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 1rv8_1_D DATA FIRST_RESID 1 DATA SEQUENCE MLVTGLEILK KAREEGYGVG AFNVNNMEFL QAVLEAAEEQ RSPVILALSE DATA SEQUENCE GAMKYGGRAL TLMAVELAKE ARVPVAVHLD HGSSYESVLR ALRAGFTSVM DATA SEQUENCE IDKSHEDFET NVRETRRVVE AAHAVGVTVE AELGRLAGIE EHVAVDEKDA DATA SEQUENCE LLTNPEEARI FMERTGADYL AVAIGTSHGA YKGKGRPFID HARLERIARL DATA SEQUENCE VPAPLVLHGA SAVPPELVER FRASGGEIGE AAGIHPEDIK KAISLGIAKI DATA SEQUENCE NTDTDLRLAF TALIREALNK NPKEFDPRKY LGPAREAVKE VVKSRMELFG DATA SEQUENCE SVGRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 32.605 32.600 0.009 0.000 1.302 2 L N 2.937 124.166 121.223 0.011 0.000 2.313 2 L HA 0.747 5.087 4.340 -0.001 0.000 0.282 2 L C -0.730 176.151 176.870 0.018 0.000 1.092 2 L CA 0.069 54.916 54.840 0.012 0.000 0.831 2 L CB 1.152 43.218 42.059 0.012 0.000 1.159 2 L HN 0.660 8.890 8.230 -0.000 0.000 0.442 3 V N 1.190 121.116 119.914 0.021 0.000 3.167 3 V HA 0.777 4.897 4.120 -0.001 0.000 0.310 3 V C 0.083 176.200 176.094 0.037 0.000 1.207 3 V CA -0.214 62.102 62.300 0.026 0.000 1.059 3 V CB 1.452 33.287 31.823 0.019 0.000 1.079 3 V HN 0.871 9.061 8.190 -0.000 0.000 0.446 4 T N -1.005 113.577 114.554 0.046 0.000 2.828 4 T HA 0.467 4.816 4.350 -0.001 0.000 0.290 4 T C 1.349 176.085 174.700 0.060 0.000 1.019 4 T CA 0.332 62.478 62.100 0.077 0.000 1.031 4 T CB 0.904 69.826 68.868 0.089 0.000 1.001 4 T HN 1.558 9.798 8.240 -0.000 0.000 0.531 5 G N 0.188 109.055 108.800 0.111 0.000 2.402 5 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.216 5 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.216 5 G C 1.299 176.099 174.900 -0.166 0.000 1.162 5 G CA 0.715 45.797 45.100 -0.031 0.000 0.777 5 G HN 0.659 8.949 8.290 -0.000 0.000 0.539 6 L N 0.991 122.261 121.223 0.078 0.000 1.989 6 L HA -0.057 4.283 4.340 -0.001 0.000 0.211 6 L C 2.640 179.490 176.870 -0.033 0.000 1.071 6 L CA 2.744 57.619 54.840 0.058 0.000 0.749 6 L CB -0.874 41.298 42.059 0.189 0.000 0.890 6 L HN 0.472 8.702 8.230 -0.000 0.000 0.431 7 E N -0.542 119.655 120.200 -0.005 0.000 2.114 7 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 7 E C 2.183 178.760 176.600 -0.037 0.000 1.008 7 E CA 2.186 58.578 56.400 -0.013 0.000 0.810 7 E CB -0.265 29.437 29.700 0.003 0.000 0.739 7 E HN 0.669 9.029 8.360 -0.000 0.000 0.456 8 I N 0.266 120.798 120.570 -0.063 0.000 2.333 8 I HA -0.215 3.955 4.170 -0.001 0.000 0.246 8 I C 2.276 178.308 176.117 -0.143 0.000 1.106 8 I CA 0.618 61.876 61.300 -0.070 0.000 1.411 8 I CB -0.070 37.892 38.000 -0.064 0.000 1.082 8 I HN 0.195 8.405 8.210 -0.000 0.000 0.420 9 L N 0.497 121.578 121.223 -0.237 0.000 2.156 9 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 9 L C 2.537 179.270 176.870 -0.227 0.000 1.095 9 L CA 1.012 55.672 54.840 -0.300 0.000 0.770 9 L CB -0.515 41.253 42.059 -0.486 0.000 0.914 9 L HN 0.200 8.430 8.230 -0.000 0.000 0.439 10 K N 1.031 121.340 120.400 -0.153 0.000 2.057 10 K HA -0.237 4.083 4.320 -0.001 0.000 0.207 10 K C 2.246 178.775 176.600 -0.118 0.000 1.049 10 K CA 1.485 57.711 56.287 -0.101 0.000 0.931 10 K CB 0.058 32.528 32.500 -0.051 0.000 0.714 10 K HN 0.074 8.324 8.250 -0.000 0.000 0.440 11 K N 0.080 120.413 120.400 -0.112 0.000 2.057 11 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 11 K C 1.977 178.423 176.600 -0.258 0.000 1.049 11 K CA 1.186 57.417 56.287 -0.092 0.000 0.931 11 K CB -0.193 32.307 32.500 -0.000 0.000 0.714 11 K HN 0.225 8.475 8.250 -0.000 0.000 0.440 12 A N 1.791 124.331 122.820 -0.467 0.000 1.859 12 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 12 A C 2.220 179.417 177.584 -0.645 0.000 1.198 12 A CA 1.778 53.200 52.037 -1.025 0.000 0.629 12 A CB -0.741 17.803 19.000 -0.760 0.000 0.830 12 A HN 0.368 8.518 8.150 -0.000 0.000 0.446 13 R N -0.401 119.887 120.500 -0.354 0.000 2.081 13 R HA -0.172 4.168 4.340 -0.001 0.000 0.235 13 R C 2.211 178.418 176.300 -0.154 0.000 1.131 13 R CA 1.795 57.765 56.100 -0.217 0.000 0.960 13 R CB -0.354 29.859 30.300 -0.145 0.000 0.856 13 R HN 0.749 9.019 8.270 -0.000 0.000 0.436 14 E N 0.404 120.522 120.200 -0.137 0.000 2.097 14 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 14 E C 0.989 177.561 176.600 -0.046 0.000 1.000 14 E CA 1.697 58.053 56.400 -0.073 0.000 0.804 14 E CB 0.116 29.784 29.700 -0.055 0.000 0.740 14 E HN 0.452 8.812 8.360 -0.000 0.000 0.454 15 E N -1.581 118.582 120.200 -0.063 0.000 2.474 15 E HA 0.124 4.473 4.350 -0.001 0.000 0.195 15 E C 0.529 177.181 176.600 0.088 0.000 1.039 15 E CA 0.298 56.730 56.400 0.053 0.000 0.881 15 E CB 0.889 30.721 29.700 0.220 0.000 0.970 15 E HN 0.408 8.768 8.360 -0.000 0.000 0.486 16 G N 1.603 110.391 108.800 -0.019 0.000 2.182 16 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.248 16 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.248 16 G C -0.351 174.613 174.900 0.107 0.000 1.042 16 G CA 0.764 45.880 45.100 0.025 0.000 0.775 16 G HN 0.365 8.655 8.290 -0.000 0.000 0.501 17 Y N -2.041 118.259 120.300 0.001 0.000 2.609 17 Y HA 0.822 5.372 4.550 -0.000 0.000 0.342 17 Y C 0.353 176.245 175.900 -0.012 0.000 1.058 17 Y CA -1.543 56.567 58.100 0.017 0.000 1.055 17 Y CB 0.900 39.381 38.460 0.035 0.000 1.292 17 Y HN 0.562 8.842 8.280 -0.000 0.000 0.476 18 G N 0.540 109.449 108.800 0.183 0.000 2.432 18 G HA2 0.586 4.546 3.960 -0.001 0.000 0.331 18 G HA3 0.586 4.546 3.960 -0.001 0.000 0.331 18 G C -1.876 173.077 174.900 0.088 0.000 1.170 18 G CA -1.087 43.990 45.100 -0.037 0.000 0.943 18 G HN 0.634 8.924 8.290 -0.000 0.000 0.483 19 V N 0.520 120.391 119.914 -0.072 0.000 2.513 19 V HA 0.683 4.802 4.120 -0.001 0.000 0.299 19 V C 0.936 176.937 176.094 -0.156 0.000 1.035 19 V CA -0.521 61.796 62.300 0.027 0.000 0.889 19 V CB 1.599 33.428 31.823 0.010 0.000 0.988 19 V HN 0.946 9.136 8.190 -0.000 0.000 0.440 20 G N 2.809 111.610 108.800 0.001 0.000 2.370 20 G HA2 0.529 4.489 3.960 -0.001 0.000 0.272 20 G HA3 0.529 4.489 3.960 -0.001 0.000 0.272 20 G C -0.022 174.564 174.900 -0.524 0.000 1.208 20 G CA -0.047 44.804 45.100 -0.415 0.000 0.856 20 G HN 1.109 9.399 8.290 -0.000 0.000 0.500 21 A N 2.813 125.314 122.820 -0.532 0.000 2.444 21 A HA 0.646 4.966 4.320 -0.001 0.000 0.332 21 A C -0.590 176.825 177.584 -0.282 0.000 1.430 21 A CA -0.647 51.227 52.037 -0.271 0.000 0.975 21 A CB -0.182 18.698 19.000 -0.200 0.000 1.147 21 A HN 0.540 8.690 8.150 -0.000 0.000 0.524 22 F N 1.562 121.556 119.950 0.074 0.000 2.411 22 F HA 0.253 4.780 4.527 -0.000 0.000 0.355 22 F C 0.581 176.426 175.800 0.076 0.000 1.117 22 F CA -0.427 57.624 58.000 0.085 0.000 1.139 22 F CB 0.855 39.909 39.000 0.090 0.000 1.120 22 F HN 0.511 8.811 8.300 -0.000 0.000 0.493 23 N N 2.133 120.959 118.700 0.210 0.000 2.497 23 N HA 0.439 5.179 4.740 -0.001 0.000 0.268 23 N C -0.905 174.674 175.510 0.116 0.000 1.171 23 N CA -0.242 52.883 53.050 0.124 0.000 0.948 23 N CB 1.036 39.557 38.487 0.056 0.000 1.069 23 N HN 0.424 8.804 8.380 -0.000 0.000 0.460 24 V N -0.393 119.553 119.914 0.053 0.000 2.876 24 V HA 0.573 4.693 4.120 -0.001 0.000 0.312 24 V C -0.099 175.930 176.094 -0.108 0.000 1.085 24 V CA -0.797 61.504 62.300 0.000 0.000 0.945 24 V CB 2.392 34.276 31.823 0.102 0.000 1.017 24 V HN 0.669 8.859 8.190 -0.000 0.000 0.428 25 N N 1.848 120.386 118.700 -0.270 0.000 2.145 25 N HA 0.150 4.890 4.740 -0.001 0.000 0.219 25 N C -0.323 175.206 175.510 0.032 0.000 1.266 25 N CA 0.402 53.361 53.050 -0.153 0.000 0.902 25 N CB 0.893 39.166 38.487 -0.357 0.000 1.078 25 N HN 0.970 9.350 8.380 -0.000 0.000 0.513 26 N N -0.732 117.969 118.700 0.003 0.000 3.364 26 N HA 0.118 4.858 4.740 -0.001 0.000 0.294 26 N C 0.421 176.005 175.510 0.122 0.000 1.562 26 N CA -0.651 52.465 53.050 0.110 0.000 0.862 26 N CB 0.619 39.214 38.487 0.179 0.000 1.691 26 N HN -0.273 8.107 8.380 -0.000 0.000 0.572 27 M N 0.227 119.896 119.600 0.115 0.000 2.065 27 M HA -0.169 4.310 4.480 -0.001 0.000 0.259 27 M C 1.351 177.714 176.300 0.105 0.000 1.071 27 M CA 2.100 57.457 55.300 0.094 0.000 1.109 27 M CB -0.301 32.344 32.600 0.075 0.000 1.313 27 M HN 0.657 8.947 8.290 -0.000 0.000 0.408 28 E N -0.173 120.108 120.200 0.134 0.000 2.160 28 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 28 E C 1.813 178.424 176.600 0.017 0.000 0.991 28 E CA 1.561 58.016 56.400 0.092 0.000 0.810 28 E CB -1.093 28.702 29.700 0.159 0.000 0.742 28 E HN 0.532 8.892 8.360 -0.000 0.000 0.466 29 F N 0.862 120.740 119.950 -0.120 0.000 2.146 29 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 29 F C 2.321 178.074 175.800 -0.077 0.000 1.096 29 F CA 0.714 58.626 58.000 -0.146 0.000 1.275 29 F CB -0.418 38.463 39.000 -0.198 0.000 1.008 29 F HN 0.028 8.328 8.300 -0.000 0.000 0.480 30 L N 0.130 121.440 121.223 0.145 0.000 2.056 30 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 30 L C 2.229 179.112 176.870 0.022 0.000 1.078 30 L CA 1.787 56.670 54.840 0.072 0.000 0.749 30 L CB -1.002 41.094 42.059 0.061 0.000 0.901 30 L HN 0.172 8.402 8.230 -0.000 0.000 0.433 31 Q N -1.061 118.748 119.800 0.016 0.000 2.050 31 Q HA -0.185 4.154 4.340 -0.001 0.000 0.202 31 Q C 2.258 178.233 176.000 -0.042 0.000 0.980 31 Q CA 1.694 57.491 55.803 -0.009 0.000 0.840 31 Q CB -0.373 28.364 28.738 -0.002 0.000 0.898 31 Q HN 0.643 8.913 8.270 -0.000 0.000 0.424 32 A N 0.358 123.137 122.820 -0.068 0.000 1.908 32 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 32 A C 2.322 179.819 177.584 -0.144 0.000 1.181 32 A CA 1.576 53.544 52.037 -0.116 0.000 0.627 32 A CB -0.713 18.181 19.000 -0.177 0.000 0.818 32 A HN 0.226 8.376 8.150 -0.000 0.000 0.445 33 V N -0.108 119.724 119.914 -0.136 0.000 2.379 33 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 33 V C 2.521 178.537 176.094 -0.130 0.000 1.044 33 V CA 1.765 63.949 62.300 -0.194 0.000 1.036 33 V CB -0.715 31.037 31.823 -0.118 0.000 0.664 33 V HN 0.549 8.739 8.190 -0.000 0.000 0.453 34 L N -0.518 120.666 121.223 -0.066 0.000 2.109 34 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 34 L C 2.592 179.432 176.870 -0.051 0.000 1.086 34 L CA 1.482 56.298 54.840 -0.041 0.000 0.760 34 L CB -0.533 41.514 42.059 -0.020 0.000 0.910 34 L HN 0.356 8.586 8.230 -0.000 0.000 0.437 35 E N 0.207 120.371 120.200 -0.060 0.000 2.077 35 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 35 E C 2.279 178.835 176.600 -0.072 0.000 0.989 35 E CA 1.203 57.568 56.400 -0.058 0.000 0.800 35 E CB -0.042 29.623 29.700 -0.058 0.000 0.746 35 E HN 0.480 8.840 8.360 -0.000 0.000 0.452 36 A N 1.288 124.045 122.820 -0.105 0.000 1.902 36 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 36 A C 2.361 179.890 177.584 -0.092 0.000 1.181 36 A CA 1.797 53.761 52.037 -0.122 0.000 0.623 36 A CB -0.617 18.261 19.000 -0.203 0.000 0.818 36 A HN 0.329 8.479 8.150 -0.000 0.000 0.443 37 A N -0.404 122.367 122.820 -0.082 0.000 1.902 37 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 37 A C 1.969 179.536 177.584 -0.028 0.000 1.181 37 A CA 1.691 53.706 52.037 -0.036 0.000 0.623 37 A CB -0.403 18.591 19.000 -0.010 0.000 0.818 37 A HN 0.508 8.658 8.150 -0.000 0.000 0.443 38 E N 0.082 