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 2e2p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MMIIVGVDAG GTKTKAVAYD cEGNFIGEGS SGPGNYHNVG LTRAIENIKE DATA SEQUENCE AVKIAAKGEA DVVGMGVAGL DSKFDWENFT PLASLIAPKV IIQHDGVIAL DATA SEQUENCE FAETLGEPGV VVIAGTGSVV EGYNGKEFLR VGGRGWLLSD DGSAYWVGRK DATA SEQUENCE ALRKVLKMMD GLENKTILYN KVLKTINVKD LDELVMWSYT SSCQIDLVAS DATA SEQUENCE IAKAVDEAAN EGDTVAMDIL KQGAELLASQ AVYLARKIGT NKVYLKGGMF DATA SEQUENCE RSNIYHKFFT LYLEKEGIIS DLGKRSPEIG AVILAYKEVG cDIKKLIS 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 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 M N 4.357 123.953 119.600 -0.007 0.000 2.188 2 M HA 0.614 5.100 4.480 0.011 0.000 0.357 2 M C -1.353 174.953 176.300 0.010 0.000 1.204 2 M CA -0.315 54.982 55.300 -0.006 0.000 1.095 2 M CB 0.761 33.347 32.600 -0.023 0.000 1.604 2 M HN 0.751 9.041 8.290 -0.000 0.000 0.464 3 I N 6.778 127.356 120.570 0.013 0.000 2.328 3 I HA 0.324 4.500 4.170 0.011 0.000 0.287 3 I C -0.787 175.361 176.117 0.051 0.000 1.012 3 I CA -0.391 60.925 61.300 0.025 0.000 1.195 3 I CB 0.856 38.856 38.000 0.001 0.000 1.350 3 I HN 0.659 8.869 8.210 -0.000 0.000 0.464 4 I N 7.102 127.734 120.570 0.103 0.000 2.354 4 I HA 0.393 4.570 4.170 0.011 0.000 0.292 4 I C -0.467 175.752 176.117 0.170 0.000 0.989 4 I CA -0.794 60.595 61.300 0.148 0.000 1.188 4 I CB 1.820 39.958 38.000 0.230 0.000 1.342 4 I HN 0.170 8.380 8.210 -0.000 0.000 0.457 5 V N 4.899 124.891 119.914 0.130 0.000 2.448 5 V HA 0.594 4.721 4.120 0.011 0.000 0.295 5 V C 0.463 176.631 176.094 0.124 0.000 1.025 5 V CA -0.576 61.796 62.300 0.120 0.000 0.859 5 V CB 1.720 33.584 31.823 0.068 0.000 0.988 5 V HN 0.888 9.078 8.190 -0.000 0.000 0.431 6 G N 3.272 112.156 108.800 0.141 0.000 2.335 6 G HA2 0.608 4.575 3.960 0.011 0.000 0.316 6 G HA3 0.608 4.575 3.960 0.011 0.000 0.316 6 G C -1.046 173.908 174.900 0.090 0.000 1.129 6 G CA -0.361 44.805 45.100 0.110 0.000 0.899 6 G HN 0.548 8.838 8.290 -0.000 0.000 0.448 7 V N 2.313 122.267 119.914 0.066 0.000 2.588 7 V HA 0.368 4.495 4.120 0.011 0.000 0.304 7 V C -1.085 175.031 176.094 0.036 0.000 1.042 7 V CA -0.792 61.541 62.300 0.055 0.000 0.877 7 V CB 2.138 33.995 31.823 0.055 0.000 0.996 7 V HN 0.781 8.971 8.190 -0.000 0.000 0.425 8 D N 3.812 124.231 120.400 0.031 0.000 2.460 8 D HA 0.556 5.203 4.640 0.011 0.000 0.232 8 D C -0.046 176.261 176.300 0.012 0.000 1.079 8 D CA -0.218 53.790 54.000 0.014 0.000 0.864 8 D CB 1.480 42.289 40.800 0.015 0.000 1.048 8 D HN 0.737 9.107 8.370 -0.000 0.000 0.523 9 A N 3.350 126.171 122.820 0.001 0.000 2.478 9 A HA 0.658 4.985 4.320 0.011 0.000 0.327 9 A C 0.697 178.268 177.584 -0.022 0.000 1.431 9 A CA -0.274 51.765 52.037 0.003 0.000 1.014 9 A CB 0.323 19.333 19.000 0.017 0.000 1.143 9 A HN 0.532 8.682 8.150 -0.000 0.000 0.532 10 G N 0.639 109.434 108.800 -0.008 0.000 2.557 10 G HA2 0.456 4.423 3.960 0.011 0.000 0.302 10 G HA3 0.456 4.423 3.960 0.011 0.000 0.302 10 G C 0.940 175.835 174.900 -0.009 0.000 1.311 10 G CA -0.007 45.085 45.100 -0.014 0.000 1.030 10 G HN 0.821 9.111 8.290 -0.000 0.000 0.509 11 G N -1.658 107.137 108.800 -0.009 0.000 2.511 11 G HA2 0.058 4.024 3.960 0.011 0.000 0.217 11 G HA3 0.058 4.024 3.960 0.011 0.000 0.217 11 G C 1.341 176.242 174.900 0.002 0.000 1.133 11 G CA 1.647 46.744 45.100 -0.005 0.000 0.792 11 G HN 0.561 8.851 8.290 -0.000 0.000 0.539 12 T N -0.536 114.020 114.554 0.004 0.000 3.046 12 T HA 0.222 4.579 4.350 0.011 0.000 0.242 12 T C 0.712 175.418 174.700 0.010 0.000 1.018 12 T CA 0.938 63.042 62.100 0.006 0.000 1.131 12 T CB 0.189 69.061 68.868 0.006 0.000 0.904 12 T HN 0.603 8.843 8.240 -0.000 0.000 0.459 13 K N -0.097 120.310 120.400 0.011 0.000 2.571 13 K HA 0.554 4.881 4.320 0.011 0.000 0.289 13 K C -1.870 174.740 176.600 0.017 0.000 1.028 13 K CA -0.887 55.410 56.287 0.015 0.000 0.895 13 K CB 1.404 33.913 32.500 0.015 0.000 1.534 13 K HN -0.229 8.021 8.250 -0.000 0.000 0.421 14 T N 0.961 115.529 114.554 0.023 0.000 2.812 14 T HA 0.411 4.767 4.350 0.011 0.000 0.282 14 T C -1.357 173.361 174.700 0.030 0.000 0.990 14 T CA -0.606 61.511 62.100 0.027 0.000 0.960 14 T CB 1.301 70.190 68.868 0.035 0.000 0.948 14 T HN 0.526 8.766 8.240 -0.000 0.000 0.438 15 K N 1.995 122.415 120.400 0.033 0.000 2.207 15 K HA 0.836 5.162 4.320 0.011 0.000 0.255 15 K C -1.335 175.296 176.600 0.052 0.000 0.941 15 K CA -0.674 55.638 56.287 0.041 0.000 0.825 15 K CB 1.465 33.989 32.500 0.040 0.000 1.119 15 K HN 0.697 8.947 8.250 -0.000 0.000 0.430 16 A N 2.641 125.497 122.820 0.061 0.000 2.449 16 A HA 0.693 5.019 4.320 0.011 0.000 0.302 16 A C -1.335 176.307 177.584 0.097 0.000 1.048 16 A CA -0.542 51.538 52.037 0.072 0.000 0.708 16 A CB 1.304 20.335 19.000 0.051 0.000 1.274 16 A HN 0.763 8.913 8.150 -0.000 0.000 0.410 17 V N -0.977 119.018 119.914 0.136 0.000 2.709 17 V HA 0.964 5.090 4.120 0.011 0.000 0.308 17 V C -0.009 176.172 176.094 0.144 0.000 1.062 17 V CA -0.404 62.010 62.300 0.190 0.000 0.901 17 V CB 1.111 33.150 31.823 0.359 0.000 1.003 17 V HN 1.896 10.086 8.190 -0.000 0.000 0.425 18 A N 3.571 126.348 122.820 -0.072 0.000 2.337 18 A HA 0.976 5.302 4.320 0.011 0.000 0.329 18 A C -1.372 176.039 177.584 -0.288 0.000 1.146 18 A CA -0.633 51.346 52.037 -0.098 0.000 0.800 18 A CB 1.232 20.129 19.000 -0.173 0.000 1.220 18 A HN 1.010 9.160 8.150 -0.000 0.000 0.472 19 Y N -0.026 120.282 120.300 0.013 0.000 2.625 19 Y HA 0.423 4.980 4.550 0.011 0.000 0.338 19 Y C -0.093 175.861 175.900 0.090 0.000 1.123 19 Y CA -0.787 57.356 58.100 0.071 0.000 1.046 19 Y CB 1.860 40.421 38.460 0.168 0.000 1.299 19 Y HN 0.877 9.157 8.280 -0.000 0.000 0.464 20 D N -1.189 119.369 120.400 0.264 0.000 2.507 20 D HA 0.096 4.742 4.640 0.011 0.000 0.280 20 D C 0.723 177.131 176.300 0.180 0.000 1.219 20 D CA -0.479 53.614 54.000 0.155 0.000 1.085 20 D CB 0.247 41.100 40.800 0.089 0.000 1.134 20 D HN 0.565 8.935 8.370 -0.000 0.000 0.583 21 c N -0.886 117.733 118.600 0.032 0.000 2.562 21 c HA 0.118 4.694 4.570 0.011 0.000 0.266 21 c C 1.081 175.141 174.090 -0.050 0.000 1.382 21 c CA 0.066 56.309 56.329 -0.145 0.000 1.742 21 c CB -1.430 40.977 42.510 -0.173 0.000 1.812 21 c HN 0.375 8.605 8.230 -0.000 0.000 0.559 22 E N 0.021 120.270 120.200 0.082 0.000 2.465 22 E HA 0.208 4.564 4.350 0.011 0.000 0.195 22 E C 1.573 178.284 176.600 0.184 0.000 1.028 22 E CA 0.746 57.209 56.400 0.106 0.000 0.899 22 E CB 0.009 29.753 29.700 0.074 0.000 1.032 22 E HN 0.685 9.045 8.360 -0.000 0.000 0.468 23 G N 1.818 110.800 108.800 0.305 0.000 2.143 23 G HA2 -0.295 3.672 3.960 0.011 0.000 0.249 23 G HA3 -0.295 3.672 3.960 0.011 0.000 0.249 23 G C -0.015 175.103 174.900 0.363 0.000 0.981 23 G CA 0.104 45.376 45.100 0.286 0.000 0.665 23 G HN 0.337 8.627 8.290 -0.000 0.000 0.528 24 N N -0.032 118.874 118.700 0.344 0.000 2.444 24 N HA 0.514 5.260 4.740 0.011 0.000 0.271 24 N C -0.138 175.546 175.510 0.290 0.000 1.069 24 N CA -0.659 52.563 53.050 0.287 0.000 0.965 24 N CB 0.829 39.407 38.487 0.152 0.000 1.092 24 N HN 0.221 8.601 8.380 -0.000 0.000 0.476 25 F N 2.833 122.787 119.950 0.007 0.000 2.538 25 F HA 0.154 4.687 4.527 0.010 0.000 0.371 25 F C 0.659 176.288 175.800 -0.285 0.000 1.087 25 F CA 0.066 57.778 58.000 -0.480 0.000 1.250 25 F CB 0.323 39.112 39.000 -0.353 0.000 1.110 25 F HN 0.526 8.826 8.300 -0.000 0.000 0.570 26 I N 3.210 123.124 120.570 -1.095 0.000 3.300 26 I HA 0.345 4.521 4.170 0.011 0.000 0.279 26 I C 1.091 176.603 176.117 -1.009 0.000 1.172 26 I CA 0.555 61.405 61.300 -0.751 0.000 1.431 26 I CB 0.088 37.841 38.000 -0.413 0.000 1.240 26 I HN 0.740 8.950 8.210 -0.000 0.000 0.453 27 G N 1.018 108.915 108.800 -1.505 0.000 2.322 27 G HA2 0.362 4.329 3.960 0.011 0.000 0.295 27 G HA3 0.362 4.329 3.960 0.011 0.000 0.295 27 G C -1.900 172.746 174.900 -0.422 0.000 1.369 27 G CA -0.598 43.962 45.100 -0.900 0.000 0.821 27 G HN 0.176 8.466 8.290 -0.000 0.000 0.536 28 E N -1.203 118.987 120.200 -0.017 0.000 2.408 28 E HA 0.777 5.133 4.350 0.011 0.000 0.275 28 E C -0.303 176.327 176.600 0.049 0.000 0.935 28 E CA -0.994 55.464 56.400 0.096 0.000 0.775 28 E CB 2.472 32.318 29.700 0.243 0.000 1.277 28 E HN 1.484 9.844 8.360 -0.000 0.000 0.455 29 G N 0.216 109.043 108.800 0.047 0.000 2.677 29 G HA2 0.562 4.529 3.960 0.011 0.000 0.291 29 G HA3 0.562 4.529 3.960 0.011 0.000 0.291 29 G C -1.376 173.544 174.900 0.034 0.000 1.435 29 G CA -0.659 44.459 45.100 0.031 0.000 0.826 29 G HN 0.416 8.706 8.290 -0.000 0.000 0.491 30 S N -1.024 114.692 115.700 0.027 0.000 2.595 30 S HA 0.914 5.391 4.470 0.011 0.000 0.281 30 S C -0.394 174.218 174.600 0.021 0.000 1.117 30 S CA -0.541 57.675 58.200 0.026 0.000 0.873 30 S CB 2.031 65.246 63.200 0.025 0.000 1.108 30 S HN 1.032 9.342 8.310 -0.000 0.000 0.477 31 S N -0.279 115.434 115.700 0.022 0.000 2.790 31 S HA 0.777 5.253 4.470 0.011 0.000 0.292 31 S C 0.217 174.830 174.600 0.021 0.000 1.197 31 S CA -0.144 58.068 58.200 0.020 0.000 0.851 31 S CB 0.568 63.781 63.200 0.021 0.000 1.217 31 S HN 0.977 9.287 8.310 -0.000 0.000 0.526 32 G N 0.895 109.708 108.800 0.021 0.000 2.583 32 G HA2 0.459 4.426 3.960 0.011 0.000 0.275 32 G HA3 0.459 4.426 3.960 0.011 0.000 0.275 32 G C -2.771 172.145 174.900 0.025 0.000 1.342 32 G CA -1.017 44.096 45.100 0.021 0.000 1.030 32 G HN 0.537 8.827 8.290 -0.000 0.000 0.520 33 P HA 0.114 4.534 4.420 -0.000 0.000 0.265 33 P C 0.659 177.982 177.300 0.039 0.000 1.187 33 P CA 0.699 63.814 63.100 0.025 0.000 0.766 33 P CB 0.872 32.584 31.700 0.021 0.000 0.820 34 G N 1.984 110.804 108.800 0.034 0.000 3.020 34 G HA2 -0.056 3.911 3.960 0.011 0.000 0.217 34 G HA3 -0.056 3.911 3.960 0.011 0.000 0.217 34 G C 0.488 175.408 174.900 0.034 0.000 1.144 34 G CA 0.143 45.277 45.100 0.056 0.000 0.760 34 G HN 0.451 8.741 8.290 -0.000 0.000 0.548 35 N N 1.094 119.795 118.700 0.001 0.000 2.402 35 N HA 0.024 4.770 4.740 0.011 0.000 0.252 35 N C 1.182 176.686 175.510 -0.009 0.000 1.118 35 N CA -0.733 52.295 53.050 -0.037 0.000 0.945 35 N CB 0.536 39.004 38.487 -0.033 0.000 1.147 35 N HN 0.405 8.785 8.380 -0.000 0.000 0.495 36 Y N 3.530 123.749 120.300 -0.135 0.000 2.483 36 Y HA -0.085 4.471 4.550 0.011 0.000 0.291 36 Y C 1.285 177.102 175.900 -0.139 0.000 1.143 36 Y CA 1.198 59.232 58.100 -0.110 0.000 1.289 36 Y CB -0.285 38.124 38.460 -0.084 0.000 0.983 36 Y HN 0.560 8.840 8.280 -0.000 0.000 0.556 37 H N 0.632 119.380 119.070 -0.536 0.000 2.495 37 H HA -0.008 4.555 4.556 0.011 0.000 0.287 37 H C 1.078 176.295 175.328 -0.185 0.000 1.033 37 H CA 1.317 57.087 56.048 -0.464 0.000 1.307 37 H CB -0.085 29.426 29.762 -0.419 0.000 1.401 37 H HN 0.666 8.946 8.280 -0.000 0.000 0.555 38 N N 0.221 118.913 118.700 -0.014 