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 2b6f_1_A DATA FIRST_RESID 17 DATA SEQUENCE GAPEGPGPSG GAQGGSIHSG RIAAVHNVPL SVLIRPLPSV LDPAKVQSLV DATA SEQUENCE DTIREDPDSV PPIDVLWIKG AQGGDYFYSF GGCHRYAAYQ QLQRETIPAK DATA SEQUENCE LVQSTLSDLR VYLGASTPDL Q 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 17 G C 0.000 174.905 174.900 0.008 0.000 0.946 17 G CA 0.000 45.105 45.100 0.008 0.000 0.502 18 A N 0.497 123.322 122.820 0.009 0.000 3.411 18 A HA 0.200 4.526 4.320 0.009 0.000 0.238 18 A C -1.779 175.811 177.584 0.011 0.000 1.140 18 A CA -0.162 51.880 52.037 0.009 0.000 0.980 18 A CB 0.739 19.744 19.000 0.008 0.000 1.371 18 A HN 0.156 8.312 8.150 0.010 0.000 0.700 19 P HA 0.147 4.574 4.420 0.013 0.000 0.258 19 P C -1.142 176.164 177.300 0.010 0.000 1.559 19 P CA -0.076 63.031 63.100 0.011 0.000 0.855 19 P CB -1.351 30.355 31.700 0.010 0.000 1.594 20 E N -1.473 118.733 120.200 0.010 0.000 2.403 20 E HA 0.146 4.501 4.350 0.009 0.000 0.280 20 E C -1.712 174.894 176.600 0.010 0.000 1.101 20 E CA -0.325 56.080 56.400 0.009 0.000 0.856 20 E CB 1.805 31.510 29.700 0.008 0.000 1.303 20 E HN -0.334 7.904 8.360 0.011 0.129 0.441 21 G N 0.577 109.382 108.800 0.009 0.000 2.645 21 G HA2 0.421 4.388 3.960 0.012 0.000 0.292 21 G HA3 0.421 4.387 3.960 0.010 0.000 0.292 21 G C -2.106 172.800 174.900 0.009 0.000 1.415 21 G CA -0.608 44.498 45.100 0.010 0.000 0.785 21 G HN 0.430 8.725 8.290 0.008 0.000 0.483 22 P HA 0.475 4.900 4.420 0.008 0.000 0.196 22 P C 0.238 177.542 177.300 0.006 0.000 1.151 22 P CA 1.088 64.193 63.100 0.008 0.000 0.857 22 P CB 0.430 32.136 31.700 0.010 0.000 0.703 23 G N -1.362 107.441 108.800 0.004 0.000 2.322 23 G HA2 0.014 3.974 3.960 0.001 0.000 0.295 23 G HA3 0.014 3.975 3.960 0.002 0.000 0.295 23 G C -3.005 171.895 174.900 -0.001 0.000 1.369 23 G CA -0.425 44.676 45.100 0.002 0.000 0.821 23 G HN -0.058 8.235 8.290 0.005 0.000 0.536 24 P HA 0.318 4.733 4.420 -0.008 0.000 0.281 24 P C -1.347 175.951 177.300 -0.004 0.000 1.252 24 P CA -0.262 62.835 63.100 -0.005 0.000 0.778 24 P CB 0.609 32.305 31.700 -0.007 0.000 0.895 25 S N 0.828 116.525 115.700 -0.004 0.000 2.952 25 S HA 0.087 4.555 4.470 -0.002 0.000 0.238 25 S C -0.536 174.062 174.600 -0.004 0.000 0.780 25 S CA 0.114 58.312 58.200 -0.003 0.000 1.150 25 S CB 0.877 64.077 63.200 0.000 0.000 1.320 25 S HN 0.219 8.525 8.310 -0.007 0.000 0.540 26 G N 0.567 109.362 108.800 -0.008 0.000 1.843 26 G HA2 -0.109 3.847 3.960 -0.008 0.000 0.278 26 G HA3 -0.109 3.845 3.960 -0.010 0.000 0.278 26 G C -1.309 173.581 174.900 -0.016 0.000 1.708 26 G CA -0.028 45.066 45.100 -0.010 0.000 0.918 26 G HN -0.352 7.932 8.290 -0.009 0.000 0.661 27 G N 1.712 110.503 108.800 -0.014 0.000 2.624 27 G HA2 -0.072 3.875 3.960 -0.023 0.000 0.292 27 G HA3 -0.072 3.879 3.960 -0.015 0.000 0.292 27 G C -0.220 174.664 174.900 -0.027 0.000 0.777 27 G CA -0.427 44.661 45.100 -0.019 0.000 1.883 27 G HN 0.175 8.459 8.290 -0.009 0.000 0.505 28 A N 5.560 128.357 122.820 -0.038 0.000 1.898 28 A HA -0.057 4.239 4.320 -0.041 0.000 0.214 28 A C 0.405 177.951 177.584 -0.064 0.000 1.183 28 A CA 0.967 52.973 52.037 -0.052 0.000 0.622 28 A CB 0.412 19.370 19.000 -0.071 0.000 0.824 28 A HN -0.101 8.016 8.150 -0.039 0.009 0.444 29 Q N -1.175 118.583 119.800 -0.070 0.000 2.352 29 Q HA -0.144 4.143 4.340 -0.088 0.000 0.260 29 Q C 0.614 176.587 176.000 -0.046 0.000 0.976 29 Q CA 0.566 56.326 55.803 -0.072 0.000 0.881 29 Q CB 0.278 28.972 28.738 -0.074 0.000 1.235 29 Q HN -0.065 8.165 8.270 -0.066 0.000 0.419 30 G N 1.255 110.030 108.800 -0.040 0.000 2.168 30 G HA2 -0.318 3.629 3.960 -0.022 0.000 0.257 30 G HA3 -0.318 3.629 3.960 -0.023 0.000 0.257 30 G C -0.101 174.791 174.900 -0.014 0.000 0.997 30 G CA -0.153 44.933 45.100 -0.024 0.000 0.708 30 G HN 0.449 8.709 8.290 -0.048 0.000 0.520 31 G N -0.114 108.676 108.800 -0.017 0.000 2.398 31 G HA2 0.049 4.009 3.960 0.000 0.000 0.246 31 G HA3 0.049 4.004 3.960 -0.009 0.000 0.246 31 G C -0.395 174.512 174.900 0.011 0.000 1.289 31 G CA -0.508 44.589 45.100 -0.004 0.000 0.869 31 G HN -0.627 7.592 8.290 -0.028 0.054 0.543 32 S N 1.702 117.418 115.700 0.027 0.000 2.626 32 S HA 0.060 4.548 4.470 0.029 