120.263 120.200 -0.033 0.000 2.047 38 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 38 E C 1.861 178.442 176.600 -0.031 0.000 0.987 38 E CA 1.370 57.754 56.400 -0.027 0.000 0.799 38 E CB -0.421 29.264 29.700 -0.026 0.000 0.752 38 E HN 0.779 9.139 8.360 -0.000 0.000 0.449 39 E N 0.453 120.629 120.200 -0.039 0.000 2.268 39 E HA -0.119 4.230 4.350 -0.001 0.000 0.195 39 E C 1.692 178.268 176.600 -0.039 0.000 0.995 39 E CA 0.531 56.908 56.400 -0.039 0.000 0.836 39 E CB 0.150 29.823 29.700 -0.045 0.000 0.763 39 E HN 0.128 8.488 8.360 -0.000 0.000 0.491 40 Q N -0.029 119.747 119.800 -0.041 0.000 2.282 40 Q HA 0.136 4.476 4.340 -0.001 0.000 0.206 40 Q C -0.151 175.826 176.000 -0.037 0.000 0.878 40 Q CA -0.055 55.725 55.803 -0.040 0.000 0.944 40 Q CB 0.588 29.302 28.738 -0.039 0.000 1.100 40 Q HN 0.163 8.433 8.270 -0.000 0.000 0.509 41 R N 0.643 121.124 120.500 -0.032 0.000 3.322 41 R HA -0.136 4.203 4.340 -0.001 0.000 0.253 41 R C -0.299 175.980 176.300 -0.035 0.000 0.987 41 R CA 0.779 56.861 56.100 -0.031 0.000 0.666 41 R CB -2.062 28.217 30.300 -0.035 0.000 1.072 41 R HN 0.071 8.341 8.270 -0.000 0.000 0.447 42 S N 0.246 115.934 115.700 -0.019 0.000 2.513 42 S HA 0.649 5.119 4.470 -0.001 0.000 0.299 42 S C -2.306 172.316 174.600 0.036 0.000 1.087 42 S CA -1.799 56.398 58.200 -0.005 0.000 1.012 42 S CB 1.600 64.810 63.200 0.018 0.000 1.044 42 S HN 0.037 8.347 8.310 -0.000 0.000 0.485 43 P HA 0.297 4.717 4.420 -0.000 0.000 0.272 43 P C -0.862 176.511 177.300 0.121 0.000 1.230 43 P CA -0.315 62.836 63.100 0.085 0.000 0.788 43 P CB 0.827 32.599 31.700 0.119 0.000 0.949 44 V N 1.865 121.843 119.914 0.108 0.000 3.204 44 V HA 0.472 4.592 4.120 -0.001 0.000 0.298 44 V C -1.419 174.739 176.094 0.107 0.000 1.328 44 V CA -0.925 61.470 62.300 0.159 0.000 1.035 44 V CB 2.238 34.173 31.823 0.187 0.000 1.095 44 V HN 0.316 8.506 8.190 -0.000 0.000 0.442 45 I N 5.167 125.811 120.570 0.124 0.000 2.418 45 I HA 0.440 4.610 4.170 -0.001 0.000 0.287 45 I C -0.636 175.552 176.117 0.119 0.000 1.008 45 I CA -0.564 60.772 61.300 0.059 0.000 1.104 45 I CB 1.792 39.763 38.000 -0.047 0.000 1.264 45 I HN 0.406 8.616 8.210 -0.000 0.000 0.438 46 L N 6.326 127.597 121.223 0.079 0.000 2.278 46 L HA 0.530 4.870 4.340 -0.001 0.000 0.287 46 L C 0.414 177.327 176.870 0.072 0.000 1.072 46 L CA -0.312 54.576 54.840 0.079 0.000 0.819 46 L CB 0.966 43.027 42.059 0.003 0.000 1.176 46 L HN 0.636 8.866 8.230 -0.000 0.000 0.435 47 A N 5.471 128.367 122.820 0.126 0.000 2.276 47 A HA 0.774 5.094 4.320 -0.001 0.000 0.316 47 A C -0.787 176.865 177.584 0.114 0.000 1.229 47 A CA -0.442 51.694 52.037 0.165 0.000 0.851 47 A CB 0.688 19.803 19.000 0.193 0.000 1.165 47 A HN 0.555 8.705 8.150 -0.000 0.000 0.513 48 L N 2.716 124.013 121.223 0.123 0.000 2.372 48 L HA 0.422 4.761 4.340 -0.001 0.000 0.274 48 L C 0.797 177.749 176.870 0.136 0.000 0.988 48 L CA 0.047 54.968 54.840 0.134 0.000 0.833 48 L CB 1.688 43.870 42.059 0.205 0.000 1.236 48 L HN 0.807 9.037 8.230 -0.000 0.000 0.410 49 S N 1.040 116.790 115.700 0.083 0.000 2.661 49 S HA 0.314 4.784 4.470 -0.001 0.000 0.265 49 S C 0.875 175.505 174.600 0.051 0.000 1.225 49 S CA -0.510 57.727 58.200 0.062 0.000 0.986 49 S CB 0.745 63.962 63.200 0.029 0.000 1.008 49 S HN 0.651 8.961 8.310 -0.000 0.000 0.565 50 E N 0.411 120.630 120.200 0.032 0.000 2.204 50 E HA -0.022 4.328 4.350 -0.001 0.000 0.194 50 E C 2.083 178.696 176.600 0.022 0.000 0.989 50 E CA 0.862 57.272 56.400 0.018 0.000 0.824 50 E CB -0.680 29.025 29.700 0.009 0.000 0.756 50 E HN 0.857 9.217 8.360 -0.000 0.000 0.477 51 G N 1.419 110.227 108.800 0.014 0.000 2.408 51 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 51 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 51 G C 1.693 176.620 174.900 0.044 0.000 1.150 51 G CA 0.779 45.886 45.100 0.011 0.000 0.776 51 G HN 0.332 8.622 8.290 -0.000 0.000 0.542 52 A N 0.152 122.995 122.820 0.037 0.000 1.898 52 A HA 0.096 4.416 4.320 -0.001 0.000 0.216 52 A C 2.318 179.970 177.584 0.114 0.000 1.181 52 A CA 1.959 54.041 52.037 0.075 0.000 0.620 52 A CB -0.333 18.693 19.000 0.044 0.000 0.819 52 A HN 0.327 8.477 8.150 -0.000 0.000 0.442 53 M N -0.447 119.206 119.600 0.088 0.000 2.108 53 M HA -0.138 4.342 4.480 -0.001 0.000 0.261 53 M C 2.030 178.362 176.300 0.053 0.000 1.066 53 M CA 1.710 57.053 55.300 0.072 0.000 1.107 53 M CB -0.165 32.453 32.600 0.030 0.000 1.356 53 M HN 0.273 8.563 8.290 -0.000 0.000 0.406 54 K N -1.403 119.033 120.400 0.060 0.000 2.076 54 K HA -0.133 4.187 4.320 -0.001 0.000 0.204 54 K C 2.100 178.746 176.600 0.078 0.000 1.051 54 K CA 1.357 57.676 56.287 0.053 0.000 0.949 54 K CB -0.540 31.991 32.500 0.051 0.000 0.726 54 K HN 0.475 8.725 8.250 -0.000 0.000 0.443 55 Y N 0.146 120.438 120.300 -0.013 0.000 2.243 55 Y HA 0.022 4.572 4.550 -0.001 0.000 0.293 55 Y C 1.955 177.849 175.900 -0.011 0.000 1.124 55 Y CA 1.969 60.060 58.100 -0.016 0.000 1.159 55 Y CB -0.322 38.118 38.460 -0.033 0.000 1.008 55 Y HN 0.058 8.338 8.280 -0.000 0.000 0.527 56 G N -0.570 108.269 108.800 0.065 0.000 2.539 56 G HA2 0.261 4.221 3.960 -0.001 0.000 0.215 56 G HA3 0.261 4.221 3.960 -0.001 0.000 0.215 56 G C 1.140 176.022 174.900 -0.030 0.000 1.141 56 G CA 0.437 45.529 45.100 -0.013 0.000 0.806 56 G HN 0.834 9.124 8.290 -0.000 0.000 0.533 57 G N 0.660 109.461 108.800 0.000 0.000 2.574 57 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.295 57 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.295 57 G C 1.103 176.012 174.900 0.016 0.000 1.300 57 G CA 1.170 46.270 45.100 -0.001 0.000 0.944 57 G HN 0.651 8.941 8.290 -0.000 0.000 0.551 58 R N 0.313 120.817 120.500 0.006 0.000 2.117 58 R HA 0.038 4.378 4.340 -0.001 0.000 0.243 58 R C 3.021 179.334 176.300 0.020 0.000 1.143 58 R CA 3.293 59.404 56.100 0.017 0.000 0.968 58 R CB -1.133 29.170 30.300 0.005 0.000 0.863 58 R HN 1.333 9.602 8.270 -0.000 0.000 0.444 59 A N 0.592 123.414 122.820 0.003 0.000 1.877 59 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 59 A C 2.344 179.940 177.584 0.020 0.000 1.186 59 A CA 1.512 53.551 52.037 0.003 0.000 0.620 59 A CB -0.729 18.260 19.000 -0.018 0.000 0.822 59 A HN 0.397 8.547 8.150 -0.000 0.000 0.443 60 L N -0.049 121.191 121.223 0.027 0.000 1.994 60 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 60 L C 3.108 180.016 176.870 0.064 0.000 1.071 60 L CA 2.371 57.240 54.840 0.049 0.000 0.745 60 L CB -0.748 41.350 42.059 0.067 0.000 0.892 60 L HN 0.696 8.927 8.230 -0.000 0.000 0.431 61 T N -1.898 112.717 114.554 0.102 0.000 2.788 61 T HA -0.247 4.103 4.350 -0.001 0.000 0.268 61 T C 1.813 176.568 174.700 0.093 0.000 1.044 61 T CA 1.369 63.561 62.100 0.154 0.000 1.139 61 T CB -0.644 68.380 68.868 0.259 0.000 0.867 61 T HN 0.255 8.495 8.240 -0.000 0.000 0.454 62 L N 0.646 121.908 121.223 0.065 0.000 1.989 62 L HA 0.074 4.414 4.340 -0.001 0.000 0.211 62 L C 2.662 179.549 176.870 0.029 0.000 1.071 62 L CA 1.906 56.772 54.840 0.044 0.000 0.749 62 L CB -0.687 41.391 42.059 0.031 0.000 0.890 62 L HN 0.258 8.488 8.230 -0.000 0.000 0.431 63 M N -0.791 118.824 119.600 0.025 0.000 2.067 63 M HA -0.204 4.275 4.480 -0.001 0.000 0.260 63 M C 2.359 178.662 176.300 0.004 0.000 1.069 63 M CA 1.915 57.225 55.300 0.017 0.000 1.117 63 M CB -0.708 31.904 32.600 0.021 0.000 1.334 63 M HN 0.505 8.795 8.290 -0.000 0.000 0.407 64 A N -0.017 122.800 122.820 -0.006 0.000 1.873 64 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 64 A C 2.230 179.780 177.584 -0.056 0.000 1.193 64 A CA 2.145 54.155 52.037 -0.045 0.000 0.629 64 A CB -1.134 17.803 19.000 -0.105 0.000 0.826 64 A HN 0.325 8.475 8.150 -0.000 0.000 0.447 65 V N -0.073 119.816 119.914 -0.041 0.000 2.323 65 V HA -0.158 3.961 4.120 -0.001 0.000 0.244 65 V C 2.580 178.673 176.094 -0.002 0.000 1.041 65 V CA 2.047 64.334 62.300 -0.022 0.000 1.025 65 V CB -0.680 31.157 31.823 0.023 0.000 0.656 65 V HN 0.507 8.697 8.190 -0.000 0.000 0.451 66 E N 0.110 120.315 120.200 0.007 0.000 2.107 66 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 66 E C 2.185 178.787 176.600 0.004 0.000 0.982 66 E CA 0.901 57.307 56.400 0.009 0.000 0.809 66 E CB -0.236 29.472 29.700 0.013 0.000 0.756 66 E HN 0.500 8.860 8.360 -0.000 0.000 0.459 67 L N 0.341 121.565 121.223 0.001 0.000 2.217 67 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 67 L C 2.420 179.288 176.870 -0.002 0.000 1.107 67 L CA 0.793 55.633 54.840 0.000 0.000 0.783 67 L CB -0.471 41.588 42.059 0.001 0.000 0.919 67 L HN 0.037 8.267 8.230 -0.000 0.000 0.442 68 A N 0.479 123.295 122.820 -0.006 0.000 1.930 68 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 68 A C 2.287 179.872 177.584 0.001 0.000 1.175 68 A CA 1.370 53.404 52.037 -0.006 0.000 0.627 68 A CB -0.263 18.727 19.000 -0.016 0.000 0.815 68 A HN 0.313 8.463 8.150 -0.000 0.000 0.443 69 K N -0.262 120.140 120.400 0.003 0.000 2.209 69 K HA -0.133 4.187 4.320 -0.001 0.000 0.204 69 K C 1.389 177.992 176.600 0.005 0.000 1.048 69 K CA 1.500 57.790 56.287 0.006 0.000 0.940 69 K CB -0.095 32.410 32.500 0.008 0.000 0.729 69 K HN 0.607 8.857 8.250 -0.000 0.000 0.451 70 E N 0.320 120.522 120.200 0.003 0.000 2.474 70 E HA 0.101 4.451 4.350 -0.001 0.000 0.195 70 E C -0.124 176.476 176.600 0.000 0.000 1.039 70 E CA -0.394 56.007 56.400 0.002 0.000 0.881 70 E CB 0.572 30.273 29.700 0.001 0.000 0.970 70 E HN 0.207 8.567 8.360 -0.000 0.000 0.486 71 A N 1.250 124.071 122.820 0.001 0.000 2.462 71 A HA 0.104 4.423 4.320 -0.001 0.000 0.243 71 A C 0.697 178.281 177.584 0.001 0.000 1.076 71 A CA -0.053 51.984 52.037 -0.000 0.000 0.773 71 A CB 0.294 19.296 19.000 0.002 0.000 1.010 71 A HN 0.170 8.320 8.150 -0.000 0.000 0.493 72 R N 0.733 121.232 120.500 -0.002 0.000 2.320 72 R HA 0.143 4.482 4.340 -0.001 0.000 0.211 72 R C 0.075 176.375 176.300 -0.000 0.000 0.931 72 R CA 0.524 56.623 56.100 -0.002 0.000 1.071 72 R CB -0.435 29.862 30.300 -0.005 0.000 1.025 72 R HN 0.667 8.937 8.270 -0.000 0.000 0.495 73 V N -2.430 117.485 119.914 0.003 0.000 3.001 73 V HA 0.587 4.707 4.120 -0.001 0.000 0.314 73 V C -2.731 173.372 176.094 0.015 0.000 1.099 73 V CA -3.165 59.140 62.300 0.008 0.000 0.989 73 V CB 2.373 34.202 31.823 0.008 0.000 1.040 73 V HN -0.142 8.048 8.190 -0.000 0.000 0.434 74 P HA 0.349 4.769 4.420 -0.000 0.000 0.276 74 P C -0.856 176.460 177.300 0.028 0.000 1.235 74 P CA 0.047 63.161 63.100 0.024 0.000 0.772 74 P CB 1.425 33.142 31.700 0.029 0.000 0.871 75 V N 2.757 122.683 119.914 0.020 0.000 2.709 75 V HA 0.711 4.830 4.120 -0.001 0.000 0.308 75 V C 0.003 176.103 176.094 0.011 0.000 1.062 75 V CA -0.863 61.449 62.300 0.019 0.000 0.901 75 V CB 2.002 33.833 31.823 0.014 0.000 1.003 75 V HN 0.734 8.924 8.190 -0.000 0.000 0.425 76 A N 3.510 126.336 122.820 0.009 0.000 2.365 76 A HA 0.888 5.208 4.320 -0.001 0.000 0.318 76 A C -0.979 176.598 177.584 -0.012 0.000 1.091 76 A CA -0.610 51.433 52.037 0.009 0.000 0.763 76 A CB 1.830 20.839 19.000 0.015 0.000 1.248 76 A HN 0.689 8.839 8.150 -0.000 0.000 0.442 77 V N 2.832 122.710 119.914 -0.059 0.000 2.370 77 V HA 