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 2kb3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSDNNGTPEP QVETXSVFRA DLLKEMESST GTAPASTGAE NLPAGSALLV DATA SEQUENCE VKRGPNAGAR FLLDQPTTTA GRHPESDIFL DDVTVSRRHA EFRINEGEFE DATA SEQUENCE VVDVGSLNGT YVNREPRNAQ VMQTGDEIQI GKFRLVFLAG PAE 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 4.476 4.480 -0.007 0.000 0.227 1 M C 0.000 176.294 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 S N -0.110 115.583 115.700 -0.011 0.000 3.050 2 S HA 0.048 4.509 4.470 -0.014 0.000 0.261 2 S C -1.243 173.349 174.600 -0.014 0.000 1.057 2 S CA 0.310 58.502 58.200 -0.013 0.000 1.012 2 S CB 0.568 63.760 63.200 -0.013 0.000 0.919 2 S HN 0.175 8.479 8.310 -0.010 0.000 0.429 3 D N 0.589 120.982 120.400 -0.012 0.000 2.377 3 D HA -0.064 4.567 4.640 -0.016 0.000 0.245 3 D C -0.687 175.608 176.300 -0.008 0.000 1.196 3 D CA -0.374 53.619 54.000 -0.012 0.000 0.962 3 D CB 1.109 41.903 40.800 -0.010 0.000 1.127 3 D HN -0.354 8.009 8.370 -0.010 0.000 0.471 4 N N -0.726 117.970 118.700 -0.007 0.000 2.416 4 N HA -0.139 4.602 4.740 0.000 0.000 0.265 4 N C -0.380 175.132 175.510 0.004 0.000 1.195 4 N CA 0.289 53.339 53.050 0.000 0.000 0.943 4 N CB -0.205 38.284 38.487 0.004 0.000 1.115 4 N HN 0.099 8.473 8.380 -0.010 0.000 0.481 5 N N 3.747 122.450 118.700 0.005 0.000 2.400 5 N HA -0.258 4.485 4.740 0.005 0.000 0.267 5 N C -0.101 175.416 175.510 0.011 0.000 1.208 5 N CA 0.728 53.782 53.050 0.006 0.000 0.951 5 N CB 0.061 38.551 38.487 0.004 0.000 1.227 5 N HN 0.267 8.649 8.380 0.004 0.000 0.488 6 G N 3.473 112.281 108.800 0.013 0.000 2.373 6 G HA2 -0.153 3.816 3.960 0.015 0.000 0.250 6 G HA3 -0.153 3.819 3.960 0.021 0.000 0.250 6 G C -2.212 172.700 174.900 0.019 0.000 1.304 6 G CA -0.230 44.880 45.100 0.017 0.000 0.948 6 G HN -0.192 8.104 8.290 0.010 0.000 0.474 7 T N 2.545 117.115 114.554 0.026 0.000 2.864 7 T HA 0.446 4.809 4.350 0.022 0.000 0.310 7 T C -2.420 172.307 174.700 0.045 0.000 1.040 7 T CA -2.598 59.520 62.100 0.029 0.000 0.977 7 T CB 1.021 69.905 68.868 0.027 0.000 0.976 7 T HN -0.105 8.153 8.240 0.030 0.000 0.459 8 P HA 0.169 4.635 4.420 0.077 0.000 0.276 8 P C -0.979 176.363 177.300 0.070 0.000 1.235 8 P CA -0.541 62.588 63.100 0.049 0.000 0.772 8 P CB 0.822 32.526 31.700 0.007 0.000 0.871 9 E N 4.624 124.912 120.200 0.146 0.000 2.257 9 E HA 0.225 4.637 4.350 0.104 0.000 0.278 9 E C -1.661 175.022 176.600 0.138 0.000 1.049 9 E CA -2.401 54.102 56.400 0.172 0.000 0.876 9 E CB 0.280 30.138 29.700 0.263 0.000 1.035 9 E HN 0.215 8.705 8.360 0.217 0.000 0.419 10 P HA -0.012 4.423 4.420 0.025 0.000 0.271 10 P C -1.210 176.130 177.300 0.067 0.000 1.216 10 P CA -0.009 63.119 63.100 0.048 0.000 0.771 10 P CB 0.436 32.155 31.700 0.031 0.000 0.864 11 Q N 1.753 121.583 119.800 0.051 0.000 2.356 11 Q HA 0.305 4.693 4.340 0.081 0.000 0.270 11 Q C -0.993 175.030 176.000 0.039 0.000 1.058 11 Q CA -0.661 55.181 55.803 0.066 0.000 0.802 11 Q CB 2.892 31.685 28.738 0.091 0.000 1.303 11 Q HN 0.283 8.567 8.270 0.024 0.000 0.444 12 V N 4.785 124.723 119.914 0.039 0.000 2.384 12 V HA 0.357 4.488 4.120 0.019 0.000 0.287 12 V C -1.089 175.023 176.094 0.030 0.000 1.020 12 V CA -0.275 62.041 62.300 0.026 0.000 0.850 12 V CB 0.754 32.590 31.823 0.020 0.000 0.987 12 V HN 0.335 8.553 8.190 0.048 0.000 0.436 13 E N 6.202 126.415 120.200 0.022 0.000 2.407 13 E HA 0.215 4.579 4.350 0.023 0.000 0.279 13 E C -1.526 175.079 176.600 0.008 0.000 1.012 13 E CA -0.542 55.872 56.400 0.022 0.000 0.800 13 E CB 2.415 32.137 29.700 0.036 0.000 1.276 13 E HN 0.110 8.479 8.360 0.015 0.000 0.452 17 V N 4.173 123.924 119.914 -0.272 0.000 2.488 17 V HA -0.088 4.093 4.120 -0.086 -0.113 0.277 17 V C -0.560 175.417 176.094 -0.196 0.000 1.046 17 V CA 0.150 62.355 62.300 -0.160 0.000 0.986 17 V CB 0.359 32.145 31.823 -0.062 0.000 0.989 17 V HN 0.189 8.256 8.190 -0.205 0.000 0.475 18 F N 8.665 128.595 119.950 -0.033 0.000 2.427 18 F HA 0.031 4.547 4.527 -0.018 0.000 0.352 18 F C 0.401 176.195 175.800 -0.010 0.000 1.100 18 F CA 0.688 58.674 58.000 -0.022 0.000 1.191 18 F CB 0.767 39.752 39.000 -0.026 0.000 1.128 18 F HN 0.077 8.541 8.300 0.274 0.000 0.533 19 R N 5.219 125.815 120.500 0.161 0.000 2.335 19 R HA 0.187 4.591 4.340 0.107 0.000 0.302 19 R C -1.473 174.907 176.300 0.133 0.000 1.147 19 R CA -0.730 55.436 56.100 0.110 0.000 1.111 19 R CB -0.137 30.193 30.300 0.051 0.000 1.122 19 R HN 0.359 8.705 8.270 0.127 0.000 0.557 20 A N 3.373 126.280 122.820 0.145 0.000 2.322 20 A HA 0.312 4.713 4.320 0.134 0.000 0.327 20 A C -0.377 177.254 177.584 0.077 0.000 1.134 20 A CA -0.904 51.208 52.037 0.125 0.000 0.831 20 A CB 1.699 20.769 19.000 0.117 0.000 1.288 20 A HN 0.025 8.259 8.150 0.140 0.000 0.472 21 D N -0.655 119.779 120.400 0.057 0.000 2.360 21 D HA 0.032 4.694 4.640 0.036 0.000 0.210 21 D C 1.273 177.583 176.300 0.017 0.000 1.047 21 D CA 0.563 54.584 