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 1k1e_1_I DATA FIRST_RESID 4 DATA SEQUENCE KLENIKFVIT DVDGVLTDGQ LHYDANGEAI KSFHVRDGLG IKMLMDADIQ DATA SEQUENCE VAVLSGRDSP ILRRRIADLG IKLFFLGKLE KETACFDLMK QAGVTAEQTA DATA SEQUENCE YIGDDSVDLP AFAACGTSFA VADAPIYVKN AVDHVLSTHG GKGAFREMSD DATA SEQUENCE MILQAQGKSS VFDTAQGFLK SVKSMGQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4 K C 0.000 176.624 176.600 0.040 0.000 0.988 4 K CA 0.000 56.302 56.287 0.025 0.000 0.838 4 K CB 0.000 32.508 32.500 0.014 0.000 1.064 5 L N 1.848 123.095 121.223 0.040 0.000 2.275 5 L HA -0.038 4.303 4.340 0.002 0.000 0.215 5 L C 2.097 179.000 176.870 0.055 0.000 1.119 5 L CA 1.338 56.217 54.840 0.064 0.000 0.790 5 L CB -0.206 41.895 42.059 0.069 0.000 0.919 5 L HN 0.328 8.558 8.230 -0.000 0.000 0.443 6 E N 0.672 120.897 120.200 0.042 0.000 2.209 6 E HA -0.208 4.143 4.350 0.002 0.000 0.196 6 E C 1.081 177.708 176.600 0.045 0.000 0.993 6 E CA 1.044 57.467 56.400 0.039 0.000 0.819 6 E CB 0.221 29.939 29.700 0.029 0.000 0.745 6 E HN 0.484 8.844 8.360 -0.000 0.000 0.477 7 N N 0.355 119.085 118.700 0.051 0.000 2.270 7 N HA 0.058 4.799 4.740 0.002 0.000 0.198 7 N C -0.258 175.297 175.510 0.076 0.000 1.117 7 N CA 0.060 53.145 53.050 0.057 0.000 0.845 7 N CB 0.462 38.981 38.487 0.054 0.000 0.980 7 N HN 0.125 8.505 8.380 -0.000 0.000 0.486 8 I N 1.349 121.968 120.570 0.082 0.000 2.598 8 I HA -0.008 4.163 4.170 0.002 0.000 0.284 8 I C 1.160 177.346 176.117 0.116 0.000 1.140 8 I CA 0.413 61.776 61.300 0.105 0.000 1.420 8 I CB 0.765 38.823 38.000 0.097 0.000 1.387 8 I HN -0.144 8.066 8.210 -0.000 0.000 0.553 9 K N 5.763 126.257 120.400 0.156 0.000 2.438 9 K HA 0.243 4.564 4.320 0.002 0.000 0.206 9 K C -0.692 176.077 176.600 0.282 0.000 1.081 9 K CA -0.030 56.356 56.287 0.165 0.000 1.053 9 K CB 0.864 33.438 32.500 0.122 0.000 0.908 9 K HN 0.442 8.692 8.250 -0.000 0.000 0.556 10 F N 0.457 120.451 119.950 0.073 0.000 2.622 10 F HA 0.346 4.875 4.527 0.003 0.000 0.318 10 F C -1.748 174.110 175.800 0.095 0.000 1.135 10 F CA -1.443 56.608 58.000 0.085 0.000 1.015 10 F CB 1.271 40.323 39.000 0.087 0.000 1.275 10 F HN -0.342 7.958 8.300 -0.000 0.000 0.457 11 V N 7.183 127.007 119.914 -0.150 0.000 2.444 11 V HA 0.517 4.638 4.120 0.002 0.000 0.294 11 V C -0.150 175.694 176.094 -0.416 0.000 1.022 11 V CA -0.624 61.541 62.300 -0.225 0.000 0.850 11 V CB 1.729 33.529 31.823 -0.038 0.000 0.992 11 V HN 0.612 8.802 8.190 -0.000 0.000 0.426 12 I N 3.646 123.967 120.570 -0.414 0.000 2.377 12 I HA 0.525 4.696 4.170 0.002 0.000 0.293 12 I C 0.128 176.051 176.117 -0.323 0.000 0.987 12 I CA -0.121 60.981 61.300 -0.330 0.000 1.185 12 I CB 2.063 39.955 38.000 -0.180 0.000 1.341 12 I HN 0.591 8.801 8.210 -0.000 0.000 0.455 13 T N 3.717 118.142 114.554 -0.215 0.000 2.861 13 T HA 0.240 4.591 4.350 0.002 0.000 0.287 13 T C -0.642 173.932 174.700 -0.210 0.000 1.003 13 T CA -0.608 61.342 62.100 -0.249 0.000 0.977 13 T CB 1.363 70.292 68.868 0.101 0.000 0.996 13 T HN 0.655 8.895 8.240 -0.000 0.000 0.448 14 D N 2.525 122.759 120.400 -0.276 0.000 2.363 14 D HA 0.244 4.885 4.640 0.002 0.000 0.240 14 D C 0.965 177.283 176.300 0.029 0.000 1.236 14 D CA -0.184 53.801 54.000 -0.024 0.000 0.927 14 D CB 0.830 41.661 40.800 0.052 0.000 1.150 14 D HN 0.220 8.590 8.370 -0.000 0.000 0.458 15 V N 0.510 120.466 119.914 0.069 0.000 2.602 15 V HA 0.063 4.184 4.120 0.002 0.000 0.235 15 V C 0.256 176.391 176.094 0.067 0.000 1.087 15 V CA 0.581 62.937 62.300 0.093 0.000 1.117 15 V CB -0.327 31.570 31.823 0.124 0.000 0.820 15 V HN 0.596 8.786 8.190 -0.000 0.000 0.490 16 D N 0.909 121.336 120.400 0.047 0.000 2.383 16 D HA 0.370 5.011 4.640 0.002 0.000 0.252 16 D C 1.120 177.433 176.300 0.022 0.000 1.166 16 D CA 1.299 55.307 54.000 0.013 0.000 0.879 16 D CB 1.168 41.972 40.800 0.006 0.000 1.164 16 D HN 0.530 8.900 8.370 -0.000 0.000 0.462 17 G N 1.181 109.985 108.800 0.008 0.000 2.199 17 G HA2 -0.297 3.664 3.960 0.002 0.000 0.254 17 G HA3 -0.297 3.664 3.960 0.002 0.000 0.254 17 G C 0.797 175.717 174.900 0.035 0.000 0.982 17 G CA 0.348 45.458 45.100 0.017 0.000 0.632 17 G HN 0.472 8.762 8.290 -0.000 0.000 0.529 18 V N 0.226 120.170 119.914 0.051 0.000 3.097 18 V HA 0.328 4.449 4.120 0.002 0.000 0.223 18 V C 2.442 178.592 176.094 0.095 0.000 1.199 18 V CA 1.074 63.417 62.300 0.072 0.000 1.260 18 V CB -0.363 31.506 31.823 0.077 0.000 1.155 18 V HN 0.201 8.391 8.190 -0.000 0.000 0.509 19 L N 1.174 122.463 121.223 0.111 0.000 2.465 19 L HA 0.069 4.410 4.340 0.002 0.000 0.224 19 L C 1.083 178.020 176.870 0.111 0.000 1.145 19 L CA 1.198 56.133 54.840 0.158 0.000 0.834 19 L CB -0.562 41.639 42.059 0.237 0.000 0.944 19 L HN 0.614 8.844 8.230 -0.000 0.000 0.451 20 T N -5.214 109.350 114.554 0.016 0.000 2.907 20 T HA 0.215 4.567 4.350 0.002 0.000 0.290 20 T C 0.277 174.971 174.700 -0.011 0.000 1.066 20 T CA -0.615 61.445 62.100 -0.067 0.000 1.012 20 T CB 1.923 70.681 68.868 -0.183 0.000 1.184 20 T HN 0.091 8.331 8.240 -0.000 0.000 0.522 21 D N -0.807 119.591 120.400 -0.005 0.000 2.338 21 D HA 0.225 4.866 4.640 0.002 0.000 0.239 21 D C 1.591 177.887 176.300 -0.006 0.000 1.095 21 D CA 0.542 54.556 54.000 0.022 0.000 0.888 21 D CB -0.769 40.060 40.800 0.049 0.000 0.899 21 D HN 1.322 9.692 8.370 -0.000 0.000 0.525 22 G N -0.379 108.397 108.800 -0.041 0.000 2.195 22 G HA2 -0.302 3.659 3.960 0.002 0.000 0.246 22 G HA3 -0.302 3.659 3.960 0.002 0.000 0.246 22 G C 0.126 174.973 174.900 -0.088 0.000 0.984 22 G CA -0.005 45.066 45.100 -0.047 0.000 0.633 22 G HN 0.478 8.768 8.290 -0.000 0.000 0.525 23 Q N -0.271 119.442 119.800 -0.145 0.000 2.373 23 Q HA 0.597 4.938 4.340 0.002 0.000 0.255 23 Q C 0.130 175.903 176.000 -0.379 0.000 0.980 23 Q CA 0.123 55.776 55.803 -0.251 0.000 0.882 23 Q CB 1.007 29.549 28.738 -0.326 0.000 1.249 23 Q HN 0.411 8.681 8.270 -0.000 0.000 0.438 24 L N 3.682 124.747 121.223 -0.262 0.000 2.295 24 L HA 0.287 4.628 4.340 0.002 0.000 0.281 24 L C -0.596 176.252 176.870 -0.038 0.000 1.018 24 L CA -0.699 54.076 54.840 -0.107 0.000 0.841 24 L CB 0.700 42.851 42.059 0.152 0.000 1.218 24 L HN 0.525 8.755 8.230 -0.000 0.000 0.424 25 H N 3.558 122.695 119.070 0.112 0.000 2.911 25 H HA 0.206 4.763 4.556 0.001 0.000 0.273 25 H C -0.759 174.658 175.328 0.148 0.000 1.157 25 H CA -0.215 55.899 56.048 