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 3n9r_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLVKGNEILL KAHKEGYGVG AFNFVNFEML NAIFEAGNEE NSPLFIQASE DATA SEQUENCE GAIKYMGIDM AVGMVKIMCE RYPHIPVALH LDHGTTFESC EKAVKAGFTS DATA SEQUENCE VMIDASHHAF EENLELTSKV VKMAHNAGVS VEAELGRLMG IXXXXXXXXX DATA SEQUENCE XAVLVNPKEA EQFVKESQVD YLAPAIGTSH GAFKFKGEPK LDFERLQEVK DATA SEQUENCE RLTNIPLVLH GASAIPDNVR KSYLDAGGDL KGSKGVPFEF LQESVKGGIN DATA SEQUENCE KVNTDTDLRI AFIAEVRKVA NEDKSQFDLR KFFSPAQLAL KNVVKERMKL DATA SEQUENCE LGSANKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.510 4.480 0.050 0.000 0.227 1 M C 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.618 32.600 0.031 0.000 1.302 2 L N 2.700 123.932 121.223 0.014 0.000 2.361 2 L HA 0.516 5.051 4.340 -0.023 -0.209 0.278 2 L C -0.720 176.140 176.870 -0.016 0.000 1.113 2 L CA 0.156 54.990 54.840 -0.010 0.000 0.849 2 L CB -0.040 42.012 42.059 -0.012 0.000 1.155 2 L HN 0.023 8.264 8.230 0.019 0.000 0.452 3 V N 2.011 121.904 119.914 -0.036 0.000 3.130 3 V HA 0.615 4.733 4.120 -0.004 0.000 0.310 3 V C -1.879 174.200 176.094 -0.026 0.000 1.158 3 V CA -2.795 59.494 62.300 -0.018 0.000 1.029 3 V CB 4.233 36.052 31.823 -0.006 0.000 1.057 3 V HN 0.674 8.826 8.190 -0.063 0.000 0.436 4 K N -1.186 119.222 120.400 0.013 0.000 2.355 4 K HA -0.064 4.405 4.320 0.045 -0.122 0.270 4 K C 1.350 177.991 176.600 0.069 0.000 1.003 4 K CA 0.328 56.644 56.287 0.047 0.000 0.957 4 K CB -0.003 32.536 32.500 0.066 0.000 0.939 4 K HN 0.078 8.341 8.250 0.021 0.000 0.482 5 G N 2.277 111.165 108.800 0.147 0.000 2.440 5 G HA2 -0.390 3.554 3.960 -0.027 0.000 0.218 5 G HA3 -0.390 3.898 3.960 0.547 0.000 0.218 5 G C 0.647 175.773 174.900 0.377 0.000 1.154 5 G CA 2.015 47.281 45.100 0.277 0.000 0.767 5 G HN 0.344 8.743 8.290 0.183 0.000 0.552 6 N N 0.752 119.684 118.700 0.387 0.000 2.381 6 N HA -0.242 4.737 4.740 0.398 0.000 0.182 6 N C 1.860 177.467 175.510 0.163 0.000 1.025 6 N CA 2.632 55.877 53.050 0.325 0.000 0.888 6 N CB 0.171 38.815 38.487 0.262 0.000 0.965 6 N HN -0.397 8.179 8.380 0.350 0.014 0.438 7 E N -0.366 119.908 120.200 0.124 0.000 2.077 7 E HA -0.299 4.095 4.350 0.074 0.000 0.193 7 E C 2.314 178.965 176.600 0.085 0.000 0.989 7 E CA 2.825 59.275 56.400 0.083 0.000 0.800 7 E CB -0.104 29.631 29.700 0.059 0.000 0.746 7 E HN -0.567 7.846 8.360 0.125 0.022 0.452 8 I N -0.699 119.937 120.570 0.110 0.000 2.333 8 I HA -0.393 3.842 4.170 0.107 0.000 0.246 8 I C 1.566 177.723 176.117 0.067 0.000 1.106 8 I CA 3.606 64.980 61.300 0.124 0.000 1.411 8 I CB 0.313 38.433 38.000 0.200 0.000 1.082 8 I HN -0.787 7.498 8.210 0.126 0.000 0.420 9 L N -1.550 119.696 121.223 0.039 0.000 2.217 9 L HA -0.245 3.989 4.340 -0.176 0.000 0.211 9 L C 2.333 179.163 176.870 -0.067 0.000 1.107 9 L CA 2.430 57.196 54.840 -0.124 0.000 0.783 9 L CB -0.536 41.311 42.059 -0.353 0.000 0.919 9 L HN -0.469 7.819 8.230 0.098 0.000 0.442 10 L N -1.586 119.645 121.223 0.013 0.000 2.156 10 L HA -0.367 