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 2ikh_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASRILLNNGA KMPILGLGTW KSPPGQVTEA VKVAIDVGYR HIDCAHVYQN DATA SEQUENCE ENEVGVAIQE KLREQVVKRE ELFIVSKLWC TYHEKGLVKG ACQKTLSDLK DATA SEQUENCE LDYLDLYLIH WPTGFKPGKE FFPLDESGNV VPSDTNILDT WAAMEELVDE DATA SEQUENCE GLVKAIGISN FNHLQVEMIL NKPGLKYKPA VNQIECHPYL TQEKLIQYCQ DATA SEQUENCE SKGIVVTAYS PLGSPDRPWA KPEDPSLLED PRIKAIAAKH NKTTAQVLIR DATA SEQUENCE FPMQRNLVVI PKSVTPERIA ENFKVFDFEL SSQDMTTLLS YNRNWRVCAL DATA SEQUENCE LSCTSHKDYP FHEEF 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.607 177.584 0.038 0.000 1.274 1 A CA 0.000 52.043 52.037 0.010 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 S N -0.103 115.575 115.700 -0.037 0.000 2.489 2 S HA 0.142 4.631 4.470 0.031 0.000 0.228 2 S C 0.778 175.386 174.600 0.012 0.000 0.995 2 S CA 0.760 58.929 58.200 -0.052 0.000 0.934 2 S CB -0.133 62.933 63.200 -0.222 0.000 0.771 2 S HN 0.691 9.001 8.310 -0.000 0.000 0.522 3 R N -0.232 120.261 120.500 -0.011 0.000 2.854 3 R HA 0.697 5.056 4.340 0.031 0.000 0.271 3 R C -1.332 174.944 176.300 -0.041 0.000 0.994 3 R CA -0.784 55.296 56.100 -0.033 0.000 0.945 3 R CB 1.818 32.095 30.300 -0.038 0.000 1.194 3 R HN 0.287 8.557 8.270 -0.000 0.000 0.476 4 I N 1.567 122.095 120.570 -0.070 0.000 2.569 4 I HA 0.321 4.510 4.170 0.031 0.000 0.296 4 I C -0.862 175.215 176.117 -0.065 0.000 1.028 4 I CA -1.018 60.244 61.300 -0.064 0.000 1.082 4 I CB 1.668 39.627 38.000 -0.069 0.000 1.264 4 I HN 0.413 8.623 8.210 -0.000 0.000 0.429 5 L N 7.288 128.485 121.223 -0.042 0.000 2.319 5 L HA 0.295 4.654 4.340 0.031 0.000 0.280 5 L C -0.794 176.061 176.870 -0.026 0.000 1.099 5 L CA -0.553 54.270 54.840 -0.027 0.000 0.828 5 L CB 1.176 43.223 42.059 -0.019 0.000 1.150 5 L HN 0.528 8.758 8.230 -0.000 0.000 0.442 6 L N 4.258 125.474 121.223 -0.011 0.000 2.439 6 L HA 0.181 4.540 4.340 0.031 0.000 0.259 6 L C 1.491 178.365 176.870 0.008 0.000 1.129 6 L CA 0.191 55.032 54.840 0.002 0.000 0.803 6 L CB 0.988 43.069 42.059 0.037 0.000 1.161 6 L HN 0.632 8.862 8.230 -0.000 0.000 0.462 7 N N -0.055 118.651 118.700 0.011 0.000 2.515 7 N HA -0.100 4.659 4.740 0.031 0.000 0.191 7 N C 0.275 175.801 175.510 0.027 0.000 1.182 7 N CA 0.297 53.356 53.050 0.015 0.000 0.879 7 N CB -0.112 38.383 38.487 0.013 0.000 0.984 7 N HN 0.662 9.042 8.380 -0.000 0.000 0.453 8 N N 0.167 118.879 118.700 0.020 0.000 2.280 8 N HA 0.082 4.841 4.740 0.031 0.000 0.192 8 N C 1.152 176.660 175.510 -0.004 0.000 1.109 8 N CA 0.607 53.657 53.050 -0.000 0.000 0.855 8 N CB 0.164 38.630 38.487 -0.033 0.000 0.974 8 N HN 0.332 8.712 8.380 -0.000 0.000 0.482 9 G N -0.893 107.911 108.800 0.007 0.000 2.179 9 G HA2 -0.191 3.788 3.960 0.031 0.000 0.260 9 G HA3 -0.191 3.788 3.960 0.031 0.000 0.260 9 G C 0.213 175.121 174.900 0.012 0.000 0.977 9 G CA 0.281 45.383 45.100 0.005 0.000 0.641 9 G HN 0.834 9.124 8.290 -0.000 0.000 0.533 10 A N -0.288 122.551 122.820 0.032 0.000 2.279 10 A HA 0.787 5.126 4.320 0.031 0.000 0.303 10 A C 0.276 177.905 177.584 0.075 0.000 1.108 10 A CA -0.189 51.889 52.037 0.068 0.000 0.830 10 A CB 0.739 19.807 19.000 0.114 0.000 1.106 10 A HN 0.348 8.498 8.150 -0.000 0.000 0.493 11 K N 0.625 121.075 120.400 0.083 0.000 2.185 11 K HA 0.501 4.840 4.320 0.031 0.000 0.269 11 K C -0.831 175.743 176.600 -0.044 0.000 0.987 11 K CA -0.015 56.282 56.287 0.018 0.000 0.865 11 K CB 1.806 34.314 32.500 0.013 0.000 1.090 11 K HN 0.737 8.987 8.250 -0.000 0.000 0.450 12 M N 4.547 123.990 119.600 -0.261 0.000 2.181 12 M HA 0.348 4.847 4.480 0.031 0.000 0.323 12 M C -2.538 173.499 176.300 -0.439 0.000 1.004 12 M CA -2.163 52.677 55.300 -0.766 0.000 0.941 12 M CB 1.614 33.707 32.600 -0.844 0.000 1.579 12 M HN 0.219 8.509 8.290 -0.000 0.000 0.427 13 P HA 0.030 4.450 4.420 -0.000 0.000 0.267 13 P C 0.513 177.852 177.300 0.065 0.000 1.209 13 P CA 0.120 63.201 63.100 -0.032 0.000 0.763 13 P CB 0.117 31.894 31.700 0.128 0.000 0.816 14 I N 0.883 121.504 120.570 0.084 0.000 3.111 14 I HA 0.060 4.249 4.170 0.031 0.000 0.272 14 I C 0.256 176.445 176.117 0.119 0.000 1.268 14 I CA 0.917 62.264 61.300 0.078 0.000 1.467 14 I CB -0.106 37.916 38.000 0.038 0.000 1.087 14 I HN 0.097 8.307 8.210 -0.000 0.000 0.467 15 L N 2.120 123.455 121.223 0.188 0.000 2.333 15 L HA 0.856 5.215 4.340 0.031 0.000 0.280 15 L C -0.056 176.928 176.870 0.189 0.000 1.004 15 L CA -0.307 54.619 54.840 0.143 0.000 0.820 15 L CB 1.288 43.393 42.059 0.077 0.000 1.247 15 L HN 0.139 8.369 8.230 -0.000 0.000 0.416 16 G N 3.677 112.480 108.800 0.004 0.000 2.630 16 G HA2 0.549 4.528 3.960 0.031 0.000 0.296 16 G HA3 0.549 4.528 3.960 0.031 0.000 0.296 16 G C -1.959 173.014 174.900 0.123 0.000 1.285 16 G CA -0.745 44.211 45.100 -0.241 0.000 0.958 16 G HN 0.583 8.873 8.290 -0.000 0.000 0.479 17 L N 1.515 122.797 121.223 0.098 0.000 2.264 17 L HA 0.681 5.040 4.340 0.031 0.000 0.289 17 L C 0.862 177.740 176.870 0.014 0.000 1.044 17 L CA -0.248 54.591 54.840 -0.002 0.000 0.807 17 L CB 0.786 42.699 42.059 -0.244 0.000 1.192 17 L HN 0.630 8.860 8.230 -0.000 0.000 0.425 18 G N 2.055 110.887 108.800 0.052 0.000 2.503 18 G HA2 0.411 4.389 3.960 0.031 0.000 0.257 18 G HA3 0.411 4.389 3.960 0.031 0.000 0.257 18 G C 0.434 175.378 174.900 0.074 0.000 1.214 18 G CA 0.319 45.476 45.100 0.096 0.000 0.839 18 G HN 0.802 9.092 8.290 -0.000 0.000 0.559 19 T N -2.838 111.791 114.554 0.124 0.000 3.087 19 T HA 0.054 4.422 4.350 0.031 0.000 0.283 19 T C 0.107 174.805 174.700 -0.004 0.000 0.956 19 T CA -0.525 61.633 62.100 0.096 0.000 0.894 19 T CB -0.107 68.871 68.868 0.184 0.000 1.160 19 T HN 0.455 8.695 8.240 -0.000 0.000 0.532 20 W N 3.980 124.992 121.300 -0.481 0.000 2.308 20 W HA 0.430 5.111 4.660 0.035 0.000 0.324 20 W C 0.523 176.804 176.519 -0.397 0.000 1.387 20 W CA -0.360 56.434 57.345 -0.919 0.000 1.250 20 W CB 0.033 28.884 29.460 -1.015 0.000 1.257 20 W HN 0.423 8.603 8.180 -0.000 0.000 0.554 21 K N 2.190 122.301 120.400 -0.482 0.000 3.512 21 K HA -0.186 4.153 4.320 0.031 0.000 0.309 21 K C 0.201 176.656 176.600 -0.242 0.000 1.350 21 K CA 0.994 56.997 56.287 -0.474 0.000 0.960 21 K CB -1.890 30.149 32.500 -0.767 0.000 1.290 21 K HN 0.369 8.619 8.250 -0.000 0.000 0.454 22 S N 2.420 118.035 115.700 -0.143 0.000 2.455 22 S HA 0.220 4.709 4.470 0.031 0.000 0.278 22 S C -2.174 172.397 174.600 -0.048 0.000 1.216 22 S CA -0.898 57.253 58.200 -0.082 0.000 1.055 22 S CB 0.624 63.798 63.200 -0.043 0.000 0.939 22 S HN -0.004 8.306 8.310 -0.000 0.000 0.494 23 P HA 0.076 4.496 4.420 -0.000 0.000 0.266 23 P C -1.740 175.555 177.300 -0.008 0.000 1.195 23 P CA -1.199 61.883 63.100 -0.031 0.000 0.768 23 P CB 0.078 31.756 31.700 -0.037 0.000 0.838 24 P HA -0.141 4.279 4.420 -0.000 0.000 0.219 24 P C 1.364 178.668 177.300 0.008 0.000 1.146 24 P CA 1.680 64.791 63.100 0.018 0.000 0.808 24 P CB -0.359 31.357 31.700 0.026 0.000 0.779 25 G N -0.622 108.178 108.800 0.000 0.000 2.650 25 G HA2 -0.148 3.830 3.960 0.031 0.000 0.214 25 G HA3 -0.148 3.830 3.960 0.031 0.000 0.214 25 G C 1.403 176.298 174.900 -0.009 0.000 1.136 25 G CA 0.277 45.375 45.100 -0.003 0.000 0.789 25 G HN 0.337 8.627 8.290 -0.000 0.000 0.536 26 Q N -1.165 118.627 119.800 -0.013 0.000 2.280 26 Q HA 0.252 4.611 4.340 0.031 0.000 0.244 26 Q C 2.106 178.093 176.000 -0.021 0.000 0.847 26 Q CA -0.181 55.610 55.803 -0.020 0.000 0.945 26 Q CB 0.842 29.564 28.738 -0.028 0.000 1.115 26 Q HN 0.247 8.517 8.270 -0.000 0.000 0.513 27 V N 0.473 120.379 119.914 -0.014 0.000 2.719 27 V HA -0.166 3.973 4.120 0.031 0.000 0.252 27 V C 1.744 177.830 176.094 -0.013 0.000 1.065 27 V CA 1.999 64.292 62.300 -0.013 0.000 1.086 27 V CB -0.026 31.801 31.823 0.006 0.000 0.700 27 V HN 0.388 8.578 8.190 -0.000 0.000 0.467 28 T N 0.065 114.614 114.554 -0.008 0.000 2.708 28 T HA -0.201 4.168 4.350 0.031 0.000 0.266 28 T C 1.784 176.473 174.700 -0.019 0.000 1.037 28 T CA 1.907 64.001 62.100 -0.009 0.000 1.146 28 T CB -0.193 68.672 68.868 -0.004 0.000 0.865 28 T HN 0.554 8.794 8.240 -0.000 0.000 0.435 29 E N 1.469 121.657 120.200 -0.020 0.000 2.110 29 E HA -0.027 4.341 4.350 0.031 0.000 0.193 29 E C 2.206 178.783 176.600 -0.038 0.000 0.988 29 E CA 1.293 57.678 56.400 -0.025 0.000 0.804 29 E CB -0.576 29.111 29.700 -0.021 0.000 0.745 29 E HN 0.424 8.784 8.360 -0.000 0.000 0.458 30 A N 0.007 122.799 122.820 -0.045 0.000 1.908 30 A HA -0.167 4.171 4.320 0.031 0.000 0.218 30 A C 2.496 180.019 177.584 -0.101 0.000 1.181 30 A CA 1.786 53.781 52.037 -0.071 0.000 0.627 30 A CB -0.806 18.151 19.000 -0.071 0.000 0.818 30 A HN 0.211 8.361 8.150 -0.000 0.000 0.445 31 V N -0.053 119.814 119.914 -0.079 0.000 2.427 31 V HA -0.241 3.897 4.120 0.031 0.000 0.248 31 V C 2.420 178.473 176.094 -0.069 0.000 1.051 31 V CA 2.236 64.486 62.300 -0.084 0.000 1.048 31 V CB -0.645 31.153 31.823 -0.041 0.000 0.666 31 V HN 0.541 8.731 8.190 -0.000 0.000 0.456 32 K N -0.246 120.126 120.400 -0.047 0.000 2.032 32 K HA -0.153 4.185 4.320 0.031 0.000 0.209 32 K C 2.097 178.672 176.600 -0.042 0.000 1.048 32 K CA 1.519 57.785 56.287 -0.035 0.000 0.927 32 K CB -0.455 32.030 32.500 -0.025 0.000 0.712 32 K HN 0.305 8.555 8.250 -0.000 0.000 0.441 33 V N 1.336 121.220 119.914 -0.050 0.000 2.343 33 V HA -0.269 3.870 4.120 0.031 0.000 0.247 33 V C 2.341 178.399 176.094 -0.060 0.000 1.051 33 V CA 2.027 64.300 62.300 -0.045 0.000 1.036 33 V CB -0.652 31.146 31.823 -0.040 0.000 0.654 33 V HN 0.386 8.576 8.190 -0.000 0.000 0.451 34 A N -0.096 122.642 122.820 -0.136 0.000 1.883 34 A HA -0.211 4.127 4.320 0.031 0.000 0.217 34 A C 2.166 179.730 177.584 -0.034 0.000 1.186 34 A CA 2.135 54.041 52.037 -0.218 0.000 0.624 34 A CB -0.567 18.083 19.000 -0.583 0.000 0.822 34 A HN 0.516 8.666 8.150 -0.000 0.000 0.444 35 I N -0.207 120.338 120.570 -0.042 0.000 2.252 35 I HA -0.216 3.972 4.170 0.031 0.000 0.245 35 I C 1.756 177.855 176.117 -0.030 0.000 1.102 35 I CA 1.340 62.634 61.300 -0.009 0.000 1.385 35 I CB -0.446 37.553 38.000 -0.003 0.000 1.064 35 I HN 0.229 8.439 8.210 -0.000 0.000 0.414 36 D N 0.468 120.851 120.400 -0.030 0.000 2.182 36 D HA -0.139 4.519 4.640 0.031 0.000 0.201 36 D C 1.988 178.262 176.300 -0.044 0.000 0.986 36 D CA 1.563 55.547 54.000 -0.028 0.000 0.847 36 D CB -0.140 40.649 40.800 -0.018 0.000 0.942 36 D HN 0.371 8.741 8.370 -0.000 0.000 0.467 37 V N -3.892 115.985 119.914 -0.061 0.000 3.596 37 V HA 0.584 4.723 4.120 0.031 0.000 0.289 37 V C 1.312 177.191 176.094 -0.359 0.000 1.336 37 V CA 0.632 62.873 62.300 -0.099 0.000 1.137 37 V CB 0.285 32.102 31.823 -0.010 0.000 0.966 37 V HN 0.220 8.410 8.190 -0.000 0.000 0.428 38 G N -1.071 107.493 108.800 -0.392 0.000 2.229 38 G HA2 -0.212 3.767 3.960 0.031 0.000 0.189 38 G HA3 -0.212 3.767 3.960 0.031 0.000 0.189 38 G C -0.242 174.276 174.900 -0.637 0.000 1.000 38 G CA -0.118 44.639 45.100 -0.572 0.000 0.663 38 G HN 0.498 8.788 8.290 -0.000 0.000 0.493 39 Y N 0.931 120.828 120.300 -0.671 0.000 2.497 39 Y HA 0.568 5.137 4.550 0.031 0.000 0.334 39 Y C 1.700 177.591 175.900 -0.015 0.000 1.199 39 Y CA 0.010 57.983 58.100 -0.210 0.000 1.425 39 Y CB 0.669 39.083 38.460 -0.077 0.000 