HN 0.212 8.489 8.380 -0.116 0.033 0.532 74 G N 1.606 110.404 108.800 -0.003 0.000 2.424 74 G HA2 -0.439 3.538 3.960 0.029 0.000 0.290 74 G HA3 -0.439 3.532 3.960 0.018 0.000 0.290 74 G C -1.219 173.698 174.900 0.029 0.000 0.912 74 G CA 1.345 46.456 45.100 0.018 0.000 1.142 74 G HN -0.158 7.990 8.290 -0.011 0.136 0.501 75 T N -1.957 112.615 114.554 0.029 0.000 2.864 75 T HA 0.197 4.584 4.350 0.061 0.000 0.299 75 T C -0.298 174.453 174.700 0.086 0.000 1.011 75 T CA -1.778 60.352 62.100 0.049 0.000 0.975 75 T CB 1.904 70.785 68.868 0.020 0.000 0.962 75 T HN -0.577 7.660 8.240 0.012 0.010 0.448 76 E N 8.701 128.977 120.200 0.126 0.000 2.045 76 E HA -0.621 3.836 4.350 0.178 0.000 0.212 76 E C 1.398 178.106 176.600 0.179 0.000 1.039 76 E CA 3.931 60.437 56.400 0.177 0.000 0.860 76 E CB -0.742 29.082 29.700 0.207 0.000 0.776 76 E HN 0.674 9.102 8.360 0.114 0.000 0.467 77 K N -0.827 119.678 120.400 0.176 0.000 2.089 77 K HA -0.397 3.924 4.320 0.002 0.000 0.210 77 K C 2.269 178.879 176.600 0.016 0.000 1.048 77 K CA 3.268 59.575 56.287 0.034 0.000 0.926 77 K CB -0.138 32.319 32.500 -0.072 0.000 0.714 77 K HN -0.371 8.027 8.250 0.247 0.000 0.448 78 A N -2.310 120.518 122.820 0.014 0.000 1.929 78 A HA -0.157 4.135 4.320 -0.047 0.000 0.216 78 A C 2.334 179.897 177.584 -0.036 0.000 1.176 78 A CA 2.835 54.846 52.037 -0.043 0.000 0.628 78 A CB -0.775 18.168 19.000 -0.095 0.000 0.816 78 A HN -0.671 7.382 8.150 0.029 0.114 0.444 79 K N -0.447 119.995 120.400 0.070 0.000 2.026 79 K HA -0.305 4.096 4.320 0.135 0.000 0.208 79 K C 2.732 179.696 176.600 0.608 0.000 1.048 79 K CA 3.457 59.948 56.287 0.340 0.000 0.929 79 K CB -0.017 32.727 32.500 0.407 0.000 0.713 79 K HN 0.079 8.271 8.250 0.079 0.105 0.439 80 L N -1.791 119.658 121.223 0.376 0.000 2.072 80 L HA -0.288 4.230 4.340 0.297 0.000 0.205 80 L C 1.980 179.009 176.870 0.264 0.000 1.079 80 L CA 2.976 57.978 54.840 0.271 0.000 0.752 80 L CB -0.180 41.950 42.059 0.117 0.000 0.906 80 L HN 0.283 8.675 8.230 0.270 0.000 0.436 81 V N -0.213 119.804 119.914 0.171 0.000 2.323 81 V HA -0.519 3.662 4.120 0.101 0.000 0.244 81 V C 1.990 178.238 176.094 0.257 0.000 1.041 81 V CA 5.140 67.522 62.300 0.136 0.000 1.025 81 V CB -0.353 31.474 31.823 0.007 0.000 0.656 81 V HN 0.414 8.564 8.190 0.122 0.113 0.451 82 E N -1.139 119.210 120.200 0.249 0.000 2.150 82 E HA -0.292 4.188 4.350 0.217 0.000 0.193 82 E C 2.817 179.767 176.600 0.583 0.000 0.985 82 E CA 2.748 59.336 56.400 0.313 0.000 0.814 82 E CB -0.443 29.287 29.700 0.050 0.000 0.752 82 E HN 0.100 8.442 8.360 0.166 0.118 0.466 83 L N 1.102 122.770 121.223 0.742 0.000 1.982 83 L HA -0.251 4.259 4.340 0.283 0.000 0.206 83 L C 1.073 178.136 176.870 0.323 0.000 1.078 83 L CA 2.761 57.869 54.840 0.447 0.000 0.749 83 L CB -0.755 41.608 42.059 0.507 0.000 0.894 83 L HN -0.630 8.082 8.230 0.820 0.010 0.436 84 Y N -0.150 120.252 120.300 0.170 0.000 1.967 84 Y HA -0.625 3.951 4.550 0.043 0.000 0.255 84 Y C 1.599 177.562 175.900 0.105 0.000 1.197 84 Y CA 3.967 62.119 58.100 0.086 0.000 1.088 84 Y CB -0.405 38.093 38.460 0.062 0.000 0.917 84 Y HN 0.493 8.928 8.280 0.439 0.109 0.497 85 R N -2.115 118.674 120.500 0.481 0.000 2.136 85 R HA -0.591 3.984 4.340 0.392 0.000 0.242 85 R C 2.173 178.644 176.300 0.285 0.000 1.131 85 R CA 3.513 59.832 56.100 0.365 0.000 0.937 85 R CB -0.420 30.063 30.300 0.306 0.000 0.863 85 R HN 0.110 8.746 8.270 0.610 0.000 0.435 86 M N -0.915 118.873 119.600 0.314 0.000 2.108 86 M HA -0.384 4.555 4.480 0.765 0.000 0.257 86 M C 2.333 178.512 176.300 -0.201 0.000 1.071 86 M CA 3.607 59.105 55.300 0.331 0.000 1.093 86 M CB -0.051 32.789 32.600 0.399 0.000 1.345 86 M HN -0.149 8.164 8.290 0.331 0.175 0.403 87 V N -1.275 118.579 119.914 -0.100 0.000 2.649 87 V HA -0.353 3.662 4.120 -0.175 0.000 0.248 87 V C 1.556 