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 2him_1_C DATA FIRST_RESID 3 DATA SEQUENCE KKSIYVAYTG GTIGMQXXXX XXIPVSGHLQ RQLALMPEFH RPEMPDFTIH DATA SEQUENCE EYTPLMDSSD MTPEDWQHIA EDIKAHYDDY DGFVILHGTD TMAYTASALS DATA SEQUENCE FMLENLGKPV IVTGSQIPLA ELRSDGQINL LNALYVAANY PINEVTLFFN DATA SEQUENCE NRLYRGNRTA KAHADGFDAF ASPNLPPLLE AGIHIRRLNT PPAPHGEGEL DATA SEQUENCE IVHPITPQPI GVVTIYPGIS ADVVRNFLRQ PVKALILRSY GVGNAPQNKA DATA SEQUENCE FLQELQEASD RGIVVVNLTQ CMSGKVNMXX XXXGNALAHA GVIGGADMTV DATA SEQUENCE EATLTKLHYL LSQELDTETI RKAMSQNLRG ELTPD 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 3 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 3 K C 0.000 176.597 176.600 -0.006 0.000 0.988 3 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 3 K CB 0.000 32.505 32.500 0.008 0.000 1.064 4 K N 1.226 121.622 120.400 -0.008 0.000 2.219 4 K HA 0.295 4.549 4.320 -0.110 0.000 0.258 4 K C -0.300 176.319 176.600 0.032 0.000 1.008 4 K CA -0.353 55.928 56.287 -0.010 0.000 0.928 4 K CB 1.487 33.968 32.500 -0.033 0.000 0.983 4 K HN 0.511 8.761 8.250 -0.000 0.000 0.484 5 S N 2.310 118.035 115.700 0.041 0.000 2.605 5 S HA 0.512 4.916 4.470 -0.110 0.000 0.308 5 S C -0.759 173.962 174.600 0.201 0.000 1.113 5 S CA -0.852 57.427 58.200 0.130 0.000 1.049 5 S CB 0.289 63.541 63.200 0.088 0.000 1.001 5 S HN 0.323 8.633 8.310 -0.000 0.000 0.480 6 I N 4.698 125.399 120.570 0.217 0.000 2.441 6 I HA 0.351 4.455 4.170 -0.110 0.000 0.295 6 I C -0.541 175.592 176.117 0.027 0.000 0.994 6 I CA -0.864 60.486 61.300 0.082 0.000 1.144 6 I CB 1.392 39.409 38.000 0.028 0.000 1.314 6 I HN 0.748 8.958 8.210 -0.000 0.000 0.445 7 Y N 5.966 126.019 120.300 -0.411 0.000 2.320 7 Y HA 0.528 5.012 4.550 -0.111 0.000 0.334 7 Y C -0.678 175.129 175.900 -0.155 0.000 1.055 7 Y CA -0.520 57.241 58.100 -0.564 0.000 1.143 7 Y CB 1.330 39.289 38.460 -0.836 0.000 1.193 7 Y HN 0.262 8.542 8.280 -0.000 0.000 0.477 8 V N 6.448 125.914 119.914 -0.746 0.000 2.378 8 V HA 0.640 4.694 4.120 -0.110 0.000 0.288 8 V C -0.288 175.391 176.094 -0.692 0.000 1.016 8 V CA -0.783 61.211 62.300 -0.509 0.000 0.840 8 V CB 1.013 32.689 31.823 -0.244 0.000 0.994 8 V HN 0.956 9.146 8.190 -0.000 0.000 0.431 9 A N 5.019 127.579 122.820 -0.434 0.000 2.260 9 A HA 0.489 4.743 4.320 -0.110 0.000 0.312 9 A C -0.644 176.808 177.584 -0.220 0.000 1.321 9 A CA -0.352 51.525 52.037 -0.266 0.000 0.928 9 A CB -0.047 18.958 19.000 0.009 0.000 1.158 9 A HN 0.945 9.095 8.150 -0.000 0.000 0.542 10 Y N 3.978 124.067 120.300 -0.352 0.000 2.650 10 Y HA 0.233 4.718 4.550 -0.110 0.000 0.343 10 Y C 1.444 177.073 175.900 -0.452 0.000 1.078 10 Y CA -0.014 57.915 58.100 -0.284 0.000 1.356 10 Y CB 0.662 39.039 38.460 -0.138 0.000 1.204 10 Y HN 0.776 9.056 8.280 -0.000 0.000 0.508 11 T N 0.872 115.100 114.554 -0.543 0.000 3.067 11 T HA 0.482 4.766 4.350 -0.110 0.000 0.261 11 T C 0.908 175.337 174.700 -0.452 0.000 1.110 11 T CA 0.645 62.297 62.100 -0.748 0.000 1.113 11 T CB 0.234 68.736 68.868 -0.611 0.000 0.917 11 T HN 0.890 9.130 8.240 -0.000 0.000 0.499 12 G N -0.485 108.096 108.800 -0.365 0.000 2.250 12 G HA2 0.468 4.362 3.960 -0.110 0.000 0.252 12 G HA3 0.468 4.362 3.960 -0.110 0.000 0.252 12 G C 0.043 174.967 174.900 0.041 0.000 1.325 12 G CA -0.162 44.796 45.100 -0.236 0.000 1.091 12 G HN 1.752 10.042 8.290 -0.000 0.000 0.476 13 G N -2.849 105.966 108.800 0.026 0.000 2.661 13 G HA2 0.312 4.206 3.960 -0.110 0.000 0.685 13 G HA3 0.312 4.206 3.960 -0.110 0.000 0.685 13 G C 0.843 175.825 174.900 0.137 0.000 1.298 13 G CA 0.645 45.800 45.100 0.092 0.000 0.855 13 G HN 1.822 10.112 8.290 -0.000 0.000 0.560 14 T N 0.339 114.978 114.554 0.141 0.000 2.665 14 T HA -0.209 4.075 4.350 -0.110 0.000 0.268 14 T C 2.482 177.263 174.700 0.136 0.000 1.035 14 T CA 1.979 64.159 62.100 0.133 0.000 1.151 14 T CB -0.314 68.643 68.868 0.147 0.000 0.862 14 T HN 0.742 8.982 8.240 -0.000 0.000 0.438 15 I N 0.672 121.333 120.570 0.151 0.000 2.229 15 I HA -0.202 3.901 4.170 -0.110 0.000 0.250 15 I C 1.980 178.138 176.117 0.067 0.000 1.096 15 I CA 1.659 63.020 61.300 0.102 0.000 1.358 15 I CB -0.188 37.858 38.000 0.075 0.000 1.047 15 I HN 0.350 8.560 8.210 -0.000 0.000 0.422 16 G N -0.045 108.838 108.800 0.138 0.000 3.393 16 G HA2 0.292 4.186 3.960 -0.110 0.000 0.255 16 G HA3 0.292 4.186 3.960 -0.110 0.000 0.255 16 G C 0.473 175.478 174.900 0.174 0.000 1.097 16 G CA -0.473 44.728 45.100 0.168 0.000 0.780 16 G HN 0.186 8.476 8.290 -0.000 0.000 0.540 17 M N 0.158 119.831 119.600 0.122 0.000 2.267 17 M HA 0.408 4.822 4.480 -0.110 0.000 0.303 17 M C 0.292 176.622 176.300 0.049 0.000 1.164 17 M CA -0.009 55.339 55.300 0.080 0.000 1.060 17 M CB 1.202 33.842 32.600 0.066 0.000 1.455 17 M HN 0.029 8.319 8.290 -0.000 0.000 0.483 26 P HA 0.667 5.087 4.420 -0.000 0.000 0.277 26 P C -1.053 176.258 177.300 0.019 0.000 1.240 26 P CA -0.334 62.783 63.100 0.029 0.000 0.798 26 P CB 1.499 33.208 31.700 0.014 0.000 0.979 27 V N 0.502 120.443 119.914 0.045 0.000 2.711 27 V HA 0.363 4.417 4.120 -0.110 0.000 0.304 27 V C 0.295 176.459 176.094 0.117 0.000 1.097 27 V CA -1.125 61.201 62.300 0.045 0.000 0.906 27 V CB 1.869 33.675 31.823 -0.029 0.000 1.015 27 V HN 0.557 8.747 8.190 -0.000 0.000 0.427 28 S N 3.515 119.276 115.700 0.101 0.000 2.537 28 S HA 0.500 4.904 4.470 -0.110 0.000 0.286 28 S C 1.551 176.258 174.600 0.177 0.000 1.299 28 S CA 1.481 59.756 58.200 0.124 0.000 1.067 28 S CB 0.300 63.550 63.200 0.083 0.000 0.864 28 S HN 2.875 11.185 8.310 -0.000 0.000 0.494 29 G N 4.344 113.260 108.800 0.194 0.000 2.253 29 G HA2 -0.275 3.619 3.960 -0.110 0.000 0.251 29 G HA3 -0.275 3.619 3.960 -0.110 0.000 0.251 29 G C 0.601 175.570 174.900 0.116 0.000 0.998 29 G CA 0.773 45.963 45.100 0.150 0.000 0.621 29 G HN 0.799 9.089 8.290 -0.000 0.000 0.524 30 H N -0.247 118.874 119.070 0.085 0.000 2.502 30 H HA 0.278 4.768 4.556 -0.110 0.000 0.283 30 H C 2.482 177.823 175.328 0.022 0.000 1.015 30 H CA 1.185 57.264 56.048 0.053 0.000 1.298 30 H CB 0.074 29.868 29.762 0.053 0.000 1.411 30 H HN 0.333 8.613 8.280 -0.000 0.000 0.556 31 L N 0.461 121.746 121.223 0.104 0.000 2.005 31 L HA -0.205 4.069 4.340 -0.110 0.000 0.207 31 L C 1.370 178.170 176.870 -0.115 0.000 1.072 31 L CA 1.833 56.621 54.840 -0.086 0.000 0.744 31 L CB -0.574 41.253 42.059 -0.387 0.000 0.895 31 L HN 0.269 8.499 8.230 -0.000 0.000 0.433 32 Q N -0.154 119.609 119.800 -0.063 0.000 2.084 32 Q HA -0.212 4.061 4.340 -0.110 0.000 0.202 32 Q C 2.269 178.239 176.000 -0.049 0.000 0.978 32 Q CA 1.903 57.677 55.803 -0.048 0.000 0.844 32 Q CB -0.348 28.395 28.738 0.008 0.000 0.898 32 Q HN 0.357 8.627 8.270 -0.000 0.000 0.426 33 R N 0.168 120.625 120.500 -0.071 0.000 2.105 33 R HA -0.190 4.084 4.340 -0.110 0.000 0.239 33 R C 2.167 178.424 176.300 -0.072 0.000 1.135 33 R CA 1.588 57.624 56.100 -0.107 0.000 0.967 33 R CB -0.040 30.104 30.300 -0.261 0.000 0.861 33 R HN 0.339 8.609 8.270 -0.000 0.000 0.442 34 Q N -0.670 119.094 119.800 -0.061 0.000 2.020 34 Q HA -0.083 4.191 4.340 -0.110 0.000 0.198 34 Q C 1.752 177.735 176.000 -0.028 0.000 0.974 34 Q CA 1.056 56.840 55.803 -0.031 0.000 0.829 34 Q CB 0.060 28.784 28.738 -0.024 0.000 0.894 34 Q HN 0.255 8.525 8.270 -0.000 0.000 0.433 35 L N 0.244 121.416 121.223 -0.086 0.000 2.127 35 L HA -0.171 4.103 4.340 -0.110 0.000 0.211 35 L C 2.291 179.200 176.870 0.064 0.000 1.089 35 L CA 1.760 56.526 54.840 -0.124 0.000 0.757 35 L CB -1.575 40.329 42.059 -0.258 0.000 0.899 35 L HN 0.294 8.524 8.230 -0.000 0.000 0.434 36 A N -0.808 122.064 122.820 0.087 0.000 2.015 36 A HA -0.116 4.138 4.320 -0.110 0.000 0.219 36 A C 1.887 179.564 177.584 0.156 0.000 1.163 36 A CA 0.954 53.086 52.037 0.158 0.000 0.646 36 A CB -0.322 18.709 19.000 0.052 0.000 0.806 36 A HN 0.339 8.489 8.150 -0.000 0.000 0.448 37 L N -0.789 120.492 121.223 0.096 0.000 2.629 37 L HA 0.316 4.590 4.340 -0.110 0.000 0.230 37 L C 0.284 177.212 176.870 0.098 0.000 1.151 37 L CA 0.694 55.582 54.840 0.081 0.000 0.924 37 L CB -0.342 41.744 42.059 0.044 0.000 1.137 37 L HN 0.322 8.552 8.230 -0.000 0.000 0.457 38 M N 0.958 120.641 119.600 0.138 0.000 2.022 38 M HA 0.295 4.709 4.480 -0.110 0.000 0.298 38 M C -1.501 174.875 176.300 0.127 0.000 0.909 38 M CA -1.308 54.074 55.300 0.137 0.000 0.914 38 M CB 2.130 34.857 32.600 0.211 0.000 1.486 38 M HN -0.224 8.066 8.290 -0.000 0.000 0.415 39 P HA -0.186 4.234 4.420 -0.000 0.000 0.220 39 P C 0.928 178.239 177.300 0.018 0.000 1.148 39 P CA 1.380 64.568 63.100 0.147 0.000 0.803 39 P CB 0.224 31.990 31.700 0.110 0.000 0.782 40 E N -0.513 119.649 120.200 -0.064 0.000 2.171 40 E HA -0.185 4.099 4.350 -0.110 0.000 0.197 40 E C 1.267 177.711 176.600 -0.261 0.000 0.997 40 E CA 0.892 57.182 56.400 -0.184 0.000 0.810 40 E CB -0.476 29.049 29.700 -0.291 0.000 0.738 40 E HN 0.183 8.543 8.360 -0.000 0.000 0.467 41 F N -0.409 119.389 119.950 -0.255 0.000 2.802 41 F HA -0.042 4.419 4.527 -0.110 0.000 0.300 41 F C 1.301 176.964 175.800 -0.229 0.000 1.168 41 F CA 0.756 58.603 58.000 -0.255 0.000 1.433 41 F CB 0.308 39.137 39.000 -0.286 0.000 1.115 41 F HN 0.148 8.448 8.300 -0.000 0.000 0.582 42 H N -1.626 117.592 119.070 0.247 0.000 2.923 42 H HA 0.269 4.759 4.556 -0.110 0.000 0.268 42 H C 0.731 176.114 175.328 0.091 0.000 1.148 42 H CA -0.273 55.869 56.048 0.157 0.000 1.146 42 H CB 0.080 29.901 29.762 0.099 0.000 1.607 42 H HN 0.046 8.326 8.280 -0.000 0.000 0.566 43 R N 1.724 122.297 120.500 0.123 0.000 2.756 43 R HA -0.007 4.266 4.340 -0.110 0.000 0.264 43 R C -1.465 174.884 176.300 0.081 0.000 1.026 43 R CA -1.125 55.016 56.100 0.068 0.000 1.121 43 R CB 0.480 30.780 30.300 0.001 0.000 0.999 43 R HN 0.030 8.300 8.270 -0.000 0.000 0.449 44 P HA -0.133 4.287 4.420 -0.000 0.000 0.219 44 P C 0.147 177.486 177.300 0.065 0.000 1.146 44 P CA 1.222 64.356 63.100 0.056 0.000 0.808 44 P CB 0.317 32.039 31.700 0.038 0.000 0.779 45 E N -1.788 118.451 120.200 0.065 0.000 2.208 45 E HA -0.017 4.267 4.350 -0.110 0.000 0.193 45 E C 0.791 177.480 176.600 0.149 0.000 0.988 45 E CA 0.635 57.095 56.400 0.099 0.000 0.828 45 E CB -0.479 29.267 29.700 0.076 0.000 0.763 45 E HN 0.187 8.547 8.360 -0.000 0.000 0.478 46 M N 1.965 121.642 119.600 0.129 0.000 2.233 46 M HA 0.178 4.592 4.480 -0.110 0.000 0.350 46 M C -2.116 174.289 176.300 0.175 0.000 1.176 46 M CA -2.423 52.980 55.300 0.170 0.000 1.150 46 M CB 0.009 32.708 32.600 0.166 0.000 1.530 46 M HN -0.093 8.197 8.290 -0.000 0.000 0.459 47 P HA 0.132 4.552 4.420 -0.000 0.000 0.276 47 P C -0.804 176.640 177.300 0.240 0.000 1.261 47 P CA -0.377 62.813 63.100 0.150 0.000 0.800 47 P CB 0.763 32.523 31.700 0.099 0.000 1.066 48 D N 0.272 120.773 120.400 0.169 0.000 2.341 48 D HA 0.343 4.917 4.640 -0.110 0.000 0.245 48 D C -0.084 176.365 176.300 0.249 0.000 1.106 48 D CA 0.727 54.809 54.000 0.137 0.000 0.905 48 D CB 0.263 41.102 40.800 0.065 0.000 1.202 48 D HN 0.326 8.696 8.370 -0.000 0.000 0.426 49 F N -1.918 118.092 119.950 0.100 0.000 2.631 49 F HA 0.554 5.015 4.527 -0.110 0.000 0.308 49 F C -1.054 174.785 175.800 0.065 0.000 1.097 49 F CA -0.877 57.167 58.000 0.073 0.000 0.952 49 F CB 1.375 40.392 39.000 0.027 0.000 1.307 49 F HN -0.030 8.270 8.300 -0.000 0.000 0.450 50 T N 3.367 118.042 114.554 0.201 0.000 2.861 50 T HA 0.647 4.931 4.350 -0.110 0.000 0.287 50 T C -0.670 174.061 174.700 0.053 0.000 1.003 50 T CA -0.485 61.676 62.100 0.103 0.000 0.977 50 T CB 1.711 70.686 68.868 0.179 0.000 0.996 50 T HN 0.613 8.853 8.240 -0.000 0.000 0.448 51 I N 2.584 123.196 120.570 0.071 0.000 2.354 51 I HA 0.300 4.404 4.170 -0.110 0.000 0.292 51 I C 0.161 176.344 176.117 0.110 0.000 0.989 51 I CA -0.735 60.582 61.300 0.027 0.000 1.188 51 I CB 1.204 39.243 38.000 0.065 0.000 1.342 51 I HN 0.675 8.885 8.210 -0.000 0.000 0.457 52 H N 6.714 125.751 119.070 -0.054 0.000 2.581 52 H HA 0.285 4.775 4.556 -0.110 0.000 0.308 52 H C -0.687 174.775 175.328 0.223 0.000 1.040 52 H CA -0.687 55.428 56.048 0.112 0.000 1.231 52 H CB 1.076 30.951 29.762 0.188 0.000 1.396 52 H HN 0.630 8.910 8.280 -0.000 0.000 0.467 53 E N 5.334 125.785 120.200 0.418 0.000 2.223 53 E HA 0.037 4.321 4.350 -0.110 0.000 0.282 53 E C -0.750 175.966 176.600 0.195 0.000 1.046 53 E CA -0.655 55.890 56.400 0.241 0.000 0.857 53 E CB 0.542 30.385 29.700 0.239 0.000 1.055 53 E HN 0.496 8.855 8.360 -0.000 0.000 0.409 54 Y N 2.262 122.392 120.300 -0.283 0.000 2.357 54 Y HA 0.121 4.605 4.550 -0.111 0.000 0.340 54 Y C 0.506 176.335 175.900 -0.118 0.000 1.260 54 Y CA -0.256 57.706 58.100 -0.230 0.000 1.425 54 Y CB 1.404 39.714 38.460 -0.249 0.000 1.326 54 Y HN 0.363 8.643 8.280 -0.000 0.000 0.580 55 T N 4.955 119.530 114.554 0.035 0.000 2.906 55 T HA 0.376 4.660 4.350 -0.110 0.000 0.302 55 T C -2.269 172.418 174.700 -0.022 0.000 1.002 55 T CA -1.104 61.001 62.100 0.007 0.000 0.988 55 T CB 1.067 69.944 68.868 0.014 0.000 0.972 55 T HN 0.403 8.643 8.240 -0.000 0.000 0.447 56 P HA 0.545 4.965 4.420 -0.000 0.000 0.280 56 P C -0.674 176.615 177.300 -0.018 0.000 1.272 56 P CA -0.783 62.311 63.100 -0.011 0.000 0.819 56 P CB 1.228 32.921 31.700 -0.012 0.000 1.122 57 L N 0.663 121.847 121.223 -0.066 0.000 2.397 57 L HA 0.342 4.616 4.340 -0.110 0.000 0.271 57 L C 0.742 177.558 176.870 -0.091 0.000 1.148 57 L CA -0.138 54.617 54.840 -0.142 0.000 0.825 57 L CB 0.282 42.214 42.059 -0.212 0.000 1.117 57 L HN 0.317 8.547 8.230 -0.000 0.000 0.456 58 M N 1.980 121.516 119.600 -0.107 0.000 2.530 58 M HA 0.348 4.762 4.480 -0.110 0.000 0.307 58 M C -1.106 175.145 176.300 -0.082 0.000 1.161 58 M CA -0.811 54.445 55.300 -0.074 0.000 0.903 58 M CB 2.345 34.911 32.600 -0.056 0.000 1.711 58 M HN 0.426 8.716 8.290 -0.000 0.000 0.451 59 D N 1.136 121.509 120.400 -0.046 0.000 2.304 59 D HA 0.093 4.667 4.640 -0.110 0.000 0.250 59 D C 0.891 177.169 176.300 -0.036 0.000 1.107 59 D CA 0.205 54.191 54.000 -0.024 0.000 0.885 59 D CB 1.544 42.343 40.800 -0.001 0.000 1.192 59 D HN 0.743 9.113 8.370 -0.000 0.000 0.436 60 S N 0.722 116.404 115.700 -0.031 0.000 2.469 60 S HA -0.178 4.226 4.470 -0.110 0.000 0.238 60 S C 1.720 176.359 174.600 0.065 0.000 0.998 60 S CA 1.097 59.296 58.200 -0.002 0.000 0.957 60 S CB -0.176 63.104 63.200 0.132 0.000 0.764 60 S HN 0.440 8.750 8.310 -0.000 0.000 0.514 61 S N 1.251 116.978 115.700 0.045 0.000 2.481 61 S HA -0.015 4.389 4.470 -0.110 0.000 0.231 61 S C 0.944 175.543 174.600 -0.001 0.000 0.996 61 S CA 0.710 58.929 58.200 0.030 0.000 0.942 61 S CB -0.335 62.881 63.200 0.026 0.000 0.768 61 S HN 0.508 8.818 8.310 -0.000 0.000 0.520 62 D N 0.856 121.251 120.400 -0.010 0.000 2.349 62 D HA 0.215 4.789 4.640 -0.110 0.000 0.214 62 D C 0.202 176.475 176.300 -0.045 0.000 1.063 62 D CA 0.102 54.086 54.000 -0.027 0.000 0.847 62 D CB 0.003 40.790 40.800 -0.023 0.000 0.933 62 D HN 0.370 8.740 8.370 -0.000 0.000 0.513 63 M N 1.226 120.805 119.600 -0.035 0.000 2.249 63 M HA 0.063 4.477 4.480 -0.110 0.000 0.340 63 M C 0.915 177.108 176.300 -0.178 0.000 1.166 63 M CA 0.549 55.812 55.300 -0.061 0.000 1.115 63 M CB 0.503 33.137 32.600 0.057 0.000 1.606 63 M HN -0.056 8.234 8.290 -0.000 0.000 0.448 64 T N 0.012 114.388 114.554 -0.296 0.000 2.930 64 T HA 0.524 4.808 4.350 -0.110 0.000 0.290 64 T C -2.314 171.859 174.700 -0.878 0.000 1.052 64 T CA -1.793 60.045 62.100 -0.437 0.000 1.017 64 T CB 1.853 70.553 68.868 -0.281 0.000 1.137 64 T HN 0.283 8.523 8.240 -0.000 0.000 0.511 65 P HA -0.108 4.312 4.420 -0.000 0.000 0.218 65 P C 1.401 178.177 177.300 -0.873 0.000 1.148 65 P CA 1.229 63.312 63.100 -1.694 0.000 0.822 65 P CB -0.012 30.963 31.700 -1.208 0.000 0.784 66 E N -0.477 119.406 120.200 -0.528 0.000 2.204 66 E HA -0.204 4.080 4.350 -0.110 0.000 0.195 66 E C 1.104 177.387 176.600 -0.527 0.000 0.990 66 E CA 1.101 57.257 56.400 -0.407 0.000 0.821 66 E CB -0.855 28.663 29.700 -0.304 0.000 0.750 66 E HN 0.187 8.547 8.360 -0.000 0.000 0.477 67 D N 0.361 120.517 120.400 -0.406 0.000 2.219 67 D HA -0.132 4.442 4.640 -0.110 0.000 0.205 67 D C 1.346 177.684 176.300 0.064 0.000 0.970 67 D CA 0.759 54.680 54.000 -0.132 0.000 0.851 67 D CB -0.202 40.571 40.800 -0.044 0.000 0.943 67 D HN 0.438 8.808 8.370 -0.000 0.000 0.488 68 W N 1.269 122.567 121.300 -0.003 0.000 2.388 68 W HA -0.056 4.537 4.660 -0.111 0.000 0.294 68 W C 2.441 178.988 176.519 0.046 0.000 1.212 68 W CA 0.189 57.564 57.345 0.051 0.000 1.271 68 W CB -1.244 28.237 29.460 0.035 0.000 1.126 68 W HN 0.115 8.295 8.180 -0.000 0.000 0.535 69 Q N 0.075 119.971 119.800 0.161 0.000 2.050 69 Q HA -0.226 4.047 4.340 -0.110 0.000 0.202 69 Q C 2.098 178.170 176.000 0.120 0.000 0.980 69 Q CA 2.070 57.923 55.803 0.084 0.000 0.840 69 Q CB -0.759 27.944 28.738 -0.059 0.000 0.898 69 Q HN 0.198 8.468 8.270 -0.000 0.000 0.424 70 H N 0.051 119.210 119.070 0.148 0.000 2.319 70 H HA -0.115 4.375 4.556 -0.110 0.000 0.299 70 H C 2.169 177.616 175.328 0.199 0.000 1.092 70 H CA 1.751 57.878 56.048 0.131 0.000 1.302 70 H CB -0.430 29.394 29.762 0.104 0.000 1.373 70 H HN 0.359 8.639 8.280 -0.000 0.000 0.497 71 I N 0.462 121.277 120.570 0.408 0.000 2.226 71 I HA -0.225 3.879 4.170 -0.110 0.000 0.245 71 I C 2.777 179.061 176.117 0.279 0.000 1.100 71 I CA 0.988 62.531 61.300 0.404 0.000 1.374 71 I CB -0.369 37.853 38.000 0.370 0.000 1.057 71 I HN 0.166 8.376 8.210 -0.000 0.000 0.413 72 A N 0.485 123.438 122.820 0.221 0.000 1.908 72 A HA -0.199 4.055 4.320 -0.110 0.000 0.218 72 A C 2.227 179.877 177.584 0.109 0.000 1.181 72 A CA 1.565 53.687 52.037 0.142 0.000 0.627 72 A CB -0.421 18.663 19.000 0.140 0.000 0.818 72 A HN 0.355 8.505 8.150 -0.000 0.000 0.445 73 E N -0.164 120.118 120.200 0.136 0.000 2.150 73 E HA -0.172 4.112 4.350 -0.110 0.000 0.193 73 E C 1.589 178.257 176.600 0.114 0.000 0.985 73 E CA 1.312 57.774 56.400 0.102 0.000 0.814 73 E CB -0.392 29.378 29.700 0.117 0.000 0.752 73 E HN 0.717 9.077 8.360 -0.000 0.000 0.466 74 D N 0.831 121.345 120.400 0.190 0.000 2.117 74 D HA -0.095 4.479 4.640 -0.110 0.000 0.197 74 D C 1.971 178.427 176.300 0.259 0.000 0.987 74 D CA 0.747 54.914 54.000 0.279 0.000 0.829 74 D CB -0.098 40.943 40.800 0.401 0.000 0.961 74 D HN 0.109 8.479 8.370 -0.000 0.000 0.460 75 I N -0.017 120.637 120.570 0.139 0.000 2.252 75 I HA -0.201 3.903 4.170 -0.110 0.000 0.245 75 I C 2.506 178.561 176.117 -0.102 0.000 1.102 75 I CA 0.848 62.107 61.300 -0.069 0.000 1.385 75 I CB -0.250 37.667 38.000 -0.137 0.000 1.064 75 I HN 0.038 8.248 8.210 -0.000 0.000 0.414 76 K N 1.310 121.682 120.400 -0.046 0.000 2.032 76 K HA -0.208 4.046 4.320 -0.110 0.000 0.209 76 K C 2.203 178.797 176.600 -0.010 0.000 1.048 76 K CA 1.609 57.862 56.287 -0.056 0.000 0.927 76 K CB -0.122 32.346 32.500 -0.053 0.000 0.712 76 K HN 0.294 8.544 8.250 -0.000 0.000 0.441 77 A N 0.332 123.130 122.820 -0.038 0.000 1.933 77 A HA -0.169 4.085 4.320 -0.110 0.000 0.218 77 A C 1.349 178.790 177.584 -0.238 0.000 1.175 77 A CA 1.682 53.626 52.037 -0.154 0.000 0.628 77 A CB -0.654 18.198 19.000 -0.246 0.000 0.814 77 A HN 0.491 8.641 8.150 -0.000 0.000 0.444 78 H N -3.682 115.390 119.070 0.003 0.000 2.551 78 H HA 0.162 4.652 4.556 -0.110 0.000 0.271 78 H C 1.389 176.942 175.328 0.374 0.000 0.984 78 H CA 0.299 56.419 56.048 0.121 0.000 1.164 78 H CB -0.129 29.496 29.762 -0.229 0.000 1.437 78 H HN 0.575 8.855 8.280 -0.000 0.000 0.550 79 Y N 2.101 122.489 120.300 0.148 0.000 2.040 79 Y HA -0.328 4.156 4.550 -0.110 0.000 0.275 79 Y C 1.535 177.652 175.900 0.361 0.000 1.171 79 Y CA 2.041 60.271 58.100 0.217 0.000 1.123 79 Y CB -0.189 38.280 38.460 0.014 0.000 0.963 79 Y HN 0.198 8.478 8.280 -0.000 0.000 0.493 80 D N -0.525 120.001 120.400 0.210 0.000 2.264 80 D HA -0.111 4.463 4.640 -0.110 0.000 0.208 80 D C 1.103 177.404 176.300 0.001 0.000 0.966 80 D CA 1.436 55.471 54.000 0.058 0.000 0.864 80 D CB -0.301 40.548 40.800 0.081 0.000 0.933 80 D HN 0.475 8.845 8.370 -0.000 0.000 0.499 81 D N -1.405 119.015 120.400 0.032 0.000 2.349 81 D HA 0.070 4.644 4.640 -0.110 0.000 0.214 81 D C -0.395 175.567 176.300 -0.563 0.000 1.063 81 D CA 0.145 54.010 54.000 -0.224 0.000 0.847 81 D CB 0.261 40.904 40.800 -0.262 0.000 0.933 81 D HN 0.198 8.568 8.370 -0.000 0.000 0.513 82 Y N -0.534 119.782 120.300 0.026 0.000 2.581 82 Y HA 0.266 4.751 4.550 -0.110 0.000 0.345 82 Y C 0.761 176.498 175.900 -0.271 0.000 1.036 82 Y CA -1.095 56.926 58.100 -0.132 0.000 1.042 82 Y CB 1.592 39.912 38.460 -0.233 0.000 1.289 82 Y HN -0.289 7.991 8.280 -0.000 0.000 0.471 83 D N 0.502 120.825 120.400 -0.128 0.000 2.346 83 D HA 0.231 4.805 4.640 -0.110 0.000 0.206 83 D C 0.557 176.714 176.300 -0.240 0.000 1.001 83 D CA 0.737 54.644 54.000 -0.155 0.000 0.871 83 D CB 0.888 41.633 40.800 -0.093 0.000 0.943 83 D HN 0.689 9.059 8.370 -0.000 0.000 0.518 84 G N -0.244 108.261 108.800 -0.493 0.000 2.608 84 G HA2 0.511 4.405 3.960 -0.110 0.000 0.291 84 G HA3 0.511 4.405 3.960 -0.110 0.000 0.291 84 G C -1.880 172.459 174.900 -0.934 0.000 1.425 84 G CA -0.800 44.011 45.100 -0.482 0.000 0.787 84 G HN -0.047 8.243 8.290 -0.000 0.000 0.484 85 F N -0.487 119.542 119.950 0.132 0.000 2.574 85 F HA 0.624 5.085 4.527 -0.110 0.000 0.313 85 F C -0.175 175.675 175.800 0.083 0.000 1.130 85 F CA -0.947 57.145 58.000 0.153 0.000 0.936 85 F CB 2.752 41.891 39.000 0.231 0.000 1.219 85 F HN 0.313 8.613 8.300 -0.000 0.000 0.445 86 V N 4.737 124.745 119.914 0.157 0.000 2.540 86 V HA 0.486 4.540 4.120 -0.110 0.000 0.302 86 V C -0.543 175.583 176.094 0.054 0.000 1.035 86 V CA -0.667 61.672 62.300 0.064 0.000 0.873 86 V CB 2.025 33.825 31.823 -0.040 0.000 0.992 86 V HN 0.462 8.652 8.190 -0.000 0.000 0.428 87 I N 5.822 126.436 120.570 0.074 0.000 2.354 87 I HA 0.391 4.495 4.170 -0.110 0.000 0.286 87 I C -0.094 176.065 176.117 0.070 0.000 1.007 87 I CA -0.371 60.967 61.300 0.063 0.000 1.167 87 I CB 1.389 39.449 38.000 0.099 0.000 1.320 87 I HN 0.388 8.598 8.210 -0.000 0.000 0.458 88 L N 6.543 127.793 121.223 0.045 0.000 2.331 88 L HA 0.366 4.640 4.340 -0.110 0.000 0.278 88 L C 0.002 176.982 176.870 0.184 0.000 1.106 88 L CA 0.079 54.982 54.840 0.104 0.000 0.824 88 L CB 0.575 42.676 42.059 0.070 0.000 1.142 88 L HN 0.557 8.787 8.230 -0.000 0.000 0.443 89 H N 1.882 121.010 119.070 0.097 0.000 3.037 89 H HA 0.319 4.808 4.556 -0.111 0.000 0.355 89 H C -0.569 174.849 175.328 0.150 0.000 1.263 89 H CA -0.388 55.717 56.048 0.095 0.000 1.129 89 H CB 2.164 31.971 29.762 0.075 0.000 1.861 89 H HN 0.641 8.921 8.280 -0.000 0.000 0.546 90 G N 0.364 109.281 108.800 0.195 0.000 2.544 90 G HA2 0.177 4.071 3.960 -0.110 0.000 0.242 90 G HA3 0.177 4.071 3.960 -0.110 0.000 0.242 90 G C 1.090 176.264 174.900 0.456 0.000 1.247 90 G CA 0.311 45.567 45.100 0.261 0.000 0.840 90 G HN 0.674 8.964 8.290 -0.000 0.000 0.578 91 T N -1.193 113.568 114.554 0.346 0.000 