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 1ghs_1_B DATA FIRST_RESID 1 DATA SEQUENCE IGVCYGVIGN NLPSRSDVVQ LYRSKGINGM RIYFADGQAL SALRNSGIGL DATA SEQUENCE ILDIGNDQLA NIAASTSNAA SWVQNNVRPY YPAVNIKYIA AGNEVQGGAT DATA SEQUENCE QSILPAMRNL NAALSAAGLG AIKVSTSIRF DEVANSFPPS AGVFKNAYMT DATA SEQUENCE DVARLLASTG APLLANVYPY FAYRDNPGSI SLNYATFQPG TTVRDQNNGL DATA SEQUENCE TYTSLFDAMV DAVYAALEKA GAPAVKVVVS ESGWPSAGGF AASAGNARTY DATA SEQUENCE NQGLINHVGG GTPKKREALE TYIFAMFNEN QKTGDATERS FGLFNPDKSP DATA SEQUENCE AYNIQF 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 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1 I C 0.000 176.019 176.117 -0.163 0.000 1.063 1 I CA 0.000 61.249 61.300 -0.085 0.000 1.566 1 I CB 0.000 38.005 38.000 0.009 0.000 1.214 2 G N 3.259 111.851 108.800 -0.347 0.000 2.462 2 G HA2 0.672 4.632 3.960 -0.001 0.000 0.319 2 G HA3 0.672 4.632 3.960 -0.001 0.000 0.319 2 G C -1.606 173.298 174.900 0.006 0.000 1.171 2 G CA -0.551 44.315 45.100 -0.391 0.000 0.920 2 G HN 0.601 8.891 8.290 -0.000 0.000 0.499 3 V N -0.171 119.895 119.914 0.253 0.000 2.711 3 V HA 0.200 4.319 4.120 -0.001 0.000 0.304 3 V C -0.220 176.131 176.094 0.427 0.000 1.097 3 V CA -0.954 61.504 62.300 0.263 0.000 0.906 3 V CB 1.481 33.297 31.823 -0.011 0.000 1.015 3 V HN 0.992 9.182 8.190 -0.000 0.000 0.427 4 C N 4.850 124.393 119.300 0.406 0.000 2.648 4 C HA 0.248 4.707 4.460 -0.001 0.000 0.419 4 C C 0.012 175.255 174.990 0.423 0.000 1.352 4 C CA -0.308 58.972 59.018 0.437 0.000 1.816 4 C CB -0.715 27.387 27.740 0.604 0.000 2.598 4 C HN 0.773 9.003 8.230 -0.000 0.000 0.598 5 Y N 2.773 123.264 120.300 0.319 0.000 2.593 5 Y HA 0.547 5.096 4.550 -0.001 0.000 0.331 5 Y C 0.302 176.423 175.900 0.367 0.000 0.986 5 Y CA -1.115 57.166 58.100 0.301 0.000 1.262 5 Y CB 0.361 38.951 38.460 0.216 0.000 1.098 5 Y HN 0.770 9.050 8.280 -0.000 0.000 0.506 6 G N 3.720 112.737 108.800 0.362 0.000 2.332 6 G HA2 0.461 4.420 3.960 -0.001 0.000 0.310 6 G HA3 0.461 4.420 3.960 -0.001 0.000 0.310 6 G C -0.104 174.885 174.900 0.148 0.000 1.123 6 G CA -0.430 44.786 45.100 0.194 0.000 0.873 6 G HN 0.914 9.204 8.290 -0.000 0.000 0.460 7 V N 0.981 120.905 119.914 0.017 0.000 3.177 7 V HA 0.412 4.531 4.120 -0.001 0.000 0.342 7 V C 0.644 176.782 176.094 0.075 0.000 1.379 7 V CA -0.232 62.089 62.300 0.035 0.000 1.191 7 V CB -0.658 31.128 31.823 -0.063 0.000 1.167 7 V HN 0.593 8.783 8.190 -0.000 0.000 0.471 8 I N 2.731 123.354 120.570 0.088 0.000 2.212 8 I HA 0.618 4.787 4.170 -0.001 0.000 0.285 8 I C 0.970 177.132 176.117 0.076 0.000 1.116 8 I CA 0.379 61.720 61.300 0.069 0.000 1.644 8 I CB -0.413 37.623 38.000 0.061 0.000 1.485 8 I HN 0.472 8.682 8.210 -0.000 0.000 0.728 9 G N 2.087 110.925 108.800 0.062 0.000 2.725 9 G HA2 0.305 4.264 3.960 -0.001 0.000 0.288 9 G HA3 0.305 4.264 3.960 -0.001 0.000 0.288 9 G C -0.175 174.743 174.900 0.030 0.000 1.399 9 G CA -0.568 44.564 45.100 0.053 0.000 0.859 9 G HN 0.393 8.683 8.290 -0.000 0.000 0.479 10 N N -1.061 117.653 118.700 0.023 0.000 2.282 10 N HA 0.099 4.838 4.740 -0.001 0.000 0.240 10 N C 0.196 175.708 175.510 0.004 0.000 1.182 10 N CA -0.431 52.628 53.050 0.014 0.000 0.874 10 N CB 0.285 38.782 38.487 0.017 0.000 1.126 10 N HN 0.450 8.830 8.380 -0.000 0.000 0.516 11 N N -0.218 118.477 118.700 -0.008 0.000 2.330 11 N HA 0.109 4.848 4.740 -0.001 0.000 0.249 11 N C -0.946 174.519 175.510 -0.075 0.000 1.413 11 N CA -0.314 52.721 53.050 -0.025 0.000 0.817 11 N CB -0.414 38.069 38.487 -0.008 0.000 1.362 11 N HN 0.062 8.442 8.380 -0.000 0.000 0.499 12 L N 0.465 121.623 121.223 -0.108 0.000 2.439 12 L HA 0.581 4.921 4.340 -0.001 0.000 0.259 12 L C -1.504 175.241 176.870 -0.208 0.000 1.129 12 L CA -1.656 53.030 54.840 -0.258 0.000 0.803 12 L CB 0.078 41.972 42.059 -0.275 0.000 1.161 12 L HN -0.069 8.161 8.230 -0.000 0.000 0.462 13 P HA 0.104 4.524 4.420 -0.000 0.000 0.282 13 P C -0.892 176.376 177.300 -0.053 0.000 1.286 13 P CA -0.542 62.473 63.100 -0.142 0.000 0.777 13 P CB 0.323 31.941 31.700 -0.136 0.000 1.184 14 S N -0.814 114.875 115.700 -0.018 0.000 2.652 14 S HA 0.306 4.775 4.470 -0.001 0.000 0.270 14 S C 1.059 175.680 174.600 0.035 0.000 1.243 14 S CA -0.533 57.677 58.200 0.017 0.000 0.999 14 S CB 1.028 64.233 63.200 0.007 0.000 0.973 14 S HN 0.133 8.443 8.310 -0.000 0.000 0.544 15 R N 1.384 121.926 120.500 0.069 0.000 2.091 15 R HA -0.074 4.265 4.340 -0.001 0.000 0.238 15 R C 2.743 179.033 176.300 -0.017 0.000 1.136 15 R CA 1.783 57.926 56.100 0.072 0.000 0.959 15 R CB -1.172 29.184 30.300 0.093 0.000 0.856 15 R HN 0.861 9.131 8.270 -0.000 0.000 0.437 16 S N 0.381 116.074 115.700 -0.012 0.000 2.368 16 S HA -0.168 4.302 4.470 -0.001 0.000 0.225 16 S C 1.498 176.076 174.600 -0.036 0.000 1.030 16 S CA 1.731 59.914 58.200 -0.028 0.000 0.999 16 S CB -0.298 62.893 63.200 -0.015 0.000 0.844 16 S HN 0.254 8.564 8.310 -0.000 0.000 0.459 17 D N 0.466 120.851 120.400 -0.025 0.000 2.178 17 D HA -0.027 4.612 4.640 -0.001 0.000 0.201 17 D C 1.976 178.261 176.300 -0.025 0.000 0.980 17 D CA 1.063 55.049 54.000 -0.023 0.000 0.842 17 D CB -0.250 40.540 40.800 -0.017 0.000 0.948 17 D HN 0.329 8.699 8.370 -0.000 0.000 0.472 18 V N -0.183 119.707 119.914 -0.040 0.000 2.358 18 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 18 V C 2.445 178.482 176.094 -0.095 0.000 1.047 18 V CA 0.958 63.222 62.300 -0.060 0.000 1.035 18 V CB -0.335 31.323 31.823 -0.276 0.000 0.658 18 V HN 0.099 8.289 8.190 -0.000 0.000 0.452 19 V N -0.021 119.791 119.914 -0.170 0.000 2.295 19 V HA -0.344 3.775 4.120 -0.001 0.000 0.246 19 V C 2.476 178.532 176.094 -0.064 0.000 1.049 19 V CA 2.441 64.632 62.300 -0.182 0.000 1.024 19 V CB -0.715 31.016 31.823 -0.154 0.000 0.648 19 V HN 0.644 8.834 8.190 -0.000 0.000 0.447 20 Q N -0.523 119.246 119.800 -0.052 0.000 2.135 20 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 20 Q C 2.331 178.305 176.000 -0.043 0.000 0.981 20 Q CA 1.804 57.584 55.803 -0.039 0.000 0.856 20 Q CB -0.126 28.591 28.738 -0.035 0.000 0.902 20 Q HN 0.619 8.889 8.270 -0.000 0.000 0.425 21 L N -0.274 120.916 121.223 -0.055 0.000 2.027 21 L HA -0.197 4.142 4.340 -0.001 0.000 0.206 21 L C 2.145 178.915 176.870 -0.166 0.000 1.074 21 L CA 1.282 56.036 54.840 -0.144 0.000 0.745 21 L CB -0.392 41.527 42.059 -0.233 0.000 0.898 21 L HN 0.319 8.549 8.230 -0.000 0.000 0.433 22 Y N 0.393 120.521 120.300 -0.286 0.000 2.151 22 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 22 Y C 2.788 178.560 175.900 -0.213 0.000 1.166 22 Y CA 1.708 59.639 58.100 -0.283 0.000 1.163 22 Y CB -0.372 37.945 38.460 -0.239 0.000 0.974 22 Y HN 0.126 8.406 8.280 -0.000 0.000 0.511 23 R N -0.851 119.653 120.500 0.006 0.000 2.090 23 R HA -0.101 4.239 4.340 -0.001 0.000 0.228 23 R C 2.339 178.613 176.300 -0.044 0.000 1.110 23 R CA 1.360 57.446 56.100 -0.024 0.000 0.973 23 R CB -0.364 29.923 30.300 -0.021 0.000 0.869 23 R HN 0.182 8.452 8.270 -0.000 0.000 0.440 24 S N 0.785 116.451 115.700 -0.056 0.000 2.399 24 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 24 S C 1.527 176.102 174.600 -0.040 0.000 1.022 24 S CA 1.056 59.230 58.200 -0.043 0.000 0.983 24 S CB 0.040 63.212 63.200 -0.047 0.000 0.803 24 S HN 0.179 8.489 8.310 -0.000 0.000 0.480 25 K N 0.428 120.770 120.400 -0.097 0.000 2.361 25 K HA 0.195 4.514 4.320 -0.001 0.000 0.196 25 K C 1.335 177.880 176.600 -0.092 0.000 1.039 25 K CA 0.702 56.935 56.287 -0.090 0.000 1.001 25 K CB -0.411 31.921 32.500 -0.280 0.000 0.795 25 K HN 0.456 8.706 8.250 -0.000 0.000 0.495 26 G N 2.009 110.745 108.800 -0.107 0.000 2.149 26 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.235 26 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.235 26 G C -0.070 174.750 174.900 -0.132 0.000 1.018 26 G CA -0.177 44.881 45.100 -0.070 0.000 0.728 26 G HN 0.248 8.538 8.290 -0.000 0.000 0.508 27 I N 0.724 121.150 120.570 -0.239 0.000 2.322 27 I HA 0.183 4.352 4.170 -0.001 0.000 0.292 27 I C 1.312 177.402 176.117 -0.044 0.000 1.060 27 I CA -0.142 60.998 61.300 -0.266 0.000 1.309 27 I CB 1.054 38.729 38.000 -0.541 0.000 1.415 27 I HN 0.272 8.482 8.210 -0.000 0.000 0.492 28 N N 4.368 123.050 118.700 -0.030 0.000 2.270 28 N HA 0.169 4.908 4.740 -0.001 0.000 0.198 28 N C 0.278 175.810 175.510 0.038 0.000 1.117 28 N CA -0.186 52.869 53.050 0.007 0.000 0.845 28 N CB 0.459 38.941 38.487 -0.008 0.000 0.980 28 N HN 0.782 9.162 8.380 -0.000 0.000 0.486 29 G N 0.502 109.345 108.800 0.071 0.000 2.696 29 G HA2 0.552 4.511 3.960 -0.001 0.000 0.295 29 G HA3 0.552 4.511 3.960 -0.001 0.000 0.295 29 G C -1.669 173.416 174.900 0.309 0.000 1.398 29 G CA -0.508 44.682 45.100 0.150 0.000 0.920 29 G HN 0.084 8.374 8.290 -0.000 0.000 0.492 30 M N 0.831 120.656 119.600 0.376 0.000 2.531 30 M HA 0.691 5.170 4.480 -0.001 0.000 0.286 30 M C -1.377 175.066 176.300 0.238 0.000 1.232 30 M CA -0.961 54.527 55.300 0.313 0.000 0.877 30 M CB 2.899 35.484 32.600 -0.024 0.000 1.726 30 M HN 0.629 8.919 8.290 -0.000 0.000 0.463 31 R N 4.355 124.958 120.500 0.171 0.000 2.561 31 R HA 0.773 5.113 4.340 -0.001 0.000 0.297 31 R C -1.693 174.546 176.300 -0.103 0.000 0.969 31 R CA -0.573 55.486 56.100 -0.068 0.000 0.879 31 R CB 1.445 31.621 30.300 -0.206 0.000 1.178 31 R HN 0.789 9.059 8.270 -0.000 0.000 0.445 32 I N 0.842 121.286 120.570 -0.211 0.000 2.569 32 I HA 0.376 4.546 4.170 -0.001 0.000 0.296 32 I C -0.815 175.129 176.117 -0.289 0.000 1.028 32 I CA -1.063 60.120 61.300 -0.195 0.000 1.082 32 I CB 2.009 39.901 38.000 -0.180 0.000 1.264 32 I HN 0.708 8.918 8.210 -0.000 0.000 0.429 33 Y N 4.644 124.984 120.300 0.067 0.000 2.490 33 Y HA 0.309 4.859 4.550 -0.001 0.000 0.281 33 Y C -0.015 176.082 175.900 0.328 0.000 1.174 33 Y CA -0.036 58.183 58.100 0.198 0.000 1.295 33 Y CB -0.059 38.548 38.460 0.245 0.000 1.062 33 Y HN 0.649 8.929 8.280 -0.000 0.000 0.522 34 F N -3.499 116.539 119.950 0.147 0.000 2.770 34 F HA 0.726 5.252 4.527 -0.001 0.000 0.313 34 F C -0.810 175.068 175.800 0.130 0.000 1.154 34 F CA -2.631 55.461 58.000 0.153 0.000 0.923 34 F CB 0.552 39.632 39.000 0.134 0.000 1.301 34 F HN -0.343 7.957 8.300 -0.000 0.000 0.449 35 A N 2.018 124.942 122.820 0.175 0.000 2.899 35 A HA 0.252 4.571 4.320 -0.001 0.000 0.287 35 A C -0.249 177.202 177.584 -0.221 0.000 1.715 35 A CA 0.174 52.184 52.037 -0.044 0.000 1.393 35 A CB -1.365 17.648 19.000 0.022 0.000 1.070 35 A HN 0.631 8.781 8.150 -0.000 0.000 0.587 36 D N 2.484 122.486 120.400 -0.663 0.000 2.344 36 D HA 0.247 4.886 4.640 -0.001 0.000 0.253 36 D C 1.422 177.550 176.300 -0.286 0.000 1.255 36 D CA 0.584 54.218 54.000 -0.609 0.000 0.894 36 D CB 0.913 41.157 40.800 -0.927 0.000 1.067 36 D HN 0.302 8.672 8.370 -0.000 0.000 0.492 37 G N 3.273 111.997 108.800 -0.126 0.000 2.498 37 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 37 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 37 G C 1.189 176.030 174.900 -0.098 0.000 1.119 37 G CA 0.445 45.475 45.100 -0.117 0.000 0.766 37 G HN 0.562 8.852 8.290 -0.000 0.000 0.552 38 Q N -0.079 119.685 119.800 -0.059 0.000 2.137 38 Q HA 0.136 4.475 4.340 -0.001 0.000 0.198 38 Q C 2.936 178.908 176.000 -0.046 0.000 0.960 38 Q CA 1.001 56.791 55.803 -0.023 0.000 0.847 38 Q CB -0.090 28.662 28.738 0.023 0.000 0.915 38 Q HN 0.477 8.747 8.270 -0.000 0.000 0.448 39 A N 0.805 123.575 122.820 -0.083 0.000 1.898 39 A HA -0.053 4.266 4.320 -0.001 0.000 0.214 39 A C 2.047 179.534 177.584 -0.162 0.000 1.183 39 A CA 0.639 52.637 52.037 -0.065 0.000 0.622 39 A CB -0.503 18.482 19.000 -0.025 0.000 0.824 39 A HN 0.228 8.378 8.150 -0.000 0.000 0.444 40 L N 0.704 121.746 121.223 -0.302 0.000 2.083 40 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 40 L C 2.994 179.643 176.870 -0.369 0.000 1.083 40 L CA 1.610 56.148 54.840 -0.505 0.000 0.752 40 L CB -0.374 41.052 42.059 -1.054 0.000 0.899 40 L HN 0.614 8.844 8.230 -0.000 0.000 0.433 41 S N -0.302 115.278 115.700 -0.200 0.000 2.387 41 S HA -0.073 4.397 4.470 -0.001 0.000 0.226 41 S C 2.145 176.737 174.600 -0.012 0.000 1.026 41 S CA 0.628 58.831 58.200 0.005 0.000 0.972 41 S CB -0.336 62.895 63.200 0.052 0.000 0.814 41 S HN 0.315 8.625 8.310 -0.000 0.000 0.477 42 A N 1.672 124.463 122.820 -0.048 0.000 1.969 42 A HA 0.282 4.601 4.320 -0.001 0.000 0.218 42 A C 2.165 179.711 177.584 -0.063 0.000 1.169 42 A CA 0.969 52.979 52.037 -0.046 0.000 0.635 42 A CB -0.741 18.230 19.000 -0.049 0.000 0.810 42 A HN 0.542 8.692 8.150 -0.000 0.000 0.445 43 L N -0.356 120.817 121.223 -0.083 0.000 2.552 43 L HA 0.013 4.352 4.340 -0.001 0.000 0.227 43 L C 0.697 177.539 176.870 -0.047 0.000 1.146 43 L CA -0.162 54.626 54.840 -0.086 0.000 0.858 43 L CB -0.227 41.768 42.059 -0.107 0.000 0.969 43 L HN 0.257 8.487 8.230 -0.000 0.000 0.451 44 R N 1.998 122.488 120.500 -0.017 0.000 2.480 44 R HA -0.065 4.274 4.340 -0.001 0.000 0.303 44 R C 0.311 176.602 176.300 -0.015 0.000 0.985 44 R CA 0.154 56.257 56.100 0.005 0.000 1.051 44 R CB -0.054 30.265 30.300 0.031 0.000 0.935 44 R HN 0.297 8.567 8.270 -0.000 0.000 0.410 45 N N 0.354 119.041 118.700 -0.022 0.000 2.741 45 N HA -0.196 4.543 4.740 -0.001 0.000 0.251 45 N C 0.616 176.108 175.510 -0.031 0.000 1.112 45 N CA 1.542 54.574 53.050 -0.029 0.000 0.750 45 N CB -1.188 37.285 38.487 -0.025 0.000 1.119 45 N HN 0.728 9.108 8.380 -0.000 0.000 0.561 46 S N -1.580 114.099 115.700 -0.036 0.000 2.501 46 S HA 0.310 4.779 4.470 -0.001 0.000 0.220 46 S C 1.645 176.225 174.600 -0.033 0.000 0.997 46 S CA 1.124 59.300 58.200 -0.040 0.000 0.919 46 S CB 0.506 63.671 63.200 -0.058 0.000 0.778 46 S HN 0.997 9.307 8.310 -0.000 0.000 0.523 47 G N 1.103 109.884 108.800 -0.032 0.000 2.162 47 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.260 47 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.260 47 G C -0.004 174.887 174.900 -0.015 0.000 0.976 47 G CA 0.356 45.442 45.100 -0.024 0.000 0.655 47 G HN 0.597 8.887 8.290 -0.000 0.000 0.533 48 I N 1.778 122.335 120.570 -0.021 0.000 2.441 48 I HA 0.476 4.645 4.170 -0.001 0.000 0.287 48 I C 1.366 177.489 176.117 0.011 0.000 1.049 48 I CA 0.177 61.472 61.300 -0.008 0.000 1.381 48 I CB 1.220 39.192 38.000 -0.048 0.000 1.409 48 I HN 0.135 8.345 8.210 -0.000 0.000 0.523 49 G N 6.413 115.242 108.800 0.049 0.000 2.390 49 G HA2 0.491 4.450 3.960 -0.001 0.000 0.270 49 G HA3 0.491 4.450 3.960 -0.001 0.000 0.270 49 G C -1.080 173.889 174.900 0.115 0.000 1.211 49 G CA -0.284 44.858 45.100 0.070 0.000 0.842 49 G HN 0.431 8.721 8.290 -0.000 0.000 0.519 50 L N 2.256 123.522 121.223 0.072 0.000 2.386 50 L HA 0.624 4.963 4.340 -0.001 0.000 0.271 50 L C -0.483 176.413 176.870 0.044 0.000 0.993 50 L CA -0.775 54.103 54.840 0.063 0.000 0.819 50 L CB 1.888 43.954 42.059 0.013 0.000 1.294 50 L HN 0.450 8.680 8.230 -0.000 0.000 0.414 51 I N 5.130 125.707 120.570 0.013 0.000 2.359 51 I HA 0.308 4.477 4.170 -0.001 0.000 0.294 51 I C -1.020 175.075 176.117 -0.037 0.000 0.987 51 I CA -0.725 60.579 61.300 0.008 0.000 1.225 51 I CB 1.716 39.619 38.000 -0.162 0.000 1.366 51 I HN 0.408 8.618 8.210 -0.000 0.000 0.466 52 L N 6.907 128.140 121.223 0.018 0.000 2.324 52 L HA 0.466 4.805 4.340 -0.001 0.000 0.274 52 L C -0.797 176.108 176.870 0.058 0.000 1.012 52 L CA -0.228 54.632 54.840 0.033 0.000 0.859 52 L CB 0.716 42.839 42.059 0.107 0.000 1.224 52 L HN 0.401 8.631 8.230 -0.000 0.000 0.429 53 D N 3.521 123.926 120.400 0.009 0.000 2.372 53 D HA 0.183 4.822 4.640 -0.001 0.000 0.243 53 D C 1.572 177.947 176.300 0.125 0.000 1.121 53 D CA 0.289 54.313 54.000 0.039 0.000 0.898 53 D CB 1.123 41.957 40.800 0.057 0.000 1.202 53 D HN 0.620 8.990 8.370 -0.000 0.000 0.428 54 I N -1.195 119.387 120.570 0.019 0.000 2.876 54 I HA 0.280 4.449 4.170 -0.001 0.000 0.264 54 I C 0.760 176.945 176.117 0.114 0.000 1.204 54 I CA 0.175 61.439 61.300 -0.060 0.000 1.485 54 I CB -0.260 37.403 38.000 -0.562 0.000 1.103 54 I HN 0.408 8.618 8.210 -0.000 0.000 0.446 55 G N 2.300 111.170 108.800 0.117 0.000 3.225 55 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.686 55 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.686 55 G C -0.256 174.673 174.900 0.049 0.000 1.105 55 G CA -0.187 45.002 45.100 0.149 0.000 0.831 55 G HN 0.201 8.491 8.290 -0.000 0.000 0.578 56 N N 0.829 119.555 118.700 0.043 0.000 2.272 56 N HA -0.086 4.653 4.740 -0.001 0.000 0.185 56 N C 2.069 177.570 175.510 -0.015 0.000 1.014 56 N CA 1.590 54.641 53.050 0.001 0.000 0.870 56 N CB -0.071 38.417 38.487 0.002 0.000 0.975 56 N HN 0.869 9.249 8.380 -0.000 0.000 0.433 57 D N -0.510 119.888 120.400 -0.002 0.000 2.371 57 D HA -0.113 4.526 4.640 -0.001 0.000 0.221 57 D C 0.884 177.182 176.300 -0.003 0.000 0.986 57 D CA 0.615 54.611 54.000 -0.007 0.000 0.899 57 D CB 0.096 40.892 40.800 -0.006 0.000 0.902 57 D HN 0.191 8.561 8.370 -0.000 0.000 0.530 58 Q N -0.090 119.704 119.800 -0.011 0.000 2.378 58 Q HA 0.098 4.437 4.340 -0.001 0.000 0.216 58 Q C 2.171 178.111 176.000 -0.100 0.000 0.892 58 Q CA -0.231 55.549 55.803 -0.039 0.000 0.931 58 Q CB 0.077 28.780 28.738 -0.058 0.000 1.086 58 Q HN 0.241 8.511 8.270 -0.000 0.000 0.528 59 L N 1.435 122.601 121.223 -0.095 0.000 1.991 59 L HA -0.246 4.093 4.340 -0.001 0.000 0.221 59 L C 2.133 178.949 176.870 -0.090 0.000 1.079 59 L CA 2.509 57.285 54.840 -0.106 0.000 0.778 59 L CB -0.878 41.130 42.059 -0.085 0.000 0.893 59 L HN 0.179 8.409 8.230 -0.000 0.000 0.437 60 A N -1.117 121.664 122.820 -0.066 0.000 1.933 60 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 60 A C 2.168 179.726 177.584 -0.044 0.000 1.175 60 A CA 1.916 53.922 52.037 -0.053 0.000 0.628 60 A CB -0.941 18.034 19.000 -0.042 0.000 0.814 60 A HN 0.647 8.797 8.150 -0.000 0.000 0.444 61 N N 0.051 118.728 118.700 -0.039 0.000 2.106 61 N HA -0.060 4.679 4.740 -0.001 0.000 0.188 61 N C 1.453 176.945 175.510 -0.030 0.000 1.029 61 N CA 1.695 54.733 53.050 -0.020 0.000 0.848 61 N CB -0.343 38.145 38.487 0.002 0.000 1.007 61 N HN 0.492 8.872 8.380 -0.000 0.000 0.423 62 I N 0.017 120.543 120.570 -0.073 0.000 2.394 62 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 62 I C 2.069 178.146 176.117 -0.067 0.000 1.136 62 I CA 0.886 62.130 61.300 -0.093 0.000 1.425 62 I CB -0.239 37.630 38.000 -0.217 0.000 1.079 62 I HN 0.188 8.398 8.210 -0.000 0.000 0.425 63 A N 0.656 123.436 122.820 -0.066 0.000 1.968 63 A HA -0.035 4.285 4.320 -0.001 0.000 0.217 63 A C 2.557 180.122 177.584 -0.032 0.000 1.169 63 A CA 1.339 53.346 52.037 -0.050 0.000 0.638 63 A CB -0.594 18.373 19.000 -0.055 0.000 0.812 63 A HN 0.390 8.540 8.150 -0.000 0.000 0.446 64 A N -0.051 122.754 122.820 -0.026 0.000 1.873 64 A HA 0.086 4.405 4.320 -0.001 0.000 0.218 64 A C 1.403 178.983 177.584 -0.007 0.000 1.193 64 A CA 2.049 54.077 52.037 -0.015 0.000 0.629 64 A CB -0.683 18.312 19.000 -0.009 0.000 0.826 64 A HN 1.422 9.572 8.150 -0.000 0.000 0.447 65 S N -5.146 110.553 115.700 -0.002 0.000 2.547 65 S HA 0.419 4.889 4.470 -0.001 0.000 0.270 65 S C 0.281 174.887 174.600 0.010 0.000 1.150 65 S CA 0.201 58.404 58.200 0.004 0.000 0.850 65 S CB 0.898 64.104 63.200 0.010 0.000 1.118 65 S HN 0.157 8.467 8.310 -0.000 0.000 0.461 66 T N 2.209 116.771 114.554 0.012 0.000 2.803 66 T HA -0.104 4.245 4.350 -0.001 0.000 0.269 66 T C 2.044 176.763 174.700 0.032 0.000 1.052 66 T CA 2.133 64.245 62.100 0.019 0.000 1.136 66 T CB -0.695 68.183 68.868 0.016 0.000 0.864 66 T HN 0.867 9.107 8.240 -0.000 0.000 0.467 67 S N 2.342 118.060 115.700 0.030 0.000 2.368 67 S HA -0.129 4.340 4.470 -0.001 0.000 0.224 67 S C 1.946 176.578 174.600 0.054 0.000 1.029 67 S CA 0.971 59.194 58.200 0.038 0.000 0.988 67 S CB -0.542 62.676 63.200 0.029 0.000 0.838 67 S HN 0.386 8.696 8.310 -0.000 0.000 0.462 68 N N 2.940 121.671 118.700 0.051 0.000 2.069 68 N HA 0.033 4.772 4.740 -0.001 0.000 0.191 68 N C 1.932 177.510 175.510 0.113 0.000 1.031 68 N CA 1.625 54.718 53.050 0.072 0.000 0.852 68 N CB -0.968 37.548 38.487 0.048 0.000 1.018 68 N HN 0.578 8.958 8.380 -0.000 0.000 0.423 69 A N 0.699 123.569 122.820 0.082 0.000 1.877 69 A HA 0.020 4.339 4.320 -0.001 0.000 0.216 69 A C 2.322 180.005 177.584 0.165 0.000 1.186 69 A CA 1.994 54.094 52.037 0.105 0.000 0.620 69 A CB -1.069 17.954 19.000 0.039 0.000 0.822 69 A HN 0.321 8.471 8.150 -0.000 0.000 0.443 70 A N -0.891 121.994 122.820 0.108 0.000 1.908 70 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 70 A C 2.498 180.145 177.584 0.105 0.000 1.181 70 A CA 2.275 54.367 52.037 0.093 0.000 0.627 70 A CB -1.034 18.001 19.000 0.058 0.000 0.818 70 A HN 0.545 8.695 8.150 -0.000 0.000 0.445 71 S N -2.088 113.678 115.700 0.110 0.000 2.368 71 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 71 S C 1.647 176.326 174.600 0.132 0.000 1.030 71 S CA 1.611 59.870 58.200 0.098 0.000 0.999 71 S CB -0.472 62.784 63.200 0.095 0.000 0.844 71 S HN 0.733 9.043 8.310 -0.000 0.000 0.459 72 W N 1.634 122.946 121.300 0.020 0.000 2.358 72 W HA -0.110 4.549 4.660 -0.001 0.000 0.303 72 W C 1.984 178.523 176.519 0.033 0.000 1.208 72 W CA 1.434 58.797 57.345 0.030 0.000 1.274 72 W CB -0.549 28.928 29.460 0.029 0.000 1.138 72 W HN 0.084 8.264 8.180 -0.000 0.000 0.515 73 V N 0.447 120.511 119.914 0.250 0.000 2.295 73 V HA -0.362 3.757 4.120 -0.001 0.000 0.246 73 V C 2.368 178.441 176.094 -0.036 0.000 1.049 73 V CA 2.376 64.746 62.300 0.116 0.000 1.024 73 V CB -1.151 30.764 31.823 0.153 0.000 0.648 73 V HN 0.271 8.461 8.190 -0.000 0.000 0.447 74 Q N -0.049 119.742 119.800 -0.016 0.000 2.061 74 Q HA -0.238 4.102 4.340 -0.001 0.000 0.204 74 Q C 2.163 178.099 176.000 -0.105 0.000 0.984 74 Q CA 1.930 57.704 55.803 -0.048 0.000 0.846 74 Q CB -0.098 28.627 28.738 -0.022 0.000 0.902 74 Q HN 0.651 8.921 8.270 -0.000 0.000 0.421 75 N N 0.106 118.727 118.700 -0.133 0.000 2.300 75 N HA -0.054 4.686 4.740 -0.001 0.000 0.179 75 N C 0.650 176.036 175.510 -0.206 0.000 1.016 75 N CA 0.885 53.837 53.050 -0.163 0.000 0.876 75 N CB 0.022 38.425 38.487 -0.141 0.000 0.979 75 N HN 0.319 8.699 8.380 -0.000 0.000 0.432 76 N N -0.384 118.091 118.700 -0.375 0.000 2.171 76 N HA 0.135 4.874 