177.504 176.094 -0.243 0.000 1.054 87 V CA 3.860 66.053 62.300 -0.178 0.000 1.073 87 V CB -0.711 31.037 31.823 -0.126 0.000 0.699 87 V HN 0.158 8.238 8.190 0.012 0.117 0.463 88 A N 1.272 123.967 122.820 -0.208 0.000 1.854 88 A HA -0.208 3.997 4.320 -0.192 0.000 0.214 88 A C 1.900 179.454 177.584 -0.050 0.000 1.192 88 A CA 3.309 55.257 52.037 -0.148 0.000 0.611 88 A CB -0.827 18.116 19.000 -0.095 0.000 0.832 88 A HN 0.411 8.251 8.150 -0.145 0.223 0.442 89 Y N -2.159 118.179 120.300 0.064 0.000 2.128 89 Y HA -0.386 4.210 4.550 0.076 0.000 0.284 89 Y C 1.609 177.568 175.900 0.097 0.000 1.154 89 Y CA 1.942 60.095 58.100 0.089 0.000 1.149 89 Y CB -0.932 37.594 38.460 0.110 0.000 0.976 89 Y HN 0.170 8.534 8.280 0.140 0.000 0.505 90 L N 0.323 120.989 121.223 -0.928 0.000 1.988 90 L HA -0.311 3.889 4.340 -0.234 0.000 0.207 90 L C 2.045 178.778 176.870 -0.227 0.000 1.071 90 L CA 2.817 57.312 54.840 -0.574 0.000 0.744 90 L CB 0.295 41.924 42.059 -0.716 0.000 0.893 90 L HN -0.488 6.854 8.230 -1.479 0.000 0.433 91 S N -0.724 114.851 115.700 -0.208 0.000 2.409 91 S HA -0.575 3.819 4.470 -0.127 0.000 0.237 91 S C 1.868 176.417 174.600 -0.086 0.000 1.060 91 S CA 3.805 61.928 58.200 -0.127 0.000 1.052 91 S CB -0.335 62.796 63.200 -0.116 0.000 0.871 91 S HN 0.327 8.346 8.310 -0.262 0.134 0.465 92 A N 0.492 123.279 122.820 -0.055 0.000 1.841 92 A HA -0.247 4.063 4.320 -0.017 0.000 0.214 92 A C 1.784 179.364 177.584 -0.008 0.000 1.195 92 A CA 2.956 54.988 52.037 -0.008 0.000 0.611 92 A CB -0.802 18.224 19.000 0.044 0.000 0.835 92 A HN -0.467 7.627 8.150 -0.068 0.015 0.443 93 S N 0.336 116.050 115.700 0.024 0.000 2.389 93 S HA -0.458 4.008 4.470 -0.006 0.000 0.229 93 S C 2.228 176.785 174.600 -0.071 0.000 1.048 93 S CA 3.663 61.864 58.200 0.002 0.000 1.117 93 S CB -0.223 63.032 63.200 0.092 0.000 1.020 93 S HN -0.386 7.904 8.310 0.059 0.056 0.430 94 L N 0.542 121.701 121.223 -0.107 0.000 2.034 94 L HA -0.392 3.821 4.340 -0.213 0.000 0.217 94 L C 2.323 179.123 176.870 -0.117 0.000 1.077 94 L CA 3.569 58.311 54.840 -0.163 0.000 0.769 94 L CB -0.459 41.484 42.059 -0.194 0.000 0.890 94 L HN 0.471 8.539 8.230 -0.100 0.102 0.435 95 T N 0.843 115.346 114.554 -0.086 0.000 2.580 95 T HA -0.447 3.860 4.350 -0.073 0.000 0.265 95 T C 1.886 176.547 174.700 -0.065 0.000 1.063 95 T CA 4.874 66.933 62.100 -0.068 0.000 1.170 95 T CB -0.414 68.425 68.868 -0.050 0.000 0.863 95 T HN -0.138 7.867 8.240 -0.081 0.187 0.418 96 N N 1.179 119.849 118.700 -0.051 0.000 2.055 96 N HA -0.476 4.243 4.740 -0.035 0.000 0.200 96 N C 1.993 177.479 175.510 -0.039 0.000 1.037 96 N CA 3.597 56.622 53.050 -0.041 0.000 0.881 96 N CB -0.319 38.145 38.487 -0.039 0.000 1.075 96 N HN -0.695 7.658 8.380 -0.046 0.000 0.470 97 I N 1.036 121.579 120.570 -0.044 0.000 2.093 97 I HA -0.613 3.577 4.170 0.033 0.000 0.239 97 I C 1.958 178.074 176.117 -0.002 0.000 1.026 97 I CA 4.241 65.533 61.300 -0.013 0.000 1.295 97 I CB -0.393 37.555 38.000 -0.087 0.000 1.007 97 I HN -0.166 8.006 8.210 -0.062 0.000 0.401 98 T N 0.405 114.933 114.554 -0.043 0.000 2.594 98 T HA -0.527 3.844 4.350 0.036 0.000 0.266 98 T C 2.112 176.739 174.700 -0.122 0.000 1.070 98 T CA 4.830 66.895 62.100 -0.058 0.000 1.166 98 T CB -0.698 68.103 68.868 -0.111 0.000 0.862 98 T HN 0.261 8.400 8.240 -0.070 0.059 0.436 99 R N 0.996 121.425 120.500 -0.118 0.000 2.075 99 R HA -0.385 3.855 4.340 -0.168 0.000 0.230 99 R C 1.940 178.217 176.300 -0.039 0.000 1.140 99 R CA 3.512 59.549 56.100 -0.105 0.000 0.928 99 R CB -0.210 30.046 30.300 -0.074 0.000 0.834 99 R HN -0.450 7.695 8.270 -0.097 0.067 0.429 100 D N -0.714 119.682 120.400 -0.007 0.000 2.133 100 D HA -0.367 4.283 4.640 0.017 0.000 0.192 100 D C 2.996 179.328 176.300 0.054 0.000 1.001 100 D CA 3.731 57.747 54.000 0.026 0.000 0.844 100 D CB -0.378 