2.985 91 T HA -0.078 4.206 4.350 -0.110 0.000 0.266 91 T C 1.541 176.423 174.700 0.303 0.000 1.076 91 T CA 1.393 63.717 62.100 0.373 0.000 1.135 91 T CB -0.104 68.904 68.868 0.234 0.000 0.890 91 T HN 0.336 8.576 8.240 -0.000 0.000 0.480 92 D N 2.497 123.028 120.400 0.218 0.000 2.133 92 D HA -0.088 4.486 4.640 -0.110 0.000 0.195 92 D C 2.002 178.469 176.300 0.279 0.000 0.997 92 D CA 2.167 56.273 54.000 0.178 0.000 0.840 92 D CB -0.400 40.478 40.800 0.130 0.000 0.947 92 D HN 0.729 9.099 8.370 -0.000 0.000 0.452 93 T N -3.049 111.730 114.554 0.375 0.000 3.252 93 T HA 0.238 4.522 4.350 -0.110 0.000 0.286 93 T C 1.393 176.333 174.700 0.400 0.000 1.013 93 T CA -0.301 62.101 62.100 0.504 0.000 0.914 93 T CB -0.095 69.009 68.868 0.393 0.000 1.131 93 T HN -0.021 8.219 8.240 -0.000 0.000 0.529 94 M N 1.455 121.188 119.600 0.223 0.000 2.108 94 M HA -0.037 4.377 4.480 -0.110 0.000 0.261 94 M C 2.414 178.582 176.300 -0.220 0.000 1.066 94 M CA 2.167 57.323 55.300 -0.241 0.000 1.107 94 M CB -0.388 32.121 32.600 -0.152 0.000 1.356 94 M HN 0.508 8.798 8.290 -0.000 0.000 0.406 95 A N -0.703 122.088 122.820 -0.049 0.000 1.972 95 A HA -0.186 4.068 4.320 -0.110 0.000 0.219 95 A C 1.663 179.114 177.584 -0.221 0.000 1.169 95 A CA 1.351 53.285 52.037 -0.172 0.000 0.635 95 A CB -1.082 17.840 19.000 -0.130 0.000 0.810 95 A HN 0.664 8.814 8.150 -0.000 0.000 0.446 96 Y N 0.275 120.522 120.300 -0.087 0.000 2.200 96 Y HA -0.142 4.342 4.550 -0.110 0.000 0.290 96 Y C 2.971 178.612 175.900 -0.431 0.000 1.137 96 Y CA 1.835 59.839 58.100 -0.159 0.000 1.163 96 Y CB -0.857 37.654 38.460 0.085 0.000 0.988 96 Y HN 0.249 8.529 8.280 -0.000 0.000 0.518 97 T N -0.079 114.393 114.554 -0.137 0.000 2.708 97 T HA -0.224 4.060 4.350 -0.110 0.000 0.266 97 T C 2.238 176.759 174.700 -0.299 0.000 1.037 97 T CA 1.352 63.285 62.100 -0.279 0.000 1.146 97 T CB -0.678 68.127 68.868 -0.105 0.000 0.865 97 T HN 0.442 8.682 8.240 -0.000 0.000 0.435 98 A N 1.404 124.066 122.820 -0.264 0.000 1.908 98 A HA -0.131 4.123 4.320 -0.110 0.000 0.218 98 A C 2.620 180.054 177.584 -0.251 0.000 1.181 98 A CA 2.130 54.033 52.037 -0.224 0.000 0.627 98 A CB -0.960 17.907 19.000 -0.222 0.000 0.818 98 A HN 0.449 8.599 8.150 -0.000 0.000 0.445 99 S N -0.156 115.379 115.700 -0.275 0.000 2.356 99 S HA -0.059 4.345 4.470 -0.110 0.000 0.223 99 S C 2.349 176.796 174.600 -0.255 0.000 1.032 99 S CA 1.279 59.322 58.200 -0.262 0.000 1.005 99 S CB -0.567 62.526 63.200 -0.180 0.000 0.867 99 S HN 0.825 9.135 8.310 -0.000 0.000 0.449 100 A N 1.665 124.257 122.820 -0.380 0.000 1.883 100 A HA -0.052 4.202 4.320 -0.110 0.000 0.217 100 A C 2.128 179.623 177.584 -0.148 0.000 1.186 100 A CA 1.313 53.143 52.037 -0.344 0.000 0.624 100 A CB -0.885 17.545 19.000 -0.949 0.000 0.822 100 A HN 0.456 8.606 8.150 -0.000 0.000 0.444 101 L N 0.596 121.714 121.223 -0.176 0.000 2.127 101 L HA -0.216 4.058 4.340 -0.110 0.000 0.211 101 L C 3.021 179.799 176.870 -0.154 0.000 1.089 101 L CA 1.582 56.367 54.840 -0.093 0.000 0.757 101 L CB -0.624 41.398 42.059 -0.061 0.000 0.899 101 L HN 0.668 8.898 8.230 -0.000 0.000 0.434 102 S N 0.012 115.536 115.700 -0.293 0.000 2.382 102 S HA -0.178 4.226 4.470 -0.110 0.000 0.228 102 S C 1.804 176.097 174.600 -0.512 0.000 1.027 102 S CA 1.105 59.050 58.200 -0.425 0.000 0.991 102 S CB -0.627 62.202 63.200 -0.618 0.000 0.823 102 S HN 0.307 8.617 8.310 -0.000 0.000 0.469 103 F N 1.453 121.228 119.950 -0.290 0.000 2.187 103 F HA 0.359 4.821 4.527 -0.108 0.000 0.295 103 F C 2.562 178.014 175.800 -0.580 0.000 1.091 103 F CA 0.703 58.350 58.000 -0.588 0.000 1.308 103 F CB -0.638 37.907 39.000 -0.758 0.000 1.030 103 F HN 0.145 8.445 8.300 -0.000 0.000 0.487 104 M N -0.418 119.143 119.600 -0.065 0.000 2.296 104 M HA -0.065 4.349 4.480 -0.110 0.000 0.265 104 M C 0.209 176.604 176.300 0.158 0.000 1.064 104 M CA 1.139 56.526 55.300 0.145 0.000 1.109 104 M CB -0.245 32.463 32.600 0.181 0.000 1.396 104 M HN -0.077 8.213 8.290 -0.000 0.000 0.430 105 L N 1.330 122.571 121.223 0.030 0.000 2.314 105 L HA 0.268 4.542 4.340 -0.110 0.000 0.275 105 L C 0.013 176.888 176.870 0.007 0.000 1.068 105 L CA -0.350 54.489 54.840 -0.003 0.000 0.894 105 L CB 0.122 42.155 42.059 -0.043 0.000 1.275 105 L HN 0.122 8.352 8.230 -0.000 0.000 0.432 106 E N 3.561 123.802 120.200 0.068 0.000 2.301 106 E HA 0.127 4.411 4.350 -0.110 0.000 0.275 106 E C -0.023 176.575 176.600 -0.004 0.000 1.030 106 E CA -0.434 56.013 56.400 0.078 0.000 0.852 106 E CB 0.578 30.431 29.700 0.256 0.000 1.060 106 E HN 0.482 8.842 8.360 -0.000 0.000 0.401 107 N N 2.065 120.749 118.700 -0.027 0.000 2.754 107 N HA -0.216 4.458 4.740 -0.110 0.000 0.248 107 N C -0.771 174.743 175.510 0.008 0.000 1.093 107 N CA 0.415 53.417 53.050 -0.080 0.000 0.699 107 N CB -1.449 36.998 38.487 -0.066 0.000 1.016 107 N HN 0.396 8.776 8.380 -0.000 0.000 0.552 108 L N 0.578 121.856 121.223 0.091 0.000 2.534 108 L HA 0.361 4.635 4.340 -0.110 0.000 0.271 108 L C 1.421 178.510 176.870 0.365 0.000 1.178 108 L CA 0.965 55.912 54.840 0.177 0.000 0.907 108 L CB 0.479 42.630 42.059 0.154 0.000 1.164 108 L HN 0.272 8.502 8.230 -0.000 0.000 0.482 109 G N 4.834 113.885 108.800 0.419 0.000 3.453 109 G HA2 0.216 4.110 3.960 -0.110 0.000 0.263 109 G HA3 0.216 4.110 3.960 -0.110 0.000 0.263 109 G C 0.177 175.256 174.900 0.298 0.000 1.060 109 G CA -0.273 45.054 45.100 0.378 0.000 0.793 109 G HN 0.543 8.833 8.290 -0.000 0.000 0.532 110 K N 0.598 121.209 120.400 0.352 0.000 2.508 110 K HA 0.392 4.646 4.320 -0.110 0.000 0.260 110 K C -3.044 173.729 176.600 0.288 0.000 0.949 110 K CA -1.933 54.516 56.287 0.271 0.000 0.834 110 K CB 3.124 35.805 32.500 0.303 0.000 1.365 110 K HN -0.173 8.077 8.250 -0.000 0.000 0.437 111 P HA 0.106 4.526 4.420 -0.000 0.000 0.275 111 P C -0.744 176.726 177.300 0.282 0.000 1.227 111 P CA -0.316 62.890 63.100 0.175 0.000 0.781 111 P CB 0.851 32.605 31.700 0.089 0.000 0.906 112 V N 5.333 125.383 119.914 0.227 0.000 2.447 112 V HA 0.362 4.416 4.120 -0.110 0.000 0.292 112 V C 0.268 176.448 176.094 0.144 0.000 1.021 112 V CA -0.409 62.040 62.300 0.248 0.000 0.850 112 V CB 1.313 33.253 31.823 0.196 0.000 1.005 112 V HN 0.407 8.597 8.190 -0.000 0.000 0.426 113 I N 5.216 125.868 120.570 0.137 0.000 2.406 113 I HA 0.520 4.624 4.170 -0.110 0.000 0.290 113 I C -0.453 175.716 176.117 0.087 0.000 0.999 113 I CA -0.910 60.449 61.300 0.099 0.000 1.124 113 I CB 2.127 40.177 38.000 0.083 0.000 1.289 113 I HN 0.247 8.457 8.210 -0.000 0.000 0.441 114 V N 5.027 124.977 119.914 0.060 0.000 2.472 114 V HA 0.630 4.683 4.120 -0.110 0.000 0.290 114 V C 0.119 176.258 176.094 0.076 0.000 1.037 114 V CA -0.128 62.192 62.300 0.033 0.000 0.908 114 V CB 1.607 33.389 31.823 -0.070 0.000 0.985 114 V HN 0.873 9.063 8.190 -0.000 0.000 0.454 115 T N 2.030 116.658 114.554 0.124 0.000 2.665 115 T HA 0.849 5.133 4.350 -0.110 0.000 0.303 115 T C -0.262 174.601 174.700 0.272 0.000 1.334 115 T CA 0.360 62.600 62.100 0.233 0.000 1.011 115 T CB 1.788 70.794 68.868 0.230 0.000 1.573 115 T HN 1.228 9.468 8.240 -0.000 0.000 0.492 116 G N 0.812 109.827 108.800 0.358 0.000 2.393 116 G HA2 0.547 4.441 3.960 -0.110 0.000 0.264 116 G HA3 0.547 4.441 3.960 -0.110 0.000 0.264 116 G C -1.241 173.853 174.900 0.324 0.000 1.221 116 G CA 0.298 45.603 45.100 0.342 0.000 0.912 116 G HN 1.647 9.937 8.290 -0.000 0.000 0.483 117 S N -1.489 114.445 115.700 0.390 0.000 2.550 117 S HA 0.551 4.955 4.470 -0.110 0.000 0.270 117 S C 0.007 174.869 174.600 0.436 0.000 1.145 117 S CA -0.449 57.957 58.200 0.342 0.000 0.852 117 S CB 2.280 65.585 63.200 0.174 0.000 1.119 117 S HN 0.485 8.795 8.310 -0.000 0.000 0.465 118 Q N 0.483 120.562 119.800 0.465 0.000 2.269 118 Q HA 0.332 4.606 4.340 -0.110 0.000 0.201 118 Q C 0.024 176.142 176.000 0.197 0.000 0.946 118 Q CA 0.972 56.961 55.803 0.310 0.000 0.877 118 Q CB 0.007 28.893 28.738 0.247 0.000 0.963 118 Q HN 0.735 9.005 8.270 -0.000 0.000 0.472 119 I N 2.711 123.422 120.570 0.235 0.000 2.436 119 I HA 0.234 4.338 4.170 -0.110 0.000 0.289 119 I C -2.336 173.869 176.117 0.147 0.000 1.010 119 I CA -2.528 58.876 61.300 0.174 0.000 1.098 119 I CB 2.270 40.398 38.000 0.214 0.000 1.266 119 I HN -0.160 8.050 8.210 -0.000 0.000 0.434 120 P HA -0.065 4.355 4.420 -0.000 0.000 0.266 120 P C 0.693 178.040 177.300 0.078 0.000 1.195 120 P CA -0.209 62.947 63.100 0.093 0.000 0.768 120 P CB 1.188 32.935 31.700 0.079 0.000 0.838 121 L N 3.972 125.230 121.223 0.059 0.000 2.189 121 L HA -0.220 4.054 4.340 -0.110 0.000 0.214 121 L C 2.366 179.266 176.870 0.049 0.000 1.097 121 L CA 2.344 57.208 54.840 0.040 0.000 0.764 121 L CB -1.274 40.786 42.059 0.002 0.000 0.900 121 L HN 0.491 8.721 8.230 -0.000 0.000 0.436 122 A N -1.618 121.237 122.820 0.058 0.000 2.014 122 A HA -0.041 4.213 4.320 -0.110 0.000 0.218 122 A C 1.163 178.780 177.584 0.056 0.000 1.163 122 A CA 0.473 52.548 52.037 0.063 0.000 0.652 122 A CB -0.376 18.663 19.000 0.065 0.000 0.808 122 A HN 0.535 8.685 8.150 -0.000 0.000 0.449 123 E N -0.853 119.381 120.200 0.058 0.000 2.318 123 E HA 0.414 4.698 4.350 -0.110 0.000 0.265 123 E C -0.943 175.693 176.600 0.061 0.000 1.069 123 E CA -0.920 55.514 56.400 0.057 0.000 0.893 123 E CB 0.964 30.701 29.700 0.061 0.000 1.076 123 E HN 0.244 8.604 8.360 -0.000 0.000 0.414 124 L N 1.832 123.089 121.223 0.056 0.000 2.461 124 L HA 0.035 4.308 4.340 -0.110 0.000 0.272 124 L C 0.634 177.550 176.870 0.078 0.000 1.197 124 L CA 0.887 55.760 54.840 0.055 0.000 0.836 124 L CB -0.030 42.057 42.059 0.047 0.000 1.105 124 L HN 0.590 8.820 8.230 -0.000 0.000 0.477 125 R N 0.764 121.304 120.500 0.066 0.000 3.989 125 R HA -0.174 4.100 4.340 -0.110 0.000 0.377 125 R C 0.399 176.764 176.300 0.108 0.000 1.158 125 R CA 0.750 56.901 56.100 0.085 0.000 1.035 125 R CB -2.238 28.157 30.300 0.157 0.000 1.557 125 R HN 0.664 8.934 8.270 -0.000 0.000 0.551 126 S N 1.296 117.048 115.700 0.087 0.000 2.558 126 S HA -0.002 4.402 4.470 -0.110 0.000 0.288 126 S C 1.159 175.771 174.600 0.021 0.000 1.318 126 S CA 0.328 58.588 58.200 0.099 0.000 1.056 126 S CB 0.541 63.785 63.200 0.072 0.000 0.853 126 S HN 0.337 8.647 8.310 -0.000 0.000 0.505 127 D N 2.952 123.383 120.400 0.052 0.000 2.363 127 D HA 0.146 4.720 4.640 -0.110 0.000 0.214 127 D C 1.560 177.826 176.300 -0.056 0.000 1.093 127 D CA 0.377 54.328 54.000 -0.082 0.000 0.837 127 D CB -0.680 40.075 40.800 -0.076 0.000 0.948 127 D HN 0.591 8.961 8.370 -0.000 0.000 0.507 128 G N 1.282 110.086 108.800 0.007 0.000 2.433 128 G HA2 -0.346 3.548 3.960 -0.110 0.000 0.216 128 G HA3 -0.346 3.548 3.960 -0.110 0.000 0.216 128 G C 1.442 176.347 174.900 0.008 0.000 1.186 128 G CA 0.819 45.923 45.100 0.006 0.000 0.779 128 G HN 0.384 8.674 8.290 -0.000 0.000 0.543 129 Q N -0.460 119.363 119.800 0.038 0.000 2.061 129 Q HA -0.129 4.145 4.340 -0.110 0.000 0.204 129 Q C 2.441 178.478 176.000 0.061 0.000 0.984 129 Q CA 1.524 57.413 55.803 0.145 0.000 0.846 129 Q CB -0.232 28.591 28.738 0.141 0.000 0.902 129 Q HN 0.423 8.693 8.270 -0.000 0.000 0.421 130 I N 1.285 121.826 120.570 -0.048 0.000 2.315 130 I HA -0.224 3.880 4.170 -0.110 0.000 0.248 130 I C 1.539 177.615 176.117 -0.068 0.000 1.117 130 I CA 1.290 62.528 61.300 -0.102 0.000 1.404 130 I CB -0.304 37.621 38.000 -0.125 0.000 1.071 130 I HN 0.217 8.427 8.210 -0.000 0.000 0.419 131 N N 0.178 118.849 118.700 -0.048 0.000 