4.013 4.340 0.067 0.000 0.208 10 L C 1.843 178.738 176.870 0.042 0.000 1.095 10 L CA 3.025 57.896 54.840 0.053 0.000 0.770 10 L CB -0.557 41.541 42.059 0.065 0.000 0.914 10 L HN 0.134 8.389 8.230 0.041 0.000 0.439 11 K N -0.327 120.075 120.400 0.004 0.000 2.026 11 K HA -0.410 3.920 4.320 0.017 0.000 0.208 11 K C 1.820 178.292 176.600 -0.214 0.000 1.048 11 K CA 3.423 59.702 56.287 -0.014 0.000 0.929 11 K CB -0.198 32.345 32.500 0.071 0.000 0.713 11 K HN -0.792 7.469 8.250 0.018 0.000 0.439 12 A N -2.499 120.047 122.820 -0.456 0.000 1.933 12 A HA -0.262 2.775 4.320 -2.139 0.000 0.218 12 A C 2.153 179.422 177.584 -0.525 0.000 1.175 12 A CA 2.966 54.361 52.037 -1.070 0.000 0.628 12 A CB -0.939 17.547 19.000 -0.855 0.000 0.814 12 A HN -0.498 7.465 8.150 -0.310 0.000 0.444 13 H N -0.028 118.852 119.070 -0.317 0.000 2.353 13 H HA -0.269 4.183 4.556 -0.174 0.000 0.300 13 H C 1.777 177.029 175.328 -0.126 0.000 1.090 13 H CA 3.298 59.239 56.048 -0.178 0.000 1.327 13 H CB -0.004 29.696 29.762 -0.105 0.000 1.383 13 H HN -0.189 8.042 8.280 -0.080 0.000 0.508 14 K N -2.000 118.287 120.400 -0.189 0.000 2.103 14 K HA -0.160 4.000 4.320 -0.266 0.000 0.204 14 K C 1.729 178.242 176.600 -0.144 0.000 1.052 14 K CA 2.233 58.413 56.287 -0.178 0.000 0.945 14 K CB 0.312 32.791 32.500 -0.035 0.000 0.722 14 K HN -0.452 7.753 8.250 -0.074 0.000 0.443 15 E N -4.428 115.705 120.200 -0.112 0.000 2.472 15 E HA 0.077 4.434 4.350 0.012 0.000 0.196 15 E C -0.061 176.547 176.600 0.014 0.000 1.033 15 E CA -0.405 56.001 56.400 0.010 0.000 0.886 15 E CB 0.779 30.602 29.700 0.205 0.000 0.944 15 E HN -0.603 7.656 8.360 -0.168 0.000 0.492 16 G N 0.025 108.758 108.800 -0.111 0.000 2.289 16 G HA2 -0.309 3.582 3.960 -0.114 0.000 0.280 16 G HA3 -0.309 3.627 3.960 -0.040 0.000 0.280 16 G C -1.078 173.844 174.900 0.037 0.000 1.089 16 G CA 0.577 45.636 45.100 -0.068 0.000 0.939 16 G HN -0.162 8.007 8.290 -0.202 0.000 0.499 17 Y N -4.775 115.505 120.300 -0.034 0.000 2.633 17 Y HA 0.449 4.980 4.550 -0.031 0.000 0.339 17 Y C -1.892 173.985 175.900 -0.039 0.000 1.045 17 Y CA -3.007 55.074 58.100 -0.032 0.000 1.098 17 Y CB 1.548 39.991 38.460 -0.028 0.000 1.296 17 Y HN -0.753 7.301 8.280 -0.377 0.000 0.494 18 G N -1.971 106.932 108.800 0.172 0.000 2.420 18 G HA2 0.473 4.525 3.960 -0.064 0.000 0.331 18 G HA3 0.473 4.440 3.960 0.012 0.000 0.331 18 G C -2.774 172.193 174.900 0.112 0.000 1.168 18 G CA -1.676 43.448 45.100 0.039 0.000 0.936 18 G HN 0.122 8.546 8.290 0.224 0.000 0.479 19 V N 1.457 121.356 119.914 -0.024 0.000 2.384 19 V HA 0.206 4.378 4.120 0.086 0.000 0.287 19 V C -0.317 175.670 176.094 -0.178 0.000 1.020 19 V CA -1.552 60.741 62.300 -0.012 0.000 0.850 19 V CB 2.449 34.269 31.823 -0.005 0.000 0.987 19 V HN 0.213 8.214 8.190 -0.129 0.111 0.436 20 G N 5.815 114.511 108.800 -0.173 0.000 2.380 20 G HA2 -0.003 3.767 3.960 -0.575 0.000 0.242 20 G HA3 -0.003 3.492 3.960 -0.775 0.000 0.242 20 G C -2.017 172.384 174.900 -0.832 0.000 1.298 