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 2duw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKENDIAGIL TSTRTIALVG ASDKPDRPSY RVMKYLLDQG YHVIPVSPKV DATA SEQUENCE AGKTLLGQQG YATLADVPEK VDMVDVFRNS EAAWGVAQEA IAIGAKTLWL DATA SEQUENCE QLGVINEQAA VLAREAGLSV VMDRCPAIEL PRLGLAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.482 4.480 0.003 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 K N 1.254 121.656 120.400 0.003 0.000 2.994 2 K HA 0.118 4.439 4.320 0.002 0.000 0.231 2 K C -0.797 175.805 176.600 0.004 0.000 1.174 2 K CA -0.602 55.687 56.287 0.003 0.000 1.221 2 K CB -1.253 31.248 32.500 0.002 0.000 1.166 2 K HN 0.100 8.352 8.250 0.003 0.000 0.453 3 E N 0.287 120.491 120.200 0.006 0.000 2.223 3 E HA -0.030 4.326 4.350 0.009 0.000 0.282 3 E C -0.194 176.412 176.600 0.009 0.000 1.046 3 E CA -0.262 56.143 56.400 0.008 0.000 0.857 3 E CB 0.172 29.879 29.700 0.011 0.000 1.055 3 E HN -0.495 7.770 8.360 0.005 0.098 0.409 4 N N 4.677 123.383 118.700 0.010 0.000 3.112 4 N HA 0.172 4.918 4.740 0.009 0.000 0.270 4 N C -1.454 174.065 175.510 0.015 0.000 1.385 4 N CA -0.238 52.818 53.050 0.010 0.000 0.986 4 N CB 0.074 38.565 38.487 0.006 0.000 1.261 4 N HN 0.367 8.753 8.380 0.009 0.000 0.495 5 D N -1.258 119.154 120.400 0.020 0.000 2.610 5 D HA 0.266 4.923 4.640 0.029 0.000 0.271 5 D C 0.814 177.138 176.300 0.040 0.000 1.174 5 D CA -0.887 53.131 54.000 0.030 0.000 0.949 5 D CB 3.712 44.531 40.800 0.032 0.000 1.430 5 D HN -0.654 7.728 8.370 0.019 0.000 0.467 6 I N -1.639 118.967 120.570 0.060 0.000 2.399 6 I HA -0.424 3.789 4.170 0.072 0.000 0.254 6 I C 0.973 177.126 176.117 0.060 0.000 1.146 6 I CA 3.430 64.777 61.300 0.080 0.000 1.412 6 I CB -0.250 37.836 38.000 0.143 0.000 1.076 6 I HN 0.574 8.822 8.210 0.064 0.000 0.432 7 A N 0.713 123.564 122.820 0.052 0.000 1.940 7 A HA -0.320 4.025 4.320 0.041 0.000 0.219 7 A C 2.040 179.640 177.584 0.026 0.000 1.176 7 A CA 2.715 54.775 52.037 0.039 0.000 0.631 7 A CB -1.008 18.012 19.000 0.035 0.000 0.814 7 A HN -0.037 8.109 8.150 0.054 0.037 0.446 8 G N -2.620 106.193 108.800 0.022 0.000 2.430 8 G HA2 -0.190 3.776 3.960 0.010 0.000 0.216 8 G HA3 -0.190 3.777 3.960 0.012 0.000 0.216 8 G C 1.357 176.263 174.900 0.010 0.000 1.146 8 G CA 1.471 46.579 45.100 0.013 0.000 0.793 8 G HN -0.119 8.073 8.290 0.026 0.114 0.537 9 I N 2.100 122.680 120.570 0.017 0.000 2.406 9 I HA -0.318 3.855 4.170 0.005 0.000 0.249 9 I C 1.469 177.590 176.117 0.008 0.000 1.122 9 I CA 3.029 64.337 61.300 0.013 0.000 1.431 9 I CB 0.176 38.191 38.000 0.024 0.000 1.087 9 I HN -0.817 7.311 8.210 0.025 0.098 0.424 10 L N -4.217 117.014 121.223 0.014 0.000 2.131 10 L HA 0.064 4.405 4.340 0.001 0.000 0.206 10 L C 1.018 177.891 176.870 0.004 0.000 1.087 10 L CA 2.638 57.482 54.840 0.007 0.000 0.767 10 L CB -0.196 41.867 42.059 0.006 0.000 0.917 10 L HN 0.145 8.285 8.230 0.023 0.104 0.441 11 T N -3.106 111.451 114.554 0.004 0.000 2.985 11 T HA -0.133 4.215 4.350 -0.003 0.000 0.266 11 T C 0.961 175.653 174.700 -0.014 0.000 1.076 11 T CA 1.906 64.005 62.100 -0.003 0.000 1.135 11 T CB 0.208 69.077 68.868 0.002 0.000 0.890 11 T HN -0.289 7.957 8.240 0.009 0.000 0.480 12 S N 0.086 115.778 115.700 -0.013 0.000 2.327 12 S HA 0.012 4.468 4.470 -0.022 0.000 0.213 12 S C -0.159 174.421 174.600 -0.033 0.000 1.032 12 S CA 2.122 60.309 58.200 -0.021 0.000 0.960 12 S CB 1.123 64.314 63.200 -0.015 0.000 0.900 12 S HN -0.556 7.726 8.310 -0.007 0.025 0.469 13 T N 3.831 118.366 114.554 -0.032 0.000 2.840 13 T HA 0.223 4.533 4.350 -0.067 0.000 0.287 13 T C -1.838 172.837 174.700 -0.042 0.000 0.991 13 T CA -0.180 61.891 62.100 -0.047 0.000 0.964 13 T CB 1.509 70.353 68.868 -0.041 0.000 0.954 13 T HN -0.391 7.837 8.240 -0.021 0.000 0.438 14 R N 5.969 126.431 120.500 -0.064 0.000 2.247 14 R HA 0.197 4.535 4.340 -0.003 0.000 0.329 14 R C -1.293 174.990 176.300 -0.029 0.000 1.014 14 R CA -0.810 55.274 56.100 -0.026 0.000 0.907 14 R CB 0.147 30.447 30.300 0.000 0.000 1.146 14 R HN 0.248 8.456 8.270 -0.104 0.000 0.499 15 T N 5.353 119.909 114.554 0.003 0.000 2.949 15 T HA 0.246 4.642 4.350 0.077 0.000 0.300 15 T C -2.242 172.475 174.700 0.027 0.000 0.988 15 T CA -0.241 61.878 62.100 0.032 0.000 0.993 15 T CB 2.351 71.227 68.868 0.013 0.000 0.984 15 T HN 0.110 8.348 8.240 -0.002 0.000 0.442 16 I N 6.388 126.986 120.570 0.047 0.000 2.354 16 I HA 0.388 4.725 4.170 -0.015 -0.176 0.292 16 I C -2.242 173.883 176.117 0.013 0.000 0.989 16 I CA -1.539 59.766 61.300 0.009 0.000 1.188 16 I CB 1.777 39.771 38.000 -0.011 0.000 1.342 16 I HN 0.702 8.970 8.210 0.097 0.000 0.457 17 A N 7.270 130.085 122.820 -0.007 0.000 2.318 17 A HA 0.550 5.008 4.320 0.002 -0.137 0.317 17 A C -2.453 175.117 177.584 -0.024 0.000 1.159 17 A CA -2.028 50.003 52.037 -0.011 0.000 0.799 17 A CB 2.695 21.682 