2.216 131 N HA -0.133 4.541 4.740 -0.110 0.000 0.183 131 N C 1.799 177.291 175.510 -0.031 0.000 1.017 131 N CA 1.311 54.372 53.050 0.018 0.000 0.861 131 N CB -0.495 37.925 38.487 -0.112 0.000 0.986 131 N HN 0.337 8.717 8.380 -0.000 0.000 0.428 132 L N 0.964 122.174 121.223 -0.022 0.000 2.027 132 L HA 0.042 4.316 4.340 -0.110 0.000 0.206 132 L C 2.071 178.918 176.870 -0.038 0.000 1.074 132 L CA 1.179 56.000 54.840 -0.031 0.000 0.745 132 L CB -0.840 41.207 42.059 -0.020 0.000 0.898 132 L HN 0.103 8.333 8.230 -0.000 0.000 0.433 133 L N -0.264 120.948 121.223 -0.018 0.000 2.046 133 L HA -0.214 4.059 4.340 -0.110 0.000 0.208 133 L C 2.267 178.990 176.870 -0.245 0.000 1.077 133 L CA 1.616 56.318 54.840 -0.231 0.000 0.747 133 L CB -0.601 41.117 42.059 -0.569 0.000 0.896 133 L HN 0.378 8.608 8.230 -0.000 0.000 0.432 134 N N 0.059 118.574 118.700 -0.309 0.000 2.120 134 N HA -0.142 4.532 4.740 -0.110 0.000 0.188 134 N C 1.811 176.927 175.510 -0.658 0.000 1.024 134 N CA 1.465 54.224 53.050 -0.485 0.000 0.852 134 N CB -0.348 37.745 38.487 -0.656 0.000 1.003 134 N HN 0.518 8.898 8.380 -0.000 0.000 0.424 135 A N 1.229 123.671 122.820 -0.631 0.000 1.902 135 A HA -0.044 4.210 4.320 -0.110 0.000 0.217 135 A C 2.417 179.862 177.584 -0.232 0.000 1.181 135 A CA 0.846 52.611 52.037 -0.452 0.000 0.623 135 A CB -0.674 18.193 19.000 -0.222 0.000 0.818 135 A HN 0.194 8.344 8.150 -0.000 0.000 0.443 136 L N -2.323 118.792 121.223 -0.180 0.000 2.017 136 L HA -0.198 4.076 4.340 -0.110 0.000 0.208 136 L C 2.601 179.443 176.870 -0.047 0.000 1.073 136 L CA 1.892 56.664 54.840 -0.113 0.000 0.745 136 L CB -0.683 41.291 42.059 -0.143 0.000 0.894 136 L HN 0.556 8.786 8.230 -0.000 0.000 0.432 137 Y N 0.124 120.327 120.300 -0.163 0.000 2.181 137 Y HA -0.234 4.250 4.550 -0.110 0.000 0.288 137 Y C 2.378 178.253 175.900 -0.041 0.000 1.146 137 Y CA 1.590 59.631 58.100 -0.099 0.000 1.164 137 Y CB -0.223 38.162 38.460 -0.125 0.000 0.982 137 Y HN -0.156 8.124 8.280 -0.000 0.000 0.515 138 V N 0.014 119.900 119.914 -0.047 0.000 2.358 138 V HA -0.287 3.767 4.120 -0.110 0.000 0.246 138 V C 2.631 178.702 176.094 -0.039 0.000 1.047 138 V CA 1.683 63.964 62.300 -0.031 0.000 1.035 138 V CB -1.485 30.275 31.823 -0.104 0.000 0.658 138 V HN 0.532 8.722 8.190 -0.000 0.000 0.452 139 A N -0.111 122.667 122.820 -0.071 0.000 1.940 139 A HA -0.113 4.141 4.320 -0.110 0.000 0.219 139 A C 2.337 179.873 177.584 -0.080 0.000 1.176 139 A CA 2.179 54.186 52.037 -0.051 0.000 0.631 139 A CB -0.579 18.391 19.000 -0.051 0.000 0.814 139 A HN 0.573 8.723 8.150 -0.000 0.000 0.446 140 A N -0.675 122.072 122.820 -0.121 0.000 1.935 140 A HA -0.020 4.234 4.320 -0.110 0.000 0.214 140 A C 1.871 179.322 177.584 -0.221 0.000 1.178 140 A CA 1.276 53.225 52.037 -0.148 0.000 0.640 140 A CB -0.216 18.706 19.000 -0.130 0.000 0.825 140 A HN 0.548 8.698 8.150 -0.000 0.000 0.447 141 N N -2.086 116.422 118.700 -0.320 0.000 2.407 141 N HA 0.090 4.764 4.740 -0.110 0.000 0.182 141 N C -0.733 174.431 175.510 -0.578 0.000 1.079 141 N CA 0.559 53.328 53.050 -0.469 0.000 0.882 141 N CB 0.402 38.471 38.487 -0.697 0.000 1.106 141 N HN 0.486 8.866 8.380 -0.000 0.000 0.461 142 Y N 1.650 121.841 120.300 -0.181 0.000 2.470 142 Y HA 0.329 4.813 4.550 -0.110 0.000 0.352 142 Y C -2.300 173.556 175.900 -0.074 0.000 0.967 142 Y CA -2.052 55.987 58.100 -0.101 0.000 1.121 142 Y CB 0.861 39.281 38.460 -0.068 0.000 1.149 142 Y HN -0.066 8.214 8.280 -0.000 0.000 0.641 143 P HA 0.165 4.585 4.420 -0.000 0.000 0.271 143 P C -0.233 177.074 177.300 0.010 0.000 1.226 143 P CA 0.543 63.643 63.100 -0.000 0.000 0.765 143 P CB 1.570 33.251 31.700 -0.032 0.000 0.835 144 I N 3.613 124.195 120.570 0.019 0.000 2.439 144 I HA 0.198 4.302 4.170 -0.110 0.000 0.285 144 I C 0.348 176.460 176.117 -0.009 0.000 1.021 144 I CA -0.797 60.501 61.300 -0.004 0.000 1.091 144 I CB 1.539 39.544 38.000 0.009 0.000 1.242 144 I HN 0.123 8.333 8.210 -0.000 0.000 0.439 145 N N 7.363 126.025 118.700 -0.063 0.000 3.050 145 N HA 0.210 4.884 4.740 -0.110 0.000 0.289 145 N C -0.554 174.925 175.510 -0.053 0.000 1.209 145 N CA 0.186 53.212 53.050 -0.041 0.000 1.154 145 N CB 0.148 38.585 38.487 -0.083 0.000 1.444 145 N HN 0.657 9.037 8.380 -0.000 0.000 0.529 146 E N -0.992 119.211 120.200 0.006 0.000 2.445 146 E HA 0.315 4.598 4.350 -0.110 0.000 0.279 146 E C -0.941 175.669 176.600 0.018 0.000 1.018 146 E CA -0.881 55.520 56.400 0.002 0.000 0.816 146 E CB 1.777 31.459 29.700 -0.030 0.000 1.356 146 E HN -0.128 8.232 8.360 -0.000 0.000 0.462 147 V N 2.003 121.905 119.914 -0.020 0.000 2.455 147 V HA 0.264 4.318 4.120 -0.110 0.000 0.273 147 V C 0.250 176.326 176.094 -0.029 0.000 1.045 147 V CA 0.165 62.452 62.300 -0.022 0.000 0.976 147 V CB 0.456 32.232 31.823 -0.078 0.000 0.993 147 V HN 0.797 8.987 8.190 -0.000 0.000 0.475 148 T N 3.269 117.828 114.554 0.009 0.000 2.926 148 T HA 0.793 5.077 4.350 -0.110 0.000 0.289 148 T C -0.798 173.918 174.700 0.028 0.000 1.054 148 T CA -0.843 61.270 62.100 0.023 0.000 1.015 148 T CB 2.072 70.974 68.868 0.056 0.000 1.167 148 T HN 0.453 8.693 8.240 -0.000 0.000 0.526 149 L N 1.319 122.573 121.223 0.053 0.000 2.406 149 L HA 0.731 5.004 4.340 -0.110 0.000 0.272 149 L C -1.741 175.228 176.870 0.165 0.000 0.980 149 L CA -1.109 53.753 54.840 0.036 0.000 0.831 149 L CB 1.392 43.370 42.059 -0.135 0.000 1.253 149 L HN 0.804 9.034 8.230 -0.000 0.000 0.406 150 F N 5.632 125.628 119.950 0.078 0.000 2.436 150 F HA 0.669 5.130 4.527 -0.110 0.000 0.340 150 F C -1.360 174.593 175.800 0.254 0.000 1.113 150 F CA -0.358 57.702 58.000 0.100 0.000 1.022 150 F CB 1.232 40.245 39.000 0.021 0.000 1.128 150 F HN 0.397 8.697 8.300 -0.000 0.000 0.466 151 F N 5.651 125.258 119.950 -0.572 0.000 2.639 151 F HA 0.196 4.658 4.527 -0.109 0.000 0.320 151 F C 0.025 175.671 175.800 -0.257 0.000 1.128 151 F CA -0.988 56.912 58.000 -0.168 0.000 1.037 151 F CB 1.169 40.282 39.000 0.188 0.000 1.288 151 F HN 0.662 8.962 8.300 -0.000 0.000 0.463 152 N N 4.633 123.215 118.700 -0.196 0.000 2.714 152 N HA -0.293 4.381 4.740 -0.110 0.000 0.253 152 N C -0.082 175.324 175.510 -0.172 0.000 1.024 152 N CA 1.304 54.311 53.050 -0.071 0.000 0.726 152 N CB -0.753 37.841 38.487 0.178 0.000 0.908 152 N HN 1.018 9.398 8.380 -0.000 0.000 0.542 153 N N -1.761 116.758 118.700 -0.302 0.000 2.828 153 N HA -0.220 4.454 4.740 -0.110 0.000 0.248 153 N C -0.667 174.634 175.510 -0.349 0.000 1.044 153 N CA 1.326 54.266 53.050 -0.182 0.000 0.851 153 N CB -0.448 38.002 38.487 -0.061 0.000 1.136 153 N HN 0.563 8.943 8.380 -0.000 0.000 0.572 154 R N 0.059 120.120 120.500 -0.731 0.000 2.673 154 R HA 0.607 4.881 4.340 -0.110 0.000 0.281 154 R C -1.457 174.287 176.300 -0.925 0.000 0.991 154 R CA -0.863 54.819 56.100 -0.696 0.000 0.896 154 R CB 1.867 31.745 30.300 -0.702 0.000 1.201 154 R HN 0.005 8.275 8.270 -0.000 0.000 0.457 155 L N 3.032 123.913 121.223 -0.569 0.000 2.305 155 L HA 0.479 4.753 4.340 -0.110 0.000 0.284 155 L C -1.592 175.040 176.870 -0.397 0.000 1.013 155 L CA -0.303 54.377 54.840 -0.267 0.000 0.819 155 L CB 0.783 42.876 42.059 0.057 0.000 1.227 155 L HN 0.475 8.705 8.230 -0.000 0.000 0.417 156 Y N 3.085 123.371 120.300 -0.023 0.000 2.528 156 Y HA 0.543 5.028 4.550 -0.109 0.000 0.335 156 Y C 0.223 176.098 175.900 -0.042 0.000 1.093 156 Y CA -0.786 57.292 58.100 -0.035 0.000 1.134 156 Y CB 1.079 39.509 38.460 -0.051 0.000 1.253 156 Y HN 0.500 8.780 8.280 -0.000 0.000 0.478 157 R N 0.696 121.269 120.500 0.122 0.000 2.401 157 R HA 0.172 4.446 4.340 -0.110 0.000 0.299 157 R C 1.205 177.499 176.300 -0.010 0.000 1.064 157 R CA 0.582 56.697 56.100 0.026 0.000 1.000 157 R CB 0.374 30.675 30.300 0.001 0.000 0.973 157 R HN 1.049 9.319 8.270 -0.000 0.000 0.438 158 G N 3.695 112.461 108.800 -0.058 0.000 2.529 158 G HA2 -0.389 3.505 3.960 -0.110 0.000 0.219 158 G HA3 -0.389 3.505 3.960 -0.110 0.000 0.219 158 G C 0.865 175.670 174.900 -0.158 0.000 1.177 158 G CA 1.092 46.122 45.100 -0.117 0.000 0.773 158 G HN 0.855 9.145 8.290 -0.000 0.000 0.573 159 N N -0.379 118.210 118.700 -0.185 0.000 2.485 159 N HA 0.071 4.745 4.740 -0.110 0.000 0.199 159 N C 1.421 176.863 175.510 -0.114 0.000 1.236 159 N CA 0.139 53.076 53.050 -0.189 0.000 0.852 159 N CB 0.198 38.500 38.487 -0.310 0.000 1.018 159 N HN 0.176 8.556 8.380 -0.000 0.000 0.457 160 R N -0.521 119.921 120.500 -0.097 0.000 2.509 160 R HA 0.147 4.421 4.340 -0.110 0.000 0.297 160 R C 0.070 176.309 176.300 -0.101 0.000 0.951 160 R CA 0.262 56.319 56.100 -0.071 0.000 1.103 160 R CB 0.177 30.458 30.300 -0.033 0.000 1.283 160 R HN 0.463 8.733 8.270 -0.000 0.000 0.534 161 T N -1.313 113.161 114.554 -0.134 0.000 2.902 161 T HA 0.808 5.092 4.350 -0.110 0.000 0.280 161 T C -0.050 174.561 174.700 -0.147 0.000 0.992 161 T CA -0.654 61.345 62.100 -0.168 0.000 1.015 161 T CB 2.410 71.160 68.868 -0.197 0.000 1.044 161 T HN 0.103 8.343 8.240 -0.000 0.000 0.520 162 A N 1.132 123.892 122.820 -0.100 0.000 2.566 162 A HA 0.620 4.874 4.320 -0.110 0.000 0.297 162 A C -0.631 176.894 177.584 -0.098 0.000 1.059 162 A CA -1.047 50.924 52.037 -0.110 0.000 0.691 162 A CB 1.329 20.229 19.000 -0.167 0.000 1.282 162 A HN 0.957 9.107 8.150 -0.000 0.000 0.401 163 K N 1.617 121.902 120.400 -0.193 0.000 2.338 163 K HA 0.485 4.739 4.320 -0.110 0.000 0.290 163 K C 0.797 177.130 176.600 -0.446 0.000 1.069 163 K CA 0.554 56.478 56.287 -0.604 0.000 0.941 163 K CB 0.595 32.757 32.500 -0.563 0.000 1.023 163 K HN 0.815 9.065 8.250 -0.000 0.000 0.477 164 A N 4.719 127.225 122.820 -0.524 0.000 2.140 164 A HA 0.084 4.338 4.320 -0.110 0.000 0.209 164 A C -0.099 177.036 177.584 -0.748 0.000 1.181 164 A CA 0.203 51.883 52.037 -0.595 0.000 0.824 164 A CB 0.241 18.833 19.000 -0.681 0.000 0.879 164 A HN 0.728 8.878 8.150 -0.000 0.000 0.480 165 H N -0.638 118.286 119.070 -0.244 0.000 2.791 165 H HA 0.492 4.983 4.556 -0.109 0.000 0.272 165 H C 1.058 176.260 175.328 -0.209 0.000 1.188 165 H CA 0.007 55.947 56.048 -0.180 0.000 1.436 165 H CB 1.056 30.737 29.762 -0.134 0.000 1.467 165 H HN 0.269 8.549 8.280 -0.000 0.000 0.500 166 A N 2.086 124.846 122.820 -0.101 0.000 1.948 166 A HA -0.167 4.087 4.320 -0.110 0.000 0.220 166 A C 1.505 179.033 177.584 -0.094 0.000 1.177 166 A CA 1.651 53.620 52.037 -0.114 0.000 0.636 166 A CB 0.073 19.022 19.000 -0.085 0.000 0.815 166 A HN 0.551 8.701 8.150 -0.000 0.000 0.449 167 D N -1.150 119.205 120.400 -0.075 0.000 2.369 167 D HA 0.171 4.745 4.640 -0.110 0.000 0.211 167 D C 0.879 177.076 176.300 -0.172 0.000 1.077 167 D CA 0.604 54.538 54.000 -0.110 0.000 0.842 167 D CB 0.349 41.096 40.800 -0.089 0.000 0.947 167 D HN 0.392 8.762 8.370 -0.000 0.000 0.509 168 G N -0.342 108.386 108.800 -0.120 0.000 2.462 168 G HA2 0.293 4.187 3.960 -0.110 0.000 0.319 168 G HA3 0.293 4.187 3.960 -0.110 0.000 0.319 168 G C 0.131 174.988 174.900 -0.072 0.000 1.171 168 G CA -0.508 44.508 45.100 -0.140 0.000 0.920 168 G HN -0.129 8.161 8.290 -0.000 0.000 0.499 169 F N -0.081 119.931 119.950 0.104 0.000 2.407 169 F HA 0.045 4.506 4.527 -0.110 0.000 0.299 169 F C 1.876 177.856 175.800 0.300 0.000 1.097 169 F CA 0.683 58.799 58.000 0.193 0.000 1.422 169 F CB 0.245 39.307 39.000 0.102 0.000 1.067 169 F HN 0.412 8.712 8.300 -0.000 0.000 0.539 170 D N -0.089 120.514 120.400 0.338 0.000 3.057 170 D HA 0.201 4.775 4.640 -0.110 0.000 0.246 170 D C 1.444 