20 G CA -0.222 44.506 45.100 -0.620 0.000 0.878 20 G HN 0.471 8.747 8.290 -0.024 0.000 0.542 21 A N 4.571 126.857 122.820 -0.889 0.000 2.293 21 A HA 0.695 5.056 4.320 -0.228 -0.178 0.312 21 A C -2.194 175.091 177.584 -0.499 0.000 1.309 21 A CA -1.797 49.950 52.037 -0.483 0.000 0.839 21 A CB 2.006 20.781 19.000 -0.376 0.000 1.155 21 A HN 0.079 7.723 8.150 -0.844 0.000 0.501 22 F N 3.095 123.084 119.950 0.066 0.000 2.427 22 F HA 0.647 5.405 4.527 0.044 -0.205 0.346 22 F C -0.129 175.749 175.800 0.131 0.000 1.120 22 F CA -2.017 56.019 58.000 0.061 0.000 1.033 22 F CB 2.292 41.304 39.000 0.019 0.000 1.126 22 F HN 0.296 8.668 8.300 0.120 0.000 0.462 23 N N 3.282 122.146 118.700 0.274 0.000 2.530 23 N HA 0.463 5.597 4.740 0.283 -0.224 0.273 23 N C -0.493 175.190 175.510 0.287 0.000 1.173 23 N CA 0.832 54.027 53.050 0.241 0.000 0.967 23 N CB 1.587 40.142 38.487 0.112 0.000 1.109 23 N HN -0.220 8.298 8.380 0.230 0.000 0.453 24 F N -1.629 118.357 119.950 0.060 0.000 2.588 24 F HA 0.492 4.996 4.527 -0.038 0.000 0.314 24 F C -1.715 174.082 175.800 -0.004 0.000 1.069 24 F CA -2.041 55.963 58.000 0.008 0.000 0.931 24 F CB 3.321 42.341 39.000 0.033 0.000 1.260 24 F HN -0.231 8.255 8.300 0.310 0.000 0.465 25 V N -6.335 113.484 119.914 -0.159 0.000 3.398 25 V HA 0.186 4.074 4.120 -0.387 0.000 0.298 25 V C -2.007 174.096 176.094 0.015 0.000 1.496 25 V CA -0.328 61.823 62.300 -0.247 0.000 1.044 25 V CB 1.558 33.168 31.823 -0.355 0.000 0.880 25 V HN -0.389 7.775 8.190 -0.043 0.000 0.443 26 N N -4.484 114.315 118.700 0.166 0.000 3.308 26 N HA -0.026 4.897 4.740 0.306 0.000 0.276 26 N C -1.186 174.496 175.510 0.287 0.000 1.533 26 N CA -1.166 52.033 53.050 0.248 0.000 0.878 26 N CB 1.002 39.587 38.487 0.164 0.000 1.566 26 N HN -1.176 7.336 8.380 0.220 0.000 0.546 27 F N 0.299 120.333 119.950 0.140 0.000 2.134 27 F HA -0.191 4.402 4.527 0.111 0.000 0.299 27 F C 1.007 176.864 175.800 0.096 0.000 1.097 27 F CA 3.923 61.988 58.000 0.109 0.000 1.264 27 F CB 0.362 39.414 39.000 0.087 0.000 1.001 27 F HN 0.354 8.888 8.300 0.391 0.000 0.479 28 E N -1.091 119.036 120.200 -0.122 0.000 2.085 28 E HA -0.366 3.763 4.350 -0.367 0.000 0.194 28 E C 2.602 179.105 176.600 -0.162 0.000 0.994 28 E CA 3.990 60.288 56.400 -0.170 0.000 0.801 28 E CB -0.653 29.136 29.700 0.148 0.000 0.743 28 E HN 0.201 8.690 8.360 0.088 -0.077 0.453 29 M N -1.155 118.357 119.600 -0.148 0.000 2.086 29 M HA -0.363 4.065 4.480 -0.086 0.000 0.261 29 M C 2.280 178.540 176.300 -0.067 0.000 1.067 29 M CA 4.108 59.350 55.300 -0.098 0.000 1.116 29 M CB 0.059 32.614 32.600 -0.076 0.000 1.348 29 M HN -0.631 7.817 8.290 -0.156 -0.251 0.407 30 L N -0.985 120.187 121.223 -0.085 0.000 2.046 30 L HA -0.411 3.854 4.340 -0.125 0.000 0.208 30 L C 1.601 178.405 176.870 -0.109 0.000 1.077 30 L CA 3.433 58.185 54.840 -0.146 0.000 0.747 30 L CB -0.334 41.561 42.059 -0.273 0.000 0.896 30 L HN -0.551 7.648 8.230 -0.052 0.000 0.432 31 N N -0.914 117.579 118.700 -0.346 0.000 2.084 