0.000 0.257 32 S C 1.280 175.915 174.600 0.059 0.000 1.288 32 S CA -0.828 57.397 58.200 0.042 0.000 0.980 32 S CB 0.985 64.218 63.200 0.054 0.000 0.975 32 S HN -0.166 8.162 8.310 0.030 0.000 0.577 33 I N -4.545 116.066 120.570 0.069 0.000 2.546 33 I HA 0.115 4.321 4.170 0.061 0.000 0.275 33 I C -1.244 174.966 176.117 0.154 0.000 1.032 33 I CA 0.662 62.010 61.300 0.081 0.000 2.040 33 I CB -1.946 36.092 38.000 0.064 0.000 1.464 33 I HN 0.382 8.627 8.210 0.058 0.000 0.865 34 H N 0.571 119.647 119.070 0.010 0.000 3.582 34 H HA 0.084 4.648 4.556 0.013 0.000 0.251 34 H C -0.647 174.687 175.328 0.010 0.000 1.095 34 H CA 0.286 56.340 56.048 0.011 0.000 1.157 34 H CB 0.901 30.668 29.762 0.008 0.000 1.485 34 H HN 0.162 8.419 8.280 0.107 0.088 0.840 35 S N 1.195 116.879 115.700 -0.026 0.000 2.365 35 S HA -0.068 4.361 4.470 -0.069 0.000 0.194 35 S C -0.039 174.500 174.600 -0.101 0.000 1.093 35 S CA 1.358 59.521 58.200 -0.062 0.000 1.224 35 S CB 1.019 64.212 63.200 -0.011 0.000 0.961 35 S HN -0.513 7.821 8.310 0.039 0.000 0.412 36 G N -1.297 107.472 108.800 -0.052 0.000 2.761 36 G HA2 0.213 4.141 3.960 -0.054 0.000 0.296 36 G HA3 0.213 4.153 3.960 -0.035 0.000 0.296 36 G C -2.735 172.160 174.900 -0.009 0.000 1.416 36 G CA 0.269 45.346 45.100 -0.039 0.000 1.105 36 G HN 0.082 8.353 8.290 -0.031 0.000 0.565 37 R N 2.077 122.583 120.500 0.010 0.000 2.687 37 R HA 0.246 4.614 4.340 0.046 0.000 0.265 37 R C -1.494 174.846 176.300 0.066 0.000 1.048 37 R CA -0.206 55.918 56.100 0.041 0.000 0.884 37 R CB 2.401 32.722 30.300 0.035 0.000 1.258 37 R HN 0.124 8.396 8.270 0.005 0.000 0.469 38 I N 3.418 124.053 120.570 0.107 0.000 2.542 38 I HA 0.197 4.423 4.170 0.093 0.000 0.278 38 I C -1.524 174.681 176.117 0.146 0.000 1.069 38 I CA 0.107 61.477 61.300 0.116 0.000 1.100 38 I CB 1.128 39.199 38.000 0.117 0.000 1.204 38 I HN 0.365 8.657 8.210 0.136 0.000 0.470 39 A N 7.317 130.214 122.820 0.129 0.000 2.273 39 A HA 0.371 4.779 4.320 0.146 0.000 0.315 39 A C -1.562 176.099 177.584 0.127 0.000 1.256 39 A CA -0.648 51.471 52.037 0.136 0.000 0.851 39 A CB 0.834 19.912 19.000 0.130 0.000 1.172 39 A HN 0.285 8.500 8.150 0.107 0.000 0.508 40 A N 2.667 125.583 122.820 0.160 0.000 2.534 40 A HA 0.262 4.650 4.320 0.112 0.000 0.300 40 A C -2.221 175.499 177.584 0.226 0.000 1.223 40 A CA -0.814 51.323 52.037 0.167 0.000 0.666 40 A CB 1.963 21.055 19.000 0.154 0.000 1.316 40 A HN 0.072 8.313 8.150 0.151 0.000 0.468 41 V N -0.888 119.100 119.914 0.124 0.000 2.686 41 V HA -0.166 4.004 4.120 0.083 0.000 0.295 41 V C -0.648 175.470 176.094 0.040 0.000 1.055 41 V CA 0.562 62.905 62.300 0.072 0.000 1.050 41 V CB 0.418 32.238 31.823 -0.006 0.000 0.984 41 V HN -0.003 8.225 8.190 0.064 0.000 0.482 42 H N 5.221 124.225 119.070 -0.111 0.000 2.974 42 H HA 0.183 4.664 4.556 -0.124 0.000 0.366 42 H C -1.448 173.769 175.328 -0.184 0.000 1.155 42 H CA -0.842 55.114 56.048 -0.153 0.000 1.186 42 H CB 4.392 34.029 29.762 -0.210 0.000 1.799 42 H HN -0.236 8.083 8.280 0.065 0.000 0.541 43 N N 3.574 122.212 118.700 -0.103 0.000 2.448 43 N HA -0.002 4.811 4.740 -0.153 -0.165 0.250 43 N C -0.915 174.485 175.510 -0.184 0.000 1.136 43 N CA -0.180 52.787 53.050 -0.138 0.000 0.953 43 N CB -0.128 38.290 38.487 -0.114 0.000 1.251 43 N HN 0.322 8.623 8.380 -0.132 0.000 0.502 44 V N 6.355 126.114 119.914 -0.257 0.000 2.432 44 V HA 0.305 4.178 4.120 -0.412 0.000 0.271 44 V C -1.820 174.107 176.094 -0.278 0.000 1.046 44 V CA -3.558 58.513 62.300 -0.381 0.000 0.945 44 V CB 1.516 32.994 31.823 -0.576 0.000 0.992 44 V HN -0.307 7.735 8.190 -0.246 0.000 0.471 45 P HA -0.064 4.287 4.420 -0.114 0.000 0.263 45 P C 0.901 178.135 177.300 -0.110 0.000 1.175 45 P CA 0.649 63.668 63.100 -0.136 0.000 0.761 45 P CB 0.355 31.995 31.700 -0.100 0.000 0.794 46 L N 4.014 125.195 121.223 -0.071 0.000 2.201 46 L HA -0.265 4.074 4.340 -0.002 0.000 0.212 46 L C 2.139 179.024 176.870 0.025 0.000 1.105 46 L CA 2.869 57.702 54.840 -0.011 0.000 0.775 46 L CB -0.328 41.721 42.059 -0.016 0.000 0.913 46 L HN -0.218 7.970 8.230 -0.070 0.000 0.440 47 S N -1.920 113.780 115.700 0.001 0.000 2.474 47 S HA -0.188 4.298 4.470 0.027 0.000 0.235 47 S C 0.813 175.420 