0.000 2.368 38 N HA -0.050 4.696 4.740 0.011 0.000 0.176 38 N C 1.420 176.940 175.510 0.016 0.000 1.021 38 N CA 0.908 53.961 53.050 0.006 0.000 0.888 38 N CB 0.725 39.215 38.487 0.005 0.000 0.995 38 N HN 0.116 8.496 8.380 -0.000 0.000 0.437 39 V N -3.725 116.206 119.914 0.029 0.000 3.337 39 V HA 0.555 4.682 4.120 0.011 0.000 0.307 39 V C 0.394 176.526 176.094 0.065 0.000 1.505 39 V CA -0.146 62.180 62.300 0.042 0.000 1.072 39 V CB 0.108 31.957 31.823 0.043 0.000 0.929 39 V HN 0.168 8.358 8.190 -0.000 0.000 0.455 40 G N 0.677 109.532 108.800 0.091 0.000 2.692 40 G HA2 -0.067 3.900 3.960 0.011 0.000 0.686 40 G HA3 -0.067 3.900 3.960 0.011 0.000 0.686 40 G C -0.289 174.726 174.900 0.190 0.000 1.243 40 G CA -0.100 45.083 45.100 0.139 0.000 0.782 40 G HN 0.757 9.047 8.290 -0.000 0.000 0.625 41 L N 1.276 122.624 121.223 0.208 0.000 1.989 41 L HA 0.005 4.352 4.340 0.011 0.000 0.211 41 L C 2.957 179.847 176.870 0.034 0.000 1.071 41 L CA 3.578 58.471 54.840 0.088 0.000 0.749 41 L CB -1.142 40.879 42.059 -0.064 0.000 0.890 41 L HN 0.894 9.124 8.230 -0.000 0.000 0.431 42 T N -0.344 114.221 114.554 0.019 0.000 2.708 42 T HA -0.172 4.184 4.350 0.011 0.000 0.266 42 T C 2.084 176.792 174.700 0.013 0.000 1.037 42 T CA 1.262 63.361 62.100 -0.002 0.000 1.146 42 T CB -0.236 68.632 68.868 -0.001 0.000 0.865 42 T HN 0.186 8.426 8.240 -0.000 0.000 0.435 43 R N 1.006 121.528 120.500 0.036 0.000 2.115 43 R HA 0.165 4.512 4.340 0.011 0.000 0.230 43 R C 2.518 178.849 176.300 0.053 0.000 1.111 43 R CA 1.282 57.405 56.100 0.038 0.000 0.976 43 R CB -0.863 29.461 30.300 0.040 0.000 0.870 43 R HN 0.431 8.701 8.270 -0.000 0.000 0.445 44 A N 1.004 123.876 122.820 0.088 0.000 1.898 44 A HA -0.094 4.232 4.320 0.011 0.000 0.216 44 A C 2.107 179.756 177.584 0.110 0.000 1.181 44 A CA 0.937 53.050 52.037 0.127 0.000 0.620 44 A CB -0.336 18.799 19.000 0.224 0.000 0.819 44 A HN 0.144 8.294 8.150 -0.000 0.000 0.442 45 I N 0.091 120.693 120.570 0.053 0.000 2.226 45 I HA -0.219 3.958 4.170 0.011 0.000 0.245 45 I C 2.417 178.523 176.117 -0.018 0.000 1.100 45 I CA 1.891 63.168 61.300 -0.038 0.000 1.374 45 I CB -1.354 36.567 38.000 -0.132 0.000 1.057 45 I HN 0.599 8.809 8.210 -0.000 0.000 0.413 46 E N 1.146 121.343 120.200 -0.005 0.000 2.058 46 E HA -0.244 4.113 4.350 0.011 0.000 0.194 46 E C 1.904 178.510 176.600 0.009 0.000 0.997 46 E CA 1.517 57.915 56.400 -0.003 0.000 0.801 46 E CB 0.099 29.800 29.700 0.002 0.000 0.746 46 E HN 0.412 8.772 8.360 -0.000 0.000 0.450 47 N N 0.491 119.205 118.700 0.024 0.000 2.142 47 N HA -0.121 4.626 4.740 0.011 0.000 0.186 47 N C 1.979 177.508 175.510 0.031 0.000 1.023 47 N CA 1.095 54.162 53.050 0.028 0.000 0.852 47 N CB -0.235 38.274 38.487 0.037 0.000 0.998 47 N HN 0.285 8.665 8.380 -0.000 0.000 0.424 48 I N 1.288 121.884 120.570 0.043 0.000 2.179 48 I HA -0.263 3.913 4.170 0.011 0.000 0.242 48 I C 2.450 178.581 176.117 0.023 0.000 1.088 48 I CA 1.107 62.435 61.300 0.047 0.000 1.357 48 I CB -0.181 37.865 38.000 0.077 0.000 1.051 48 I HN 0.147 8.357 8.210 -0.000 0.000 0.409 49 K N 1.137 121.540 120.400 0.006 0.000 2.057 49 K HA -0.266 4.060 4.320 0.011 0.000 0.207 49 K C 2.094 178.694 176.600 0.001 0.000 1.049 49 K CA 1.765 58.050 56.287 -0.004 0.000 0.931 49 K CB -0.102 32.387 32.500 -0.018 0.000 0.714 49 K HN 0.293 8.543 8.250 -0.000 0.000 0.440 50 E N -0.043 120.159 120.200 0.004 0.000 2.051 50 E HA -0.222 4.134 4.350 0.011 0.000 0.192 50 E C 1.842 178.446 176.600 0.007 0.000 0.991 50 E CA 1.189 57.592 56.400 0.004 0.000 0.799 50 E CB -0.186 29.518 29.700 0.007 0.000 0.748 50 E HN 0.443 8.803 8.360 -0.000 0.000 0.449 51 A N 0.589 123.418 122.820 0.015 0.000 1.883 51 A HA -0.181 4.145 4.320 0.011 0.000 0.217 51 A C 2.448 180.041 177.584 0.015 0.000 1.186 51 A CA 1.760 53.808 52.037 0.019 0.000 0.624 51 A CB -0.908 18.109 19.000 0.028 0.000 0.822 51 A HN 0.240 8.390 8.150 -0.000 0.000 0.444 52 V N 0.227 120.150 119.914 0.016 0.000 2.255 52 V HA -0.311 3.815 4.120 0.011 0.000 0.247 52 V C 2.573 178.666 176.094 -0.002 0.000 1.051 52 V CA 2.531 64.838 62.300 0.012 0.000 1.018 52 V CB -0.696 31.135 31.823 0.013 0.000 0.641 52 V HN 0.698 8.888 8.190 -0.000 0.000 0.445 53 K N -0.261 120.136 120.400 -0.005 0.000 2.103 53 K HA -0.156 4.170 4.320 0.011 0.000 0.207 53 K C 2.058 178.647 176.600 -0.018 0.000 1.048 53 K CA 1.663 57.943 56.287 -0.012 0.000 0.930 53 K CB -0.217 32.277 32.500 -0.011 0.000 0.716 53 K HN 0.445 8.695 8.250 -0.000 0.000 0.444 54 I N 0.557 121.120 120.570 -0.013 0.000 2.252 54 I HA -0.227 3.950 4.170 0.011 0.000 0.245 54 I C 2.440 178.538 176.117 -0.032 0.000 1.102 54 I CA 1.106 62.396 61.300 -0.016 0.000 1.385 54 I CB -0.330 37.667 38.000 -0.004 0.000 1.064 54 I HN 0.238 8.448 8.210 -0.000 0.000 0.414 55 A N 0.610 123.411 122.820 -0.031 0.000 1.898 55 A HA -0.036 4.290 4.320 0.011 0.000 0.216 55 A C 2.374 179.889 177.584 -0.114 0.000 1.181 55 A CA 1.662 53.660 52.037 -0.064 0.000 0.620 55 A CB -0.614 18.368 19.000 -0.030 0.000 0.819 55 A HN 0.419 8.569 8.150 -0.000 0.000 0.442 56 A N -1.436 121.339 122.820 -0.075 0.000 2.218 56 A HA 0.300 4.626 4.320 0.011 0.000 0.209 56 A C 0.975 178.514 177.584 -0.074 0.000 1.168 56 A CA 0.796 52.785 52.037 -0.080 0.000 0.804 56 A CB -0.368 18.607 19.000 -0.042 0.000 0.834 56 A HN 0.472 8.622 8.150 -0.000 0.000 0.482 57 K N -1.465 118.896 120.400 -0.064 0.000 3.096 57 K HA -0.159 4.167 4.320 0.011 0.000 0.266 57 K C 0.555 177.132 176.600 -0.039 0.000 1.043 57 K CA 0.459 56.715 56.287 -0.052 0.000 0.758 57 K CB -1.944 30.518 32.500 -0.065 0.000 1.260 57 K HN 1.405 9.655 8.250 -0.000 0.000 0.481 58 G N -0.709 108.072 108.800 -0.031 0.000 2.292 58 G HA2 -0.022 3.944 3.960 0.011 0.000 0.194 58 G HA3 -0.022 3.944 3.960 0.011 0.000 0.194 58 G C -1.635 173.253 174.900 -0.020 0.000 1.329 58 G CA -0.863 44.223 45.100 -0.024 0.000 1.100 58 G HN -0.001 8.289 8.290 -0.000 0.000 0.470 59 E N 0.594 120.784 120.200 -0.017 0.000 2.349 59 E HA 0.613 4.969 4.350 0.011 0.000 0.265 59 E C 0.400 176.994 176.600 -0.011 0.000 1.064 59 E CA 0.328 56.720 56.400 -0.013 0.000 0.886 59 E CB 1.561 31.254 29.700 -0.012 0.000 1.036 59 E HN 0.993 9.353 8.360 -0.000 0.000 0.413 60 A N 2.010 124.827 122.820 -0.005 0.000 2.337 60 A HA 0.350 4.676 4.320 0.011 0.000 0.331 60 A C 0.341 177.928 177.584 0.006 0.000 1.137 60 A CA -0.591 51.447 52.037 0.002 0.000 0.807 60 A CB 0.818 19.825 19.000 0.011 0.000 1.250 60 A HN 0.491 8.641 8.150 -0.000 0.000 0.468 61 D N -0.173 120.233 120.400 0.010 0.000 2.216 61 D HA 0.124 4.770 4.640 0.011 0.000 0.208 61 D C 0.010 176.320 176.300 0.017 0.000 0.960 61 D CA 1.538 55.543 54.000 0.009 0.000 0.861 61 D CB 0.447 41.250 40.800 0.005 0.000 0.985 61 D HN 0.239 8.609 8.370 -0.000 0.000 0.493 62 V N 1.214 121.146 119.914 0.030 0.000 2.686 62 V HA 0.357 4.483 4.120 0.011 0.000 0.306 62 V C -0.424 175.705 176.094 0.059 0.000 1.065 62 V CA -0.809 61.517 62.300 0.043 0.000 0.894 62 V CB 2.938 34.790 31.823 0.049 0.000 1.004 62 V HN -0.262 7.928 8.190 -0.000 0.000 0.424 63 V N 2.928 122.876 119.914 0.057 0.000 2.483 63 V HA 0.772 4.898 4.120 0.011 0.000 0.297 63 V C 0.499 176.635 176.094 0.071 0.000 1.027 63 V CA -0.307 62.031 62.300 0.063 0.000 0.855 63 V CB 1.952 33.801 31.823 0.044 0.000 0.995 63 V HN 1.005 9.195 8.190 -0.000 0.000 0.424 64 G N 5.535 114.384 108.800 0.083 0.000 2.372 64 G HA2 0.747 4.713 3.960 0.011 0.000 0.323 64 G HA3 0.747 4.713 3.960 0.011 0.000 0.323 64 G C -0.630 174.306 174.900 0.061 0.000 1.152 64 G CA -0.614 44.533 45.100 0.078 0.000 0.906 64 G HN 0.764 9.054 8.290 -0.000 0.000 0.460 65 M N 1.987 121.615 119.600 0.047 0.000 2.446 65 M HA 0.725 5.211 4.480 0.011 0.000 0.294 65 M C -0.313 175.980 176.300 -0.012 0.000 1.158 65 M CA -0.935 54.385 55.300 0.034 0.000 0.899 65 M CB 2.611 35.252 32.600 0.070 0.000 1.687 65 M HN 0.488 8.778 8.290 -0.000 0.000 0.455 66 G N 2.280 111.061 108.800 -0.032 0.000 2.384 66 G HA2 0.611 4.577 3.960 0.011 0.000 0.316 66 G HA3 0.611 4.577 3.960 0.011 0.000 0.316 66 G C -1.133 173.714 174.900 -0.087 0.000 1.160 66 G CA -0.592 44.463 45.100 -0.074 0.000 0.936 66 G HN 0.617 8.907 8.290 -0.000 0.000 0.455 67 V N 1.813 121.631 119.914 -0.160 0.000 2.495 67 V HA 0.722 4.849 4.120 0.011 0.000 0.298 67 V C 0.608 176.566 176.094 -0.226 0.000 1.031 67 V CA -0.924 61.225 62.300 -0.251 0.000 0.871 67 V CB 1.438 32.936 31.823 -0.541 0.000 0.988 67 V HN 1.014 9.204 8.190 -0.000 0.000 0.432 68 A N 2.979 125.693 122.820 -0.176 0.000 2.316 68 A HA 0.707 5.033 4.320 0.011 0.000 0.284 68 A C 1.272 178.773 177.584 -0.139 0.000 1.115 68 A CA 0.443 52.408 52.037 -0.120 0.000 0.812 68 A CB 0.470 19.428 19.000 -0.070 0.000 1.064 68 A HN 2.140 10.290 8.150 -0.000 0.000 0.489 69 G N 0.197 108.957 108.800 -0.067 0.000 2.194 69 G HA2 -0.182 3.784 3.960 0.011 0.000 0.236 69 G HA3 -0.182 3.784 3.960 0.011 0.000 0.236 69 G C 0.179 175.104 174.900 0.043 0.000 0.987 69 G CA 0.212 45.339 45.100 0.045 0.000 0.635 69 G HN 0.872 9.162 8.290 -0.000 0.000 0.520 70 L N 1.727 122.885 121.223 -0.108 0.000 2.480 70 L HA 0.313 4.660 4.340 0.011 0.000 0.243 70 L C 0.323 177.313 176.870 0.199 0.000 1.315 70 L CA -0.351 54.379 54.840 -0.184 0.000 1.231 70 L CB 0.192 41.734 42.059 -0.861 0.000 1.444 70 L HN 0.030 8.260 8.230 -0.000 0.000 0.409 71 D N 0.066 120.583 120.400 0.196 0.000 2.340 71 D HA 0.055 4.701 4.640 0.011 0.000 0.217 71 D C 0.733 177.183 176.300 0.250 0.000 1.081 71 D CA 0.356 54.466 54.000 0.183 0.000 0.842 71 D CB 0.754 41.581 40.800 0.045 0.000 0.934 71 D HN 0.471 8.841 8.370 -0.000 0.000 0.511 72 S N -1.108 114.802 115.700 0.349 0.000 2.550 72 S HA 0.342 4.818 4.470 0.011 0.000 0.270 72 S C 0.531 175.343 174.600 0.353 0.000 1.145 72 S CA -0.739 57.640 58.200 0.298 0.000 0.852 72 S CB 2.520 65.907 63.200 0.312 0.000 1.119 72 S HN -0.371 7.939 8.310 -0.000 0.000 0.465 73 K N 0.733 121.184 120.400 0.084 0.000 2.160 73 K HA 0.105 4.431 4.320 0.011 0.000 0.206 73 K C 1.159 177.791 176.600 0.054 0.000 1.047 73 K CA 1.618 57.897 56.287 -0.015 0.000 0.930 73 K CB -0.811 31.510 32.500 -0.299 0.000 0.720 73 K HN 0.635 8.885 8.250 -0.000 0.000 0.450 74 F N 1.352 121.438 119.950 0.227 0.000 2.171 74 F HA -0.161 4.372 4.527 0.010 0.000 0.300 74 F C 1.861 177.798 175.800 0.229 0.000 1.090 74 F CA 1.182 59.299 58.000 0.196 0.000 1.293 74 F CB -0.530 38.570 39.000 0.167 0.000 1.013 74 F HN 0.069 8.369 8.300 -0.000 0.000 0.486 75 D N -0.908 119.765 120.400 0.455 0.000 2.097 75 D HA -0.200 4.446 4.640 0.011 0.000 0.195 75 D C 2.150 178.566 176.300 0.193 0.000 0.989 75 D CA 1.338 55.552 54.000 0.357 0.000 0.827 75 D CB -0.696 40.315 40.800 0.351 0.000 0.966 75 D HN 0.300 8.670 