31 N HA -0.394 4.250 4.740 -0.160 0.000 0.190 31 N C 1.691 177.139 175.510 -0.102 0.000 1.030 31 N CA 3.098 55.974 53.050 -0.290 0.000 0.849 31 N CB -0.162 37.926 38.487 -0.665 0.000 1.012 31 N HN -0.106 7.938 8.380 -0.560 0.000 0.423 32 A N -0.597 122.153 122.820 -0.117 0.000 1.940 32 A HA -0.270 4.019 4.320 -0.052 0.000 0.219 32 A C 2.232 179.749 177.584 -0.112 0.000 1.176 32 A CA 2.923 54.918 52.037 -0.069 0.000 0.631 32 A CB -0.462 18.527 19.000 -0.019 0.000 0.814 32 A HN -0.623 7.435 8.150 -0.153 0.000 0.446 33 I N -1.648 118.846 120.570 -0.126 0.000 2.202 33 I HA -0.552 3.411 4.170 -0.345 0.000 0.242 33 I C 1.767 177.729 176.117 -0.258 0.000 1.091 33 I CA 4.292 65.449 61.300 -0.238 0.000 1.368 33 I CB -0.060 37.820 38.000 -0.200 0.000 1.058 33 I HN -0.598 7.556 8.210 -0.093 0.000 0.410 34 F N -0.414 119.377 119.950 -0.264 0.000 2.186 34 F HA -0.464 3.861 4.527 -0.338 0.000 0.299 34 F C 2.195 177.696 175.800 -0.498 0.000 1.090 34 F CA 4.751 62.537 58.000 -0.357 0.000 1.307 34 F CB -0.197 38.634 39.000 -0.283 0.000 1.019 34 F HN -0.481 7.928 8.300 0.181 0.000 0.489 35 E N -1.317 118.780 120.200 -0.170 0.000 2.106 35 E HA -0.479 3.699 4.350 -0.287 0.000 0.192 35 E C 1.922 178.413 176.600 -0.181 0.000 0.984 35 E CA 2.951 59.240 56.400 -0.185 0.000 0.806 35 E CB -0.279 29.396 29.700 -0.042 0.000 0.750 35 E HN -0.125 8.190 8.360 -0.076 0.000 0.458 36 A N -0.496 122.210 122.820 -0.190 0.000 1.877 36 A HA -0.234 3.999 4.320 -0.146 0.000 0.216 36 A C 1.855 179.321 177.584 -0.198 0.000 1.186 36 A CA 3.005 54.928 52.037 -0.190 0.000 0.620 36 A CB -0.703 18.147 19.000 -0.249 0.000 0.822 36 A HN -0.410 7.624 8.150 -0.194 0.000 0.443 37 G N -2.250 106.394 108.800 -0.260 0.000 2.422 37 G HA2 -0.428 3.420 3.960 -0.186 0.000 0.218 37 G HA3 -0.428 3.350 3.960 -0.303 0.000 0.218 37 G C 1.352 176.134 174.900 -0.197 0.000 1.146 37 G CA 1.797 46.752 45.100 -0.241 0.000 0.769 37 G HN -0.239 7.867 8.290 -0.307 0.000 0.547 38 N N 1.466 120.014 118.700 -0.252 0.000 2.188 38 N HA -0.200 4.525 4.740 -0.025 0.000 0.184 38 N C 2.399 177.900 175.510 -0.015 0.000 1.018 38 N CA 2.413 55.392 53.050 -0.119 0.000 0.858 38 N CB 0.275 38.617 38.487 -0.242 0.000 0.989 38 N HN -0.174 8.001 8.380 -0.342 0.000 0.426 39 E N -2.558 117.606 120.200 -0.060 0.000 2.285 39 E HA -0.092 4.256 4.350 -0.003 0.000 0.194 39 E C 0.733 177.312 176.600 -0.035 0.000 0.997 39 E CA 1.975 58.356 56.400 -0.030 0.000 0.845 39 E CB 0.440 30.117 29.700 -0.039 0.000 0.782 39 E HN -0.499 7.709 8.360 -0.102 0.091 0.491 40 E N -4.282 115.884 120.200 -0.056 0.000 2.501 40 E HA 0.160 4.481 4.350 -0.048 0.000 0.201 40 E C -0.931 175.640 176.600 -0.048 0.000 1.016 40 E CA -1.536 54.831 56.400 -0.056 0.000 0.920 40 E CB 0.583 30.240 29.700 -0.072 0.000 1.023 40 E HN -0.382 7.933 8.360 -0.075 0.000 0.474 41 N N -2.871 115.814 118.700 -0.026 0.000 2.714 41 N HA -0.419 4.344 4.740 0.038 0.000 0.253 41 N C -2.125 173.362 175.510 -0.039 0.000 1.024 41 N CA 1.411 