174.600 0.012 0.000 0.997 47 S CA 2.299 60.506 58.200 0.012 0.000 0.949 47 S CB -0.041 63.160 63.200 0.002 0.000 0.766 47 S HN 0.197 8.472 8.310 -0.019 0.023 0.517 48 V N -4.138 115.778 119.914 0.004 0.000 3.121 48 V HA 0.256 4.405 4.120 0.048 0.000 0.344 48 V C -1.837 174.290 176.094 0.055 0.000 1.390 48 V CA -1.129 61.198 62.300 0.045 0.000 1.177 48 V CB 0.339 32.211 31.823 0.082 0.000 1.163 48 V HN -0.767 7.258 8.190 -0.022 0.153 0.484 49 L N 0.945 122.167 121.223 -0.002 0.000 2.326 49 L HA 0.112 4.444 4.340 -0.014 0.000 0.278 49 L C -0.357 176.434 176.870 -0.132 0.000 1.092 49 L CA -0.540 54.272 54.840 -0.047 0.000 0.810 49 L CB 0.921 42.953 42.059 -0.045 0.000 1.153 49 L HN -0.956 7.207 8.230 0.001 0.068 0.439 50 I N 4.052 124.475 120.570 -0.244 0.000 2.330 50 I HA 0.182 4.170 4.170 -0.304 0.000 0.289 50 I C -1.577 174.250 176.117 -0.483 0.000 1.001 50 I CA -0.401 60.645 61.300 -0.423 0.000 1.193 50 I CB 0.656 38.184 38.000 -0.785 0.000 1.345 50 I HN -0.040 8.040 8.210 -0.216 0.000 0.461 51 R N 7.345 127.625 120.500 -0.366 0.000 2.472 51 R HA 0.592 4.662 4.340 -0.450 0.000 0.294 51 R C -1.980 174.192 176.300 -0.214 0.000 1.243 51 R CA -2.187 53.703 56.100 -0.350 0.000 1.023 51 R CB 0.885 30.971 30.300 -0.358 0.000 1.157 51 R HN 0.341 8.435 8.270 -0.294 0.000 0.530 52 P HA 0.112 4.512 4.420 -0.034 0.000 0.254 52 P C -1.658 175.671 177.300 0.048 0.000 1.620 52 P CA 0.069 63.162 63.100 -0.011 0.000 1.050 52 P CB 0.438 32.186 31.700 0.080 0.000 1.539 53 L N 0.897 122.131 121.223 0.017 0.000 2.514 53 L HA 0.326 4.715 4.340 0.083 0.000 0.257 53 L C -2.272 174.608 176.870 0.017 0.000 1.101 53 L CA -2.018 52.865 54.840 0.072 0.000 0.911 53 L CB 1.242 43.415 42.059 0.190 0.000 1.162 53 L HN -0.605 7.498 8.230 -0.060 0.091 0.477 54 P HA 0.075 4.465 4.420 -0.049 0.000 0.271 54 P C -0.954 176.346 177.300 0.001 0.000 1.228 54 P CA -0.078 63.011 63.100 -0.018 0.000 0.797 54 P CB 0.594 32.290 31.700 -0.008 0.000 0.914 55 S N -2.710 112.984 115.700 -0.010 0.000 2.615 55 S HA 0.126 4.617 4.470 0.034 0.000 0.269 55 S C -1.412 173.190 174.600 0.003 0.000 1.161 55 S CA -0.435 57.772 58.200 0.012 0.000 0.817 55 S CB 1.624 64.833 63.200 0.015 0.000 1.131 55 S HN -0.331 7.962 8.310 -0.028 0.000 0.467 56 V N 3.305 123.240 119.914 0.035 0.000 2.348 56 V HA 0.076 4.206 4.120 0.016 0.000 0.270 56 V C -1.207 174.914 176.094 0.045 0.000 1.037 56 V CA -0.392 61.931 62.300 0.039 0.000 0.872 56 V CB 0.085 31.945 31.823 0.062 0.000 1.002 56 V HN 0.236 8.464 8.190 0.063 0.000 0.464 57 L N 6.849 128.046 121.223 -0.043 0.000 2.357 57 L HA 0.098 4.185 4.340 -0.422 0.000 0.273 57 L C -0.516 176.410 176.870 0.093 0.000 1.080 57 L CA -0.894 53.850 54.840 -0.161 0.000 0.803 57 L CB 0.970 42.866 42.059 -0.272 0.000 1.174 57 L HN 0.106 8.311 8.230 -0.041 0.000 0.443 58 D N 2.937 123.530 120.400 0.321 0.000 2.193 58 D HA 0.350 5.070 4.640 0.133 0.000 0.244 58 D C -0.980 175.407 176.300 0.145 0.000 1.064 58 D CA -3.117 51.008 54.000 0.208 0.000 0.845 58 D CB 2.710 43.633 40.800 0.205 0.000 1.148 58 D HN 0.119 8.922 8.370 0.723 0.000 0.464 59 P HA 0.047 4.499 4.420 0.054 0.000 0.229 59 P C -0.340 176.992 177.300 0.053 0.000 1.160 59 P CA 1.296 64.430 63.100 0.057 0.000 0.777 59 P CB 0.699 32.421 31.700 0.036 0.000 0.814 60 A N -0.314 122.539 122.820 0.055 0.000 1.943 60 A HA -0.079 4.259 4.320 0.029 0.000 0.213 60 A C 1.926 179.535 177.584 0.043 0.000 1.181 60 A CA 2.505 54.565 52.037 0.037 0.000 0.653 60 A CB -0.246 18.770 19.000 0.027 0.000 0.833 60 A HN 0.360 8.740 8.150 0.061 -0.192 0.451 61 K N -1.030 119.408 120.400 0.063 0.000 2.217 61 K HA -0.201 4.130 4.320 0.019 0.000 0.202 61 K C 2.243 178.902 176.600 0.098 0.000 1.051 61 K CA 2.876 59.194 56.287 0.053 0.000 0.952 61 K CB 0.216 32.714 32.500 -0.002 0.000 0.736 61 K HN 0.405 9.286 8.250 0.081 -0.582 0.453 62 V N -0.490 119.507 119.914 0.139 0.000 2.548 62 V HA -0.342 3.861 4.120 0.138 0.000 0.249 62 V C 1.888 178.010 176.094 0.047 0.000 1.055 62 V CA 3.926 66.292 62.300 0.111 0.000 1.065 62 V CB -0.120 31.756 31.823 0.090 0.000 0.681 62 V HN -0.523 7.733 8.190 0.144 0.020 0.462 63 Q N -0.511 119.310 119.800 0.035 0.000 2.084 63 Q HA -0.338 