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 2few_1_A DATA FIRST_RESID 4 DATA SEQUENCE LFKLGAENIF LGRKAATKEE AIRFAGEQLV KGGYVEPEYV QAMLDREKLT DATA SEQUENCE PTYLGESIAV PQGTVEAKDR VLKTGVVFCQ YPEGVRFGEE EDDIARLVIG DATA SEQUENCE IAARNNEHIQ VITSLTNALD DESVIERLAH TTSVDEVLEL LAGR 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 4 L HA 0.000 4.319 4.340 -0.034 0.000 0.249 4 L C 0.000 176.886 176.870 0.027 0.000 1.165 4 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 4 L CB 0.000 42.105 42.059 0.076 0.000 0.961 5 F N -2.961 116.978 119.950 -0.017 0.000 2.578 5 F HA 0.392 4.915 4.527 -0.006 0.000 0.311 5 F C -1.591 174.204 175.800 -0.007 0.000 1.094 5 F CA -2.265 55.724 58.000 -0.018 0.000 0.923 5 F CB 1.196 40.168 39.000 -0.047 0.000 1.230 5 F HN -0.765 6.930 8.300 -1.007 0.000 0.450 6 K N 2.307 122.817 120.400 0.184 0.000 2.218 6 K HA 0.222 4.552 4.320 0.017 0.000 0.276 6 K C -1.490 175.238 176.600 0.213 0.000 1.022 6 K CA -0.218 56.142 56.287 0.122 0.000 0.946 6 K CB 0.963 33.536 32.500 0.121 0.000 1.000 6 K HN 0.393 8.779 8.250 0.227 0.000 0.468 7 L N 1.984 123.289 121.223 0.137 0.000 2.438 7 L HA 0.106 4.525 4.340 0.131 0.000 0.270 7 L C -1.813 175.081 176.870 0.040 0.000 0.972 7 L CA -0.468 54.447 54.840 0.125 0.000 0.831 7 L CB 2.593 44.756 42.059 0.172 0.000 1.273 7 L HN 0.025 8.294 8.230 0.064 0.000 0.405 8 G N 2.106 110.915 108.800 0.014 0.000 2.782 8 G HA2 0.292 4.235 3.960 -0.028 0.000 0.304 8 G HA3 0.292 4.250 3.960 -0.003 0.000 0.304 8 G C -0.976 173.887 174.900 -0.061 0.000 1.315 8 G CA 0.091 45.180 45.100 -0.019 0.000 0.791 8 G HN 0.219 8.892 8.290 0.020 -0.372 0.519 9 A N -0.706 122.074 122.820 -0.067 0.000 1.933 9 A HA -0.194 4.049 4.320 -0.127 0.000 0.218 9 A C 1.780 179.276 177.584 -0.147 0.000 1.175 9 A CA 2.818 54.794 52.037 -0.102 0.000 0.628 9 A CB -0.418 18.544 19.000 -0.064 0.000 0.814 9 A HN 0.402 8.525 8.150 -0.045 0.000 0.444 10 E N -2.787 117.365 120.200 -0.080 0.000 2.333 10 E HA -0.209 4.114 4.350 -0.045 0.000 0.198 10 E C -0.271 176.268 176.600 -0.101 0.000 1.007 10 E CA 1.722 58.093 56.400 -0.049 0.000 0.845 10 E CB -0.439 29.285 29.700 0.040 0.000 0.766 10 E HN 0.562 8.883 8.360 -0.039 0.016 0.507 11 N N -4.125 114.479 118.700 -0.160 0.000 2.365 11 N HA 0.168 4.894 4.740 -0.023 0.000 0.257 11 N C -1.986 173.343 175.510 -0.302 0.000 1.287 11 N CA -1.173 51.800 53.050 -0.129 0.000 0.882 11 N CB 1.038 39.576 38.487 0.086 0.000 1.250 11 N HN -0.497 7.653 8.380 -0.131 0.152 0.507 12 I N 0.891 121.101 120.570 -0.600 0.000 2.389 12 I HA 0.336 4.663 4.170 0.026 -0.141 0.288 12 I C -1.294 174.447 176.117 -0.628 0.000 0.999 12 I CA -0.133 60.962 61.300 -0.341 0.000 1.129 12 I CB 2.280 40.163 38.000 -0.194 0.000 1.288 12 I HN -0.850 6.955 8.210 -0.675 0.000 0.444 13 F N 7.322 127.414 119.950 0.238 0.000 2.513 13 F HA 0.360 4.959 4.527 0.121 0.000 0.358 13 F C -1.449 174.375 175.800 0.041 0.000 1.118 13 F CA -1.458 56.629 58.000 0.144 0.000 1.037 13 F CB 1.352 40.489 39.000 0.229 0.000 1.276 13 F HN 0.977 9.495 8.300 0.364 0.000 0.446 14 L N 3.025 124.327 121.223 0.132 0.000 2.375 14 L HA 0.094 4.463 4.340 0.048 0.000 0.268 14 L C 0.515 177.359 176.870 -0.044 0.000 1.058 14 L CA -0.640 54.227 54.840 0.045 0.000 0.803 14 L CB 0.997 43.087 42.059 0.051 0.000 1.212 14 L HN 0.356 8.654 8.230 0.112 0.000 0.451 15 G N -0.730 108.019 108.800 -0.086 0.000 2.305 15 G HA2 -0.426 3.485 3.960 -0.081 0.000 0.287 15 G HA3 -0.426 3.505 3.960 -0.048 0.000 0.287 15 G C 0.057 174.853 174.900 -0.174 0.000 1.036 15 G CA 0.415 45.457 45.100 -0.097 0.000 0.887 15 G HN 0.350 8.958 8.290 -0.066 -0.358 0.505 16 R N -1.540 118.732 120.500 -0.380 0.000 2.583 16 R HA -0.024 4.128 4.340 -0.313 0.000 0.268 16 R C -0.699 175.466 176.300 -0.224 0.000 1.101 16 R CA -1.168 54.645 56.100 -0.477 0.000 1.180 16 R CB 1.582 31.264 30.300 -1.030 0.000 1.128 16 R HN 0.220 8.199 8.270 -0.486 0.000 0.568 17 K N -0.913 119.486 120.400 -0.002 0.000 2.498 17 K HA 0.266 4.749 4.320 0.272 0.000 0.254 17 K C -1.576 175.154 176.600 0.218 0.000 0.933 17 K CA -0.698 55.692 56.287 0.171 0.000 0.806 17 K CB 2.482 35.014 32.500 0.054 0.000 1.301 17 K HN 0.104 8.310 8.250 -0.074 0.000 0.432 18 A N 2.748 125.665 122.820 0.161 0.000 2.513 18 A HA 0.282 4.621 4.320 0.031 0.000 0.296 18 A C -1.982 175.581 177.584 -0.035 0.000 1.052 18 A CA 0.031 52.083 52.037 0.025 0.000 0.714 18 A CB 2.852 21.801 19.000 -0.086 0.000 1.279 18 A HN 0.385 8.631 8.150 0.160 0.000 0.397 19 A N 1.614 124.410 122.820 -0.039 0.000 2.016 19 A HA 0.021 4.316 4.320 -0.042 0.000 0.217 19 A C -0.016 177.511 177.584 -0.094 0.000 1.162 19 A CA 1.030 53.035 52.037 -0.053 0.000 0.662 19 A CB 0.791 19.766 19.000 -0.041 0.000 0.812 19 A HN 0.247 8.499 8.150 -0.028 -0.119 0.450 20 T N -4.474 110.008 114.554 -0.121 0.000 2.906 20 T HA 0.288 4.518 4.350 -0.199 0.000 0.295 20 T C 0.348 174.891 174.700 -0.261 0.000 1.075 20 T CA -1.969 60.022 62.100 -0.182 0.000 1.005 20 T CB 2.812 71.590 68.868 -0.150 0.000 1.136 20 T HN -0.539 7.857 8.240 -0.100 -0.216 0.498 21 K N 1.222 121.350 120.400 -0.453 0.000 2.148 21 K HA -0.298 3.640 