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 2pty_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMTIQKVHG REVLDSRGNP TVEVEVTTEK GVFRSAVPSG ASTGVYEACE DATA SEQUENCE LRDGDKKRYV GKGCLQAVKN VNEVIGPALI GRDELKQEEL DTLMLRLDGT DATA SEQUENCE PNKGKLGANA ILGCSMAISK AAAAAKGVPL YRYLASLAGT KELRLPVPCF DATA SEQUENCE NVINGGKHAG NALPFQEFMI APVKATSFSE ALRMGSEVYH SLRGIIKKKY DATA SEQUENCE GQDAVNVGDE GGFAPPIKDI NEPLPILMEA IEEAGHRGKF AICMDCAASE DATA SEQUENCE TYDEKKQQYN LTFKSPEPTW VTAEQLRETY CKWAHDYPIV SIEDPYDQDD DATA SEQUENCE FAGFAGITEA LKGKTQIVGD DLTVTNTERI KMAIEKKACN SLLLKINQIG DATA SEQUENCE TISEAIASSK LCMENGWSVM VSHRSGETED TYIADLVVAL GSGQIKTGAP DATA SEQUENCE CRGERTAKLN QLLRIEEELG AHAKFGFPGW S 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 S HA 0.000 4.470 4.470 0.000 0.000 0.327 -1 S C 0.000 174.442 174.600 -0.263 0.000 1.055 -1 S CA 0.000 58.008 58.200 -0.320 0.000 1.107 -1 S CB 0.000 62.933 63.200 -0.445 0.000 0.593 0 H N 1.365 120.437 119.070 0.003 0.000 2.555 0 H HA 0.464 5.013 4.556 -0.012 0.000 0.283 0 H C 0.797 176.129 175.328 0.007 0.000 1.037 0 H CA 0.150 56.201 56.048 0.005 0.000 1.169 0 H CB -0.207 29.558 29.762 0.005 0.000 1.375 0 H HN 0.259 8.539 8.280 0.000 0.000 0.582 1 M N 1.974 121.588 119.600 0.024 0.000 2.853 1 M HA 0.107 4.580 4.480 -0.012 0.000 0.274 1 M C 0.078 176.384 176.300 0.009 0.000 1.289 1 M CA -0.125 55.186 55.300 0.018 0.000 1.031 1 M CB -0.183 32.410 32.600 -0.013 0.000 1.352 1 M HN 0.296 8.586 8.290 0.000 0.000 0.485 2 T N -2.943 111.626 114.554 0.026 0.000 2.905 2 T HA 0.625 4.968 4.350 -0.012 0.000 0.283 2 T C 0.054 174.773 174.700 0.032 0.000 1.031 2 T CA -0.834 61.277 62.100 0.018 0.000 1.002 2 T CB 1.574 70.452 68.868 0.015 0.000 1.200 2 T HN 0.138 8.378 8.240 0.000 0.000 0.560 3 I N 2.142 122.728 120.570 0.027 0.000 2.587 3 I HA 0.084 4.247 4.170 -0.012 0.000 0.284 3 I C 1.573 177.716 176.117 0.044 0.000 1.134 3 I CA 0.079 61.402 61.300 0.040 0.000 1.410 3 I CB 0.672 38.691 38.000 0.032 0.000 1.392 3 I HN 0.739 8.949 8.210 0.000 0.000 0.545 4 Q N 4.711 124.543 119.800 0.053 0.000 2.324 4 Q HA 0.177 4.509 4.340 -0.012 0.000 0.207 4 Q C 0.392 176.416 176.000 0.040 0.000 0.928 4 Q CA 0.712 56.542 55.803 0.044 0.000 0.890 4 Q CB 0.629 29.393 28.738 0.043 0.000 1.001 4 Q HN 0.481 8.751 8.270 0.000 0.000 0.517 5 K N 0.114 120.543 120.400 0.049 0.000 2.542 5 K HA 0.443 4.756 4.320 -0.012 0.000 0.259 5 K C -1.941 174.701 176.600 0.070 0.000 0.932 5 K CA -0.425 55.892 56.287 0.050 0.000 0.820 5 K CB 2.427 34.949 32.500 0.036 0.000 1.345 5 K HN -0.177 8.073 8.250 0.000 0.000 0.432 6 V N 3.725 123.686 119.914 0.078 0.000 2.577 6 V HA 0.434 4.547 4.120 -0.012 0.000 0.303 6 V C -0.943 175.235 176.094 0.139 0.000 1.042 6 V CA -0.749 61.604 62.300 0.089 0.000 0.872 6 V CB 1.608 33.465 31.823 0.057 0.000 0.998 6 V HN 0.774 8.964 8.190 0.000 0.000 0.423 7 H N 2.726 121.806 119.070 0.018 0.000 2.877 7 H HA 0.611 5.160 4.556 -0.012 0.000 0.347 7 H C -0.403 174.931 175.328 0.011 0.000 1.042 7 H CA -0.153 55.902 56.048 0.013 0.000 1.276 7 H CB 2.317 32.085 29.762 0.010 0.000 1.681 7 H HN 0.841 9.121 8.280 0.000 0.000 0.521 8 G N 3.421 111.929 108.800 -0.485 0.000 2.410 8 G HA2 0.568 4.520 3.960 -0.012 0.000 0.330 8 G HA3 0.568 4.520 3.960 -0.012 0.000 0.330 8 G C -0.884 173.695 174.900 -0.535 0.000 1.142 8 G CA -0.883 43.995 45.100 -0.370 0.000 0.902 8 G HN 0.788 9.078 8.290 0.000 0.000 0.491 9 R N 0.159 120.505 120.500 -0.256 0.000 2.739 9 R HA 0.516 4.849 4.340 -0.012 0.000 0.271 9 R C -1.162 175.092 176.300 -0.077 0.000 1.010 9 R CA -0.908 55.104 56.100 -0.147 0.000 0.897 9 R CB 1.805 32.072 30.300 -0.055 0.000 1.236 9 R HN 0.457 8.727 8.270 0.000 0.000 0.466 10 E N 2.117 122.288 120.200 -0.048 0.000 2.223 10 E HA 0.265 4.608 4.350 -0.012 0.000 0.282 10 E C -0.386 176.196 176.600 -0.030 0.000 1.046 10 E CA -0.662 55.711 56.400 -0.045 0.000 0.857 10 E CB 1.193 30.877 29.700 -0.027 0.000 1.055 10 E HN 0.462 8.822 8.360 0.000 0.000 0.409 11 V N 1.844 121.729 119.914 -0.048 0.000 3.158 11 V HA 0.565 4.677 4.120 -0.012 0.000 0.315 11 V C -0.461 175.592 176.094 -0.069 0.000 1.148 11 V CA -1.122 61.158 62.300 -0.033 0.000 1.042 11 V CB 1.508 33.322 31.823 -0.016 0.000 1.101 11 V HN 0.554 8.744 8.190 0.000 0.000 0.448 12 L N 2.301 123.498 121.223 -0.043 0.000 2.325 12 L HA 0.510 4.843 4.340 -0.012 0.000 0.279 12 L C -0.086 176.760 176.870 -0.041 0.000 1.054 12 L CA -0.500 54.306 54.840 -0.057 0.000 0.804 12 L CB 1.499 43.552 42.059 -0.009 0.000 1.200 12 L HN 1.028 9.258 8.230 0.000 0.000 0.436 13 D N 0.200 120.567 120.400 -0.055 0.000 2.466 13 D HA 0.059 4.692 4.640 -0.012 0.000 0.262 13 D C 0.957 177.245 176.300 -0.020 0.000 1.177 13 D CA -0.377 53.601 54.000 -0.037 0.000 1.035 13 D CB 0.906 41.676 40.800 -0.049 0.000 1.105 13 D HN 0.464 8.834 8.370 0.000 0.000 0.551 14 S N -0.905 114.785 115.700 -0.017 0.000 2.507 14 S HA -0.095 4.368 4.470 -0.012 0.000 0.235 14 S C 1.468 176.063 174.600 -0.008 0.000 0.988 14 S CA 0.323 58.518 58.200 -0.008 0.000 0.944 14 S CB -0.349 62.845 63.200 -0.011 0.000 0.762 14 S HN 0.502 8.812 8.310 0.000 0.000 0.526 15 R N 0.453 120.943 120.500 -0.016 0.000 2.334 15 R HA 0.245 4.578 4.340 -0.012 0.000 0.216 15 R C 1.339 177.646 176.300 0.012 0.000 0.905 15 R CA 0.420 56.518 56.100 -0.004 0.000 1.064 15 R CB -0.053 30.240 30.300 -0.013 0.000 1.046 15 R HN 0.587 8.857 8.270 0.000 0.000 0.508 16 G N 1.410 110.215 108.800 0.009 0.000 2.143 16 G HA2 -0.235 3.718 3.960 -0.012 0.000 0.248 16 G HA3 -0.235 3.718 3.960 -0.012 0.000 0.248 16 G C -0.354 174.552 174.900 0.009 0.000 0.991 16 G CA -0.164 44.954 45.100 0.031 0.000 0.689 16 G HN 0.262 8.552 8.290 0.000 0.000 0.522 17 N N 0.989 119.657 118.700 -0.054 0.000 2.487 17 N HA 0.512 5.245 4.740 -0.012 0.000 0.292 17 N C -2.707 172.647 175.510 -0.259 0.000 1.108 17 N CA -1.506 51.458 53.050 -0.144 0.000 0.956 17 N CB 1.513 39.950 38.487 -0.084 0.000 1.176 17 N HN 0.015 8.395 8.380 0.000 0.000 0.484 18 P HA 0.096 4.516 4.420 0.000 0.000 0.269 18 P C -0.100 177.070 177.300 -0.216 0.000 1.209 18 P CA 0.229 63.075 63.100 -0.423 0.000 0.776 18 P CB 0.695 32.056 31.700 -0.566 0.000 0.876 19 T N 0.931 115.394 114.554 -0.152 0.000 2.778 19 T HA 0.470 4.813 4.350 -0.012 0.000 0.293 19 T C -1.283 173.368 174.700 -0.081 0.000 1.144 19 T CA -0.600 61.441 62.100 -0.099 0.000 1.010 19 T CB 0.832 69.656 68.868 -0.074 0.000 1.325 19 T HN -0.031 8.209 8.240 0.000 0.000 0.515 20 V N 2.363 122.238 119.914 -0.065 0.000 2.472 20 V HA 0.622 4.735 4.120 -0.012 0.000 0.290 20 V C -0.030 176.035 176.094 -0.049 0.000 1.037 20 V CA -0.512 61.753 62.300 -0.060 0.000 0.908 20 V CB 1.337 33.126 31.823 -0.057 0.000 0.985 20 V HN 0.858 9.048 8.190 0.000 0.000 0.454 21 E N 3.656 123.827 120.200 -0.048 0.000 2.266 21 E HA 0.734 5.076 4.350 -0.012 0.000 0.268 21 E C -1.984 174.593 176.600 -0.039 0.000 0.879 21 E CA -0.570 55.811 56.400 -0.031 0.000 0.762 21 E CB 2.426 32.117 29.700 -0.014 0.000 1.199 21 E HN 0.418 8.778 8.360 0.000 0.000 0.422 22 V N 3.031 122.936 119.914 -0.015 0.000 2.656 22 V HA 0.371 4.483 4.120 -0.012 0.000 0.307 22 V C -0.786 175.332 176.094 0.041 0.000 1.051 22 V CA -0.799 61.498 62.300 -0.006 0.000 0.893 22 V CB 1.841 33.659 31.823 -0.008 0.000 0.999 22 V HN 0.751 8.941 8.190 0.000 0.000 0.426 23 E N 2.414 122.653 120.200 0.066 0.000 2.158 23 E HA 0.582 4.925 4.350 -0.012 0.000 0.271 23 E C -1.354 175.311 176.600 0.108 0.000 0.911 23 E CA -0.549 55.907 56.400 0.093 0.000 0.767 23 E CB 2.476 32.232 29.700 0.095 0.000 1.120 23 E HN 0.440 8.800 8.360 0.000 0.000 0.405 24 V N 3.324 123.323 119.914 0.142 0.000 2.370 24 V HA 0.250 4.363 4.120 -0.012 0.000 0.279 24 V C -0.067 176.146 176.094 0.199 0.000 1.029 24 V CA -0.425 61.968 62.300 0.155 0.000 0.870 24 V CB 1.684 33.595 31.823 0.148 0.000 0.984 24 V HN 0.694 8.884 8.190 0.000 0.000 0.451 25 T N 4.336 118.970 114.554 0.132 0.000 2.795 25 T HA 0.616 4.958 4.350 -0.012 0.000 0.282 25 T C 0.266 175.047 174.700 0.136 0.000 0.980 25 T CA -0.333 61.828 62.100 0.102 0.000 1.012 25 T CB 1.361 70.251 68.868 0.037 0.000 0.936 25 T HN 0.940 9.180 8.240 0.000 0.000 0.457 26 T N -0.786 113.881 114.554 0.188 0.000 2.773 26 T HA 0.405 4.748 4.350 -0.012 0.000 0.278 26 T C 1.289 176.060 174.700 0.118 0.000 1.011 26 T CA -0.812 61.381 62.100 0.155 0.000 1.014 26 T CB 1.331 70.308 68.868 0.182 0.000 1.293 26 T HN 0.574 8.814 8.240 0.000 0.000 0.554 27 E N 0.337 120.596 120.200 0.097 0.000 2.265 27 E HA -0.112 4.231 4.350 -0.012 0.000 0.196 27 E C 1.416 178.066 176.600 0.082 0.000 0.996 27 E CA 0.779 57.223 56.400 0.072 0.000 0.832 27 E CB -0.210 29.532 29.700 0.070 0.000 0.756 27 E HN 0.560 8.920 8.360 0.000 0.000 0.491 28 K N 0.693 121.184 120.400 0.151 0.000 2.426 28 K HA 0.199 4.512 4.320 -0.012 0.000 0.193 28 K C 0.714 177.406 176.600 0.154 0.000 1.028 28 K CA 0.601 57.002 56.287 0.189 0.000 1.047 28 K CB 1.002 33.640 32.500 0.230 0.000 0.821 28 K HN 0.291 8.541 8.250 0.000 0.000 0.513 29 G N 0.198 109.010 108.800 0.019 0.000 2.339 29 G HA2 -0.011 3.942 3.960 -0.012 0.000 0.275 29 G HA3 -0.011 3.942 3.960 -0.012 0.000 0.275 29 G C -1.724 172.847 174.900 -0.548 0.000 1.323 29 G CA -0.960 43.929 45.100 -0.352 0.000 0.927 29 G HN -0.127 8.163 8.290 0.000 0.000 0.486 30 V N 0.796 120.286 119.914 -0.707 0.000 2.357 30 V HA 0.641 4.754 4.120 -0.012 0.000 0.284 30 V C -0.907 174.790 176.094 -0.661 0.000 1.018 30 V CA -0.379 61.641 62.300 -0.466 0.000 0.841 30 V CB 0.783 32.477 31.823 -0.216 0.000 0.991 30 V HN 0.528 8.718 8.190 0.000 0.000 0.437 31 F N 4.330 124.289 119.950 0.015 0.000 2.402 31 F HA 0.645 5.165 4.527 -0.012 0.000 0.355 31 F C 0.388 176.206 175.800 0.031 0.000 1.123 31 F CA -0.480 57.532 58.000 0.019 0.000 1.021 31 F CB 1.317 40.322 39.000 0.009 0.000 1.160 31 F HN 0.318 8.618 8.300 0.000 0.000 0.451 32 R N 2.043 122.639 120.500 0.161 0.000 2.534 32 R HA 0.727 5.060 4.340 -0.012 0.000 0.301 32 R C -1.400 174.967 176.300 0.112 0.000 0.961 32 R CA -0.379 55.783 56.100 0.102 0.000 0.871 32 R CB 1.776 32.109 30.300 0.054 0.000 1.170 32 R HN 0.681 8.951 8.270 0.000 0.000 0.446 33 S N 1.762 117.510 115.700 0.081 0.000 2.619 33 S HA 0.619 5.081 4.470 -0.012 0.000 0.280 33 S C -1.349 173.262 174.600 0.019 0.000 1.150 33 S CA -0.620 57.618 58.200 0.064 0.000 0.978 33 S CB 1.865 65.091 63.200 0.043 0.000 1.041 33 S HN 0.746 9.056 8.310 0.000 0.000 0.485 34 A N 2.599 125.428 122.820 0.015 0.000 2.337 34 A HA 0.863 5.175 4.320 -0.012 0.000 0.331 34 A C -0.599 176.971 177.584 -0.024 0.000 1.137 34 A CA -0.637 51.397 52.037 -0.006 0.000 0.807 34 A CB 0.856 19.858 19.000 0.005 0.000 1.250 34 A HN 0.613 8.763 8.150 0.000 0.000 0.468 35 V N 3.845 123.737 119.914 -0.035 0.000 2.439 35 V HA 0.412 4.524 4.120 -0.012 0.000 0.282 35 V C -1.802 174.272 176.094 -0.034 0.000 1.039 35 V CA -1.132 61.142 62.300 -0.044 0.000 0.913 35 V CB 1.274 33.067 31.823 -0.050 0.000 0.983 35 V HN 0.901 9.091 8.190 0.000 0.000 0.460 36 P HA 0.355 4.775 4.420 0.000 0.000 0.282 36 P C -0.780 176.501 177.300 -0.033 0.000 1.287 36 P CA -0.504 62.581 63.100 -0.025 0.000 0.792 36 P CB 1.590 33.285 31.700 -0.009 0.000 1.163 37 S N -1.268 114.407 115.700 -0.040 0.000 2.572 37 S HA 0.611 5.074 4.470 -0.012 0.000 0.274 37 S C -0.281 174.293 174.600 -0.042 0.000 1.150 37 S CA -0.641 57.536 58.200 -0.038 0.000 0.944 37 S CB 0.463 63.638 63.200 -0.041 0.000 1.071 37 S HN 0.648 8.958 8.310 0.000 0.000 0.479 38 G N 1.763 110.550 108.800 -0.022 0.000 2.476 38 G HA2 0.599 4.551 3.960 -0.012 0.000 0.286 38 G HA3 0.599 4.551 3.960 -0.012 0.000 0.286 38 G C 0.768 175.679 174.900 0.018 0.000 1.177 38 G CA -0.054 45.042 45.100 -0.006 0.000 0.870 38 G HN 1.018 9.308 8.290 0.000 0.000 0.528 39 A N 0.208 123.066 122.820 0.063 0.000 1.944 39 A HA 0.313 4.626 4.320 -0.012 0.000 0.207 39 A C 1.797 179.450 177.584 0.115 0.000 1.265 39 A CA 1.154 53.252 52.037 0.102 0.000 0.712 39 A CB -0.259 18.840 19.000 0.164 0.000 0.915 39 A HN 1.279 9.429 8.150 0.000 0.000 0.470 40 S N 1.970 117.758 115.700 0.147 0.000 3.729 40 S HA 0.371 4.834 4.470 -0.012 0.000 0.235 40 S C 0.052 174.690 174.600 0.064 0.000 1.367 40 S CA 0.091 58.346 58.200 0.091 0.000 0.907 40 S CB -0.976 62.261 63.200 0.062 0.000 1.471 40 S HN 0.525 8.835 8.310 0.000 0.000 0.476 41 T N 0.510 115.092 114.554 0.047 0.000 2.771 41 T HA 0.631 4.974 4.350 -0.012 0.000 0.291 41 T C 0.771 175.481 174.700 0.016 0.000 0.954 41 T CA -0.558 61.560 62.100 0.030 0.000 1.045 41 T CB 1.025 69.905 68.868 0.020 0.000 0.917 41 T HN 0.602 8.842 8.240 0.000 0.000 0.484 42 G N 1.436 110.249 108.800 0.022 0.000 2.491 42 G HA2 0.313 4.265 3.960 -0.012 0.000 0.238 42 G HA3 0.313 4.265 3.960 -0.012 0.000 0.238 42 G C 1.224 176.096 174.900 -0.046 0.000 1.277 42 G CA -0.347 44.761 45.100 0.012 0.000 0.851 42 G HN 1.187 9.477 8.290 0.000 0.000 0.573 43 V N 0.039 119.855 119.914 -0.163 0.000 2.759 43 V HA -0.078 4.035 4.120 -0.012 0.000 0.256 43 V C 1.605 177.456 176.094 -0.405 0.000 1.080 43 V CA 1.113 63.218 62.300 -0.326 0.000 1.101 43 V CB -1.178 30.353 31.823 -0.487 0.000 0.698 43 V HN 0.683 8.873 8.190 0.000 0.000 0.477 44 Y N 0.813 121.128 120.300 0.024 0.000 2.461 44 Y HA 0.349 4.891 4.550 -0.012 0.000 0.277 44 Y C 1.298 177.209 175.900 0.017 0.000 1.182 44 Y CA -0.514 57.600 58.100 0.023 0.000 1.276 44 Y CB -0.109 38.368 38.460 0.029 0.000 1.087 44 Y HN 0.360 8.640 8.280 0.000 0.000 0.519 45 E N 1.282 121.535 120.200 0.089 0.000 2.392 45 E HA 0.272 4.615 4.350 -0.012 0.000 0.264 45 E C 0.237 176.865 176.600 0.047 0.000 1.024 45 E CA -0.308 56.129 56.400 0.061 0.000 0.903 45 E CB 0.876 30.596 29.700 0.034 0.000 0.963 45 E HN 0.261 8.621 8.360 0.000 0.000 0.432 46 A N 2.277 125.121 122.820 0.040 0.000 2.507 46 A HA -0.059 4.254 4.320 -0.012 0.000 0.235 46 A C 0.314 177.907 177.584 0.014 0.000 1.070 46 A CA -0.362 51.691 52.037 0.026 0.000 0.768 46 A CB 0.259 19.269 19.000 0.016 0.000 1.011 46 A HN 0.836 8.986 8.150 0.000 0.000 0.502 47 C N 2.179 121.485 119.300 0.010 0.000 2.648 47 C HA 0.252 4.704 4.460 -0.012 0.000 0.406 47 C C 0.740 175.728 174.990 -0.003 0.000 1.406 47 C CA -0.156 58.864 59.018 0.003 0.000 1.610 47 C CB -1.649 26.094 27.740 0.004 0.000 2.451 47 C HN 0.830 9.060 8.230 0.000 0.000 0.608 48 E N 4.929 125.126 120.200 -0.005 0.000 2.089 48 E HA 0.341 4.683 4.350 -0.012 0.000 0.284 48 E C -0.935 175.658 176.600 -0.011 0.000 1.023 48 E CA -0.574 55.819 56.400 -0.011 0.000 0.819 48 E CB 0.692 30.385 29.700 -0.012 0.000 1.076 48 E HN 0.763 9.123 8.360 0.000 0.000 0.396 49 L N 6.088 127.302 121.223 -0.014 0.000 2.260 49 L HA 0.337 4.670 4.340 -0.012 0.000 0.289 49 L C -0.581 176.281 176.870 -0.014 0.000 1.057 49 L CA -0.084 54.749 54.840 -0.011 0.000 0.811 49 L CB 0.488 42.541 42.059 -0.010 0.000 1.184 49 L HN 0.504 8.734 8.230 0.000 0.000 0.429 50 R N 3.100 123.596 120.500 -0.008 0.000 2.787 50 R HA 0.338 4.671 4.340 -0.012 0.000 0.271 50 R C -0.168 176.135 176.300 0.004 0.000 0.993 50 R CA -0.821 55.276 56.100 -0.006 0.000 0.993 50 R CB 1.280 31.579 30.300 -0.002 0.000 1.155 50 R HN 0.556 8.826 8.270 0.000 0.000 0.486 51 D N 0.264 120.671 120.400 0.012 0.000 2.183 51 D HA 0.034 4.666 4.640 -0.012 0.000 0.205 51 D C 1.071 177.385 176.300 0.023 0.000 0.962 51 D CA 1.334 55.345 54.000 0.019 0.000 0.849 51 D CB 0.061 40.879 40.800 0.030 0.000 0.978 