1.291 39 Y HN -0.010 8.270 8.280 -0.000 0.000 0.562 40 R N 0.925 121.595 120.500 0.284 0.000 2.531 40 R HA 0.077 4.436 4.340 0.031 0.000 0.316 40 R C -0.699 175.805 176.300 0.340 0.000 0.955 40 R CA -0.063 56.183 56.100 0.243 0.000 1.120 40 R CB 0.070 30.485 30.300 0.192 0.000 1.361 40 R HN 0.800 9.070 8.270 -0.000 0.000 0.534 41 H N 0.404 119.634 119.070 0.267 0.000 2.689 41 H HA 0.428 5.003 4.556 0.031 0.000 0.346 41 H C -1.026 174.455 175.328 0.256 0.000 1.037 41 H CA -0.678 55.539 56.048 0.282 0.000 1.234 41 H CB 1.398 31.300 29.762 0.233 0.000 1.572 41 H HN -0.193 8.087 8.280 -0.000 0.000 0.524 42 I N 4.238 125.064 120.570 0.427 0.000 2.436 42 I HA 0.118 4.307 4.170 0.031 0.000 0.289 42 I C -0.427 175.871 176.117 0.301 0.000 1.010 42 I CA -0.567 60.874 61.300 0.234 0.000 1.098 42 I CB 1.408 39.496 38.000 0.148 0.000 1.266 42 I HN 0.726 8.936 8.210 -0.000 0.000 0.434 43 D N 5.249 125.770 120.400 0.202 0.000 2.274 43 D HA 0.530 5.188 4.640 0.031 0.000 0.239 43 D C -0.820 175.621 176.300 0.235 0.000 1.104 43 D CA 0.117 54.261 54.000 0.240 0.000 0.840 43 D CB 0.970 41.898 40.800 0.214 0.000 1.100 43 D HN 0.527 8.897 8.370 -0.000 0.000 0.477 44 C N 2.789 122.196 119.300 0.179 0.000 2.913 44 C HA 1.040 5.519 4.460 0.031 0.000 0.322 44 C C -0.432 174.482 174.990 -0.126 0.000 1.292 44 C CA -0.649 58.448 59.018 0.133 0.000 1.649 44 C CB 0.989 28.788 27.740 0.097 0.000 2.139 44 C HN 0.795 9.025 8.230 -0.000 0.000 0.475 45 A N -0.777 121.835 122.820 -0.346 0.000 2.555 45 A HA 0.570 4.909 4.320 0.031 0.000 0.297 45 A C -0.032 177.378 177.584 -0.290 0.000 1.060 45 A CA -0.262 51.453 52.037 -0.536 0.000 0.710 45 A CB 0.169 18.461 19.000 -1.180 0.000 1.282 45 A HN 1.078 9.228 8.150 -0.000 0.000 0.399 46 H N 1.710 120.680 119.070 -0.166 0.000 2.353 46 H HA -0.145 4.430 4.556 0.031 0.000 0.298 46 H C 1.622 176.821 175.328 -0.215 0.000 1.103 46 H CA 3.205 59.191 56.048 -0.104 0.000 1.293 46 H CB 0.301 30.035 29.762 -0.047 0.000 1.372 46 H HN 0.510 8.790 8.280 -0.000 0.000 0.501 47 V N 0.165 119.771 119.914 -0.514 0.000 3.078 47 V HA -0.192 3.947 4.120 0.031 0.000 0.265 47 V C 1.172 177.117 176.094 -0.248 0.000 1.122 47 V CA 1.269 63.018 62.300 -0.918 0.000 1.141 47 V CB -0.785 30.197 31.823 -1.402 0.000 0.735 47 V HN 0.506 8.696 8.190 -0.000 0.000 0.498 48 Y N 0.065 120.295 120.300 -0.116 0.000 2.544 48 Y HA 0.172 4.741 4.550 0.033 0.000 0.286 48 Y C 1.771 177.699 175.900 0.048 0.000 1.141 48 Y CA -0.284 57.854 58.100 0.064 0.000 1.299 48 Y CB -0.764 37.787 38.460 0.151 0.000 1.030 48 Y HN 0.443 8.723 8.280 -0.000 0.000 0.543 49 Q N 0.215 120.081 119.800 0.109 0.000 2.494 49 Q HA -0.285 4.073 4.340 0.031 0.000 0.266 49 Q C 0.112 176.170 176.000 0.097 0.000 1.053 49 Q CA 1.017 56.866 55.803 0.078 0.000 1.029 49 Q CB -2.260 26.553 28.738 0.125 0.000 1.423 49 Q HN 0.887 9.157 8.270 -0.000 0.000 0.516 50 N N -2.476 116.296 118.700 0.120 0.000 2.167 50 N HA 0.122 4.880 4.740 0.031 0.000 0.234 50 N C 0.534 176.103 175.510 0.098 0.000 1.312 50 N CA -0.380 52.734 53.050 0.105 0.000 0.861 50 N CB 0.490 39.043 38.487 0.110 0.000 1.217 50 N HN 0.105 8.485 8.380 -0.000 0.000 0.504 51 E N 1.139 121.398 120.200 0.098 0.000 2.150 51 E HA -0.172 4.197 4.350 0.031 0.000 0.193 51 E C 1.195 177.832 176.600 0.062 0.000 0.985 51 E CA 0.831 57.282 56.400 0.084 0.000 0.814 51 E CB -0.036 29.719 29.700 0.091 0.000 0.752 51 E HN 0.336 8.696 8.360 -0.000 0.000 0.466 52 N N 1.388 120.125 118.700 0.062 0.000 2.069 52 N HA -0.203 4.556 4.740 0.031 0.000 0.191 52 N C 1.468 176.998 175.510 0.033 0.000 1.031 52 N CA 1.563 54.639 53.050 0.044 0.000 0.852 52 N CB 0.042 38.556 38.487 0.045 0.000 1.018 52 N HN 0.068 8.447 8.380 -0.000 0.000 0.423 53 E N -0.646 119.575 120.200 0.036 0.000 2.106 53 E HA -0.052 4.317 4.350 0.031 0.000 0.192 53 E C 2.063 178.676 176.600 0.023 0.000 0.984 53 E CA 0.675 57.091 56.400 0.026 0.000 0.806 53 E CB -0.177 29.540 29.700 0.027 0.000 0.750 53 E HN 0.121 8.481 8.360 -0.000 0.000 0.458 54 V N 0.627 120.562 119.914 0.034 0.000 2.343 54 V HA -0.229 3.910 4.120 0.031 0.000 0.247 54 V C 2.268 178.371 176.094 0.015 0.000 1.051 54 V CA 2.064 64.382 62.300 0.029 0.000 1.036 54 V CB -1.102 30.752 31.823 0.052 0.000 0.654 54 V HN 0.459 8.649 8.190 -0.000 0.000 0.451 55 G N -0.299 108.510 108.800 0.014 0.000 2.440 55 G HA2 -0.212 3.766 3.960 0.031 0.000 0.218 55 G HA3 -0.212 3.766 3.960 0.031 0.000 0.218 55 G C 1.674 176.571 174.900 -0.005 0.000 1.154 55 G CA 1.187 46.287 45.100 -0.001 0.000 0.767 55 G HN 0.385 8.675 8.290 -0.000 0.000 0.552 56 V N 1.521 121.436 119.914 0.001 0.000 2.332 56 V HA -0.188 3.951 4.120 0.031 0.000 0.248 56 V C 3.303 179.394 176.094 -0.005 0.000 1.055 56 V CA 2.114 64.413 62.300 -0.001 0.000 1.038 56 V CB -0.864 30.960 31.823 0.002 0.000 0.651 56 V HN 0.499 8.689 8.190 -0.000 0.000 0.450 57 A N -0.104 122.714 122.820 -0.005 0.000 1.873 57 A HA -0.155 4.184 4.320 0.031 0.000 0.215 57 A C 2.176 179.754 177.584 -0.010 0.000 1.186 57 A CA 1.872 53.904 52.037 -0.009 0.000 0.616 57 A CB -0.536 18.457 19.000 -0.012 0.000 0.823 57 A HN 0.485 8.635 8.150 -0.000 0.000 0.442 58 I N -0.574 119.990 120.570 -0.010 0.000 2.163 58 I HA -0.313 3.875 4.170 0.031 0.000 0.243 58 I C 2.788 178.894 176.117 -0.019 0.000 1.085 58 I CA 1.935 63.227 61.300 -0.014 0.000 1.347 58 I CB -0.265 37.723 38.000 -0.021 0.000 1.044 58 I HN 0.426 8.636 8.210 -0.000 0.000 0.408 59 Q N 0.924 120.712 119.800 -0.020 0.000 2.079 59 Q HA -0.219 4.140 4.340 0.031 0.000 0.200 59 Q C 2.040 178.032 176.000 -0.014 0.000 0.974 59 Q CA 1.601 57.392 55.803 -0.020 0.000 0.840 59 Q CB -0.185 28.542 28.738 -0.019 0.000 0.898 59 Q HN 0.283 8.553 8.270 -0.000 0.000 0.430 60 E N 0.164 120.357 120.200 -0.011 0.000 2.085 60 E HA -0.155 4.214 4.350 0.031 0.000 0.194 60 E C 1.682 178.277 176.600 -0.008 0.000 0.994 60 E CA 1.090 57.484 56.400 -0.009 0.000 0.801 60 E CB 0.061 29.757 29.700 -0.008 0.000 0.743 60 E HN 0.271 8.631 8.360 -0.000 0.000 0.453 61 K N 0.204 120.599 120.400 -0.008 0.000 2.228 61 K HA 0.021 4.359 4.320 0.031 0.000 0.202 61 K C 2.373 178.970 176.600 -0.005 0.000 1.051 61 K CA 0.245 56.528 56.287 -0.006 0.000 0.960 61 K CB -0.218 32.278 32.500 -0.005 0.000 0.743 61 K HN 0.194 8.444 8.250 -0.000 0.000 0.458 62 L N 0.599 121.817 121.223 -0.008 0.000 2.027 62 L HA -0.088 4.270 4.340 0.031 0.000 0.206 62 L C 2.812 179.679 176.870 -0.006 0.000 1.074 62 L CA 1.150 55.985 54.840 -0.008 0.000 0.745 62 L CB -0.424 41.626 42.059 -0.015 0.000 0.898 62 L HN 0.153 8.383 8.230 -0.000 0.000 0.433 63 R N 0.836 121.332 120.500 -0.007 0.000 2.096 63 R HA -0.190 4.168 4.340 0.031 0.000 0.235 63 R C 1.809 178.107 176.300 -0.004 0.000 1.127 63 R CA 1.660 57.757 56.100 -0.006 0.000 0.968 63 R CB -0.147 30.149 30.300 -0.006 0.000 0.861 63 R HN 0.430 8.700 8.270 -0.000 0.000 0.440 64 E N 0.463 120.660 120.200 -0.004 0.000 2.478 64 E HA -0.097 4.272 4.350 0.031 0.000 0.198 64 E C -0.112 176.487 176.600 -0.001 0.000 1.046 64 E CA 0.116 56.514 56.400 -0.002 0.000 0.870 64 E CB 0.179 29.878 29.700 -0.003 0.000 0.818 64 E HN 0.329 8.689 8.360 -0.000 0.000 0.527 65 Q N -0.711 119.089 119.800 -0.001 0.000 2.468 65 Q HA -0.216 4.142 4.340 0.031 0.000 0.289 65 Q C 0.897 176.898 176.000 0.002 0.000 1.299 65 Q CA 0.118 55.922 55.803 0.002 0.000 0.838 65 Q CB -1.686 27.053 28.738 0.002 0.000 1.195 65 Q HN 0.211 8.481 8.270 -0.000 0.000 0.456 66 V N -1.321 118.594 119.914 0.001 0.000 2.548 66 V HA -0.046 4.093 4.120 0.031 0.000 0.249 66 V C 0.926 177.023 176.094 0.005 0.000 1.055 66 V CA 1.766 64.067 62.300 0.001 0.000 1.065 66 V CB 0.559 32.381 31.823 -0.002 0.000 0.681 66 V HN 0.355 8.545 8.190 -0.000 0.000 0.462 67 V N -0.799 119.120 119.914 0.007 0.000 3.114 67 V HA 0.443 4.582 4.120 0.031 0.000 0.308 67 V C -1.006 175.097 176.094 0.014 0.000 1.168 67 V CA -1.079 61.229 62.300 0.014 0.000 1.015 67 V CB 2.555 34.390 31.823 0.019 0.000 1.050 67 V HN 0.262 8.452 8.190 -0.000 0.000 0.433 68 K N 2.227 122.639 120.400 0.021 0.000 2.118 68 K HA 0.433 4.771 4.320 0.031 0.000 0.267 68 K C 0.645 177.262 176.600 0.028 0.000 0.991 68 K CA -0.706 55.594 56.287 0.022 0.000 0.916 68 K CB 1.427 33.943 32.500 0.027 0.000 1.041 68 K HN 0.585 8.835 8.250 -0.000 0.000 0.455 69 R N 2.326 122.840 120.500 0.023 0.000 2.117 69 R HA -0.185 4.173 4.340 0.031 0.000 0.243 69 R C 1.602 177.940 176.300 0.064 0.000 1.143 69 R CA 2.044 58.154 56.100 0.016 0.000 0.968 69 R CB -0.180 30.127 30.300 0.013 0.000 0.863 69 R HN 0.763 9.033 8.270 -0.000 0.000 0.444 70 E N 0.159 120.411 120.200 0.087 0.000 2.338 70 E HA -0.179 4.190 4.350 0.031 0.000 0.197 70 E C 0.890 177.548 176.600 0.097 0.000 1.007 70 E CA 1.211 57.675 56.400 0.107 0.000 0.849 70 E CB -0.158 29.586 29.700 0.073 0.000 0.774 70 E HN 0.585 8.945 8.360 -0.000 0.000 0.506 71 E N 0.655 120.903 120.200 0.079 0.000 2.435 71 E HA 0.149 4.518 4.350 0.031 0.000 0.195 71 E C 0.488 177.158 176.600 0.117 0.000 1.029 71 E CA -0.018 56.434 56.400 0.087 0.000 0.865 71 E CB 0.264 30.001 29.700 0.062 0.000 0.833 71 E HN 0.220 8.580 8.360 -0.000 0.000 0.510 72 L N 0.579 121.865 121.223 0.106 0.000 2.360 72 L HA 0.366 4.725 4.340 0.031 0.000 0.271 72 L C -0.589 176.379 176.870 0.163 0.000 1.057 72 L CA -0.757 54.159 54.840 0.127 0.000 0.803 72 L CB 0.915 43.008 42.059 0.057 0.000 1.207 72 L HN -0.042 8.188 8.230 -0.000 0.000 0.445 73 F N 3.864 123.852 119.950 0.062 0.000 2.532 73 F HA 0.467 5.012 4.527 0.031 0.000 0.365 73 F C -0.594 175.234 175.800 0.047 0.000 1.112 73 F CA -0.631 57.385 58.000 0.026 0.000 1.082 73 F CB 0.671 39.651 39.000 -0.033 0.000 1.319 73 F HN 0.078 8.378 8.300 -0.000 0.000 0.457 74 I N 6.452 126.972 120.570 -0.084 0.000 2.354 74 I HA 0.417 4.606 4.170 0.031 0.000 0.292 74 I C -0.473 175.628 176.117 -0.026 0.000 0.989 74 I CA -0.937 60.369 61.300 0.010 0.000 1.188 74 I CB 1.254 39.213 38.000 -0.069 0.000 1.342 74 I HN 0.096 8.306 8.210 -0.000 0.000 0.457 75 V N 5.204 125.198 119.914 0.133 0.000 2.495 75 V HA 0.636 4.774 4.120 0.031 0.000 0.298 75 V C 0.138 176.303 176.094 0.119 0.000 1.031 75 V CA -0.307 62.079 62.300 0.143 0.000 0.871 75 V CB 1.862 33.842 31.823 0.261 0.000 0.988 75 V HN 0.914 9.104 8.190 -0.000 0.000 0.432 76 S N 3.898 119.680 115.700 0.136 0.000 2.806 76 S HA 0.792 5.280 4.470 0.031 0.000 0.306 76 S C -1.474 173.171 174.600 0.075 0.000 1.167 76 S CA -0.811 57.462 58.200 0.122 0.000 0.847 76 S CB 2.090 65.385 63.200 0.158 0.000 1.216 76 S HN 0.716 9.026 8.310 -0.000 0.000 0.532 77 K N 1.067 121.429 120.400 -0.062 0.000 2.501 77 K HA 0.440 4.779 4.320 0.031 0.000 0.252 77 K C -1.692 174.775 176.600 -0.220 0.000 0.934 77 K CA -0.737 55.346 56.287 -0.341 0.000 0.797 77 K CB 1.980 34.186 32.500 -0.490 0.000 1.270 77 K HN 0.449 8.699 8.250 -0.000 0.000 0.431 78 L N 3.541 124.491 121.223 -0.455 0.000 2.369 78 L HA 0.219 4.578 4.340 0.031 0.000 0.279 78 L C -0.228 176.778 176.870 0.227 0.000 1.108 78 L CA -0.030 54.742 54.840 -0.114 0.000 0.852 78 L CB 0.207 42.105 42.059 -0.269 0.000 1.169 78 L HN 0.638 8.868 8.230 -0.000 0.000 0.452 79 W N 5.750 127.170 121.300 0.199 0.000 2.093 79 