4.320 -0.636 0.000 0.204 21 K C 1.860 178.241 176.600 -0.366 0.000 1.050 21 K CA 3.408 59.226 56.287 -0.781 0.000 0.942 21 K CB -0.689 30.794 32.500 -1.695 0.000 0.724 21 K HN 0.727 8.710 8.250 -0.446 0.000 0.446 22 E N -0.373 119.674 120.200 -0.255 0.000 2.077 22 E HA -0.295 3.995 4.350 -0.101 0.000 0.193 22 E C 2.356 178.928 176.600 -0.046 0.000 0.989 22 E CA 3.946 60.273 56.400 -0.121 0.000 0.800 22 E CB -0.701 28.936 29.700 -0.106 0.000 0.746 22 E HN 0.352 8.533 8.360 -0.277 0.013 0.452 23 E N -0.170 120.000 120.200 -0.050 0.000 2.077 23 E HA -0.345 4.022 4.350 0.028 0.000 0.193 23 E C 2.359 179.001 176.600 0.071 0.000 0.989 23 E CA 2.744 59.149 56.400 0.008 0.000 0.800 23 E CB -0.249 29.444 29.700 -0.011 0.000 0.746 23 E HN -0.569 7.736 8.360 -0.092 0.000 0.452 24 A N 0.208 123.046 122.820 0.030 0.000 1.902 24 A HA -0.193 4.236 4.320 0.182 0.000 0.217 24 A C 2.095 179.813 177.584 0.225 0.000 1.181 24 A CA 2.925 55.022 52.037 0.101 0.000 0.623 24 A CB -0.376 18.577 19.000 -0.079 0.000 0.818 24 A HN -0.592 7.528 8.150 -0.051 0.000 0.443 25 I N -1.098 119.590 120.570 0.197 0.000 2.226 25 I HA -0.564 3.721 4.170 0.193 0.000 0.245 25 I C 1.716 177.905 176.117 0.120 0.000 1.100 25 I CA 4.437 65.841 61.300 0.173 0.000 1.374 25 I CB -0.285 37.798 38.000 0.138 0.000 1.057 25 I HN 0.275 8.577 8.210 0.152 0.000 0.413 26 R N -0.496 120.065 120.500 0.102 0.000 2.096 26 R HA -0.402 3.967 4.340 0.049 0.000 0.235 26 R C 1.996 178.356 176.300 0.101 0.000 1.127 26 R CA 3.772 59.919 56.100 0.080 0.000 0.968 26 R CB -0.324 30.017 30.300 0.067 0.000 0.861 26 R HN -0.052 8.272 8.270 0.091 0.000 0.440 27 F N 0.308 120.268 119.950 0.016 0.000 2.113 27 F HA -0.130 4.549 4.527 -0.038 -0.174 0.297 27 F C 1.166 176.939 175.800 -0.046 0.000 1.103 27 F CA 2.875 60.862 58.000 -0.020 0.000 1.248 27 F CB 0.059 39.061 39.000 0.003 0.000 0.999 27 F HN -0.393 7.992 8.300 0.302 0.096 0.475 28 A N -0.569 122.259 122.820 0.014 0.000 1.883 28 A HA -0.392 3.802 4.320 -0.211 0.000 0.217 28 A C 2.153 179.676 177.584 -0.102 0.000 1.186 28 A CA 3.081 55.071 52.037 -0.079 0.000 0.624 28 A CB -0.793 18.259 19.000 0.087 0.000 0.822 28 A HN 0.119 8.424 8.150 0.257 0.000 0.444 29 G N -2.281 106.514 108.800 -0.008 0.000 2.440 29 G HA2 -0.397 3.648 3.960 0.141 0.000 0.218 29 G HA3 -0.397 3.605 3.960 0.070 0.000 0.218 29 G C 1.511 176.404 174.900 -0.012 0.000 1.154 29 G CA 1.882 47.013 45.100 0.053 0.000 0.767 29 G HN 0.299 8.605 8.290 0.027 0.000 0.552 30 E N 1.800 121.934 120.200 -0.109 0.000 2.110 30 E HA -0.387 3.928 4.350 -0.058 0.000 0.193 30 E C 2.847 179.330 176.600 -0.195 0.000 0.988 30 E CA 3.348 59.664 56.400 -0.140 0.000 0.804 30 E CB -0.170 29.424 29.700 -0.177 0.000 0.745 30 E HN -0.086 8.121 8.360 -0.125 0.078 0.458 31 Q N -1.134 118.450 119.800 -0.359 0.000 2.172 31 Q HA -0.183 4.021 4.340 -0.226 0.000 0.200 31 Q C 2.783 178.791 176.000 0.015 0.000 0.964 31 Q CA 2.196 57.834 55.803 -0.275 0.000 0.855 31 Q CB -0.341 28.067 28.738 -0.550 0.000 0.918 31 Q HN -0.175 7.708 8.270 -0.504 0.084 0.444 32 L N -0.557 120.688 121.223 0.037 0.000 2.083 32 L HA -0.386 4.169 4.340 0.357 0.000 0.209 32 L C 2.038 179.018 176.870 0.184 0.000 1.083 32 L CA 3.382 58.333 54.840 0.185 0.000 0.752 32 L CB -0.503 41.607 42.059 0.085 0.000 0.899 32 L HN -0.003 8.118 8.230 -0.041 0.084 0.433 33 V N -0.139 119.821 119.914 0.076 0.000 2.307 33 V HA -0.376 3.997 4.120 0.042 -0.227 0.245 33 V C 2.868 178.970 176.094 0.013 0.000 1.045 33 V CA 3.768 66.093 62.300 0.042 0.000 1.024 33 V CB -0.257 31.584 31.823 0.030 0.000 0.651 33 V HN -0.182 7.953 8.190 0.045 0.083 0.449 34 K N 0.867 121.272 120.400 0.009 0.000 2.103 34 K HA -0.287 4.029 4.320 -0.008 0.000 0.207 34 K C 1.732 178.326 176.600 -0.009 0.000 1.048 34 K CA 2.901 59.189 56.287 0.002 0.000 0.930 34 K CB -0.140 32.361 32.500 0.002 0.000 0.716 34 K HN 0.090 8.230 8.250 -0.003 0.109 0.444 35 G N -4.002 104.804 108.800 0.011 0.000 3.088 35 G HA2 0.168 4.062 3.960 -0.111 0.000 0.212 35 G HA3 0.168 4.086 3.960 -0.071 0.000 0.212 35 G C -0.731 173.850 174.900 -0.532 0.000 1.173 35 G CA -0.745 44.252 45.100 -0.173 0.000 0.779 35 G HN -0.315 8.045 8.290 0.117 0.000 0.540 36 G N -1.606 107.008 108.800 -0.310 0.000 2.160 36 G HA2 -0.355 3.515 3.960 -0.150 0.000 0.251 36 G HA3 -0.355 3.435 3.960 -0.284 0.000 0.251 36 G C -0.022 174.685 174.900 -0.321 0.000 1.008 36 G CA 1.103 46.035 45.100 -0.279 0.000 0.724 36 G HN -0.347 7.662 8.290 -0.150 0.191 0.514 37 Y N -1.895 118.376 120.300 -0.047 0.000 2.286 37 Y HA -0.138 4.373 4.550 -0.065 0.000 0.293 37 Y C -0.011 175.809 175.900 -0.135 0.000 1.124 37 Y CA 1.988 60.039 58.100 -0.081 0.000 1.178 37 Y CB 1.031 39.439 38.460 -0.088 0.000 1.010 37 Y HN -0.393 7.751 8.280 -0.165 0.036 0.536 38 V N -8.915 111.005 119.914 0.010 0.000 3.078 38 V HA 0.751 4.937 4.120 -0.092 -0.121 0.311 38 V C -1.240 174.858 176.094 0.005 0.000 1.138 38 V CA -3.386 58.872 62.300 -0.070 0.000 1.007 38 V CB 3.781 35.458 31.823 -0.243 0.000 1.045 38 V HN -0.788 7.434 8.190 0.054 0.000 0.432 39 E N 1.772 121.994 120.200 0.035 0.000 2.314 39 E HA 0.353 4.722 4.350 