51 D HN 0.915 9.285 8.370 0.000 0.000 0.488 52 G N 1.609 110.426 108.800 0.028 0.000 2.179 52 G HA2 -0.263 3.689 3.960 -0.012 0.000 0.257 52 G HA3 -0.263 3.689 3.960 -0.012 0.000 0.257 52 G C -0.130 174.789 174.900 0.031 0.000 1.010 52 G CA 0.362 45.479 45.100 0.028 0.000 0.736 52 G HN 0.342 8.632 8.290 0.000 0.000 0.513 53 D N 0.179 120.603 120.400 0.039 0.000 2.365 53 D HA 0.332 4.965 4.640 -0.012 0.000 0.237 53 D C 1.480 177.805 176.300 0.042 0.000 1.190 53 D CA -0.484 53.538 54.000 0.037 0.000 0.867 53 D CB 0.450 41.274 40.800 0.040 0.000 1.050 53 D HN 0.204 8.574 8.370 0.000 0.000 0.491 54 K N 2.531 122.950 120.400 0.030 0.000 2.362 54 K HA -0.056 4.256 4.320 -0.012 0.000 0.200 54 K C 1.225 177.837 176.600 0.019 0.000 1.046 54 K CA 0.600 56.904 56.287 0.029 0.000 0.952 54 K CB 0.355 32.868 32.500 0.022 0.000 0.753 54 K HN 0.420 8.670 8.250 0.000 0.000 0.466 55 K N 0.462 120.870 120.400 0.014 0.000 2.432 55 K HA -0.010 4.303 4.320 -0.012 0.000 0.196 55 K C 0.372 176.961 176.600 -0.018 0.000 1.038 55 K CA 0.519 56.804 56.287 -0.003 0.000 0.986 55 K CB 0.227 32.725 32.500 -0.003 0.000 0.782 55 K HN 0.017 8.267 8.250 0.000 0.000 0.485 56 R N 0.319 120.827 120.500 0.013 0.000 2.409 56 R HA 0.156 4.488 4.340 -0.012 0.000 0.313 56 R C -0.985 175.389 176.300 0.124 0.000 0.953 56 R CA -0.741 55.363 56.100 0.007 0.000 0.849 56 R CB 0.854 31.211 30.300 0.095 0.000 1.171 56 R HN 0.055 8.325 8.270 0.000 0.000 0.458 57 Y N 0.991 121.295 120.300 0.007 0.000 3.305 57 Y HA -0.278 4.265 4.550 -0.012 0.000 0.212 57 Y C 0.355 176.260 175.900 0.009 0.000 1.248 57 Y CA 0.622 58.727 58.100 0.008 0.000 1.359 57 Y CB -1.905 36.559 38.460 0.007 0.000 1.407 57 Y HN 0.558 8.838 8.280 0.000 0.000 0.572 58 V N -1.735 118.243 119.914 0.107 0.000 5.678 58 V HA -0.276 3.837 4.120 -0.012 0.000 0.205 58 V C 1.572 177.714 176.094 0.080 0.000 0.703 58 V CA 1.918 64.262 62.300 0.073 0.000 0.545 58 V CB -1.703 30.154 31.823 0.057 0.000 0.202 58 V HN 1.801 9.991 8.190 0.000 0.000 0.481 59 G N 0.834 109.684 108.800 0.084 0.000 2.184 59 G HA2 -0.327 3.625 3.960 -0.012 0.000 0.264 59 G HA3 -0.327 3.625 3.960 -0.012 0.000 0.264 59 G C 0.516 175.455 174.900 0.065 0.000 0.975 59 G CA 0.547 45.687 45.100 0.066 0.000 0.642 59 G HN 0.695 8.985 8.290 0.000 0.000 0.536 60 K N 0.797 121.250 120.400 0.089 0.000 2.387 60 K HA 0.310 4.623 4.320 -0.012 0.000 0.198 60 K C 1.603 178.191 176.600 -0.020 0.000 1.022 60 K CA 0.182 56.488 56.287 0.033 0.000 1.128 60 K CB 0.593 33.106 32.500 0.021 0.000 0.853 60 K HN 0.407 8.657 8.250 0.000 0.000 0.523 61 G N 0.102 108.929 108.800 0.046 0.000 2.614 61 G HA2 -0.036 3.917 3.960 -0.012 0.000 0.239 61 G HA3 -0.036 3.917 3.960 -0.012 0.000 0.239 61 G C 0.232 175.117 174.900 -0.025 0.000 1.240 61 G CA -0.417 44.694 45.100 0.018 0.000 0.842 61 G HN 0.315 8.605 8.290 0.000 0.000 0.584 62 C N 2.272 121.543 119.300 -0.048 0.000 2.849 62 C HA 0.258 4.711 4.460 -0.012 0.000 0.271 62 C C 2.337 177.310 174.990 -0.028 0.000 1.519 62 C CA -0.425 58.566 59.018 -0.044 0.000 1.783 62 C CB -1.597 26.102 27.740 -0.068 0.000 2.869 62 C HN 0.700 8.930 8.230 0.000 0.000 0.527 63 L N 0.577 121.797 121.223 -0.006 0.000 2.042 63 L HA -0.219 4.113 4.340 -0.012 0.000 0.210 63 L C 2.788 179.655 176.870 -0.005 0.000 1.076 63 L CA 1.626 56.467 54.840 0.001 0.000 0.749 63 L CB -0.506 41.566 42.059 0.022 0.000 0.893 63 L HN 0.375 8.605 8.230 0.000 0.000 0.432 64 Q N 0.343 120.141 119.800 -0.003 0.000 2.046 64 Q HA -0.149 4.183 4.340 -0.012 0.000 0.200 64 Q C 2.228 178.220 176.000 -0.013 0.000 0.975 64 Q CA 2.042 57.842 55.803 -0.004 0.000 0.836 64 Q CB -0.255 28.483 28.738 -0.000 0.000 0.896 64 Q HN 0.420 8.690 8.270 0.000 0.000 0.428 65 A N -0.568 122.240 122.820 -0.019 0.000 1.902 65 A HA -0.133 4.180 4.320 -0.012 0.000 0.217 65 A C 2.280 179.843 177.584 -0.035 0.000 1.181 65 A CA 1.649 53.670 52.037 -0.026 0.000 0.623 65 A CB -0.869 18.112 19.000 -0.031 0.000 0.818 65 A HN 0.278 8.428 8.150 0.000 0.000 0.443 66 V N 0.115 120.004 119.914 -0.043 0.000 2.343 66 V HA -0.270 3.843 4.120 -0.012 0.000 0.247 66 V C 2.523 178.585 176.094 -0.053 0.000 1.051 66 V CA 2.371 64.633 62.300 -0.064 0.000 1.036 66 V CB -0.610 31.169 31.823 -0.072 0.000 0.654 66 V HN 0.642 8.832 8.190 0.000 0.000 0.451 67 K N 0.055 120.437 120.400 -0.029 0.000 2.057 67 K HA -0.199 4.113 4.320 -0.012 0.000 0.207 67 K C 2.048 178.641 176.600 -0.012 0.000 1.049 67 K CA 1.650 57.928 56.287 -0.014 0.000 0.931 67 K CB -0.127 32.371 32.500 -0.004 0.000 0.714 67 K HN 0.448 8.698 8.250 0.000 0.000 0.440 68 N N 0.497 119.188 118.700 -0.014 0.000 2.120 68 N HA -0.143 4.590 4.740 -0.012 0.000 0.188 68 N C 1.838 177.340 175.510 -0.013 0.000 1.024 68 N CA 1.148 54.191 53.050 -0.011 0.000 0.852 68 N CB -0.508 37.972 38.487 -0.012 0.000 1.003 68 N HN -0.021 8.359 8.380 0.000 0.000 0.424 69 V N 1.756 121.655 119.914 -0.024 0.000 2.252 69 V HA -0.269 3.844 4.120 -0.012 0.000 0.249 69 V C 1.691 177.776 176.094 -0.015 0.000 1.056 69 V CA 1.854 64.138 62.300 -0.026 0.000 1.022 69 V CB -0.758 31.035 31.823 -0.050 0.000 0.641 69 V HN 0.395 8.585 8.190 0.000 0.000 0.445 70 N N -0.712 117.976 118.700 -0.020 0.000 2.270 70 N HA -0.107 4.626 4.740 -0.012 0.000 0.181 70 N C 1.626 177.150 175.510 0.022 0.000 1.016 70 N CA 1.146 54.200 53.050 0.008 0.000 0.870 70 N CB 0.044 38.538 38.487 0.012 0.000 0.979 70 N HN 0.614 8.994 8.380 0.000 0.000 0.431 71 E N -0.614 119.593 120.200 0.012 0.000 2.465 71 E HA 0.096 4.439 4.350 -0.012 0.000 0.209 71 E C 0.940 177.547 176.600 0.011 0.000 0.951 71 E CA 0.125 56.533 56.400 0.015 0.000 0.997 71 E CB 0.948 30.656 29.700 0.013 0.000 1.025 71 E HN 0.106 8.466 8.360 0.000 0.000 0.500 72 V N 0.329 120.247 119.914 0.007 0.000 2.950 72 V HA 0.036 4.149 4.120 -0.012 0.000 0.231 72 V C 1.910 178.008 176.094 0.006 0.000 1.205 72 V CA 0.300 62.603 62.300 0.006 0.000 1.239 72 V CB 0.092 31.917 31.823 0.003 0.000 1.050 72 V HN 0.089 8.279 8.190 0.000 0.000 0.498 73 I N 1.202 121.774 120.570 0.004 0.000 2.277 73 I HA 0.013 4.176 4.170 -0.012 0.000 0.243 73 I C 2.630 178.753 176.117 0.010 0.000 1.094 73 I CA 1.593 62.896 61.300 0.004 0.000 1.393 73 I CB -0.879 37.120 38.000 -0.001 0.000 1.078 73 I HN 0.398 8.608 8.210 0.000 0.000 0.417 74 G N 2.216 111.024 108.800 0.014 0.000 2.553 74 G HA2 -0.215 3.738 3.960 -0.012 0.000 0.218 74 G HA3 -0.215 3.738 3.960 -0.012 0.000 0.218 74 G C -0.569 174.346 174.900 0.025 0.000 1.195 74 G CA 1.030 46.145 45.100 0.025 0.000 0.779 74 G HN 0.286 8.576 8.290 0.000 0.000 0.577 75 P HA -0.044 4.376 4.420 0.000 0.000 0.217 75 P C 1.966 179.276 177.300 0.017 0.000 1.148 75 P CA 1.880 64.992 63.100 0.020 0.000 0.828 75 P CB -0.117 31.594 31.700 0.018 0.000 0.783 76 A N -1.243 121.585 122.820 0.014 0.000 2.016 76 A HA -0.044 4.269 4.320 -0.012 0.000 0.217 76 A C 2.000 179.591 177.584 0.012 0.000 1.162 76 A CA 1.032 53.075 52.037 0.011 0.000 0.662 76 A CB -1.259 17.746 19.000 0.008 0.000 0.812 76 A HN 0.153 8.303 8.150 0.000 0.000 0.450 77 L N 0.099 121.331 121.223 0.015 0.000 2.416 77 L HA 0.114 4.446 4.340 -0.012 0.000 0.216 77 L C -0.081 176.801 176.870 0.019 0.000 1.098 77 L CA -0.373 54.477 54.840 0.016 0.000 0.840 77 L CB -0.242 41.828 42.059 0.018 0.000 0.981 77 L HN 0.170 8.400 8.230 0.000 0.000 0.462 78 I N 1.675 122.259 120.570 0.022 0.000 2.742 78 I HA 0.027 4.190 4.170 -0.012 0.000 0.287 78 I C 1.482 177.611 176.117 0.020 0.000 1.186 78 I CA 1.022 62.337 61.300 0.025 0.000 1.417 78 I CB -0.578 37.437 38.000 0.025 0.000 1.377 78 I HN 0.403 8.613 8.210 0.000 0.000 0.556 79 G N 5.723 114.536 108.800 0.022 0.000 2.175 79 G HA2 -0.211 3.742 3.960 -0.012 0.000 0.244 79 G HA3 -0.211 3.742 3.960 -0.012 0.000 0.244 79 G C 0.502 175.409 174.900 0.012 0.000 0.982 79 G CA -0.455 44.656 45.100 0.018 0.000 0.641 79 G HN 0.482 8.772 8.290 0.000 0.000 0.527 80 R N 0.752 121.259 120.500 0.011 0.000 2.459 80 R HA 0.428 4.761 4.340 -0.012 0.000 0.281 80 R C -0.539 175.761 176.300 0.001 0.000 1.050 80 R CA -0.826 55.277 56.100 0.006 0.000 1.055 80 R CB 0.738 31.042 30.300 0.006 0.000 1.045 80 R HN 0.265 8.535 8.270 0.000 0.000 0.495 81 D N 2.611 123.009 120.400 -0.003 0.000 2.344 81 D HA -0.041 4.591 4.640 -0.012 0.000 0.253 81 D C 1.204 177.497 176.300 -0.012 0.000 1.255 81 D CA -0.054 53.941 54.000 -0.010 0.000 0.894 81 D CB 0.769 41.564 40.800 -0.009 0.000 1.067 81 D HN 0.463 8.833 8.370 0.000 0.000 0.492 82 E N 4.458 124.641 120.200 -0.028 0.000 2.267 82 E HA -0.203 4.140 4.350 -0.012 0.000 0.197 82 E C 1.673 178.250 176.600 -0.039 0.000 0.998 82 E CA 0.660 57.033 56.400 -0.046 0.000 0.830 82 E CB -0.322 29.322 29.700 -0.093 0.000 0.751 82 E HN 0.591 8.951 8.360 0.000 0.000 0.491 83 L N 0.410 121.616 121.223 -0.028 0.000 2.187 83 L HA -0.104 4.229 4.340 -0.012 0.000 0.213 83 L C 1.140 178.061 176.870 0.085 0.000 1.100 83 L CA 0.974 55.838 54.840 0.040 0.000 0.765 83 L CB -0.334 41.746 42.059 0.034 0.000 0.904 83 L HN -0.069 8.161 8.230 0.000 0.000 0.437 84 K N 1.111 121.535 120.400 0.041 0.000 2.480 84 K HA 0.001 4.313 4.320 -0.012 0.000 0.241 84 K C 0.918 177.542 176.600 0.040 0.000 1.261 84 K CA 0.112 56.420 56.287 0.035 0.000 1.193 84 K CB 0.622 33.131 32.500 0.016 0.000 1.598 84 K HN 0.125 8.375 8.250 0.000 0.000 0.278 85 Q N 1.625 121.466 119.800 0.068 0.000 2.045 85 Q HA -0.217 4.116 4.340 -0.012 0.000 0.206 85 Q C 1.687 177.706 176.000 0.031 0.000 0.991 85 Q CA 2.001 57.843 55.803 0.065 0.000 0.851 85 Q CB 0.097 28.892 28.738 0.095 0.000 0.911 85 Q HN 0.599 8.869 8.270 0.000 0.000 0.418 86 E N -0.449 119.761 120.200 0.016 0.000 2.072 86 E HA -0.220 4.123 4.350 -0.012 0.000 0.191 86 E C 1.898 178.499 176.600 0.002 0.000 0.985 86 E CA 1.031 57.433 56.400 0.003 0.000 0.801 86 E CB -0.107 29.588 29.700 -0.008 0.000 0.750 86 E HN 0.514 8.874 8.360 0.000 0.000 0.452 87 E N 0.236 120.438 120.200 0.004 0.000 2.058 87 E HA -0.221 4.122 4.350 -0.012 0.000 0.194 87 E C 2.131 178.733 176.600 0.004 0.000 0.997 87 E CA 1.180 57.582 56.400 0.002 0.000 0.801 87 E CB -0.002 29.700 29.700 0.003 0.000 0.746 87 E HN 0.281 8.641 8.360 0.000 0.000 0.450 88 L N 0.649 121.877 121.223 0.008 0.000 2.044 88 L HA -0.151 4.182 4.340 -0.012 0.000 0.205 88 L C 2.286 179.159 176.870 0.005 0.000 1.075 88 L CA 0.887 55.731 54.840 0.008 0.000 0.747 88 L CB -0.514 41.551 42.059 0.011 0.000 0.903 88 L HN 0.101 8.331 8.230 0.000 0.000 0.435 89 D N 0.056 120.460 120.400 0.006 0.000 2.133 89 D HA -0.185 4.448 4.640 -0.012 0.000 0.192 89 D C 2.141 178.440 176.300 -0.002 0.000 1.001 89 D CA 1.995 55.996 54.000 0.001 0.000 0.844 89 D CB -0.279 40.522 40.800 0.002 0.000 0.944 89 D HN 0.271 8.641 8.370 0.000 0.000 0.447 90 T N 1.194 115.746 114.554 -0.002 0.000 2.788 90 T HA -0.134 4.209 4.350 -0.012 0.000 0.268 90 T C 1.922 176.621 174.700 -0.003 0.000 1.044 90 T CA 0.464 62.562 62.100 -0.004 0.000 1.139 90 T CB -0.349 68.516 68.868 -0.005 0.000 0.867 90 T HN 0.035 8.275 8.240 0.000 0.000 0.454 91 L N 1.087 122.310 121.223 -0.001 0.000 2.013 91 L HA -0.066 4.267 4.340 -0.012 0.000 0.212 91 L C 2.291 179.160 176.870 -0.001 0.000 1.073 91 L CA 1.861 56.701 54.840 -0.001 0.000 0.753 91 L CB -0.677 41.383 42.059 0.001 0.000 0.890 91 L HN 0.265 8.495 8.230 0.000 0.000 0.432 92 M N -1.571 118.028 119.600 -0.001 0.000 2.175 92 M HA -0.206 4.266 4.480 -0.012 0.000 0.264 92 M C 2.182 178.480 176.300 -0.004 0.000 1.063 92 M CA 1.557 56.855 55.300 -0.003 0.000 1.119 92 M CB -0.362 32.235 32.600 -0.004 0.000 1.377 92 M HN 0.315 8.605 8.290 0.000 0.000 0.415 93 L N -0.491 120.730 121.223 -0.004 0.000 2.012 93 L HA -0.240 4.092 4.340 -0.012 0.000 0.210 93 L C 2.598 179.466 176.870 -0.003 0.000 1.073 93 L CA 1.528 56.365 54.840 -0.004 0.000 0.748 93 L CB -0.789 41.267 42.059 -0.005 0.000 0.891 93 L HN 0.302 8.532 8.230 0.000 0.000 0.431 94 R N -0.094 120.405 120.500 -0.003 0.000 2.092 94 R HA -0.100 4.233 4.340 -0.012 0.000 0.231 94 R C 2.334 178.634 176.300 -0.001 0.000 1.119 94 R CA 0.979 57.078 56.100 -0.002 0.000 0.970 94 R CB -0.338 29.961 30.300 -0.002 0.000 0.864 94 R HN 0.340 8.610 8.270 0.000 0.000 0.440 95 L N 0.484 121.707 121.223 -0.001 0.000 2.083 95 L HA -0.224 4.109 4.340 -0.012 0.000 0.209 95 L C 2.038 178.908 176.870 -0.000 0.000 1.083 95 L CA 1.553 56.393 54.840 -0.000 0.000 0.752 95 L CB -0.334 41.725 42.059 -0.000 0.000 0.899 95 L HN 0.210 8.440 8.230 0.000 0.000 0.433 96 D N -0.744 119.656 120.400 -0.001 0.000 2.077 96 D HA -0.131 4.502 4.640 -0.012 0.000 0.196 96 D C 1.627 177.928 176.300 0.001 0.000 0.986 96 D CA 1.798 55.798 54.000 -0.001 0.000 0.829 96 D CB 0.019 40.818 40.800 -0.001 0.000 0.983 96 D HN 0.313 8.683 8.370 0.000 0.000 0.453 97 G N -0.550 108.250 108.800 0.000 0.000 2.179 97 G HA2 -0.258 3.694 3.960 -0.012 0.000 0.260 97 G HA3 -0.258 3.694 3.960 -0.012 0.000 0.260 97 G C 0.469 175.370 174.900 0.002 0.000 0.977 97 G CA 1.101 46.201 45.100 0.001 0.000 0.641 97 G HN 0.800 9.090 8.290 0.000 0.000 0.533 98 T N -2.916 111.640 114.554 0.003 0.000 2.908 98 T HA 0.715 5.057 4.350 -0.012 0.000 0.290 98 T C -1.213 173.492 174.700 0.008 0.000 1.034 98 T CA -1.054 61.049 62.100 0.006 0.000 1.010 98 T CB 2.897 71.769 68.868 0.008 0.000 1.068 98 T HN -0.117 8.123 8.240 0.000 0.000 0.481 99 P HA -0.033 4.387 4.420 0.000 0.000 0.218 99 P C 1.052 178.363 177.300 0.020 0.000 1.149 99 P CA 0.827 63.936 63.100 0.014 0.000 0.817 99 P CB 0.054 31.765 31.700 0.019 0.000 0.785 100 N N -1.138 117.576 118.700 0.022 0.000 2.230 100 N HA 0.028 4.761 4.740 -0.012 0.000 0.202 100 N C -0.106 175.414 175.510 0.015 0.000 1.119 100 N CA -0.023 53.042 53.050 0.026 0.000 0.851 100 N CB -0.294 38.212 38.487 0.032 0.000 0.990 100 N HN -0.034 8.346 8.380 0.000 0.000 0.497 101 K N -0.460 119.946 120.400 0.009 0.000 3.096 101 K HA -0.145 4.168 4.320 -0.012 0.000 0.266 101 K C 0.885 177.487 176.600 0.003 0.000 1.043 101 K CA 0.520 56.809 56.287 0.004 0.000 0.758 101 K CB -1.729 30.771 32.500 -0.000 0.000 1.260 101 K HN 0.496 8.746 8.250 0.000 0.000 0.481 102 G N 0.421 109.224 108.800 0.006 0.000 2.712 102 G HA2 -0.162 3.791 3.960 -0.012 0.000 0.212 102 G HA3 -0.162 3.791 3.960 -0.012 0.000 0.212 102 G C 1.194 176.096 174.900 0.003 0.000 1.142 102 G CA 0.634 45.737 45.100 0.005 0.000 0.789 102 G HN 0.323 8.613 8.290 0.000 0.000 0.535 103 K N -0.113 120.288 120.400 0.002 0.000 2.005 103 K HA 0.205 4.518 4.320 -0.012 0.000 0.206 103 K C 2.155 178.755 176.600 -0.001 0.000 1.044 103 K CA 0.538 56.826 56.287 0.001 0.000 0.942 103 K CB -0.170 32.331 32.500 0.002 0.000 0.727 103 K HN 0.251 8.501 8.250 0.000 0.000 0.439 104 L N -0.344 120.878 121.223 -0.003 0.000 2.298 104 L HA 0.192 4.525 4.340 -0.012 0.000 0.209 104 L C 0.464 177.329 176.870 -0.009 0.000 1.084 104 L CA 0.326 55.162 54.840 -0.006 0.000 0.816 104 L CB 0.162 42.217 42.059 -0.006 0.000 0.967 104 L HN 0.539 8.769 8.230 0.000 0.000 0.460 105 G N -0.574 108.221 108.800 -0.008 0.000 3.209 105 G HA2 -0.072 3.881 3.960 -0.012 0.000 0.686 105 G HA3 -0.072 3.881 3.960 -0.012 0.000 0.686 105 G C 0.586 175.477 174.900 -0.014 0.000 1.065 105 G CA -0.294 44.800 45.100 -0.011 0.000 0.812 105 G HN 0.192 8.482 8.290 0.000 0.000 0.573 106 A N 2.177 124.990 122.820 -0.012 0.000 1.986 106 A HA -0.158 4.155 4.320 -0.012 0.000 0.220 106 A C 2.249 179.817 177.584 -0.026 0.000 1.171 106 A CA 2.369 54.396 52.037 -0.016 