54.000 0.036 0.000 0.854 21 D CB 0.310 41.128 40.800 0.031 0.000 0.936 21 D HN 0.359 8.766 8.370 0.062 0.000 0.514 22 L N -2.356 118.874 121.223 0.012 0.000 2.349 22 L HA -0.197 4.130 4.340 -0.021 0.000 0.220 22 L C 0.612 177.449 176.870 -0.056 0.000 1.130 22 L CA 2.220 57.047 54.840 -0.022 0.000 0.791 22 L CB -1.527 40.511 42.059 -0.036 0.000 0.918 22 L HN -0.156 8.024 8.230 0.027 0.065 0.444 23 L N -4.852 116.354 121.223 -0.028 0.000 2.201 23 L HA -0.236 4.014 4.340 -0.149 0.000 0.212 23 L C 1.917 178.754 176.870 -0.055 0.000 1.105 23 L CA 2.538 57.345 54.840 -0.055 0.000 0.775 23 L CB -1.309 40.765 42.059 0.025 0.000 0.913 23 L HN -0.623 7.559 8.230 0.013 0.056 0.440 24 K N 0.023 120.406 120.400 -0.029 0.000 2.103 24 K HA -0.358 3.949 4.320 -0.022 0.000 0.204 24 K C 1.786 178.365 176.600 -0.035 0.000 1.052 24 K CA 3.369 59.642 56.287 -0.023 0.000 0.945 24 K CB -0.223 32.272 32.500 -0.008 0.000 0.722 24 K HN 0.320 8.418 8.250 -0.016 0.143 0.443 25 E N -0.337 119.839 120.200 -0.040 0.000 2.106 25 E HA -0.282 4.051 4.350 -0.029 0.000 0.192 25 E C 2.228 178.788 176.600 -0.067 0.000 0.984 25 E CA 2.685 59.059 56.400 -0.042 0.000 0.806 25 E CB -0.267 29.413 29.700 -0.034 0.000 0.750 25 E HN -0.597 7.661 8.360 -0.035 0.081 0.458 26 M N -0.218 119.316 119.600 -0.109 0.000 2.117 26 M HA -0.349 4.044 4.480 -0.144 0.000 0.262 26 M C 1.571 177.810 176.300 -0.101 0.000 1.065 26 M CA 3.020 58.229 55.300 -0.151 0.000 1.114 26 M CB 0.031 32.464 32.600 -0.279 0.000 1.361 26 M HN 0.035 8.181 8.290 -0.115 0.075 0.408 27 E N -1.532 118.621 120.200 -0.077 0.000 2.150 27 E HA -0.264 4.056 4.350 -0.050 0.000 0.193 27 E C 2.934 179.512 176.600 -0.036 0.000 0.985 27 E CA 2.386 58.757 56.400 -0.049 0.000 0.814 27 E CB -0.136 29.543 29.700 -0.035 0.000 0.752 27 E HN -0.328 7.906 8.360 -0.079 0.079 0.466 28 S N -1.811 113.868 115.700 -0.034 0.000 2.474 28 S HA -0.142 4.317 4.470 -0.019 0.000 0.235 28 S C 0.603 175.188 174.600 -0.025 0.000 0.997 28 S CA 2.369 60.554 58.200 -0.024 0.000 0.949 28 S CB -0.281 62.907 63.200 -0.020 0.000 0.766 28 S HN 0.031 8.228 8.310 -0.039 0.089 0.517 29 S N -1.181 114.498 115.700 -0.035 0.000 2.501 29 S HA 0.022 4.478 4.470 -0.023 0.000 0.220 29 S C -0.287 174.296 174.600 -0.029 0.000 0.997 29 S CA 0.251 58.432 58.200 -0.032 0.000 0.919 29 S CB 0.403 63.578 63.200 -0.043 0.000 0.778 29 S HN -0.738 7.374 8.310 -0.046 0.171 0.523 30 T N 5.113 119.649 114.554 -0.031 0.000 2.792 30 T HA -0.161 4.173 4.350 -0.026 0.000 0.286 30 T C 0.050 174.740 174.700 -0.016 0.000 0.970 30 T CA 2.899 64.985 62.100 -0.025 0.000 1.187 30 T CB -0.062 68.791 68.868 -0.025 0.000 0.915 30 T HN -0.578 7.462 8.240 -0.036 0.179 0.529 31 G N 6.663 115.455 108.800 -0.013 0.000 4.103 31 G HA2 0.089 4.044 3.960 -0.008 0.000 0.123 31 G HA3 0.089 4.043 3.960 -0.009 0.000 0.123 31 G C -1.339 173.557 174.900 -0.007 0.000 1.189 31 G CA 0.273 45.367 45.100 -0.009 0.000 1.111 31 G HN 0.065 8.347 8.290 -0.014 0.000 0.399 32 T N 2.244 116.794 114.554 -0.007 0.000 2.885 32 T HA 0.234 4.582 4.350 -0.004 0.000 0.285 32 T C -1.714 172.983 174.700 -0.004 0.000 1.019 32 T CA -1.106 60.991 62.100 -0.004 0.000 1.010 32 T CB 0.984 69.850 68.868 -0.004 0.000 1.022 32 T HN 0.063 8.298 8.240 -0.008 0.000 0.466 33 A N 5.272 128.091 122.820 -0.001 0.000 2.311 33 A HA 0.560 4.880 4.320 0.000 0.000 0.306 33 A C -2.080 175.507 177.584 0.005 0.000 1.189 33 A CA -2.020 50.018 52.037 0.002 0.000 0.791 33 A CB 0.113 19.115 19.000 0.003 0.000 1.172 33 A HN 0.196 8.345 8.150 -0.000 0.000 0.481 34 P HA -0.022 4.399 4.420 0.003 0.000 0.268 34 P C -1.823 175.483 177.300 0.011 0.000 1.205 34 P CA 0.143 63.246 63.100 0.006 0.000 0.771 34 P CB 0.772 32.476 31.700 0.006 0.000 0.858 35 A N 2.965 125.790 122.820 0.008 0.000 2.359 35 A HA 0.222 4.553 4.320 0.019 0.000 0.303 35 A C -1.590 175.998 177.584 0.008 0.000 1.066 35 A CA -0.457 51.587 52.037 0.012 0.000 0.730 35 A CB 2.152 21.159 19.000 0.012 0.000 1.211 35 A HN 0.053 8.205 8.150 0.004 0.000 0.439 36 S N 2.634 118.340 115.700 0.011 0.000 2.548 36 S HA 0.427 4.896 4.470 -0.001 0.000 0.286 36 S C -1.816 172.790 174.600 0.011 0.000 1.098 36 S CA -0.805 57.396 58.200 0.002 0.000 0.930 36 S CB 2.910 66.102 63.200 -0.014 0.000 1.070 36 S HN 0.070 8.392 8.310 0.020 0.000 0.480 37 T N -0.866 113.692 114.554 0.007 0.000 2.907 37 T HA 0.152 4.517 4.350 0.024 0.000 0.292 37 T C 0.071 174.777 174.700 0.010 0.000 1.043 37 T CA -1.438 60.671 62.100 0.015 0.000 1.003 37 T CB 1.910 70.787 68.868 0.015 0.000 1.084 37 T HN -0.097 8.143 8.240 0.000 0.000 0.483 38 G N 3.001 111.813 108.800 0.021 0.000 2.147 38 G HA2 -0.227 3.979 3.960 0.023 0.000 0.128 38 G HA3 -0.227 3.737 3.960 0.007 0.000 0.128 38 G C -0.586 174.330 174.900 0.027 0.000 1.026 38 G CA 0.201 45.312 45.100 0.019 0.000 0.693 38 G HN -0.008 8.402 8.290 0.031 -0.103 0.499 39 A N -0.509 122.341 122.820 0.049 0.000 