W HA 0.062 4.747 4.660 0.042 0.000 0.352 79 W C 0.873 177.468 176.519 0.126 0.000 1.294 79 W CA -0.877 56.568 57.345 0.167 0.000 1.290 79 W CB 1.191 30.732 29.460 0.134 0.000 1.149 79 W HN 0.664 8.844 8.180 -0.000 0.000 0.606 80 C N 1.306 119.677 119.300 -1.548 0.000 2.411 80 C HA -0.207 4.272 4.460 0.031 0.000 0.279 80 C C 2.464 176.845 174.990 -1.014 0.000 1.288 80 C CA 1.909 59.903 59.018 -1.707 0.000 1.764 80 C CB -1.743 24.154 27.740 -3.071 0.000 1.974 80 C HN 0.735 8.965 8.230 -0.000 0.000 0.498 81 T N -3.420 110.776 114.554 -0.598 0.000 3.169 81 T HA 0.057 4.425 4.350 0.031 0.000 0.250 81 T C 0.490 174.943 174.700 -0.412 0.000 1.111 81 T CA 0.569 62.460 62.100 -0.348 0.000 1.010 81 T CB -0.512 68.240 68.868 -0.193 0.000 0.984 81 T HN 0.623 8.863 8.240 -0.000 0.000 0.537 82 Y N -0.496 119.842 120.300 0.062 0.000 2.706 82 Y HA 0.421 4.989 4.550 0.030 0.000 0.255 82 Y C 1.688 177.691 175.900 0.171 0.000 1.163 82 Y CA -1.339 56.838 58.100 0.128 0.000 1.174 82 Y CB -0.387 38.159 38.460 0.144 0.000 1.200 82 Y HN 0.405 8.685 8.280 -0.000 0.000 0.544 83 H N -0.247 118.848 119.070 0.042 0.000 2.524 83 H HA -0.023 4.544 4.556 0.018 0.000 0.282 83 H C 0.225 175.589 175.328 0.059 0.000 1.016 83 H CA 0.141 56.210 56.048 0.036 0.000 1.270 83 H CB 0.447 30.200 29.762 -0.016 0.000 1.394 83 H HN 0.289 8.569 8.280 -0.000 0.000 0.568 84 E N 1.264 121.572 120.200 0.180 0.000 2.465 84 E HA -0.045 4.324 4.350 0.031 0.000 0.260 84 E C 1.028 177.691 176.600 0.104 0.000 0.980 84 E CA 0.026 56.498 56.400 0.121 0.000 0.927 84 E CB 0.670 30.429 29.700 0.099 0.000 0.934 84 E HN 0.184 8.544 8.360 -0.000 0.000 0.459 85 K N 2.135 122.581 120.400 0.075 0.000 2.160 85 K HA -0.154 4.184 4.320 0.031 0.000 0.206 85 K C 1.709 178.341 176.600 0.053 0.000 1.047 85 K CA 1.376 57.696 56.287 0.054 0.000 0.930 85 K CB -0.099 32.425 32.500 0.040 0.000 0.720 85 K HN 0.667 8.917 8.250 -0.000 0.000 0.450 86 G N 0.485 109.320 108.800 0.060 0.000 2.744 86 G HA2 -0.073 3.906 3.960 0.031 0.000 0.211 86 G HA3 -0.073 3.906 3.960 0.031 0.000 0.211 86 G C 1.278 176.223 174.900 0.074 0.000 1.143 86 G CA 0.066 45.200 45.100 0.056 0.000 0.788 86 G HN 0.124 8.414 8.290 -0.000 0.000 0.534 87 L N -0.137 121.151 121.223 0.108 0.000 2.609 87 L HA 0.152 4.511 4.340 0.031 0.000 0.230 87 L C 2.472 179.423 176.870 0.136 0.000 1.087 87 L CA -0.119 54.816 54.840 0.159 0.000 0.874 87 L CB 0.345 42.560 42.059 0.260 0.000 1.114 87 L HN 0.005 8.235 8.230 -0.000 0.000 0.488 88 V N 0.586 120.562 119.914 0.105 0.000 2.295 88 V HA -0.297 3.841 4.120 0.031 0.000 0.246 88 V C 2.546 178.657 176.094 0.029 0.000 1.049 88 V CA 1.946 64.298 62.300 0.086 0.000 1.024 88 V CB -0.412 31.451 31.823 0.066 0.000 0.648 88 V HN 0.415 8.605 8.190 -0.000 0.000 0.447 89 K N 0.271 120.672 120.400 0.001 0.000 2.057 89 K HA -0.145 4.193 4.320 0.031 0.000 0.207 89 K C 2.167 178.725 176.600 -0.071 0.000 1.049 89 K CA 1.641 57.902 56.287 -0.044 0.000 0.931 89 K CB -0.632 31.846 32.500 -0.036 0.000 0.714 89 K HN 0.485 8.735 8.250 -0.000 0.000 0.440 90 G N 0.269 109.042 108.800 -0.046 0.000 2.418 90 G HA2 -0.261 3.717 3.960 0.031 0.000 0.217 90 G HA3 -0.261 3.717 3.960 0.031 0.000 0.217 90 G C 1.549 176.358 174.900 -0.151 0.000 1.158 90 G CA 0.909 45.969 45.100 -0.067 0.000 0.771 90 G HN 0.440 8.730 8.290 -0.000 0.000 0.545 91 A N -0.143 122.552 122.820 -0.208 0.000 1.902 91 A HA -0.107 4.231 4.320 0.031 0.000 0.217 91 A C 2.587 180.010 177.584 -0.269 0.000 1.181 91 A CA 1.809 53.591 52.037 -0.424 0.000 0.623 91 A CB -1.209 17.454 19.000 -0.562 0.000 0.818 91 A HN 0.499 8.649 8.150 -0.000 0.000 0.443 92 C N -1.126 118.053 119.300 -0.202 0.000 2.432 92 C HA -0.109 4.369 4.460 0.031 0.000 0.277 92 C C 2.779 177.583 174.990 -0.309 0.000 1.249 92 C CA 1.528 60.302 59.018 -0.406 0.000 1.725 92 C CB -1.184 26.258 27.740 -0.497 0.000 2.028 92 C HN 0.621 8.851 8.230 -0.000 0.000 0.477 93 Q N 0.735 120.407 119.800 -0.214 0.000 2.124 93 Q HA -0.172 4.187 4.340 0.031 0.000 0.202 93 Q C 2.179 178.098 176.000 -0.134 0.000 0.977 93 Q CA 1.702 57.412 55.803 -0.156 0.000 0.850 93 Q CB -0.467 28.205 28.738 -0.110 0.000 0.901 93 Q HN 0.673 8.943 8.270 -0.000 0.000 0.429 94 K N 0.211 120.521 120.400 -0.151 0.000 2.026 94 K HA -0.074 4.265 4.320 0.031 0.000 0.208 94 K C 2.004 178.549 176.600 -0.091 0.000 1.048 94 K CA 1.878 58.092 56.287 -0.121 0.000 0.929 94 K CB -0.690 31.696 32.500 -0.191 0.000 0.713 94 K HN 0.035 8.285 8.250 -0.000 0.000 0.439 95 T N 1.367 115.845 114.554 -0.127 0.000 2.720 95 T HA -0.079 4.289 4.350 0.031 0.000 0.268 95 T C 1.701 176.352 174.700 -0.082 0.000 1.037 95 T CA 1.566 63.627 62.100 -0.064 0.000 1.144 95 T CB -0.224 68.606 68.868 -0.063 0.000 0.864 95 T HN 0.138 8.378 8.240 -0.000 0.000 0.444 96 L N 0.612 121.754 121.223 -0.135 0.000 2.046 96 L HA -0.120 4.239 4.340 0.031 0.000 0.208 96 L C 2.857 179.676 176.870 -0.084 0.000 1.077 96 L CA 1.073 55.837 54.840 -0.127 0.000 0.747 96 L CB -0.509 41.461 42.059 -0.147 0.000 0.896 96 L HN 0.241 8.471 8.230 -0.000 0.000 0.432 97 S N -0.471 115.189 115.700 -0.067 0.000 2.368 97 S HA -0.178 4.311 4.470 0.031 0.000 0.225 97 S C 1.511 176.098 174.600 -0.022 0.000 1.030 97 S CA 1.352 59.527 58.200 -0.041 0.000 0.999 97 S CB -0.244 62.938 63.200 -0.031 0.000 0.844 97 S HN 0.436 8.746 8.310 -0.000 0.000 0.459 98 D N 1.414 121.810 120.400 -0.007 0.000 2.117 98 D HA 0.019 4.678 4.640 0.031 0.000 0.198 98 D C 1.694 177.996 176.300 0.004 0.000 0.982 98 D CA 0.757 54.768 54.000 0.018 0.000 0.828 98 D CB -0.272 40.561 40.800 0.056 0.000 0.967 98 D HN 0.307 8.677 8.370 -0.000 0.000 0.464 99 L N -0.090 121.124 121.223 -0.015 0.000 2.478 99 L HA 0.042 4.401 4.340 0.031 0.000 0.223 99 L C 0.291 177.133 176.870 -0.046 0.000 1.140 99 L CA 0.226 55.050 54.840 -0.027 0.000 0.842 99 L CB -0.245 41.788 42.059 -0.044 0.000 0.953 99 L HN -0.030 8.200 8.230 -0.000 0.000 0.452 100 K N 0.732 121.103 120.400 -0.049 0.000 3.162 100 K HA -0.157 4.181 4.320 0.031 0.000 0.268 100 K C -0.747 175.807 176.600 -0.078 0.000 1.062 100 K CA 0.337 56.594 56.287 -0.051 0.000 0.769 100 K CB -1.637 30.842 32.500 -0.034 0.000 1.274 100 K HN 0.241 8.491 8.250 -0.000 0.000 0.478 101 L N -0.227 120.933 121.223 -0.105 0.000 2.333 101 L HA 0.347 4.705 4.340 0.031 0.000 0.269 101 L C 0.945 177.734 176.870 -0.136 0.000 1.010 101 L CA -0.892 53.850 54.840 -0.162 0.000 0.818 101 L CB 1.494 43.412 42.059 -0.234 0.000 1.306 101 L HN 0.083 8.313 8.230 -0.000 0.000 0.430 102 D N 0.081 120.400 120.400 -0.135 0.000 2.379 102 D HA 0.080 4.739 4.640 0.031 0.000 0.208 102 D C -0.608 175.711 176.300 0.031 0.000 1.065 102 D CA 0.698 54.676 54.000 -0.037 0.000 0.848 102 D CB 0.642 41.460 40.800 0.030 0.000 0.949 102 D HN 0.416 8.786 8.370 -0.000 0.000 0.509 103 Y N -1.346 118.884 120.300 -0.117 0.000 2.597 103 Y HA 0.566 5.134 4.550 0.030 0.000 0.340 103 Y C -1.462 174.338 175.900 -0.166 0.000 1.097 103 Y CA -1.416 56.595 58.100 -0.148 0.000 1.037 103 Y CB 0.828 39.202 38.460 -0.143 0.000 1.305 103 Y HN -0.362 7.918 8.280 -0.000 0.000 0.463 104 L N 2.699 123.877 121.223 -0.074 0.000 2.322 104 L HA 0.337 4.695 4.340 0.031 0.000 0.279 104 L C 0.387 177.228 176.870 -0.049 0.000 1.036 104 L CA -0.583 54.171 54.840 -0.143 0.000 0.807 104 L CB 1.356 43.324 42.059 -0.151 0.000 1.226 104 L HN 0.836 9.066 8.230 -0.000 0.000 0.433 105 D N 1.713 121.963 120.400 -0.249 0.000 2.183 105 D HA -0.011 4.648 4.640 0.031 0.000 0.203 105 D C 0.004 176.050 176.300 -0.424 0.000 0.969 105 D CA 1.412 55.113 54.000 -0.498 0.000 0.842 105 D CB 0.586 40.574 40.800 -1.353 0.000 0.957 105 D HN 0.103 8.473 8.370 -0.000 0.000 0.484 106 L N -0.214 120.862 121.223 -0.246 0.000 2.526 106 L HA 0.307 4.665 4.340 0.031 0.000 0.263 106 L C -2.085 174.844 176.870 0.098 0.000 0.943 106 L CA -0.854 53.972 54.840 -0.022 0.000 0.859 106 L CB 2.168 44.298 42.059 0.119 0.000 1.313 106 L HN -0.248 7.982 8.230 -0.000 0.000 0.406 107 Y N 5.164 125.421 120.300 -0.071 0.000 2.331 107 Y HA 0.729 5.296 4.550 0.030 0.000 0.334 107 Y C -1.340 174.528 175.900 -0.053 0.000 0.960 107 Y CA -1.025 57.030 58.100 -0.074 0.000 1.130 107 Y CB 1.437 39.836 38.460 -0.102 0.000 1.164 107 Y HN 0.562 8.842 8.280 -0.000 0.000 0.458 108 L N 6.392 127.439 121.223 -0.293 0.000 2.331 108 L HA 0.533 4.892 4.340 0.031 0.000 0.275 108 L C -0.311 176.347 176.870 -0.352 0.000 1.022 108 L CA -1.056 53.634 54.840 -0.250 0.000 0.812 108 L CB 1.909 43.858 42.059 -0.184 0.000 1.257 108 L HN 0.498 8.728 8.230 -0.000 0.000 0.435 109 I N 1.607 122.059 120.570 -0.196 0.000 2.505 109 I HA -0.045 4.143 4.170 0.031 0.000 0.287 109 I C 1.282 177.410 176.117 0.018 0.000 1.104 109 I CA 0.156 61.392 61.300 -0.105 0.000 1.387 109 I CB 0.500 38.499 38.000 -0.001 0.000 1.404 109 I HN 0.718 8.928 8.210 -0.000 0.000 0.528 110 H N 5.731 124.776 119.070 -0.042 0.000 2.353 110 H HA -0.057 4.517 4.556 0.030 0.000 0.300 110 H C -0.353 174.852 175.328 -0.206 0.000 1.090 110 H CA 1.133 57.155 56.048 -0.043 0.000 1.327 110 H CB 0.436 30.299 29.762 0.169 0.000 1.383 110 H HN 0.539 8.819 8.280 -0.000 0.000 0.508 111 W N -1.358 120.002 121.300 0.099 0.000 3.107 111 W HA 0.253 4.928 4.660 0.026 0.000 0.331 111 W C -1.827 174.676 176.519 -0.027 0.000 1.204 111 W CA -2.089 55.230 57.345 -0.043 0.000 1.184 111 W CB 1.342 30.580 29.460 -0.371 0.000 1.421 111 W HN -0.164 8.016 8.180 -0.000 0.000 0.544 112 P HA -0.057 4.363 4.420 -0.000 0.000 0.226 112 P C 0.549 177.746 177.300 -0.172 0.000 1.153 112 P CA 1.057 63.930 63.100 -0.380 0.000 0.777 112 P CB -0.044 31.086 31.700 -0.950 0.000 0.794 113 T N -1.518 112.842 114.554 -0.323 0.000 2.761 113 T HA 0.544 4.912 4.350 0.031 0.000 0.296 113 T C 0.673 174.879 174.700 -0.824 0.000 0.934 113 T CA -0.709 60.979 62.100 -0.687 0.000 1.091 113 T CB 1.175 69.478 68.868 -0.942 0.000 0.896 113 T HN 0.013 8.253 8.240 -0.000 0.000 0.515 114 G N 2.723 111.245 108.800 -0.463 0.000 2.348 114 G HA2 0.582 4.561 3.960 0.031 0.000 0.312 114 G HA3 0.582 4.561 3.960 0.031 0.000 0.312 114 G C -0.976 173.888 174.900 -0.060 0.000 1.126 114 G CA -0.656 44.052 45.100 -0.652 0.000 0.865 114 G HN 0.581 8.871 8.290 -0.000 0.000 0.474 115 F N 0.075 119.813 119.950 -0.353 0.000 2.523 115 F HA 0.498 5.039 4.527 0.023 0.000 0.329 115 F C 0.720 176.434 175.800 -0.142 0.000 1.061 115 F CA -2.178 55.701 58.000 -0.201 0.000 0.967 115 F CB 1.822 40.661 39.000 -0.269 0.000 1.218 115 F HN 0.377 8.677 8.300 -0.000 0.000 0.480 116 K N 3.183 123.650 120.400 0.112 0.000 2.504 116 K HA 0.028 4.366 4.320 0.031 0.000 0.278 116 K C -2.496 174.122 176.600 0.030 0.000 1.025 116 K CA -0.848 55.467 56.287 0.047 0.000 1.093 116 K CB 0.133 32.649 32.500 0.027 0.000 0.873 116 K HN 0.188 8.438 8.250 -0.000 0.000 0.483 117 P HA 0.251 4.671 4.420 -0.000 0.000 0.272 117 P C -0.380 176.918 177.300 -0.004 0.000 1.230 117 P CA -0.281 62.796 63.100 -0.038 0.000 0.788 117 P CB 1.265 32.955 31.700 -0.017 0.000 0.949 118 G N 0.320 109.113 108.800 -0.011 0.000 2.359 118 G HA2 -0.002 3.976 3.960 0.031 0.000 0.293 118 G HA3 -0.002 3.976 3.960 0.031 0.000 0.293 118 G C 0.052 174.973 174.900 0.036 0.000 