0.000 0.640 106 A CB -0.651 18.342 19.000 -0.011 0.000 0.811 106 A HN 1.639 9.789 8.150 0.000 0.000 0.451 107 N N -0.265 118.419 118.700 -0.027 0.000 2.309 107 N HA 0.078 4.811 4.740 -0.012 0.000 0.182 107 N C 1.671 177.159 175.510 -0.038 0.000 1.018 107 N CA 1.033 54.062 53.050 -0.035 0.000 0.876 107 N CB -0.212 38.253 38.487 -0.036 0.000 0.972 107 N HN 0.383 8.763 8.380 0.000 0.000 0.434 108 A N 1.416 124.217 122.820 -0.032 0.000 1.874 108 A HA 0.102 4.415 4.320 -0.012 0.000 0.214 108 A C 2.190 179.756 177.584 -0.031 0.000 1.189 108 A CA 0.522 52.540 52.037 -0.032 0.000 0.615 108 A CB -0.509 18.476 19.000 -0.026 0.000 0.830 108 A HN 0.255 8.405 8.150 0.000 0.000 0.443 109 I N -0.665 119.889 120.570 -0.027 0.000 2.202 109 I HA -0.207 3.955 4.170 -0.012 0.000 0.242 109 I C 2.430 178.525 176.117 -0.037 0.000 1.091 109 I CA 1.097 62.382 61.300 -0.026 0.000 1.368 109 I CB -0.268 37.719 38.000 -0.020 0.000 1.058 109 I HN 0.363 8.573 8.210 0.000 0.000 0.410 110 L N 1.268 122.462 121.223 -0.048 0.000 2.012 110 L HA -0.116 4.217 4.340 -0.012 0.000 0.210 110 L C 2.349 179.164 176.870 -0.091 0.000 1.073 110 L CA 2.294 57.089 54.840 -0.074 0.000 0.748 110 L CB -1.239 40.772 42.059 -0.080 0.000 0.891 110 L HN 0.204 8.434 8.230 0.000 0.000 0.431 111 G N -1.594 107.163 108.800 -0.072 0.000 2.432 111 G HA2 -0.247 3.706 3.960 -0.012 0.000 0.219 111 G HA3 -0.247 3.706 3.960 -0.012 0.000 0.219 111 G C 1.575 176.449 174.900 -0.043 0.000 1.135 111 G CA 0.949 46.009 45.100 -0.066 0.000 0.767 111 G HN 0.548 8.838 8.290 0.000 0.000 0.550 112 C N 0.036 119.317 119.300 -0.031 0.000 2.436 112 C HA -0.031 4.422 4.460 -0.012 0.000 0.277 112 C C 3.267 178.250 174.990 -0.013 0.000 1.241 112 C CA 1.213 60.224 59.018 -0.011 0.000 1.721 112 C CB -0.956 26.779 27.740 -0.008 0.000 2.043 112 C HN 0.466 8.696 8.230 0.000 0.000 0.472 113 S N 0.252 115.934 115.700 -0.030 0.000 2.369 113 S HA -0.259 4.204 4.470 -0.012 0.000 0.225 113 S C 1.866 176.450 174.600 -0.027 0.000 1.043 113 S CA 2.152 60.335 58.200 -0.028 0.000 1.074 113 S CB -0.364 62.807 63.200 -0.048 0.000 0.962 113 S HN 0.544 8.854 8.310 0.000 0.000 0.433 114 M N 0.771 120.306 119.600 -0.109 0.000 2.082 114 M HA -0.157 4.316 4.480 -0.012 0.000 0.258 114 M C 2.474 178.817 176.300 0.072 0.000 1.071 114 M CA 1.943 57.143 55.300 -0.166 0.000 1.103 114 M CB -0.624 31.745 32.600 -0.385 0.000 1.307 114 M HN 0.484 8.774 8.290 0.000 0.000 0.409 115 A N 0.181 123.031 122.820 0.050 0.000 1.933 115 A HA -0.125 4.187 4.320 -0.012 0.000 0.218 115 A C 2.077 179.693 177.584 0.053 0.000 1.175 115 A CA 1.425 53.523 52.037 0.102 0.000 0.628 115 A CB -0.984 18.077 19.000 0.101 0.000 0.814 115 A HN 0.482 8.632 8.150 0.000 0.000 0.444 116 I N 0.748 121.332 120.570 0.024 0.000 2.151 116 I HA -0.311 3.852 4.170 -0.012 0.000 0.243 116 I C 2.916 178.994 176.117 -0.066 0.000 1.080 116 I CA 1.826 63.115 61.300 -0.019 0.000 1.339 116 I CB -0.246 37.757 38.000 0.005 0.000 1.039 116 I HN 0.537 8.747 8.210 0.000 0.000 0.409 117 S N 0.502 116.217 115.700 0.024 0.000 2.402 117 S HA -0.151 4.312 4.470 -0.012 0.000 0.229 117 S C 1.907 176.418 174.600 -0.148 0.000 1.021 117 S CA 0.725 58.956 58.200 0.052 0.000 0.974 117 S CB -0.314 63.055 63.200 0.282 0.000 0.800 117 S HN 0.392 8.702 8.310 0.000 0.000 0.484 118 K N 1.715 122.058 120.400 -0.095 0.000 2.057 118 K HA 0.122 4.434 4.320 -0.012 0.000 0.206 118 K C 2.579 178.709 176.600 -0.782 0.000 1.050 118 K CA 1.180 57.328 56.287 -0.230 0.000 0.935 118 K CB -0.556 31.983 32.500 0.065 0.000 0.715 118 K HN 0.476 8.726 8.250 0.000 0.000 0.439 119 A N 1.579 123.844 122.820 -0.925 0.000 1.902 119 A HA -0.127 4.186 4.320 -0.012 0.000 0.217 119 A C 2.375 179.476 177.584 -0.805 0.000 1.181 119 A CA 1.864 53.117 52.037 -1.306 0.000 0.623 119 A CB -0.727 17.945 19.000 -0.546 0.000 0.818 119 A HN 0.334 8.484 8.150 0.000 0.000 0.443 120 A N -0.003 122.441 122.820 -0.628 0.000 1.858 120 A HA 0.145 4.457 4.320 -0.012 0.000 0.216 120 A C 2.561 179.578 177.584 -0.944 0.000 1.190 120 A CA 2.288 53.905 52.037 -0.699 0.000 0.617 120 A CB -1.262 17.310 19.000 -0.714 0.000 0.827 120 A HN 1.164 9.314 8.150 0.000 0.000 0.443 121 A N -0.013 122.127 122.820 -1.134 0.000 1.903 121 A HA -0.027 4.285 4.320 -0.012 0.000 0.219 121 A C 2.544 179.890 177.584 -0.397 0.000 1.191 121 A CA 2.847 54.464 52.037 -0.701 0.000 0.638 121 A CB -1.243 17.536 19.000 -0.368 0.000 0.823 121 A HN 1.248 9.398 8.150 0.000 0.000 0.451 122 A N -0.455 122.114 122.820 -0.419 0.000 1.908 122 A HA 0.110 4.423 4.320 -0.012 0.000 0.218 122 A C 2.527 180.005 177.584 -0.177 0.000 1.181 122 A CA 2.380 54.274 52.037 -0.238 0.000 0.627 122 A CB -1.066 17.796 19.000 -0.229 0.000 0.818 122 A HN 1.221 9.371 8.150 0.000 0.000 0.445 123 A N -0.717 121.955 122.820 -0.248 0.000 1.933 123 A HA -0.120 4.193 4.320 -0.012 0.000 0.218 123 A C 2.025 179.541 177.584 -0.113 0.000 1.175 123 A CA 1.664 53.610 52.037 -0.151 0.000 0.628 123 A CB -0.303 18.601 19.000 -0.161 0.000 0.814 123 A HN 0.331 8.481 8.150 0.000 0.000 0.444 124 K N -1.181 119.131 120.400 -0.147 0.000 2.365 124 K HA 0.016 4.328 4.320 -0.012 0.000 0.199 124 K C 1.151 177.721 176.600 -0.050 0.000 1.045 124 K CA 0.778 57.027 56.287 -0.064 0.000 0.962 124 K CB -0.501 32.002 32.500 0.005 0.000 0.759 124 K HN 0.817 9.067 8.250 0.000 0.000 0.469 125 G N 1.659 110.416 108.800 -0.071 0.000 2.198 125 G HA2 -0.237 3.716 3.960 -0.012 0.000 0.257 125 G HA3 -0.237 3.716 3.960 -0.012 0.000 0.257 125 G C 0.075 174.943 174.900 -0.055 0.000 1.042 125 G CA 0.507 45.578 45.100 -0.049 0.000 0.791 125 G HN 0.257 8.547 8.290 0.000 0.000 0.502 126 V N -3.701 116.165 119.914 -0.081 0.000 2.962 126 V HA 0.950 5.063 4.120 -0.012 0.000 0.313 126 V C -2.157 173.840 176.094 -0.162 0.000 1.099 126 V CA -2.604 59.630 62.300 -0.109 0.000 0.971 126 V CB 2.213 33.983 31.823 -0.088 0.000 1.028 126 V HN 0.086 8.276 8.190 0.000 0.000 0.430 127 P HA 0.098 4.518 4.420 0.000 0.000 0.268 127 P C 0.818 177.917 177.300 -0.335 0.000 1.208 127 P CA -0.175 62.734 63.100 -0.318 0.000 0.777 127 P CB 0.776 32.152 31.700 -0.540 0.000 0.875 128 L N 3.369 124.475 121.223 -0.194 0.000 2.021 128 L HA -0.260 4.073 4.340 -0.012 0.000 0.215 128 L C 2.556 179.353 176.870 -0.120 0.000 1.074 128 L CA 2.097 56.861 54.840 -0.127 0.000 0.760 128 L CB -1.969 40.013 42.059 -0.129 0.000 0.889 128 L HN 0.509 8.739 8.230 0.000 0.000 0.433 129 Y N -1.662 118.593 120.300 -0.075 0.000 2.256 129 Y HA -0.159 4.384 4.550 -0.012 0.000 0.288 129 Y C 2.409 178.284 175.900 -0.042 0.000 1.155 129 Y CA 1.194 59.247 58.100 -0.079 0.000 1.203 129 Y CB -0.944 37.465 38.460 -0.085 0.000 0.980 129 Y HN 0.044 8.324 8.280 0.000 0.000 0.530 130 R N -0.249 119.983 120.500 -0.446 0.000 2.062 130 R HA -0.134 4.198 4.340 -0.012 0.000 0.229 130 R C 2.173 178.414 176.300 -0.097 0.000 1.128 130 R CA 1.539 57.502 56.100 -0.229 0.000 0.960 130 R CB -1.271 28.843 30.300 -0.311 0.000 0.855 130 R HN 0.552 8.822 8.270 0.000 0.000 0.432 131 Y N 1.792 121.978 120.300 -0.190 0.000 2.097 131 Y HA -0.227 4.315 4.550 -0.012 0.000 0.282 131 Y C 2.258 178.109 175.900 -0.082 0.000 1.152 131 Y CA 1.723 59.747 58.100 -0.126 0.000 1.136 131 Y CB -0.361 38.016 38.460 -0.137 0.000 0.975 131 Y HN -0.065 8.215 8.280 0.000 0.000 0.498 132 L N -0.391 120.770 121.223 -0.104 0.000 2.131 132 L HA -0.235 4.098 4.340 -0.012 0.000 0.210 132 L C 2.741 179.531 176.870 -0.132 0.000 1.092 132 L CA 1.032 55.799 54.840 -0.123 0.000 0.759 132 L CB -0.930 41.114 42.059 -0.025 0.000 0.903 132 L HN 0.361 8.591 8.230 0.000 0.000 0.435 133 A N 0.157 122.923 122.820 -0.091 0.000 1.969 133 A HA -0.186 4.126 4.320 -0.012 0.000 0.218 133 A C 2.552 180.072 177.584 -0.106 0.000 1.169 133 A CA 1.745 53.743 52.037 -0.065 0.000 0.635 133 A CB -0.543 18.451 19.000 -0.010 0.000 0.810 133 A HN 0.519 8.669 8.150 0.000 0.000 0.445 134 S N 0.289 115.889 115.700 -0.165 0.000 2.355 134 S HA -0.105 4.357 4.470 -0.012 0.000 0.222 134 S C 1.918 176.386 174.600 -0.220 0.000 1.031 134 S CA 1.378 59.466 58.200 -0.187 0.000 0.993 134 S CB -0.835 62.236 63.200 -0.214 0.000 0.859 134 S HN 0.445 8.755 8.310 0.000 0.000 0.453 135 L N 1.304 122.333 121.223 -0.324 0.000 2.079 135 L HA -0.067 4.266 4.340 -0.012 0.000 0.210 135 L C 3.008 179.791 176.870 -0.144 0.000 1.081 135 L CA 1.445 56.130 54.840 -0.259 0.000 0.752 135 L CB -0.754 41.131 42.059 -0.290 0.000 0.896 135 L HN 0.538 8.768 8.230 0.000 0.000 0.433 136 A N -0.594 122.156 122.820 -0.118 0.000 2.251 136 A HA 0.266 4.579 4.320 -0.012 0.000 0.209 136 A C 1.686 179.229 177.584 -0.068 0.000 1.187 136 A CA 0.635 52.626 52.037 -0.075 0.000 0.823 136 A CB -0.406 18.561 19.000 -0.055 0.000 0.846 136 A HN 0.511 8.661 8.150 0.000 0.000 0.486 137 G N -0.059 108.695 108.800 -0.077 0.000 2.249 137 G HA2 -0.247 3.705 3.960 -0.012 0.000 0.273 137 G HA3 -0.247 3.705 3.960 -0.012 0.000 0.273 137 G C 0.291 175.161 174.900 -0.049 0.000 1.036 137 G CA 0.549 45.612 45.100 -0.062 0.000 0.824 137 G HN 0.561 8.851 8.290 0.000 0.000 0.504 138 T N 0.082 114.609 114.554 -0.046 0.000 2.834 138 T HA 0.264 4.607 4.350 -0.012 0.000 0.298 138 T C 1.701 176.385 174.700 -0.026 0.000 0.966 138 T CA 0.360 62.441 62.100 -0.032 0.000 1.141 138 T CB 1.243 70.096 68.868 -0.026 0.000 0.905 138 T HN 0.391 8.631 8.240 0.000 0.000 0.535 139 K N 1.767 122.153 120.400 -0.023 0.000 2.228 139 K HA 0.053 4.366 4.320 -0.012 0.000 0.202 139 K C 0.885 177.478 176.600 -0.012 0.000 1.051 139 K CA 0.780 57.056 56.287 -0.019 0.000 0.960 139 K CB 0.394 32.881 32.500 -0.021 0.000 0.743 139 K HN 0.597 8.847 8.250 0.000 0.000 0.458 140 E N 1.137 121.330 120.200 -0.013 0.000 2.302 140 E HA 0.173 4.516 4.350 -0.012 0.000 0.263 140 E C -1.103 175.493 176.600 -0.007 0.000 0.897 140 E CA -0.324 56.072 56.400 -0.008 0.000 0.809 140 E CB 1.041 30.731 29.700 -0.017 0.000 1.270 140 E HN 0.006 8.366 8.360 0.000 0.000 0.410 141 L N 4.292 125.519 121.223 0.007 0.000 2.483 141 L HA 0.296 4.628 4.340 -0.012 0.000 0.276 141 L C 0.548 177.405 176.870 -0.021 0.000 1.213 141 L CA 0.429 55.269 54.840 0.000 0.000 0.843 141 L CB 0.140 42.214 42.059 0.025 0.000 1.107 141 L HN 0.560 8.790 8.230 0.000 0.000 0.487 142 R N 2.201 122.675 120.500 -0.043 0.000 2.707 142 R HA 0.545 4.878 4.340 -0.012 0.000 0.272 142 R C -1.649 174.613 176.300 -0.062 0.000 1.011 142 R CA -1.097 54.978 56.100 -0.043 0.000 0.893 142 R CB 1.105 31.375 30.300 -0.050 0.000 1.233 142 R HN 0.238 8.508 8.270 0.000 0.000 0.464 143 L N 2.959 124.179 121.223 -0.006 0.000 2.367 143 L HA 0.405 4.738 4.340 -0.012 0.000 0.275 143 L C -1.926 174.961 176.870 0.030 0.000 1.129 143 L CA -1.543 53.319 54.840 0.037 0.000 0.839 143 L CB 0.586 42.789 42.059 0.240 0.000 1.133 143 L HN 0.645 8.875 8.230 0.000 0.000 0.453 144 P HA 0.127 4.547 4.420 0.000 0.000 0.282 144 P C -0.491 176.816 177.300 0.011 0.000 1.259 144 P CA -0.584 62.473 63.100 -0.072 0.000 0.826 144 P CB 1.864 33.527 31.700 -0.062 0.000 1.064 145 V N 3.433 123.222 119.914 -0.208 0.000 2.479 145 V HA 0.193 4.306 4.120 -0.012 0.000 0.281 145 V C -2.083 174.018 176.094 0.011 0.000 1.031 145 V CA -1.990 60.294 62.300 -0.025 0.000 1.038 145 V CB 0.304 32.111 31.823 -0.026 0.000 0.981 145 V HN 0.518 8.708 8.190 0.000 0.000 0.478 146 P HA 0.256 4.676 4.420 0.000 0.000 0.280 146 P C -0.984 175.982 177.300 -0.556 0.000 1.244 146 P CA -0.358 62.508 63.100 -0.391 0.000 0.784 146 P CB 0.761 32.065 31.700 -0.660 0.000 0.913 147 C N 4.446 123.503 119.300 -0.405 0.000 2.225 147 C HA 0.430 4.882 4.460 -0.012 0.000 0.323 147 C C -0.008 174.869 174.990 -0.188 0.000 1.164 147 C CA -0.442 58.454 59.018 -0.203 0.000 1.565 147 C CB -1.777 25.931 27.740 -0.054 0.000 2.124 147 C HN 0.423 8.653 8.230 0.000 0.000 0.461 148 F N 2.939 122.927 119.950 0.063 0.000 2.375 148 F HA 0.237 4.758 4.527 -0.011 0.000 0.362 148 F C 0.849 176.687 175.800 0.063 0.000 1.129 148 F CA -0.386 57.638 58.000 0.040 0.000 1.154 148 F CB 0.149 39.176 39.000 0.044 0.000 1.205 148 F HN 0.531 8.831 8.300 0.000 0.000 0.513 149 N N 3.251 122.088 118.700 0.229 0.000 2.410 149 N HA 0.035 4.768 4.740 -0.012 0.000 0.281 149 N C 0.700 176.330 175.510 0.201 0.000 1.241 149 N CA -0.022 53.152 53.050 0.207 0.000 0.998 149 N CB 0.592 39.207 38.487 0.214 0.000 1.376 149 N HN 0.456 8.836 8.380 0.000 0.000 0.490 150 V N 1.145 121.193 119.914 0.224 0.000 3.565 150 V HA 0.400 4.513 4.120 -0.012 0.000 0.260 150 V C 0.729 176.960 176.094 0.229 0.000 1.231 150 V CA 0.437 62.880 62.300 0.239 0.000 1.100 150 V CB -0.284 31.722 31.823 0.305 0.000 0.807 150 V HN 0.357 8.547 8.190 0.000 0.000 0.454 151 I N 2.354 123.053 120.570 0.214 0.000 2.418 151 I HA 0.505 4.668 4.170 -0.012 0.000 0.287 151 I C -0.975 175.268 176.117 0.210 0.000 1.008 151 I CA -0.347 61.049 61.300 0.161 0.000 1.104 151 I CB 1.665 39.663 38.000 -0.005 0.000 1.264 151 I HN 0.120 8.330 8.210 0.000 0.000 0.438 152 N N 4.140 122.943 118.700 0.171 0.000 2.430 152 N HA 0.732 5.465 4.740 -0.012 0.000 0.292 152 N C -0.037 175.575 175.510 0.171 0.000 1.051 152 N CA -0.286 52.885 53.050 0.202 0.000 0.917 152 N CB 2.241 40.837 38.487 0.182 0.000 1.164 152 N HN 0.799 9.179 8.380 0.000 0.000 0.484 153 G N -1.094 107.828 108.800 0.202 0.000 3.058 153 G HA2 0.653 4.606 3.960 -0.012 0.000 0.282 153 G HA3 0.653 4.606 3.960 -0.012 0.000 0.282 153 G C 0.182 175.160 174.900 0.130 0.000 1.248 153 G CA -0.054 45.144 45.100 0.163 0.000 0.822 153 G HN 0.731 9.021 8.290 0.000 0.000 0.579 154 G N -0.065 108.837 108.800 0.170 0.000 2.596 154 G HA2 -0.313 3.640 3.960 -0.012 0.000 0.295 154 G HA3 -0.313 3.640 3.960 -0.012 0.000 0.295 154 G C 0.995 175.990 174.900 0.158 0.000 1.240 154 G CA 0.858 46.098 45.100 0.233 0.000 0.985 154 G HN 0.813 9.103 8.290 0.000 0.000 0.555 155 K N 0.433 120.924 120.400 0.152 0.000 2.555 155 K HA 0.055 4.368 4.320 -0.012 0.000 0.193 155 K C 1.679 178.425 176.600 0.243 0.000 1.032 155 K CA 0.982 57.378 56.287 0.182 0.000 1.004 155 K CB -0.129 32.489 32.500 0.197 0.000 0.804 155 K HN 0.675 8.925 8.250 0.000 0.000 0.496 156 H N -1.081 118.049 119.070 0.099 0.000 2.551 156 H HA 0.285 4.834 4.556 -0.012 0.000 0.271 156 H C -0.029 175.334 175.328 0.058 0.000 0.984 156 H CA -0.642 55.447 56.048 0.068 0.000 1.164 156 H CB 0.780 30.582 29.762 0.067 0.000 1.437 156 H HN 0.049 8.329 8.280 0.000 0.000 0.550 157 A N 0.494 123.410 122.820 0.160 0.000 2.574 157 A HA 0.520 4.833 4.320 -0.012 0.000 0.297 157 A C 0.019 177.625 177.584 0.037 0.000 1.062 157 A CA -0.433 51.660 52.037 0.094 0.000 0.686 157 A CB 1.049 20.107 19.000 0.096 0.000 1.285 157 A HN 0.232 8.382 8.150 0.000 0.000 0.403 158 G N 1.898 110.710 108.800 0.021 0.000 2.770 158 G HA2 0.473 4.426 3.960 -0.012 0.000 0.307 158 G HA3 0.473 4.426 3.960 -0.012 0.000 0.307 158 G C -0.358 174.523 174.900 -0.032 0.000 0.863 158 G CA 0.146 45.241 45.100 -0.008 0.000 1.595 158 G HN 1.240 9.530 8.290 0.000 0.000 0.496 159 N N -0.893 117.773 118.700 -0.058 0.000 3.227 159 N HA 0.389 5.122 4.740 -0.012 0.000 0.241 159 N C 0.529 175.971 175.510 -0.114 0.000 1.480 159 N CA -0.225 52.776 53.050 -0.083 0.000 0.886 159 N CB 0.825 39.259 38.487 -0.088 0.000 1.406 159 N HN 0.107 8.487 8.380 0.000 0.000 0.514 160 A N -0.542 122.206 122.820 -0.121 0.000 2.066 160 A HA 0.126 4.439 4.320 -0.012 0.000 0.218 160 A C 0.703 178.208 177.584 -0.133 0.000 1.157 160 A CA 0.337 52.287 