1.970 39 A HA -0.185 4.163 4.320 0.047 0.000 0.216 39 A C 0.971 178.628 177.584 0.121 0.000 1.170 39 A CA 1.838 53.926 52.037 0.084 0.000 0.645 39 A CB -0.438 18.639 19.000 0.128 0.000 0.816 39 A HN 0.154 8.336 8.150 0.052 0.000 0.447 40 E N -3.714 116.543 120.200 0.095 0.000 2.502 40 E HA -0.159 4.260 4.350 0.115 0.000 0.194 40 E C -0.008 176.632 176.600 0.067 0.000 1.062 40 E CA 0.978 57.431 56.400 0.089 0.000 0.867 40 E CB -1.201 28.540 29.700 0.068 0.000 0.888 40 E HN 0.419 8.805 8.360 0.076 0.021 0.510 41 N N -1.070 117.664 118.700 0.057 0.000 2.300 41 N HA -0.151 4.610 4.740 0.035 0.000 0.179 41 N C -0.470 175.068 175.510 0.047 0.000 1.016 41 N CA 0.329 53.403 53.050 0.040 0.000 0.876 41 N CB 0.457 38.960 38.487 0.026 0.000 0.979 41 N HN -0.802 7.406 8.380 0.057 0.206 0.432 42 L N -1.151 120.111 121.223 0.066 0.000 3.177 42 L HA -0.266 4.137 4.340 0.106 0.000 0.640 42 L C -1.647 175.252 176.870 0.049 0.000 1.018 42 L CA -0.784 54.105 54.840 0.081 0.000 1.288 42 L CB -1.322 40.793 42.059 0.094 0.000 1.594 42 L HN -0.580 7.693 8.230 0.072 0.000 0.796 43 P HA -0.156 4.269 4.420 0.009 0.000 0.212 43 P C -0.434 176.879 177.300 0.021 0.000 1.178 43 P CA 1.607 64.715 63.100 0.013 0.000 0.915 43 P CB 0.566 32.261 31.700 -0.009 0.000 0.788 44 A N -4.338 118.500 122.820 0.030 0.000 2.589 44 A HA 0.134 4.470 4.320 0.027 0.000 0.283 44 A C -0.326 177.292 177.584 0.056 0.000 1.187 44 A CA -0.247 51.810 52.037 0.034 0.000 0.957 44 A CB 0.361 19.376 19.000 0.024 0.000 1.175 44 A HN -0.145 8.024 8.150 0.031 0.000 0.532 45 G N -1.455 107.393 108.800 0.081 0.000 2.143 45 G HA2 -0.291 3.742 3.960 0.120 0.000 0.248 45 G HA3 -0.291 3.713 3.960 0.072 0.000 0.248 45 G C -0.981 174.032 174.900 0.188 0.000 0.991 45 G CA 0.146 45.311 45.100 0.110 0.000 0.689 45 G HN 0.073 8.237 8.290 0.076 0.172 0.522 46 S N -2.042 113.782 115.700 0.206 0.000 2.661 46 S HA 0.442 5.188 4.470 0.460 0.000 0.285 46 S C -2.320 172.354 174.600 0.124 0.000 1.138 46 S CA -1.435 56.921 58.200 0.261 0.000 0.855 46 S CB 2.440 65.720 63.200 0.133 0.000 1.136 46 S HN -0.709 7.648 8.310 0.137 0.035 0.484 47 A N 0.122 122.931 122.820 -0.018 0.000 2.606 47 A HA 0.934 5.073 4.320 -0.397 -0.057 0.293 47 A C -2.823 174.548 177.584 -0.354 0.000 1.082 47 A CA -0.528 51.246 52.037 -0.438 0.000 0.685 47 A CB 3.065 21.411 19.000 -1.090 0.000 1.284 47 A HN -0.177 8.049 8.150 0.126 0.000 0.408 48 L N -4.401 116.527 121.223 -0.491 0.000 2.359 48 L HA 0.938 5.284 4.340 -0.120 -0.078 0.256 48 L C -2.195 174.507 176.870 -0.280 0.000 1.026 48 L CA -1.201 53.485 54.840 -0.256 0.000 0.828 48 L CB 4.008 45.976 42.059 -0.151 0.000 1.406 48 L HN 0.714 8.514 8.230 -0.715 0.000 0.413 49 L N -4.686 116.507 121.223 -0.050 0.000 2.385 49 L HA 1.009 5.517 4.340 -0.031 -0.187 0.273 49 L C -2.253 174.665 176.870 0.080 0.000 0.990 49 L CA -2.157 52.703 54.840 0.035 0.000 0.821 49 L CB 3.214 45.338 42.059 0.110 0.000 1.279 49 L HN 0.894 9.141 8.230 0.028 0.000 0.412 50 V N 2.844 122.788 119.914 0.050 0.000 2.483 50 V HA 0.585 4.874 4.120 0.034 -0.149 0.295 50 V C -1.461 174.693 176.094 0.099 0.000 1.035 50 V CA -2.847 59.478 62.300 0.042 0.000 0.896 50 V CB 3.708 35.521 31.823 -0.018 0.000 0.986 50 V HN 0.827 9.036 8.190 0.031 0.000 0.447 51 V N 9.247 129.235 119.914 0.123 0.000 2.427 51 V HA -0.020 4.325 4.120 0.191 -0.111 0.268 51 V C -0.287 175.860 176.094 0.089 0.000 1.046 51 V CA 0.425 62.816 62.300 0.151 0.000 0.970 51 V CB -1.312 30.616 31.823 0.174 0.000 1.001 51 V HN 0.933 9.178 8.190 0.091 0.000 0.476 52 K N 10.449 130.907 120.400 0.097 0.000 2.242 52 K HA 0.053 4.397 4.320 0.040 0.000 0.200 52 K C -0.853 175.784 176.600 0.062 0.000 1.050 52 K CA 0.062 56.386 56.287 0.063 0.000 0.981 52 K CB 1.267 33.802 32.500 0.058 0.000 0.795 52 K HN 0.557 8.886 8.250 0.132 0.000 0.477 53 R N -3.339 117.220 120.500 0.097 0.000 2.604 53 R HA 0.196 4.563 4.340 0.045 0.000 0.270 53 R C -2.025 174.341 176.300 0.111 0.000 1.052 53 R CA -0.653 55.499 56.100 0.087 0.000 0.902 53 R CB 3.320 33.678 30.300 0.096 0.000 1.233 53 R HN -0.536 7.819 8.270 0.141 0.000 0.455 54 G N 3.278 112.062 108.800 -0.026 0.000 2.362 54 G HA2 -0.116 3.611 3.960 -0.388 0.000 0.288 54 G HA3 -0.116 3.539 3.960 -0.509 0.000 0.288 54 G C -1.828 172.879 174.900 -0.321 0.000 1.305 54 G CA -0.095 44.801 45.100 -0.339 0.000 0.910 54 G HN -0.077 8.197 8.290 -0.026 0.000 0.518 55 P HA -0.034 4.286 4.420 -0.166 0.000 0.214 55 P C -0.781 176.454 177.300 -0.108 0.000 1.162 55 P CA 1.652 64.609 63.100 -0.238 0.000 0.874 55 P CB 0.178 31.722 31.700 -0.261 0.000 0.784 56 N N -2.616 116.036 118.700 -0.079 0.000 2.322 56 N HA -0.020 4.747 4.740 0.045 0.000 0.216 56 N C -0.975 174.558 175.510 0.039 0.000 1.144 56 N CA -2.295 50.784 53.050 0.049 0.000 0.830 56 N CB -1.401 37.214 38.487 0.214 0.000 1.034 56 N HN 0.120 8.401 8.380 -0.165 0.000 0.484 57 A N -0.663 122.150 122.820 -0.011 