19.000 -0.023 0.000 1.194 17 A HN 1.079 9.218 8.150 -0.019 0.000 0.479 18 L N 3.872 125.092 121.223 -0.005 0.000 2.307 18 L HA 0.508 4.832 4.340 -0.027 0.000 0.282 18 L C -1.239 175.629 176.870 -0.004 0.000 1.051 18 L CA -1.455 53.384 54.840 -0.002 0.000 0.804 18 L CB 2.755 44.830 42.059 0.026 0.000 1.197 18 L HN -0.133 7.973 8.230 0.006 0.128 0.431 19 V N 4.337 124.241 119.914 -0.017 0.000 2.398 19 V HA 0.223 4.347 4.120 0.007 0.000 0.286 19 V C 0.224 176.336 176.094 0.029 0.000 1.026 19 V CA -2.134 60.165 62.300 -0.002 0.000 0.868 19 V CB 0.110 31.919 31.823 -0.024 0.000 0.982 19 V HN -0.412 7.752 8.190 -0.044 0.000 0.443 20 G N 6.740 115.563 108.800 0.039 0.000 2.256 20 G HA2 -0.345 3.646 3.960 0.051 0.000 0.272 20 G HA3 -0.345 3.650 3.960 0.058 0.000 0.272 20 G C -1.010 173.928 174.900 0.064 0.000 1.076 20 G CA 0.205 45.337 45.100 0.053 0.000 0.882 20 G HN 0.165 8.476 8.290 0.035 0.000 0.497 21 A N -0.151 122.699 122.820 0.049 0.000 2.544 21 A HA -0.031 4.315 4.320 0.043 0.000 0.301 21 A C -1.430 176.189 177.584 0.058 0.000 1.368 21 A CA 0.187 52.245 52.037 0.035 0.000 1.045 21 A CB -0.462 18.534 19.000 -0.007 0.000 1.129 21 A HN -0.691 7.485 8.150 0.043 0.000 0.540 22 S N 2.103 117.868 115.700 0.109 0.000 2.713 22 S HA 0.140 4.669 4.470 0.099 0.000 0.296 22 S C 0.340 175.081 174.600 0.235 0.000 1.114 22 S CA -1.113 57.166 58.200 0.131 0.000 0.997 22 S CB 2.282 65.548 63.200 0.110 0.000 1.249 22 S HN -0.668 7.718 8.310 0.128 0.000 0.534 23 D N -1.754 118.759 120.400 0.188 0.000 2.881 23 D HA -0.010 4.860 4.640 0.382 0.000 0.240 23 D C -0.823 175.523 176.300 0.076 0.000 1.249 23 D CA 0.095 54.213 54.000 0.197 0.000 0.839 23 D CB -1.421 39.440 40.800 0.102 0.000 1.042 23 D HN 0.225 8.670 8.370 0.125 0.000 0.475 24 K N 0.505 120.987 120.400 0.135 0.000 2.360 24 K HA 0.340 4.633 4.320 -0.045 0.000 0.235 24 K C -1.208 175.320 176.600 -0.118 0.000 1.077 24 K CA -3.118 53.179 56.287 0.016 0.000 1.035 24 K CB 0.306 32.854 32.500 0.080 0.000 1.623 24 K HN -0.717 7.626 8.250 0.314 0.096 0.462 25 P HA -0.098 3.654 4.420 -1.113 0.000 0.234 25 P C -0.757 176.411 177.300 -0.220 0.000 1.167 25 P CA 0.993 63.681 63.100 -0.686 0.000 0.763 25 P CB 0.227 31.513 31.700 -0.689 0.000 0.835 26 D N -2.810 117.520 120.400 -0.117 0.000 2.395 26 D HA 0.103 4.712 4.640 -0.051 0.000 0.226 26 D C -0.645 175.654 176.300 -0.001 0.000 1.146 26 D CA -0.865 53.106 54.000 -0.049 0.000 0.830 26 D CB 0.007 40.782 40.800 -0.042 0.000 0.958 26 D HN 0.141 8.356 8.370 -0.120 0.083 0.501 27 R N -1.767 118.754 120.500 0.035 0.000 2.854 27 R HA 0.477 4.845 4.340 0.046 0.000 0.271 27 R C -1.591 174.762 176.300 0.088 0.000 0.994 27 R CA -3.081 53.060 56.100 0.069 0.000 0.945 27 R CB 1.951 32.310 30.300 0.099 0.000 1.194 27 R HN -0.769 7.424 8.270 0.037 0.099 0.476 28 P HA -0.066 4.348 4.420 -0.010 0.000 0.226 28 P C 0.282 177.610 177.300 0.047 0.000 1.153 28 P CA 1.910 65.022 63.100 0.020 0.000 0.777 28 P CB 0.186 31.882 31.700 -0.006 0.000 0.794 29 S N -2.618 113.171 115.700 0.149 0.000 2.453 29 S HA -0.174 4.486 4.470 0.316 0.000 0.231 29 S C 0.927 175.641 174.600 0.191 0.000 1.005 29 S CA 3.308 61.644 58.200 0.226 0.000 0.949 29 S CB -0.381 62.952 63.200 0.222 0.000 0.774 29 S HN 0.176 8.529 8.310 0.148 0.045 0.510 30 Y N 2.569 122.915 120.300 0.076 0.000 2.262 30 Y HA -0.078 4.521 4.550 0.081 0.000 0.295 30 Y C 0.346 176.280 175.900 0.057 0.000 1.121 30 Y CA 3.197 61.337 58.100 0.066 0.000 1.144 30 Y CB 0.777 39.265 38.460 0.047 0.000 1.043 30 Y HN -0.753 7.550 8.280 0.275 0.142 0.528 31 R N -0.826 119.826 120.500 0.254 0.000 2.139 31 R HA -0.401 4.063 4.340 0.205 0.000 0.243 31 R C 2.251 178.617 176.300 0.110 0.000 1.145 31 R CA 3.444 59.634 56.100 0.150 0.000 0.976 31 R CB -0.524 29.803 30.300 0.046 0.000 0.866 31 R HN -0.445 7.962 8.270 0.229 0.000 0.449 32 V N -3.561 116.387 119.914 0.057 0.000 2.591 32 V HA -0.225 3.983 4.120 0.145 0.000 0.249 32 V C 1.302 177.508 176.094 0.187 0.000 1.053 32 V CA 2.257 64.611 62.300 0.090 0.000 1.068 32 V CB -0.582 31.141 31.823 -0.166 0.000 0.689 32 V HN -0.600 7.594 8.190 0.041 0.021 0.462 33 M N 1.876 121.531 119.600 0.091 0.000 2.074 33 M HA -0.468 4.036 4.480 0.041 0.000 0.259 33 M C 1.603 177.897 176.300 -0.009 0.000 1.079 33 M CA 4.323 59.623 55.300 -0.000 0.000 1.119 33 M CB -0.260 32.234 32.600 -0.176 0.000 1.297 33 M HN -0.920 7.300 8.290 0.072 0.113 0.416 34 K N -2.372 118.024 120.400 -0.007 0.000 2.281 34 K HA -0.348 3.973 4.320 0.001 0.000 0.203 34 K C 2.236 178.890 176.600 0.090 0.000 1.046 34 K CA 2.562 58.876 56.287 0.045 0.000 0.938 34 K CB -0.500 32.077 32.500 0.127 0.000 0.737 34 K HN -0.412 7.813 8.250 -0.041 0.000 0.458 35 Y N 0.088 120.394 120.300 0.009 0.000 2.163 35 Y HA -0.287 4.272 4.550 0.016 0.000 0.288 35 Y C 1.608 177.513 175.900 