40.447 40.800 0.042 0.000 0.944 100 D HN -0.076 8.285 8.370 -0.014 0.000 0.447 101 Q N -1.238 118.612 119.800 0.084 0.000 2.049 101 Q HA -0.265 4.144 4.340 0.115 0.000 0.198 101 Q C 2.132 178.202 176.000 0.117 0.000 0.971 101 Q CA 2.862 58.739 55.803 0.123 0.000 0.833 101 Q CB -0.135 28.718 28.738 0.193 0.000 0.896 101 Q HN 0.467 8.670 8.270 0.076 0.112 0.434 102 K N 0.028 120.505 120.400 0.128 0.000 2.144 102 K HA -0.354 4.182 4.320 0.360 0.000 0.209 102 K C 1.923 178.587 176.600 0.106 0.000 1.047 102 K CA 3.200 59.608 56.287 0.202 0.000 0.927 102 K CB -0.189 32.318 32.500 0.012 0.000 0.716 102 K HN -0.059 8.131 8.250 0.084 0.110 0.454 103 V N -3.472 116.476 119.914 0.057 0.000 2.825 103 V HA -0.187 3.957 4.120 0.039 0.000 0.246 103 V C 1.349 177.466 176.094 0.039 0.000 1.068 103 V CA 2.159 64.482 62.300 0.038 0.000 1.088 103 V CB 0.418 32.253 31.823 0.019 0.000 0.733 103 V HN -0.521 7.577 8.190 0.046 0.119 0.468 104 L N -0.872 120.380 121.223 0.049 0.000 2.093 104 L HA -0.229 4.132 4.340 0.034 0.000 0.208 104 L C 0.092 176.985 176.870 0.039 0.000 1.085 104 L CA 1.790 56.657 54.840 0.045 0.000 0.755 104 L CB 1.043 43.140 42.059 0.063 0.000 0.904 104 L HN -0.244 7.796 8.230 0.058 0.225 0.435 105 N N -3.906 114.822 118.700 0.045 0.000 2.310 105 N HA 0.380 5.131 4.740 0.019 0.000 0.292 105 N C -2.403 173.120 175.510 0.021 0.000 1.049 105 N CA -2.546 50.519 53.050 0.026 0.000 0.849 105 N CB 2.146 40.643 38.487 0.016 0.000 1.532 105 N HN 0.072 8.384 8.380 0.061 0.104 0.479 106 P HA 0.011 4.439 4.420 0.013 0.000 0.226 106 P C -0.441 176.853 177.300 -0.009 0.000 1.146 106 P CA 1.667 64.770 63.100 0.004 0.000 0.773 106 P CB 0.438 32.137 31.700 -0.001 0.000 0.772 107 S N -1.470 114.221 115.700 -0.016 0.000 2.468 107 S HA 0.032 4.477 4.470 -0.042 0.000 0.226 107 S C 1.453 176.031 174.600 -0.037 0.000 1.051 107 S CA 1.893 60.071 58.200 -0.037 0.000 0.943 107 S CB 0.260 63.431 63.200 -0.048 0.000 0.810 107 S HN 0.373 8.944 8.310 -0.010 -0.267 0.509 108 A N 3.864 126.679 122.820 -0.009 0.000 1.948 108 A HA -0.284 4.041 4.320 0.009 0.000 0.220 108 A C 1.354 178.953 177.584 0.024 0.000 1.177 108 A CA 2.888 54.941 52.037 0.026 0.000 0.636 108 A CB -0.819 18.227 19.000 0.076 0.000 0.815 108 A HN -0.649 7.603 8.150 -0.003 -0.104 0.449 109 V N -3.299 116.631 119.914 0.027 0.000 2.311 109 V HA -0.547 3.720 4.120 0.244 0.000 0.256 109 V C 1.811 177.673 176.094 -0.387 0.000 1.077 109 V CA 3.372 65.658 62.300 -0.024 0.000 1.067 109 V CB -1.153 30.667 31.823 -0.005 0.000 0.659 109 V HN -0.163 8.038 8.190 0.032 0.008 0.451 110 S N -0.246 115.328 115.700 -0.211 0.000 2.345 110 S HA -0.228 4.080 4.470 -0.269 0.000 0.219 110 S C 1.870 176.354 174.600 -0.192 0.000 1.031 110 S CA 3.089 61.160 58.200 -0.215 0.000 0.984 110 S CB -0.175 62.954 63.200 -0.119 0.000 0.874 110 S HN -0.327 7.781 8.310 -0.115 0.133 0.451 111 L N 0.337 121.501 121.223 -0.098 0.000 2.051 111 L HA -0.397 3.926 4.340 -0.029 0.000 0.214 111 L C 1.713 178.593 176.870 0.017 0.000 1.076 111 L CA 3.104 57.933 54.840 -0.018 0.000 0.758 111 L CB -0.997 41.092 42.059 0.049 0.000 0.890 111 L HN -0.697 7.422 8.230 -0.080 0.062 0.433 112 H N -1.462 117.619 119.070 0.018 0.000 2.326 112 H HA -0.243 4.305 4.556 -0.013 0.000 0.301 112 H C 1.798 177.117 175.328 -0.014 0.000 1.081 112 H CA 1.679 57.727 56.048 -0.001 0.000 1.334 112 H CB -0.959 28.806 29.762 0.005 0.000 1.385 112 H HN 0.425 8.699 8.280 0.010 0.012 0.504 113 S N 1.906 117.420 115.700 -0.311 0.000 2.378 113 S HA -0.471 4.223 4.470 0.085 -0.174 0.229 113 S C 2.196 176.791 174.600 -0.008 0.000 1.052 113 S CA 3.857 61.999 58.200 -0.096 0.000 1.084 113 S CB -0.415 62.662 63.200 -0.205 0.000 0.950 113 S HN -0.500 7.216 8.310 -0.884 0.063 0.440 114 K N 0.301 120.680 120.400 -0.035 0.000 2.074 114 K HA -0.310 