0.000 2.567 57 A HA -0.381 4.080 4.320 0.031 -0.123 0.240 57 A C 0.485 178.066 177.584 -0.005 0.000 1.053 57 A CA 1.422 53.461 52.037 0.003 0.000 0.755 57 A CB -0.256 18.740 19.000 -0.008 0.000 0.978 57 A HN -0.698 7.311 8.150 -0.051 0.111 0.507 58 G N 3.433 112.227 108.800 -0.009 0.000 2.232 58 G HA2 -0.369 3.574 3.960 -0.029 0.000 0.226 58 G HA3 -0.369 3.571 3.960 -0.034 0.000 0.226 58 G C -1.022 173.831 174.900 -0.078 0.000 0.996 58 G CA -0.431 44.648 45.100 -0.035 0.000 0.626 58 G HN 0.718 8.901 8.290 0.009 0.112 0.509 59 A N 2.202 124.958 122.820 -0.108 0.000 2.304 59 A HA 0.291 4.459 4.320 -0.254 0.000 0.301 59 A C -1.893 175.483 177.584 -0.348 0.000 1.132 59 A CA -0.904 50.967 52.037 -0.277 0.000 0.819 59 A CB 1.480 20.245 19.000 -0.391 0.000 1.094 59 A HN -0.264 7.776 8.150 -0.052 0.078 0.492 60 R N 0.356 120.591 120.500 -0.441 0.000 2.599 60 R HA 0.822 5.217 4.340 -0.175 -0.160 0.295 60 R C -1.427 174.602 176.300 -0.451 0.000 0.963 60 R CA -1.354 54.559 56.100 -0.312 0.000 0.883 60 R CB 2.209 32.414 30.300 -0.158 0.000 1.171 60 R HN 0.006 8.016 8.270 -0.432 0.000 0.450 61 F N 2.223 122.172 119.950 -0.002 0.000 2.508 61 F HA 0.345 4.882 4.527 0.016 0.000 0.325 61 F C -1.383 174.409 175.800 -0.012 0.000 1.090 61 F CA -1.519 56.488 58.000 0.011 0.000 0.945 61 F CB 3.424 42.449 39.000 0.042 0.000 1.156 61 F HN 0.848 9.239 8.300 0.152 0.000 0.463 62 L N -1.544 119.780 121.223 0.168 0.000 2.334 62 L HA 0.636 5.099 4.340 0.046 -0.096 0.276 62 L C -1.160 175.787 176.870 0.127 0.000 1.014 62 L CA -1.335 53.559 54.840 0.089 0.000 0.815 62 L CB 1.819 43.901 42.059 0.039 0.000 1.268 62 L HN 0.116 8.462 8.230 0.193 0.000 0.428 63 L N 0.615 121.918 121.223 0.132 0.000 2.282 63 L HA 0.188 4.633 4.340 0.176 0.000 0.287 63 L C -0.563 176.431 176.870 0.206 0.000 1.075 63 L CA 0.083 55.042 54.840 0.199 0.000 0.839 63 L CB -0.612 41.630 42.059 0.306 0.000 1.219 63 L HN 0.897 9.183 8.230 0.092 0.000 0.434 64 D N 4.044 124.535 120.400 0.152 0.000 2.433 64 D HA 0.126 4.845 4.640 0.131 0.000 0.211 64 D C -0.832 175.528 176.300 0.100 0.000 1.114 64 D CA 0.265 54.337 54.000 0.120 0.000 0.837 64 D CB 1.440 42.294 40.800 0.090 0.000 0.984 64 D HN 0.385 8.840 8.370 0.141 0.000 0.505 65 Q N -1.578 118.289 119.800 0.111 0.000 2.257 65 Q HA 0.469 4.849 4.340 0.066 0.000 0.262 65 Q C -1.826 174.222 176.000 0.080 0.000 0.997 65 Q CA -3.311 52.544 55.803 0.086 0.000 0.873 65 Q CB -0.015 28.776 28.738 0.088 0.000 1.312 65 Q HN -0.424 7.866 8.270 0.138 0.063 0.450 66 P HA -0.045 4.368 4.420 -0.012 0.000 0.225 66 P C -1.107 176.219 177.300 0.043 0.000 1.148 66 P CA 1.116 64.228 63.100 0.020 0.000 0.779 66 P CB 0.454 32.158 31.700 0.007 0.000 0.780 67 T N -2.089 112.508 114.554 0.073 0.000 3.011 67 T HA 0.363 4.907 4.350 0.094 -0.137 0.303 67 T C -1.375 173.401 174.700 0.127 0.000 0.997 67 T CA -0.947 61.205 62.100 0.088 0.000 1.007 67 T CB 3.155 72.057 68.868 0.057 0.000 1.017 67 T HN -0.646 7.590 8.240 0.076 0.050 0.443 68 T N 8.861 123.524 114.554 0.182 0.000 2.833 68 T HA 0.365 4.824 4.350 0.183 0.000 0.297 68 T C -1.205 173.622 174.700 0.212 0.000 1.015 68 T CA -0.622 61.616 62.100 0.230 0.000 0.963 68 T CB 1.937 71.004 68.868 0.332 0.000 0.955 68 T HN 1.076 9.331 8.240 0.201 0.106 0.449 69 T N 9.572 124.216 114.554 0.149 0.000 2.837 69 T HA 0.127 4.469 4.350 -0.013 0.000 0.285 69 T C -2.114 172.649 174.700 0.105 0.000 0.984 69 T CA 0.453 62.597 62.100 0.074 0.000 1.049 69 T CB 1.154 70.067 68.868 0.074 0.000 0.947 69 T HN 0.701 9.035 8.240 0.157 0.000 0.472 70 A N 4.857 127.688 122.820 0.019 0.000 2.355 70 A HA 1.067 5.694 4.320 0.115 -0.239 0.317 70 A C -1.363 176.244 177.584 0.038 0.000 1.094 70 A CA -2.259 49.815 52.037 0.063 0.000 0.764 70 A CB 3.031 22.088 19.000 0.096 0.000 1.230 70 A HN 0.793 8.885 8.150 -0.098 0.000 0.448 71 G N 2.245 111.084 108.800 0.064 0.000 2.293 71 G HA2 -0.133 3.839 3.960 0.021 0.000 0.282 71 G HA3 -0.133 3.866 3.960 0.065 0.000 0.282 71 G C -2.672 172.276 174.900 0.079 0.000 1.299 71 G CA -0.027 45.103 45.100 0.050 0.000 1.018 71 G HN 0.106 8.436 8.290 0.067 0.000 0.478 72 R N 3.284 123.848 120.500 0.106 0.000 2.202 72 R HA 0.288 4.861 4.340 0.389 0.000 0.334 72 R C -1.771 174.712 176.300 0.305 0.000 1.036 72 R CA -1.048 55.199 56.100 0.244 0.000 0.878 72 R CB 0.490 30.908 30.300 0.196 0.000 1.067 72 R HN 0.488 8.697 8.270 0.075 0.105 0.457 73 H N 6.955 126.140 119.070 0.192 0.000 3.140 73 H HA 0.418 5.028 4.556 0.092 0.000 0.336 73 H C -1.244 174.148 175.328 0.108 0.000 1.142 73 H CA -0.980 55.138 56.048 0.118 0.000 1.308 73 H CB 4.212 34.029 29.762 0.091 0.000 1.970 73 H HN -0.220 8.310 8.280 0.416 0.000 0.521 74 P HA -0.061 4.290 4.420 -0.116 0.000 0.220 74 P C -0.674 176.478 177.300 -0.246 0.000 1.148 74 P CA 1.689 64.661 63.100 -0.214 0.000 0.803 74 P CB 0.336 31.914 31.700 -0.204 0.000 0.782 75 E N -3.054 116.850 120.200 -0.493 0.000 