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 2b6e_1_C DATA FIRST_RESID 2 DATA SEQUENCE LWKKTFTLEN LNQLCSNSAV SHLGIEISAF GEDWIEATXP VDHRTXQPFG DATA SEQUENCE VLHGGVSVAL AETIGSLAGS LCLEEGKTVV GLDINANHLR PVRSGKVTAR DATA SEQUENCE ATPINLGRNI QVWQIDIRTE ENKLCCVSRL TLSVINLL 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 2 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2 L C 0.000 176.673 176.870 -0.328 0.000 1.165 2 L CA 0.000 54.570 54.840 -0.449 0.000 0.813 2 L CB 0.000 41.626 42.059 -0.722 0.000 0.961 3 W N 2.465 123.848 121.300 0.140 0.000 2.181 3 W HA 0.341 5.001 4.660 0.000 0.000 0.335 3 W C 1.232 177.817 176.519 0.110 0.000 1.310 3 W CA -0.115 57.328 57.345 0.163 0.000 1.226 3 W CB 0.345 29.973 29.460 0.279 0.000 1.155 3 W HN -0.085 8.095 8.180 -0.000 0.000 0.565 4 K N 1.202 121.801 120.400 0.331 0.000 2.360 4 K HA 0.118 4.438 4.320 0.000 0.000 0.196 4 K C 0.267 176.973 176.600 0.176 0.000 1.049 4 K CA 0.280 56.683 56.287 0.193 0.000 1.049 4 K CB 0.400 32.984 32.500 0.139 0.000 0.881 4 K HN 0.342 8.592 8.250 -0.000 0.000 0.542 5 K N 0.742 121.282 120.400 0.234 0.000 2.221 5 K HA 0.201 4.521 4.320 0.000 0.000 0.243 5 K C -0.361 176.350 176.600 0.185 0.000 0.968 5 K CA -0.436 55.955 56.287 0.175 0.000 0.846 5 K CB 1.989 34.577 32.500 0.148 0.000 1.141 5 K HN -0.213 8.037 8.250 -0.000 0.000 0.434 6 T N 1.457 116.058 114.554 0.079 0.000 2.909 6 T HA 0.645 4.995 4.350 0.000 0.000 0.286 6 T C -1.033 173.660 174.700 -0.012 0.000 1.002 6 T CA -0.479 61.583 62.100 -0.062 0.000 1.074 6 T CB 0.121 68.951 68.868 -0.063 0.000 0.984 6 T HN 0.457 8.697 8.240 -0.000 0.000 0.495 7 F N 0.080 119.907 119.950 -0.205 0.000 2.807 7 F HA 0.702 5.229 4.527 0.000 0.000 0.316 7 F C -0.871 174.765 175.800 -0.273 0.000 1.162 7 F CA -1.013 56.831 58.000 -0.260 0.000 0.910 7 F CB 0.993 39.766 39.000 -0.379 0.000 1.314 7 F HN 0.666 8.966 8.300 -0.000 0.000 0.454 8 T N -0.942 113.649 114.554 0.062 0.000 2.903 8 T HA 0.508 4.858 4.350 0.000 0.000 0.299 8 T C 0.239 174.990 174.700 0.084 0.000 1.093 8 T CA -0.903 61.215 62.100 0.030 0.000 1.002 8 T CB 1.760 70.633 68.868 0.007 0.000 1.127 8 T HN 0.889 9.129 8.240 -0.000 0.000 0.488 9 L N 0.640 121.929 121.223 0.110 0.000 2.083 9 L HA -0.041 4.299 4.340 0.000 0.000 0.209 9 L C 2.932 179.817 176.870 0.025 0.000 1.083 9 L CA 1.724 56.608 54.840 0.073 0.000 0.752 9 L CB -0.445 41.693 42.059 0.131 0.000 0.899 9 L HN 0.905 9.135 8.230 -0.000 0.000 0.433 10 E N 0.766 120.983 120.200 0.030 0.000 2.058 10 E HA -0.247 4.103 4.350 0.000 0.000 0.194 10 E C 1.834 178.430 176.600 -0.006 0.000 0.997 10 E CA 1.695 58.101 56.400 0.011 0.000 0.801 10 E CB -0.021 29.686 29.700 0.012 0.000 0.746 10 E HN 0.574 8.934 8.360 -0.000 0.000 0.450 11 N N 0.003 118.700 118.700 -0.006 0.000 2.188 11 N HA -0.120 4.620 4.740 0.000 0.000 0.184 11 N C 2.030 177.513 175.510 -0.045 0.000 1.018 11 N CA 0.715 53.753 53.050 -0.019 0.000 0.858 11 N CB 0.007 38.488 38.487 -0.010 0.000 0.989 11 N HN 0.168 8.548 8.380 -0.000 0.000 0.426 12 L N 0.961 122.144 121.223 -0.067 0.000 2.056 12 L HA -0.115 4.225 4.340 0.000 0.000 0.207 12 L C 1.912 178.728 176.870 -0.091 0.000 1.078 12 L CA 0.857 55.624 54.840 -0.123 0.000 0.749 12 L CB -0.419 41.516 42.059 -0.207 0.000 0.901 12 L HN 0.246 8.476 8.230 -0.000 0.000 0.433 13 N N -0.464 118.200 118.700 -0.060 0.000 2.244 13 N HA -0.188 4.552 4.740 0.000 0.000 0.183 13 N C 1.894 177.382 175.510 -0.037 0.000 1.016 13 N CA 0.852 53.876 53.050 -0.044 0.000 0.866 13 N CB -0.089 38.383 38.487 -0.025 0.000 0.980 13 N HN 0.332 8.712 8.380 -0.000 0.000 0.430 14 Q N 1.084 120.864 119.800 -0.034 0.000 2.084 14 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 14 Q C 2.076 178.055 176.000 -0.035 0.000 0.978 14 Q CA 0.813 56.599 55.803 -0.028 0.000 0.844 14 Q CB -0.390 28.334 28.738 -0.023 0.000 0.898 14 Q HN 0.278 8.548 8.270 -0.000 0.000 0.426 15 L N 0.151 121.345 121.223 -0.048 0.000 2.083 15 L HA -0.135 4.205 4.340 0.000 0.000 0.209 15 L C 2.078 178.916 176.870 -0.054 0.000 1.083 15 L CA 1.672 56.480 54.840 -0.054 0.000 0.752 15 L CB -0.651 41.364 42.059 -0.073 0.000 0.899 15 L HN 0.198 8.428 8.230 -0.000 0.000 0.433 16 C N -0.097 119.169 119.300 -0.057 0.000 2.576 16 C HA 0.173 4.633 4.460 0.000 0.000 0.267 16 C C 1.643 176.612 174.990 -0.034 0.000 1.364 16 C CA 0.071 59.058 59.018 -0.052 0.000 1.723 16 C CB -2.045 25.660 27.740 -0.060 0.000 1.778 16 C HN 0.689 8.919 8.230 -0.000 0.000 0.572 17 S N 1.379 117.062 115.700 -0.029 0.000 2.576 17 S HA 0.123 4.593 4.470 0.000 0.000 0.272 17 S C 0.380 174.970 174.600 -0.016 0.000 1.352 17 S CA 0.063 58.252 58.200 -0.018 0.000 1.021 17 S CB -0.034 63.156 63.200 -0.016 0.000 0.887 17 S HN 0.543 8.853 8.310 -0.000 0.000 0.542 18 N N -0.060 118.635 118.700 -0.008 0.000 2.714 18 N HA -0.212 4.528 4.740 0.000 0.000 0.252 18 N C -0.284 175.213 175.510 -0.022 0.000 1.014 18 N CA 1.030 54.073 53.050 -0.012 0.000 0.735 18 N CB -1.457 37.020 38.487 -0.017 0.000 0.924 18 N HN 1.102 9.482 8.380 -0.000 0.000 0.540 19 S N -2.382 113.310 115.700 -0.013 0.000 2.880 19 S HA 0.830 5.301 4.470 0.000 0.000 0.308 19 S C 1.146 175.748 174.600 0.003 0.000 1.195 19 S CA -0.292 57.894 58.200 -0.023 0.000 0.866 19 S CB 0.754 63.938 63.200 -0.025 0.000 1.254 19 S HN 0.383 8.693 8.310 -0.000 0.000 0.571 20 A N 0.494 123.312 122.820 -0.003 0.000 1.972 20 A HA 0.116 4.436 4.320 0.000 0.000 0.219 20 A C 2.030 179.639 177.584 0.042 0.000 1.169 20 A CA 1.793 53.849 52.037 0.032 0.000 0.635 20 A CB -1.349 17.653 19.000 0.004 0.000 0.810 20 A HN 0.833 8.983 8.150 -0.000 0.000 0.446 21 V N 0.915 120.834 119.914 0.008 0.000 2.237 21 V HA -0.263 3.857 4.120 0.000 0.000 0.245 21 V C 3.001 179.095 176.094 -0.000 0.000 1.046 21 V CA 2.503 64.798 62.300 -0.008 0.000 1.007 21 V CB -1.102 30.704 31.823 -0.028 0.000 0.638 21 V HN 0.796 8.986 8.190 -0.000 0.000 0.445 22 S N -0.599 115.107 115.700 0.011 0.000 2.428 22 S HA -0.254 4.216 4.470 0.000 0.000 0.230 22 S C 1.931 176.553 174.600 0.037 0.000 1.014 22 S CA 1.559 59.767 58.200 0.013 0.000 0.957 22 S CB -0.680 62.528 63.200 0.013 0.000 0.784 22 S HN 0.731 9.041 8.310 -0.000 0.000 0.499 23 H N 1.514 120.557 119.070 -0.045 0.000 2.423 23 H HA 0.222 4.778 4.556 0.000 0.000 0.297 23 H C 1.536 176.825 175.328 -0.065 0.000 1.075 23 H CA 1.471 57.489 56.048 -0.050 0.000 1.342 23 H CB -0.367 29.366 29.762 -0.047 0.000 1.395 23 H HN 0.379 8.659 8.280 -0.000 0.000 0.530 24 L N -0.913 120.265 121.223 -0.075 0.000 2.599 24 L HA 0.144 4.484 4.340 0.000 0.000 0.230 24 L C 1.493 178.286 176.870 -0.127 0.000 1.141 24 L CA 0.542 55.299 54.840 -0.138 0.000 0.877 24 L CB 0.068 42.082 42.059 -0.075 0.000 1.009 24 L HN 0.604 8.834 8.230 -0.000 0.000 0.447 25 G N 0.798 109.538 108.800 -0.101 0.000 2.143 25 G HA2 -0.292 3.668 3.960 0.000 0.000 0.248 25 G HA3 -0.292 3.668 3.960 0.000 0.000 0.248 25 G C 0.294 175.163 174.900 -0.051 0.000 0.991 25 G CA -0.142 44.910 45.100 -0.079 0.000 0.689 25 G HN 0.306 8.596 8.290 -0.000 0.000 0.522 26 I N 0.567 121.111 120.570 -0.043 0.000 2.588 26 I HA 0.351 4.521 4.170 0.000 0.000 0.283 26 I C 0.626 176.728 176.117 -0.025 0.000 1.119 26 I CA 0.254 61.536 61.300 -0.031 0.000 1.419 26 I CB 1.173 39.155 38.000 -0.030 0.000 1.394 26 I HN 0.251 8.461 8.210 -0.000 0.000 0.562 27 E N 6.585 126.776 120.200 -0.016 0.000 2.246 27 E HA 0.307 4.657 4.350 0.000 0.000 0.266 27 E C -1.111 175.487 176.600 -0.003 0.000 0.880 27 E CA -0.880 55.514 56.400 -0.010 0.000 0.762 27 E CB 1.411 31.111 29.700 -0.000 0.000 1.180 27 E HN 0.348 8.708 8.360 -0.000 0.000 0.416 28 I N 4.543 125.103 120.570 -0.016 0.000 2.494 28 I HA -0.035 4.136 4.170 0.000 0.000 0.289 28 I C 1.403 177.540 176.117 0.033 0.000 1.106 28 I CA 0.532 61.823 61.300 -0.016 0.000 1.369 28 I CB 0.052 38.007 38.000 -0.074 0.000 1.410 28 I HN 0.557 8.767 8.210 -0.000 0.000 0.523 29 S N 4.339 120.082 115.700 0.072 0.000 2.497 29 S HA 0.553 5.023 4.470 0.000 0.000 0.221 29 S C 0.659 175.352 174.600 0.155 0.000 1.037 29 S CA 0.267 58.528 58.200 0.101 0.000 0.920 29 S CB 0.646 63.901 63.200 0.092 0.000 0.800 29 S HN 0.784 9.094 8.310 -0.000 0.000 0.505 30 A N 0.594 123.547 122.820 0.221 0.000 2.567 30 A HA 0.660 4.980 4.320 0.000 0.000 0.291 30 A C -1.558 176.199 177.584 0.287 0.000 1.048 30 A CA -0.940 51.251 52.037 0.257 0.000 0.661 30 A CB 0.411 19.589 19.000 0.297 0.000 1.288 30 A HN 1.008 9.158 8.150 -0.000 0.000 0.424 31 F N -1.281 118.548 119.950 -0.202 0.000 2.668 31 F HA 0.915 5.442 4.527 0.000 0.000 0.309 31 F C 0.126 175.318 175.800 -1.013 0.000 1.117 31 F CA -0.207 57.436 58.000 -0.595 0.000 0.951 31 F CB 0.975 39.824 39.000 -0.252 0.000 1.323 31 F HN 1.197 9.497 8.300 -0.000 0.000 0.451 32 G N 0.343 108.269 108.800 -1.456 0.000 3.262 32 G HA2 0.360 4.320 3.960 0.000 0.000 0.229 32 G HA3 0.360 4.320 3.960 0.000 0.000 0.229 32 G C -0.246 174.529 174.900 -0.209 0.000 1.280 32 G CA -0.592 43.864 45.100 -1.074 0.000 0.951 32 G HN 0.677 8.967 8.290 -0.000 0.000 0.589 33 E N 0.120 120.267 120.200 -0.088 0.000 2.106 33 E HA -0.082 4.268 4.350 0.000 0.000 0.192 33 E C 0.356 176.890 176.600 -0.110 0.000 0.984 33 E CA 1.588 58.005 56.400 0.028 0.000 0.806 33 E CB 0.173 29.895 29.700 0.037 0.000 0.750 33 E HN 0.566 8.926 8.360 -0.000 0.000 0.458 34 D N -1.416 118.958 120.400 -0.044 0.000 2.785 34 D HA 0.026 4.666 4.640 0.000 