0.383 4.503 4.120 -0.001 0.000 0.279 77 V C -0.334 175.662 176.094 -0.163 0.000 1.029 77 V CA -0.201 61.955 62.300 -0.240 0.000 0.870 77 V CB 0.904 32.447 31.823 -0.467 0.000 0.984 77 V HN 0.994 9.184 8.190 -0.000 0.000 0.451 78 H N 4.438 123.392 119.070 -0.193 0.000 2.538 78 H HA 0.542 5.097 4.556 -0.001 0.000 0.353 78 H C -0.930 174.557 175.328 0.264 0.000 1.109 78 H CA -0.755 55.344 56.048 0.085 0.000 1.192 78 H CB 1.578 31.393 29.762 0.089 0.000 1.555 78 H HN 0.626 8.906 8.280 -0.000 0.000 0.518 79 L N 4.353 125.527 121.223 -0.081 0.000 2.315 79 L HA 0.205 4.544 4.340 -0.001 0.000 0.283 79 L C -0.620 175.946 176.870 -0.505 0.000 1.089 79 L CA -0.223 54.584 54.840 -0.056 0.000 0.833 79 L CB 0.262 42.271 42.059 -0.082 0.000 1.170 79 L HN 0.779 9.009 8.230 -0.000 0.000 0.442 80 D N 4.023 124.329 120.400 -0.157 0.000 2.274 80 D HA 0.178 4.818 4.640 -0.001 0.000 0.239 80 D C -0.097 176.277 176.300 0.123 0.000 1.104 80 D CA 0.139 54.143 54.000 0.007 0.000 0.840 80 D CB 0.356 41.253 40.800 0.162 0.000 1.100 80 D HN 0.569 8.939 8.370 -0.000 0.000 0.477 81 H N 1.178 120.250 119.070 0.003 0.000 2.672 81 H HA -0.116 4.440 4.556 -0.001 0.000 0.325 81 H C 0.798 176.136 175.328 0.017 0.000 1.158 81 H CA 0.918 56.988 56.048 0.036 0.000 1.134 81 H CB -1.117 28.665 29.762 0.033 0.000 1.553 81 H HN 0.458 8.738 8.280 -0.000 0.000 0.419 82 G N 0.022 108.849 108.800 0.045 0.000 2.544 82 G HA2 0.332 4.291 3.960 -0.001 0.000 0.242 82 G HA3 0.332 4.291 3.960 -0.001 0.000 0.242 82 G C 0.881 175.818 174.900 0.062 0.000 1.247 82 G CA -0.037 45.076 45.100 0.021 0.000 0.840 82 G HN 0.576 8.866 8.290 -0.000 0.000 0.578 83 S N -1.510 114.223 115.700 0.054 0.000 2.603 83 S HA 0.417 4.887 4.470 -0.001 0.000 0.232 83 S C 0.646 175.290 174.600 0.073 0.000 1.016 83 S CA 0.390 58.641 58.200 0.085 0.000 0.976 83 S CB 0.083 63.328 63.200 0.075 0.000 0.921 83 S HN 1.326 9.636 8.310 -0.000 0.000 0.516 84 S N -0.387 115.342 115.700 0.048 0.000 2.596 84 S HA 0.517 4.987 4.470 -0.001 0.000 0.270 84 S C -0.053 174.588 174.600 0.068 0.000 1.155 84 S CA -0.729 57.508 58.200 0.063 0.000 0.827 84 S CB 0.477 63.707 63.200 0.049 0.000 1.130 84 S HN 0.073 8.383 8.310 -0.000 0.000 0.467 85 Y N 1.415 121.697 120.300 -0.030 0.000 2.242 85 Y HA 0.004 4.554 4.550 0.000 0.000 0.291 85 Y C 1.925 177.797 175.900 -0.048 0.000 1.137 85 Y CA 2.271 60.345 58.100 -0.043 0.000 1.181 85 Y CB -0.311 38.125 38.460 -0.040 0.000 0.989 85 Y HN 0.830 9.110 8.280 -0.000 0.000 0.527 86 E N -0.500 119.698 120.200 -0.004 0.000 2.072 86 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 86 E C 2.534 179.047 176.600 -0.146 0.000 0.985 86 E CA 1.331 57.677 56.400 -0.090 0.000 0.801 86 E CB -0.616 29.079 29.700 -0.007 0.000 0.750 86 E HN 0.338 8.698 8.360 -0.000 0.000 0.452 87 S N -0.225 115.413 115.700 -0.104 0.000 2.359 87 S HA -0.167 4.302 4.470 -0.001 0.000 0.224 87 S C 2.045 176.527 174.600 -0.197 0.000 1.035 87 S CA 1.339 59.466 58.200 -0.122 0.000 1.018 87 S CB -0.317 62.839 63.200 -0.073 0.000 0.876 87 S HN 0.119 8.429 8.310 -0.000 0.000 0.448 88 V N 2.194 121.980 119.914 -0.214 0.000 2.343 88 V HA -0.146 3.974 4.120 -0.001 0.000 0.247 88 V C 2.409 178.309 176.094 -0.323 0.000 1.051 88 V CA 1.820 63.963 62.300 -0.262 0.000 1.036 88 V CB -0.703 30.977 31.823 -0.238 0.000 0.654 88 V HN 0.488 8.678 8.190 -0.000 0.000 0.451 89 L N -0.614 120.373 121.223 -0.392 0.000 2.042 89 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 89 L C 2.805 179.527 176.870 -0.246 0.000 1.076 89 L CA 1.738 56.372 54.840 -0.343 0.000 0.749 89 L CB -0.646 41.205 42.059 -0.346 0.000 0.893 89 L HN 0.259 8.489 8.230 -0.000 0.000 0.432 90 R N -0.103 120.257 120.500 -0.234 0.000 2.096 90 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 90 R C 2.399 178.510 176.300 -0.315 0.000 1.127 90 R CA 1.324 57.295 56.100 -0.215 0.000 0.968 90 R CB -0.458 29.736 30.300 -0.176 0.000 0.861 90 R HN 0.357 8.627 8.270 -0.000 0.000 0.440 91 A N 0.947 123.495 122.820 -0.453 0.000 1.969 91 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 91 A C 1.997 179.259 177.584 -0.537 0.000 1.169 91 A CA 0.967 52.489 52.037 -0.859 0.000 0.635 91 A CB -0.237 18.200 19.000 -0.939 0.000 0.810 91 A HN 0.087 8.237 8.150 -0.000 0.000 0.445 92 L N -0.195 120.858 121.223 -0.283 0.000 2.093 92 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 92 L C 2.513 179.336 176.870 -0.079 0.000 1.085 92 L CA 2.182 56.947 54.840 -0.125 0.000 0.755 92 L CB -0.864 41.121 42.059 -0.123 0.000 0.904 92 L HN 0.591 8.821 8.230 -0.000 0.000 0.435 93 R N -0.078 120.354 120.500 -0.113 0.000 2.115 93 R HA -0.055 4.284 4.340 -0.001 0.000 0.230 93 R C 1.826 178.109 176.300 -0.028 0.000 1.111 93 R CA 1.315 57.377 56.100 -0.065 0.000 0.976 93 R CB -0.303 29.951 30.300 -0.077 0.000 0.870 93 R HN 0.241 8.511 8.270 -0.000 0.000 0.445 94 A N -0.251 122.538 122.820 -0.052 0.000 2.252 94 A HA 0.254 4.574 4.320 -0.001 0.000 0.207 94 A C 1.361 179.074 177.584 0.214 0.000 1.194 94 A CA 0.554 52.628 52.037 0.061 0.000 0.809 94 A CB -0.551 18.474 19.000 0.042 0.000 0.814 94 A HN 0.661 8.811 8.150 -0.000 0.000 0.482 95 G N -1.874 107.030 108.800 0.174 0.000 2.141 95 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.242 95 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.242 95 G C -0.020 175.058 174.900 0.297 0.000 0.982 95 G CA 0.015 45.232 45.100 0.195 0.000 0.662 95 G HN 0.258 8.548 8.290 -0.000 0.000 0.527 96 F N 0.990 120.950 119.950 0.016 0.000 2.539 96 F HA 0.419 4.946 4.527 -0.000 0.000 0.340 96 F C 1.986 177.815 175.800 0.048 0.000 1.185 96 F CA 0.781 58.800 58.000 0.032 0.000 1.333 96 F CB 0.861 39.871 39.000 0.018 0.000 1.152 96 F HN 0.166 8.466 8.300 -0.000 0.000 0.602 97 T N -2.913 111.771 114.554 0.217 0.000 3.084 97 T HA 0.335 4.685 4.350 -0.001 0.000 0.270 97 T C 0.064 174.893 174.700 0.214 0.000 1.008 97 T CA -0.026 62.175 62.100 0.167 0.000 0.900 97 T CB -0.044 68.886 68.868 0.103 0.000 1.084 97 T HN 0.441 8.681 8.240 -0.000 0.000 0.538 98 S N 0.784 116.657 115.700 0.289 0.000 2.592 98 S HA 0.619 5.089 4.470 -0.001 0.000 0.275 98 S C -1.136 173.680 174.600 0.360 0.000 1.169 98 S CA -0.446 57.983 58.200 0.382 0.000 0.958 98 S CB 1.361 64.858 63.200 0.495 0.000 1.095 98 S HN 0.878 9.188 8.310 -0.000 0.000 0.471 99 V N 2.656 122.704 119.914 0.223 0.000 2.962 99 V HA 0.887 5.007 4.120 -0.001 0.000 0.313 99 V C -0.766 175.335 176.094 0.013 0.000 1.099 99 V CA -0.814 61.516 62.300 0.050 0.000 0.971 99 V CB 2.144 33.958 31.823 -0.014 0.000 1.028 99 V HN 0.897 9.087 8.190 -0.000 0.000 0.430 100 M N 4.475 124.033 119.600 -0.071 0.000 2.322 100 M HA 0.634 5.113 4.480 -0.001 0.000 0.286 100 M C -2.381 173.894 176.300 -0.041 0.000 1.111 100 M CA -0.459 54.826 55.300 -0.024 0.000 0.941 100 M CB 2.020 34.657 32.600 0.061 0.000 1.671 100 M HN 1.025 9.315 8.290 -0.000 0.000 0.470 101 I N 3.678 124.240 120.570 -0.014 0.000 2.474 101 I HA 0.405 4.575 4.170 -0.001 0.000 0.294 101 I C -1.264 174.883 176.117 0.049 0.000 1.005 101 I CA -0.269 61.041 61.300 0.016 0.000 1.113 101 I CB 1.606 39.620 38.000 0.023 0.000 1.289 101 I HN 0.670 8.880 8.210 -0.000 0.000 0.436 102 D N 7.382 127.840 120.400 0.096 0.000 2.392 102 D HA 0.334 4.974 4.640 -0.001 0.000 0.228 102 D C -0.486 175.943 176.300 0.215 0.000 1.074 102 D CA -0.222 53.874 54.000 0.159 0.000 0.838 102 D CB 0.929 41.876 40.800 0.245 0.000 1.067 102 D HN 0.324 8.694 8.370 -0.000 0.000 0.511 103 K N 1.921 122.388 120.400 0.111 0.000 2.706 103 K HA 0.078 4.398 4.320 -0.001 0.000 0.203 103 K C 1.091 177.610 176.600 -0.136 0.000 1.102 103 K CA -0.011 56.221 56.287 -0.092 0.000 1.058 103 K CB 0.498 32.937 32.500 -0.102 0.000 0.779 103 K HN 0.388 8.638 8.250 -0.000 0.000 0.483 104 S N -0.241 115.495 115.700 0.059 0.000 2.507 104 S HA -0.148 4.322 4.470 -0.001 0.000 0.235 104 S C 1.512 176.147 174.600 0.059 0.000 0.988 104 S CA 0.948 59.157 58.200 0.016 0.000 0.944 104 S CB -0.693 62.547 63.200 0.068 0.000 0.762 104 S HN 0.601 8.911 8.310 -0.000 0.000 0.526 105 H N -0.699 118.375 119.070 0.006 0.000 2.553 105 H HA 0.426 4.982 4.556 -0.000 0.000 0.265 105 H C 0.615 175.949 175.328 0.009 0.000 0.964 105 H CA -0.214 55.839 56.048 0.008 0.000 1.156 105 H CB 0.007 29.776 29.762 0.010 0.000 1.411 105 H HN 0.244 8.524 8.280 -0.000 0.000 0.558 106 E N 2.065 122.066 120.200 -0.331 0.000 2.322 106 E HA 0.059 4.409 4.350 -0.001 0.000 0.257 106 E C -0.130 176.418 176.600 -0.087 0.000 1.155 106 E CA -0.476 55.792 56.400 -0.220 0.000 0.936 106 E CB 0.713 30.248 29.700 -0.275 0.000 1.130 106 E HN 0.521 8.881 8.360 -0.000 0.000 0.465 107 D N -0.578 119.801 120.400 -0.034 0.000 2.360 107 D HA -0.066 4.574 4.640 -0.001 0.000 0.242 107 D C 0.857 177.191 176.300 0.057 0.000 1.184 107 D CA -0.394 53.625 54.000 0.032 0.000 0.930 107 D CB 0.354 41.182 40.800 0.047 0.000 1.161 107 D HN 0.338 8.708 8.370 -0.000 0.000 0.447 108 F N 0.361 120.294 119.950 -0.030 0.000 2.115 108 F HA -0.231 4.295 4.527 -0.001 0.000 0.300 108 F C 2.105 177.929 175.800 0.039 0.000 1.092 108 F CA 1.761 59.755 58.000 -0.010 0.000 1.245 108 F CB 0.109 39.106 39.000 -0.006 0.000 0.995 108 F HN 0.288 8.588 8.300 -0.000 0.000 0.481 109 E N -0.647 119.686 120.200 0.221 0.000 2.204 109 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 109 E C 2.245 178.854 176.600 0.015 0.000 0.989 109 E CA 1.538 58.014 56.400 0.126 0.000 0.824 109 E CB -0.708 29.061 29.700 0.114 0.000 0.756 109 E HN 0.397 8.757 8.360 -0.000 0.000 0.477 110 T N 1.394 115.944 114.554 -0.007 0.000 2.896 110 T HA -0.079 4.271 4.350 -0.001 0.000 0.263 110 T C 1.710 176.371 174.700 -0.064 0.000 1.050 110 T CA 0.961 63.037 62.100 -0.041 0.000 1.140 110 T CB -0.124 68.713 68.868 -0.051 0.000 0.877 110 T HN 0.058 8.298 8.240 -0.000 0.000 0.457 111 N N 1.321 119.969 118.700 -0.087 0.000 2.058 111 N HA -0.092 4.648 4.740 -0.001 0.000 0.191 111 N C 1.878 177.401 175.510 0.022 0.000 1.037 111 N CA 1.106 54.124 53.050 -0.053 0.000 0.848 111 N CB -0.694 37.703 38.487 -0.150 0.000 1.021 111 N HN 0.163 8.543 8.380 -0.000 0.000 0.422 112 V N 1.548 121.433 119.914 -0.047 0.000 2.255 112 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 112 V C 2.696 178.722 176.094 -0.114 0.000 1.051 112 V CA 2.108 64.338 62.300 -0.117 0.000 1.018 112 V CB -0.604 31.134 31.823 -0.141 0.000 0.641 112 V HN 0.409 8.599 8.190 -0.000 0.000 0.445 113 R N -0.022 120.432 120.500 -0.076 0.000 2.073 113 R HA -0.247 4.093 4.340 -0.001 0.000 0.234 113 R C 2.303 178.551 176.300 -0.087 0.000 1.134 113 R CA 2.237 58.291 56.100 -0.076 0.000 0.952 113 R CB -0.254 30.011 30.300 -0.058 0.000 0.850 113 R HN 0.547 8.817 8.270 -0.000 0.000 0.433 114 E N -0.360 119.798 120.200 -0.070 0.000 2.072 114 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 114 E C 1.717 178.290 176.600 -0.046 0.000 0.985 114 E CA 2.124 58.491 56.400 -0.054 0.000 0.801 114 E CB -0.116 29.562 29.700 -0.036 0.000 0.750 114 E HN 0.325 8.685 8.360 -0.000 0.000 0.452 115 T N 0.659 115.175 114.554 -0.063 0.000 2.737 115 T HA -0.112 4.238 