0.008 0.000 1.136 35 Y CA 3.069 61.171 58.100 0.003 0.000 1.147 35 Y CB -0.308 38.136 38.460 -0.026 0.000 0.987 35 Y HN -0.748 7.534 8.280 0.224 0.132 0.509 36 L N -1.871 119.086 121.223 -0.442 0.000 2.217 36 L HA -0.378 3.431 4.340 -0.885 0.000 0.211 36 L C 1.961 178.739 176.870 -0.153 0.000 1.107 36 L CA 2.695 57.242 54.840 -0.489 0.000 0.783 36 L CB -0.298 41.600 42.059 -0.269 0.000 0.919 36 L HN -0.468 7.692 8.230 -0.116 0.000 0.442 37 L N -0.337 120.836 121.223 -0.082 0.000 2.027 37 L HA -0.356 3.977 4.340 -0.012 0.000 0.206 37 L C 2.206 179.066 176.870 -0.017 0.000 1.074 37 L CA 2.836 57.659 54.840 -0.029 0.000 0.745 37 L CB -0.081 41.963 42.059 -0.026 0.000 0.898 37 L HN -0.352 7.720 8.230 -0.079 0.111 0.433 38 D N -2.496 117.894 120.400 -0.017 0.000 2.117 38 D HA -0.253 4.392 4.640 0.008 0.000 0.198 38 D C 2.367 178.670 176.300 0.004 0.000 0.982 38 D CA 2.629 56.632 54.000 0.005 0.000 0.828 38 D CB -0.152 40.671 40.800 0.038 0.000 0.967 38 D HN -0.456 7.902 8.370 -0.022 0.000 0.464 39 Q N -3.174 116.613 119.800 -0.022 0.000 2.234 39 Q HA -0.177 4.193 4.340 0.050 0.000 0.206 39 Q C 1.048 177.084 176.000 0.060 0.000 0.980 39 Q CA 0.806 56.637 55.803 0.048 0.000 0.869 39 Q CB 0.501 29.244 28.738 0.008 0.000 0.912 39 Q HN -0.464 7.743 8.270 -0.105 0.000 0.436 40 G N -2.289 106.528 108.800 0.029 0.000 2.226 40 G HA2 -0.365 3.563 3.960 -0.054 0.000 0.176 40 G HA3 -0.365 3.502 3.960 -0.155 0.000 0.176 40 G C -1.214 173.555 174.900 -0.218 0.000 1.042 40 G CA -0.260 44.784 45.100 -0.095 0.000 0.732 40 G HN -0.563 7.601 8.290 0.046 0.154 0.494 41 Y N -1.795 118.476 120.300 -0.048 0.000 2.509 41 Y HA 0.169 4.741 4.550 0.036 0.000 0.341 41 Y C -0.970 174.969 175.900 0.065 0.000 1.038 41 Y CA -1.845 56.253 58.100 -0.003 0.000 1.089 41 Y CB 2.970 41.378 38.460 -0.086 0.000 1.241 41 Y HN -0.508 7.879 8.280 0.179 0.000 0.468 42 H N 2.998 122.114 119.070 0.077 0.000 3.160 42 H HA -0.036 4.528 4.556 0.012 0.000 0.257 42 H C -0.851 174.496 175.328 0.031 0.000 1.140 42 H CA 0.593 56.660 56.048 0.031 0.000 1.492 42 H CB -0.605 29.165 29.762 0.013 0.000 1.529 42 H HN 0.298 8.801 8.280 0.371 0.000 0.490 43 V N 5.111 125.049 119.914 0.041 0.000 2.394 43 V HA 0.220 4.516 4.120 0.039 -0.153 0.282 43 V C -0.886 175.213 176.094 0.008 0.000 1.031 43 V CA -1.562 60.751 62.300 0.021 0.000 0.881 43 V CB 1.242 33.060 31.823 -0.008 0.000 0.982 43 V HN -0.216 7.957 8.190 -0.029 0.000 0.451 44 I N 4.913 125.496 120.570 0.022 0.000 2.750 44 I HA 0.418 4.612 4.170 0.040 0.000 0.279 44 I C -2.046 174.091 176.117 0.034 0.000 1.206 44 I CA -3.103 58.216 61.300 0.033 0.000 1.101 44 I CB 1.091 39.108 38.000 0.028 0.000 1.431 44 I HN 0.579 8.803 8.210 0.024 0.000 0.551 45 P HA 0.059 4.623 4.420 0.017 -0.134 0.271 45 P C -1.717 175.621 177.300 0.063 0.000 1.226 45 P CA -0.559 62.556 63.100 0.024 0.000 0.765 45 P CB -0.031 31.661 31.700 -0.013 0.000 0.835 46 V N 5.342 125.291 119.914 0.059 0.000 2.444 46 V HA 0.254 4.522 4.120 0.136 -0.067 0.294 46 V C -1.770 174.363 176.094 0.065 0.000 1.022 46 V CA -0.462 61.891 62.300 0.089 0.000 0.850 46 V CB 2.102 33.970 31.823 0.075 0.000 0.992 46 V HN 0.820 8.920 8.190 0.037 0.112 0.426 47 S N 5.355 121.096 115.700 0.069 0.000 2.556 47 S HA 0.548 5.049 4.470 0.052 0.000 0.271 47 S C -1.802 172.828 174.600 0.051 0.000 1.135 47 S CA -3.287 54.946 58.200 0.054 0.000 0.858 47 S CB 2.200 65.429 63.200 0.049 0.000 1.114 47 S HN 0.346 8.705 8.310 0.082 0.000 0.468 48 P HA 0.035 4.479 4.420 0.041 0.000 0.234 48 P C -0.313 177.005 177.300 0.030 0.000 1.167 48 P CA 1.472 64.594 63.100 0.038 0.000 0.763 48 P CB 0.207 31.928 31.700 0.035 0.000 0.835 49 K N -3.384 117.035 120.400 0.031 0.000 2.313 49 K HA 0.090 4.422 4.320 0.020 0.000 0.197 49 K C 0.584 177.193 176.600 0.016 0.000 1.061 49 K CA 1.431 57.732 56.287 0.025 0.000 0.980 49 K CB 1.646 34.165 32.500 0.033 0.000 0.888 49 K HN -0.058 8.139 8.250 0.037 0.075 0.502 50 V N -3.187 116.737 119.914 0.017 0.000 3.573 50 V HA -0.041 4.077 4.120 -0.003 0.000 0.270 50 V C -0.441 175.633 176.094 -0.033 0.000 1.221 50 V CA -0.388 61.912 62.300 -0.001 0.000 1.163 50 V CB -0.272 31.556 31.823 0.008 0.000 0.847 50 V HN -0.839 7.280 8.190 0.028 0.088 0.468 51 A N 0.884 123.692 122.820 -0.021 0.000 2.526 51 A HA -0.127 4.112 4.320 -0.071 0.037 0.287 51 A C 0.471 178.003 177.584 -0.087 0.000 1.232 51 A CA 1.322 53.330 52.037 -0.048 0.000 0.900 51 A CB -1.491 17.507 19.000 -0.003 0.000 1.077 51 A HN -0.645 7.421 8.150 0.002 0.086 0.535 52 G N 1.377 110.076 108.800 -0.169 0.000 2.131 52 G HA2 -0.266 3.570 3.960 -0.208 0.000 0.223 52 G HA3 -0.266 3.632 3.960 -0.105 0.000 0.223 52 G C -0.691 174.142 174.900 -0.111 0.000 0.990 52 G CA -0.029 44.980 45.100 -0.151 0.000 0.671 52 G HN -0.217 7.919 8.290 -0.256 0.000 0.521 53 K N -1.350 118.986 