4.740 -0.001 0.000 0.212 76 N C 0.682 176.108 175.510 -0.141 0.000 1.184 76 N CA 0.132 52.968 53.050 -0.357 0.000 0.888 76 N CB 1.665 39.546 38.487 -1.010 0.000 1.038 76 N HN 0.000 8.380 8.380 -0.000 0.000 0.517 77 V N 0.318 120.174 119.914 -0.096 0.000 3.177 77 V HA 0.097 4.216 4.120 -0.001 0.000 0.219 77 V C 2.051 178.161 176.094 0.027 0.000 1.344 77 V CA 0.138 62.458 62.300 0.033 0.000 1.324 77 V CB 0.351 32.164 31.823 -0.016 0.000 1.165 77 V HN -0.017 8.173 8.190 -0.000 0.000 0.510 78 R N 1.183 121.647 120.500 -0.059 0.000 2.113 78 R HA -0.169 4.170 4.340 -0.001 0.000 0.244 78 R C -0.533 175.675 176.300 -0.152 0.000 1.142 78 R CA 2.226 58.286 56.100 -0.067 0.000 0.953 78 R CB -1.663 28.591 30.300 -0.077 0.000 0.860 78 R HN 0.463 8.733 8.270 -0.000 0.000 0.438 79 P HA -0.043 4.377 4.420 -0.000 0.000 0.245 79 P C -0.037 176.825 177.300 -0.729 0.000 1.212 79 P CA 1.060 63.812 63.100 -0.581 0.000 0.774 79 P CB 0.112 31.331 31.700 -0.803 0.000 0.999 80 Y N -3.856 116.451 120.300 0.012 0.000 2.512 80 Y HA 0.249 4.798 4.550 -0.001 0.000 0.268 80 Y C 0.857 176.797 175.900 0.066 0.000 1.102 80 Y CA -0.758 57.354 58.100 0.020 0.000 1.261 80 Y CB -0.449 38.014 38.460 0.004 0.000 1.250 80 Y HN -0.178 8.102 8.280 -0.000 0.000 0.506 81 Y N 4.792 125.139 120.300 0.078 0.000 2.301 81 Y HA 0.370 4.919 4.550 -0.001 0.000 0.325 81 Y C -1.686 174.218 175.900 0.006 0.000 1.203 81 Y CA -2.697 55.428 58.100 0.042 0.000 1.255 81 Y CB 1.188 39.669 38.460 0.035 0.000 1.232 81 Y HN -0.124 8.156 8.280 -0.000 0.000 0.501 82 P HA 0.177 4.597 4.420 -0.000 0.000 0.258 82 P C 0.145 177.214 177.300 -0.386 0.000 1.416 82 P CA 0.561 63.057 63.100 -1.006 0.000 0.927 82 P CB 0.210 31.346 31.700 -0.940 0.000 1.444 83 A N 0.077 122.798 122.820 -0.165 0.000 2.015 83 A HA 0.058 4.377 4.320 -0.001 0.000 0.219 83 A C 1.130 178.694 177.584 -0.034 0.000 1.163 83 A CA 0.913 52.906 52.037 -0.073 0.000 0.646 83 A CB -0.391 18.598 19.000 -0.018 0.000 0.806 83 A HN 0.173 8.323 8.150 -0.000 0.000 0.448 84 V N 1.054 120.977 119.914 0.016 0.000 2.417 84 V HA 0.160 4.279 4.120 -0.001 0.000 0.291 84 V C 0.169 176.305 176.094 0.071 0.000 1.024 84 V CA -0.754 61.573 62.300 0.046 0.000 0.861 84 V CB 1.322 33.196 31.823 0.085 0.000 0.985 84 V HN 0.532 8.722 8.190 -0.000 0.000 0.436 85 N N 5.381 124.103 118.700 0.036 0.000 3.050 85 N HA 0.211 4.951 4.740 -0.001 0.000 0.289 85 N C -0.200 175.377 175.510 0.110 0.000 1.209 85 N CA -0.370 52.719 53.050 0.066 0.000 1.154 85 N CB 0.101 38.596 38.487 0.013 0.000 1.444 85 N HN 0.620 9.000 8.380 -0.000 0.000 0.529 86 I N 2.783 123.480 120.570 0.212 0.000 2.494 86 I HA -0.054 4.115 4.170 -0.001 0.000 0.289 86 I C 1.254 177.381 176.117 0.017 0.000 1.106 86 I CA 0.245 61.604 61.300 0.098 0.000 1.369 86 I CB 0.763 38.812 38.000 0.082 0.000 1.410 86 I HN 0.297 8.507 8.210 -0.000 0.000 0.523 87 K N 5.200 125.520 120.400 -0.133 0.000 2.244 87 K HA 0.141 4.460 4.320 -0.001 0.000 0.200 87 K C -0.613 175.650 176.600 -0.562 0.000 1.052 87 K CA 0.740 56.773 56.287 -0.423 0.000 0.980 87 K CB 0.355 32.431 32.500 -0.708 0.000 0.838 87 K HN 0.379 8.629 8.250 -0.000 0.000 0.481 88 Y N -0.268 120.054 120.300 0.038 0.000 2.562 88 Y HA 0.466 5.015 4.550 -0.001 0.000 0.345 88 Y C -0.543 175.360 175.900 0.005 0.000 1.045 88 Y CA -1.203 56.905 58.100 0.015 0.000 1.028 88 Y CB 1.488 39.948 38.460 -0.000 0.000 1.297 88 Y HN -0.207 8.073 8.280 -0.000 0.000 0.463 89 I N 2.046 122.718 120.570 0.169 0.000 2.436 89 I HA 0.636 4.805 4.170 -0.001 0.000 0.289 89 I C -0.635 175.512 176.117 0.049 0.000 1.010 89 I CA -1.077 60.283 61.300 0.101 0.000 1.098 89 I CB 1.828 39.886 38.000 0.097 0.000 1.266 89 I HN 0.787 8.997 8.210 -0.000 0.000 0.434 90 A N 5.298 128.126 122.820 0.014 0.000 2.260 90 A HA 0.689 5.008 4.320 -0.001 0.000 0.312 90 A C 0.393 177.947 177.584 -0.051 0.000 1.321 90 A CA -0.454 51.572 52.037 -0.017 0.000 0.928 90 A CB 0.534 19.520 19.000 -0.023 0.000 1.158 90 A HN 0.814 8.964 8.150 -0.000 0.000 0.542 91 A N 2.987 125.769 122.820 -0.063 0.000 3.037 91 A HA 0.582 4.901 4.320 -0.001 0.000 0.272 91 A C 0.921 178.468 177.584 -0.062 0.000 1.723 91 A CA 0.466 52.444 52.037 -0.098 0.000 1.413 91 A CB -1.200 17.741 19.000 -0.099 0.000 1.112 91 A HN 2.604 10.754 8.150 -0.000 0.000 0.606 92 G N 0.419 109.193 108.800 -0.044 0.000 2.742 92 G HA2 0.100 4.060 3.960 -0.001 0.000 0.686 92 G HA3 0.100 4.060 3.960 -0.001 0.000 0.686 92 G C -1.092 173.819 174.900 0.018 0.000 1.220 92 G CA -0.516 44.574 45.100 -0.018 0.000 0.783 92 G HN 0.963 9.253 8.290 -0.000 0.000 0.646 93 N N 1.034 119.758 118.700 0.040 0.000 2.540 93 N HA 0.485 5.225 4.740 -0.001 0.000 0.275 93 N C 0.476 176.015 175.510 0.050 0.000 1.053 93 N CA 0.088 53.181 53.050 0.071 0.000 0.876 93 N CB 0.668 39.241 38.487 0.142 0.000 1.284 93 N HN 0.786 9.166 8.380 -0.000 0.000 0.518 94 E N 0.300 120.529 120.200 0.048 0.000 2.360 94 E HA -0.161 4.188 4.350 -0.001 0.000 0.238 94 E C -0.669 175.935 176.600 0.007 0.000 1.186 94 E CA 0.294 56.715 56.400 0.036 0.000 0.719 94 E CB -1.474 28.242 29.700 0.027 0.000 1.236 94 E HN 0.293 8.653 8.360 -0.000 0.000 0.386 95 V N 1.083 120.994 119.914 -0.004 0.000 2.572 95 V HA 0.028 4.147 4.120 -0.001 0.000 0.291 95 V C 0.723 176.772 176.094 -0.075 0.000 1.039 95 V CA 0.733 63.003 62.300 -0.051 0.000 1.055 95 V CB 1.105 32.879 31.823 -0.081 0.000 0.969 95 V HN 0.234 8.424 8.190 -0.000 0.000 0.482 96 Q N 2.035 121.785 119.800 -0.084 0.000 2.458 96 Q HA 0.712 5.051 4.340 -0.001 0.000 0.282 96 Q C 0.418 176.352 176.000 -0.110 0.000 1.106 96 Q CA -0.006 55.745 55.803 -0.087 0.000 0.814 96 Q CB 2.334 31.041 28.738 -0.051 0.000 1.425 96 Q HN 1.114 9.384 8.270 -0.000 0.000 0.437 97 G N -0.033 108.702 108.800 -0.108 0.000 2.584 97 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.229 97 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.229 97 G C 0.558 175.378 174.900 -0.133 0.000 1.320 97 G CA -0.319 44.721 45.100 -0.100 0.000 0.891 97 G HN 0.889 9.179 8.290 -0.000 0.000 0.573 98 G N -0.167 108.571 108.800 -0.103 0.000 2.559 98 G HA2 0.335 4.294 3.960 -0.001 0.000 0.216 98 G HA3 0.335 4.294 3.960 -0.001 0.000 0.216 98 G C 1.883 176.707 174.900 -0.127 0.000 1.126 98 G CA 2.313 47.349 45.100 -0.106 0.000 0.778 98 G HN 1.908 10.198 8.290 -0.000 0.000 0.543 99 A N 0.914 123.655 122.820 -0.132 0.000 2.066 99 A HA 0.027 4.346 4.320 -0.001 0.000 0.218 99 A C 2.538 180.006 177.584 -0.193 0.000 1.157 99 A CA 2.054 54.011 52.037 -0.133 0.000 0.670 99 A CB -0.764 18.171 19.000 -0.108 0.000 0.804 99 A HN 0.469 8.619 8.150 -0.000 0.000 0.453 100 T N -2.259 112.117 114.554 -0.298 0.000 3.098 100 T HA -0.127 4.222 4.350 -0.001 0.000 0.266 100 T C 1.455 175.910 174.700 -0.409 0.000 1.145 100 T CA 1.374 63.162 62.100 -0.521 0.000 1.092 100 T CB -0.380 67.885 68.868 -1.006 0.000 0.908 100 T HN 0.649 8.889 8.240 -0.000 0.000 0.526 101 Q N 0.736 120.393 119.800 -0.237 0.000 2.389 101 Q HA 0.135 4.474 4.340 -0.001 0.000 0.204 101 Q C 2.106 178.047 176.000 -0.099 0.000 0.944 101 Q CA 0.820 56.538 55.803 -0.142 0.000 0.908 101 Q CB 0.135 28.813 28.738 -0.100 0.000 1.002 101 Q HN 0.532 8.802 8.270 -0.000 0.000 0.493 102 S N 0.413 116.048 115.700 -0.109 0.000 2.562 102 S HA 0.072 4.541 4.470 -0.001 0.000 0.221 102 S C 1.704 176.260 174.600 -0.074 0.000 0.975 102 S CA 0.233 58.385 58.200 -0.081 0.000 0.918 102 S CB 0.079 63.229 63.200 -0.082 0.000 0.772 102 S HN 0.285 8.595 8.310 -0.000 0.000 0.531 103 I N 0.770 121.294 120.570 -0.077 0.000 2.202 103 I HA -0.162 4.008 4.170 -0.001 0.000 0.242 103 I C 2.213 178.320 176.117 -0.016 0.000 1.091 103 I CA 0.919 62.194 61.300 -0.040 0.000 1.368 103 I CB -0.231 37.768 38.000 -0.001 0.000 1.058 103 I HN 0.246 8.456 8.210 -0.000 0.000 0.410 104 L N 1.226 122.450 121.223 0.001 0.000 1.994 104 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 104 L C -0.458 176.403 176.870 -0.014 0.000 1.071 104 L CA 2.387 57.229 54.840 0.003 0.000 0.745 104 L CB -1.688 40.380 42.059 0.014 0.000 0.892 104 L HN 0.071 8.301 8.230 -0.000 0.000 0.431 105 P HA -0.173 4.247 4.420 -0.000 0.000 0.215 105 P C 1.487 178.767 177.300 -0.035 0.000 1.153 105 P CA 2.078 65.163 63.100 -0.025 0.000 0.853 105 P CB -0.183 31.501 31.700 -0.028 0.000 0.788 106 A N -0.634 122.155 122.820 -0.051 0.000 1.902 106 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 106 A C 2.308 179.853 177.584 -0.065 0.000 1.181 106 A CA 1.962 53.955 52.037 -0.073 0.000 0.623 106 A CB -1.442 17.495 19.000 -0.104 0.000 0.818 106 A HN 0.094 8.244 8.150 -0.000 0.000 0.443 107 M N -1.111 118.460 119.600 -0.048 0.000 2.080 107 M HA -0.198 4.281 4.480 -0.001 0.000 0.260 107 M C 2.446 178.735 176.300 -0.019 0.000 1.068 107 M CA 1.780 57.061 55.300 -0.032 0.000 1.109 107 M CB -0.379 32.210 32.600 -0.018 0.000 1.342 107 M HN 0.365 8.655 8.290 -0.000 0.000 0.405 108 R N 0.034 120.526 120.500 -0.015 0.000 2.073 108 R HA -0.096 4.243 4.340 -0.001 0.000 0.234 108 R C 1.976 178.273 176.300 -0.005 0.000 1.134 108 R CA 1.377 57.473 56.100 -0.006 0.000 0.952 108 R CB -0.511 29.787 30.300 -0.004 0.000 0.850 108 R HN 0.407 8.677 8.270 -0.000 0.000 0.433 109 N N 0.733 119.426 118.700 -0.012 0.000 2.120 109 N HA -0.149 4.591 4.740 -0.001 0.000 0.188 109 N C 1.655 177.165 175.510 0.000 0.000 1.024 109 N CA 0.963 54.009 53.050 -0.007 0.000 0.852 109 N CB -0.263 38.215 38.487 -0.014 0.000 1.003 109 N HN 0.048 8.428 8.380 -0.000 0.000 0.424 110 L N 1.845 123.059 121.223 -0.014 0.000 2.046 110 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 110 L C 1.799 178.679 176.870 0.016 0.000 1.077 110 L CA 1.425 56.264 54.840 -0.002 0.000 0.747 110 L CB -1.144 40.890 42.059 -0.042 0.000 0.896 110 L HN 0.167 8.397 8.230 -0.000 0.000 0.432 111 N N -0.267 118.438 118.700 0.009 0.000 2.069 111 N HA -0.161 4.578 4.740 -0.001 0.000 0.191 111 N C 1.819 177.339 175.510 0.016 0.000 1.031 111 N CA 1.591 54.650 53.050 0.014 0.000 0.852 111 N CB -0.279 38.216 38.487 0.013 0.000 1.018 111 N HN 0.376 8.756 8.380 -0.000 0.000 0.423 112 A N 1.145 123.974 122.820 0.015 0.000 1.892 112 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 112 A C 2.380 179.976 177.584 0.021 0.000 1.188 112 A CA 2.387 54.434 52.037 0.016 0.000 0.631 112 A CB -0.962 18.046 19.000 0.014 0.000 0.822 112 A HN 0.360 8.510 8.150 -0.000 0.000 0.447 113 A N -0.748 122.089 122.820 0.028 0.000 1.969 113 A HA 0.060 4.379 4.320 -0.001 0.000 0.218 113 A C 2.152 179.756 177.584 0.034 0.000 1.169 113 A CA 1.397 53.457 52.037 0.038 0.000 0.635 113 A CB -0.496 18.540 19.000 0.060 0.000 0.810 113 A HN 0.479 8.629 8.150 -0.000 0.000 0.445 114 L N -0.211 121.029 121.223 0.029 0.000 2.109 114 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 114 L C 2.808 179.682 176.870 0.007 0.000 1.086 114 L CA 1.247 56.094 54.840 0.012 0.000 0.760 114 L CB -0.393 41.666 42.059 0.001 0.000 0.910 114 L HN 0.371 8.601 8.230 -0.000 0.000 0.437 115 S N 0.583 116.291 115.700 0.013 0.000 2.345 115 S HA -0.168 4.301 