8.370 -0.000 0.000 0.456 76 W N 1.893 123.277 121.300 0.141 0.000 2.335 76 W HA -0.108 4.557 4.660 0.009 0.000 0.311 76 W C 2.512 179.086 176.519 0.092 0.000 1.213 76 W CA 0.858 58.267 57.345 0.106 0.000 1.274 76 W CB -0.511 28.979 29.460 0.051 0.000 1.148 76 W HN 0.071 8.251 8.180 -0.000 0.000 0.498 77 E N -0.310 120.077 120.200 0.312 0.000 2.153 77 E HA -0.207 4.150 4.350 0.011 0.000 0.194 77 E C 1.627 178.298 176.600 0.119 0.000 0.988 77 E CA 1.412 57.927 56.400 0.192 0.000 0.811 77 E CB -0.492 29.316 29.700 0.180 0.000 0.746 77 E HN 0.535 8.895 8.360 -0.000 0.000 0.466 78 N N -0.414 118.340 118.700 0.091 0.000 2.207 78 N HA -0.095 4.652 4.740 0.011 0.000 0.182 78 N C 1.590 177.026 175.510 -0.124 0.000 1.020 78 N CA 0.540 53.562 53.050 -0.048 0.000 0.858 78 N CB -0.050 38.342 38.487 -0.159 0.000 0.991 78 N HN 0.031 8.411 8.380 -0.000 0.000 0.427 79 F N 1.811 121.588 119.950 -0.288 0.000 2.094 79 F HA -0.034 4.500 4.527 0.012 0.000 0.291 79 F C 2.378 178.090 175.800 -0.145 0.000 1.109 79 F CA 1.089 58.912 58.000 -0.295 0.000 1.221 79 F CB -0.703 38.086 39.000 -0.352 0.000 1.014 79 F HN -0.138 8.162 8.300 -0.000 0.000 0.473 80 T N 1.939 116.542 114.554 0.081 0.000 2.620 80 T HA -0.210 4.147 4.350 0.011 0.000 0.267 80 T C -0.498 174.156 174.700 -0.078 0.000 1.044 80 T CA 2.438 64.565 62.100 0.045 0.000 1.161 80 T CB -1.541 67.449 68.868 0.203 0.000 0.862 80 T HN 0.190 8.430 8.240 -0.000 0.000 0.438 81 P HA -0.050 4.370 4.420 -0.000 0.000 0.215 81 P C 1.531 178.755 177.300 -0.128 0.000 1.157 81 P CA 1.076 64.133 63.100 -0.072 0.000 0.874 81 P CB -0.182 31.488 31.700 -0.050 0.000 0.790 82 L N -1.609 119.488 121.223 -0.210 0.000 2.095 82 L HA -0.013 4.334 4.340 0.011 0.000 0.204 82 L C 2.508 179.201 176.870 -0.296 0.000 1.080 82 L CA 1.211 55.910 54.840 -0.236 0.000 0.759 82 L CB -1.228 40.674 42.059 -0.262 0.000 0.914 82 L HN -0.093 8.137 8.230 -0.000 0.000 0.439 83 A N -0.329 122.197 122.820 -0.489 0.000 1.978 83 A HA -0.188 4.138 4.320 0.011 0.000 0.220 83 A C 2.428 179.885 177.584 -0.211 0.000 1.170 83 A CA 1.983 53.734 52.037 -0.477 0.000 0.636 83 A CB -0.574 17.946 19.000 -0.801 0.000 0.810 83 A HN 0.372 8.522 8.150 -0.000 0.000 0.448 84 S N -0.503 115.107 115.700 -0.150 0.000 2.507 84 S HA -0.035 4.442 4.470 0.011 0.000 0.235 84 S C 1.330 175.894 174.600 -0.060 0.000 0.988 84 S CA 0.852 59.011 58.200 -0.067 0.000 0.944 84 S CB -0.209 62.969 63.200 -0.037 0.000 0.762 84 S HN 0.372 8.682 8.310 -0.000 0.000 0.526 85 L N 0.888 122.060 121.223 -0.085 0.000 2.492 85 L HA 0.259 4.606 4.340 0.011 0.000 0.223 85 L C 1.657 178.494 176.870 -0.055 0.000 1.132 85 L CA 0.691 55.492 54.840 -0.064 0.000 0.850 85 L CB -0.725 41.291 42.059 -0.073 0.000 0.966 85 L HN 0.314 8.544 8.230 -0.000 0.000 0.454 86 I N -0.633 119.900 120.570 -0.063 0.000 2.335 86 I HA -0.175 4.001 4.170 0.011 0.000 0.251 86 I C 1.019 177.122 176.117 -0.024 0.000 1.129 86 I CA 0.845 62.119 61.300 -0.044 0.000 1.402 86 I CB -0.166 37.807 38.000 -0.044 0.000 1.069 86 I HN 0.274 8.484 8.210 -0.000 0.000 0.424 87 A N -0.978 121.832 122.820 -0.018 0.000 2.610 87 A HA 0.486 4.812 4.320 0.011 0.000 0.291 87 A C -2.218 175.363 177.584 -0.004 0.000 1.086 87 A CA -0.858 51.175 52.037 -0.007 0.000 0.677 87 A CB 0.407 19.410 19.000 0.004 0.000 1.278 87 A HN -0.212 7.938 8.150 -0.000 0.000 0.414 88 P HA -0.108 4.312 4.420 -0.000 0.000 0.216 88 P C 0.161 177.464 177.300 0.006 0.000 1.153 88 P CA 1.537 64.637 63.100 0.000 0.000 0.858 88 P CB 0.236 31.936 31.700 0.000 0.000 0.789 89 K N -0.096 120.311 120.400 0.013 0.000 2.450 89 K HA 0.442 4.768 4.320 0.011 0.000 0.257 89 K C -1.716 174.902 176.600 0.030 0.000 0.953 89 K CA -0.591 55.709 56.287 0.022 0.000 0.844 89 K CB 1.298 33.813 32.500 0.024 0.000 1.103 89 K HN -0.323 7.927 8.250 -0.000 0.000 0.429 90 V N 5.891 125.826 119.914 0.035 0.000 2.531 90 V HA 0.441 4.568 4.120 0.011 0.000 0.301 90 V C -0.882 175.250 176.094 0.064 0.000 1.034 90 V CA -0.916 61.410 62.300 0.044 0.000 0.865 90 V CB 1.524 33.363 31.823 0.026 0.000 0.995 90 V HN 0.649 8.839 8.190 -0.000 0.000 0.424 91 I N 6.077 126.693 120.570 0.076 0.000 2.362 91 I HA 0.509 4.685 4.170 0.011 0.000 0.289 91 I C -0.230 175.942 176.117 0.093 0.000 0.994 91 I CA -0.063 61.292 61.300 0.091 0.000 1.158 91 I CB 1.375 39.432 38.000 0.094 0.000 1.315 91 I HN 0.386 8.596 8.210 -0.000 0.000 0.451 92 I N 6.141 126.791 120.570 0.133 0.000 2.378 92 I HA 0.505 4.681 4.170 0.011 0.000 0.291 92 I C -0.203 176.017 176.117 0.172 0.000 0.992 92 I CA -0.547 60.839 61.300 0.144 0.000 1.154 92 I CB 1.161 39.292 38.000 0.218 0.000 1.315 92 I HN 0.484 8.694 8.210 -0.000 0.000 0.448 93 Q N 3.294 123.097 119.800 0.005 0.000 2.687 93 Q HA 0.474 4.821 4.340 0.011 0.000 0.305 93 Q C -0.988 174.927 176.000 -0.141 0.000 1.006 93 Q CA -0.982 54.782 55.803 -0.064 0.000 0.763 93 Q CB 1.638 30.142 28.738 -0.390 0.000 1.506 93 Q HN 0.565 8.835 8.270 -0.000 0.000 0.459 94 H N 1.108 120.127 119.070 -0.084 0.000 2.771 94 H HA -0.045 4.517 4.556 0.011 0.000 0.364 94 H C 0.728 175.961 175.328 -0.159 0.000 1.133 94 H CA 0.012 55.993 56.048 -0.112 0.000 1.423 94 H CB 0.932 30.675 29.762 -0.031 0.000 1.425 94 H HN 0.613 8.893 8.280 -0.000 0.000 0.606 95 D N 2.086 122.489 120.400 0.005 0.000 2.182 95 D HA -0.143 4.504 4.640 0.011 0.000 0.201 95 D C 2.068 178.347 176.300 -0.034 0.000 0.986 95 D CA 1.216 55.193 54.000 -0.039 0.000 0.847 95 D CB -0.869 39.906 40.800 -0.043 0.000 0.942 95 D HN 0.720 9.090 8.370 -0.000 0.000 0.467 96 G N 0.471 109.263 108.800 -0.012 0.000 2.443 96 G HA2 -0.124 3.843 3.960 0.011 0.000 0.219 96 G HA3 -0.124 3.843 3.960 0.011 0.000 0.219 96 G C 1.826 176.699 174.900 -0.044 0.000 1.131 96 G CA 0.753 45.848 45.100 -0.009 0.000 0.775 96 G HN 0.314 8.604 8.290 -0.000 0.000 0.547 97 V N 2.121 121.960 119.914 -0.126 0.000 2.358 97 V HA -0.150 3.976 4.120 0.011 0.000 0.246 97 V C 2.756 178.641 176.094 -0.349 0.000 1.047 97 V CA 1.699 63.792 62.300 -0.344 0.000 1.035 97 V CB -0.406 30.975 31.823 -0.737 0.000 0.658 97 V HN 0.634 8.824 8.190 -0.000 0.000 0.452 98 I N -0.642 119.793 120.570 -0.225 0.000 2.546 98 I HA -0.016 4.161 4.170 0.011 0.000 0.255 98 I C 2.379 178.476 176.117 -0.032 0.000 1.163 98 I CA 1.510 62.741 61.300 -0.115 0.000 1.457 98 I CB -0.708 37.252 38.000 -0.067 0.000 1.092 98 I HN 0.132 8.342 8.210 -0.000 0.000 0.434 99 A N 1.839 124.636 122.820 -0.037 0.000 1.930 99 A HA -0.123 4.204 4.320 0.011 0.000 0.217 99 A C 2.275 179.855 177.584 -0.008 0.000 1.175 99 A CA 1.704 53.733 52.037 -0.013 0.000 0.627 99 A CB -0.745 18.255 19.000 -0.001 0.000 0.815 99 A HN 0.514 8.664 8.150 -0.000 0.000 0.443 100 L N -1.582 119.651 121.223 0.016 0.000 2.005 100 L HA -0.032 4.314 4.340 0.011 0.000 0.207 100 L C 2.088 179.054 176.870 0.160 0.000 1.072 100 L CA 1.952 56.838 54.840 0.076 0.000 0.744 100 L CB -0.776 41.371 42.059 0.147 0.000 0.895 100 L HN 0.300 8.530 8.230 -0.000 0.000 0.433 101 F N 0.493 120.414 119.950 -0.049 0.000 2.269 101 F HA -0.102 4.431 4.527 0.011 0.000 0.301 101 F C 2.559 178.293 175.800 -0.110 0.000 1.082 101 F CA 0.598 58.560 58.000 -0.063 0.000 1.360 101 F CB -1.574 37.395 39.000 -0.052 0.000 1.041 101 F HN 0.262 8.562 8.300 -0.000 0.000 0.512 102 A N -0.390 122.469 122.820 0.064 0.000 1.972 102 A HA -0.155 4.172 4.320 0.011 0.000 0.219 102 A C 2.170 179.681 177.584 -0.123 0.000 1.169 102 A CA 1.676 53.690 52.037 -0.038 0.000 0.635 102 A CB -0.290 18.685 19.000 -0.042 0.000 0.810 102 A HN 0.253 8.403 8.150 -0.000 0.000 0.446 103 E N -0.905 119.162 120.200 -0.221 0.000 2.162 103 E HA -0.052 4.304 4.350 0.011 0.000 0.193 103 E C 2.178 178.554 176.600 -0.373 0.000 0.953 103 E CA 1.598 57.729 56.400 -0.449 0.000 0.849 103 E CB -0.963 28.090 29.700 -1.079 0.000 0.810 103 E HN 0.732 9.092 8.360 -0.000 0.000 0.470 104 T N -0.744 113.664 114.554 -0.244 0.000 3.113 104 T HA 0.086 4.442 4.350 0.011 0.000 0.256 104 T C 1.188 175.817 174.700 -0.118 0.000 1.131 104 T CA 0.018 62.070 62.100 -0.079 0.000 1.074 104 T CB -0.330 68.585 68.868 0.078 0.000 0.944 104 T HN 0.173 8.413 8.240 -0.000 0.000 0.516 105 L N 0.342 121.464 121.223 -0.169 0.000 3.717 105 L HA -0.215 4.131 4.340 0.011 0.000 0.414 105 L C 1.365 178.010 176.870 -0.374 0.000 1.228 105 L CA 0.325 55.039 54.840 -0.210 0.000 0.918 105 L CB -2.439 39.540 42.059 -0.134 0.000 1.865 105 L HN 0.680 8.910 8.230 -0.000 0.000 0.922 106 G N -1.975 106.355 108.800 -0.783 0.000 2.176 106 G HA2 -0.213 3.753 3.960 0.011 0.000 0.253 106 G HA3 -0.213 3.753 3.960 0.011 0.000 0.253 106 G C 0.254 174.753 174.900 -0.668 0.000 0.979 106 G CA 0.456 44.714 45.100 -1.403 0.000 0.641 106 G HN 0.418 8.708 8.290 -0.000 0.000 0.530 107 E N 0.752 120.809 120.200 -0.238 0.000 2.280 107 E HA 0.453 4.809 4.350 0.011 0.000 0.264 107 E C -2.295 174.474 176.600 0.283 0.000 1.064 107 E CA -1.985 54.449 56.400 0.056 0.000 0.900 107 E CB 0.547 30.264 29.700 0.028 0.000 1.123 107 E HN 0.093 8.453 8.360 -0.000 0.000 0.418 108 P HA 0.164 4.584 4.420 -0.000 0.000 0.267 108 P C -0.329 177.112 177.300 0.235 0.000 1.200 108 P CA 0.483 63.691 63.100 0.180 0.000 0.772 108 P CB 0.525 32.213 31.700 -0.020 0.000 0.855 109 G N -0.346 108.615 108.800 0.270 0.000 2.320 109 G HA2 0.447 4.413 3.960 0.011 0.000 0.296 109 G HA3 0.447 4.413 3.960 0.011 0.000 0.296 109 G C -2.098 172.971 174.900 0.281 0.000 1.306 109 G CA -0.448 44.820 45.100 0.281 0.000 0.836 109 G HN 0.397 8.687 8.290 -0.000 0.000 0.517 110 V N -0.565 119.520 119.914 0.285 0.000 2.760 110 V HA 0.788 4.914 4.120 0.011 0.000 0.309 110 V C -0.749 175.515 176.094 0.284 0.000 1.077 110 V CA -0.776 61.672 62.300 0.247 0.000 0.910 110 V CB 1.676 33.605 31.823 0.177 0.000 1.008 110 V HN 1.197 9.387 8.190 -0.000 0.000 0.424 111 V N 5.337 125.395 119.914 0.240 0.000 2.709 111 V HA 0.713 4.840 4.120 0.011 0.000 0.308 111 V C -1.021 175.178 176.094 0.174 0.000 1.062 111 V CA -0.339 62.091 62.300 0.218 0.000 0.901 111 V CB 2.418 34.349 31.823 0.180 0.000 1.003 111 V HN 0.638 8.828 8.190 -0.000 0.000 0.425 112 V N 7.774 127.777 119.914 0.149 0.000 2.370 112 V HA 0.536 4.662 4.120 0.011 0.000 0.283 112 V C -0.131 176.072 176.094 0.181 0.000 1.023 112 V CA -0.355 62.054 62.300 0.183 0.000 0.857 112 V CB 1.508 33.460 31.823 0.214 0.000 0.985 112 V HN 0.697 8.887 8.190 -0.000 0.000 0.443 113 I N 4.559 125.236 120.570 0.178 0.000 2.390 113 I HA 0.638 4.814 4.170 0.011 0.000 0.283 113 I C 0.208 176.419 176.117 0.156 0.000 1.016 113 I CA -0.423 60.974 61.300 0.161 0.000 1.151 113 I CB 1.553 39.610 38.000 0.095 0.000 1.293 113 I HN 0.650 8.860 8.210 -0.000 0.000 0.458 114 A N 5.099 128.029 122.820 0.182 0.000 2.328 114 A HA 0.815 