0.031 0.000 0.262 39 E C -0.657 175.998 176.600 0.092 0.000 1.093 39 E CA -2.349 54.082 56.400 0.053 0.000 0.908 39 E CB 0.156 29.886 29.700 0.051 0.000 1.091 39 E HN 0.421 8.803 8.360 0.036 0.000 0.425 40 P HA -0.248 4.213 4.420 0.068 0.000 0.217 40 P C 1.337 178.688 177.300 0.084 0.000 1.151 40 P CA 2.854 65.995 63.100 0.068 0.000 0.849 40 P CB 0.081 31.806 31.700 0.041 0.000 0.787 41 E N -2.660 117.591 120.200 0.086 0.000 2.265 41 E HA -0.223 4.154 4.350 0.044 0.000 0.196 41 E C 1.950 178.606 176.600 0.093 0.000 0.996 41 E CA 2.843 59.287 56.400 0.073 0.000 0.832 41 E CB -0.965 28.776 29.700 0.067 0.000 0.756 41 E HN 0.508 8.896 8.360 0.080 0.020 0.491 42 Y N 0.314 120.627 120.300 0.022 0.000 2.352 42 Y HA -0.404 4.162 4.550 0.027 0.000 0.292 42 Y C 1.105 177.016 175.900 0.019 0.000 1.136 42 Y CA 3.068 61.184 58.100 0.027 0.000 1.227 42 Y CB 0.162 38.648 38.460 0.043 0.000 0.991 42 Y HN -0.348 8.048 8.280 0.266 0.044 0.545 43 V N -0.919 119.045 119.914 0.083 0.000 2.295 43 V HA -0.428 3.719 4.120 0.045 0.000 0.246 43 V C 2.290 178.342 176.094 -0.069 0.000 1.049 43 V CA 3.908 66.218 62.300 0.017 0.000 1.024 43 V CB -1.037 30.811 31.823 0.042 0.000 0.648 43 V HN -0.692 7.556 8.190 0.137 0.024 0.447 44 Q N -0.245 119.519 119.800 -0.060 0.000 2.167 44 Q HA -0.307 3.998 4.340 -0.058 0.000 0.202 44 Q C 1.511 177.435 176.000 -0.125 0.000 0.970 44 Q CA 2.574 58.334 55.803 -0.071 0.000 0.855 44 Q CB -0.982 27.730 28.738 -0.043 0.000 0.911 44 Q HN -0.083 8.171 8.270 -0.028 0.000 0.438 45 A N -0.312 122.391 122.820 -0.195 0.000 1.972 45 A HA -0.203 4.150 4.320 -0.179 -0.140 0.219 45 A C 2.200 179.579 177.584 -0.340 0.000 1.169 45 A CA 2.797 54.670 52.037 -0.273 0.000 0.635 45 A CB -0.822 17.955 19.000 -0.372 0.000 0.810 45 A HN -0.523 7.423 8.150 -0.181 0.096 0.446 46 M N -1.501 117.863 119.600 -0.394 0.000 2.175 46 M HA -0.306 4.155 4.480 -0.297 -0.160 0.264 46 M C 2.628 178.851 176.300 -0.129 0.000 1.063 46 M CA 3.827 58.966 55.300 -0.268 0.000 1.119 46 M CB 0.038 32.530 32.600 -0.179 0.000 1.377 46 M HN -0.427 7.497 8.290 -0.402 0.124 0.415 47 L N 0.138 121.298 121.223 -0.105 0.000 2.109 47 L HA -0.298 4.178 4.340 -0.048 -0.165 0.207 47 L C 2.314 179.141 176.870 -0.072 0.000 1.086 47 L CA 2.748 57.547 54.840 -0.067 0.000 0.760 47 L CB -0.498 41.527 42.059 -0.057 0.000 0.910 47 L HN -0.520 7.548 8.230 -0.121 0.089 0.437 48 D N -0.868 119.478 120.400 -0.089 0.000 2.104 48 D HA -0.331 4.271 4.640 -0.062 0.000 0.194 48 D C 2.590 178.845 176.300 -0.075 0.000 0.994 48 D CA 3.416 57.369 54.000 -0.078 0.000 0.830 48 D CB -0.573 40.177 40.800 -0.084 0.000 0.959 48 D HN 0.442 8.634 8.370 -0.108 0.113 0.452 49 R N -0.840 119.601 120.500 -0.099 0.000 2.096 49 R HA -0.280 4.013 4.340 -0.078 0.000 0.235 49 R C 1.719 177.990 176.300 -0.049 0.000 1.127 49 R CA 2.331 58.379 56.100 -0.086 0.000 0.968 49 R CB -0.324 29.899 30.300 -0.127 0.000 0.861 49 R HN -0.180 8.012 8.270 -0.131 0.000 0.440 50 E N -0.874 119.305 120.200 -0.036 0.000 2.110 50 E HA -0.293 4.074 4.350 0.027 0.000 0.193 50 E C 1.915 178.502 176.600 -0.022 0.000 0.988 50 E CA 2.609 59.006 56.400 -0.004 0.000 0.804 50 E CB -0.606 29.095 29.700 0.002 0.000 0.745 50 E HN -0.417 7.835 8.360 -0.050 0.078 0.458 51 K N -1.847 118.530 120.400 -0.038 0.000 2.097 51 K HA -0.314 3.980 4.320 -0.044 0.000 0.206 51 K C 2.334 178.916 176.600 -0.029 0.000 1.049 51 K CA 2.302 58.565 56.287 -0.039 0.000 0.933 51 K CB -0.176 32.299 32.500 -0.043 0.000 0.717 51 K HN -0.704 7.504 8.250 -0.045 0.015 0.442 52 L N -2.430 118.777 121.223 -0.027 0.000 2.046 52 L HA -0.233 4.095 4.340 -0.021 0.000 0.208 52 L C 0.938 177.802 176.870 -0.011 0.000 1.077 52 L CA 1.900 56.727 54.840 -0.021 0.000 0.747 52 L CB 0.402 42.446 42.059 -0.024 0.000 0.896 52 L HN -0.708 7.411 8.230 -0.033 0.091 0.432 53 T N -5.280 109.272 114.554 -0.003 0.000 3.289 53 T HA 0.215 4.572 4.350 0.010 0.000 0.370 53 T C -2.581 172.139 174.700 0.034 0.000 1.546 53 T CA -1.194 60.914 62.100 0.012 0.000 1.144 53 T CB 1.871 70.746 68.868 0.012 0.000 1.379 53 T HN -0.729 7.508 8.240 -0.006 0.000 0.478 54 P HA 0.064 4.554 4.420 0.117 0.000 0.268 54 P C -0.291 177.093 177.300 0.140 0.000 1.208 54 P CA -0.329 62.843 63.100 0.119 0.000 0.777 54 P CB 0.612 32.400 31.700 0.147 0.000 0.875 55 T N 1.097 115.768 114.554 0.195 0.000 3.163 55 T HA 0.002 4.390 4.350 0.062 0.000 0.252 55 T C -0.536 174.224 174.700 0.100 0.000 1.056 55 T CA -1.049 61.117 62.100 0.110 0.000 0.947 55 T CB -0.006 68.904 68.868 0.071 0.000 1.016 55 T HN 0.362 8.779 8.240 0.296 0.000 0.554 56 Y N 2.616 122.954 120.300 0.063 0.000 2.610 56 Y HA -0.222 4.398 4.550 -0.072 -0.114 0.332 56 Y C -0.903 174.995 175.900 -0.003 0.000 1.201 56 Y CA 0.827 58.937 58.100 0.017 0.000 1.465 56 Y CB 0.232 38.748 38.460 0.093 0.000 1.283 56 Y HN -0.170 8.241 8.280 0.366 0.088 0.563 57 L N 6.328 127.197 121.223 -0.590 0.000 2.959 57 L HA 0.234 4.441 4.340 -0.222 0.000 0.259 57 L C -0.375 176.180 176.870 -0.524 0.000 1.185 57 L CA -0.379 54.220 54.840 -0.401 0.000 0.998 57 L CB 0.624 42.532 42.059 -0.251 0.000 1.337 57 L HN 0.801 8.526 8.230 -0.841 0.000 0.555 58 G N -1.251 106.902 108.800 -1.079 0.000 2.756 58 G HA2 -0.307 3.429 3.960 -0.373 0.000 0.678 58 G HA3 -0.307 3.499 3.960 -0.257 0.000 0.678 58 G C -0.648 173.988 174.900 -0.441 0.000 1.349 58 G CA -0.534 44.220 45.100 -0.576 0.000 0.847 58 G HN -0.804 6.084 8.290 -2.241 0.057 0.548 59 E N -0.779 119.350 120.200 -0.118 0.000 2.440 59 E HA -0.421 3.947 4.350 0.031 0.000 0.246 59 E C -0.570 176.030 176.600 0.000 0.000 1.165 59 E CA 0.684 57.066 56.400 -0.030 0.000 0.726 59 E CB -1.566 28.103 29.700 -0.051 0.000 1.271 59 E HN 0.532 8.879 8.360 -0.022 0.000 0.397 60 S N -7.165 108.607 115.700 0.120 0.000 3.476 60 S HA -0.486 4.509 4.470 0.402 -0.285 0.309 60 S C -1.083 173.578 174.600 0.100 0.000 1.222 60 S CA 1.750 60.075 58.200 0.208 0.000 0.922 60 S CB -0.331 62.947 63.200 0.131 0.000 1.023 60 S HN -0.058 8.389 8.310 0.257 0.017 0.591 61 I N -0.865 119.647 120.570 -0.097 0.000 2.474 61 I HA 0.631 4.923 4.170 -0.101 -0.183 0.294 61 I C -1.800 174.167 176.117 -0.249 0.000 1.005 61 I CA -1.182 60.022 61.300 -0.160 0.000 1.113 61 I CB 3.648 41.547 38.000 -0.167 0.000 1.289 61 I HN -0.792 7.194 8.210 -0.305 0.041 0.436 62 A N 5.665 128.343 122.820 -0.237 0.000 2.414 62 A HA 0.757 5.107 4.320 -0.217 -0.161 0.306 62 A C -2.223 175.179 177.584 -0.303 0.000 1.054 62 A CA -1.831 50.010 52.037 -0.327 0.000 0.724 62 A CB 3.976 22.476 19.000 -0.832 0.000 1.267 62 A HN 1.018 9.023 8.150 -0.241 0.000 0.418 63 V N -1.521 118.271 119.914 -0.203 0.000 2.384 63 V HA 0.911 5.173 4.120 -0.138 -0.225 0.257 63 V C -3.020 173.035 176.094 -0.066 0.000 0.969 63 V CA -4.371 57.855 62.300 -0.125 0.000 0.910 63 V CB 0.134 31.908 31.823 -0.082 0.000 1.150 63 V HN -0.089 8.004 8.190 -0.162 0.000 0.481 64 P HA 0.114 4.549 4.420 0.025 0.000 0.268 64 P C -1.528 175.792 177.300 0.034 0.000 1.205 64 P CA 0.096 63.203 63.100 0.013 0.000 0.771 64 P CB 1.035 32.773 31.700 0.064 0.000 0.858 65 Q N 0.043 119.840 119.800 -0.005 0.000 2.648 65 Q HA 0.418 5.004 4.340 0.191 -0.132 0.300 65 Q C -0.711 175.175 176.000 -0.188 0.000 0.954 65 Q CA -1.854 53.952 55.803 0.005 0.000 0.757 65 Q CB 3.149 31.840 28.738 -0.080 0.000 1.482 65 Q HN 0.002 8.249 8.270 -0.038 0.000 0.437 66 G N -0.985 107.663 108.800 -0.253 0.000 2.580 66 G HA2 0.047 3.816 3.960 -0.574 0.000 0.278 66 G HA3 0.047 3.453 3.960 -0.924 0.000 0.278 66 G C -0.970 173.753 174.900 -0.295 0.000 1.212 66 G CA -0.987 43.788 45.100 -0.542 0.000 0.939 66 G HN 0.638 9.075 8.290 0.245 0.000 0.513 67 T N -3.633 110.794 114.554 -0.213 0.000 2.788 67 T HA -0.065 4.204 4.350 -0.134 0.000 0.287 67 T C 1.567 176.248 174.700 -0.031 0.000 1.007 67 T CA -1.132 60.898 62.100 -0.117 0.000 1.005 67 T CB 1.484 70.301 68.868 -0.086 0.000 1.012 67 T HN -0.598 7.491 8.240 -0.252 0.000 0.530 68 V N 2.612 122.524 119.914 -0.004 0.000 2.568 68 V HA -0.308 4.099 4.120 0.092 -0.232 0.253 68 V C 1.680 177.806 176.094 0.053 0.000 1.072 68 V CA 2.902 65.231 62.300 0.049 0.000 1.084 68 V CB 0.132 31.976 31.823 0.035 0.000 0.676 68 V HN 0.238 8.414 8.190 -0.024 0.000 0.469 69 E N -0.368 119.849 120.200 0.028 0.000 2.204 69 E HA -0.223 4.146 4.350 0.032 0.000 0.194 69 E C 0.545 177.175 176.600 0.050 0.000 0.989 69 E CA 2.433 58.851 56.400 0.029 0.000 0.824 69 E CB -0.201 29.504 29.700 0.007 0.000 0.756 69 E HN 0.425 8.755 8.360 0.006 0.033 0.477 70 A N -2.304 120.556 122.820 0.068 0.000 2.337 70 A HA 0.161 4.542 4.320 0.102 0.000 0.227 70 A C 0.771 178.477 177.584 0.203 0.000 1.259 70 A CA -0.018 52.095 52.037 0.127 0.000 0.870 70 A CB -0.454 18.612 19.000 0.109 0.000 0.927 70 A HN -0.278 7.762 8.150 0.048 0.139 0.497 71 K N -0.965 119.535 120.400 0.165 0.000 2.113 71 K HA -0.297 4.150 4.320 0.211 0.000 0.208 71 K C 1.083 177.750 176.600 0.111 0.000 1.047 71 K CA 3.029 59.411 56.287 0.158 0.000 0.928 71 K CB -0.536 32.034 32.500 0.116 0.000 0.716 71 K HN -0.624 7.634 8.250 0.129 0.070 0.446 72 D N -2.789 117.664 120.400 0.089 0.000 2.363 72 D HA -0.045 4.625 4.640 0.051 0.000 0.226 72 D C 0.605 176.945 176.300 0.067 0.000 1.020 72 D CA 1.131 55.169 54.000 0.064 0.000 0.892 72 D CB -0.604 40.226 40.800 0.050 0.000 0.900 72 D HN 0.245 8.668 8.370 0.088 0.000 0.531 73 R N -3.412 117.149 120.500 0.102 0.000 2.334 73 R HA 0.210 4.751 4.340 0.072 -0.158 0.216 73 R C -0.915 175.419 176.300 0.057 0.000 0.905 73 R CA -2.530 53.633 56.100 0.105 0.000 1.064 73 R CB 0.097 30.503 30.300 0.177 0.000 1.046 73 R HN -0.250 7.919 8.270 0.138 0.184 0.508 74 V N 0.867 120.793 119.914 0.020 0.000 2.406 74 V HA -0.091 3.924 4.120 -0.174 0.000 0.272 74 V C -0.579 175.496 176.094 -0.031 0.000 1.043 74 V CA 0.763 63.019 62.300 -0.074 0.000 0.915 74 V CB 0.341 32.120 31.823 -0.074 0.000 0.988 74 V HN -0.787 7.360 8.190 0.057 0.077 0.466 75 L N 7.185 128.388 121.223 -0.032 0.000 2.253 75 L HA 0.052 4.385 4.340 -0.011 0.000 0.205 75 L C 0.076 176.945 176.870 -0.000 0.000 1.078 75 L CA 1.150 55.981 54.840 -0.016 0.000 0.805 75 L CB 0.524 42.565 42.059 -0.031 0.000 0.963 75 L HN 0.854 8.940 8.230 -0.049 0.114 0.459 76 K N -4.009 116.410 120.400 0.032 0.000 2.578 76 K HA 0.188 4.533 4.320 