4.003 4.320 -0.013 0.000 0.209 114 K C 2.210 178.808 176.600 -0.003 0.000 1.048 114 K CA 3.051 59.330 56.287 -0.013 0.000 0.926 114 K CB -0.327 32.165 32.500 -0.013 0.000 0.713 114 K HN -0.665 7.543 8.250 -0.074 -0.003 0.444 115 L N -0.475 120.749 121.223 0.002 0.000 2.046 115 L HA -0.137 4.162 4.340 -0.068 0.000 0.208 115 L C 2.957 179.823 176.870 -0.007 0.000 1.077 115 L CA 2.846 57.669 54.840 -0.029 0.000 0.747 115 L CB -0.323 41.716 42.059 -0.034 0.000 0.896 115 L HN -0.642 7.492 8.230 0.016 0.106 0.432 116 N N -0.198 118.529 118.700 0.044 0.000 2.060 116 N HA -0.461 4.289 4.740 0.017 0.000 0.195 116 N C 1.675 177.192 175.510 0.012 0.000 1.028 116 N CA 3.836 56.908 53.050 0.037 0.000 0.861 116 N CB -0.696 37.836 38.487 0.074 0.000 1.029 116 N HN 0.375 8.613 8.380 0.092 0.198 0.428 117 A N -0.140 122.687 122.820 0.012 0.000 1.841 117 A HA -0.295 4.028 4.320 0.006 0.000 0.216 117 A C 1.715 179.300 177.584 0.002 0.000 1.199 117 A CA 3.359 55.399 52.037 0.006 0.000 0.621 117 A CB -0.793 18.211 19.000 0.007 0.000 0.835 117 A HN -0.051 8.112 8.150 0.018 -0.002 0.445 118 T N -0.406 114.150 114.554 0.002 0.000 2.714 118 T HA -0.428 3.945 4.350 0.039 0.000 0.268 118 T C 2.220 176.916 174.700 -0.007 0.000 1.036 118 T CA 3.937 66.045 62.100 0.013 0.000 1.148 118 T CB -0.552 68.311 68.868 -0.008 0.000 0.856 118 T HN -0.259 7.981 8.240 0.000 0.000 0.462 119 I N 2.648 123.200 120.570 -0.030 0.000 2.110 119 I HA -0.503 3.634 4.170 -0.054 0.000 0.236 119 I C 1.730 177.828 176.117 -0.032 0.000 1.068 119 I CA 4.131 65.406 61.300 -0.042 0.000 1.333 119 I CB -0.237 37.735 38.000 -0.047 0.000 1.054 119 I HN 0.201 8.376 8.210 -0.031 0.017 0.402 120 D N 0.200 120.588 120.400 -0.019 0.000 2.104 120 D HA -0.271 4.361 4.640 -0.014 0.000 0.194 120 D C 2.652 178.943 176.300 -0.016 0.000 0.994 120 D CA 3.609 57.602 54.000 -0.013 0.000 0.830 120 D CB -0.579 40.219 40.800 -0.003 0.000 0.959 120 D HN 0.097 8.459 8.370 -0.014 0.000 0.452 121 V N -2.139 117.768 119.914 -0.012 0.000 2.469 121 V HA -0.374 3.734 4.120 -0.021 0.000 0.251 121 V C 1.777 177.855 176.094 -0.027 0.000 1.064 121 V CA 3.774 66.065 62.300 -0.016 0.000 1.066 121 V CB -0.365 31.456 31.823 -0.003 0.000 0.667 121 V HN 0.303 8.380 8.190 -0.007 0.109 0.461 122 M N -0.460 119.124 119.600 -0.027 0.000 2.123 122 M HA -0.257 4.197 4.480 -0.042 0.000 0.263 122 M C 1.908 178.159 176.300 -0.083 0.000 1.069 122 M CA 1.546 56.817 55.300 -0.049 0.000 1.133 122 M CB -1.423 31.150 32.600 -0.046 0.000 1.356 122 M HN -0.635 7.537 8.290 -0.019 0.107 0.415 123 R N 0.189 120.646 120.500 -0.071 0.000 2.162 123 R HA -0.503 3.771 4.340 -0.110 0.000 0.245 123 R C 2.528 178.797 176.300 -0.052 0.000 1.129 123 R CA 3.946 60.005 56.100 -0.069 0.000 0.940 123 R CB -0.443 29.840 30.300 -0.028 0.000 0.875 123 R HN 0.666 8.731 8.270 -0.055 0.171 0.437 124 G N -1.675 107.108 108.800 -0.028 0.000 2.446 124 G HA2 -0.348 3.640 3.960 0.048 0.000 0.217 124 G HA3 -0.348 3.585 3.960 -0.044 0.000 0.217 124 G C 0.688 175.558 174.900 -0.051 0.000 1.168 124 G CA 1.708 46.797 45.100 -0.018 0.000 0.771 124 G HN -0.283 7.999 8.290 -0.027 -0.008 0.551 125 L N 2.432 123.611 121.223 -0.075 0.000 1.970 125 L HA -0.377 4.014 4.340 -0.102 -0.113 0.212 125 L C 2.037 178.868 176.870 -0.064 0.000 1.071 125 L CA 2.686 57.472 54.840 -0.090 0.000 0.751 125 L CB 0.012 42.017 42.059 -0.090 0.000 0.889 125 L HN -0.593 7.506 8.230 -0.069 0.090 0.432 126 L N -1.503 119.658 121.223 -0.104 0.000 1.997 126 L HA -0.561 3.845 4.340 0.110 0.000 0.216 126 L C 2.215 179.177 176.870 0.154 0.000 1.074 126 L CA 4.259 59.059 54.840 -0.068 0.000 0.763 126 L CB -0.472 41.248 42.059 -0.564 0.000 0.890 126 L HN 0.483 8.521 8.230 -0.147 0.104 0.434 127 S N -1.143 114.534 115.700 -0.038 0.000 2.380 127 S HA -0.482 3.726 4.470 -0.437 