1.300 118 G CA -0.634 44.479 45.100 0.022 0.000 0.888 118 G HN 0.287 8.577 8.290 -0.000 0.000 0.541 119 K N -0.063 120.354 120.400 0.027 0.000 2.097 119 K HA 0.032 4.371 4.320 0.031 0.000 0.205 119 K C 0.496 177.046 176.600 -0.082 0.000 1.050 119 K CA 0.847 57.132 56.287 -0.004 0.000 0.938 119 K CB 0.006 32.496 32.500 -0.016 0.000 0.718 119 K HN 0.392 8.642 8.250 -0.000 0.000 0.442 120 E N 0.671 120.858 120.200 -0.022 0.000 2.324 120 E HA -0.034 4.335 4.350 0.031 0.000 0.271 120 E C 0.570 177.275 176.600 0.175 0.000 1.028 120 E CA 0.129 56.531 56.400 0.003 0.000 0.890 120 E CB 0.456 30.191 29.700 0.058 0.000 1.004 120 E HN 0.047 8.407 8.360 -0.000 0.000 0.431 121 F N 0.935 121.021 119.950 0.227 0.000 2.325 121 F HA 0.025 4.568 4.527 0.028 0.000 0.299 121 F C 0.993 177.032 175.800 0.399 0.000 1.090 121 F CA 0.448 58.645 58.000 0.328 0.000 1.392 121 F CB -0.069 38.970 39.000 0.064 0.000 1.053 121 F HN 0.300 8.600 8.300 -0.000 0.000 0.521 122 F N 1.755 121.972 119.950 0.445 0.000 2.564 122 F HA 0.342 4.891 4.527 0.036 0.000 0.361 122 F C -2.329 173.489 175.800 0.030 0.000 1.161 122 F CA -2.642 55.484 58.000 0.209 0.000 1.198 122 F CB 0.505 39.588 39.000 0.139 0.000 1.424 122 F HN -0.282 8.018 8.300 -0.000 0.000 0.517 123 P HA 0.141 4.561 4.420 -0.000 0.000 0.271 123 P C -0.816 176.470 177.300 -0.023 0.000 1.220 123 P CA -0.102 63.023 63.100 0.041 0.000 0.768 123 P CB 1.757 33.474 31.700 0.028 0.000 0.848 124 L N 3.904 125.124 121.223 -0.005 0.000 2.342 124 L HA 0.403 4.762 4.340 0.031 0.000 0.271 124 L C 0.667 177.520 176.870 -0.027 0.000 1.008 124 L CA -0.425 54.399 54.840 -0.026 0.000 0.818 124 L CB 1.232 43.285 42.059 -0.011 0.000 1.296 124 L HN 0.418 8.648 8.230 -0.000 0.000 0.427 125 D N 0.158 120.535 120.400 -0.038 0.000 2.506 125 D HA 0.230 4.888 4.640 0.031 0.000 0.272 125 D C -0.519 175.765 176.300 -0.027 0.000 1.214 125 D CA -0.501 53.480 54.000 -0.031 0.000 1.067 125 D CB 0.540 41.318 40.800 -0.037 0.000 1.117 125 D HN 0.361 8.731 8.370 -0.000 0.000 0.578 126 E N -1.345 118.841 120.200 -0.023 0.000 1.986 126 E HA 0.394 4.762 4.350 0.031 0.000 0.264 126 E C -0.685 175.901 176.600 -0.023 0.000 1.023 126 E CA -0.220 56.168 56.400 -0.021 0.000 0.834 126 E CB -0.020 29.670 29.700 -0.016 0.000 1.111 126 E HN 0.414 8.774 8.360 -0.000 0.000 0.417 127 S N 2.093 117.777 115.700 -0.028 0.000 2.585 127 S HA 0.175 4.664 4.470 0.031 0.000 0.201 127 S C 0.948 175.525 174.600 -0.038 0.000 0.826 127 S CA 0.373 58.554 58.200 -0.031 0.000 1.552 127 S CB -0.374 62.806 63.200 -0.033 0.000 1.270 127 S HN 0.771 9.081 8.310 -0.000 0.000 0.586 128 G N 2.027 110.803 108.800 -0.041 0.000 2.159 128 G HA2 -0.226 3.753 3.960 0.031 0.000 0.256 128 G HA3 -0.226 3.753 3.960 0.031 0.000 0.256 128 G C -0.320 174.541 174.900 -0.064 0.000 0.977 128 G CA 0.177 45.248 45.100 -0.049 0.000 0.652 128 G HN 0.601 8.891 8.290 -0.000 0.000 0.531 129 N N 0.170 118.831 118.700 -0.065 0.000 2.514 129 N HA 0.365 5.124 4.740 0.031 0.000 0.277 129 N C 0.261 175.711 175.510 -0.100 0.000 1.126 129 N CA -0.207 52.795 53.050 -0.080 0.000 0.978 129 N CB 2.464 40.908 38.487 -0.072 0.000 1.106 129 N HN 0.120 8.500 8.380 -0.000 0.000 0.461 130 V N 2.374 122.204 119.914 -0.140 0.000 2.715 130 V HA 0.004 4.142 4.120 0.031 0.000 0.299 130 V C 0.023 175.999 176.094 -0.198 0.000 1.054 130 V CA -0.302 61.851 62.300 -0.245 0.000 1.077 130 V CB 1.019 32.533 31.823 -0.515 0.000 0.972 130 V HN 0.320 8.510 8.190 -0.000 0.000 0.484 131 V N 9.887 129.693 119.914 -0.180 0.000 2.405 131 V HA 0.259 4.398 4.120 0.031 0.000 0.264 131 V C -2.009 174.046 176.094 -0.064 0.000 1.048 131 V CA -1.260 60.979 62.300 -0.102 0.000 0.966 131 V CB 0.793 32.580 31.823 -0.061 0.000 1.015 131 V HN 0.836 9.026 8.190 -0.000 0.000 0.477 132 P HA 0.221 4.641 4.420 -0.000 0.000 0.274 132 P C -0.283 177.030 177.300 0.022 0.000 1.256 132 P CA -0.283 62.821 63.100 0.006 0.000 0.795 132 P CB 0.678 32.212 31.700 -0.276 0.000 1.038 133 S N -0.299 115.443 115.700 0.071 0.000 2.585 133 S HA 0.153 4.641 4.470 0.031 0.000 0.277 133 S C 0.637 175.253 174.600 0.027 0.000 1.241 133 S CA -0.277 57.950 58.200 0.044 0.000 1.041 133 S CB 0.024 63.250 63.200 0.044 0.000 0.987 133 S HN 0.405 8.715 8.310 -0.000 0.000 0.512 134 D N 1.968 122.381 120.400 0.021 0.000 2.328 134 D HA 0.067 4.725 4.640 0.031 0.000 0.226 134 D C 0.532 176.857 176.300 0.042 0.000 1.066 134 D CA 0.123 54.133 54.000 0.016 0.000 0.861 134 D CB 0.043 40.848 40.800 0.008 0.000 0.912 134 D HN 0.583 8.953 8.370 -0.000 0.000 0.521 135 T N -0.693 113.902 114.554 0.068 0.000 2.884 135 T HA 0.219 4.587 4.350 0.031 0.000 0.298 135 T C 0.280 175.048 174.700 0.114 0.000 0.998 135 T CA -1.016 61.139 62.100 0.092 0.000 1.124 135 T CB 1.078 70.019 68.868 0.121 0.000 0.931 135 T HN 0.169 8.409 8.240 -0.000 0.000 0.531 136 N N 3.096 121.856 118.700 0.099 0.000 2.459 136 N HA 0.255 5.014 4.740 0.031 0.000 0.288 136 N C 1.108 176.689 175.510 0.118 0.000 1.186 136 N CA -1.047 52.064 53.050 0.101 0.000 0.917 136 N CB 1.455 39.983 38.487 0.067 0.000 1.219 136 N HN 0.560 8.940 8.380 -0.000 0.000 0.525 137 I N 0.040 120.676 120.570 0.111 0.000 2.143 137 I HA -0.342 3.847 4.170 0.031 0.000 0.245 137 I C 1.764 177.985 176.117 0.173 0.000 1.068 137 I CA 1.493 62.876 61.300 0.139 0.000 1.326 137 I CB -0.094 37.960 38.000 0.090 0.000 1.028 137 I HN 0.430 8.640 8.210 -0.000 0.000 0.412 138 L N -0.108 121.198 121.223 0.137 0.000 2.093 138 L HA -0.221 4.138 4.340 0.031 0.000 0.208 138 L C 2.092 179.068 176.870 0.176 0.000 1.085 138 L CA 1.793 56.730 54.840 0.161 0.000 0.755 138 L CB -1.238 40.882 42.059 0.101 0.000 0.904 138 L HN 0.248 8.478 8.230 -0.000 0.000 0.435 139 D N -1.243 119.232 120.400 0.124 0.000 2.149 139 D HA -0.113 4.546 4.640 0.031 0.000 0.201 139 D C 2.052 178.407 176.300 0.092 0.000 0.972 139 D CA 1.401 55.459 54.000 0.097 0.000 0.835 139 D CB -0.019 40.826 40.800 0.075 0.000 0.966 139 D HN 0.268 8.638 8.370 -0.000 0.000 0.476 140 T N 0.384 114.998 114.554 0.099 0.000 2.746 140 T HA -0.173 4.195 4.350 0.031 0.000 0.267 140 T C 1.650 176.396 174.700 0.078 0.000 1.039 140 T CA 0.737 62.864 62.100 0.046 0.000 1.142 140 T CB -0.300 68.533 68.868 -0.058 0.000 0.866 140 T HN 0.374 8.614 8.240 -0.000 0.000 0.444 141 W N 1.872 123.160 121.300 -0.021 0.000 2.338 141 W HA -0.163 4.509 4.660 0.020 0.000 0.304 141 W C 2.569 179.094 176.519 0.009 0.000 1.212 141 W CA 1.200 58.538 57.345 -0.011 0.000 1.264 141 W CB -0.395 29.068 29.460 0.005 0.000 1.142 141 W HN 0.306 8.486 8.180 -0.000 0.000 0.512 142 A N 0.833 123.684 122.820 0.051 0.000 1.940 142 A HA -0.128 4.210 4.320 0.031 0.000 0.219 142 A C 2.102 179.622 177.584 -0.108 0.000 1.176 142 A CA 2.603 54.616 52.037 -0.040 0.000 0.631 142 A CB -1.260 17.759 19.000 0.031 0.000 0.814 142 A HN 0.323 8.473 8.150 -0.000 0.000 0.446 143 A N -0.871 121.904 122.820 -0.075 0.000 1.930 143 A HA -0.063 4.276 4.320 0.031 0.000 0.217 143 A C 2.169 179.671 177.584 -0.136 0.000 1.175 143 A CA 1.715 53.709 52.037 -0.072 0.000 0.627 143 A CB -0.447 18.540 19.000 -0.022 0.000 0.815 143 A HN 0.455 8.605 8.150 -0.000 0.000 0.443 144 M N -0.342 119.106 119.600 -0.253 0.000 2.117 144 M HA -0.145 4.354 4.480 0.031 0.000 0.262 144 M C 1.841 177.909 176.300 -0.386 0.000 1.065 144 M CA 1.465 56.553 55.300 -0.352 0.000 1.114 144 M CB -1.396 30.838 32.600 -0.610 0.000 1.361 144 M HN 0.527 8.817 8.290 -0.000 0.000 0.408 145 E N 0.409 120.330 120.200 -0.465 0.000 2.118 145 E HA -0.198 4.171 4.350 0.031 0.000 0.195 145 E C 1.879 178.451 176.600 -0.047 0.000 0.992 145 E CA 1.076 57.361 56.400 -0.191 0.000 0.804 145 E CB -0.150 29.469 29.700 -0.135 0.000 0.741 145 E HN 0.593 8.953 8.360 -0.000 0.000 0.458 146 E N 0.620 120.773 120.200 -0.078 0.000 2.153 146 E HA -0.182 4.187 4.350 0.031 0.000 0.194 146 E C 2.151 178.717 176.600 -0.057 0.000 0.988 146 E CA 0.678 57.053 56.400 -0.042 0.000 0.811 146 E CB -0.088 29.587 29.700 -0.043 0.000 0.746 146 E HN 0.294 8.654 8.360 -0.000 0.000 0.466 147 L N 0.422 121.591 121.223 -0.090 0.000 2.083 147 L HA -0.180 4.179 4.340 0.031 0.000 0.209 147 L C 2.475 179.272 176.870 -0.122 0.000 1.083 147 L CA 0.697 55.474 54.840 -0.105 0.000 0.752 147 L CB -0.510 41.481 42.059 -0.112 0.000 0.899 147 L HN 0.047 8.277 8.230 -0.000 0.000 0.433 148 V N -0.219 119.606 119.914 -0.150 0.000 2.287 148 V HA -0.296 3.843 4.120 0.031 0.000 0.248 148 V C 1.860 177.874 176.094 -0.134 0.000 1.053 148 V CA 1.941 64.116 62.300 -0.208 0.000 1.027 148 V CB -0.502 31.072 31.823 -0.415 0.000 0.646 148 V HN 0.440 8.630 8.190 -0.000 0.000 0.447 149 D N -0.438 119.936 120.400 -0.043 0.000 2.363 149 D HA -0.063 4.595 4.640 0.031 0.000 0.220 149 D C 1.830 178.111 176.300 -0.031 0.000 0.994 149 D CA 0.620 54.620 54.000 0.000 0.000 0.890 149 D CB 0.039 40.874 40.800 0.057 0.000 0.906 149 D HN 0.596 8.966 8.370 -0.000 0.000 0.530 150 E N -0.741 119.427 120.200 -0.053 0.000 2.481 150 E HA 0.247 4.615 4.350 0.031 0.000 0.198 150 E C 1.153 177.711 176.600 -0.070 0.000 1.027 150 E CA 0.142 56.509 56.400 -0.055 0.000 0.900 150 E CB 0.829 30.497 29.700 -0.055 0.000 0.993 150 E HN 0.156 8.516 8.360 -0.000 0.000 0.482 151 G N 1.333 110.079 108.800 -0.090 0.000 2.159 151 G HA2 -0.305 3.674 3.960 0.031 0.000 0.256 151 G HA3 -0.305 3.674 3.960 0.031 0.000 0.256 151 G C 0.864 175.710 174.900 -0.089 0.000 0.977 151 G CA 0.304 45.342 45.100 -0.103 0.000 0.652 151 G HN 0.295 8.585 8.290 -0.000 0.000 0.531 152 L N -0.300 120.866 121.223 -0.095 0.000 2.341 152 L HA 0.295 4.654 4.340 0.031 0.000 0.214 152 L C 1.352 178.166 176.870 -0.094 0.000 1.115 152 L CA 1.389 56.172 54.840 -0.095 0.000 0.820 152 L CB 0.032 42.006 42.059 -0.143 0.000 0.944 152 L HN 0.552 8.782 8.230 -0.000 0.000 0.452 153 V N -4.995 114.851 119.914 -0.114 0.000 2.888 153 V HA 0.381 4.520 4.120 0.031 0.000 0.309 153 V C 0.340 176.352 176.094 -0.137 0.000 1.114 153 V CA -0.938 61.299 62.300 -0.104 0.000 0.940 153 V CB 2.221 33.972 31.823 -0.119 0.000 1.021 153 V HN -0.079 8.111 8.190 -0.000 0.000 0.426 154 K N 2.249 122.573 120.400 -0.127 0.000 2.262 154 K HA 0.533 4.872 4.320 0.031 0.000 0.200 154 K C 0.611 177.111 176.600 -0.168 0.000 1.049 154 K CA 1.389 57.568 56.287 -0.180 0.000 0.979 154 K CB 0.649 33.039 32.500 -0.185 0.000 0.773 154 K HN 1.147 9.397 8.250 -0.000 0.000 0.474 155 A N 1.310 124.056 122.820 -0.122 0.000 2.549 155 A HA 0.672 5.011 4.320 0.031 0.000 0.297 155 A C -0.769 176.790 177.584 -0.042 0.000 1.061 155 A CA -0.909 51.081 52.037 -0.077 0.000 0.690 155 A CB 1.219 20.225 19.000 0.010 0.000 1.287 155 A HN 0.184 8.334 8.150 -0.000 0.000 0.402 156 I N -0.814 119.740 120.570 -0.027 0.000 2.740 156 I HA 1.006 5.194 4.170 0.031 0.000 0.303 156 I C 0.182 176.413 176.117 0.191 0.000 1.044 156 I CA -0.821 60.478 61.300 -0.002 0.000 1.064 156 I CB 2.321 40.162 38.000 -0.266 0.000 1.249 156 I HN 0.910 9.120 8.210 -0.000 0.000 0.433 157 G N 3.725 112.648 108.800 0.204 0.000 2.706 157 G HA2 0.707 4.686 3.960 0.031 0.000 0.307 157 G HA3 0.707 4.686 3.960 0.031 0.000 0.307 157 G C -1.271 173.641 174.900 0.020 0.000 1.307 157 G CA -0.819 