5.142 4.320 0.011 0.000 0.318 114 A C 0.168 177.717 177.584 -0.058 0.000 1.347 114 A CA -0.290 51.760 52.037 0.022 0.000 0.842 114 A CB 0.684 19.605 19.000 -0.132 0.000 1.148 114 A HN 0.814 8.964 8.150 -0.000 0.000 0.499 115 G N 0.193 108.983 108.800 -0.017 0.000 3.392 115 G HA2 0.375 4.341 3.960 0.011 0.000 0.185 115 G HA3 0.375 4.341 3.960 0.011 0.000 0.185 115 G C 0.904 175.804 174.900 -0.001 0.000 1.206 115 G CA 0.718 45.804 45.100 -0.023 0.000 0.776 115 G HN 0.341 8.631 8.290 -0.000 0.000 0.697 116 T N 0.520 115.090 114.554 0.028 0.000 2.759 116 T HA 0.150 4.506 4.350 0.011 0.000 0.269 116 T C 1.176 175.940 174.700 0.107 0.000 1.042 116 T CA 1.595 63.735 62.100 0.065 0.000 1.140 116 T CB -0.371 68.528 68.868 0.052 0.000 0.864 116 T HN 0.646 8.886 8.240 -0.000 0.000 0.455 117 G N 0.120 108.966 108.800 0.078 0.000 3.108 117 G HA2 0.608 4.574 3.960 0.011 0.000 0.268 117 G HA3 0.608 4.574 3.960 0.011 0.000 0.268 117 G C -0.998 173.946 174.900 0.073 0.000 1.361 117 G CA -0.317 44.839 45.100 0.093 0.000 1.047 117 G HN 0.414 8.704 8.290 -0.000 0.000 0.540 118 S N -2.524 113.219 115.700 0.073 0.000 2.579 118 S HA 0.804 5.280 4.470 0.011 0.000 0.272 118 S C -1.353 173.286 174.600 0.064 0.000 1.141 118 S CA -0.609 57.634 58.200 0.071 0.000 0.843 118 S CB 1.885 65.131 63.200 0.076 0.000 1.122 118 S HN 1.837 10.147 8.310 -0.000 0.000 0.468 119 V N 0.631 120.594 119.914 0.082 0.000 3.236 119 V HA 0.675 4.801 4.120 0.011 0.000 0.287 119 V C -1.995 174.167 176.094 0.114 0.000 1.491 119 V CA -0.512 61.833 62.300 0.074 0.000 1.037 119 V CB 1.959 33.800 31.823 0.030 0.000 1.160 119 V HN 1.120 9.310 8.190 -0.000 0.000 0.453 120 V N 4.837 124.825 119.914 0.122 0.000 2.483 120 V HA 0.669 4.795 4.120 0.011 0.000 0.297 120 V C -0.592 175.591 176.094 0.148 0.000 1.027 120 V CA -0.554 61.840 62.300 0.157 0.000 0.855 120 V CB 1.722 33.655 31.823 0.184 0.000 0.995 120 V HN 0.880 9.070 8.190 -0.000 0.000 0.424 121 E N 2.836 123.129 120.200 0.155 0.000 2.207 121 E HA 0.783 5.140 4.350 0.011 0.000 0.270 121 E C -0.048 176.680 176.600 0.215 0.000 0.927 121 E CA -0.500 56.004 56.400 0.173 0.000 0.799 121 E CB 3.002 32.784 29.700 0.136 0.000 1.172 121 E HN 0.822 9.182 8.360 -0.000 0.000 0.404 122 G N 0.818 109.775 108.800 0.262 0.000 2.690 122 G HA2 0.479 4.445 3.960 0.011 0.000 0.291 122 G HA3 0.479 4.445 3.960 0.011 0.000 0.291 122 G C -2.114 173.028 174.900 0.402 0.000 1.403 122 G CA -0.523 44.748 45.100 0.285 0.000 0.864 122 G HN 0.326 8.616 8.290 -0.000 0.000 0.480 123 Y N 1.314 121.732 120.300 0.196 0.000 2.421 123 Y HA 0.448 5.004 4.550 0.010 0.000 0.339 123 Y C -0.014 175.901 175.900 0.024 0.000 0.996 123 Y CA -1.715 56.429 58.100 0.073 0.000 1.046 123 Y CB 2.094 40.693 38.460 0.231 0.000 1.226 123 Y HN 0.534 8.814 8.280 -0.000 0.000 0.445 124 N N 2.487 120.845 118.700 -0.570 0.000 2.238 124 N HA 0.289 5.035 4.740 0.011 0.000 0.222 124 N C 1.069 176.163 175.510 -0.693 0.000 1.133 124 N CA 0.320 53.085 53.050 -0.475 0.000 0.854 124 N CB 0.827 39.159 38.487 -0.259 0.000 1.041 124 N HN 1.056 9.436 8.380 -0.000 0.000 0.510 125 G N 0.452 108.347 108.800 -1.509 0.000 2.225 125 G HA2 -0.385 3.581 3.960 0.011 0.000 0.254 125 G HA3 -0.385 3.581 3.960 0.011 0.000 0.254 125 G C 0.760 175.355 174.900 -0.507 0.000 0.988 125 G CA 0.649 45.181 45.100 -0.946 0.000 0.625 125 G HN 0.580 8.870 8.290 -0.000 0.000 0.527 126 K N 0.669 120.774 120.400 -0.491 0.000 2.424 126 K HA 0.289 4.615 4.320 0.011 0.000 0.200 126 K C 0.746 177.264 176.600 -0.137 0.000 1.279 126 K CA 1.007 57.175 56.287 -0.198 0.000 0.918 126 K CB 0.464 32.872 32.500 -0.154 0.000 1.287 126 K HN 0.622 8.872 8.250 -0.000 0.000 0.502 127 E N -0.701 119.364 120.200 -0.225 0.000 2.454 127 E HA 0.237 4.593 4.350 0.011 0.000 0.279 127 E C -1.367 175.119 176.600 -0.189 0.000 1.029 127 E CA -0.932 55.377 56.400 -0.152 0.000 0.831 127 E CB 0.810 30.476 29.700 -0.055 0.000 1.405 127 E HN -0.125 8.235 8.360 -0.000 0.000 0.463 128 F N 0.498 120.556 119.950 0.181 0.000 2.422 128 F HA 0.515 5.047 4.527 0.010 0.000 0.333 128 F C 0.040 175.908 175.800 0.113 0.000 1.095 128 F CA -0.518 57.587 58.000 0.175 0.000 1.038 128 F CB 1.243 40.298 39.000 0.092 0.000 1.156 128 F HN 0.222 8.522 8.300 -0.000 0.000 0.483 129 L N 2.792 124.198 121.223 0.304 0.000 2.333 129 L HA 0.725 5.072 4.340 0.011 0.000 0.263 129 L C -0.547 176.456 176.870 0.222 0.000 1.014 129 L CA -1.065 53.898 54.840 0.206 0.000 0.820 129 L CB 2.711 44.846 42.059 0.127 0.000 1.352 129 L HN 0.598 8.828 8.230 -0.000 0.000 0.421 130 R N 0.996 121.609 120.500 0.189 0.000 2.643 130 R HA 0.766 5.112 4.340 0.011 0.000 0.269 130 R C -2.101 174.291 176.300 0.153 0.000 1.037 130 R CA -0.556 55.644 56.100 0.167 0.000 0.894 130 R CB 2.535 32.926 30.300 0.151 0.000 1.238 130 R HN 0.446 8.716 8.270 -0.000 0.000 0.459 131 V N 0.693 120.692 119.914 0.142 0.000 2.686 131 V HA 0.898 5.025 4.120 0.011 0.000 0.306 131 V C 0.351 176.493 176.094 0.080 0.000 1.065 131 V CA 0.295 62.671 62.300 0.126 0.000 0.894 131 V CB 0.836 32.769 31.823 0.184 0.000 1.004 131 V HN 1.229 9.419 8.190 -0.000 0.000 0.424 132 G N 2.877 111.704 108.800 0.045 0.000 2.553 132 G HA2 0.314 4.280 3.960 0.011 0.000 0.242 132 G HA3 0.314 4.280 3.960 0.011 0.000 0.242 132 G C 0.981 175.891 174.900 0.017 0.000 1.277 132 G CA 0.603 45.720 45.100 0.028 0.000 0.910 132 G HN 2.791 11.081 8.290 -0.000 0.000 0.576 133 G N -1.830 106.977 108.800 0.012 0.000 2.179 133 G HA2 -0.162 3.804 3.960 0.011 0.000 0.257 133 G HA3 -0.162 3.804 3.960 0.011 0.000 0.257 133 G C 0.798 175.678 174.900 -0.033 0.000 1.010 133 G CA 1.392 46.484 45.100 -0.013 0.000 0.736 133 G HN 1.289 9.579 8.290 -0.000 0.000 0.513 134 R N 0.143 120.626 120.500 -0.028 0.000 2.609 134 R HA 0.489 4.835 4.340 0.011 0.000 0.326 134 R C 1.150 177.394 176.300 -0.094 0.000 1.090 134 R CA 0.504 56.575 56.100 -0.049 0.000 1.072 134 R CB -0.163 30.115 30.300 -0.036 0.000 1.330 134 R HN 1.691 9.961 8.270 -0.000 0.000 0.572 135 G N 0.817 109.568 108.800 -0.082 0.000 2.570 135 G HA2 -0.190 3.776 3.960 0.011 0.000 0.686 135 G HA3 -0.190 3.776 3.960 0.011 0.000 0.686 135 G C 0.507 175.335 174.900 -0.120 0.000 1.257 135 G CA -0.374 44.644 45.100 -0.136 0.000 0.846 135 G HN 0.237 8.527 8.290 -0.000 0.000 0.627 136 W N 0.526 121.714 121.300 -0.186 0.000 2.388 136 W HA 0.063 4.727 4.660 0.007 0.000 0.294 136 W C 1.710 178.164 176.519 -0.108 0.000 1.212 136 W CA 1.564 58.747 57.345 -0.270 0.000 1.271 136 W CB -0.773 28.202 29.460 -0.809 0.000 1.126 136 W HN 0.639 8.819 8.180 -0.000 0.000 0.535 137 L N 1.715 122.433 121.223 -0.841 0.000 2.023 137 L HA -0.004 4.343 4.340 0.011 0.000 0.205 137 L C 2.549 179.276 176.870 -0.238 0.000 1.073 137 L CA 1.859 56.324 54.840 -0.625 0.000 0.745 137 L CB -1.022 40.397 42.059 -1.068 0.000 0.900 137 L HN -0.080 8.150 8.230 -0.000 0.000 0.435 138 L N -2.017 119.053 121.223 -0.254 0.000 2.179 138 L HA 0.041 4.388 4.340 0.011 0.000 0.208 138 L C 1.728 178.579 176.870 -0.033 0.000 1.096 138 L CA 0.759 55.528 54.840 -0.118 0.000 0.779 138 L CB -0.376 41.608 42.059 -0.126 0.000 0.922 138 L HN 0.337 8.567 8.230 -0.000 0.000 0.443 139 S N -2.093 113.599 115.700 -0.014 0.000 4.344 139 S HA 0.203 4.679 4.470 0.011 0.000 0.236 139 S C -0.919 173.751 174.600 0.116 0.000 1.105 139 S CA -0.313 57.911 58.200 0.041 0.000 1.634 139 S CB 0.418 63.622 63.200 0.007 0.000 1.220 139 S HN 0.286 8.596 8.310 -0.000 0.000 0.740 140 D N 2.160 122.614 120.400 0.091 0.000 2.708 140 D HA -0.099 4.547 4.640 0.011 0.000 0.236 140 D C -1.147 175.231 176.300 0.130 0.000 1.146 140 D CA 0.946 55.024 54.000 0.131 0.000 0.662 140 D CB -1.585 39.333 40.800 0.196 0.000 1.059 140 D HN 0.376 8.746 8.370 -0.000 0.000 0.428 141 D N -0.061 120.329 120.400 -0.018 0.000 2.443 141 D HA 0.371 5.017 4.640 0.011 0.000 0.239 141 D C 1.814 177.851 176.300 -0.438 0.000 1.136 141 D CA 1.391 55.167 54.000 -0.373 0.000 0.879 141 D CB 0.587 41.177 40.800 -0.350 0.000 1.195 141 D HN 0.358 8.728 8.370 -0.000 0.000 0.443 142 G N 1.511 109.757 108.800 -0.923 0.000 2.166 142 G HA2 -0.285 3.682 3.960 0.011 0.000 0.260 142 G HA3 -0.285 3.682 3.960 0.011 0.000 0.260 142 G C 0.540 175.454 174.900 0.023 0.000 0.986 142 G CA 0.889 45.775 45.100 -0.356 0.000 0.683 142 G HN 0.723 9.013 8.290 -0.000 0.000 0.527 143 S N -0.916 114.845 115.700 0.102 0.000 2.681 143 S HA 0.779 5.256 4.470 0.011 0.000 0.270 143 S C 1.787 176.478 174.600 0.152 0.000 1.209 143 S CA 0.371 58.638 58.200 0.112 0.000 0.988 143 S CB 1.675 64.988 63.200 0.188 0.000 1.006 143 S HN 1.562 9.872 8.310 -0.000 0.000 0.558 144 A N 0.047 122.911 122.820 0.074 0.000 1.930 144 A HA -0.009 4.317 4.320 0.011 0.000 0.217 144 A C 1.930 179.593 177.584 0.131 0.000 1.175 144 A CA 1.499 53.570 52.037 0.057 0.000 0.627 144 A CB -1.363 17.645 19.000 0.013 0.000 0.815 144 A HN 0.984 9.134 8.150 -0.000 0.000 0.443 145 Y N -1.511 118.849 120.300 0.101 0.000 2.163 145 Y HA -0.211 4.344 4.550 0.009 0.000 0.288 145 Y C 2.166 178.160 175.900 0.157 0.000 1.136 145 Y CA 1.943 60.103 58.100 0.100 0.000 1.147 145 Y CB -0.523 38.003 38.460 0.109 0.000 0.987 145 Y HN 0.496 8.776 8.280 -0.000 0.000 0.509 146 W N 0.155 121.550 121.300 0.158 0.000 2.335 146 W HA -0.256 4.398 4.660 -0.011 0.000 0.311 146 W C 2.200 178.706 176.519 -0.022 0.000 1.213 146 W CA 2.872 60.277 57.345 0.099 0.000 1.274 146 W CB -0.615 28.934 29.460 0.149 0.000 1.148 146 W HN -0.082 8.098 8.180 -0.000 0.000 0.498 147 V N 0.967 121.101 119.914 0.367 0.000 2.343 147 V HA -0.234 3.893 4.120 0.011 0.000 0.247 147 V C 2.440 178.493 176.094 -0.069 0.000 1.051 147 V CA 2.111 64.528 62.300 0.195 0.000 1.036 147 V CB -1.648 30.311 31.823 0.227 0.000 0.654 147 V HN 0.440 8.630 8.190 -0.000 0.000 0.451 148 G N -0.393 108.339 108.800 -0.114 0.000 2.418 148 G HA2 -0.311 3.656 3.960 0.011 0.000 0.217 148 G HA3 -0.311 3.656 3.960 0.011 0.000 0.217 148 G C 1.705 176.437 174.900 -0.281 0.000 1.158 148 G CA 1.008 45.995 45.100 -0.189 0.000 0.771 148 G HN 0.463 8.753 8.290 -0.000 0.000 0.545 149 R N 0.230 120.473 120.500 -0.430 0.000 2.066 149 R HA -0.043 4.304 4.340 0.011 0.000 0.232 149 R C 2.471 178.576 176.300 -0.325 0.000 1.131 149 R CA 1.284 57.140 56.100 -0.407 0.000 0.955 149 R CB -0.150 29.861 30.300 -0.482 0.000 0.851 149 R HN 0.072 8.342 8.270 -0.000 0.000 0.432 150 K N 0.468 120.617 120.400 -0.419 0.000 2.063 150 K HA -0.118 4.208 4.320 0.011 0.000 0.208 150 K C 2.019 178.488 176.600 -0.219 0.000 1.048 150 K CA 1.503 57.562 56.287 -0.380 0.000 0.928 150 K CB -0.442 31.740 32.500 -0.529 0.000 0.713 150 K HN 0.317 8.567 8.250 -0.000 0.000 0.442 151 A N 1.452 124.162 122.820 -0.182 0.000 1.877 