0.041 0.000 0.269 76 K C -1.822 174.860 176.600 0.137 0.000 0.941 76 K CA -1.392 54.941 56.287 0.077 0.000 0.847 76 K CB 2.096 34.646 32.500 0.084 0.000 1.397 76 K HN -0.407 7.866 8.250 0.038 0.000 0.422 77 T N 3.373 117.976 114.554 0.082 0.000 2.902 77 T HA -0.124 4.414 4.350 -0.043 -0.213 0.301 77 T C -0.042 174.692 174.700 0.057 0.000 1.012 77 T CA 1.323 63.442 62.100 0.031 0.000 1.151 77 T CB 0.228 69.114 68.868 0.030 0.000 0.946 77 T HN 0.064 8.342 8.240 0.062 0.000 0.542 78 G N 4.422 113.124 108.800 -0.163 0.000 2.646 78 G HA2 0.644 4.408 3.960 -0.326 0.000 0.291 78 G HA3 0.644 3.764 3.960 -1.399 0.000 0.291 78 G C -3.445 171.148 174.900 -0.512 0.000 1.445 78 G CA 0.059 44.819 45.100 -0.568 0.000 0.814 78 G HN 0.594 8.672 8.290 -0.173 0.109 0.495 79 V N -3.913 115.696 119.914 -0.508 0.000 2.925 79 V HA 1.162 5.329 4.120 -0.271 -0.209 0.311 79 V C -1.456 174.522 176.094 -0.193 0.000 1.104 79 V CA -3.285 58.820 62.300 -0.324 0.000 0.954 79 V CB 4.087 35.676 31.823 -0.391 0.000 1.022 79 V HN 0.237 8.100 8.190 -0.546 0.000 0.427 80 V N -2.699 117.190 119.914 -0.041 0.000 2.443 80 V HA 0.465 4.854 4.120 0.223 -0.136 0.293 80 V C -2.013 174.218 176.094 0.228 0.000 1.021 80 V CA -2.263 60.138 62.300 0.168 0.000 0.848 80 V CB 1.747 33.676 31.823 0.177 0.000 0.998 80 V HN 0.683 8.742 8.190 -0.057 0.096 0.424 81 F N 8.893 128.934 119.950 0.151 0.000 2.413 81 F HA 0.261 4.830 4.527 0.072 0.000 0.359 81 F C -2.013 173.939 175.800 0.253 0.000 1.122 81 F CA -1.051 57.019 58.000 0.117 0.000 1.160 81 F CB 1.751 40.766 39.000 0.025 0.000 1.146 81 F HN 0.537 9.068 8.300 0.386 0.000 0.514 82 C N 8.607 127.742 119.300 -0.275 0.000 2.319 82 C HA 0.535 5.264 4.460 0.177 -0.163 0.323 82 C C -1.982 172.790 174.990 -0.363 0.000 1.277 82 C CA -2.205 56.777 59.018 -0.060 0.000 1.517 82 C CB 2.449 30.334 27.740 0.243 0.000 2.206 82 C HN 0.751 8.701 8.230 -0.467 0.000 0.486 83 Q N 4.622 124.224 119.800 -0.330 0.000 2.290 83 Q HA 0.569 4.919 4.340 -0.239 -0.153 0.259 83 Q C -1.793 173.921 176.000 -0.476 0.000 0.941 83 Q CA -1.409 54.232 55.803 -0.270 0.000 0.912 83 Q CB 2.771 31.498 28.738 -0.019 0.000 1.244 83 Q HN 0.971 9.138 8.270 -0.171 0.000 0.441 84 Y N 7.263 127.500 120.300 -0.106 0.000 2.805 84 Y HA 0.630 5.338 4.550 -0.061 -0.195 0.339 84 Y C -1.719 174.127 175.900 -0.090 0.000 1.012 84 Y CA -2.901 55.154 58.100 -0.075 0.000 1.262 84 Y CB 0.071 38.502 38.460 -0.048 0.000 1.100 84 Y HN 1.132 9.333 8.280 0.062 0.116 0.559 85 P HA -0.143 4.185 4.420 -0.392 -0.143 0.216 85 P C 0.335 177.680 177.300 0.074 0.000 1.150 85 P CA 1.691 64.736 63.100 -0.092 0.000 0.837 85 P CB 0.500 32.215 31.700 0.025 0.000 0.786 86 E N -5.013 115.252 120.200 0.108 0.000 2.435 86 E HA -0.089 4.337 4.350 0.127 0.000 0.195 86 E C 0.468 177.127 176.600 0.098 0.000 1.029 86 E CA -0.025 56.442 56.400 0.112 0.000 0.865 86 E CB 0.431 30.186 29.700 0.091 0.000 0.833 86 E HN 0.170 8.573 8.360 0.104 0.019 0.510 87 G N -0.887 107.980 108.800 0.112 0.000 2.705 87 G HA2 -0.306 3.943 3.960 0.094 0.000 0.686 87 G HA3 -0.306 3.694 3.960 0.067 0.000 0.686 87 G C -1.453 173.470 174.900 0.040 0.000 1.285 87 G CA -0.429 44.721 45.100 0.082 0.000 0.800 87 G HN -0.280 7.905 8.290 0.141 0.189 0.611 88 V N 0.405 120.328 119.914 0.015 0.000 2.569 88 V HA 0.208 4.289 4.120 -0.065 0.000 0.301 88 V C -0.556 175.552 176.094 0.024 0.000 1.044 88 V CA -1.652 60.633 62.300 -0.026 0.000 0.874 88 V CB 3.221 34.986 31.823 -0.098 0.000 1.002 88 V HN 0.206 8.423 8.190 0.046 0.000 0.424 89 R N 7.869 128.316 120.500 -0.088 0.000 2.458 89 R HA -0.236 4.148 4.340 -0.146 -0.131 0.303 89 R C -1.796 174.383 176.300 -0.202 0.000 1.013 89 R CA 1.593 57.607 56.100 -0.143 0.000 1.026 89 R CB -0.502 29.702 30.300 -0.160 0.000 0.948 89 R HN 0.566 8.773 8.270 -0.106 0.000 0.417 90 F N 4.928 124.691 119.950 -0.312 0.000 2.729 90 F HA 0.128 4.565 4.527 -0.150 0.000 0.304 90 F C -0.750 174.927 175.800 -0.205 0.000 1.008 90 F CA 1.108 58.976 58.000 -0.220 0.000 1.188 90 F CB 3.528 42.463 39.000 -0.108 0.000 0.980 90 F HN 0.454 8.610 8.300 -0.240 0.000 0.627 91 G N -1.740 106.913 108.800 -0.246 0.000 2.535 91 G HA2 0.060 4.094 3.960 0.123 0.000 0.282 91 G HA3 0.060 3.918 3.960 -0.170 0.000 0.282 91 G C -0.210 174.647 174.900 -0.071 0.000 1.350 91 G CA -0.901 44.142 45.100 -0.094 0.000 1.039 91 G HN -0.564 7.381 8.290 -0.574 0.000 0.509 92 E N -1.051 119.144 120.200 -0.008 0.000 2.058 92 E HA -0.260 4.078 4.350 -0.021 0.000 0.194 92 E C 0.819 177.393 176.600 -0.042 0.000 0.997 92 E CA 2.241 58.632 56.400 -0.015 0.000 0.801 92 E CB 0.242 29.951 29.700 0.014 0.000 0.746 92 E HN 0.153 8.543 8.360 0.050 0.000 0.450 93 E N -1.553 118.619 120.200 -0.046 0.000 2.280 93 E HA 0.121 4.446 4.350 -0.042 0.000 0.261 93 E C 1.109 177.660 176.600 -0.083 0.000 1.088 93 E CA -1.104 55.266 56.400 -0.051 0.000 0.915 93 E CB 1.015 30.698 29.700 -0.027 0.000 1.141 93 E HN -0.280 8.419 8.360 -0.033 -0.358 0.433 94 E N -0.765 119.395 120.200 -0.066 0.000 2.268 94 E HA -0.215 4.081 4.350 -0.090 0.000 0.195 94 E C 0.395 176.950 176.600 -0.075 0.000 0.995 94 E CA 2.113 58.469 56.400 -0.073 0.000 0.836 94 E CB -0.472 29.198 29.700 -0.051 0.000 0.763 94 E HN 0.552 8.883 8.360 -0.049 0.000 0.491 95 D N -3.299 117.066 120.400 -0.059 0.000 2.277 95 D HA -0.042 4.580 4.640 -0.030 0.000 0.208 95 D C -0.113 176.140 176.300 -0.078 0.000 0.962 95 D CA 0.730 54.705 54.000 -0.042 0.000 0.865 95 D CB 0.430 41.224 40.800 -0.009 0.000 0.939 95 D HN -0.055 8.245 8.370 -0.049 0.040 0.510 96 D N 1.703 122.000 120.400 -0.172 0.000 2.551 96 D HA 0.073 4.535 4.640 -0.297 0.000 0.223 96 D C -1.570 174.338 176.300 -0.654 0.000 1.144 96 D CA -0.068 53.658 54.000 -0.456 0.000 1.025 96 D CB -1.399 39.097 40.800 -0.506 0.000 1.085 96 D HN -0.474 7.644 8.370 -0.146 0.164 0.506 97 I N 1.419 121.784 120.570 -0.342 0.000 2.359 97 I HA 0.199 4.396 4.170 -0.175 -0.132 0.294 97 I C -1.381 174.746 176.117 0.016 0.000 0.987 97 I CA -2.649 58.556 61.300 -0.157 0.000 1.225 97 I CB 1.123 39.104 38.000 -0.032 0.000 1.366 97 I HN -0.213 7.865 8.210 -0.163 0.034 0.466 98 A N 7.251 130.127 122.820 0.094 0.000 2.304 98 A HA 0.362 4.894 4.320 0.323 -0.018 0.323 98 A C -0.976 176.663 177.584 0.091 0.000 1.195 98 A CA -1.084 51.069 52.037 0.193 0.000 0.826 98 A CB 1.651 20.715 19.000 0.107 0.000 1.184 98 A HN 0.910 8.993 8.150 0.069 0.108 0.496 99 R N 1.634 122.179 120.500 0.075 0.000 2.282 99 R HA 0.278 4.849 4.340 0.100 -0.171 0.195 99 R C -0.241 176.069 176.300 0.016 0.000 0.909 99 R CA 0.273 56.402 56.100 0.049 0.000 1.039 99 R CB 2.047 32.334 30.300 -0.022 0.000 1.015 99 R HN 0.472 8.690 8.270 0.086 0.104 0.513 100 L N -0.075 121.123 121.223 -0.042 0.000 2.316 100 L HA 0.542 4.839 4.340 -0.298 -0.136 0.280 100 L C -2.076 174.660 176.870 -0.224 0.000 1.006 100 L CA -0.929 53.797 54.840 -0.190 0.000 0.836 100 L CB 2.068 44.043 42.059 -0.140 0.000 1.221 100 L HN -0.034 8.149 8.230 -0.013 0.039 0.418 101 V N 5.236 125.013 119.914 -0.228 0.000 2.304 101 V HA 0.405 4.470 4.120 -0.371 -0.168 0.278 101 V C -1.267 174.699 176.094 -0.212 0.000 1.018 101 V CA -1.129 61.026 62.300 -0.242 0.000 0.814 101 V CB 0.507 32.262 31.823 -0.114 0.000 1.021 101 V HN 0.949 9.012 8.190 -0.212 0.000 0.440 102 I N 7.539 127.980 120.570 -0.214 0.000 2.337 102 I HA 0.477 4.775 4.170 -0.122 -0.202 0.285 102 I C -0.333 175.738 176.117 -0.077 0.000 1.041 102 I CA -1.452 59.766 61.300 -0.137 0.000 1.199 102 I CB 1.103 39.037 38.000 -0.111 0.000 1.370 102 I HN 1.035 9.103 8.210 -0.237 0.000 0.470 103 G N 7.409 116.196 108.800 -0.023 0.000 2.364 103 G HA2 0.359 4.492 3.960 0.024 0.000 0.267 103 G HA3 0.359 4.341 3.960 0.037 0.000 0.267 103 G C -1.825 173.070 174.900 -0.007 0.000 1.233 103 G CA -0.480 44.629 45.100 0.014 0.000 0.885 103 G HN 0.358 8.650 8.290 0.004 0.000 0.490 104 I N -1.077 119.523 120.570 0.051 0.000 2.689 104 I HA 0.976 5.239 4.170 -0.090 -0.146 0.299 104 I C -2.789 173.415 176.117 0.146 0.000 1.059 104 I CA -2.706 58.611 61.300 0.028 0.000 1.055 104 I CB 4.141 42.161 38.000 0.034 0.000 1.243 104 I HN 0.487 8.757 8.210 0.099 0.000 0.425 105 A N 2.329 125.125 122.820 -0.040 0.000 2.357 105 A HA 0.640 4.957 4.320 -0.005 0.000 0.295 105 A C -2.169 175.294 177.584 -0.202 0.000 1.121 105 A CA -1.289 50.662 52.037 -0.143 0.000 0.742 105 A CB 2.990 21.801 19.000 -0.314 0.000 1.181 105 A HN 0.466 8.535 8.150 -0.135 0.000 0.454 106 A N 4.236 126.844 122.820 -0.353 0.000 2.343 106 A HA 0.278 4.465 4.320 -0.221 0.000 0.308 106 A C -1.288 176.147 177.584 -0.249 0.000 1.092 106 A CA -1.427 50.377 52.037 -0.388 0.000 0.751 106 A CB 2.366 20.969 19.000 -0.662 0.000 1.203 106 A HN 0.241 8.190 8.150 -0.336 0.000 0.452 107 R N 4.447 124.875 120.500 -0.120 0.000 2.698 107 R HA -0.293 4.026 4.340 -0.035 0.000 0.266 107 R C 0.624 176.897 176.300 -0.044 0.000 1.026 107 R CA 1.289 57.357 56.100 -0.053 0.000 1.102 107 R CB 0.774 31.060 30.300 -0.024 0.000 0.978 107 R HN -0.144 8.068 8.270 -0.096 0.000 0.436 108 N N 1.638 120.338 118.700 0.001 0.000 2.714 108 N HA -0.334 4.427 4.740 0.035 0.000 0.250 108 N C -1.491 174.043 175.510 0.040 0.000 1.117 108 N CA 0.935 53.997 53.050 0.021 0.000 0.719 108 N CB -0.551 37.942 38.487 0.010 0.000 1.081 108 N HN 0.792 9.179 8.380 0.012 0.000 0.557 109 N N -8.059 110.685 118.700 0.073 0.000 2.708 109 N HA -0.395 4.568 4.740 0.373 0.000 0.249 109 N C 0.225 175.808 175.510 0.122 0.000 1.097 109 N CA 1.634 54.800 53.050 0.194 0.000 0.710 109 N CB -1.406 37.194 38.487 0.189 0.000 1.032 109 N HN -0.099 8.295 8.380 0.068 0.027 0.551 110 E N -1.825 118.332 120.200 -0.073 0.000 2.301 110 E HA -0.002 4.357 4.350 0.015 0.000 0.195 110 E C 0.327 176.868 176.600 -0.098 0.000 1.171 110 E CA -1.179 55.187 56.400 -0.057 0.000 1.142 110 E CB -2.004 27.660 29.700 -0.060 0.000 1.218 110 E HN -0.393 7.858 8.360 -0.145 0.022 0.448 111 H N 1.244 120.334 119.070 0.033 0.000 2.387 111 H HA -0.348 4.219 4.556 0.018 0.000 0.299 111 H C 1.340 176.676 175.328 0.014 0.000 1.099 111 H CA 4.049 60.111 56.048 0.024 0.000 1.315 111 H CB 0.274 30.057 29.762 0.034 0.000 1.380 111 H HN -0.605 7.624 8.280 0.091 0.106 0.513 112 I N -2.066 118.584 120.570 0.132 0.000 2.454 112 I HA -0.344 3.868 4.170 0.070 0.000 0.254 112 I