0.000 0.324 34 D C -0.182 176.267 176.300 0.248 0.000 1.523 34 D CA -0.484 53.450 54.000 -0.111 0.000 0.789 34 D CB -0.816 39.954 40.800 -0.049 0.000 1.171 34 D HN 0.184 8.554 8.370 -0.000 0.000 0.447 35 W N -0.235 121.316 121.300 0.418 0.000 3.146 35 W HA 0.716 5.377 4.660 0.000 0.000 0.319 35 W C -2.225 174.680 176.519 0.643 0.000 1.258 35 W CA -1.345 56.291 57.345 0.485 0.000 1.189 35 W CB 0.604 30.236 29.460 0.286 0.000 1.412 35 W HN -0.115 8.065 8.180 -0.000 0.000 0.567 36 I N 1.216 122.246 120.570 0.767 0.000 2.827 36 I HA 0.422 4.592 4.170 0.000 0.000 0.298 36 I C -1.120 175.272 176.117 0.459 0.000 1.235 36 I CA -0.434 61.133 61.300 0.444 0.000 1.021 36 I CB 2.659 40.688 38.000 0.048 0.000 1.259 36 I HN 0.579 8.789 8.210 -0.000 0.000 0.427 37 E N 4.952 125.391 120.200 0.399 0.000 2.336 37 E HA 0.820 5.170 4.350 0.000 0.000 0.267 37 E C -1.405 175.282 176.600 0.145 0.000 0.906 37 E CA -1.150 55.418 56.400 0.281 0.000 0.781 37 E CB 2.333 32.230 29.700 0.328 0.000 1.261 37 E HN 0.624 8.984 8.360 -0.000 0.000 0.436 38 A N 1.014 123.890 122.820 0.093 0.000 2.449 38 A HA 0.673 4.993 4.320 0.000 0.000 0.302 38 A C -0.348 177.261 177.584 0.041 0.000 1.048 38 A CA -0.659 51.406 52.037 0.045 0.000 0.708 38 A CB 1.485 20.489 19.000 0.007 0.000 1.274 38 A HN 0.590 8.740 8.150 -0.000 0.000 0.410 42 V N 2.147 122.036 119.914 -0.042 0.000 2.259 42 V HA 0.478 4.598 4.120 0.000 0.000 0.267 42 V C -0.140 175.928 176.094 -0.043 0.000 1.051 42 V CA 0.156 62.431 62.300 -0.043 0.000 0.830 42 V CB 0.302 32.109 31.823 -0.027 0.000 1.080 42 V HN 0.881 9.071 8.190 -0.000 0.000 0.467 43 D N 0.753 121.111 120.400 -0.070 0.000 2.812 43 D HA 0.191 4.831 4.640 0.000 0.000 0.318 43 D C 1.205 177.458 176.300 -0.079 0.000 1.234 43 D CA -0.513 53.457 54.000 -0.050 0.000 0.989 43 D CB 0.371 41.142 40.800 -0.049 0.000 1.442 43 D HN 0.286 8.656 8.370 -0.000 0.000 0.537 44 H N -0.211 118.825 119.070 -0.056 0.000 2.518 44 H HA 0.001 4.557 4.556 0.000 0.000 0.292 44 H C 0.992 176.274 175.328 -0.077 0.000 1.068 44 H CA 1.114 57.126 56.048 -0.061 0.000 1.275 44 H CB -0.060 29.673 29.762 -0.048 0.000 1.375 44 H HN 0.301 8.581 8.280 -0.000 0.000 0.563 45 R N 0.858 120.989 120.500 -0.615 0.000 2.153 45 R HA 0.020 4.360 4.340 0.000 0.000 0.218 45 R C 0.943 177.087 176.300 -0.260 0.000 1.072 45 R CA 1.245 57.065 56.100 -0.466 0.000 0.990 45 R CB 0.251 30.245 30.300 -0.510 0.000 0.889 45 R HN 0.542 8.812 8.270 -0.000 0.000 0.452 49 P HA -0.129 4.291 4.420 -0.000 0.000 0.221 49 P C 0.440 177.726 177.300 -0.022 0.000 1.145 49 P CA 1.478 64.534 63.100 -0.072 0.000 0.795 49 P CB -0.045 31.697 31.700 0.070 0.000 0.775 50 F N -1.834 118.125 119.950 0.014 0.000 2.663 50 F HA 0.649 5.176 4.527 0.000 0.000 0.299 50 F C 1.348 177.151 175.800 0.005 0.000 1.143 50 F CA -0.554 57.450 58.000 0.006 0.000 1.387 50 F CB -0.966 38.032 39.000 -0.004 0.000 1.019 50 F HN 0.036 8.336 8.300 -0.000 0.000 0.523 51 G N 0.411 109.165 108.800 -0.077 0.000 2.157 51 G HA2 -0.170 3.790 3.960 0.000 0.000 0.248 51 G HA3 -0.170 3.790 3.960 0.000 0.000 0.248 51 G C -0.093 174.776 174.900 -0.053 0.000 0.979 51 G CA 0.034 45.114 45.100 -0.034 0.000 0.650 51 G HN 0.948 9.238 8.290 -0.000 0.000 0.529 52 V N -2.316 117.512 119.914 -0.144 0.000 2.960 52 V HA 0.889 5.009 4.120 0.000 0.000 0.315 52 V C 0.723 176.732 176.094 -0.143 0.000 1.087 52 V CA -1.393 60.852 62.300 -0.091 0.000 0.982 52 V CB 1.896 33.714 31.823 -0.008 0.000 1.039 52 V HN 1.054 9.244 8.190 -0.000 0.000 0.437 53 L N 2.935 124.107 121.223 -0.085 0.000 2.578 53 L HA 0.193 4.533 4.340 0.000 0.000 0.279 53 L C 0.394 177.201 176.870 -0.105 0.000 1.227 53 L CA 0.786 55.581 54.840 -0.074 0.000 0.900 53 L CB -0.386 41.643 42.059 -0.049 0.000 1.144 53 L HN 0.997 9.227 8.230 -0.000 0.000 0.496 54 H N 4.409 123.375 119.070 -0.175 0.000 2.878 54 H HA 0.127 4.683 4.556 0.000 0.000 0.290 54 H C 1.110 176.320 175.328 -0.196 0.000 1.065 54 H CA 0.664 56.601 56.048 -0.186 0.000 1.477 54 H CB 1.189 30.861 29.762 -0.150 0.000 1.484 54 H HN 0.893 9.173 8.280 -0.000 0.000 0.504 55 G N 3.683 112.262 108.800 -0.368 0.000 2.442 55 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 55 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 55 G C 1.673 176.534 174.900 -0.064 0.000 1.141 55 G CA 0.597 45.330 45.100 -0.612 0.000 0.763 55 G HN 0.701 8.991 8.290 -0.000 0.000 0.554 56 G N 0.283 109.215 108.800 0.221 0.000 2.422 56 G HA2 -0.116 3.844 3.960 0.000 0.000 0.218 56 G HA3 -0.116 3.844 3.960 0.000 0.000 0.218 56 G C 1.715 176.733 174.900 0.197 0.000 1.146 56 G CA 1.137 46.423 45.100 0.309 0.000 0.769 56 G HN 0.336 8.626 8.290 -0.000 0.000 0.547 57 V N 1.030 121.055 