151 A HA -0.120 4.207 4.320 0.011 0.000 0.216 151 A C 2.383 179.889 177.584 -0.130 0.000 1.186 151 A CA 1.208 53.169 52.037 -0.127 0.000 0.620 151 A CB -0.671 18.262 19.000 -0.112 0.000 0.822 151 A HN 0.184 8.334 8.150 -0.000 0.000 0.443 152 L N -0.987 120.143 121.223 -0.155 0.000 2.042 152 L HA -0.230 4.117 4.340 0.011 0.000 0.210 152 L C 2.898 179.708 176.870 -0.100 0.000 1.076 152 L CA 1.670 56.425 54.840 -0.142 0.000 0.749 152 L CB -0.465 41.523 42.059 -0.117 0.000 0.893 152 L HN 0.375 8.605 8.230 -0.000 0.000 0.432 153 R N -0.484 119.954 120.500 -0.104 0.000 2.096 153 R HA -0.121 4.225 4.340 0.011 0.000 0.235 153 R C 2.316 178.580 176.300 -0.060 0.000 1.127 153 R CA 0.784 56.837 56.100 -0.078 0.000 0.968 153 R CB -0.167 30.073 30.300 -0.099 0.000 0.861 153 R HN 0.190 8.460 8.270 -0.000 0.000 0.440 154 K N 0.527 120.887 120.400 -0.066 0.000 2.057 154 K HA -0.045 4.281 4.320 0.011 0.000 0.206 154 K C 2.089 178.686 176.600 -0.005 0.000 1.050 154 K CA 0.870 57.134 56.287 -0.038 0.000 0.935 154 K CB -0.282 32.194 32.500 -0.039 0.000 0.715 154 K HN 0.040 8.290 8.250 -0.000 0.000 0.439 155 V N 2.248 122.157 119.914 -0.008 0.000 2.407 155 V HA -0.216 3.910 4.120 0.011 0.000 0.248 155 V C 2.396 178.529 176.094 0.066 0.000 1.055 155 V CA 1.161 63.493 62.300 0.053 0.000 1.049 155 V CB -0.405 31.389 31.823 -0.048 0.000 0.662 155 V HN 0.259 8.449 8.190 -0.000 0.000 0.455 156 L N 0.400 121.628 121.223 0.007 0.000 2.017 156 L HA -0.155 4.192 4.340 0.011 0.000 0.208 156 L C 2.408 179.287 176.870 0.014 0.000 1.073 156 L CA 2.081 56.927 54.840 0.010 0.000 0.745 156 L CB -0.941 41.112 42.059 -0.009 0.000 0.894 156 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 157 K N -0.930 119.471 120.400 0.002 0.000 2.209 157 K HA -0.159 4.167 4.320 0.011 0.000 0.204 157 K C 2.034 178.627 176.600 -0.011 0.000 1.048 157 K CA 1.314 57.597 56.287 -0.007 0.000 0.940 157 K CB -0.052 32.439 32.500 -0.014 0.000 0.729 157 K HN 0.384 8.634 8.250 -0.000 0.000 0.451 158 M N 0.009 119.609 119.600 0.000 0.000 2.156 158 M HA -0.094 4.392 4.480 0.011 0.000 0.264 158 M C 2.177 178.435 176.300 -0.071 0.000 1.067 158 M CA 1.541 56.815 55.300 -0.043 0.000 1.131 158 M CB -0.213 32.371 32.600 -0.027 0.000 1.368 158 M HN 0.126 8.416 8.290 -0.000 0.000 0.416 159 M N -0.212 119.395 119.600 0.012 0.000 2.229 159 M HA -0.178 4.308 4.480 0.011 0.000 0.264 159 M C 0.932 177.225 176.300 -0.011 0.000 1.063 159 M CA 1.114 56.426 55.300 0.020 0.000 1.114 159 M CB -0.476 32.181 32.600 0.095 0.000 1.387 159 M HN 0.113 8.403 8.290 -0.000 0.000 0.420 160 D N -0.164 120.230 120.400 -0.010 0.000 2.363 160 D HA 0.059 4.705 4.640 0.011 0.000 0.220 160 D C 1.410 177.695 176.300 -0.025 0.000 0.994 160 D CA 1.011 55.003 54.000 -0.014 0.000 0.890 160 D CB 0.098 40.893 40.800 -0.008 0.000 0.906 160 D HN 0.528 8.898 8.370 -0.000 0.000 0.530 161 G N 0.558 109.333 108.800 -0.041 0.000 2.143 161 G HA2 -0.301 3.665 3.960 0.011 0.000 0.249 161 G HA3 -0.301 3.665 3.960 0.011 0.000 0.249 161 G C 1.076 175.953 174.900 -0.038 0.000 0.981 161 G CA 0.429 45.501 45.100 -0.048 0.000 0.665 161 G HN 0.401 8.691 8.290 -0.000 0.000 0.528 162 L N -0.646 120.558 121.223 -0.031 0.000 2.240 162 L HA 0.292 4.638 4.340 0.011 0.000 0.211 162 L C 1.325 178.179 176.870 -0.028 0.000 1.106 162 L CA 1.060 55.885 54.840 -0.025 0.000 0.793 162 L CB -0.010 42.038 42.059 -0.019 0.000 0.927 162 L HN 0.399 8.629 8.230 -0.000 0.000 0.446 163 E N -0.712 119.466 120.200 -0.035 0.000 2.367 163 E HA 0.267 4.624 4.350 0.011 0.000 0.273 163 E C -0.988 175.580 176.600 -0.053 0.000 0.903 163 E CA -0.905 55.473 56.400 -0.036 0.000 0.764 163 E CB 1.280 30.964 29.700 -0.027 0.000 1.252 163 E HN 0.012 8.372 8.360 -0.000 0.000 0.446 164 N N 1.865 120.536 118.700 -0.050 0.000 2.454 164 N HA 0.028 4.774 4.740 0.011 0.000 0.254 164 N C -0.522 174.940 175.510 -0.081 0.000 1.228 164 N CA 0.405 53.416 53.050 -0.065 0.000 0.900 164 N CB 0.565 39.025 38.487 -0.046 0.000 1.089 164 N HN 0.240 8.620 8.380 -0.000 0.000 0.449 165 K N 1.036 121.356 120.400 -0.134 0.000 2.368 165 K HA 0.123 4.449 4.320 0.011 0.000 0.282 165 K C 0.729 177.285 176.600 -0.074 0.000 1.035 165 K CA -0.076 56.107 56.287 -0.174 0.000 0.973 165 K CB 0.546 32.819 32.500 -0.379 0.000 0.957 165 K HN 0.619 8.869 8.250 -0.000 0.000 0.474 166 T N -1.355 113.194 114.554 -0.008 0.000 2.841 166 T HA 0.355 4.712 4.350 0.011 0.000 0.276 166 T C 1.502 176.235 174.700 0.055 0.000 1.003 166 T CA -0.893 61.217 62.100 0.017 0.000 0.995 166 T CB 0.445 69.325 68.868 0.020 0.000 1.260 166 T HN 0.422 8.662 8.240 -0.000 0.000 0.581 167 I N 0.310 120.906 120.570 0.043 0.000 2.335 167 I HA -0.106 4.070 4.170 0.011 0.000 0.251 167 I C 2.417 178.565 176.117 0.052 0.000 1.129 167 I CA 1.055 62.383 61.300 0.046 0.000 1.402 167 I CB -0.531 37.486 38.000 0.029 0.000 1.069 167 I HN 0.476 8.686 8.210 -0.000 0.000 0.424 168 L N 0.471 121.723 121.223 0.047 0.000 2.043 168 L HA -0.292 4.055 4.340 0.011 0.000 0.212 168 L C 2.480 179.366 176.870 0.028 0.000 1.075 168 L CA 1.909 56.765 54.840 0.026 0.000 0.752 168 L CB -0.917 41.156 42.059 0.022 0.000 0.891 168 L HN 0.244 8.474 8.230 -0.000 0.000 0.432 169 Y N 0.885 121.153 120.300 -0.055 0.000 2.040 169 Y HA -0.378 4.177 4.550 0.009 0.000 0.275 169 Y C 2.306 178.161 175.900 -0.076 0.000 1.171 169 Y CA 2.566 60.626 58.100 -0.068 0.000 1.123 169 Y CB -0.610 37.816 38.460 -0.056 0.000 0.963 169 Y HN 0.424 8.704 8.280 -0.000 0.000 0.493 170 N N -0.196 118.520 118.700 0.028 0.000 2.244 170 N HA -0.145 4.602 4.740 0.011 0.000 0.183 170 N C 1.643 177.076 175.510 -0.128 0.000 1.016 170 N CA 1.202 54.203 53.050 -0.082 0.000 0.866 170 N CB -0.110 38.401 38.487 0.041 0.000 0.980 170 N HN 0.197 8.577 8.380 -0.000 0.000 0.430 171 K N 0.550 120.899 120.400 -0.085 0.000 2.057 171 K HA -0.010 4.316 4.320 0.011 0.000 0.207 171 K C 1.962 178.477 176.600 -0.141 0.000 1.049 171 K CA 0.679 56.914 56.287 -0.088 0.000 0.931 171 K CB -0.641 31.829 32.500 -0.050 0.000 0.714 171 K HN 0.096 8.346 8.250 -0.000 0.000 0.440 172 V N 1.509 121.312 119.914 -0.185 0.000 2.270 172 V HA -0.225 3.901 4.120 0.011 0.000 0.245 172 V C 2.404 178.305 176.094 -0.321 0.000 1.043 172 V CA 1.319 63.472 62.300 -0.245 0.000 1.014 172 V CB -0.439 31.227 31.823 -0.262 0.000 0.645 172 V HN 0.085 8.275 8.190 -0.000 0.000 0.447 173 L N -0.138 120.854 121.223 -0.386 0.000 2.079 173 L HA -0.186 4.160 4.340 0.011 0.000 0.210 173 L C 2.365 179.068 176.870 -0.278 0.000 1.081 173 L CA 1.860 56.464 54.840 -0.394 0.000 0.752 173 L CB -0.887 40.889 42.059 -0.471 0.000 0.896 173 L HN 0.303 8.533 8.230 -0.000 0.000 0.433 174 K N -1.419 118.853 120.400 -0.213 0.000 2.057 174 K HA -0.099 4.228 4.320 0.011 0.000 0.206 174 K C 2.012 178.528 176.600 -0.139 0.000 1.050 174 K CA 1.658 57.857 56.287 -0.147 0.000 0.935 174 K CB -0.405 32.032 32.500 -0.105 0.000 0.715 174 K HN 0.281 8.531 8.250 -0.000 0.000 0.439 175 T N 2.165 116.627 114.554 -0.154 0.000 2.720 175 T HA -0.114 4.242 4.350 0.011 0.000 0.268 175 T C 1.787 176.401 174.700 -0.144 0.000 1.037 175 T CA 1.504 63.526 62.100 -0.130 0.000 1.144 175 T CB -0.208 68.583 68.868 -0.129 0.000 0.864 175 T HN 0.388 8.628 8.240 -0.000 0.000 0.444 176 I N -0.900 119.523 120.570 -0.245 0.000 3.875 176 I HA 0.376 4.552 4.170 0.011 0.000 0.329 176 I C 0.311 176.290 176.117 -0.230 0.000 1.295 176 I CA -0.277 60.852 61.300 -0.284 0.000 1.129 176 I CB -0.581 36.996 38.000 -0.704 0.000 1.008 176 I HN 0.036 8.246 8.210 -0.000 0.000 0.413 177 N N 1.983 120.574 118.700 -0.181 0.000 2.696 177 N HA -0.156 4.590 4.740 0.011 0.000 0.256 177 N C -0.703 174.725 175.510 -0.135 0.000 1.031 177 N CA 1.023 53.998 53.050 -0.125 0.000 0.730 177 N CB -1.022 37.430 38.487 -0.058 0.000 0.894 177 N HN 0.602 8.982 8.380 -0.000 0.000 0.544 178 V N -1.737 118.058 119.914 -0.199 0.000 2.876 178 V HA 0.661 4.787 4.120 0.011 0.000 0.312 178 V C 0.983 176.976 176.094 -0.169 0.000 1.085 178 V CA -0.240 61.953 62.300 -0.178 0.000 0.945 178 V CB 2.134 33.804 31.823 -0.255 0.000 1.017 178 V HN 0.330 8.520 8.190 -0.000 0.000 0.428 179 K N 0.595 120.928 120.400 -0.111 0.000 2.355 179 K HA 0.435 4.762 4.320 0.011 0.000 0.198 179 K C -0.291 176.274 176.600 -0.058 0.000 1.039 179 K CA 0.323 56.558 56.287 -0.087 0.000 1.075 179 K CB 0.275 32.748 32.500 -0.045 0.000 0.870 179 K HN 0.909 9.159 8.250 -0.000 0.000 0.540 180 D N -0.833 119.531 120.400 -0.060 0.000 2.779 180 D HA -0.032 4.615 4.640 0.011 0.000 0.331 180 D C 0.423 176.708 176.300 -0.024 0.000 1.331 180 D CA -0.854 53.141 54.000 -0.009 0.000 0.866 180 D CB 0.329 41.138 40.800 0.015 0.000 1.409 180 D HN -0.104 8.266 8.370 -0.000 0.000 0.486 181 L N 0.564 121.792 121.223 0.009 0.000 2.012 181 L HA -0.074 4.272 4.340 0.011 0.000 0.210 181 L C 1.284 178.141 176.870 -0.023 0.000 1.073 181 L CA 2.181 57.018 54.840 -0.005 0.000 0.748 181 L CB -0.989 41.078 42.059 0.013 0.000 0.891 181 L HN 0.446 8.676 8.230 -0.000 0.000 0.431 182 D N -0.213 120.180 120.400 -0.012 0.000 2.116 182 D HA -0.220 4.427 4.640 0.011 0.000 0.193 182 D C 2.044 178.329 176.300 -0.024 0.000 0.998 182 D CA 1.806 55.798 54.000 -0.012 0.000 0.836 182 D CB -0.018 40.785 40.800 0.004 0.000 0.951 182 D HN 0.592 8.962 8.370 -0.000 0.000 0.449 183 E N -0.070 120.116 120.200 -0.023 0.000 2.152 183 E HA -0.106 4.251 4.350 0.011 0.000 0.192 183 E C 2.097 178.689 176.600 -0.013 0.000 0.983 183 E CA 0.010 56.401 56.400 -0.016 0.000 0.818 183 E CB 0.029 29.713 29.700 -0.026 0.000 0.758 183 E HN 0.101 8.461 8.360 -0.000 0.000 0.467 184 L N 0.742 121.933 121.223 -0.053 0.000 2.056 184 L HA -0.132 4.214 4.340 0.011 0.000 0.207 184 L C 2.145 179.022 176.870 0.011 0.000 1.078 184 L CA 1.316 56.125 54.840 -0.050 0.000 0.749 184 L CB -0.265 41.729 42.059 -0.107 0.000 0.901 184 L HN -0.085 8.145 8.230 -0.000 0.000 0.433 185 V N -0.742 119.113 119.914 -0.098 0.000 2.307 185 V HA -0.294 3.833 4.120 0.011 0.000 0.245 185 V C 2.640 178.393 176.094 -0.569 0.000 1.045 185 V CA 1.773 63.900 62.300 -0.287 0.000 1.024 185 V CB -0.560 31.102 31.823 -0.268 0.000 0.651 185 V HN 0.412 8.602 8.190 -0.000 0.000 0.449 186 M N -1.378 118.028 119.600 -0.323 0.000 2.108 186 M HA -0.228 4.259 4.480 0.011 0.000 0.261 186 M C 2.002 178.259 176.300 -0.071 0.000 1.066 186 M CA 1.853 57.035 55.300 -0.197 0.000 1.107 186 M CB -1.127 31.485 32.600 0.020 0.000 1.356 186 M HN 0.661 8.951 8.290 -0.000 0.000 0.406 187 W N 1.166 122.358 121.300 -0.181 0.000 2.358 187 W HA -0.235 4.430 4.660 0.008 0.000 0.303 187 W C 2.655 179.103 176.519 -0.119 0.000 1.208 187 W CA 2.604 59.878 57.345 -0.117 0.000 1.274 187 W CB -0.408 28.983 29.460 -0.115 0.000 1.138 