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 1stc_1_E DATA FIRST_RESID 15 DATA SEQUENCE VKEFLAKAKE DFLKKWENPA QNTAHLDQFE RIKTLGTGSF GRVMLVKHME DATA SEQUENCE TGNHYAMKIL DKQKVVKLKQ IEHTLNEKRI LQAVNFPFLV KLEFSFKDNS DATA SEQUENCE NLYMVMEYVP GGEMFSHLRR IGRFSEPHAR FYAAQIVLTF EYLHSLDLIY DATA SEQUENCE RDLKPENLLI DQQGYIQVTD FGFAKRVKGR TWXLCGTPEY LAPEIILSKG DATA SEQUENCE YNKAVDWWAL GVLIYEMAAG YPPFFADQPI QIYEKIVSGK VRFPSHFSSD DATA SEQUENCE LKDLLRNLLQ VDLTKRFGNL KNGVNDIKNH KWFATTDWIA IYQRKVEAPF DATA SEQUENCE IPKFKGPGDT SNFDDYEEEE IRVXINEKCG KEFSEF 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 15 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 15 V C 0.000 176.193 176.094 0.165 0.000 1.182 15 V CA 0.000 62.359 62.300 0.098 0.000 1.235 15 V CB 0.000 31.843 31.823 0.034 0.000 1.184 16 K N 1.304 121.759 120.400 0.090 0.000 2.127 16 K HA -0.267 4.064 4.320 0.018 0.000 0.208 16 K C 1.419 178.063 176.600 0.074 0.000 1.047 16 K CA 2.537 58.867 56.287 0.072 0.000 0.927 16 K CB -0.391 32.130 32.500 0.036 0.000 0.716 16 K HN 0.689 8.939 8.250 -0.000 0.000 0.450 17 E N 0.604 120.852 120.200 0.080 0.000 2.072 17 E HA -0.106 4.255 4.350 0.018 0.000 0.191 17 E C 1.911 178.558 176.600 0.079 0.000 0.985 17 E CA 1.177 57.616 56.400 0.064 0.000 0.801 17 E CB -0.428 29.308 29.700 0.060 0.000 0.750 17 E HN 0.371 8.731 8.360 -0.000 0.000 0.452 18 F N 1.330 121.287 119.950 0.010 0.000 2.084 18 F HA -0.072 4.466 4.527 0.017 0.000 0.296 18 F C 1.783 177.626 175.800 0.072 0.000 1.111 18 F CA 1.242 59.256 58.000 0.024 0.000 1.224 18 F CB -0.135 38.863 39.000 -0.004 0.000 0.991 18 F HN -0.096 8.204 8.300 -0.000 0.000 0.471 19 L N 0.294 121.615 121.223 0.163 0.000 2.042 19 L HA -0.221 4.130 4.340 0.018 0.000 0.210 19 L C 2.779 179.634 176.870 -0.025 0.000 1.076 19 L CA 1.288 56.188 54.840 0.100 0.000 0.749 19 L CB -1.263 40.901 42.059 0.174 0.000 0.893 19 L HN 0.292 8.522 8.230 -0.000 0.000 0.432 20 A N -0.260 122.550 122.820 -0.017 0.000 2.015 20 A HA -0.180 4.150 4.320 0.018 0.000 0.219 20 A C 2.258 179.812 177.584 -0.051 0.000 1.163 20 A CA 1.453 53.475 52.037 -0.025 0.000 0.646 20 A CB -0.244 18.751 19.000 -0.008 0.000 0.806 20 A HN 0.290 8.440 8.150 -0.000 0.000 0.448 21 K N -0.566 119.772 120.400 -0.103 0.000 2.243 21 K HA 0.213 4.544 4.320 0.018 0.000 0.201 21 K C 2.044 178.567 176.600 -0.129 0.000 1.051 21 K CA 0.811 57.028 56.287 -0.116 0.000 0.970 21 K CB -0.083 32.328 32.500 -0.149 0.000 0.755 21 K HN 0.412 8.662 8.250 -0.000 0.000 0.465 22 A N 0.941 123.652 122.820 -0.182 0.000 1.935 22 A HA -0.083 4.247 4.320 0.018 0.000 0.214 22 A C 1.916 179.527 177.584 0.046 0.000 1.178 22 A CA 1.109 53.101 52.037 -0.075 0.000 0.640 22 A CB -0.199 18.770 19.000 -0.052 0.000 0.825 22 A HN 0.119 8.269 8.150 -0.000 0.000 0.447 23 K N 0.082 120.484 120.400 0.004 0.000 2.074 23 K HA -0.245 4.086 4.320 0.018 0.000 0.209 23 K C 1.983 178.640 176.600 0.095 0.000 1.048 23 K CA 1.974 58.281 56.287 0.032 0.000 0.926 23 K CB -0.137 32.356 32.500 -0.011 0.000 0.713 23 K HN 0.627 8.877 8.250 -0.000 0.000 0.444 24 E N 0.159 120.385 120.200 0.044 0.000 2.072 24 E HA -0.205 4.156 4.350 0.018 0.000 0.191 24 E C 1.338 177.968 176.600 0.050 0.000 0.985 24 E CA 1.918 58.340 56.400 0.036 0.000 0.801 24 E CB -0.003 29.702 29.700 0.008 0.000 0.750 24 E HN 0.341 8.701 8.360 -0.000 0.000 0.452 25 D N -0.751 119.685 120.400 0.060 0.000 2.097 25 D HA -0.138 4.513 4.640 0.018 0.000 0.197 25 D C 1.484 177.849 176.300 0.108 0.000 0.984 25 D CA 1.160 55.202 54.000 0.071 0.000 0.826 25 D CB -0.147 40.697 40.800 0.074 0.000 0.973 25 D HN 0.167 8.537 8.370 -0.000 0.000 0.460 26 F N 1.182 121.138 119.950 0.010 0.000 2.043 26 F HA -0.206 4.332 4.527 0.019 0.000 0.297 26 F C 1.825 177.649 175.800 0.039 0.000 1.121 26 F CA 1.444 59.444 58.000 -0.001 0.000 1.199 26 F CB -0.566 38.370 39.000 -0.107 0.000 0.968 26 F HN -0.054 8.246 8.300 -0.000 0.000 0.478 27 L N 0.160 121.339 121.223 -0.074 0.000 2.042 27 L HA -0.272 4.079 4.340 0.018 0.000 0.210 27 L C 2.513 179.353 176.870 -0.050 0.000 1.076 27 L CA 1.957 56.742 54.840 -0.092 0.000 0.749 27 L CB -0.812 41.273 42.059 0.043 0.000 0.893 27 L HN 0.172 8.402 8.230 -0.000 0.000 0.432 28 K N 0.317 120.702 120.400 -0.026 0.000 2.032 28 K HA -0.212 4.119 4.320 0.018 0.000 0.209 28 K C 2.201 178.779 176.600 -0.037 0.000 1.048 28 K CA 1.550 57.827 56.287 -0.018 0.000 0.927 28 K CB -0.053 32.444 32.500 -0.004 0.000 0.712 28 K HN -0.057 8.193 8.250 -0.000 0.000 0.441 29 K N -0.247 120.118 120.400 -0.059 0.000 2.116 29 K HA -0.101 4.230 4.320 0.018 0.000 0.203 29 K C 1.937 178.491 176.600 -0.077 0.000 1.052 29 K CA 1.140 57.391 56.287 -0.060 0.000 0.952 29 K CB -0.530 31.948 32.500 -0.036 0.000 0.729 29 K HN 0.457 8.707 8.250 -0.000 0.000 0.446 30 W N 2.654 123.682 121.300 -0.453 0.000 2.342 30 W HA -0.205 4.467 4.660 0.019 0.000 0.297 30 W C 1.013 177.373 176.519 -0.265 0.000 1.213 30 W CA 1.436 58.484 57.345 -0.496 0.000 1.251 30 W CB 0.412 29.342 29.460 -0.883 0.000 1.136 30 W HN 0.125 8.305 8.180 -0.000 0.000 0.526 31 E N -0.945 119.216 120.200 -0.065 0.000 2.415 31 E HA -0.066 4.295 4.350 0.018 0.000 0.197 31 E C 0.278 176.807 176.600 -0.118 0.000 1.007 31 E CA 0.299 56.629 56.400 -0.118 0.000 0.890 31 E CB -0.435 29.255 29.700 -0.016 0.000 0.891 31 E HN 0.080 8.440 8.360 -0.000 0.000 0.496 32 N N 1.505 120.147 118.700 -0.096 0.000 2.672 32 N HA 0.136 4.887 4.740 0.018 0.000 0.295 32 N C -2.533 172.927 175.510 -0.082 0.000 1.924 32 N CA -2.085 50.917 53.050 -0.079 0.000 0.851 32 N CB 0.703 39.162 38.487 -0.048 0.000 1.281 32 N HN -0.171 8.209 8.380 -0.000 0.000 0.494 33 P HA 0.141 4.561 4.420 -0.000 0.000 0.295 33 P C -0.751 176.500 177.300 -0.081 0.000 1.300 33 P CA -0.040 62.993 63.100 -0.111 0.000 0.801 33 P CB 0.529 32.129 31.700 -0.167 0.000 1.420 34 A N -1.361 121.407 122.820 -0.087 0.000 2.549 34 A HA 0.622 4.953 4.320 0.018 0.000 0.297 34 A C -1.448 176.090 177.584 -0.077 0.000 1.061 34 A CA -0.447 51.555 52.037 -0.058 0.000 0.690 34 A CB 1.511 20.491 19.000 -0.034 0.000 1.287 34 A HN 0.550 8.700 8.150 -0.000 0.000 0.402 35 Q N 0.524 120.304 119.800 -0.033 0.000 2.472 35 Q HA 0.611 4.962 4.340 0.018 0.000 0.281 35 Q C -0.583 175.458 176.000 0.068 0.000 0.997 35 Q CA -0.983 54.809 55.803 -0.018 0.000 0.828 35 Q CB 1.441 30.152 28.738 -0.044 0.000 1.443 35 Q HN 0.793 9.063 8.270 -0.000 0.000 0.390 36 N N -0.362 118.425 118.700 0.145 0.000 2.771 36 N HA -0.143 4.608 4.740 0.018 0.000 0.249 36 N C -0.772 174.845 175.510 0.179 0.000 1.069 36 N CA 1.190 54.356 53.050 0.193 0.000 0.688 36 N CB -0.957 37.608 38.487 0.129 0.000 0.928 36 N HN 0.755 9.135 8.380 -0.000 0.000 0.551 37 T N -1.025 113.677 114.554 0.246 0.000 3.144 37 T HA 0.603 4.964 4.350 0.018 0.000 0.249 37 T C 0.523 175.432 174.700 0.349 0.000 1.089 37 T CA 0.705 62.960 62.100 0.259 0.000 0.989 37 T CB 0.124 69.136 68.868 0.239 0.000 0.992 37 T HN 0.690 8.930 8.240 -0.000 0.000 0.540 38 A N 0.461 123.394 122.820 0.188 0.000 2.522 38 A HA 0.575 4.906 4.320 0.018 0.000 0.291 38 A C -1.839 175.270 177.584 -0.792 0.000 1.039 38 A CA -0.864 51.088 52.037 -0.143 0.000 0.643 38 A CB 0.797 19.725 19.000 -0.120 0.000 1.310 38 A HN 0.231 8.381 8.150 -0.000 0.000 0.436 39 H N 0.158 118.704 119.070 -0.873 0.000 2.679 39 H HA 0.587 5.154 4.556 0.018 0.000 0.367 39 H C 0.333 175.132 175.328 -0.880 0.000 1.162 39 H CA -0.563 54.929 56.048 -0.926 0.000 1.181 39 H CB 1.894 31.425 29.762 -0.385 0.000 1.693 39 H HN 0.612 8.892 8.280 -0.000 0.000 0.538 40 L N 2.574 123.763 121.223 -0.057 0.000 2.201 40 L HA -0.107 4.244 4.340 0.018 0.000 0.212 40 L C 1.750 178.679 176.870 0.099 0.000 1.105 40 L CA 2.057 56.919 54.840 0.037 0.000 0.775 40 L CB -0.626 41.422 42.059 -0.019 0.000 0.913 40 L HN 0.773 9.003 8.230 -0.000 0.000 0.440 41 D N -0.577 119.787 120.400 -0.060 0.000 2.309 41 D HA -0.278 4.372 4.640 0.018 0.000 0.212 41 D C 1.481 177.676 176.300 -0.174 0.000 0.968 41 D CA 1.230 55.079 54.000 -0.252 0.000 0.882 41 D CB -0.582 39.883 40.800 -0.559 0.000 0.918 41 D HN 0.717 9.087 8.370 -0.000 0.000 0.503 42 Q N -0.705 118.998 119.800 -0.162 0.000 2.211 42 Q HA 0.233 4.584 4.340 0.018 0.000 0.231 42 Q C -0.965 174.713 176.000 -0.536 0.000 0.865 42 Q CA -0.449 55.172 55.803 -0.304 0.000 0.997 42 Q CB -0.291 28.199 28.738 -0.415 0.000 1.101 42 Q HN 0.101 8.371 8.270 -0.000 0.000 0.468 43 F N 0.488 120.319 119.950 -0.197 0.000 2.578 43 F HA 0.406 4.944 4.527 0.018 0.000 0.311 43 F C -0.399 175.381 175.800 -0.033 0.000 1.094 43 F CA -0.991 56.935 58.000 -0.122 0.000 0.923 43 F CB 2.248 41.171 39.000 -0.128 0.000 1.230 43 F HN -0.003 8.297 8.300 -0.000 0.000 0.450 44 E N 2.859 123.155 120.200 0.160 0.000 2.145 44 E HA 0.400 4.761 4.350 0.018 0.000 0.270 44 E C -0.824 175.875 176.600 0.164 0.000 0.906 44 E CA -0.945 55.530 56.400 0.124 0.000 0.761 44 E CB 1.115 30.868 29.700 0.088 0.000 1.116 44 E HN 0.542 8.902 8.360 -0.000 0.000 0.408 45 R N 3.367 123.947 120.500 0.133 0.000 2.491 45 R HA 0.127 4.478 4.340 0.018 0.000 0.283 45 R C 0.769 177.129 176.300 0.100 0.000 1.072 45 R CA 0.091 56.262 56.100 0.119 0.000 1.048 45 R CB 0.426 30.782 30.300 0.094 0.000 0.983 45 R HN 0.540 8.810 8.270 -0.000 0.000 0.450 46 I N 1.406 122.029 120.570 0.089 0.000 3.366 46 I HA 0.187 4.368 4.170 0.018 0.000 0.267 46 I C -0.058 176.098 176.117 0.065 0.000 1.149 46 I CA 0.961 62.303 61.300 0.069 0.000 1.436 46 I CB -0.349 37.678 38.000 0.043 0.000 1.379 46 I HN 0.594 8.804 8.210 -0.000 0.000 0.460 47 K N -0.849 119.589 120.400 0.065 0.000 2.598 47 K HA 0.295 4.626 4.320 0.018 0.000 0.271 47 K C -1.252 175.401 176.600 0.088 0.000 0.947 47 K CA -0.477 55.864 56.287 0.090 0.000 0.854 47 K CB 0.917 33.487 32.500 0.117 0.000 1.401 47 K HN -0.164 8.086 8.250 -0.000 0.000 0.415 48 T N 3.426 118.041 114.554 0.103 0.000 2.884 48 T HA 0.250 4.611 4.350 0.018 0.000 0.298 48 T C 0.744 175.481 174.700 0.061 0.000 0.998 48 T CA -0.228 61.898 62.100 0.042 0.000 1.124 48 T CB 0.436 69.309 68.868 0.009 0.000 0.931 48 T HN 0.523 8.763 8.240 -0.000 0.000 0.531 49 L N 1.948 123.138 121.223 -0.055 0.000 2.749 49 L HA 0.452 4.803 4.340 0.018 0.000 0.242 49 L C 1.220 177.971 176.870 -0.199 0.000 1.103 49 L CA -0.098 54.717 54.840 -0.042 0.000 0.906 49 L CB 0.440 42.476 42.059 -0.039 0.000 1.228 49 L HN 0.735 8.965 8.230 -0.000 0.000 0.517 50 G N -1.505 107.084 108.800 -0.353 0.000 2.704 50 G HA2 0.567 4.537 3.960 0.018 0.000 0.293 50 G HA3 0.567 4.537 3.960 0.018 0.000 0.293 50 G C -1.631 173.071 174.900 -0.329 0.000 1.421 50 G CA -0.176 44.738 45.100 -0.310 0.000 0.870 50 G HN -0.295 7.995 8.290 -0.000 0.000 0.492 51 T N -1.426 113.013 114.554 -0.191 0.000 2.843 51 T HA 0.893 5.254 4.350 0.018 0.000 0.302 51 T C 0.037 174.661 174.700 -0.126 0.000 1.232 51 T CA 0.685 62.639 62.100 -0.243 0.000 1.009 51 T CB 1.687 70.391 68.868 -0.274 0.000 1.254 51 T HN 2.128 10.368 8.240 -0.000 0.000 0.504 52 G N 0.603 109.086 108.800 -0.529 0.000 2.323 52 G HA2 0.317 4.288 3.960 0.018 0.000 0.291 52 G HA3 0.317 4.288 3.960 0.018 0.000 0.291 52 G C 0.660 175.283 174.900 -0.461 0.000 1.278 52 G CA 0.326 45.238 45.100 -0.313 0.000 0.860 52 G HN 0.906 9.196 8.290 -0.000 0.000 0.504 53 S N -0.267 115.360 115.700 -0.122 0.000 2.406 53 S HA 0.043 4.524 4.470 0.018 0.000 0.228 53 S C 2.090 176.647 174.600 -0.073 0.000 1.020 53 S CA 2.040 60.203 58.200 -0.063 0.000 0.965 53 S CB -0.613 62.625 63.200 0.063 0.000 0.798 53 S HN 0.906 9.216 8.310 -0.000 0.000 0.488 54 F N 2.635 122.568 119.950 -0.029 0.000 1.997 54 F HA 0.394 4.932 4.527 0.018 0.000 0.296 54 F C 1.697 177.456 175.800 -0.069 0.000 1.160 54 F CA 0.837 58.813 58.000 -0.040 0.000 1.176 54 F CB -1.300 37.670 39.000 -0.050 0.000 0.964 54 F HN 0.366 8.666 