4.470 -0.001 0.000 0.220 115 S C 2.287 176.896 174.600 0.015 0.000 1.031 115 S CA 1.057 59.266 58.200 0.014 0.000 0.996 115 S CB -0.551 62.659 63.200 0.016 0.000 0.882 115 S HN 0.446 8.756 8.310 -0.000 0.000 0.445 116 A N 1.966 124.796 122.820 0.017 0.000 1.927 116 A HA -0.024 4.295 4.320 -0.001 0.000 0.220 116 A C 2.338 179.932 177.584 0.016 0.000 1.185 116 A CA 1.964 54.011 52.037 0.017 0.000 0.639 116 A CB -1.183 17.828 19.000 0.019 0.000 0.820 116 A HN 0.620 8.770 8.150 -0.000 0.000 0.451 117 A N -1.979 120.850 122.820 0.016 0.000 2.167 117 A HA 0.386 4.705 4.320 -0.001 0.000 0.214 117 A C 1.814 179.409 177.584 0.018 0.000 1.151 117 A CA 1.312 53.358 52.037 0.015 0.000 0.735 117 A CB -0.974 18.033 19.000 0.012 0.000 0.802 117 A HN 2.084 10.234 8.150 -0.000 0.000 0.467 118 G N -1.180 107.631 108.800 0.018 0.000 2.212 118 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.255 118 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.255 118 G C 0.132 175.050 174.900 0.030 0.000 1.062 118 G CA 0.278 45.394 45.100 0.025 0.000 0.815 118 G HN 0.572 8.862 8.290 -0.000 0.000 0.497 119 L N 0.270 121.496 121.223 0.004 0.000 3.209 119 L HA 0.357 4.696 4.340 -0.001 0.000 0.279 119 L C 2.141 178.983 176.870 -0.047 0.000 1.301 119 L CA 0.204 55.020 54.840 -0.039 0.000 1.004 119 L CB 0.383 42.373 42.059 -0.115 0.000 1.402 119 L HN 0.280 8.510 8.230 -0.000 0.000 0.577 120 G N 0.125 108.924 108.800 -0.002 0.000 2.535 120 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 120 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 120 G C 1.531 176.437 174.900 0.011 0.000 1.122 120 G CA 0.890 45.993 45.100 0.007 0.000 0.769 120 G HN 0.508 8.798 8.290 -0.000 0.000 0.549 121 A N 0.041 122.872 122.820 0.018 0.000 2.119 121 A HA 0.316 4.635 4.320 -0.001 0.000 0.217 121 A C 1.086 178.673 177.584 0.004 0.000 1.153 121 A CA 0.059 52.121 52.037 0.040 0.000 0.692 121 A CB -0.114 18.950 19.000 0.107 0.000 0.799 121 A HN 0.354 8.504 8.150 -0.000 0.000 0.458 122 I N 1.408 121.939 120.570 -0.066 0.000 2.337 122 I HA 0.146 4.315 4.170 -0.001 0.000 0.291 122 I C -0.277 175.838 176.117 -0.004 0.000 1.046 122 I CA -0.530 60.717 61.300 -0.088 0.000 1.324 122 I CB 0.920 38.795 38.000 -0.207 0.000 1.409 122 I HN -0.032 8.178 8.210 -0.000 0.000 0.494 123 K N 5.714 126.147 120.400 0.055 0.000 2.205 123 K HA 0.459 4.778 4.320 -0.001 0.000 0.279 123 K C -0.574 176.117 176.600 0.152 0.000 1.027 123 K CA -0.595 55.773 56.287 0.134 0.000 0.932 123 K CB 2.041 34.686 32.500 0.242 0.000 1.032 123 K HN 0.274 8.524 8.250 -0.000 0.000 0.466 124 V N 1.736 121.708 119.914 0.096 0.000 2.427 124 V HA 0.399 4.518 4.120 -0.001 0.000 0.286 124 V C 0.507 176.628 176.094 0.046 0.000 1.034 124 V CA -0.238 62.099 62.300 0.062 0.000 0.893 124 V CB 1.454 33.293 31.823 0.027 0.000 0.982 124 V HN 0.893 9.083 8.190 -0.000 0.000 0.452 125 S N 3.197 118.912 115.700 0.026 0.000 2.973 125 S HA 0.746 5.215 4.470 -0.001 0.000 0.317 125 S C -0.691 173.896 174.600 -0.021 0.000 1.196 125 S CA -0.170 58.026 58.200 -0.007 0.000 0.894 125 S CB 2.217 65.394 63.200 -0.040 0.000 1.292 125 S HN 0.789 9.099 8.310 -0.000 0.000 0.614 126 T N 0.474 115.010 114.554 -0.030 0.000 2.894 126 T HA 0.605 4.955 4.350 -0.001 0.000 0.309 126 T C -1.663 173.026 174.700 -0.019 0.000 1.208 126 T CA -0.309 61.779 62.100 -0.019 0.000 1.016 126 T CB 1.592 70.459 68.868 -0.002 0.000 1.192 126 T HN 0.468 8.708 8.240 -0.000 0.000 0.491 127 S N 3.087 118.788 115.700 0.002 0.000 2.438 127 S HA 0.656 5.125 4.470 -0.001 0.000 0.316 127 S C 0.017 174.644 174.600 0.045 0.000 1.084 127 S CA -0.833 57.379 58.200 0.020 0.000 1.107 127 S CB -0.573 62.648 63.200 0.034 0.000 0.981 127 S HN 0.593 8.903 8.310 -0.000 0.000 0.466 128 I N 2.518 123.116 120.570 0.046 0.000 2.947 128 I HA 0.697 4.866 4.170 -0.001 0.000 0.314 128 I C -0.064 176.116 176.117 0.105 0.000 1.028 128 I CA -1.296 60.040 61.300 0.060 0.000 1.077 128 I CB 1.139 39.146 38.000 0.012 0.000 1.274 128 I HN 0.375 8.585 8.210 -0.000 0.000 0.485 129 R N 1.409 121.974 120.500 0.109 0.000 2.500 129 R HA 0.277 4.617 4.340 -0.001 0.000 0.277 129 R C 0.246 176.657 176.300 0.186 0.000 1.026 129 R CA -0.620 55.578 56.100 0.163 0.000 1.058 129 R CB 0.916 31.288 30.300 0.120 0.000 1.078 129 R HN 0.732 9.002 8.270 -0.000 0.000 0.509 130 F N 2.815 122.840 119.950 0.125 0.000 2.202 130 F HA -0.212 4.314 4.527 -0.001 0.000 0.301 130 F C 2.012 177.867 175.800 0.092 0.000 1.082 130 F CA 2.055 60.119 58.000 0.107 0.000 1.313 130 F CB -0.139 38.935 39.000 0.123 0.000 1.024 130 F HN 0.677 8.977 8.300 -0.000 0.000 0.495 131 D N -0.357 120.089 120.400 0.078 0.000 2.411 131 D HA -0.208 4.431 4.640 -0.001 0.000 0.226 131 D C 1.372 177.641 176.300 -0.051 0.000 0.988 131 D CA 0.864 54.866 54.000 0.003 0.000 0.938 131 D CB -0.464 40.365 40.800 0.049 0.000 0.883 131 D HN 0.347 8.717 8.370 -0.000 0.000 0.525 132 E N -0.099 120.065 120.200 -0.060 0.000 2.358 132 E HA 0.045 4.394 4.350 -0.001 0.000 0.195 132 E C 0.200 176.807 176.600 0.011 0.000 1.010 132 E CA 0.107 56.499 56.400 -0.014 0.000 0.856 132 E CB 0.710 30.399 29.700 -0.018 0.000 0.795 132 E HN 0.210 8.570 8.360 -0.000 0.000 0.504 133 V N 1.666 121.472 119.914 -0.180 0.000 2.350 133 V HA 0.419 4.538 4.120 -0.001 0.000 0.276 133 V C 0.207 176.148 176.094 -0.255 0.000 1.028 133 V CA -0.660 61.481 62.300 -0.265 0.000 0.860 133 V CB 1.165 32.644 31.823 -0.574 0.000 0.990 133 V HN 0.042 8.232 8.190 -0.000 0.000 0.453 134 A N 4.264 127.002 122.820 -0.136 0.000 2.295 134 A HA 0.645 4.964 4.320 -0.001 0.000 0.318 134 A C 0.661 178.199 177.584 -0.078 0.000 1.134 134 A CA -0.557 51.431 52.037 -0.081 0.000 0.827 134 A CB 0.142 19.118 19.000 -0.040 0.000 1.136 134 A HN 0.953 9.103 8.150 -0.000 0.000 0.493 135 N N 0.511 119.195 118.700 -0.027 0.000 2.696 135 N HA -0.161 4.578 4.740 -0.001 0.000 0.256 135 N C 0.847 176.354 175.510 -0.006 0.000 1.031 135 N CA 1.123 54.171 53.050 -0.004 0.000 0.730 135 N CB -1.571 36.903 38.487 -0.022 0.000 0.894 135 N HN 0.895 9.275 8.380 -0.000 0.000 0.544 136 S N -1.864 113.867 115.700 0.051 0.000 2.555 136 S HA 0.042 4.512 4.470 -0.001 0.000 0.230 136 S C 0.314 175.004 174.600 0.151 0.000 0.978 136 S CA 0.137 58.408 58.200 0.119 0.000 0.934 136 S CB 0.136 63.525 63.200 0.315 0.000 0.766 136 S HN 0.409 8.719 8.310 -0.000 0.000 0.533 137 F N 3.484 123.452 119.950 0.030 0.000 2.536 137 F HA 0.544 5.070 4.527 -0.001 0.000 0.322 137 F C -2.580 173.220 175.800 -0.000 0.000 1.144 137 F CA -2.353 55.653 58.000 0.010 0.000 0.924 137 F CB 1.521 40.536 39.000 0.025 0.000 1.181 137 F HN -0.101 8.199 8.300 -0.000 0.000 0.438 138 P HA 0.252 4.672 4.420 -0.000 0.000 0.272 138 P C -2.533 174.413 177.300 -0.590 0.000 1.230 138 P CA -1.147 61.042 63.100 -1.517 0.000 0.788 138 P CB 0.724 31.781 31.700 -1.071 0.000 0.949 139 P HA -0.241 4.179 4.420 -0.000 0.000 0.218 139 P C 1.732 178.947 177.300 -0.143 0.000 1.154 139 P CA 2.265 65.224 63.100 -0.235 0.000 0.872 139 P CB -0.451 31.037 31.700 -0.353 0.000 0.790 140 S N -0.781 114.836 115.700 -0.139 0.000 2.440 140 S HA -0.144 4.325 4.470 -0.001 0.000 0.238 140 S C 1.989 176.532 174.600 -0.095 0.000 1.010 140 S CA 1.212 59.365 58.200 -0.077 0.000 0.972 140 S CB -1.318 61.847 63.200 -0.058 0.000 0.774 140 S HN 0.184 8.494 8.310 -0.000 0.000 0.501 141 A N 1.866 124.608 122.820 -0.130 0.000 2.067 141 A HA 0.464 4.783 4.320 -0.001 0.000 0.217 141 A C 1.486 179.006 177.584 -0.106 0.000 1.156 141 A CA 0.396 52.367 52.037 -0.110 0.000 0.683 141 A CB -1.236 17.695 19.000 -0.116 0.000 0.808 141 A HN 0.645 8.795 8.150 -0.000 0.000 0.455 142 G N -0.647 108.082 108.800 -0.118 0.000 2.368 142 G HA2 0.374 4.333 3.960 -0.001 0.000 0.233 142 G HA3 0.374 4.333 3.960 -0.001 0.000 0.233 142 G C -0.454 174.320 174.900 -0.210 0.000 1.267 142 G CA 0.822 45.827 45.100 -0.158 0.000 0.873 142 G HN 0.962 9.252 8.290 -0.000 0.000 0.539 143 V N 2.852 122.623 119.914 -0.238 0.000 3.077 143 V HA 0.555 4.674 4.120 -0.001 0.000 0.299 143 V C -1.202 174.763 176.094 -0.216 0.000 1.276 143 V CA -1.216 60.933 62.300 -0.252 0.000 0.993 143 V CB 1.757 33.506 31.823 -0.123 0.000 1.076 143 V HN 0.587 8.777 8.190 -0.000 0.000 0.434 144 F N 4.827 124.719 119.950 -0.097 0.000 2.506 144 F HA 0.345 4.871 4.527 -0.001 0.000 0.371 144 F C 1.444 177.185 175.800 -0.097 0.000 1.078 144 F CA 0.350 58.277 58.000 -0.122 0.000 1.195 144 F CB 0.941 39.855 39.000 -0.144 0.000 1.099 144 F HN 0.692 8.992 8.300 -0.000 0.000 0.548 145 K N 2.423 122.902 120.400 0.133 0.000 2.103 145 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 145 K C 0.057 176.688 176.600 0.052 0.000 1.052 145 K CA 0.969 57.290 56.287 0.057 0.000 0.945 145 K CB 0.140 32.660 32.500 0.033 0.000 0.722 145 K HN 0.473 8.723 8.250 -0.000 0.000 0.443 146 N N -0.036 118.685 118.700 0.034 0.000 2.456 146 N HA 0.156 4.896 4.740 -0.001 0.000 0.296 146 N C 0.102 175.612 175.510 -0.000 0.000 1.102 146 N CA 0.205 53.289 53.050 0.058 0.000 0.924 146 N CB 1.798 40.400 38.487 0.190 0.000 1.186 146 N HN 0.153 8.533 8.380 -0.000 0.000 0.492 147 A N 1.498 124.358 122.820 0.067 0.000 2.015 147 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 147 A C 1.616 179.212 177.584 0.021 0.000 1.163 147 A CA 1.108 53.169 52.037 0.039 0.000 0.646 147 A CB -0.846 18.187 19.000 0.054 0.000 0.806 147 A HN 0.808 8.958 8.150 -0.000 0.000 0.448 148 Y N -2.406 117.851 120.300 -0.072 0.000 2.421 148 Y HA -0.023 4.526 4.550 -0.001 0.000 0.292 148 Y C 1.812 177.625 175.900 -0.146 0.000 1.136 148 Y CA 1.071 59.116 58.100 -0.092 0.000 1.255 148 Y CB -0.439 37.968 38.460 -0.089 0.000 0.991 148 Y HN 0.133 8.413 8.280 -0.000 0.000 0.552 149 M N 0.544 119.613 119.600 -0.885 0.000 2.394 149 M HA -0.093 4.386 4.480 -0.001 0.000 0.264 149 M C 1.636 177.639 176.300 -0.496 0.000 1.073 149 M CA 1.272 55.979 55.300 -0.988 0.000 1.111 149 M CB -1.262 30.405 32.600 -1.554 0.000 1.401 149 M HN 0.378 8.668 8.290 -0.000 0.000 0.448 150 T N 0.349 114.773 114.554 -0.216 0.000 2.904 150 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 150 T C 1.327 176.002 174.700 -0.041 0.000 1.059 150 T CA 1.140 63.218 62.100 -0.036 0.000 1.137 150 T CB -0.027 68.849 68.868 0.014 0.000 0.879 150 T HN 0.320 8.560 8.240 -0.000 0.000 0.467 151 D N 0.762 121.127 120.400 -0.058 0.000 2.194 151 D HA 0.024 4.663 4.640 -0.001 0.000 0.204 151 D C 2.277 178.555 176.300 -0.037 0.000 0.964 151 D CA 0.505 54.491 54.000 -0.023 0.000 0.846 151 D CB -0.211 40.592 40.800 0.004 0.000 0.962 151 D HN 0.203 8.573 8.370 -0.000 0.000 0.490 152 V N 1.834 121.696 119.914 -0.088 0.000 2.295 152 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 152 V C 2.624 178.677 176.094 -0.069 0.000 1.049 152 V CA 1.855 64.103 62.300 -0.087 0.000 1.024 152 V CB -0.797 30.930 31.823 -0.159 0.000 0.648 152 V HN 0.160 8.350 8.190 -0.000 0.000 0.447 153 A N -0.125 122.646 122.820 -0.080 0.000 1.933 153 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 153 A C 2.361 179.962 