C 2.099 178.245 176.117 0.048 0.000 1.156 112 I CA 2.090 63.435 61.300 0.074 0.000 1.433 112 I CB -1.614 36.422 38.000 0.060 0.000 1.082 112 I HN 0.198 8.499 8.210 0.151 0.000 0.432 113 Q N -0.473 119.350 119.800 0.039 0.000 2.079 113 Q HA -0.227 4.138 4.340 0.041 0.000 0.200 113 Q C 3.004 179.037 176.000 0.056 0.000 0.974 113 Q CA 2.902 58.728 55.803 0.040 0.000 0.840 113 Q CB -0.521 28.235 28.738 0.030 0.000 0.898 113 Q HN -0.371 7.796 8.270 0.035 0.124 0.430 114 V N 0.772 120.706 119.914 0.033 0.000 2.358 114 V HA -0.379 3.801 4.120 0.100 0.000 0.246 114 V C 2.027 178.113 176.094 -0.012 0.000 1.047 114 V CA 3.960 66.269 62.300 0.015 0.000 1.035 114 V CB -0.569 31.213 31.823 -0.068 0.000 0.658 114 V HN -0.749 7.368 8.190 0.010 0.079 0.452 115 I N 0.224 120.795 120.570 0.002 0.000 2.208 115 I HA -0.578 3.572 4.170 -0.032 0.000 0.245 115 I C 1.720 177.843 176.117 0.009 0.000 1.097 115 I CA 4.678 65.975 61.300 -0.005 0.000 1.363 115 I CB -0.419 37.587 38.000 0.010 0.000 1.051 115 I HN 0.448 8.672 8.210 0.023 0.000 0.413 116 T N 1.918 116.489 114.554 0.028 0.000 2.746 116 T HA -0.291 4.072 4.350 0.022 0.000 0.267 116 T C 2.114 176.846 174.700 0.052 0.000 1.039 116 T CA 4.939 67.059 62.100 0.033 0.000 1.142 116 T CB -0.350 68.539 68.868 0.035 0.000 0.866 116 T HN 0.285 8.435 8.240 0.032 0.109 0.444 117 S N 1.668 117.421 115.700 0.088 0.000 2.356 117 S HA -0.229 4.307 4.470 0.110 0.000 0.223 117 S C 1.991 176.675 174.600 0.140 0.000 1.032 117 S CA 3.184 61.471 58.200 0.146 0.000 1.005 117 S CB -0.475 62.902 63.200 0.296 0.000 0.867 117 S HN -0.510 7.853 8.310 0.089 0.000 0.449 118 L N 0.162 121.438 121.223 0.088 0.000 2.017 118 L HA -0.308 4.090 4.340 0.096 0.000 0.208 118 L C 2.301 179.196 176.870 0.042 0.000 1.073 118 L CA 3.100 57.969 54.840 0.049 0.000 0.745 118 L CB -0.066 41.972 42.059 -0.035 0.000 0.894 118 L HN 0.014 8.276 8.230 0.053 0.000 0.432 119 T N -3.946 110.620 114.554 0.021 0.000 2.915 119 T HA -0.381 3.970 4.350 0.003 0.000 0.269 119 T C 1.168 175.879 174.700 0.019 0.000 1.071 119 T CA 3.288 65.393 62.100 0.008 0.000 1.132 119 T CB -0.393 68.471 68.868 -0.008 0.000 0.878 119 T HN 0.292 8.541 8.240 0.014 0.000 0.479 120 N N 0.646 119.364 118.700 0.031 0.000 2.166 120 N HA -0.164 4.589 4.740 0.021 0.000 0.186 120 N C 2.100 177.628 175.510 0.031 0.000 1.019 120 N CA 2.417 55.484 53.050 0.030 0.000 0.856 120 N CB -0.499 38.010 38.487 0.036 0.000 0.993 120 N HN -0.357 8.018 8.380 0.040 0.030 0.426 121 A N -1.717 121.130 122.820 0.044 0.000 2.119 121 A HA -0.016 4.323 4.320 0.032 0.000 0.216 121 A C 0.535 178.139 177.584 0.034 0.000 1.152 121 A CA 1.632 53.694 52.037 0.041 0.000 0.708 121 A CB -0.088 18.949 19.000 0.061 0.000 0.805 121 A HN -0.648 7.444 8.150 0.057 0.093 0.460 122 L N -4.052 117.190 121.223 0.033 0.000 2.928 122 L HA 0.141 4.501 4.340 0.033 0.000 0.246 122 L C -0.171 176.710 176.870 0.017 0.000 1.239 122 L CA -0.922 53.935 54.840 0.029 0.000 1.035 122 L CB -0.869 41.208 42.059 0.030 0.000 1.360 122 L HN -0.769 7.301 8.230 0.033 0.179 0.529 123 D N -1.150 119.260 120.400 0.015 0.000 2.348 123 D HA -0.123 4.521 4.640 0.006 0.000 0.216 123 D C -0.352 175.955 176.300 0.012 0.000 0.970 123 D CA 0.614 54.620 54.000 0.010 0.000 0.889 123 D CB 0.127 40.933 40.800 0.010 0.000 0.912 123 D HN -0.661 7.640 8.370 0.018 0.079 0.524 124 D N -0.025 120.385 120.400 0.016 0.000 2.278 124 D HA 0.263 4.912 4.640 0.015 0.000 0.245 124 D C 0.339 176.652 176.300 0.023 0.000 1.052 124 D CA -0.748 53.263 54.000 0.017 0.000 0.834 124 D CB 2.383 43.193 40.800 0.016 0.000 1.194 124 D HN -0.375 7.952 8.370 0.018 0.053 0.481 125 E N 4.631 124.845 120.200 0.023 0.000 2.118 125 E HA -0.506 3.863 4.350 0.032 0.000 0.195 125 E C 1.046 177.669 176.600 0.039 0.000 0.992 125 E CA 3.277 59.695 56.400 0.031 0.000 0.804 125 E CB -0.691 29.027 29.700 0.029 0.000 0.741 125 E HN 0.540 8.912 8.360 0.020 0.000 0.458 126 S N -0.731 114.989 115.700 0.033 0.000 2.402 126 S HA -0.218 4.277 4.470 0.041 0.000 0.229 126 S C 1.925 176.550 174.600 0.041 0.000 1.021 126 S CA 2.900 61.121 58.200 0.036 0.000 0.974 126 S CB -0.962 62.254 63.200 0.026 0.000 0.800 126 S HN 0.268 8.573 8.310 0.027 0.021 0.484 127 V N 3.190 123.126 119.914 0.036 0.000 2.358 127 V HA -0.448 3.691 4.120 0.032 0.000 0.246 127 V C 1.620 177.747 176.094 0.056 0.000 1.047 127 V CA 3.779 66.102 62.300 0.037 0.000 1.035 127 V CB -0.146 31.695 31.823 0.029 0.000 0.658 127 V HN -0.666 7.434 8.190 0.031 0.109 0.452 128 I N -0.396 120.210 120.570 0.061 0.000 2.179 128 I HA -0.612 3.613 4.170 0.091 0.000 0.242 128 I C 1.878 178.053 176.117 0.096 0.000 1.088 128 I CA 4.339 65.686 61.300 0.078 0.000 1.357 128 I CB -0.443 37.594 38.000 0.061 0.000 1.051 128 I HN -0.904 7.336 8.210 0.050 0.000 0.409 129 E N -0.514 119.746 120.200 0.100 0.000 2.058 129 E HA -0.377 4.085 4.350 0.186 0.000 0.194 129 E C 2.799 179.498 176.600 0.165 0.000 0.997 129 E CA 2.758 59.245 56.400 0.145 0.000 0.801 129 E CB -0.813 28.953 29.700 0.110 0.000 0.746 129 E HN -0.481 7.928 8.360 0.081 0.000 0.450 130 R N -2.014 118.552 120.500 0.109 0.000 2.081 130 R