120.400 -0.107 0.000 2.349 53 K HA 0.531 4.816 4.320 -0.059 0.000 0.243 53 K C -1.794 174.765 176.600 -0.068 0.000 1.058 53 K CA -1.894 54.353 56.287 -0.067 0.000 0.871 53 K CB 3.648 36.127 32.500 -0.035 0.000 1.337 53 K HN 0.247 8.340 8.250 -0.129 0.079 0.469 54 T N -0.650 113.880 114.554 -0.039 0.000 2.786 54 T HA 0.342 4.804 4.350 -0.043 -0.137 0.283 54 T C -0.866 173.827 174.700 -0.012 0.000 0.992 54 T CA -1.131 60.950 62.100 -0.031 0.000 0.954 54 T CB 1.100 69.952 68.868 -0.026 0.000 0.934 54 T HN 0.069 8.292 8.240 -0.028 0.000 0.440 55 L N 7.056 128.271 121.223 -0.014 0.000 2.295 55 L HA 0.361 4.711 4.340 0.016 0.000 0.281 55 L C -0.195 176.665 176.870 -0.017 0.000 1.018 55 L CA -1.392 53.444 54.840 -0.007 0.000 0.841 55 L CB 0.278 42.324 42.059 -0.022 0.000 1.218 55 L HN 0.840 8.957 8.230 -0.022 0.099 0.424 56 L N 4.643 125.869 121.223 0.006 0.000 4.040 56 L HA -0.449 3.907 4.340 0.026 0.000 0.410 56 L C -0.333 176.531 176.870 -0.010 0.000 1.187 56 L CA 0.550 55.393 54.840 0.005 0.000 0.956 56 L CB -1.707 40.344 42.059 -0.014 0.000 2.022 56 L HN 0.813 9.059 8.230 0.027 0.000 0.897 57 G N -6.766 102.027 108.800 -0.012 0.000 2.213 57 G HA2 -0.333 3.616 3.960 -0.018 0.000 0.236 57 G HA3 -0.333 3.613 3.960 -0.023 0.000 0.236 57 G C -0.701 174.181 174.900 -0.030 0.000 0.991 57 G CA -0.261 44.826 45.100 -0.021 0.000 0.629 57 G HN -0.065 8.185 8.290 -0.008 0.035 0.517 58 Q N 1.458 121.240 119.800 -0.030 0.000 2.256 58 Q HA 0.220 4.540 4.340 -0.032 0.000 0.254 58 Q C -0.242 175.750 176.000 -0.015 0.000 0.916 58 Q CA -1.867 53.921 55.803 -0.026 0.000 0.932 58 Q CB 0.325 29.047 28.738 -0.026 0.000 1.207 58 Q HN -0.142 7.907 8.270 -0.028 0.204 0.426 59 Q N 5.111 124.910 119.800 -0.002 0.000 2.330 59 Q HA -0.161 4.135 4.340 -0.073 0.000 0.279 59 Q C 0.200 176.184 176.000 -0.027 0.000 1.024 59 Q CA 0.895 56.677 55.803 -0.035 0.000 0.900 59 Q CB 0.528 29.261 28.738 -0.010 0.000 1.221 59 Q HN 0.484 8.759 8.270 0.009 0.000 0.396 60 G N 4.072 112.791 108.800 -0.136 0.000 2.451 60 G HA2 0.334 4.475 3.960 0.028 0.000 0.303 60 G HA3 0.334 4.443 3.960 -0.081 -0.198 0.303 60 G C -2.177 172.561 174.900 -0.270 0.000 1.166 60 G CA -0.497 44.548 45.100 -0.092 0.000 0.884 60 G HN 0.402 8.590 8.290 -0.171 0.000 0.514 61 Y N -1.106 119.193 120.300 -0.002 0.000 2.513 61 Y HA 0.052 4.603 4.550 0.001 0.000 0.340 61 Y C -1.379 174.523 175.900 0.003 0.000 1.055 61 Y CA -0.046 58.054 58.100 -0.000 0.000 1.020 61 Y CB 4.259 42.718 38.460 -0.002 0.000 1.301 61 Y HN -0.333 8.026 8.280 0.132 0.000 0.453 62 A N 2.336 125.252 122.820 0.159 0.000 1.969 62 A HA -0.070 4.495 4.320 0.070 -0.203 0.218 62 A C -0.619 177.021 177.584 0.093 0.000 1.169 62 A CA 2.105 54.200 52.037 0.096 0.000 0.635 62 A CB 0.871 19.913 19.000 0.069 0.000 0.810 62 A HN 0.824 9.076 8.150 0.169 0.000 0.445 63 T N -7.632 106.991 114.554 0.115 0.000 2.894 63 T HA 0.149 4.528 4.350 0.049 0.000 0.309 63 T C 0.137 174.851 174.700 0.022 0.000 1.208 63 T CA -1.496 60.639 62.100 0.059 0.000 1.016 63 T CB 3.112 72.003 68.868 0.038 0.000 1.192 63 T HN -1.004 7.322 8.240 0.176 0.020 0.491 64 L N -2.153 119.061 121.223 -0.015 0.000 2.353 64 L HA -0.113 4.170 4.340 -0.096 0.000 0.220 64 L C -0.512 176.299 176.870 -0.098 0.000 1.133 64 L CA 1.717 56.517 54.840 -0.067 0.000 0.798 64 L CB -1.024 41.004 42.059 -0.051 0.000 0.922 64 L HN 0.153 8.381 8.230 -0.003 0.000 0.445 65 A N -4.218 118.566 122.820 -0.060 0.000 2.337 65 A HA -0.017 4.260 4.320 -0.072 0.000 0.227 65 A C -0.794 176.755 177.584 -0.059 0.000 1.259 65 A CA 0.272 52.275 52.037 -0.057 0.000 0.870 65 A CB -0.284 18.699 19.000 -0.028 0.000 0.927 65 A HN -0.248 7.823 8.150 -0.031 0.061 0.497 66 D N -2.008 118.340 120.400 -0.086 0.000 2.454 66 D HA 0.025 4.671 4.640 0.010 0.000 0.219 66 D C -0.449 175.671 176.300 -0.300 0.000 1.081 66 D CA 0.082 54.064 54.000 -0.031 0.000 0.867 66 D CB 1.584 42.500 40.800 0.194 0.000 1.054 66 D HN -0.229 7.882 8.370 -0.113 0.191 0.500 67 V N 0.043 119.518 119.914 -0.733 0.000 2.530 67 V HA 0.148 3.157 4.120 -1.851 0.000 0.282 67 V C -0.900 174.943 176.094 -0.419 0.000 1.048 67 V CA -2.777 58.848 62.300 -1.125 0.000 0.997 67 V CB 2.321 33.515 31.823 -1.049 0.000 0.987 67 V HN -0.784 7.098 8.190 -0.515 0.000 0.477 68 P HA -0.039 4.332 4.420 -0.082 0.000 0.216 68 P C -0.642 176.607 177.300 -0.085 0.000 1.153 68 P CA 0.789 63.830 63.100 -0.099 0.000 0.844 68 P CB 0.385 32.074 31.700 -0.020 0.000 0.787 69 E N -0.002 120.147 120.200 -0.085 0.000 2.414 69 E HA -0.187 4.149 4.350 -0.023 0.000 0.263 69 E C -0.963 175.600 176.600 -0.062 0.000 1.000 69 E CA 0.029 56.401 56.400 -0.046 0.000 0.914 69 E CB 0.519 30.212 29.700 -0.012 0.000 0.948 69 E HN -0.176 8.123 8.360 -0.101 0.000 0.444 70 K N 3.460 123.836 120.400 -0.039 0.000 2.312 70 K HA -0.090 4.198 