4.002 4.340 0.000 0.000 0.202 63 Q C 2.388 178.391 176.000 0.004 0.000 0.978 63 Q CA 2.988 58.798 55.803 0.011 0.000 0.844 63 Q CB -0.903 27.841 28.738 0.010 0.000 0.898 63 Q HN -0.437 7.847 8.270 0.046 0.014 0.426 64 S N 0.105 115.812 115.700 0.012 0.000 2.368 64 S HA -0.260 4.209 4.470 -0.002 0.000 0.225 64 S C 1.686 176.286 174.600 0.001 0.000 1.030 64 S CA 3.291 61.493 58.200 0.004 0.000 0.999 64 S CB -0.385 62.819 63.200 0.006 0.000 0.844 64 S HN -0.722 7.595 8.310 0.022 0.006 0.459 65 L N 1.383 122.613 121.223 0.011 0.000 2.044 65 L HA -0.239 4.103 4.340 0.004 0.000 0.205 65 L C 2.046 178.896 176.870 -0.034 0.000 1.075 65 L CA 3.051 57.894 54.840 0.005 0.000 0.747 65 L CB 0.227 42.310 42.059 0.040 0.000 0.903 65 L HN -0.758 7.409 8.230 0.027 0.080 0.435 66 V N -0.370 119.521 119.914 -0.038 0.000 2.568 66 V HA -0.615 3.434 4.120 -0.118 0.000 0.253 66 V C 1.797 177.849 176.094 -0.070 0.000 1.072 66 V CA 4.654 66.909 62.300 -0.074 0.000 1.084 66 V CB -0.403 31.387 31.823 -0.055 0.000 0.676 66 V HN 0.500 8.570 8.190 -0.014 0.112 0.469 67 D N -0.687 119.686 120.400 -0.045 0.000 2.162 67 D HA -0.108 4.506 4.640 -0.043 0.000 0.203 67 D C 2.152 178.427 176.300 -0.043 0.000 0.967 67 D CA 3.997 57.973 54.000 -0.039 0.000 0.840 67 D CB -0.331 40.454 40.800 -0.024 0.000 0.972 67 D HN -0.141 8.082 8.370 -0.032 0.128 0.482 68 T N 3.716 118.246 114.554 -0.040 0.000 2.701 68 T HA -0.279 4.054 4.350 -0.027 0.000 0.263 68 T C 1.935 176.601 174.700 -0.056 0.000 1.040 68 T CA 4.702 66.781 62.100 -0.035 0.000 1.147 68 T CB -0.283 68.573 68.868 -0.021 0.000 0.865 68 T HN -0.834 7.286 8.240 -0.035 0.099 0.426 69 I N -0.220 120.295 120.570 -0.092 0.000 2.286 69 I HA -0.398 3.705 4.170 -0.111 0.000 0.248 69 I C 1.679 177.726 176.117 -0.116 0.000 1.115 69 I CA 3.656 64.873 61.300 -0.139 0.000 1.392 69 I CB -0.521 37.311 38.000 -0.280 0.000 1.065 69 I HN -0.401 7.752 8.210 -0.095 0.000 0.418 70 R N -2.356 118.083 120.500 -0.101 0.000 2.153 70 R HA -0.142 4.147 4.340 -0.085 0.000 0.218 70 R C 1.528 177.795 176.300 -0.055 0.000 1.072 70 R CA 2.293 58.346 56.100 -0.079 0.000 0.990 70 R CB 0.311 30.569 30.300 -0.071 0.000 0.889 70 R HN -0.645 7.556 8.270 -0.101 0.009 0.452 71 E N -2.846 117.326 120.200 -0.047 0.000 2.166 71 E HA 0.020 4.352 4.350 -0.031 0.000 0.192 71 E C -0.570 176.013 176.600 -0.029 0.000 0.967 71 E CA 1.584 57.964 56.400 -0.033 0.000 0.840 71 E CB 1.483 31.168 29.700 -0.027 0.000 0.795 71 E HN -0.309 7.824 8.360 -0.051 0.197 0.470 72 D N -1.877 118.504 120.400 -0.031 0.000 2.318 72 D HA 0.350 4.977 4.640 -0.022 0.000 0.233 72 D C -1.515 174.771 176.300 -0.024 0.000 1.348 72 D CA -2.387 51.599 54.000 -0.023 0.000 0.983 72 D CB 2.184 42.975 40.800 -0.015 0.000 1.416 72 D HN 0.300 8.517 8.370 -0.038 0.130 0.558 73 P HA 0.107 4.508 4.420 -0.031 0.000 0.245 73 P C -0.325 176.977 177.300 0.004 0.000 1.212 73 P CA 0.849 63.937 63.100 -0.020 0.000 0.774 73 P CB 0.294 31.978 31.700 -0.027 0.000 0.999 74 D N 0.132 120.533 120.400 0.001 0.000 2.271 74 D HA 0.052 4.698 4.640 0.011 0.000 0.206 74 D C 0.541 176.848 176.300 0.011 0.000 0.967 74 D CA 1.463 55.467 54.000 0.007 0.000 0.867 74 D CB 0.112 40.913 40.800 0.001 0.000 0.960 74 D HN -0.307 8.186 8.370 -0.006 -0.127 0.509 75 S N -0.406 115.299 115.700 0.008 0.000 2.803 75 S HA -0.009 4.468 4.470 0.012 0.000 0.228 75 S C -0.754 173.858 174.600 0.020 0.000 0.953 75 S CA 0.815 59.022 58.200 0.012 0.000 0.983 75 S CB -0.090 63.113 63.200 0.006 0.000 0.784 75 S HN -0.446 8.099 8.310 0.003 -0.233 0.498 76 V N 3.549 123.481 119.914 0.030 0.000 2.325 76 V HA 0.225 4.373 4.120 0.047 0.000 0.280 76 V C -2.162 173.968 176.094 0.060 0.000 1.016 76 V CA -2.969 59.362 62.300 0.051 0.000 0.818 76 V CB 1.017 32.880 31.823 0.067 0.000 1.019 76 V HN -0.708 7.375 8.190 0.028 0.124 0.434 77 P HA 0.357 4.799 4.420 0.037 0.000 0.274 77 P C -1.947 175.382 177.300 0.047 0.000 1.246 77 P CA -1.784 61.343 63.100 0.044 0.000 0.795 77 P CB -0.272 31.450 31.700 0.038 0.000 1.006 78 P HA 0.064 4.482 4.420 -0.004 0.000 0.275 78 P C -0.216 177.097 177.300 0.022 0.000 1.266 78 P CA -0.633 62.474 63.100 0.012 0.000 0.793 78 P CB 0.920 32.622 31.700 0.003 