0.110 0.000 1.402 25 H CB 0.184 29.962 29.762 0.027 0.000 1.463 25 H HN 0.310 8.590 8.280 -0.000 0.000 0.475 26 Y N 2.622 122.971 120.300 0.081 0.000 2.320 26 Y HA 0.115 4.667 4.550 0.003 0.000 0.324 26 Y C 0.908 176.833 175.900 0.041 0.000 1.190 26 Y CA -0.463 57.664 58.100 0.045 0.000 1.215 26 Y CB 1.006 39.480 38.460 0.024 0.000 1.221 26 Y HN 0.621 8.901 8.280 -0.000 0.000 0.486 27 D N 0.037 120.525 120.400 0.147 0.000 2.712 27 D HA 0.419 5.060 4.640 0.002 0.000 0.252 27 D C 0.643 177.011 176.300 0.114 0.000 1.123 27 D CA -0.466 53.598 54.000 0.106 0.000 1.109 27 D CB 0.418 41.247 40.800 0.049 0.000 1.313 27 D HN 0.445 8.815 8.370 -0.000 0.000 0.629 28 A N -0.775 122.090 122.820 0.075 0.000 2.178 28 A HA -0.137 4.184 4.320 0.002 0.000 0.218 28 A C 0.966 178.583 177.584 0.055 0.000 1.157 28 A CA 1.202 53.282 52.037 0.072 0.000 0.689 28 A CB -1.118 17.909 19.000 0.045 0.000 0.787 28 A HN 0.596 8.746 8.150 -0.000 0.000 0.465 29 N N -1.084 117.628 118.700 0.020 0.000 2.275 29 N HA 0.435 5.176 4.740 0.002 0.000 0.236 29 N C 0.496 175.956 175.510 -0.083 0.000 1.154 29 N CA 0.419 53.461 53.050 -0.014 0.000 0.866 29 N CB 0.900 39.377 38.487 -0.016 0.000 1.093 29 N HN 0.587 8.967 8.380 -0.000 0.000 0.515 30 G N 0.795 109.496 108.800 -0.165 0.000 2.472 30 G HA2 -0.216 3.746 3.960 0.002 0.000 0.205 30 G HA3 -0.216 3.746 3.960 0.002 0.000 0.205 30 G C -1.046 173.475 174.900 -0.631 0.000 1.270 30 G CA -0.928 43.870 45.100 -0.504 0.000 0.974 30 G HN 0.224 8.514 8.290 -0.000 0.000 0.542 31 E N 0.629 120.461 120.200 -0.614 0.000 2.480 31 E HA 0.365 4.716 4.350 0.002 0.000 0.258 31 E C 1.080 177.586 176.600 -0.157 0.000 0.984 31 E CA 0.557 56.746 56.400 -0.351 0.000 0.930 31 E CB 1.003 30.569 29.700 -0.224 0.000 0.936 31 E HN 0.999 9.359 8.360 -0.000 0.000 0.466 32 A N 4.653 127.435 122.820 -0.064 0.000 2.192 32 A HA 0.257 4.579 4.320 0.002 0.000 0.208 32 A C 0.531 178.122 177.584 0.013 0.000 1.220 32 A CA 0.184 52.211 52.037 -0.017 0.000 0.900 32 A CB 0.639 19.642 19.000 0.005 0.000 0.937 32 A HN 0.533 8.683 8.150 -0.000 0.000 0.487 33 I N -0.042 120.557 120.570 0.049 0.000 2.692 33 I HA 0.293 4.464 4.170 0.002 0.000 0.293 33 I C -1.312 174.866 176.117 0.102 0.000 1.200 33 I CA -0.543 60.792 61.300 0.059 0.000 1.036 33 I CB 2.601 40.606 38.000 0.009 0.000 1.258 33 I HN -0.041 8.169 8.210 -0.000 0.000 0.421 34 K N 3.606 124.026 120.400 0.034 0.000 2.345 34 K HA 0.611 4.932 4.320 0.002 0.000 0.255 34 K C -1.145 175.283 176.600 -0.287 0.000 0.934 34 K CA -0.680 55.524 56.287 -0.139 0.000 0.801 34 K CB 2.292 34.666 32.500 -0.210 0.000 1.137 34 K HN 0.435 8.685 8.250 -0.000 0.000 0.424 35 S N 2.989 118.493 115.700 -0.326 0.000 2.438 35 S HA 0.457 4.928 4.470 0.002 0.000 0.316 35 S C -0.656 173.681 174.600 -0.437 0.000 1.084 35 S CA -0.708 57.349 58.200 -0.238 0.000 1.107 35 S CB 0.126 63.330 63.200 0.007 0.000 0.981 35 S HN 0.317 8.627 8.310 -0.000 0.000 0.466 36 F N 1.093 121.064 119.950 0.035 0.000 2.452 36 F HA 0.493 5.022 4.527 0.003 0.000 0.353 36 F C 0.672 176.503 175.800 0.051 0.000 1.089 36 F CA -0.998 57.022 58.000 0.035 0.000 1.080 36 F CB 0.697 39.693 39.000 -0.006 0.000 1.399 36 F HN 0.513 8.813 8.300 -0.000 0.000 0.492 37 H N -0.678 118.507 119.070 0.191 0.000 2.547 37 H HA 0.313 4.870 4.556 0.001 0.000 0.342 37 H C 0.436 175.806 175.328 0.071 0.000 1.048 37 H CA -0.524 55.583 56.048 0.098 0.000 1.204 37 H CB 1.896 31.702 29.762 0.073 0.000 1.493 37 H HN 0.457 8.737 8.280 -0.000 0.000 0.511 38 V N 5.519 125.347 119.914 -0.143 0.000 2.392 38 V HA -0.227 3.894 4.120 0.002 0.000 0.249 38 V C 1.919 178.079 176.094 0.110 0.000 1.059 38 V CA 2.125 64.406 62.300 -0.031 0.000 1.051 38 V CB -0.274 31.488 31.823 -0.102 0.000 0.658 38 V HN 0.821 9.011 8.190 -0.000 0.000 0.455 39 R N -0.566 120.132 120.500 0.330 0.000 2.148 39 R HA -0.075 4.266 4.340 0.002 0.000 0.223 39 R C 1.944 178.347 176.300 0.172 0.000 1.088 39 R CA 1.344 57.588 56.100 0.240 0.000 0.985 39 R CB -0.386 30.054 30.300 0.233 0.000 0.880 39 R HN 0.543 8.813 8.270 -0.000 0.000 0.451 40 D N 0.184 120.710 120.400 0.209 0.000 2.117 40 D HA -0.083 4.558 4.640 0.002 0.000 0.198 40 D C 1.941 178.233 176.300 -0.013 0.000 0.982 40 D CA 1.464 55.531 54.000 0.111 0.000 0.828 40 D CB -0.450 40.400 40.800 0.083 0.000 0.967 40 D HN 0.321 8.691 8.370 -0.000 0.000 0.464 41 G N 1.019 109.816 108.800 -0.005 0.000 2.440 41 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 41 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 41 G C 1.604 176.496 174.900 -0.013 0.000 1.154 41 G CA 0.583 45.645 45.100 -0.063 0.000 0.767 41 G HN 0.237 8.527 8.290 -0.000 0.000 0.552 42 L N 1.587 122.838 121.223 0.047 0.000 2.093 42 L HA 0.174 4.515 4.340 0.002 0.000 0.208 42 L C 2.794 179.727 176.870 0.104 0.000 1.085 42 L CA 2.191 57.084 54.840 0.088 0.000 0.755 42 L CB -0.973 41.156 42.059 0.116 0.000 0.904 42 L HN 0.165 8.395 8.230 -0.000 0.000 0.435 43 G N -0.312 108.553 108.800 0.108 0.000 2.422 43 G HA2 -0.251 3.710 3.960 0.002 0.000 0.218 43 G HA3 -0.251 3.710 3.960 0.002 0.000 0.218 43 G C 1.654 176.673 174.900 0.199 0.000 1.146 43 G CA 1.123 46.320 45.100 0.162 0.000 0.769 43 G HN 0.466 8.756 8.290 -0.000 0.000 0.547 44 I N 0.455 121.074 120.570 0.082 0.000 2.163 44 I HA -0.174 3.997 4.170 0.002 0.000 0.243 44 I C 2.684 178.830 176.117 0.048 0.000 1.085 44 I CA 1.142 62.441 61.300 -0.001 0.000 1.347 44 I CB -0.077 37.774 38.000 -0.249 0.000 1.044 44 I HN 0.025 8.235 8.210 -0.000 0.000 0.408 45 K N 0.359 120.779 120.400 0.033 0.000 2.097 45 K HA -0.111 4.210 4.320 0.002 0.000 0.206 45 K C 2.011 178.652 176.600 0.069 0.000 1.049 45 K CA 1.527 57.839 56.287 0.041 0.000 0.933 45 K CB -0.445 32.075 32.500 0.034 0.000 0.717 45 K HN 0.388 8.638 8.250 -0.000 0.000 0.442 46 M N 0.447 120.111 119.600 0.107 0.000 2.117 46 M HA -0.120 4.361 4.480 0.002 0.000 0.262 46 M C 2.213 178.584 176.300 0.118 0.000 1.065 46 M CA 1.385 56.761 55.300 0.127 0.000 1.114 46 M CB -0.351 32.363 32.600 0.190 0.000 1.361 46 M HN 0.009 8.299 8.290 -0.000 0.000 0.408 47 L N -0.515 120.787 121.223 0.132 0.000 2.027 47 L HA -0.212 4.129 4.340 0.002 0.000 0.206 47 L C 2.555 179.489 176.870 0.106 0.000 1.074 47 L CA 1.304 56.220 54.840 0.127 0.000 0.745 47 L CB -0.534 41.621 42.059 0.161 0.000 0.898 47 L HN 0.344 