8.300 -0.000 0.000 0.484 55 G N -0.261 107.960 108.800 -0.965 0.000 3.183 55 G HA2 0.459 4.430 3.960 0.018 0.000 0.140 55 G HA3 0.459 4.430 3.960 0.018 0.000 0.140 55 G C -1.094 173.235 174.900 -0.951 0.000 1.209 55 G CA -0.327 44.396 45.100 -0.629 0.000 1.438 55 G HN 0.668 8.958 8.290 -0.000 0.000 0.700 56 R N -0.482 119.803 120.500 -0.360 0.000 2.633 56 R HA 0.569 4.919 4.340 0.018 0.000 0.256 56 R C -1.911 174.452 176.300 0.105 0.000 1.131 56 R CA -0.628 55.380 56.100 -0.153 0.000 0.994 56 R CB 1.405 31.581 30.300 -0.206 0.000 1.261 56 R HN 0.427 8.697 8.270 -0.000 0.000 0.446 57 V N 4.507 124.528 119.914 0.179 0.000 2.649 57 V HA 0.433 4.564 4.120 0.018 0.000 0.292 57 V C 0.369 176.485 176.094 0.036 0.000 1.055 57 V CA -0.127 62.240 62.300 0.112 0.000 1.023 57 V CB 1.367 33.245 31.823 0.093 0.000 0.992 57 V HN 0.709 8.899 8.190 -0.000 0.000 0.480 58 M N 4.617 124.248 119.600 0.052 0.000 2.386 58 M HA 0.403 4.894 4.480 0.018 0.000 0.293 58 M C -1.250 175.073 176.300 0.038 0.000 1.120 58 M CA -0.874 54.449 55.300 0.039 0.000 0.909 58 M CB 2.220 34.851 32.600 0.051 0.000 1.661 58 M HN 0.509 8.799 8.290 -0.000 0.000 0.452 59 L N 5.635 126.851 121.223 -0.011 0.000 2.418 59 L HA 0.480 4.831 4.340 0.018 0.000 0.274 59 L C -0.740 176.139 176.870 0.014 0.000 1.135 59 L CA 0.037 54.806 54.840 -0.117 0.000 0.870 59 L CB 0.386 42.299 42.059 -0.242 0.000 1.154 59 L HN 0.497 8.727 8.230 -0.000 0.000 0.462 60 V N 2.469 122.459 119.914 0.127 0.000 3.001 60 V HA 0.695 4.826 4.120 0.018 0.000 0.314 60 V C -0.615 175.731 176.094 0.420 0.000 1.099 60 V CA -1.097 61.369 62.300 0.277 0.000 0.989 60 V CB 1.809 33.845 31.823 0.355 0.000 1.040 60 V HN 0.794 8.984 8.190 -0.000 0.000 0.434 61 K N 0.935 121.562 120.400 0.379 0.000 2.413 61 K HA 0.422 4.753 4.320 0.018 0.000 0.257 61 K C -0.732 175.979 176.600 0.185 0.000 0.946 61 K CA -0.614 55.866 56.287 0.322 0.000 0.823 61 K CB 1.034 33.679 32.500 0.241 0.000 1.109 61 K HN 1.057 9.307 8.250 -0.000 0.000 0.427 62 H N 6.054 125.135 119.070 0.019 0.000 2.955 62 H HA 0.000 4.567 4.556 0.018 0.000 0.290 62 H C 1.367 176.550 175.328 -0.241 0.000 1.047 62 H CA -0.522 55.310 56.048 -0.360 0.000 1.484 62 H CB 0.665 30.362 29.762 -0.108 0.000 1.501 62 H HN 0.591 8.871 8.280 -0.000 0.000 0.521 63 M N 2.985 122.565 119.600 -0.034 0.000 2.605 63 M HA -0.227 4.263 4.480 0.018 0.000 0.269 63 M C 1.729 178.032 176.300 0.004 0.000 1.064 63 M CA 1.540 56.835 55.300 -0.009 0.000 1.078 63 M CB -0.945 31.620 32.600 -0.058 0.000 1.234 63 M HN 0.668 8.958 8.290 -0.000 0.000 0.483 64 E N -0.338 119.874 120.200 0.021 0.000 2.333 64 E HA -0.113 4.248 4.350 0.018 0.000 0.200 64 E C 1.871 178.391 176.600 -0.133 0.000 1.010 64 E CA 1.321 57.691 56.400 -0.051 0.000 0.841 64 E CB -0.470 29.211 29.700 -0.031 0.000 0.757 64 E HN 0.577 8.937 8.360 -0.000 0.000 0.508 65 T N -2.066 112.347 114.554 -0.236 0.000 3.026 65 T HA 0.261 4.622 4.350 0.018 0.000 0.245 65 T C 1.168 175.784 174.700 -0.140 0.000 1.004 65 T CA 0.825 62.778 62.100 -0.245 0.000 1.069 65 T CB 0.514 69.104 68.868 -0.463 0.000 1.005 65 T HN 0.310 8.550 8.240 -0.000 0.000 0.472 66 G N 2.130 110.870 108.800 -0.100 0.000 2.179 66 G HA2 -0.241 3.729 3.960 0.018 0.000 0.260 66 G HA3 -0.241 3.729 3.960 0.018 0.000 0.260 66 G C 0.023 174.812 174.900 -0.185 0.000 0.977 66 G CA 0.155 45.196 45.100 -0.100 0.000 0.641 66 G HN 0.551 8.841 8.290 -0.000 0.000 0.533 67 N N 0.429 119.055 118.700 -0.123 0.000 2.444 67 N HA 0.405 5.156 4.740 0.018 0.000 0.255 67 N C -0.150 175.232 175.510 -0.212 0.000 1.255 67 N CA -0.287 52.632 53.050 -0.219 0.000 0.933 67 N CB 0.290 38.641 38.487 -0.228 0.000 1.143 67 N HN 0.224 8.604 8.380 -0.000 0.000 0.453 68 H N 1.287 120.292 119.070 -0.108 0.000 2.488 68 H HA 0.315 4.882 4.556 0.018 0.000 0.322 68 H C -0.916 174.391 175.328 -0.034 0.000 1.078 68 H CA -0.027 56.046 56.048 0.042 0.000 1.260 68 H CB 0.364 30.257 29.762 0.218 0.000 1.425 68 H HN 0.494 8.774 8.280 -0.000 0.000 0.471 69 Y N -0.289 120.282 120.300 0.452 0.000 2.545 69 Y HA 0.493 5.054 4.550 0.018 0.000 0.348 69 Y C -0.012 176.052 175.900 0.274 0.000 1.002 69 Y CA -1.221 57.135 58.100 0.427 0.000 1.039 69 Y CB 1.620 40.370 38.460 0.485 0.000 1.271 69 Y HN 0.663 8.943 8.280 -0.000 0.000 0.467 70 A N 3.386 126.480 122.820 0.457 0.000 2.294 70 A HA 0.526 4.857 4.320 0.018 0.000 0.316 70 A C -0.523 177.195 177.584 0.224 0.000 1.359 70 A CA -0.504 51.700 52.037 0.279 0.000 0.956 70 A CB -0.243 18.948 19.000 0.318 0.000 1.155 70 A HN 0.815 8.965 8.150 -0.000 0.000 0.544 71 M N 3.937 123.627 119.600 0.149 0.000 2.113 71 M HA 0.292 4.783 4.480 0.018 0.000 0.352 71 M C -0.019 176.332 176.300 0.085 0.000 1.170 71 M CA -0.262 55.087 55.300 0.082 0.000 1.053 71 M CB 0.543 33.148 32.600 0.007 0.000 1.601 71 M HN 0.604 8.894 8.290 -0.000 0.000 0.459 72 K N 6.203 126.652 120.400 0.082 0.000 2.267 72 K HA 0.393 4.723 4.320 0.018 0.000 0.282 72 K C -1.617 175.000 176.600 0.028 0.000 1.078 72 K CA -0.465 55.876 56.287 0.090 0.000 0.903 72 K CB 0.447 33.003 32.500 0.094 0.000 1.111 72 K HN 0.703 8.953 8.250 -0.000 0.000 0.475 73 I N 5.431 126.004 120.570 0.006 0.000 2.336 73 I HA 0.256 4.436 4.170 0.018 0.000 0.292 73 I C -0.707 175.284 176.117 -0.210 0.000 0.991 73 I CA -0.578 60.633 61.300 -0.150 0.000 1.227 73 I CB 1.310 39.265 38.000 -0.076 0.000 1.366 73 I HN 0.431 8.641 8.210 -0.000 0.000 0.466 74 L N 5.216 126.213 121.223 -0.377 0.000 2.341 74 L HA 0.458 4.808 4.340 0.018 0.000 0.278 74 L C -0.392 176.238 176.870 -0.399 0.000 1.005 74 L CA -0.607 54.042 54.840 -0.320 0.000 0.818 74 L CB 1.581 43.447 42.059 -0.321 0.000 1.259 74 L HN 0.473 8.703 8.230 -0.000 0.000 0.418 75 D N 1.579 121.813 120.400 -0.277 0.000 2.312 75 D HA 0.160 4.811 4.640 0.018 0.000 0.252 75 D C 0.835 176.992 176.300 -0.239 0.000 1.150 75 D CA -0.085 53.768 54.000 -0.244 0.000 0.870 75 D CB 1.187 41.893 40.800 -0.156 0.000 1.153 75 D HN 0.404 8.774 8.370 -0.000 0.000 0.457 76 K N 1.881 122.107 120.400 -0.289 0.000 1.991 76 K HA -0.201 4.130 4.320 0.018 0.000 0.212 76 K C 1.942 178.568 176.600 0.042 0.000 1.049 76 K CA 1.537 57.675 56.287 -0.249 0.000 0.932 76 K CB 0.024 32.380 32.500 -0.240 0.000 0.717 76 K HN 0.567 8.817 8.250 -0.000 0.000 0.441 77 Q N 0.592 120.404 119.800 0.020 0.000 2.077 77 Q HA -0.219 4.132 4.340 0.018 0.000 0.206 77 Q C 2.161 178.183 176.000 0.037 0.000 0.989 77 Q CA 1.459 57.288 55.803 0.044 0.000 0.853 77 Q CB -0.131 28.614 28.738 0.012 0.000 0.907 77 Q HN 0.227 8.497 8.270 -0.000 0.000 0.418 78 K N 0.288 120.688 120.400 0.000 0.000 2.057 78 K HA -0.126 4.205 4.320 0.018 0.000 0.207 78 K C 2.134 178.756 176.600 0.036 0.000 1.049 78 K CA 1.170 57.458 56.287 0.001 0.000 0.931 78 K CB -0.076 32.402 32.500 -0.038 0.000 0.714 78 K HN 0.048 8.298 8.250 -0.000 0.000 0.440 79 V N 0.972 120.918 119.914 0.054 0.000 2.332 79 V HA -0.251 3.880 4.120 0.018 0.000 0.248 79 V C 2.347 178.536 176.094 0.158 0.000 1.055 79 V CA 1.481 63.855 62.300 0.123 0.000 1.038 79 V CB -0.303 31.618 31.823 0.163 0.000 0.651 79 V HN 0.091 8.281 8.190 -0.000 0.000 0.450 80 V N -0.206 119.813 119.914 0.175 0.000 2.214 80 V HA -0.341 3.790 4.120 0.018 0.000 0.245 80 V C 2.404 178.533 176.094 0.058 0.000 1.047 80 V CA 2.487 64.845 62.300 0.096 0.000 0.998 80 V CB -0.794 31.074 31.823 0.075 0.000 0.633 80 V HN 0.516 8.706 8.190 -0.000 0.000 0.446 81 K N -0.005 120.424 120.400 0.049 0.000 2.090 81 K HA -0.267 4.064 4.320 0.018 0.000 0.218 81 K C 1.708 178.332 176.600 0.040 0.000 1.055 81 K CA 2.072 58.379 56.287 0.034 0.000 0.941 81 K CB -0.597 31.918 32.500 0.025 0.000 0.722 81 K HN 0.378 8.628 8.250 -0.000 0.000 0.458 82 L N 0.976 122.231 121.223 0.053 0.000 2.610 82 L HA 0.044 4.395 4.340 0.018 0.000 0.232 82 L C 0.727 177.647 176.870 0.084 0.000 1.149 82 L CA 0.210 55.089 54.840 0.065 0.000 0.872 82 L CB -0.428 41.674 42.059 0.072 0.000 0.992 82 L HN 0.226 8.456 8.230 -0.000 0.000 0.447 83 K N 1.184 121.630 120.400 0.075 0.000 3.125 83 K HA -0.203 4.128 4.320 0.018 0.000 0.268 83 K C -0.159 176.520 176.600 0.132 0.000 1.078 83 K CA 0.466 56.798 56.287 0.076 0.000 0.775 83 K CB -0.820 31.720 32.500 0.067 0.000 1.253 83 K HN 0.372 8.622 8.250 -0.000 0.000 0.486 84 Q N 0.254 120.148 119.800 0.156 0.000 2.155 84 Q HA 0.245 4.596 4.340 0.018 0.000 0.273 84 Q C 1.359 177.487 176.000 0.213 0.000 0.857 84 Q CA -0.072 55.878 55.803 0.244 0.000 1.116 84 Q CB 0.253 29.139 28.738 0.245 0.000 1.209 84 Q HN 0.552 8.822 8.270 -0.000 0.000 0.460 85 I N -0.777 119.862 120.570 0.115 0.000 2.500 85 I HA -0.128 4.053 4.170 0.018 0.000 0.252 85 I C 1.962 178.120 176.117 0.068 0.000 1.142 85 I CA 0.653 62.012 61.300 0.098 0.000 1.451 85 I CB 0.153 38.059 38.000 -0.157 0.000 1.093 85 I HN 0.019 8.229 8.210 -0.000 0.000 0.430 86 E N 0.869 121.046 120.200 -0.037 0.000 2.046 86 E HA -0.168 4.193 4.350 0.018 0.000 0.190 86 E C 2.152 178.746 176.600 -0.011 0.000 0.982 86 E CA 1.519 57.865 56.400 -0.089 0.000 0.800 86 E CB -0.349 29.211 29.700 -0.232 0.000 0.756 86 E HN 0.623 8.983 8.360 -0.000 0.000 0.449 87 H N -0.437 118.713 119.070 0.133 0.000 2.387 87 H HA -0.024 4.542 4.556 0.017 0.000 0.299 87 H C 2.150 177.588 175.328 0.184 0.000 1.090 87 H CA 1.685 57.832 56.048 0.164 0.000 1.332 87 H CB -0.003 29.863 29.762 0.174 0.000 1.386 87 H HN 0.045 8.325 8.280 -0.000 0.000 0.516 88 T N 0.593 115.336 114.554 0.315 0.000 2.746 88 T HA -0.105 4.256 4.350 0.018 0.000 0.267 88 T C 1.975 176.870 174.700 0.324 0.000 1.039 88 T CA 1.100 63.372 62.100 0.286 0.000 1.142 88 T CB -0.168 68.862 68.868 0.270 0.000 0.866 88 T HN 0.187 8.427 8.240 -0.000 0.000 0.444 89 L N 0.918 122.318 121.223 0.295 0.000 2.131 89 L HA 0.045 4.395 4.340 0.018 0.000 0.206 89 L C 2.494 179.455 176.870 0.151 0.000 1.087 89 L CA 0.824 55.818 54.840 0.256 0.000 0.767 89 L CB -0.531 41.634 42.059 0.177 0.000 0.917 89 L HN 0.211 8.441 8.230 -0.000 0.000 0.441 90 N N 0.801 119.599 118.700 0.163 0.000 2.084 90 N HA -0.277 4.473 4.740 0.018 0.000 0.190 90 N C 1.830 177.487 175.510 0.245 0.000 1.030 90 N CA 1.803 54.961 53.050 0.181 0.000 0.849 90 N CB 0.033 38.655 38.487 0.226 0.000 1.012 90 N HN 0.474 8.854 8.380 -0.000 0.000 0.423 91 E N -0.007 120.356 120.200 0.273 0.000 2.150 91 E HA -0.194 4.167 4.350 0.018 0.000 0.193 91 E C 1.898 178.648 176.600 0.250 0.000 0.985 91 E CA 1.045 57.627 56.400 0.304 0.000 0.814 91 E CB -0.183 29.686 29.700 0.282 0.000 0.752 91 E HN 0.162 8.522 8.360 -0.000 0.000 0.466 92 K N 1.134 121.655 120.400 0.202 0.000 2.167 92 K HA -0.088 4.243 4.320 0.018 0.000 0.203 92 K C 2.197 178.806 176.600 0.015 0.000 1.052 92 K CA 1.022 57.371 56.287 0.103 0.000 0.956 92 K CB -0.100 32.422 32.500 0.035 0.000 0.735 92 K HN 0.174 8.424 8.250 -0.000 0.000 0.451 93 R N 0.557 121.071 120.500 0.024 0.000 2.062 93 R HA 0.054 4.405 4.340 0.018 0.000 0.229 93 R C 2.427 178.839 176.300 0.187 0.000 1.128 93 R CA 1.072 57.153 56.100 -0.031 0.000 0.960 93 R CB -0.160 30.008 30.300 -0.220 0.000 0.855 93 R HN 0.135 8.405 8.270 -0.000 0.000 0.432 94 I N 0.757 121.525 120.570 0.330 0.000 2.163 94 I HA -0.289 3.892 4.170 0.018 0.000 0.243 94 I C 2.193 178.360 176.117 0.083 0.000 1.085 94 I CA 0.947 62.462 61.300 0.358 0.000 1.347 94 I CB -0.340 37.767 38.000 0.178 0.000 1.044 94 I HN 0.254 8.464 8.210 -0.000 0.000 0.408 95 L N 1.164 122.397 121.223 0.017 0.000 2.201 95 L HA -0.200 4.151 4.340 0.018 0.000 0.212 95 L C 2.330 179.240 176.870 0.066 0.000 1.105 95 L CA 1.706 56.551 54.840 0.008 0.000 0.775 95 L CB -0.554 41.591 42.059 0.144 0.000 0.913 95 L HN 0.382 8.612 8.230 -0.000 0.000 0.440 96 Q N -1.912 117.925 119.800 0.062 0.000 2.403 96 Q HA 0.253 4.604 4.340 0.018 0.000 0.203 96 Q C 1.259 177.297 176.000 0.063 0.000 0.932 96 Q CA 0.907 56.736 