4.320 -0.054 0.000 0.287 70 K C -0.745 175.835 176.600 -0.033 0.000 1.062 70 K CA -0.189 56.073 56.287 -0.041 0.000 0.934 70 K CB 0.052 32.533 32.500 -0.032 0.000 1.027 70 K HN 0.087 8.321 8.250 -0.026 0.000 0.478 71 V N 4.533 124.423 119.914 -0.040 0.000 2.715 71 V HA -0.167 3.941 4.120 -0.019 0.000 0.299 71 V C -0.681 175.401 176.094 -0.021 0.000 1.054 71 V CA 0.334 62.617 62.300 -0.029 0.000 1.077 71 V CB 0.873 32.674 31.823 -0.037 0.000 0.972 71 V HN 0.352 8.511 8.190 -0.051 0.000 0.484 72 D N 3.839 124.232 120.400 -0.012 0.000 2.455 72 D HA 0.076 4.711 4.640 -0.009 0.000 0.228 72 D C -1.155 175.147 176.300 0.003 0.000 1.070 72 D CA 0.402 54.397 54.000 -0.007 0.000 0.881 72 D CB 2.930 43.724 40.800 -0.010 0.000 1.087 72 D HN 0.031 8.397 8.370 -0.008 0.000 0.498 73 M N -0.394 119.207 119.600 0.001 0.000 2.149 73 M HA 0.244 4.915 4.480 0.041 -0.167 0.273 73 M C -2.634 173.666 176.300 0.000 0.000 0.972 73 M CA 0.089 55.397 55.300 0.014 0.000 0.984 73 M CB 3.539 36.133 32.600 -0.010 0.000 1.699 73 M HN -0.429 7.858 8.290 -0.005 0.000 0.462 74 V N 9.154 129.072 119.914 0.006 0.000 2.368 74 V HA 0.049 4.254 4.120 -0.044 -0.112 0.266 74 V C -1.540 174.514 176.094 -0.067 0.000 1.045 74 V CA 0.262 62.542 62.300 -0.034 0.000 0.899 74 V CB 0.645 32.443 31.823 -0.042 0.000 1.006 74 V HN 0.386 8.592 8.190 0.026 0.000 0.470 75 D N 9.643 129.952 120.400 -0.152 0.000 2.411 75 D HA 0.218 4.773 4.640 -0.346 -0.123 0.225 75 D C -1.159 174.740 176.300 -0.668 0.000 1.156 75 D CA -0.215 53.533 54.000 -0.421 0.000 0.874 75 D CB 0.348 40.962 40.800 -0.311 0.000 1.034 75 D HN 0.744 8.941 8.370 -0.112 0.106 0.502 76 V N 3.416 122.934 119.914 -0.659 0.000 2.318 76 V HA 0.134 4.068 4.120 -0.311 0.000 0.271 76 V C -1.620 174.205 176.094 -0.449 0.000 1.030 76 V CA -0.362 61.683 62.300 -0.424 0.000 0.844 76 V CB -0.286 31.438 31.823 -0.165 0.000 1.015 76 V HN 0.743 8.626 8.190 -0.511 0.000 0.460 77 F N 4.638 124.637 119.950 0.081 0.000 2.767 77 F HA 0.162 4.736 4.527 0.077 0.000 0.323 77 F C 1.380 177.217 175.800 0.063 0.000 1.091 77 F CA -0.744 57.302 58.000 0.076 0.000 1.192 77 F CB 0.487 39.536 39.000 0.082 0.000 1.056 77 F HN 0.143 8.355 8.300 -0.147 0.000 0.571 78 R N -0.032 120.571 120.500 0.171 0.000 2.113 78 R HA -0.277 4.146 4.340 0.140 0.000 0.231 78 R C -0.235 176.131 176.300 0.110 0.000 1.129 78 R CA 2.288 58.463 56.100 0.126 0.000 0.915 78 R CB 0.279 30.627 30.300 0.081 0.000 0.837 78 R HN 0.158 8.489 8.270 0.101 0.000 0.430 79 N N -6.556 112.199 118.700 0.091 0.000 3.204 79 N HA 0.113 4.902 4.740 0.081 0.000 0.285 79 N C -0.511 175.042 175.510 0.072 0.000 1.536 79 N CA -0.293 52.803 53.050 0.077 0.000 0.832 79 N CB 2.367 40.889 38.487 0.060 0.000 1.645 79 N HN -0.660 7.769 8.380 0.080 0.000 0.586 80 S N 0.435 116.171 115.700 0.059 0.000 2.335 80 S HA -0.269 4.237 4.470 0.059 0.000 0.217 80 S C 1.712 176.349 174.600 0.063 0.000 1.032 80 S CA 2.665 60.897 58.200 0.054 0.000 0.985 80 S CB 0.097 63.320 63.200 0.038 0.000 0.896 80 S HN 0.240 8.581 8.310 0.052 0.000 0.445 81 E N 2.324 122.556 120.200 0.053 0.000 2.204 81 E HA -0.179 4.214 4.350 0.072 0.000 0.195 81 E C 1.913 178.583 176.600 0.117 0.000 0.990 81 E CA 1.938 58.377 56.400 0.065 0.000 0.821 81 E CB -0.438 29.273 29.700 0.018 0.000 0.750 81 E HN 0.474 8.857 8.360 0.039 0.000 0.477 82 A N -1.233 121.640 122.820 0.089 0.000 1.978 82 A HA -0.216 4.161 4.320 0.095 0.000 0.220 82 A C 1.518 179.157 177.584 0.091 0.000 1.170 82 A CA 2.344 54.433 52.037 0.087 0.000 0.636 82 A CB -0.983 18.054 19.000 0.061 0.000 0.810 82 A HN 0.247 8.405 8.150 0.071 0.034 0.448 83 A N -1.734 121.140 122.820 0.089 0.000 1.940 83 A HA -0.315 4.014 4.320 0.015 0.000 0.219 83 A C 1.282 178.924 177.584 0.097 0.000 1.176 83 A CA 2.913 54.988 52.037 0.063 0.000 0.631 83 A CB -0.620 18.412 19.000 0.054 0.000 0.814 83 A HN -0.234 7.830 8.150 0.088 0.138 0.446 84 W N -0.603 120.686 121.300 -0.019 0.000 2.378 84 W HA -0.297 4.352 4.660 -0.019 0.000 0.313 84 W C 1.623 178.134 176.519 -0.014 0.000 1.197 84 W CA 3.175 60.510 57.345 -0.016 0.000 1.304 84 W CB 0.199 29.652 29.460 -0.012 0.000 1.148 84 W HN -0.141 8.099 8.180 0.307 0.124 0.494 85 G N -1.678 107.286 108.800 0.274 0.000 2.440 85 G HA2 -0.420 3.638 3.960 0.162 0.000 0.218 85 G HA3 -0.420 3.641 3.960 0.168 0.000 0.218 85 G C 1.363 176.264 174.900 0.001 0.000 1.154 85 G CA 2.335 47.522 45.100 0.144 0.000 0.767 85 G HN -0.625 7.882 8.290 0.362 0.000 0.552 86 V N 1.855 121.769 119.914 -0.000 0.000 2.667 86 V HA -0.339 3.764 4.120 -0.029 0.000 0.252 86 V C 1.553 177.598 176.094 -0.082 0.000 1.065 86 V CA 3.217 65.496 62.300 -0.035 0.000 1.083 86 V CB -0.636 31.169 31.823 -0.029 0.000 0.692 86 V HN 0.113 8.326 8.190 0.038 0.000 0.468 87 A N 0.058 122.803 122.820 -0.126 0.000 1.840 87 A HA -0.258 3.985 