2.499 75 E HA 0.179 4.462 4.350 -0.112 0.000 0.199 75 E C -0.971 175.677 176.600 0.081 0.000 1.016 75 E CA -1.429 54.846 56.400 -0.209 0.000 0.933 75 E CB -0.496 29.080 29.700 -0.206 0.000 1.050 75 E HN -0.019 7.620 8.360 -1.145 0.034 0.462 76 S N -0.172 115.632 115.700 0.174 0.000 2.505 76 S HA -0.044 4.604 4.470 0.296 0.000 0.276 76 S C -0.048 174.648 174.600 0.160 0.000 1.274 76 S CA 0.114 58.469 58.200 0.258 0.000 1.053 76 S CB 0.627 64.006 63.200 0.298 0.000 0.919 76 S HN -0.602 7.591 8.310 0.089 0.171 0.490 77 D N 3.971 124.455 120.400 0.139 0.000 2.194 77 D HA -0.049 4.641 4.640 0.083 0.000 0.204 77 D C 0.421 176.739 176.300 0.029 0.000 0.964 77 D CA 2.217 56.274 54.000 0.096 0.000 0.846 77 D CB 0.768 41.636 40.800 0.114 0.000 0.962 77 D HN -0.051 8.416 8.370 0.161 0.000 0.490 78 I N 1.051 121.648 120.570 0.045 0.000 2.347 78 I HA 0.107 4.064 4.170 -0.355 0.000 0.283 78 I C -2.130 173.993 176.117 0.009 0.000 1.058 78 I CA -2.102 59.145 61.300 -0.089 0.000 1.202 78 I CB -1.338 36.680 38.000 0.031 0.000 1.386 78 I HN -0.334 7.929 8.210 0.118 0.018 0.475 79 F N 9.511 129.357 119.950 -0.173 0.000 2.411 79 F HA 0.331 5.030 4.527 0.009 -0.166 0.355 79 F C -1.472 174.307 175.800 -0.035 0.000 1.117 79 F CA -1.403 56.564 58.000 -0.055 0.000 1.139 79 F CB 1.214 40.195 39.000 -0.032 0.000 1.120 79 F HN 0.024 8.288 8.300 -0.060 0.000 0.493 80 L N 7.323 128.202 121.223 -0.574 0.000 2.381 80 L HA 0.245 4.419 4.340 -0.276 0.000 0.268 80 L C -1.578 174.952 176.870 -0.566 0.000 0.997 80 L CA -2.139 52.491 54.840 -0.349 0.000 0.818 80 L CB 4.108 46.240 42.059 0.122 0.000 1.310 80 L HN -0.029 7.835 8.230 -0.610 0.000 0.416 81 D N 2.438 122.596 120.400 -0.404 0.000 2.316 81 D HA 0.053 4.478 4.640 -0.360 0.000 0.245 81 D C -0.690 175.617 176.300 0.012 0.000 1.171 81 D CA 0.523 54.372 54.000 -0.252 0.000 0.856 81 D CB 0.424 41.140 40.800 -0.140 0.000 1.090 81 D HN 0.064 8.207 8.370 -0.378 0.000 0.476 82 D N 3.961 124.382 120.400 0.034 0.000 2.451 82 D HA 0.028 4.797 4.640 0.215 0.000 0.259 82 D C 0.321 176.688 176.300 0.113 0.000 1.201 82 D CA -1.277 52.784 54.000 0.102 0.000 1.028 82 D CB 2.366 43.171 40.800 0.008 0.000 1.095 82 D HN -0.165 8.175 8.370 -0.050 0.000 0.539 83 V N -1.229 118.756 119.914 0.119 0.000 2.649 83 V HA -0.106 4.099 4.120 0.143 0.000 0.248 83 V C 0.315 176.551 176.094 0.237 0.000 1.054 83 V CA 1.130 63.541 62.300 0.185 0.000 1.073 83 V CB 0.612 32.563 31.823 0.214 0.000 0.699 83 V HN 0.131 8.347 8.190 0.043 0.000 0.463 84 T N -0.836 113.896 114.554 0.297 0.000 2.819 84 T HA 0.292 4.710 4.350 0.113 0.000 0.271 84 T C -1.327 173.436 174.700 0.105 0.000 0.986 84 T CA -2.212 59.992 62.100 0.173 0.000 0.989 84 T CB 2.062 71.003 68.868 0.123 0.000 1.396 84 T HN -0.238 8.648 8.240 0.339 -0.443 0.597 85 V N 2.858 122.812 119.914 0.067 0.000 2.304 85 V HA 0.098 4.254 4.120 0.060 0.000 0.269 85 V C -1.043 175.078 176.094 0.045 0.000 1.036 85 V CA -0.566 61.769 62.300 0.059 0.000 0.840 85 V CB -0.224 31.636 31.823 0.063 0.000 1.036 85 V HN 0.445 8.663 8.190 0.046 0.000 0.466 86 S N 7.217 122.935 115.700 0.029 0.000 2.411 86 S HA 0.260 4.738 4.470 0.013 0.000 0.304 86 S C 0.648 175.273 174.600 0.041 0.000 1.098 86 S CA -0.354 57.852 58.200 0.011 0.000 1.068 86 S CB 0.175 63.336 63.200 -0.065 0.000 1.032 86 S HN 0.286 8.608 8.310 0.020 0.000 0.511 87 R N 2.654 123.179 120.500 0.042 0.000 2.120 87 R HA -0.181 4.471 4.340 0.098 -0.253 0.234 87 R C -0.442 175.854 176.300 -0.006 0.000 1.123 87 R CA 1.733 57.864 56.100 0.051 0.000 0.975 87 R CB 0.355 30.680 30.300 0.042 0.000 0.866 87 R HN -0.276 8.014 8.270 0.032 0.000 0.446 88 R N -2.186 118.308 120.500 -0.011 0.000 2.713 88 R HA 0.261 4.550 4.340 -0.084 0.000 0.282 88 R C -2.158 174.162 176.300 0.032 0.000 1.472 88 R CA -0.719 55.355 56.100 -0.043 0.000 1.060 88 R CB -0.186 30.067 30.300 -0.078 0.000 1.237 88 R HN -0.592 7.660 8.270 0.012 0.025 0.484 89 H N 3.398 122.408 119.070 -0.101 0.000 2.379 89 H HA 0.029 4.530 4.556 -0.092 0.000 0.308 89 H C -1.498 173.731 175.328 -0.165 0.000 1.047 89 H CA 1.314 57.296 56.048 -0.111 0.000 1.371 89 H CB 3.112 32.814 29.762 -0.100 0.000 1.449 89 H HN -0.405 7.914 8.280 0.066 0.000 0.564 90 A N -4.167 118.503 122.820 -0.250 0.000 2.612 90 A HA 0.656 4.888 4.320 -0.376 -0.138 0.293 90 A C -2.852 174.455 177.584 -0.463 0.000 1.075 90 A CA -0.776 50.997 52.037 -0.440 0.000 0.680 90 A CB 3.549 22.161 19.000 -0.647 0.000 1.279 90 A HN -0.501 7.562 8.150 -0.145 0.000 0.411 91 E N -1.335 118.557 120.200 -0.514 0.000 2.314 91 E HA 0.880 5.074 4.350 -0.444 -0.110 0.272 91 E C -1.740 174.566 176.600 -0.489 0.000 0.884 91 E CA -2.207 53.935 56.400 -0.429 0.000 0.753 91 E CB 3.510 33.099 29.700 -0.185 0.000 1.213 91 E HN 0.653 8.731 8.360 -0.469 0.000 0.432 92 F N 1.732 121.673 119.950 -0.014 0.000 2.388 92 F HA 0.721 5.419 4.527 -0.027 -0.187 0.358 92 F C -0.303 175.517 175.800 