55.803 0.042 0.000 0.945 96 Q CB -0.142 28.588 28.738 -0.013 0.000 1.045 96 Q HN 0.298 8.568 8.270 -0.000 0.000 0.511 97 A N 0.006 122.897 122.820 0.118 0.000 2.312 97 A HA 0.400 4.731 4.320 0.018 0.000 0.215 97 A C 0.565 178.337 177.584 0.313 0.000 1.256 97 A CA 0.166 52.294 52.037 0.151 0.000 0.966 97 A CB 0.500 19.558 19.000 0.096 0.000 1.053 97 A HN 0.207 8.357 8.150 -0.000 0.000 0.510 98 V N -1.181 118.895 119.914 0.270 0.000 2.997 98 V HA 0.656 4.787 4.120 0.018 0.000 0.311 98 V C -0.295 175.965 176.094 0.276 0.000 1.066 98 V CA -0.742 61.755 62.300 0.327 0.000 1.039 98 V CB 1.201 33.127 31.823 0.172 0.000 1.081 98 V HN 0.441 8.631 8.190 -0.000 0.000 0.467 99 N N 0.391 119.283 118.700 0.319 0.000 2.905 99 N HA 0.530 5.281 4.740 0.018 0.000 0.255 99 N C -1.855 173.691 175.510 0.060 0.000 1.199 99 N CA -0.367 52.783 53.050 0.166 0.000 0.911 99 N CB 1.165 39.741 38.487 0.149 0.000 1.550 99 N HN 0.765 9.145 8.380 -0.000 0.000 0.599 100 F N 4.679 124.485 119.950 -0.240 0.000 2.668 100 F HA 0.612 5.150 4.527 0.020 0.000 0.309 100 F C -1.903 173.652 175.800 -0.409 0.000 1.117 100 F CA -1.769 55.957 58.000 -0.457 0.000 0.951 100 F CB 1.845 40.464 39.000 -0.635 0.000 1.323 100 F HN 0.234 8.534 8.300 -0.000 0.000 0.451 101 P HA -0.161 4.259 4.420 -0.000 0.000 0.218 101 P C 0.761 177.619 177.300 -0.736 0.000 1.148 101 P CA 1.746 64.142 63.100 -1.174 0.000 0.822 101 P CB 0.014 30.574 31.700 -1.899 0.000 0.784 102 F N -0.760 119.065 119.950 -0.208 0.000 2.660 102 F HA 0.314 4.851 4.527 0.017 0.000 0.297 102 F C 1.064 176.946 175.800 0.135 0.000 1.132 102 F CA -0.531 57.490 58.000 0.035 0.000 1.372 102 F CB -0.690 38.365 39.000 0.091 0.000 1.003 102 F HN -0.214 8.086 8.300 -0.000 0.000 0.524 103 L N 0.498 121.861 121.223 0.234 0.000 2.341 103 L HA 0.470 4.821 4.340 0.018 0.000 0.278 103 L C -0.253 176.748 176.870 0.218 0.000 1.005 103 L CA -1.110 53.899 54.840 0.282 0.000 0.818 103 L CB 2.253 44.521 42.059 0.349 0.000 1.259 103 L HN -0.333 7.897 8.230 -0.000 0.000 0.418 104 V N 3.653 123.715 119.914 0.247 0.000 2.446 104 V HA 0.054 4.185 4.120 0.018 0.000 0.276 104 V C 0.395 176.620 176.094 0.217 0.000 1.030 104 V CA -0.306 62.123 62.300 0.215 0.000 1.033 104 V CB 0.522 32.474 31.823 0.215 0.000 0.993 104 V HN 0.561 8.751 8.190 -0.000 0.000 0.477 105 K N 4.256 124.763 120.400 0.178 0.000 2.202 105 K HA 0.415 4.746 4.320 0.018 0.000 0.264 105 K C -0.361 176.345 176.600 0.177 0.000 1.010 105 K CA -0.409 55.973 56.287 0.157 0.000 0.940 105 K CB 0.678 33.250 32.500 0.121 0.000 0.983 105 K HN 0.577 8.827 8.250 -0.000 0.000 0.475 106 L N 3.422 124.730 121.223 0.142 0.000 2.265 106 L HA 0.165 4.516 4.340 0.018 0.000 0.289 106 L C 0.633 177.550 176.870 0.079 0.000 1.033 106 L CA -0.117 54.807 54.840 0.139 0.000 0.814 106 L CB 0.917 43.043 42.059 0.112 0.000 1.203 106 L HN 0.598 8.828 8.230 -0.000 0.000 0.423 107 E N 4.485 124.743 120.200 0.097 0.000 2.086 107 E HA 0.087 4.448 4.350 0.018 0.000 0.190 107 E C -0.519 175.815 176.600 -0.443 0.000 0.975 107 E CA 1.020 57.316 56.400 -0.173 0.000 0.813 107 E CB 0.302 29.957 29.700 -0.075 0.000 0.768 107 E HN 0.433 8.793 8.360 -0.000 0.000 0.457 108 F N -0.707 119.279 119.950 0.061 0.000 2.650 108 F HA 0.437 4.975 4.527 0.018 0.000 0.320 108 F C -0.237 175.630 175.800 0.113 0.000 1.091 108 F CA -1.193 56.877 58.000 0.116 0.000 0.962 108 F CB 1.858 40.961 39.000 0.171 0.000 1.363 108 F HN -0.279 8.021 8.300 -0.000 0.000 0.482 109 S N 1.230 117.181 115.700 0.420 0.000 2.582 109 S HA 0.762 5.243 4.470 0.018 0.000 0.287 109 S C -1.615 173.203 174.600 0.364 0.000 1.146 109 S CA -0.685 57.636 58.200 0.203 0.000 0.941 109 S CB 0.413 63.623 63.200 0.017 0.000 1.115 109 S HN 0.870 9.180 8.310 -0.000 0.000 0.458 110 F N 0.746 120.868 119.950 0.286 0.000 2.869 110 F HA 0.916 5.455 4.527 0.019 0.000 0.325 110 F C -0.903 175.122 175.800 0.375 0.000 1.184 110 F CA -0.999 57.147 58.000 0.244 0.000 0.951 110 F CB 0.772 39.813 39.000 0.069 0.000 1.421 110 F HN 0.840 9.140 8.300 -0.000 0.000 0.501 111 K N -0.481 120.158 120.400 0.399 0.000 2.579 111 K HA 0.617 4.948 4.320 0.018 0.000 0.284 111 K C -2.256 174.476 176.600 0.220 0.000 0.990 111 K CA -0.784 55.624 56.287 0.202 0.000 0.880 111 K CB 2.960 35.473 32.500 0.021 0.000 1.488 111 K HN 0.747 8.997 8.250 -0.000 0.000 0.425 112 D N 0.204 120.694 120.400 0.151 0.000 2.846 112 D HA 0.172 4.823 4.640 0.018 0.000 0.273 112 D C -0.037 176.290 176.300 0.046 0.000 1.145 112 D CA -0.653 53.414 54.000 0.112 0.000 1.091 112 D CB -0.076 40.827 40.800 0.171 0.000 1.364 112 D HN 0.473 8.843 8.370 -0.000 0.000 0.613 113 N N -0.910 117.818 118.700 0.047 0.000 2.567 113 N HA 0.033 4.784 4.740 0.018 0.000 0.195 113 N C 0.436 175.947 175.510 0.003 0.000 1.242 113 N CA 0.538 53.605 53.050 0.029 0.000 0.884 113 N CB 0.176 38.685 38.487 0.037 0.000 1.007 113 N HN 0.352 8.732 8.380 -0.000 0.000 0.450 114 S N -1.325 114.357 115.700 -0.029 0.000 2.874 114 S HA 0.193 4.674 4.470 0.018 0.000 0.271 114 S C -0.421 174.052 174.600 -0.211 0.000 1.061 114 S CA -0.401 57.752 58.200 -0.078 0.000 1.029 114 S CB 0.200 63.382 63.200 -0.031 0.000 0.925 114 S HN 0.303 8.613 8.310 -0.000 0.000 0.459 115 N N 0.569 119.077 118.700 -0.320 0.000 2.853 115 N HA 0.461 5.212 4.740 0.018 0.000 0.258 115 N C -1.717 173.251 175.510 -0.903 0.000 1.444 115 N CA -0.696 51.972 53.050 -0.636 0.000 0.837 115 N CB 1.038 39.090 38.487 -0.724 0.000 1.489 115 N HN 0.173 8.553 8.380 -0.000 0.000 0.529 116 L N 0.441 120.992 121.223 -1.119 0.000 2.329 116 L HA 0.538 4.889 4.340 0.018 0.000 0.279 116 L C -1.298 174.913 176.870 -1.098 0.000 1.014 116 L CA -0.796 53.311 54.840 -1.223 0.000 0.814 116 L CB 0.668 41.679 42.059 -1.745 0.000 1.257 116 L HN 0.478 8.708 8.230 -0.000 0.000 0.424 117 Y N 2.447 122.410 120.300 -0.563 0.000 2.361 117 Y HA 0.612 5.173 4.550 0.018 0.000 0.337 117 Y C -0.207 175.494 175.900 -0.332 0.000 0.965 117 Y CA -0.751 57.012 58.100 -0.561 0.000 1.091 117 Y CB 1.996 39.778 38.460 -1.130 0.000 1.182 117 Y HN 0.433 8.713 8.280 -0.000 0.000 0.450 118 M N 4.275 123.877 119.600 0.005 0.000 2.046 118 M HA 0.418 4.909 4.480 0.018 0.000 0.309 118 M C -1.312 175.028 176.300 0.066 0.000 0.935 118 M CA -0.710 54.643 55.300 0.088 0.000 0.915 118 M CB 1.437 34.134 32.600 0.162 0.000 1.474 118 M HN 0.313 8.603 8.290 -0.000 0.000 0.415 119 V N 4.945 124.901 119.914 0.071 0.000 2.320 119 V HA 0.360 4.490 4.120 0.018 0.000 0.265 119 V C 0.162 176.407 176.094 0.252 0.000 1.048 119 V CA -0.144 62.222 62.300 0.110 0.000 0.865 119 V CB 0.344 32.151 31.823 -0.027 0.000 1.043 119 V HN 0.884 9.074 8.190 -0.000 0.000 0.474 120 M N 2.701 122.475 119.600 0.290 0.000 2.527 120 M HA 0.469 4.960 4.480 0.018 0.000 0.283 120 M C 0.303 176.883 176.300 0.468 0.000 1.188 120 M CA -0.508 54.988 55.300 0.327 0.000 0.941 120 M CB 0.935 33.692 32.600 0.261 0.000 1.498 120 M HN 0.522 8.812 8.290 -0.000 0.000 0.510 121 E N 0.777 121.210 120.200 0.388 0.000 2.324 121 E HA 0.031 4.392 4.350 0.018 0.000 0.271 121 E C -1.375 175.437 176.600 0.353 0.000 1.028 121 E CA -0.276 56.350 56.400 0.377 0.000 0.890 121 E CB 0.217 30.063 29.700 0.242 0.000 1.004 121 E HN 0.379 8.739 8.360 -0.000 0.000 0.431 122 Y N 3.651 124.089 120.300 0.231 0.000 2.537 122 Y HA 0.122 4.683 4.550 0.018 0.000 0.339 122 Y C -0.735 175.264 175.900 0.166 0.000 1.066 122 Y CA -0.846 57.375 58.100 0.201 0.000 1.357 122 Y CB 0.417 39.006 38.460 0.214 0.000 1.175 122 Y HN 0.231 8.511 8.280 -0.000 0.000 0.525 123 V N 10.470 130.287 119.914 -0.161 0.000 2.318 123 V HA 0.210 4.341 4.120 0.018 0.000 0.271 123 V C -1.535 174.293 176.094 -0.443 0.000 1.030 123 V CA -1.277 60.889 62.300 -0.223 0.000 0.844 123 V CB 1.110 32.935 31.823 0.003 0.000 1.015 123 V HN 0.749 8.939 8.190 -0.000 0.000 0.460 124 P HA 0.017 4.437 4.420 -0.000 0.000 0.231 124 P C 1.319 178.784 177.300 0.276 0.000 1.168 124 P CA 0.759 63.707 63.100 -0.254 0.000 0.779 124 P CB 0.447 31.988 31.700 -0.265 0.000 0.844 125 G N -0.322 108.596 108.800 0.197 0.000 2.848 125 G HA2 0.291 4.262 3.960 0.018 0.000 0.208 125 G HA3 0.291 4.262 3.960 0.018 0.000 0.208 125 G C 0.909 176.106 174.900 0.496 0.000 1.152 125 G CA 0.351 45.657 45.100 0.344 0.000 0.789 125 G HN 0.568 8.858 8.290 -0.000 0.000 0.531 126 G N 0.320 109.343 108.800 0.373 0.000 2.740 126 G HA2 -0.263 3.708 3.960 0.018 0.000 0.250 126 G HA3 -0.263 3.708 3.960 0.018 0.000 0.250 126 G C -0.062 174.991 174.900 0.256 0.000 1.358 126 G CA -0.194 45.044 45.100 0.230 0.000 0.897 126 G HN 0.539 8.829 8.290 -0.000 0.000 0.567 127 E N -0.263 120.046 120.200 0.181 0.000 2.413 127 E HA 0.182 4.543 4.350 0.018 0.000 0.263 127 E C 1.659 178.445 176.600 0.310 0.000 1.015 127 E CA 0.345 56.862 56.400 0.195 0.000 0.916 127 E CB 0.614 30.427 29.700 0.188 0.000 0.947 127 E HN 0.603 8.963 8.360 -0.000 0.000 0.440 128 M N 3.577 123.314 119.600 0.229 0.000 2.394 128 M HA -0.097 4.394 4.480 0.018 0.000 0.264 128 M C 1.431 177.874 176.300 0.237 0.000 1.073 128 M CA 1.163 56.594 55.300 0.219 0.000 1.111 128 M CB 0.013 32.605 32.600 -0.014 0.000 1.401 128 M HN 0.606 8.896 8.290 -0.000 0.000 0.448 129 F N 1.137 121.114 119.950 0.045 0.000 2.075 129 F HA -0.149 4.389 4.527 0.018 0.000 0.297 129 F C 2.187 177.982 175.800 -0.008 0.000 1.113 129 F CA 2.092 60.093 58.000 0.001 0.000 1.218 129 F CB -0.800 38.201 39.000 0.002 0.000 0.984 129 F HN 0.215 8.515 8.300 -0.000 0.000 0.472 130 S N -0.288 115.399 115.700 -0.022 0.000 2.359 130 S HA -0.316 4.165 4.470 0.018 0.000 0.223 130 S C 1.718 176.154 174.600 -0.273 0.000 1.039 130 S CA 2.007 60.079 58.200 -0.213 0.000 1.042 130 S CB -1.012 62.072 63.200 -0.193 0.000 0.915 130 S HN 0.614 8.924 8.310 -0.000 0.000 0.439 131 H N 0.302 119.367 119.070 -0.009 0.000 2.423 131 H HA 0.086 4.653 4.556 0.018 0.000 0.297 131 H C 2.002 177.330 175.328 -0.000 0.000 1.075 131 H CA 1.075 57.109 56.048 -0.024 0.000 1.342 131 H CB -0.192 29.507 29.762 -0.105 0.000 1.395 131 H HN 0.177 8.457 8.280 -0.000 0.000 0.530 132 L N 0.454 121.673 121.223 -0.007 0.000 2.131 132 L HA -0.021 4.330 4.340 0.018 0.000 0.206 132 L C 1.923 178.634 176.870 -0.264 0.000 1.087 132 L CA 1.359 56.028 54.840 -0.285 0.000 0.767 132 L CB -0.094 41.648 42.059 -0.529 0.000 0.917 132 L HN 0.033 8.263 8.230 -0.000 0.000 0.441 133 R N -0.381 119.915 120.500 -0.339 0.000 2.115 133 R HA -0.080 4.270 4.340 0.018 0.000 0.226 133 R C 2.278 178.473 176.300 -0.176 0.000 1.100 133 R CA 1.096 57.001 56.100 -0.324 0.000 0.980 133 R CB -0.593 29.390 30.300 -0.527 0.000 0.875 133 R HN 0.453 8.723 8.270 -0.000 0.000 0.445 134 R N 0.605 121.027 120.500 -0.129 0.000 2.057 134 R HA -0.027 4.324 4.340 0.018 0.000 0.229 134 R C 1.971 178.270 176.300 -0.001 0.000 1.136 134 R CA 1.092 57.161 56.100 -0.052 0.000 0.952 134 R CB -0.193 30.091 30.300 -0.027 0.000 0.848 134 R HN -0.012 8.258 8.270 -0.000 0.000 0.430 135 I N 0.448 121.043 120.570 0.040 0.000 2.830 135 I HA -0.018 4.163 4.170 0.018 0.000 0.263 135 I C 1.561 177.713 176.117 0.060 0.000 1.230 135 I CA 1.579 62.935 61.300 0.092 0.000 1.480 135 I CB 0.119 38.248 38.000 0.214 0.000 1.095 135 I HN 0.676 8.886 8.210 -0.000 0.000 0.455 136 G N 0.703 109.502 108.800 -0.001 0.000 3.692 136 G HA2 -0.248 3.723 3.960 0.018 0.000 0.265 136 G HA3 -0.248 3.723 3.960 0.018 0.000 0.265 136 G C 0.495 175.362 174.900 -0.056 0.000 1.733 136 G CA 0.050 45.139 45.100 -0.017 0.000 1.144 136 G HN 0.460 8.750 8.290 -0.000 0.000 0.602 137 R N -0.434 120.062 120.500 -0.007 0.000 2.943 137 R HA 0.821 5.172 4.340 0.018 0.000 0.246 137 R C -1.129 175.278 176.300 0.179 0.000 1.201 137 R CA -0.867 55.211 56.100 -0.038 0.000 1.056 137 R CB 1.043 31.341 30.300 -0.004 0.000 1.243 137 R HN 0.344 8.614 8.270 -0.000 0.000 0.498 138 F N 