177.584 0.028 0.000 1.175 153 A CA 1.830 53.873 52.037 0.009 0.000 0.628 153 A CB -0.484 18.578 19.000 0.103 0.000 0.814 153 A HN 0.520 8.670 8.150 -0.000 0.000 0.444 154 R N -1.377 119.133 120.500 0.017 0.000 2.148 154 R HA 0.012 4.351 4.340 -0.001 0.000 0.223 154 R C 1.972 178.283 176.300 0.017 0.000 1.088 154 R CA 1.018 57.131 56.100 0.022 0.000 0.985 154 R CB -0.307 30.005 30.300 0.019 0.000 0.880 154 R HN 0.491 8.761 8.270 -0.000 0.000 0.451 155 L N 0.702 121.931 121.223 0.009 0.000 2.095 155 L HA -0.035 4.305 4.340 -0.001 0.000 0.204 155 L C 1.765 178.645 176.870 0.017 0.000 1.080 155 L CA 1.536 56.383 54.840 0.011 0.000 0.759 155 L CB -0.225 41.836 42.059 0.004 0.000 0.914 155 L HN 0.092 8.322 8.230 -0.000 0.000 0.439 156 L N -0.422 120.811 121.223 0.017 0.000 2.083 156 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 156 L C 2.655 179.547 176.870 0.037 0.000 1.083 156 L CA 1.105 55.961 54.840 0.027 0.000 0.752 156 L CB -0.962 41.112 42.059 0.025 0.000 0.899 156 L HN 0.362 8.592 8.230 -0.000 0.000 0.433 157 A N 0.063 122.905 122.820 0.037 0.000 1.972 157 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 157 A C 2.478 180.082 177.584 0.034 0.000 1.169 157 A CA 2.004 54.064 52.037 0.039 0.000 0.635 157 A CB -0.494 18.528 19.000 0.038 0.000 0.810 157 A HN 0.532 8.682 8.150 -0.000 0.000 0.446 158 S N -1.246 114.471 115.700 0.029 0.000 2.486 158 S HA -0.054 4.415 4.470 -0.001 0.000 0.220 158 S C 1.622 176.239 174.600 0.028 0.000 1.011 158 S CA 1.254 59.469 58.200 0.026 0.000 0.921 158 S CB -0.657 62.555 63.200 0.021 0.000 0.785 158 S HN 0.714 9.024 8.310 -0.000 0.000 0.517 159 T N -2.661 111.912 114.554 0.032 0.000 3.044 159 T HA 0.466 4.815 4.350 -0.001 0.000 0.250 159 T C 1.496 176.223 174.700 0.046 0.000 1.081 159 T CA 0.509 62.630 62.100 0.035 0.000 1.040 159 T CB -0.274 68.615 68.868 0.034 0.000 0.962 159 T HN 1.179 9.419 8.240 -0.000 0.000 0.506 160 G N 1.346 110.175 108.800 0.049 0.000 2.225 160 G HA2 0.066 4.025 3.960 -0.001 0.000 0.264 160 G HA3 0.066 4.025 3.960 -0.001 0.000 0.264 160 G C 0.122 175.069 174.900 0.079 0.000 1.060 160 G CA -0.090 45.045 45.100 0.060 0.000 0.833 160 G HN 1.173 9.463 8.290 -0.000 0.000 0.498 161 A N 0.152 123.016 122.820 0.073 0.000 2.320 161 A HA 0.993 5.312 4.320 -0.001 0.000 0.334 161 A C -1.607 176.013 177.584 0.060 0.000 1.147 161 A CA -1.260 50.829 52.037 0.087 0.000 0.820 161 A CB 2.044 21.087 19.000 0.072 0.000 1.218 161 A HN 0.255 8.405 8.150 -0.000 0.000 0.482 162 P HA 0.493 4.913 4.420 -0.000 0.000 0.287 162 P C -1.155 176.116 177.300 -0.048 0.000 1.296 162 P CA -0.597 62.498 63.100 -0.007 0.000 0.811 162 P CB 1.024 32.693 31.700 -0.051 0.000 1.211 163 L N 0.665 121.874 121.223 -0.023 0.000 2.275 163 L HA 0.363 4.702 4.340 -0.001 0.000 0.288 163 L C -0.618 176.217 176.870 -0.058 0.000 1.046 163 L CA -0.536 54.289 54.840 -0.026 0.000 0.805 163 L CB -0.092 41.985 42.059 0.031 0.000 1.193 163 L HN 0.180 8.410 8.230 -0.000 0.000 0.426 164 L N 5.698 126.874 121.223 -0.077 0.000 2.276 164 L HA 0.732 5.071 4.340 -0.001 0.000 0.286 164 L C -0.017 176.850 176.870 -0.005 0.000 1.061 164 L CA -0.471 54.324 54.840 -0.076 0.000 0.807 164 L CB 1.201 43.195 42.059 -0.109 0.000 1.177 164 L HN 0.806 9.036 8.230 -0.000 0.000 0.429 165 A N 3.481 126.319 122.820 0.031 0.000 2.374 165 A HA 0.602 4.921 4.320 -0.001 0.000 0.305 165 A C -0.892 176.758 177.584 0.111 0.000 1.053 165 A CA -0.806 51.277 52.037 0.077 0.000 0.726 165 A CB 1.020 20.066 19.000 0.076 0.000 1.229 165 A HN 0.665 8.815 8.150 -0.000 0.000 0.431 166 N N 1.415 120.209 118.700 0.156 0.000 2.420 166 N HA 0.427 5.166 4.740 -0.001 0.000 0.249 166 N C -1.024 174.621 175.510 0.225 0.000 1.033 166 N CA -0.011 53.153 53.050 0.190 0.000 0.944 166 N CB 1.599 40.251 38.487 0.275 0.000 1.113 166 N HN 0.310 8.690 8.380 -0.000 0.000 0.502 167 V N 3.611 123.554 119.914 0.048 0.000 2.407 167 V HA 0.322 4.441 4.120 -0.001 0.000 0.291 167 V C -1.020 175.018 176.094 -0.094 0.000 1.018 167 V CA -0.685 61.635 62.300 0.033 0.000 0.842 167 V CB 0.611 32.402 31.823 -0.053 0.000 0.996 167 V HN 0.474 8.664 8.190 -0.000 0.000 0.426 168 Y N 5.573 125.901 120.300 0.047 0.000 2.686 168 Y HA 0.355 4.905 4.550 -0.001 0.000 0.331 168 Y C -1.844 174.006 175.900 -0.084 0.000 0.996 168 Y CA -2.043 56.033 58.100 -0.040 0.000 1.293 168 Y CB 1.817 40.139 38.460 -0.231 0.000 1.092 168 Y HN 0.470 8.750 8.280 -0.000 0.000 0.524 169 P HA -0.274 4.146 4.420 -0.000 0.000 0.217 169 P C 1.502 178.820 177.300 0.030 0.000 1.148 169 P CA 1.495 64.646 63.100 0.086 0.000 0.828 169 P CB 0.077 31.920 31.700 0.237 0.000 0.783 170 Y N -0.285 119.846 120.300 -0.282 0.000 2.053 170 Y HA -0.262 4.287 4.550 -0.001 0.000 0.277 170 Y C 1.972 177.717 175.900 -0.259 0.000 1.159 170 Y CA 1.670 59.350 58.100 -0.700 0.000 1.125 170 Y CB -1.232 36.523 38.460 -1.174 0.000 0.969 170 Y HN -0.149 8.131 8.280 -0.000 0.000 0.492 171 F N 0.006 119.777 119.950 -0.298 0.000 2.269 171 F HA -0.097 4.429 4.527 -0.001 0.000 0.301 171 F C 2.546 178.221 175.800 -0.209 0.000 1.082 171 F CA 0.725 58.538 58.000 -0.311 0.000 1.360 171 F CB -1.571 37.367 39.000 -0.103 0.000 1.041 171 F HN 0.209 8.509 8.300 -0.000 0.000 0.512 172 A N -0.712 122.140 122.820 0.054 0.000 1.872 172 A HA -0.206 4.113 4.320 -0.001 0.000 0.214 172 A C 2.133 179.754 177.584 0.062 0.000 1.187 172 A CA 1.196 53.269 52.037 0.060 0.000 0.614 172 A CB -1.432 17.594 19.000 0.044 0.000 0.826 172 A HN 0.364 8.514 8.150 -0.000 0.000 0.442 173 Y N 0.645 120.895 120.300 -0.083 0.000 2.097 173 Y HA -0.227 4.323 4.550 -0.001 0.000 0.282 173 Y C 2.497 178.399 175.900 0.003 0.000 1.152 173 Y CA 2.134 60.228 58.100 -0.011 0.000 1.136 173 Y CB -0.591 37.886 38.460 0.030 0.000 0.975 173 Y HN 0.292 8.572 8.280 -0.000 0.000 0.498 174 R N 0.096 120.398 120.500 -0.330 0.000 2.091 174 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 174 R C 1.429 177.534 176.300 -0.325 0.000 1.136 174 R CA 2.025 57.929 56.100 -0.326 0.000 0.959 174 R CB -0.379 29.659 30.300 -0.438 0.000 0.856 174 R HN 0.382 8.652 8.270 -0.000 0.000 0.437 175 D N -0.275 120.002 120.400 -0.205 0.000 2.317 175 D HA -0.018 4.621 4.640 -0.001 0.000 0.211 175 D C 0.032 176.246 176.300 -0.144 0.000 0.966 175 D CA 0.861 54.766 54.000 -0.158 0.000 0.876 175 D CB 0.097 40.849 40.800 -0.081 0.000 0.927 175 D HN 0.220 8.590 8.370 -0.000 0.000 0.519 176 N N 0.059 118.681 118.700 -0.131 0.000 2.687 176 N HA 0.103 4.843 4.740 -0.001 0.000 0.275 176 N C -2.210 173.261 175.510 -0.064 0.000 1.789 176 N CA -0.784 52.219 53.050 -0.079 0.000 0.806 176 N CB 2.165 40.650 38.487 -0.003 0.000 1.256 176 N HN -0.061 8.319 8.380 -0.000 0.000 0.500 177 P HA -0.067 4.353 4.420 -0.000 0.000 0.218 177 P C 1.353 178.684 177.300 0.052 0.000 1.148 177 P CA 1.144 64.167 63.100 -0.129 0.000 0.822 177 P CB 0.224 31.736 31.700 -0.313 0.000 0.784 178 G N -1.518 107.277 108.800 -0.008 0.000 3.383 178 G HA2 0.081 4.041 3.960 -0.001 0.000 0.251 178 G HA3 0.081 4.041 3.960 -0.001 0.000 0.251 178 G C 1.051 175.960 174.900 0.015 0.000 1.203 178 G CA 0.383 45.492 45.100 0.014 0.000 0.852 178 G HN 0.290 8.580 8.290 -0.000 0.000 0.531 179 S N -0.867 114.853 115.700 0.035 0.000 2.692 179 S HA 0.360 4.829 4.470 -0.001 0.000 0.269 179 S C 0.392 175.011 174.600 0.032 0.000 1.080 179 S CA -0.269 57.933 58.200 0.003 0.000 1.058 179 S CB 0.305 63.493 63.200 -0.021 0.000 0.982 179 S HN 0.101 8.411 8.310 -0.000 0.000 0.534 180 I N 2.605 123.264 120.570 0.148 0.000 2.530 180 I HA 0.453 4.622 4.170 -0.001 0.000 0.297 180 I C -0.085 176.200 176.117 0.280 0.000 1.011 180 I CA -0.747 60.688 61.300 0.224 0.000 1.107 180 I CB 2.322 40.532 38.000 0.350 0.000 1.285 180 I HN 0.229 8.439 8.210 -0.000 0.000 0.436 181 S N 4.513 120.303 115.700 0.151 0.000 2.646 181 S HA 0.343 4.812 4.470 -0.001 0.000 0.276 181 S C 0.531 175.053 174.600 -0.130 0.000 1.222 181 S CA -0.775 57.472 58.200 0.079 0.000 1.014 181 S CB 1.874 65.096 63.200 0.037 0.000 0.991 181 S HN 0.638 8.948 8.310 -0.000 0.000 0.533 182 L N 1.282 122.371 121.223 -0.224 0.000 2.109 182 L HA 0.054 4.393 4.340 -0.001 0.000 0.207 182 L C 1.781 178.503 176.870 -0.247 0.000 1.086 182 L CA 1.716 56.286 54.840 -0.451 0.000 0.760 182 L CB -1.038 40.889 42.059 -0.219 0.000 0.910 182 L HN 0.679 8.909 8.230 -0.000 0.000 0.437 183 N N -0.965 117.668 118.700 -0.112 0.000 2.084 183 N HA -0.262 4.477 4.740 -0.001 0.000 0.190 183 N C 1.775 177.264 175.510 -0.035 0.000 1.030 183 N CA 1.771 54.781 53.050 -0.066 0.000 0.849 183 N CB -0.700 37.780 38.487 -0.011 0.000 1.012 183 N HN 0.484 8.864 8.380 -0.000 0.000 0.423 184 Y N 1.247 121.473 120.300 -0.123 0.000 2.165 184 Y HA -0.119 4.430 4.550 -0.001 0.000 0.286 184 Y C 2.148 177.953 175.900 -0.159 0.000 1.155 184 Y CA 1.496 59.538 58.100 -0.097 0.000 1.164 184 Y CB -0.609 37.821 38.460 -0.050 0.000 0.978 184 Y HN 0.096 8.376 8.280 -0.000 0.000 0.513 185 A N -1.251 121.474 122.820 -0.160 0.000 2.016 185 A HA -0.059 4.261 4.320 -0.001 0.000 0.217 185 A C 1.843 179.294 177.584 -0.221 0.000 1.162 185 A CA 1.644 53.582 52.037 -0.164 0.000 0.662 185 A CB -1.014 17.966 19.000 -0.033 0.000 0.812 185 A HN 0.493 8.643 8.150 -0.000 0.000 0.450 186 T N -5.729 108.631 114.554 -0.323 0.000 3.214 186 T HA 0.403 4.752 4.350 -0.001 0.000 0.264 186 T C 0.200 174.702 174.700 -0.331 0.000 1.012 186 T CA -0.124 61.752 62.100 -0.374 0.000 0.901 186 T CB -0.815 67.806 68.868 -0.411 0.000 1.070 186 T HN 0.467 8.707 8.240 -0.000 0.000 0.561 187 F N 0.181 120.006 119.950 -0.209 0.000 2.988 187 F HA -0.165 4.362 4.527 -0.001 0.000 0.287 187 F C 0.358 176.079 175.800 -0.131 0.000 0.781 187 F CA 0.131 57.999 58.000 -0.220 0.000 1.221 187 F CB -2.284 36.518 39.000 -0.329 0.000 1.392 187 F HN 0.327 8.627 8.300 -0.000 0.000 0.425 188 Q N 1.405 121.193 119.800 -0.019 0.000 2.235 188 Q HA 0.465 4.804 4.340 -0.001 0.000 0.256 188 Q C -1.922 174.097 176.000 0.032 0.000 0.951 188 Q CA -1.808 53.993 55.803 -0.002 0.000 0.890 188 Q CB 1.282 29.995 28.738 -0.042 0.000 1.279 188 Q HN -0.001 8.269 8.270 -0.000 0.000 0.444 189 P HA 0.208 4.628 4.420 -0.000 0.000 0.272 189 P C 0.183 177.509 177.300 0.043 0.000 1.230 189 P CA 0.344 63.475 63.100 0.052 0.000 0.788 189 P CB 1.055 32.777 31.700 0.037 0.000 0.949 190 G N 0.340 109.172 108.800 0.052 0.000 3.134 190 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.195 190 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.195 190 G C -0.093 174.826 174.900 0.031 0.000 1.054 190 G CA -0.222 44.899 45.100 0.035 0.000 0.828 190 G HN 0.659 8.949 8.290 -0.000 0.000 0.462 191 T N 1.977 116.566 114.554 0.058 0.000 2.824 191 T HA 0.655 5.004 4.350 -0.001 0.000 0.280 191 T C -0.646 174.084 174.700 0.051 0.000 0.995 191 T CA 0.211 62.310 62.100 -0.002 0.000 1.009 191 T CB 1.939 70.731 68.868 -0.126 0.000 0.955 191 T HN 0.244 8.484 8.240 -0.000 0.000 0.452 192 T N 2.451 117.006 114.554 0.002 0.000 2.937 192 T HA 0.544 4.893 4.350 -0.001 0.000 0.297 192 