0.033 0.000 1.122 92 F CA -1.574 56.429 58.000 0.005 0.000 1.056 92 F CB 1.353 40.377 39.000 0.040 0.000 1.155 92 F HN 1.080 9.268 8.300 -0.006 0.108 0.461 93 R N 2.912 123.505 120.500 0.155 0.000 2.338 93 R HA 0.444 4.945 4.340 0.081 -0.112 0.317 93 R C -1.264 175.059 176.300 0.039 0.000 0.968 93 R CA -0.925 55.220 56.100 0.075 0.000 0.849 93 R CB 2.233 32.543 30.300 0.017 0.000 1.128 93 R HN 1.053 9.403 8.270 0.133 0.000 0.448 94 I N 4.471 125.026 120.570 -0.024 0.000 2.328 94 I HA 0.504 4.676 4.170 -0.315 -0.191 0.287 94 I C -0.917 175.102 176.117 -0.163 0.000 1.012 94 I CA -1.266 59.912 61.300 -0.204 0.000 1.195 94 I CB 0.264 38.104 38.000 -0.267 0.000 1.350 94 I HN 0.683 8.790 8.210 0.006 0.107 0.464 95 N N 8.144 126.742 118.700 -0.170 0.000 2.448 95 N HA 0.132 4.818 4.740 -0.089 0.000 0.279 95 N C -0.452 174.989 175.510 -0.115 0.000 1.025 95 N CA -1.220 51.766 53.050 -0.107 0.000 0.898 95 N CB 1.559 40.009 38.487 -0.061 0.000 1.303 95 N HN 0.804 8.960 8.380 -0.207 0.100 0.495 96 E N 4.484 124.626 120.200 -0.096 0.000 2.440 96 E HA -0.342 3.972 4.350 -0.061 0.000 0.246 96 E C -0.290 176.255 176.600 -0.092 0.000 1.165 96 E CA 0.661 57.017 56.400 -0.073 0.000 0.726 96 E CB -2.220 27.454 29.700 -0.043 0.000 1.271 96 E HN 0.773 9.082 8.360 -0.085 0.000 0.397 97 G N -5.673 103.025 108.800 -0.170 0.000 2.176 97 G HA2 -0.415 3.387 3.960 -0.263 0.000 0.253 97 G HA3 -0.415 3.496 3.960 -0.081 0.000 0.253 97 G C -1.016 173.723 174.900 -0.269 0.000 0.979 97 G CA -0.036 44.944 45.100 -0.199 0.000 0.641 97 G HN 0.036 8.181 8.290 -0.202 0.024 0.530 98 E N 0.661 120.715 120.200 -0.243 0.000 2.204 98 E HA 0.191 4.577 4.350 0.060 0.000 0.276 98 E C -1.821 174.638 176.600 -0.236 0.000 0.974 98 E CA -1.244 55.090 56.400 -0.110 0.000 0.815 98 E CB 1.889 31.584 29.700 -0.007 0.000 1.119 98 E HN -0.290 7.747 8.360 -0.202 0.203 0.393 99 F N 1.970 121.959 119.950 0.065 0.000 2.426 99 F HA 0.554 5.268 4.527 0.060 -0.151 0.348 99 F C -0.781 175.017 175.800 -0.004 0.000 1.124 99 F CA -1.212 56.814 58.000 0.045 0.000 1.008 99 F CB 1.777 40.810 39.000 0.056 0.000 1.139 99 F HN 0.597 9.148 8.300 0.420 0.000 0.452 100 E N 1.705 121.989 120.200 0.139 0.000 2.212 100 E HA 0.928 5.471 4.350 0.056 -0.159 0.268 100 E C -1.181 175.458 176.600 0.065 0.000 0.902 100 E CA -2.475 53.965 56.400 0.068 0.000 0.779 100 E CB 3.673 33.386 29.700 0.022 0.000 1.172 100 E HN 1.034 9.468 8.360 0.123 0.000 0.409 101 V N 3.293 123.212 119.914 0.009 0.000 2.394 101 V HA 0.404 4.605 4.120 -0.119 -0.152 0.282 101 V C -1.229 174.780 176.094 -0.142 0.000 1.031 101 V CA -1.089 61.160 62.300 -0.085 0.000 0.881 101 V CB 1.288 33.054 31.823 -0.095 0.000 0.982 101 V HN 0.978 9.048 8.190 -0.002 0.119 0.451 102 V N 8.076 127.870 119.914 -0.199 0.000 2.384 102 V HA 0.356 4.523 4.120 -0.140 -0.131 0.287 102 V C -1.716 174.236 176.094 -0.237 0.000 1.020 102 V CA -2.415 59.781 62.300 -0.173 0.000 0.850 102 V CB 1.374 33.122 31.823 -0.125 0.000 0.987 102 V HN 1.066 9.103 8.190 -0.255 0.000 0.436 103 D N 8.255 128.527 120.400 -0.213 0.000 2.295 103 D HA 0.137 4.700 4.640 -0.318 -0.113 0.248 103 D C 0.050 176.254 176.300 -0.161 0.000 1.154 103 D CA -0.302 53.556 54.000 -0.237 0.000 0.857 103 D CB 0.853 41.515 40.800 -0.230 0.000 1.117 103 D HN 0.531 8.682 8.370 -0.172 0.115 0.468 104 V N 2.961 122.785 119.914 -0.149 0.000 3.276 104 V HA 0.504 4.574 4.120 -0.083 0.000 0.319 104 V C -0.553 175.516 176.094 -0.042 0.000 1.427 104 V CA -1.495 60.749 62.300 -0.092 0.000 1.102 104 V CB 0.521 32.283 31.823 -0.100 0.000 1.020 104 V HN 0.203 8.174 8.190 -0.189 0.105 0.456 105 G N 0.315 109.111 108.800 -0.008 0.000 2.639 105 G HA2 0.197 4.186 3.960 0.047 0.000 0.201 105 G HA3 0.197 4.334 3.960 0.233 -0.036 0.201 105 G C -0.698 174.241 174.900 0.066 0.000 1.260 105 G CA -0.088 45.063 45.100 0.086 0.000 0.749 105 G HN -0.538 7.893 8.290 -0.059 -0.176 0.611 106 S N -0.278 115.465 115.700 0.071 0.000 3.146 106 S HA -0.369 4.091 4.470 -0.016 0.000 0.285 106 S C 1.154 175.783 174.600 0.049 0.000 1.293 106 S CA 1.576 59.785 58.200 0.015 0.000 1.137 106 S CB -0.818 62.362 63.200 -0.034 0.000 1.357 106 S HN 0.308 9.090 8.310 0.056 -0.439 0.678 107 L N -5.674 115.607 121.223 0.096 0.000 2.027 107 L HA -0.173 4.217 4.340 0.083 0.000 0.206 107 L C 0.828 177.837 176.870 0.232 0.000 1.074 107 L CA 2.779 57.687 54.840 0.113 0.000 0.745 107 L CB -1.063 41.047 42.059 0.085 0.000 0.898 107 L HN -0.064 8.159 8.230 0.144 0.094 0.433 108 N N -1.654 117.099 118.700 0.087 0.000 2.392 108 N HA -0.109 4.686 4.740 0.091 0.000 0.177 108 N C -0.335 175.145 175.510 -0.051 0.000 1.066 108 N CA 0.438 53.442 53.050 -0.077 0.000 0.895 108 N CB 1.512 39.697 38.487 -0.504 0.000 0.988 108 N HN -0.481 7.882 8.380 -0.028 0.000 0.457 109 G N -1.458 107.312 108.800 -0.050 0.000 2.897 109 G HA2 -0.233 3.595 3.960 -0.220 0.000 0.436 109 G HA3 -0.233 3.517 3.960 -0.350 0.000 0.436 109 G C -1.345 173.312 174.900 -0.405 0.000 1.079 109 G CA -0.172 44.771 45.100 -0.261 0.000 1.090 109 G HN -0.174 8.050 8.290 0.037 0.089 0.480 110 T N 3.319 117.715 114.554 -0.263 0.000 2.814 110 T HA -0.007 4.274 4.350 -0.115 0.000 0.297 110 T C -0.463 174.021 174.700 -0.359 0.000 0.956 110 T CA 0.863 62.808 62.100 -0.259 0.000 1.123 110 T CB 0.659 69.313 68.868 -0.357 0.000 0.902 110 T HN -0.437 7.690 8.240 -0.188 0.000 0.528 111 Y N 6.287 126.539 120.300 -0.080 0.000 2.335 111 Y HA 0.337 4.960 4.550 -0.054 -0.106 0.338 111 Y C -0.915 174.949 175.900 -0.060 0.000 0.977 111 Y CA -1.279 56.785 58.100 -0.061 0.000 1.114 111 Y CB 1.655 40.086 38.460 -0.048 0.000 1.182 111 Y HN 0.104 8.451 8.280 0.112 0.000 0.463 112 V N 1.416 121.377 119.914 0.078 0.000 2.540 112 V HA 0.289 4.537 4.120 0.054 -0.096 0.302 112 V C 0.236 176.362 176.094 0.053 0.000 1.035 112 V CA -1.241 61.084 62.300 0.042 0.000 0.873 112 V CB 2.902 34.717 31.823 -0.012 0.000 0.992 112 V HN 1.039 9.180 8.190 0.065 0.088 0.428 113 N N 7.416 126.146 118.700 0.050 0.000 2.735 113 N HA -0.439 4.346 4.740 0.045 -0.017 0.248 113 N C -0.353 175.187 175.510 0.050 0.000 1.083 113 N CA 1.462 54.540 53.050 0.045 0.000 0.703 113 N CB -0.649 37.860 38.487 0.036 0.000 1.005 113 N HN 0.776 9.426 8.380 0.048 -0.241 0.550 114 R N -8.773 111.763 120.500 0.060 0.000 4.016 114 R HA -0.356 3.989 4.340 0.009 0.000 0.385 114 R C -1.123 175.243 176.300 0.111 0.000 1.158 114 R CA 2.043 58.164 56.100 0.035 0.000 1.117 114 R CB -1.818 28.471 30.300 -0.018 0.000 1.635 114 R HN -0.003 8.292 8.270 0.067 0.016 0.560 115 E N -1.547 118.761 120.200 0.180 0.000 2.288 115 E HA 0.439 4.978 4.350 0.316 0.000 0.268 115 E C -2.332 174.376 176.600 0.180 0.000 0.885 115 E CA -3.421 53.111 56.400 0.221 0.000 0.767 115 E CB 2.196 31.955 29.700 0.099 0.000 1.220 115 E HN -0.542 7.716 8.360 0.135 0.183 0.427 116 P HA 0.452 4.934 4.420 -0.396 -0.300 0.266 116 P C -0.726 176.513 177.300 -0.102 0.000 1.215 116 P CA -0.085 62.901 63.100 -0.190 0.000 0.763 116 P CB 0.031 31.602 31.700 -0.215 0.000 0.806 117 R N 4.431 124.856 120.500 -0.124 0.000 2.548 117 R HA 0.213 4.511 4.340 -0.070 0.000 0.280 117 R C -1.700 174.531 176.300 -0.115 0.000 1.061 117 R CA -1.203 54.844 56.100 -0.088 0.000 0.915 117 R CB 2.500 32.767 30.300 -0.055 0.000 1.210 117 R HN 0.022 8.186 8.270 -0.177 0.000 0.442 118 N N 2.317 120.959 118.700 -0.096 0.000 2.409 118 N HA -0.067 4.763 4.740 -0.125 -0.165 0.174 118 N C -1.227 174.223 175.510 -0.100 0.000 1.037 118 N CA 1.139 54.128 53.050 -0.102 0.000 0.898 118 N CB 1.167 39.606 38.487 -0.079 0.000 1.010 118 N HN 0.322 8.656 8.380 -0.076 0.000 0.445 119 A N -2.920 119.852 122.820 -0.079 0.000 2.455 119 A HA 0.810 5.301 4.320 -0.087 -0.223 0.300 119 A C -1.639 175.913 177.584 -0.053 0.000 1.040 119 A CA -0.974 51.021 52.037 -0.069 0.000 0.697 119 A CB 2.348 21.316 19.000 -0.053 0.000 1.265 119 A HN -0.707 7.402 8.150 -0.068 0.000 0.407 120 Q N 2.217 121.989 119.800 -0.048 0.000 2.345 120 Q HA 0.329 4.656 4.340 -0.022 0.000 0.275 120 Q C -1.805 174.188 176.000 -0.012 0.000 1.063 120 Q CA -1.398 54.387 55.803 -0.030 0.000 0.819 120 Q CB 4.045 32.761 28.738 -0.038 0.000 1.356 120 Q HN 0.834 8.974 8.270 -0.055 0.097 0.418 121 V N 6.387 126.303 119.914 0.003 0.000 2.383 121 V HA 0.144 4.285 4.120 0.035 0.000 0.275 121 V C -0.295 175.814 176.094 0.024 0.000 1.036 121 V CA -0.532 61.784 62.300 0.026 0.000 0.889 121 V CB 0.204 32.047 31.823 0.034 0.000 0.985 121 V HN 0.378 8.570 8.190 0.002 0.000 0.459 122 M N 7.132 126.747 119.600 0.026 0.000 2.274 122 M HA 0.177 4.618 4.480 -0.065 0.000 0.344 122 M C -0.896 175.465 176.300 0.101 0.000 1.161 122 M CA 0.166 55.440 55.300 -0.044 0.000 1.126 122 M CB 0.770 33.142 32.600 -0.379 0.000 1.522 122 M HN 0.497 8.825 8.290 0.065 0.000 0.461 123 Q N -1.276 118.607 119.800 0.137 0.000 2.433 123 Q HA 0.257 4.703 4.340 0.176 0.000 0.279 123 Q C -1.292 174.866 176.000 0.263 0.000 1.105 123 Q CA -2.421 53.488 55.803 0.176 0.000 0.815 123 Q CB 2.540 31.339 28.738 0.103 0.000 1.403 123 Q HN -0.049 8.279 8.270 0.097 0.000 0.435 124 T N 1.184 115.821 114.554 0.140 0.000 2.870 124 T HA -0.344 4.106 4.350 -0.002 -0.102 0.300 124 T C 0.846 175.572 174.700 0.044 0.000 0.989 124 T CA 1.316 63.431 62.100 0.025 0.000 1.139 124 T CB 0.157 68.976 68.868 -0.082 0.000 0.920 124 T HN 0.290 8.591 8.240 0.102 0.000 0.537 125 G N 7.999 116.821 108.800 0.036 0.000 2.176 125 G HA2 -0.438 3.529 3.960 0.013 0.000 0.232 125 G HA3 -0.438 3.537 3.960 0.026 0.000 0.232 125 G C -1.183 173.761 174.900 0.072 0.000 0.986 125 G CA -0.253 44.869 45.100 0.036 0.000 0.643 125 G HN 0.977 9.160 8.290 0.009 0.112 0.522 126 D N 1.724 122.204 120.400 0.133 0.000 2.389 126 D HA -0.080 4.607 4.640 0.078 0.000 0.247 126 D C -1.607 174.759 176.300 0.110 0.000 1.128 126 D CA 0.965 55.034 54.000 0.115 0.000 0.884 126 