119.914 0.185 0.000 2.667 57 V HA -0.129 3.991 4.120 0.000 0.000 0.252 57 V C 3.009 179.131 176.094 0.046 0.000 1.065 57 V CA 1.926 64.240 62.300 0.023 0.000 1.083 57 V CB -0.218 31.571 31.823 -0.057 0.000 0.692 57 V HN 0.329 8.519 8.190 -0.000 0.000 0.468 58 S N 0.106 115.851 115.700 0.075 0.000 2.382 58 S HA -0.143 4.327 4.470 0.000 0.000 0.228 58 S C 2.007 176.668 174.600 0.102 0.000 1.027 58 S CA 1.399 59.646 58.200 0.079 0.000 0.991 58 S CB -0.118 63.141 63.200 0.099 0.000 0.823 58 S HN 0.425 8.735 8.310 -0.000 0.000 0.469 59 V N 1.874 121.872 119.914 0.140 0.000 2.453 59 V HA -0.119 4.001 4.120 0.000 0.000 0.247 59 V C 2.599 178.730 176.094 0.062 0.000 1.048 59 V CA 1.454 63.821 62.300 0.111 0.000 1.049 59 V CB -1.170 30.731 31.823 0.130 0.000 0.672 59 V HN 0.521 8.711 8.190 -0.000 0.000 0.457 60 A N 0.175 123.024 122.820 0.048 0.000 1.933 60 A HA -0.203 4.117 4.320 0.000 0.000 0.218 60 A C 2.166 179.753 177.584 0.006 0.000 1.175 60 A CA 2.118 54.166 52.037 0.018 0.000 0.628 60 A CB -0.534 18.466 19.000 0.001 0.000 0.814 60 A HN 0.470 8.620 8.150 -0.000 0.000 0.444 61 L N -0.260 120.970 121.223 0.011 0.000 2.027 61 L HA -0.020 4.321 4.340 0.000 0.000 0.206 61 L C 2.621 179.494 176.870 0.006 0.000 1.074 61 L CA 2.243 57.085 54.840 0.003 0.000 0.745 61 L CB -0.873 41.192 42.059 0.010 0.000 0.898 61 L HN 0.321 8.551 8.230 -0.000 0.000 0.433 62 A N -0.657 122.178 122.820 0.026 0.000 1.883 62 A HA -0.294 4.026 4.320 0.000 0.000 0.217 62 A C 2.345 179.933 177.584 0.006 0.000 1.186 62 A CA 1.946 54.000 52.037 0.029 0.000 0.624 62 A CB -0.832 18.198 19.000 0.051 0.000 0.822 62 A HN 0.632 8.782 8.150 -0.000 0.000 0.444 63 E N -0.982 119.220 120.200 0.003 0.000 2.106 63 E HA -0.132 4.218 4.350 0.000 0.000 0.192 63 E C 1.974 178.541 176.600 -0.054 0.000 0.984 63 E CA 1.508 57.898 56.400 -0.017 0.000 0.806 63 E CB -0.129 29.569 29.700 -0.005 0.000 0.750 63 E HN 0.590 8.950 8.360 -0.000 0.000 0.458 64 T N 1.046 115.570 114.554 -0.050 0.000 2.622 64 T HA -0.187 4.163 4.350 0.000 0.000 0.266 64 T C 1.807 176.439 174.700 -0.114 0.000 1.047 64 T CA 1.390 63.447 62.100 -0.073 0.000 1.159 64 T CB -0.287 68.548 68.868 -0.055 0.000 0.863 64 T HN 0.159 8.399 8.240 -0.000 0.000 0.422 65 I N 1.309 121.821 120.570 -0.097 0.000 2.394 65 I HA 0.049 4.219 4.170 0.000 0.000 0.251 65 I C 2.378 178.362 176.117 -0.222 0.000 1.136 65 I CA 1.050 62.273 61.300 -0.128 0.000 1.425 65 I CB -0.795 37.175 38.000 -0.049 0.000 1.079 65 I HN 0.265 8.475 8.210 -0.000 0.000 0.425 66 G N -0.995 107.680 108.800 -0.208 0.000 2.394 66 G HA2 -0.186 3.774 3.960 0.000 0.000 0.215 66 G HA3 -0.186 3.774 3.960 0.000 0.000 0.215 66 G C 1.681 176.235 174.900 -0.577 0.000 1.165 66 G CA 0.814 45.685 45.100 -0.382 0.000 0.784 66 G HN 0.441 8.731 8.290 -0.000 0.000 0.535 67 S N 0.270 115.778 115.700 -0.320 0.000 2.368 67 S HA -0.071 4.399 4.470 0.000 0.000 0.224 67 S C 2.150 176.574 174.600 -0.293 0.000 1.029 67 S CA 0.965 59.008 58.200 -0.262 0.000 0.988 67 S CB -0.252 62.863 63.200 -0.142 0.000 0.838 67 S HN 0.239 8.549 8.310 -0.000 0.000 0.462 68 L N 2.208 123.255 121.223 -0.293 0.000 2.017 68 L HA -0.019 4.321 4.340 0.000 0.000 0.208 68 L C 2.389 179.029 176.870 -0.384 0.000 1.073 68 L CA 1.980 56.639 54.840 -0.303 0.000 0.745 68 L CB -1.210 40.672 42.059 -0.295 0.000 0.894 68 L HN 0.240 8.470 8.230 -0.000 0.000 0.432 69 A N -0.450 122.069 122.820 -0.502 0.000 1.892 69 A HA -0.154 4.166 4.320 0.000 0.000 0.218 69 A C 2.370 179.714 177.584 -0.399 0.000 1.188 69 A CA 1.894 53.619 52.037 -0.521 0.000 0.631 69 A CB -1.715 16.738 19.000 -0.912 0.000 0.822 69 A HN 0.556 8.706 8.150 -0.000 0.000 0.447 70 G N -0.049 108.350 108.800 -0.670 0.000 2.446 70 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 70 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 70 G C 1.998 176.948 174.900 0.083 0.000 1.168 70 G CA 2.098 47.169 45.100 -0.049 0.000 0.771 70 G HN 0.971 9.261 8.290 -0.000 0.000 0.551 71 S N 0.559 116.231 115.700 -0.047 0.000 2.399 71 S HA 0.022 4.492 4.470 0.000 0.000 0.231 71 S C 2.249 176.859 174.600 0.017 0.000 1.022 71 S CA 1.057 59.246 58.200 -0.018 0.000 0.983 71 S CB -0.357 62.796 63.200 -0.078 0.000 0.803 71 S HN 0.289 8.599 8.310 -0.000 0.000 0.480 72 L N 0.336 121.559 121.223 -0.000 0.000 2.465 72 L HA 0.101 4.441 4.340 0.000 0.000 0.224 72 L C 1.363 178.432 176.870 0.333 0.000 1.145 72 L CA 0.158 55.037 54.840 0.065 0.000 0.834 72 L CB -0.446 41.473 42.059 -0.233 0.000 0.944 72 L HN 0.449 8.679 8.230 -0.000 0.000 0.451 73 C N 0.318 119.822 119.300 0.340 0.000 2.614 73 C HA 0.372 4.832 4.460 0.000 0.000 0.299 73 C C 0.749 175.855 174.990 0.194 0.000 1.293 73 C CA -0.544 58.663 59.018 0.315 0.000 1.713 73 C CB -1.243 26.715 27.740 0.362 0.000 1.890 73 C HN 0.199 8.429 8.230 -0.000 0.000 0.602 74 L N 0.362 121.679 121.223 0.156 0.000 2.354 74 L HA 0.457 4.797 4.340 0.000 0.000 0.264 74 L C -0.083 176.840 176.870 0.087 0.000 1.008 74 L CA -0.437 54.466 54.840 0.105 0.000 0.819 74 L CB 1.661 43.771 42.059 0.086 0.000 1.339 74 L HN 0.151 8.381 8.230 -0.000 0.000 0.420 75 E N 0.848 121.088 120.200 0.067 0.000 2.342 75 E HA 0.165 4.515 4.350 0.000 0.000 0.257 75 E C -0.695 175.930 176.600 0.042 0.000 1.150 75 E CA -0.821 55.612 56.400 0.055 0.000 0.926 75 E CB 0.770 30.497 29.700 0.044 0.000 1.074 75 E HN 0.362 8.722 8.360 -0.000 0.000 0.449 76 E N -0.035 120.185 120.200 0.034 0.000 2.415 76 E HA 0.067 4.417 4.350 0.000 0.000 0.262 76 E C 0.769 177.382 176.600 0.021 0.000 1.038 76 E CA 0.826 57.240 56.400 0.024 0.000 0.921 76 E CB 0.762 30.473 29.700 0.019 0.000 0.950 76 E HN 0.853 9.213 8.360 -0.000 0.000 0.438 77 G N 1.976 110.786 108.800 0.016 0.000 2.176 77 G HA2 -0.250 3.710 3.960 0.000 0.000 0.232 77 G HA3 -0.250 3.710 3.960 0.000 0.000 0.232 77 G C 0.153 175.063 174.900 0.017 0.000 0.986 77 G CA 0.289 45.397 45.100 0.014 0.000 0.643 77 G HN 0.385 8.675 8.290 -0.000 0.000 0.522 78 K N -0.284 120.128 120.400 0.021 0.000 2.469 78 K HA 0.730 5.051 4.320 0.000 0.000 0.254 78 K C -0.754 175.861 176.600 0.024 0.000 0.939 78 K CA -0.290 56.011 56.287 0.025 0.000 0.812 78 K CB 2.529 35.049 32.500 0.033 0.000 1.301 78 K HN 0.131 8.381 8.250 -0.000 0.000 0.433 79 T N -0.171 114.396 114.554 0.023 0.000 2.754 79 T HA 0.598 4.948 4.350 0.000 0.000 0.296 79 T C -1.603 173.112 174.700 0.025 0.000 1.205 79 T CA -0.652 61.458 62.100 0.017 0.000 1.009 79 T CB 1.436 70.306 68.868 0.003 0.000 1.368 79 T HN 0.370 8.610 8.240 -0.000 0.000 0.509 80 V N 0.032 119.957 119.914 0.018 0.000 2.815 80 V HA 0.972 5.092 4.120 0.000 0.000 0.314 80 V C -0.918 175.183 176.094 0.012 0.000 1.064 80 V CA -0.711 61.606 62.300 0.028 0.000 0.952 80 V CB 1.519 33.364 31.823 0.037 0.000 1.020 80 V HN 0.649 8.839 8.190 -0.000 0.000 0.439 81 V N 2.234 122.160 119.914 0.020 0.000 2.588 81 V HA 0.720 4.840 4.120 0.000 0.000 0.304 81 V C 0.858 176.964 176.094 0.020 0.000 1.042 81 V CA -0.000 62.307 62.300 0.013 0.000 0.877 81 V CB 1.765 33.596 31.823 0.013 0.000 0.996 81 V HN 1.290 9.480 8.190 -0.000 0.000 0.425 82 G N 3.022 111.829 108.800 0.011 0.000 2.354 82 G HA2 0.372 4.332 3.960 0.000 0.000 0.266 82 G HA3 0.372 4.332 3.960 0.000 0.000 0.266 82 G C 0.406 175.320 174.900 0.023 0.000 1.242 82 G CA -0.097 45.014 45.100 0.018 0.000 0.923 82 G HN 0.538 8.828 8.290 -0.000 0.000 0.476 83 L N 1.647 122.890 121.223 0.034 0.000 2.189 83 L HA 0.290 4.630 4.340 0.000 0.000 0.199 83 L C 0.996 177.883 176.870 0.028 0.000 1.074 83 L CA 1.637 56.495 54.840 0.030 0.000 0.783 83 L CB -0.386 41.694 42.059 0.035 0.000 0.955 83 L HN 0.835 9.065 8.230 -0.000 0.000 0.460 84 D N -2.646 117.775 120.400 0.035 0.000 2.639 84 D HA 0.485 5.126 4.640 0.000 0.000 0.271 84 D C -0.906 175.417 176.300 0.038 0.000 1.254 84 D CA -0.411 53.608 54.000 0.031 0.000 0.810 84 D CB 1.837 42.653 40.800 0.027 0.000 1.351 84 D HN -0.041 8.329 8.370 -0.000 0.000 0.427 85 I N 0.087 120.676 120.570 0.033 0.000 2.841 85 I HA 0.573 4.743 4.170 0.000 0.000 0.298 85 I C -2.148 173.983 176.117 0.024 0.000 1.304 85 I CA -0.628 60.693 61.300 0.035 0.000 1.019 85 I CB 1.954 39.976 38.000 0.037 0.000 1.282 85 I HN 0.777 8.987 8.210 -0.000 0.000 0.432 86 N N 5.483 124.194 118.700 0.018 0.000 2.357 86 N HA 0.929 5.669 4.740 0.000 0.000 0.284 86 N C -1.613 173.883 175.510 -0.023 0.000 1.236 86 N CA -0.559 52.489 53.050 -0.004 0.000 0.774 86 N CB 2.342 40.826 38.487 -0.005 0.000 1.534 86 N HN 0.786 9.166 8.380 -0.000 0.000 0.478 87 A N 0.490 123.265 122.820 -0.076 0.000 2.589 87 A HA 0.665 4.985 4.320 0.000 0.000 0.296 87 A C -1.806 175.620 177.584 -0.262 0.000 1.062 87 A CA -0.828 51.128 52.037 -0.135 0.000 0.686 87 A CB 1.027 19.952 19.000 -0.126 0.000 1.282 87 A HN 0.737 8.887 8.150 -0.000 0.000 0.404 88 N N 0.550 119.117 118.700 -0.221 0.000 2.372 88 N HA 0.543 5.283 4.740 0.000 0.000 0.285 88 N C -1.307 174.085 175.510 -0.196 0.000 1.008 88 N CA -0.329 52.591 53.050 -0.217 0.000 0.880 88 N CB 1.055 39.493 38.487 -0.082 0.000 1.239 88 N HN 0.715 9.095 8.380 -0.000 0.000 0.484 89 H N 1.769 120.849 119.070 0.017 0.000 2.604 89 H HA 0.235 4.791 4.556 0.000 0.000 0.306 89 H C 0.712 176.049 175.328 0.014 0.000 1.075 89 H CA -0.446 55.611 56.048 0.016 0.000 1.357 89 H CB 1.336 31.106 29.762 0.014 0.000 1.426 89 H HN 0.422 8.702 8.280 -0.000 0.000 0.470 90 L N 2.902 124.199 121.223 0.123 0.000 