0.697 120.669 119.950 0.036 0.000 2.480 138 F HA 0.335 4.873 4.527 0.018 0.000 0.329 138 F C 0.653 176.503 175.800 0.083 0.000 1.091 138 F CA -1.611 56.434 58.000 0.074 0.000 0.972 138 F CB 2.029 41.027 39.000 -0.003 0.000 1.150 138 F HN 0.757 9.057 8.300 -0.000 0.000 0.467 139 S N 1.308 117.180 115.700 0.286 0.000 2.580 139 S HA 0.102 4.582 4.470 0.018 0.000 0.266 139 S C 0.959 175.664 174.600 0.175 0.000 1.354 139 S CA -0.414 57.883 58.200 0.160 0.000 1.008 139 S CB 0.757 64.004 63.200 0.078 0.000 0.898 139 S HN 0.676 8.986 8.310 -0.000 0.000 0.555 140 E N 1.221 121.501 120.200 0.133 0.000 2.047 140 E HA -0.077 4.283 4.350 0.018 0.000 0.191 140 E C -0.787 175.814 176.600 0.002 0.000 0.987 140 E CA 1.181 57.692 56.400 0.186 0.000 0.799 140 E CB -1.352 28.488 29.700 0.233 0.000 0.752 140 E HN 0.583 8.943 8.360 -0.000 0.000 0.449 141 P HA -0.191 4.229 4.420 -0.000 0.000 0.218 141 P C 1.079 178.311 177.300 -0.113 0.000 1.148 141 P CA 1.329 64.307 63.100 -0.203 0.000 0.822 141 P CB -0.096 31.500 31.700 -0.174 0.000 0.784 142 H N -0.771 118.201 119.070 -0.164 0.000 2.395 142 H HA 0.037 4.605 4.556 0.019 0.000 0.299 142 H C 1.825 177.087 175.328 -0.109 0.000 1.070 142 H CA 0.940 56.839 56.048 -0.250 0.000 1.356 142 H CB 0.050 29.635 29.762 -0.296 0.000 1.401 142 H HN -0.013 8.267 8.280 -0.000 0.000 0.524 143 A N 1.603 124.509 122.820 0.142 0.000 1.855 143 A HA -0.175 4.156 4.320 0.018 0.000 0.215 143 A C 2.424 180.190 177.584 0.303 0.000 1.191 143 A CA 1.405 53.638 52.037 0.327 0.000 0.613 143 A CB -0.697 18.531 19.000 0.381 0.000 0.829 143 A HN 0.453 8.603 8.150 -0.000 0.000 0.442 144 R N -1.453 119.113 120.500 0.110 0.000 2.091 144 R HA -0.201 4.149 4.340 0.018 0.000 0.238 144 R C 1.976 178.229 176.300 -0.078 0.000 1.136 144 R CA 1.995 57.958 56.100 -0.229 0.000 0.959 144 R CB -0.544 29.104 30.300 -1.088 0.000 0.856 144 R HN 0.499 8.769 8.270 -0.000 0.000 0.437 145 F N 0.721 120.501 119.950 -0.283 0.000 2.091 145 F HA -0.281 4.257 4.527 0.019 0.000 0.299 145 F C 1.404 177.030 175.800 -0.289 0.000 1.103 145 F CA 1.643 59.423 58.000 -0.367 0.000 1.228 145 F CB -0.494 38.184 39.000 -0.536 0.000 0.984 145 F HN 0.031 8.331 8.300 -0.000 0.000 0.477 146 Y N 0.229 120.424 120.300 -0.175 0.000 2.220 146 Y HA 0.064 4.624 4.550 0.018 0.000 0.291 146 Y C 2.662 178.466 175.900 -0.159 0.000 1.129 146 Y CA 0.812 58.749 58.100 -0.270 0.000 1.161 146 Y CB -1.563 36.860 38.460 -0.062 0.000 0.997 146 Y HN 0.146 8.426 8.280 -0.000 0.000 0.522 147 A N 0.536 123.501 122.820 0.242 0.000 1.892 147 A HA -0.231 4.100 4.320 0.018 0.000 0.218 147 A C 2.527 180.283 177.584 0.287 0.000 1.188 147 A CA 2.382 54.623 52.037 0.339 0.000 0.631 147 A CB -1.403 17.972 19.000 0.625 0.000 0.822 147 A HN 0.416 8.566 8.150 -0.000 0.000 0.447 148 A N -0.730 122.246 122.820 0.261 0.000 1.903 148 A HA -0.319 4.012 4.320 0.018 0.000 0.219 148 A C 2.104 179.714 177.584 0.044 0.000 1.191 148 A CA 2.047 54.163 52.037 0.132 0.000 0.638 148 A CB -0.760 18.116 19.000 -0.207 0.000 0.823 148 A HN 0.697 8.847 8.150 -0.000 0.000 0.451 149 Q N -1.173 118.453 119.800 -0.291 0.000 2.291 149 Q HA -0.055 4.296 4.340 0.018 0.000 0.205 149 Q C 1.848 177.709 176.000 -0.232 0.000 0.970 149 Q CA 0.859 56.324 55.803 -0.563 0.000 0.876 149 Q CB -0.130 27.953 28.738 -1.091 0.000 0.935 149 Q HN 0.618 8.888 8.270 -0.000 0.000 0.455 150 I N -0.413 120.066 120.570 -0.152 0.000 2.339 150 I HA -0.157 4.024 4.170 0.018 0.000 0.245 150 I C 2.196 178.182 176.117 -0.217 0.000 1.096 150 I CA 0.781 61.912 61.300 -0.283 0.000 1.408 150 I CB -0.846 36.983 38.000 -0.284 0.000 1.092 150 I HN 0.023 8.233 8.210 -0.000 0.000 0.423 151 V N 1.310 121.287 119.914 0.105 0.000 2.380 151 V HA -0.280 3.850 4.120 0.018 0.000 0.251 151 V C 2.596 178.853 176.094 0.272 0.000 1.063 151 V CA 1.607 64.098 62.300 0.318 0.000 1.055 151 V CB -0.501 31.473 31.823 0.252 0.000 0.657 151 V HN 0.332 8.522 8.190 -0.000 0.000 0.455 152 L N -0.432 120.959 121.223 0.280 0.000 2.072 152 L HA -0.123 4.228 4.340 0.018 0.000 0.205 152 L C 2.565 179.569 176.870 0.223 0.000 1.079 152 L CA 1.947 57.008 54.840 0.369 0.000 0.752 152 L CB -0.987 41.481 42.059 0.681 0.000 0.906 152 L HN 0.379 8.609 8.230 -0.000 0.000 0.436 153 T N -0.496 114.187 114.554 0.215 0.000 2.962 153 T HA -0.103 4.258 4.350 0.018 0.000 0.270 153 T C 1.592 176.287 174.700 -0.008 0.000 1.088 153 T CA 0.937 63.030 62.100 -0.011 0.000 1.127 153 T CB -0.140 68.811 68.868 0.139 0.000 0.883 153 T HN 0.063 8.303 8.240 -0.000 0.000 0.493 154 F N 1.361 121.207 119.950 -0.174 0.000 2.262 154 F HA 0.238 4.777 4.527 0.020 0.000 0.292 154 F C 2.414 177.950 175.800 -0.440 0.000 1.081 154 F CA -0.343 57.341 58.000 -0.527 0.000 1.355 154 F CB -0.841 37.580 39.000 -0.965 0.000 1.069 154 F HN 0.183 8.483 8.300 -0.000 0.000 0.506 155 E N -0.393 119.885 120.200 0.130 0.000 2.086 155 E HA -0.318 4.043 4.350 0.018 0.000 0.200 155 E C 2.188 178.839 176.600 0.085 0.000 1.012 155 E CA 1.844 58.344 56.400 0.166 0.000 0.812 155 E CB -0.449 29.347 29.700 0.160 0.000 0.743 155 E HN 0.428 8.788 8.360 -0.000 0.000 0.453 156 Y N 1.153 121.352 120.300 -0.168 0.000 2.062 156 Y HA -0.229 4.332 4.550 0.019 0.000 0.272 156 Y C 2.244 178.037 175.900 -0.179 0.000 1.117 156 Y CA 1.835 59.782 58.100 -0.255 0.000 1.095 156 Y CB -0.833 37.139 38.460 -0.814 0.000 0.985 156 Y HN -0.013 8.267 8.280 -0.000 0.000 0.479 157 L N -0.229 120.780 121.223 -0.357 0.000 2.010 157 L HA -0.393 3.958 4.340 0.018 0.000 0.219 157 L C 2.595 179.343 176.870 -0.203 0.000 1.077 157 L CA 1.948 56.581 54.840 -0.345 0.000 0.773 157 L CB -0.949 41.150 42.059 0.066 0.000 0.892 157 L HN 0.417 8.647 8.230 -0.000 0.000 0.436 158 H N -0.679 118.274 119.070 -0.195 0.000 2.387 158 H HA -0.146 4.421 4.556 0.019 0.000 0.299 158 H C 2.583 177.797 175.328 -0.190 0.000 1.099 158 H CA 1.490 57.440 56.048 -0.165 0.000 1.315 158 H CB -0.564 29.173 29.762 -0.041 0.000 1.380 158 H HN 0.445 8.725 8.280 -0.000 0.000 0.513 159 S N 0.147 115.806 115.700 -0.070 0.000 2.442 159 S HA -0.068 4.413 4.470 0.018 0.000 0.236 159 S C 1.757 176.205 174.600 -0.254 0.000 1.007 159 S CA 0.687 58.817 58.200 -0.118 0.000 0.965 159 S CB -0.452 62.707 63.200 -0.068 0.000 0.773 159 S HN 0.371 8.681 8.310 -0.000 0.000 0.504 160 L N 1.175 122.127 121.223 -0.452 0.000 2.629 160 L HA 0.210 4.560 4.340 0.018 0.000 0.230 160 L C -0.099 176.463 176.870 -0.512 0.000 1.151 160 L CA 0.027 54.482 54.840 -0.643 0.000 0.924 160 L CB -0.528 40.801 42.059 -1.216 0.000 1.137 160 L HN 0.162 8.392 8.230 -0.000 0.000 0.457 161 D N 0.656 120.863 120.400 -0.321 0.000 2.870 161 D HA -0.173 4.477 4.640 0.018 0.000 0.228 161 D C -0.126 176.018 176.300 -0.261 0.000 1.147 161 D CA 0.890 54.743 54.000 -0.245 0.000 0.757 161 D CB -1.043 39.641 40.800 -0.193 0.000 1.091 161 D HN 0.268 8.638 8.370 -0.000 0.000 0.429 162 L N 0.488 121.542 121.223 -0.282 0.000 2.317 162 L HA 0.541 4.892 4.340 0.018 0.000 0.281 162 L C 0.699 177.506 176.870 -0.104 0.000 1.024 162 L CA -0.752 53.970 54.840 -0.196 0.000 0.810 162 L CB 1.654 43.566 42.059 -0.244 0.000 1.240 162 L HN -0.114 8.116 8.230 -0.000 0.000 0.427 163 I N 2.039 122.572 120.570 -0.062 0.000 2.441 163 I HA 0.122 4.302 4.170 0.018 0.000 0.295 163 I C -0.103 176.052 176.117 0.065 0.000 0.994 163 I CA -0.488 60.758 61.300 -0.090 0.000 1.144 163 I CB 2.063 39.984 38.000 -0.132 0.000 1.314 163 I HN 0.596 8.806 8.210 -0.000 0.000 0.445 164 Y N 6.411 126.667 120.300 -0.073 0.000 2.177 164 Y HA -0.009 4.552 4.550 0.017 0.000 0.291 164 Y C 1.087 177.015 175.900 0.045 0.000 1.117 164 Y CA 0.856 58.969 58.100 0.021 0.000 1.114 164 Y CB 0.160 38.630 38.460 0.017 0.000 1.017 164 Y HN 0.589 8.869 8.280 -0.000 0.000 0.505 165 R N 1.198 121.583 120.500 -0.192 0.000 3.158 165 R HA -0.252 4.099 4.340 0.018 0.000 0.244 165 R C -0.972 175.239 176.300 -0.149 0.000 0.900 165 R CA 1.021 57.043 56.100 -0.129 0.000 0.618 165 R CB -2.436 27.839 30.300 -0.043 0.000 1.061 165 R HN 0.418 8.688 8.270 -0.000 0.000 0.471 166 D N -0.270 119.959 120.400 -0.284 0.000 3.422 166 D HA 0.101 4.752 4.640 0.018 0.000 0.277 166 D C -1.128 175.167 176.300 -0.009 0.000 1.625 166 D CA -0.495 53.372 54.000 -0.221 0.000 0.811 166 D CB 0.297 40.768 40.800 -0.550 0.000 1.454 166 D HN 0.284 8.654 8.370 -0.000 0.000 0.573 167 L N 2.294 123.615 121.223 0.164 0.000 2.313 167 L HA 0.518 4.869 4.340 0.018 0.000 0.282 167 L C -0.357 176.308 176.870 -0.342 0.000 1.092 167 L CA 0.552 55.483 54.840 0.152 0.000 0.831 167 L CB 0.080 42.352 42.059 0.355 0.000 1.159 167 L HN 0.162 8.392 8.230 -0.000 0.000 0.442 168 K N 3.112 123.283 120.400 -0.382 0.000 2.639 168 K HA 0.414 4.745 4.320 0.018 0.000 0.279 168 K C -2.860 173.580 176.600 -0.266 0.000 0.976 168 K CA -1.370 54.515 56.287 -0.669 0.000 0.861 168 K CB 0.721 32.792 32.500 -0.715 0.000 1.436 168 K HN 0.052 8.302 8.250 -0.000 0.000 0.400 169 P HA -0.258 4.162 4.420 -0.000 0.000 0.217 169 P C 0.269 177.576 177.300 0.012 0.000 1.158 169 P CA 1.771 64.881 63.100 0.018 0.000 0.887 169 P CB 0.099 31.926 31.700 0.212 0.000 0.792 170 E N -1.692 118.434 120.200 -0.122 0.000 2.409 170 E HA -0.101 4.260 4.350 0.018 0.000 0.198 170 E C 1.371 177.912 176.600 -0.099 0.000 1.024 170 E CA 0.644 56.956 56.400 -0.148 0.000 0.861 170 E CB -0.663 28.811 29.700 -0.377 0.000 0.788 170 E HN 0.251 8.611 8.360 -0.000 0.000 0.521 171 N N -0.366 118.267 118.700 -0.111 0.000 2.236 171 N HA 0.121 4.871 4.740 0.018 0.000 0.196 171 N C -0.576 174.897 175.510 -0.061 0.000 1.114 171 N CA 0.160 53.153 53.050 -0.096 0.000 0.859 171 N CB 0.583 39.009 38.487 -0.102 0.000 0.982 171 N HN 0.122 8.502 8.380 -0.000 0.000 0.493 172 L N 1.480 122.674 121.223 -0.049 0.000 2.296 172 L HA 0.468 4.819 4.340 0.018 0.000 0.286 172 L C -0.290 176.583 176.870 0.004 0.000 1.023 172 L CA -0.491 54.322 54.840 -0.047 0.000 0.812 172 L CB 1.607 43.611 42.059 -0.091 0.000 1.223 172 L HN -0.227 8.003 8.230 -0.000 0.000 0.421 173 L N 3.954 125.192 121.223 0.025 0.000 2.332 173 L HA 0.602 4.953 4.340 0.018 0.000 0.269 173 L C -0.607 176.317 176.870 0.090 0.000 1.016 173 L CA -0.731 54.155 54.840 0.076 0.000 0.809 173 L CB 2.347 44.453 42.059 0.079 0.000 1.280 173 L HN 0.444 8.674 8.230 -0.000 0.000 0.447 174 I N 0.918 121.569 120.570 0.136 0.000 2.410 174 I HA 0.182 4.363 4.170 0.018 0.000 0.286 174 I C -0.501 175.703 176.117 0.145 0.000 1.009 174 I CA -0.628 60.768 61.300 0.161 0.000 1.111 174 I CB 1.526 39.630 38.000 0.172 0.000 1.262 174 I HN 0.606 8.816 8.210 -0.000 0.000 0.443 175 D N 4.213 124.698 120.400 0.142 0.000 2.380 175 D HA 0.004 4.655 4.640 0.018 0.000 0.254 175 D C 0.871 177.196 176.300 0.042 0.000 1.288 175 D CA -0.272 53.770 54.000 0.071 0.000 1.008 175 D CB 0.581 41.429 40.800 0.079 0.000 1.099 175 D HN 0.304 8.674 8.370 -0.000 0.000 0.537 176 Q N -1.153 118.619 119.800 -0.046 0.000 2.167 176 Q HA -0.117 4.234 4.340 0.018 0.000 0.202 176 Q C 1.891 177.857 176.000 -0.056 0.000 0.970 176 Q CA 1.564 57.303 55.803 -0.107 0.000 0.855 176 Q CB -0.272 28.314 28.738 -0.252 0.000 0.911 176 Q HN 0.600 8.870 8.270 -0.000 0.000 0.438 177 Q N -1.544 118.261 119.800 0.009 0.000 2.515 177 Q HA 0.145 4.496 4.340 0.018 0.000 0.212 177 Q C 0.671 176.787 176.000 0.192 0.000 0.970 177 Q CA 0.564 56.405 55.803 0.062 0.000 0.941 177 Q CB 0.288 29.047 28.738 0.034 0.000 0.998 177 Q HN 0.436 8.706 8.270 -0.000 0.000 0.518 178 G N 0.071 108.982 108.800 0.186 0.000 2.132 178 G HA2 -0.274 3.696 3.960 0.018 0.000 0.228 178 G HA3 -0.274 3.696 3.960 0.018 0.000 0.228 178 G C -0.574 174.541 174.900 0.359 0.000 1.000 178 G CA -0.368 44.856 45.100 0.206 0.000 0.693 178 G HN 0.257 8.546 8.290 -0.000 0.000 0.515 179 Y N -0.498 119.933 120.300 0.219 0.000 2.419 179 Y HA 0.677 5.238 4.550 