8.574 8.230 -0.000 0.000 0.433 48 M N -0.338 119.320 119.600 0.097 0.000 2.108 48 M HA -0.266 4.215 4.480 0.002 0.000 0.261 48 M C 1.897 178.231 176.300 0.057 0.000 1.066 48 M CA 2.066 57.413 55.300 0.078 0.000 1.107 48 M CB -0.572 32.065 32.600 0.061 0.000 1.356 48 M HN 0.221 8.511 8.290 -0.000 0.000 0.406 49 D N 0.304 120.732 120.400 0.047 0.000 2.263 49 D HA -0.090 4.551 4.640 0.002 0.000 0.208 49 D C 1.336 177.655 176.300 0.031 0.000 0.971 49 D CA 1.273 55.289 54.000 0.027 0.000 0.867 49 D CB 0.178 40.985 40.800 0.011 0.000 0.929 49 D HN 0.316 8.686 8.370 -0.000 0.000 0.492 50 A N -0.288 122.562 122.820 0.050 0.000 2.370 50 A HA 0.229 4.550 4.320 0.002 0.000 0.238 50 A C 0.734 178.349 177.584 0.052 0.000 1.289 50 A CA 0.527 52.593 52.037 0.049 0.000 0.885 50 A CB -0.074 18.965 19.000 0.064 0.000 0.961 50 A HN 0.206 8.356 8.150 -0.000 0.000 0.499 51 D N -1.582 118.849 120.400 0.052 0.000 3.076 51 D HA -0.153 4.488 4.640 0.002 0.000 0.218 51 D C -0.379 175.967 176.300 0.077 0.000 1.156 51 D CA 0.915 54.947 54.000 0.053 0.000 0.921 51 D CB -1.667 39.156 40.800 0.039 0.000 1.113 51 D HN 0.529 8.899 8.370 -0.000 0.000 0.418 52 I N 1.618 122.248 120.570 0.100 0.000 2.307 52 I HA 0.173 4.344 4.170 0.002 0.000 0.289 52 I C 1.043 177.270 176.117 0.183 0.000 1.021 52 I CA -0.551 60.833 61.300 0.140 0.000 1.224 52 I CB 1.095 39.172 38.000 0.127 0.000 1.376 52 I HN -0.058 8.152 8.210 -0.000 0.000 0.470 53 Q N 4.184 124.132 119.800 0.246 0.000 2.417 53 Q HA 0.457 4.798 4.340 0.002 0.000 0.241 53 Q C -0.830 175.416 176.000 0.409 0.000 1.008 53 Q CA -0.322 55.662 55.803 0.302 0.000 0.901 53 Q CB 1.740 30.636 28.738 0.263 0.000 1.259 53 Q HN 0.412 8.682 8.270 -0.000 0.000 0.489 54 V N 0.629 120.735 119.914 0.319 0.000 2.588 54 V HA 0.751 4.873 4.120 0.002 0.000 0.304 54 V C -0.798 175.440 176.094 0.240 0.000 1.042 54 V CA -0.660 61.768 62.300 0.214 0.000 0.877 54 V CB 1.629 33.530 31.823 0.131 0.000 0.996 54 V HN 0.863 9.053 8.190 -0.000 0.000 0.425 55 A N 3.940 126.835 122.820 0.126 0.000 2.384 55 A HA 0.960 5.281 4.320 0.002 0.000 0.312 55 A C -1.138 176.510 177.584 0.107 0.000 1.113 55 A CA -0.671 51.486 52.037 0.200 0.000 0.779 55 A CB 2.074 21.262 19.000 0.313 0.000 1.307 55 A HN 0.636 8.786 8.150 -0.000 0.000 0.436 56 V N 1.084 121.111 119.914 0.189 0.000 2.555 56 V HA 0.560 4.681 4.120 0.002 0.000 0.302 56 V C -1.114 175.107 176.094 0.212 0.000 1.038 56 V CA -0.432 61.949 62.300 0.134 0.000 0.887 56 V CB 1.446 33.322 31.823 0.089 0.000 0.991 56 V HN 0.773 8.963 8.190 -0.000 0.000 0.434 57 L N 4.876 126.197 121.223 0.164 0.000 2.427 57 L HA 0.749 5.090 4.340 0.002 0.000 0.264 57 L C -0.451 176.520 176.870 0.169 0.000 0.989 57 L CA 0.389 55.356 54.840 0.212 0.000 0.865 57 L CB 1.515 43.712 42.059 0.228 0.000 1.209 57 L HN 0.653 8.883 8.230 -0.000 0.000 0.430 58 S N 2.151 117.955 115.700 0.173 0.000 2.536 58 S HA 0.675 5.147 4.470 0.002 0.000 0.287 58 S C 0.971 175.646 174.600 0.125 0.000 1.101 58 S CA -0.029 58.249 58.200 0.130 0.000 0.950 58 S CB 1.622 64.890 63.200 0.114 0.000 1.056 58 S HN 0.826 9.136 8.310 -0.000 0.000 0.481 59 G N 2.719 111.573 108.800 0.090 0.000 2.679 59 G HA2 0.140 4.101 3.960 0.002 0.000 0.212 59 G HA3 0.140 4.101 3.960 0.002 0.000 0.212 59 G C 0.362 175.309 174.900 0.079 0.000 1.137 59 G CA 0.240 45.386 45.100 0.077 0.000 0.787 59 G HN 0.586 8.876 8.290 -0.000 0.000 0.534 60 R N -0.516 120.032 120.500 0.079 0.000 2.803 60 R HA 0.585 4.926 4.340 0.002 0.000 0.276 60 R C -1.586 174.756 176.300 0.070 0.000 0.978 60 R CA -0.733 55.406 56.100 0.065 0.000 0.939 60 R CB 1.743 32.070 30.300 0.045 0.000 1.179 60 R HN 0.002 8.272 8.270 -0.000 0.000 0.472 61 D N 0.142 120.575 120.400 0.055 0.000 2.575 61 D HA 0.599 5.240 4.640 0.002 0.000 0.236 61 D C -1.397 174.915 176.300 0.021 0.000 1.075 61 D CA -0.232 53.797 54.000 0.049 0.000 0.860 61 D CB 1.768 42.607 40.800 0.065 0.000 1.475 61 D HN 0.477 8.847 8.370 -0.000 0.000 0.474 62 S N 1.789 117.494 115.700 0.007 0.000 2.552 62 S HA 0.501 4.972 4.470 0.002 0.000 0.272 62 S C -2.574 172.019 174.600 -0.013 0.000 1.150 62 S CA -0.921 57.277 58.200 -0.004 0.000 0.849 62 S CB 2.029 65.226 63.200 -0.005 0.000 1.113 62 S HN 0.215 8.525 8.310 -0.000 0.000 0.458 63 P HA 0.161 4.581 4.420 -0.000 0.000 0.225 63 P C 1.445 178.734 177.300 -0.018 0.000 1.156 63 P CA 0.494 63.581 63.100 -0.022 0.000 0.787 63 P CB -0.160 31.531 31.700 -0.016 0.000 0.802 64 I N -0.671 119.903 120.570 0.007 0.000 2.142 64 I HA -0.218 3.953 4.170 0.002 0.000 0.240 64 I C 2.346 178.499 176.117 0.060 0.000 1.078 64 I CA 1.084 62.410 61.300 0.043 0.000 1.343 64 I CB -0.836 37.208 38.000 0.072 0.000 1.046 64 I HN -0.070 8.140 8.210 -0.000 0.000 0.405 65 L N 1.248 122.512 121.223 0.068 0.000 2.083 65 L HA -0.169 4.172 4.340 0.002 0.000 0.209 65 L C 2.566 179.362 176.870 -0.123 0.000 1.083 65 L CA 1.756 56.627 54.840 0.052 0.000 0.752 65 L CB -0.658 41.440 42.059 0.065 0.000 0.899 65 L HN 0.057 8.287 8.230 -0.000 0.000 0.433 66 R N -0.989 119.429 120.500 -0.137 0.000 2.152 66 R HA -0.162 4.179 4.340 0.002 0.000 0.232 66 R C 2.325 178.507 176.300 -0.196 0.000 1.117 66 R CA 1.073 57.035 56.100 -0.230 0.000 0.981 66 R CB -0.305 29.889 30.300 -0.176 0.000 0.870 66 R HN 0.238 8.508 8.270 -0.000 0.000 0.451 67 R N 1.086 121.509 120.500 -0.128 0.000 2.073 67 R HA -0.085 4.256 4.340 0.002 0.000 0.229 67 R C 2.008 178.206 176.300 -0.170 0.000 1.120 67 R CA 1.497 57.530 56.100 -0.112 0.000 0.967 67 R CB -0.319 29.947 30.300 -0.058 0.000 0.862 67 R HN -0.071 8.199 8.270 -0.000 0.000 0.436 68 R N 0.519 120.874 120.500 -0.243 0.000 2.081 68 R HA 0.065 4.406 4.340 0.002 0.000 0.235 68 R C 2.120 178.188 176.300 -0.386 0.000 1.131 68 R CA 1.767 57.608 56.100 -0.433 0.000 0.960 68 R CB -0.764 28.947 30.300 -0.982 0.000 0.856 68 R HN 0.392 8.662 8.270 -0.000 0.000 0.436 69 I N 0.295 120.653 120.570 -0.354 0.000 2.179 69 I HA -0.260 3.911 4.170 0.002 0.000 0.242 69 I C 2.284 178.275 176.117 -0.209 0.000 1.088 69 I CA 1.456 62.569 61.300 -0.312 0.000 1.357 69 I CB -0.457 37.271 38.000 -0.453 0.000 1.051 69 I HN 0.313 8.523 8.210 -0.000 0.000 0.409 70 A N 0.438 123.145 122.820 -0.188 0.000 1.902 70 A HA -0.253 4.069 4.320 0.002 0.000 0.217 70 A C 1.928 179.454 177.584 -0.097 0.000 1.181 70 A CA 2.146 54.118 