177.879 176.300 0.226 0.000 1.238 170 D CA 0.261 54.438 54.000 0.295 0.000 0.949 170 D CB 0.035 40.923 40.800 0.147 0.000 1.086 170 D HN 0.177 8.547 8.370 -0.000 0.000 0.487 171 A N 0.309 123.212 122.820 0.139 0.000 1.972 171 A HA -0.021 4.233 4.320 -0.110 0.000 0.219 171 A C 0.511 177.731 177.584 -0.606 0.000 1.169 171 A CA 0.597 52.462 52.037 -0.288 0.000 0.635 171 A CB -0.359 18.281 19.000 -0.600 0.000 0.810 171 A HN 0.334 8.485 8.150 -0.000 0.000 0.446 172 F N -1.655 118.155 119.950 -0.232 0.000 2.470 172 F HA 0.669 5.129 4.527 -0.111 0.000 0.329 172 F C 0.454 176.020 175.800 -0.390 0.000 1.072 172 F CA -0.200 57.594 58.000 -0.343 0.000 0.989 172 F CB 1.726 40.468 39.000 -0.430 0.000 1.193 172 F HN 0.163 8.463 8.300 -0.000 0.000 0.481 173 A N 0.759 123.395 122.820 -0.308 0.000 2.527 173 A HA 0.701 4.955 4.320 -0.110 0.000 0.293 173 A C -0.996 176.320 177.584 -0.445 0.000 1.117 173 A CA -0.646 51.164 52.037 -0.378 0.000 0.723 173 A CB 1.654 20.540 19.000 -0.190 0.000 1.313 173 A HN 0.579 8.729 8.150 -0.000 0.000 0.411 174 S N 1.403 116.907 115.700 -0.327 0.000 2.158 174 S HA 0.432 4.836 4.470 -0.110 0.000 0.160 174 S C -1.613 172.953 174.600 -0.056 0.000 1.693 174 S CA -1.063 57.040 58.200 -0.162 0.000 1.251 174 S CB 0.595 63.791 63.200 -0.007 0.000 1.153 174 S HN 0.500 8.810 8.310 -0.000 0.000 0.439 175 P HA -0.120 4.300 4.420 -0.000 0.000 0.217 175 P C 0.411 177.702 177.300 -0.014 0.000 1.151 175 P CA 1.361 64.438 63.100 -0.038 0.000 0.849 175 P CB 0.076 31.743 31.700 -0.055 0.000 0.787 176 N N -0.986 117.707 118.700 -0.013 0.000 2.214 176 N HA 0.203 4.877 4.740 -0.110 0.000 0.214 176 N C 0.055 175.571 175.510 0.010 0.000 1.132 176 N CA -0.051 52.998 53.050 -0.001 0.000 0.856 176 N CB 0.822 39.306 38.487 -0.005 0.000 1.020 176 N HN 0.184 8.564 8.380 -0.000 0.000 0.509 177 L N 0.542 121.778 121.223 0.021 0.000 2.513 177 L HA 0.507 4.781 4.340 -0.110 0.000 0.261 177 L C -2.777 174.132 176.870 0.065 0.000 0.945 177 L CA -1.472 53.389 54.840 0.036 0.000 0.848 177 L CB 2.505 44.583 42.059 0.031 0.000 1.334 177 L HN -0.208 8.022 8.230 -0.000 0.000 0.407 178 P HA 0.329 4.749 4.420 -0.000 0.000 0.272 178 P C -2.674 174.677 177.300 0.085 0.000 1.240 178 P CA -0.915 62.227 63.100 0.070 0.000 0.791 178 P CB -0.097 31.626 31.700 0.038 0.000 0.978 179 P HA 0.101 4.521 4.420 -0.000 0.000 0.273 179 P C 0.319 177.591 177.300 -0.046 0.000 1.250 179 P CA 0.107 63.189 63.100 -0.030 0.000 0.793 179 P CB 0.792 32.345 31.700 -0.246 0.000 1.011 180 L N -0.534 120.647 121.223 -0.070 0.000 2.354 180 L HA 0.276 4.550 4.340 -0.110 0.000 0.212 180 L C 1.253 178.096 176.870 -0.044 0.000 1.091 180 L CA 0.647 55.465 54.840 -0.036 0.000 0.828 180 L CB -0.118 41.932 42.059 -0.016 0.000 0.973 180 L HN 0.300 8.530 8.230 -0.000 0.000 0.461 181 L N -0.587 120.585 121.223 -0.085 0.000 2.506 181 L HA 0.468 4.742 4.340 -0.110 0.000 0.257 181 L C -1.644 175.159 176.870 -0.112 0.000 0.964 181 L CA -0.451 54.345 54.840 -0.074 0.000 0.836 181 L CB 2.860 44.898 42.059 -0.035 0.000 1.384 181 L HN -0.093 8.137 8.230 -0.000 0.000 0.410 182 E N 2.430 122.575 120.200 -0.092 0.000 2.293 182 E HA 0.724 5.007 4.350 -0.110 0.000 0.270 182 E C -1.331 175.232 176.600 -0.062 0.000 0.879 182 E CA -0.941 55.406 56.400 -0.089 0.000 0.756 182 E CB 2.361 32.017 29.700 -0.075 0.000 1.208 182 E HN 0.667 9.027 8.360 -0.000 0.000 0.428 183 A N 1.683 124.485 122.820 -0.031 0.000 2.318 183 A HA 0.846 5.100 4.320 -0.110 0.000 0.324 183 A C -0.108 177.455 177.584 -0.035 0.000 1.170 183 A CA 0.008 52.034 52.037 -0.018 0.000 0.810 183 A CB 1.431 20.471 19.000 0.067 0.000 1.198 183 A HN 0.682 8.832 8.150 -0.000 0.000 0.484 184 G N 0.107 108.877 108.800 -0.051 0.000 3.100 184 G HA2 0.419 4.313 3.960 -0.110 0.000 0.174 184 G HA3 0.419 4.313 3.960 -0.110 0.000 0.174 184 G C 0.687 175.517 174.900 -0.117 0.000 1.136 184 G CA -0.161 44.899 45.100 -0.067 0.000 0.881 184 G HN 0.482 8.772 8.290 -0.000 0.000 0.616 185 I N 0.841 121.312 120.570 -0.166 0.000 2.264 185 I HA -0.026 4.078 4.170 -0.110 0.000 0.248 185 I C 0.729 176.579 176.117 -0.445 0.000 1.111 185 I CA 1.037 62.144 61.300 -0.321 0.000 1.382 185 I CB -0.197 37.565 38.000 -0.395 0.000 1.060 185 I HN 0.193 8.403 8.210 -0.000 0.000 0.418 186 H N -0.011 119.039 119.070 -0.034 0.000 2.737 186 H HA 0.440 4.930 4.556 -0.110 0.000 0.358 186 H C -0.326 174.956 175.328 -0.075 0.000 1.187 186 H CA -0.843 55.191 56.048 -0.024 0.000 1.221 186 H CB 2.170 31.932 29.762 -0.000 0.000 1.799 186 H HN -0.205 8.075 8.280 -0.000 0.000 0.568 187 I N 2.233 122.803 120.570 -0.000 0.000 2.321 187 I HA 0.243 4.347 4.170 -0.110 0.000 0.291 187 I C 0.139 176.107 176.117 -0.247 0.000 0.998 187 I CA -0.549 60.584 61.300 -0.277 0.000 1.227 187 I CB 0.706 38.213 38.000 -0.821 0.000 1.368 187 I HN 0.309 8.519 8.210 -0.000 0.000 0.466 188 R N 5.557 125.966 120.500 -0.151 0.000 2.494 188 R HA 0.488 4.762 4.340 -0.110 0.000 0.305 188 R C -0.410 175.853 176.300 -0.062 0.000 0.959 188 R CA -0.720 55.339 56.100 -0.068 0.000 0.864 188 R CB 1.458 31.745 30.300 -0.022 0.000 1.159 188 R HN 0.307 8.577 8.270 -0.000 0.000 0.446 189 R N 2.811 123.308 120.500 -0.006 0.000 2.265 189 R HA 0.283 4.557 4.340 -0.110 0.000 0.314 189 R C -0.258 176.044 176.300 0.004 0.000 1.053 189 R CA -0.763 55.345 56.100 0.014 0.000 0.931 189 R CB 0.414 30.751 30.300 0.062 0.000 1.024 189 R HN 0.298 8.568 8.270 -0.000 0.000 0.457 190 L N 1.841 123.060 121.223 -0.006 0.000 2.439 190 L HA 0.187 4.461 4.340 -0.110 0.000 0.259 190 L C 1.330 178.202 176.870 0.003 0.000 1.129 190 L CA -0.041 54.797 54.840 -0.005 0.000 0.803 190 L CB 0.328 42.379 42.059 -0.012 0.000 1.161 190 L HN 0.469 8.699 8.230 -0.000 0.000 0.462 191 N N -0.418 118.285 118.700 0.005 0.000 2.484 191 N HA 0.020 4.694 4.740 -0.110 0.000 0.245 191 N C -0.709 174.806 175.510 0.008 0.000 1.184 191 N CA 0.018 53.072 53.050 0.007 0.000 0.884 191 N CB -0.196 38.296 38.487 0.008 0.000 1.182 191 N HN 0.605 8.985 8.380 -0.000 0.000 0.493 192 T N 2.051 116.610 114.554 0.007 0.000 2.834 192 T HA 0.165 4.449 4.350 -0.110 0.000 0.298 192 T C -2.319 172.386 174.700 0.008 0.000 0.966 192 T CA -0.773 61.332 62.100 0.009 0.000 1.141 192 T CB 0.772 69.646 68.868 0.009 0.000 0.905 192 T HN 0.198 8.438 8.240 -0.000 0.000 0.535 193 P HA 0.159 4.579 4.420 -0.000 0.000 0.261 193 P C -2.271 175.034 177.300 0.009 0.000 1.183 193 P CA -0.883 62.224 63.100 0.011 0.000 0.761 193 P CB -0.344 31.364 31.700 0.013 0.000 0.785 194 P HA 0.126 4.546 4.420 -0.000 0.000 0.267 194 P C -0.382 176.927 177.300 0.015 0.000 1.200 194 P CA 0.058 63.160 63.100 0.005 0.000 0.772 194 P CB 0.507 32.210 31.700 0.005 0.000 0.855 195 A N 4.371 127.198 122.820 0.012 0.000 2.304 195 A HA 0.484 4.738 4.320 -0.110 0.000 0.271 195 A C -2.035 175.583 177.584 0.057 0.000 1.091 195 A CA -1.374 50.676 52.037 0.022 0.000 0.812 195 A CB -0.903 18.098 19.000 0.001 0.000 1.056 195 A HN 0.464 8.614 8.150 -0.000 0.000 0.489 196 P HA 0.046 4.466 4.420 -0.000 0.000 0.263 196 P C -1.032 176.338 177.300 0.117 0.000 1.195 196 P CA 0.824 63.967 63.100 0.072 0.000 0.762 196 P CB 0.158 31.888 31.700 0.049 0.000 0.799 197 H N 1.887 120.965 119.070 0.013 0.000 2.658 197 H HA 0.557 5.047 4.556 -0.110 0.000 0.337 197 H C -0.034 175.309 175.328 0.025 0.000 1.009 197 H CA -0.398 55.660 56.048 0.016 0.000 1.231 197 H CB 0.953 30.726 29.762 0.018 0.000 1.508 197 H HN 0.494 8.774 8.280 -0.000 0.000 0.517 198 G N 3.656 112.202 108.800 -0.423 0.000 2.444 198 G HA2 0.358 4.252 3.960 -0.110 0.000 0.268 198 G HA3 0.358 4.252 3.960 -0.110 0.000 0.268 198 G C -0.722 173.881 174.900 -0.496 0.000 1.203 198 G CA -0.636 44.266 45.100 -0.330 0.000 0.835 198 G HN 0.719 9.009 8.290 -0.000 0.000 0.543 199 E N -0.043 120.017 120.200 -0.234 0.000 2.207 199 E HA 0.659 4.943 4.350 -0.110 0.000 0.270 199 E C 0.400 176.966 176.600 -0.057 0.000 0.927 199 E CA -0.100 56.222 56.400 -0.129 0.000 0.799 199 E CB 2.087 31.765 29.700 -0.038 0.000 1.172 199 E HN 0.920 9.280 8.360 -0.000 0.000 0.404 200 G N 1.710 110.501 108.800 -0.015 0.000 2.302 200 G HA2 -0.124 3.770 3.960 -0.110 0.000 0.276 200 G HA3 -0.124 3.770 3.960 -0.110 0.000 0.276 200 G C -1.198 173.713 174.900 0.018 0.000 1.316 200 G CA -0.915 44.187 45.100 0.003 0.000 0.988 200 G HN 0.570 8.860 8.290 -0.000 0.000 0.479 201 E N -0.467 119.739 120.200 0.011 0.000 2.383 201 E HA 0.440 4.724 4.350 -0.110 0.000 0.264 201 E C 0.241 176.819 176.600 -0.037 0.000 1.050 201 E CA -0.717 55.689 56.400 0.010 0.000 0.896 201 E CB 0.927 30.630 29.700 0.004 0.000 0.982 201 E HN 0.733 9.093 8.360 -0.000 0.000 0.424 202 L N 5.347 126.518 121.223 -0.087 0.000 2.499 202 L HA 0.212 4.486 4.340 -0.110 0.000 0.273 202 L C -0.880 175.881 176.870 -0.182 0.000 1.195 202 L CA 0.765 55.473 54.840 -0.220 0.000 0.882 202 L CB 0.271 41.982 42.059 -0.580 0.000 1.133 202 L HN 0.480 8.710 8.230 -0.000 0.000 0.483 203 I N 5.734 126.206 120.570 -0.163 0.000 2.436 203 I HA 0.348 4.452 4.170 -0.110 0.000 0.289 203 I C -0.918 175.052 176.117 -0.244 0.000 1.010 203 I CA -0.840 60.338 61.300 -0.203 0.000 1.098 203 I CB 1.891 39.775 38.000 -0.194 0.000 1.266 203 I HN 0.238 8.448 8.210 -0.000 0.000 0.434 204 V N 5.602 125.364 119.914 -0.253 0.000 2.350 204 V HA 0.276 4.329 4.120 -0.110 0.000 0.285 204 V C -0.606 175.393 176.094 -0.159 0.000 1.014 204 V CA -0.709 61.503 62.300 -0.146 0.000 0.831 204 V CB 1.007 32.782 31.823 -0.081 0.000 1.000 204 V HN 0.590 8.780 8.190 -0.000 0.000 0.433 205 H N 5.346 124.491 119.070 0.124 0.000 2.668 205 H HA 0.427 4.917 4.556 -0.110 0.000 0.303 205 H C -2.420 173.007 175.328 0.165 0.000 1.074 205 H CA -1.636 54.516 56.048 0.173 0.000 1.406 205 H CB 0.796 30.763 29.762 0.342 0.000 1.442 205 H HN 0.456 8.736 8.280 -0.000 0.000 0.482 206 P HA 0.185 4.605 4.420 -0.000 0.000 0.276 206 P C -0.307 177.098 177.300 0.175 0.000 1.244 206 P CA -0.494 62.700 63.100 0.156 0.000 0.801 206 P CB 0.971 32.728 31.700 0.096 0.000 1.006 207 I N -2.318 118.347 120.570 0.158 0.000 2.892 207 I HA 0.802 4.906 4.170 -0.110 0.000 0.306 207 I C -0.629 175.550 176.117 0.104 0.000 1.078 207 I CA -0.884 60.513 61.300 0.161 0.000 1.032 207 I CB 2.569 40.720 38.000 0.251 0.000 1.229 207 I HN 0.268 8.478 8.210 -0.000 0.000 0.435 208 T N 0.363 114.975 114.554 0.097 0.000 2.907 208 T HA 0.611 4.895 4.350 -0.110 0.000 0.292 208 T C -2.874 171.875 174.700 0.082 0.000 1.043 208 T CA -2.148 59.989 62.100 0.062 0.000 1.003 208 T CB 1.420 70.310 68.868 0.037 0.000 1.084 208 T HN 0.451 8.691 8.240 -0.000 0.000 0.483 209 P HA 0.124 4.544 4.420 -0.000 0.000 0.263 209 P C -0.788 176.544 177.300 0.053 0.000 1.175 209 P CA 0.207 63.344 63.100 0.063 0.000 0.761 209 P CB 0.217 31.929 31.700 0.020 0.000 0.794 210 Q N 3.534 123.368 119.800 0.057 0.000 2.263 210 Q HA 0.322 4.596 4.340 -0.110 0.000 0.266 210 Q C -2.543 173.409 176.000 -0.079 0.000 1.002 210 Q CA -1.891 53.864 55.803 -0.078 0.000 0.790 210 Q CB 2.082 30.659 28.738 -0.269 0.000 1.272 210 Q HN 0.347 8.617 8.270 -0.000 0.000 0.435 211 P HA 0.385 4.805 4.420 -0.000 0.000 0.286 211 P C -0.559 176.718 177.300 -0.039 0.000 1.321 211 P CA -0.033 63.062 63.100 -0.009 0.000 0.790 211 P CB 0.652 32.360 31.700 0.014 0.000 0.897 212 I N 2.209 122.762 120.570 -0.028 0.000 2.608 212 I HA 0.547 4.651 4.170 -0.110 0.000 0.295 212 I C 0.643 