0.018 0.000 0.328 179 Y C 1.188 177.200 175.900 0.186 0.000 1.162 179 Y CA -1.217 57.029 58.100 0.243 0.000 1.174 179 Y CB 1.024 39.594 38.460 0.184 0.000 1.228 179 Y HN 0.169 8.449 8.280 -0.000 0.000 0.473 180 I N 3.423 124.092 120.570 0.164 0.000 2.588 180 I HA 0.062 4.243 4.170 0.018 0.000 0.283 180 I C -0.577 175.617 176.117 0.129 0.000 1.119 180 I CA 0.003 61.349 61.300 0.077 0.000 1.419 180 I CB 0.364 38.323 38.000 -0.069 0.000 1.394 180 I HN 0.406 8.616 8.210 -0.000 0.000 0.562 181 Q N 6.033 125.895 119.800 0.103 0.000 2.292 181 Q HA 0.399 4.749 4.340 0.018 0.000 0.270 181 Q C -1.000 175.041 176.000 0.069 0.000 1.024 181 Q CA -0.629 55.252 55.803 0.131 0.000 0.768 181 Q CB 2.349 31.168 28.738 0.134 0.000 1.250 181 Q HN 0.333 8.603 8.270 -0.000 0.000 0.447 182 V N 1.497 121.449 119.914 0.065 0.000 2.644 182 V HA 0.456 4.587 4.120 0.018 0.000 0.295 182 V C 0.914 177.035 176.094 0.044 0.000 1.053 182 V CA 0.169 62.442 62.300 -0.045 0.000 0.987 182 V CB 1.642 33.354 31.823 -0.186 0.000 1.006 182 V HN 0.992 9.182 8.190 -0.000 0.000 0.472 183 T N 0.939 115.477 114.554 -0.027 0.000 3.172 183 T HA 0.076 4.437 4.350 0.018 0.000 0.261 183 T C -0.097 174.619 174.700 0.027 0.000 0.854 183 T CA 0.108 62.265 62.100 0.095 0.000 0.848 183 T CB -0.072 68.857 68.868 0.102 0.000 1.267 183 T HN 0.774 9.014 8.240 -0.000 0.000 0.581 184 D N 0.687 120.993 120.400 -0.157 0.000 2.359 184 D HA 0.380 5.030 4.640 0.018 0.000 0.230 184 D C -0.366 175.730 176.300 -0.340 0.000 1.118 184 D CA -0.461 53.425 54.000 -0.190 0.000 0.844 184 D CB 0.332 40.985 40.800 -0.245 0.000 1.059 184 D HN 0.174 8.544 8.370 -0.000 0.000 0.493 185 F N 2.346 122.352 119.950 0.094 0.000 2.772 185 F HA 0.338 4.875 4.527 0.017 0.000 0.302 185 F C 1.951 177.780 175.800 0.048 0.000 1.136 185 F CA -0.558 57.523 58.000 0.135 0.000 1.322 185 F CB 0.955 40.089 39.000 0.223 0.000 0.967 185 F HN 0.591 8.891 8.300 -0.000 0.000 0.513 186 G N -0.210 108.565 108.800 -0.040 0.000 2.443 186 G HA2 -0.215 3.756 3.960 0.018 0.000 0.219 186 G HA3 -0.215 3.756 3.960 0.018 0.000 0.219 186 G C 1.173 176.195 174.900 0.203 0.000 1.131 186 G CA 0.708 45.801 45.100 -0.011 0.000 0.775 186 G HN 0.240 8.530 8.290 -0.000 0.000 0.547 187 F N 1.190 121.083 119.950 -0.094 0.000 2.664 187 F HA 0.578 5.117 4.527 0.019 0.000 0.303 187 F C 1.368 177.133 175.800 -0.058 0.000 1.092 187 F CA -1.471 56.463 58.000 -0.110 0.000 1.305 187 F CB -0.439 38.439 39.000 -0.203 0.000 1.054 187 F HN 0.114 8.414 8.300 -0.000 0.000 0.565 188 A N 1.108 124.056 122.820 0.213 0.000 2.425 188 A HA 0.413 4.744 4.320 0.018 0.000 0.249 188 A C 0.396 178.126 177.584 0.242 0.000 1.084 188 A CA -0.114 52.075 52.037 0.254 0.000 0.781 188 A CB 0.415 19.744 19.000 0.548 0.000 1.019 188 A HN 0.170 8.320 8.150 -0.000 0.000 0.490 189 K N 1.450 121.949 120.400 0.164 0.000 2.507 189 K HA 0.304 4.634 4.320 0.018 0.000 0.251 189 K C -0.910 175.729 176.600 0.066 0.000 0.943 189 K CA -0.926 55.440 56.287 0.131 0.000 0.794 189 K CB 1.624 34.170 32.500 0.076 0.000 1.188 189 K HN 0.677 8.927 8.250 -0.000 0.000 0.428 190 R N 2.836 123.400 120.500 0.107 0.000 2.387 190 R HA 0.150 4.501 4.340 0.018 0.000 0.321 190 R C -1.010 175.293 176.300 0.005 0.000 1.174 190 R CA 0.002 56.117 56.100 0.026 0.000 1.002 190 R CB -0.343 30.058 30.300 0.170 0.000 1.028 190 R HN 0.310 8.580 8.270 -0.000 0.000 0.482 191 V N 3.050 122.922 119.914 -0.071 0.000 2.697 191 V HA 0.295 4.426 4.120 0.018 0.000 0.300 191 V C 0.721 176.742 176.094 -0.122 0.000 1.115 191 V CA -1.015 61.234 62.300 -0.085 0.000 0.912 191 V CB 1.761 33.514 31.823 -0.117 0.000 1.024 191 V HN 0.683 8.873 8.190 -0.000 0.000 0.431 192 K N 2.918 123.262 120.400 -0.093 0.000 2.116 192 K HA 0.147 4.478 4.320 0.018 0.000 0.203 192 K C 1.108 177.646 176.600 -0.103 0.000 1.052 192 K CA 1.452 57.684 56.287 -0.092 0.000 0.952 192 K CB 0.126 32.592 32.500 -0.056 0.000 0.729 192 K HN 0.870 9.120 8.250 -0.000 0.000 0.446 193 G N 1.206 109.940 108.800 -0.110 0.000 2.754 193 G HA2 0.249 4.220 3.960 0.018 0.000 0.210 193 G HA3 0.249 4.220 3.960 0.018 0.000 0.210 193 G C -0.052 174.712 174.900 -0.226 0.000 2.092 193 G CA -0.481 44.542 45.100 -0.129 0.000 0.766 193 G HN 0.043 8.333 8.290 -0.000 0.000 0.745 194 R N -0.793 119.519 120.500 -0.313 0.000 2.854 194 R HA 0.681 5.032 4.340 0.018 0.000 0.271 194 R C -1.410 174.368 176.300 -0.870 0.000 0.994 194 R CA -0.416 55.315 56.100 -0.615 0.000 0.945 194 R CB 1.959 31.841 30.300 -0.696 0.000 1.194 194 R HN 0.400 8.670 8.270 -0.000 0.000 0.476 195 T N 0.043 113.882 114.554 -1.192 0.000 2.883 195 T HA 0.598 4.959 4.350 0.018 0.000 0.296 195 T C -1.197 172.679 174.700 -1.375 0.000 1.117 195 T CA -0.540 60.958 62.100 -1.003 0.000 1.006 195 T CB 1.103 69.612 68.868 -0.599 0.000 1.191 195 T HN 0.372 8.612 8.240 -0.000 0.000 0.508 199 C N 1.405 120.542 119.300 -0.272 0.000 3.303 199 C HA 1.008 5.479 4.460 0.018 0.000 0.340 199 C C 0.213 174.983 174.990 -0.366 0.000 1.274 199 C CA 0.175 58.897 59.018 -0.493 0.000 1.234 199 C CB 1.300 28.459 27.740 -0.968 0.000 1.532 199 C HN 2.118 10.348 8.230 -0.000 0.000 0.483 200 G N 0.979 109.629 108.800 -0.249 0.000 2.280 200 G HA2 0.450 4.421 3.960 0.018 0.000 0.277 200 G HA3 0.450 4.421 3.960 0.018 0.000 0.277 200 G C -0.916 174.097 174.900 0.188 0.000 1.288 200 G CA -0.003 45.167 45.100 0.116 0.000 1.075 200 G HN 1.466 9.756 8.290 -0.000 0.000 0.480 201 T N 2.759 117.440 114.554 0.212 0.000 2.809 201 T HA 0.587 4.948 4.350 0.018 0.000 0.284 201 T C -1.410 173.447 174.700 0.261 0.000 0.992 201 T CA -0.632 61.603 62.100 0.226 0.000 0.957 201 T CB 2.322 71.329 68.868 0.232 0.000 0.942 201 T HN 0.283 8.523 8.240 -0.000 0.000 0.439 202 P HA -0.229 4.191 4.420 -0.000 0.000 0.226 202 P C 1.076 178.498 177.300 0.204 0.000 1.154 202 P CA 1.478 64.720 63.100 0.237 0.000 0.918 202 P CB 0.296 31.985 31.700 -0.018 0.000 0.790 203 E N -3.105 117.202 120.200 0.178 0.000 2.285 203 E HA -0.110 4.250 4.350 0.018 0.000 0.194 203 E C 1.317 177.916 176.600 -0.002 0.000 0.997 203 E CA 0.798 57.257 56.400 0.098 0.000 0.845 203 E CB -0.462 29.260 29.700 0.037 0.000 0.782 203 E HN 0.453 8.813 8.360 -0.000 0.000 0.491 204 Y N -0.240 120.204 120.300 0.240 0.000 2.458 204 Y HA 0.221 4.782 4.550 0.018 0.000 0.256 204 Y C 0.349 176.404 175.900 0.258 0.000 1.159 204 Y CA -0.301 57.965 58.100 0.277 0.000 1.261 204 Y CB 0.454 39.040 38.460 0.211 0.000 1.119 204 Y HN -0.107 8.173 8.280 -0.000 0.000 0.524 205 L N 0.906 122.272 121.223 0.238 0.000 2.453 205 L HA 0.255 4.605 4.340 0.018 0.000 0.272 205 L C 0.650 177.403 176.870 -0.196 0.000 1.182 205 L CA -0.496 54.352 54.840 0.013 0.000 0.858 205 L CB 0.449 42.489 42.059 -0.031 0.000 1.120 205 L HN 0.092 8.322 8.230 -0.000 0.000 0.474 206 A N 5.206 127.758 122.820 -0.447 0.000 2.286 206 A HA 0.475 4.806 4.320 0.018 0.000 0.286 206 A C -1.669 175.410 177.584 -0.841 0.000 1.097 206 A CA -1.421 49.998 52.037 -1.030 0.000 0.821 206 A CB 0.376 18.968 19.000 -0.680 0.000 1.076 206 A HN 0.566 8.716 8.150 -0.000 0.000 0.490 207 P HA -0.273 4.147 4.420 -0.000 0.000 0.214 207 P C 1.243 178.284 177.300 -0.432 0.000 1.169 207 P CA 2.022 64.749 63.100 -0.622 0.000 0.908 207 P CB -0.114 31.238 31.700 -0.578 0.000 0.791 208 E N -0.076 119.895 120.200 -0.381 0.000 2.253 208 E HA -0.207 4.154 4.350 0.018 0.000 0.202 208 E C 1.906 178.353 176.600 -0.254 0.000 1.014 208 E CA 1.372 57.628 56.400 -0.239 0.000 0.823 208 E CB -1.189 28.414 29.700 -0.161 0.000 0.736 208 E HN 0.327 8.687 8.360 -0.000 0.000 0.478 209 I N 0.223 120.531 120.570 -0.437 0.000 2.716 209 I HA -0.082 4.099 4.170 0.018 0.000 0.259 209 I C 2.433 178.336 176.117 -0.357 0.000 1.172 209 I CA 0.408 61.407 61.300 -0.501 0.000 1.478 209 I CB -0.167 37.423 38.000 -0.683 0.000 1.104 209 I HN 0.015 8.225 8.210 -0.000 0.000 0.439 210 I N 0.894 121.232 120.570 -0.387 0.000 2.193 210 I HA -0.224 3.957 4.170 0.018 0.000 0.240 210 I C 2.143 178.087 176.117 -0.290 0.000 1.084 210 I CA 1.263 62.308 61.300 -0.424 0.000 1.365 210 I CB -0.102 37.632 38.000 -0.443 0.000 1.064 210 I HN 0.094 8.304 8.210 -0.000 0.000 0.410 211 L N 0.403 121.491 121.223 -0.224 0.000 2.721 211 L HA -0.093 4.257 4.340 0.018 0.000 0.241 211 L C 0.844 177.669 176.870 -0.076 0.000 1.168 211 L CA 0.267 55.023 54.840 -0.140 0.000 0.866 211 L CB -0.623 41.362 42.059 -0.123 0.000 0.996 211 L HN 0.296 8.526 8.230 -0.000 0.000 0.451 212 S N -0.505 115.158 115.700 -0.062 0.000 3.635 212 S HA -0.162 4.319 4.470 0.018 0.000 0.328 212 S C 0.370 175.043 174.600 0.121 0.000 1.135 212 S CA 0.909 59.128 58.200 0.032 0.000 0.942 212 S CB -0.986 62.219 63.200 0.008 0.000 0.930 212 S HN 0.476 8.786 8.310 -0.000 0.000 0.512 213 K N 0.548 121.009 120.400 0.102 0.000 2.095 213 K HA 0.506 4.837 4.320 0.018 0.000 0.252 213 K C 0.872 177.545 176.600 0.122 0.000 0.977 213 K CA -0.191 56.174 56.287 0.129 0.000 0.900 213 K CB 0.863 33.385 32.500 0.036 0.000 1.060 213 K HN 0.244 8.494 8.250 -0.000 0.000 0.449 214 G N 1.886 110.719 108.800 0.056 0.000 2.361 214 G HA2 0.237 4.208 3.960 0.018 0.000 0.260 214 G HA3 0.237 4.208 3.960 0.018 0.000 0.260 214 G C -0.804 173.852 174.900 -0.406 0.000 1.261 214 G CA -0.030 44.702 45.100 -0.612 0.000 0.897 214 G HN 0.519 8.809 8.290 -0.000 0.000 0.499 215 Y N 1.050 121.024 120.300 -0.543 0.000 2.524 215 Y HA 0.684 5.241 4.550 0.012 0.000 0.344 215 Y C 0.059 175.756 175.900 -0.338 0.000 1.012 215 Y CA -1.814 56.084 58.100 -0.338 0.000 1.068 215 Y CB 1.266 39.570 38.460 -0.260 0.000 1.249 215 Y HN 0.595 8.875 8.280 -0.000 0.000 0.468 216 N N 0.591 119.223 118.700 -0.114 0.000 2.909 216 N HA 0.338 5.089 4.740 0.018 0.000 0.326 216 N C -0.072 175.377 175.510 -0.101 0.000 1.368 216 N CA -0.776 52.175 53.050 -0.165 0.000 0.797 216 N CB 0.540 38.954 38.487 -0.123 0.000 1.150 216 N HN 0.560 8.940 8.380 -0.000 0.000 0.550 217 K N -0.983 119.306 120.400 -0.186 0.000 2.486 217 K HA 0.259 4.590 4.320 0.018 0.000 0.194 217 K C 1.429 177.920 176.600 -0.183 0.000 1.033 217 K CA 0.574 56.642 56.287 -0.366 0.000 1.004 217 K CB -0.184 31.881 32.500 -0.725 0.000 0.798 217 K HN 0.536 8.786 8.250 -0.000 0.000 0.495 218 A N 1.000 123.851 122.820 0.052 0.000 2.070 218 A HA -0.124 4.206 4.320 0.018 0.000 0.220 218 A C 2.247 179.977 177.584 0.244 0.000 1.159 218 A CA 1.518 53.717 52.037 0.268 0.000 0.656 218 A CB -0.775 18.370 19.000 0.243 0.000 0.800 218 A HN 0.195 8.345 8.150 -0.000 0.000 0.453 219 V N -1.760 118.215 119.914 0.102 0.000 2.343 219 V HA -0.238 3.893 4.120 0.018 0.000 0.247 219 V C 1.775 177.940 176.094 0.119 0.000 1.051 219 V CA 2.334 64.689 62.300 0.091 0.000 1.036 219 V CB -1.022 30.759 31.823 -0.071 0.000 0.654 219 V HN 0.394 8.584 8.190 -0.000 0.000 0.451 220 D N -0.328 120.008 120.400 -0.107 0.000 2.228 220 D HA -0.178 4.473 4.640 0.018 0.000 0.203 220 D C 1.750 177.974 176.300 -0.128 0.000 0.988 220 D CA 1.818 55.606 54.000 -0.353 0.000 0.864 220 D CB -0.324 39.897 40.800 -0.966 0.000 0.928 220 D HN 0.775 9.145 8.370 -0.000 0.000 0.469 221 W N -0.208 121.262 121.300 0.283 0.000 2.576 221 W HA 0.000 4.668 4.660 0.013 0.000 0.270 221 W C 2.338 179.055 176.519 0.330 0.000 1.255 221 W CA -0.597 56.951 57.345 0.339 0.000 1.314 221 W CB -0.194 29.445 29.460 0.299 0.000 1.101 221 W HN 0.040 8.220 8.180 -0.000 0.000 0.595 222 W N 1.287 122.795 121.300 0.347 0.000 2.408 222 W HA -0.151 4.520 4.660 0.018 0.000 0.311 222 W C 2.106 178.804 176.519 0.297 0.000 1.190 222 W CA 2.171 59.676 57.345 0.266 0.000 1.321 222 W CB -0.935 28.620 29.460 0.159 0.000 1.143 222 W HN -0.126 8.054 8.180 -0.000 0.000 0.501 223 A N 1.147 124.291 122.820 0.540 0.000 2.042 223 A HA -0.266 4.065 4.320 0.018 0.000 0.222 223 A C 1.989 179.868 177.584 0.491 0.000 1.167 223 A CA 2.054 54.424 52.037 