52.037 -0.108 0.000 0.623 70 A CB -0.651 18.296 19.000 -0.089 0.000 0.818 70 A HN 0.344 8.494 8.150 -0.000 0.000 0.443 71 D N -0.057 120.269 120.400 -0.123 0.000 2.182 71 D HA -0.104 4.537 4.640 0.002 0.000 0.201 71 D C 1.654 177.893 176.300 -0.101 0.000 0.986 71 D CA 1.005 54.943 54.000 -0.104 0.000 0.847 71 D CB -0.260 40.468 40.800 -0.119 0.000 0.942 71 D HN 0.472 8.842 8.370 -0.000 0.000 0.467 72 L N -0.889 120.254 121.223 -0.135 0.000 2.554 72 L HA 0.175 4.516 4.340 0.002 0.000 0.226 72 L C 1.457 178.285 176.870 -0.069 0.000 1.137 72 L CA 0.389 55.159 54.840 -0.117 0.000 0.863 72 L CB -0.060 41.896 42.059 -0.173 0.000 0.985 72 L HN 0.112 8.341 8.230 -0.000 0.000 0.451 73 G N 0.976 109.744 108.800 -0.054 0.000 2.147 73 G HA2 -0.286 3.675 3.960 0.002 0.000 0.244 73 G HA3 -0.286 3.675 3.960 0.002 0.000 0.244 73 G C 0.224 175.132 174.900 0.014 0.000 1.005 73 G CA -0.239 44.852 45.100 -0.014 0.000 0.713 73 G HN 0.288 8.578 8.290 -0.000 0.000 0.515 74 I N 0.204 120.777 120.570 0.005 0.000 2.471 74 I HA 0.184 4.355 4.170 0.002 0.000 0.286 74 I C 1.451 177.677 176.117 0.182 0.000 1.079 74 I CA 0.308 61.651 61.300 0.071 0.000 1.398 74 I CB 1.348 39.362 38.000 0.023 0.000 1.403 74 I HN 0.187 8.397 8.210 -0.000 0.000 0.530 75 K N 5.624 126.139 120.400 0.193 0.000 2.308 75 K HA 0.169 4.490 4.320 0.002 0.000 0.197 75 K C -0.219 176.474 176.600 0.154 0.000 1.049 75 K CA 0.422 56.819 56.287 0.184 0.000 0.991 75 K CB 0.408 32.961 32.500 0.087 0.000 0.836 75 K HN 0.353 8.603 8.250 -0.000 0.000 0.500 76 L N 1.862 123.208 121.223 0.205 0.000 2.313 76 L HA 0.448 4.789 4.340 0.002 0.000 0.283 76 L C -0.819 176.221 176.870 0.284 0.000 1.013 76 L CA -0.647 54.250 54.840 0.096 0.000 0.816 76 L CB 1.229 43.405 42.059 0.195 0.000 1.236 76 L HN 0.098 8.328 8.230 -0.000 0.000 0.419 77 F N 0.968 120.984 119.950 0.109 0.000 2.703 77 F HA 0.640 5.168 4.527 0.002 0.000 0.308 77 F C -1.486 174.395 175.800 0.135 0.000 1.126 77 F CA -1.339 56.737 58.000 0.126 0.000 0.959 77 F CB 1.435 40.476 39.000 0.068 0.000 1.297 77 F HN 0.190 8.490 8.300 -0.000 0.000 0.441 78 F N 3.424 123.534 119.950 0.266 0.000 2.553 78 F HA 0.704 5.232 4.527 0.002 0.000 0.335 78 F C -1.513 174.406 175.800 0.198 0.000 1.148 78 F CA -0.664 57.440 58.000 0.174 0.000 0.963 78 F CB 1.186 40.259 39.000 0.121 0.000 1.217 78 F HN 0.458 8.758 8.300 -0.000 0.000 0.441 79 L N 4.473 125.948 121.223 0.420 0.000 2.346 79 L HA 0.658 4.999 4.340 0.002 0.000 0.274 79 L C 0.766 177.792 176.870 0.260 0.000 1.007 79 L CA -0.632 54.387 54.840 0.298 0.000 0.818 79 L CB 1.872 44.060 42.059 0.216 0.000 1.284 79 L HN 0.846 9.076 8.230 -0.000 0.000 0.424 80 G N 1.528 110.445 108.800 0.196 0.000 2.157 80 G HA2 -0.262 3.699 3.960 0.002 0.000 0.248 80 G HA3 -0.262 3.699 3.960 0.002 0.000 0.248 80 G C 0.024 175.020 174.900 0.162 0.000 0.979 80 G CA -0.013 45.179 45.100 0.153 0.000 0.650 80 G HN 0.565 8.855 8.290 -0.000 0.000 0.529 81 K N 0.459 120.973 120.400 0.190 0.000 2.339 81 K HA 0.667 4.988 4.320 0.002 0.000 0.264 81 K C 1.429 178.048 176.600 0.031 0.000 0.986 81 K CA -0.926 55.427 56.287 0.111 0.000 0.866 81 K CB 0.569 33.107 32.500 0.063 0.000 1.103 81 K HN 0.075 8.325 8.250 -0.000 0.000 0.441 82 L N 1.912 123.145 121.223 0.016 0.000 2.418 82 L HA 0.089 4.430 4.340 0.002 0.000 0.218 82 L C 0.978 177.822 176.870 -0.042 0.000 1.125 82 L CA 0.474 55.312 54.840 -0.004 0.000 0.835 82 L CB 0.054 42.117 42.059 0.006 0.000 0.953 82 L HN 0.614 8.844 8.230 -0.000 0.000 0.454 83 E N 1.695 121.858 120.200 -0.062 0.000 2.001 83 E HA 0.059 4.410 4.350 0.002 0.000 0.279 83 E C 0.110 176.622 176.600 -0.148 0.000 1.045 83 E CA -0.037 56.311 56.400 -0.088 0.000 0.833 83 E CB 0.962 30.623 29.700 -0.066 0.000 1.077 83 E HN 0.255 8.615 8.360 -0.000 0.000 0.397 84 K N 2.999 123.301 120.400 -0.163 0.000 2.361 84 K HA -0.034 4.287 4.320 0.002 0.000 0.196 84 K C 1.599 178.051 176.600 -0.247 0.000 1.039 84 K CA 0.179 56.337 56.287 -0.215 0.000 1.001 84 K CB 0.408 32.774 32.500 -0.223 0.000 0.795 84 K HN 0.493 8.743 8.250 -0.000 0.000 0.495 85 E N 1.174 121.255 120.200 -0.199 0.000 2.031 85 E HA -0.200 4.151 4.350 0.002 0.000 0.193 85 E C 1.814 178.358 176.600 -0.094 0.000 0.994 85 E CA 2.101 58.395 56.400 -0.176 0.000 0.800 85 E CB 0.047 29.716 29.700 -0.052 0.000 0.752 85 E HN 0.328 8.688 8.360 -0.000 0.000 0.447 86 T N -1.035 113.511 114.554 -0.012 0.000 2.788 86 T HA -0.064 4.287 4.350 0.002 0.000 0.268 86 T C 2.019 176.700 174.700 -0.032 0.000 1.044 86 T CA 1.314 63.461 62.100 0.077 0.000 1.139 86 T CB -0.466 68.415 68.868 0.021 0.000 0.867 86 T HN 0.245 8.485 8.240 -0.000 0.000 0.454 87 A N 0.583 123.238 122.820 -0.276 0.000 1.933 87 A HA -0.024 4.297 4.320 0.002 0.000 0.218 87 A C 2.787 180.293 177.584 -0.131 0.000 1.175 87 A CA 1.409 53.157 52.037 -0.481 0.000 0.628 87 A CB -1.505 16.986 19.000 -0.848 0.000 0.814 87 A HN 0.701 8.851 8.150 -0.000 0.000 0.444 88 C N -1.661 117.536 119.300 -0.172 0.000 2.413 88 C HA -0.119 4.342 4.460 0.002 0.000 0.277 88 C C 2.416 177.364 174.990 -0.070 0.000 1.228 88 C CA 1.084 60.002 59.018 -0.166 0.000 1.731 88 C CB -1.687 25.795 27.740 -0.431 0.000 2.042 88 C HN 0.647 8.877 8.230 -0.000 0.000 0.468 89 F N 1.265 121.250 119.950 0.059 0.000 2.171 89 F HA -0.104 4.424 4.527 0.002 0.000 0.300 89 F C 2.157 178.023 175.800 0.111 0.000 1.090 89 F CA 1.646 59.696 58.000 0.083 0.000 1.293 89 F CB -0.896 38.130 39.000 0.043 0.000 1.013 89 F HN 0.242 8.542 8.300 -0.000 0.000 0.486 90 D N 0.203 120.778 120.400 0.293 0.000 2.117 90 D HA -0.141 4.500 4.640 0.002 0.000 0.197 90 D C 2.505 178.965 176.300 0.267 0.000 0.987 90 D CA 1.085 55.248 54.000 0.271 0.000 0.829 90 D CB -0.549 40.470 40.800 0.365 0.000 0.961 90 D HN 0.219 8.589 8.370 -0.000 0.000 0.460 91 L N -0.075 121.339 121.223 0.318 0.000 2.093 91 L HA -0.125 4.217 4.340 0.002 0.000 0.208 91 L C 2.515 179.577 176.870 0.319 0.000 1.085 91 L CA 0.782 55.848 54.840 0.377 0.000 0.755 91 L CB -0.266 42.087 42.059 0.490 0.000 0.904 91 L HN 0.037 8.267 8.230 -0.000 0.000 0.435 92 M N -0.588 119.232 119.600 0.366 0.000 2.159 92 M HA -0.242 4.239 4.480 0.002 0.000 0.263 92 M C 2.310 178.629 176.300 0.031 0.000 1.063 92 M CA 1.676 57.112 55.300 0.226 0.000 1.110 92 M CB -0.316 32.467 32.600 0.306 0.000 1.374 92 M HN 0.078 8.368 