44.380 45.100 0.165 0.000 0.790 157 G HN 0.985 9.275 8.290 -0.000 0.000 0.503 158 I N -2.951 117.477 120.570 -0.235 0.000 3.145 158 I HA 0.913 5.102 4.170 0.031 0.000 0.313 158 I C -0.890 175.032 176.117 -0.326 0.000 1.122 158 I CA -1.128 59.837 61.300 -0.560 0.000 0.987 158 I CB 2.204 39.379 38.000 -1.376 0.000 1.236 158 I HN 0.658 8.868 8.210 -0.000 0.000 0.453 159 S N 1.794 117.366 115.700 -0.213 0.000 2.543 159 S HA 0.404 4.892 4.470 0.031 0.000 0.271 159 S C -0.402 174.210 174.600 0.020 0.000 1.148 159 S CA -0.495 57.665 58.200 -0.067 0.000 0.914 159 S CB 0.838 63.967 63.200 -0.120 0.000 1.096 159 S HN 0.933 9.243 8.310 -0.000 0.000 0.471 160 N N 1.243 119.938 118.700 -0.008 0.000 2.741 160 N HA -0.152 4.606 4.740 0.031 0.000 0.250 160 N C -1.150 174.417 175.510 0.094 0.000 1.115 160 N CA 0.871 53.892 53.050 -0.048 0.000 0.724 160 N CB -1.407 36.670 38.487 -0.685 0.000 1.090 160 N HN 0.448 8.828 8.380 -0.000 0.000 0.558 161 F N 1.942 121.835 119.950 -0.096 0.000 2.420 161 F HA 0.245 4.789 4.527 0.028 0.000 0.352 161 F C 1.422 177.203 175.800 -0.032 0.000 1.108 161 F CA -1.200 56.750 58.000 -0.084 0.000 1.162 161 F CB 0.602 39.544 39.000 -0.096 0.000 1.118 161 F HN 0.082 8.382 8.300 -0.000 0.000 0.510 162 N N 1.529 120.255 118.700 0.043 0.000 2.379 162 N HA 0.006 4.764 4.740 0.031 0.000 0.260 162 N C 1.325 176.835 175.510 -0.000 0.000 1.254 162 N CA -0.145 52.925 53.050 0.033 0.000 0.958 162 N CB -0.052 38.411 38.487 -0.040 0.000 1.208 162 N HN 0.597 8.977 8.380 -0.000 0.000 0.532 163 H N -0.041 118.886 119.070 -0.238 0.000 2.319 163 H HA -0.087 4.487 4.556 0.031 0.000 0.297 163 H C 1.455 176.575 175.328 -0.347 0.000 1.097 163 H CA 1.950 57.770 56.048 -0.381 0.000 1.285 163 H CB -0.106 29.137 29.762 -0.867 0.000 1.368 163 H HN 0.544 8.824 8.280 -0.000 0.000 0.495 164 L N 0.256 121.424 121.223 -0.091 0.000 2.141 164 L HA -0.168 4.190 4.340 0.031 0.000 0.209 164 L C 2.794 179.617 176.870 -0.078 0.000 1.094 164 L CA 1.145 55.945 54.840 -0.067 0.000 0.763 164 L CB -0.289 41.722 42.059 -0.081 0.000 0.908 164 L HN 0.364 8.594 8.230 -0.000 0.000 0.437 165 Q N -0.949 118.808 119.800 -0.072 0.000 2.187 165 Q HA -0.108 4.251 4.340 0.031 0.000 0.199 165 Q C 2.326 178.388 176.000 0.103 0.000 0.957 165 Q CA 0.909 56.693 55.803 -0.033 0.000 0.857 165 Q CB 0.049 28.675 28.738 -0.186 0.000 0.929 165 Q HN 0.326 8.596 8.270 -0.000 0.000 0.453 166 V N 1.439 121.409 119.914 0.094 0.000 2.261 166 V HA -0.295 3.844 4.120 0.031 0.000 0.246 166 V C 2.209 178.306 176.094 0.005 0.000 1.047 166 V CA 2.209 64.546 62.300 0.062 0.000 1.015 166 V CB -0.615 31.274 31.823 0.110 0.000 0.642 166 V HN 0.427 8.617 8.190 -0.000 0.000 0.446 167 E N -0.258 119.923 120.200 -0.033 0.000 2.130 167 E HA -0.261 4.108 4.350 0.031 0.000 0.196 167 E C 2.276 178.859 176.600 -0.029 0.000 0.998 167 E CA 1.652 58.038 56.400 -0.024 0.000 0.806 167 E CB -0.113 29.508 29.700 -0.132 0.000 0.738 167 E HN 0.475 8.835 8.360 -0.000 0.000 0.459 168 M N 0.350 119.930 119.600 -0.034 0.000 2.159 168 M HA -0.165 4.334 4.480 0.031 0.000 0.263 168 M C 2.330 178.597 176.300 -0.054 0.000 1.063 168 M CA 1.038 56.321 55.300 -0.029 0.000 1.110 168 M CB -0.429 32.159 32.600 -0.020 0.000 1.374 168 M HN 0.275 8.565 8.290 -0.000 0.000 0.411 169 I N 0.398 120.906 120.570 -0.103 0.000 2.202 169 I HA -0.262 3.927 4.170 0.031 0.000 0.242 169 I C 2.417 178.406 176.117 -0.213 0.000 1.091 169 I CA 1.327 62.475 61.300 -0.253 0.000 1.368 169 I CB -0.941 36.742 38.000 -0.528 0.000 1.058 169 I HN 0.314 8.524 8.210 -0.000 0.000 0.410 170 L N 0.804 121.934 121.223 -0.154 0.000 2.127 170 L HA -0.219 4.140 4.340 0.031 0.000 0.211 170 L C 1.396 178.235 176.870 -0.051 0.000 1.089 170 L CA 1.273 56.054 54.840 -0.098 0.000 0.757 170 L CB -0.611 41.412 42.059 -0.060 0.000 0.899 170 L HN 0.345 8.575 8.230 -0.000 0.000 0.434 171 N N -0.068 118.609 118.700 -0.037 0.000 2.268 171 N HA 0.013 4.772 4.740 0.031 0.000 0.204 171 N C 0.309 175.813 175.510 -0.011 0.000 1.124 171 N CA 0.144 53.185 53.050 -0.015 0.000 0.838 171 N CB 0.116 38.601 38.487 -0.003 0.000 0.994 171 N HN 0.264 8.644 8.380 -0.000 0.000 0.489 172 K N 2.258 122.647 120.400 -0.018 0.000 2.451 172 K HA 0.099 4.437 4.320 0.031 0.000 0.280 172 K C -2.437 174.175 176.600 0.020 0.000 1.020 172 K CA -1.115 55.178 56.287 0.009 0.000 1.008 172 K CB 0.470 32.988 32.500 0.031 0.000 0.917 172 K HN -0.136 8.114 8.250 -0.000 0.000 0.478 173 P HA 0.006 4.426 4.420 -0.000 0.000 0.263 173 P C 0.043 177.356 177.300 0.022 0.000 1.195 173 P CA 0.790 63.901 63.100 0.018 0.000 0.762 173 P CB 0.713 32.424 31.700 0.017 0.000 0.799 174 G N 2.254 111.060 108.800 0.011 0.000 2.153 174 G HA2 -0.284 3.695 3.960 0.031 0.000 0.252 174 G HA3 -0.284 3.695 3.960 0.031 0.000 0.252 174 G C 0.038 174.942 174.900 0.006 0.000 0.994 174 G CA -0.293 44.808 45.100 0.002 0.000 0.698 174 G HN 0.603 8.893 8.290 -0.000 0.000 0.521 175 L N 0.148 121.387 121.223 0.026 0.000 2.640 175 L HA 0.372 4.730 4.340 0.031 0.000 0.280 175 L C 1.488 178.351 176.870 -0.011 0.000 1.229 175 L CA 1.873 56.748 54.840 0.059 0.000 0.919 175 L CB 0.578 42.669 42.059 0.054 0.000 1.168 175 L HN 0.303 8.533 8.230 -0.000 0.000 0.496 176 K N 3.406 123.772 120.400 -0.056 0.000 2.262 176 K HA 0.112 4.450 4.320 0.031 0.000 0.200 176 K C -0.663 175.634 176.600 -0.505 0.000 1.058 176 K CA 0.210 56.288 56.287 -0.349 0.000 0.974 176 K CB 0.298 32.486 32.500 -0.519 0.000 0.910 176 K HN 0.573 8.823 8.250 -0.000 0.000 0.484 177 Y N 1.588 121.985 120.300 0.161 0.000 2.361 177 Y HA 0.352 4.919 4.550 0.030 0.000 0.337 177 Y C -0.687 175.416 175.900 0.339 0.000 0.965 177 Y CA -1.246 56.961 58.100 0.178 0.000 1.091 177 Y CB 1.556 40.074 38.460 0.097 0.000 1.182 177 Y HN -0.215 8.065 8.280 -0.000 0.000 0.450 178 K N 4.281 124.882 120.400 0.335 0.000 2.258 178 K HA 0.231 4.570 4.320 0.031 0.000 0.264 178 K C -2.479 174.295 176.600 0.290 0.000 1.007 178 K CA -1.628 54.779 56.287 0.199 0.000 0.941 178 K CB 0.022 32.561 32.500 0.064 0.000 0.966 178 K HN 0.315 8.565 8.250 -0.000 0.000 0.480 179 P HA -0.072 4.348 4.420 -0.000 0.000 0.265 179 P C -0.469 176.868 177.300 0.062 0.000 1.193 179 P CA 0.240 63.384 63.100 0.074 0.000 0.765 179 P CB 1.008 32.516 31.700 -0.319 0.000 0.823 180 A N 3.440 126.321 122.820 0.102 0.000 2.021 180 A HA 0.180 4.519 4.320 0.031 0.000 0.216 180 A C 0.756 178.347 177.584 0.012 0.000 1.163 180 A CA 1.101 53.169 52.037 0.051 0.000 0.676 180 A CB 0.072 19.116 19.000 0.074 0.000 0.818 180 A HN 0.434 8.584 8.150 -0.000 0.000 0.453 181 V N 0.018 119.934 119.914 0.003 0.000 2.888 181 V HA 0.283 4.421 4.120 0.031 0.000 0.309 181 V C -0.996 175.060 176.094 -0.064 0.000 1.114 181 V CA -0.914 61.376 62.300 -0.018 0.000 0.940 181 V CB 1.954 33.788 31.823 0.018 0.000 1.021 181 V HN 0.492 8.682 8.190 -0.000 0.000 0.426 182 N N 2.886 121.548 118.700 -0.062 0.000 2.479 182 N HA 0.367 5.126 4.740 0.031 0.000 0.261 182 N C -0.797 174.699 175.510 -0.023 0.000 0.979 182 N CA -0.433 52.573 53.050 -0.074 0.000 0.930 182 N CB 1.421 39.874 38.487 -0.057 0.000 1.172 182 N HN 0.795 9.175 8.380 -0.000 0.000 0.499 183 Q N 5.751 125.548 119.800 -0.004 0.000 2.331 183 Q HA 0.406 4.764 4.340 0.031 0.000 0.257 183 Q C -0.826 175.230 176.000 0.093 0.000 0.957 183 Q CA -0.548 55.297 55.803 0.069 0.000 0.923 183 Q CB 0.694 29.498 28.738 0.110 0.000 1.212 183 Q HN 0.673 8.943 8.270 -0.000 0.000 0.443 184 I N -0.227 120.329 120.570 -0.024 0.000 2.969 184 I HA 0.547 4.736 4.170 0.031 0.000 0.307 184 I C -0.668 174.977 176.117 -0.787 0.000 1.149 184 I CA -1.240 59.897 61.300 -0.272 0.000 1.008 184 I CB 2.084 40.001 38.000 -0.137 0.000 1.232 184 I HN 0.534 8.744 8.210 -0.000 0.000 0.435 185 E N 2.596 122.033 120.200 -1.273 0.000 2.384 185 E HA 0.294 4.663 4.350 0.031 0.000 0.266 185 E C -1.457 174.844 176.600 -0.498 0.000 1.012 185 E CA -0.131 55.607 56.400 -1.103 0.000 0.901 185 E CB 1.004 30.291 29.700 -0.689 0.000 0.967 185 E HN 0.744 9.104 8.360 -0.000 0.000 0.435 186 C N 6.746 125.861 119.300 -0.308 0.000 3.046 186 C HA 0.512 4.991 4.460 0.031 0.000 0.388 186 C C -1.580 173.356 174.990 -0.090 0.000 1.041 186 C CA -0.302 58.553 59.018 -0.272 0.000 1.241 186 C CB 0.447 28.082 27.740 -0.175 0.000 1.638 186 C HN 1.001 9.231 8.230 -0.000 0.000 0.539 187 H N 2.269 121.426 119.070 0.146 0.000 2.904 187 H HA 0.318 4.892 4.556 0.031 0.000 0.290 187 H C -2.931 172.566 175.328 0.281 0.000 1.437 187 H CA -1.027 55.157 56.048 0.227 0.000 1.147 187 H CB 0.552 30.415 29.762 0.168 0.000 1.824 187 H HN 0.125 8.405 8.280 -0.000 0.000 0.505 188 P HA -0.100 4.320 4.420 -0.000 0.000 0.222 188 P C 0.666 178.203 177.300 0.395 0.000 1.147 188 P CA 1.286 64.514 63.100 0.214 0.000 0.790 188 P CB -0.092 31.560 31.700 -0.080 0.000 0.780 189 Y N -1.654 118.945 120.300 0.500 0.000 2.529 189 Y HA 0.285 4.853 4.550 0.031 0.000 0.290 189 Y C 1.051 177.185 175.900 0.389 0.000 1.177 189 Y CA -0.356 58.021 58.100 0.462 0.000 1.305 189 Y CB -0.440 38.332 38.460 0.520 0.000 1.047 189 Y HN -0.103 8.177 8.280 -0.000 0.000 0.522 190 L N 0.178 121.565 121.223 0.274 0.000 2.440 190 L HA 0.260 4.619 4.340 0.031 0.000 0.261 190 L C 0.841 177.652 176.870 -0.098 0.000 1.382 190 L CA 0.082 54.910 54.840 -0.021 0.000 0.871 190 L CB 0.195 42.098 42.059 -0.260 0.000 1.052 190 L HN 0.050 8.280 8.230 -0.000 0.000 0.509 191 T N -2.189 112.387 114.554 0.036 0.000 3.043 191 T HA 0.014 4.382 4.350 0.031 0.000 0.263 191 T C 0.712 175.393 174.700 -0.032 0.000 1.094 191 T CA 0.558 62.686 62.100 0.046 0.000 1.127 191 T CB -0.123 68.815 68.868 0.116 0.000 0.905 191 T HN 0.531 8.771 8.240 -0.000 0.000 0.490 192 Q N 0.036 119.810 119.800 -0.044 0.000 2.481 192 Q HA -0.232 4.126 4.340 0.031 0.000 0.272 192 Q C 0.633 176.591 176.000 -0.070 0.000 1.157 192 Q CA 0.980 56.750 55.803 -0.055 0.000 0.935 192 Q CB -1.799 26.896 28.738 -0.072 0.000 1.338 192 Q HN 0.682 8.952 8.270 -0.000 0.000 0.494 193 E N 0.580 120.729 120.200 -0.085 0.000 2.085 193 E HA -0.202 4.167 4.350 0.031 0.000 0.194 193 E C 1.647 178.162 176.600 -0.142 0.000 0.994 193 E CA 1.948 58.289 56.400 -0.098 0.000 0.801 193 E CB 0.085 29.733 29.700 -0.087 0.000 0.743 193 E HN 0.400 8.760 8.360 -0.000 0.000 0.453 194 K N 0.075 120.300 120.400 -0.290 0.000 2.025 194 K HA -0.094 4.245 4.320 0.031 0.000 0.207 194 K C 1.957 178.436 176.600 -0.201 0.000 1.049 194 K CA 0.763 56.733 56.287 -0.530 0.000 0.933 194 K CB -0.371 31.208 32.500 -1.535 0.000 0.714 194 K HN 0.023 8.273 8.250 -0.000 0.000 0.438 195 L N 1.062 122.294 121.223 0.016 0.000 2.093 195 L HA -0.015 4.344 4.340 0.031 0.000 0.208 195 L C 1.812 178.814 176.870 0.221 0.000 1.085 195 L CA 1.485 56.556 54.840 0.385 0.000 0.755 195 L CB -0.235 42.058 42.059 0.390 0.000 0.904 195 L HN 0.179 8.409 8.230 -0.000 0.000 0.435 196 I N -0.701 119.915 120.570 0.077 0.000 2.226 196 I HA -0.297 3.892 4.170 0.031 0.000 0.245 196 I C 2.523 178.656 176.117 0.027 0.000 1.100 196 I CA 1.405 62.720 61.300 0.025 0.000 1.374 196 I CB -0.276 37.701 38.000 -0.039 0.000 1.057 196 I HN 0.408 8.618 8.210 -0.000 0.000 0.413 197 Q N 0.697 120.517 119.800 0.033 0.000 