0.556 0.000 0.649 223 A CB -1.080 18.218 19.000 0.497 0.000 0.809 223 A HN 0.412 8.562 8.150 -0.000 0.000 0.457 224 L N -0.483 121.015 121.223 0.457 0.000 2.072 224 L HA 0.111 4.461 4.340 0.018 0.000 0.205 224 L C 2.411 179.447 176.870 0.276 0.000 1.079 224 L CA 2.144 57.234 54.840 0.416 0.000 0.752 224 L CB -0.943 41.458 42.059 0.569 0.000 0.906 224 L HN 0.263 8.493 8.230 -0.000 0.000 0.436 225 G N -0.956 107.946 108.800 0.170 0.000 2.432 225 G HA2 -0.188 3.783 3.960 0.018 0.000 0.219 225 G HA3 -0.188 3.783 3.960 0.018 0.000 0.219 225 G C 1.479 176.380 174.900 0.002 0.000 1.135 225 G CA 1.064 46.168 45.100 0.006 0.000 0.767 225 G HN 0.329 8.619 8.290 -0.000 0.000 0.550 226 V N 0.491 120.404 119.914 -0.002 0.000 2.307 226 V HA -0.105 4.026 4.120 0.018 0.000 0.245 226 V C 2.661 178.865 176.094 0.184 0.000 1.045 226 V CA 1.600 63.889 62.300 -0.020 0.000 1.024 226 V CB -0.391 31.358 31.823 -0.124 0.000 0.651 226 V HN 0.362 8.552 8.190 -0.000 0.000 0.449 227 L N -0.276 121.172 121.223 0.376 0.000 2.046 227 L HA -0.117 4.234 4.340 0.018 0.000 0.208 227 L C 2.163 179.167 176.870 0.224 0.000 1.077 227 L CA 1.881 56.949 54.840 0.379 0.000 0.747 227 L CB -0.332 41.921 42.059 0.323 0.000 0.896 227 L HN 0.205 8.435 8.230 -0.000 0.000 0.432 228 I N -1.780 118.890 120.570 0.168 0.000 2.394 228 I HA -0.300 3.881 4.170 0.018 0.000 0.251 228 I C 2.198 178.312 176.117 -0.004 0.000 1.136 228 I CA 1.146 62.482 61.300 0.060 0.000 1.425 228 I CB -0.297 37.656 38.000 -0.078 0.000 1.079 228 I HN 0.351 8.561 8.210 -0.000 0.000 0.425 229 Y N 1.471 121.747 120.300 -0.039 0.000 2.153 229 Y HA -0.225 4.337 4.550 0.019 0.000 0.289 229 Y C 2.532 178.454 175.900 0.037 0.000 1.127 229 Y CA 1.782 59.906 58.100 0.040 0.000 1.131 229 Y CB -0.208 38.258 38.460 0.009 0.000 0.995 229 Y HN 0.119 8.399 8.280 -0.000 0.000 0.505 230 E N -0.404 119.967 120.200 0.285 0.000 2.204 230 E HA -0.206 4.155 4.350 0.018 0.000 0.195 230 E C 2.102 178.688 176.600 -0.024 0.000 0.990 230 E CA 1.218 57.708 56.400 0.149 0.000 0.821 230 E CB -0.124 29.696 29.700 0.200 0.000 0.750 230 E HN 0.536 8.896 8.360 -0.000 0.000 0.477 231 M N -0.324 119.268 119.600 -0.013 0.000 2.156 231 M HA -0.075 4.416 4.480 0.018 0.000 0.264 231 M C 2.319 178.575 176.300 -0.073 0.000 1.067 231 M CA 1.401 56.624 55.300 -0.127 0.000 1.131 231 M CB 0.042 32.698 32.600 0.094 0.000 1.368 231 M HN 0.173 8.463 8.290 -0.000 0.000 0.416 232 A N -0.507 122.318 122.820 0.008 0.000 2.072 232 A HA 0.251 4.582 4.320 0.018 0.000 0.216 232 A C 2.124 179.870 177.584 0.269 0.000 1.156 232 A CA 1.334 53.427 52.037 0.093 0.000 0.701 232 A CB -0.384 18.498 19.000 -0.197 0.000 0.816 232 A HN 0.460 8.610 8.150 -0.000 0.000 0.458 233 A N -2.301 120.543 122.820 0.040 0.000 1.973 233 A HA 0.447 4.778 4.320 0.018 0.000 0.210 233 A C 1.910 179.235 177.584 -0.432 0.000 1.200 233 A CA 1.341 53.196 52.037 -0.302 0.000 0.707 233 A CB -0.353 18.082 19.000 -0.940 0.000 0.862 233 A HN 1.696 9.846 8.150 -0.000 0.000 0.461 234 G N -2.300 106.305 108.800 -0.325 0.000 2.213 234 G HA2 -0.215 3.756 3.960 0.018 0.000 0.226 234 G HA3 -0.215 3.756 3.960 0.018 0.000 0.226 234 G C 0.091 174.946 174.900 -0.074 0.000 0.992 234 G CA 0.465 45.450 45.100 -0.192 0.000 0.632 234 G HN 1.441 9.731 8.290 -0.000 0.000 0.511 235 Y N -0.952 119.390 120.300 0.070 0.000 2.534 235 Y HA 0.792 5.352 4.550 0.017 0.000 0.345 235 Y C -2.654 173.400 175.900 0.258 0.000 1.031 235 Y CA -3.075 55.072 58.100 0.078 0.000 1.022 235 Y CB 0.827 39.257 38.460 -0.050 0.000 1.292 235 Y HN 0.068 8.348 8.280 -0.000 0.000 0.459 236 P HA 0.042 4.462 4.420 -0.000 0.000 0.268 236 P C -2.123 175.192 177.300 0.026 0.000 1.208 236 P CA -1.092 62.135 63.100 0.212 0.000 0.777 236 P CB 1.071 32.866 31.700 0.159 0.000 0.875 237 P HA -0.050 4.370 4.420 -0.000 0.000 0.218 237 P C -0.211 176.314 177.300 -1.293 0.000 1.149 237 P CA 1.487 63.627 63.100 -1.599 0.000 0.817 237 P CB 0.044 30.544 31.700 -2.000 0.000 0.785 238 F N 0.475 120.253 119.950 -0.287 0.000 2.562 238 F HA 0.480 5.019 4.527 0.021 0.000 0.319 238 F C 0.019 175.701 175.800 -0.195 0.000 1.154 238 F CA -1.267 56.546 58.000 -0.312 0.000 0.931 238 F CB 1.186 40.083 39.000 -0.172 0.000 1.198 238 F HN -0.191 8.109 8.300 -0.000 0.000 0.444 239 F N 0.516 120.507 119.950 0.069 0.000 2.754 239 F HA 1.024 5.563 4.527 0.020 0.000 0.320 239 F C -0.685 175.119 175.800 0.006 0.000 1.156 239 F CA -1.736 56.283 58.000 0.031 0.000 0.950 239 F CB 1.258 40.275 39.000 0.028 0.000 1.388 239 F HN 0.763 9.063 8.300 -0.000 0.000 0.485 240 A N 0.099 123.099 122.820 0.300 0.000 2.375 240 A HA 0.348 4.679 4.320 0.018 0.000 0.299 240 A C -0.235 177.429 177.584 0.133 0.000 1.044 240 A CA 0.001 52.139 52.037 0.167 0.000 0.585 240 A CB -0.142 18.859 19.000 0.001 0.000 1.438 240 A HN 0.767 8.917 8.150 -0.000 0.000 0.574 241 D N -0.337 120.103 120.400 0.067 0.000 2.117 241 D HA 0.003 4.653 4.640 0.018 0.000 0.198 241 D C 0.013 176.318 176.300 0.009 0.000 0.982 241 D CA 1.506 55.529 54.000 0.038 0.000 0.828 241 D CB 0.300 41.113 40.800 0.022 0.000 0.967 241 D HN 0.423 8.793 8.370 -0.000 0.000 0.464 242 Q N -1.287 118.500 119.800 -0.022 0.000 2.456 242 Q HA 0.252 4.603 4.340 0.018 0.000 0.283 242 Q C -2.056 173.853 176.000 -0.152 0.000 1.084 242 Q CA -1.722 54.045 55.803 -0.061 0.000 0.801 242 Q CB 1.949 30.660 28.738 -0.045 0.000 1.434 242 Q HN -0.212 8.058 8.270 -0.000 0.000 0.419 243 P HA -0.229 4.191 4.420 -0.000 0.000 0.214 243 P C 1.277 178.111 177.300 -0.777 0.000 1.172 243 P CA 1.566 64.304 63.100 -0.603 0.000 0.925 243 P CB 0.046 31.463 31.700 -0.472 0.000 0.793 244 I N -0.928 119.438 120.570 -0.340 0.000 2.181 244 I HA -0.310 3.871 4.170 0.018 0.000 0.247 244 I C 2.309 178.384 176.117 -0.070 0.000 1.081 244 I CA 1.869 63.131 61.300 -0.062 0.000 1.340 244 I CB -1.445 36.566 38.000 0.019 0.000 1.036 244 I HN 0.067 8.277 8.210 -0.000 0.000 0.417 245 Q N -0.192 119.546 119.800 -0.105 0.000 2.297 245 Q HA -0.011 4.340 4.340 0.018 0.000 0.204 245 Q C 2.222 178.169 176.000 -0.089 0.000 0.962 245 Q CA 1.067 56.828 55.803 -0.070 0.000 0.879 245 Q CB -0.157 28.549 28.738 -0.054 0.000 0.947 245 Q HN 0.545 8.815 8.270 -0.000 0.000 0.462 246 I N -0.609 119.862 120.570 -0.165 0.000 2.141 246 I HA -0.237 3.944 4.170 0.018 0.000 0.236 246 I C 1.565 177.642 176.117 -0.067 0.000 1.071 246 I CA 0.855 62.074 61.300 -0.135 0.000 1.345 246 I CB -0.426 37.454 38.000 -0.200 0.000 1.066 246 I HN 0.106 8.316 8.210 -0.000 0.000 0.406 247 Y N 1.579 121.828 120.300 -0.086 0.000 2.096 247 Y HA -0.346 4.216 4.550 0.020 0.000 0.276 247 Y C 2.581 178.385 175.900 -0.160 0.000 1.209 247 Y CA 1.449 59.469 58.100 -0.133 0.000 1.137 247 Y CB -1.268 37.132 38.460 -0.099 0.000 0.956 247 Y HN 0.292 8.572 8.280 -0.000 0.000 0.506 248 E N -0.142 120.090 120.200 0.052 0.000 2.038 248 E HA -0.222 4.139 4.350 0.018 0.000 0.195 248 E C 2.279 178.832 176.600 -0.079 0.000 1.000 248 E CA 1.397 57.785 56.400 -0.021 0.000 0.803 248 E CB -0.186 29.504 29.700 -0.018 0.000 0.750 248 E HN 0.410 8.770 8.360 -0.000 0.000 0.448 249 K N 0.413 120.761 120.400 -0.086 0.000 2.032 249 K HA -0.178 4.152 4.320 0.018 0.000 0.209 249 K C 2.161 178.590 176.600 -0.286 0.000 1.048 249 K CA 1.264 57.498 56.287 -0.087 0.000 0.927 249 K CB -0.168 32.334 32.500 0.002 0.000 0.712 249 K HN 0.131 8.381 8.250 -0.000 0.000 0.441 250 I N 0.479 120.742 120.570 -0.511 0.000 2.127 250 I HA -0.290 3.891 4.170 0.018 0.000 0.241 250 I C 2.129 177.944 176.117 -0.503 0.000 1.075 250 I CA 1.162 61.944 61.300 -0.863 0.000 1.334 250 I CB -0.329 37.327 38.000 -0.574 0.000 1.040 250 I HN -0.038 8.172 8.210 -0.000 0.000 0.405 251 V N 0.996 120.721 119.914 -0.315 0.000 2.828 251 V HA -0.239 3.892 4.120 0.018 0.000 0.260 251 V C 2.499 178.500 176.094 -0.154 0.000 1.101 251 V CA 2.068 64.229 62.300 -0.232 0.000 1.123 251 V CB -0.719 31.003 31.823 -0.169 0.000 0.704 251 V HN 0.619 8.809 8.190 -0.000 0.000 0.493 252 S N 0.077 115.696 115.700 -0.136 0.000 2.496 252 S HA 0.126 4.607 4.470 0.018 0.000 0.224 252 S C 1.818 176.414 174.600 -0.007 0.000 0.996 252 S CA 0.734 58.899 58.200 -0.058 0.000 0.927 252 S CB 0.042 63.219 63.200 -0.038 0.000 0.774 252 S HN 1.044 9.354 8.310 -0.000 0.000 0.524 253 G N 1.439 110.223 108.800 -0.027 0.000 2.309 253 G HA2 -0.335 3.636 3.960 0.018 0.000 0.286 253 G HA3 -0.335 3.636 3.960 0.018 0.000 0.286 253 G C -0.008 175.029 174.900 0.228 0.000 1.002 253 G CA 0.829 46.032 45.100 0.171 0.000 0.786 253 G HN 0.641 8.931 8.290 -0.000 0.000 0.511 254 K N 0.031 120.540 120.400 0.182 0.000 2.258 254 K HA 0.525 4.856 4.320 0.018 0.000 0.284 254 K C 0.389 177.056 176.600 0.112 0.000 1.051 254 K CA -0.200 56.154 56.287 0.112 0.000 0.923 254 K CB 1.142 33.672 32.500 0.050 0.000 1.046 254 K HN 0.366 8.616 8.250 -0.000 0.000 0.474 255 V N 1.439 121.309 119.914 -0.075 0.000 3.007 255 V HA 0.663 4.793 4.120 0.018 0.000 0.311 255 V C -0.911 174.892 176.094 -0.485 0.000 1.120 255 V CA -1.292 60.786 62.300 -0.370 0.000 0.980 255 V CB 2.013 33.471 31.823 -0.609 0.000 1.033 255 V HN 0.667 8.857 8.190 -0.000 0.000 0.429 256 R N 1.729 121.893 120.500 -0.561 0.000 2.686 256 R HA 0.703 5.053 4.340 0.018 0.000 0.286 256 R C -1.861 174.115 176.300 -0.539 0.000 0.969 256 R CA -0.377 55.462 56.100 -0.435 0.000 0.898 256 R CB 2.040 32.216 30.300 -0.206 0.000 1.183 256 R HN 0.688 8.958 8.270 -0.000 0.000 0.456 257 F N 1.205 121.107 119.950 -0.080 0.000 2.492 257 F HA 0.469 5.005 4.527 0.016 0.000 0.327 257 F C -1.740 173.739 175.800 -0.534 0.000 1.079 257 F CA -2.690 55.118 58.000 -0.319 0.000 0.967 257 F CB 0.942 39.835 39.000 -0.178 0.000 1.169 257 F HN 0.228 8.528 8.300 -0.000 0.000 0.472 258 P HA 0.112 4.532 4.420 -0.000 0.000 0.268 258 P C 0.388 177.337 177.300 -0.585 0.000 1.204 258 P CA 0.134 62.771 63.100 -0.771 0.000 0.768 258 P CB 0.711 31.626 31.700 -1.309 0.000 0.842 259 S N 1.843 117.401 115.700 -0.237 0.000 2.423 259 S HA -0.255 4.226 4.470 0.018 0.000 0.238 259 S C 1.452 176.048 174.600 -0.008 0.000 1.028 259 S CA 1.913 60.070 58.200 -0.072 0.000 1.000 259 S CB -1.206 62.001 63.200 0.013 0.000 0.797 259 S HN 0.743 9.053 8.310 -0.000 0.000 0.487 260 H N -0.629 118.477 119.070 0.060 0.000 2.529 260 H HA 0.254 4.822 4.556 0.019 0.000 0.277 260 H C 0.172 175.644 175.328 0.241 0.000 0.999 260 H CA -0.148 55.977 56.048 0.129 0.000 1.256 260 H CB -0.540 29.296 29.762 0.122 0.000 1.402 260 H HN 0.183 8.463 8.280 -0.000 0.000 0.566 261 F N 3.217 123.025 119.950 -0.236 0.000 2.607 261 F HA 0.041 4.578 4.527 0.017 0.000 0.374 261 F C 1.025 176.764 175.800 -0.101 0.000 1.104 261 F CA -0.651 57.239 58.000 -0.183 0.000 1.296 261 F CB 0.179 38.993 39.000 -0.309 0.000 1.085 261 F HN 0.282 8.582 8.300 -0.000 0.000 0.584 262 S N 1.393 117.112 115.700 0.031 0.000 2.593 262 S HA 0.128 4.609 4.470 0.018 0.000 0.269 262 S C 1.139 175.715 174.600 -0.040 0.000 1.334 262 S CA -0.296 57.919 58.200 0.026 0.000 1.015 262 S CB 0.888 64.131 63.200 0.071 0.000 0.912 262 S HN 0.561 8.871 8.310 -0.000 0.000 0.541 263 S N 1.198 116.892 115.700 -0.010 0.000 2.368 263 S HA -0.151 4.330 4.470 0.018 0.000 0.225 263 S C 1.301 175.865 174.600 -0.060 0.000 1.030 263 S CA 1.259 59.436 58.200 -0.038 0.000 0.999 263 S CB -0.671 62.531 63.200 0.002 0.000 0.844 263 S HN 0.798 9.108 8.310 -0.000 0.000 0.459 264 D N 1.408 121.821 120.400 0.021 0.000 2.104 264 D HA -0.083 4.568 4.640 0.018 0.000 0.194 264 D C 1.934 178.173 176.300 -0.103 0.000 0.994 264 D CA 0.950 55.020 54.000 0.118 0.000 0.830 264 D CB -0.336 40.619 40.800 0.259 0.000 0.959 264 D HN 0.284 8.654 8.370 -0.000 0.000 0.452 265 L N 1.268 122.299 121.223 -0.321 0.000 2.141 265 L HA -0.101 4.249 4.340 0.018 0.000 0.209 265 L C 1.888 178.273 176.870 -0.809 0.000 1.094 