0.000 0.229 127 S C 2.242 176.795 174.600 -0.079 0.000 1.043 127 S CA 4.361 62.412 58.200 -0.249 0.000 1.038 127 S CB -0.425 62.639 63.200 -0.228 0.000 0.872 127 S HN 0.114 8.384 8.310 -0.069 -0.001 0.456 128 N N 1.746 120.479 118.700 0.055 0.000 2.120 128 N HA -0.314 4.553 4.740 0.212 0.000 0.188 128 N C 2.066 177.596 175.510 0.032 0.000 1.024 128 N CA 3.284 56.396 53.050 0.103 0.000 0.852 128 N CB 0.263 38.768 38.487 0.029 0.000 1.003 128 N HN -0.123 8.175 8.380 0.031 0.101 0.424 129 V N 1.866 121.795 119.914 0.025 0.000 2.216 129 V HA -0.396 3.712 4.120 -0.020 0.000 0.243 129 V C 1.556 177.622 176.094 -0.047 0.000 1.044 129 V CA 4.464 66.770 62.300 0.010 0.000 0.995 129 V CB -0.068 31.817 31.823 0.104 0.000 0.633 129 V HN 0.342 8.367 8.190 0.048 0.193 0.446 130 L N -0.803 120.351 121.223 -0.115 0.000 2.081 130 L HA -0.312 4.068 4.340 -0.318 -0.231 0.212 130 L C 2.514 179.302 176.870 -0.136 0.000 1.080 130 L CA 3.293 57.983 54.840 -0.251 0.000 0.754 130 L CB -1.418 40.426 42.059 -0.359 0.000 0.893 130 L HN 0.002 8.248 8.230 0.026 0.000 0.433 131 c N -3.391 115.160 118.600 -0.082 0.000 2.429 131 c HA -0.296 4.267 4.570 -0.013 0.000 0.277 131 c C 2.047 176.146 174.090 0.015 0.000 1.262 131 c CA 2.292 58.612 56.329 -0.015 0.000 1.733 131 c CB -1.248 41.281 42.510 0.031 0.000 2.010 131 c HN -0.045 8.119 8.230 -0.088 0.013 0.483 132 R N -0.240 120.278 120.500 0.031 0.000 2.062 132 R HA -0.196 4.187 4.340 0.072 0.000 0.229 132 R C 0.188 176.586 176.300 0.162 0.000 1.128 132 R CA 1.757 57.907 56.100 0.083 0.000 0.960 132 R CB 0.563 30.914 30.300 0.085 0.000 0.855 132 R HN -0.452 7.756 8.270 0.018 0.073 0.432 133 L N -5.808 115.468 121.223 0.088 0.000 2.384 133 L HA 0.573 4.971 4.340 0.096 0.000 0.261 133 L C -0.336 176.429 176.870 -0.175 0.000 1.024 133 L CA -1.681 53.145 54.840 -0.023 0.000 0.899 133 L CB -0.599 41.364 42.059 -0.161 0.000 1.243 133 L HN 0.155 8.286 8.230 0.022 0.112 0.449 134 c N 3.339 121.861 118.600 -0.130 0.000 2.928 134 c HA -0.105 4.407 4.570 -0.206 -0.065 0.291 134 c C 0.476 174.476 174.090 -0.149 0.000 1.260 134 c CA 2.056 58.298 56.329 -0.146 0.000 1.756 134 c CB -0.523 41.942 42.510 -0.076 0.000 2.125 134 c HN 0.200 8.394 8.230 -0.061 0.000 0.467 135 N N -1.466 117.155 118.700 -0.133 0.000 2.511 135 N HA -0.128 4.597 4.740 -0.122 -0.058 0.190 135 N C -1.223 174.132 175.510 -0.260 0.000 1.037 135 N CA 1.573 54.539 53.050 -0.139 0.000 0.895 135 N CB 1.772 40.215 38.487 -0.075 0.000 1.149 135 N HN 0.112 8.430 8.380 -0.104 0.000 0.437 136 K N -2.828 117.402 120.400 -0.284 0.000 3.394 136 K HA 0.150 3.968 4.320 -0.837 0.000 0.175 136 K C -0.587 175.856 176.600 -0.262 0.000 1.047 136 K CA -0.778 55.249 56.287 -0.432 0.000 0.814 136 K CB 1.343 33.772 32.500 -0.118 0.000 0.803 136 K HN -0.021 8.124 8.250 -0.176 0.000 0.522 137 Y N -4.664 115.623 120.300 -0.021 0.000 2.802 137 Y HA -0.486 4.195 4.550 -0.028 -0.148 0.485 137 Y C -0.293 175.598 175.900 -0.016 0.000 1.190 137 Y CA 2.524 60.612 58.100 -0.020 0.000 2.757 137 Y CB -1.799 36.654 38.460 -0.013 0.000 0.919 137 Y HN 0.251 8.155 8.280 -0.626 0.000 0.540 138 R N -1.106 119.473 120.500 0.131 0.000 2.585 138 R HA 0.352 4.725 4.340 0.055 0.000 0.278 138 R C -1.225 175.096 176.300 0.036 0.000 1.663 138 R CA -0.624 55.518 56.100 0.070 0.000 1.592 138 R CB 0.620 30.964 30.300 0.073 0.000 1.200 138 R HN -0.196 8.062 8.270 0.149 0.101 0.611 139 V N -1.743 118.179 119.914 0.015 0.000 3.744 139 V HA 0.211 4.337 4.120 0.011 0.000 0.183 139 V C -0.460 175.639 176.094 0.008 0.000 1.397 139 V CA 0.487 62.790 62.300 0.006 0.000 1.244 139 V CB 2.828 34.644 31.823 -0.011 0.000 1.227 139 V HN 0.324 8.519 8.190 0.009 0.000 0.569 140 G N -2.618 106.187 108.800 0.008 0.000 4.359 140 G HA2 0.087 4.064 3.960 0.028 0.000 0.184 140 G HA3 0.087 