52.037 -0.144 0.000 0.670 160 A CB -0.549 18.380 19.000 -0.119 0.000 0.804 160 A HN 0.588 8.738 8.150 0.000 0.000 0.453 161 L N 1.891 123.061 121.223 -0.087 0.000 2.737 161 L HA 0.039 4.371 4.340 -0.012 0.000 0.275 161 L C -1.104 175.802 176.870 0.060 0.000 1.179 161 L CA -0.959 53.870 54.840 -0.019 0.000 0.970 161 L CB 0.445 42.501 42.059 -0.005 0.000 1.268 161 L HN 0.106 8.336 8.230 0.000 0.000 0.485 162 P HA -0.114 4.306 4.420 0.000 0.000 0.220 162 P C 0.365 177.983 177.300 0.531 0.000 1.152 162 P CA 0.913 64.191 63.100 0.297 0.000 0.812 162 P CB 0.107 31.895 31.700 0.146 0.000 0.792 163 F N 0.114 120.234 119.950 0.283 0.000 2.379 163 F HA 0.232 4.752 4.527 -0.012 0.000 0.332 163 F C 2.262 178.176 175.800 0.191 0.000 1.096 163 F CA -0.877 57.250 58.000 0.212 0.000 1.105 163 F CB 1.460 40.577 39.000 0.195 0.000 1.189 163 F HN -0.133 8.167 8.300 0.000 0.000 0.515 164 Q N 1.246 121.177 119.800 0.219 0.000 2.165 164 Q HA 0.036 4.369 4.340 -0.012 0.000 0.197 164 Q C -0.575 175.494 176.000 0.114 0.000 0.952 164 Q CA 0.955 56.800 55.803 0.070 0.000 0.848 164 Q CB 0.496 29.158 28.738 -0.126 0.000 0.931 164 Q HN 0.668 8.938 8.270 0.000 0.000 0.470 165 E N -0.249 119.962 120.200 0.018 0.000 2.263 165 E HA 0.311 4.654 4.350 -0.012 0.000 0.268 165 E C -1.687 174.813 176.600 -0.166 0.000 0.884 165 E CA -0.373 56.056 56.400 0.049 0.000 0.766 165 E CB 1.635 31.360 29.700 0.042 0.000 1.196 165 E HN 0.061 8.421 8.360 0.000 0.000 0.416 166 F N 3.146 123.105 119.950 0.014 0.000 2.382 166 F HA 0.428 4.948 4.527 -0.011 0.000 0.361 166 F C 0.052 175.847 175.800 -0.007 0.000 1.109 166 F CA -0.646 57.323 58.000 -0.051 0.000 1.031 166 F CB 0.956 39.912 39.000 -0.074 0.000 1.234 166 F HN 0.179 8.479 8.300 0.000 0.000 0.445 167 M N 5.306 124.951 119.600 0.074 0.000 2.578 167 M HA 0.647 5.120 4.480 -0.012 0.000 0.321 167 M C -0.549 175.820 176.300 0.115 0.000 1.182 167 M CA -1.002 54.363 55.300 0.108 0.000 0.965 167 M CB 2.656 35.293 32.600 0.061 0.000 1.694 167 M HN 0.478 8.768 8.290 0.000 0.000 0.461 168 I N -0.337 120.365 120.570 0.220 0.000 2.530 168 I HA 0.959 5.121 4.170 -0.012 0.000 0.297 168 I C -0.955 175.423 176.117 0.435 0.000 1.011 168 I CA -0.783 60.705 61.300 0.313 0.000 1.107 168 I CB 1.996 40.155 38.000 0.265 0.000 1.285 168 I HN 0.742 8.952 8.210 0.000 0.000 0.436 169 A N 6.355 129.414 122.820 0.398 0.000 2.411 169 A HA 0.675 4.988 4.320 -0.012 0.000 0.285 169 A C -2.662 174.887 177.584 -0.057 0.000 1.129 169 A CA -1.441 50.699 52.037 0.172 0.000 0.736 169 A CB 0.973 19.991 19.000 0.030 0.000 1.186 169 A HN 0.620 8.770 8.150 0.000 0.000 0.445 170 P HA 0.070 4.490 4.420 0.000 0.000 0.235 170 P C 1.218 178.364 177.300 -0.257 0.000 1.765 170 P CA 0.153 62.678 63.100 -0.957 0.000 1.034 170 P CB -0.158 31.062 31.700 -0.800 0.000 1.984 171 V N -0.501 119.350 119.914 -0.106 0.000 2.720 171 V HA -0.159 3.953 4.120 -0.012 0.000 0.256 171 V C 1.451 177.629 176.094 0.139 0.000 1.082 171 V CA 1.385 63.758 62.300 0.120 0.000 1.101 171 V CB -1.101 30.835 31.823 0.189 0.000 0.693 171 V HN 0.106 8.296 8.190 0.000 0.000 0.479 172 K N 1.201 121.622 120.400 0.035 0.000 2.374 172 K HA 0.495 4.808 4.320 -0.012 0.000 0.196 172 K C 0.962 177.587 176.600 0.043 0.000 1.023 172 K CA 0.617 56.940 56.287 0.061 0.000 1.103 172 K CB 0.179 32.701 32.500 0.038 0.000 0.848 172 K HN 0.642 8.892 8.250 0.000 0.000 0.528 173 A N 1.559 124.388 122.820 0.014 0.000 2.466 173 A HA 0.114 4.427 4.320 -0.012 0.000 0.238 173 A C 1.235 178.801 177.584 -0.029 0.000 1.074 173 A CA 0.477 52.444 52.037 -0.117 0.000 0.774 173 A CB 0.147 18.940 19.000 -0.345 0.000 1.015 173 A HN 0.338 8.488 8.150 0.000 0.000 0.498 174 T N -1.971 112.478 114.554 -0.176 0.000 3.054 174 T HA 0.385 4.728 4.350 -0.012 0.000 0.255 174 T C 0.401 174.956 174.700 -0.241 0.000 1.035 174 T CA 0.525 62.587 62.100 -0.063 0.000 0.941 174 T CB -0.580 68.280 68.868 -0.013 0.000 1.026 174 T HN 1.466 9.706 8.240 0.000 0.000 0.533 175 S N -0.606 114.686 115.700 -0.678 0.000 2.579 175 S HA 0.585 5.048 4.470 -0.012 0.000 0.272 175 S C 0.113 174.101 174.600 -1.019 0.000 1.141 175 S CA -0.926 56.896 58.200 -0.631 0.000 0.843 175 S CB 1.002 64.063 63.200 -0.232 0.000 1.122 175 S HN -0.029 8.281 8.310 0.000 0.000 0.468 176 F N 2.319 121.923 119.950 -0.578 0.000 2.126 176 F HA -0.055 4.465 4.527 -0.012 0.000 0.299 176 F C 2.496 178.186 175.800 -0.184 0.000 1.096 176 F CA 2.350 60.197 58.000 -0.254 0.000 1.255 176 F CB -0.622 38.406 39.000 0.047 0.000 0.997 176 F HN 0.670 8.970 8.300 0.000 0.000 0.479 177 S N -0.085 115.560 115.700 -0.091 0.000 2.368 177 S HA -0.337 4.126 4.470 -0.012 0.000 0.226 177 S C 2.048 176.516 174.600 -0.221 0.000 1.044 177 S CA 1.848 59.986 58.200 -0.103 0.000 1.062 177 S CB -0.575 62.604 63.200 -0.034 0.000 0.931 177 S HN 0.619 8.929 8.310 0.000 0.000 0.440 178 E N 0.655 120.691 120.200 -0.274 0.000 2.072 178 E HA -0.112 4.231 4.350 -0.012 0.000 0.191 178 E C 2.172 178.577 176.600 -0.325 0.000 0.985 178 E CA 0.881 57.124 56.400 -0.262 0.000 0.801 178 E CB -0.255 29.295 29.700 -0.250 0.000 0.750 178 E HN 0.467 8.827 8.360 0.000 0.000 0.452 179 A N 1.159 123.698 122.820 -0.469 0.000 1.883 179 A HA -0.199 4.114 4.320 -0.012 0.000 0.217 179 A C 2.136 179.584 177.584 -0.227 0.000 1.186 179 A CA 1.460 53.276 52.037 -0.368 0.000 0.624 179 A CB -0.693 18.086 19.000 -0.368 0.000 0.822 179 A HN 0.387 8.537 8.150 0.000 0.000 0.444 180 L N -0.308 120.679 121.223 -0.393 0.000 2.027 180 L HA -0.068 4.265 4.340 -0.012 0.000 0.206 180 L C 2.487 179.263 176.870 -0.157 0.000 1.074 180 L CA 2.384 57.093 54.840 -0.218 0.000 0.745 180 L CB -0.636 41.239 42.059 -0.306 0.000 0.898 180 L HN 0.486 8.716 8.230 0.000 0.000 0.433 181 R N -0.938 119.478 120.500 -0.141 0.000 2.073 181 R HA -0.181 4.152 4.340 -0.012 0.000 0.234 181 R C 2.243 178.508 176.300 -0.058 0.000 1.134 181 R CA 2.082 58.136 56.100 -0.076 0.000 0.952 181 R CB -0.301 29.973 30.300 -0.043 0.000 0.850 181 R HN 0.364 8.634 8.270 0.000 0.000 0.433 182 M N -0.299 119.238 119.600 -0.106 0.000 2.080 182 M HA -0.102 4.371 4.480 -0.012 0.000 0.260 182 M C 2.327 178.705 176.300 0.130 0.000 1.068 182 M CA 1.928 57.166 55.300 -0.104 0.000 1.109 182 M CB -0.504 31.889 32.600 -0.345 0.000 1.342 182 M HN 0.441 8.731 8.290 0.000 0.000 0.405 183 G N -0.719 108.097 108.800 0.027 0.000 2.459 183 G HA2 -0.275 3.678 3.960 -0.012 0.000 0.217 183 G HA3 -0.275 3.678 3.960 -0.012 0.000 0.217 183 G C 1.593 176.220 174.900 -0.455 0.000 1.183 183 G CA 1.328 46.251 45.100 -0.295 0.000 0.776 183 G HN 0.470 8.760 8.290 0.000 0.000 0.552 184 S N 0.177 115.613 115.700 -0.441 0.000 2.383 184 S HA -0.130 4.333 4.470 -0.012 0.000 0.229 184 S C 2.250 176.610 174.600 -0.399 0.000 1.030 184 S CA 1.994 59.934 58.200 -0.433 0.000 1.002 184 S CB -0.302 62.741 63.200 -0.261 0.000 0.829 184 S HN 0.585 8.895 8.310 0.000 0.000 0.467 185 E N -0.183 119.959 120.200 -0.097 0.000 2.072 185 E HA -0.070 4.273 4.350 -0.012 0.000 0.191 185 E C 2.132 178.755 176.600 0.039 0.000 0.985 185 E CA 1.332 57.770 56.400 0.063 0.000 0.801 185 E CB -0.103 29.730 29.700 0.221 0.000 0.750 185 E HN 0.386 8.746 8.360 0.000 0.000 0.452 186 V N 0.652 120.577 119.914 0.019 0.000 2.427 186 V HA -0.259 3.853 4.120 -0.012 0.000 0.248 186 V C 1.996 178.073 176.094 -0.027 0.000 1.051 186 V CA 1.705 63.969 62.300 -0.060 0.000 1.048 186 V CB -0.557 31.110 31.823 -0.259 0.000 0.666 186 V HN 0.325 8.515 8.190 0.000 0.000 0.456 187 Y N 1.174 121.366 120.300 -0.180 0.000 2.165 187 Y HA -0.317 4.226 4.550 -0.011 0.000 0.286 187 Y C 2.559 178.512 175.900 0.088 0.000 1.155 187 Y CA 2.266 60.313 58.100 -0.088 0.000 1.164 187 Y CB -0.484 37.802 38.460 -0.290 0.000 0.978 187 Y HN 0.450 8.730 8.280 0.000 0.000 0.513 188 H N -1.877 117.268 119.070 0.124 0.000 2.357 188 H HA -0.112 4.437 4.556 -0.012 0.000 0.301 188 H C 2.397 177.695 175.328 -0.050 0.000 1.082 188 H CA 1.066 57.137 56.048 0.039 0.000 1.342 188 H CB -0.096 29.712 29.762 0.075 0.000 1.389 188 H HN 0.228 8.508 8.280 0.000 0.000 0.511 189 S N 0.853 116.584 115.700 0.052 0.000 2.368 189 S HA -0.138 4.325 4.470 -0.012 0.000 0.225 189 S C 2.092 176.632 174.600 -0.100 0.000 1.030 189 S CA 0.915 59.097 58.200 -0.030 0.000 0.999 189 S CB -0.274 62.901 63.200 -0.041 0.000 0.844 189 S HN 0.184 8.494 8.310 0.000 0.000 0.459 190 L N 2.400 123.558 121.223 -0.109 0.000 2.042 190 L HA -0.078 4.255 4.340 -0.012 0.000 0.210 190 L C 2.306 178.909 176.870 -0.444 0.000 1.076 190 L CA 1.780 56.514 54.840 -0.176 0.000 0.749 190 L CB -0.690 41.349 42.059 -0.033 0.000 0.893 190 L HN 0.178 8.408 8.230 0.000 0.000 0.432 191 R N -0.819 119.317 120.500 -0.607 0.000 2.103 191 R HA -0.167 4.165 4.340 -0.012 0.000 0.242 191 R C 2.160 178.188 176.300 -0.453 0.000 1.142 191 R CA 1.609 57.185 56.100 -0.873 0.000 0.960 191 R CB -0.802 29.197 30.300 -0.501 0.000 0.858 191 R HN 0.558 8.828 8.270 0.000 0.000 0.439 192 G N 0.635 109.280 108.800 -0.259 0.000 2.408 192 G HA2 -0.209 3.744 3.960 -0.012 0.000 0.217 192 G HA3 -0.209 3.744 3.960 -0.012 0.000 0.217 192 G C 1.457 176.254 174.900 -0.171 0.000 1.150 192 G CA 0.795 45.791 45.100 -0.174 0.000 0.776 192 G HN 0.280 8.570 8.290 0.000 0.000 0.542 193 I N 0.518 120.980 120.570 -0.179 0.000 2.202 193 I HA -0.115 4.048 4.170 -0.012 0.000 0.242 193 I C 2.661 178.688 176.117 -0.150 0.000 1.091 193 I CA 0.804 62.014 61.300 -0.149 0.000 1.368 193 I CB -0.168 37.757 38.000 -0.126 0.000 1.058 193 I HN 0.135 8.345 8.210 0.000 0.000 0.410 194 I N 0.747 121.209 120.570 -0.180 0.000 2.179 194 I HA -0.334 3.829 4.170 -0.012 0.000 0.242 194 I C 2.633 178.722 176.117 -0.048 0.000 1.088 194 I CA 1.526 62.786 61.300 -0.066 0.000 1.357 194 I CB -0.451 37.426 38.000 -0.205 0.000 1.051 194 I HN 0.218 8.428 8.210 0.000 0.000 0.409 195 K N 1.583 121.892 120.400 -0.150 0.000 2.103 195 K HA -0.256 4.056 4.320 -0.012 0.000 0.207 195 K C 2.196 178.742 176.600 -0.090 0.000 1.048 195 K CA 1.699 57.923 56.287 -0.105 0.000 0.930 195 K CB -0.053 32.370 32.500 -0.128 0.000 0.716 195 K HN 0.105 8.355 8.250 0.000 0.000 0.444 196 K N 0.702 121.032 120.400 -0.116 0.000 2.057 196 K HA -0.152 4.161 4.320 -0.012 0.000 0.206 196 K C 2.166 178.670 176.600 -0.160 0.000 1.050 196 K CA 1.518 57.733 56.287 -0.119 0.000 0.935 196 K CB 0.018 32.447 32.500 -0.117 0.000 0.715 196 K HN 0.064 8.314 8.250 0.000 0.000 0.439 197 K N -0.800 119.458 120.400 -0.237 0.000 2.031 197 K HA -0.117 4.196 4.320 -0.012 0.000 0.205 197 K C 1.137 177.415 176.600 -0.535 0.000 1.049 197 K CA 1.403 57.418 56.287 -0.453 0.000 0.939 197 K CB 0.114 32.204 32.500 -0.683 0.000 0.717 197 K HN 0.175 8.425 8.250 0.000 0.000 0.438 198 Y N -0.630 119.617 120.300 -0.089 0.000 2.445 198 Y HA 0.313 4.857 4.550 -0.010 0.000 0.247 198 Y C 0.710 176.569 175.900 -0.069 0.000 1.129 198 Y CA 0.086 58.141 58.100 -0.076 0.000 1.251 198 Y CB 1.283 39.695 38.460 -0.081 0.000 1.176 198 Y HN 0.259 8.539 8.280 0.000 0.000 0.522 199 G N 0.580 109.401 108.800 0.034 0.000 2.712 199 G HA2 -0.281 3.672 3.960 -0.012 0.000 0.683 199 G HA3 -0.281 3.672 3.960 -0.012 0.000 0.683 199 G C 0.268 175.169 174.900 0.001 0.000 1.320 199 G CA -0.031 45.071 45.100 0.004 0.000 0.847 199 G HN 0.180 8.470 8.290 0.000 0.000 0.553 200 Q N -0.934 118.859 119.800 -0.012 0.000 2.112 200 Q HA -0.158 4.175 4.340 -0.012 0.000 0.206 200 Q C 1.910 177.908 176.000 -0.004 0.000 0.987 200 Q CA 2.360 58.154 55.803 -0.015 0.000 0.858 200 Q CB -0.119 28.613 28.738 -0.011 0.000 0.905 200 Q HN 0.616 8.886 8.270 0.000 0.000 0.420 201 D N -0.911 119.491 120.400 0.004 0.000 2.371 201 D HA -0.060 4.573 4.640 -0.012 0.000 0.221 201 D C 0.940 177.244 176.300 0.007 0.000 0.986 201 D CA 0.842 54.847 54.000 0.008 0.000 0.899 201 D CB 0.179 40.983 40.800 0.006 0.000 0.902 201 D HN 0.345 8.715 8.370 0.000 0.000 0.530 202 A N 0.481 123.303 122.820 0.003 0.000 2.238 202 A HA 0.049 4.361 4.320 -0.012 0.000 0.210 202 A C 1.911 179.486 177.584 -0.014 0.000 1.179 202 A CA 0.141 52.167 52.037 -0.019 0.000 0.827 202 A CB 0.065 19.070 19.000 0.008 0.000 0.856 202 A HN 0.190 8.340 8.150 0.000 0.000 0.488 203 V N -2.691 117.224 119.914 0.001 0.000 3.444 203 V HA 0.209 4.322 4.120 -0.012 0.000 0.308 203 V C -0.077 176.161 176.094 0.240 0.000 1.371 203 V CA -0.862 61.456 62.300 0.030 0.000 1.141 203 V CB -1.101 30.645 31.823 -0.127 0.000 1.037 203 V HN 0.303 8.493 8.190 0.000 0.000 0.433 204 N N 1.916 120.714 118.700 0.163 0.000 2.424 204 N HA 0.434 5.166 4.740 -0.012 0.000 0.257 204 N C -0.150 175.467 175.510 0.177 0.000 1.250 204 N CA 0.393 53.535 53.050 0.153 0.000 0.946 204 N CB 2.218 40.757 38.487 0.086 0.000 1.175 204 N HN 0.464 8.844 8.380 0.000 0.000 0.477 205 V N -2.569 117.419 119.914 0.122 0.000 2.769 205 V HA 0.845 4.958 4.120 -0.012 0.000 0.312 205 V C 0.751 176.884 176.094 0.066 0.000 1.058 205 V CA -0.809 61.542 62.300 0.084 0.000 0.952 205 V CB 1.119 32.965 31.823 0.038 0.000 1.019 205 V HN 0.628 8.818 8.190 0.000 0.000 0.445 206 G N 1.337 110.175 108.800 0.064 0.000 2.535 206 G HA2 0.304 4.256 3.960 -0.012 0.000 0.282 206 G HA3 0.304 4.256 3.960 -0.012 0.000 0.282 206 G C 0.204 175.132 174.900 0.047 0.000 1.350 206 G CA 0.046 45.190 45.100 0.074 0.000 1.039 206 G HN 0.790 9.080 8.290 0.000 0.000 0.509 207 D N -0.376 120.048 120.400 0.040 0.000 2.182 207 D HA -0.080 4.553 4.640 -0.012 0.000 0.201 207 D C 1.785 178.052 176.300 -0.055 0.000 0.986 207 D CA 1.176 55.155 54.000 -0.035 0.000 0.847 207 D CB 0.221 40.948 40.800 -0.122 0.000 0.942 207 D HN 0.616 8.986 8.370 0.000 0.000 0.467 208 E N -0.986 119.204 120.200 -0.018 0.000 2.465 208 E HA 0.304 4.646 4.350 -0.012 0.000 0.195 208 E C 0.961 177.583 176.600 0.036 0.000 1.028 208 E CA 0.145 56.559 56.400 0.023 0.000 0.899 208 E CB 0.844 30.594 29.700 0.084 0.000 1.032 208 E HN 0.236 8.596 8.360 0.000 0.000 0.468 209 G N 1.194 109.995 108.800 0.003 0.000 2.175 209 G HA2 -0.247 3.706 3.960 -0.012 0.000 0.244 209 G HA3 -0.247 3.706 3.960 -0.012 0.000 0.244 209 G C 0.554 175.401 174.900 -0.089 0.000 0.982 209 G CA -0.222 44.845 45.100 -0.055 0.000 0.641 209 G HN 0.461 8.751 8.290 0.000 0.000 0.527 210 G N -0.338 108.453 108.800 -0.015 0.000 2.507 210 G HA2 0.579 4.532 3.960 -0.012 0.000 0.271 210 G HA3 0.579 4.532 3.960 -0.012 0.000 0.271 210 G C 0.061 174.915 174.900 -0.075 0.000 1.189 210 G CA -0.697 44.397 45.100 -0.009 0.000 0.859 210 G HN 0.273 8.563 8.290 0.000 0.000 0.542 211 F N 0.144 120.189 119.950 0.159 0.000 2.563 211 F HA 0.368 4.889 4.527 -0.010 0.000 0.363 211 F C 1.018 176.826 175.800 0.013 0.000 1.123 211 F CA 0.057 58.082 58.000 0.041 0.000 1.307 211 F CB 1.063 40.033 39.000 -0.050 0.000 1.115 211 F HN 0.453 8.753 8.300 0.000 0.000 0.592 212 A N 4.841 127.766 122.820 0.175 0.000 2.923 212 A HA 0.478 4.791 4.320 -0.012 0.000 0.343 212 A C -2.490 175.080 177.584 -0.023 0.000 1.199 212 A CA -1.473 50.601 52.037 0.061 0.000 0.878 212 A CB -0.662 18.373 19.000 0.058 0.000 1.104 212 A HN 0.392 8.542 8.150 0.000 0.000 0.483 213 P HA 0.247 4.667 4.420 0.000 0.000 0.274 213 P C -2.696 174.407 177.300 -0.327 0.000 1.256 213 P CA -1.598 61.320 63.100 -0.303 0.000 0.795 213 P CB 0.317 31.684 31.700 -0.556 0.000 1.038 214 P HA 0.247 4.667 4.420 0.000 0.000 0.225 214 P C -0.253 176.871 177.300 -0.295 0.000 1.768 214 P CA 0.292 63.239 63.100 -0.254 0.000 0.943 214 P CB -0.505 31.105 