HA -0.244 4.161 4.340 0.108 0.000 0.235 130 R C 2.596 178.955 176.300 0.098 0.000 1.131 130 R CA 1.685 57.842 56.100 0.095 0.000 0.960 130 R CB -0.497 29.836 30.300 0.055 0.000 0.856 130 R HN -0.477 7.845 8.270 0.086 0.000 0.436 131 L N -3.163 118.117 121.223 0.095 0.000 2.083 131 L HA -0.313 4.071 4.340 0.074 0.000 0.209 131 L C 1.500 178.459 176.870 0.148 0.000 1.083 131 L CA 2.407 57.321 54.840 0.124 0.000 0.752 131 L CB -0.205 41.964 42.059 0.182 0.000 0.899 131 L HN -0.034 8.250 8.230 0.090 0.000 0.433 132 A N -5.704 117.160 122.820 0.072 0.000 2.019 132 A HA -0.259 4.013 4.320 -0.081 0.000 0.219 132 A C -0.027 177.323 177.584 -0.390 0.000 1.164 132 A CA 2.179 54.135 52.037 -0.135 0.000 0.644 132 A CB 0.605 19.500 19.000 -0.175 0.000 0.805 132 A HN -0.124 8.070 8.150 0.098 0.014 0.449 133 H N -6.565 112.552 119.070 0.077 0.000 3.233 133 H HA 0.217 4.806 4.556 0.054 0.000 0.263 133 H C 0.362 175.717 175.328 0.045 0.000 1.168 133 H CA -1.086 54.995 56.048 0.055 0.000 1.159 133 H CB 1.599 31.388 29.762 0.044 0.000 1.593 133 H HN -0.643 7.699 8.280 0.142 0.024 0.580 134 T N 2.319 116.950 114.554 0.128 0.000 2.926 134 T HA -0.068 4.331 4.350 0.081 0.000 0.307 134 T C -0.175 174.560 174.700 0.059 0.000 1.059 134 T CA 0.850 62.998 62.100 0.080 0.000 1.122 134 T CB 0.609 69.507 68.868 0.049 0.000 0.972 134 T HN -0.683 7.626 8.240 0.115 0.000 0.545 135 T N 1.692 116.271 114.554 0.042 0.000 3.092 135 T HA 0.132 4.501 4.350 0.032 0.000 0.258 135 T C -0.487 174.221 174.700 0.013 0.000 1.031 135 T CA -0.985 61.133 62.100 0.029 0.000 0.925 135 T CB 0.015 68.900 68.868 0.029 0.000 1.036 135 T HN 0.217 8.481 8.240 0.040 0.000 0.544 136 S N 2.487 118.190 115.700 0.005 0.000 2.438 136 S HA 0.198 4.661 4.470 -0.011 0.000 0.316 136 S C 0.052 174.631 174.600 -0.035 0.000 1.084 136 S CA -1.552 56.641 58.200 -0.012 0.000 1.107 136 S CB 0.759 63.951 63.200 -0.012 0.000 0.981 136 S HN -0.579 7.660 8.310 0.012 0.078 0.466 137 V N 9.064 128.952 119.914 -0.043 0.000 2.343 137 V HA -0.382 3.683 4.120 -0.092 0.000 0.247 137 V C 1.083 177.127 176.094 -0.084 0.000 1.051 137 V CA 3.068 65.324 62.300 -0.074 0.000 1.036 137 V CB 0.130 31.912 31.823 -0.069 0.000 0.654 137 V HN 0.789 8.960 8.190 -0.032 0.000 0.451 138 D N -0.948 119.417 120.400 -0.059 0.000 2.123 138 D HA -0.339 4.266 4.640 -0.058 0.000 0.196 138 D C 2.298 178.561 176.300 -0.061 0.000 0.992 138 D CA 3.541 57.508 54.000 -0.055 0.000 0.833 138 D CB -0.427 40.351 40.800 -0.037 0.000 0.954 138 D HN 0.105 8.447 8.370 -0.046 0.000 0.455 139 E N 0.683 120.849 120.200 -0.057 0.000 2.077 139 E HA -0.322 4.001 4.350 -0.045 0.000 0.193 139 E C 2.129 178.674 176.600 -0.091 0.000 0.989 139 E CA 2.847 59.214 56.400 -0.056 0.000 0.800 139 E CB -0.185 29.493 29.700 -0.036 0.000 0.746 139 E HN -0.792 7.530 8.360 -0.049 0.008 0.452 140 V N 0.300 120.131 119.914 -0.138 0.000 2.255 140 V HA -0.548 3.416 4.120 -0.261 0.000 0.247 140 V C 1.773 177.739 176.094 -0.213 0.000 1.051 140 V CA 4.910 67.060 62.300 -0.250 0.000 1.018 140 V CB -0.195 31.400 31.823 -0.380 0.000 0.641 140 V HN -0.630 7.410 8.190 -0.120 0.078 0.445 141 L N -1.782 119.347 121.223 -0.157 0.000 2.012 141 L HA -0.569 3.704 4.340 -0.111 0.000 0.210 141 L C 2.276 179.100 176.870 -0.078 0.000 1.073 141 L CA 3.182 57.958 54.840 -0.108 0.000 0.748 141 L CB -0.595 41.416 42.059 -0.081 0.000 0.891 141 L HN -0.110 8.032 8.230 -0.146 0.000 0.431 142 E N -1.225 118.934 120.200 -0.068 0.000 2.058 142 E HA -0.353 3.971 4.350 -0.043 0.000 0.194 142 E C 3.297 179.869 176.600 -0.046 0.000 0.997 142 E CA 3.043 59.413 56.400 -0.049 0.000 0.801 142 E CB -0.144 29.531 29.700 -0.041 0.000 0.746 142 E HN -0.256 8.061 8.360 -0.073 0.000 0.450 143 L N -2.532 118.657 121.223 -0.057 0.000 2.275 143 L HA -0.234 4.090 4.340 -0.027 0.000 0.215 143 L C 1.280 178.129 176.870 -0.034 0.000 1.119 143 L CA 2.202 57.016 54.840 -0.043 0.000 0.790 143 L CB 0.246 42.275 42.059 -0.050 0.000 0.919 143 L HN -0.145 8.042 8.230 -0.072 0.000 0.443 144 L N -5.762 115.433 121.223 -0.047 0.000 2.728 144 L HA 0.114 4.467 4.340 0.021 0.000 0.238 144 L C 0.157 177.034 176.870 0.011 0.000 1.143 144 L CA -1.007 53.832 54.840 -0.002 0.000 0.937 144 L CB 0.294 42.348 42.059 -0.008 0.000 1.225 144 L HN -0.490 7.564 8.230 -0.074 0.132 0.507 145 A N 0.424 123.232 122.820 -0.021 0.000 2.016 145 A HA -0.170 4.125 4.320 -0.042 0.000 0.217 145 A C 1.987 179.546 177.584 -0.042 0.000 1.162 145 A CA 2.467 54.482 52.037 -0.036 0.000 0.662 145 A CB -0.530 18.447 19.000 -0.039 0.000 0.812 145 A HN -0.537 7.426 8.150 -0.030 0.169 0.450 146 G N -1.306 107.478 108.800 -0.026 0.000 2.813 146 G HA2 -0.180 3.759 3.960 -0.035 0.000 0.209 146 G HA3 -0.180 3.770 3.960 -0.017 0.000 0.209 146 G C 0.024 174.910 174.900 -0.024 0.000 1.150 146 G CA -0.312 44.772 45.100 -0.026 0.000 0.785 146 G HN 0.526 8.779 8.290 -0.017 0.027 0.535 147 R N 0.000 120.494 120.500 -0.009 0.000 2.786 147 R HA 0.000 4.366 4.340 0.043 0.000 0.208 147 R CA 0.000 56.109 56.100 0.014 0.000 0.921 147 R CB 0.000 30.362 30.300 0.103 0.000 0.687 147 R HN 0.000 8.212 8.270 -0.000 0.058 0.535