4.350 -0.001 0.000 0.265 115 T C 1.815 176.422 174.700 -0.154 0.000 1.038 115 T CA 1.045 63.085 62.100 -0.101 0.000 1.144 115 T CB -0.193 68.578 68.868 -0.161 0.000 0.866 115 T HN 0.025 8.265 8.240 -0.000 0.000 0.434 116 R N 1.311 121.705 120.500 -0.176 0.000 2.105 116 R HA 0.005 4.345 4.340 -0.001 0.000 0.239 116 R C 2.469 178.693 176.300 -0.126 0.000 1.135 116 R CA 1.353 57.349 56.100 -0.173 0.000 0.967 116 R CB -0.446 29.762 30.300 -0.154 0.000 0.861 116 R HN 0.345 8.615 8.270 -0.000 0.000 0.442 117 R N -0.133 120.308 120.500 -0.097 0.000 2.096 117 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 117 R C 2.176 178.515 176.300 0.066 0.000 1.127 117 R CA 1.389 57.446 56.100 -0.072 0.000 0.968 117 R CB -0.061 30.128 30.300 -0.185 0.000 0.861 117 R HN 0.055 8.325 8.270 -0.000 0.000 0.440 118 V N 0.120 120.072 119.914 0.063 0.000 2.358 118 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 118 V C 2.330 178.372 176.094 -0.088 0.000 1.047 118 V CA 1.419 63.753 62.300 0.056 0.000 1.035 118 V CB -0.097 31.728 31.823 0.004 0.000 0.658 118 V HN 0.172 8.362 8.190 -0.000 0.000 0.452 119 V N -0.051 119.747 119.914 -0.194 0.000 2.287 119 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 119 V C 2.410 178.269 176.094 -0.391 0.000 1.053 119 V CA 2.262 64.312 62.300 -0.417 0.000 1.027 119 V CB -0.647 30.913 31.823 -0.438 0.000 0.646 119 V HN 0.619 8.809 8.190 -0.000 0.000 0.447 120 E N 0.073 120.164 120.200 -0.182 0.000 2.077 120 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 120 E C 2.313 178.906 176.600 -0.011 0.000 0.989 120 E CA 1.385 57.740 56.400 -0.075 0.000 0.800 120 E CB -0.360 29.318 29.700 -0.037 0.000 0.746 120 E HN 0.613 8.973 8.360 -0.000 0.000 0.452 121 A N 1.344 124.178 122.820 0.023 0.000 1.873 121 A HA -0.087 4.232 4.320 -0.001 0.000 0.215 121 A C 2.362 179.949 177.584 0.005 0.000 1.186 121 A CA 1.654 53.716 52.037 0.042 0.000 0.616 121 A CB -0.667 18.374 19.000 0.068 0.000 0.823 121 A HN 0.296 8.446 8.150 -0.000 0.000 0.442 122 A N -0.630 122.174 122.820 -0.027 0.000 1.858 122 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 122 A C 1.934 179.597 177.584 0.131 0.000 1.190 122 A CA 1.599 53.647 52.037 0.019 0.000 0.617 122 A CB -1.177 17.817 19.000 -0.011 0.000 0.827 122 A HN 0.744 8.894 8.150 -0.000 0.000 0.443 123 H N -0.775 118.290 119.070 -0.007 0.000 2.457 123 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 123 H C 2.330 177.660 175.328 0.002 0.000 1.092 123 H CA 0.440 56.486 56.048 -0.003 0.000 1.309 123 H CB 0.029 29.783 29.762 -0.013 0.000 1.382 123 H HN 0.577 8.857 8.280 -0.000 0.000 0.535 124 A N 0.991 123.885 122.820 0.124 0.000 2.067 124 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 124 A C 1.989 179.605 177.584 0.053 0.000 1.158 124 A CA 1.464 53.543 52.037 0.070 0.000 0.661 124 A CB -0.219 18.811 19.000 0.049 0.000 0.801 124 A HN 0.305 8.455 8.150 -0.000 0.000 0.452 125 V N -4.660 115.289 119.914 0.058 0.000 3.006 125 V HA 0.606 4.726 4.120 -0.001 0.000 0.357 125 V C 0.978 177.103 176.094 0.053 0.000 1.377 125 V CA 0.172 62.498 62.300 0.045 0.000 1.198 125 V CB -0.831 31.011 31.823 0.031 0.000 1.216 125 V HN 1.296 9.486 8.190 -0.000 0.000 0.520 126 G N 0.403 109.237 108.800 0.057 0.000 2.179 126 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.257 126 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.257 126 G C 0.031 174.972 174.900 0.070 0.000 1.010 126 G CA 0.402 45.529 45.100 0.044 0.000 0.736 126 G HN 0.923 9.213 8.290 -0.000 0.000 0.513 127 V N 1.197 121.178 119.914 0.112 0.000 2.483 127 V HA 0.730 4.850 4.120 -0.001 0.000 0.295 127 V C 0.939 177.160 176.094 0.211 0.000 1.035 127 V CA -0.026 62.359 62.300 0.141 0.000 0.896 127 V CB 1.712 33.608 31.823 0.122 0.000 0.986 127 V HN 0.656 8.846 8.190 -0.000 0.000 0.447 128 T N 1.778 116.453 114.554 0.202 0.000 2.918 128 T HA 0.738 5.087 4.350 -0.001 0.000 0.283 128 T C -0.354 174.398 174.700 0.085 0.000 1.001 128 T CA -0.607 61.623 62.100 0.217 0.000 1.041 128 T CB 1.844 70.881 68.868 0.282 0.000 1.028 128 T HN 0.908 9.148 8.240 -0.000 0.000 0.511 129 V N -0.251 119.565 119.914 -0.162 0.000 2.876 129 V HA 0.680 4.800 4.120 -0.001 0.000 0.312 129 V C -0.831 174.815 176.094 -0.746 0.000 1.085 129 V CA -0.984 61.120 62.300 -0.326 0.000 0.945 129 V CB 1.840 33.539 31.823 -0.205 0.000 1.017 129 V HN 1.185 9.375 8.190 -0.000 0.000 0.428 130 E N 3.459 123.389 120.200 -0.450 0.000 2.191 130 E HA 0.776 5.125 4.350 -0.001 0.000 0.278 130 E C -0.477 176.068 176.600 -0.091 0.000 0.972 130 E CA -0.414 55.815 56.400 -0.286 0.000 0.804 130 E CB 1.853 31.666 29.700 0.188 0.000 1.110 130 E HN 1.213 9.573 8.360 -0.000 0.000 0.394 131 A N 3.887 126.685 122.820 -0.037 0.000 2.386 131 A HA 0.571 4.891 4.320 -0.001 0.000 0.308 131 A C -1.009 176.661 177.584 0.144 0.000 1.128 131 A CA -0.649 51.433 52.037 0.076 0.000 0.789 131 A CB 1.649 20.694 19.000 0.073 0.000 1.325 131 A HN 0.726 8.876 8.150 -0.000 0.000 0.437 132 E N 0.320 120.628 120.200 0.180 0.000 2.260 132 E HA 0.503 4.852 4.350 -0.001 0.000 0.266 132 E C -2.226 174.306 176.600 -0.114 0.000 0.887 132 E CA -0.545 55.882 56.400 0.045 0.000 0.777 132 E CB 1.599 31.331 29.700 0.052 0.000 1.205 132 E HN 0.530 8.890 8.360 -0.000 0.000 0.414 133 L N 4.568 125.656 121.223 -0.226 0.000 2.313 133 L HA 0.702 5.042 4.340 -0.001 0.000 0.283 133 L C 0.216 176.987 176.870 -0.165 0.000 1.013 133 L CA 0.080 54.674 54.840 -0.409 0.000 0.816 133 L CB 1.513 43.261 42.059 -0.517 0.000 1.236 133 L HN 0.681 8.911 8.230 -0.000 0.000 0.419 134 G N 4.598 113.332 108.800 -0.110 0.000 3.226 134 G HA2 0.212 4.172 3.960 -0.001 0.000 0.190 134 G HA3 0.212 4.172 3.960 -0.001 0.000 0.190 134 G C 0.013 174.908 174.900 -0.009 0.000 1.988 134 G CA -0.262 44.826 45.100 -0.019 0.000 0.859 134 G HN 0.770 9.060 8.290 -0.000 0.000 0.631 135 R N -0.603 119.910 120.500 0.022 0.000 2.822 135 R HA 0.407 4.747 4.340 -0.001 0.000 0.277 135 R C -0.131 176.187 176.300 0.030 0.000 1.102 135 R CA -0.690 55.432 56.100 0.036 0.000 1.207 135 R CB 0.112 30.446 30.300 0.055 0.000 1.139 135 R HN 0.260 8.530 8.270 -0.000 0.000 0.557 136 L N 1.481 122.728 121.223 0.040 0.000 2.500 136 L HA 0.145 4.484 4.340 -0.001 0.000 0.272 136 L C 0.792 177.682 176.870 0.033 0.000 1.149 136 L CA 0.762 55.626 54.840 0.039 0.000 0.897 136 L CB 0.775 42.875 42.059 0.068 0.000 1.178 136 L HN 0.876 9.106 8.230 -0.000 0.000 0.473 137 A N 4.120 126.953 122.820 0.022 0.000 2.067 137 A HA 0.318 4.638 4.320 -0.001 0.000 0.217 137 A C 1.486 179.049 177.584 -0.035 0.000 1.156 137 A CA 0.561 52.610 52.037 0.020 0.000 0.683 137 A CB -0.815 18.227 19.000 0.070 0.000 0.808 137 A HN 1.635 9.785 8.150 -0.000 0.000 0.455 138 G N 0.171 108.941 108.800 -0.051 0.000 2.298 138 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.287 138 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.287 138 G C 0.589 175.433 174.900 -0.093 0.000 1.075 138 G CA 0.495 45.568 45.100 -0.045 0.000 0.960 138 G HN 1.230 9.520 8.290 -0.000 0.000 0.502 139 I N -2.864 117.596 120.570 -0.184 0.000 3.228 139 I HA 0.289 4.459 4.170 -0.001 0.000 0.279 139 I C 1.631 177.662 176.117 -0.144 0.000 1.221 139 I CA 1.128 62.298 61.300 -0.217 0.000 1.458 139 I CB 0.216 37.946 38.000 -0.450 0.000 1.105 139 I HN 0.241 8.451 8.210 -0.000 0.000 0.445 140 E N 2.023 122.158 120.200 -0.109 0.000 2.569 140 E HA 0.012 4.362 4.350 -0.001 0.000 0.205 140 E C -0.397 176.196 176.600 -0.011 0.000 1.006 140 E CA -0.123 56.242 56.400 -0.058 0.000 0.985 140 E CB 0.031 29.697 29.700 -0.057 0.000 1.060 140 E HN 0.373 8.733 8.360 -0.000 0.000 0.460 141 E N 0.747 120.940 120.200 -0.011 0.000 2.389 141 E HA -0.230 4.120 4.350 -0.001 0.000 0.243 141 E C -0.767 175.853 176.600 0.033 0.000 1.154 141 E CA 0.961 57.361 56.400 0.001 0.000 0.723 141 E CB -2.607 27.088 29.700 -0.008 0.000 1.261 141 E HN 0.675 9.035 8.360 -0.000 0.000 0.390 142 H N -1.309 117.739 119.070 -0.037 0.000 2.502 142 H HA 0.550 5.106 4.556 -0.001 0.000 0.327 142 H C -0.479 174.837 175.328 -0.020 0.000 1.099 142 H CA -0.671 55.361 56.048 -0.026 0.000 1.323 142 H CB 0.896 30.642 29.762 -0.028 0.000 1.450 142 H HN -0.038 8.242 8.280 -0.000 0.000 0.502 143 V N 4.708 124.228 119.914 -0.656 0.000 2.370 143 V HA 0.410 4.529 4.120 -0.001 0.000 0.279 143 V C 0.343 176.098 176.094 -0.565 0.000 1.029 143 V CA -0.535 61.501 62.300 -0.438 0.000 0.870 143 V CB 0.746 32.423 31.823 -0.244 0.000 0.984 143 V HN 1.078 9.268 8.190 -0.000 0.000 0.451 144 A N 4.532 127.200 122.820 -0.254 0.000 2.537 144 A HA 0.280 4.600 4.320 -0.001 0.000 0.260 144 A C 1.279 178.822 177.584 -0.069 0.000 1.082 144 A CA 0.392 52.378 52.037 -0.086 0.000 0.765 144 A CB 0.271 19.276 19.000 0.009 0.000 1.019 144 A HN 1.477 9.627 8.150 -0.000 0.000 0.507 145 V N 0.076 119.975 119.914 -0.026 0.000 2.970 145 V HA 0.129 4.248 4.120 -0.001 0.000 0.260 145 V C 0.367 176.467 176.094 0.010 0.000 1.100 145 V CA 1.459 63.753 62.300 -0.010 0.000 1.122 145 V CB -1.435 30.401 31.823 0.022 0.000 0.721 145 V HN 0.946 9.136 8.190 -0.000 0.000 0.483 146 D N -2.518 117.899 120.400 0.028 0.000 2.792 146 D HA 0.112 4.752 4.640 -0.001 0.000 0.335 146 D C 0.812 177.144 176.300 0.054 0.000 1.353 146 D CA -0.055 53.966 54.000 0.034 0.000 0.839 146 D CB 0.933 41.754 40.800 0.034 0.000 1.396 146 D HN 0.001 8.371 8.370 -0.000 0.000 0.479 147 E N 0.128 120.366 120.200 0.063 0.000 2.049 147 E HA -0.244 4.106 4.350 -0.001 0.000 0.198 147 E C 1.374 178.055 176.600 0.135 0.000 1.007 147 E CA 1.506 57.960 56.400 0.090 0.000 0.809 147 E CB 0.038 29.794 29.700 0.093 0.000 0.749 147 E HN 0.406 8.766 8.360 -0.000 0.000 0.450 148 K N 0.269 120.761 120.400 0.153 0.000 2.063 148 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 148 K C 1.986 178.648 176.600 0.103 0.000 1.048 148 K CA 1.533 57.919 56.287 0.166 0.000 0.928 148 K CB -0.199 32.390 32.500 0.148 0.000 0.713 148 K HN 0.128 8.378 8.250 -0.000 0.000 0.442 149 D N 0.195 120.652 120.400 0.094 0.000 2.264 149 D HA -0.073 4.567 4.640 -0.001 0.000 0.208 149 D C 1.481 177.840 176.300 0.099 0.000 0.966 149 D CA 0.856 54.915 54.000 0.098 0.000 0.864 149 D CB 0.152 41.029 40.800 0.127 0.000 0.933 149 D HN 0.241 8.611 8.370 -0.000 0.000 0.499 150 A N -0.712 122.163 122.820 0.091 0.000 2.081 150 A HA 0.150 4.470 4.320 -0.001 0.000 0.214 150 A C 2.056 179.691 177.584 0.085 0.000 1.158 150 A CA 0.244 52.329 52.037 0.081 0.000 0.724 150 A CB -0.135 18.905 19.000 0.066 0.000 0.826 150 A HN 0.300 8.450 8.150 -0.000 0.000 0.463 151 L N -0.604 120.685 121.223 0.111 0.000 2.408 151 L HA 0.246 4.586 4.340 -0.001 0.000 0.215 151 L C 0.489 177.410 176.870 0.085 0.000 1.081 151 L CA -0.008 54.913 54.840 0.135 0.000 0.840 151 L CB -0.198 42.021 42.059 0.267 0.000 1.002 151 L HN 0.214 8.444 8.230 -0.000 0.000 0.468 152 L N -0.597 120.643 121.223 0.028 0.000 2.431 152 L HA 0.277 4.617 4.340 -0.001 0.000 0.260 152 L C 0.366 177.220 176.870 -0.026 0.000 1.098 152 L CA -0.535 54.280 54.840 -0.040 0.000 0.800 152 L CB 0.953 42.947 42.059 -0.108 0.000 1.210 152 L HN -0.114 8.116 8.230 -0.000 0.000 0.465 153 T N 1.351 115.873 114.554 -0.053 0.000 2.916 153 T HA 0.004 4.353 4.350 -0.001 0.000 0.303 153 T C 0.169 174.839 174.700 -0.051 0.000 1.025 153 T CA -0.167 61.904 62.100 -0.049 0.000 1.142 153 T CB 0.022 68.852 68.868 -0.064 0.000 0.947 153 T HN 0.447 8.687 8.240 -0.000 0.000 0.544 154 N N 3.723 122.395 118.700 -0.046 0.000 2.434 154 N HA 0.147 4.886 4.740 -0.001 0.000 0.272 154 N C -1.975 173.495 175.510 -0.066 0.000 1.040 154 N CA -2.161 50.840 53.050 -0.083 0.000 0.956 154 N CB 1.756 40.188 38.487 -0.092 0.000 1.108 154 N HN 0.143 8.523 8.380 -0.000 0.000 0.481 155 P HA -0.174 4.246 4.420 -0.000 0.000 0.215 155 P C 0.926 178.210 177.300 -0.027 0.000 1.163 155 P CA 1.379 64.449 63.100 -0.049 0.000 0.894 155 P CB 0.298 31.961 31.700 -0.062 0.000 0.791 156 E N 0.168 120.336 120.200 -0.052 0.000 2.110 156 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 156 E C 1.818 178.418 176.600 0.000 0.000 0.988 156 E CA 1.541 57.923 56.400 -0.030 0.000 0.804 156 E CB -0.726 28.941 29.700 -0.054 0.000 0.745 156 E HN 0.308 8.668 8.360 -0.000 0.000 0.458 157 E N -0.439 119.756 120.200 -0.008 0.000 2.152 157 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 157 E C 1.996 178.716 176.600 0.200 0.000 0.983 157 E CA 0.693 57.118 56.400 0.041 0.000 0.818 157 E CB -0.127 29.567 29.700 -0.010 0.000 0.758 157 E HN 0.376 8.736 8.360 -0.000 0.000 0.467 158 A N 1.835 124.730 122.820 0.125 0.000 1.877 158 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 158 A C 2.128 179.830 177.584 0.197 0.000 1.186 158 A CA 1.463 53.597 52.037 0.162 0.000 0.620 158 A CB -0.453 18.591 19.000 0.073 0.000 0.822 158 A HN 0.074 8.224 8.150 -0.000 0.000 0.443 159 R N -0.224 120.349 120.500 0.121 0.000 2.080 159 R HA -0.120 4.219 4.340 -0.001 0.000 0.236 159 R C 2.010 178.389 176.300 0.132 0.000 1.137 159 R CA 1.936 58.094 56.100 0.097 0.000 0.943 159 R CB -0.442 29.890 30.300 0.053 0.000 0.846 159 R HN 0.558 8.828 8.270 -0.000 0.000 0.431 160 I N 0.253 120.924 120.570 0.168 0.000 2.208 160 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 160 I C 2.264 178.575 176.117 0.324 0.000 1.097 160 I CA 1.197 62.623 61.300 0.210 0.000 1.363 160 I CB -0.401 37.715 38.000 0.193 0.000 1.051 160 I HN 0.196 8.406 8.210 -0.000 0.000 0.413 161 F N 1.375 121.481 119.950 0.261 0.000 2.095 161 F HA -0.274 4.252 4.527 -0.001 0.000 0.298 161 F C 2.533 178.339 175.800 0.010 0.000 1.104 161 F CA 1.739 59.810 58.000 0.119 0.000 1.232 161 F CB -0.235 38.798 39.000 0.056 0.000 0.987 161 F HN -0.065 8.235 8.300 -0.000 0.000 0.475 162 M N 0.138 119.755 119.600 0.028 0.000 2.117 162 M HA -0.207 4.273 4.480 -0.001 0.000 0.262 162 M C 2.248 178.485 176.300 -0.105 0.000 1.065 162 M CA 1.853 57.088 55.300 -0.108 0.000 1.114 162 M CB -1.485 31.119 32.600 0.007 0.000 1.361 162 M HN 0.374 8.664 8.290 -0.000 0.000 0.408 163 E N 0.137 120.322 120.200 -0.025 0.000 2.106 163 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 163 E C 2.157 178.730 176.600 -0.044 0.000 0.984 163 E CA 0.993 57.382 56.400 -0.018 0.000 0.806 163 E CB 0.160 29.872 29.700 0.020 0.000 0.750 163 E HN 0.364 8.724 8.360 -0.000 0.000 0.458 164 R N -0.197 120.272 120.500 -0.050 0.000 2.090 164 R HA -0.051 4.288 4.340 -0.001 0.000 0.228 164 R C 2.637 178.837 176.300 -0.167 0.000 1.110 164 R CA 1.749 57.809 56.100 -0.067 0.000 0.973 164 R CB -0.398 29.906 30.300 0.006 0.000 0.869 164 R HN 0.391 8.661 8.270 -0.000 0.000 0.440 165 T N -3.434 110.931 114.554 -0.316 0.000 2.976 165 T HA 0.099 4.449 4.350 -0.001 0.000 0.257 165 T C 1.536 176.077 174.700 -0.264 0.000 1.051 165 T CA 0.961 62.834 62.100 -0.379 0.000 1.141 165 T CB 0.193 68.647 68.868 -0.689 0.000 0.881 165 T HN 0.380 8.620 8.240 -0.000 0.000 0.461 166 G N 1.708 110.384 108.800 -0.206 0.000 2.143 166 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.249 166 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.249 166 G C 0.339 175.176 174.900 -0.104 0.000 0.981 166 G CA 0.093 45.129 45.100 -0.108 0.000 0.665 166 G HN 1.188 9.478 8.290 -0.000 0.000 0.528 167 A N -0.143 122.553 122.820 -0.206 0.000 2.492 167 A HA 0.482 4.802 4.320 -0.001 0.000 0.236 167 A C 1.279 178.797 177.584 -0.110 0.000 1.078 167 A CA 1.005 52.916 52.037 -0.209 0.000 0.773 167 A CB 0.295 19.135 19.000 -0.267 0.000 1.023 167 A HN 0.272 8.422 8.150 -0.000 0.000 0.504 168 D N -0.858 119.446 120.400 -0.160 0.000 2.216 168 D HA 0.109 4.749 4.640 -0.001 0.000 0.208 168 D C -0.284 176.069 176.300 0.088 0.000 0.960 168 D CA 1.570 55.543 54.000 -0.045 0.000 0.861 168 D CB 0.072 40.870 40.800 -0.003 0.000 0.985 168 D HN 0.698 9.068 8.370 -0.000 0.000 0.493 169 Y N -0.655 119.651 120.300 0.010 0.000 2.562 169 Y HA 0.602 5.152 4.550 -0.000 0.000 0.345 169 Y C -1.007 174.892 175.900 -0.000 0.000 1.045 169 Y CA -1.614 56.480 58.100 -0.011 0.000 1.028 169 Y CB 1.505 39.945 38.460 -0.033 0.000 1.297 169 Y HN -0.302 7.978 8.280 -0.000 0.000 0.463 170 L N 2.403 123.707 121.223 0.135 0.000 2.381 170 L HA 0.915 5.255 4.340 -0.001 0.000 0.274 170 L C -0.708 176.162 176.870 0.001 0.000 0.988 170 L CA -0.824 54.060 54.840 0.074 0.000 0.824 170 L CB 1.611 43.724 42.059 0.089 0.000 1.263 170 L HN 0.886 9.116 8.230 -0.000 0.000 0.410 171 A N 5.004 127.785 122.820 -0.066 0.000 2.328 171 A HA 0.661 4.981 4.320 -0.001 0.000 0.284 171 A C -0.557 176.906 177.584 -0.201 0.000 1.160 171 A CA -0.122 51.753 52.037 -0.271 0.000 0.818 171 A CB 0.388 19.020 19.000 -0.615 0.000 1.087 171 A HN 1.058 9.208 8.150 -0.000 0.000 0.504 172 V N -0.134 119.662 119.914 -0.198 0.000 2.680 172 V HA 0.856 4.976 4.120 -0.001 0.000 0.309 172 V C 0.243 176.255 176.094 -0.138 0.000 1.052 172 V CA -0.621 61.598 62.300 -0.135 0.000 0.908 172 V CB 1.312 33.074 31.823 -0.101 0.000 1.001 172 V HN 1.418 9.608 8.190 -0.000 0.000 0.431 173 A N 4.970 127.731 122.820 -0.099 0.000 2.343 173 A HA 0.705 5.024 4.320 -0.001 0.000 0.305 173 A C 0.424 177.907 177.584 -0.168 0.000 1.308 173 A CA -0.194 51.791 52.037 -0.088 0.000 0.949 173 A CB -0.515 18.468 19.000 -0.028 0.000 1.148 173 A HN 1.643 9.793 8.150 -0.000 0.000 0.545 174 I N -0.146 120.278 120.570 -0.244 0.000 3.813 174 I HA 0.609 4.778 4.170 -0.001 0.000 0.323 174 I C 0.612 176.338 176.117 -0.653 0.000 1.536 174 I CA 0.161 61.245 61.300 -0.361 0.000 1.083 174 I CB 0.339 38.163 38.000 -0.293 0.000 1.265 174 I HN 0.686 8.896 8.210 -0.000 0.000 0.507 175 G N 1.542 109.929 108.800 -0.689 0.000 2.813 175 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.194 175 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.194 175 G C 0.429 175.105 174.900 -0.374 0.000 1.010 175 G CA -0.005 44.463 45.100 -1.053 0.000 0.771 175 G HN 0.539 8.829 8.290 -0.000 0.000 0.485 176 T N 0.606 115.072 114.554 -0.147 0.000 2.856 176 T HA 0.470 4.820 4.350 -0.001 0.000 0.306 176 T C 0.980 175.843 174.700 0.272 0.000 1.062 176 T CA 0.815 62.959 62.100 0.073 0.000 1.083 176 T CB 1.433 70.332 68.868 0.051 0.000 0.984 176 T HN 1.301 9.541 8.240 -0.000 0.000 0.542 177 S N 1.229 117.079 115.700 0.251 0.000 3.919 177 S HA 0.234 4.704 4.470 -0.001 0.000 0.245 177 S C -0.410 174.320 174.600 0.216 0.000 1.344 177 S CA -0.691 57.641 58.200 0.220 0.000 0.896 177 S CB -1.049 62.221 63.200 0.117 0.000 1.557 177 S HN 0.993 9.303 8.310 -0.000 0.000 0.468 178 H N 0.742 119.894 119.070 0.137 0.000 2.806 178 H HA 0.604 5.159 4.556 -0.000 0.000 0.367 178 H C 0.735 176.136 175.328 0.121 0.000 1.136 178 H CA 0.821 56.934 56.048 0.108 0.000 1.178 178 H CB 1.160 31.002 29.762 0.134 0.000 1.718 178 H HN 0.735 9.015 8.280 -0.000 0.000 0.540 179 G N 1.870 110.474 108.800 -0.327 0.000 2.574 179 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.282 179 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.282 179 G C 1.310 176.212 174.900 0.003 0.000 1.257 179 G CA 0.666 45.687 45.100 -0.132 0.000 0.956 179 G HN 1.365 9.655 8.290 -0.000 0.000 0.560 180 A N -1.672 121.183 122.820 0.058 0.000 2.054 180 A HA -0.099 4.221 4.320 -0.001 0.000 0.223 180 A C 2.105 179.765 177.584 0.127 0.000 1.169 180 A CA 2.812 54.898 52.037 0.082 0.000 0.655 180 A CB -0.430 18.627 19.000 0.095 0.000 0.812 180 A HN 1.502 9.652 8.150 -0.000 0.000 0.462 181 Y N -0.498 119.821 120.300 0.032 0.000 2.482 181 Y HA 0.232 4.781 4.550 -0.001 0.000 0.270 181 Y C 0.909 176.839 175.900 0.049 0.000 1.152 181 Y CA -0.012 58.118 58.100 0.050 0.000 1.292 181 Y CB 0.055 38.552 38.460 0.063 0.000 1.070 181 Y HN 0.141 8.421 8.280 -0.000 0.000 0.528 182 K N 0.773 121.167 120.400 -0.011 0.000 2.451 182 K HA 0.112 4.431 4.320 -0.001 0.000 0.280 182 K C 0.972 177.487 176.600 -0.141 0.000 1.020 182 K CA 0.999 57.248 56.287 -0.062 0.000 1.008 182 K CB -0.004 32.476 32.500 -0.033 0.000 0.917 182 K HN 0.556 8.806 8.250 -0.000 0.000 0.478 183 G N 3.489 112.198 108.800 -0.152 0.000 2.225 183 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.267 183 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.267 183 G C 0.364 175.149 174.900 -0.190 0.000 1.024 183 G CA 0.737 45.755 45.100 -0.136 0.000 0.784 183 G HN 0.649 8.939 8.290 -0.000 0.000 0.507 184 K N -0.533 119.646 120.400 -0.368 0.000 2.438 184 K HA 0.533 4.853 4.320 -0.001 0.000 0.206 184 K C 0.985 177.366 176.600 -0.364 0.000 1.081 184 K CA 0.848 56.922 56.287 -0.354 0.000 1.053 184 K CB 0.918 33.186 32.500 -0.386 0.000 0.908 184 K HN 1.305 9.555 8.250 -0.000 0.000 0.556 185 G N 0.570 109.156 108.800 -0.356 0.000 2.328 185 G HA2 0.146 4.105 3.960 -0.001 0.000 0.299 185 G HA3 0.146 4.105 3.960 -0.001 0.000 0.299 185 G C -1.712 173.205 174.900 0.028 0.000 1.435 185 G CA -1.251 43.790 45.100 -0.099 0.000 0.865 185 G HN 0.039 8.329 8.290 -0.000 0.000 0.601 186 R N 0.051 120.628 120.500 0.128 0.000 2.623 186 R HA 0.328 4.668 4.340 -0.001 0.000 0.271 186 R C -2.742 173.772 176.300 0.357 0.000 1.043 186 R CA -1.468 54.737 56.100 0.175 0.000 1.083 186 R CB -0.791 29.584 30.300 0.125 0.000 0.974 186 R HN 0.213 8.483 8.270 -0.000 0.000 0.436 187 P HA 0.128 4.548 4.420 -0.000 0.000 0.267 187 P C -0.895 176.629 177.300 0.373 0.000 1.205 187 P CA 0.164 63.463 63.100 0.332 0.000 0.765 187 P CB 0.198 32.017 31.700 0.198 0.000 0.828 188 F N 1.527 121.529 119.950 0.088 0.000 2.923 188 F HA 0.701 5.227 4.527 -0.001 0.000 0.323 188 F C -1.793 173.966 175.800 -0.069 0.000 1.189 188 F CA -1.244 56.768 58.000 0.021 0.000 0.930 188 F CB 1.071 40.081 39.000 0.017 0.000 1.414 188 F HN -0.078 8.222 8.300 -0.000 0.000 0.496 189 I N 2.126 122.472 120.570 -0.373 0.000 2.439 189 I HA 0.178 4.348 4.170 -0.001 0.000 0.283 189 I C -0.963 174.762 176.117 -0.652 0.000 1.023 189 I CA -0.269 60.624 61.300 -0.678 0.000 1.100 189 I CB 1.000 38.637 38.000 -0.604 0.000 1.238 189 I HN 0.632 8.842 8.210 -0.000 0.000 0.445 190 D N 6.037 126.052 120.400 -0.642 0.000 2.545 190 D HA 0.026 4.666 4.640 -0.001 0.000 0.227 190 D C 1.461 177.657 176.300 -0.173 0.000 1.150 190 D CA 0.143 54.050 54.000 -0.155 0.000 1.046 190 D CB 0.277 41.029 40.800 -0.081 0.000 