31.700 -0.151 0.000 1.936 215 I N 0.967 121.347 120.570 -0.316 0.000 2.392 215 I HA 0.237 4.400 4.170 -0.012 0.000 0.295 215 I C 1.581 177.609 176.117 -0.149 0.000 0.985 215 I CA -0.522 60.629 61.300 -0.249 0.000 1.221 215 I CB 2.309 40.121 38.000 -0.312 0.000 1.366 215 I HN -0.027 8.183 8.210 0.000 0.000 0.467 216 K N 2.936 123.277 120.400 -0.099 0.000 2.240 216 K HA 0.013 4.325 4.320 -0.012 0.000 0.202 216 K C 0.431 176.991 176.600 -0.066 0.000 1.053 216 K CA 0.130 56.368 56.287 -0.081 0.000 0.973 216 K CB 0.264 32.723 32.500 -0.068 0.000 0.924 216 K HN 0.612 8.862 8.250 0.000 0.000 0.477 217 D N 1.302 121.674 120.400 -0.047 0.000 2.383 217 D HA -0.032 4.601 4.640 -0.012 0.000 0.252 217 D C 1.191 177.499 176.300 0.012 0.000 1.166 217 D CA -0.089 53.901 54.000 -0.017 0.000 0.879 217 D CB 0.826 41.630 40.800 0.006 0.000 1.164 217 D HN 0.321 8.691 8.370 0.000 0.000 0.462 218 I N 0.801 121.412 120.570 0.068 0.000 2.830 218 I HA -0.061 4.101 4.170 -0.012 0.000 0.263 218 I C 0.919 177.287 176.117 0.418 0.000 1.230 218 I CA 0.648 62.109 61.300 0.268 0.000 1.480 218 I CB -0.343 37.782 38.000 0.208 0.000 1.095 218 I HN 0.190 8.400 8.210 0.000 0.000 0.455 219 N N 1.099 119.974 118.700 0.292 0.000 2.416 219 N HA -0.099 4.634 4.740 -0.012 0.000 0.177 219 N C 1.794 177.351 175.510 0.078 0.000 1.036 219 N CA 0.532 53.753 53.050 0.286 0.000 0.901 219 N CB -0.015 38.650 38.487 0.295 0.000 0.976 219 N HN 0.502 8.882 8.380 0.000 0.000 0.444 220 E N 1.104 121.307 120.200 0.006 0.000 2.106 220 E HA -0.077 4.265 4.350 -0.012 0.000 0.192 220 E C -0.835 175.684 176.600 -0.135 0.000 0.984 220 E CA 0.846 57.223 56.400 -0.038 0.000 0.806 220 E CB -0.259 29.429 29.700 -0.019 0.000 0.750 220 E HN 0.248 8.608 8.360 0.000 0.000 0.458 221 P HA -0.165 4.255 4.420 0.000 0.000 0.218 221 P C 1.107 178.235 177.300 -0.288 0.000 1.148 221 P CA 1.098 63.935 63.100 -0.438 0.000 0.822 221 P CB -0.033 30.986 31.700 -1.136 0.000 0.784 222 L N -0.742 120.290 121.223 -0.318 0.000 2.017 222 L HA -0.116 4.217 4.340 -0.012 0.000 0.208 222 L C -0.316 176.389 176.870 -0.275 0.000 1.073 222 L CA 2.034 56.570 54.840 -0.507 0.000 0.745 222 L CB -2.467 38.893 42.059 -1.165 0.000 0.894 222 L HN 0.046 8.276 8.230 0.000 0.000 0.432 223 P HA -0.155 4.265 4.420 0.000 0.000 0.218 223 P C 1.824 179.133 177.300 0.014 0.000 1.148 223 P CA 1.444 64.602 63.100 0.095 0.000 0.822 223 P CB 0.008 31.768 31.700 0.101 0.000 0.784 224 I N -1.427 119.122 120.570 -0.035 0.000 2.315 224 I HA -0.211 3.952 4.170 -0.012 0.000 0.248 224 I C 2.250 178.335 176.117 -0.053 0.000 1.117 224 I CA 1.219 62.493 61.300 -0.043 0.000 1.404 224 I CB -0.643 37.335 38.000 -0.036 0.000 1.071 224 I HN -0.090 8.120 8.210 0.000 0.000 0.419 225 L N -0.262 120.921 121.223 -0.067 0.000 2.017 225 L HA -0.235 4.097 4.340 -0.012 0.000 0.208 225 L C 2.775 179.609 176.870 -0.060 0.000 1.073 225 L CA 1.144 55.946 54.840 -0.064 0.000 0.745 225 L CB -0.592 41.428 42.059 -0.065 0.000 0.894 225 L HN 0.265 8.495 8.230 0.000 0.000 0.432 226 M N -0.355 119.239 119.600 -0.009 0.000 2.080 226 M HA -0.238 4.234 4.480 -0.012 0.000 0.260 226 M C 2.159 178.452 176.300 -0.012 0.000 1.068 226 M CA 1.624 56.938 55.300 0.024 0.000 1.109 226 M CB -1.256 31.413 32.600 0.115 0.000 1.342 226 M HN 0.299 8.589 8.290 0.000 0.000 0.405 227 E N 0.190 120.382 120.200 -0.015 0.000 2.070 227 E HA -0.202 4.141 4.350 -0.012 0.000 0.197 227 E C 1.999 178.563 176.600 -0.061 0.000 1.004 227 E CA 1.665 58.043 56.400 -0.036 0.000 0.805 227 E CB 0.033 29.710 29.700 -0.039 0.000 0.744 227 E HN 0.465 8.825 8.360 0.000 0.000 0.451 228 A N 0.935 123.708 122.820 -0.077 0.000 1.908 228 A HA -0.199 4.114 4.320 -0.012 0.000 0.218 228 A C 2.170 179.676 177.584 -0.130 0.000 1.181 228 A CA 1.512 53.490 52.037 -0.099 0.000 0.627 228 A CB -0.665 18.276 19.000 -0.099 0.000 0.818 228 A HN 0.335 8.485 8.150 0.000 0.000 0.445 229 I N -0.757 119.712 120.570 -0.168 0.000 2.179 229 I HA -0.268 3.895 4.170 -0.012 0.000 0.242 229 I C 2.582 178.650 176.117 -0.081 0.000 1.088 229 I CA 1.905 63.073 61.300 -0.220 0.000 1.357 229 I CB -0.277 37.586 38.000 -0.229 0.000 1.051 229 I HN 0.507 8.717 8.210 0.000 0.000 0.409 230 E N 1.334 121.502 120.200 -0.054 0.000 2.031 230 E HA -0.290 4.053 4.350 -0.012 0.000 0.193 230 E C 2.078 178.640 176.600 -0.062 0.000 0.994 230 E CA 1.690 58.069 56.400 -0.035 0.000 0.800 230 E CB -0.188 29.497 29.700 -0.025 0.000 0.752 230 E HN 0.392 8.752 8.360 0.000 0.000 0.447 231 E N -0.623 119.535 120.200 -0.070 0.000 2.153 231 E HA -0.177 4.166 4.350 -0.012 0.000 0.194 231 E C 1.734 178.276 176.600 -0.096 0.000 0.988 231 E CA 0.925 57.281 56.400 -0.074 0.000 0.811 231 E CB -0.229 29.430 29.700 -0.067 0.000 0.746 231 E HN 0.380 8.740 8.360 0.000 0.000 0.466 232 A N -0.088 122.661 122.820 -0.117 0.000 2.168 232 A HA 0.089 4.402 4.320 -0.012 0.000 0.215 232 A C 1.744 179.086 177.584 -0.404 0.000 1.152 232 A CA 1.206 53.140 52.037 -0.171 0.000 0.716 232 A CB -0.417 18.541 19.000 -0.069 0.000 0.794 232 A HN 0.477 8.627 8.150 0.000 0.000 0.465 233 G N -2.058 106.548 108.800 -0.324 0.000 2.141 233 G HA2 -0.199 3.754 3.960 -0.012 0.000 0.231 233 G HA3 -0.199 3.754 3.960 -0.012 0.000 0.231 233 G C 0.261 174.975 174.900 -0.310 0.000 0.984 233 G CA 0.347 45.250 45.100 -0.328 0.000 0.660 233 G HN 0.648 8.938 8.290 0.000 0.000 0.525 234 H N -0.176 118.940 119.070 0.077 0.000 2.486 234 H HA 0.226 4.775 4.556 -0.011 0.000 0.284 234 H C 1.389 176.819 175.328 0.171 0.000 1.103 234 H CA -0.007 56.140 56.048 0.164 0.000 1.089 234 H CB 0.253 30.214 29.762 0.332 0.000 1.603 234 H HN 0.607 8.887 8.280 0.000 0.000 0.557 235 R N 0.634 121.229 120.500 0.160 0.000 2.566 235 R HA 0.052 4.385 4.340 -0.012 0.000 0.273 235 R C 1.040 177.431 176.300 0.152 0.000 0.981 235 R CA 1.469 57.644 56.100 0.125 0.000 1.091 235 R CB 0.029 30.366 30.300 0.063 0.000 0.924 235 R HN 0.579 8.849 8.270 0.000 0.000 0.411 236 G N 3.583 112.472 108.800 0.148 0.000 2.253 236 G HA2 -0.268 3.685 3.960 -0.012 0.000 0.251 236 G HA3 -0.268 3.685 3.960 -0.012 0.000 0.251 236 G C 0.704 175.691 174.900 0.146 0.000 0.998 236 G CA 0.362 45.537 45.100 0.125 0.000 0.621 236 G HN 0.597 8.887 8.290 0.000 0.000 0.524 237 K N -0.350 120.180 120.400 0.217 0.000 2.400 237 K HA 0.393 4.706 4.320 -0.012 0.000 0.194 237 K C 0.414 177.045 176.600 0.052 0.000 1.033 237 K CA 0.222 56.598 56.287 0.148 0.000 1.021 237 K CB 0.154 32.743 32.500 0.150 0.000 0.808 237 K HN 0.441 8.691 8.250 0.000 0.000 0.505 238 F N 0.005 119.993 119.950 0.063 0.000 2.556 238 F HA 0.525 5.045 4.527 -0.011 0.000 0.327 238 F C 0.239 176.042 175.800 0.005 0.000 1.059 238 F CA -1.200 56.829 58.000 0.049 0.000 0.953 238 F CB 1.621 40.659 39.000 0.063 0.000 1.227 238 F HN -0.222 8.078 8.300 0.000 0.000 0.478 239 A N 2.194 125.097 122.820 0.138 0.000 2.350 239 A HA 0.870 5.182 4.320 -0.012 0.000 0.318 239 A C -1.090 176.488 177.584 -0.009 0.000 1.132 239 A CA -0.702 51.316 52.037 -0.032 0.000 0.811 239 A CB 1.061 19.892 19.000 -0.282 0.000 1.313 239 A HN 0.671 8.821 8.150 0.000 0.000 0.454 240 I N 0.090 120.610 120.570 -0.084 0.000 2.460 240 I HA 0.394 4.557 4.170 -0.012 0.000 0.298 240 I C -0.777 175.232 176.117 -0.179 0.000 0.989 240 I CA -0.397 60.848 61.300 -0.092 0.000 1.173 240 I CB 1.707 39.646 38.000 -0.101 0.000 1.338 240 I HN 0.528 8.738 8.210 0.000 0.000 0.456 241 C N 6.549 125.758 119.300 -0.151 0.000 2.455 241 C HA 0.665 5.118 4.460 -0.012 0.000 0.320 241 C C -0.135 174.740 174.990 -0.191 0.000 1.226 241 C CA -0.770 58.149 59.018 -0.165 0.000 1.569 241 C CB 1.291 28.967 27.740 -0.107 0.000 2.200 241 C HN 0.589 8.819 8.230 0.000 0.000 0.491 242 M N 2.751 122.213 119.600 -0.231 0.000 2.456 242 M HA 0.393 4.866 4.480 -0.012 0.000 0.324 242 M C -0.924 175.218 176.300 -0.264 0.000 1.124 242 M CA -0.155 54.942 55.300 -0.339 0.000 0.959 242 M CB 1.645 34.025 32.600 -0.367 0.000 1.692 242 M HN 0.701 8.991 8.290 0.000 0.000 0.444 243 D N 1.449 121.683 120.400 -0.277 0.000 2.462 243 D HA 0.332 4.965 4.640 -0.012 0.000 0.245 243 D C 0.296 176.413 176.300 -0.305 0.000 1.122 243 D CA -0.402 53.461 54.000 -0.229 0.000 0.864 243 D CB 1.158 41.894 40.800 -0.107 0.000 1.098 243 D HN 0.619 8.989 8.370 0.000 0.000 0.541 244 C N 3.043 122.070 119.300 -0.456 0.000 2.464 244 C HA 0.354 4.807 4.460 -0.012 0.000 0.278 244 C C 1.592 176.296 174.990 -0.478 0.000 1.375 244 C CA 0.339 58.888 59.018 -0.782 0.000 1.761 244 C CB -1.331 25.562 27.740 -1.411 0.000 1.944 244 C HN 0.893 9.123 8.230 0.000 0.000 0.509 245 A N 0.459 123.105 122.820 -0.291 0.000 2.560 245 A HA -0.077 4.236 4.320 -0.012 0.000 0.299 245 A C 1.393 178.918 177.584 -0.098 0.000 1.484 245 A CA 0.942 52.898 52.037 -0.136 0.000 0.749 245 A CB -1.509 17.445 19.000 -0.078 0.000 1.072 245 A HN 1.091 9.241 8.150 0.000 0.000 0.426 246 A N -0.200 122.527 122.820 -0.155 0.000 2.067 246 A HA 0.129 4.441 4.320 -0.012 0.000 0.219 246 A C 2.361 180.088 177.584 0.239 0.000 1.158 246 A CA 1.981 54.017 52.037 -0.000 0.000 0.661 246 A CB -0.605 18.306 19.000 -0.149 0.000 0.801 246 A HN 1.337 9.487 8.150 0.000 0.000 0.452 247 S N 0.358 116.143 115.700 0.143 0.000 2.380 247 S HA -0.184 4.279 4.470 -0.012 0.000 0.229 247 S C 1.714 176.366 174.600 0.086 0.000 1.043 247 S CA 1.524 59.805 58.200 0.136 0.000 1.038 247 S CB -0.325 62.922 63.200 0.077 0.000 0.872 247 S HN 0.654 8.964 8.310 0.000 0.000 0.456 248 E N 0.684 120.880 120.200 -0.007 0.000 2.331 248 E HA -0.112 4.231 4.350 -0.012 0.000 0.199 248 E C 2.105 178.418 176.600 -0.480 0.000 1.008 248 E CA 1.494 57.784 56.400 -0.183 0.000 0.843 248 E CB -0.572 29.034 29.700 -0.156 0.000 0.761 248 E HN 0.823 9.183 8.360 0.000 0.000 0.507 249 T N -3.330 111.105 114.554 -0.198 0.000 2.990 249 T HA 0.001 4.344 4.350 -0.012 0.000 0.250 249 T C 0.604 175.388 174.700 0.139 0.000 1.041 249 T CA -0.490 61.513 62.100 -0.162 0.000 1.010 249 T CB -0.303 68.680 68.868 0.192 0.000 1.003 249 T HN -0.011 8.229 8.240 0.000 0.000 0.499 250 Y N 2.886 123.205 120.300 0.033 0.000 2.442 250 Y HA 0.418 4.960 4.550 -0.012 0.000 0.330 250 Y C -0.273 175.603 175.900 -0.040 0.000 1.129 250 Y CA -1.304 56.714 58.100 -0.136 0.000 1.365 250 Y CB 0.605 38.932 38.460 -0.221 0.000 1.233 250 Y HN 0.206 8.486 8.280 0.000 0.000 0.529 251 D N 4.643 124.716 120.400 -0.546 0.000 2.414 251 D HA 0.124 4.756 4.640 -0.012 0.000 0.232 251 D C 0.729 176.500 176.300 -0.882 0.000 1.070 251 D CA -0.287 53.439 54.000 -0.457 0.000 0.839 251 D CB 0.898 41.566 40.800 -0.220 0.000 1.079 251 D HN 0.758 9.128 8.370 0.000 0.000 0.521 252 E N 3.320 123.194 120.200 -0.544 0.000 2.110 252 E HA -0.244 4.099 4.350 -0.012 0.000 0.193 252 E C 1.578 178.023 176.600 -0.258 0.000 0.988 252 E CA 1.084 57.289 56.400 -0.325 0.000 0.804 252 E CB 0.238 29.936 29.700 -0.003 0.000 0.745 252 E HN 0.594 8.954 8.360 0.000 0.000 0.458 253 K N 0.531 120.789 120.400 -0.237 0.000 2.103 253 K HA -0.152 4.161 4.320 -0.012 0.000 0.204 253 K C 2.053 178.497 176.600 -0.260 0.000 1.052 253 K CA 1.544 57.715 56.287 -0.193 0.000 0.945 253 K CB -0.014 32.400 32.500 -0.143 0.000 0.722 253 K HN -0.147 8.103 8.250 0.000 0.000 0.443 254 K N 0.825 120.983 120.400 -0.402 0.000 2.361 254 K HA 0.043 4.356 4.320 -0.012 0.000 0.196 254 K C 0.036 176.393 176.600 -0.405 0.000 1.039 254 K CA 0.567 56.565 56.287 -0.482 0.000 1.001 254 K CB 0.261 32.257 32.500 -0.841 0.000 0.795 254 K HN 0.317 8.567 8.250 0.000 0.000 0.495 255 Q N 0.401 119.937 119.800 -0.441 0.000 2.475 255 Q HA -0.237 4.095 4.340 -0.012 0.000 0.280 255 Q C -1.124 174.738 176.000 -0.229 0.000 1.234 255 Q CA 0.931 56.548 55.803 -0.309 0.000 0.873 255 Q CB -0.997 27.703 28.738 -0.063 0.000 1.256 255 Q HN 0.480 8.750 8.270 0.000 0.000 0.475 256 Q N -1.049 118.495 119.800 -0.427 0.000 2.553 256 Q HA 0.541 4.873 4.340 -0.012 0.000 0.293 256 Q C -1.275 174.719 176.000 -0.010 0.000 1.038 256 Q CA -0.839 54.916 55.803 -0.080 0.000 0.777 256 Q CB 1.510 30.268 28.738 0.033 0.000 1.487 256 Q HN 0.180 8.450 8.270 0.000 0.000 0.426 257 Y N 0.697 121.258 120.300 0.434 0.000 2.331 257 Y HA 0.260 4.803 4.550 -0.012 0.000 0.338 257 Y C 0.080 176.176 175.900 0.327 0.000 0.992 257 Y CA -0.845 57.504 58.100 0.415 0.000 1.121 257 Y CB 1.179 39.858 38.460 0.364 0.000 1.184 257 Y HN 0.462 8.742 8.280 0.000 0.000 0.469 258 N N 4.083 122.922 118.700 0.231 0.000 2.437 258 N HA 0.158 4.891 4.740 -0.012 0.000 0.243 258 N C -0.030 175.473 175.510 -0.012 0.000 1.041 258 N CA 0.032 52.918 53.050 -0.273 0.000 0.940 258 N CB 0.592 38.652 38.487 -0.712 0.000 1.133 258 N HN 0.803 9.183 8.380 0.000 0.000 0.506 259 L N 2.022 123.214 121.223 -0.051 0.000 2.599 259 L HA 0.077 4.410 4.340 -0.012 0.000 0.230 259 L C 0.775 177.617 176.870 -0.047 0.000 1.141 259 L CA 0.518 55.327 54.840 -0.052 0.000 0.877 259 L CB -0.368 41.603 42.059 -0.146 0.000 1.009 259 L HN 0.602 8.832 8.230 0.000 0.000 0.447 260 T N -4.597 109.911 114.554 -0.076 0.000 3.533 260 T HA 0.104 4.447 4.350 -0.012 0.000 0.275 260 T C 0.831 175.465 174.700 -0.109 0.000 1.000 260 T CA -0.581 61.453 62.100 -0.110 0.000 1.015 260 T CB -0.669 68.117 68.868 -0.138 0.000 1.153 260 T HN 0.231 8.471 8.240 0.000 0.000 0.504 261 F N 1.307 121.170 119.950 -0.146 0.000 2.451 261 F HA 0.335 4.854 4.527 -0.012 0.000 0.299 261 F C 1.446 177.213 175.800 -0.056 0.000 1.101 261 F CA 0.210 58.143 58.000 -0.111 0.000 1.436 261 F CB -0.337 38.629 39.000 -0.056 0.000 1.074 261 F HN 0.110 8.410 8.300 0.000 0.000 0.553 262 K N 0.548 120.528 120.400 -0.700 0.000 2.387 262 K HA 0.247 4.560 4.320 -0.012 0.000 0.198 262 K C -0.057 176.389 176.600 -0.256 0.000 1.022 262 K CA -0.066 55.910 56.287 -0.519 0.000 1.128 262 K CB 0.340 32.462 32.500 -0.630 0.000 0.853 262 K HN 0.132 8.382 8.250 0.000 0.000 0.523 263 S N 0.743 116.324 115.700 -0.197 0.000 2.607 263 S HA 0.269 4.732 4.470 -0.012 0.000 0.303 263 S C -1.906 172.640 174.600 -0.090 0.000 1.086 263 S CA -1.273 56.851 58.200 -0.128 0.000 0.995 263 S CB 1.804 64.930 63.200 -0.123 0.000 1.084 263 S HN -0.115 8.195 8.310 0.000 0.000 0.507 264 P HA -0.039 4.381 4.420 0.000 0.000 0.214 264 P C -0.021 177.254 177.300 -0.041 0.000 1.163 264 P CA 1.032 64.107 63.100 -0.042 0.000 0.883 264 P CB 0.176 31.857 31.700 -0.031 0.000 0.788 265 E N -0.094 120.074 120.200 -0.052 0.000 2.301 265 E HA 0.224 4.567 4.350 -0.012 0.000 0.275 265 E C -2.268 174.262 176.600 -0.116 0.000 1.030 265 E CA -2.163 54.202 56.400 -0.058 0.000 0.852 265 E CB 0.653 30.328 29.700 -0.043 0.000 1.060 265 E HN 0.101 8.461 8.360 0.000 0.000 0.401 266 P HA 0.196 4.616 4.420 0.000 0.000 0.284 266 P C -1.044 176.011 177.300 -0.408 0.000 1.258 266 P CA -0.569 62.293 63.100 -0.396 0.000 0.824 266 P CB 1.127 32.504 31.700 -0.539 0.000 1.038 267 T N 2.259 116.521 114.554 -0.488 0.000 3.060 267 T HA 0.263 4.605 4.350 -0.012 0.000 0.367 267 T C -0.820 173.724 174.700 -0.259 0.000 1.229 267 T CA -0.223 61.713 62.100 -0.272 0.000 1.104 267 T CB -0.313 68.469 68.868 -0.143 0.000 1.083 267 T HN 0.277 8.517 8.240 0.000 0.000 0.524 268 W N 2.387 123.713 121.300 0.043 0.000 2.272 268 W HA 0.582 5.235 4.660 -0.011 0.000 0.318 268 W C -0.016 176.540 176.519 0.061 0.000 1.255 268 W CA -0.657 56.719 57.345 0.052 0.000 1.200 268 W CB 0.770 30.247 29.460 0.028 0.000 1.170 268 W HN 0.218 8.398 8.180 0.000 0.000 0.549 269 V N 3.266 123.413 119.914 0.388 0.000 2.733 