4.116 3.960 0.037 -0.046 0.184 140 G C -2.799 172.144 174.900 0.072 0.000 1.095 140 G CA 1.512 46.632 45.100 0.032 0.000 0.970 140 G HN -0.413 7.874 8.290 -0.006 0.000 0.317 141 H N -1.612 117.418 119.070 -0.067 0.000 3.005 141 H HA 0.162 4.655 4.556 -0.123 -0.012 0.311 141 H C -2.180 173.079 175.328 -0.114 0.000 1.366 141 H CA -1.259 54.732 56.048 -0.096 0.000 1.210 141 H CB 2.387 32.113 29.762 -0.059 0.000 1.894 141 H HN -0.642 7.675 8.280 0.062 0.000 0.520 142 V N -0.961 119.030 119.914 0.129 0.000 3.306 142 V HA 0.021 4.099 4.120 -0.070 0.000 0.264 142 V C -1.380 174.651 176.094 -0.105 0.000 1.149 142 V CA 0.304 62.583 62.300 -0.036 0.000 1.143 142 V CB 1.121 32.890 31.823 -0.090 0.000 0.767 142 V HN 0.220 8.588 8.190 0.298 0.000 0.476 143 D N -3.616 116.614 120.400 -0.283 0.000 10.484 143 D HA -0.335 3.712 4.640 -0.988 0.000 0.318 143 D C -1.845 174.326 176.300 -0.215 0.000 3.002 143 D CA 1.566 55.279 54.000 -0.478 0.000 2.679 143 D CB 0.379 41.027 40.800 -0.253 0.000 1.149 143 D HN -0.393 7.761 8.370 -0.233 0.076 0.891 144 V N 2.328 122.136 119.914 -0.176 0.000 2.462 144 V HA 0.384 4.514 4.120 0.018 0.000 0.288 144 V C -2.685 173.417 176.094 0.013 0.000 1.020 144 V CA -3.038 59.270 62.300 0.012 0.000 0.857 144 V CB 2.666 34.598 31.823 0.182 0.000 1.013 144 V HN -0.010 7.997 8.190 -0.306 0.000 0.431 145 P HA 0.422 4.848 4.420 0.011 0.000 0.280 145 P C -2.114 175.213 177.300 0.046 0.000 1.386 145 P CA -1.870 61.239 63.100 0.015 0.000 0.899 145 P CB -0.265 31.432 31.700 -0.005 0.000 1.098 146 P HA 0.045 4.541 4.420 0.126 0.000 0.244 146 P C -1.282 176.061 177.300 0.072 0.000 1.723 146 P CA -0.093 63.063 63.100 0.094 0.000 1.110 146 P CB -1.029 30.730 31.700 0.099 0.000 1.972 147 V N 1.369 121.311 119.914 0.047 0.000 2.412 147 V HA 0.316 4.459 4.120 0.038 0.000 0.270 147 V C -1.611 174.486 176.094 0.006 0.000 1.169 147 V CA -2.258 60.058 62.300 0.026 0.000 1.319 147 V CB -0.404 31.422 31.823 0.005 0.000 1.467 147 V HN -0.006 8.166 8.190 0.040 0.042 0.535 148 P HA 0.360 4.728 4.420 -0.086 0.000 0.301 148 P C -1.222 176.119 177.300 0.067 0.000 1.309 148 P CA -0.591 62.515 63.100 0.009 0.000 0.782 148 P CB 2.268 34.026 31.700 0.097 0.000 1.282 149 D N -2.604 117.832 120.400 0.061 0.000 2.712 149 D HA -0.046 4.761 4.640 0.278 0.000 0.231 149 D C -1.915 174.437 176.300 0.086 0.000 1.105 149 D CA 1.018 55.114 54.000 0.160 0.000 0.762 149 D CB 0.990 41.831 40.800 0.068 0.000 2.410 149 D HN -0.440 7.856 8.370 -0.123 0.000 0.467 150 H N 2.841 121.940 119.070 0.048 0.000 2.562 150 H HA 0.298 4.883 4.556 0.048 0.000 0.249 150 H C -0.189 175.174 175.328 0.058 0.000 1.195 150 H CA -1.075 55.008 56.048 0.057 0.000 0.938 150 H CB 0.019 29.830 29.762 0.082 0.000 1.891 150 H HN 0.181 8.710 8.280 0.415 0.000 0.595 151 S N 2.404 118.189 115.700 0.141 0.000 2.849 151 S HA 0.095 4.632 4.470 0.112 0.000 0.244 151 S C -0.348 174.299 174.600 0.077 0.000 1.297 151 S CA 0.524 58.785 58.200 0.101 0.000 1.241 151 S CB -0.617 62.629 63.200 0.077 0.000 0.958 151 S HN 0.042 8.740 8.310 0.117 -0.318 0.489 152 D N 0.599 121.047 120.400 0.079 0.000 2.388 152 D HA 0.084 4.747 4.640 0.038 0.000 0.208 152 D C -0.539 175.799 176.300 0.062 0.000 1.035 152 D CA 1.323 55.352 54.000 0.048 0.000 0.875 152 D CB 0.960 41.773 40.800 0.021 0.000 0.984 152 D HN -0.294 8.052 8.370 0.102 0.084 0.508 153 K N -0.970 119.498 120.400 0.114 0.000 2.469 153 K HA 0.322 4.776 4.320 0.223 0.000 0.254 153 K C -0.516 176.252 176.600 0.280 0.000 0.939 153 K CA -1.083 55.342 56.287 0.230 0.000 0.812 153 K CB 3.116 35.684 32.500 0.114 0.000 1.301 153 K HN -0.633 7.652 8.250 0.122 0.038 0.433 154 E N 2.807 123.190 120.200 0.305 0.000 2.081 154 E HA -0.088 4.310 4.350 0.081 0.000 0.213 154 E C 1.648 178.215 176.600 -0.054 0.000 0.921 154 E CA 2.042 58.491 