176.729 176.117 -0.052 0.000 1.049 212 I CA -0.840 60.421 61.300 -0.064 0.000 1.063 212 I CB 2.664 40.617 38.000 -0.078 0.000 1.248 212 I HN 0.303 8.513 8.210 -0.000 0.000 0.424 213 G N 3.884 112.559 108.800 -0.210 0.000 2.432 213 G HA2 0.657 4.551 3.960 -0.110 0.000 0.331 213 G HA3 0.657 4.551 3.960 -0.110 0.000 0.331 213 G C -1.247 173.450 174.900 -0.337 0.000 1.170 213 G CA -0.450 44.407 45.100 -0.405 0.000 0.943 213 G HN 0.320 8.610 8.290 -0.000 0.000 0.483 214 V N 1.703 121.500 119.914 -0.194 0.000 2.380 214 V HA 0.334 4.388 4.120 -0.110 0.000 0.286 214 V C -0.296 175.785 176.094 -0.022 0.000 1.015 214 V CA -0.634 61.620 62.300 -0.076 0.000 0.834 214 V CB 1.320 33.161 31.823 0.030 0.000 1.009 214 V HN 0.535 8.725 8.190 -0.000 0.000 0.428 215 V N 3.821 123.710 119.914 -0.042 0.000 2.394 215 V HA 0.442 4.496 4.120 -0.110 0.000 0.282 215 V C 0.467 176.618 176.094 0.095 0.000 1.031 215 V CA -0.231 62.115 62.300 0.076 0.000 0.881 215 V CB 1.892 33.759 31.823 0.073 0.000 0.982 215 V HN 0.855 9.045 8.190 -0.000 0.000 0.451 216 T N 6.281 120.932 114.554 0.161 0.000 2.799 216 T HA 0.506 4.790 4.350 -0.110 0.000 0.286 216 T C -0.051 174.778 174.700 0.216 0.000 0.973 216 T CA -0.287 61.904 62.100 0.152 0.000 1.035 216 T CB 0.722 69.683 68.868 0.154 0.000 0.932 216 T HN 0.280 8.520 8.240 -0.000 0.000 0.469 217 I N 5.043 125.616 120.570 0.005 0.000 2.395 217 I HA 0.373 4.477 4.170 -0.110 0.000 0.289 217 I C -0.236 175.844 176.117 -0.061 0.000 1.023 217 I CA -0.582 60.585 61.300 -0.222 0.000 1.350 217 I CB 0.091 37.722 38.000 -0.615 0.000 1.409 217 I HN 0.715 8.925 8.210 -0.000 0.000 0.507 218 Y N 4.378 124.648 120.300 -0.049 0.000 2.609 218 Y HA 0.623 5.103 4.550 -0.117 0.000 0.336 218 Y C -3.060 172.936 175.900 0.159 0.000 1.129 218 Y CA -3.274 54.919 58.100 0.156 0.000 1.040 218 Y CB 0.189 38.711 38.460 0.103 0.000 1.310 218 Y HN 0.299 8.579 8.280 -0.000 0.000 0.460 219 P HA 0.265 4.685 4.420 -0.000 0.000 0.262 219 P C 0.704 178.044 177.300 0.066 0.000 1.199 219 P CA 2.217 65.385 63.100 0.114 0.000 0.763 219 P CB 0.551 32.317 31.700 0.109 0.000 0.790 220 G N 3.130 111.902 108.800 -0.046 0.000 2.157 220 G HA2 -0.247 3.647 3.960 -0.110 0.000 0.239 220 G HA3 -0.247 3.647 3.960 -0.110 0.000 0.239 220 G C 0.186 175.008 174.900 -0.131 0.000 0.982 220 G CA -0.354 44.729 45.100 -0.029 0.000 0.650 220 G HN 0.615 8.905 8.290 -0.000 0.000 0.527 221 I N 2.389 122.702 120.570 -0.429 0.000 2.588 221 I HA 0.491 4.595 4.170 -0.110 0.000 0.283 221 I C 0.904 176.965 176.117 -0.093 0.000 1.119 221 I CA 0.335 61.355 61.300 -0.468 0.000 1.419 221 I CB 0.862 38.410 38.000 -0.753 0.000 1.394 221 I HN 0.422 8.632 8.210 -0.000 0.000 0.562 222 S N 5.578 121.306 115.700 0.047 0.000 2.638 222 S HA 0.580 4.984 4.470 -0.110 0.000 0.298 222 S C 0.839 175.554 174.600 0.190 0.000 1.111 222 S CA -0.260 58.011 58.200 0.119 0.000 1.027 222 S CB 1.772 65.016 63.200 0.073 0.000 1.064 222 S HN 0.814 9.124 8.310 -0.000 0.000 0.525 223 A N 0.930 123.847 122.820 0.162 0.000 2.076 223 A HA -0.087 4.167 4.320 -0.110 0.000 0.220 223 A C 1.556 179.116 177.584 -0.039 0.000 1.160 223 A CA 1.717 53.765 52.037 0.018 0.000 0.653 223 A CB -1.088 17.919 19.000 0.011 0.000 0.801 223 A HN 0.868 9.018 8.150 -0.000 0.000 0.455 224 D N -0.030 120.375 120.400 0.008 0.000 2.158 224 D HA -0.136 4.438 4.640 -0.110 0.000 0.197 224 D C 2.026 178.313 176.300 -0.020 0.000 0.995 224 D CA 1.458 55.452 54.000 -0.010 0.000 0.846 224 D CB -0.509 40.293 40.800 0.004 0.000 0.941 224 D HN 0.271 8.642 8.370 -0.000 0.000 0.456 225 V N 0.666 120.594 119.914 0.023 0.000 2.231 225 V HA -0.262 3.792 4.120 -0.110 0.000 0.248 225 V C 2.696 178.849 176.094 0.098 0.000 1.054 225 V CA 1.418 63.755 62.300 0.062 0.000 1.015 225 V CB -0.772 31.161 31.823 0.183 0.000 0.638 225 V HN 0.073 8.263 8.190 -0.000 0.000 0.444 226 V N 0.140 120.066 119.914 0.021 0.000 2.287 226 V HA -0.312 3.742 4.120 -0.110 0.000 0.248 226 V C 2.578 178.685 176.094 0.023 0.000 1.053 226 V CA 2.531 64.833 62.300 0.003 0.000 1.027 226 V CB -0.905 30.725 31.823 -0.322 0.000 0.646 226 V HN 0.524 8.714 8.190 -0.000 0.000 0.447 227 R N 0.353 120.823 120.500 -0.050 0.000 2.103 227 R HA -0.217 4.057 4.340 -0.110 0.000 0.242 227 R C 2.240 178.517 176.300 -0.039 0.000 1.142 227 R CA 2.063 58.138 56.100 -0.042 0.000 0.960 227 R CB -0.344 29.926 30.300 -0.049 0.000 0.858 227 R HN 0.560 8.830 8.270 -0.000 0.000 0.439 228 N N 0.075 118.724 118.700 -0.085 0.000 2.043 228 N HA -0.180 4.494 4.740 -0.110 0.000 0.193 228 N C 1.640 177.047 175.510 -0.173 0.000 1.037 228 N CA 1.521 54.467 53.050 -0.173 0.000 0.851 228 N CB -0.475 37.828 38.487 -0.306 0.000 1.027 228 N HN 0.167 8.547 8.380 -0.000 0.000 0.422 229 F N 1.331 121.260 119.950 -0.035 0.000 2.161 229 F HA -0.062 4.460 4.527 -0.009 0.000 0.300 229 F C 2.077 177.854 175.800 -0.037 0.000 1.089 229 F CA 0.501 58.481 58.000 -0.033 0.000 1.282 229 F CB -0.368 38.610 39.000 -0.036 0.000 1.010 229 F HN 0.043 8.343 8.300 -0.000 0.000 0.485 230 L N 0.202 121.496 121.223 0.119 0.000 2.633 230 L HA -0.158 4.116 4.340 -0.110 0.000 0.235 230 L C 2.635 179.518 176.870 0.021 0.000 1.163 230 L CA 1.351 56.221 54.840 0.050 0.000 0.859 230 L CB -1.944 40.123 42.059 0.015 0.000 0.973 230 L HN 0.208 8.438 8.230 -0.000 0.000 0.451 231 R N 0.403 120.908 120.500 0.007 0.000 2.127 231 R HA -0.140 4.134 4.340 -0.110 0.000 0.228 231 R C 2.019 178.318 176.300 -0.001 0.000 1.125 231 R CA 3.076 59.169 56.100 -0.012 0.000 0.904 231 R CB -0.944 29.333 30.300 -0.038 0.000 0.831 231 R HN 0.487 8.757 8.270 -0.000 0.000 0.431 232 Q N -2.244 117.561 119.800 0.010 0.000 1.917 232 Q HA 0.175 4.449 4.340 -0.110 0.000 0.188 232 Q C -1.635 174.378 176.000 0.022 0.000 0.674 232 Q CA 0.219 56.029 55.803 0.010 0.000 0.789 232 Q CB -0.334 28.404 28.738 0.000 0.000 1.231 232 Q HN 0.654 8.924 8.270 -0.000 0.000 0.408 233 P HA 0.629 5.049 4.420 -0.000 0.000 0.214 233 P C -1.085 176.267 177.300 0.086 0.000 1.849 233 P CA -0.204 62.926 63.100 0.051 0.000 1.022 233 P CB 0.381 32.110 31.700 0.048 0.000 1.912 234 V N 2.264 122.213 119.914 0.057 0.000 2.851 234 V HA 0.189 4.242 4.120 -0.110 0.000 0.290 234 V C 0.095 176.187 176.094 -0.003 0.000 1.330 234 V CA -0.453 61.874 62.300 0.044 0.000 0.944 234 V CB 2.251 34.133 31.823 0.099 0.000 1.090 234 V HN 0.166 8.356 8.190 -0.000 0.000 0.436 235 K N 4.121 124.499 120.400 -0.036 0.000 2.391 235 K HA 0.736 4.989 4.320 -0.110 0.000 0.197 235 K C 0.163 176.720 176.600 -0.071 0.000 1.087 235 K CA 0.755 57.010 56.287 -0.053 0.000 1.012 235 K CB 1.759 34.220 32.500 -0.065 0.000 0.925 235 K HN 0.834 9.084 8.250 -0.000 0.000 0.547 236 A N 1.114 123.881 122.820 -0.089 0.000 2.604 236 A HA 0.652 4.906 4.320 -0.110 0.000 0.295 236 A C -2.202 175.295 177.584 -0.145 0.000 1.067 236 A CA -0.667 51.307 52.037 -0.104 0.000 0.683 236 A CB 1.518 20.454 19.000 -0.107 0.000 1.281 236 A HN 0.053 8.203 8.150 -0.000 0.000 0.407 237 L N 1.573 122.705 121.223 -0.152 0.000 2.438 237 L HA 0.722 4.996 4.340 -0.110 0.000 0.270 237 L C -1.422 175.359 176.870 -0.149 0.000 0.972 237 L CA -0.190 54.516 54.840 -0.222 0.000 0.831 237 L CB 1.447 43.358 42.059 -0.247 0.000 1.273 237 L HN 0.628 8.858 8.230 -0.000 0.000 0.405 238 I N 5.742 126.227 120.570 -0.142 0.000 2.336 238 I HA 0.383 4.487 4.170 -0.110 0.000 0.292 238 I C -0.728 175.350 176.117 -0.065 0.000 0.991 238 I CA -0.558 60.697 61.300 -0.075 0.000 1.227 238 I CB 1.373 39.352 38.000 -0.035 0.000 1.366 238 I HN 0.431 8.641 8.210 -0.000 0.000 0.466 239 L N 6.920 128.120 121.223 -0.037 0.000 2.296 239 L HA 0.515 4.789 4.340 -0.110 0.000 0.286 239 L C -0.006 176.851 176.870 -0.021 0.000 1.023 239 L CA -0.692 54.138 54.840 -0.017 0.000 0.812 239 L CB 1.198 43.258 42.059 0.002 0.000 1.223 239 L HN 0.507 8.737 8.230 -0.000 0.000 0.421 240 R N 2.247 122.736 120.500 -0.018 0.000 2.369 240 R HA 0.251 4.525 4.340 -0.110 0.000 0.310 240 R C 0.030 176.281 176.300 -0.082 0.000 1.141 240 R CA -0.253 55.834 56.100 -0.023 0.000 1.116 240 R CB 0.995 31.299 30.300 0.008 0.000 1.135 240 R HN 0.747 9.017 8.270 -0.000 0.000 0.529 241 S N 1.614 117.250 115.700 -0.106 0.000 2.713 241 S HA 0.345 4.749 4.470 -0.110 0.000 0.277 241 S C 0.019 174.543 174.600 -0.127 0.000 1.168 241 S CA -0.757 57.308 58.200 -0.225 0.000 0.994 241 S CB 0.545 63.643 63.200 -0.169 0.000 1.054 241 S HN 0.398 8.708 8.310 -0.000 0.000 0.555 242 Y N 0.786 121.076 120.300 -0.016 0.000 2.336 242 Y HA 0.459 4.944 4.550 -0.107 0.000 0.331 242 Y C 1.975 177.867 175.900 -0.015 0.000 1.211 242 Y CA 0.135 58.226 58.100 -0.014 0.000 1.346 242 Y CB -0.135 38.311 38.460 -0.024 0.000 1.271 242 Y HN 1.191 9.471 8.280 -0.000 0.000 0.538 243 G N 1.011 109.911 108.800 0.167 0.000 2.698 243 G HA2 -0.409 3.485 3.960 -0.110 0.000 0.346 243 G HA3 -0.409 3.485 3.960 -0.110 0.000 0.346 243 G C 0.745 175.677 174.900 0.054 0.000 1.287 243 G CA 1.170 46.318 45.100 0.081 0.000 0.990 243 G HN 1.224 9.514 8.290 -0.000 0.000 0.545 244 V N -1.183 118.754 119.914 0.039 0.000 3.478 244 V HA 0.568 4.622 4.120 -0.110 0.000 0.323 244 V C 1.522 177.627 176.094 0.018 0.000 1.241 244 V CA 0.880 63.193 62.300 0.023 0.000 1.274 244 V CB -0.549 31.282 31.823 0.014 0.000 1.115 244 V HN 2.739 10.929 8.190 -0.000 0.000 0.424 245 G N 0.308 109.123 108.800 0.025 0.000 2.181 245 G HA2 -0.186 3.708 3.960 -0.110 0.000 0.152 245 G HA3 -0.186 3.708 3.960 -0.110 0.000 0.152 245 G C -0.329 174.570 174.900 -0.001 0.000 1.026 245 G CA -0.139 44.963 45.100 0.004 0.000 0.699 245 G HN 0.588 8.878 8.290 -0.000 0.000 0.497 246 N N 0.348 119.069 118.700 0.035 0.000 2.492 246 N HA 0.823 5.497 4.740 -0.110 0.000 0.289 246 N C 0.146 175.656 175.510 0.002 0.000 1.133 246 N CA 0.507 53.583 53.050 0.043 0.000 0.961 246 N CB 2.055 40.600 38.487 0.097 0.000 1.186 246 N HN 0.954 9.334 8.380 -0.000 0.000 0.493 247 A N 0.875 123.668 122.820 -0.044 0.000 2.594 247 A HA 0.658 4.912 4.320 -0.110 0.000 0.291 247 A C -2.663 174.850 177.584 -0.119 0.000 1.105 247 A CA -1.113 50.815 52.037 -0.181 0.000 0.694 247 A CB 0.847 19.667 19.000 -0.300 0.000 1.291 247 A HN 0.490 8.640 8.150 -0.000 0.000 0.410 248 P HA 0.098 4.518 4.420 -0.000 0.000 0.268 248 P C -0.296 176.921 177.300 -0.138 0.000 1.208 248 P CA 0.266 63.285 63.100 -0.136 0.000 0.777 248 P CB 0.681 32.266 31.700 -0.191 0.000 0.875 249 Q N 0.632 120.393 119.800 -0.065 0.000 2.444 249 Q HA 0.004 4.278 4.340 -0.110 0.000 0.206 249 Q C 0.677 176.674 176.000 -0.005 0.000 0.948 249 Q CA 0.019 55.805 55.803 -0.028 0.000 0.946 249 Q CB -0.814 27.918 28.738 -0.011 0.000 1.027 249 Q HN 0.395 8.665 8.270 -0.000 0.000 0.513 250 N N 1.383 120.070 118.700 -0.022 0.000 2.276 250 N HA -0.157 4.517 4.740 -0.110 0.000 0.279 250 N C 0.254 175.818 175.510 0.090 0.000 1.379 250 N CA 0.570 53.637 53.050 0.029 0.000 0.886 250 N CB 0.500 39.003 38.487 0.027 0.000 1.199 250 N HN 0.263 8.643 8.380 -0.000 0.000 0.493 251 K N 3.287 123.727 120.400 0.068 0.000 2.103 251 K HA -0.182 4.072 4.320 -0.110 0.000 0.207 251 K C 1.798 178.449 176.600 0.085 0.000 1.048 251 K CA 1.656 57.986 56.287 0.071 0.000 0.930 251 K CB -0.137 32.391 32.500 0.046 0.000 0.716 251 K HN 0.636 8.886 8.250 -0.000 0.000 0.444 252 A N 1.399 124.271 122.820 0.085 0.000 1.902 252 A HA -0.181 4.073 4.320 -0.110 0.000 0.217 252 A C 2.019 179.659 177.584 0.093 