2.084 197 Q HA -0.288 4.070 4.340 0.031 0.000 0.202 197 Q C 2.164 178.214 176.000 0.083 0.000 0.978 197 Q CA 1.965 57.788 55.803 0.034 0.000 0.844 197 Q CB -0.701 28.050 28.738 0.022 0.000 0.898 197 Q HN 0.563 8.833 8.270 -0.000 0.000 0.426 198 Y N -0.107 120.240 120.300 0.078 0.000 2.114 198 Y HA -0.254 4.314 4.550 0.030 0.000 0.284 198 Y C 2.229 178.139 175.900 0.015 0.000 1.143 198 Y CA 1.752 59.911 58.100 0.098 0.000 1.135 198 Y CB -0.779 37.829 38.460 0.247 0.000 0.980 198 Y HN 0.311 8.591 8.280 -0.000 0.000 0.499 199 C N 0.646 119.931 119.300 -0.025 0.000 2.413 199 C HA -0.234 4.244 4.460 0.031 0.000 0.276 199 C C 2.639 177.524 174.990 -0.176 0.000 1.236 199 C CA 1.655 60.586 59.018 -0.144 0.000 1.735 199 C CB -1.208 26.522 27.740 -0.017 0.000 2.031 199 C HN 0.641 8.871 8.230 -0.000 0.000 0.474 200 Q N 0.862 120.598 119.800 -0.106 0.000 2.167 200 Q HA -0.144 4.215 4.340 0.031 0.000 0.202 200 Q C 2.307 178.235 176.000 -0.120 0.000 0.970 200 Q CA 1.816 57.560 55.803 -0.098 0.000 0.855 200 Q CB -0.304 28.392 28.738 -0.069 0.000 0.911 200 Q HN 0.864 9.134 8.270 -0.000 0.000 0.438 201 S N 0.363 115.976 115.700 -0.144 0.000 2.474 201 S HA -0.042 4.447 4.470 0.031 0.000 0.235 201 S C 1.503 175.988 174.600 -0.191 0.000 0.997 201 S CA 0.665 58.780 58.200 -0.141 0.000 0.949 201 S CB 0.109 63.242 63.200 -0.111 0.000 0.766 201 S HN 0.110 8.420 8.310 -0.000 0.000 0.517 202 K N 0.734 120.964 120.400 -0.282 0.000 2.387 202 K HA 0.298 4.637 4.320 0.031 0.000 0.198 202 K C 1.245 177.747 176.600 -0.165 0.000 1.022 202 K CA 0.514 56.643 56.287 -0.262 0.000 1.128 202 K CB -0.040 32.208 32.500 -0.421 0.000 0.853 202 K HN 0.557 8.807 8.250 -0.000 0.000 0.523 203 G N 1.966 110.688 108.800 -0.130 0.000 2.143 203 G HA2 -0.257 3.722 3.960 0.031 0.000 0.248 203 G HA3 -0.257 3.722 3.960 0.031 0.000 0.248 203 G C 0.102 174.954 174.900 -0.079 0.000 0.991 203 G CA -0.054 44.994 45.100 -0.086 0.000 0.689 203 G HN 0.308 8.598 8.290 -0.000 0.000 0.522 204 I N 1.012 121.520 120.570 -0.102 0.000 2.325 204 I HA 0.352 4.541 4.170 0.031 0.000 0.291 204 I C 0.847 176.922 176.117 -0.071 0.000 1.019 204 I CA -0.964 60.284 61.300 -0.086 0.000 1.302 204 I CB 1.543 39.476 38.000 -0.112 0.000 1.401 204 I HN -0.131 8.079 8.210 -0.000 0.000 0.485 205 V N 7.598 127.481 119.914 -0.053 0.000 2.583 205 V HA 0.153 4.291 4.120 0.031 0.000 0.287 205 V C 0.291 176.360 176.094 -0.041 0.000 1.051 205 V CA -0.413 61.857 62.300 -0.049 0.000 1.010 205 V CB 1.606 33.401 31.823 -0.048 0.000 0.988 205 V HN 0.383 8.573 8.190 -0.000 0.000 0.478 206 V N 4.317 124.205 119.914 -0.042 0.000 2.427 206 V HA 0.376 4.514 4.120 0.031 0.000 0.286 206 V C 0.336 176.418 176.094 -0.020 0.000 1.034 206 V CA -0.316 61.964 62.300 -0.033 0.000 0.893 206 V CB 1.905 33.703 31.823 -0.042 0.000 0.982 206 V HN 0.965 9.155 8.190 -0.000 0.000 0.452 207 T N 4.396 118.955 114.554 0.009 0.000 2.794 207 T HA 0.617 4.986 4.350 0.031 0.000 0.280 207 T C 0.098 174.825 174.700 0.045 0.000 0.987 207 T CA -0.236 61.894 62.100 0.050 0.000 0.993 207 T CB 1.429 70.365 68.868 0.113 0.000 0.939 207 T HN 0.873 9.113 8.240 -0.000 0.000 0.449 208 A N 3.791 126.635 122.820 0.041 0.000 2.269 208 A HA 0.632 4.971 4.320 0.031 0.000 0.302 208 A C -0.429 177.245 177.584 0.149 0.000 1.266 208 A CA -0.688 51.362 52.037 0.023 0.000 0.894 208 A CB -0.160 18.836 19.000 -0.006 0.000 1.147 208 A HN 0.811 8.961 8.150 -0.000 0.000 0.537 209 Y N 1.124 121.486 120.300 0.104 0.000 2.519 209 Y HA 0.573 5.141 4.550 0.030 0.000 0.324 209 Y C 0.551 176.581 175.900 0.217 0.000 1.214 209 Y CA -1.514 56.679 58.100 0.154 0.000 1.260 209 Y CB 0.304 38.855 38.460 0.151 0.000 1.311 209 Y HN 0.777 9.057 8.280 -0.000 0.000 0.505 210 S N 1.538 117.593 115.700 0.593 0.000 3.477 210 S HA -0.129 4.360 4.470 0.031 0.000 0.371 210 S C -1.810 173.013 174.600 0.371 0.000 0.965 210 S CA 0.679 59.161 58.200 0.471 0.000 1.239 210 S CB -1.323 62.225 63.200 0.579 0.000 0.918 210 S HN 0.841 9.151 8.310 -0.000 0.000 0.498 211 P HA 0.010 4.430 4.420 -0.000 0.000 0.226 211 P C 0.898 178.307 177.300 0.182 0.000 1.153 211 P CA 0.702 63.952 63.100 0.250 0.000 0.777 211 P CB 0.028 31.840 31.700 0.185 0.000 0.794 212 L N -1.800 119.505 121.223 0.136 0.000 2.640 212 L HA 0.369 4.727 4.340 0.031 0.000 0.230 212 L C 1.388 178.277 176.870 0.032 0.000 1.123 212 L CA 0.509 55.389 54.840 0.066 0.000 0.900 212 L CB -0.686 41.410 42.059 0.062 0.000 1.146 212 L HN 0.055 8.285 8.230 -0.000 0.000 0.484 213 G N -0.014 108.815 108.800 0.048 0.000 2.136 213 G HA2 -0.324 3.655 3.960 0.031 0.000 0.242 213 G HA3 -0.324 3.655 3.960 0.031 0.000 0.242 213 G C 0.513 175.530 174.900 0.194 0.000 0.989 213 G CA 0.342 45.495 45.100 0.088 0.000 0.682 213 G HN 0.286 8.576 8.290 -0.000 0.000 0.522 214 S N -0.275 115.514 115.700 0.149 0.000 3.447 214 S HA -0.149 4.340 4.470 0.031 0.000 0.371 214 S C 0.118 174.722 174.600 0.007 0.000 0.951 214 S CA 1.064 59.311 58.200 0.079 0.000 1.269 214 S CB -0.299 62.994 63.200 0.155 0.000 0.919 214 S HN 0.639 8.949 8.310 -0.000 0.000 0.516 215 P HA -0.089 4.331 4.420 -0.000 0.000 0.223 215 P C 0.720 177.963 177.300 -0.095 0.000 1.144 215 P CA 1.463 64.550 63.100 -0.021 0.000 0.783 215 P CB -0.157 31.532 31.700 -0.020 0.000 0.771 216 D N -0.787 119.509 120.400 -0.172 0.000 2.368 216 D HA -0.028 4.631 4.640 0.031 0.000 0.218 216 D C 0.602 176.662 176.300 -0.400 0.000 1.112 216 D CA -0.324 53.527 54.000 -0.249 0.000 0.834 216 D CB -0.596 40.052 40.800 -0.253 0.000 0.953 216 D HN 0.236 8.606 8.370 -0.000 0.000 0.505 217 R N 0.912 121.146 120.500 -0.443 0.000 2.623 217 R HA 0.152 4.511 4.340 0.031 0.000 0.271 217 R C -1.669 174.227 176.300 -0.674 0.000 1.043 217 R CA -0.843 54.808 56.100 -0.748 0.000 1.083 217 R CB -0.273 29.535 30.300 -0.819 0.000 0.974 217 R HN -0.153 8.117 8.270 -0.000 0.000 0.436 218 P HA -0.114 4.306 4.420 -0.000 0.000 0.222 218 P C 0.096 177.331 177.300 -0.108 0.000 1.147 218 P CA 1.082 63.994 63.100 -0.312 0.000 0.790 218 P CB -0.077 31.547 31.700 -0.127 0.000 0.780 219 W N -1.313 120.034 121.300 0.078 0.000 3.102 219 W HA 0.713 5.392 4.660 0.032 0.000 0.401 219 W C 0.161 176.745 176.519 0.108 0.000 1.070 219 W CA -1.052 56.346 57.345 0.087 0.000 1.921 219 W CB -1.244 28.277 29.460 0.101 0.000 1.118 219 W HN -0.144 8.036 8.180 -0.000 0.000 0.647 220 A N 2.128 124.980 122.820 0.054 0.000 2.536 220 A HA 0.381 4.720 4.320 0.031 0.000 0.234 220 A C 0.030 177.715 177.584 0.167 0.000 1.076 220 A CA 0.299 52.418 52.037 0.137 0.000 0.769 220 A CB 0.242 19.264 19.000 0.036 0.000 1.020 220 A HN 0.380 8.530 8.150 -0.000 0.000 0.508 221 K N 1.201 121.707 120.400 0.176 0.000 2.468 221 K HA 0.469 4.808 4.320 0.031 0.000 0.252 221 K C -2.336 174.315 176.600 0.086 0.000 0.932 221 K CA -1.722 54.646 56.287 0.135 0.000 0.794 221 K CB 2.310 34.911 32.500 0.168 0.000 1.241 221 K HN 0.284 8.534 8.250 -0.000 0.000 0.428 222 P HA -0.193 4.227 4.420 -0.000 0.000 0.217 222 P C 0.356 177.657 177.300 0.002 0.000 1.150 222 P CA 1.012 64.125 63.100 0.021 0.000 0.832 222 P CB 0.236 31.945 31.700 0.015 0.000 0.787 223 E N -0.632 119.574 120.200 0.009 0.000 2.516 223 E HA -0.068 4.301 4.350 0.031 0.000 0.199 223 E C -0.176 176.397 176.600 -0.046 0.000 1.069 223 E CA 0.595 56.987 56.400 -0.013 0.000 0.876 223 E CB -0.753 28.953 29.700 0.009 0.000 0.843 223 E HN 0.249 8.609 8.360 -0.000 0.000 0.530 224 D N 3.456 123.836 120.400 -0.033 0.000 2.341 224 D HA 0.172 4.831 4.640 0.031 0.000 0.245 224 D C -1.929 174.201 176.300 -0.284 0.000 1.106 224 D CA -1.767 52.168 54.000 -0.109 0.000 0.905 224 D CB 0.644 41.480 40.800 0.059 0.000 1.202 224 D HN 0.057 8.427 8.370 -0.000 0.000 0.426 225 P HA 0.026 4.446 4.420 -0.000 0.000 0.269 225 P C -0.665 176.432 177.300 -0.337 0.000 1.215 225 P CA -0.274 62.499 63.100 -0.544 0.000 0.780 225 P CB 0.685 31.784 31.700 -1.003 0.000 0.898 226 S N 2.174 117.822 115.700 -0.087 0.000 2.745 226 S HA 0.240 4.729 4.470 0.031 0.000 0.283 226 S C 1.206 175.821 174.600 0.026 0.000 1.170 226 S CA -0.786 57.396 58.200 -0.030 0.000 1.119 226 S CB -0.155 63.018 63.200 -0.044 0.000 1.035 226 S HN 0.312 8.622 8.310 -0.000 0.000 0.483 227 L N 4.152 125.340 121.223 -0.058 0.000 2.013 227 L HA -0.158 4.201 4.340 0.031 0.000 0.212 227 L C 2.169 178.972 176.870 -0.111 0.000 1.073 227 L CA 1.590 56.291 54.840 -0.232 0.000 0.753 227 L CB -0.429 41.433 42.059 -0.328 0.000 0.890 227 L HN 0.660 8.890 8.230 -0.000 0.000 0.432 228 L N -0.722 120.461 121.223 -0.067 0.000 2.275 228 L HA -0.175 4.183 4.340 0.031 0.000 0.215 228 L C 1.771 178.619 176.870 -0.036 0.000 1.119 228 L CA 1.059 55.873 54.840 -0.042 0.000 0.790 228 L CB -0.205 41.839 42.059 -0.025 0.000 0.919 228 L HN 0.324 8.554 8.230 -0.000 0.000 0.443 229 E N -1.501 118.677 120.200 -0.036 0.000 2.501 229 E HA 0.000 4.369 4.350 0.031 0.000 0.201 229 E C -0.021 176.556 176.600 -0.038 0.000 1.016 229 E CA -0.276 56.104 56.400 -0.033 0.000 0.920 229 E CB 0.363 30.043 29.700 -0.032 0.000 1.023 229 E HN 0.174 8.534 8.360 -0.000 0.000 0.474 230 D N 1.818 122.194 120.400 -0.041 0.000 2.358 230 D HA 0.009 4.668 4.640 0.031 0.000 0.258 230 D C -1.679 174.580 176.300 -0.068 0.000 1.223 230 D CA -2.096 51.871 54.000 -0.055 0.000 0.886 230 D CB 1.329 42.099 40.800 -0.051 0.000 1.120 230 D HN -0.100 8.270 8.370 -0.000 0.000 0.482 231 P HA -0.086 4.334 4.420 -0.000 0.000 0.219 231 P C 1.090 178.360 177.300 -0.049 0.000 1.146 231 P CA 0.999 64.067 63.100 -0.052 0.000 0.808 231 P CB 0.290 31.959 31.700 -0.051 0.000 0.779 232 R N -0.796 119.651 120.500 -0.090 0.000 2.090 232 R HA 0.027 4.386 4.340 0.031 0.000 0.228 232 R C 2.282 178.601 176.300 0.031 0.000 1.110 232 R CA 1.069 57.138 56.100 -0.052 0.000 0.973 232 R CB -0.688 29.490 30.300 -0.204 0.000 0.869 232 R HN 0.255 8.525 8.270 -0.000 0.000 0.440 233 I N 0.823 121.392 120.570 -0.002 0.000 2.333 233 I HA -0.177 4.012 4.170 0.031 0.000 0.246 233 I C 1.895 178.022 176.117 0.018 0.000 1.106 233 I CA 1.066 62.388 61.300 0.036 0.000 1.411 233 I CB -0.249 37.745 38.000 -0.009 0.000 1.082 233 I HN 0.059 8.269 8.210 -0.000 0.000 0.420 234 K N 1.401 121.798 120.400 -0.005 0.000 2.113 234 K HA -0.189 4.149 4.320 0.031 0.000 0.208 234 K C 2.246 178.851 176.600 0.010 0.000 1.047 234 K CA 1.644 57.929 56.287 -0.004 0.000 0.928 234 K CB -0.295 32.196 32.500 -0.015 0.000 0.716 234 K HN 0.343 8.593 8.250 -0.000 0.000 0.446 235 A N 1.369 124.200 122.820 0.017 0.000 1.930 235 A HA -0.106 4.232 4.320 0.031 0.000 0.217 235 A C 2.100 179.712 177.584 0.046 0.000 1.175 235 A CA 1.096 53.148 52.037 0.024 0.000 0.627 235 A CB -0.454 18.561 19.000 0.025 0.000 0.815 235 A HN 0.162 8.312 8.150 -0.000 0.000 0.443 236 I N -0.224 120.392 120.570 0.077 0.000 2.226 236 I HA -0.267 3.922 4.170 0.031 0.000 0.245 236 I C 2.957 179.178 176.117 0.174 0.000 1.100 236 I CA 1.000 62.383 61.300 0.138 0.000 1.374 236 I CB -0.326 37.757 38.000 0.138 0.000 1.057 236 I HN 0.356 8.566 8.210 -0.000 0.000 0.413 237 A N 0.818 123.692 122.820 0.090 0.000 1.902 237 A HA -0.170 4.168 4.320 0.031 0.000 0.217 237 A C 2.558 180.158 177.584 0.025 0.000 1.181 237 A CA 1.865 