54.459 53.050 -0.003 0.000 0.726 41 N CB -1.836 36.651 38.487 0.000 0.000 0.908 41 N HN -0.218 8.151 8.380 -0.018 0.000 0.542 42 S N -0.817 114.846 115.700 -0.061 0.000 2.500 42 S HA 0.722 5.292 4.470 -0.070 -0.143 0.301 42 S C -2.320 172.243 174.600 -0.062 0.000 1.092 42 S CA -3.500 54.661 58.200 -0.065 0.000 1.030 42 S CB 2.589 65.755 63.200 -0.057 0.000 1.031 42 S HN -0.590 7.676 8.310 -0.074 0.000 0.483 43 P HA 0.089 4.595 4.420 -0.049 -0.115 0.272 43 P C -1.799 175.504 177.300 0.006 0.000 1.240 43 P CA -0.331 62.766 63.100 -0.005 0.000 0.791 43 P CB 1.200 32.945 31.700 0.075 0.000 0.978 44 L N -2.987 118.218 121.223 -0.030 0.000 2.431 44 L HA 0.243 4.639 4.340 0.093 0.000 0.266 44 L C -1.302 175.600 176.870 0.054 0.000 0.978 44 L CA -0.896 53.938 54.840 -0.011 0.000 0.822 44 L CB 4.498 46.398 42.059 -0.263 0.000 1.310 44 L HN -0.305 7.889 8.230 -0.061 0.000 0.409 45 F N 2.915 122.822 119.950 -0.073 0.000 2.415 45 F HA 0.379 5.013 4.527 -0.053 -0.139 0.348 45 F C -0.961 174.836 175.800 -0.005 0.000 1.119 45 F CA -0.850 57.106 58.000 -0.072 0.000 1.069 45 F CB 2.219 41.124 39.000 -0.159 0.000 1.124 45 F HN -0.322 8.154 8.300 0.293 0.000 0.472 46 I N 4.370 124.988 120.570 0.080 0.000 2.336 46 I HA 0.395 4.834 4.170 0.209 -0.143 0.292 46 I C -1.371 174.931 176.117 0.308 0.000 0.991 46 I CA -2.798 58.596 61.300 0.156 0.000 1.227 46 I CB 0.383 38.385 38.000 0.003 0.000 1.366 46 I HN 0.612 8.793 8.210 -0.049 0.000 0.466 47 Q N 5.703 125.753 119.800 0.417 0.000 2.342 47 Q HA 0.852 5.695 4.340 0.494 -0.207 0.267 47 Q C -1.711 174.530 176.000 0.401 0.000 1.038 47 Q CA -1.993 54.072 55.803 0.438 0.000 0.832 47 Q CB 4.235 33.185 28.738 0.352 0.000 1.323 47 Q HN 0.305 8.829 8.270 0.424 0.000 0.448 48 A N 2.783 125.816 122.820 0.355 0.000 2.343 48 A HA 0.695 4.993 4.320 -0.037 0.000 0.308 48 A C -1.206 176.453 177.584 0.124 0.000 1.092 48 A CA -1.508 50.609 52.037 0.135 0.000 0.751 48 A CB 2.788 21.887 19.000 0.164 0.000 1.203 48 A HN 0.398 8.817 8.150 0.448 0.000 0.452 49 S N 4.451 120.176 115.700 0.042 0.000 2.634 49 S HA 0.269 4.979 4.470 0.075 -0.195 0.261 49 S C 1.170 175.769 174.600 -0.001 0.000 1.271 49 S CA -1.320 56.903 58.200 0.039 0.000 0.985 49 S CB 1.620 64.831 63.200 0.019 0.000 0.968 49 S HN 0.283 8.591 8.310 -0.002 0.000 0.568 50 E N 0.798 120.994 120.200 -0.005 0.000 2.110 50 E HA -0.374 3.949 4.350 -0.044 0.000 0.193 50 E C 2.632 179.222 176.600 -0.016 0.000 0.988 50 E CA 3.240 59.625 56.400 -0.025 0.000 0.804 50 E CB -0.264 29.423 29.700 -0.022 0.000 0.745 50 E HN 0.766 9.134 8.360 0.013 0.000 0.458 51 G N -1.088 107.701 108.800 -0.019 0.000 2.402 51 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.216 51 G HA3 -0.175 3.767 3.960 -0.030 0.000 0.216 51 G C 0.815 175.711 174.900 -0.007 0.000 1.162 51 G CA 1.300 46.391 45.100 -0.016 0.000 0.777 51 G HN 0.029 8.306 8.290 -0.022 0.000 0.539 52 A N 1.817 124.610 122.820 -0.046 0.000 1.933 52 A HA -0.304 3.971 4.320 -0.076 0.000 0.218 