T C -0.831 173.896 174.700 0.045 0.000 0.991 192 T CA -0.532 61.608 62.100 0.066 0.000 0.990 192 T CB 1.251 70.157 68.868 0.062 0.000 0.991 192 T HN 0.348 8.588 8.240 -0.000 0.000 0.440 193 V N 3.169 123.163 119.914 0.133 0.000 2.588 193 V HA 0.613 4.732 4.120 -0.001 0.000 0.304 193 V C -0.094 176.159 176.094 0.266 0.000 1.042 193 V CA -1.058 61.345 62.300 0.172 0.000 0.877 193 V CB 1.996 33.948 31.823 0.215 0.000 0.996 193 V HN 0.741 8.931 8.190 -0.000 0.000 0.425 194 R N 2.763 123.394 120.500 0.218 0.000 2.255 194 R HA 0.327 4.666 4.340 -0.001 0.000 0.326 194 R C -0.253 176.164 176.300 0.194 0.000 0.986 194 R CA -0.397 55.823 56.100 0.199 0.000 0.847 194 R CB 0.914 31.288 30.300 0.124 0.000 1.111 194 R HN 0.777 9.047 8.270 -0.000 0.000 0.452 195 D N 4.066 124.590 120.400 0.207 0.000 2.342 195 D HA -0.061 4.578 4.640 -0.001 0.000 0.260 195 D C 0.761 177.086 176.300 0.041 0.000 1.278 195 D CA 0.137 54.182 54.000 0.076 0.000 0.910 195 D CB 1.142 42.028 40.800 0.144 0.000 1.079 195 D HN 0.708 9.078 8.370 -0.000 0.000 0.496 196 Q N 3.619 123.422 119.800 0.004 0.000 2.181 196 Q HA -0.215 4.124 4.340 -0.001 0.000 0.205 196 Q C 0.542 176.541 176.000 -0.001 0.000 0.980 196 Q CA 1.057 56.868 55.803 0.013 0.000 0.862 196 Q CB -0.201 28.547 28.738 0.015 0.000 0.905 196 Q HN 0.369 8.639 8.270 -0.000 0.000 0.429 197 N N 1.812 120.497 118.700 -0.026 0.000 2.270 197 N HA -0.088 4.652 4.740 -0.001 0.000 0.181 197 N C 0.824 176.332 175.510 -0.003 0.000 1.016 197 N CA 1.555 54.592 53.050 -0.022 0.000 0.870 197 N CB -0.040 38.419 38.487 -0.046 0.000 0.979 197 N HN 0.663 9.043 8.380 -0.000 0.000 0.431 198 N N -2.317 116.391 118.700 0.013 0.000 2.118 198 N HA 0.174 4.913 4.740 -0.001 0.000 0.226 198 N C 0.927 176.458 175.510 0.035 0.000 1.305 198 N CA 0.566 53.630 53.050 0.023 0.000 0.890 198 N CB 0.310 38.815 38.487 0.030 0.000 1.118 198 N HN 0.068 8.448 8.380 -0.000 0.000 0.511 199 G N 0.535 109.362 108.800 0.045 0.000 2.179 199 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.260 199 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.260 199 G C -0.191 174.745 174.900 0.060 0.000 0.977 199 G CA 0.422 45.551 45.100 0.048 0.000 0.641 199 G HN 0.318 8.608 8.290 -0.000 0.000 0.533 200 L N 1.028 122.302 121.223 0.084 0.000 2.467 200 L HA 0.404 4.743 4.340 -0.001 0.000 0.270 200 L C 0.689 177.613 176.870 0.089 0.000 1.205 200 L CA 0.421 55.295 54.840 0.056 0.000 0.828 200 L CB 0.655 42.764 42.059 0.083 0.000 1.101 200 L HN 0.122 8.352 8.230 -0.000 0.000 0.479 201 T N 1.315 115.838 114.554 -0.051 0.000 2.779 201 T HA 0.487 4.836 4.350 -0.001 0.000 0.280 201 T C -0.849 173.777 174.700 -0.124 0.000 0.987 201 T CA -0.322 61.794 62.100 0.026 0.000 0.966 201 T CB 0.585 69.468 68.868 0.026 0.000 0.933 201 T HN 0.138 8.378 8.240 -0.000 0.000 0.442 202 Y N 1.159 121.572 120.300 0.188 0.000 2.420 202 Y HA 0.459 5.009 4.550 -0.001 0.000 0.334 202 Y C 1.672 177.765 175.900 0.321 0.000 1.094 202 Y CA -0.873 57.382 58.100 0.258 0.000 1.126 202 Y CB 1.793 40.447 38.460 0.322 0.000 1.217 202 Y HN 0.730 9.010 8.280 -0.000 0.000 0.462 203 T N -3.661 111.157 114.554 0.440 0.000 2.986 203 T HA 0.235 4.584 4.350 -0.001 0.000 0.264 203 T C 0.010 174.931 174.700 0.368 0.000 0.964 203 T CA 0.193 62.540 62.100 0.411 0.000 0.895 203 T CB -0.083 68.929 68.868 0.240 0.000 1.163 203 T HN 0.460 8.700 8.240 -0.000 0.000 0.517 204 S N 0.655 116.424 115.700 0.115 0.000 2.549 204 S HA 0.651 5.120 4.470 -0.001 0.000 0.280 204 S C 0.442 174.633 174.600 -0.681 0.000 1.109 204 S CA -0.896 57.078 58.200 -0.377 0.000 0.905 204 S CB 2.079 65.171 63.200 -0.180 0.000 1.081 204 S HN 0.031 8.341 8.310 -0.000 0.000 0.477 205 L N 1.765 122.334 121.223 -1.090 0.000 2.083 205 L HA 0.153 4.492 4.340 -0.001 0.000 0.209 205 L C 1.850 178.581 176.870 -0.232 0.000 1.083 205 L CA 1.692 56.115 54.840 -0.695 0.000 0.752 205 L CB -1.054 40.724 42.059 -0.468 0.000 0.899 205 L HN 0.862 9.092 8.230 -0.000 0.000 0.433 206 F N 0.642 120.416 119.950 -0.295 0.000 2.065 206 F HA -0.293 4.233 4.527 -0.001 0.000 0.298 206 F C 2.199 178.025 175.800 0.043 0.000 1.112 206 F CA 2.253 60.202 58.000 -0.086 0.000 1.212 206 F CB -0.446 38.547 39.000 -0.012 0.000 0.975 206 F HN 0.203 8.503 8.300 -0.000 0.000 0.476 207 D N 0.321 120.851 120.400 0.217 0.000 2.117 207 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 207 D C 2.352 178.815 176.300 0.272 0.000 0.987 207 D CA 1.497 55.673 54.000 0.295 0.000 0.829 207 D CB -0.721 40.367 40.800 0.480 0.000 0.961 207 D HN 0.397 8.767 8.370 -0.000 0.000 0.460 208 A N 0.323 123.257 122.820 0.190 0.000 1.972 208 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 208 A C 2.225 179.759 177.584 -0.083 0.000 1.169 208 A CA 1.154 53.129 52.037 -0.104 0.000 0.635 208 A CB -0.435 18.522 19.000 -0.071 0.000 0.810 208 A HN 0.166 8.316 8.150 -0.000 0.000 0.446 209 M N -1.096 118.419 119.600 -0.141 0.000 2.236 209 M HA -0.059 4.420 4.480 -0.001 0.000 0.266 209 M C 1.996 178.258 176.300 -0.063 0.000 1.070 209 M CA 0.935 56.098 55.300 -0.229 0.000 1.137 209 M CB -0.175 32.020 32.600 -0.675 0.000 1.378 209 M HN 0.224 8.514 8.290 -0.000 0.000 0.426 210 V N 0.289 120.072 119.914 -0.219 0.000 2.427 210 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 210 V C 1.464 177.429 176.094 -0.215 0.000 1.051 210 V CA 1.714 63.850 62.300 -0.273 0.000 1.048 210 V CB -0.619 30.984 31.823 -0.366 0.000 0.666 210 V HN 0.364 8.554 8.190 -0.000 0.000 0.456 211 D N 0.301 120.712 120.400 0.018 0.000 2.312 211 D HA -0.019 4.620 4.640 -0.001 0.000 0.211 211 D C 2.073 178.431 176.300 0.096 0.000 0.964 211 D CA 1.226 55.339 54.000 0.189 0.000 0.877 211 D CB -0.067 40.960 40.800 0.379 0.000 0.924 211 D HN 0.446 8.816 8.370 -0.000 0.000 0.515 212 A N 0.107 122.955 122.820 0.046 0.000 2.016 212 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 212 A C 2.286 179.830 177.584 -0.066 0.000 1.162 212 A CA 0.676 52.727 52.037 0.023 0.000 0.662 212 A CB -0.215 18.880 19.000 0.158 0.000 0.812 212 A HN 0.159 8.309 8.150 -0.000 0.000 0.450 213 V N -1.616 118.257 119.914 -0.068 0.000 2.591 213 V HA -0.184 3.935 4.120 -0.001 0.000 0.249 213 V C 2.270 178.294 176.094 -0.117 0.000 1.053 213 V CA 1.288 63.506 62.300 -0.137 0.000 1.068 213 V CB -1.198 30.554 31.823 -0.119 0.000 0.689 213 V HN 0.560 8.750 8.190 -0.000 0.000 0.462 214 Y N 1.337 121.620 120.300 -0.028 0.000 2.145 214 Y HA -0.098 4.451 4.550 -0.001 0.000 0.286 214 Y C 2.669 178.521 175.900 -0.079 0.000 1.145 214 Y CA 0.883 58.967 58.100 -0.027 0.000 1.148 214 Y CB -1.303 37.165 38.460 0.014 0.000 0.981 214 Y HN 0.184 8.464 8.280 -0.000 0.000 0.507 215 A N 0.058 122.922 122.820 0.072 0.000 1.908 215 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 215 A C 2.518 180.007 177.584 -0.157 0.000 1.181 215 A CA 2.222 54.237 52.037 -0.036 0.000 0.627 215 A CB -1.281 17.687 19.000 -0.053 0.000 0.818 215 A HN 0.401 8.551 8.150 -0.000 0.000 0.445 216 A N -0.370 122.258 122.820 -0.321 0.000 1.877 216 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 216 A C 2.193 179.419 177.584 -0.597 0.000 1.186 216 A CA 1.529 53.159 52.037 -0.679 0.000 0.620 216 A CB -0.650 17.568 19.000 -1.303 0.000 0.822 216 A HN 0.478 8.628 8.150 -0.000 0.000 0.443 217 L N -0.635 120.388 121.223 -0.333 0.000 2.042 217 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 217 L C 2.649 179.522 176.870 0.004 0.000 1.076 217 L CA 1.844 56.674 54.840 -0.018 0.000 0.749 217 L CB -0.590 41.537 42.059 0.114 0.000 0.893 217 L HN 0.519 8.749 8.230 -0.000 0.000 0.432 218 E N 0.020 120.207 120.200 -0.021 0.000 2.072 218 E HA -0.214 4.135 4.350 -0.001 0.000 0.191 218 E C 2.114 178.700 176.600 -0.024 0.000 0.985 218 E CA 0.973 57.367 56.400 -0.011 0.000 0.801 218 E CB -0.043 29.648 29.700 -0.015 0.000 0.750 218 E HN 0.421 8.781 8.360 -0.000 0.000 0.452 219 K N 0.573 120.935 120.400 -0.063 0.000 2.209 219 K HA -0.069 4.250 4.320 -0.001 0.000 0.204 219 K C 1.921 178.513 176.600 -0.013 0.000 1.048 219 K CA 0.995 57.250 56.287 -0.054 0.000 0.940 219 K CB -0.025 32.418 32.500 -0.096 0.000 0.729 219 K HN 0.051 8.301 8.250 -0.000 0.000 0.451 220 A N 0.533 123.362 122.820 0.016 0.000 2.238 220 A HA 0.187 4.506 4.320 -0.001 0.000 0.208 220 A C 1.229 178.847 177.584 0.058 0.000 1.177 220 A CA 0.718 52.806 52.037 0.084 0.000 0.804 220 A CB -0.199 18.931 19.000 0.217 0.000 0.823 220 A HN 0.381 8.531 8.150 -0.000 0.000 0.482 221 G N -2.112 106.710 108.800 0.036 0.000 2.171 221 G HA2 0.173 4.132 3.960 -0.001 0.000 0.238 221 G HA3 0.173 4.132 3.960 -0.001 0.000 0.238 221 G C 0.215 175.137 174.900 0.036 0.000 1.039 221 G CA 0.107 45.224 45.100 0.028 0.000 0.759 221 G HN 1.726 10.016 8.290 -0.000 0.000 0.501 222 A N -0.404 122.445 122.820 0.048 0.000 3.317 222 A HA 0.787 5.106 4.320 -0.001 0.000 0.307 222 A C -0.986 176.632 177.584 0.057 0.000 1.003 222 A CA -0.293 51.778 52.037 0.056 0.000 0.882 222 A CB 0.969 20.015 19.000 0.077 0.000 1.136 222 A HN 0.089 8.239 8.150 -0.000 0.000 0.488 223 P HA -0.085 4.335 4.420 -0.000 0.000 0.217 223 P C 1.422 178.729 177.300 0.011 0.000 1.151 223 P CA 1.744 64.855 63.100 0.018 0.000 0.828 223 P CB 0.371 32.072 31.700 0.002 0.000 0.788 224 A N -0.980 121.851 122.820 0.019 0.000 2.251 224 A HA 0.127 4.446 4.320 -0.001 0.000 0.209 224 A C 0.690 178.300 177.584 0.043 0.000 1.187 224 A CA 0.050 52.097 52.037 0.016 0.000 0.823 224 A CB -0.792 18.217 19.000 0.016 0.000 0.846 224 A HN -0.010 8.140 8.150 -0.000 0.000 0.486 225 V N 2.146 122.102 119.914 0.069 0.000 2.521 225 V HA 0.046 4.165 4.120 -0.001 0.000 0.286 225 V C 0.402 176.584 176.094 0.148 0.000 1.034 225 V CA -0.023 62.336 62.300 0.098 0.000 1.045 225 V CB 0.506 32.392 31.823 0.104 0.000 0.974 225 V HN 0.417 8.607 8.190 -0.000 0.000 0.480 226 K N 3.559 124.042 120.400 0.138 0.000 2.154 226 K HA 0.594 4.914 4.320 -0.001 0.000 0.264 226 K C -0.753 175.953 176.600 0.178 0.000 1.008 226 K CA -0.604 55.795 56.287 0.187 0.000 0.937 226 K CB 1.633 34.217 32.500 0.141 0.000 1.002 226 K HN 0.408 8.658 8.250 -0.000 0.000 0.469 227 V N 2.232 122.276 119.914 0.216 0.000 2.513 227 V HA 0.276 4.395 4.120 -0.001 0.000 0.299 227 V C -0.443 175.697 176.094 0.077 0.000 1.035 227 V CA -0.873 61.474 62.300 0.080 0.000 0.889 227 V CB 1.872 33.636 31.823 -0.097 0.000 0.988 227 V HN 0.436 8.626 8.190 -0.000 0.000 0.440 228 V N 5.001 124.931 119.914 0.027 0.000 2.448 228 V HA 0.368 4.487 4.120 -0.001 0.000 0.295 228 V C -0.139 176.014 176.094 0.098 0.000 1.025 228 V CA -0.714 61.628 62.300 0.070 0.000 0.859 228 V CB 2.006 33.792 31.823 -0.061 0.000 0.988 228 V HN 0.590 8.780 8.190 -0.000 0.000 0.431 229 V N 4.863 124.892 119.914 0.191 0.000 2.356 229 V HA 0.105 4.224 4.120 -0.001 0.000 0.258 229 V C 1.353 177.613 176.094 0.276 0.000 1.065 229 V CA 0.493 62.916 62.300 0.205 0.000 0.935 229 V CB 0.992 32.992 31.823 0.295 0.000 1.061 229 V HN 1.102 9.292 8.190 -0.000 0.000 0.484 230 S N 2.839 118.640 115.700 0.169 0.000 2.603 230 S HA 0.220 4.690 