8.290 -0.000 0.000 0.411 93 K N 0.520 120.978 120.400 0.097 0.000 2.026 93 K HA -0.190 4.131 4.320 0.002 0.000 0.208 93 K C 1.964 178.550 176.600 -0.023 0.000 1.048 93 K CA 1.547 57.861 56.287 0.044 0.000 0.929 93 K CB -0.010 32.535 32.500 0.075 0.000 0.713 93 K HN 0.365 8.615 8.250 -0.000 0.000 0.439 94 Q N -0.532 119.256 119.800 -0.021 0.000 2.181 94 Q HA -0.139 4.202 4.340 0.002 0.000 0.205 94 Q C 1.904 177.805 176.000 -0.166 0.000 0.980 94 Q CA 1.483 57.244 55.803 -0.070 0.000 0.862 94 Q CB -0.097 28.615 28.738 -0.042 0.000 0.905 94 Q HN 0.418 8.688 8.270 -0.000 0.000 0.429 95 A N -0.004 122.615 122.820 -0.334 0.000 2.169 95 A HA 0.241 4.562 4.320 0.002 0.000 0.212 95 A C 1.526 178.925 177.584 -0.307 0.000 1.153 95 A CA 0.772 52.495 52.037 -0.525 0.000 0.756 95 A CB -0.298 17.802 19.000 -1.501 0.000 0.813 95 A HN 0.458 8.608 8.150 -0.000 0.000 0.471 96 G N -0.933 107.753 108.800 -0.189 0.000 2.176 96 G HA2 -0.092 3.869 3.960 0.002 0.000 0.252 96 G HA3 -0.092 3.869 3.960 0.002 0.000 0.252 96 G C 0.257 175.113 174.900 -0.074 0.000 1.024 96 G CA 0.768 45.808 45.100 -0.099 0.000 0.755 96 G HN 1.759 10.049 8.290 -0.000 0.000 0.507 97 V N -3.147 116.718 119.914 -0.081 0.000 3.113 97 V HA 0.988 5.109 4.120 0.002 0.000 0.316 97 V C 0.563 176.704 176.094 0.078 0.000 1.125 97 V CA -0.033 62.271 62.300 0.006 0.000 1.026 97 V CB 1.607 33.447 31.823 0.028 0.000 1.080 97 V HN 1.077 9.267 8.190 -0.000 0.000 0.444 98 T N -1.325 113.293 114.554 0.108 0.000 2.862 98 T HA 0.702 5.053 4.350 0.002 0.000 0.276 98 T C 1.207 176.019 174.700 0.186 0.000 0.974 98 T CA -0.006 62.178 62.100 0.139 0.000 0.966 98 T CB 1.427 70.360 68.868 0.109 0.000 1.072 98 T HN 1.489 9.729 8.240 -0.000 0.000 0.538 99 A N 0.166 123.112 122.820 0.211 0.000 1.969 99 A HA 0.003 4.324 4.320 0.002 0.000 0.218 99 A C 2.037 179.712 177.584 0.151 0.000 1.169 99 A CA 1.280 53.436 52.037 0.199 0.000 0.635 99 A CB -1.016 18.135 19.000 0.251 0.000 0.810 99 A HN 0.883 9.033 8.150 -0.000 0.000 0.445 100 E N 0.068 120.347 120.200 0.132 0.000 2.333 100 E HA -0.140 4.211 4.350 0.002 0.000 0.198 100 E C 1.688 178.352 176.600 0.107 0.000 1.007 100 E CA 1.076 57.538 56.400 0.103 0.000 0.845 100 E CB -0.164 29.585 29.700 0.083 0.000 0.766 100 E HN 0.760 9.120 8.360 -0.000 0.000 0.507 101 Q N -0.417 119.462 119.800 0.131 0.000 2.319 101 Q HA 0.146 4.488 4.340 0.002 0.000 0.202 101 Q C -0.349 175.764 176.000 0.188 0.000 0.896 101 Q CA 0.257 56.145 55.803 0.141 0.000 0.942 101 Q CB 0.959 29.778 28.738 0.136 0.000 1.083 101 Q HN 0.048 8.318 8.270 -0.000 0.000 0.510 102 T N 0.431 115.100 114.554 0.192 0.000 2.856 102 T HA 0.686 5.037 4.350 0.002 0.000 0.283 102 T C -0.769 174.014 174.700 0.138 0.000 1.008 102 T CA -0.630 61.589 62.100 0.199 0.000 0.997 102 T CB 1.796 70.816 68.868 0.253 0.000 0.992 102 T HN 0.110 8.350 8.240 -0.000 0.000 0.454 103 A N 2.228 125.112 122.820 0.108 0.000 2.355 103 A HA 0.816 5.137 4.320 0.002 0.000 0.324 103 A C -1.710 175.972 177.584 0.164 0.000 1.117 103 A CA -0.705 51.436 52.037 0.173 0.000 0.785 103 A CB 1.130 20.257 19.000 0.213 0.000 1.254 103 A HN 0.838 8.988 8.150 -0.000 0.000 0.453 104 Y N 0.720 121.109 120.300 0.148 0.000 2.499 104 Y HA 0.713 5.263 4.550 0.001 0.000 0.347 104 Y C -0.905 175.152 175.900 0.263 0.000 0.987 104 Y CA -0.962 57.228 58.100 0.150 0.000 1.044 104 Y CB 1.723 40.298 38.460 0.191 0.000 1.245 104 Y HN 0.734 9.014 8.280 -0.000 0.000 0.461 105 I N 4.725 125.121 120.570 -0.290 0.000 2.499 105 I HA 0.809 4.980 4.170 0.002 0.000 0.288 105 I C -0.838 175.269 176.117 -0.017 0.000 1.048 105 I CA -0.269 61.038 61.300 0.011 0.000 1.062 105 I CB 1.275 39.215 38.000 -0.101 0.000 1.238 105 I HN 0.785 8.995 8.210 -0.000 0.000 0.426 106 G N 4.408 113.470 108.800 0.437 0.000 2.766 106 G HA2 0.395 4.356 3.960 0.002 0.000 0.288 106 G HA3 0.395 4.356 3.960 0.002 0.000 0.288 106 G C -0.835 174.278 174.900 0.355 0.000 1.408 106 G CA -0.126 45.249 45.100 0.457 0.000 0.852 106 G HN 0.623 8.913 8.290 -0.000 0.000 0.487 107 D N -1.588 118.957 120.400 0.243 0.000 2.510 107 D HA 0.183 4.824 4.640 0.002 0.000 0.234 107 D C -0.483 175.882 176.300 0.109 0.000 1.178 107 D CA 0.140 54.225 54.000 0.142 0.000 0.816 107 D CB 1.230 42.070 40.800 0.067 0.000 1.143 107 D HN 0.249 8.619 8.370 -0.000 0.000 0.526 108 D N -0.872 119.604 120.400 0.128 0.000 2.664 108 D HA 0.297 4.938 4.640 0.002 0.000 0.292 108 D C 0.750 177.109 176.300 0.099 0.000 1.214 108 D CA -0.425 53.635 54.000 0.099 0.000 0.932 108 D CB 1.980 42.825 40.800 0.075 0.000 1.420 108 D HN -0.264 8.106 8.370 -0.000 0.000 0.471 109 S N -0.722 115.071 115.700 0.153 0.000 2.402 109 S HA -0.125 4.346 4.470 0.002 0.000 0.233 109 S C 1.943 176.538 174.600 -0.009 0.000 1.030 109 S CA 1.214 59.487 58.200 0.122 0.000 1.003 109 S CB -0.144 63.129 63.200 0.123 0.000 0.813 109 S HN 0.424 8.734 8.310 -0.000 0.000 0.477 110 V N 2.124 122.024 119.914 -0.023 0.000 2.720 110 V HA -0.133 3.988 4.120 0.002 0.000 0.256 110 V C 1.575 177.562 176.094 -0.179 0.000 1.082 110 V CA 1.426 63.683 62.300 -0.072 0.000 1.101 110 V CB -0.544 31.262 31.823 -0.029 0.000 0.693 110 V HN 0.459 8.649 8.190 -0.000 0.000 0.479 111 D N -0.211 120.035 120.400 -0.256 0.000 2.349 111 D HA 0.085 4.726 4.640 0.002 0.000 0.215 111 D C 2.072 177.734 176.300 -1.064 0.000 1.016 111 D CA 0.275 53.907 54.000 -0.614 0.000 0.870 111 D CB 0.308 40.806 40.800 -0.504 0.000 0.917 111 D HN 0.367 8.737 8.370 -0.000 0.000 0.524 112 L N 1.077 121.958 121.223 -0.570 0.000 2.043 112 L HA -0.168 4.173 4.340 0.002 0.000 0.212 112 L C -0.404 176.274 176.870 -0.319 0.000 1.075 112 L CA 1.573 56.209 54.840 -0.341 0.000 0.752 112 L CB -1.690 40.340 42.059 -0.050 0.000 0.891 112 L HN 0.041 8.271 8.230 -0.000 0.000 0.432 113 P HA -0.106 4.314 4.420 -0.000 0.000 0.221 113 P C 1.390 178.474 177.300 -0.360 0.000 1.150 113 P CA 1.478 64.433 63.100 -0.242 0.000 0.800 113 P CB 0.033 31.616 31.700 -0.195 0.000 0.787 114 A N -1.107 121.337 122.820 -0.627 0.000 1.898 114 A HA -0.128 4.194 4.320 0.002 0.000 0.216 114 A C 2.043 179.252 177.584 -0.625 0.000 1.181 114 A CA 1.135 52.638 52.037 -0.890 0.000 0.620 114 A CB -1.730 16.234 19.000 -1.726 0.000 0.819 114 A HN 0.116 8.266 8.150 -0.000 0.000 0.442 115 F N 0.234 119.936 119.950 -0.413 0.000 2.095 115 F HA -0.209 