4.320 -0.128 0.000 0.214 87 A C 1.736 179.188 177.584 -0.221 0.000 1.198 87 A CA 3.424 55.353 52.037 -0.179 0.000 0.608 87 A CB -0.713 18.145 19.000 -0.237 0.000 0.839 87 A HN -0.226 7.715 8.150 -0.112 0.141 0.443 88 Q N -2.131 117.477 119.800 -0.319 0.000 2.112 88 Q HA -0.467 3.698 4.340 -0.292 0.000 0.206 88 Q C 2.473 178.382 176.000 -0.152 0.000 0.987 88 Q CA 2.823 58.459 55.803 -0.279 0.000 0.858 88 Q CB -0.670 27.878 28.738 -0.317 0.000 0.905 88 Q HN -0.160 7.862 8.270 -0.414 0.000 0.420 89 E N -0.508 119.624 120.200 -0.113 0.000 2.051 89 E HA -0.339 3.974 4.350 -0.060 0.000 0.192 89 E C 2.199 178.757 176.600 -0.070 0.000 0.991 89 E CA 2.718 59.075 56.400 -0.071 0.000 0.799 89 E CB -0.437 29.234 29.700 -0.047 0.000 0.748 89 E HN -0.617 7.667 8.360 -0.120 0.004 0.449 90 A N -0.390 122.384 122.820 -0.078 0.000 1.858 90 A HA -0.219 4.066 4.320 -0.058 0.000 0.216 90 A C 2.592 180.135 177.584 -0.069 0.000 1.190 90 A CA 2.973 54.969 52.037 -0.068 0.000 0.617 90 A CB -0.594 18.367 19.000 -0.066 0.000 0.827 90 A HN -0.442 7.655 8.150 -0.088 0.000 0.443 91 I N -2.277 118.241 120.570 -0.087 0.000 2.454 91 I HA -0.524 3.606 4.170 -0.067 0.000 0.254 91 I C 1.873 177.949 176.117 -0.069 0.000 1.156 91 I CA 3.456 64.707 61.300 -0.081 0.000 1.433 91 I CB -0.334 37.601 38.000 -0.107 0.000 1.082 91 I HN 0.167 8.313 8.210 -0.107 0.000 0.432 92 A N -0.334 122.445 122.820 -0.070 0.000 1.854 92 A HA -0.184 4.105 4.320 -0.052 0.000 0.214 92 A C 1.618 179.175 177.584 -0.044 0.000 1.192 92 A CA 2.705 54.709 52.037 -0.054 0.000 0.611 92 A CB -0.375 18.595 19.000 -0.052 0.000 0.832 92 A HN -0.341 7.618 8.150 -0.079 0.143 0.442 93 I N -6.557 113.986 120.570 -0.046 0.000 2.546 93 I HA -0.055 4.092 4.170 -0.038 0.000 0.255 93 I C 0.782 176.875 176.117 -0.040 0.000 1.163 93 I CA 0.752 62.027 61.300 -0.042 0.000 1.457 93 I CB 0.529 38.501 38.000 -0.047 0.000 1.092 93 I HN -0.413 7.766 8.210 -0.051 0.000 0.434 94 G N -0.416 108.359 108.800 -0.041 0.000 2.629 94 G HA2 -0.280 3.658 3.960 -0.036 0.000 0.154 94 G HA3 -0.280 3.660 3.960 -0.033 0.000 0.154 94 G C -1.164 173.715 174.900 -0.035 0.000 1.077 94 G CA -0.588 44.490 45.100 -0.036 0.000 0.831 94 G HN -0.389 7.755 8.290 -0.046 0.118 0.495 95 A N -0.225 122.572 122.820 -0.038 0.000 2.281 95 A HA 0.094 4.396 4.320 -0.031 0.000 0.271 95 A C -0.889 176.681 177.584 -0.022 0.000 1.196 95 A CA -0.031 51.987 52.037 -0.032 0.000 0.807 95 A CB 0.950 19.927 19.000 -0.037 0.000 1.138 95 A HN -0.143 7.889 8.150 -0.045 0.092 0.506 96 K N -4.331 116.062 120.400 -0.012 0.000 2.567 96 K HA 0.146 4.463 4.320 -0.006 0.000 0.199 96 K C -0.402 176.208 176.600 0.016 0.000 1.412 96 K CA 1.071 57.358 56.287 -0.001 0.000 1.020 96 K CB 2.785 35.285 32.500 -0.000 0.000 1.487 96 K HN 0.090 8.335 8.250 -0.009 0.000 0.531 97 T N -0.017 114.555 114.554 0.030 0.000 2.906 97 T HA 0.415 4.918 4.350 0.071 -0.110 0.295 97 T C -2.110 172.636 174.700 0.077 0.000 1.075 97 T CA -0.758 61.386 62.100 0.073 0.000 1.005 97 T CB 3.544 72.480 68.868 0.113 0.000 1.136 97 T HN -0.437 7.814 8.240 0.019 0.000 0.498 98 L N 2.277 123.569 121.223 0.115 0.000 2.476 98 L HA 0.327 4.710 4.340 0.072 0.000 0.269 98 L C -2.878 174.085 176.870 0.156 0.000 0.965 98 L CA 0.231 55.122 54.840 0.084 0.000 0.845 98 L CB 4.197 46.254 42.059 -0.004 0.000 1.259 98 L HN 0.464 8.780 8.230 0.143 0.000 0.403 99 W N 7.093 128.345 121.300 -0.080 0.000 2.532 99 W HA 0.531 5.336 4.660 -0.012 -0.152 0.321 99 W C -2.140 174.311 176.519 -0.113 0.000 1.037 99 W CA -1.065 56.246 57.345 -0.056 0.000 1.220 99 W CB 3.952 33.400 29.460 -0.021 0.000 1.361 99 W HN 0.969 9.261 8.180 0.187 0.000 0.468 100 L N 2.446 123.600 121.223 -0.115 0.000 2.687 100 L HA 0.372 4.826 4.340 -0.053 -0.145 0.252 100 L C -1.410 175.575 176.870 0.191 0.000 1.115 100 L CA -2.027 52.798 54.840 -0.025 0.000 0.893 100 L CB 1.651 43.673 42.059 -0.060 0.000 1.670 100 L HN 0.215 8.212 8.230 -0.387 0.000 0.531 101 Q N -1.522 118.412 119.800 0.223 0.000 2.293 101 Q HA -0.129 4.541 4.340 0.550 0.000 0.251 101 Q C -0.292 175.798 176.000 0.149 0.000 0.930 101 Q CA -0.071 55.920 55.803 0.314 0.000 0.893 101 Q CB 0.848 29.733 28.738 0.245 0.000 1.215 101 Q HN 0.079 8.429 8.270 0.133 0.000 0.425 102 L N 5.810 127.114 121.223 0.136 0.000 2.367 102 L HA -0.169 4.152 4.340 0.043 0.044 0.275 102 L C 0.472 177.364 176.870 0.037 0.000 1.129 102 L CA 1.254 56.135 54.840 0.067 0.000 0.839 102 L CB 0.395 42.496 42.059 0.070 0.000 1.133 102 L HN -0.220 8.105 8.230 0.159 0.000 0.453 103 G N 4.268 113.079 108.800 0.018 0.000 2.213 103 G HA2 -0.333 3.688 3.960 0.006 0.000 0.226 103 G HA3 -0.333 3.636 3.960 0.014 0.000 0.226 103 G C -1.125 173.781 174.900 0.010 0.000 0.992 103 G CA -0.345 44.762 45.100 0.012 0.000 0.632 103 G HN 0.104 8.604 8.290 0.008 -0.205 0.511 104 