187 W HN 0.413 8.593 8.180 -0.000 0.000 0.515 188 S N -0.735 114.948 115.700 -0.028 0.000 2.382 188 S HA -0.302 4.174 4.470 0.011 0.000 0.228 188 S C 1.716 176.216 174.600 -0.167 0.000 1.027 188 S CA 1.425 59.520 58.200 -0.175 0.000 0.991 188 S CB -1.355 61.809 63.200 -0.060 0.000 0.823 188 S HN 0.353 8.663 8.310 -0.000 0.000 0.469 189 Y N 3.161 123.399 120.300 -0.104 0.000 2.274 189 Y HA -0.009 4.547 4.550 0.011 0.000 0.290 189 Y C 2.974 178.781 175.900 -0.155 0.000 1.145 189 Y CA 0.938 58.978 58.100 -0.099 0.000 1.203 189 Y CB -1.340 37.089 38.460 -0.052 0.000 0.984 189 Y HN 0.659 8.939 8.280 -0.000 0.000 0.533 190 T N -6.310 108.192 114.554 -0.087 0.000 3.010 190 T HA 0.187 4.543 4.350 0.011 0.000 0.257 190 T C 1.285 175.782 174.700 -0.339 0.000 1.020 190 T CA 0.552 62.551 62.100 -0.168 0.000 0.938 190 T CB -0.151 68.644 68.868 -0.121 0.000 1.049 190 T HN 0.080 8.320 8.240 -0.000 0.000 0.522 191 S N 0.675 116.012 115.700 -0.605 0.000 2.578 191 S HA 0.240 4.717 4.470 0.011 0.000 0.228 191 S C 1.837 176.053 174.600 -0.640 0.000 1.022 191 S CA -0.144 57.578 58.200 -0.797 0.000 0.967 191 S CB 0.192 62.383 63.200 -1.683 0.000 0.914 191 S HN 0.389 8.699 8.310 -0.000 0.000 0.515 192 S N 1.168 116.582 115.700 -0.477 0.000 2.402 192 S HA -0.133 4.344 4.470 0.011 0.000 0.233 192 S C 1.274 175.713 174.600 -0.268 0.000 1.030 192 S CA 1.101 59.124 58.200 -0.295 0.000 1.003 192 S CB -0.305 62.807 63.200 -0.147 0.000 0.813 192 S HN 0.647 8.957 8.310 -0.000 0.000 0.477 193 C N 1.712 120.861 119.300 -0.251 0.000 2.668 193 C HA 0.341 4.807 4.460 0.011 0.000 0.301 193 C C 0.459 175.282 174.990 -0.278 0.000 1.351 193 C CA -0.688 58.166 59.018 -0.273 0.000 1.757 193 C CB -1.222 26.452 27.740 -0.112 0.000 2.179 193 C HN 0.477 8.707 8.230 -0.000 0.000 0.586 194 Q N 1.126 120.763 119.800 -0.271 0.000 2.569 194 Q HA 0.229 4.576 4.340 0.011 0.000 0.226 194 Q C 0.852 176.751 176.000 -0.168 0.000 1.136 194 Q CA -0.357 55.325 55.803 -0.201 0.000 0.947 194 Q CB 0.672 29.299 28.738 -0.185 0.000 1.218 194 Q HN 0.406 8.676 8.270 -0.000 0.000 0.547 195 I N 0.915 121.348 120.570 -0.229 0.000 2.113 195 I HA -0.339 3.837 4.170 0.011 0.000 0.242 195 I C 1.489 177.619 176.117 0.022 0.000 1.064 195 I CA 1.549 62.747 61.300 -0.169 0.000 1.320 195 I CB -0.814 37.011 38.000 -0.290 0.000 1.028 195 I HN 0.490 8.700 8.210 -0.000 0.000 0.406 196 D N 0.753 121.147 120.400 -0.010 0.000 2.133 196 D HA -0.181 4.465 4.640 0.011 0.000 0.195 196 D C 2.457 178.784 176.300 0.045 0.000 0.997 196 D CA 0.939 54.953 54.000 0.022 0.000 0.840 196 D CB -0.355 40.447 40.800 0.004 0.000 0.947 196 D HN 0.290 8.660 8.370 -0.000 0.000 0.452 197 L N 0.304 121.553 121.223 0.043 0.000 2.017 197 L HA -0.180 4.166 4.340 0.011 0.000 0.208 197 L C 2.416 179.370 176.870 0.141 0.000 1.073 197 L CA 0.894 55.795 54.840 0.101 0.000 0.745 197 L CB -0.139 41.987 42.059 0.112 0.000 0.894 197 L HN -0.050 8.180 8.230 -0.000 0.000 0.432 198 V N -0.083 119.905 119.914 0.123 0.000 2.343 198 V HA -0.310 3.816 4.120 0.011 0.000 0.247 198 V C 2.697 178.782 176.094 -0.015 0.000 1.051 198 V CA 1.778 64.113 62.300 0.058 0.000 1.036 198 V CB -0.937 30.832 31.823 -0.090 0.000 0.654 198 V HN 0.563 8.753 8.190 -0.000 0.000 0.451 199 A N 0.713 123.570 122.820 0.062 0.000 1.972 199 A HA -0.193 4.134 4.320 0.011 0.000 0.219 199 A C 2.488 180.083 177.584 0.018 0.000 1.169 199 A CA 1.999 54.071 52.037 0.059 0.000 0.635 199 A CB -0.708 18.363 19.000 0.120 0.000 0.810 199 A HN 0.710 8.860 8.150 -0.000 0.000 0.446 200 S N 0.009 115.722 115.700 0.022 0.000 2.469 200 S HA -0.080 4.397 4.470 0.011 0.000 0.238 200 S C 1.655 176.242 174.600 -0.022 0.000 0.998 200 S CA 1.267 59.470 58.200 0.004 0.000 0.957 200 S CB -0.753 62.456 63.200 0.015 0.000 0.764 200 S HN 0.517 8.827 8.310 -0.000 0.000 0.514 201 I N 1.843 122.391 120.570 -0.037 0.000 2.676 201 I HA -0.059 4.117 4.170 0.011 0.000 0.259 201 I C 2.901 178.983 176.117 -0.057 0.000 1.194 201 I CA 0.719 61.975 61.300 -0.072 0.000 1.473 201 I CB -0.588 37.344 38.000 -0.112 0.000 1.096 201 I HN 0.403 8.613 8.210 -0.000 0.000 0.443 202 A N 0.928 123.725 122.820 -0.039 0.000 1.986 202 A HA -0.284 4.042 4.320 0.011 0.000 0.220 202 A C 2.260 179.832 177.584 -0.022 0.000 1.171 202 A CA 1.863 53.886 52.037 -0.023 0.000 0.640 202 A CB -0.417 18.568 19.000 -0.025 0.000 0.811 202 A HN 0.240 8.390 8.150 -0.000 0.000 0.451 203 K N -0.200 120.184 120.400 -0.027 0.000 2.057 203 K HA -0.025 4.302 4.320 0.011 0.000 0.207 203 K C 2.096 178.684 176.600 -0.020 0.000 1.049 203 K CA 1.410 57.684 56.287 -0.022 0.000 0.931 203 K CB -0.425 32.061 32.500 -0.023 0.000 0.714 203 K HN 0.412 8.662 8.250 -0.000 0.000 0.440 204 A N -0.111 122.688 122.820 -0.035 0.000 1.930 204 A HA -0.097 4.229 4.320 0.011 0.000 0.217 204 A C 2.216 179.787 177.584 -0.022 0.000 1.175 204 A CA 1.583 53.595 52.037 -0.041 0.000 0.627 204 A CB -0.565 18.390 19.000 -0.074 0.000 0.815 204 A HN 0.105 8.255 8.150 -0.000 0.000 0.443 205 V N 0.451 120.357 119.914 -0.013 0.000 2.358 205 V HA -0.244 3.882 4.120 0.011 0.000 0.246 205 V C 2.331 178.449 176.094 0.040 0.000 1.047 205 V CA 2.391 64.700 62.300 0.014 0.000 1.035 205 V CB -0.810 31.030 31.823 0.028 0.000 0.658 205 V HN 0.685 8.875 8.190 -0.000 0.000 0.452 206 D N 0.101 120.524 120.400 0.038 0.000 2.117 206 D HA -0.188 4.458 4.640 0.011 0.000 0.197 206 D C 2.161 178.487 176.300 0.043 0.000 0.987 206 D CA 1.569 55.602 54.000 0.054 0.000 0.829 206 D CB -0.059 40.765 40.800 0.040 0.000 0.961 206 D HN 0.536 8.906 8.370 -0.000 0.000 0.460 207 E N -0.162 120.051 120.200 0.022 0.000 2.058 207 E HA -0.197 4.160 4.350 0.011 0.000 0.194 207 E C 2.151 178.765 176.600 0.022 0.000 0.997 207 E CA 1.064 57.474 56.400 0.016 0.000 0.801 207 E CB -0.211 29.490 29.700 0.001 0.000 0.746 207 E HN 0.363 8.723 8.360 -0.000 0.000 0.450 208 A N 1.429 124.261 122.820 0.021 0.000 1.883 208 A HA -0.167 4.160 4.320 0.011 0.000 0.217 208 A C 2.394 180.004 177.584 0.042 0.000 1.186 208 A CA 1.879 53.932 52.037 0.026 0.000 0.624 208 A CB -0.734 18.279 19.000 0.022 0.000 0.822 208 A HN 0.312 8.462 8.150 -0.000 0.000 0.444 209 A N 0.030 122.885 122.820 0.058 0.000 1.902 209 A HA -0.190 4.136 4.320 0.011 0.000 0.217 209 A C 1.883 179.510 177.584 0.071 0.000 1.181 209 A CA 1.744 53.828 52.037 0.080 0.000 0.623 209 A CB -0.626 18.443 19.000 0.115 0.000 0.818 209 A HN 0.533 8.683 8.150 -0.000 0.000 0.443 210 N N 0.069 118.804 118.700 0.059 0.000 2.381 210 N HA -0.098 4.648 4.740 0.011 0.000 0.182 210 N C 1.028 176.561 175.510 0.038 0.000 1.025 210 N CA 1.033 54.111 53.050 0.047 0.000 0.888 210 N CB -0.231 38.280 38.487 0.039 0.000 0.965 210 N HN 0.662 9.042 8.380 -0.000 0.000 0.438 211 E N -0.494 119.727 120.200 0.035 0.000 2.437 211 E HA 0.177 4.533 4.350 0.011 0.000 0.189 211 E C 0.489 177.108 176.600 0.032 0.000 1.054 211 E CA -0.128 56.289 56.400 0.028 0.000 0.874 211 E CB 0.091 29.804 29.700 0.023 0.000 1.011 211 E HN 0.316 8.676 8.360 -0.000 0.000 0.474 212 G N 2.477 111.302 108.800 0.042 0.000 2.136 212 G HA2 -0.252 3.714 3.960 0.011 0.000 0.242 212 G HA3 -0.252 3.714 3.960 0.011 0.000 0.242 212 G C -0.153 174.774 174.900 0.046 0.000 0.989 212 G CA 0.186 45.313 45.100 0.045 0.000 0.682 212 G HN 0.329 8.619 8.290 -0.000 0.000 0.522 213 D N 0.378 120.806 120.400 0.046 0.000 2.339 213 D HA 0.455 5.101 4.640 0.011 0.000 0.256 213 D C 1.751 178.081 176.300 0.050 0.000 1.214 213 D CA 0.553 54.578 54.000 0.042 0.000 0.877 213 D CB 0.593 41.416 40.800 0.038 0.000 1.111 213 D HN 0.065 8.435 8.370 -0.000 0.000 0.478 214 T N 2.794 117.373 114.554 0.042 0.000 2.759 214 T HA -0.122 4.234 4.350 0.011 0.000 0.269 214 T C 1.983 176.705 174.700 0.036 0.000 1.042 214 T CA 1.072 63.197 62.100 0.042 0.000 1.140 214 T CB 0.039 68.924 68.868 0.029 0.000 0.864 214 T HN 0.344 8.584 8.240 -0.000 0.000 0.455 215 V N 1.556 121.487 119.914 0.028 0.000 2.343 215 V HA -0.150 3.976 4.120 0.011 0.000 0.247 215 V C 2.843 178.956 176.094 0.032 0.000 1.051 215 V CA 1.697 64.010 62.300 0.021 0.000 1.036 215 V CB -1.127 30.704 31.823 0.014 0.000 0.654 215 V HN 0.534 8.724 8.190 -0.000 0.000 0.451 216 A N -0.747 122.100 122.820 0.045 0.000 1.968 216 A HA -0.146 4.181 4.320 0.011 0.000 0.217 216 A C 2.244 179.885 177.584 0.096 0.000 1.169 216 A CA 1.837 53.911 52.037 0.061 0.000 0.638 216 A CB -0.439 18.595 19.000 0.057 0.000 0.812 216 A HN 0.507 8.657 8.150 -0.000 0.000 0.446 217 M N -0.268 119.394 119.600 0.103 0.000 2.175 217 M HA -0.159 4.328 4.480 0.011 0.000 0.264 217 M C 1.763 178.111 176.300 0.080 0.000 1.063 217 M CA 2.436 57.827 55.300 0.153 0.000 1.119 217 M CB -0.227 32.478 32.600 0.175 0.000 1.377 217 M HN 0.487 8.777 8.290 -0.000 0.000 0.415 218 D N 0.226 120.644 120.400 0.030 0.000 2.117 218 D HA -0.158 4.488 4.640 0.011 0.000 0.197 218 D C 1.737 178.055 176.300 0.030 0.000 0.987 218 D CA 1.528 55.516 54.000 -0.020 0.000 0.829 218 D CB -0.138 40.657 40.800 -0.008 0.000 0.961 218 D HN 0.499 8.869 8.370 -0.000 0.000 0.460 219 I N 0.063 120.685 120.570 0.086 0.000 2.179 219 I HA -0.234 3.942 4.170 0.011 0.000 0.242 219 I C 2.330 178.614 176.117 0.278 0.000 1.088 219 I CA 0.739 62.143 61.300 0.175 0.000 1.357 219 I CB -0.226 37.843 38.000 0.115 0.000 1.051 219 I HN 0.163 8.373 8.210 -0.000 0.000 0.409 220 L N 0.576 121.937 121.223 0.231 0.000 2.046 220 L HA -0.231 4.116 4.340 0.011 0.000 0.208 220 L C 2.655 179.620 176.870 0.159 0.000 1.077 220 L CA 1.454 56.479 54.840 0.308 0.000 0.747 220 L CB -0.630 41.636 42.059 0.344 0.000 0.896 220 L HN 0.248 8.478 8.230 -0.000 0.000 0.432 221 K N -0.342 120.045 120.400 -0.022 0.000 2.026 221 K HA -0.210 4.116 4.320 0.011 0.000 0.208 221 K C 2.254 178.702 176.600 -0.254 0.000 1.048 221 K CA 1.260 57.310 56.287 -0.395 0.000 0.929 221 K CB 0.076 31.950 32.500 -1.045 0.000 0.713 221 K HN 0.196 8.446 8.250 -0.000 0.000 0.439 222 Q N -0.124 119.611 119.800 -0.109 0.000 2.079 222 Q HA -0.074 4.272 4.340 0.011 0.000 0.200 222 Q C 2.243 178.153 176.000 -0.151 0.000 0.974 222 Q CA 1.770 57.544 55.803 -0.047 0.000 0.840 222 Q CB -0.681 28.137 28.738 0.133 0.000 0.898 222 Q HN 0.550 8.820 8.270 -0.000 0.000 0.430 223 G N 0.795 109.520 108.800 -0.124 0.000 2.418 223 G HA2 -0.158 3.808 3.960 0.011 0.000 0.217 223 G HA3 -0.158 3.808 3.960 0.011 0.000 0.217 223 G C 1.584 176.248 174.900 -0.394 0.000 1.158 223 G CA 1.229 45.960 45.100 -0.615 0.000 0.771 223 G HN 0.458 8.748 8.290 -0.000 0.000 0.545 224 A N 0.846 123.451 122.820 -0.359 0.000 1.902 224 A HA -0.034 4.293 4.320 0.011 0.000 0.217 224 A C 2.163 179.371 177.584 -0.627 0.000 1.181 224 A CA 1.949 53.619 52.037 -0.612 0.000 0.623 224 A CB -0.390 18.157 