269 V HA 0.322 4.435 4.120 -0.012 0.000 0.306 269 V C 0.272 176.567 176.094 0.335 0.000 1.084 269 V CA -0.843 61.615 62.300 0.264 0.000 0.905 269 V CB 2.183 34.107 31.823 0.167 0.000 1.010 269 V HN 0.607 8.797 8.190 0.000 0.000 0.424 270 T N 2.610 117.302 114.554 0.230 0.000 2.788 270 T HA 0.504 4.847 4.350 -0.012 0.000 0.287 270 T C 1.315 176.184 174.700 0.281 0.000 1.007 270 T CA 0.267 62.512 62.100 0.242 0.000 1.005 270 T CB 1.562 70.510 68.868 0.135 0.000 1.012 270 T HN 0.937 9.177 8.240 0.000 0.000 0.530 271 A N 0.191 123.207 122.820 0.326 0.000 1.968 271 A HA 0.021 4.334 4.320 -0.012 0.000 0.217 271 A C 2.218 179.888 177.584 0.144 0.000 1.169 271 A CA 1.470 53.686 52.037 0.299 0.000 0.638 271 A CB -1.007 18.147 19.000 0.257 0.000 0.812 271 A HN 0.901 9.051 8.150 0.000 0.000 0.446 272 E N 0.407 120.658 120.200 0.085 0.000 2.204 272 E HA -0.159 4.184 4.350 -0.012 0.000 0.194 272 E C 1.933 178.529 176.600 -0.007 0.000 0.989 272 E CA 1.451 57.871 56.400 0.033 0.000 0.824 272 E CB -0.358 29.358 29.700 0.026 0.000 0.756 272 E HN 0.719 9.079 8.360 0.000 0.000 0.477 273 Q N -0.872 118.925 119.800 -0.005 0.000 2.311 273 Q HA -0.012 4.321 4.340 -0.012 0.000 0.203 273 Q C 1.584 177.476 176.000 -0.180 0.000 0.954 273 Q CA 0.391 56.158 55.803 -0.060 0.000 0.885 273 Q CB 0.120 28.850 28.738 -0.013 0.000 0.963 273 Q HN 0.205 8.475 8.270 0.000 0.000 0.471 274 L N 0.443 121.543 121.223 -0.205 0.000 2.072 274 L HA -0.089 4.243 4.340 -0.012 0.000 0.205 274 L C 2.266 178.627 176.870 -0.848 0.000 1.079 274 L CA 1.666 56.177 54.840 -0.549 0.000 0.752 274 L CB -0.624 41.172 42.059 -0.438 0.000 0.906 274 L HN 0.112 8.342 8.230 0.000 0.000 0.436 275 R N -0.415 119.901 120.500 -0.307 0.000 2.120 275 R HA -0.190 4.143 4.340 -0.012 0.000 0.234 275 R C 2.169 178.357 176.300 -0.187 0.000 1.123 275 R CA 1.449 57.472 56.100 -0.128 0.000 0.975 275 R CB -0.058 30.293 30.300 0.084 0.000 0.866 275 R HN 0.421 8.691 8.270 0.000 0.000 0.446 276 E N -0.638 119.446 120.200 -0.193 0.000 2.058 276 E HA -0.171 4.171 4.350 -0.012 0.000 0.194 276 E C 1.499 177.968 176.600 -0.219 0.000 0.997 276 E CA 1.986 58.296 56.400 -0.149 0.000 0.801 276 E CB 0.039 29.672 29.700 -0.112 0.000 0.746 276 E HN 0.330 8.690 8.360 0.000 0.000 0.450 277 T N 0.100 114.412 114.554 -0.404 0.000 2.720 277 T HA -0.183 4.160 4.350 -0.012 0.000 0.268 277 T C 1.452 175.692 174.700 -0.768 0.000 1.037 277 T CA 1.526 63.268 62.100 -0.596 0.000 1.144 277 T CB -0.390 68.011 68.868 -0.777 0.000 0.864 277 T HN 0.250 8.490 8.240 0.000 0.000 0.444 278 Y N 0.645 120.587 120.300 -0.597 0.000 2.163 278 Y HA -0.044 4.498 4.550 -0.012 0.000 0.288 278 Y C 2.962 178.800 175.900 -0.103 0.000 1.136 278 Y CA -0.698 57.133 58.100 -0.449 0.000 1.147 278 Y CB -1.455 36.797 38.460 -0.348 0.000 0.987 278 Y HN 0.247 8.527 8.280 0.000 0.000 0.509 279 C N 0.398 119.736 119.300 0.063 0.000 2.411 279 C HA -0.182 4.270 4.460 -0.012 0.000 0.279 279 C C 2.797 177.877 174.990 0.149 0.000 1.288 279 C CA 1.426 60.503 59.018 0.099 0.000 1.764 279 C CB -0.948 26.823 27.740 0.052 0.000 1.974 279 C HN 0.573 8.803 8.230 0.000 0.000 0.498 280 K N -0.762 119.707 120.400 0.115 0.000 2.103 280 K HA -0.133 4.180 4.320 -0.012 0.000 0.204 280 K C 1.959 178.794 176.600 0.392 0.000 1.052 280 K CA 1.322 57.732 56.287 0.205 0.000 0.945 280 K CB -0.270 32.307 32.500 0.129 0.000 0.722 280 K HN 0.455 8.705 8.250 0.000 0.000 0.443 281 W N 1.106 122.539 121.300 0.221 0.000 2.317 281 W HA -0.107 4.546 4.660 -0.012 0.000 0.318 281 W C 2.481 179.150 176.519 0.249 0.000 1.227 281 W CA 1.421 58.936 57.345 0.283 0.000 1.269 281 W CB -1.153 28.435 29.460 0.212 0.000 1.155 281 W HN 0.294 8.474 8.180 0.000 0.000 0.484 282 A N -1.339 121.735 122.820 0.423 0.000 2.015 282 A HA -0.207 4.105 4.320 -0.012 0.000 0.219 282 A C 1.971 179.688 177.584 0.221 0.000 1.163 282 A CA 1.811 54.009 52.037 0.268 0.000 0.646 282 A CB -1.167 17.957 19.000 0.207 0.000 0.806 282 A HN 0.540 8.690 8.150 0.000 0.000 0.448 283 H N -1.108 118.045 119.070 0.138 0.000 2.482 283 H HA -0.045 4.504 4.556 -0.012 0.000 0.286 283 H C 0.685 176.031 175.328 0.030 0.000 1.017 283 H CA 1.295 57.388 56.048 0.074 0.000 1.322 283 H CB 0.209 30.006 29.762 0.058 0.000 1.426 283 H HN 0.362 8.642 8.280 0.000 0.000 0.546 284 D N -0.540 119.812 120.400 -0.081 0.000 2.271 284 D HA 0.050 4.683 4.640 -0.012 0.000 0.206 284 D C -0.358 175.564 176.300 -0.631 0.000 0.967 284 D CA 0.665 54.417 54.000 -0.415 0.000 0.867 284 D CB 0.289 40.880 40.800 -0.349 0.000 0.960 284 D HN 0.289 8.659 8.370 0.000 0.000 0.509 285 Y N -0.953 119.337 120.300 -0.017 0.000 2.576 285 Y HA 0.353 4.895 4.550 -0.013 0.000 0.346 285 Y C -2.016 173.869 175.900 -0.025 0.000 1.018 285 Y CA -2.548 55.538 58.100 -0.025 0.000 1.050 285 Y CB 1.525 39.964 38.460 -0.035 0.000 1.280 285 Y HN -0.280 8.000 8.280 0.000 0.000 0.474 286 P HA 0.157 4.577 4.420 0.000 0.000 0.231 286 P C -0.462 176.834 177.300 -0.007 0.000 1.756 286 P CA 0.602 63.725 63.100 0.040 0.000 0.990 286 P CB -0.557 31.165 31.700 0.035 0.000 1.973 287 I N 2.155 122.739 120.570 0.024 0.000 2.294 287 I HA -0.008 4.154 4.170 -0.012 0.000 0.295 287 I C 1.769 177.832 176.117 -0.090 0.000 1.098 287 I CA -0.296 60.983 61.300 -0.035 0.000 1.277 287 I CB 1.280 39.309 38.000 0.048 0.000 1.434 287 I HN 0.012 8.222 8.210 0.000 0.000 0.498 288 V N 1.645 121.408 119.914 -0.251 0.000 3.471 288 V HA 0.213 4.326 4.120 -0.012 0.000 0.258 288 V C 0.724 176.684 176.094 -0.223 0.000 1.192 288 V CA 0.293 62.370 62.300 -0.371 0.000 1.116 288 V CB 0.454 31.662 31.823 -1.026 0.000 0.792 288 V HN 0.578 8.768 8.190 0.000 0.000 0.459 289 S N -0.305 115.276 115.700 -0.198 0.000 2.548 289 S HA 0.789 5.252 4.470 -0.012 0.000 0.276 289 S C -1.147 173.386 174.600 -0.112 0.000 1.129 289 S CA -0.553 57.600 58.200 -0.079 0.000 0.931 289 S CB 1.641 64.826 63.200 -0.024 0.000 1.068 289 S HN 0.344 8.654 8.310 0.000 0.000 0.480 290 I N 3.302 123.798 120.570 -0.124 0.000 2.500 290 I HA 0.367 4.530 4.170 -0.012 0.000 0.286 290 I C -0.265 175.711 176.117 -0.233 0.000 1.063 290 I CA -0.421 60.751 61.300 -0.213 0.000 1.062 290 I CB 1.858 39.676 38.000 -0.304 0.000 1.223 290 I HN 0.593 8.803 8.210 0.000 0.000 0.435 291 E N 5.926 125.994 120.200 -0.219 0.000 2.216 291 E HA 0.141 4.484 4.350 -0.012 0.000 0.279 291 E C -0.692 175.764 176.600 -0.239 0.000 0.997 291 E CA -0.395 55.907 56.400 -0.163 0.000 0.817 291 E CB 0.845 30.487 29.700 -0.096 0.000 1.096 291 E HN 0.484 8.844 8.360 0.000 0.000 0.393 292 D N 4.093 124.423 120.400 -0.117 0.000 2.697 292 D HA -0.142 4.490 4.640 -0.012 0.000 0.235 292 D C -1.824 174.187 176.300 -0.481 0.000 1.167 292 D CA 0.430 54.371 54.000 -0.098 0.000 0.656 292 D CB -0.444 40.337 40.800 -0.032 0.000 1.025 292 D HN 0.472 8.842 8.370 0.000 0.000 0.419 293 P HA -0.131 4.289 4.420 0.000 0.000 0.226 293 P C 0.136 176.703 177.300 -1.222 0.000 1.153 293 P CA 1.179 63.554 63.100 -1.208 0.000 0.777 293 P CB 0.290 31.063 31.700 -1.544 0.000 0.794 294 Y N -0.930 118.983 120.300 -0.645 0.000 2.665 294 Y HA 0.391 4.933 4.550 -0.012 0.000 0.336 294 Y C 0.414 176.303 175.900 -0.018 0.000 1.085 294 Y CA -1.690 56.222 58.100 -0.313 0.000 1.096 294 Y CB -0.138 38.121 38.460 -0.335 0.000 1.301 294 Y HN -0.318 7.962 8.280 0.000 0.000 0.493 295 D N 0.848 121.419 120.400 0.286 0.000 2.506 295 D HA -0.056 4.576 4.640 -0.012 0.000 0.234 295 D C 1.135 177.507 176.300 0.121 0.000 1.143 295 D CA 0.396 54.410 54.000 0.023 0.000 0.871 295 D CB 0.840 41.256 40.800 -0.640 0.000 1.190 295 D HN 0.617 8.987 8.370 0.000 0.000 0.459 296 Q N 1.733 121.580 119.800 0.079 0.000 2.297 296 Q HA -0.212 4.121 4.340 -0.012 0.000 0.208 296 Q C 0.150 176.117 176.000 -0.055 0.000 0.981 296 Q CA 1.255 57.083 55.803 0.041 0.000 0.876 296 Q CB 0.110 28.901 28.738 0.089 0.000 0.921 296 Q HN 0.484 8.754 8.270 0.000 0.000 0.446 297 D N 0.604 121.006 120.400 0.003 0.000 2.398 297 D HA 0.028 4.661 4.640 -0.012 0.000 0.210 297 D C -0.476 175.850 176.300 0.044 0.000 1.094 297 D CA 0.115 54.145 54.000 0.049 0.000 0.839 297 D CB 0.197 41.112 40.800 0.193 0.000 0.963 297 D HN 0.185 8.555 8.370 0.000 0.000 0.506 298 D N 0.096 120.493 120.400 -0.005 0.000 2.619 298 D HA 0.019 4.652 4.640 -0.012 0.000 0.224 298 D C 0.893 177.272 176.300 0.132 0.000 1.133 298 D CA -0.342 53.694 54.000 0.060 0.000 1.017 298 D CB -0.552 40.250 40.800 0.003 0.000 1.077 298 D HN -0.046 8.324 8.370 0.000 0.000 0.503 299 F N 1.225 121.233 119.950 0.097 0.000 2.202 299 F HA -0.150 4.370 4.527 -0.012 0.000 0.301 299 F C 2.456 178.311 175.800 0.092 0.000 1.082 299 F CA 1.135 59.179 58.000 0.073 0.000 1.313 299 F CB -0.169 38.829 39.000 -0.002 0.000 1.024 299 F HN 0.397 8.697 8.300 0.000 0.000 0.495 300 A N 0.028 122.968 122.820 0.200 0.000 1.897 300 A HA 0.005 4.318 4.320 -0.012 0.000 0.215 300 A C 2.554 180.130 177.584 -0.012 0.000 1.181 300 A CA 1.583 53.673 52.037 0.088 0.000 0.620 300 A CB -1.509 17.518 19.000 0.044 0.000 0.821 300 A HN 0.381 8.531 8.150 0.000 0.000 0.443 301 G N -1.313 107.392 108.800 -0.159 0.000 2.402 301 G HA2 -0.143 3.809 3.960 -0.012 0.000 0.216 301 G HA3 -0.143 3.809 3.960 -0.012 0.000 0.216 301 G C 1.395 176.145 174.900 -0.249 0.000 1.162 301 G CA 0.988 45.736 45.100 -0.585 0.000 0.777 301 G HN 0.375 8.665 8.290 0.000 0.000 0.539 302 F N 1.860 121.773 119.950 -0.062 0.000 2.046 302 F HA -0.059 4.461 4.527 -0.012 0.000 0.297 302 F C 3.108 178.929 175.800 0.035 0.000 1.123 302 F CA 1.506 59.548 58.000 0.071 0.000 1.199 302 F CB -0.441 38.533 39.000 -0.043 0.000 0.972 302 F HN 0.241 8.541 8.300 0.000 0.000 0.474 303 A N 0.167 123.130 122.820 0.238 0.000 1.873 303 A HA -0.186 4.127 4.320 -0.012 0.000 0.218 303 A C 2.539 180.178 177.584 0.091 0.000 1.193 303 A CA 2.132 54.254 52.037 0.142 0.000 0.629 303 A CB -1.748 17.328 19.000 0.128 0.000 0.826 303 A HN 0.464 8.614 8.150 0.000 0.000 0.447 304 G N -0.348 108.489 108.800 0.063 0.000 2.491 304 G HA2 -0.255 3.697 3.960 -0.012 0.000 0.218 304 G HA3 -0.255 3.697 3.960 -0.012 0.000 0.218 304 G C 1.474 176.414 174.900 0.067 0.000 1.180 304 G CA 1.390 46.516 45.100 0.044 0.000 0.774 304 G HN 0.491 8.781 8.290 0.000 0.000 0.562 305 I N 0.876 121.508 120.570 0.104 0.000 2.676 305 I HA 0.001 4.164 4.170 -0.012 0.000 0.259 305 I C 2.718 178.865 176.117 0.051 0.000 1.194 305 I CA 1.315 62.678 61.300 0.106 0.000 1.473 305 I CB -0.215 37.886 38.000 0.168 0.000 1.096 305 I HN 0.088 8.298 8.210 0.000 0.000 0.443 306 T N -0.225 114.359 114.554 0.051 0.000 2.821 306 T HA -0.173 4.170 4.350 -0.012 0.000 0.267 306 T C 1.753 176.471 174.700 0.030 0.000 1.046 306 T CA 1.687 63.802 62.100 0.025 0.000 1.139 306 T CB -0.071 68.811 68.868 0.024 0.000 0.871 306 T HN 0.390 8.630 8.240 0.000 0.000 0.454 307 E N 1.332 121.557 120.200 0.041 0.000 2.076 307 E HA 0.140 4.483 4.350 -0.012 0.000 0.190 307 E C 2.201 178.826 176.600 0.041 0.000 0.979 307 E CA 1.001 57.425 56.400 0.040 0.000 0.807 307 E CB -0.452 29.272 29.700 0.040 0.000 0.761 307 E HN 0.357 8.717 8.360 0.000 0.000 0.454 308 A N 0.311 123.158 122.820 0.045 0.000 2.070 308 A HA -0.054 4.259 4.320 -0.012 0.000 0.220 308 A C 1.880 179.494 177.584 0.050 0.000 1.159 308 A CA 1.084 53.148 52.037 0.046 0.000 0.656 308 A CB -0.308 18.722 19.000 0.050 0.000 0.800 308 A HN 0.367 8.517 8.150 0.000 0.000 0.453 309 L N -1.419 119.834 121.223 0.050 0.000 2.808 309 L HA 0.157 4.490 4.340 -0.012 0.000 0.246 309 L C 0.584 177.486 176.870 0.054 0.000 1.153 309 L CA -0.309 54.564 54.840 0.054 0.000 0.956 309 L CB 0.058 42.146 42.059 0.048 0.000 1.270 309 L HN 0.209 8.439 8.230 0.000 0.000 0.528 310 K N 0.829 121.258 120.400 0.049 0.000 2.530 310 K HA 0.025 4.338 4.320 -0.012 0.000 0.280 310 K C 1.315 177.954 176.600 0.065 0.000 1.004 310 K CA 1.188 57.506 56.287 0.052 0.000 1.071 310 K CB 0.308 32.835 32.500 0.046 0.000 0.876 310 K HN 0.293 8.543 8.250 0.000 0.000 0.487 311 G N 3.597 112.445 108.800 0.080 0.000 2.396 311 G HA2 -0.343 3.610 3.960 -0.012 0.000 0.242 311 G HA3 -0.343 3.610 3.960 -0.012 0.000 0.242 311 G C 0.935 175.901 174.900 0.109 0.000 1.069 311 G CA 0.575 45.731 45.100 0.094 0.000 0.633 311 G HN 0.672 8.962 8.290 0.000 0.000 0.517 312 K N -0.042 120.415 120.400 0.095 0.000 2.128 312 K HA 0.160 4.472 4.320 -0.012 0.000 0.202 312 K C 0.284 176.939 176.600 0.092 0.000 1.050 312 K CA 1.433 57.775 56.287 0.093 0.000 0.966 312 K CB 0.302 32.852 32.500 0.085 0.000 0.759 312 K HN 0.394 8.644 8.250 0.000 0.000 0.454 313 T N 2.212 116.820 114.554 0.090 0.000 3.293 313 T HA 0.086 4.429 4.350 -0.012 0.000 0.320 313 T C -1.000 173.741 174.700 0.068 0.000 0.995 313 T CA -0.802 61.337 62.100 0.065 0.000 1.041 313 T CB 1.935 70.827 68.868 0.040 0.000 1.058 313 T HN 0.162 8.402 8.240 0.000 0.000 0.453 314 Q N 3.354 123.218 119.800 0.107 0.000 2.352 314 Q HA 0.521 4.853 4.340 -0.012 0.000 0.260 314 Q C -0.660 175.330 176.000 -0.016 0.000 0.976 314 Q CA -0.529 55.312 55.803 0.065 0.000 0.881 314 Q CB 0.744 29.557 28.738 0.124 0.000 1.235 314 Q HN 0.408 8.678 8.270 0.000 0.000 0.419 315 I N 3.354 123.885 120.570 -0.066 0.000 2.362 315 I HA 0.263 4.425 4.170 -0.012 0.000 0.289 315 I C -0.616 175.446 176.117 -0.092 0.000 0.994 315 I CA -0.914 60.332 61.300 -0.090 0.000 1.158 315 I CB 1.487 39.445 38.000 -0.070 0.000 1.315 315 I HN 0.554 8.764 8.210 0.000 0.000 0.451 316 V N 5.412 125.293 119.914 -0.054 0.000 2.347 316 V HA 0.498 4.611 4.120 -0.012 0.000 0.280 316 V C 0.875 176.994 176.094 0.042 0.000 1.021 316 V CA -0.771 61.505 62.300 -0.040 0.000 0.847 316 V CB 1.297 33.102 31.823 -0.030 0.000 0.990 316 V HN 0.899 9.089 8.190 0.000 0.000 0.444 317 G N 2.308 111.087 108.800 -0.036 0.000 2.361 317 G HA2 0.354 4.307 3.960 -0.012 0.000 0.260 317 G HA3 0.354 4.307 3.960 -0.012 0.000 0.260 317 G C 0.076 174.980 174.900 0.007 0.000 1.261 317 G CA 0.136 45.191 45.100 -0.074 0.000 0.897 317 G HN 0.835 9.125 8.290 0.000 0.000 0.499 318 D N 0.465 120.875 120.400 0.017 0.000 3.163 318 D HA -0.022 4.611 4.640 -0.012 0.000 0.228 318 D C 1.428 177.746 176.300 0.030 0.000 1.521 318 D CA 0.128 54.149 54.000 0.034 0.000 1.334 318 D CB 0.128 40.952 40.800 0.040 0.000 1.126 318 D HN 0.180 8.550 8.370 0.000 0.000 0.304 319 D N 0.346 120.768 120.400 0.037 0.000 2.219 319 D HA -0.072 4.560 4.640 -0.012 0.000 0.205 319 D C 2.079 178.391 176.300 0.021 0.000 0.970 319 D CA 0.291 54.320 54.000 0.048 0.000 0.851 319 D CB -0.011 40.823 40.800 0.057 0.000 0.943 319 D HN 0.194 8.564 8.370 0.000 0.000 0.488 320 L N 0.866 122.025 121.223 -0.106 0.000 1.994 320 L HA -0.168 4.165 4.340 -0.012 0.000 0.208 320 L C 2.259 179.022 176.870 -0.178 0.000 1.071 320 L CA 2.151 56.785 54.840 -0.343 0.000 0.745 320 L CB -0.791 40.749 42.059 -0.864 0.000 0.892 320 L HN 0.104 8.334 8.230 0.000 0.000 0.431 321 T N -3.746 110.762 114.554 -0.077 0.000 3.040 321 T HA 0.076 4.419 4.350 -0.012 0.000 0.252 321 T C 1.079 175.808 174.700 0.049 0.000 1.064 321 T CA 0.450 62.566 62.100 0.027 0.000 1.110 321 T CB -0.764 68.174 68.868 0.117 0.000 0.921 321 T HN 0.598 8.838 8.240 0.000 0.000 0.480 322 V N 0.670 120.617 119.914 0.056 0.000 4.842 322 V HA -0.274 3.839 4.120 -0.012 0.000 0.241 322 V C 0.484 176.610 176.094 0.053 0.000 0.638 322 V CA 0.871 63.212 62.300 0.068 0.000 0.729 322 V CB -3.506 28.381 31.823 0.106 0.000 0.619 322 V HN 0.747 8.937 8.190 0.000 0.000 0.925 323 