2.408 90 L HA 0.238 4.578 4.340 0.000 0.000 0.215 90 L C 0.687 177.592 176.870 0.059 0.000 1.081 90 L CA 0.352 55.233 54.840 0.070 0.000 0.840 90 L CB 0.080 42.167 42.059 0.046 0.000 1.002 90 L HN 0.560 8.790 8.230 -0.000 0.000 0.468 91 R N -0.396 120.141 120.500 0.062 0.000 2.664 91 R HA 0.445 4.785 4.340 0.000 0.000 0.266 91 R C -3.105 173.217 176.300 0.036 0.000 1.046 91 R CA -1.408 54.717 56.100 0.043 0.000 0.885 91 R CB 0.455 30.774 30.300 0.032 0.000 1.254 91 R HN -0.312 7.958 8.270 -0.000 0.000 0.465 92 P HA 0.218 4.638 4.420 -0.000 0.000 0.274 92 P C -0.770 176.540 177.300 0.016 0.000 1.231 92 P CA -0.466 62.649 63.100 0.024 0.000 0.790 92 P CB 1.290 33.014 31.700 0.041 0.000 0.951 93 V N 3.649 123.565 119.914 0.004 0.000 2.577 93 V HA 0.389 4.509 4.120 0.000 0.000 0.303 93 V C 1.162 177.253 176.094 -0.005 0.000 1.042 93 V CA -0.580 61.720 62.300 0.001 0.000 0.872 93 V CB 1.933 33.754 31.823 -0.003 0.000 0.998 93 V HN 0.670 8.860 8.190 -0.000 0.000 0.423 94 R N 1.573 122.073 120.500 0.001 0.000 2.509 94 R HA 0.380 4.720 4.340 0.000 0.000 0.297 94 R C 0.194 176.493 176.300 -0.002 0.000 0.951 94 R CA 0.255 56.354 56.100 -0.001 0.000 1.103 94 R CB 0.914 31.221 30.300 0.011 0.000 1.283 94 R HN 0.724 8.994 8.270 -0.000 0.000 0.534 95 S N -1.449 114.250 115.700 -0.002 0.000 2.636 95 S HA 0.665 5.135 4.470 0.000 0.000 0.268 95 S C 0.234 174.833 174.600 -0.003 0.000 1.159 95 S CA -0.156 58.043 58.200 -0.001 0.000 0.815 95 S CB 1.642 64.844 63.200 0.003 0.000 1.130 95 S HN 0.529 8.839 8.310 -0.000 0.000 0.471 96 G N 1.110 109.908 108.800 -0.003 0.000 2.539 96 G HA2 -0.032 3.928 3.960 0.000 0.000 0.256 96 G HA3 -0.032 3.928 3.960 0.000 0.000 0.256 96 G C -0.676 174.220 174.900 -0.007 0.000 1.233 96 G CA 0.288 45.387 45.100 -0.002 0.000 0.936 96 G HN 1.702 9.992 8.290 -0.000 0.000 0.571 97 K N -1.258 119.140 120.400 -0.004 0.000 2.435 97 K HA 0.785 5.105 4.320 0.000 0.000 0.251 97 K C -0.137 176.463 176.600 -0.000 0.000 0.954 97 K CA -0.607 55.677 56.287 -0.006 0.000 0.820 97 K CB 2.618 35.116 32.500 -0.004 0.000 1.292 97 K HN 1.525 9.775 8.250 -0.000 0.000 0.436 98 V N -1.367 118.547 119.914 0.000 0.000 2.834 98 V HA 0.635 4.755 4.120 0.000 0.000 0.313 98 V C -0.654 175.448 176.094 0.014 0.000 1.060 98 V CA -0.458 61.846 62.300 0.007 0.000 0.989 98 V CB 1.539 33.367 31.823 0.009 0.000 1.041 98 V HN 0.857 9.047 8.190 -0.000 0.000 0.459 99 T N 2.788 117.353 114.554 0.018 0.000 2.840 99 T HA 0.751 5.101 4.350 0.000 0.000 0.287 99 T C -0.184 174.536 174.700 0.034 0.000 0.991 99 T CA 0.040 62.157 62.100 0.028 0.000 0.964 99 T CB 1.300 70.183 68.868 0.025 0.000 0.954 99 T HN 1.306 9.546 8.240 -0.000 0.000 0.438 100 A N 3.585 126.434 122.820 0.048 0.000 2.271 100 A HA 0.722 5.042 4.320 0.000 0.000 0.317 100 A C 0.078 177.717 177.584 0.092 0.000 1.245 100 A CA -0.749 51.324 52.037 0.059 0.000 0.857 100 A CB 0.555 19.585 19.000 0.050 0.000 1.175 100 A HN 0.781 8.931 8.150 -0.000 0.000 0.512 101 R N 2.708 123.266 120.500 0.098 0.000 2.295 101 R HA 0.618 4.958 4.340 0.000 0.000 0.324 101 R C -0.487 175.936 176.300 0.206 0.000 0.968 101 R CA -0.269 55.927 56.100 0.161 0.000 0.837 101 R CB 1.179 31.521 30.300 0.070 0.000 1.133 101 R HN 0.782 9.052 8.270 -0.000 0.000 0.450 102 A N 3.251 126.242 122.820 0.285 0.000 2.274 102 A HA 0.483 4.803 4.320 0.000 0.000 0.309 102 A C -0.476 177.443 177.584 0.560 0.000 1.226 102 A CA -0.490 51.755 52.037 0.347 0.000 0.853 102 A CB 1.014 20.120 19.000 0.176 0.000 1.146 102 A HN 0.810 8.960 8.150 -0.000 0.000 0.518 103 T N 0.911 115.797 114.554 0.553 0.000 2.900 103 T HA 0.776 5.126 4.350 0.000 0.000 0.295 103 T C -3.170 171.642 174.700 0.187 0.000 1.044 103 T CA -2.042 60.318 62.100 0.433 0.000 0.995 103 T CB 2.106 71.115 68.868 0.235 0.000 1.072 103 T HN 0.418 8.658 8.240 -0.000 0.000 0.473 104 P HA 0.403 4.823 4.420 -0.000 0.000 0.279 104 P C 0.133 177.184 177.300 -0.415 0.000 1.239 104 P CA -0.582 61.996 63.100 -0.870 0.000 0.789 104 P CB 1.468 32.556 31.700 -1.021 0.000 0.933 105 I N 1.149 121.478 120.570 -0.400 0.000 3.039 105 I HA 0.157 4.327 4.170 0.000 0.000 0.270 105 I C 1.055 177.042 176.117 -0.218 0.000 1.150 105 I CA 0.638 61.811 61.300 -0.212 0.000 1.448 105 I CB 0.234 38.157 38.000 -0.127 0.000 1.197 105 I HN 0.445 8.655 8.210 -0.000 0.000 0.450 106 N N 0.895 119.427 118.700 -0.280 0.000 2.554 106 N HA 0.292 5.032 4.740 0.000 0.000 0.271 106 N C -1.712 173.657 175.510 -0.235 0.000 1.081 106 N CA -0.324 52.599 53.050 -0.211 0.000 0.994 106 N CB 1.925 40.337 38.487 -0.124 0.000 1.641 106 N HN -0.035 8.345 8.380 -0.000 0.000 0.511 107 L N 2.875 123.982 121.223 -0.194 0.000 2.337 107 L HA 0.533 4.873 