19.000 -0.754 0.000 0.818 224 A HN 0.454 8.604 8.150 -0.000 0.000 0.443 225 E N -0.447 119.431 120.200 -0.537 0.000 2.152 225 E HA -0.068 4.288 4.350 0.011 0.000 0.192 225 E C 1.942 178.097 176.600 -0.740 0.000 0.983 225 E CA 0.672 56.649 56.400 -0.706 0.000 0.818 225 E CB -0.197 29.269 29.700 -0.390 0.000 0.758 225 E HN 0.605 8.965 8.360 -0.000 0.000 0.467 226 L N 0.436 121.355 121.223 -0.507 0.000 2.017 226 L HA -0.190 4.157 4.340 0.011 0.000 0.208 226 L C 2.434 179.070 176.870 -0.389 0.000 1.073 226 L CA 0.587 55.181 54.840 -0.409 0.000 0.745 226 L CB -0.173 41.639 42.059 -0.411 0.000 0.894 226 L HN 0.218 8.448 8.230 -0.000 0.000 0.432 227 L N -0.257 120.746 121.223 -0.367 0.000 2.072 227 L HA -0.052 4.295 4.340 0.011 0.000 0.205 227 L C 2.582 179.309 176.870 -0.237 0.000 1.079 227 L CA 1.893 56.640 54.840 -0.154 0.000 0.752 227 L CB -0.732 41.404 42.059 0.128 0.000 0.906 227 L HN 0.128 8.358 8.230 -0.000 0.000 0.436 228 A N -0.762 121.579 122.820 -0.798 0.000 1.940 228 A HA -0.232 4.094 4.320 0.011 0.000 0.219 228 A C 2.479 179.728 177.584 -0.560 0.000 1.176 228 A CA 2.057 53.447 52.037 -1.079 0.000 0.631 228 A CB -1.102 16.890 19.000 -1.679 0.000 0.814 228 A HN 0.668 8.818 8.150 -0.000 0.000 0.446 229 S N -0.328 114.959 115.700 -0.688 0.000 2.382 229 S HA -0.262 4.214 4.470 0.011 0.000 0.228 229 S C 1.889 176.472 174.600 -0.028 0.000 1.027 229 S CA 1.472 59.510 58.200 -0.269 0.000 0.991 229 S CB -0.573 62.480 63.200 -0.246 0.000 0.823 229 S HN 0.707 9.017 8.310 -0.000 0.000 0.469 230 Q N 0.952 120.720 119.800 -0.054 0.000 2.230 230 Q HA 0.160 4.507 4.340 0.011 0.000 0.202 230 Q C 2.541 178.652 176.000 0.186 0.000 0.963 230 Q CA 1.142 56.987 55.803 0.071 0.000 0.866 230 Q CB -0.437 28.319 28.738 0.030 0.000 0.931 230 Q HN 0.787 9.057 8.270 -0.000 0.000 0.452 231 A N 0.343 123.255 122.820 0.154 0.000 1.929 231 A HA -0.089 4.237 4.320 0.011 0.000 0.216 231 A C 2.297 179.989 177.584 0.180 0.000 1.176 231 A CA 0.920 53.082 52.037 0.209 0.000 0.628 231 A CB -0.477 18.704 19.000 0.302 0.000 0.816 231 A HN 0.183 8.333 8.150 -0.000 0.000 0.444 232 V N -1.072 118.944 119.914 0.171 0.000 2.295 232 V HA -0.291 3.835 4.120 0.011 0.000 0.246 232 V C 2.359 178.545 176.094 0.154 0.000 1.049 232 V CA 2.123 64.520 62.300 0.161 0.000 1.024 232 V CB -1.107 30.838 31.823 0.204 0.000 0.648 232 V HN 0.732 8.922 8.190 -0.000 0.000 0.447 233 Y N 0.531 120.869 120.300 0.064 0.000 2.081 233 Y HA -0.287 4.271 4.550 0.014 0.000 0.280 233 Y C 2.220 178.152 175.900 0.053 0.000 1.163 233 Y CA 2.123 60.252 58.100 0.050 0.000 1.135 233 Y CB -0.378 38.106 38.460 0.040 0.000 0.970 233 Y HN 0.198 8.478 8.280 -0.000 0.000 0.498 234 L N 0.533 121.756 121.223 0.000 0.000 2.056 234 L HA -0.021 4.326 4.340 0.011 0.000 0.207 234 L C 2.573 179.399 176.870 -0.074 0.000 1.078 234 L CA 1.910 56.687 54.840 -0.106 0.000 0.749 234 L CB -1.334 40.784 42.059 0.098 0.000 0.901 234 L HN 0.341 8.571 8.230 -0.000 0.000 0.433 235 A N -0.590 122.236 122.820 0.010 0.000 1.883 235 A HA -0.224 4.103 4.320 0.011 0.000 0.217 235 A C 2.317 179.882 177.584 -0.032 0.000 1.186 235 A CA 1.633 53.680 52.037 0.016 0.000 0.624 235 A CB -0.499 18.530 19.000 0.049 0.000 0.822 235 A HN 0.368 8.518 8.150 -0.000 0.000 0.444 236 R N 0.047 120.512 120.500 -0.057 0.000 2.081 236 R HA -0.057 4.289 4.340 0.011 0.000 0.235 236 R C 1.977 178.203 176.300 -0.122 0.000 1.131 236 R CA 1.588 57.644 56.100 -0.073 0.000 0.960 236 R CB -0.639 29.628 30.300 -0.055 0.000 0.856 236 R HN 0.626 8.896 8.270 -0.000 0.000 0.436 237 K N 0.145 120.411 120.400 -0.224 0.000 2.097 237 K HA 0.020 4.346 4.320 0.011 0.000 0.205 237 K C 2.005 178.524 176.600 -0.134 0.000 1.050 237 K CA 0.718 56.871 56.287 -0.223 0.000 0.938 237 K CB -0.005 32.271 32.500 -0.373 0.000 0.718 237 K HN 0.060 8.310 8.250 -0.000 0.000 0.442 238 I N 0.034 120.541 120.570 -0.105 0.000 2.439 238 I HA -0.076 4.101 4.170 0.011 0.000 0.251 238 I C 1.376 177.457 176.117 -0.061 0.000 1.139 238 I CA 1.315 62.574 61.300 -0.068 0.000 1.438 238 I CB -0.900 37.088 38.000 -0.019 0.000 1.085 238 I HN 0.449 8.659 8.210 -0.000 0.000 0.427 239 G N 1.350 110.120 108.800 -0.051 0.000 2.140 239 G HA2 -0.205 3.761 3.960 0.011 0.000 0.211 239 G HA3 -0.205 3.761 3.960 0.011 0.000 0.211 239 G C 0.402 175.290 174.900 -0.020 0.000 1.013 239 G CA 0.472 45.549 45.100 -0.039 0.000 0.705 239 G HN 0.441 8.731 8.290 -0.000 0.000 0.508 240 T N -0.839 113.712 114.554 -0.006 0.000 2.940 240 T HA 0.620 4.977 4.350 0.011 0.000 0.288 240 T C 0.891 175.595 174.700 0.007 0.000 1.033 240 T CA -0.313 61.793 62.100 0.011 0.000 1.033 240 T CB 0.913 69.805 68.868 0.041 0.000 1.079 240 T HN 0.039 8.279 8.240 -0.000 0.000 0.496 241 N N 1.714 120.416 118.700 0.003 0.000 2.187 241 N HA 0.163 4.909 4.740 0.011 0.000 0.212 241 N C -0.432 175.068 175.510 -0.017 0.000 1.152 241 N CA -0.008 53.039 53.050 -0.005 0.000 0.872 241 N CB 0.738 39.220 38.487 -0.009 0.000 1.025 241 N HN 0.571 8.951 8.380 -0.000 0.000 0.514 242 K N 0.643 121.028 120.400 -0.025 0.000 2.464 242 K HA 0.482 4.808 4.320 0.011 0.000 0.253 242 K C -1.014 175.529 176.600 -0.094 0.000 0.933 242 K CA -0.697 55.537 56.287 -0.089 0.000 0.801 242 K CB 2.137 34.549 32.500 -0.147 0.000 1.271 242 K HN -0.167 8.083 8.250 -0.000 0.000 0.430 243 V N 0.193 120.019 119.914 -0.147 0.000 2.789 243 V HA 0.600 4.727 4.120 0.011 0.000 0.311 243 V C -1.403 174.544 176.094 -0.244 0.000 1.073 243 V CA -0.838 61.417 62.300 -0.075 0.000 0.921 243 V CB 1.022 32.887 31.823 0.070 0.000 1.009 243 V HN 0.776 8.966 8.190 -0.000 0.000 0.426 244 Y N 3.406 123.716 120.300 0.016 0.000 2.352 244 Y HA 0.757 5.314 4.550 0.011 0.000 0.326 244 Y C 0.151 175.969 175.900 -0.137 0.000 1.166 244 Y CA -0.693 57.382 58.100 -0.041 0.000 1.182 244 Y CB 1.813 40.270 38.460 -0.005 0.000 1.216 244 Y HN 0.581 8.861 8.280 -0.000 0.000 0.474 245 L N 4.149 125.279 121.223 -0.155 0.000 2.325 245 L HA 0.596 4.943 4.340 0.011 0.000 0.281 245 L C -0.685 175.940 176.870 -0.408 0.000 1.004 245 L CA -0.692 53.802 54.840 -0.576 0.000 0.823 245 L CB 1.447 42.779 42.059 -1.212 0.000 1.236 245 L HN 0.584 8.814 8.230 -0.000 0.000 0.415 246 K N 1.852 122.149 120.400 -0.172 0.000 2.480 246 K HA 0.893 5.220 4.320 0.011 0.000 0.258 246 K C -0.541 176.223 176.600 0.273 0.000 0.990 246 K CA -0.971 55.348 56.287 0.053 0.000 0.857 246 K CB 2.821 35.350 32.500 0.050 0.000 1.384 246 K HN 0.740 8.990 8.250 -0.000 0.000 0.446 247 G N -0.531 108.391 108.800 0.204 0.000 2.539 247 G HA2 -0.020 3.947 3.960 0.011 0.000 0.686 247 G HA3 -0.020 3.947 3.960 0.011 0.000 0.686 247 G C 0.501 175.466 174.900 0.109 0.000 1.258 247 G CA -0.438 44.755 45.100 0.154 0.000 0.846 247 G HN 0.706 8.996 8.290 -0.000 0.000 0.647 248 G N -0.215 108.595 108.800 0.017 0.000 2.450 248 G HA2 -0.098 3.869 3.960 0.011 0.000 0.220 248 G HA3 -0.098 3.869 3.960 0.011 0.000 0.220 248 G C 1.866 176.699 174.900 -0.113 0.000 1.130 248 G CA 2.024 47.108 45.100 -0.027 0.000 0.760 248 G HN 0.604 8.894 8.290 -0.000 0.000 0.557 249 M N 0.004 119.440 119.600 -0.274 0.000 2.213 249 M HA 0.106 4.592 4.480 0.011 0.000 0.263 249 M C 1.962 177.931 176.300 -0.552 0.000 1.062 249 M CA 0.556 55.485 55.300 -0.619 0.000 1.105 249 M CB -1.073 30.828 32.600 -1.165 0.000 1.385 249 M HN 0.298 8.588 8.290 -0.000 0.000 0.417 250 F N -0.403 119.492 119.950 -0.091 0.000 2.771 250 F HA -0.017 4.517 4.527 0.012 0.000 0.299 250 F C 2.108 177.924 175.800 0.027 0.000 1.177 250 F CA 0.369 58.412 58.000 0.070 0.000 1.450 250 F CB -0.378 38.662 39.000 0.066 0.000 1.114 250 F HN 0.129 8.429 8.300 -0.000 0.000 0.587 251 R N -0.632 119.921 120.500 0.089 0.000 2.276 251 R HA 0.005 4.351 4.340 0.011 0.000 0.203 251 R C 1.007 177.339 176.300 0.055 0.000 1.017 251 R CA 0.268 56.399 56.100 0.051 0.000 1.010 251 R CB -0.065 30.245 30.300 0.017 0.000 0.900 251 R HN 0.024 8.294 8.270 -0.000 0.000 0.469 252 S N 1.287 117.028 115.700 0.068 0.000 2.448 252 S HA 0.028 4.504 4.470 0.011 0.000 0.279 252 S C 1.081 175.794 174.600 0.188 0.000 1.195 252 S CA -0.692 57.571 58.200 0.106 0.000 1.051 252 S CB 0.704 63.967 63.200 0.104 0.000 0.948 252 S HN 0.244 8.554 8.310 -0.000 0.000 0.493 253 N N 5.397 124.180 118.700 0.138 0.000 2.104 253 N HA -0.143 4.603 4.740 0.011 0.000 0.190 253 N C 1.381 176.989 175.510 0.162 0.000 1.024 253 N CA 1.511 54.647 53.050 0.144 0.000 0.853 253 N CB -0.143 38.392 38.487 0.079 0.000 1.008 253 N HN 0.676 9.056 8.380 -0.000 0.000 0.424 254 I N 0.576 121.232 120.570 0.144 0.000 2.252 254 I HA -0.223 3.954 4.170 0.011 0.000 0.245 254 I C 2.265 178.516 176.117 0.223 0.000 1.102 254 I CA 0.846 62.215 61.300 0.115 0.000 1.385 254 I CB -1.705 36.407 38.000 0.187 0.000 1.064 254 I HN 0.171 8.381 8.210 -0.000 0.000 0.414 255 Y N 1.521 121.930 120.300 0.181 0.000 2.145 255 Y HA -0.290 4.266 4.550 0.011 0.000 0.286 255 Y C 3.078 179.132 175.900 0.257 0.000 1.145 255 Y CA 2.178 60.400 58.100 0.203 0.000 1.148 255 Y CB -0.549 37.951 38.460 0.067 0.000 0.981 255 Y HN 0.243 8.523 8.280 -0.000 0.000 0.507 256 H N 0.689 119.986 119.070 0.378 0.000 2.353 256 H HA -0.175 4.388 4.556 0.012 0.000 0.300 256 H C 2.294 177.764 175.328 0.236 0.000 1.090 256 H CA 1.919 58.210 56.048 0.405 0.000 1.327 256 H CB -0.074 29.905 29.762 0.361 0.000 1.383 256 H HN 0.408 8.688 8.280 -0.000 0.000 0.508 257 K N 0.094 120.532 120.400 0.063 0.000 2.026 257 K HA -0.150 4.176 4.320 0.011 0.000 0.208 257 K C 2.187 178.687 176.600 -0.167 0.000 1.048 257 K CA 1.630 57.837 56.287 -0.132 0.000 0.929 257 K CB -0.329 32.009 32.500 -0.269 0.000 0.713 257 K HN 0.217 8.467 8.250 -0.000 0.000 0.439 258 F N -0.212 119.749 119.950 0.018 0.000 2.259 258 F HA -0.095 4.447 4.527 0.025 0.000 0.298 258 F C 2.131 177.908 175.800 -0.039 0.000 1.088 258 F CA 0.540 58.527 58.000 -0.021 0.000 1.358 258 F CB -0.179 38.788 39.000 -0.056 0.000 1.040 258 F HN 0.052 8.352 8.300 -0.000 0.000 0.505 259 F N 1.269 121.199 119.950 -0.034 0.000 2.113 259 F HA -0.251 4.285 4.527 0.016 0.000 0.297 259 F C 2.813 178.622 175.800 0.015 0.000 1.103 259 F CA 1.969 59.935 58.000 -0.056 0.000 1.248 259 F CB -0.557 38.441 39.000 -0.002 0.000 0.999 259 F HN -0.040 8.260 8.300 -0.000 0.000 0.475 260 T N -1.089 113.572 114.554 0.178 0.000 2.821 260 T HA -0.184 4.172 4.350 0.011 0.000 0.267 260 T C 2.085 176.820 174.700 0.058 0.000 1.046 260 T CA 1.440 63.578 62.100 0.063 0.000 1.139 260 T CB -0.959 67.819 68.868 -0.149 0.000 0.871 260 T HN 0.342 8.582 8.240 -0.000 0.000 0.454 261 L N -0.716 120.541 121.223 0.056 0.000 2.046 261 L HA -0.036 4.311 4.340 0.011 0.000 0.208 261 L C 2.627 179.534 176.870 0.061 0.000 1.077 261 L CA 1.750 56.625 54.840 0.058 