53.931 52.037 0.047 0.000 0.623 237 A CB -0.828 18.171 19.000 -0.002 0.000 0.818 237 A HN 0.428 8.578 8.150 -0.000 0.000 0.443 238 A N -0.046 122.782 122.820 0.014 0.000 1.902 238 A HA -0.198 4.141 4.320 0.031 0.000 0.217 238 A C 2.130 179.703 177.584 -0.018 0.000 1.181 238 A CA 2.099 54.131 52.037 -0.008 0.000 0.623 238 A CB -0.513 18.481 19.000 -0.010 0.000 0.818 238 A HN 0.586 8.736 8.150 -0.000 0.000 0.443 239 K N -1.187 119.204 120.400 -0.016 0.000 2.103 239 K HA -0.218 4.121 4.320 0.031 0.000 0.207 239 K C 1.487 177.988 176.600 -0.164 0.000 1.048 239 K CA 1.722 57.953 56.287 -0.094 0.000 0.930 239 K CB -0.274 32.155 32.500 -0.119 0.000 0.716 239 K HN 0.667 8.917 8.250 -0.000 0.000 0.444 240 H N 0.294 119.344 119.070 -0.033 0.000 2.539 240 H HA 0.105 4.679 4.556 0.031 0.000 0.269 240 H C -0.096 175.145 175.328 -0.145 0.000 0.980 240 H CA 0.267 56.279 56.048 -0.061 0.000 1.152 240 H CB 0.307 30.038 29.762 -0.052 0.000 1.407 240 H HN 0.321 8.601 8.280 -0.000 0.000 0.564 241 N N 1.437 120.116 118.700 -0.036 0.000 2.754 241 N HA -0.150 4.609 4.740 0.031 0.000 0.248 241 N C -0.502 174.923 175.510 -0.142 0.000 1.093 241 N CA 0.800 53.807 53.050 -0.072 0.000 0.699 241 N CB -0.502 37.952 38.487 -0.055 0.000 1.016 241 N HN 0.345 8.725 8.380 -0.000 0.000 0.552 242 K N -0.211 120.080 120.400 -0.182 0.000 2.433 242 K HA 0.510 4.848 4.320 0.031 0.000 0.252 242 K C 0.744 177.255 176.600 -0.149 0.000 1.015 242 K CA -0.419 55.704 56.287 -0.273 0.000 0.860 242 K CB 1.006 33.133 32.500 -0.622 0.000 1.359 242 K HN 0.167 8.417 8.250 -0.000 0.000 0.452 243 T N -2.299 112.185 114.554 -0.117 0.000 2.816 243 T HA 0.151 4.520 4.350 0.031 0.000 0.282 243 T C 1.197 175.873 174.700 -0.040 0.000 0.993 243 T CA -0.207 61.859 62.100 -0.057 0.000 0.994 243 T CB 0.567 69.418 68.868 -0.029 0.000 1.025 243 T HN 0.428 8.668 8.240 -0.000 0.000 0.529 244 T N 1.308 115.849 114.554 -0.020 0.000 2.720 244 T HA -0.074 4.294 4.350 0.031 0.000 0.268 244 T C 2.396 177.099 174.700 0.006 0.000 1.037 244 T CA 1.437 63.532 62.100 -0.009 0.000 1.144 244 T CB -0.867 67.992 68.868 -0.015 0.000 0.864 244 T HN 0.806 9.046 8.240 -0.000 0.000 0.444 245 A N 1.342 124.169 122.820 0.011 0.000 1.940 245 A HA -0.190 4.149 4.320 0.031 0.000 0.219 245 A C 2.292 179.907 177.584 0.051 0.000 1.176 245 A CA 1.626 53.682 52.037 0.032 0.000 0.631 245 A CB -0.646 18.375 19.000 0.036 0.000 0.814 245 A HN 0.554 8.704 8.150 -0.000 0.000 0.446 246 Q N -0.723 119.103 119.800 0.045 0.000 2.119 246 Q HA -0.069 4.289 4.340 0.031 0.000 0.201 246 Q C 2.095 178.204 176.000 0.182 0.000 0.972 246 Q CA 1.415 57.267 55.803 0.082 0.000 0.847 246 Q CB -0.242 28.499 28.738 0.005 0.000 0.903 246 Q HN 0.489 8.759 8.270 -0.000 0.000 0.433 247 V N 0.971 120.965 119.914 0.134 0.000 2.358 247 V HA -0.238 3.901 4.120 0.031 0.000 0.246 247 V C 2.064 178.234 176.094 0.127 0.000 1.047 247 V CA 1.455 63.858 62.300 0.173 0.000 1.035 247 V CB -0.377 31.496 31.823 0.084 0.000 0.658 247 V HN 0.362 8.552 8.190 -0.000 0.000 0.452 248 L N -0.929 120.348 121.223 0.091 0.000 2.201 248 L HA -0.111 4.248 4.340 0.031 0.000 0.212 248 L C 2.191 179.152 176.870 0.151 0.000 1.105 248 L CA 1.352 56.261 54.840 0.114 0.000 0.775 248 L CB -0.331 41.769 42.059 0.068 0.000 0.913 248 L HN 0.297 8.527 8.230 -0.000 0.000 0.440 249 I N -0.886 119.743 120.570 0.098 0.000 2.400 249 I HA -0.173 4.015 4.170 0.031 0.000 0.248 249 I C 2.677 178.779 176.117 -0.025 0.000 1.109 249 I CA 0.499 61.824 61.300 0.042 0.000 1.425 249 I CB -0.083 37.928 38.000 0.018 0.000 1.094 249 I HN 0.114 8.324 8.210 -0.000 0.000 0.425 250 R N 1.064 121.547 120.500 -0.030 0.000 2.120 250 R HA -0.207 4.152 4.340 0.031 0.000 0.234 250 R C 2.155 178.398 176.300 -0.095 0.000 1.123 250 R CA 1.467 57.460 56.100 -0.179 0.000 0.975 250 R CB -0.766 29.334 30.300 -0.332 0.000 0.866 250 R HN 0.262 8.532 8.270 -0.000 0.000 0.446 251 F N 2.431 122.306 119.950 -0.125 0.000 2.043 251 F HA -0.081 4.465 4.527 0.031 0.000 0.297 251 F C -1.006 174.737 175.800 -0.095 0.000 1.121 251 F CA 1.318 59.258 58.000 -0.099 0.000 1.199 251 F CB -1.157 37.814 39.000 -0.049 0.000 0.968 251 F HN 0.087 8.387 8.300 -0.000 0.000 0.478 252 P HA -0.194 4.226 4.420 -0.000 0.000 0.218 252 P C 2.007 179.160 177.300 -0.245 0.000 1.149 252 P CA 1.955 64.842 63.100 -0.356 0.000 0.817 252 P CB -0.395 31.193 31.700 -0.186 0.000 0.785 253 M N -0.486 118.997 119.600 -0.195 0.000 2.144 253 M HA -0.205 4.294 4.480 0.031 0.000 0.260 253 M C 2.193 178.381 176.300 -0.187 0.000 1.067 253 M CA 1.901 57.086 55.300 -0.193 0.000 1.095 253 M CB -0.880 31.565 32.600 -0.259 0.000 1.365 253 M HN 0.002 8.292 8.290 -0.000 0.000 0.406 254 Q N -0.387 119.292 119.800 -0.203 0.000 2.444 254 Q HA 0.003 4.362 4.340 0.031 0.000 0.206 254 Q C 1.018 176.917 176.000 -0.169 0.000 0.948 254 Q CA 0.347 56.047 55.803 -0.171 0.000 0.946 254 Q CB 0.226 28.871 28.738 -0.154 0.000 1.027 254 Q HN 0.516 8.786 8.270 -0.000 0.000 0.513 255 R N 0.551 120.920 120.500 -0.219 0.000 2.427 255 R HA 0.120 4.479 4.340 0.031 0.000 0.262 255 R C -0.236 175.972 176.300 -0.153 0.000 0.943 255 R CA -0.139 55.837 56.100 -0.206 0.000 1.081 255 R CB 0.303 30.424 30.300 -0.298 0.000 1.166 255 R HN 0.125 8.395 8.270 -0.000 0.000 0.534 256 N N 0.909 119.528 118.700 -0.134 0.000 2.754 256 N HA -0.166 4.592 4.740 0.031 0.000 0.248 256 N C -0.746 174.705 175.510 -0.099 0.000 1.093 256 N CA 0.965 53.953 53.050 -0.103 0.000 0.699 256 N CB -1.521 36.916 38.487 -0.084 0.000 1.016 256 N HN 0.286 8.666 8.380 -0.000 0.000 0.552 257 L N -0.530 120.624 121.223 -0.115 0.000 2.352 257 L HA 0.608 4.967 4.340 0.031 0.000 0.269 257 L C 0.926 177.756 176.870 -0.066 0.000 1.034 257 L CA -1.166 53.618 54.840 -0.093 0.000 0.806 257 L CB 1.238 43.227 42.059 -0.116 0.000 1.244 257 L HN -0.243 7.987 8.230 -0.000 0.000 0.447 258 V N 1.695 121.592 119.914 -0.028 0.000 2.607 258 V HA 0.426 4.564 4.120 0.031 0.000 0.289 258 V C -0.068 176.051 176.094 0.042 0.000 1.053 258 V CA -0.432 61.881 62.300 0.022 0.000 0.996 258 V CB 1.999 33.858 31.823 0.059 0.000 0.995 258 V HN 0.476 8.666 8.190 -0.000 0.000 0.476 259 V N 6.234 126.180 119.914 0.054 0.000 2.841 259 V HA 0.632 4.771 4.120 0.031 0.000 0.310 259 V C -0.614 175.523 176.094 0.072 0.000 1.090 259 V CA -0.576 61.760 62.300 0.060 0.000 0.930 259 V CB 2.087 33.924 31.823 0.023 0.000 1.014 259 V HN 0.807 8.997 8.190 -0.000 0.000 0.425 260 I N 4.173 124.805 120.570 0.104 0.000 2.925 260 I HA 0.550 4.739 4.170 0.031 0.000 0.296 260 I C -2.618 173.580 176.117 0.135 0.000 1.413 260 I CA -1.781 59.570 61.300 0.085 0.000 0.932 260 I CB 1.322 39.362 38.000 0.066 0.000 1.873 260 I HN 0.370 8.580 8.210 -0.000 0.000 0.619 261 P HA 0.029 4.449 4.420 -0.000 0.000 0.268 261 P C -0.660 176.714 177.300 0.124 0.000 1.205 261 P CA 0.061 63.250 63.100 0.147 0.000 0.771 261 P CB 1.231 33.023 31.700 0.154 0.000 0.858 262 K N 2.042 122.497 120.400 0.092 0.000 2.159 262 K HA 0.472 4.811 4.320 0.031 0.000 0.266 262 K C -0.917 175.691 176.600 0.013 0.000 0.975 262 K CA -0.378 55.933 56.287 0.040 0.000 0.865 262 K CB 0.970 33.483 32.500 0.022 0.000 1.087 262 K HN 0.482 8.732 8.250 -0.000 0.000 0.446 263 S N 2.155 117.845 115.700 -0.017 0.000 2.537 263 S HA 0.337 4.825 4.470 0.031 0.000 0.270 263 S C -0.241 174.326 174.600 -0.054 0.000 1.142 263 S CA -0.555 57.628 58.200 -0.028 0.000 0.870 263 S CB 1.210 64.411 63.200 0.001 0.000 1.112 263 S HN 0.416 8.726 8.310 -0.000 0.000 0.466 264 V N 0.838 120.721 119.914 -0.052 0.000 3.427 264 V HA 0.452 4.591 4.120 0.031 0.000 0.305 264 V C 0.272 176.342 176.094 -0.039 0.000 1.412 264 V CA -0.044 62.225 62.300 -0.052 0.000 1.086 264 V CB -0.026 31.765 31.823 -0.053 0.000 0.964 264 V HN 0.696 8.886 8.190 -0.000 0.000 0.439 265 T N 3.443 117.980 114.554 -0.029 0.000 2.733 265 T HA 0.371 4.739 4.350 0.031 0.000 0.294 265 T C -1.723 172.973 174.700 -0.007 0.000 0.956 265 T CA -0.708 61.383 62.100 -0.016 0.000 0.987 265 T CB 1.647 70.509 68.868 -0.010 0.000 0.920 265 T HN 0.183 8.423 8.240 -0.000 0.000 0.470 266 P HA -0.155 4.265 4.420 -0.000 0.000 0.215 266 P C 1.195 178.510 177.300 0.025 0.000 1.157 266 P CA 1.134 64.235 63.100 0.002 0.000 0.874 266 P CB 0.244 31.944 31.700 -0.000 0.000 0.790 267 E N -0.651 119.563 120.200 0.025 0.000 2.110 267 E HA -0.139 4.230 4.350 0.031 0.000 0.193 267 E C 2.030 178.663 176.600 0.055 0.000 0.988 267 E CA 1.084 57.506 56.400 0.037 0.000 0.804 267 E CB -0.654 29.060 29.700 0.025 0.000 0.745 267 E HN 0.254 8.614 8.360 -0.000 0.000 0.458 268 R N 0.236 120.765 120.500 0.048 0.000 2.090 268 R HA 0.065 4.424 4.340 0.031 0.000 0.228 268 R C 2.365 178.731 176.300 0.111 0.000 1.110 268 R CA 0.931 57.071 56.100 0.065 0.000 0.973 268 R CB -0.372 29.953 30.300 0.042 0.000 0.869 268 R HN 0.178 8.448 8.270 -0.000 0.000 0.440 269 I N 0.901 121.526 120.570 0.092 0.000 2.151 269 I HA -0.325 3.864 4.170 0.031 0.000 0.243 269 I C 2.623 178.923 176.117 0.305 0.000 1.080 269 I CA 1.561 62.946 61.300 0.143 0.000 1.339 269 I CB -0.432 37.566 38.000 -0.004 0.000 1.039 269 I HN 0.204 8.414 8.210 -0.000 0.000 0.409 270 A N 0.178 123.121 122.820 0.205 0.000 1.902 270 A HA -0.270 4.069 4.320 0.031 0.000 0.217 270 A C 2.336 180.057 177.584 0.229 0.000 1.181 270 A CA 1.941 54.110 52.037 0.220 0.000 0.623 270 A CB -0.704 18.374 19.000 0.131 0.000 0.818 270 A HN 0.541 8.691 8.150 -0.000 0.000 0.443 271 E N 0.039 120.338 120.200 0.166 0.000 2.085 271 E HA -0.256 4.113 4.350 0.031 0.000 0.194 271 E C 1.499 178.190 176.600 0.152 0.000 0.994 271 E CA 1.510 57.988 56.400 0.129 0.000 0.801 271 E CB -0.221 29.529 29.700 0.084 0.000 0.743 271 E HN 0.530 8.890 8.360 -0.000 0.000 0.453 272 N N -0.171 118.647 118.700 0.196 0.000 2.364 272 N HA -0.139 4.620 4.740 0.031 0.000 0.183 272 N C 1.253 176.873 175.510 0.183 0.000 1.022 272 N CA 0.718 53.885 53.050 0.195 0.000 0.883 272 N CB -0.333 38.309 38.487 0.259 0.000 0.965 272 N HN 0.236 8.616 8.380 -0.000 0.000 0.438 273 F N 1.202 121.187 119.950 0.059 0.000 2.615 273 F HA 0.145 4.691 4.527 0.031 0.000 0.297 273 F C 0.607 176.461 175.800 0.089 0.000 1.124 273 F CA 0.388 58.358 58.000 -0.051 0.000 1.451 273 F CB 0.265 39.170 39.000 -0.158 0.000 1.103 273 F HN -0.204 8.096 8.300 -0.000 0.000 0.569 274 K N 1.075 121.559 120.400 0.139 0.000 2.751 274 K HA 0.170 4.509 4.320 0.031 0.000 0.252 274 K C 0.344 176.993 176.600 0.082 0.000 1.277 274 K CA 0.072 56.433 56.287 0.123 0.000 1.226 274 K CB 0.092 32.671 32.500 0.132 0.000 1.658 274 K HN 0.187 8.437 8.250 -0.000 0.000 0.303 275 V N -2.784 117.101 119.914 -0.048 0.000 3.252 275 V HA 0.229 4.367 4.120 0.031 0.000 0.320 275 V C 0.309 176.187 176.094 -0.360 0.000 1.459 275 V CA -0.262 61.983 62.300 -0.092 0.000 1.095 275 V CB -0.560 31.105 31.823 -0.263 0.000 0.997 275 V HN 0.271 8.461 8.190 -0.000 0.000 0.469 276 F N 2.479 122.372 119.950 -0.094 0.000 2.639 276 F HA 0.384 4.929 4.527 0.031 0.000 0.300 276 F C 1.227 177.004 175.800 -0.039 0.000 1.109 276 F CA -0.061 57.863 58.000 -0.126 0.000 1.335 276 F CB 0.505 39.400 39.000 -0.176 0.000 1.014 276 F HN 0.371 8.671 8.300 -0.000 0.000 0.537 