4.340 0.000 0.000 0.269 107 L C 1.053 177.886 176.870 -0.061 0.000 1.018 107 L CA -0.650 54.112 54.840 -0.130 0.000 0.876 107 L CB 1.377 43.357 42.059 -0.133 0.000 1.236 107 L HN 0.502 8.732 8.230 -0.000 0.000 0.436 108 G N 1.299 110.080 108.800 -0.033 0.000 2.613 108 G HA2 0.392 4.353 3.960 0.000 0.000 0.303 108 G HA3 0.392 4.353 3.960 0.000 0.000 0.303 108 G C 0.592 175.495 174.900 0.005 0.000 1.312 108 G CA -0.544 44.547 45.100 -0.015 0.000 1.036 108 G HN 0.573 8.863 8.290 -0.000 0.000 0.513 109 R N -0.641 119.862 120.500 0.006 0.000 2.115 109 R HA -0.020 4.320 4.340 0.000 0.000 0.230 109 R C 1.362 177.675 176.300 0.021 0.000 1.111 109 R CA 1.166 57.275 56.100 0.014 0.000 0.976 109 R CB 0.097 30.403 30.300 0.009 0.000 0.870 109 R HN 0.416 8.686 8.270 -0.000 0.000 0.445 110 N N -0.891 117.820 118.700 0.019 0.000 2.332 110 N HA 0.138 4.878 4.740 0.000 0.000 0.190 110 N C -0.132 175.396 175.510 0.031 0.000 1.117 110 N CA 0.391 53.455 53.050 0.023 0.000 0.883 110 N CB 1.363 39.860 38.487 0.017 0.000 1.089 110 N HN -0.020 8.360 8.380 -0.000 0.000 0.480 111 I N 1.347 121.934 120.570 0.029 0.000 2.686 111 I HA 0.308 4.478 4.170 0.000 0.000 0.295 111 I C -0.579 175.561 176.117 0.039 0.000 1.114 111 I CA -0.370 60.953 61.300 0.038 0.000 1.038 111 I CB 2.330 40.345 38.000 0.026 0.000 1.238 111 I HN -0.189 8.021 8.210 -0.000 0.000 0.420 112 Q N 3.706 123.553 119.800 0.079 0.000 2.365 112 Q HA 0.704 5.044 4.340 0.000 0.000 0.269 112 Q C -1.273 174.777 176.000 0.084 0.000 1.061 112 Q CA -0.811 55.036 55.803 0.074 0.000 0.816 112 Q CB 3.538 32.425 28.738 0.248 0.000 1.325 112 Q HN 0.379 8.649 8.270 -0.000 0.000 0.446 113 V N 1.990 121.862 119.914 -0.069 0.000 2.444 113 V HA 0.446 4.566 4.120 0.000 0.000 0.294 113 V C -1.253 174.747 176.094 -0.156 0.000 1.022 113 V CA -0.769 61.519 62.300 -0.020 0.000 0.850 113 V CB 0.806 32.604 31.823 -0.042 0.000 0.992 113 V HN 0.676 8.866 8.190 -0.000 0.000 0.426 114 W N 2.386 123.703 121.300 0.028 0.000 2.689 114 W HA 0.627 5.287 4.660 0.000 0.000 0.340 114 W C 0.040 176.582 176.519 0.037 0.000 1.060 114 W CA -0.460 56.908 57.345 0.040 0.000 1.218 114 W CB 1.554 31.045 29.460 0.053 0.000 1.410 114 W HN 0.481 8.661 8.180 -0.000 0.000 0.528 115 Q N 2.720 122.683 119.800 0.272 0.000 2.271 115 Q HA 0.617 4.957 4.340 0.000 0.000 0.258 115 Q C -1.407 174.726 176.000 0.221 0.000 0.936 115 Q CA -0.557 55.354 55.803 0.181 0.000 0.909 115 Q CB 0.967 29.769 28.738 0.106 0.000 1.253 115 Q HN 0.529 8.799 8.270 -0.000 0.000 0.440 116 I N 3.773 124.437 120.570 0.157 0.000 2.468 116 I HA 0.281 4.451 4.170 0.000 0.000 0.284 116 I C -1.262 174.909 176.117 0.091 0.000 1.038 116 I CA -0.479 60.902 61.300 0.135 0.000 1.083 116 I CB 1.899 39.966 38.000 0.111 0.000 1.223 116 I HN 0.497 8.707 8.210 -0.000 0.000 0.443 117 D N 6.935 127.383 120.400 0.080 0.000 2.217 117 D HA 0.585 5.225 4.640 0.000 0.000 0.243 117 D C -0.331 175.997 176.300 0.046 0.000 1.054 117 D CA -0.083 53.949 54.000 0.052 0.000 0.838 117 D CB 2.068 42.889 40.800 0.035 0.000 1.162 117 D HN 0.262 8.632 8.370 -0.000 0.000 0.472 118 I N 2.206 122.802 120.570 0.044 0.000 2.378 118 I HA 0.427 4.597 4.170 0.000 0.000 0.291 118 I C 0.385 176.518 176.117 0.028 0.000 0.992 118 I CA -0.698 60.626 61.300 0.039 0.000 1.154 118 I CB 1.413 39.444 38.000 0.051 0.000 1.315 118 I HN -0.014 8.196 8.210 -0.000 0.000 0.448 119 R N 2.759 123.269 120.500 0.017 0.000 2.854 119 R HA 0.559 4.899 4.340 0.000 0.000 0.271 119 R C -0.188 176.117 176.300 0.008 0.000 0.996 119 R CA -0.747 55.358 56.100 0.009 0.000 0.961 119 R CB 2.455 32.752 30.300 -0.005 0.000 1.182 119 R HN 0.728 8.998 8.270 -0.000 0.000 0.479 120 T N -2.503 112.055 114.554 0.007 0.000 2.770 120 T HA 0.051 4.401 4.350 0.000 0.000 0.281 120 T C 1.174 175.875 174.700 0.002 0.000 0.981 120 T CA -0.606 61.497 62.100 0.005 0.000 0.955 120 T CB 0.774 69.646 68.868 0.006 0.000 1.060 120 T HN 0.754 8.994 8.240 -0.000 0.000 0.531 121 E N -0.079 120.122 120.200 0.002 0.000 2.338 121 E HA -0.120 4.230 4.350 0.000 0.000 0.197 121 E C 1.128 177.728 176.600 -0.000 0.000 1.007 121 E CA 0.705 57.106 56.400 0.002 0.000 0.849 121 E CB -0.115 29.587 29.700 0.003 0.000 0.774 121 E HN 0.602 8.962 8.360 -0.000 0.000 0.506 122 E N 0.824 121.024 120.200 0.000 0.000 2.476 122 E HA 0.015 4.365 4.350 0.000 0.000 0.191 122 E C -0.257 176.341 176.600 -0.004 0.000 1.064 122 E CA -0.052 56.348 56.400 -0.001 0.000 0.866 122 E CB -0.055 29.646 29.700 0.001 0.000 0.952 122 E HN 0.254 8.614 8.360 -0.000 0.000 0.492 123 N N 1.005 119.701 118.700 -0.006 0.000 2.741 123 N HA -0.173 4.567 4.740 0.000 0.000 0.250 123 N C -0.847 174.658 175.510 -0.008 0.000 1.115 