1.098 190 D HN 0.319 8.689 8.370 -0.000 0.000 0.502 191 H N 1.956 121.034 119.070 0.014 0.000 2.353 191 H HA -0.189 4.367 4.556 -0.000 0.000 0.298 191 H C 1.814 177.141 175.328 -0.000 0.000 1.103 191 H CA 1.646 57.694 56.048 -0.001 0.000 1.293 191 H CB -0.202 29.570 29.762 0.016 0.000 1.372 191 H HN 0.521 8.801 8.280 -0.000 0.000 0.501 192 A N 1.299 124.198 122.820 0.132 0.000 1.908 192 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 192 A C 2.541 180.145 177.584 0.032 0.000 1.181 192 A CA 1.790 53.871 52.037 0.074 0.000 0.627 192 A CB -0.576 18.464 19.000 0.067 0.000 0.818 192 A HN 0.355 8.505 8.150 -0.000 0.000 0.445 193 R N -0.565 119.942 120.500 0.012 0.000 2.075 193 R HA -0.003 4.337 4.340 -0.001 0.000 0.232 193 R C 2.145 178.424 176.300 -0.034 0.000 1.126 193 R CA 1.278 57.365 56.100 -0.022 0.000 0.963 193 R CB -0.370 29.904 30.300 -0.045 0.000 0.858 193 R HN 0.548 8.818 8.270 -0.000 0.000 0.435 194 L N 1.066 122.266 121.223 -0.039 0.000 2.012 194 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 194 L C 2.396 179.260 176.870 -0.009 0.000 1.073 194 L CA 2.056 56.874 54.840 -0.037 0.000 0.748 194 L CB -0.414 41.627 42.059 -0.029 0.000 0.891 194 L HN 0.394 8.624 8.230 -0.000 0.000 0.431 195 E N -0.140 120.069 120.200 0.015 0.000 2.070 195 E HA -0.294 4.056 4.350 -0.001 0.000 0.197 195 E C 2.244 178.844 176.600 -0.000 0.000 1.004 195 E CA 1.588 57.997 56.400 0.014 0.000 0.805 195 E CB -0.006 29.710 29.700 0.026 0.000 0.744 195 E HN 0.440 8.800 8.360 -0.000 0.000 0.451 196 R N 0.055 120.552 120.500 -0.005 0.000 2.081 196 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 196 R C 2.541 178.830 176.300 -0.018 0.000 1.131 196 R CA 1.587 57.678 56.100 -0.014 0.000 0.960 196 R CB -0.379 29.907 30.300 -0.024 0.000 0.856 196 R HN 0.312 8.582 8.270 -0.000 0.000 0.436 197 I N 0.755 121.312 120.570 -0.022 0.000 2.179 197 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 197 I C 2.612 178.723 176.117 -0.010 0.000 1.088 197 I CA 1.321 62.610 61.300 -0.019 0.000 1.357 197 I CB -0.478 37.505 38.000 -0.028 0.000 1.051 197 I HN 0.199 8.409 8.210 -0.000 0.000 0.409 198 A N 0.526 123.338 122.820 -0.012 0.000 2.024 198 A HA -0.243 4.077 4.320 -0.001 0.000 0.220 198 A C 2.402 179.982 177.584 -0.007 0.000 1.164 198 A CA 1.692 53.723 52.037 -0.011 0.000 0.643 198 A CB -0.657 18.335 19.000 -0.013 0.000 0.806 198 A HN 0.372 8.522 8.150 -0.000 0.000 0.451 199 R N -0.688 119.809 120.500 -0.006 0.000 2.153 199 R HA 0.119 4.459 4.340 -0.001 0.000 0.218 199 R C 1.399 177.698 176.300 -0.002 0.000 1.072 199 R CA 0.956 57.053 56.100 -0.004 0.000 0.990 199 R CB -0.159 30.138 30.300 -0.004 0.000 0.889 199 R HN 0.529 8.799 8.270 -0.000 0.000 0.452 200 L N -0.202 121.021 121.223 -0.000 0.000 2.556 200 L HA 0.215 4.555 4.340 -0.001 0.000 0.226 200 L C -0.233 176.644 176.870 0.012 0.000 1.089 200 L CA -0.083 54.761 54.840 0.005 0.000 0.864 200 L CB 1.269 43.331 42.059 0.004 0.000 1.067 200 L HN -0.110 8.120 8.230 -0.000 0.000 0.477 201 V N 1.704 121.624 119.914 0.011 0.000 2.340 201 V HA 0.212 4.332 4.120 -0.001 0.000 0.277 201 V C -1.469 174.630 176.094 0.009 0.000 1.017 201 V CA -0.823 61.487 62.300 0.017 0.000 0.820 201 V CB 1.411 33.251 31.823 0.027 0.000 1.028 201 V HN -0.029 8.161 8.190 -0.000 0.000 0.436 202 P HA 0.003 4.423 4.420 -0.000 0.000 0.229 202 P C 0.716 178.016 177.300 0.001 0.000 1.160 202 P CA 0.539 63.639 63.100 0.000 0.000 0.777 202 P CB 0.544 32.244 31.700 0.000 0.000 0.814 203 A N 2.347 125.176 122.820 0.015 0.000 2.466 203 A HA 0.309 4.629 4.320 -0.001 0.000 0.238 203 A C -1.977 175.620 177.584 0.021 0.000 1.074 203 A CA -1.100 50.957 52.037 0.032 0.000 0.774 203 A CB -1.079 17.954 19.000 0.056 0.000 1.015 203 A HN 0.105 8.255 8.150 -0.000 0.000 0.498 204 P HA 0.198 4.618 4.420 -0.000 0.000 0.268 204 P C -0.754 176.543 177.300 -0.005 0.000 1.205 204 P CA 0.341 63.421 63.100 -0.035 0.000 0.771 204 P CB 0.432 32.068 31.700 -0.106 0.000 0.858 205 L N 2.521 123.716 121.223 -0.048 0.000 2.360 205 L HA 0.498 4.838 4.340 -0.001 0.000 0.271 205 L C 0.315 177.136 176.870 -0.082 0.000 1.057 205 L CA -1.124 53.688 54.840 -0.047 0.000 0.803 205 L CB 1.388 43.412 42.059 -0.059 0.000 1.207 205 L HN 0.114 8.344 8.230 -0.000 0.000 0.445 206 V N 2.861 122.725 119.914 -0.084 0.000 2.628 206 V HA 0.433 4.552 4.120 -0.001 0.000 0.306 206 V C -0.523 175.465 176.094 -0.176 0.000 1.045 206 V CA -0.624 61.608 62.300 -0.113 0.000 0.905 206 V CB 2.289 34.082 31.823 -0.049 0.000 0.997 206 V HN 0.407 8.597 8.190 -0.000 0.000 0.436 207 L N 4.385 125.528 121.223 -0.133 0.000 2.333 207 L HA 0.590 4.929 4.340 -0.001 0.000 0.280 207 L C -0.398 176.485 176.870 0.021 0.000 1.004 207 L CA 0.185 54.951 54.840 -0.123 0.000 0.820 207 L CB 1.128 43.108 42.059 -0.130 0.000 1.247 207 L HN 0.707 8.937 8.230 -0.000 0.000 0.416 208 H N 2.926 121.876 119.070 -0.201 0.000 2.616 208 H HA 0.496 5.051 4.556 -0.001 0.000 0.353 208 H C 0.744 175.882 175.328 -0.317 0.000 1.170 208 H CA -0.693 55.148 56.048 -0.345 0.000 1.212 208 H CB 1.700 31.040 29.762 -0.704 0.000 1.653 208 H HN 0.842 9.122 8.280 -0.000 0.000 0.537 209 G N 0.677 109.379 108.800 -0.162 0.000 2.212 209 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.267 209 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.267 209 G C 0.137 175.058 174.900 0.035 0.000 1.002 209 G CA 0.351 45.453 45.100 0.002 0.000 0.729 209 G HN 0.793 9.083 8.290 -0.000 0.000 0.517 210 A N 0.109 122.936 122.820 0.012 0.000 2.280 210 A HA 0.767 5.087 4.320 -0.001 0.000 0.320 210 A C 0.353 177.974 177.584 0.062 0.000 1.366 210 A CA 0.371 52.429 52.037 0.035 0.000 0.938 210 A CB 0.860 19.869 19.000 0.014 0.000 1.157 210 A HN 0.857 9.007 8.150 -0.000 0.000 0.536 211 S N 1.509 117.252 115.700 0.072 0.000 2.519 211 S HA 0.566 5.036 4.470 -0.001 0.000 0.309 211 S C 0.245 174.890 174.600 0.075 0.000 1.100 211 S CA -0.146 58.101 58.200 0.079 0.000 1.059 211 S CB 1.761 64.998 63.200 0.062 0.000 1.008 211 S HN 1.132 9.442 8.310 -0.000 0.000 0.478 212 A N 2.870 125.736 122.820 0.077 0.000 3.202 212 A HA 0.406 4.726 4.320 -0.001 0.000 0.258 212 A C 0.269 177.868 177.584 0.026 0.000 1.572 212 A CA -0.505 51.559 52.037 0.045 0.000 1.241 212 A CB -0.727 18.295 19.000 0.037 0.000 1.127 212 A HN 0.691 8.841 8.150 -0.000 0.000 0.648 213 V N 2.384 122.317 119.914 0.032 0.000 2.519 213 V HA -0.001 4.119 4.120 -0.001 0.000 0.258 213 V C -2.075 174.028 176.094 0.014 0.000 0.989 213 V CA -0.425 61.890 62.300 0.025 0.000 1.170 213 V CB -0.783 31.058 31.823 0.030 0.000 1.066 213 V HN 0.531 8.721 8.190 -0.000 0.000 0.469 214 P HA 0.149 4.569 4.420 -0.000 0.000 0.267 214 P C -1.904 175.404 177.300 0.013 0.000 1.209 214 P CA -1.164 61.936 63.100 -0.000 0.000 0.763 214 P CB 0.378 32.075 31.700 -0.005 0.000 0.816 215 P HA -0.241 4.179 4.420 -0.000 0.000 0.216 215 P C 1.319 178.638 177.300 0.031 0.000 1.153 215 P CA 1.451 64.567 63.100 0.026 0.000 0.858 215 P CB -0.075 31.638 31.700 0.022 0.000 0.789 216 E N -0.615 119.598 120.200 0.022 0.000 2.331 216 E HA -0.180 4.170 4.350 -0.001 0.000 0.199 216 E C 1.694 178.315 176.600 0.035 0.000 1.008 216 E CA 1.038 57.452 56.400 0.024 0.000 0.843 216 E CB -1.327 28.381 29.700 0.014 0.000 0.761 216 E HN 0.172 8.532 8.360 -0.000 0.000 0.507 217 L N -0.167 121.078 121.223 0.036 0.000 2.145 217 L HA 0.085 4.425 4.340 -0.001 0.000 0.201 217 L C 2.181 179.101 176.870 0.084 0.000 1.075 217 L CA 1.001 55.868 54.840 0.047 0.000 0.773 217 L CB -0.378 41.696 42.059 0.025 0.000 0.936 217 L HN 0.112 8.342 8.230 -0.000 0.000 0.451 218 V N 0.097 120.060 119.914 0.080 0.000 2.332 218 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 218 V C 2.723 178.908 176.094 0.153 0.000 1.055 218 V CA 1.865 64.242 62.300 0.128 0.000 1.038 218 V CB -0.739 31.142 31.823 0.096 0.000 0.651 218 V HN 0.494 8.684 8.190 -0.000 0.000 0.450 219 E N 0.628 120.885 120.200 0.095 0.000 2.058 219 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 219 E C 2.414 179.062 176.600 0.080 0.000 0.997 219 E CA 1.641 58.084 56.400 0.072 0.000 0.801 219 E CB -0.266 29.462 29.700 0.046 0.000 0.746 219 E HN 0.529 8.889 8.360 -0.000 0.000 0.450 220 R N -0.753 119.801 120.500 0.090 0.000 2.127 220 R HA -0.174 4.165 4.340 -0.001 0.000 0.238 220 R C 2.375 178.762 176.300 0.145 0.000 1.134 220 R CA 1.430 57.584 56.100 0.091 0.000 0.975 220 R CB -0.440 29.909 30.300 0.081 0.000 0.865 220 R HN 0.146 8.416 8.270 -0.000 0.000 0.447 221 F N 1.241 121.197 119.950 0.010 0.000 2.146 221 F HA -0.047 4.480 4.527 -0.001 0.000 0.298 221 F C 2.005 177.810 175.800 0.008 0.000 1.096 221 F CA 1.376 59.383 58.000 0.012 0.000 1.275 221 F CB -0.118 38.895 39.000 0.022 0.000 1.008 221 F HN -0.088 8.212 8.300 -0.000 0.000 0.480 222 R N 0.077 120.545 120.500 -0.052 0.000 2.115 222 R HA 0.027 4.366 4.340 -0.001 0.000 0.230 222 R C 2.016 178.241 176.300 -0.125 0.000 1.111 222 R CA 0.964 56.968 56.100 -0.160 0.000 0.976 222 R CB -0.822 29.450 30.300 -0.046 0.000 0.870 222 R HN 0.293 8.563 8.270 -0.000 0.000 0.445 223 A N 1.099 123.887 122.820 -0.055 0.000 2.258 223 A HA -0.040 4.279 4.320 -0.001 0.000 0.206 223 A C 1.461 179.012 177.584 -0.055 0.000 1.222 223 A CA 1.091 53.103 52.037 -0.041 0.000 0.822 223 A CB -0.182 18.813 19.000 -0.008 0.000 0.804 223 A HN 0.365 8.515 8.150 -0.000 0.000 0.483 224 S N -4.200 111.439 115.700 -0.102 0.000 2.817 224 S HA 0.462 4.932 4.470 -0.001 0.000 0.262 224 S C 1.087 175.594 174.600 -0.155 0.000 1.051 224 S CA 0.899 59.040 58.200 -0.098 0.000 1.185 224 S CB 0.155 63.322 63.200 -0.055 0.000 1.152 224 S HN 1.718 10.028 8.310 -0.000 0.000 0.653 225 G N 0.567 109.239 108.800 -0.213 0.000 2.231 225 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.206 225 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.206 225 G C 0.506 175.188 174.900 -0.363 0.000 0.996 225 G CA -0.262 44.705 45.100 -0.221 0.000 0.645 225 G HN 1.124 9.414 8.290 -0.000 0.000 0.498 226 G N 0.236 108.606 108.800 -0.716 0.000 2.442 226 G HA2 0.515 4.474 3.960 -0.001 0.000 0.249 226 G HA3 0.515 4.474 3.960 -0.001 0.000 0.249 226 G C -0.319 174.162 174.900 -0.699 0.000 1.263 226 G CA 0.073 44.390 45.100 -1.306 0.000 0.846 226 G HN 0.420 8.710 8.290 -0.000 0.000 0.555 227 E N 0.389 120.404 120.200 -0.309 0.000 2.199 227 E HA 0.559 4.909 4.350 -0.001 0.000 0.265 227 E C -0.885 175.799 176.600 0.140 0.000 0.882 227 E CA -0.456 55.915 56.400 -0.049 0.000 0.759 227 E CB 2.605 32.285 29.700 -0.034 0.000 1.148 227 E HN 0.420 8.780 8.360 -0.000 0.000 0.412 228 I N 1.246 121.911 120.570 0.158 0.000 2.841 228 I HA 0.464 4.634 4.170 -0.001 0.000 0.298 228 I C 0.293 176.473 176.117 0.106 0.000 1.304 228 I CA -0.594 60.809 61.300 0.172 0.000 1.019 228 I CB 1.639 39.793 38.000 0.255 0.000 1.282 228 I HN 0.677 8.887 8.210 -0.000 0.000 0.432 229 G N 3.721 112.568 108.800 0.079 0.000 2.466 229 G HA2 0.062 4.022 3.960 -0.001 0.000 0.279 229 G HA3 0.062 4.022 3.960 -0.001 0.000 0.279 229 G C -0.181 174.754 174.900 0.058 0.000 1.410 229 G CA -0.240 44.894 