52 A C 1.703 179.284 177.584 -0.004 0.000 1.175 52 A CA 2.732 54.725 52.037 -0.073 0.000 0.628 52 A CB -0.372 18.518 19.000 -0.182 0.000 0.814 52 A HN -0.453 7.664 8.150 -0.055 0.000 0.444 53 I N -1.665 118.904 120.570 -0.001 0.000 2.315 53 I HA -0.550 3.647 4.170 0.045 0.000 0.248 53 I C 1.581 177.723 176.117 0.042 0.000 1.117 53 I CA 3.900 65.219 61.300 0.032 0.000 1.404 53 I CB -0.237 37.775 38.000 0.020 0.000 1.071 53 I HN -0.279 7.925 8.210 -0.011 0.000 0.419 54 K N 0.076 120.500 120.400 0.039 0.000 2.097 54 K HA -0.362 3.972 4.320 0.024 0.000 0.206 54 K C 1.710 178.352 176.600 0.069 0.000 1.049 54 K CA 3.031 59.343 56.287 0.042 0.000 0.933 54 K CB -0.276 32.246 32.500 0.036 0.000 0.717 54 K HN -0.527 7.741 8.250 0.030 0.000 0.442 55 Y N -1.836 118.443 120.300 -0.035 0.000 2.163 55 Y HA -0.276 4.260 4.550 -0.023 0.000 0.288 55 Y C 1.225 177.113 175.900 -0.021 0.000 1.136 55 Y CA 2.644 60.724 58.100 -0.032 0.000 1.147 55 Y CB 0.608 39.037 38.460 -0.052 0.000 0.987 55 Y HN -0.576 7.744 8.280 0.206 0.084 0.509 56 M N -3.905 115.735 119.600 0.065 0.000 2.334 56 M HA -0.042 4.395 4.480 -0.072 0.000 0.266 56 M C 0.262 176.557 176.300 -0.008 0.000 1.082 56 M CA 1.755 57.059 55.300 0.007 0.000 1.141 56 M CB 1.399 34.050 32.600 0.085 0.000 1.380 56 M HN -0.520 7.857 8.290 0.144 0.000 0.440 57 G N -1.687 107.122 108.800 0.015 0.000 3.019 57 G HA2 -0.209 3.775 3.960 0.020 0.000 0.686 57 G HA3 -0.209 3.843 3.960 0.015 -0.083 0.686 57 G C -1.040 173.901 174.900 0.069 0.000 1.056 57 G CA -0.647 44.469 45.100 0.026 0.000 0.774 57 G HN -0.352 7.952 8.290 0.023 0.000 0.583 58 I N 2.272 122.889 120.570 0.079 0.000 2.361 58 I HA -0.412 3.873 4.170 0.191 0.000 0.251 58 I C 0.287 176.497 176.117 0.155 0.000 1.133 58 I CA 2.539 63.926 61.300 0.145 0.000 1.413 58 I CB -0.084 37.987 38.000 0.119 0.000 1.073 58 I HN 0.400 8.644 8.210 0.057 0.000 0.424 59 D N -2.065 118.393 120.400 0.097 0.000 2.149 59 D HA -0.306 4.385 4.640 0.084 0.000 0.198 59 D C 1.956 178.304 176.300 0.081 0.000 0.990 59 D CA 3.038 57.086 54.000 0.079 0.000 0.839 59 D CB -1.227 39.602 40.800 0.049 0.000 0.948 59 D HN 0.350 8.757 8.370 0.075 0.008 0.460 60 M N 0.262 119.913 119.600 0.085 0.000 2.287 60 M HA -0.117 4.409 4.480 0.077 0.000 0.266 60 M C 1.306 177.698 176.300 0.154 0.000 1.079 60 M CA 1.770 57.126 55.300 0.095 0.000 1.146 60 M CB -0.266 32.380 32.600 0.077 0.000 1.374 60 M HN -0.658 7.582 8.290 0.080 0.097 0.435 61 A N 0.579 123.511 122.820 0.187 0.000 1.865 61 A HA -0.244 4.334 4.320 0.430 0.000 0.217 61 A C 2.058 179.777 177.584 0.226 0.000 1.191 61 A CA 3.084 55.301 52.037 0.300 0.000 0.623 61 A CB -0.803 18.354 19.000 0.263 0.000 0.826 61 A HN -0.357 7.891 8.150 0.162 0.000 0.444 62 V N -2.680 117.301 119.914 0.112 0.000 2.343 62 V HA -0.559 3.499 4.120 -0.102 0.000 0.247 62 V C 1.983 178.084 176.094 0.012 0.000 1.051 62 V CA 3.958 66.255 62.300 -0.005 0.000 1.036 62 V CB -0.344 31.486 31.823 0.011 0.000 0.654 62 V HN -0.388 