D CB 1.883 42.751 40.800 0.113 0.000 1.194 126 D HN -0.679 7.751 8.370 0.199 0.060 0.441 127 E N 4.261 124.505 120.200 0.074 0.000 2.158 127 E HA 0.616 5.149 4.350 0.079 -0.135 0.271 127 E C -1.237 175.404 176.600 0.068 0.000 0.911 127 E CA -1.229 55.211 56.400 0.067 0.000 0.767 127 E CB 2.278 32.002 29.700 0.041 0.000 1.120 127 E HN 0.138 8.534 8.360 0.060 0.000 0.405 128 I N 6.609 127.227 120.570 0.081 0.000 2.378 128 I HA 0.516 4.908 4.170 0.076 -0.176 0.291 128 I C -1.732 174.419 176.117 0.057 0.000 0.992 128 I CA -1.556 59.792 61.300 0.081 0.000 1.154 128 I CB 1.995 40.067 38.000 0.121 0.000 1.315 128 I HN 1.138 9.294 8.210 0.092 0.110 0.448 129 Q N 8.135 127.970 119.800 0.058 0.000 2.372 129 Q HA 0.568 5.029 4.340 -0.042 -0.146 0.259 129 Q C -1.401 174.584 176.000 -0.026 0.000 0.993 129 Q CA -1.611 54.200 55.803 0.014 0.000 0.854 129 Q CB 1.521 30.285 28.738 0.043 0.000 1.231 129 Q HN 1.003 9.220 8.270 0.103 0.114 0.462 130 I N 7.801 128.213 120.570 -0.263 0.000 2.354 130 I HA 0.222 4.360 4.170 -0.053 0.000 0.286 130 I C -0.108 175.505 176.117 -0.841 0.000 1.007 130 I CA -2.220 58.839 61.300 -0.401 0.000 1.167 130 I CB 0.160 37.903 38.000 -0.429 0.000 1.320 130 I HN 0.456 8.458 8.210 -0.346 0.000 0.458 131 G N 8.880 117.381 108.800 -0.499 0.000 2.561 131 G HA2 -0.413 3.488 3.960 -0.548 0.000 0.289 131 G HA3 -0.413 3.218 3.960 -0.549 0.000 0.289 131 G C -0.823 173.882 174.900 -0.325 0.000 1.169 131 G CA 1.238 46.033 45.100 -0.507 0.000 0.980 131 G HN 0.241 8.362 8.290 -0.282 0.000 0.550 132 K N 2.185 122.465 120.400 -0.200 0.000 2.455 132 K HA 0.250 4.512 4.320 -0.097 0.000 0.206 132 K C -0.717 175.915 176.600 0.054 0.000 1.027 132 K CA -0.531 55.720 56.287 -0.059 0.000 1.113 132 K CB 0.636 33.137 32.500 0.001 0.000 0.850 132 K HN 0.210 8.387 8.250 -0.121 0.000 0.503 133 F N -2.512 117.426 119.950 -0.021 0.000 2.618 133 F HA 0.513 5.036 4.527 -0.007 0.000 0.332 133 F C -2.405 173.407 175.800 0.019 0.000 1.061 133 F CA -2.602 55.397 58.000 -0.002 0.000 0.974 133 F CB 2.659 41.661 39.000 0.003 0.000 1.310 133 F HN -0.289 7.634 8.300 -0.507 0.073 0.491 134 R N -3.415 117.234 120.500 0.248 0.000 2.725 134 R HA 0.901 5.464 4.340 0.058 -0.188 0.277 134 R C -1.938 174.475 176.300 0.188 0.000 0.987 134 R CA -1.596 54.583 56.100 0.132 0.000 0.901 134 R CB 4.093 34.434 30.300 0.068 0.000 1.207 134 R HN 0.159 8.636 8.270 0.346 0.000 0.463 135 L N 1.268 122.584 121.223 0.155 0.000 2.365 135 L HA 0.771 5.376 4.340 0.173 -0.161 0.273 135 L C -1.625 175.320 176.870 0.124 0.000 1.000 135 L CA -1.808 53.130 54.840 0.164 0.000 0.819 135 L CB 2.856 45.031 42.059 0.193 0.000 1.284 135 L HN 0.997 9.185 8.230 0.118 0.113 0.418 136 V N 2.204 122.182 119.914 0.107 0.000 2.384 136 V HA 0.421 4.735 4.120 0.099 -0.134 0.287 136 V C -1.342 174.811 176.094 0.098 0.000 1.020 136 V CA -1.440 60.912 62.300 0.087 0.000 0.850 136 V CB 0.703 32.551 31.823 0.042 0.000 0.987 136 V HN 1.000 9.143 8.190 0.104 0.109 0.436 137 F N 10.112 130.026 119.950 -0.060 0.000 2.420 137 F HA 0.427 5.000 4.527 -0.146 -0.133 0.352 137 F C -2.257 173.472 175.800 -0.119 0.000 1.108 137 F CA -1.320 56.606 58.000 -0.122 0.000 1.162 137 F CB 1.830 40.741 39.000 -0.147 0.000 1.118 137 F HN 0.932 9.366 8.300 0.224 0.000 0.510 138 L N 5.843 126.663 121.223 -0.672 0.000 2.327 138 L HA 0.566 4.688 4.340 -0.362 0.000 0.258 138 L C -1.260 175.165 176.870 -0.742 0.000 1.024 138 L CA -2.199 52.330 54.840 -0.519 0.000 0.825 138 L CB 5.223 47.113 42.059 -0.282 0.000 1.386 138 L HN 1.033 8.647 8.230 -0.851 0.106 0.417 139 A N -0.951 121.596 122.820 -0.454 0.000 2.407 139 A HA 0.011 4.021 4.320 -0.517 0.000 0.248 139 A C -0.383 177.023 177.584 -0.297 0.000 1.082 139 A CA -0.147 51.662 52.037 -0.379 0.000 0.785 139 A CB 0.379 19.262 19.000 -0.196 0.000 1.020 139 A HN -0.200 7.762 8.150 -0.312 0.000 0.489 140 G N 0.285 108.940 108.800 -0.241 0.000 2.489 140 G HA2 0.140 3.989 3.960 -0.185 0.000 0.271 140 G HA3 0.140 4.040 3.960 -0.112 -0.007 0.271 140 G C -2.361 172.484 174.900 -0.092 0.000 1.427 140 G CA -1.245 43.761 45.100 -0.156 0.000 1.057 140 G HN -0.383 7.772 8.290 -0.224 0.000 0.532 141 P HA -0.055 4.337 4.420 -0.047 0.000 0.268 141 P C -1.617 175.668 177.300 -0.026 0.000 1.205 141 P CA 0.440 63.517 63.100 -0.039 0.000 0.771 141 P CB 0.871 32.557 31.700 -0.023 0.000 0.858 142 A N 2.058 124.863 122.820 -0.026 0.000 2.713 142 A HA 0.087 4.400 4.320 -0.011 0.000 0.296 142 A C -0.318 177.259 177.584 -0.012 0.000 1.255 142 A CA -0.443 51.584 52.037 -0.017 0.000 0.955 142 A CB -0.252 18.735 19.000 -0.022 0.000 1.149 142 A HN -0.158 7.973 8.150 -0.030 0.000 0.538 143 E N 0.000 120.194 120.200 -0.010 0.000 2.725 143 E HA 0.000 4.345 4.350 -0.009 0.000 0.291 143 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 143 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 143 E HN 0.000 8.259 8.360 -0.010 0.095 0.440