V N 1.333 121.256 119.914 0.014 0.000 2.732 104 V HA 0.139 4.266 4.120 0.011 0.000 0.310 104 V C -1.998 174.095 176.094 -0.002 0.000 1.053 104 V CA -1.067 61.240 62.300 0.013 0.000 0.957 104 V CB 2.241 34.081 31.823 0.029 0.000 1.018 104 V HN -0.892 7.234 8.190 0.020 0.076 0.452 105 I N 1.176 121.745 120.570 -0.001 0.000 2.468 105 I HA 0.162 4.321 4.170 -0.018 0.000 0.285 105 I C -1.683 174.436 176.117 0.003 0.000 1.039 105 I CA -0.775 60.521 61.300 -0.007 0.000 1.074 105 I CB 1.808 39.802 38.000 -0.009 0.000 1.228 105 I HN -0.020 8.192 8.210 0.004 0.000 0.436 106 N N 8.154 126.858 118.700 0.008 0.000 2.623 106 N HA 0.152 4.907 4.740 0.026 0.000 0.256 106 N C -0.179 175.357 175.510 0.042 0.000 1.045 106 N CA -1.066 52.003 53.050 0.031 0.000 0.863 106 N CB 0.969 39.489 38.487 0.056 0.000 1.182 106 N HN 0.275 8.652 8.380 -0.004 0.000 0.523 107 E N 5.872 126.094 120.200 0.036 0.000 2.204 107 E HA -0.371 3.997 4.350 0.030 0.000 0.194 107 E C 1.194 177.849 176.600 0.092 0.000 0.989 107 E CA 2.857 59.283 56.400 0.043 0.000 0.824 107 E CB 0.063 29.779 29.700 0.026 0.000 0.756 107 E HN 0.659 9.034 8.360 0.024 0.000 0.477 108 Q N -1.143 118.736 119.800 0.131 0.000 2.046 108 Q HA -0.247 4.252 4.340 0.265 0.000 0.200 108 Q C 2.179 178.454 176.000 0.460 0.000 0.975 108 Q CA 2.812 58.786 55.803 0.285 0.000 0.836 108 Q CB -0.370 28.453 28.738 0.142 0.000 0.896 108 Q HN -0.337 8.089 8.270 0.088 -0.103 0.428 109 A N -1.724 121.306 122.820 0.350 0.000 2.014 109 A HA -0.241 4.181 4.320 0.170 0.000 0.218 109 A C 1.363 178.973 177.584 0.043 0.000 1.163 109 A CA 2.299 54.454 52.037 0.197 0.000 0.652 109 A CB -0.739 18.353 19.000 0.153 0.000 0.808 109 A HN -0.640 7.903 8.150 0.268 -0.233 0.449 110 A N -0.911 121.938 122.820 0.049 0.000 1.855 110 A HA -0.279 4.024 4.320 -0.028 0.000 0.215 110 A C 1.687 179.269 177.584 -0.004 0.000 1.191 110 A CA 2.990 55.028 52.037 0.001 0.000 0.613 110 A CB -0.536 18.463 19.000 -0.001 0.000 0.829 110 A HN -0.476 7.604 8.150 0.082 0.119 0.442 111 V N -0.495 119.437 119.914 0.029 0.000 2.548 111 V HA -0.217 3.905 4.120 0.003 0.000 0.249 111 V C 1.316 177.401 176.094 -0.015 0.000 1.055 111 V CA 2.549 64.861 62.300 0.020 0.000 1.065 111 V CB -0.283 31.572 31.823 0.054 0.000 0.681 111 V HN -0.449 7.780 8.190 0.065 0.000 0.462 112 L N -0.857 120.340 121.223 -0.043 0.000 2.189 112 L HA -0.288 3.938 4.340 -0.190 0.000 0.214 112 L C 0.136 176.889 176.870 -0.195 0.000 1.097 112 L CA 2.819 57.526 54.840 -0.220 0.000 0.764 112 L CB -0.527 41.185 42.059 -0.579 0.000 0.900 112 L HN -0.325 7.902 8.230 0.025 0.018 0.436 113 A N -3.337 119.405 122.820 -0.130 0.000 1.943 113 A HA -0.168 4.076 4.320 -0.126 0.000 0.213 113 A C 1.446 178.989 177.584 -0.069 0.000 1.181 113 A CA 1.925 53.899 52.037 -0.104 0.000 0.653 113 A CB 0.155 19.105 19.000 -0.084 0.000 0.833 113 A HN -0.809 7.247 8.150 -0.100 0.034 0.451 114 R N -1.017 119.453 120.500 -0.050 0.000 2.117 114 R HA -0.371 3.951 4.340 -0.030 0.000 0.243 114 R C 2.529 178.810 176.300 -0.032 0.000 1.143 114 R CA 3.283 59.364 56.100 -0.032 0.000 0.968 114 R CB -0.149 30.140 30.300 -0.020 0.000 0.863 114 R HN -0.675 7.485 8.270 -0.048 0.081 0.444 115 E N -2.403 117.773 120.200 -0.040 0.000 2.219 115 E HA -0.244 4.092 4.350 -0.023 0.000 0.198 115 E C 1.163 177.740 176.600 -0.038 0.000 0.998 115 E CA 2.452 58.830 56.400 -0.036 0.000 0.818 115 E CB -0.331 29.342 29.700 -0.045 0.000 0.741 115 E HN -0.462 7.852 8.360 -0.048 0.016 0.477 116 A N -4.347 118.444 122.820 -0.048 0.000 2.167 116 A HA 0.158 4.456 4.320 -0.037 0.000 0.208 116 A C 0.451 178.015 177.584 -0.034 0.000 1.198 116 A CA 0.253 52.264 52.037 -0.043 0.000 0.863 116 A CB 1.560 20.526 19.000 -0.057 0.000 0.904 116 A HN -0.187 7.773 8.150 -0.058 0.155 0.484 117 G N -2.516 106.264 108.800 -0.033 0.000 2.201 117 G HA2 -0.286 3.662 3.960 -0.020 0.000 0.212 117 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.212 117 G C -0.457 174.429 174.900 -0.022 0.000 0.994 117 G CA -0.247 44.839 45.100 -0.023 0.000 0.644 117 G HN 0.005 8.067 8.290 -0.038 0.205 0.508 118 L N -0.168 121.037 121.223 -0.031 0.000 2.529 118 L HA -0.277 4.053 4.340 -0.017 0.000 0.287 118 L C -0.090 176.770 176.870 -0.018 0.000 1.241 118 L CA 1.055 55.880 54.840 -0.026 0.000 0.857 118 L CB 0.708 42.742 42.059 -0.041 0.000 1.113 118 L HN -0.581 7.559 8.230 -0.040 0.066 0.504 119 S N 3.544 119.245 115.700 0.001 0.000 2.485 119 S HA 0.019 4.489 4.470 0.000 0.000 0.312 119 S C -1.466 173.135 174.600 0.002 0.000 1.102 119 S CA 0.105 58.312 58.200 0.012 0.000 1.066 119 S CB -0.075 63.154 63.200 0.048 0.000 1.102 119 S HN -0.131 8.184 8.310 0.008 0.000 0.519 120 V N 7.418 127.310 119.914 -0.036 0.000 2.465 120 V HA 0.045 4.129 4.120 -0.061 0.000 0.279 120 V C -1.228 174.782 176.094 -0.141 0.000 1.045 120 V