265 L CA 1.571 55.830 54.840 -0.968 0.000 0.763 265 L CB -0.218 41.248 42.059 -0.989 0.000 0.908 265 L HN -0.164 8.066 8.230 -0.000 0.000 0.437 266 K N -0.326 119.714 120.400 -0.602 0.000 2.007 266 K HA -0.182 4.149 4.320 0.018 0.000 0.206 266 K C 1.854 178.097 176.600 -0.595 0.000 1.047 266 K CA 1.557 57.349 56.287 -0.825 0.000 0.937 266 K CB -0.389 31.698 32.500 -0.688 0.000 0.718 266 K HN 0.415 8.665 8.250 -0.000 0.000 0.438 267 D N 1.428 121.636 120.400 -0.319 0.000 2.158 267 D HA -0.195 4.456 4.640 0.018 0.000 0.197 267 D C 1.840 177.959 176.300 -0.302 0.000 0.995 267 D CA 0.778 54.675 54.000 -0.172 0.000 0.846 267 D CB -0.017 40.803 40.800 0.034 0.000 0.941 267 D HN 0.046 8.416 8.370 -0.000 0.000 0.456 268 L N -0.014 120.872 121.223 -0.561 0.000 2.046 268 L HA -0.119 4.232 4.340 0.018 0.000 0.208 268 L C 2.266 178.840 176.870 -0.494 0.000 1.077 268 L CA 1.202 55.553 54.840 -0.813 0.000 0.747 268 L CB -0.361 41.185 42.059 -0.855 0.000 0.896 268 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 269 L N -0.683 120.280 121.223 -0.434 0.000 2.156 269 L HA -0.162 4.189 4.340 0.018 0.000 0.208 269 L C 2.732 179.530 176.870 -0.120 0.000 1.095 269 L CA 0.800 55.501 54.840 -0.232 0.000 0.770 269 L CB -0.388 41.603 42.059 -0.112 0.000 0.914 269 L HN 0.222 8.452 8.230 -0.000 0.000 0.439 270 R N -0.240 120.182 120.500 -0.130 0.000 2.189 270 R HA -0.064 4.287 4.340 0.018 0.000 0.223 270 R C 1.677 177.890 176.300 -0.146 0.000 1.092 270 R CA 0.796 56.874 56.100 -0.036 0.000 0.989 270 R CB -0.204 30.085 30.300 -0.018 0.000 0.876 270 R HN 0.460 8.730 8.270 -0.000 0.000 0.457 271 N N 0.202 118.703 118.700 -0.333 0.000 2.415 271 N HA 0.010 4.761 4.740 0.018 0.000 0.176 271 N C 1.686 176.998 175.510 -0.329 0.000 1.042 271 N CA 0.621 53.331 53.050 -0.566 0.000 0.902 271 N CB 0.377 37.995 38.487 -1.449 0.000 0.986 271 N HN 0.206 8.586 8.380 -0.000 0.000 0.447 272 L N 0.365 121.463 121.223 -0.208 0.000 2.145 272 L HA 0.151 4.502 4.340 0.018 0.000 0.201 272 L C 0.902 177.710 176.870 -0.103 0.000 1.075 272 L CA 0.470 55.285 54.840 -0.042 0.000 0.773 272 L CB -0.035 42.011 42.059 -0.021 0.000 0.936 272 L HN -0.012 8.218 8.230 -0.000 0.000 0.451 273 L N 1.696 122.734 121.223 -0.307 0.000 2.583 273 L HA 0.105 4.456 4.340 0.018 0.000 0.239 273 L C -0.098 176.698 176.870 -0.123 0.000 1.347 273 L CA -0.196 54.184 54.840 -0.768 0.000 1.246 273 L CB -0.192 41.462 42.059 -0.674 0.000 1.496 273 L HN 0.182 8.412 8.230 -0.000 0.000 0.413 274 Q N 0.394 120.343 119.800 0.248 0.000 2.372 274 Q HA 0.193 4.544 4.340 0.018 0.000 0.259 274 Q C 0.663 176.971 176.000 0.513 0.000 0.993 274 Q CA -0.488 55.514 55.803 0.331 0.000 0.854 274 Q CB 1.742 30.589 28.738 0.182 0.000 1.231 274 Q HN 0.296 8.566 8.270 -0.000 0.000 0.462 275 V N 0.591 120.755 119.914 0.416 0.000 2.490 275 V HA -0.066 4.065 4.120 0.018 0.000 0.250 275 V C 0.809 176.960 176.094 0.094 0.000 1.061 275 V CA 1.442 63.844 62.300 0.170 0.000 1.064 275 V CB -0.609 31.256 31.823 0.070 0.000 0.670 275 V HN 0.764 8.954 8.190 -0.000 0.000 0.461 276 D N 0.358 120.830 120.400 0.120 0.000 2.344 276 D HA 0.156 4.807 4.640 0.018 0.000 0.253 276 D C 1.059 177.427 176.300 0.114 0.000 1.255 276 D CA 0.157 54.211 54.000 0.089 0.000 0.894 276 D CB 0.852 41.702 40.800 0.083 0.000 1.067 276 D HN 0.264 8.634 8.370 -0.000 0.000 0.492 277 L N 2.802 124.079 121.223 0.090 0.000 2.042 277 L HA -0.189 4.162 4.340 0.018 0.000 0.210 277 L C 2.253 179.188 176.870 0.110 0.000 1.076 277 L CA 1.152 56.056 54.840 0.106 0.000 0.749 277 L CB -0.341 41.758 42.059 0.067 0.000 0.893 277 L HN 0.438 8.668 8.230 -0.000 0.000 0.432 278 T N -1.165 113.439 114.554 0.085 0.000 3.077 278 T HA -0.169 4.191 4.350 0.018 0.000 0.269 278 T C 1.650 176.410 174.700 0.101 0.000 1.146 278 T CA 1.240 63.388 62.100 0.079 0.000 1.091 278 T CB -0.031 68.873 68.868 0.060 0.000 0.892 278 T HN 0.219 8.459 8.240 -0.000 0.000 0.533 279 K N -0.334 120.141 120.400 0.124 0.000 2.412 279 K HA 0.260 4.590 4.320 0.018 0.000 0.202 279 K C 0.717 177.439 176.600 0.204 0.000 1.102 279 K CA -0.317 56.060 56.287 0.149 0.000 1.027 279 K CB 0.559 33.133 32.500 0.123 0.000 0.931 279 K HN 0.059 8.309 8.250 -0.000 0.000 0.557 280 R N 0.967 121.595 120.500 0.213 0.000 2.489 280 R HA 0.042 4.393 4.340 0.018 0.000 0.287 280 R C -0.749 175.749 176.300 0.330 0.000 1.053 280 R CA -0.236 56.022 56.100 0.263 0.000 1.036 280 R CB 0.220 30.697 30.300 0.295 0.000 0.966 280 R HN -0.213 8.057 8.270 -0.000 0.000 0.432 281 F N 2.920 122.896 119.950 0.042 0.000 2.518 281 F HA 0.215 4.750 4.527 0.012 0.000 0.359 281 F C 1.722 177.379 175.800 -0.239 0.000 1.118 281 F CA 0.944 58.905 58.000 -0.066 0.000 1.287 281 F CB 1.196 40.158 39.000 -0.064 0.000 1.132 281 F HN 0.855 9.155 8.300 -0.000 0.000 0.587 282 G N 2.711 111.334 108.800 -0.294 0.000 2.199 282 G HA2 -0.361 3.610 3.960 0.018 0.000 0.254 282 G HA3 -0.361 3.610 3.960 0.018 0.000 0.254 282 G C 0.896 175.697 174.900 -0.166 0.000 0.982 282 G CA 0.481 45.147 45.100 -0.722 0.000 0.632 282 G HN 0.742 9.032 8.290 -0.000 0.000 0.529 283 N N -0.799 117.914 118.700 0.022 0.000 2.193 283 N HA 0.253 5.004 4.740 0.018 0.000 0.210 283 N C 1.377 176.933 175.510 0.076 0.000 1.215 283 N CA -0.248 52.883 53.050 0.135 0.000 0.901 283 N CB 0.348 38.964 38.487 0.216 0.000 1.060 283 N HN 0.401 8.781 8.380 -0.000 0.000 0.508 284 L N 1.716 122.959 121.223 0.033 0.000 2.603 284 L HA 0.056 4.407 4.340 0.018 0.000 0.173 284 L C 2.077 178.939 176.870 -0.014 0.000 1.087 284 L CA 0.000 54.851 54.840 0.019 0.000 1.011 284 L CB -0.007 42.050 42.059 -0.004 0.000 1.695 284 L HN 0.158 8.388 8.230 -0.000 0.000 0.494 285 K N -0.264 120.121 120.400 -0.025 0.000 2.296 285 K HA -0.048 4.282 4.320 0.018 0.000 0.200 285 K C 0.695 177.262 176.600 -0.054 0.000 1.048 285 K CA 1.107 57.377 56.287 -0.028 0.000 0.966 285 K CB -0.263 32.226 32.500 -0.018 0.000 0.754 285 K HN 0.431 8.681 8.250 -0.000 0.000 0.466 286 N N 1.348 119.991 118.700 -0.096 0.000 2.235 286 N HA 0.087 4.838 4.740 0.018 0.000 0.209 286 N C 0.625 176.047 175.510 -0.147 0.000 1.122 286 N CA 0.795 53.773 53.050 -0.119 0.000 0.845 286 N CB 0.786 39.184 38.487 -0.147 0.000 1.004 286 N HN 0.478 8.858 8.380 -0.000 0.000 0.499 287 G N 0.632 109.355 108.800 -0.129 0.000 2.578 287 G HA2 -0.349 3.621 3.960 0.018 0.000 0.275 287 G HA3 -0.349 3.621 3.960 0.018 0.000 0.275 287 G C 1.048 175.794 174.900 -0.257 0.000 1.271 287 G CA 0.202 45.224 45.100 -0.131 0.000 0.941 287 G HN 0.041 8.331 8.290 -0.000 0.000 0.564 288 V N 0.326 120.089 119.914 -0.251 0.000 2.568 288 V HA -0.217 3.913 4.120 0.018 0.000 0.253 288 V C 2.520 178.367 176.094 -0.411 0.000 1.072 288 V CA 2.864 64.918 62.300 -0.410 0.000 1.084 288 V CB -0.878 30.787 31.823 -0.263 0.000 0.676 288 V HN 0.634 8.824 8.190 -0.000 0.000 0.469 289 N N 0.207 118.710 118.700 -0.327 0.000 2.519 289 N HA -0.146 4.605 4.740 0.018 0.000 0.186 289 N C 1.392 176.721 175.510 -0.301 0.000 1.062 289 N CA 0.952 53.817 53.050 -0.309 0.000 0.910 289 N CB -0.195 38.155 38.487 -0.227 0.000 0.958 289 N HN 0.483 8.863 8.380 -0.000 0.000 0.445 290 D N -0.082 120.071 120.400 -0.411 0.000 2.183 290 D HA -0.003 4.648 4.640 0.018 0.000 0.203 290 D C 1.726 177.814 176.300 -0.354 0.000 0.969 290 D CA 0.708 54.334 54.000 -0.623 0.000 0.842 290 D CB 0.173 40.269 40.800 -1.173 0.000 0.957 290 D HN 0.356 8.726 8.370 -0.000 0.000 0.484 291 I N 0.554 120.983 120.570 -0.235 0.000 2.296 291 I HA -0.124 4.057 4.170 0.018 0.000 0.242 291 I C 2.168 178.277 176.117 -0.013 0.000 1.087 291 I CA 0.574 61.886 61.300 0.020 0.000 1.393 291 I CB -0.040 37.842 38.000 -0.197 0.000 1.093 291 I HN -0.201 8.009 8.210 -0.000 0.000 0.421 292 K N 0.973 121.165 120.400 -0.348 0.000 2.211 292 K HA -0.141 4.190 4.320 0.018 0.000 0.204 292 K C 0.975 177.599 176.600 0.039 0.000 1.047 292 K CA 1.384 57.337 56.287 -0.556 0.000 0.935 292 K CB -0.345 31.495 32.500 -1.101 0.000 0.728 292 K HN 0.437 8.687 8.250 -0.000 0.000 0.452 293 N N 0.082 118.808 118.700 0.043 0.000 2.251 293 N HA -0.027 4.724 4.740 0.018 0.000 0.217 293 N C -0.360 175.290 175.510 0.233 0.000 1.124 293 N CA -0.228 52.901 53.050 0.132 0.000 0.843 293 N CB 0.338 38.825 38.487 -0.000 0.000 1.024 293 N HN 0.142 8.522 8.380 -0.000 0.000 0.501 294 H N 1.716 120.995 119.070 0.348 0.000 2.582 294 H HA 0.128 4.694 4.556 0.017 0.000 0.345 294 H C 0.872 176.428 175.328 0.380 0.000 1.104 294 H CA 0.265 56.553 56.048 0.400 0.000 1.390 294 H CB 1.055 31.137 29.762 0.533 0.000 1.461 294 H HN -0.074 8.206 8.280 -0.000 0.000 0.551 295 K N 3.025 123.387 120.400 -0.064 0.000 2.077 295 K HA -0.265 4.066 4.320 0.018 0.000 0.213 295 K C 1.942 178.727 176.600 0.308 0.000 1.051 295 K CA 1.661 58.008 56.287 0.100 0.000 0.929 295 K CB -0.519 31.974 32.500 -0.011 0.000 0.715 295 K HN 0.676 8.926 8.250 -0.000 0.000 0.451 296 W N 0.626 122.118 121.300 0.320 0.000 2.313 296 W HA -0.202 4.470 4.660 0.020 0.000 0.293 296 W C 1.509 177.937 176.519 -0.151 0.000 1.216 296 W CA 1.462 58.804 57.345 -0.006 0.000 1.223 296 W CB -0.405 28.936 29.460 -0.198 0.000 1.138 296 W HN 0.002 8.182 8.180 -0.000 0.000 0.535 297 F N -0.268 119.832 119.950 0.250 0.000 2.732 297 F HA 0.259 4.796 4.527 0.017 0.000 0.303 297 F C 2.151 177.945 175.800 -0.009 0.000 1.110 297 F CA 0.426 58.460 58.000 0.056 0.000 1.355 297 F CB -1.041 38.172 39.000 0.356 0.000 1.081 297 F HN -0.089 8.211 8.300 -0.000 0.000 0.565 298 A N 0.116 123.025 122.820 0.149 0.000 1.903 298 A HA -0.277 4.053 4.320 0.018 0.000 0.219 298 A C 2.333 179.912 177.584 -0.009 0.000 1.191 298 A CA 2.709 54.794 52.037 0.081 0.000 0.638 298 A CB -1.273 17.750 19.000 0.037 0.000 0.823 298 A HN 0.328 8.478 8.150 -0.000 0.000 0.451 299 T N 0.140 114.634 114.554 -0.099 0.000 2.833 299 T HA -0.044 4.317 4.350 0.018 0.000 0.269 299 T C 0.901 175.486 174.700 -0.190 0.000 1.054 299 T CA 1.325 63.333 62.100 -0.154 0.000 1.135 299 T CB -0.614 68.113 68.868 -0.235 0.000 0.869 299 T HN 0.555 8.795 8.240 -0.000 0.000 0.466 300 T N 3.262 117.666 114.554 -0.249 0.000 2.834 300 T HA 0.103 4.464 4.350 0.018 0.000 0.298 300 T C -0.065 174.332 174.700 -0.505 0.000 0.966 300 T CA -0.354 61.472 62.100 -0.456 0.000 1.141 300 T CB 0.595 69.020 68.868 -0.738 0.000 0.905 300 T HN 0.076 8.316 8.240 -0.000 0.000 0.535 301 D N 2.311 122.504 120.400 -0.346 0.000 2.500 301 D HA 0.128 4.779 4.640 0.018 0.000 0.219 301 D C 0.405 176.641 176.300 -0.108 0.000 1.137 301 D CA -0.805 53.100 54.000 -0.157 0.000 0.946 301 D CB 0.121 40.886 40.800 -0.058 0.000 1.022 301 D HN 0.628 8.998 8.370 -0.000 0.000 0.518 302 W N 2.389 123.718 121.300 0.048 0.000 2.313 302 W HA -0.223 4.449 4.660 0.019 0.000 0.293 302 W C 1.794 178.364 176.519 0.085 0.000 1.216 302 W CA 0.182 57.560 57.345 0.054 0.000 1.223 302 W CB -0.226 29.245 29.460 0.020 0.000 1.138 302 W HN 0.433 8.613 8.180 -0.000 0.000 0.535 303 I N -0.029 120.693 120.570 0.254 0.000 2.406 303 I HA -0.072 4.109 4.170 0.018 0.000 0.249 303 I C 2.487 178.706 176.117 0.170 0.000 1.122 303 I CA 1.468 62.867 61.300 0.166 0.000 1.431 303 I CB -1.541 36.505 38.000 0.077 0.000 1.087 303 I HN -0.055 8.155 8.210 -0.000 0.000 0.424 304 A N 1.091 123.989 122.820 0.131 0.000 1.930 304 A HA -0.085 4.246 4.320 0.018 0.000 0.217 304 A C 2.276 179.964 177.584 0.174 0.000 1.175 304 A CA 1.236 53.342 52.037 0.116 0.000 0.627 304 A CB -0.621 18.423 19.000 0.073 0.000 0.815 304 A HN 0.280 8.430 8.150 -0.000 0.000 0.443 305 I N -1.428 119.255 120.570 0.188 0.000 2.142 305 I HA -0.229 3.952 4.170 0.018 0.000 0.240 305 I C 2.407 178.761 176.117 0.396 0.000 1.078 305 I CA 1.646 63.094 61.300 0.247 0.000 1.343 305 I CB -1.585 36.484 38.000 0.114 0.000 1.046 305 I HN 0.552 8.762 8.210 -0.000 0.000 0.405 306 Y N 2.192 122.633 