0.000 1.181 252 A CA 1.206 53.286 52.037 0.072 0.000 0.623 252 A CB -0.682 18.356 19.000 0.064 0.000 0.818 252 A HN 0.333 8.483 8.150 -0.000 0.000 0.443 253 F N 0.673 120.618 119.950 -0.008 0.000 2.102 253 F HA -0.133 4.334 4.527 -0.100 0.000 0.298 253 F C 1.952 177.747 175.800 -0.008 0.000 1.105 253 F CA 1.728 59.721 58.000 -0.013 0.000 1.239 253 F CB -0.295 38.688 39.000 -0.028 0.000 0.991 253 F HN 0.136 8.436 8.300 -0.000 0.000 0.474 254 L N -0.148 121.254 121.223 0.299 0.000 2.079 254 L HA -0.266 4.008 4.340 -0.110 0.000 0.210 254 L C 2.459 179.363 176.870 0.056 0.000 1.081 254 L CA 1.527 56.477 54.840 0.183 0.000 0.752 254 L CB -0.921 41.223 42.059 0.142 0.000 0.896 254 L HN 0.264 8.494 8.230 -0.000 0.000 0.433 255 Q N -0.485 119.336 119.800 0.034 0.000 2.119 255 Q HA -0.183 4.091 4.340 -0.110 0.000 0.201 255 Q C 2.150 178.127 176.000 -0.037 0.000 0.972 255 Q CA 1.005 56.810 55.803 0.003 0.000 0.847 255 Q CB -0.017 28.726 28.738 0.008 0.000 0.903 255 Q HN 0.427 8.697 8.270 -0.000 0.000 0.433 256 E N 0.833 120.980 120.200 -0.089 0.000 2.072 256 E HA -0.128 4.156 4.350 -0.110 0.000 0.191 256 E C 2.109 178.629 176.600 -0.135 0.000 0.985 256 E CA 0.808 57.129 56.400 -0.132 0.000 0.801 256 E CB -0.133 29.435 29.700 -0.221 0.000 0.750 256 E HN 0.386 8.746 8.360 -0.000 0.000 0.452 257 L N 0.464 121.590 121.223 -0.161 0.000 2.046 257 L HA -0.224 4.050 4.340 -0.110 0.000 0.208 257 L C 2.761 179.603 176.870 -0.047 0.000 1.077 257 L CA 1.268 56.044 54.840 -0.108 0.000 0.747 257 L CB -0.426 41.596 42.059 -0.061 0.000 0.896 257 L HN 0.137 8.367 8.230 -0.000 0.000 0.432 258 Q N 0.583 120.369 119.800 -0.023 0.000 2.050 258 Q HA -0.280 3.994 4.340 -0.110 0.000 0.202 258 Q C 2.088 178.079 176.000 -0.016 0.000 0.980 258 Q CA 2.037 57.836 55.803 -0.006 0.000 0.840 258 Q CB -0.079 28.664 28.738 0.008 0.000 0.898 258 Q HN 0.433 8.703 8.270 -0.000 0.000 0.424 259 E N -0.944 119.241 120.200 -0.025 0.000 2.110 259 E HA -0.206 4.077 4.350 -0.110 0.000 0.193 259 E C 1.740 178.325 176.600 -0.026 0.000 0.988 259 E CA 0.973 57.359 56.400 -0.024 0.000 0.804 259 E CB -0.235 29.449 29.700 -0.027 0.000 0.745 259 E HN 0.479 8.839 8.360 -0.000 0.000 0.458 260 A N 0.396 123.194 122.820 -0.035 0.000 1.877 260 A HA -0.170 4.084 4.320 -0.110 0.000 0.216 260 A C 2.375 179.943 177.584 -0.028 0.000 1.186 260 A CA 1.870 53.887 52.037 -0.033 0.000 0.620 260 A CB -0.597 18.375 19.000 -0.047 0.000 0.822 260 A HN 0.283 8.433 8.150 -0.000 0.000 0.443 261 S N 0.061 115.745 115.700 -0.026 0.000 2.402 261 S HA -0.115 4.289 4.470 -0.110 0.000 0.229 261 S C 1.477 176.067 174.600 -0.017 0.000 1.021 261 S CA 1.154 59.342 58.200 -0.021 0.000 0.974 261 S CB -0.368 62.824 63.200 -0.014 0.000 0.800 261 S HN 0.584 8.894 8.310 -0.000 0.000 0.484 262 D N 1.255 121.647 120.400 -0.015 0.000 2.263 262 D HA -0.036 4.538 4.640 -0.110 0.000 0.208 262 D C 1.486 177.777 176.300 -0.014 0.000 0.971 262 D CA 0.744 54.736 54.000 -0.013 0.000 0.867 262 D CB -0.116 40.678 40.800 -0.011 0.000 0.929 262 D HN 0.348 8.718 8.370 -0.000 0.000 0.492 263 R N -0.330 120.160 120.500 -0.016 0.000 2.335 263 R HA 0.203 4.477 4.340 -0.110 0.000 0.223 263 R C 1.163 177.452 176.300 -0.018 0.000 0.940 263 R CA 0.395 56.486 56.100 -0.015 0.000 1.086 263 R CB 0.395 30.687 30.300 -0.014 0.000 1.073 263 R HN 0.089 8.359 8.270 -0.000 0.000 0.504 264 G N 1.340 110.128 108.800 -0.020 0.000 2.159 264 G HA2 -0.273 3.621 3.960 -0.110 0.000 0.256 264 G HA3 -0.273 3.621 3.960 -0.110 0.000 0.256 264 G C 0.204 175.086 174.900 -0.030 0.000 0.977 264 G CA -0.302 44.783 45.100 -0.024 0.000 0.652 264 G HN 0.264 8.554 8.290 -0.000 0.000 0.531 265 I N 1.233 121.785 120.570 -0.030 0.000 2.441 265 I HA 0.269 4.373 4.170 -0.110 0.000 0.287 265 I C 0.860 176.950 176.117 -0.045 0.000 1.049 265 I CA -0.673 60.603 61.300 -0.039 0.000 1.381 265 I CB 1.461 39.439 38.000 -0.037 0.000 1.409 265 I HN -0.120 8.090 8.210 -0.000 0.000 0.523 266 V N 7.863 127.745 119.914 -0.054 0.000 2.389 266 V HA 0.114 4.168 4.120 -0.110 0.000 0.264 266 V C 0.205 176.262 176.094 -0.061 0.000 1.049 266 V CA -0.408 61.860 62.300 -0.054 0.000 0.932 266 V CB 0.845 32.632 31.823 -0.060 0.000 1.011 266 V HN 0.380 8.570 8.190 -0.000 0.000 0.475 267 V N 6.411 126.295 119.914 -0.050 0.000 2.347 267 V HA 0.420 4.474 4.120 -0.110 0.000 0.280 267 V C 0.018 176.089 176.094 -0.038 0.000 1.021 267 V CA -0.468 61.800 62.300 -0.052 0.000 0.847 267 V CB 1.609 33.406 31.823 -0.044 0.000 0.990 267 V HN 0.590 8.780 8.190 -0.000 0.000 0.444 268 V N 4.079 123.968 119.914 -0.042 0.000 2.513 268 V HA 0.461 4.515 4.120 -0.110 0.000 0.299 268 V C -0.116 175.964 176.094 -0.024 0.000 1.035 268 V CA -0.753 61.529 62.300 -0.030 0.000 0.889 268 V CB 2.046 33.850 31.823 -0.031 0.000 0.988 268 V HN 0.870 9.060 8.190 -0.000 0.000 0.440 269 N N 4.199 122.889 118.700 -0.016 0.000 2.425 269 N HA 0.628 5.302 4.740 -0.110 0.000 0.268 269 N C -1.097 174.405 175.510 -0.013 0.000 0.991 269 N CA -0.196 52.845 53.050 -0.015 0.000 0.931 269 N CB 0.764 39.243 38.487 -0.013 0.000 1.130 269 N HN 0.632 9.012 8.380 -0.000 0.000 0.493 270 L N 0.509 121.723 121.223 -0.015 0.000 2.279 270 L HA 0.559 4.833 4.340 -0.110 0.000 0.262 270 L C 0.520 177.384 176.870 -0.011 0.000 1.019 270 L CA -1.091 53.743 54.840 -0.010 0.000 0.823 270 L CB 1.933 43.988 42.059 -0.006 0.000 1.358 270 L HN 0.364 8.594 8.230 -0.000 0.000 0.432 271 T N -0.735 113.818 114.554 -0.003 0.000 2.882 271 T HA 0.154 4.438 4.350 -0.110 0.000 0.287 271 T C 0.638 175.343 174.700 0.007 0.000 0.992 271 T CA -0.433 61.670 62.100 0.006 0.000 1.076 271 T CB 1.207 70.084 68.868 0.014 0.000 0.961 271 T HN 0.751 8.991 8.240 -0.000 0.000 0.490 272 Q N 2.127 121.939 119.800 0.020 0.000 2.451 272 Q HA 0.117 4.391 4.340 -0.110 0.000 0.206 272 Q C 0.417 176.433 176.000 0.026 0.000 0.947 272 Q CA 0.073 55.892 55.803 0.026 0.000 0.937 272 Q CB -0.279 28.487 28.738 0.047 0.000 1.025 272 Q HN 0.536 8.806 8.270 -0.000 0.000 0.511 273 C N 1.238 120.555 119.300 0.028 0.000 2.657 273 C HA 0.123 4.516 4.460 -0.110 0.000 0.404 273 C C 1.765 176.752 174.990 -0.006 0.000 1.291 273 C CA -0.640 58.388 59.018 0.016 0.000 2.218 273 C CB 0.477 28.230 27.740 0.021 0.000 2.687 273 C HN 0.632 8.862 8.230 -0.000 0.000 0.634 274 M N 2.728 122.317 119.600 -0.018 0.000 2.080 274 M HA -0.073 4.341 4.480 -0.110 0.000 0.260 274 M C 1.078 177.358 176.300 -0.034 0.000 1.068 274 M CA 1.775 57.051 55.300 -0.039 0.000 1.109 274 M CB -0.287 32.284 32.600 -0.049 0.000 1.342 274 M HN 0.892 9.182 8.290 -0.000 0.000 0.405 275 S N -1.227 114.462 115.700 -0.019 0.000 2.599 275 S HA 0.864 5.267 4.470 -0.110 0.000 0.294 275 S C -0.154 174.443 174.600 -0.004 0.000 1.094 275 S CA -0.234 57.958 58.200 -0.013 0.000 0.931 275 S CB 1.723 64.917 63.200 -0.009 0.000 1.093 275 S HN 0.960 9.270 8.310 -0.000 0.000 0.488 276 G N 0.514 109.313 108.800 -0.002 0.000 2.326 276 G HA2 0.299 4.193 3.960 -0.110 0.000 0.413 276 G HA3 0.299 4.193 3.960 -0.110 0.000 0.413 276 G C -1.851 173.051 174.900 0.003 0.000 1.444 276 G CA -0.911 44.191 45.100 0.003 0.000 1.002 276 G HN 0.821 9.111 8.290 -0.000 0.000 0.649 277 K N 0.327 120.730 120.400 0.006 0.000 2.345 277 K HA 0.668 4.922 4.320 -0.110 0.000 0.255 277 K C -0.049 176.554 176.600 0.006 0.000 0.934 277 K CA -0.786 55.504 56.287 0.006 0.000 0.801 277 K CB 2.099 34.602 32.500 0.006 0.000 1.137 277 K HN 0.485 8.735 8.250 -0.000 0.000 0.424 278 V N 4.142 124.058 119.914 0.005 0.000 2.572 278 V HA 0.053 4.107 4.120 -0.110 0.000 0.291 278 V C 0.063 176.159 176.094 0.002 0.000 1.039 278 V CA 0.188 62.490 62.300 0.003 0.000 1.055 278 V CB 0.647 32.470 31.823 -0.000 0.000 0.969 278 V HN 0.882 9.072 8.190 -0.000 0.000 0.482 279 N N 5.255 123.955 118.700 0.001 0.000 2.675 279 N HA 0.407 5.081 4.740 -0.110 0.000 0.254 279 N C -0.410 175.096 175.510 -0.006 0.000 1.224 279 N CA -0.589 52.461 53.050 -0.001 0.000 0.777 279 N CB 0.639 39.127 38.487 0.002 0.000 1.256 279 N HN 0.588 8.968 8.380 -0.000 0.000 0.531 287 N N 1.364 119.924 118.700 -0.233 0.000 2.538 287 N HA 0.397 5.071 4.740 -0.110 0.000 0.291 287 N C 1.896 176.993 175.510 -0.687 0.000 1.323 287 N CA 0.217 53.005 53.050 -0.437 0.000 0.934 287 N CB 0.314 38.512 38.487 -0.482 0.000 1.255 287 N HN 0.534 8.914 8.380 -0.000 0.000 0.509 288 A N 0.736 123.371 122.820 -0.308 0.000 1.859 288 A HA -0.219 4.035 4.320 -0.110 0.000 0.218 288 A C 1.960 179.497 177.584 -0.079 0.000 1.209 288 A CA 1.255 53.216 52.037 -0.126 0.000 0.639 288 A CB -0.795 18.192 19.000 -0.021 0.000 0.835 288 A HN 0.461 8.611 8.150 -0.000 0.000 0.450 289 L N -1.017 120.169 121.223 -0.061 0.000 2.010 289 L HA -0.328 3.946 4.340 -0.110 0.000 0.219 289 L C 3.116 179.977 176.870 -0.015 0.000 1.077 289 L CA 1.612 56.444 54.840 -0.014 0.000 0.773 289 L CB -0.710 41.339 42.059 -0.016 0.000 0.892 289 L HN 0.514 8.744 8.230 -0.000 0.000 0.436 290 A N -1.010 121.769 122.820 -0.069 0.000 1.940 290 A HA -0.239 4.015 4.320 -0.110 0.000 0.219 290 A C 1.943 179.583 177.584 0.093 0.000 1.176 290 A CA 1.700 53.726 52.037 -0.018 0.000 0.631 290 A CB -0.984 17.984 19.000 -0.053 0.000 0.814 290 A HN 0.582 8.732 8.150 -0.000 0.000 0.446 291 H N -1.243 117.834 119.070 0.011 0.000 2.495 291 H HA 0.175 4.665 4.556 -0.111 0.000 0.287 291 H C 2.042 177.376 175.328 0.009 0.000 1.033 291 H CA 0.296 56.349 56.048 0.009 0.000 1.307 291 H CB 0.118 29.887 29.762 0.011 0.000 1.401 291 H HN 0.561 8.841 8.280 -0.000 0.000 0.555 292 A N 0.351 123.246 122.820 0.125 0.000 2.251 292 A HA 0.290 4.544 4.320 -0.110 0.000 0.209 292 A C 1.908 179.519 177.584 0.045 0.000 1.187 292 A CA 0.760 52.841 52.037 0.073 0.000 0.823 292 A CB -0.279 18.760 19.000 0.064 0.000 0.846 292 A HN 0.525 8.675 8.150 -0.000 0.000 0.486 293 G N -1.610 107.220 108.800 0.049 0.000 2.175 293 G HA2 -0.202 3.692 3.960 -0.110 0.000 0.244 293 G HA3 -0.202 3.692 3.960 -0.110 0.000 0.244 293 G C 0.183 175.091 174.900 0.014 0.000 0.982 293 G CA 0.054 45.170 45.100 0.027 0.000 0.641 293 G HN 0.751 9.041 8.290 -0.000 0.000 0.527 294 V N 2.680 122.604 119.914 0.016 0.000 2.614 294 V HA 0.402 4.456 4.120 -0.110 0.000 0.291 294 V C 0.965 177.060 176.094 0.002 0.000 1.049 294 V CA -0.430 61.873 62.300 0.005 0.000 1.038 294 V CB 1.287 33.117 31.823 0.010 0.000 0.980 294 V HN 0.252 8.442 8.190 -0.000 0.000 0.481 295 I N 3.727 124.293 120.570 -0.006 0.000 2.385 295 I HA 0.399 4.503 4.170 -0.110 0.000 0.294 295 I C 0.918 177.031 176.117 -0.007 0.000 0.988 295 I CA 0.027 61.323 61.300 -0.006 0.000 1.265 295 I CB 1.189 39.182 38.000 -0.011 0.000 1.388 295 I HN 0.702 8.912 8.210 -0.000 0.000 0.480 296 G N 3.330 112.128 108.800 -0.004 0.000 2.370 296 G HA2 0.397 4.291 3.960 -0.110 0.000 0.272 296 G HA3 0.397 4.291 3.960 -0.110 0.000 0.272 296 G C 0.680 175.578 174.900 -0.003 0.000 1.208 296 G CA -0.422 44.675 45.100 -0.004 0.000 0.856 296 G HN 0.888 9.178 8.290 -0.000 0.000 0.500 297 G N 0.847 109.645 108.800 -0.003 0.000 3.371 297 G HA2 0.530 4.424 3.960 -0.110 0.000 0.248 297 G HA3 0.530 4.424 3.960 -0.110 0.000 0.248 297 G C 1.154 176.057 174.900 0.005 0.000 1.161 297 G CA 0.993 46.093 45.100 -0.000 0.000 0.796 297 G HN 1.688 9.978 8.290 -0.000 0.000 0.539 298 A N 1.611 124.434 122.820 0.005 0.000 5.391 298 A HA -0.291 3.963 4.320 -0.110 0.000 0.315 298 A C 1.449 179.037 177.584 0.006 