56.400 0.082 0.000 0.936 154 E CB -0.259 29.456 29.700 0.025 0.000 0.981 154 E HN 0.327 8.964 8.360 0.462 0.000 0.502 155 V N -1.734 118.006 119.914 -0.291 0.000 2.363 155 V HA -0.403 3.588 4.120 -0.214 0.000 0.254 155 V C 1.601 177.497 176.094 -0.330 0.000 1.074 155 V CA 4.097 66.167 62.300 -0.383 0.000 1.069 155 V CB -1.195 30.270 31.823 -0.596 0.000 0.659 155 V HN 0.102 8.100 8.190 -0.320 0.000 0.455 156 F N -0.091 119.808 119.950 -0.084 0.000 2.026 156 F HA -0.352 4.029 4.527 -0.243 0.000 0.296 156 F C 2.114 177.873 175.800 -0.069 0.000 1.133 156 F CA 4.235 62.153 58.000 -0.136 0.000 1.188 156 F CB -1.676 37.262 39.000 -0.103 0.000 0.968 156 F HN -0.388 7.430 8.300 -0.757 0.028 0.476 157 Q N -0.358 119.550 119.800 0.181 0.000 2.152 157 Q HA -0.460 3.981 4.340 0.168 0.000 0.206 157 Q C 2.116 178.176 176.000 0.099 0.000 0.985 157 Q CA 3.347 59.234 55.803 0.140 0.000 0.863 157 Q CB -0.675 28.142 28.738 0.132 0.000 0.904 157 Q HN -0.209 8.012 8.270 0.228 0.186 0.422 158 K N -1.139 119.296 120.400 0.058 0.000 2.001 158 K HA -0.239 4.116 4.320 0.058 0.000 0.208 158 K C 2.926 179.595 176.600 0.115 0.000 1.048 158 K CA 2.989 59.311 56.287 0.058 0.000 0.932 158 K CB -0.145 32.366 32.500 0.018 0.000 0.715 158 K HN -0.274 7.977 8.250 0.032 0.019 0.437 159 K N -0.862 119.595 120.400 0.095 0.000 2.057 159 K HA -0.231 4.234 4.320 0.242 0.000 0.207 159 K C 2.253 179.110 176.600 0.428 0.000 1.049 159 K CA 3.257 59.669 56.287 0.208 0.000 0.931 159 K CB 0.306 32.825 32.500 0.031 0.000 0.714 159 K HN -0.396 7.865 8.250 0.019 0.000 0.440 160 K N -1.072 119.492 120.400 0.273 0.000 2.404 160 K HA 0.112 4.935 4.320 0.838 0.000 0.194 160 K C 1.679 178.509 176.600 0.383 0.000 1.023 160 K CA -0.970 55.585 56.287 0.446 0.000 1.094 160 K CB -1.086 31.540 32.500 0.210 0.000 0.841 160 K HN 0.422 8.628 8.250 0.105 0.106 0.523 161 L N -0.842 120.532 121.223 0.251 0.000 2.123 161 L HA -0.438 3.887 4.340 -0.000 0.015 0.217 161 L C 0.602 177.510 176.870 0.063 0.000 1.081 161 L CA 2.932 57.813 54.840 0.069 0.000 0.772 161 L CB -0.259 41.805 42.059 0.008 0.000 0.890 161 L HN 0.188 8.338 8.230 0.232 0.219 0.437 162 G N -6.661 102.257 108.800 0.197 0.000 2.641 162 G HA2 0.139 4.078 3.960 -0.035 0.000 0.207 162 G HA3 0.139 3.898 3.960 -0.335 0.000 0.207 162 G C 0.769 175.819 174.900 0.250 0.000 1.137 162 G CA 0.632 45.737 45.100 0.009 0.000 0.824 162 G HN -0.565 7.931 8.290 0.397 0.032 0.547 163 c N 4.388 123.432 118.600 0.741 0.000 2.398 163 c HA -0.498 4.650 4.570 0.963 0.000 0.276 163 c C 1.580 175.884 174.090 0.357 0.000 1.222 163 c CA 3.118 59.936 56.329 0.817 0.000 1.746 163 c CB -1.394 41.743 42.510 1.045 0.000 2.039 163 c HN 0.389 9.149 8.230 0.995 0.068 0.470 164 Q N -0.653 119.327 119.800 0.301 0.000 2.308 164 Q HA -0.401 4.043 4.340 0.116 -0.034 0.209 164 Q C 2.446 178.496 176.000 0.083 0.000 0.985 164 Q CA 3.162 59.064 55.803 0.166 0.000 0.881 164 Q CB -0.388 28.467 28.738 0.195 0.000 0.917 164 Q HN -0.176 8.306 8.270 0.354 0.000 0.443 165 L N -0.588 120.707 121.223 0.118 0.000 2.187 165 L HA 0.114 4.492 4.340 0.063 0.000 0.197 165 L C 2.458 179.282 176.870 -0.076 0.000 1.090 165 L CA 1.823 56.701 54.840 0.063 0.000 0.781 165 L CB 0.188 42.321 42.059 0.123 0.000 0.956 165 L HN 0.230 8.401 8.230 0.187 0.172 0.463 166 L N -1.176 119.954 121.223 -0.155 0.000 2.103 166 L HA -0.412 3.825 4.340 -0.172 0.000 0.215 166 L C 2.932 179.419 176.870 -0.639 0.000 1.080 166 L CA 3.118 57.772 54.840 -0.310 0.000 0.764 166 L CB -1.724 40.295 42.059 -0.067 0.000 0.890 166 L HN 0.481 8.559 8.230 -0.062 0.115 0.435 167 G N -2.529 105.761 108.800 -0.849 0.000 2.459 167 G HA2 -0.387 3.005 3.960 -0.947 0.000 0.217 167 G HA3 -0.387 3.526 3.960 -0.440 -0.217 0.217 167 G C 0.669 175.376 174.900 -0.321 0.000 1.183 167 G CA 2.762 47.459 45.100 -0.671 0.000 0.776 167 G HN 0.598 8.496 8.290 -0.628 0.016 0.552 168 T N 3.458 117.852 114.554 -0.266 0.000 2.643 168 T HA -0.372 3.798 4.350 -0.300 0.000 0.256 168 T C 1.677 176.200 174.700 -0.294 0.000 1.061 168 T CA 3.144 65.041 62.100 -0.339 0.000 1.163 168 T CB -0.600 67.945 68.868 -0.537 0.000 0.865 168 T HN -0.818 7.275 8.240 -0.245 0.000 0.407 169 Y N 3.681 123.765 120.300 -0.361 0.000 2.136 169 Y HA -0.599 3.831 4.550 -0.200 0.000 0.271 169 Y C 1.450 177.236 175.900 -0.190 0.000 1.252 169 Y CA 3.557 61.520 58.100 -0.228 0.000 1.117 169 Y CB -0.203 38.159 38.460 -0.163 0.000 0.932 169 Y HN 0.372 8.491 8.280 -0.126 0.086 0.512 170 K N -2.307 118.072 120.400 -0.035 0.000 1.973 170 K HA -0.497 3.732 4.320 -0.151 0.000 0.212 170 K C 2.236 178.739 176.600 -0.161 0.000 1.047 170 K CA 3.326 59.555 56.287 -0.097 0.000 0.937 170 K CB -0.360 32.129 32.500 -0.020 0.000 0.721 170 K HN -0.039 8.093 8.250 0.000 0.118 0.440 171 Q N -1.802 117.915 119.800 -0.137 0.000 2.173 171 Q HA -0.299 3.993 4.340 -0.081 0.000 0.208 171 Q C 3.222 179.153 176.000 -0.115 0.000 0.989 171 Q CA 3.173 58.910 55.803 -0.110 0.000 0.872 171 Q CB -0.223 28.456 28.738 -0.098 0.000 0.909 171 Q HN -0.512 7.674 8.270 -0.140 0.000 0.420 172 V N -2.849 116.969 119.914 -0.160 0.000 2.446 172 V HA -0.177 3.947 4.120 0.007 0.000 0.244 172 V C 1.607 177.546 176.094 -0.259 0.000 1.039 172 V CA 2.978 65.223 62.300 -0.093 0.000 1.045 172 V CB -0.439 31.390 31.823 0.010 0.000 0.681 172 V HN 0.315 8.239 8.190 -0.222 0.132 0.459 173 I N 1.927 122.278 120.570 -0.365 0.000 2.151 173 I HA -0.485 3.397 4.170 -0.481 0.000 0.243 173 I C 2.090 178.003 176.117 -0.340 0.000 1.080 173 I CA 3.139 64.164 61.300 -0.458 0.000 1.339 173 I CB -1.113 36.485 38.000 -0.671 0.000 1.039 173 I HN 0.516 8.370 8.210 -0.387 0.125 0.409 174 S N -0.820 114.733 115.700 -0.246 0.000 2.493 174 S HA -0.225 4.144 4.470 -0.169 0.000 0.243 174 S C 0.935 175.429 174.600 -0.178 0.000 0.991 174 S CA 3.057 61.152 58.200 -0.175 0.000 0.957 174 S CB -0.301 62.832 63.200 -0.112 0.000 0.756 174 S HN 0.325 8.499 8.310 -0.232 -0.003 0.521 175 V N -1.878 117.906 119.914 -0.217 0.000 3.212 175 V HA 0.007 4.057 4.120 -0.116 0.000 0.244 175 V C 0.483 176.371 176.094 -0.344 0.000 1.151 175 V CA 1.349 63.545 62.300 -0.173 0.000 1.119 175 V CB 1.193 32.999 31.823 -0.028 0.000 0.838 175 V HN -0.358 7.435 8.190 -0.256 0.243 0.470 176 V N -4.996 114.539 119.914 -0.632 0.000 2.535 176 V HA 0.011 3.606 4.120 -0.875 0.000 0.246 176 V C 1.976 177.375 176.094 -1.158 0.000 1.045 176 V CA 2.303 64.031 62.300 -0.952 0.000 1.058 176 V CB 0.205 31.441 31.823 -0.979 0.000 0.689 176 V HN -0.347 7.391 8.190 -0.566 0.112 0.461 177 V N 1.177 120.683 119.914 -0.680 0.000 2.720 177 V HA -0.351 3.487 4.120 -0.469 0.000 0.256 177 V C 0.196 176.049 176.094 -0.402 0.000 1.082 177 V CA 2.915 64.936 62.300 -0.465 0.000 1.101 177 V CB -0.487 31.188 31.823 -0.246 0.000 0.693 177 V HN 0.337 8.105 8.190 -0.520 0.110 0.479 178 Q N -4.694 114.876 119.800 -0.384 0.000 2.157 178 Q HA 0.143 4.375 4.340 -0.181 0.000 0.229 178 Q C -0.859 175.017 176.000 -0.206 0.000 0.827 178 Q CA -0.407 55.260 55.803 -0.226 0.000 1.055 178 Q CB 0.265 28.919 28.738 -0.141 0.000 1.157 178 Q HN -0.181 7.740 8.270 -0.421 0.095 0.482 179 A N -0.774 121.822 122.820 -0.374 0.000 1.984 179 A HA 0.297 4.611 4.320 -0.010 0.000 0.203 179 A C -1.447 176.114 177.584 -0.038 0.000 1.292 179 A CA 1.752 53.697 52.037 -0.152 0.000 0.782 179 A CB 2.379 21.352 19.000 -0.045 0.000 0.924 179 A HN 0.394 7.912 8.150 -0.696 0.215 0.475 180 F N 0.000 119.994 119.950 0.073 0.000 2.286 180 F HA 0.000 4.564 4.527 0.061 0.000 0.279 180 F CA 0.000 58.036 58.000 0.060 0.000 1.383 180 F CB 0.000 39.046 39.000 0.077 0.000 1.145 180 F HN 0.000 7.648 8.300 -1.086 0.000 0.574