120.300 0.236 0.000 2.128 306 Y HA -0.258 4.302 4.550 0.017 0.000 0.284 306 Y C 2.688 178.541 175.900 -0.078 0.000 1.154 306 Y CA 1.816 59.955 58.100 0.064 0.000 1.149 306 Y CB -0.348 38.069 38.460 -0.071 0.000 0.976 306 Y HN 0.201 8.481 8.280 -0.000 0.000 0.505 307 Q N 0.361 120.300 119.800 0.231 0.000 2.437 307 Q HA -0.099 4.252 4.340 0.018 0.000 0.210 307 Q C 0.453 176.428 176.000 -0.040 0.000 0.972 307 Q CA 1.191 57.056 55.803 0.103 0.000 0.903 307 Q CB 0.009 28.812 28.738 0.107 0.000 0.967 307 Q HN 0.557 8.827 8.270 -0.000 0.000 0.486 308 R N -0.763 119.730 120.500 -0.010 0.000 3.872 308 R HA -0.173 4.178 4.340 0.018 0.000 0.341 308 R C 0.576 176.830 176.300 -0.076 0.000 1.172 308 R CA 0.793 56.777 56.100 -0.194 0.000 0.901 308 R CB -1.434 28.589 30.300 -0.462 0.000 1.422 308 R HN 0.178 8.448 8.270 -0.000 0.000 0.523 309 K N 0.610 121.038 120.400 0.047 0.000 2.444 309 K HA 0.107 4.438 4.320 0.018 0.000 0.193 309 K C 0.545 177.201 176.600 0.094 0.000 1.024 309 K CA 0.439 56.753 56.287 0.044 0.000 1.077 309 K CB 0.567 33.088 32.500 0.035 0.000 0.833 309 K HN -0.033 8.217 8.250 -0.000 0.000 0.517 310 V N 1.549 121.591 119.914 0.213 0.000 2.567 310 V HA 0.111 4.242 4.120 0.018 0.000 0.289 310 V C 0.327 176.556 176.094 0.224 0.000 1.049 310 V CA -0.881 61.546 62.300 0.212 0.000 0.969 310 V CB 1.600 33.587 31.823 0.273 0.000 0.995 310 V HN 0.110 8.300 8.190 -0.000 0.000 0.471 311 E N 2.543 122.750 120.200 0.011 0.000 2.180 311 E HA 0.399 4.759 4.350 0.018 0.000 0.283 311 E C 0.185 176.549 176.600 -0.394 0.000 1.061 311 E CA -0.351 55.985 56.400 -0.107 0.000 0.861 311 E CB 1.273 30.892 29.700 -0.134 0.000 1.056 311 E HN 0.870 9.230 8.360 -0.000 0.000 0.407 312 A N 5.667 128.243 122.820 -0.406 0.000 2.531 312 A HA 0.103 4.434 4.320 0.018 0.000 0.236 312 A C -1.754 175.383 177.584 -0.745 0.000 1.062 312 A CA -0.825 50.696 52.037 -0.860 0.000 0.760 312 A CB 0.025 18.816 19.000 -0.348 0.000 0.995 312 A HN 0.494 8.644 8.150 -0.000 0.000 0.501 313 P HA 0.215 4.635 4.420 -0.000 0.000 0.255 313 P C -0.505 176.461 177.300 -0.557 0.000 1.248 313 P CA 0.528 63.199 63.100 -0.715 0.000 0.807 313 P CB -0.008 31.174 31.700 -0.864 0.000 1.150 314 F N 0.447 120.045 119.950 -0.586 0.000 2.622 314 F HA 0.507 5.045 4.527 0.018 0.000 0.318 314 F C -2.099 173.573 175.800 -0.213 0.000 1.135 314 F CA -1.207 56.573 58.000 -0.366 0.000 1.015 314 F CB 1.181 39.972 39.000 -0.349 0.000 1.275 314 F HN -0.429 7.871 8.300 -0.000 0.000 0.457 315 I N 7.642 127.672 120.570 -0.900 0.000 2.468 315 I HA 0.392 4.573 4.170 0.018 0.000 0.284 315 I C -2.207 173.513 176.117 -0.662 0.000 1.038 315 I CA -1.895 59.046 61.300 -0.598 0.000 1.083 315 I CB 1.626 39.441 38.000 -0.309 0.000 1.223 315 I HN 0.338 8.548 8.210 -0.000 0.000 0.443 316 P HA 0.019 4.439 4.420 -0.000 0.000 0.265 316 P C -0.385 176.865 177.300 -0.084 0.000 1.187 316 P CA -0.255 62.731 63.100 -0.190 0.000 0.766 316 P CB 1.000 32.730 31.700 0.050 0.000 0.820 317 K N 3.749 124.160 120.400 0.018 0.000 2.961 317 K HA 0.133 4.463 4.320 0.018 0.000 0.187 317 K C 0.121 176.889 176.600 0.280 0.000 1.110 317 K CA -0.842 55.521 56.287 0.127 0.000 0.968 317 K CB -0.354 32.169 32.500 0.038 0.000 1.287 317 K HN 0.376 8.626 8.250 -0.000 0.000 0.578 318 F N 0.855 120.798 119.950 -0.012 0.000 2.505 318 F HA -0.194 4.344 4.527 0.018 0.000 0.370 318 F C 0.178 175.971 175.800 -0.011 0.000 1.009 318 F CA 0.365 58.361 58.000 -0.006 0.000 1.244 318 F CB 0.041 39.049 39.000 0.014 0.000 0.925 318 F HN 0.093 8.393 8.300 -0.000 0.000 0.590 319 K N 3.373 123.678 120.400 -0.158 0.000 2.862 319 K HA 0.528 4.859 4.320 0.018 0.000 0.229 319 K C 0.525 176.885 176.600 -0.400 0.000 1.107 319 K CA 0.199 56.326 56.287 -0.267 0.000 1.222 319 K CB -0.572 31.849 32.500 -0.133 0.000 1.067 319 K HN 1.162 9.412 8.250 -0.000 0.000 0.464 320 G N 2.260 110.529 108.800 -0.886 0.000 2.423 320 G HA2 -0.125 3.846 3.960 0.018 0.000 0.684 320 G HA3 -0.125 3.846 3.960 0.018 0.000 0.684 320 G C -3.207 171.580 174.900 -0.189 0.000 1.309 320 G CA -1.351 43.335 45.100 -0.689 0.000 0.950 320 G HN -0.030 8.260 8.290 -0.000 0.000 0.587 321 P HA 0.379 4.799 4.420 -0.000 0.000 0.269 321 P C 0.970 178.517 177.300 0.411 0.000 1.252 321 P CA 1.719 65.126 63.100 0.512 0.000 0.780 321 P CB 0.517 32.469 31.700 0.421 0.000 0.829 322 G N 2.760 111.760 108.800 0.333 0.000 2.160 322 G HA2 -0.247 3.723 3.960 0.018 0.000 0.244 322 G HA3 -0.247 3.723 3.960 0.018 0.000 0.244 322 G C -0.129 174.780 174.900 0.014 0.000 1.022 322 G CA 0.100 45.159 45.100 -0.067 0.000 0.741 322 G HN 0.708 8.998 8.290 -0.000 0.000 0.508 323 D N 0.455 120.906 120.400 0.086 0.000 2.358 323 D HA 0.454 5.105 4.640 0.018 0.000 0.258 323 D C 1.302 177.468 176.300 -0.223 0.000 1.223 323 D CA 0.607 54.578 54.000 -0.048 0.000 0.886 323 D CB 0.496 41.258 40.800 -0.064 0.000 1.120 323 D HN 0.301 8.671 8.370 -0.000 0.000 0.482 324 T N 0.281 114.689 114.554 -0.242 0.000 3.313 324 T HA 0.171 4.532 4.350 0.018 0.000 0.263 324 T C 1.194 175.728 174.700 -0.277 0.000 0.983 324 T CA -0.080 61.743 62.100 -0.463 0.000 0.963 324 T CB -0.042 68.901 68.868 0.124 0.000 1.141 324 T HN 0.303 8.543 8.240 -0.000 0.000 0.526 325 S N 1.723 117.262 115.700 -0.268 0.000 2.425 325 S HA -0.038 4.443 4.470 0.018 0.000 0.225 325 S C 1.353 175.920 174.600 -0.054 0.000 1.024 325 S CA 0.267 58.407 58.200 -0.101 0.000 0.951 325 S CB -0.697 62.459 63.200 -0.073 0.000 0.796 325 S HN 0.623 8.933 8.310 -0.000 0.000 0.498 326 N N 0.810 119.435 118.700 -0.125 0.000 2.449 326 N HA 0.212 4.963 4.740 0.018 0.000 0.191 326 N C -1.008 174.684 175.510 0.304 0.000 1.161 326 N CA 0.087 53.170 53.050 0.054 0.000 0.863 326 N CB -0.062 38.465 38.487 0.068 0.000 0.980 326 N HN 0.277 8.657 8.380 -0.000 0.000 0.458 327 F N 1.418 121.426 119.950 0.097 0.000 2.420 327 F HA 0.296 4.834 4.527 0.019 0.000 0.342 327 F C 0.754 176.600 175.800 0.078 0.000 1.113 327 F CA -2.160 55.910 58.000 0.116 0.000 1.059 327 F CB 0.447 39.542 39.000 0.158 0.000 1.128 327 F HN -0.088 8.212 8.300 -0.000 0.000 0.475 328 D N 1.871 122.403 120.400 0.221 0.000 2.390 328 D HA 0.052 4.703 4.640 0.018 0.000 0.236 328 D C -0.279 175.996 176.300 -0.040 0.000 1.189 328 D CA 0.397 54.405 54.000 0.013 0.000 0.887 328 D CB 0.682 41.399 40.800 -0.140 0.000 1.198 328 D HN 0.371 8.742 8.370 -0.000 0.000 0.444 329 D N -0.561 119.739 120.400 -0.166 0.000 2.326 329 D HA 0.495 5.146 4.640 0.018 0.000 0.251 329 D C -0.589 175.504 176.300 -0.346 0.000 1.023 329 D CA -0.160 53.786 54.000 -0.091 0.000 0.966 329 D CB 0.631 41.422 40.800 -0.016 0.000 1.156 329 D HN 0.247 8.617 8.370 -0.000 0.000 0.494 330 Y N -0.958 119.373 120.300 0.053 0.000 2.597 330 Y HA 0.221 4.782 4.550 0.018 0.000 0.340 330 Y C -0.352 175.565 175.900 0.030 0.000 1.097 330 Y CA -1.259 56.864 58.100 0.037 0.000 1.037 330 Y CB 1.230 39.711 38.460 0.034 0.000 1.305 330 Y HN 0.201 8.481 8.280 -0.000 0.000 0.463 331 E N 0.938 121.247 120.200 0.181 0.000 2.265 331 E HA 0.160 4.520 4.350 0.018 0.000 0.272 331 E C -1.034 175.624 176.600 0.095 0.000 1.067 331 E CA -0.500 55.962 56.400 0.103 0.000 0.900 331 E CB 0.528 30.271 29.700 0.071 0.000 1.017 331 E HN 0.223 8.583 8.360 -0.000 0.000 0.431 332 E N 3.803 124.051 120.200 0.079 0.000 2.257 332 E HA 0.085 4.445 4.350 0.018 0.000 0.278 332 E C -0.155 176.470 176.600 0.042 0.000 1.049 332 E CA -0.092 56.346 56.400 0.063 0.000 0.876 332 E CB 0.665 30.403 29.700 0.063 0.000 1.035 332 E HN 0.498 8.858 8.360 -0.000 0.000 0.419 333 E N 1.796 122.013 120.200 0.028 0.000 2.248 333 E HA 0.109 4.470 4.350 0.018 0.000 0.272 333 E C 0.171 176.783 176.600 0.020 0.000 1.008 333 E CA -0.468 55.942 56.400 0.016 0.000 0.856 333 E CB 1.629 31.328 29.700 -0.003 0.000 1.120 333 E HN 0.443 8.803 8.360 -0.000 0.000 0.397 334 E N 1.831 122.043 120.200 0.019 0.000 2.390 334 E HA 0.051 4.411 4.350 0.018 0.000 0.261 334 E C -0.572 176.043 176.600 0.026 0.000 1.076 334 E CA -0.472 55.944 56.400 0.026 0.000 0.905 334 E CB 0.599 30.314 29.700 0.024 0.000 0.984 334 E HN 0.150 8.510 8.360 -0.000 0.000 0.427 335 I N 4.833 125.428 120.570 0.041 0.000 2.310 335 I HA 0.189 4.370 4.170 0.018 0.000 0.287 335 I C 0.409 176.560 176.117 0.058 0.000 1.073 335 I CA -0.317 61.017 61.300 0.055 0.000 1.216 335 I CB 0.265 38.319 38.000 0.089 0.000 1.415 335 I HN 0.399 8.609 8.210 -0.000 0.000 0.480 336 R N 5.411 125.935 120.500 0.040 0.000 2.457 336 R HA 0.749 5.100 4.340 0.018 0.000 0.284 336 R C -1.085 175.242 176.300 0.045 0.000 1.024 336 R CA -0.212 55.911 56.100 0.037 0.000 1.025 336 R CB 1.665 31.976 30.300 0.019 0.000 1.063 336 R HN 0.304 8.574 8.270 -0.000 0.000 0.493 340 N N 2.773 121.488 118.700 0.025 0.000 2.269 340 N HA 0.285 5.036 4.740 0.018 0.000 0.304 340 N C -0.860 174.666 175.510 0.026 0.000 1.072 340 N CA -0.651 52.414 53.050 0.024 0.000 0.802 340 N CB 2.022 40.521 38.487 0.020 0.000 1.348 340 N HN 0.253 8.633 8.380 -0.000 0.000 0.484 341 E N 0.961 121.179 120.200 0.030 0.000 2.485 341 E HA -0.081 4.280 4.350 0.018 0.000 0.266 341 E C -0.890 175.731 176.600 0.034 0.000 1.090 341 E CA 0.658 57.079 56.400 0.034 0.000 0.987 341 E CB 0.512 30.235 29.700 0.039 0.000 0.974 341 E HN 0.303 8.663 8.360 -0.000 0.000 0.455 342 K N 1.359 121.784 120.400 0.041 0.000 2.695 342 K HA 0.238 4.569 4.320 0.018 0.000 0.255 342 K C -1.198 175.463 176.600 0.102 0.000 1.016 342 K CA -0.264 56.052 56.287 0.048 0.000 0.928 342 K CB 0.866 33.379 32.500 0.021 0.000 1.235 342 K HN 0.636 8.886 8.250 -0.000 0.000 0.467 343 C N 1.985 121.353 119.300 0.114 0.000 4.507 343 C HA -0.162 4.309 4.460 0.018 0.000 0.285 343 C C 1.908 177.012 174.990 0.191 0.000 1.335 343 C CA 0.710 59.828 59.018 0.168 0.000 1.953 343 C CB -2.050 25.919 27.740 0.382 0.000 1.262 343 C HN 1.125 9.355 8.230 -0.000 0.000 0.776 344 G N 2.218 111.093 108.800 0.124 0.000 2.812 344 G HA2 -0.373 3.598 3.960 0.018 0.000 0.218 344 G HA3 -0.373 3.598 3.960 0.018 0.000 0.218 344 G C 1.509 176.458 174.900 0.081 0.000 1.287 344 G CA 1.874 47.041 45.100 0.111 0.000 0.796 344 G HN 0.858 9.148 8.290 -0.000 0.000 0.649 345 K N 1.111 121.523 120.400 0.019 0.000 2.077 345 K HA -0.249 4.082 4.320 0.018 0.000 0.213 345 K C 2.028 178.578 176.600 -0.083 0.000 1.051 345 K CA 2.164 58.439 56.287 -0.021 0.000 0.929 345 K CB -0.851 31.628 32.500 -0.035 0.000 0.715 345 K HN 0.564 8.814 8.250 -0.000 0.000 0.451 346 E N 0.122 120.206 120.200 -0.194 0.000 2.265 346 E HA -0.146 4.215 4.350 0.018 0.000 0.196 346 E C 1.101 177.353 176.600 -0.580 0.000 0.996 346 E CA 0.975 57.110 56.400 -0.442 0.000 0.832 346 E CB -0.260 29.032 29.700 -0.680 0.000 0.756 346 E HN 0.500 8.860 8.360 -0.000 0.000 0.491 347 F N 0.785 120.747 119.950 0.019 0.000 2.724 347 F HA 0.150 4.688 4.527 0.018 0.000 0.310 347 F C 1.995 177.850 175.800 0.092 0.000 1.107 347 F CA -0.025 58.010 58.000 0.059 0.000 1.218 347 F CB 0.401 39.413 39.000 0.021 0.000 1.042 347 F HN -0.079 8.221 8.300 -0.000 0.000 0.540 348 S N -0.233 115.565 115.700 0.164 0.000 2.493 348 S HA -0.194 4.287 4.470 0.018 0.000 0.243 348 S C 1.491 176.155 174.600 0.107 0.000 0.991 348 S CA 1.491 59.764 58.200 0.122 0.000 0.957 348 S CB -0.326 62.908 63.200 0.057 0.000 0.756 348 S HN 0.549 8.859 8.310 -0.000 0.000 0.521 349 E N -0.661 119.607 120.200 0.113 0.000 2.385 349 E HA 0.201 4.562 4.350 0.018 0.000 0.194 349 E C 0.279 176.915 176.600 0.059 0.000 1.013 349 E CA -0.283 56.148 56.400 0.052 0.000 0.866 349 E CB 0.067 29.774 29.700 0.011 0.000 0.832 349 E HN 0.620 8.980 8.360 -0.000 0.000 0.500 350 F N 0.000 119.995 119.950 0.076 0.000 2.286 350 F HA 0.000 4.538 4.527 0.018 0.000 0.279 350 F CA 0.000 58.035 58.000 0.059 0.000 1.383 350 F CB 0.000 39.040 39.000 0.066 0.000 1.145 350 F HN 0.000 8.300 8.300 -0.000 0.000 0.574