T N -1.399 113.184 114.554 0.048 0.000 4.040 323 T HA -0.270 4.073 4.350 -0.012 0.000 0.341 323 T C 0.254 174.962 174.700 0.014 0.000 0.758 323 T CA 1.576 63.695 62.100 0.032 0.000 1.893 323 T CB -1.592 67.294 68.868 0.030 0.000 1.886 323 T HN 1.314 9.554 8.240 0.000 0.000 0.833 324 N N 0.888 119.596 118.700 0.013 0.000 2.407 324 N HA 0.259 4.991 4.740 -0.012 0.000 0.277 324 N C 1.271 176.766 175.510 -0.024 0.000 0.995 324 N CA 0.311 53.360 53.050 -0.000 0.000 0.903 324 N CB 1.833 40.329 38.487 0.016 0.000 1.218 324 N HN 0.311 8.691 8.380 0.000 0.000 0.487 325 T N 0.743 115.271 114.554 -0.043 0.000 2.849 325 T HA -0.123 4.219 4.350 -0.012 0.000 0.270 325 T C 1.131 175.793 174.700 -0.063 0.000 1.066 325 T CA 1.055 63.113 62.100 -0.069 0.000 1.130 325 T CB 0.104 68.928 68.868 -0.073 0.000 0.864 325 T HN 0.381 8.621 8.240 0.000 0.000 0.481 326 E N 1.224 121.396 120.200 -0.048 0.000 2.047 326 E HA 0.012 4.354 4.350 -0.012 0.000 0.191 326 E C 2.611 179.179 176.600 -0.054 0.000 0.987 326 E CA 0.816 57.184 56.400 -0.054 0.000 0.799 326 E CB -0.288 29.382 29.700 -0.051 0.000 0.752 326 E HN 0.422 8.782 8.360 0.000 0.000 0.449 327 R N 0.304 120.781 120.500 -0.037 0.000 2.115 327 R HA 0.017 4.350 4.340 -0.012 0.000 0.230 327 R C 2.547 178.890 176.300 0.072 0.000 1.111 327 R CA 0.515 56.617 56.100 0.003 0.000 0.976 327 R CB -0.671 29.626 30.300 -0.005 0.000 0.870 327 R HN 0.267 8.537 8.270 0.000 0.000 0.445 328 I N 1.064 121.651 120.570 0.028 0.000 2.179 328 I HA -0.284 3.878 4.170 -0.012 0.000 0.242 328 I C 2.297 178.411 176.117 -0.005 0.000 1.088 328 I CA 1.465 62.772 61.300 0.012 0.000 1.357 328 I CB -0.205 37.698 38.000 -0.162 0.000 1.051 328 I HN 0.089 8.299 8.210 0.000 0.000 0.409 329 K N 0.175 120.544 120.400 -0.052 0.000 2.103 329 K HA -0.174 4.139 4.320 -0.012 0.000 0.207 329 K C 2.136 178.716 176.600 -0.033 0.000 1.048 329 K CA 1.544 57.797 56.287 -0.057 0.000 0.930 329 K CB -0.156 32.300 32.500 -0.073 0.000 0.716 329 K HN 0.285 8.535 8.250 0.000 0.000 0.444 330 M N -0.158 119.412 119.600 -0.050 0.000 2.175 330 M HA -0.105 4.368 4.480 -0.012 0.000 0.264 330 M C 2.290 178.577 176.300 -0.022 0.000 1.063 330 M CA 1.385 56.592 55.300 -0.156 0.000 1.119 330 M CB -0.115 32.275 32.600 -0.350 0.000 1.377 330 M HN 0.179 8.469 8.290 0.000 0.000 0.415 331 A N 0.407 123.378 122.820 0.253 0.000 1.969 331 A HA -0.078 4.235 4.320 -0.012 0.000 0.218 331 A C 2.066 179.875 177.584 0.375 0.000 1.169 331 A CA 1.203 53.493 52.037 0.422 0.000 0.635 331 A CB -0.771 18.521 19.000 0.486 0.000 0.810 331 A HN 0.438 8.588 8.150 0.000 0.000 0.445 332 I N -0.743 120.022 120.570 0.326 0.000 2.163 332 I HA -0.222 3.941 4.170 -0.012 0.000 0.240 332 I C 2.601 178.816 176.117 0.163 0.000 1.081 332 I CA 1.585 63.059 61.300 0.291 0.000 1.353 332 I CB -0.383 37.679 38.000 0.103 0.000 1.054 332 I HN 0.462 8.672 8.210 0.000 0.000 0.407 333 E N 1.769 122.013 120.200 0.074 0.000 2.130 333 E HA -0.244 4.099 4.350 -0.012 0.000 0.196 333 E C 1.479 178.098 176.600 0.031 0.000 0.998 333 E CA 1.342 57.755 56.400 0.022 0.000 0.806 333 E CB 0.120 29.796 29.700 -0.039 0.000 0.738 333 E HN 0.477 8.837 8.360 0.000 0.000 0.459 334 K N 0.265 120.696 120.400 0.052 0.000 2.387 334 K HA 0.085 4.398 4.320 -0.012 0.000 0.198 334 K C -0.038 176.632 176.600 0.116 0.000 1.022 334 K CA -0.106 56.224 56.287 0.070 0.000 1.128 334 K CB 0.379 32.922 32.500 0.072 0.000 0.853 334 K HN 0.024 8.274 8.250 0.000 0.000 0.523 335 K N 0.362 120.840 120.400 0.130 0.000 3.078 335 K HA -0.261 4.052 4.320 -0.012 0.000 0.261 335 K C 0.893 177.553 176.600 0.101 0.000 0.947 335 K CA 0.263 56.622 56.287 0.120 0.000 0.702 335 K CB -1.434 31.118 32.500 0.088 0.000 1.318 335 K HN 0.368 8.618 8.250 0.000 0.000 0.473 336 A N -0.293 122.613 122.820 0.143 0.000 1.930 336 A HA -0.085 4.228 4.320 -0.012 0.000 0.217 336 A C 1.212 178.832 177.584 0.061 0.000 1.175 336 A CA 1.413 53.539 52.037 0.149 0.000 0.627 336 A CB -0.300 18.812 19.000 0.186 0.000 0.815 336 A HN 0.808 8.958 8.150 0.000 0.000 0.443 337 C N -3.880 115.316 119.300 -0.173 0.000 3.336 337 C HA 0.740 5.193 4.460 -0.012 0.000 0.339 337 C C -0.321 174.154 174.990 -0.860 0.000 1.468 337 C CA -0.269 58.523 59.018 -0.376 0.000 1.287 337 C CB 1.311 28.808 27.740 -0.404 0.000 1.682 337 C HN 0.512 8.742 8.230 0.000 0.000 0.451 338 N N -0.290 117.905 118.700 -0.841 0.000 2.167 338 N HA 0.351 5.083 4.740 -0.012 0.000 0.234 338 N C -0.598 174.563 175.510 -0.582 0.000 1.312 338 N CA 0.234 52.752 53.050 -0.887 0.000 0.861 338 N CB 0.628 38.928 38.487 -0.312 0.000 1.217 338 N HN 0.925 9.305 8.380 0.000 0.000 0.504 339 S N 0.245 115.598 115.700 -0.578 0.000 2.546 339 S HA 0.587 5.050 4.470 -0.012 0.000 0.272 339 S C -2.048 172.570 174.600 0.031 0.000 1.140 339 S CA -0.802 57.332 58.200 -0.109 0.000 0.920 339 S CB 0.824 63.967 63.200 -0.095 0.000 1.083 339 S HN 0.250 8.560 8.310 0.000 0.000 0.476 340 L N 4.726 126.129 121.223 0.300 0.000 2.272 340 L HA 0.680 5.013 4.340 -0.012 0.000 0.289 340 L C -0.956 175.982 176.870 0.115 0.000 1.032 340 L CA -0.542 54.470 54.840 0.286 0.000 0.810 340 L CB 1.191 43.446 42.059 0.327 0.000 1.205 340 L HN 0.723 8.953 8.230 0.000 0.000 0.422 341 L N 5.869 127.142 121.223 0.083 0.000 2.325 341 L HA 0.335 4.668 4.340 -0.012 0.000 0.284 341 L C -0.572 176.336 176.870 0.063 0.000 1.089 341 L CA 0.392 55.267 54.840 0.058 0.000 0.836 341 L CB 0.587 42.677 42.059 0.051 0.000 1.184 341 L HN 0.682 8.912 8.230 0.000 0.000 0.444 342 L N 6.176 127.430 121.223 0.052 0.000 2.261 342 L HA 0.389 4.722 4.340 -0.012 0.000 0.289 342 L C -0.509 176.392 176.870 0.052 0.000 1.059 342 L CA -0.191 54.678 54.840 0.047 0.000 0.816 342 L CB 0.094 42.175 42.059 0.037 0.000 1.191 342 L HN 0.572 8.802 8.230 0.000 0.000 0.431 343 K N 6.257 126.686 120.400 0.048 0.000 2.521 343 K HA 0.238 4.551 4.320 -0.012 0.000 0.248 343 K C 1.180 177.797 176.600 0.028 0.000 0.978 343 K CA -0.355 55.959 56.287 0.046 0.000 0.947 343 K CB 1.325 33.853 32.500 0.046 0.000 1.165 343 K HN 0.688 8.938 8.250 0.000 0.000 0.445 344 I N 0.314 120.897 120.570 0.022 0.000 2.300 344 I HA -0.335 3.828 4.170 -0.012 0.000 0.252 344 I C 1.577 177.682 176.117 -0.021 0.000 1.119 344 I CA 1.596 62.892 61.300 -0.007 0.000 1.384 344 I CB -0.233 37.741 38.000 -0.043 0.000 1.062 344 I HN 0.551 8.761 8.210 0.000 0.000 0.426 345 N N 1.322 120.013 118.700 -0.016 0.000 2.398 345 N HA -0.110 4.623 4.740 -0.012 0.000 0.188 345 N C 1.512 177.021 175.510 -0.002 0.000 1.122 345 N CA 0.488 53.528 53.050 -0.018 0.000 0.866 345 N CB -0.167 38.306 38.487 -0.023 0.000 0.970 345 N HN 0.634 9.014 8.380 0.000 0.000 0.462 346 Q N -0.366 119.440 119.800 0.011 0.000 2.311 346 Q HA 0.067 4.400 4.340 -0.012 0.000 0.203 346 Q C 1.099 177.112 176.000 0.022 0.000 0.954 346 Q CA 0.762 56.579 55.803 0.023 0.000 0.885 346 Q CB 0.278 29.037 28.738 0.036 0.000 0.963 346 Q HN 0.333 8.603 8.270 0.000 0.000 0.471 347 I N -2.185 118.391 120.570 0.011 0.000 3.812 347 I HA 0.212 4.375 4.170 -0.012 0.000 0.292 347 I C 1.128 177.243 176.117 -0.004 0.000 1.206 347 I CA 1.385 62.689 61.300 0.007 0.000 1.370 347 I CB 0.953 38.956 38.000 0.004 0.000 1.328 347 I HN 0.178 8.388 8.210 0.000 0.000 0.453 348 G N 0.424 109.215 108.800 -0.015 0.000 2.195 348 G HA2 -0.192 3.760 3.960 -0.012 0.000 0.224 348 G HA3 -0.192 3.760 3.960 -0.012 0.000 0.224 348 G C 0.493 175.373 174.900 -0.032 0.000 0.990 348 G CA 0.368 45.453 45.100 -0.025 0.000 0.639 348 G HN 0.740 9.030 8.290 0.000 0.000 0.514 349 T N -1.877 112.660 114.554 -0.028 0.000 2.907 349 T HA 0.734 5.077 4.350 -0.012 0.000 0.292 349 T C 1.247 175.932 174.700 -0.026 0.000 1.043 349 T CA -0.490 61.593 62.100 -0.029 0.000 1.003 349 T CB 1.778 70.637 68.868 -0.016 0.000 1.084 349 T HN 0.021 8.261 8.240 0.000 0.000 0.483 350 I N 1.135 121.693 120.570 -0.021 0.000 2.315 350 I HA -0.091 4.072 4.170 -0.012 0.000 0.248 350 I C 2.644 178.773 176.117 0.020 0.000 1.117 350 I CA 1.114 62.422 61.300 0.013 0.000 1.404 350 I CB -1.639 36.398 38.000 0.062 0.000 1.071 350 I HN 0.725 8.935 8.210 0.000 0.000 0.419 351 S N 0.460 116.166 115.700 0.010 0.000 2.383 351 S HA -0.195 4.268 4.470 -0.012 0.000 0.229 351 S C 1.878 176.472 174.600 -0.010 0.000 1.030 351 S CA 1.294 59.493 58.200 -0.000 0.000 1.002 351 S CB -0.151 63.047 63.200 -0.003 0.000 0.829 351 S HN 0.501 8.811 8.310 0.000 0.000 0.467 352 E N 0.982 121.176 120.200 -0.011 0.000 2.072 352 E HA -0.021 4.321 4.350 -0.012 0.000 0.190 352 E C 2.386 178.977 176.600 -0.016 0.000 0.982 352 E CA 0.857 57.247 56.400 -0.016 0.000 0.803 352 E CB -0.231 29.461 29.700 -0.014 0.000 0.755 352 E HN 0.487 8.847 8.360 0.000 0.000 0.453 353 A N 1.330 124.147 122.820 -0.006 0.000 1.877 353 A HA -0.194 4.119 4.320 -0.012 0.000 0.216 353 A C 2.187 179.770 177.584 -0.001 0.000 1.186 353 A CA 1.181 53.219 52.037 0.002 0.000 0.620 353 A CB -0.681 18.328 19.000 0.017 0.000 0.822 353 A HN 0.145 8.295 8.150 0.000 0.000 0.443 354 I N -0.194 120.377 120.570 0.002 0.000 2.163 354 I HA -0.320 3.843 4.170 -0.012 0.000 0.243 354 I C 2.997 179.094 176.117 -0.033 0.000 1.085 354 I CA 1.167 62.460 61.300 -0.012 0.000 1.347 354 I CB -0.481 37.513 38.000 -0.011 0.000 1.044 354 I HN 0.375 8.585 8.210 0.000 0.000 0.408 355 A N 0.198 122.996 122.820 -0.037 0.000 1.908 355 A HA -0.224 4.089 4.320 -0.012 0.000 0.218 355 A C 2.497 180.038 177.584 -0.072 0.000 1.181 355 A CA 2.309 54.315 52.037 -0.053 0.000 0.627 355 A CB -0.781 18.191 19.000 -0.048 0.000 0.818 355 A HN 0.400 8.550 8.150 0.000 0.000 0.445 356 S N -0.549 115.112 115.700 -0.064 0.000 2.359 356 S HA -0.174 4.289 4.470 -0.012 0.000 0.224 356 S C 2.365 176.904 174.600 -0.102 0.000 1.035 356 S CA 1.576 59.725 58.200 -0.084 0.000 1.018 356 S CB -0.412 62.759 63.200 -0.048 0.000 0.876 356 S HN 0.721 9.031 8.310 0.000 0.000 0.448 357 S N 1.031 116.693 115.700 -0.064 0.000 2.356 357 S HA -0.127 4.336 4.470 -0.012 0.000 0.223 357 S C 1.814 176.366 174.600 -0.081 0.000 1.032 357 S CA 1.365 59.532 58.200 -0.055 0.000 1.005 357 S CB -0.218 62.966 63.200 -0.027 0.000 0.867 357 S HN 0.456 8.766 8.310 0.000 0.000 0.449 358 K N 0.396 120.748 120.400 -0.080 0.000 2.057 358 K HA -0.041 4.271 4.320 -0.012 0.000 0.206 358 K C 2.102 178.629 176.600 -0.121 0.000 1.050 358 K CA 1.323 57.559 56.287 -0.084 0.000 0.935 358 K CB -0.438 32.020 32.500 -0.071 0.000 0.715 358 K HN 0.300 8.550 8.250 0.000 0.000 0.439 359 L N 1.253 122.385 121.223 -0.151 0.000 2.012 359 L HA -0.242 4.091 4.340 -0.012 0.000 0.210 359 L C 2.067 178.741 176.870 -0.327 0.000 1.073 359 L CA 1.829 56.541 54.840 -0.212 0.000 0.748 359 L CB -0.554 41.374 42.059 -0.219 0.000 0.891 359 L HN 0.219 8.449 8.230 0.000 0.000 0.431 360 C N -0.737 118.328 119.300 -0.392 0.000 2.440 360 C HA -0.106 4.347 4.460 -0.012 0.000 0.278 360 C C 2.726 177.541 174.990 -0.292 0.000 1.295 360 C CA 1.063 59.717 59.018 -0.606 0.000 1.738 360 C CB -0.787 26.685 27.740 -0.446 0.000 1.987 360 C HN 0.589 8.819 8.230 0.000 0.000 0.492 361 M N 0.153 119.675 119.600 -0.131 0.000 2.254 361 M HA -0.100 4.372 4.480 -0.012 0.000 0.265 361 M C 1.978 178.251 176.300 -0.044 0.000 1.066 361 M CA 1.380 56.659 55.300 -0.036 0.000 1.123 361 M CB -0.540 32.047 32.600 -0.022 0.000 1.388 361 M HN 0.428 8.718 8.290 0.000 0.000 0.425 362 E N 0.668 120.816 120.200 -0.087 0.000 2.204 362 E HA -0.147 4.195 4.350 -0.012 0.000 0.195 362 E C 0.894 177.455 176.600 -0.065 0.000 0.990 362 E CA 0.953 57.309 56.400 -0.072 0.000 0.821 362 E CB -0.094 29.553 29.700 -0.088 0.000 0.750 362 E HN 0.533 8.893 8.360 0.000 0.000 0.477 363 N N -1.331 117.302 118.700 -0.112 0.000 2.280 363 N HA 0.110 4.843 4.740 -0.012 0.000 0.192 363 N C 0.502 176.066 175.510 0.090 0.000 1.109 363 N CA 0.509 53.523 53.050 -0.060 0.000 0.855 363 N CB 1.508 39.895 38.487 -0.167 0.000 0.974 363 N HN 0.185 8.565 8.380 0.000 0.000 0.482 364 G N -0.849 108.013 108.800 0.102 0.000 2.176 364 G HA2 -0.206 3.747 3.960 -0.012 0.000 0.232 364 G HA3 -0.206 3.747 3.960 -0.012 0.000 0.232 364 G C -0.404 174.676 174.900 0.301 0.000 0.986 364 G CA -0.575 44.632 45.100 0.178 0.000 0.643 364 G HN 0.102 8.392 8.290 0.000 0.000 0.522 365 W N 2.100 123.411 121.300 0.018 0.000 2.129 365 W HA 0.660 5.313 4.660 -0.012 0.000 0.349 365 W C 1.185 177.709 176.519 0.008 0.000 1.279 365 W CA -0.399 56.956 57.345 0.016 0.000 1.306 365 W CB 0.348 29.809 29.460 0.001 0.000 1.140 365 W HN 0.531 8.711 8.180 0.000 0.000 0.613 366 S N -0.031 115.800 115.700 0.218 0.000 2.693 366 S HA 0.796 5.259 4.470 -0.012 0.000 0.276 366 S C -0.889 173.743 174.600 0.054 0.000 1.192 366 S CA -0.895 57.333 58.200 0.047 0.000 0.994 366 S CB 1.510 64.550 63.200 -0.267 0.000 1.012 366 S HN 0.216 8.526 8.310 0.000 0.000 0.550 367 V N 1.759 121.645 119.914 -0.046 0.000 2.525 367 V HA 0.454 4.566 4.120 -0.012 0.000 0.299 367 V C -0.667 175.367 176.094 -0.100 0.000 1.034 367 V CA -0.514 61.774 62.300 -0.020 0.000 0.863 367 V CB 1.509 33.335 31.823 0.006 0.000 0.999 367 V HN 1.004 9.194 8.190 0.000 0.000 0.423 368 M N 5.689 125.246 119.600 -0.073 0.000 2.044 368 M HA 0.546 5.018 4.480 -0.012 0.000 0.333 368 M C -1.011 175.272 176.300 -0.028 0.000 1.004 368 M CA -0.450 54.801 55.300 -0.082 0.000 0.954 368 M CB 1.294 33.851 32.600 -0.071 0.000 1.468 368 M HN 0.477 8.767 8.290 0.000 0.000 0.414 369 V N 3.657 123.552 119.914 -0.032 0.000 2.655 369 V HA 0.205 4.317 4.120 -0.012 0.000 0.300 369 V C 0.234 176.332 176.094 0.006 0.000 1.044 369 V CA 0.193 62.492 62.300 -0.002 0.000 1.095 369 V CB 1.304 33.124 31.823 -0.005 0.000 0.952 369 V HN 0.900 9.090 8.190 0.000 0.000 0.485 370 S N 2.882 118.612 115.700 0.051 0.000 2.548 370 S HA 0.528 4.991 4.470 -0.012 0.000 0.286 370 S C -0.359 174.347 174.600 0.178 0.000 1.098 370 S CA -0.857 57.407 58.200 0.108 0.000 0.930 370 S CB 0.984 64.274 63.200 0.149 0.000 1.070 370 S HN 0.981 9.291 8.310 0.000 0.000 0.480 371 H N 2.008 121.090 119.070 0.021 0.000 2.598 371 H HA 0.612 5.160 4.556 -0.012 0.000 0.371 371 H C -0.002 175.335 175.328 0.015 0.000 1.468 371 H CA -0.976 55.083 56.048 0.018 0.000 1.454 371 H CB 0.385 30.155 29.762 0.013 0.000 1.579 371 H HN 0.299 8.579 8.280 0.000 0.000 0.611 372 R N -0.241 120.222 120.500 -0.061 0.000 2.856 372 R HA 0.118 4.451 4.340 -0.012 0.000 0.258 372 R C 1.177 177.234 176.300 -0.406 0.000 1.066 372 R CA -0.312 55.669 56.100 -0.197 0.000 1.045 372 R CB 1.315 31.565 30.300 -0.084 0.000 1.178 372 R HN 0.912 9.182 8.270 0.000 0.000 0.499 373 S N -0.981 114.495 115.700 -0.374 0.000 2.453 373 S HA 0.003 4.465 4.470 -0.012 0.000 0.231 373 S C 1.010 175.436 174.600 -0.291 0.000 1.005 373 S CA 0.477 58.377 58.200 -0.500 0.000 0.949 373 S CB 0.005 62.697 63.200 -0.848 0.000 0.774 373 S HN 0.661 8.971 8.310 0.000 0.000 0.510 374 G N 1.557 110.250 108.800 -0.178 0.000 2.504 374 G HA2 0.536 4.489 3.960 -0.012 0.000 0.326 374 G HA3 0.536 4.489 3.960 -0.012 0.000 0.326 374 G C -0.482 174.372 174.900 -0.077 0.000 1.073 374 G CA -0.408 44.630 45.100 -0.104 0.000 1.030 374 G HN 0.129 8.419 8.290 0.000 0.000 0.448 375 E N 0.462 120.629 120.200 -0.054 0.000 2.281 375 E HA 0.660 5.003 4.350 -0.012 0.000 0.257 375 E C 0.371 176.970 176.600 -0.001 0.000 0.971 375 E CA -0.415 55.977 56.400 -0.013 0.000 0.839 375 E CB 2.204 31.921 29.700 0.027 0.000 1.238 375 E HN 0.565 8.925 8.360 0.000 0.000 0.412 376 T N -2.677 