4.470 -0.001 0.000 0.220 230 S C 0.375 175.104 174.600 0.215 0.000 0.967 230 S CA -0.099 58.174 58.200 0.123 0.000 0.920 230 S CB 0.039 63.216 63.200 -0.038 0.000 0.773 230 S HN 0.792 9.102 8.310 -0.000 0.000 0.529 231 E N -0.159 120.170 120.200 0.214 0.000 2.451 231 E HA 0.508 4.857 4.350 -0.001 0.000 0.295 231 E C -1.875 174.668 176.600 -0.096 0.000 0.966 231 E CA -0.289 56.226 56.400 0.191 0.000 0.808 231 E CB 2.106 31.922 29.700 0.192 0.000 1.242 231 E HN 0.106 8.466 8.360 -0.000 0.000 0.412 232 S N 1.240 116.889 115.700 -0.085 0.000 2.570 232 S HA 0.770 5.240 4.470 -0.001 0.000 0.286 232 S C -1.042 173.647 174.600 0.149 0.000 1.143 232 S CA 0.086 58.134 58.200 -0.253 0.000 0.921 232 S CB 1.363 64.687 63.200 0.208 0.000 1.108 232 S HN 0.735 9.045 8.310 -0.000 0.000 0.456 233 G N 2.513 111.429 108.800 0.192 0.000 2.554 233 G HA2 0.654 4.613 3.960 -0.001 0.000 0.306 233 G HA3 0.654 4.613 3.960 -0.001 0.000 0.306 233 G C -2.402 172.730 174.900 0.386 0.000 1.320 233 G CA -0.415 44.995 45.100 0.518 0.000 0.800 233 G HN 0.622 8.912 8.290 -0.000 0.000 0.481 234 W N 1.530 122.912 121.300 0.137 0.000 3.405 234 W HA 0.459 5.118 4.660 -0.001 0.000 0.329 234 W C -2.728 173.473 176.519 -0.530 0.000 1.142 234 W CA -1.753 55.391 57.345 -0.336 0.000 1.235 234 W CB 2.296 31.555 29.460 -0.334 0.000 1.341 234 W HN 0.451 8.631 8.180 -0.000 0.000 0.481 235 P HA 0.031 4.451 4.420 -0.000 0.000 0.271 235 P C 0.564 177.695 177.300 -0.281 0.000 1.216 235 P CA 0.379 62.955 63.100 -0.872 0.000 0.771 235 P CB 1.277 32.272 31.700 -1.175 0.000 0.864 236 S N 1.682 117.288 115.700 -0.156 0.000 2.575 236 S HA 0.445 4.915 4.470 -0.001 0.000 0.215 236 S C 0.612 175.188 174.600 -0.041 0.000 0.966 236 S CA 0.239 58.406 58.200 -0.055 0.000 0.911 236 S CB -0.219 63.021 63.200 0.066 0.000 0.780 236 S HN 0.768 9.078 8.310 -0.000 0.000 0.514 237 A N -1.053 121.725 122.820 -0.070 0.000 2.511 237 A HA 0.672 4.991 4.320 -0.001 0.000 0.293 237 A C 0.638 178.201 177.584 -0.035 0.000 1.098 237 A CA -0.204 51.815 52.037 -0.030 0.000 0.643 237 A CB -0.254 18.749 19.000 0.005 0.000 1.302 237 A HN 1.398 9.548 8.150 -0.000 0.000 0.446 238 G N -1.750 107.052 108.800 0.004 0.000 2.157 238 G HA2 0.443 4.402 3.960 -0.001 0.000 0.248 238 G HA3 0.443 4.402 3.960 -0.001 0.000 0.248 238 G C 1.382 176.310 174.900 0.046 0.000 0.979 238 G CA 1.179 46.293 45.100 0.024 0.000 0.650 238 G HN 2.820 11.110 8.290 -0.000 0.000 0.529 239 G N -1.559 107.275 108.800 0.056 0.000 2.428 239 G HA2 0.566 4.526 3.960 -0.001 0.000 0.304 239 G HA3 0.566 4.526 3.960 -0.001 0.000 0.304 239 G C -0.627 174.369 174.900 0.160 0.000 1.303 239 G CA -0.109 45.063 45.100 0.120 0.000 0.825 239 G HN 1.344 9.634 8.290 -0.000 0.000 0.484 240 F N 1.879 121.875 119.950 0.076 0.000 2.590 240 F HA 0.360 4.886 4.527 -0.001 0.000 0.389 240 F C 1.304 177.210 175.800 0.176 0.000 1.049 240 F CA 1.242 59.285 58.000 0.071 0.000 1.199 240 F CB 0.557 39.546 39.000 -0.019 0.000 1.058 240 F HN 1.999 10.299 8.300 -0.000 0.000 0.556 241 A N 3.550 126.068 122.820 -0.503 0.000 2.945 241 A HA -0.124 4.195 4.320 -0.001 0.000 0.263 241 A C 0.556 178.239 177.584 0.165 0.000 1.293 241 A CA 0.906 52.803 52.037 -0.234 0.000 0.944 241 A CB -2.439 16.390 19.000 -0.285 0.000 1.093 241 A HN 1.998 10.148 8.150 -0.000 0.000 0.786 242 A N 0.435 123.295 122.820 0.067 0.000 2.279 242 A HA 0.706 5.025 4.320 -0.001 0.000 0.306 242 A C 0.523 178.123 177.584 0.026 0.000 1.300 242 A CA 0.708 52.766 52.037 0.036 0.000 0.925 242 A CB 0.107 19.046 19.000 -0.101 0.000 1.152 242 A HN 2.015 10.165 8.150 -0.000 0.000 0.544 243 S N 0.799 116.515 115.700 0.028 0.000 2.625 243 S HA 0.690 5.159 4.470 -0.001 0.000 0.271 243 S C 0.754 175.287 174.600 -0.113 0.000 1.161 243 S CA -0.118 58.060 58.200 -0.037 0.000 0.820 243 S CB 1.292 64.468 63.200 -0.040 0.000 1.137 243 S HN 1.489 9.799 8.310 -0.000 0.000 0.470 244 A N 0.946 123.698 122.820 -0.114 0.000 1.933 244 A HA 0.230 4.549 4.320 -0.001 0.000 0.218 244 A C 2.001 179.397 177.584 -0.314 0.000 1.175 244 A CA 1.893 53.818 52.037 -0.187 0.000 0.628 244 A CB -1.606 17.366 19.000 -0.047 0.000 0.814 244 A HN 1.274 9.424 8.150 -0.000 0.000 0.444 245 G N -0.140 108.532 108.800 -0.213 0.000 2.404 245 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.215 245 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.215 245 G C 1.453 176.166 174.900 -0.312 0.000 1.174 245 G CA 0.959 45.925 45.100 -0.223 0.000 0.780 245 G HN 0.499 8.789 8.290 -0.000 0.000 0.537 246 N N 1.375 119.881 118.700 -0.323 0.000 2.058 246 N HA -0.091 4.648 4.740 -0.001 0.000 0.191 246 N C 2.559 177.617 175.510 -0.754 0.000 1.037 246 N CA 1.423 54.161 53.050 -0.520 0.000 0.848 246 N CB -0.687 37.583 38.487 -0.362 0.000 1.021 246 N HN 0.273 8.653 8.380 -0.000 0.000 0.422 247 A N 1.426 123.886 122.820 -0.601 0.000 1.917 247 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 247 A C 2.282 179.476 177.584 -0.649 0.000 1.182 247 A CA 1.436 53.138 52.037 -0.558 0.000 0.633 247 A CB -0.526 18.113 19.000 -0.601 0.000 0.819 247 A HN 0.244 8.394 8.150 -0.000 0.000 0.448 248 R N -0.869 119.174 120.500 -0.762 0.000 2.066 248 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 248 R C 2.225 178.363 176.300 -0.269 0.000 1.131 248 R CA 2.043 57.872 56.100 -0.452 0.000 0.955 248 R CB -0.714 29.408 30.300 -0.298 0.000 0.851 248 R HN 0.529 8.799 8.270 -0.000 0.000 0.432 249 T N 0.314 114.685 114.554 -0.304 0.000 2.635 249 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 249 T C 1.486 176.057 174.700 -0.215 0.000 1.040 249 T CA 1.845 63.793 62.100 -0.254 0.000 1.156 249 T CB -0.588 68.101 68.868 -0.298 0.000 0.863 249 T HN 0.391 8.631 8.240 -0.000 0.000 0.430 250 Y N 2.520 122.593 120.300 -0.378 0.000 2.114 250 Y HA -0.157 4.393 4.550 -0.001 0.000 0.284 250 Y C 2.380 178.283 175.900 0.005 0.000 1.143 250 Y CA 1.437 59.427 58.100 -0.183 0.000 1.135 250 Y CB -0.393 37.867 38.460 -0.333 0.000 0.980 250 Y HN 0.093 8.373 8.280 -0.000 0.000 0.499 251 N N 0.105 118.837 118.700 0.053 0.000 2.142 251 N HA -0.181 4.558 4.740 -0.001 0.000 0.186 251 N C 1.800 177.218 175.510 -0.153 0.000 1.023 251 N CA 1.460 54.530 53.050 0.034 0.000 0.852 251 N CB -0.532 38.082 38.487 0.211 0.000 0.998 251 N HN 0.415 8.795 8.380 -0.000 0.000 0.424 252 Q N 0.619 120.314 119.800 -0.175 0.000 2.119 252 Q HA 0.047 4.387 4.340 -0.001 0.000 0.201 252 Q C 1.916 177.731 176.000 -0.309 0.000 0.972 252 Q CA 1.633 57.299 55.803 -0.227 0.000 0.847 252 Q CB -0.809 27.814 28.738 -0.192 0.000 0.903 252 Q HN 0.357 8.627 8.270 -0.000 0.000 0.433 253 G N 0.556 109.147 108.800 -0.348 0.000 2.418 253 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 253 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 253 G C 1.322 175.523 174.900 -1.165 0.000 1.158 253 G CA 0.898 45.670 45.100 -0.547 0.000 0.771 253 G HN 0.406 8.696 8.290 -0.000 0.000 0.545 254 L N 0.932 121.479 121.223 -1.126 0.000 1.994 254 L HA 0.032 4.372 4.340 -0.001 0.000 0.208 254 L C 2.743 179.237 176.870 -0.627 0.000 1.071 254 L CA 1.436 55.597 54.840 -1.131 0.000 0.745 254 L CB -0.513 41.143 42.059 -0.671 0.000 0.892 254 L HN 0.276 8.506 8.230 -0.000 0.000 0.431 255 I N 0.043 120.377 120.570 -0.393 0.000 2.194 255 I HA -0.341 3.828 4.170 -0.001 0.000 0.246 255 I C 1.828 177.806 176.117 -0.231 0.000 1.093 255 I CA 1.471 62.631 61.300 -0.233 0.000 1.355 255 I CB -0.605 37.291 38.000 -0.173 0.000 1.046 255 I HN 0.394 8.604 8.210 -0.000 0.000 0.413 256 N N -0.497 118.034 118.700 -0.281 0.000 2.459 256 N HA -0.168 4.571 4.740 -0.001 0.000 0.181 256 N C 1.693 177.079 175.510 -0.206 0.000 1.046 256 N CA 1.009 53.928 53.050 -0.218 0.000 0.904 256 N CB -0.357 38.004 38.487 -0.210 0.000 0.964 256 N HN 0.531 8.911 8.380 -0.000 0.000 0.444 257 H N 0.267 119.068 119.070 -0.447 0.000 2.388 257 H HA 0.055 4.610 4.556 -0.001 0.000 0.304 257 H C 1.890 177.082 175.328 -0.226 0.000 1.049 257 H CA 1.157 56.962 56.048 -0.405 0.000 1.371 257 H CB -0.023 29.265 29.762 -0.791 0.000 1.436 257 H HN -0.053 8.227 8.280 -0.000 0.000 0.544 258 V N -0.813 119.033 119.914 -0.113 0.000 2.636 258 V HA -0.164 3.955 4.120 -0.001 0.000 0.258 258 V C 2.243 178.311 176.094 -0.042 0.000 1.092 258 V CA 1.916 64.207 62.300 -0.016 0.000 1.110 258 V CB -1.436 30.392 31.823 0.008 0.000 0.685 258 V HN 0.519 8.709 8.190 -0.000 0.000 0.481 259 G N 0.320 109.067 108.800 -0.089 0.000 2.484 259 G HA2 0.070 4.029 3.960 -0.001 0.000 0.218 259 G HA3 0.070 4.029 3.960 -0.001 0.000 0.218 259 G C 1.367 176.223 174.900 -0.072 0.000 1.130 259 G CA 0.541 45.604 45.100 -0.062 0.000 0.784 259 G HN 0.792 9.082 8.290 -0.000 0.000 0.543 260 G N -0.446 108.271 108.800 -0.138 0.000 2.985 260 G HA2 0.432 4.391 3.960 -0.001 0.000 0.209 260 G HA3 0.432 4.391 3.960 -0.001 0.000 0.209 260 G C 1.047 175.891 174.900 -0.094 0.000 1.165 260 G CA 0.547 45.568 45.100 -0.132 0.000 0.776 260 G HN 1.143 9.433 8.290 -0.000 0.000 0.541 261 G N -0.429 108.340 108.800 -0.051 0.000 2.598 261 G HA2 0.132 4.091 3.960 -0.001 0.000 0.244 261 G HA3 0.132 4.091 3.960 -0.001 0.000 0.244 261 G C 0.138 175.082 174.900 0.073 0.000 1.302 261 G CA 0.502 45.630 45.100 0.046 0.000 0.903 261 G HN 1.445 9.735 8.290 -0.000 0.000 0.575 262 T N -2.960 111.676 114.554 0.136 0.000 2.887 262 T HA 0.732 5.081 4.350 -0.001 0.000 0.292 262 T C -1.956 172.794 174.700 0.082 0.000 1.087 262 T CA -0.756 61.445 62.100 0.169 0.000 1.009 262 T CB 2.449 71.488 68.868 0.286 0.000 1.203 262 T HN 0.343 8.583 8.240 -0.000 0.000 0.518 263 P HA -0.018 4.402 4.420 -0.000 0.000 0.222 263 P C 1.136 178.431 177.300 -0.009 0.000 1.142 263 P CA 0.966 64.013 63.100 -0.088 0.000 0.788 263 P CB 0.145 31.624 31.700 -0.367 0.000 0.767 264 K N -1.272 119.176 120.400 0.081 0.000 2.242 264 K HA 0.068 4.387 4.320 -0.001 0.000 0.200 264 K C 0.843 177.395 176.600 -0.079 0.000 1.050 264 K CA 0.601 56.908 56.287 0.033 0.000 0.981 264 K CB 0.356 32.920 32.500 0.107 0.000 0.795 264 K HN 0.014 8.264 8.250 -0.000 0.000 0.477 265 K N 1.377 121.749 120.400 -0.046 0.000 2.690 265 K HA 0.172 4.491 4.320 -0.001 0.000 0.243 265 K C -0.930 175.676 176.600 0.011 0.000 0.982 265 K CA -0.369 55.868 56.287 -0.084 0.000 0.955 265 K CB 1.019 33.385 32.500 -0.223 0.000 1.185 265 K HN -0.187 8.063 8.250 -0.000 0.000 0.467 266 R N 3.477 123.973 120.500 -0.006 0.000 3.268 266 R HA 0.158 4.497 4.340 -0.001 0.000 0.217 266 R C -0.681 175.623 176.300 0.006 0.000 1.568 266 R CA 0.207 56.308 56.100 0.001 0.000 1.322 266 R CB 0.007 30.299 30.300 -0.014 0.000 1.280 266 R HN 0.624 8.894 8.270 -0.000 0.000 0.667 267 E N 0.104 120.321 120.200 0.027 0.000 2.383 267 E HA 0.414 4.764 4.350 -0.001 0.000 0.275 267 E C -1.003 175.627 176.600 0.051 0.000 0.918 267 E CA -1.034 55.386 56.400 0.033 0.000 0.764 267 E CB 2.033 31.758 29.700 0.042 0.000 1.252 267 E HN 0.324 8.684 8.360 -0.000 0.000 0.449 268 A N 1.955 124.800 122.820 0.041 0.000 2.545 268 A HA 0.127 4.446 4.320 -0.001 0.000 0.253 268 A C -0.296 177.341 