45.100 0.057 0.000 1.065 229 G HN 0.788 9.078 8.290 -0.000 0.000 0.547 230 E N -0.184 120.044 120.200 0.047 0.000 2.122 230 E HA 0.495 4.844 4.350 -0.001 0.000 0.288 230 E C 0.483 177.112 176.600 0.049 0.000 1.260 230 E CA -0.363 56.065 56.400 0.047 0.000 1.344 230 E CB 0.062 29.786 29.700 0.040 0.000 1.337 230 E HN 0.534 8.894 8.360 -0.000 0.000 0.484 231 A N 1.794 124.645 122.820 0.052 0.000 2.591 231 A HA 0.171 4.491 4.320 -0.001 0.000 0.244 231 A C 1.221 178.838 177.584 0.055 0.000 1.031 231 A CA 0.669 52.736 52.037 0.051 0.000 0.767 231 A CB 0.296 19.325 19.000 0.047 0.000 0.942 231 A HN 0.758 8.908 8.150 -0.000 0.000 0.514 232 A N 3.412 126.269 122.820 0.061 0.000 1.858 232 A HA 0.528 4.847 4.320 -0.001 0.000 0.215 232 A C 1.725 179.355 177.584 0.077 0.000 1.320 232 A CA 1.422 53.504 52.037 0.074 0.000 0.601 232 A CB -1.136 17.916 19.000 0.087 0.000 0.976 232 A HN 2.929 11.079 8.150 -0.000 0.000 0.470 233 G N -1.956 106.893 108.800 0.083 0.000 2.716 233 G HA2 0.060 4.020 3.960 -0.001 0.000 0.686 233 G HA3 0.060 4.020 3.960 -0.001 0.000 0.686 233 G C -0.658 174.301 174.900 0.099 0.000 1.337 233 G CA -0.231 44.918 45.100 0.080 0.000 0.829 233 G HN 0.721 9.011 8.290 -0.000 0.000 0.599 234 I N 2.363 122.992 120.570 0.099 0.000 2.428 234 I HA 0.265 4.434 4.170 -0.001 0.000 0.289 234 I C 1.127 177.330 176.117 0.143 0.000 1.019 234 I CA -0.664 60.711 61.300 0.126 0.000 1.351 234 I CB 1.259 39.321 38.000 0.103 0.000 1.412 234 I HN 0.616 8.826 8.210 -0.000 0.000 0.513 235 H N 8.134 127.262 119.070 0.096 0.000 2.929 235 H HA 0.073 4.629 4.556 -0.001 0.000 0.317 235 H C -1.833 173.553 175.328 0.096 0.000 1.031 235 H CA -1.449 54.654 56.048 0.091 0.000 1.466 235 H CB 1.161 30.980 29.762 0.095 0.000 1.482 235 H HN 0.374 8.654 8.280 -0.000 0.000 0.561 236 P HA -0.239 4.181 4.420 -0.000 0.000 0.220 236 P C 1.200 178.643 177.300 0.239 0.000 1.155 236 P CA 1.492 64.649 63.100 0.094 0.000 0.880 236 P CB 0.414 32.090 31.700 -0.040 0.000 0.790 237 E N -0.914 119.552 120.200 0.444 0.000 2.204 237 E HA -0.150 4.200 4.350 -0.001 0.000 0.194 237 E C 1.607 178.328 176.600 0.202 0.000 0.989 237 E CA 0.949 57.510 56.400 0.269 0.000 0.824 237 E CB -0.838 28.977 29.700 0.192 0.000 0.756 237 E HN 0.385 8.745 8.360 -0.000 0.000 0.477 238 D N 0.517 121.078 120.400 0.270 0.000 2.149 238 D HA -0.045 4.594 4.640 -0.001 0.000 0.201 238 D C 2.122 178.579 176.300 0.262 0.000 0.972 238 D CA 0.467 54.645 54.000 0.296 0.000 0.835 238 D CB -0.050 40.916 40.800 0.278 0.000 0.966 238 D HN 0.209 8.579 8.370 -0.000 0.000 0.476 239 I N 0.936 121.632 120.570 0.209 0.000 2.286 239 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 239 I C 2.307 178.524 176.117 0.166 0.000 1.115 239 I CA 1.031 62.437 61.300 0.177 0.000 1.392 239 I CB -0.057 38.079 38.000 0.226 0.000 1.065 239 I HN -0.063 8.147 8.210 -0.000 0.000 0.418 240 K N 0.717 121.217 120.400 0.166 0.000 2.057 240 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 240 K C 2.191 178.840 176.600 0.082 0.000 1.050 240 K CA 1.230 57.595 56.287 0.129 0.000 0.935 240 K CB -0.107 32.461 32.500 0.112 0.000 0.715 240 K HN 0.173 8.423 8.250 -0.000 0.000 0.439 241 K N 0.802 121.238 120.400 0.059 0.000 2.097 241 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 241 K C 2.072 178.705 176.600 0.054 0.000 1.050 241 K CA 1.037 57.304 56.287 -0.033 0.000 0.938 241 K CB -0.040 32.283 32.500 -0.295 0.000 0.718 241 K HN 0.101 8.351 8.250 -0.000 0.000 0.442 242 A N 1.361 124.288 122.820 0.177 0.000 1.908 242 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 242 A C 2.051 179.663 177.584 0.046 0.000 1.181 242 A CA 1.489 53.616 52.037 0.150 0.000 0.627 242 A CB -0.567 18.488 19.000 0.093 0.000 0.818 242 A HN 0.343 8.493 8.150 -0.000 0.000 0.445 243 I N 0.625 121.214 120.570 0.031 0.000 2.252 243 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 243 I C 2.782 178.897 176.117 -0.002 0.000 1.102 243 I CA 1.560 62.856 61.300 -0.005 0.000 1.385 243 I CB -0.261 37.752 38.000 0.021 0.000 1.064 243 I HN 0.511 8.721 8.210 -0.000 0.000 0.414 244 S N 0.850 116.560 115.700 0.018 0.000 2.469 244 S HA -0.071 4.399 4.470 -0.001 0.000 0.238 244 S C 1.703 176.302 174.600 -0.001 0.000 0.998 244 S CA 0.844 59.049 58.200 0.009 0.000 0.957 244 S CB -0.531 62.673 63.200 0.007 0.000 0.764 244 S HN 0.468 8.778 8.310 -0.000 0.000 0.514 245 L N 0.202 121.429 121.223 0.006 0.000 2.607 245 L HA 0.425 4.765 4.340 -0.001 0.000 0.228 245 L C 1.794 178.656 176.870 -0.012 0.000 1.123 245 L CA 0.409 55.253 54.840 0.006 0.000 0.890 245 L CB 0.183 42.263 42.059 0.036 0.000 1.103 245 L HN 0.597 8.827 8.230 -0.000 0.000 0.468 246 G N -0.459 108.323 108.800 -0.030 0.000 2.425 246 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.177 246 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.177 246 G C 0.143 174.998 174.900 -0.076 0.000 0.999 246 G CA -0.744 44.325 45.100 -0.052 0.000 0.723 246 G HN 0.003 8.293 8.290 -0.000 0.000 0.491 247 I N 2.170 122.693 120.570 -0.079 0.000 2.517 247 I HA 0.464 4.633 4.170 -0.001 0.000 0.285 247 I C 1.411 177.434 176.117 -0.157 0.000 1.106 247 I CA 0.937 62.167 61.300 -0.115 0.000 1.402 247 I CB 1.019 38.950 38.000 -0.115 0.000 1.399 247 I HN 0.244 8.454 8.210 -0.000 0.000 0.535 248 A N 6.702 129.409 122.820 -0.189 0.000 2.192 248 A HA 0.128 4.448 4.320 -0.001 0.000 0.208 248 A C 0.922 178.341 177.584 -0.275 0.000 1.220 248 A CA 0.077 51.968 52.037 -0.242 0.000 0.900 248 A CB 0.391 19.239 19.000 -0.253 0.000 0.937 248 A HN 0.648 8.798 8.150 -0.000 0.000 0.487 249 K N 0.536 120.773 120.400 -0.272 0.000 2.376 249 K HA 0.608 4.928 4.320 -0.001 0.000 0.257 249 K C -2.014 174.396 176.600 -0.318 0.000 0.939 249 K CA -0.602 55.505 56.287 -0.299 0.000 0.809 249 K CB 0.994 33.332 32.500 -0.270 0.000 1.121 249 K HN 0.071 8.321 8.250 -0.000 0.000 0.425 250 I N 3.651 123.950 120.570 -0.451 0.000 2.420 250 I HA 0.223 4.392 4.170 -0.001 0.000 0.282 250 I C -0.739 175.170 176.117 -0.348 0.000 1.019 250 I CA -0.723 60.301 61.300 -0.460 0.000 1.130 250 I CB 1.290 38.760 38.000 -0.883 0.000 1.262 250 I HN 0.509 8.719 8.210 -0.000 0.000 0.454 251 N N 4.037 122.629 118.700 -0.181 0.000 2.454 251 N HA 0.333 5.072 4.740 -0.001 0.000 0.260 251 N C -0.485 174.953 175.510 -0.119 0.000 1.218 251 N CA 0.323 53.286 53.050 -0.145 0.000 0.904 251 N CB 0.547 38.974 38.487 -0.100 0.000 1.065 251 N HN 0.513 8.893 8.380 -0.000 0.000 0.462 252 T N 0.722 115.202 114.554 -0.124 0.000 3.011 252 T HA 0.290 4.640 4.350 -0.001 0.000 0.303 252 T C 0.113 174.866 174.700 0.089 0.000 0.997 252 T CA -0.597 61.500 62.100 -0.005 0.000 1.007 252 T CB 2.080 70.936 68.868 -0.020 0.000 1.017 252 T HN 0.466 8.706 8.240 -0.000 0.000 0.443 253 D N 1.383 121.840 120.400 0.095 0.000 2.548 253 D HA 0.009 4.648 4.640 -0.001 0.000 0.223 253 D C 1.868 178.222 176.300 0.091 0.000 1.346 253 D CA 0.422 54.482 54.000 0.099 0.000 1.318 253 D CB 0.105 40.925 40.800 0.034 0.000 1.669 253 D HN 0.421 8.791 8.370 -0.000 0.000 0.416 254 T N 1.598 116.182 114.554 0.051 0.000 2.649 254 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 254 T C 1.092 175.814 174.700 0.038 0.000 1.036 254 T CA 2.021 64.139 62.100 0.029 0.000 1.157 254 T CB -0.433 68.446 68.868 0.018 0.000 0.861 254 T HN 0.184 8.424 8.240 -0.000 0.000 0.445 255 D N 0.952 121.390 120.400 0.064 0.000 2.149 255 D HA -0.033 4.607 4.640 -0.001 0.000 0.198 255 D C 2.165 178.512 176.300 0.078 0.000 0.990 255 D CA 0.778 54.813 54.000 0.060 0.000 0.839 255 D CB -0.361 40.487 40.800 0.080 0.000 0.948 255 D HN 0.365 8.735 8.370 -0.000 0.000 0.460 256 L N 0.218 121.522 121.223 0.136 0.000 2.056 256 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 256 L C 2.573 179.586 176.870 0.239 0.000 1.078 256 L CA 0.900 55.839 54.840 0.166 0.000 0.749 256 L CB -0.401 41.813 42.059 0.259 0.000 0.901 256 L HN -0.056 8.174 8.230 -0.000 0.000 0.433 257 R N 0.392 121.033 120.500 0.233 0.000 2.073 257 R HA -0.125 4.215 4.340 -0.001 0.000 0.234 257 R C 2.371 178.743 176.300 0.120 0.000 1.134 257 R CA 1.210 57.445 56.100 0.226 0.000 0.952 257 R CB -0.493 29.851 30.300 0.072 0.000 0.850 257 R HN 0.285 8.555 8.270 -0.000 0.000 0.433 258 L N 0.320 121.521 121.223 -0.036 0.000 1.989 258 L HA -0.232 4.108 4.340 -0.001 0.000 0.211 258 L C 2.767 179.579 176.870 -0.097 0.000 1.071 258 L CA 1.480 56.182 54.840 -0.230 0.000 0.749 258 L CB -0.721 41.191 42.059 -0.245 0.000 0.890 258 L HN 0.285 8.515 8.230 -0.000 0.000 0.431 259 A N -0.156 122.668 122.820 0.007 0.000 1.865 259 A HA -0.305 4.015 4.320 -0.001 0.000 0.217 259 A C 2.181 179.818 177.584 0.087 0.000 1.191 259 A CA 1.918 53.978 52.037 0.039 0.000 0.623 259 A CB -1.060 17.958 19.000 0.030 0.000 0.826 259 A HN 0.376 8.526 8.150 -0.000 0.000 0.444 260 F N 1.363 121.292 119.950 -0.035 0.000 2.091 260 F HA -0.223 4.303 4.527 -0.000 0.000 0.299 260 F C 2.609 178.451 175.800 0.071 0.000 1.103 260 F CA 2.458 60.450 58.000 -0.014 0.000 1.228 260 F CB -0.730 38.302 39.000 0.053 0.000 0.984 260 F HN 0.243 8.543 8.300 -0.000 0.000 0.477 261 T N 0.375 115.046 114.554 0.195 0.000 2.737 261 T HA -0.125 4.224 4.350 -0.001 0.000 0.265 261 T C 2.230 177.028 174.700 0.162 0.000 1.038 261 T CA 1.331 63.519 62.100 0.147 0.000 1.144 261 T CB -0.948 68.029 68.868 0.182 0.000 0.866 261 T HN 0.359 8.599 8.240 -0.000 0.000 0.434 262 A N 1.270 124.213 122.820 0.204 0.000 1.917 262 A HA -0.097 4.223 4.320 -0.001 0.000 0.219 262 A C 2.201 179.849 177.584 0.106 0.000 1.182 262 A CA 1.516 53.724 52.037 0.284 0.000 0.633 262 A CB -0.893 18.255 19.000 0.246 0.000 0.819 262 A HN 0.377 8.527 8.150 -0.000 0.000 0.448 263 L N -0.478 120.757 121.223 0.021 0.000 2.156 263 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 263 L C 2.351 179.187 176.870 -0.057 0.000 1.095 263 L CA 1.180 56.002 54.840 -0.031 0.000 0.770 263 L CB -0.418 41.602 42.059 -0.066 0.000 0.914 263 L HN 0.398 8.628 8.230 -0.000 0.000 0.439 264 I N -1.039 119.466 120.570 -0.108 0.000 2.226 264 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 264 I C 2.620 178.692 176.117 -0.075 0.000 1.100 264 I CA 1.142 62.383 61.300 -0.099 0.000 1.374 264 I CB -0.306 37.613 38.000 -0.135 0.000 1.057 264 I HN 0.228 8.438 8.210 -0.000 0.000 0.413 265 R N 0.741 121.224 120.500 -0.029 0.000 2.070 265 R HA -0.170 4.170 4.340 -0.001 0.000 0.233 265 R C 2.232 178.510 176.300 -0.037 0.000 1.137 265 R CA 1.582 57.663 56.100 -0.031 0.000 0.945 265 R CB -0.320 29.980 30.300 0.000 0.000 0.845 265 R HN 0.457 8.727 8.270 -0.000 0.000 0.430 266 E N 0.557 120.747 120.200 -0.017 0.000 2.033 266 E HA -0.242 4.108 4.350 -0.001 0.000 0.199 266 E C 2.112 178.700 176.600 -0.020 0.000 1.011 266 E CA 1.413 57.804 56.400 -0.016 0.000 0.815 266 E CB -0.254 29.444 29.700 -0.004 0.000 0.755 266 E HN 0.367 8.727 8.360 -0.000 0.000 0.451 267 A N 1.442 124.254 122.820 -0.014 0.000 1.883 267 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 267 A C 2.257 179.829 177.584 -0.021 0.000 1.186 267 A CA 1.313 53.351 52.037 0.001 0.000 0.624 267 