0.000 1.074 79 I N -5.423 115.152 120.570 0.009 0.000 2.822 79 I HA 0.402 4.598 4.170 0.045 0.000 0.312 79 I C -1.417 174.722 176.117 0.038 0.000 1.011 79 I CA -2.234 59.084 61.300 0.030 0.000 1.105 79 I CB 2.062 40.077 38.000 0.025 0.000 1.291 79 I HN -0.466 7.732 8.210 -0.021 0.000 0.474 80 D N 1.502 121.938 120.400 0.060 0.000 2.308 80 D HA 0.124 4.810 4.640 0.076 0.000 0.251 80 D C -0.972 175.379 176.300 0.086 0.000 1.127 80 D CA 0.625 54.673 54.000 0.079 0.000 0.876 80 D CB 1.099 41.957 40.800 0.097 0.000 1.176 80 D HN 0.023 8.433 8.370 0.066 0.000 0.446 81 V N 3.265 123.241 119.914 0.103 0.000 2.760 81 V HA 0.305 4.581 4.120 0.117 -0.086 0.309 81 V C -1.971 174.248 176.094 0.209 0.000 1.077 81 V CA -1.710 60.667 62.300 0.129 0.000 0.910 81 V CB 3.821 35.696 31.823 0.085 0.000 1.008 81 V HN -0.002 8.251 8.190 0.105 0.000 0.424 82 L N 3.738 125.113 121.223 0.254 0.000 2.305 82 L HA 0.201 4.837 4.340 0.269 -0.135 0.281 82 L C -1.253 175.860 176.870 0.405 0.000 1.085 82 L CA -0.795 54.222 54.840 0.295 0.000 0.813 82 L CB 0.875 43.092 42.059 0.264 0.000 1.157 82 L HN 0.349 8.722 8.230 0.238 0.000 0.436 83 W N 7.168 128.557 121.300 0.149 0.000 2.278 83 W HA 0.436 5.144 4.660 0.080 0.000 0.317 83 W C -2.363 174.171 176.519 0.024 0.000 1.030 83 W CA -2.699 54.703 57.345 0.095 0.000 1.334 83 W CB 0.507 30.039 29.460 0.121 0.000 1.215 83 W HN 0.283 8.714 8.180 0.418 0.000 0.405 84 I N 7.304 127.987 120.570 0.189 0.000 2.689 84 I HA 0.422 4.507 4.170 -0.143 0.000 0.299 84 I C -1.389 174.749 176.117 0.036 0.000 1.059 84 I CA -1.493 59.810 61.300 0.004 0.000 1.055 84 I CB 4.383 42.418 38.000 0.058 0.000 1.243 84 I HN 0.018 8.406 8.210 0.298 0.000 0.425 85 K N 4.131 124.504 120.400 -0.045 0.000 2.166 85 K HA 0.539 5.093 4.320 0.116 -0.164 0.245 85 K C -0.209 176.464 176.600 0.123 0.000 0.967 85 K CA -1.491 54.821 56.287 0.042 0.000 0.863 85 K CB 3.102 35.554 32.500 -0.080 0.000 1.107 85 K HN 0.212 8.389 8.250 -0.122 0.000 0.436 86 G N -1.842 107.096 108.800 0.230 0.000 2.531 86 G HA2 0.287 4.295 3.960 0.081 0.000 0.281 86 G HA3 0.287 4.551 3.960 0.263 -0.147 0.281 86 G C -0.483 174.464 174.900 0.079 0.000 1.382 86 G CA -1.228 43.972 45.100 0.167 0.000 1.045 86 G HN -0.169 8.284 8.290 0.273 0.000 0.533 87 A N -1.821 121.031 122.820 0.054 0.000 2.209 87 A HA -0.101 4.227 4.320 0.013 0.000 0.212 87 A C 0.348 177.953 177.584 0.034 0.000 1.158 87 A CA 1.874 53.928 52.037 0.027 0.000 0.742 87 A CB 0.095 19.105 19.000 0.016 0.000 0.790 87 A HN -0.136 7.938 8.150 0.050 0.106 0.472 88 Q N -3.153 116.682 119.800 0.058 0.000 2.144 88 Q HA 0.135 4.492 4.340 0.029 0.000 0.305 88 Q C -0.221 175.803 176.000 0.040 0.000 0.876 88 Q CA -1.256 54.574 55.803 0.045 0.000 1.130 88 Q CB 0.089 28.858 28.738 0.052 0.000 1.267 88 Q HN -0.190 7.975 8.270 0.092 0.160 0.433 89 G N -1.001 107.818 108.800 0.033 0.000 2.270 89 G HA2 -0.370 3.591 3.960 0.001 0.000 0.268 89 G HA3 -0.370 3.596 3.960 0.009 0.000 0.268 89 G C 0.232 175.128 174.900 -0.006 0.000 0.982 89 G CA 0.367 45.474 45.100 0.012 0.000 0.628 89 G HN -0.548 7.761 8.290 0.032 0.000 0.544 90 G N 0.857 109.663 108.800 0.010 0.000 2.209 90 G HA2 -0.331 3.504 3.960 -0.208 0.000 0.271 90 G HA3 -0.331 3.587 3.960 -0.070 0.000 0.271 90 G C -0.910 173.727 174.900 -0.438 0.000 1.111 90 G CA 0.022 45.018 45.100 -0.173 0.000 1.092 90 G HN -0.490 7.711 8.290 0.067 0.129 0.416 91 D N 5.459 125.583 120.400 -0.458 0.000 2.350 91 D HA -0.058 4.485 4.640 -0.161 0.000 0.249 91 D C -0.785 174.961 176.300 -0.923 0.000 1.119 91 D CA 1.000 54.749 54.000 -0.418 0.000 0.886 91 D CB 1.299 41.994 40.800 -0.174 0.000 1.195 91 D HN -0.451 7.723 8.370 -0.328 0.000 0.437 92 Y N 1.555 121.651 120.300 -0.339 0.000 2.406 92 Y HA 0.161 4.547 4.550 -0.273 0.000 0.340 92 Y C -1.608 174.063 175.900 -0.382 0.000 0.975 92 Y CA -0.688 57.243 58.100 -0.281 0.000 1.056 92 Y CB 2.978 41.450 38.460 0.020 0.000 1.210 92 Y HN 0.643 8.844 8.280 -0.133 0.000 0.448 93 F N 1.550 121.609 119.950 0.181 0.000 2.404 93 F HA 0.523 5.342 4.527 0.225 -0.157 0.354 93 F C -0.899 174.892 175.800 -0.015 0.000 1.122 93 F CA -1.587 56.479 58.000 0.110 0.000 1.080 93 F CB 1.116 40.098 39.000 -0.029 0.000 1.131 93 F HN 0.862 9.192 8.300 0.049 0.000 0.471 94 Y N 3.523 123.908 120.300 0.140 0.000 2.360 94 Y HA 0.248 4.716 4.550 -0.136 0.000 0.337 94 Y C -0.978 174.826 175.900 -0.161 0.000 1.039 94 Y CA -0.594 57.469 58.100 -0.063 0.000 1.109 94 Y CB 3.269 41.731 38.460 0.002 0.000 1.201 94 Y HN 0.413 8.972 8.280 0.466 0.000 0.458 95 S N 1.279 116.783 115.700 -0.327 0.000 2.532 95 S HA 0.328 4.741 4.470 -0.095 0.000 0.299 95 S C -1.624 172.614 174.600 -0.603 0.000 1.105 95 S CA -0.912 57.116 58.200 -0.286 0.000 1.018 95 S CB 1.896 64.980 63.200 -0.194 0.000 1.021 95 S HN -0.214 7.781 8.310 -0.524 0.000 0.483 96 F N 6.597 126.505 119.950 -0.070 0.000 2.676 96 F HA 0.189 4.673 4.527 -0.071 0.000 0.371 96 F C -0.861 174.921 175.800 -0.030 0.000 1.141 96 F CA -0.598 57.344 58.000 -0.098 0.000 1.133 96 F CB 0.703 39.535 39.000 -0.279 0.000 1.376 96 F HN 0.409 8.732 8.300 0.038 0.000 0.491 97 G N 1.505 110.380 108.800 0.124 0.000 2.302 97 G HA2 -0.168 3.871 3.960 0.131 0.000 0.276 97 G HA3 -0.168 3.866 3.960 0.124 0.000 0.276 97 G C -0.478 174.476 174.900 0.090 0.000 1.316 97 G CA -0.634 44.537 45.100 0.118 0.000 0.988 97 G HN -0.371 7.954 8.290 0.057 0.000 0.479 98 G N -1.352 107.512 108.800 0.107 0.000 2.309 98 G HA2 -0.345 3.693 3.960 0.130 0.000 0.286 98 G HA3 -0.345 3.674 3.960 0.098 0.000 0.286 98 G C 1.075 176.062 174.900 0.144 0.000 1.002 98 G CA 1.193 46.364 45.100 0.119 0.000 0.786 98 G HN 0.348 8.703 8.290 0.108 0.000 0.511 99 C N -0.898 118.486 119.300 0.139 0.000 2.388 99 C HA -0.491 3.993 4.460 0.038 0.000 0.277 99 C C 1.710 176.775 174.990 0.126 0.000 1.210 99 C CA 3.150 62.226 59.018 0.096 0.000 1.743 99 C CB 0.072 27.855 27.740 0.073 0.000 2.047 99 C HN -0.009 8.258 8.230 0.143 0.049 0.458 100 H N -0.167 118.964 119.070 0.103 0.000 2.421 100 H HA -0.201 4.420 4.556 0.108 0.000 0.298 100 H C 1.845 177.247 175.328 0.123 0.000 1.087 100 H CA 4.027 60.137 56.048 0.103 0.000 1.330 100 H CB -0.477 29.328 29.762 0.071 0.000 1.388 100 H HN 0.048 8.590 8.280 0.436 0.000 0.526 101 R N -0.571 120.078 120.500 0.247 0.000 2.120 101 R HA -0.341 4.120 4.340 0.202 0.000 0.234 101 R C 1.711 178.156 176.300 0.241 0.000 1.123 101 R CA 2.862 59.094 56.100 0.219 0.000 0.975 101 R CB -0.854 29.558 30.300 0.186 0.000 0.866 101 R HN 0.303 8.619 8.270 0.246 0.103 0.446 102 Y N 0.177 120.529 120.300 0.088 0.000 2.200 102 Y HA -0.405 4.186 4.550 0.069 0.000 0.290 102 Y C 0.807 176.749 175.900 0.070 0.000 1.137 102 Y CA 3.407 61.541 58.100 0.058 0.000 1.163 102 Y CB -0.001 38.453 38.460 -0.010 0.000 0.988 102 Y HN -0.160 8.170 8.280 0.298 0.129 0.518 103 A N -1.167 121.753 122.820 0.165 0.000 1.908 103 A HA -0.509 3.822 4.320 0.018 0.000 0.218 103 A C 1.721 179.277 177.584 -0.048 0.000 1.181 103 A CA 3.141 55.201 52.037 0.038 0.000 0.627 103 A CB -1.276 17.753 19.000 0.050 0.000 0.818 103 A HN -0.353 7.954 8.150 0.261 0.000 0.445 104 A N -0.992 121.830 122.820 0.004 0.000 1.877 104 A HA -0.304 3.984 4.320 -0.054 0.000 0.216 104 A C 1.970 179.479 177.584 -0.125 0.000 1.186 104 A CA 2.764 54.773 52.037 -0.047 0.000 0.620 104 A CB -0.479 18.506 19.000 -0.024 0.000 0.822 104 A HN -0.433 7.758 8.150 0.067 0.000 0.443 105 Y N -1.652 118.548 120.300 -0.166 0.000 2.200 105 Y HA -0.457 4.010 4.550 -0.138 0.000 0.290 105 Y C 2.316 178.051 175.900 -0.276 0.000 1.137 105 Y CA 4.968 62.948 58.100 -0.200 0.000 1.163 105 Y CB 0.059 38.392 38.460 -0.211 0.000 0.988 105 Y HN -0.632 7.722 8.280 0.123 0.000 0.518 106 Q N -1.006 118.620 119.800 -0.291 0.000 2.119 106 Q HA -0.407 3.758 4.340 -0.291 0.000 0.201 106 Q C 2.661 178.564 176.000 -0.162 0.000 0.972 106 Q CA 3.436 59.033 55.803 -0.343 0.000 0.847 106 Q CB -0.173 28.196 28.738 -0.615 0.000 0.903 106 Q HN 0.488 8.407 8.270 -0.397 0.114 0.433 107 Q N 0.161 119.883 119.800 -0.130 0.000 2.123 107 Q HA -0.183 4.119 4.340 -0.063 0.000 0.199 107 Q C 1.703 177.652 176.000 -0.084 0.000 0.966 107 Q CA 2.299 58.053 55.803 -0.082 0.000 0.845 107 Q CB -0.015 28.684 28.738 -0.064 0.000 0.907 107 Q HN 0.094 8.155 8.270 -0.145 0.122 0.439 108 L N -2.087 119.069 121.223 -0.111 0.000 2.711 108 L HA -0.062 4.222 4.340 -0.094 0.000 0.242 108 L C -1.041 175.780 176.870 -0.082 0.000 1.153 108 L CA -0.140 54.633 54.840 -0.111 0.000 0.898 108 L CB -0.410 41.543 42.059 -0.177 0.000 1.044 108 L HN -0.525 7.625 8.230 -0.134 0.000 0.437 109 Q N -6.101 113.658 119.800 -0.070 0.000 2.434 109 Q HA -0.505 3.806 4.340 -0.049 0.000 0.299 109 Q C -0.647 175.331 176.000 -0.037 0.000 1.286 109 Q CA 0.928 56.701 55.803 -0.049 0.000 0.872 109 Q CB -2.707 26.007 28.738 -0.040 0.000 1.193 109 Q HN -0.649 7.347 8.270 -0.078 0.227 0.466 110 R N -1.391 119.094 120.500 -0.026 0.000 2.577 110 R HA 0.081 4.418 4.340 -0.006 0.000 0.269 110 R C 0.475 176.782 176.300 0.011 0.000 1.084 110 R CA -0.784 55.323 56.100 0.012 0.000 1.163 110 R CB 0.439 30.797 30.300 0.097 0.000 1.100 110 R HN -0.785 7.458 8.270 -0.035 0.006 0.547 111 E N 0.231 120.436 120.200 0.009 0.000 2.086 111 E HA -0.070 4.270 4.350 -0.016 0.000 0.190 111 E C -0.441 176.144 176.600 -0.025 0.000 0.975 111 E CA 2.455 58.848 56.400 -0.011 0.000 0.813 111 E CB 0.722 30.413 29.700 -0.016 0.000 0.768 111 E HN 0.378 8.747 8.360 0.015 0.000 0.457 112 T N -5.244 109.298 114.554 -0.020 0.000 2.831 112 T HA 0.230 4.518 4.350 -0.103 0.000 0.287 112 T C -1.628 172.990 174.700 -0.138 0.000 1.070 112 T CA -1.776 60.274 62.100 -0.083 0.000 1.010 112 T CB 3.078 71.889 68.868 -0.093 0.000 1.264 112 T HN -0.636 7.612 8.240 0.013 0.000 0.532 113 I N 0.195 120.591 120.570 -0.291 0.000 2.686 113 I HA 0.599 4.222 4.170 -0.912 0.000 0.295 113 I C -2.738 173.124 176.117 -0.424 0.000 1.114 113 I CA -4.099 56.809 61.300 -0.653 0.000 1.038 113 I CB 4.279 41.787 38.000 -0.819 0.000 1.238 113 I HN -0.152 7.911 8.210 -0.246 0.000 0.420 114 P HA 0.170 4.629 4.420 -0.143 -0.124 0.271 114 P C -1.921 175.279 177.300 -0.167 0.000 1.220 114 P CA -0.313 62.680 63.100 -0.179 0.000 0.768 114 P CB -0.164 31.490 31.700 -0.077 0.000 0.848 115 A N 2.672 125.422 122.820 -0.116 0.000 2.465 115 A HA 0.274 4.727 4.320 -0.062 -0.171 0.292 115 A C -2.046 175.520 177.584 -0.030 0.000 1.041 115 A CA -0.829 51.158 52.037 -0.082 0.000 0.718 115 A CB 3.609 22.535 19.000 -0.124 0.000 1.266 115 A HN 0.235 8.326 8.150 -0.099 0.000 0.403 116 K N 5.553 125.959 120.400 0.009 0.000 2.383 116 K HA 0.013 4.366 4.320 0.055 0.000 0.286 116 K C -0.936 175.698 176.600 0.056 0.000 1.051 116 K CA -0.133 56.180 56.287 0.045 0.000 0.974 116 K CB 0.920 33.455 32.500 0.058 0.000 0.968 116 K HN 0.268 8.524 8.250 0.010 0.000 0.475 117 L N 5.307 126.560 121.223 0.049 0.000 2.326 117 L HA 0.144 4.670 4.340 0.120 -0.114 0.278 117 L C -0.113 176.870 176.870 0.188 0.000 1.092 117 L CA -0.333 54.560 54.840 0.087 0.000 0.810 117 L CB 0.651 42.663 42.059 -0.079 0.000 1.153 117 L HN -0.488 7.771 8.230 0.047 0.000 0.439 118 V N 3.753 123.824 119.914 0.261 0.000 2.419 118 V HA 0.119 4.362 4.120 0.205 0.000 0.287 118 V C -1.370 174.883 176.094 0.264 0.000 1.017 118 V CA -1.396 61.043 62.300 0.231 0.000 0.844 118 V CB 2.368 34.294 31.823 0.172 0.000 1.011 118 V HN 0.031 8.400 8.190 0.298 0.000 0.429 119 Q N 8.151 128.091 119.800 0.233 0.000 2.283 119 Q HA -0.273 4.225 4.340 0.026 -0.143 0.301 119 Q C -0.817 175.206 176.000 0.037 0.000 1.063 119 Q CA 1.108 56.947 55.803 0.060 0.000 0.952 119 Q CB -0.146 28.549 28.738 -0.073 0.000 1.166 119 Q HN 0.443 8.856 8.270 0.239 0.000 0.381 120 S N 4.654 120.354 115.700 0.000 0.000 2.806 120 S HA 0.463 4.947 4.470 0.023 0.000 0.306 120 S C -1.715 172.865 174.600 -0.034 0.000 1.167 120 S CA -0.602 57.609 58.200 0.019 0.000 0.847 120 S CB 2.730 65.981 63.200 0.084 0.000 1.216 120 S HN 0.157 8.435 8.310 -0.055 0.000 0.532 121 T N -3.515 111.027 114.554 -0.019 0.000 2.916 121 T HA 0.328 4.641 4.350 -0.061 0.000 0.292 121 T C 0.467 175.144 174.700 -0.038 0.000 1.064 121 T CA -1.794 60.281 62.100 -0.041 0.000 1.011 121 T CB 2.104 70.948 68.868 -0.039 0.000 1.152 121 T HN -0.192 8.051 8.240 0.005 0.000 0.510 122 L N 0.832 122.025 121.223 -0.050 0.000 2.189 122 L HA -0.292 4.000 4.340 -0.080 0.000 0.214 122 L C 1.705 178.543 176.870 -0.052 0.000 1.097 122 L CA 2.594 57.397 54.840 -0.061 0.000 0.764 122 L CB -0.090 41.934 42.059 -0.058 0.000 0.900 122 L HN 0.367 8.566 8.230 -0.051 0.000 0.436 123 S N -1.847 113.827 115.700 -0.043 0.000 2.359 123 S HA -0.383 4.058 4.470 -0.049 0.000 0.224 123 S C 2.334 176.908 174.600 -0.044 0.000 1.035 123 S CA 3.755 61.928 58.200 -0.045 0.000 1.018 123 S CB -0.960 62.216 63.200 -0.041 0.000 0.876 123 S HN -0.020 8.236 8.310 -0.041 0.030 0.448 124 D N 2.175 122.564 120.400 -0.019 0.000 2.149 124 D HA -0.251 4.366 4.640 -0.038 0.000 0.198 124 D C 2.241 178.581 176.300 0.067 0.000 0.990 124 D CA 3.024 57.033 54.000 0.017 0.000 0.839 124 D CB -0.043 40.808 40.800 0.085 0.000 0.948 124 D HN -0.587 7.774 8.370 -0.015 0.000 0.460 125 L N -2.087 119.156 121.223 0.033 0.000 2.141 125 L HA -0.228 4.214 4.340 0.170 0.000 0.209 125 L C 1.112 177.981 176.870 -0.001 0.000 1.094 125 L CA 2.611 57.464 54.840 0.022 0.000 0.763 125 L CB 0.076 42.033 42.059 -0.170 0.000 0.908 125 L HN -0.677 7.442 8.230 -0.010 0.105 0.437 126 R N -1.026 119.446 120.500 -0.047 0.000 2.096 126 R HA -0.311 4.001 4.340 -0.047 0.000 0.235 126 R C 1.974 178.209 176.300 -0.109 0.000 1.127 126 R CA 2.932 58.994 56.100 -0.063 0.000 0.968 126 R CB -0.703 29.559 30.300 -0.063 0.000 0.861 126 R HN -0.507 7.607 8.270 -0.050 0.126 0.440 127 V N -2.340 117.465 119.914 -0.182 0.000 2.392 127 V HA -0.357 3.612 4.120 -0.252 0.000 0.249 127 V C 1.814 177.641 176.094 -0.444 0.000 1.059 127 V CA 3.534 65.629 62.300 -0.342 0.000 1.051 127 V CB -0.494 31.031 31.823 -0.497 0.000 0.658 127 V HN -0.430 7.564 8.190 -0.150 0.106 0.455 128 Y N -3.412 116.754 120.300 -0.224 0.000 2.301 128 Y HA -0.058 4.301 4.550 -0.319 0.000 0.295 128 Y C 0.895 176.686 175.900 -0.183 0.000 1.126 128 Y CA 2.686 60.587 58.100 -0.332 0.000 1.154 128 Y CB 1.026 39.050 38.460 -0.726 0.000 1.075 128 Y HN -0.958 7.109 8.280 -0.164 0.114 0.534 129 L N -2.625 118.630 121.223 0.053 0.000 3.100 129 L HA 0.449 4.826 4.340 0.062 0.000 0.259 129 L C 0.039 176.915 176.870 0.009 0.000 1.316 129 L CA -0.824 54.049 54.840 0.056 0.000 0.992 129 L CB -0.200 41.921 42.059 0.104 0.000 1.390 129 L HN 0.670 8.823 8.230 0.059 0.113 0.550 130 G N -0.023 108.763 108.800 -0.023 0.000 3.337 130 G HA2 -0.185 3.707 3.960 -0.035 0.000 0.226 130 G HA3 -0.185 3.766 3.960 -0.049 -0.020 0.226 130 G C -1.309 173.580 174.900 -0.018 0.000 1.295 130 G CA 1.307 46.387 45.100 -0.033 0.000 1.427 130 G HN 0.201 8.408 8.290 -0.040 0.058 0.535 131 A N -0.249 122.569 122.820 -0.003 0.000 1.535 131 A HA 0.124 4.441 4.320 -0.005 0.000 0.215 131 A C 0.053 177.644 177.584 0.011 0.000 1.813 131 A CA 0.406 52.444 52.037 0.002 0.000 1.373 131 A CB 0.874 19.877 19.000 0.005 0.000 1.304 131 A HN 0.319 8.325 8.150 0.006 0.149 0.391 132 S N 1.387 117.102 115.700 0.026 0.000 2.582 132 S HA 0.174 4.658 4.470 0.023 0.000 0.249 132 S C -0.646 173.977 174.600 0.038 0.000 1.072 132 S CA -0.456 57.764 58.200 0.034 0.000 1.115 132 S CB -0.085 63.145 63.200 0.049 0.000 0.790 132 S HN -0.113 8.217 8.310 0.033 0.000 0.459 133 T N 3.565 118.131 114.554 0.020 0.000 2.779 133 T HA 0.194 4.559 4.350 0.025 0.000 0.296 133 T C -0.570 174.128 174.700 -0.003 0.000 0.938 133 T CA -1.542 60.563 62.100 0.007 0.000 1.119 133 T CB -0.100 68.757 68.868 -0.019 0.000 0.891 133 T HN -0.469 7.682 8.240 0.010 0.095 0.526 134 P HA 0.129 4.541 4.420 -0.013 0.000 0.297 134 P C -1.417 175.856 177.300 -0.045 0.000 1.303 134 P CA -0.840 62.248 63.100 -0.019 0.000 0.753 134 P CB 0.831 32.520 31.700 -0.018 0.000 1.281 135 D N -0.433 119.935 120.400 -0.053 0.000 2.473 135 D HA 0.161 4.767 4.640 -0.056 0.000 0.226 135 D C -0.972 175.273 176.300 -0.091 0.000 1.089 135 D CA -1.003 52.962 54.000 -0.058 0.000 0.883 135 D CB 0.023 40.802 40.800 -0.035 0.000 1.029 135 D HN -0.059 8.283 8.370 -0.047 0.000 0.517 136 L N 3.471 124.613 121.223 -0.134 0.000 2.485 136 L HA -0.017 4.102 4.340 -0.367 0.000 0.275 136 L C 0.247 177.081 176.870 -0.061 0.000 1.207 136 L CA 0.569 55.276 54.840 -0.221 0.000 0.855 136 L CB 0.230 42.138 42.059 -0.251 0.000 1.114 136 L HN 0.379 8.538 8.230 -0.117 0.000 0.485 137 Q N 0.000 119.809 119.800 0.016 0.000 2.315 137 Q HA 0.000 4.420 4.340 0.058 -0.046 0.214 137 Q CA 0.000 55.856 55.803 0.089 0.000 1.022 137 Q CB 0.000 28.776 28.738 0.063 0.000 1.108 137 Q HN 0.000 8.259 8.270 -0.018 0.000 0.481