0.000 1.874 298 A CA 1.770 53.812 52.037 0.008 0.000 0.714 298 A CB -1.272 17.735 19.000 0.013 0.000 1.335 298 A HN 0.792 8.942 8.150 -0.000 0.000 0.382 299 D N -0.232 120.173 120.400 0.008 0.000 2.427 299 D HA 0.397 4.971 4.640 -0.110 0.000 0.224 299 D C 0.514 176.815 176.300 0.002 0.000 1.157 299 D CA 0.057 54.059 54.000 0.004 0.000 0.828 299 D CB -0.555 40.247 40.800 0.003 0.000 0.974 299 D HN 0.587 8.957 8.370 -0.000 0.000 0.498 300 M N 1.208 120.812 119.600 0.007 0.000 2.248 300 M HA 0.117 4.531 4.480 -0.110 0.000 0.337 300 M C 0.812 177.108 176.300 -0.006 0.000 1.121 300 M CA 0.098 55.404 55.300 0.010 0.000 1.155 300 M CB 0.972 33.588 32.600 0.026 0.000 1.514 300 M HN 0.023 8.313 8.290 -0.000 0.000 0.452 301 T N -0.717 113.825 114.554 -0.020 0.000 2.788 301 T HA 0.218 4.501 4.350 -0.110 0.000 0.287 301 T C 1.111 175.790 174.700 -0.034 0.000 1.007 301 T CA -1.099 60.973 62.100 -0.047 0.000 1.005 301 T CB 0.890 69.704 68.868 -0.089 0.000 1.012 301 T HN 0.438 8.678 8.240 -0.000 0.000 0.530 302 V N 1.270 121.159 119.914 -0.042 0.000 2.427 302 V HA -0.096 3.958 4.120 -0.110 0.000 0.248 302 V C 2.718 178.811 176.094 -0.002 0.000 1.051 302 V CA 1.894 64.195 62.300 0.002 0.000 1.048 302 V CB -1.088 30.755 31.823 0.033 0.000 0.666 302 V HN 0.868 9.058 8.190 -0.000 0.000 0.456 303 E N 0.793 120.899 120.200 -0.157 0.000 2.058 303 E HA -0.195 4.089 4.350 -0.110 0.000 0.194 303 E C 2.261 178.818 176.600 -0.071 0.000 0.997 303 E CA 1.695 57.918 56.400 -0.295 0.000 0.801 303 E CB -0.584 28.775 29.700 -0.568 0.000 0.746 303 E HN 0.587 8.947 8.360 -0.000 0.000 0.450 304 A N 0.077 122.881 122.820 -0.027 0.000 1.929 304 A HA -0.132 4.122 4.320 -0.110 0.000 0.216 304 A C 2.324 179.975 177.584 0.113 0.000 1.176 304 A CA 1.789 53.895 52.037 0.115 0.000 0.628 304 A CB -0.790 18.280 19.000 0.117 0.000 0.816 304 A HN 0.250 8.400 8.150 -0.000 0.000 0.444 305 T N 0.187 114.771 114.554 0.050 0.000 2.737 305 T HA -0.119 4.165 4.350 -0.110 0.000 0.265 305 T C 1.855 176.575 174.700 0.033 0.000 1.038 305 T CA 1.491 63.602 62.100 0.017 0.000 1.144 305 T CB -0.370 68.508 68.868 0.015 0.000 0.866 305 T HN 0.316 8.556 8.240 -0.000 0.000 0.434 306 L N 1.776 123.066 121.223 0.112 0.000 2.017 306 L HA -0.115 4.159 4.340 -0.110 0.000 0.208 306 L C 2.707 179.755 176.870 0.297 0.000 1.073 306 L CA 2.292 57.265 54.840 0.222 0.000 0.745 306 L CB -1.182 41.081 42.059 0.340 0.000 0.894 306 L HN 0.435 8.665 8.230 -0.000 0.000 0.432 307 T N -3.330 111.328 114.554 0.172 0.000 2.904 307 T HA -0.207 4.077 4.350 -0.110 0.000 0.267 307 T C 1.972 176.662 174.700 -0.017 0.000 1.059 307 T CA 1.330 63.483 62.100 0.089 0.000 1.137 307 T CB -0.446 68.348 68.868 -0.124 0.000 0.879 307 T HN 0.366 8.606 8.240 -0.000 0.000 0.467 308 K N 0.777 120.985 120.400 -0.320 0.000 2.097 308 K HA 0.057 4.311 4.320 -0.110 0.000 0.206 308 K C 2.288 178.738 176.600 -0.250 0.000 1.049 308 K CA 0.946 56.751 56.287 -0.803 0.000 0.933 308 K CB -0.348 31.673 32.500 -0.798 0.000 0.717 308 K HN 0.371 8.621 8.250 -0.000 0.000 0.442 309 L N 0.037 121.202 121.223 -0.098 0.000 2.027 309 L HA -0.194 4.080 4.340 -0.110 0.000 0.206 309 L C 2.568 179.420 176.870 -0.031 0.000 1.074 309 L CA 1.112 55.911 54.840 -0.069 0.000 0.745 309 L CB -0.588 41.427 42.059 -0.072 0.000 0.898 309 L HN 0.364 8.594 8.230 -0.000 0.000 0.433 310 H N -1.393 117.723 119.070 0.077 0.000 2.387 310 H HA -0.254 4.236 4.556 -0.110 0.000 0.299 310 H C 2.097 177.504 175.328 0.132 0.000 1.099 310 H CA 2.373 58.510 56.048 0.147 0.000 1.315 310 H CB -0.154 29.807 29.762 0.332 0.000 1.380 310 H HN 0.410 8.690 8.280 -0.000 0.000 0.513 311 Y N 1.255 121.612 120.300 0.096 0.000 2.133 311 Y HA -0.181 4.302 4.550 -0.111 0.000 0.287 311 Y C 2.508 178.380 175.900 -0.048 0.000 1.134 311 Y CA 1.219 59.330 58.100 0.019 0.000 1.133 311 Y CB -0.456 37.960 38.460 -0.072 0.000 0.987 311 Y HN -0.015 8.265 8.280 -0.000 0.000 0.502 312 L N -0.121 120.939 121.223 -0.271 0.000 2.056 312 L HA -0.197 4.077 4.340 -0.110 0.000 0.207 312 L C 2.372 179.104 176.870 -0.229 0.000 1.078 312 L CA 0.991 55.617 54.840 -0.356 0.000 0.749 312 L CB -0.523 41.419 42.059 -0.195 0.000 0.901 312 L HN 0.327 8.557 8.230 -0.000 0.000 0.433 313 L N -0.981 120.156 121.223 -0.144 0.000 2.275 313 L HA -0.131 4.143 4.340 -0.110 0.000 0.215 313 L C 2.312 179.129 176.870 -0.088 0.000 1.119 313 L CA 0.645 55.419 54.840 -0.110 0.000 0.790 313 L CB -0.285 41.707 42.059 -0.111 0.000 0.919 313 L HN 0.158 8.388 8.230 -0.000 0.000 0.443 314 S N -1.174 114.477 115.700 -0.081 0.000 2.603 314 S HA 0.033 4.437 4.470 -0.110 0.000 0.220 314 S C 0.743 175.302 174.600 -0.069 0.000 0.967 314 S CA 0.310 58.487 58.200 -0.039 0.000 0.920 314 S CB -0.022 63.197 63.200 0.031 0.000 0.773 314 S HN 0.421 8.731 8.310 -0.000 0.000 0.529 315 Q N 1.122 120.840 119.800 -0.136 0.000 2.207 315 Q HA 0.223 4.497 4.340 -0.110 0.000 0.237 315 Q C -0.192 175.757 176.000 -0.085 0.000 0.998 315 Q CA -0.731 54.998 55.803 -0.123 0.000 0.951 315 Q CB 0.482 29.089 28.738 -0.218 0.000 1.213 315 Q HN 0.204 8.474 8.270 -0.000 0.000 0.499 316 E N 1.672 121.835 120.200 -0.062 0.000 2.110 316 E HA 0.179 4.463 4.350 -0.110 0.000 0.300 316 E C -0.893 175.677 176.600 -0.051 0.000 1.278 316 E CA 0.074 56.447 56.400 -0.045 0.000 1.365 316 E CB -0.610 29.074 29.700 -0.026 0.000 1.283 316 E HN 0.346 8.706 8.360 -0.000 0.000 0.490 317 L N 1.628 122.812 121.223 -0.066 0.000 2.365 317 L HA 0.332 4.606 4.340 -0.110 0.000 0.273 317 L C 0.002 176.840 176.870 -0.053 0.000 1.000 317 L CA -1.418 53.385 54.840 -0.063 0.000 0.819 317 L CB 1.546 43.553 42.059 -0.088 0.000 1.284 317 L HN 0.162 8.392 8.230 -0.000 0.000 0.418 318 D N -0.437 119.939 120.400 -0.041 0.000 2.344 318 D HA 0.106 4.680 4.640 -0.110 0.000 0.244 318 D C 0.916 177.193 176.300 -0.038 0.000 1.134 318 D CA -0.505 53.474 54.000 -0.035 0.000 0.930 318 D CB 0.855 41.639 40.800 -0.026 0.000 1.175 318 D HN 0.471 8.841 8.370 -0.000 0.000 0.437 319 T N -0.054 114.479 114.554 -0.035 0.000 2.721 319 T HA -0.238 4.045 4.350 -0.110 0.000 0.268 319 T C 1.442 176.123 174.700 -0.032 0.000 1.038 319 T CA 1.917 63.995 62.100 -0.036 0.000 1.145 319 T CB -0.306 68.543 68.868 -0.031 0.000 0.858 319 T HN 0.572 8.812 8.240 -0.000 0.000 0.459 320 E N 0.437 120.622 120.200 -0.026 0.000 2.152 320 E HA -0.054 4.230 4.350 -0.110 0.000 0.192 320 E C 2.332 178.919 176.600 -0.022 0.000 0.983 320 E CA 1.069 57.457 56.400 -0.021 0.000 0.818 320 E CB -0.432 29.258 29.700 -0.016 0.000 0.758 320 E HN 0.397 8.757 8.360 -0.000 0.000 0.467 321 T N 0.427 114.965 114.554 -0.027 0.000 2.821 321 T HA -0.041 4.243 4.350 -0.110 0.000 0.267 321 T C 1.843 176.522 174.700 -0.035 0.000 1.046 321 T CA 1.135 63.218 62.100 -0.028 0.000 1.139 321 T CB -0.160 68.689 68.868 -0.032 0.000 0.871 321 T HN 0.151 8.391 8.240 -0.000 0.000 0.454 322 I N 0.678 121.220 120.570 -0.047 0.000 2.252 322 I HA -0.148 3.956 4.170 -0.110 0.000 0.245 322 I C 2.772 178.862 176.117 -0.045 0.000 1.102 322 I CA 1.245 62.510 61.300 -0.057 0.000 1.385 322 I CB -0.325 37.633 38.000 -0.069 0.000 1.064 322 I HN 0.120 8.330 8.210 -0.000 0.000 0.414 323 R N 0.674 121.153 120.500 -0.036 0.000 2.096 323 R HA -0.201 4.073 4.340 -0.110 0.000 0.235 323 R C 2.313 178.602 176.300 -0.019 0.000 1.127 323 R CA 1.334 57.418 56.100 -0.028 0.000 0.968 323 R CB -0.219 30.068 30.300 -0.022 0.000 0.861 323 R HN 0.299 8.569 8.270 -0.000 0.000 0.440 324 K N 0.243 120.634 120.400 -0.016 0.000 2.116 324 K HA -0.016 4.238 4.320 -0.110 0.000 0.203 324 K C 1.951 178.548 176.600 -0.005 0.000 1.052 324 K CA 1.049 57.332 56.287 -0.008 0.000 0.952 324 K CB 0.044 32.541 32.500 -0.005 0.000 0.729 324 K HN 0.130 8.380 8.250 -0.000 0.000 0.446 325 A N 0.819 123.633 122.820 -0.011 0.000 2.015 325 A HA -0.092 4.162 4.320 -0.110 0.000 0.219 325 A C 1.967 179.548 177.584 -0.004 0.000 1.163 325 A CA 0.962 52.998 52.037 -0.003 0.000 0.646 325 A CB -0.301 18.693 19.000 -0.011 0.000 0.806 325 A HN 0.249 8.399 8.150 -0.000 0.000 0.448 326 M N 0.780 120.368 119.600 -0.021 0.000 2.358 326 M HA -0.092 4.322 4.480 -0.110 0.000 0.264 326 M C 2.018 178.314 176.300 -0.006 0.000 1.064 326 M CA 1.803 57.086 55.300 -0.027 0.000 1.093 326 M CB -1.183 31.395 32.600 -0.037 0.000 1.401 326 M HN 0.616 8.906 8.290 -0.000 0.000 0.440 327 S N -1.360 114.341 115.700 0.002 0.000 2.556 327 S HA 0.145 4.549 4.470 -0.110 0.000 0.216 327 S C 0.591 175.204 174.600 0.020 0.000 0.970 327 S CA -0.423 57.783 58.200 0.010 0.000 0.912 327 S CB 0.031 63.235 63.200 0.007 0.000 0.790 327 S HN 0.495 8.805 8.310 -0.000 0.000 0.504 328 Q N 1.769 121.585 119.800 0.026 0.000 2.222 328 Q HA 0.391 4.665 4.340 -0.110 0.000 0.252 328 Q C -0.893 175.141 176.000 0.057 0.000 0.926 328 Q CA -0.755 55.071 55.803 0.037 0.000 0.899 328 Q CB 0.616 29.375 28.738 0.036 0.000 1.250 328 Q HN 0.200 8.470 8.270 -0.000 0.000 0.441 329 N N 2.147 120.881 118.700 0.056 0.000 2.448 329 N HA 0.075 4.749 4.740 -0.110 0.000 0.250 329 N C -0.075 175.484 175.510 0.081 0.000 1.136 329 N CA 0.176 53.267 53.050 0.067 0.000 0.953 329 N CB 0.288 38.803 38.487 0.047 0.000 1.251 329 N HN 0.628 9.008 8.380 -0.000 0.000 0.502 330 L N 2.095 123.395 121.223 0.128 0.000 2.202 330 L HA 0.190 4.464 4.340 -0.110 0.000 0.205 330 L C 1.260 178.181 176.870 0.085 0.000 1.083 330 L CA 0.485 55.409 54.840 0.139 0.000 0.790 330 L CB 0.041 42.241 42.059 0.235 0.000 0.942 330 L HN 0.408 8.638 8.230 -0.000 0.000 0.452 331 R N -0.492 120.032 120.500 0.039 0.000 2.569 331 R HA 0.269 4.543 4.340 -0.110 0.000 0.422 331 R C 0.589 176.836 176.300 -0.089 0.000 0.980 331 R CA 0.666 56.712 56.100 -0.089 0.000 1.164 331 R CB 1.110 31.208 30.300 -0.336 0.000 1.520 331 R HN 0.278 8.548 8.270 -0.000 0.000 0.567 332 G N 2.340 111.125 108.800 -0.024 0.000 2.141 332 G HA2 -0.271 3.623 3.960 -0.110 0.000 0.231 332 G HA3 -0.271 3.623 3.960 -0.110 0.000 0.231 332 G C 0.735 175.620 174.900 -0.024 0.000 0.984 332 G CA 0.469 45.557 45.100 -0.020 0.000 0.660 332 G HN 0.403 8.693 8.290 -0.000 0.000 0.525 333 E N -0.009 120.186 120.200 -0.009 0.000 2.435 333 E HA 0.204 4.488 4.350 -0.110 0.000 0.195 333 E C 1.013 177.634 176.600 0.035 0.000 1.029 333 E CA 1.145 57.554 56.400 0.015 0.000 0.865 333 E CB -0.179 29.587 29.700 0.108 0.000 0.833 333 E HN 1.302 9.662 8.360 -0.000 0.000 0.510 334 L N -2.815 118.430 121.223 0.037 0.000 2.469 334 L HA 0.627 4.901 4.340 -0.110 0.000 0.256 334 L C -0.834 176.050 176.870 0.024 0.000 1.006 334 L CA -0.946 53.912 54.840 0.030 0.000 0.832 334 L CB 1.917 43.999 42.059 0.039 0.000 1.421 334 L HN -0.290 7.940 8.230 -0.000 0.000 0.410 335 T N 2.146 116.711 114.554 0.019 0.000 2.743 335 T HA 0.548 4.832 4.350 -0.110 0.000 0.292 335 T C -2.533 172.178 174.700 0.018 0.000 0.972 335 T CA -0.845 61.265 62.100 0.017 0.000 0.967 335 T CB 0.809 69.686 68.868 0.014 0.000 0.926 335 T HN 0.616 8.856 8.240 -0.000 0.000 0.459 336 P HA 0.149 4.569 4.420 -0.000 0.000 0.269 336 P C 0.083 177.392 177.300 0.015 0.000 1.215 336 P CA -0.126 62.985 63.100 0.019 0.000 0.780 336 P CB 0.309 32.021 31.700 0.020 0.000 0.898 337 D N 0.000 120.409 120.400 0.014 0.000 6.856 337 D HA 0.000 4.574 4.640 -0.110 0.000 0.175 337 D CA 0.000 54.007 54.000 0.012 0.000 0.868 337 D CB 0.000 40.807 40.800 0.012 0.000 0.688 337 D HN 0.000 8.370 8.370 -0.000 0.000 0.683