123 N CA 0.856 53.899 53.050 -0.012 0.000 0.724 123 N CB -1.089 37.388 38.487 -0.017 0.000 1.090 123 N HN 0.163 8.543 8.380 -0.000 0.000 0.558 124 K N 0.279 120.678 120.400 -0.002 0.000 2.183 124 K HA 0.352 4.672 4.320 0.000 0.000 0.274 124 K C -0.151 176.453 176.600 0.006 0.000 1.009 124 K CA -0.968 55.320 56.287 0.002 0.000 0.888 124 K CB 1.330 33.834 32.500 0.005 0.000 1.078 124 K HN -0.004 8.246 8.250 -0.000 0.000 0.459 125 L N 4.265 125.492 121.223 0.008 0.000 2.477 125 L HA -0.012 4.328 4.340 0.000 0.000 0.272 125 L C 0.743 177.628 176.870 0.025 0.000 1.157 125 L CA 0.290 55.138 54.840 0.014 0.000 0.889 125 L CB 0.103 42.169 42.059 0.012 0.000 1.158 125 L HN 0.952 9.182 8.230 -0.000 0.000 0.473 126 C N 1.969 121.289 119.300 0.034 0.000 3.188 126 C HA 0.516 4.976 4.460 0.000 0.000 0.315 126 C C 0.621 175.659 174.990 0.080 0.000 1.285 126 C CA -0.614 58.434 59.018 0.049 0.000 1.729 126 C CB -0.910 26.854 27.740 0.040 0.000 2.257 126 C HN 0.816 9.046 8.230 -0.000 0.000 0.645 127 C N 1.782 121.127 119.300 0.074 0.000 3.006 127 C HA 0.711 5.171 4.460 0.000 0.000 0.359 127 C C -0.925 174.097 174.990 0.053 0.000 1.103 127 C CA -0.059 59.014 59.018 0.092 0.000 1.286 127 C CB 0.874 28.707 27.740 0.154 0.000 1.694 127 C HN 0.877 9.107 8.230 -0.000 0.000 0.511 128 V N 3.034 122.964 119.914 0.027 0.000 2.604 128 V HA 0.969 5.089 4.120 0.000 0.000 0.305 128 V C -0.319 175.781 176.094 0.010 0.000 1.043 128 V CA -0.132 62.181 62.300 0.022 0.000 0.888 128 V CB 1.438 33.270 31.823 0.014 0.000 0.995 128 V HN 1.117 9.307 8.190 -0.000 0.000 0.429 129 S N 3.420 119.139 115.700 0.032 0.000 2.564 129 S HA 0.790 5.260 4.470 0.000 0.000 0.274 129 S C -1.011 173.624 174.600 0.058 0.000 1.124 129 S CA -0.893 57.326 58.200 0.032 0.000 0.869 129 S CB 2.304 65.529 63.200 0.042 0.000 1.105 129 S HN 1.105 9.415 8.310 -0.000 0.000 0.472 130 R N 2.114 122.647 120.500 0.055 0.000 2.575 130 R HA 0.725 5.065 4.340 0.000 0.000 0.293 130 R C -1.973 174.380 176.300 0.088 0.000 0.983 130 R CA -0.725 55.422 56.100 0.079 0.000 0.887 130 R CB 1.482 31.814 30.300 0.053 0.000 1.184 130 R HN 0.594 8.864 8.270 -0.000 0.000 0.445 131 L N 2.491 123.796 121.223 0.136 0.000 2.365 131 L HA 0.560 4.900 4.340 0.000 0.000 0.273 131 L C -1.221 175.747 176.870 0.163 0.000 1.000 131 L CA 0.061 54.982 54.840 0.134 0.000 0.819 131 L CB 2.498 44.640 42.059 0.138 0.000 1.284 131 L HN 0.611 8.841 8.230 -0.000 0.000 0.418 132 T N 6.154 120.777 114.554 0.115 0.000 2.770 132 T HA 0.623 4.973 4.350 0.000 0.000 0.283 132 T C -0.420 174.345 174.700 0.108 0.000 0.988 132 T CA -0.274 61.891 62.100 0.109 0.000 0.957 132 T CB 0.616 69.524 68.868 0.066 0.000 0.930 132 T HN 0.431 8.671 8.240 -0.000 0.000 0.443 133 L N 2.057 123.364 121.223 0.140 0.000 2.346 133 L HA 0.651 4.991 4.340 0.000 0.000 0.274 133 L C 0.403 177.328 176.870 0.093 0.000 1.007 133 L CA -0.974 53.937 54.840 0.118 0.000 0.818 133 L CB 2.019 44.176 42.059 0.163 0.000 1.284 133 L HN 0.524 8.754 8.230 -0.000 0.000 0.424 134 S N 1.391 117.130 115.700 0.065 0.000 2.480 134 S HA 0.511 4.981 4.470 0.000 0.000 0.286 134 S C -0.494 174.138 174.600 0.053 0.000 1.180 134 S CA -0.542 57.688 58.200 0.051 0.000 1.075 134 S CB 1.163 64.384 63.200 0.036 0.000 0.996 134 S HN 0.306 8.616 8.310 -0.000 0.000 0.487 135 V N 7.362 127.307 119.914 0.052 0.000 2.385 135 V HA 0.374 4.494 4.120 0.000 0.000 0.269 135 V C 0.251 176.366 176.094 0.035 0.000 1.043 135 V CA -0.503 61.827 62.300 0.051 0.000 0.906 135 V CB 0.272 32.128 31.823 0.055 0.000 0.995 135 V HN 0.782 8.972 8.190 -0.000 0.000 0.467 136 I N 1.910 122.498 120.570 0.030 0.000 2.493 136 I HA 0.607 4.777 4.170 0.000 0.000 0.298 136 I C -0.073 176.057 176.117 0.020 0.000 0.998 136 I CA -0.625 60.688 61.300 0.022 0.000 1.137 136 I CB 1.705 39.715 38.000 0.017 0.000 1.310 136 I HN 0.414 8.624 8.210 -0.000 0.000 0.445 137 N N 5.017 123.728 118.700 0.017 0.000 2.408 137 N HA 0.162 4.902 4.740 0.000 0.000 0.257 137 N C 0.358 175.875 175.510 0.012 0.000 1.064 137 N CA -0.423 52.637 53.050 0.015 0.000 0.952 137 N CB 1.482 39.978 38.487 0.014 0.000 1.093 137 N HN 0.668 9.048 8.380 -0.000 0.000 0.490 138 L N 5.388 126.617 121.223 0.011 0.000 2.642 138 L HA -0.018 4.322 4.340 0.000 0.000 0.236 138 L C 1.220 178.094 176.870 0.007 0.000 1.169 138 L CA 0.513 55.358 54.840 0.008 0.000 0.851 138 L CB -1.754 40.309 42.059 0.007 0.000 0.968 138 L HN 0.619 8.849 8.230 -0.000 0.000 0.453 139 L N 0.000 121.228 121.223 0.008 0.000 2.949 139 L HA 0.000 4.340 4.340 0.000 0.000 0.249 139 L CA 0.000 54.844 54.840 0.007 0.000 0.813 139 L CB 0.000 42.063 42.059 0.006 0.000 0.961 139 L HN 0.000 8.230 8.230 -0.000 0.000 0.502