7.889 8.190 0.145 0.000 0.451 63 G N -1.316 107.510 108.800 0.044 0.000 2.440 63 G HA2 -0.370 3.596 3.960 0.010 0.000 0.218 63 G HA3 -0.370 3.609 3.960 0.032 0.000 0.218 63 G C 1.151 176.058 174.900 0.012 0.000 1.154 63 G CA 2.149 47.263 45.100 0.024 0.000 0.767 63 G HN -0.447 7.882 8.290 0.065 0.000 0.552 64 M N 1.454 121.081 119.600 0.046 0.000 2.132 64 M HA -0.391 4.103 4.480 0.023 0.000 0.263 64 M C 2.126 178.385 176.300 -0.070 0.000 1.065 64 M CA 4.078 59.396 55.300 0.031 0.000 1.122 64 M CB 0.136 32.813 32.600 0.128 0.000 1.365 64 M HN -0.292 8.050 8.290 0.086 0.000 0.411 65 V N 0.178 120.043 119.914 -0.080 0.000 2.358 65 V HA -0.592 3.401 4.120 -0.211 0.000 0.246 65 V C 1.661 177.688 176.094 -0.112 0.000 1.047 65 V CA 4.534 66.753 62.300 -0.135 0.000 1.035 65 V CB -0.571 31.189 31.823 -0.106 0.000 0.658 65 V HN -0.572 7.603 8.190 -0.026 0.000 0.452 66 K N -0.191 120.166 120.400 -0.072 0.000 2.097 66 K HA -0.329 3.964 4.320 -0.044 0.000 0.206 66 K C 2.626 179.179 176.600 -0.079 0.000 1.049 66 K CA 3.494 59.748 56.287 -0.056 0.000 0.933 66 K CB -0.244 32.236 32.500 -0.035 0.000 0.717 66 K HN -0.496 7.720 8.250 -0.057 0.000 0.442 67 I N 0.161 120.675 120.570 -0.092 0.000 2.226 67 I HA -0.424 3.696 4.170 -0.084 0.000 0.245 67 I C 2.135 178.147 176.117 -0.175 0.000 1.100 67 I CA 3.722 64.960 61.300 -0.104 0.000 1.374 67 I CB 0.033 37.987 38.000 -0.076 0.000 1.057 67 I HN -0.501 7.662 8.210 -0.080 0.000 0.413 68 M N -0.963 118.454 119.600 -0.306 0.000 2.175 68 M HA -0.360 3.870 4.480 -0.415 0.000 0.264 68 M C 2.286 178.331 176.300 -0.426 0.000 1.063 68 M CA 1.928 56.879 55.300 -0.583 0.000 1.119 68 M CB -1.413 30.381 32.600 -1.343 0.000 1.377 68 M HN -0.493 7.615 8.290 -0.304 0.000 0.415 69 C N -0.444 118.731 119.300 -0.209 0.000 2.440 69 C HA -0.367 4.218 4.460 0.207 0.000 0.278 69 C C 1.767 176.767 174.990 0.017 0.000 1.295 69 C CA 4.540 63.585 59.018 0.046 0.000 1.738 69 C CB -0.968 26.811 27.740 0.065 0.000 1.987 69 C HN 0.044 8.151 8.230 -0.205 0.000 0.492 70 E N -1.353 118.821 120.200 -0.044 0.000 2.204 70 E HA -0.305 4.036 4.350 -0.015 0.000 0.194 70 E C 1.746 178.299 176.600 -0.078 0.000 0.989 70 E CA 2.415 58.789 56.400 -0.042 0.000 0.824 70 E CB -0.376 29.294 29.700 -0.050 0.000 0.756 70 E HN -0.619 7.699 8.360 -0.070 0.000 0.477 71 R N -1.671 118.737 120.500 -0.153 0.000 2.115 71 R HA -0.148 4.030 4.340 -0.271 0.000 0.226 71 R C 0.434 176.483 176.300 -0.418 0.000 1.100 71 R CA 2.173 58.080 56.100 -0.322 0.000 0.980 71 R CB 0.987 31.022 30.300 -0.441 0.000 0.875 71 R HN -0.734 7.326 8.270 -0.159 0.115 0.445 72 Y N -3.439 116.873 120.300 0.019 0.000 2.562 72 Y HA 0.458 5.094 4.550 0.143 0.000 0.363 72 Y C -1.853 174.040 175.900 -0.010 0.000 0.991 72 Y CA -3.147 54.985 58.100 0.053 0.000 1.121 72 Y CB -0.059 38.440 38.460 0.064 0.000 1.159 72 Y HN -0.511 7.714 8.280 0.067 0.095 0.651 73 P HA 0.059 4.657 4.420 0.090 -0.124 0.229 73 P C -0.501 176.870 177.300 0.118 0.000 1.160 73 P CA 