A CB -0.735 18.294 19.000 0.048 0.000 0.822 267 A HN 0.149 8.299 8.150 -0.000 0.000 0.444 268 L N -0.479 120.700 121.223 -0.072 0.000 2.217 268 L HA -0.147 4.192 4.340 -0.001 0.000 0.211 268 L C 2.193 179.024 176.870 -0.065 0.000 1.107 268 L CA 0.854 55.629 54.840 -0.109 0.000 0.783 268 L CB -0.603 41.335 42.059 -0.202 0.000 0.919 268 L HN 0.400 8.630 8.230 -0.000 0.000 0.442 269 N N 0.772 119.441 118.700 -0.052 0.000 2.135 269 N HA -0.125 4.615 4.740 -0.001 0.000 0.186 269 N C 1.557 177.051 175.510 -0.027 0.000 1.027 269 N CA 1.221 54.247 53.050 -0.040 0.000 0.849 269 N CB -0.064 38.399 38.487 -0.040 0.000 1.002 269 N HN 0.329 8.709 8.380 -0.000 0.000 0.425 270 K N 0.448 120.835 120.400 -0.021 0.000 2.487 270 K HA 0.142 4.462 4.320 -0.001 0.000 0.192 270 K C -0.302 176.293 176.600 -0.008 0.000 1.027 270 K CA 0.307 56.586 56.287 -0.014 0.000 1.054 270 K CB 0.263 32.756 32.500 -0.011 0.000 0.824 270 K HN 0.129 8.379 8.250 -0.000 0.000 0.510 271 N N 0.873 119.569 118.700 -0.007 0.000 2.675 271 N HA 0.130 4.870 4.740 -0.001 0.000 0.254 271 N C -2.537 172.979 175.510 0.010 0.000 1.224 271 N CA -1.081 51.971 53.050 0.003 0.000 0.777 271 N CB 1.717 40.210 38.487 0.010 0.000 1.256 271 N HN -0.219 8.161 8.380 -0.000 0.000 0.531 272 P HA -0.164 4.256 4.420 -0.000 0.000 0.213 272 P C 1.065 178.407 177.300 0.069 0.000 1.170 272 P CA 1.674 64.791 63.100 0.029 0.000 0.898 272 P CB 0.279 31.993 31.700 0.023 0.000 0.787 273 K N -0.474 119.970 120.400 0.072 0.000 2.611 273 K HA 0.014 4.333 4.320 -0.001 0.000 0.193 273 K C 0.367 177.015 176.600 0.081 0.000 1.026 273 K CA 0.349 56.705 56.287 0.115 0.000 1.063 273 K CB -0.265 32.277 32.500 0.071 0.000 0.839 273 K HN 0.017 8.267 8.250 -0.000 0.000 0.505 274 E N 1.344 121.584 120.200 0.067 0.000 2.115 274 E HA 0.115 4.465 4.350 -0.001 0.000 0.282 274 E C -0.744 175.956 176.600 0.166 0.000 0.987 274 E CA -0.951 55.456 56.400 0.013 0.000 0.797 274 E CB 0.419 30.151 29.700 0.054 0.000 1.086 274 E HN 0.360 8.720 8.360 -0.000 0.000 0.397 275 F N 1.498 121.537 119.950 0.148 0.000 2.859 275 F HA 0.410 4.936 4.527 -0.001 0.000 0.324 275 F C -0.022 175.890 175.800 0.186 0.000 1.158 275 F CA -0.976 57.146 58.000 0.204 0.000 1.147 275 F CB 0.116 39.184 39.000 0.112 0.000 1.137 275 F HN 0.229 8.529 8.300 -0.000 0.000 0.516 276 D N 3.192 123.583 120.400 -0.015 0.000 2.312 276 D HA 0.197 4.837 4.640 -0.001 0.000 0.252 276 D C -1.729 174.439 176.300 -0.220 0.000 1.150 276 D CA -1.944 52.007 54.000 -0.082 0.000 0.870 276 D CB 2.076 42.769 40.800 -0.178 0.000 1.153 276 D HN -0.078 8.292 8.370 -0.000 0.000 0.457 277 P HA -0.149 4.271 4.420 -0.000 0.000 0.213 277 P C 1.188 178.078 177.300 -0.682 0.000 1.170 277 P CA 1.533 64.317 63.100 -0.526 0.000 0.902 277 P CB 0.163 31.756 31.700 -0.178 0.000 0.789 278 R N -0.404 119.903 120.500 -0.322 0.000 2.154 278 R HA -0.165 4.175 4.340 -0.001 0.000 0.248 278 R C 2.077 178.239 176.300 -0.231 0.000 1.155 278 R CA 1.163 57.132 56.100 -0.219 0.000 0.979 278 R CB -0.560 29.667 30.300 -0.121 0.000 0.869 278 R HN 0.184 8.454 8.270 -0.000 0.000 0.452 279 K N 0.250 120.496 120.400 -0.257 0.000 2.148 279 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 279 K C 1.855 178.421 176.600 -0.057 0.000 1.050 279 K CA 1.465 57.675 56.287 -0.129 0.000 0.942 279 K CB -0.036 32.425 32.500 -0.065 0.000 0.724 279 K HN 0.504 8.754 8.250 -0.000 0.000 0.446 280 Y N -2.888 117.385 120.300 -0.044 0.000 2.498 280 Y HA 0.238 4.788 4.550 -0.001 0.000 0.259 280 Y C 1.688 177.518 175.900 -0.117 0.000 1.086 280 Y CA -0.437 57.620 58.100 -0.071 0.000 1.287 280 Y CB -0.377 38.048 38.460 -0.058 0.000 1.146 280 Y HN -0.268 8.012 8.280 -0.000 0.000 0.523 281 L N 1.428 122.517 121.223 -0.224 0.000 2.162 281 L HA 0.230 4.569 4.340 -0.001 0.000 0.205 281 L C 2.471 179.306 176.870 -0.058 0.000 1.086 281 L CA 1.609 56.379 54.840 -0.117 0.000 0.778 281 L CB -1.224 40.782 42.059 -0.088 0.000 0.928 281 L HN 0.462 8.692 8.230 -0.000 0.000 0.446 282 G N 0.235 108.989 108.800 -0.077 0.000 2.459 282 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 282 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 282 G C -0.621 174.257 174.900 -0.038 0.000 1.183 282 G CA 0.770 45.845 45.100 -0.042 0.000 0.776 282 G HN 0.304 8.595 8.290 -0.000 0.000 0.552 283 P HA 0.020 4.440 4.420 -0.000 0.000 0.218 283 P C 2.094 179.358 177.300 -0.061 0.000 1.149 283 P CA 1.700 64.773 63.100 -0.044 0.000 0.817 283 P CB -0.061 31.619 31.700 -0.034 0.000 0.785 284 A N 0.291 123.043 122.820 -0.113 0.000 1.873 284 A HA -0.208 4.112 4.320 -0.001 0.000 0.215 284 A C 2.408 179.996 177.584 0.008 0.000 1.186 284 A CA 1.429 53.344 52.037 -0.203 0.000 0.616 284 A CB -1.163 17.406 19.000 -0.719 0.000 0.823 284 A HN 0.021 8.171 8.150 -0.000 0.000 0.442 285 R N -0.167 120.384 120.500 0.084 0.000 2.105 285 R HA -0.213 4.126 4.340 -0.001 0.000 0.239 285 R C 1.937 178.214 176.300 -0.038 0.000 1.135 285 R CA 2.095 58.231 56.100 0.060 0.000 0.967 285 R CB -0.298 30.038 30.300 0.060 0.000 0.861 285 R HN 0.477 8.747 8.270 -0.000 0.000 0.442 286 E N 0.449 120.629 120.200 -0.033 0.000 2.110 286 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 286 E C 1.684 178.252 176.600 -0.053 0.000 0.988 286 E CA 1.594 57.966 56.400 -0.047 0.000 0.804 286 E CB -0.181 29.495 29.700 -0.039 0.000 0.745 286 E HN 0.450 8.810 8.360 -0.000 0.000 0.458 287 A N -0.163 122.631 122.820 -0.043 0.000 1.930 287 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 287 A C 2.453 180.003 177.584 -0.055 0.000 1.175 287 A CA 1.418 53.432 52.037 -0.039 0.000 0.627 287 A CB -0.615 18.372 19.000 -0.022 0.000 0.815 287 A HN 0.187 8.337 8.150 -0.000 0.000 0.443 288 V N 0.437 120.302 119.914 -0.082 0.000 2.343 288 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 288 V C 2.534 178.535 176.094 -0.155 0.000 1.051 288 V CA 2.359 64.571 62.300 -0.146 0.000 1.036 288 V CB -0.663 30.955 31.823 -0.342 0.000 0.654 288 V HN 0.705 8.895 8.190 -0.000 0.000 0.451 289 K N -0.189 120.122 120.400 -0.147 0.000 2.063 289 K HA -0.236 4.084 4.320 -0.001 0.000 0.208 289 K C 2.170 178.689 176.600 -0.135 0.000 1.048 289 K CA 1.685 57.882 56.287 -0.150 0.000 0.928 289 K CB -0.091 32.341 32.500 -0.113 0.000 0.713 289 K HN 0.377 8.627 8.250 -0.000 0.000 0.442 290 E N 0.432 120.573 120.200 -0.098 0.000 2.072 290 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 290 E C 2.140 178.688 176.600 -0.086 0.000 0.985 290 E CA 0.968 57.318 56.400 -0.082 0.000 0.801 290 E CB -0.242 29.423 29.700 -0.058 0.000 0.750 290 E HN 0.159 8.519 8.360 -0.000 0.000 0.452 291 V N 1.064 120.930 119.914 -0.079 0.000 2.295 291 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 291 V C 2.592 178.638 176.094 -0.081 0.000 1.049 291 V CA 1.430 63.695 62.300 -0.057 0.000 1.024 291 V CB -0.610 31.200 31.823 -0.022 0.000 0.648 291 V HN 0.062 8.252 8.190 -0.000 0.000 0.447 292 V N -0.265 119.544 119.914 -0.175 0.000 2.343 292 V HA -0.290 3.830 4.120 -0.001 0.000 0.247 292 V C 2.424 178.372 176.094 -0.244 0.000 1.051 292 V CA 2.073 64.152 62.300 -0.369 0.000 1.036 292 V CB -0.759 30.656 31.823 -0.679 0.000 0.654 292 V HN 0.542 8.732 8.190 -0.000 0.000 0.451 293 K N 0.023 120.314 120.400 -0.181 0.000 2.097 293 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 293 K C 2.412 178.947 176.600 -0.108 0.000 1.049 293 K CA 1.651 57.863 56.287 -0.125 0.000 0.933 293 K CB -0.281 32.158 32.500 -0.102 0.000 0.717 293 K HN 0.402 8.652 8.250 -0.000 0.000 0.442 294 S N 0.717 116.352 115.700 -0.109 0.000 2.368 294 S HA -0.065 4.405 4.470 -0.001 0.000 0.224 294 S C 1.797 176.277 174.600 -0.200 0.000 1.029 294 S CA 0.909 59.038 58.200 -0.118 0.000 0.988 294 S CB -0.070 63.075 63.200 -0.092 0.000 0.838 294 S HN 0.224 8.534 8.310 -0.000 0.000 0.462 295 R N 1.452 121.817 120.500 -0.227 0.000 2.083 295 R HA 0.049 4.389 4.340 -0.001 0.000 0.237 295 R C 2.204 178.037 176.300 -0.778 0.000 1.137 295 R CA 1.287 57.045 56.100 -0.569 0.000 0.951 295 R CB -1.035 29.177 30.300 -0.148 0.000 0.851 295 R HN 0.487 8.757 8.270 -0.000 0.000 0.434 296 M N 0.269 119.752 119.600 -0.195 0.000 2.159 296 M HA -0.142 4.338 4.480 -0.001 0.000 0.263 296 M C 2.218 178.486 176.300 -0.052 0.000 1.063 296 M CA 1.563 56.866 55.300 0.005 0.000 1.110 296 M CB -0.326 32.313 32.600 0.066 0.000 1.374 296 M HN 0.192 8.482 8.290 -0.000 0.000 0.411 297 E N 0.944 121.077 120.200 -0.111 0.000 2.047 297 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 297 E C 1.960 178.517 176.600 -0.071 0.000 0.987 297 E CA 1.098 57.454 56.400 -0.074 0.000 0.799 297 E CB -0.041 29.613 29.700 -0.077 0.000 0.752 297 E HN 0.335 8.695 8.360 -0.000 0.000 0.449 298 L N 0.290 121.410 121.223 -0.172 0.000 2.083 298 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 298 L C 1.766 178.679 176.870 0.072 0.000 1.083 298 L CA 1.636 56.407 54.840 -0.114 0.000 0.752 298 L CB -0.488 41.429 42.059 -0.236 0.000 0.899 298 L HN 0.149 8.379 8.230 -0.000 0.000 0.433 299 F N 0.787 120.779 119.950 0.071 0.000 2.661 299 F HA 0.315 4.842 4.527 -0.000 0.000 0.298 299 F C 2.059 177.921 175.800 0.104 0.000 1.137 299 F CA 0.161 58.211 58.000 0.083 0.000 1.454 299 F CB -1.332 37.724 39.000 0.092 0.000 1.103 299 F HN 0.248 8.548 8.300 -0.000 0.000 0.577 300 G N 0.033 108.963 108.800 0.216 0.000 2.160 300 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.244 300 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.244 300 G C 1.050 175.967 174.900 0.029 0.000 1.022 300 G CA 0.624 45.800 45.100 0.126 0.000 0.741 300 G HN 0.496 8.786 8.290 -0.000 0.000 0.508 301 S N -1.656 114.066 115.700 0.037 0.000 2.556 301 S HA 0.463 4.932 4.470 -0.001 0.000 0.216 301 S C 0.928 175.434 174.600 -0.156 0.000 0.970 301 S CA 0.422 58.538 58.200 -0.141 0.000 0.912 301 S CB 0.832 64.091 63.200 0.099 0.000 0.790 301 S HN 0.853 9.163 8.310 -0.000 0.000 0.504 302 V N 2.709 122.568 119.914 -0.090 0.000 2.599 302 V HA 0.424 4.544 4.120 -0.001 0.000 0.300 302 V C 1.638 177.666 176.094 -0.110 0.000 1.034 302 V CA 0.997 63.249 62.300 -0.079 0.000 1.115 302 V CB -0.309 31.481 31.823 -0.054 0.000 0.934 302 V HN 0.755 8.945 8.190 -0.000 0.000 0.485 303 G N 4.769 113.514 108.800 -0.092 0.000 2.155 303 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.257 303 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.257 303 G C 0.912 175.738 174.900 -0.123 0.000 0.983 303 G CA 0.519 45.567 45.100 -0.088 0.000 0.676 303 G HN 0.630 8.920 8.290 -0.000 0.000 0.528 304 R N 0.476 120.859 120.500 -0.195 0.000 2.299 304 R HA 0.595 4.934 4.340 -0.001 0.000 0.197 304 R C 1.944 178.174 176.300 -0.116 0.000 0.971 304 R CA 1.129 57.067 56.100 -0.270 0.000 1.030 304 R CB -0.494 29.393 30.300 -0.689 0.000 0.932 304 R HN 0.783 9.053 8.270 -0.000 0.000 0.477 305 A N 0.000 122.780 122.820 -0.067 0.000 2.254 305 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 305 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 305 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 305 A HN 0.000 8.150 8.150 -0.000 0.000 0.486