4.318 4.527 0.001 0.000 0.298 115 F C 2.901 178.618 175.800 -0.139 0.000 1.104 115 F CA 0.587 58.476 58.000 -0.184 0.000 1.232 115 F CB -0.246 38.702 39.000 -0.087 0.000 0.987 115 F HN 0.304 8.604 8.300 -0.000 0.000 0.475 116 A N 0.198 123.046 122.820 0.046 0.000 1.933 116 A HA -0.106 4.216 4.320 0.002 0.000 0.218 116 A C 2.293 179.871 177.584 -0.010 0.000 1.175 116 A CA 1.685 53.736 52.037 0.023 0.000 0.628 116 A CB -1.025 17.980 19.000 0.009 0.000 0.814 116 A HN 0.343 8.493 8.150 -0.000 0.000 0.444 117 A N -1.651 121.086 122.820 -0.137 0.000 1.970 117 A HA 0.131 4.452 4.320 0.002 0.000 0.216 117 A C 1.263 178.705 177.584 -0.236 0.000 1.170 117 A CA 0.773 52.631 52.037 -0.298 0.000 0.645 117 A CB -0.717 17.833 19.000 -0.750 0.000 0.816 117 A HN 0.499 8.649 8.150 -0.000 0.000 0.447 118 C N -1.062 118.161 119.300 -0.128 0.000 2.459 118 C HA 0.513 4.974 4.460 0.002 0.000 0.374 118 C C 2.268 177.291 174.990 0.055 0.000 1.241 118 C CA -0.079 58.937 59.018 -0.004 0.000 2.352 118 C CB 0.794 28.585 27.740 0.084 0.000 2.490 118 C HN 0.603 8.833 8.230 -0.000 0.000 0.583 119 G N 1.481 110.329 108.800 0.080 0.000 2.408 119 G HA2 0.043 4.004 3.960 0.002 0.000 0.217 119 G HA3 0.043 4.004 3.960 0.002 0.000 0.217 119 G C 0.480 175.408 174.900 0.046 0.000 1.150 119 G CA 0.970 46.113 45.100 0.072 0.000 0.776 119 G HN 0.677 8.967 8.290 -0.000 0.000 0.542 120 T N -0.290 114.300 114.554 0.060 0.000 2.876 120 T HA 0.579 4.930 4.350 0.002 0.000 0.289 120 T C -0.622 174.096 174.700 0.029 0.000 1.014 120 T CA -0.308 61.793 62.100 0.002 0.000 0.986 120 T CB 2.022 70.915 68.868 0.042 0.000 1.021 120 T HN 0.362 8.602 8.240 -0.000 0.000 0.458 121 S N 1.515 117.124 115.700 -0.151 0.000 2.549 121 S HA 0.876 5.347 4.470 0.002 0.000 0.280 121 S C -1.505 172.840 174.600 -0.425 0.000 1.109 121 S CA -0.847 57.296 58.200 -0.096 0.000 0.905 121 S CB 1.152 64.271 63.200 -0.135 0.000 1.081 121 S HN 0.438 8.748 8.310 -0.000 0.000 0.477 122 F N 0.372 120.240 119.950 -0.137 0.000 2.563 122 F HA 0.833 5.361 4.527 0.001 0.000 0.316 122 F C 0.271 175.967 175.800 -0.174 0.000 1.076 122 F CA -0.654 57.266 58.000 -0.133 0.000 0.921 122 F CB 2.350 41.305 39.000 -0.076 0.000 1.209 122 F HN 0.989 9.289 8.300 -0.000 0.000 0.462 123 A N 1.604 124.419 122.820 -0.008 0.000 2.355 123 A HA 0.767 5.088 4.320 0.002 0.000 0.317 123 A C -0.626 176.968 177.584 0.016 0.000 1.094 123 A CA -0.835 51.194 52.037 -0.014 0.000 0.764 123 A CB 1.055 19.981 19.000 -0.123 0.000 1.230 123 A HN 0.883 9.033 8.150 -0.000 0.000 0.448 124 V N 0.303 120.231 119.914 0.023 0.000 3.096 124 V HA 0.485 4.606 4.120 0.002 0.000 0.306 124 V C 1.408 177.451 176.094 -0.086 0.000 1.088 124 V CA 0.439 62.730 62.300 -0.016 0.000 1.129 124 V CB 0.387 32.203 31.823 -0.011 0.000 1.014 124 V HN 1.538 9.728 8.190 -0.000 0.000 0.486 125 A N 1.788 124.538 122.820 -0.118 0.000 2.019 125 A HA -0.116 4.205 4.320 0.002 0.000 0.219 125 A C 1.503 178.890 177.584 -0.327 0.000 1.164 125 A CA 1.539 53.467 52.037 -0.181 0.000 0.644 125 A CB -0.758 18.185 19.000 -0.095 0.000 0.805 125 A HN 1.135 9.285 8.150 -0.000 0.000 0.449 126 D N -0.544 119.597 120.400 -0.433 0.000 2.388 126 D HA 0.418 5.059 4.640 0.002 0.000 0.221 126 D C 0.508 176.681 176.300 -0.212 0.000 1.133 126 D CA 0.410 54.167 54.000 -0.405 0.000 0.831 126 D CB -0.515 39.969 40.800 -0.526 0.000 0.962 126 D HN 0.327 8.697 8.370 -0.000 0.000 0.502 127 A N 1.943 124.663 122.820 -0.167 0.000 2.366 127 A HA 0.462 4.784 4.320 0.002 0.000 0.249 127 A C -2.077 175.382 177.584 -0.208 0.000 1.084 127 A CA -0.998 50.956 52.037 -0.138 0.000 0.794 127 A CB -0.020 18.932 19.000 -0.079 0.000 1.034 127 A HN 0.100 8.250 8.150 -0.000 0.000 0.491 128 P HA 0.078 4.498 4.420 -0.000 0.000 0.272 128 P C 0.813 177.806 177.300 -0.513 0.000 1.230 128 P CA -0.450 62.352 63.100 -0.496 0.000 0.788 128 P CB 0.488 31.636 31.700 -0.920 0.000 0.949 129 I N 1.314 121.660 120.570 -0.374 0.000 2.118 129 I HA -0.287 3.884 4.170 0.002 0.000 0.241 129 I C 2.512 178.541 176.117 -0.147 0.000 1.070 129 I CA 2.168 63.356 61.300 -0.187 0.000 1.327 129 I CB -1.972 36.001 38.000 -0.045 0.000 1.034 129 I HN 0.473 8.683 8.210 -0.000 0.000 0.405 130 Y N -0.226 120.079 120.300 0.008 0.000 2.333 130 Y HA -0.066 4.485 4.550 0.001 0.000 0.290 130 Y C 2.453 178.382 175.900 0.049 0.000 1.144 130 Y CA 0.615 58.727 58.100 0.020 0.000 1.228 130 Y CB -1.614 36.858 38.460 0.021 0.000 0.985 130 Y HN -0.110 8.170 8.280 -0.000 0.000 0.542 131 V N 1.005 120.852 119.914 -0.111 0.000 2.346 131 V HA -0.202 3.919 4.120 0.002 0.000 0.244 131 V C 2.354 178.436 176.094 -0.019 0.000 1.037 131 V CA 1.889 64.234 62.300 0.074 0.000 1.029 131 V CB -0.525 31.318 31.823 0.033 0.000 0.663 131 V HN 0.332 8.522 8.190 -0.000 0.000 0.454 132 K N 0.282 120.613 120.400 -0.114 0.000 2.103 132 K HA -0.216 4.105 4.320 0.002 0.000 0.207 132 K C 2.037 178.560 176.600 -0.129 0.000 1.048 132 K CA 1.677 57.879 56.287 -0.141 0.000 0.930 132 K CB -0.335 32.080 32.500 -0.143 0.000 0.716 132 K HN 0.453 8.703 8.250 -0.000 0.000 0.444 133 N N 0.255 118.912 118.700 -0.072 0.000 2.396 133 N HA -0.078 4.664 4.740 0.002 0.000 0.180 133 N C 1.359 176.840 175.510 -0.049 0.000 1.028 133 N CA 0.543 53.562 53.050 -0.050 0.000 0.893 133 N CB 0.174 38.659 38.487 -0.003 0.000 0.967 133 N HN 0.150 8.530 8.380 -0.000 0.000 0.440 134 A N 0.823 123.623 122.820 -0.033 0.000 2.132 134 A HA 0.095 4.416 4.320 0.002 0.000 0.213 134 A C 1.101 178.592 177.584 -0.156 0.000 1.154 134 A CA 0.152 52.184 52.037 -0.007 0.000 0.753 134 A CB -0.165 18.939 19.000 0.173 0.000 0.826 134 A HN 0.158 8.308 8.150 -0.000 0.000 0.469 135 V N -3.299 116.413 119.914 -0.336 0.000 3.134 135 V HA 0.360 4.481 4.120 0.002 0.000 0.313 135 V C 0.551 176.459 176.094 -0.310 0.000 1.069 135 V CA -0.357 61.653 62.300 -0.483 0.000 1.048 135 V CB 0.911 32.325 31.823 -0.682 0.000 1.119 135 V HN 0.245 8.435 8.190 -0.000 0.000 0.461 136 D N -0.068 120.134 120.400 -0.330 0.000 2.149 136 D HA 0.019 4.660 4.640 0.002 0.000 0.201 136 D C 0.243 176.403 176.300 -0.234 0.000 0.972 136 D CA 2.036 55.879 54.000 -0.260 0.000 0.835 136 D CB 0.072 40.693 40.800 -0.298 0.000 0.966 136 D HN 0.861 9.231 8.370 -0.000 0.000 0.476 137 H N -0.679 118.101 119.070 -0.482 0.000 2.877 137 H HA 0.363 4.920 4.556 0.003 0.000 