0.000 0.747 261 L CB -0.616 41.503 42.059 0.100 0.000 0.896 261 L HN 0.245 8.475 8.230 -0.000 0.000 0.432 262 Y N 0.461 120.739 120.300 -0.036 0.000 2.181 262 Y HA -0.234 4.318 4.550 0.005 0.000 0.288 262 Y C 2.332 178.185 175.900 -0.080 0.000 1.146 262 Y CA 1.492 59.539 58.100 -0.089 0.000 1.164 262 Y CB -0.105 38.233 38.460 -0.203 0.000 0.982 262 Y HN 0.003 8.283 8.280 -0.000 0.000 0.515 263 L N 0.275 121.585 121.223 0.145 0.000 2.046 263 L HA -0.216 4.130 4.340 0.011 0.000 0.208 263 L C 2.463 179.337 176.870 0.006 0.000 1.077 263 L CA 1.967 56.868 54.840 0.102 0.000 0.747 263 L CB -0.752 41.396 42.059 0.149 0.000 0.896 263 L HN 0.381 8.611 8.230 -0.000 0.000 0.432 264 E N 0.467 120.665 120.200 -0.003 0.000 2.150 264 E HA -0.225 4.131 4.350 0.011 0.000 0.193 264 E C 1.873 178.437 176.600 -0.060 0.000 0.985 264 E CA 0.852 57.237 56.400 -0.025 0.000 0.814 264 E CB -0.250 29.441 29.700 -0.014 0.000 0.752 264 E HN 0.460 8.820 8.360 -0.000 0.000 0.466 265 K N 0.420 120.755 120.400 -0.107 0.000 2.209 265 K HA -0.078 4.249 4.320 0.011 0.000 0.204 265 K C 1.524 178.034 176.600 -0.150 0.000 1.048 265 K CA 0.988 57.189 56.287 -0.142 0.000 0.940 265 K CB 0.117 32.483 32.500 -0.223 0.000 0.729 265 K HN 0.115 8.365 8.250 -0.000 0.000 0.451 266 E N -0.517 119.589 120.200 -0.156 0.000 2.474 266 E HA 0.043 4.399 4.350 0.011 0.000 0.195 266 E C 0.813 177.380 176.600 -0.055 0.000 1.039 266 E CA 0.334 56.667 56.400 -0.112 0.000 0.881 266 E CB 0.820 30.456 29.700 -0.107 0.000 0.970 266 E HN 0.437 8.797 8.360 -0.000 0.000 0.486 267 G N 1.716 110.488 108.800 -0.047 0.000 2.147 267 G HA2 -0.226 3.740 3.960 0.011 0.000 0.244 267 G HA3 -0.226 3.740 3.960 0.011 0.000 0.244 267 G C 0.133 175.024 174.900 -0.016 0.000 1.005 267 G CA -0.099 44.984 45.100 -0.028 0.000 0.713 267 G HN 0.165 8.455 8.290 -0.000 0.000 0.515 268 I N 1.415 121.981 120.570 -0.007 0.000 2.336 268 I HA 0.387 4.563 4.170 0.011 0.000 0.292 268 I C 0.627 176.744 176.117 -0.000 0.000 0.991 268 I CA -1.477 59.826 61.300 0.006 0.000 1.227 268 I CB 1.191 39.214 38.000 0.038 0.000 1.366 268 I HN -0.077 8.133 8.210 -0.000 0.000 0.466 269 I N 5.423 125.979 120.570 -0.022 0.000 2.474 269 I HA 0.203 4.379 4.170 0.011 0.000 0.287 269 I C 0.845 176.920 176.117 -0.070 0.000 1.048 269 I CA 0.015 61.290 61.300 -0.041 0.000 1.383 269 I CB 1.047 39.014 38.000 -0.055 0.000 1.412 269 I HN 0.614 8.824 8.210 -0.000 0.000 0.531 270 S N 4.393 120.056 115.700 -0.062 0.000 2.648 270 S HA 0.770 5.246 4.470 0.011 0.000 0.305 270 S C -0.989 173.536 174.600 -0.126 0.000 1.094 270 S CA -0.708 57.435 58.200 -0.095 0.000 0.983 270 S CB 3.047 66.233 63.200 -0.024 0.000 1.101 270 S HN 0.617 8.927 8.310 -0.000 0.000 0.514 271 D N 0.159 120.454 120.400 -0.176 0.000 2.937 271 D HA 0.332 4.978 4.640 0.011 0.000 0.215 271 D C -0.787 175.492 176.300 -0.034 0.000 1.274 271 D CA -0.460 53.473 54.000 -0.111 0.000 0.869 271 D CB 1.290 41.961 40.800 -0.215 0.000 1.675 271 D HN 0.618 8.988 8.370 -0.000 0.000 0.538 272 L N 1.973 123.192 121.223 -0.008 0.000 2.475 272 L HA 0.488 4.835 4.340 0.011 0.000 0.253 272 L C 2.091 179.001 176.870 0.067 0.000 1.198 272 L CA -0.137 54.685 54.840 -0.031 0.000 0.814 272 L CB 0.419 42.441 42.059 -0.062 0.000 1.134 272 L HN 0.567 8.797 8.230 -0.000 0.000 0.478 273 G N 0.036 108.859 108.800 0.038 0.000 1.969 273 G HA2 -0.192 3.774 3.960 0.011 0.000 0.228 273 G HA3 -0.192 3.774 3.960 0.011 0.000 0.228 273 G C 0.720 175.641 174.900 0.036 0.000 1.464 273 G CA 1.302 46.426 45.100 0.040 0.000 1.035 273 G HN 0.897 9.187 8.290 -0.000 0.000 0.390 274 K N -3.606 116.795 120.400 0.003 0.000 3.089 274 K HA -0.065 4.261 4.320 0.011 0.000 0.183 274 K C 0.387 176.975 176.600 -0.020 0.000 1.247 274 K CA 0.196 56.482 56.287 -0.002 0.000 0.949 274 K CB -0.426 32.081 32.500 0.012 0.000 1.961 274 K HN 0.515 8.765 8.250 -0.000 0.000 0.706 275 R N 0.778 121.258 120.500 -0.032 0.000 2.855 275 R HA 0.427 4.773 4.340 0.011 0.000 0.266 275 R C -0.715 175.568 176.300 -0.028 0.000 1.034 275 R CA -0.330 55.748 56.100 -0.037 0.000 0.944 275 R CB 1.848 32.113 30.300 -0.058 0.000 1.219 275 R HN 0.215 8.485 8.270 -0.000 0.000 0.474 276 S N 0.081 115.769 115.700 -0.020 0.000 2.646 276 S HA 0.316 4.792 4.470 0.011 0.000 0.276 276 S C -2.055 172.541 174.600 -0.006 0.000 1.222 276 S CA -1.189 57.007 58.200 -0.007 0.000 1.014 276 S CB 1.853 65.056 63.200 0.005 0.000 0.991 276 S HN 0.269 8.579 8.310 -0.000 0.000 0.533 277 P HA -0.147 4.273 4.420 -0.000 0.000 0.216 277 P C 1.656 178.962 177.300 0.011 0.000 1.153 277 P CA 1.239 64.340 63.100 0.001 0.000 0.848 277 P CB -0.051 31.650 31.700 0.001 0.000 0.787 278 E N -0.226 119.990 120.200 0.026 0.000 2.118 278 E HA -0.183 4.174 4.350 0.011 0.000 0.195 278 E C 1.902 178.531 176.600 0.048 0.000 0.992 278 E CA 1.242 57.671 56.400 0.049 0.000 0.804 278 E CB -1.292 28.454 29.700 0.076 0.000 0.741 278 E HN 0.180 8.540 8.360 -0.000 0.000 0.458 279 I N 1.989 122.573 120.570 0.024 0.000 2.315 279 I HA -0.093 4.084 4.170 0.011 0.000 0.248 279 I C 2.484 178.570 176.117 -0.052 0.000 1.117 279 I CA 1.394 62.676 61.300 -0.030 0.000 1.404 279 I CB -1.376 36.592 38.000 -0.053 0.000 1.071 279 I HN 0.225 8.435 8.210 -0.000 0.000 0.419 280 G N 0.162 108.957 108.800 -0.009 0.000 2.443 280 G HA2 -0.154 3.812 3.960 0.011 0.000 0.219 280 G HA3 -0.154 3.812 3.960 0.011 0.000 0.219 280 G C 1.790 176.729 174.900 0.065 0.000 1.131 280 G CA 0.755 45.877 45.100 0.038 0.000 0.775 280 G HN 0.479 8.769 8.290 -0.000 0.000 0.547 281 A N 0.109 122.950 122.820 0.035 0.000 1.968 281 A HA 0.183 4.510 4.320 0.011 0.000 0.217 281 A C 2.529 180.151 177.584 0.064 0.000 1.169 281 A CA 1.484 53.549 52.037 0.046 0.000 0.638 281 A CB -0.339 18.685 19.000 0.040 0.000 0.812 281 A HN 0.219 8.369 8.150 -0.000 0.000 0.446 282 V N 0.172 120.099 119.914 0.022 0.000 2.358 282 V HA -0.226 3.900 4.120 0.011 0.000 0.246 282 V C 2.375 178.432 176.094 -0.062 0.000 1.047 282 V CA 1.838 64.128 62.300 -0.017 0.000 1.035 282 V CB -0.641 31.081 31.823 -0.168 0.000 0.658 282 V HN 0.566 8.756 8.190 -0.000 0.000 0.452 283 I N -0.368 120.140 120.570 -0.103 0.000 2.226 283 I HA -0.253 3.923 4.170 0.011 0.000 0.245 283 I C 2.409 178.593 176.117 0.111 0.000 1.100 283 I CA 1.384 62.638 61.300 -0.077 0.000 1.374 283 I CB -0.369 37.578 38.000 -0.089 0.000 1.057 283 I HN 0.310 8.520 8.210 -0.000 0.000 0.413 284 L N 1.139 122.494 121.223 0.221 0.000 2.042 284 L HA -0.197 4.150 4.340 0.011 0.000 0.210 284 L C 2.514 179.512 176.870 0.214 0.000 1.076 284 L CA 2.217 57.242 54.840 0.309 0.000 0.749 284 L CB -0.683 41.500 42.059 0.206 0.000 0.893 284 L HN 0.197 8.427 8.230 -0.000 0.000 0.432 285 A N -1.671 121.262 122.820 0.190 0.000 1.873 285 A HA -0.205 4.121 4.320 0.011 0.000 0.215 285 A C 2.159 179.877 177.584 0.223 0.000 1.186 285 A CA 1.524 53.675 52.037 0.189 0.000 0.616 285 A CB -1.095 18.021 19.000 0.194 0.000 0.823 285 A HN 0.505 8.655 8.150 -0.000 0.000 0.442 286 Y N 0.551 120.869 120.300 0.030 0.000 2.151 286 Y HA -0.216 4.340 4.550 0.011 0.000 0.284 286 Y C 2.427 178.333 175.900 0.010 0.000 1.166 286 Y CA 1.826 59.931 58.100 0.008 0.000 1.163 286 Y CB -0.284 38.162 38.460 -0.023 0.000 0.974 286 Y HN 0.277 8.557 8.280 -0.000 0.000 0.511 287 K N -0.470 120.037 120.400 0.177 0.000 2.097 287 K HA -0.229 4.097 4.320 0.011 0.000 0.206 287 K C 2.046 178.699 176.600 0.089 0.000 1.049 287 K CA 1.563 57.909 56.287 0.099 0.000 0.933 287 K CB -0.116 32.430 32.500 0.077 0.000 0.717 287 K HN 0.188 8.438 8.250 -0.000 0.000 0.442 288 E N 0.621 120.885 120.200 0.107 0.000 2.047 288 E HA -0.146 4.210 4.350 0.011 0.000 0.191 288 E C 1.738 178.367 176.600 0.048 0.000 0.987 288 E CA 1.448 57.900 56.400 0.086 0.000 0.799 288 E CB 0.130 29.888 29.700 0.097 0.000 0.752 288 E HN 0.181 8.541 8.360 -0.000 0.000 0.449 289 V N -3.558 116.372 119.914 0.026 0.000 3.235 289 V HA 0.387 4.514 4.120 0.011 0.000 0.259 289 V C 1.463 177.532 176.094 -0.042 0.000 1.133 289 V CA 0.785 63.077 62.300 -0.015 0.000 1.128 289 V CB -0.093 31.706 31.823 -0.041 0.000 0.757 289 V HN 0.369 8.559 8.190 -0.000 0.000 0.469 290 G N -0.545 108.230 108.800 -0.040 0.000 2.134 290 G HA2 -0.214 3.752 3.960 0.011 0.000 0.209 290 G HA3 -0.214 3.752 3.960 0.011 0.000 0.209 290 G C 0.059 174.897 174.900 -0.104 0.000 0.993 290 G CA -0.142 44.929 45.100 -0.048 0.000 0.669 290 G HN 0.682 8.972 8.290 -0.000 0.000 0.519 291 c N 0.724 119.186 118.600 -0.231 0.000 2.536 291 c HA 0.506 5.082 4.570 0.011 0.000 0.396 291 c C 0.843 174.857 174.090 -0.127 0.000 1.279 291 c CA -0.333 55.754 56.329 -0.403 0.000 2.148 291 c CB 0.934 42.752 42.510 -1.153 0.000 2.584 291 c HN 0.590 8.820 8.230 -0.000 0.000 0.579 292 D N 1.640 122.034 120.400 -0.010 0.000 2.346 292 D HA 0.110 4.757 4.640 0.011 0.000 0.260 292 D C 0.951 177.408 176.300 0.261 0.000 1.252 292 D CA 0.028 54.095 54.000 0.110 0.000 0.895 292 D CB 0.316 41.151 40.800 0.059 0.000 1.097 292 D HN 0.477 8.847 8.370 -0.000 0.000 0.489 293 I N 3.273 123.973 120.570 0.217 0.000 2.454 293 I HA -0.218 3.958 4.170 0.011 0.000 0.254 293 I C 2.184 178.302 176.117 0.002 0.000 1.156 293 I CA 0.776 62.125 61.300 0.083 0.000 1.433 293 I CB -0.068 37.925 38.000 -0.012 0.000 1.082 293 I HN 0.430 8.640 8.210 -0.000 0.000 0.432 294 K N 0.904 121.321 120.400 0.028 0.000 2.283 294 K HA -0.131 4.195 4.320 0.011 0.000 0.202 294 K C 1.861 178.472 176.600 0.018 0.000 1.048 294 K CA 0.994 57.286 56.287 0.008 0.000 0.948 294 K CB 0.073 32.581 32.500 0.014 0.000 0.742 294 K HN 0.315 8.565 8.250 -0.000 0.000 0.458 295 K N 0.017 120.451 120.400 0.056 0.000 2.305 295 K HA -0.051 4.275 4.320 0.011 0.000 0.199 295 K C 1.738 178.364 176.600 0.043 0.000 1.047 295 K CA 0.389 56.718 56.287 0.069 0.000 0.976 295 K CB 0.164 32.733 32.500 0.115 0.000 0.765 295 K HN 0.009 8.259 8.250 -0.000 0.000 0.474 296 L N 0.517 121.723 121.223 -0.029 0.000 2.168 296 L HA 0.155 4.502 4.340 0.011 0.000 0.203 296 L C 0.361 177.126 176.870 -0.174 0.000 1.078 296 L CA 1.075 55.795 54.840 -0.201 0.000 0.780 296 L CB 0.459 42.194 42.059 -0.540 0.000 0.939 296 L HN -0.059 8.171 8.230 -0.000 0.000 0.451 297 I N -0.527 119.962 120.570 -0.136 0.000 2.646 297 I HA 0.435 4.612 4.170 0.011 0.000 0.299 297 I C -0.164 175.922 176.117 -0.053 0.000 1.036 297 I CA -0.214 61.025 61.300 -0.100 0.000 1.074 297 I CB 1.578 39.507 38.000 -0.118 0.000 1.258 297 I HN 0.251 8.461 8.210 -0.000 0.000 0.430 298 S N 0.000 115.678 115.700 -0.036 0.000 2.498 298 S HA 0.000 4.476 4.470 0.011 0.000 0.327 298 S CA 0.000 58.189 58.200 -0.019 0.000 1.107 298 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 298 S HN 0.000 8.310 8.310 -0.000 0.000 0.517