177.584 0.088 0.000 1.074 268 A CA 0.034 52.099 52.037 0.046 0.000 0.760 268 A CB -0.256 18.762 19.000 0.031 0.000 1.005 268 A HN 0.427 8.577 8.150 -0.000 0.000 0.506 269 L N 2.550 123.843 121.223 0.117 0.000 2.281 269 L HA 0.299 4.639 4.340 -0.001 0.000 0.285 269 L C 0.545 177.510 176.870 0.159 0.000 1.074 269 L CA -0.100 54.843 54.840 0.171 0.000 0.817 269 L CB 0.917 43.120 42.059 0.241 0.000 1.168 269 L HN 0.781 9.011 8.230 -0.000 0.000 0.434 270 E N 3.159 123.460 120.200 0.169 0.000 2.415 270 E HA 0.174 4.523 4.350 -0.001 0.000 0.260 270 E C -1.043 175.675 176.600 0.198 0.000 1.016 270 E CA 0.217 56.717 56.400 0.168 0.000 0.924 270 E CB 0.391 30.240 29.700 0.250 0.000 0.961 270 E HN 0.734 9.094 8.360 -0.000 0.000 0.459 271 T N 4.102 118.704 114.554 0.081 0.000 2.912 271 T HA 0.357 4.707 4.350 -0.001 0.000 0.299 271 T C -1.443 173.215 174.700 -0.070 0.000 1.052 271 T CA -0.580 61.603 62.100 0.139 0.000 0.996 271 T CB 0.552 69.517 68.868 0.161 0.000 1.070 271 T HN 0.261 8.501 8.240 -0.000 0.000 0.465 272 Y N 1.389 121.797 120.300 0.179 0.000 2.331 272 Y HA 0.535 5.084 4.550 -0.001 0.000 0.334 272 Y C 0.240 176.272 175.900 0.221 0.000 0.960 272 Y CA -1.229 56.986 58.100 0.192 0.000 1.130 272 Y CB 0.903 39.483 38.460 0.200 0.000 1.164 272 Y HN 0.510 8.790 8.280 -0.000 0.000 0.458 273 I N 4.419 125.175 120.570 0.309 0.000 2.396 273 I HA 0.045 4.214 4.170 -0.001 0.000 0.289 273 I C -0.484 175.853 176.117 0.366 0.000 1.056 273 I CA -0.131 61.357 61.300 0.313 0.000 1.365 273 I CB 0.387 38.540 38.000 0.255 0.000 1.407 273 I HN 0.470 8.680 8.210 -0.000 0.000 0.509 274 F N 7.141 127.266 119.950 0.292 0.000 2.391 274 F HA 0.653 5.179 4.527 -0.001 0.000 0.359 274 F C 0.225 176.243 175.800 0.362 0.000 1.122 274 F CA -0.229 57.955 58.000 0.306 0.000 1.120 274 F CB 0.597 39.756 39.000 0.265 0.000 1.142 274 F HN 0.511 8.811 8.300 -0.000 0.000 0.483 275 A N 5.486 128.192 122.820 -0.190 0.000 2.524 275 A HA 0.546 4.865 4.320 -0.001 0.000 0.286 275 A C 0.360 177.886 177.584 -0.097 0.000 1.203 275 A CA -0.742 51.028 52.037 -0.445 0.000 0.736 275 A CB 1.258 19.617 19.000 -1.068 0.000 1.322 275 A HN 0.784 8.934 8.150 -0.000 0.000 0.424 276 M N -0.328 119.231 119.600 -0.069 0.000 2.099 276 M HA 0.235 4.715 4.480 -0.001 0.000 0.262 276 M C -0.587 175.485 176.300 -0.379 0.000 1.067 276 M CA 1.824 56.977 55.300 -0.246 0.000 1.124 276 M CB -0.570 31.815 32.600 -0.358 0.000 1.353 276 M HN 0.535 8.825 8.290 -0.000 0.000 0.410 277 F N -0.791 119.261 119.950 0.170 0.000 2.631 277 F HA 0.413 4.940 4.527 -0.001 0.000 0.328 277 F C 0.095 175.980 175.800 0.141 0.000 1.067 277 F CA -1.552 56.550 58.000 0.171 0.000 0.969 277 F CB 0.494 39.599 39.000 0.174 0.000 1.332 277 F HN -0.226 8.074 8.300 -0.000 0.000 0.490 278 N N 1.250 120.167 118.700 0.362 0.000 2.497 278 N HA 0.136 4.875 4.740 -0.001 0.000 0.271 278 N C -0.964 174.693 175.510 0.244 0.000 1.142 278 N CA -0.083 53.124 53.050 0.262 0.000 0.965 278 N CB 0.695 39.306 38.487 0.206 0.000 1.077 278 N HN 0.612 8.992 8.380 -0.000 0.000 0.462 279 E N 1.266 121.600 120.200 0.223 0.000 2.070 279 E HA 0.054 4.403 4.350 -0.001 0.000 0.261 279 E C 0.622 177.308 176.600 0.143 0.000 0.926 279 E CA -0.537 55.971 56.400 0.179 0.000 0.760 279 E CB 0.346 30.156 29.700 0.184 0.000 1.133 279 E HN 0.473 8.833 8.360 -0.000 0.000 0.420 280 N N 2.608 121.376 118.700 0.113 0.000 2.519 280 N HA -0.209 4.530 4.740 -0.001 0.000 0.186 280 N C 0.796 176.350 175.510 0.074 0.000 1.062 280 N CA 0.978 54.082 53.050 0.090 0.000 0.910 280 N CB 0.218 38.747 38.487 0.071 0.000 0.958 280 N HN 0.316 8.696 8.380 -0.000 0.000 0.445 281 Q N -0.111 119.732 119.800 0.071 0.000 2.280 281 Q HA 0.162 4.501 4.340 -0.001 0.000 0.201 281 Q C -0.326 175.707 176.000 0.055 0.000 0.890 281 Q CA 0.082 55.917 55.803 0.053 0.000 0.947 281 Q CB 0.444 29.205 28.738 0.039 0.000 1.081 281 Q HN 0.374 8.644 8.270 -0.000 0.000 0.502 282 K N 2.390 122.837 120.400 0.078 0.000 2.339 282 K HA 0.105 4.424 4.320 -0.001 0.000 0.286 282 K C 0.571 177.209 176.600 0.063 0.000 1.050 282 K CA 0.083 56.416 56.287 0.078 0.000 0.956 282 K CB 0.710 33.285 32.500 0.124 0.000 0.990 282 K HN 0.150 8.400 8.250 -0.000 0.000 0.475 283 T N -0.549 114.029 114.554 0.039 0.000 2.874 283 T HA 0.627 4.976 4.350 -0.001 0.000 0.281 283 T C 0.797 175.513 174.700 0.027 0.000 0.994 283 T CA 0.220 62.336 62.100 0.027 0.000 1.015 283 T CB 1.551 70.425 68.868 0.010 0.000 1.028 283 T HN 0.794 9.034 8.240 -0.000 0.000 0.523 284 G N 1.274 110.087 108.800 0.021 0.000 2.408 284 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.204 284 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.204 284 G C -0.726 174.192 174.900 0.030 0.000 1.186 284 G CA -0.199 44.910 45.100 0.015 0.000 1.139 284 G HN 1.008 9.298 8.290 -0.000 0.000 0.563 285 D N 1.305 121.727 120.400 0.038 0.000 2.382 285 D HA 0.430 5.069 4.640 -0.001 0.000 0.240 285 D C 1.723 178.072 176.300 0.081 0.000 1.146 285 D CA 0.638 54.672 54.000 0.056 0.000 0.897 285 D CB 1.373 42.213 40.800 0.068 0.000 1.197 285 D HN 0.856 9.226 8.370 -0.000 0.000 0.432 286 A N 2.362 125.225 122.820 0.071 0.000 2.121 286 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 286 A C 1.986 179.617 177.584 0.080 0.000 1.154 286 A CA 1.767 53.847 52.037 0.071 0.000 0.679 286 A CB -0.538 18.494 19.000 0.053 0.000 0.795 286 A HN 0.732 8.882 8.150 -0.000 0.000 0.458 287 T N -1.982 112.624 114.554 0.086 0.000 2.867 287 T HA -0.126 4.223 4.350 -0.001 0.000 0.268 287 T C 1.463 176.255 174.700 0.155 0.000 1.057 287 T CA 1.234 63.347 62.100 0.022 0.000 1.136 287 T CB -0.262 68.617 68.868 0.019 0.000 0.874 287 T HN 0.417 8.657 8.240 -0.000 0.000 0.466 288 E N 1.711 122.110 120.200 0.332 0.000 2.160 288 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 288 E C 2.097 178.943 176.600 0.410 0.000 0.991 288 E CA 0.863 57.542 56.400 0.466 0.000 0.810 288 E CB -0.219 29.633 29.700 0.252 0.000 0.742 288 E HN 0.607 8.967 8.360 -0.000 0.000 0.466 289 R N 0.425 121.074 120.500 0.249 0.000 2.334 289 R HA 0.078 4.417 4.340 -0.001 0.000 0.220 289 R C 0.729 177.139 176.300 0.183 0.000 0.917 289 R CA 0.393 56.614 56.100 0.201 0.000 1.073 289 R CB 0.332 30.712 30.300 0.133 0.000 1.056 289 R HN -0.007 8.263 8.270 -0.000 0.000 0.506 290 S N -1.244 114.557 115.700 0.168 0.000 2.665 290 S HA 0.226 4.695 4.470 -0.001 0.000 0.235 290 S C -0.043 174.580 174.600 0.038 0.000 1.084 290 S CA -0.691 57.565 58.200 0.095 0.000 1.151 290 S CB -0.288 62.927 63.200 0.025 0.000 1.151 290 S HN 0.080 8.390 8.310 -0.000 0.000 0.461 291 F N 2.141 122.195 119.950 0.173 0.000 2.664 291 F HA 0.440 4.966 4.527 -0.001 0.000 0.303 291 F C 1.579 177.475 175.800 0.159 0.000 1.092 291 F CA -0.409 57.711 58.000 0.200 0.000 1.305 291 F CB 0.300 39.490 39.000 0.317 0.000 1.054 291 F HN 0.560 8.860 8.300 -0.000 0.000 0.565 292 G N 0.226 109.193 108.800 0.280 0.000 2.432 292 G HA2 0.304 4.264 3.960 -0.001 0.000 0.257 292 G HA3 0.304 4.264 3.960 -0.001 0.000 0.257 292 G C 0.862 175.803 174.900 0.068 0.000 1.238 292 G CA -0.406 44.802 45.100 0.180 0.000 0.838 292 G HN 0.254 8.544 8.290 -0.000 0.000 0.547 293 L N 0.684 121.882 121.223 -0.042 0.000 2.179 293 L HA 0.197 4.536 4.340 -0.001 0.000 0.208 293 L C 0.289 176.769 176.870 -0.650 0.000 1.096 293 L CA 0.653 55.264 54.840 -0.382 0.000 0.779 293 L CB -0.139 41.829 42.059 -0.151 0.000 0.922 293 L HN 0.351 8.581 8.230 -0.000 0.000 0.443 294 F N -1.081 118.739 119.950 -0.216 0.000 2.538 294 F HA 0.333 4.859 4.527 -0.002 0.000 0.325 294 F C 0.443 176.319 175.800 0.126 0.000 1.066 294 F CA -1.089 56.850 58.000 -0.102 0.000 0.946 294 F CB 0.877 39.768 39.000 -0.181 0.000 1.199 294 F HN -0.177 8.123 8.300 -0.000 0.000 0.473 295 N N 2.316 121.214 118.700 0.330 0.000 2.483 295 N HA 0.207 4.947 4.740 -0.001 0.000 0.269 295 N C -1.895 173.831 175.510 0.359 0.000 1.209 295 N CA -1.476 51.737 53.050 0.273 0.000 0.969 295 N CB 0.994 39.581 38.487 0.166 0.000 1.173 295 N HN 0.207 8.587 8.380 -0.000 0.000 0.475 296 P HA -0.134 4.286 4.420 -0.000 0.000 0.218 296 P C 0.294 177.595 177.300 0.002 0.000 1.146 296 P CA 1.240 64.357 63.100 0.028 0.000 0.813 296 P CB 0.116 31.817 31.700 0.002 0.000 0.778 297 D N -1.203 119.247 120.400 0.083 0.000 2.325 297 D HA -0.010 4.629 4.640 -0.001 0.000 0.234 297 D C 0.488 176.856 176.300 0.113 0.000 1.122 297 D CA -0.114 53.926 54.000 0.067 0.000 0.850 297 D CB -0.575 40.261 40.800 0.060 0.000 0.921 297 D HN 0.074 8.444 8.370 -0.000 0.000 0.513 298 K N -1.065 119.460 120.400 0.209 0.000 3.587 298 K HA -0.169 4.150 4.320 -0.001 0.000 0.294 298 K C 0.004 176.792 176.600 0.314 0.000 1.279 298 K CA 1.125 57.558 56.287 0.243 0.000 1.004 298 K CB -2.021 30.540 32.500 0.102 0.000 1.276 298 K HN 0.452 8.702 8.250 -0.000 0.000 0.459 299 S N 1.231 117.088 115.700 0.262 0.000 2.565 299 S HA 0.433 4.902 4.470 -0.001 0.000 0.274 299 S C -2.501 172.230 174.600 0.218 0.000 1.309 299 S CA -1.369 56.962 58.200 0.218 0.000 1.043 299 S CB 1.140 64.410 63.200 0.118 0.000 0.939 299 S HN -0.137 8.173 8.310 -0.000 0.000 0.504 300 P HA 0.163 4.583 4.420 -0.000 0.000 0.264 300 P C 0.331 177.467 177.300 -0.273 0.000 1.193 300 P CA -0.058 62.849 63.100 -0.321 0.000 0.763 300 P CB 0.383 31.906 31.700 -0.294 0.000 0.810 301 A N 3.580 126.129 122.820 -0.453 0.000 2.067 301 A HA 0.066 4.385 4.320 -0.001 0.000 0.217 301 A C 0.191 177.679 177.584 -0.160 0.000 1.156 301 A CA 1.364 53.240 52.037 -0.268 0.000 0.683 301 A CB -0.853 17.983 19.000 -0.273 0.000 0.808 301 A HN 0.682 8.832 8.150 -0.000 0.000 0.455 302 Y N -4.485 115.717 120.300 -0.163 0.000 2.702 302 Y HA 0.535 5.084 4.550 -0.002 0.000 0.336 302 Y C -0.910 174.870 175.900 -0.201 0.000 1.203 302 Y CA -2.161 55.851 58.100 -0.147 0.000 1.072 302 Y CB -0.030 38.353 38.460 -0.128 0.000 1.327 302 Y HN -0.070 8.210 8.280 -0.000 0.000 0.456 303 N N 1.341 120.039 118.700 -0.003 0.000 2.470 303 N HA 0.466 5.205 4.740 -0.001 0.000 0.268 303 N C -1.337 174.088 175.510 -0.142 0.000 1.136 303 N CA 0.051 53.037 53.050 -0.107 0.000 0.961 303 N CB 0.351 38.791 38.487 -0.078 0.000 1.067 303 N HN 0.645 9.025 8.380 -0.000 0.000 0.468 304 I N 2.521 122.914 120.570 -0.296 0.000 2.607 304 I HA 0.179 4.348 4.170 -0.001 0.000 0.290 304 I C -0.832 174.942 176.117 -0.571 0.000 1.129 304 I CA -0.620 60.406 61.300 -0.456 0.000 1.042 304 I CB 1.977 39.573 38.000 -0.674 0.000 1.242 304 I HN 0.526 8.736 8.210 -0.000 0.000 0.421 305 Q N 5.129 124.644 119.800 -0.476 0.000 2.347 305 Q HA 0.564 4.903 4.340 -0.001 0.000 0.262 305 Q C -0.858 174.904 176.000 -0.397 0.000 0.980 305 Q CA -0.293 55.309 55.803 -0.333 0.000 0.867 305 Q CB 1.603 30.235 28.738 -0.176 0.000 1.242 305 Q HN 0.286 8.556 8.270 -0.000 0.000 0.453 306 F N 0.000 119.917 119.950 -0.056 0.000 2.286 306 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 306 F CA 0.000 57.965 58.000 -0.059 0.000 1.383 306 F CB 0.000 38.969 39.000 -0.052 0.000 1.145 306 F HN 0.000 8.300 8.300 -0.000 0.000 0.574