0.347 137 H C -1.399 173.790 175.328 -0.232 0.000 1.042 137 H CA -0.554 55.276 56.048 -0.364 0.000 1.276 137 H CB 1.496 30.987 29.762 -0.451 0.000 1.681 137 H HN -0.358 7.922 8.280 -0.000 0.000 0.521 138 V N 6.722 126.304 119.914 -0.554 0.000 2.406 138 V HA 0.195 4.316 4.120 0.002 0.000 0.272 138 V C 0.388 176.302 176.094 -0.300 0.000 1.043 138 V CA -0.593 61.506 62.300 -0.334 0.000 0.915 138 V CB 0.754 32.407 31.823 -0.284 0.000 0.988 138 V HN 0.628 8.818 8.190 -0.000 0.000 0.466 139 L N 3.876 125.092 121.223 -0.011 0.000 2.453 139 L HA 0.221 4.562 4.340 0.002 0.000 0.261 139 L C 1.588 178.461 176.870 0.005 0.000 1.179 139 L CA 0.148 55.038 54.840 0.084 0.000 0.813 139 L CB 1.269 43.385 42.059 0.095 0.000 1.110 139 L HN 0.836 9.066 8.230 -0.000 0.000 0.466 140 S N -1.578 114.143 115.700 0.034 0.000 2.524 140 S HA 0.048 4.519 4.470 0.002 0.000 0.216 140 S C 0.685 175.320 174.600 0.058 0.000 0.987 140 S CA -0.289 57.927 58.200 0.028 0.000 0.909 140 S CB -0.054 63.165 63.200 0.031 0.000 0.781 140 S HN 0.658 8.968 8.310 -0.000 0.000 0.521 141 T N 2.697 117.280 114.554 0.049 0.000 2.875 141 T HA 0.416 4.767 4.350 0.002 0.000 0.284 141 T C -0.634 174.136 174.700 0.117 0.000 0.995 141 T CA -0.378 61.767 62.100 0.075 0.000 1.060 141 T CB 0.683 69.552 68.868 0.001 0.000 0.967 141 T HN 0.300 8.540 8.240 -0.000 0.000 0.476 142 H N 0.822 119.872 119.070 -0.033 0.000 2.771 142 H HA 0.396 4.951 4.556 -0.001 0.000 0.364 142 H C 1.238 176.554 175.328 -0.020 0.000 1.133 142 H CA 0.356 56.391 56.048 -0.022 0.000 1.423 142 H CB 0.113 29.866 29.762 -0.015 0.000 1.425 142 H HN 0.815 9.095 8.280 -0.000 0.000 0.606 143 G N 0.028 108.855 108.800 0.045 0.000 2.414 143 G HA2 0.319 4.280 3.960 0.002 0.000 0.236 143 G HA3 0.319 4.280 3.960 0.002 0.000 0.236 143 G C 1.052 175.991 174.900 0.065 0.000 1.293 143 G CA 0.083 45.207 45.100 0.042 0.000 0.869 143 G HN 0.993 9.283 8.290 -0.000 0.000 0.556 144 G N 1.230 110.066 108.800 0.059 0.000 2.189 144 G HA2 -0.264 3.697 3.960 0.002 0.000 0.267 144 G HA3 -0.264 3.697 3.960 0.002 0.000 0.267 144 G C 1.034 175.989 174.900 0.091 0.000 0.975 144 G CA 0.802 45.952 45.100 0.083 0.000 0.644 144 G HN 0.694 8.984 8.290 -0.000 0.000 0.537 145 K N 0.044 120.436 120.400 -0.013 0.000 2.514 145 K HA 0.477 4.798 4.320 0.002 0.000 0.207 145 K C 1.356 177.651 176.600 -0.509 0.000 1.035 145 K CA 0.334 56.541 56.287 -0.133 0.000 1.113 145 K CB 0.378 32.874 32.500 -0.007 0.000 0.846 145 K HN 1.419 9.669 8.250 -0.000 0.000 0.491 146 G N 0.650 109.118 108.800 -0.554 0.000 2.135 146 G HA2 -0.251 3.711 3.960 0.002 0.000 0.183 146 G HA3 -0.251 3.711 3.960 0.002 0.000 0.183 146 G C 0.876 175.683 174.900 -0.155 0.000 1.004 146 G CA 0.202 45.038 45.100 -0.441 0.000 0.677 146 G HN 0.321 8.611 8.290 -0.000 0.000 0.512 147 A N -0.276 122.499 122.820 -0.075 0.000 1.929 147 A HA 0.351 4.672 4.320 0.002 0.000 0.216 147 A C 1.892 179.439 177.584 -0.062 0.000 1.176 147 A CA 2.010 54.022 52.037 -0.042 0.000 0.628 147 A CB -0.368 18.629 19.000 -0.005 0.000 0.816 147 A HN 1.193 9.343 8.150 -0.000 0.000 0.444 148 F N 0.719 120.599 119.950 -0.117 0.000 2.134 148 F HA -0.197 4.331 4.527 0.001 0.000 0.299 148 F C 2.340 178.042 175.800 -0.164 0.000 1.097 148 F CA 2.126 60.042 58.000 -0.140 0.000 1.264 148 F CB -0.023 38.921 39.000 -0.094 0.000 1.001 148 F HN 0.217 8.517 8.300 -0.000 0.000 0.479 149 R N 1.189 121.761 120.500 0.119 0.000 2.081 149 R HA -0.202 4.139 4.340 0.002 0.000 0.235 149 R C 2.186 178.382 176.300 -0.173 0.000 1.131 149 R CA 2.080 58.186 56.100 0.010 0.000 0.960 149 R CB -1.015 29.282 30.300 -0.005 0.000 0.856 149 R HN 0.536 8.806 8.270 -0.000 0.000 0.436 150 E N -0.291 119.806 120.200 -0.172 0.000 2.070 150 E HA -0.283 4.068 4.350 0.002 0.000 0.197 150 E C 1.920 178.361 176.600 -0.265 0.000 1.004 150 E CA 1.879 58.170 56.400 -0.182 0.000 0.805 150 E CB -0.203 29.431 29.700 -0.111 0.000 0.744 150 E HN 0.466 8.826 8.360 -0.000 0.000 0.451 151 M N 0.622 119.976 119.600 -0.409 0.000 2.086 151 M HA -0.178 4.303 4.480 0.002 0.000 0.261 151 M C 2.361 178.310 176.300 -0.585 0.000 1.067 151 M CA 2.280 57.169 55.300 -0.684 0.000 1.116 151 M CB -0.166 31.779 32.600 -1.092 0.000 1.348 151 M HN 0.180 8.470 8.290 -0.000 0.000 0.407 152 S N -0.178 115.206 115.700 -0.527 0.000 2.382 152 S HA -0.175 4.296 4.470 0.002 0.000 0.228 152 S C 1.407 175.910 174.600 -0.162 0.000 1.027 152 S CA 1.592 59.613 58.200 -0.298 0.000 0.991 152 S CB -0.824 62.321 63.200 -0.091 0.000 0.823 152 S HN 0.504 8.814 8.310 -0.000 0.000 0.469 153 D N 1.664 121.914 120.400 -0.250 0.000 2.117 153 D HA -0.001 4.640 4.640 0.002 0.000 0.197 153 D C 1.993 178.274 176.300 -0.031 0.000 0.987 153 D CA 1.277 55.084 54.000 -0.322 0.000 0.829 153 D CB -0.349 40.107 40.800 -0.573 0.000 0.961 153 D HN 0.458 8.828 8.370 -0.000 0.000 0.460 154 M N -0.261 119.277 119.600 -0.104 0.000 2.132 154 M HA -0.066 4.415 4.480 0.002 0.000 0.263 154 M C 2.260 178.559 176.300 -0.000 0.000 1.065 154 M CA 0.973 56.248 55.300 -0.042 0.000 1.122 154 M CB -0.136 32.408 32.600 -0.093 0.000 1.365 154 M HN 0.001 8.291 8.290 -0.000 0.000 0.411 155 I N 0.432 120.972 120.570 -0.050 0.000 2.179 155 I HA -0.301 3.870 4.170 0.002 0.000 0.242 155 I C 2.261 178.410 176.117 0.053 0.000 1.088 155 I CA 1.398 62.694 61.300 -0.007 0.000 1.357 155 I CB -0.459 37.505 38.000 -0.060 0.000 1.051 155 I HN 0.282 8.492 8.210 -0.000 0.000 0.409 156 L N 0.078 121.363 121.223 0.102 0.000 2.141 156 L HA -0.225 4.116 4.340 0.002 0.000 0.209 156 L C 2.649 179.600 176.870 0.135 0.000 1.094 156 L CA 1.186 56.118 54.840 0.154 0.000 0.763 156 L CB -0.522 41.701 42.059 0.272 0.000 0.908 156 L HN 0.316 8.546 8.230 -0.000 0.000 0.437 157 Q N 0.271 120.183 119.800 0.187 0.000 2.016 157 Q HA -0.189 4.152 4.340 0.002 0.000 0.200 157 Q C 2.337 178.372 176.000 0.057 0.000 0.978 157 Q CA 1.857 57.734 55.803 0.123 0.000 0.833 157 Q CB -0.162 28.686 28.738 0.182 0.000 0.895 157 Q HN 0.436 8.706 8.270 -0.000 0.000 0.427 158 A N 0.418 123.271 122.820 0.055 0.000 1.986 158 A HA -0.246 4.075 4.320 0.002 0.000 0.220 158 A C 1.767 179.369 177.584 0.030 0.000 1.171 158 A CA 1.808 53.866 52.037 0.035 0.000 0.640 158 A CB -0.523 18.497 19.000 0.034 0.000 0.811 158 A HN 0.589 8.739 8.150 -0.000 0.000 0.451 159 Q N -1.575 118.246 119.800 