CA -0.551 61.705 62.300 -0.072 0.000 0.938 120 V CB 1.529 33.309 31.823 -0.071 0.000 0.986 120 V HN -0.295 7.874 8.190 -0.036 0.000 0.467 121 V N 9.798 129.559 119.914 -0.255 0.000 2.419 121 V HA 0.391 4.290 4.120 -0.369 0.000 0.287 121 V C -1.517 174.249 176.094 -0.547 0.000 1.017 121 V CA -1.331 60.664 62.300 -0.508 0.000 0.844 121 V CB 0.916 32.108 31.823 -1.051 0.000 1.011 121 V HN 0.656 8.720 8.190 -0.211 0.000 0.429 122 M N 4.538 123.934 119.600 -0.340 0.000 2.613 122 M HA 0.304 4.636 4.480 -0.247 0.000 0.301 122 M C -0.986 175.186 176.300 -0.213 0.000 1.205 122 M CA -0.805 54.352 55.300 -0.237 0.000 0.950 122 M CB 2.471 34.999 32.600 -0.120 0.000 1.585 122 M HN 0.239 8.369 8.290 -0.268 0.000 0.490 123 D N -2.033 118.296 120.400 -0.119 0.000 2.708 123 D HA -0.413 4.421 4.640 -0.025 -0.209 0.236 123 D C -1.828 174.427 176.300 -0.075 0.000 1.146 123 D CA 1.723 55.683 54.000 -0.066 0.000 0.662 123 D CB -0.796 39.973 40.800 -0.052 0.000 1.059 123 D HN 0.026 8.346 8.370 -0.084 0.000 0.428 124 R N -2.856 117.579 120.500 -0.109 0.000 2.566 124 R HA 0.205 4.593 4.340 0.079 0.000 0.271 124 R C -2.104 174.389 176.300 0.321 0.000 1.071 124 R CA -1.254 54.841 56.100 -0.007 0.000 0.915 124 R CB 3.452 33.603 30.300 -0.247 0.000 1.228 124 R HN -0.634 7.540 8.270 -0.142 0.011 0.449 125 C N 1.076 120.672 119.300 0.494 0.000 2.634 125 C HA 0.533 5.498 4.460 0.843 0.000 0.313 125 C C -1.393 173.827 174.990 0.383 0.000 1.198 125 C CA -3.582 55.753 59.018 0.529 0.000 1.605 125 C CB 2.797 30.620 27.740 0.140 0.000 2.196 125 C HN 0.391 8.820 8.230 0.333 0.000 0.486 126 P HA 0.020 4.497 4.420 -0.146 -0.145 0.221 126 P C 0.322 177.661 177.300 0.065 0.000 1.150 126 P CA 2.175 65.263 63.100 -0.021 0.000 0.800 126 P CB 0.210 31.869 31.700 -0.069 0.000 0.787 127 A N -1.560 121.213 122.820 -0.080 0.000 1.940 127 A HA -0.151 3.665 4.320 -0.841 0.000 0.219 127 A C 1.321 178.802 177.584 -0.172 0.000 1.176 127 A CA 2.598 54.390 52.037 -0.409 0.000 0.631 127 A CB -0.717 17.962 19.000 -0.535 0.000 0.814 127 A HN 0.354 8.426 8.150 -0.089 0.024 0.446 128 I N -4.102 116.435 120.570 -0.056 0.000 3.645 128 I HA -0.056 4.096 4.170 -0.029 0.000 0.300 128 I C 1.359 177.503 176.117 0.044 0.000 1.260 128 I CA 1.289 62.585 61.300 -0.006 0.000 1.365 128 I CB 0.528 38.535 38.000 0.010 0.000 1.077 128 I HN -0.763 7.420 8.210 -0.025 0.013 0.439 129 E N 0.438 120.682 120.200 0.073 0.000 2.216 129 E HA -0.235 4.180 4.350 0.108 0.000 0.192 129 E C 1.714 178.337 176.600 0.039 0.000 0.988 129 E CA 2.596 59.046 56.400 0.084 0.000 0.834 129 E CB 0.460 30.222 29.700 0.104 0.000 0.772 129 E HN -0.569 7.728 8.360 0.075 0.108 0.479 130 L N -0.358 120.888 121.223 0.039 0.000 1.988 130 L HA -0.012 4.341 4.340 0.021 0.000 0.207 130 L C -0.851 176.056 176.870 0.063 0.000 1.071 130 L CA 4.441 59.314 54.840 0.054 0.000 0.744 130 L CB -2.096 40.043 42.059 0.134 0.000 0.893 130 L HN -0.255 7.979 8.230 0.051 0.026 0.433 131 P HA -0.066 4.385 4.420 0.052 0.000 0.234 131 P C 0.666 177.989 177.300 0.038 0.000 1.167 131 P CA 1.443 64.570 63.100 0.046 0.000 0.763 131 P CB -1.068 30.650 31.700 0.030 0.000 0.835 132 R N -2.575 117.951 120.500 0.042 0.000 2.170 132 R HA -0.223 4.140 4.340 0.038 0.000 0.242 132 R C 0.546 176.869 176.300 0.039 0.000 1.145 132 R CA 2.551 58.677 56.100 0.043 0.000 0.984 132 R CB -0.918 29.416 30.300 0.056 0.000 0.869 132 R HN -0.344 7.761 8.270 0.046 0.193 0.455 133 L N -3.375 117.872 121.223 0.040 0.000 2.537 133 L HA 0.194 4.554 4.340 0.033 0.000 0.224 133 L C 0.502 177.392 176.870 0.033 0.000 1.065 133 L CA 0.038 54.899 54.840 0.036 0.000 0.860 133 L CB 1.428 43.509 42.059 0.038 0.000 1.086 133 L HN -0.732 7.493 8.230 0.044 0.031 0.482 134 G N -1.458 107.364 108.800 0.037 0.000 2.181 134 G HA2 -0.263 3.718 3.960 0.034 0.000 0.152 134 G HA3 -0.263 3.715 3.960 0.029 0.000 0.152 134 G C -0.093 174.831 174.900 0.039 0.000 1.026 134 G CA -0.055 45.066 45.100 0.034 0.000 0.699 134 G HN -0.561 7.665 8.290 0.042 0.089 0.497 135 L N -0.665 120.588 121.223 0.050 0.000 2.928 135 L HA 0.160 4.526 4.340 0.044 0.000 0.246 135 L C -0.708 176.206 176.870 0.073 0.000 1.239 135 L CA -0.714 54.159 54.840 0.056 0.000 1.035 135 L CB 0.364 42.459 42.059 0.061 0.000 1.360 135 L HN -0.713 7.549 8.230 0.054 0.000 0.529 136 A N -1.199 121.664 122.820 0.073 0.000 2.320 136 A HA 0.029 4.421 4.320 0.119 0.000 0.287 136 A C -0.288 177.340 177.584 0.074 0.000 1.181 136 A CA -0.659 51.433 52.037 0.092 0.000 0.831 136 A CB 0.244 19.299 19.000 0.091 0.000 1.102 136 A HN -0.583 7.518 8.150 0.060 0.084 0.513 137 K N 0.000 120.449 120.400 0.081 0.000 2.780 137 K HA 0.000 4.348 4.320 0.046 0.000 0.191 137 K CA 0.000 56.323 56.287 0.059 0.000 0.838 137 K CB 0.000 32.532 32.500 0.053 0.000 1.064 137 K HN 0.000 8.473 8.250 0.102 -0.162 0.543