277 D N -0.418 120.092 120.400 0.184 0.000 2.513 277 D HA 0.116 4.775 4.640 0.031 0.000 0.222 277 D C -0.059 176.389 176.300 0.246 0.000 1.210 277 D CA -0.014 54.097 54.000 0.186 0.000 0.825 277 D CB -0.410 40.495 40.800 0.176 0.000 1.037 277 D HN 0.167 8.537 8.370 -0.000 0.000 0.506 278 F N -0.770 119.170 119.950 -0.016 0.000 2.668 278 F HA 0.777 5.323 4.527 0.031 0.000 0.309 278 F C -1.604 174.161 175.800 -0.058 0.000 1.117 278 F CA -1.238 56.753 58.000 -0.015 0.000 0.951 278 F CB 1.256 40.250 39.000 -0.010 0.000 1.323 278 F HN -0.300 8.000 8.300 -0.000 0.000 0.451 279 E N 2.311 122.410 120.200 -0.169 0.000 2.234 279 E HA 0.557 4.925 4.350 0.031 0.000 0.266 279 E C -1.402 175.089 176.600 -0.182 0.000 0.877 279 E CA -0.761 55.473 56.400 -0.277 0.000 0.758 279 E CB 2.483 32.125 29.700 -0.098 0.000 1.170 279 E HN 0.685 9.045 8.360 -0.000 0.000 0.415 280 L N 2.593 123.642 121.223 -0.290 0.000 2.380 280 L HA 0.249 4.608 4.340 0.031 0.000 0.273 280 L C 0.612 177.485 176.870 0.004 0.000 1.138 280 L CA -0.342 54.415 54.840 -0.138 0.000 0.832 280 L CB 0.718 42.705 42.059 -0.121 0.000 1.124 280 L HN 0.579 8.809 8.230 -0.000 0.000 0.454 281 S N 0.792 116.553 115.700 0.102 0.000 2.608 281 S HA 0.005 4.494 4.470 0.031 0.000 0.261 281 S C 1.238 175.861 174.600 0.039 0.000 1.314 281 S CA -0.090 58.152 58.200 0.070 0.000 0.992 281 S CB 1.388 64.639 63.200 0.086 0.000 0.935 281 S HN 0.683 8.993 8.310 -0.000 0.000 0.564 282 S N -0.068 115.646 115.700 0.023 0.000 2.399 282 S HA -0.214 4.274 4.470 0.031 0.000 0.231 282 S C 1.914 176.525 174.600 0.018 0.000 1.022 282 S CA 1.641 59.850 58.200 0.015 0.000 0.983 282 S CB -0.717 62.486 63.200 0.006 0.000 0.803 282 S HN 0.813 9.123 8.310 -0.000 0.000 0.480 283 Q N 0.214 120.027 119.800 0.022 0.000 2.079 283 Q HA -0.142 4.217 4.340 0.031 0.000 0.200 283 Q C 1.490 177.496 176.000 0.009 0.000 0.974 283 Q CA 1.823 57.635 55.803 0.014 0.000 0.840 283 Q CB -0.226 28.524 28.738 0.020 0.000 0.898 283 Q HN 0.513 8.783 8.270 -0.000 0.000 0.430 284 D N -0.017 120.405 120.400 0.037 0.000 2.123 284 D HA -0.194 4.465 4.640 0.031 0.000 0.196 284 D C 1.895 178.189 176.300 -0.010 0.000 0.992 284 D CA 1.250 55.271 54.000 0.035 0.000 0.833 284 D CB -0.073 40.786 40.800 0.099 0.000 0.954 284 D HN 0.338 8.708 8.370 -0.000 0.000 0.455 285 M N 0.246 119.867 119.600 0.035 0.000 2.132 285 M HA -0.085 4.414 4.480 0.031 0.000 0.263 285 M C 2.241 178.577 176.300 0.060 0.000 1.065 285 M CA 1.111 56.475 55.300 0.106 0.000 1.122 285 M CB -1.267 31.399 32.600 0.110 0.000 1.365 285 M HN -0.064 8.226 8.290 -0.000 0.000 0.411 286 T N 0.616 115.173 114.554 0.005 0.000 2.867 286 T HA -0.093 4.276 4.350 0.031 0.000 0.268 286 T C 1.830 176.462 174.700 -0.114 0.000 1.057 286 T CA 1.768 63.852 62.100 -0.027 0.000 1.136 286 T CB -0.219 68.638 68.868 -0.018 0.000 0.874 286 T HN 0.409 8.649 8.240 -0.000 0.000 0.466 287 T N 2.411 116.871 114.554 -0.156 0.000 2.708 287 T HA -0.016 4.353 4.350 0.031 0.000 0.266 287 T C 1.831 176.098 174.700 -0.722 0.000 1.037 287 T CA 0.667 62.585 62.100 -0.302 0.000 1.146 287 T CB -0.320 68.447 68.868 -0.169 0.000 0.865 287 T HN 0.079 8.319 8.240 -0.000 0.000 0.435 288 L N 0.862 121.721 121.223 -0.608 0.000 2.046 288 L HA 0.069 4.428 4.340 0.031 0.000 0.208 288 L C 2.322 178.829 176.870 -0.604 0.000 1.077 288 L CA 1.358 55.688 54.840 -0.849 0.000 0.747 288 L CB -1.321 40.102 42.059 -1.061 0.000 0.896 288 L HN 0.298 8.528 8.230 -0.000 0.000 0.432 289 L N -0.643 120.452 121.223 -0.213 0.000 2.191 289 L HA -0.206 4.153 4.340 0.031 0.000 0.212 289 L C 2.494 179.333 176.870 -0.052 0.000 1.103 289 L CA 1.342 56.200 54.840 0.031 0.000 0.769 289 L CB -0.522 41.593 42.059 0.093 0.000 0.908 289 L HN 0.421 8.651 8.230 -0.000 0.000 0.438 290 S N -1.424 114.151 115.700 -0.207 0.000 2.515 290 S HA -0.136 4.353 4.470 0.031 0.000 0.231 290 S C 1.514 176.173 174.600 0.099 0.000 0.987 290 S CA 0.362 58.514 58.200 -0.080 0.000 0.936 290 S CB -0.404 62.736 63.200 -0.101 0.000 0.766 290 S HN 0.381 8.691 8.310 -0.000 0.000 0.528 291 Y N 2.121 122.475 120.300 0.089 0.000 2.502 291 Y HA 0.381 4.950 4.550 0.031 0.000 0.295 291 Y C 0.905 176.943 175.900 0.231 0.000 1.193 291 Y CA -1.716 56.479 58.100 0.158 0.000 1.295 291 Y CB -1.652 36.926 38.460 0.197 0.000 1.059 291 Y HN 0.333 8.613 8.280 -0.000 0.000 0.514 292 N N 2.199 121.078 118.700 0.300 0.000 2.412 292 N HA -0.038 4.720 4.740 0.031 0.000 0.254 292 N C 0.689 176.330 175.510 0.219 0.000 1.232 292 N CA 0.258 53.469 53.050 0.269 0.000 0.880 292 N CB 0.416 39.003 38.487 0.168 0.000 1.076 292 N HN 0.396 8.776 8.380 -0.000 0.000 0.458 293 R N 1.186 121.829 120.500 0.237 0.000 2.549 293 R HA 0.305 4.664 4.340 0.031 0.000 0.399 293 R C -0.393 176.026 176.300 0.199 0.000 0.964 293 R CA -0.617 55.580 56.100 0.162 0.000 1.173 293 R CB -0.394 29.946 30.300 0.067 0.000 1.535 293 R HN 0.379 8.649 8.270 -0.000 0.000 0.551 294 N N 0.784 119.609 118.700 0.207 0.000 2.727 294 N HA -0.215 4.544 4.740 0.031 0.000 0.249 294 N C -1.340 174.309 175.510 0.231 0.000 1.048 294 N CA 1.290 54.440 53.050 0.167 0.000 0.714 294 N CB -1.134 37.422 38.487 0.115 0.000 0.959 294 N HN 0.526 8.906 8.380 -0.000 0.000 0.544 295 W N 1.649 123.042 121.300 0.155 0.000 2.332 295 W HA 0.345 5.025 4.660 0.034 0.000 0.306 295 W C 0.203 176.875 176.519 0.256 0.000 1.149 295 W CA -0.615 56.846 57.345 0.193 0.000 1.271 295 W CB 0.574 30.160 29.460 0.210 0.000 1.243 295 W HN -0.034 8.146 8.180 -0.000 0.000 0.459 296 R N 4.990 125.192 120.500 -0.496 0.000 2.393 296 R HA 0.281 4.640 4.340 0.031 0.000 0.310 296 R C 0.664 176.524 176.300 -0.734 0.000 0.968 296 R CA -0.659 55.145 56.100 -0.492 0.000 0.867 296 R CB 1.876 32.003 30.300 -0.288 0.000 1.124 296 R HN 0.484 8.754 8.270 -0.000 0.000 0.450 297 V N 1.287 120.938 119.914 -0.438 0.000 2.358 297 V HA -0.168 3.970 4.120 0.031 0.000 0.246 297 V C 0.653 177.047 176.094 0.501 0.000 1.047 297 V CA 1.343 63.669 62.300 0.043 0.000 1.035 297 V CB 0.127 32.125 31.823 0.292 0.000 0.658 297 V HN 0.773 8.963 8.190 -0.000 0.000 0.452 298 C N 1.301 120.852 119.300 0.418 0.000 2.301 298 C HA 0.792 5.271 4.460 0.031 0.000 0.313 298 C C 0.500 175.768 174.990 0.462 0.000 1.121 298 C CA -0.632 58.722 59.018 0.559 0.000 1.507 298 C CB -0.400 27.804 27.740 0.774 0.000 1.975 298 C HN 0.489 8.719 8.230 -0.000 0.000 0.425 299 A N 3.702 126.676 122.820 0.256 0.000 3.300 299 A HA 0.544 4.883 4.320 0.031 0.000 0.300 299 A C -0.729 176.945 177.584 0.150 0.000 1.099 299 A CA -0.309 51.945 52.037 0.363 0.000 0.846 299 A CB -0.053 19.108 19.000 0.268 0.000 1.255 299 A HN 0.621 8.771 8.150 -0.000 0.000 0.519 300 L N 1.516 122.766 121.223 0.044 0.000 2.530 300 L HA 0.112 4.471 4.340 0.031 0.000 0.273 300 L C 1.676 178.523 176.870 -0.040 0.000 1.141 300 L CA 0.256 55.023 54.840 -0.122 0.000 0.905 300 L CB 0.076 42.038 42.059 -0.162 0.000 1.202 300 L HN 0.760 8.990 8.230 -0.000 0.000 0.473 301 L N 2.121 123.277 121.223 -0.111 0.000 2.211 301 L HA -0.324 4.035 4.340 0.031 0.000 0.216 301 L C 2.264 179.042 176.870 -0.154 0.000 1.092 301 L CA 1.660 56.416 54.840 -0.139 0.000 0.767 301 L CB 0.032 42.015 42.059 -0.126 0.000 0.894 301 L HN 0.982 9.212 8.230 -0.000 0.000 0.437 302 S N -2.766 112.848 115.700 -0.144 0.000 2.522 302 S HA -0.099 4.389 4.470 0.031 0.000 0.227 302 S C 1.366 175.903 174.600 -0.104 0.000 0.986 302 S CA 0.580 58.704 58.200 -0.126 0.000 0.929 302 S CB -0.466 62.646 63.200 -0.147 0.000 0.769 302 S HN 0.503 8.813 8.310 -0.000 0.000 0.529 303 C N 2.445 121.685 119.300 -0.099 0.000 3.000 303 C HA 0.344 4.823 4.460 0.031 0.000 0.286 303 C C 2.377 177.242 174.990 -0.209 0.000 1.343 303 C CA 0.027 59.013 59.018 -0.053 0.000 1.742 303 C CB -1.208 26.575 27.740 0.072 0.000 2.200 303 C HN 0.802 9.032 8.230 -0.000 0.000 0.621 304 T N -2.340 111.948 114.554 -0.443 0.000 3.007 304 T HA -0.112 4.257 4.350 0.031 0.000 0.270 304 T C 1.608 176.171 174.700 -0.229 0.000 1.107 304 T CA 1.626 63.276 62.100 -0.750 0.000 1.118 304 T CB -0.128 68.451 68.868 -0.482 0.000 0.889 304 T HN 0.393 8.633 8.240 -0.000 0.000 0.506 305 S N -0.167 115.476 115.700 -0.094 0.000 2.535 305 S HA 0.096 4.585 4.470 0.031 0.000 0.214 305 S C 0.601 175.237 174.600 0.059 0.000 0.980 305 S CA -0.619 57.578 58.200 -0.004 0.000 0.907 305 S CB -0.505 62.669 63.200 -0.043 0.000 0.790 305 S HN 0.656 8.966 8.310 -0.000 0.000 0.510 306 H N 2.794 121.858 119.070 -0.009 0.000 2.897 306 H HA 0.039 4.611 4.556 0.028 0.000 0.347 306 H C 1.404 176.777 175.328 0.074 0.000 1.068 306 H CA 1.045 57.111 56.048 0.030 0.000 1.426 306 H CB 0.935 30.727 29.762 0.050 0.000 1.410 306 H HN 0.367 8.647 8.280 -0.000 0.000 0.597 307 K N 3.153 123.612 120.400 0.097 0.000 2.097 307 K HA -0.104 4.235 4.320 0.031 0.000 0.206 307 K C 0.346 177.057 176.600 0.184 0.000 1.049 307 K CA 1.692 58.052 56.287 0.122 0.000 0.933 307 K CB 0.253 32.757 32.500 0.007 0.000 0.717 307 K HN 0.424 8.674 8.250 -0.000 0.000 0.442 308 D N 0.362 120.913 120.400 0.252 0.000 2.319 308 D HA -0.062 4.597 4.640 0.031 0.000 0.230 308 D C -0.333 175.934 176.300 -0.055 0.000 1.094 308 D CA -0.047 53.990 54.000 0.062 0.000 0.856 308 D CB -0.392 40.413 40.800 0.008 0.000 0.915 308 D HN 0.222 8.592 8.370 -0.000 0.000 0.517 309 Y N 3.550 123.787 120.300 -0.106 0.000 2.802 309 Y HA -0.037 4.529 4.550 0.028 0.000 0.333 309 Y C -1.255 174.383 175.900 -0.436 0.000 1.244 309 Y CA -1.184 56.727 58.100 -0.315 0.000 1.558 309 Y CB 0.902 39.162 38.460 -0.334 0.000 1.233 309 Y HN -0.056 8.224 8.280 -0.000 0.000 0.547 310 P HA -0.036 4.384 4.420 -0.000 0.000 0.240 310 P C -0.092 176.815 177.300 -0.656 0.000 1.190 310 P CA 0.895 63.497 63.100 -0.831 0.000 0.781 310 P CB 0.199 31.359 31.700 -0.900 0.000 0.931 311 F N -1.212 118.283 119.950 -0.757 0.000 2.708 311 F HA 0.258 4.807 4.527 0.037 0.000 0.300 311 F C 1.978 177.790 175.800 0.019 0.000 1.118 311 F CA -0.828 56.995 58.000 -0.296 0.000 1.307 311 F CB -0.922 37.940 39.000 -0.231 0.000 0.986 311 F HN -0.071 8.229 8.300 -0.000 0.000 0.522 312 H N -0.298 118.949 119.070 0.294 0.000 2.307 312 H HA 0.023 4.596 4.556 0.029 0.000 0.303 312 H C 0.958 176.375 175.328 0.148 0.000 1.073 312 H CA 0.753 56.946 56.048 0.242 0.000 1.338 312 H CB -0.107 29.771 29.762 0.193 0.000 1.389 312 H HN 0.141 8.421 8.280 -0.000 0.000 0.503 313 E N 1.251 121.580 120.200 0.214 0.000 2.436 313 E HA -0.097 4.272 4.350 0.031 0.000 0.262 313 E C 1.378 178.051 176.600 0.121 0.000 1.063 313 E CA 0.157 56.618 56.400 0.102 0.000 0.944 313 E CB 0.850 30.544 29.700 -0.011 0.000 0.950 313 E HN 0.482 8.842 8.360 -0.000 0.000 0.444 314 E N 1.795 122.062 120.200 0.112 0.000 2.209 314 E HA -0.185 4.184 4.350 0.031 0.000 0.196 314 E C 0.144 176.960 176.600 0.360 0.000 0.993 314 E CA 1.348 57.873 56.400 0.210 0.000 0.819 314 E CB -0.015 29.825 29.700 0.232 0.000 0.745 314 E HN 0.389 8.749 8.360 -0.000 0.000 0.477 315 F N 0.000 119.971 119.950 0.034 0.000 2.286 315 F HA 0.000 4.548 4.527 0.034 0.000 0.279 315 F CA 0.000 58.030 58.000 0.050 0.000 1.383 315 F CB 0.000 39.017 39.000 0.029 0.000 1.145 315 F HN 0.000 8.300 8.300 -0.000 0.000 0.574