111.887 114.554 0.016 0.000 2.773 376 T HA 0.203 4.545 4.350 -0.012 0.000 0.278 376 T C 0.893 175.614 174.700 0.034 0.000 1.011 376 T CA -0.631 61.480 62.100 0.018 0.000 1.014 376 T CB 0.934 69.810 68.868 0.013 0.000 1.293 376 T HN 0.404 8.644 8.240 0.000 0.000 0.554 377 E N 0.382 120.602 120.200 0.033 0.000 2.510 377 E HA -0.127 4.216 4.350 -0.012 0.000 0.202 377 E C 0.237 176.867 176.600 0.051 0.000 1.072 377 E CA 0.350 56.774 56.400 0.040 0.000 0.883 377 E CB -0.511 29.209 29.700 0.034 0.000 0.818 377 E HN 0.755 9.115 8.360 0.000 0.000 0.548 378 D N 1.586 122.021 120.400 0.057 0.000 2.414 378 D HA -0.025 4.608 4.640 -0.012 0.000 0.242 378 D C 0.312 176.667 176.300 0.093 0.000 1.129 378 D CA 1.029 55.077 54.000 0.080 0.000 0.885 378 D CB 1.007 41.854 40.800 0.079 0.000 1.198 378 D HN 0.161 8.531 8.370 0.000 0.000 0.437 379 T N 0.523 115.142 114.554 0.109 0.000 3.145 379 T HA -0.015 4.327 4.350 -0.012 0.000 0.281 379 T C 1.556 176.322 174.700 0.111 0.000 1.003 379 T CA -0.496 61.658 62.100 0.090 0.000 0.901 379 T CB -0.508 68.393 68.868 0.054 0.000 1.112 379 T HN 0.480 8.720 8.240 0.000 0.000 0.535 380 Y N 3.255 123.577 120.300 0.036 0.000 2.096 380 Y HA -0.268 4.275 4.550 -0.012 0.000 0.278 380 Y C 2.002 177.920 175.900 0.030 0.000 1.192 380 Y CA 2.408 60.532 58.100 0.039 0.000 1.143 380 Y CB -0.334 38.149 38.460 0.039 0.000 0.963 380 Y HN 0.514 8.794 8.280 0.000 0.000 0.505 381 I N -1.838 118.868 120.570 0.225 0.000 2.614 381 I HA -0.111 4.052 4.170 -0.012 0.000 0.258 381 I C 2.334 178.461 176.117 0.018 0.000 1.189 381 I CA 1.271 62.654 61.300 0.138 0.000 1.462 381 I CB -0.953 37.115 38.000 0.113 0.000 1.092 381 I HN 0.201 8.411 8.210 0.000 0.000 0.442 382 A N 2.213 125.024 122.820 -0.015 0.000 1.865 382 A HA -0.264 4.048 4.320 -0.012 0.000 0.217 382 A C 1.817 179.336 177.584 -0.108 0.000 1.191 382 A CA 2.511 54.498 52.037 -0.084 0.000 0.623 382 A CB -1.065 17.880 19.000 -0.092 0.000 0.826 382 A HN 0.520 8.670 8.150 0.000 0.000 0.444 383 D N -0.709 119.629 120.400 -0.102 0.000 2.117 383 D HA -0.127 4.505 4.640 -0.012 0.000 0.197 383 D C 1.789 178.036 176.300 -0.087 0.000 0.987 383 D CA 1.216 55.172 54.000 -0.073 0.000 0.829 383 D CB -0.208 40.520 40.800 -0.119 0.000 0.961 383 D HN 0.313 8.683 8.370 0.000 0.000 0.460 384 L N 0.377 121.520 121.223 -0.134 0.000 1.989 384 L HA -0.126 4.207 4.340 -0.012 0.000 0.211 384 L C 2.207 179.065 176.870 -0.019 0.000 1.071 384 L CA 1.394 56.207 54.840 -0.044 0.000 0.749 384 L CB -0.737 41.376 42.059 0.091 0.000 0.890 384 L HN 0.035 8.265 8.230 0.000 0.000 0.431 385 V N -1.239 118.655 119.914 -0.033 0.000 2.407 385 V HA -0.234 3.879 4.120 -0.012 0.000 0.248 385 V C 2.421 178.475 176.094 -0.066 0.000 1.055 385 V CA 1.839 64.110 62.300 -0.049 0.000 1.049 385 V CB -0.016 31.767 31.823 -0.067 0.000 0.662 385 V HN 0.345 8.535 8.190 0.000 0.000 0.455 386 V N 0.466 120.326 119.914 -0.089 0.000 2.295 386 V HA -0.203 3.910 4.120 -0.012 0.000 0.246 386 V C 2.795 178.870 176.094 -0.032 0.000 1.049 386 V CA 2.082 64.319 62.300 -0.104 0.000 1.024 386 V CB -1.225 30.462 31.823 -0.226 0.000 0.648 386 V HN 0.638 8.828 8.190 0.000 0.000 0.447 387 A N -0.446 122.381 122.820 0.011 0.000 1.933 387 A HA -0.109 4.204 4.320 -0.012 0.000 0.218 387 A C 2.145 179.728 177.584 -0.002 0.000 1.175 387 A CA 1.561 53.618 52.037 0.033 0.000 0.628 387 A CB -0.467 18.546 19.000 0.021 0.000 0.814 387 A HN 0.517 8.667 8.150 0.000 0.000 0.444 388 L N -1.244 119.971 121.223 -0.013 0.000 2.492 388 L HA 0.106 4.439 4.340 -0.012 0.000 0.223 388 L C 1.728 178.584 176.870 -0.023 0.000 1.132 388 L CA 0.540 55.369 54.840 -0.019 0.000 0.850 388 L CB -0.480 41.570 42.059 -0.015 0.000 0.966 388 L HN 0.591 8.821 8.230 0.000 0.000 0.454 389 G N 0.451 109.234 108.800 -0.028 0.000 2.225 389 G HA2 -0.348 3.605 3.960 -0.012 0.000 0.267 389 G HA3 -0.348 3.605 3.960 -0.012 0.000 0.267 389 G C 1.059 175.940 174.900 -0.031 0.000 1.024 389 G CA 0.699 45.780 45.100 -0.032 0.000 0.784 389 G HN 0.510 8.800 8.290 0.000 0.000 0.507 390 S N -1.292 114.386 115.700 -0.036 0.000 2.470 390 S HA 0.378 4.841 4.470 -0.012 0.000 0.225 390 S C 2.358 176.943 174.600 -0.025 0.000 1.006 390 S CA 1.440 59.624 58.200 -0.028 0.000 0.934 390 S CB 0.110 63.279 63.200 -0.052 0.000 0.778 390 S HN 2.347 10.658 8.310 0.000 0.000 0.517 391 G N 0.359 109.118 108.800 -0.068 0.000 2.179 391 G HA2 -0.223 3.730 3.960 -0.012 0.000 0.260 391 G HA3 -0.223 3.730 3.960 -0.012 0.000 0.260 391 G C -0.186 174.602 174.900 -0.188 0.000 0.977 391 G CA 0.302 45.344 45.100 -0.097 0.000 0.641 391 G HN 0.650 8.940 8.290 0.000 0.000 0.533 392 Q N -0.593 119.079 119.800 -0.213 0.000 2.305 392 Q HA 0.756 5.088 4.340 -0.012 0.000 0.271 392 Q C -0.956 174.964 176.000 -0.134 0.000 1.046 392 Q CA -0.660 55.006 55.803 -0.227 0.000 0.798 392 Q CB 2.902 31.408 28.738 -0.387 0.000 1.286 392 Q HN 0.444 8.714 8.270 0.000 0.000 0.435 393 I N 2.114 122.623 120.570 -0.102 0.000 2.656 393 I HA 0.406 4.569 4.170 -0.012 0.000 0.292 393 I C -1.634 174.402 176.117 -0.135 0.000 1.144 393 I CA -0.705 60.535 61.300 -0.101 0.000 1.038 393 I CB 1.712 39.657 38.000 -0.091 0.000 1.244 393 I HN 0.553 8.763 8.210 0.000 0.000 0.420 394 K N 3.990 124.303 120.400 -0.144 0.000 2.274 394 K HA 0.526 4.839 4.320 -0.012 0.000 0.262 394 K C -0.584 175.715 176.600 -0.502 0.000 0.961 394 K CA -0.609 55.538 56.287 -0.233 0.000 0.833 394 K CB 1.984 34.421 32.500 -0.106 0.000 1.102 394 K HN 0.473 8.723 8.250 0.000 0.000 0.436 395 T N 1.436 115.621 114.554 -0.616 0.000 3.567 395 T HA 0.359 4.702 4.350 -0.012 0.000 0.314 395 T C -0.062 174.342 174.700 -0.493 0.000 0.942 395 T CA 0.334 61.950 62.100 -0.807 0.000 0.997 395 T CB -0.271 68.433 68.868 -0.274 0.000 1.205 395 T HN 1.167 9.407 8.240 0.000 0.000 0.518 396 G N 1.061 109.677 108.800 -0.305 0.000 2.497 396 G HA2 0.402 4.355 3.960 -0.012 0.000 0.686 396 G HA3 0.402 4.355 3.960 -0.012 0.000 0.686 396 G C -0.102 174.893 174.900 0.158 0.000 1.288 396 G CA -0.395 44.769 45.100 0.106 0.000 0.899 396 G HN 0.831 9.121 8.290 0.000 0.000 0.608 397 A N 0.715 123.595 122.820 0.100 0.000 2.492 397 A HA 0.589 4.902 4.320 -0.012 0.000 0.236 397 A C -1.092 176.398 177.584 -0.158 0.000 1.078 397 A CA 0.193 52.191 52.037 -0.065 0.000 0.773 397 A CB -0.057 18.751 19.000 -0.320 0.000 1.023 397 A HN 0.864 9.014 8.150 0.000 0.000 0.504 398 P HA 0.263 4.683 4.420 0.000 0.000 0.226 398 P C -0.700 176.328 177.300 -0.453 0.000 1.783 398 P CA 0.182 63.049 63.100 -0.388 0.000 0.980 398 P CB -0.580 30.761 31.700 -0.599 0.000 1.967 399 C N 2.821 121.924 119.300 -0.329 0.000 3.247 399 C HA 0.557 5.010 4.460 -0.012 0.000 0.375 399 C C -1.205 173.721 174.990 -0.106 0.000 1.102 399 C CA -0.304 58.565 59.018 -0.247 0.000 1.227 399 C CB 0.543 28.029 27.740 -0.424 0.000 1.586 399 C HN 0.622 8.852 8.230 0.000 0.000 0.544 400 R N 3.168 123.646 120.500 -0.035 0.000 1.124 400 R HA -0.090 4.242 4.340 -0.012 0.000 0.425 400 R C 0.884 177.191 176.300 0.012 0.000 1.336 400 R CA 0.565 56.665 56.100 -0.001 0.000 0.984 400 R CB -1.286 29.015 30.300 0.001 0.000 3.079 400 R HN 1.490 9.760 8.270 0.000 0.000 0.509 401 G N 2.496 111.309 108.800 0.022 0.000 2.499 401 G HA2 -0.333 3.619 3.960 -0.012 0.000 0.221 401 G HA3 -0.333 3.619 3.960 -0.012 0.000 0.221 401 G C 1.159 176.081 174.900 0.037 0.000 1.109 401 G CA 1.117 46.235 45.100 0.030 0.000 0.749 401 G HN 0.793 9.083 8.290 0.000 0.000 0.568 402 E N 0.499 120.721 120.200 0.037 0.000 2.435 402 E HA -0.016 4.327 4.350 -0.012 0.000 0.195 402 E C 1.956 178.596 176.600 0.067 0.000 1.029 402 E CA 0.192 56.620 56.400 0.046 0.000 0.865 402 E CB -0.081 29.640 29.700 0.036 0.000 0.833 402 E HN 0.297 8.657 8.360 0.000 0.000 0.510 403 R N 0.818 121.355 120.500 0.063 0.000 2.121 403 R HA 0.068 4.400 4.340 -0.012 0.000 0.206 403 R C 2.611 178.952 176.300 0.067 0.000 1.094 403 R CA 1.740 57.884 56.100 0.074 0.000 1.055 403 R CB -1.436 28.904 30.300 0.067 0.000 0.964 403 R HN 0.390 8.660 8.270 0.000 0.000 0.473 404 T N -0.019 114.567 114.554 0.054 0.000 2.881 404 T HA -0.002 4.341 4.350 -0.012 0.000 0.270 404 T C 2.104 176.846 174.700 0.070 0.000 1.068 404 T CA 1.177 63.316 62.100 0.065 0.000 1.131 404 T CB -0.243 68.650 68.868 0.042 0.000 0.871 404 T HN 0.185 8.425 8.240 0.000 0.000 0.479 405 A N 2.080 124.934 122.820 0.058 0.000 1.940 405 A HA -0.118 4.194 4.320 -0.012 0.000 0.219 405 A C 2.376 179.991 177.584 0.051 0.000 1.176 405 A CA 1.892 53.961 52.037 0.053 0.000 0.631 405 A CB -0.578 18.451 19.000 0.049 0.000 0.814 405 A HN 0.465 8.615 8.150 0.000 0.000 0.446 406 K N -0.139 120.293 120.400 0.053 0.000 2.031 406 K HA 0.095 4.408 4.320 -0.012 0.000 0.205 406 K C 1.783 178.402 176.600 0.032 0.000 1.049 406 K CA 1.099 57.405 56.287 0.033 0.000 0.939 406 K CB -0.536 31.980 32.500 0.026 0.000 0.717 406 K HN 0.510 8.760 8.250 0.000 0.000 0.438 407 L N 0.936 122.225 121.223 0.110 0.000 2.046 407 L HA -0.218 4.115 4.340 -0.012 0.000 0.208 407 L C 1.736 178.723 176.870 0.194 0.000 1.077 407 L CA 1.115 56.101 54.840 0.243 0.000 0.747 407 L CB -0.586 41.666 42.059 0.322 0.000 0.896 407 L HN 0.211 8.441 8.230 0.000 0.000 0.432 408 N N -0.161 118.613 118.700 0.124 0.000 2.166 408 N HA -0.215 4.517 4.740 -0.012 0.000 0.186 408 N C 1.890 177.421 175.510 0.034 0.000 1.019 408 N CA 1.045 54.150 53.050 0.092 0.000 0.856 408 N CB -0.276 38.254 38.487 0.072 0.000 0.993 408 N HN 0.288 8.668 8.380 0.000 0.000 0.426 409 Q N 0.977 120.779 119.800 0.002 0.000 2.124 409 Q HA 0.042 4.374 4.340 -0.012 0.000 0.202 409 Q C 1.964 177.889 176.000 -0.125 0.000 0.977 409 Q CA 1.098 56.880 55.803 -0.036 0.000 0.850 409 Q CB -0.369 28.355 28.738 -0.022 0.000 0.901 409 Q HN 0.382 8.652 8.270 0.000 0.000 0.429 410 L N -0.435 120.650 121.223 -0.230 0.000 2.083 410 L HA -0.186 4.147 4.340 -0.012 0.000 0.209 410 L C 2.305 178.921 176.870 -0.425 0.000 1.083 410 L CA 0.936 55.455 54.840 -0.535 0.000 0.752 410 L CB -0.494 40.889 42.059 -1.127 0.000 0.899 410 L HN 0.286 8.516 8.230 0.000 0.000 0.433 411 L N -0.603 120.550 121.223 -0.118 0.000 2.042 411 L HA -0.237 4.096 4.340 -0.012 0.000 0.210 411 L C 2.870 179.736 176.870 -0.007 0.000 1.076 411 L CA 1.406 56.283 54.840 0.062 0.000 0.749 411 L CB -0.554 41.592 42.059 0.145 0.000 0.893 411 L HN 0.245 8.475 8.230 0.000 0.000 0.432 412 R N 0.001 120.485 120.500 -0.027 0.000 2.081 412 R HA -0.117 4.216 4.340 -0.012 0.000 0.235 412 R C 2.259 178.533 176.300 -0.044 0.000 1.131 412 R CA 1.317 57.408 56.100 -0.015 0.000 0.960 412 R CB -0.454 29.850 30.300 0.006 0.000 0.856 412 R HN 0.344 8.614 8.270 0.000 0.000 0.436 413 I N 0.869 121.361 120.570 -0.129 0.000 2.202 413 I HA -0.253 3.910 4.170 -0.012 0.000 0.242 413 I C 2.660 178.639 176.117 -0.230 0.000 1.091 413 I CA 1.259 62.400 61.300 -0.265 0.000 1.368 413 I CB -0.371 37.325 38.000 -0.507 0.000 1.058 413 I HN 0.244 8.454 8.210 0.000 0.000 0.410 414 E N 1.180 121.272 120.200 -0.180 0.000 2.086 414 E HA -0.356 3.986 4.350 -0.012 0.000 0.205 414 E C 2.136 178.718 176.600 -0.031 0.000 1.027 414 E CA 2.106 58.459 56.400 -0.079 0.000 0.830 414 E CB -0.135 29.566 29.700 0.002 0.000 0.751 414 E HN 0.480 8.840 8.360 0.000 0.000 0.456 415 E N -0.061 120.130 120.200 -0.016 0.000 2.110 415 E HA -0.222 4.120 4.350 -0.012 0.000 0.193 415 E C 1.951 178.555 176.600 0.007 0.000 0.988 415 E CA 1.154 57.556 56.400 0.004 0.000 0.804 415 E CB 0.047 29.756 29.700 0.013 0.000 0.745 415 E HN 0.363 8.723 8.360 0.000 0.000 0.458 416 E N 0.163 120.368 120.200 0.010 0.000 2.106 416 E HA -0.148 4.194 4.350 -0.012 0.000 0.192 416 E C 2.162 178.790 176.600 0.045 0.000 0.984 416 E CA 0.789 57.218 56.400 0.048 0.000 0.806 416 E CB 0.029 29.800 29.700 0.118 0.000 0.750 416 E HN 0.360 8.720 8.360 0.000 0.000 0.458 417 L N 0.024 121.253 121.223 0.010 0.000 2.395 417 L HA 0.066 4.399 4.340 -0.012 0.000 0.218 417 L C 1.177 178.055 176.870 0.014 0.000 1.130 417 L CA 0.310 55.159 54.840 0.015 0.000 0.826 417 L CB -0.588 41.451 42.059 -0.032 0.000 0.941 417 L HN 0.169 8.399 8.230 0.000 0.000 0.451 418 G N -0.490 108.311 108.800 0.002 0.000 2.855 418 G HA2 -0.253 3.700 3.960 -0.012 0.000 0.352 418 G HA3 -0.253 3.700 3.960 -0.012 0.000 0.352 418 G C 0.631 175.541 174.900 0.016 0.000 1.415 418 G CA -0.219 44.873 45.100 -0.013 0.000 0.871 418 G HN 0.221 8.511 8.290 0.000 0.000 0.543 419 A N -1.387 121.437 122.820 0.008 0.000 2.121 419 A HA 0.108 4.421 4.320 -0.012 0.000 0.218 419 A C 1.828 179.536 177.584 0.207 0.000 1.154 419 A CA 2.287 54.373 52.037 0.082 0.000 0.679 419 A CB -0.464 18.579 19.000 0.072 0.000 0.795 419 A HN 0.890 9.040 8.150 0.000 0.000 0.458 420 H N 0.139 119.220 119.070 0.020 0.000 2.524 420 H HA 0.320 4.869 4.556 -0.012 0.000 0.282 420 H C 1.330 176.673 175.328 0.025 0.000 1.016 420 H CA -0.266 55.794 56.048 0.021 0.000 1.270 420 H CB -0.702 29.070 29.762 0.017 0.000 1.394 420 H HN 0.482 8.762 8.280 0.000 0.000 0.568 421 A N 1.831 124.737 122.820 0.142 0.000 2.540 421 A HA 0.069 4.381 4.320 -0.012 0.000 0.239 421 A C 0.433 178.075 177.584 0.096 0.000 1.061 421 A CA -0.188 51.902 52.037 0.089 0.000 0.758 421 A CB 0.227 19.260 19.000 0.055 0.000 0.991 421 A HN 0.048 8.198 8.150 0.000 0.000 0.502 422 K N 1.100 121.543 120.400 0.073 0.000 2.298 422 K HA 0.335 4.647 4.320 -0.012 0.000 0.280 422 K C -0.918 175.763 176.600 0.135 0.000 1.032 422 K CA 0.145 56.477 56.287 0.076 0.000 0.958 422 K CB 0.778 33.289 32.500 0.019 0.000 0.978 422 K HN 0.580 8.830 8.250 0.000 0.000 0.472 423 F N 0.566 120.524 119.950 0.014 0.000 2.520 423 F HA 0.566 5.086 4.527 -0.012 0.000 0.322 423 F C 0.338 176.156 175.800 0.029 0.000 1.103 423 F CA 0.309 58.330 58.000 0.035 0.000 0.926 423 F CB 1.524 40.556 39.000 0.052 0.000 1.154 423 F HN 0.766 9.066 8.300 0.000 0.000 0.453 424 G N 3.778 111.916 108.800 -1.104 0.000 2.592 424 G HA2 -0.053 3.900 3.960 -0.012 0.000 0.684 424 G HA3 -0.053 3.900 3.960 -0.012 0.000 0.684 424 G C -2.031 172.618 174.900 -0.419 0.000 1.291 424 G CA -0.784 43.623 45.100 -1.155 0.000 0.891 424 G HN 0.914 9.204 8.290 0.000 0.000 0.544 425 F N 2.541 122.215 119.950 -0.460 0.000 2.371 425 F HA 0.622 5.141 4.527 -0.012 0.000 0.363 425 F C -0.918 174.696 175.800 -0.311 0.000 1.122 425 F CA -2.305 55.419 58.000 -0.460 0.000 1.129 425 F CB 1.809 40.312 39.000 -0.829 0.000 1.173 425 F HN 0.185 8.485 8.300 0.000 0.000 0.489 426 P HA -0.152 4.268 4.420 0.000 0.000 0.217 426 P C 1.600 178.592 177.300 -0.514 0.000 1.151 426 P CA 1.847 64.644 63.100 -0.505 0.000 0.849 426 P CB 0.093 31.535 31.700 -0.429 0.000 0.787 427 G N -2.247 105.972 108.800 -0.968 0.000 2.509 427 G HA2 -0.184 3.769 3.960 -0.012 0.000 0.218 427 G HA3 -0.184 3.769 3.960 -0.012 0.000 0.218 427 G C 0.694 175.676 174.900 0.136 0.000 1.124 427 G CA 0.255 45.113 45.100 -0.404 0.000 0.776 427 G HN 0.237 8.527 8.290 0.000 0.000 0.547 428 W N 0.866 122.179 121.300 0.021 0.000 3.013 428 W HA 0.431 5.084 4.660 -0.012 0.000 0.280 428 W C 1.133 177.672 176.519 0.033 0.000 1.249 428 W CA -1.234 56.172 57.345 0.102 0.000 1.577 428 W CB -0.799 28.776 29.460 0.192 0.000 1.057 428 W HN -0.041 8.139 8.180 0.000 0.000 0.613 429 S N 0.000 115.811 115.700 0.185 0.000 2.498 429 S HA 0.000 4.463 4.470 -0.012 0.000 0.327 429 S CA 0.000 58.269 58.200 0.115 0.000 1.107 429 S CB 0.000 63.228 63.200 0.048 0.000 0.593 429 S HN 0.000 8.310 8.310 0.000 0.000 0.517