0.035 0.000 2.365 159 Q HA 0.282 4.623 4.340 0.002 0.000 0.203 159 Q C 0.989 176.996 176.000 0.012 0.000 0.929 159 Q CA 0.247 56.066 55.803 0.027 0.000 0.948 159 Q CB 0.059 28.819 28.738 0.037 0.000 1.043 159 Q HN 0.867 9.137 8.270 -0.000 0.000 0.505 160 G N 1.922 110.724 108.800 0.003 0.000 2.179 160 G HA2 -0.318 3.643 3.960 0.002 0.000 0.257 160 G HA3 -0.318 3.643 3.960 0.002 0.000 0.257 160 G C 0.393 175.268 174.900 -0.042 0.000 1.010 160 G CA 0.491 45.579 45.100 -0.019 0.000 0.736 160 G HN 0.329 8.619 8.290 -0.000 0.000 0.513 161 K N 0.410 120.784 120.400 -0.043 0.000 2.576 161 K HA 0.282 4.603 4.320 0.002 0.000 0.209 161 K C 2.117 178.606 176.600 -0.185 0.000 1.049 161 K CA 0.512 56.759 56.287 -0.066 0.000 1.140 161 K CB 0.432 32.929 32.500 -0.005 0.000 0.871 161 K HN 0.418 8.668 8.250 -0.000 0.000 0.479 162 S N 0.064 115.580 115.700 -0.308 0.000 2.423 162 S HA -0.173 4.298 4.470 0.002 0.000 0.231 162 S C 2.032 176.124 174.600 -0.845 0.000 1.014 162 S CA 1.452 59.151 58.200 -0.835 0.000 0.965 162 S CB -0.265 62.596 63.200 -0.565 0.000 0.785 162 S HN 0.318 8.628 8.310 -0.000 0.000 0.495 163 S N 1.122 116.594 115.700 -0.381 0.000 2.440 163 S HA -0.057 4.414 4.470 0.002 0.000 0.238 163 S C 1.720 176.224 174.600 -0.161 0.000 1.010 163 S CA 0.917 58.977 58.200 -0.232 0.000 0.972 163 S CB -0.996 62.135 63.200 -0.115 0.000 0.774 163 S HN 0.504 8.814 8.310 -0.000 0.000 0.501 164 V N 1.123 120.944 119.914 -0.155 0.000 2.809 164 V HA 0.050 4.171 4.120 0.002 0.000 0.256 164 V C 1.570 177.800 176.094 0.228 0.000 1.080 164 V CA 1.657 63.975 62.300 0.031 0.000 1.102 164 V CB -0.690 31.168 31.823 0.058 0.000 0.705 164 V HN 0.770 8.960 8.190 -0.000 0.000 0.475 165 F N 0.364 120.399 119.950 0.141 0.000 2.752 165 F HA 0.393 4.922 4.527 0.003 0.000 0.310 165 F C 1.230 177.071 175.800 0.069 0.000 1.097 165 F CA 0.161 58.242 58.000 0.134 0.000 1.238 165 F CB -0.578 38.478 39.000 0.095 0.000 1.061 165 F HN 0.320 8.620 8.300 -0.000 0.000 0.591 166 D N 0.984 121.382 120.400 -0.003 0.000 2.398 166 D HA 0.160 4.801 4.640 0.002 0.000 0.210 166 D C 0.203 176.520 176.300 0.028 0.000 1.094 166 D CA 0.600 54.650 54.000 0.084 0.000 0.839 166 D CB -0.312 40.492 40.800 0.006 0.000 0.963 166 D HN 0.286 8.656 8.370 -0.000 0.000 0.506 167 T N -4.321 110.249 114.554 0.027 0.000 2.912 167 T HA 0.671 5.022 4.350 0.002 0.000 0.299 167 T C 1.027 175.777 174.700 0.083 0.000 1.052 167 T CA -0.357 61.764 62.100 0.035 0.000 0.996 167 T CB 1.858 70.730 68.868 0.007 0.000 1.070 167 T HN -0.081 8.159 8.240 -0.000 0.000 0.465 168 A N 1.302 124.162 122.820 0.067 0.000 1.908 168 A HA -0.099 4.223 4.320 0.002 0.000 0.218 168 A C 2.287 179.951 177.584 0.133 0.000 1.181 168 A CA 1.886 53.980 52.037 0.096 0.000 0.627 168 A CB -1.012 18.022 19.000 0.056 0.000 0.818 168 A HN 0.938 9.088 8.150 -0.000 0.000 0.445 169 Q N -0.933 118.915 119.800 0.080 0.000 2.050 169 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 169 Q C 2.198 178.233 176.000 0.058 0.000 0.980 169 Q CA 1.439 57.277 55.803 0.059 0.000 0.840 169 Q CB -0.498 28.258 28.738 0.029 0.000 0.898 169 Q HN 0.639 8.909 8.270 -0.000 0.000 0.424 170 G N 0.378 109.210 108.800 0.053 0.000 2.491 170 G HA2 -0.325 3.636 3.960 0.002 0.000 0.218 170 G HA3 -0.325 3.636 3.960 0.002 0.000 0.218 170 G C 1.158 176.096 174.900 0.064 0.000 1.180 170 G CA 0.874 45.994 45.100 0.034 0.000 0.774 170 G HN 0.417 8.707 8.290 -0.000 0.000 0.562 171 F N 1.404 121.357 119.950 0.005 0.000 2.043 171 F HA -0.112 4.417 4.527 0.002 0.000 0.297 171 F C 2.612 178.423 175.800 0.019 0.000 1.121 171 F CA 1.682 59.696 58.000 0.024 0.000 1.199 171 F CB -0.458 38.565 39.000 0.038 0.000 0.968 171 F HN 0.056 8.356 8.300 -0.000 0.000 0.478 172 L N 0.056 121.329 121.223 0.083 0.000 2.187 172 L HA -0.269 4.072 4.340 0.002 0.000 0.213 172 L C 2.296 179.100 176.870 -0.110 0.000 1.100 172 L CA 1.494 56.317 54.840 -0.028 0.000 0.765 172 L CB -0.779 41.323 42.059 0.071 0.000 0.904 172 L HN 0.144 8.374 8.230 -0.000 0.000 0.437 173 K N -0.535 119.813 120.400 -0.087 0.000 2.152 173 K HA -0.088 4.233 4.320 0.002 0.000 0.206 173 K C 1.687 178.212 176.600 -0.125 0.000 1.048 173 K CA 1.416 57.655 56.287 -0.080 0.000 0.933 173 K CB -0.107 32.361 32.500 -0.054 0.000 0.721 173 K HN 0.134 8.384 8.250 -0.000 0.000 0.447 174 S N 0.291 115.863 115.700 -0.213 0.000 2.568 174 S HA 0.055 4.526 4.470 0.002 0.000 0.232 174 S C 1.224 175.614 174.600 -0.350 0.000 0.975 174 S CA -0.251 57.808 58.200 -0.235 0.000 0.949 174 S CB 0.733 63.811 63.200 -0.204 0.000 0.829 174 S HN 0.073 8.383 8.310 -0.000 0.000 0.479 175 V N 2.467 122.132 119.914 -0.416 0.000 2.490 175 V HA -0.173 3.948 4.120 0.002 0.000 0.250 175 V C 2.118 178.108 176.094 -0.173 0.000 1.061 175 V CA 1.687 63.749 62.300 -0.396 0.000 1.064 175 V CB -0.311 31.364 31.823 -0.247 0.000 0.670 175 V HN 0.386 8.576 8.190 -0.000 0.000 0.461 176 K N 0.289 120.618 120.400 -0.119 0.000 2.113 176 K HA -0.102 4.219 4.320 0.002 0.000 0.208 176 K C 1.702 178.268 176.600 -0.056 0.000 1.047 176 K CA 1.776 58.023 56.287 -0.066 0.000 0.928 176 K CB -0.427 32.041 32.500 -0.053 0.000 0.716 176 K HN 0.537 8.787 8.250 -0.000 0.000 0.446 177 S N 0.600 116.256 115.700 -0.074 0.000 2.573 177 S HA 0.210 4.681 4.470 0.002 0.000 0.244 177 S C 0.773 175.349 174.600 -0.041 0.000 0.984 177 S CA -0.072 58.099 58.200 -0.048 0.000 1.001 177 S CB 0.229 63.404 63.200 -0.042 0.000 0.788 177 S HN 0.136 8.446 8.310 -0.000 0.000 0.456 178 M N 1.543 121.117 119.600 -0.044 0.000 2.576 178 M HA 0.289 4.771 4.480 0.002 0.000 0.322 178 M C 0.821 177.151 176.300 0.050 0.000 1.184 178 M CA -0.085 55.221 55.300 0.010 0.000 0.967 178 M CB -0.116 32.489 32.600 0.009 0.000 1.372 178 M HN 0.245 8.535 8.290 -0.000 0.000 0.509 179 G N 0.307 109.119 108.800 0.021 0.000 2.462 179 G HA2 0.573 4.534 3.960 0.002 0.000 0.319 179 G HA3 0.573 4.534 3.960 0.002 0.000 0.319 179 G C -0.075 174.824 174.900 -0.002 0.000 1.171 179 G CA -0.230 44.881 45.100 0.018 0.000 0.920 179 G HN 0.194 8.484 8.290 -0.000 0.000 0.499 180 Q N 0.000 119.795 119.800 -0.009 0.000 2.315 180 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 180 Q CA 0.000 55.782 55.803 -0.035 0.000 1.022 180 Q CB 0.000 28.719 28.738 -0.032 0.000 1.108 180 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481