0.861 64.033 63.100 0.119 0.000 0.777 73 P CB 0.414 32.177 31.700 0.105 0.000 0.814 74 H N -6.361 112.775 119.070 0.110 0.000 2.548 74 H HA 0.016 4.610 4.556 0.063 0.000 0.268 74 H C -0.334 175.039 175.328 0.075 0.000 0.975 74 H CA -0.455 55.642 56.048 0.081 0.000 1.195 74 H CB -0.293 29.514 29.762 0.074 0.000 1.397 74 H HN -0.099 8.353 8.280 0.347 0.036 0.572 75 I N 3.676 124.031 120.570 -0.358 0.000 2.312 75 I HA 0.200 4.253 4.170 -0.195 0.000 0.291 75 I C -2.483 173.582 176.117 -0.088 0.000 1.031 75 I CA -2.437 58.719 61.300 -0.239 0.000 1.293 75 I CB -0.238 37.586 38.000 -0.293 0.000 1.403 75 I HN -0.791 7.138 8.210 -0.398 0.042 0.484 76 P HA 0.024 4.575 4.420 -0.017 -0.142 0.271 76 P C -1.474 175.781 177.300 -0.074 0.000 1.220 76 P CA -0.386 62.696 63.100 -0.031 0.000 0.768 76 P CB 0.489 32.191 31.700 0.004 0.000 0.848 77 V N 4.005 123.868 119.914 -0.084 0.000 2.686 77 V HA 0.642 4.860 4.120 -0.188 -0.211 0.306 77 V C -2.006 173.969 176.094 -0.198 0.000 1.065 77 V CA -1.798 60.413 62.300 -0.148 0.000 0.894 77 V CB 4.369 36.142 31.823 -0.084 0.000 1.004 77 V HN 0.354 8.508 8.190 -0.059 0.000 0.424 78 A N 6.285 128.872 122.820 -0.389 0.000 2.337 78 A HA 0.803 5.071 4.320 -0.319 -0.140 0.329 78 A C -2.677 174.663 177.584 -0.407 0.000 1.146 78 A CA -2.485 49.241 52.037 -0.519 0.000 0.800 78 A CB 3.519 21.858 19.000 -1.102 0.000 1.220 78 A HN 0.411 8.286 8.150 -0.458 0.000 0.472 79 L N 3.852 124.942 121.223 -0.223 0.000 2.280 79 L HA 0.707 5.158 4.340 -0.094 -0.168 0.287 79 L C -1.858 175.059 176.870 0.079 0.000 1.023 79 L CA -1.302 53.448 54.840 -0.149 0.000 0.819 79 L CB 2.421 44.279 42.059 -0.335 0.000 1.212 79 L HN -0.204 7.916 8.230 -0.183 0.000 0.420 80 H N 8.460 127.645 119.070 0.192 0.000 2.589 80 H HA 0.574 5.625 4.556 0.426 -0.240 0.351 80 H C -1.989 173.667 175.328 0.547 0.000 1.074 80 H CA -2.196 54.097 56.048 0.408 0.000 1.203 80 H CB 3.964 33.983 29.762 0.428 0.000 1.558 80 H HN 0.771 9.264 8.280 0.355 0.000 0.522 81 L N 8.101 129.322 121.223 -0.002 0.000 2.325 81 L HA 0.369 4.882 4.340 0.022 -0.160 0.284 81 L C -1.931 174.747 176.870 -0.319 0.000 1.089 81 L CA -0.815 53.911 54.840 -0.191 0.000 0.836 81 L CB 0.993 42.776 42.059 -0.459 0.000 1.184 81 L HN 0.045 8.226 8.230 -0.081 0.000 0.444 82 D N 8.594 128.994 120.400 0.000 0.000 2.264 82 D HA 0.207 4.933 4.640 0.144 0.000 0.250 82 D C -0.201 176.169 176.300 0.117 0.000 1.113 82 D CA -1.099 52.973 54.000 0.121 0.000 0.871 82 D CB 0.831 41.777 40.800 0.243 0.000 1.167 82 D HN -0.113 8.312 8.370 0.092 0.000 0.447 83 H N 2.491 121.641 119.070 0.133 0.000 2.672 83 H HA -0.424 4.193 4.556 0.101 0.000 0.325 83 H C -0.678 174.657 175.328 0.012 0.000 1.158 83 H CA 1.255 57.353 56.048 0.084 0.000 1.134 83 H CB -2.715 27.094 29.762 0.079 0.000 1.553 83 H HN 0.065 8.257 8.280 -0.146 0.000 0.419 84 G N -2.848 105.968 108.800 0.028 0.000 2.398 84 G HA2 0.029 4.155 3.960 -0.032 0.000 0.246 84 G HA3 0.029 4.027 3.960 -0.071 -0.080 0.246 84 G C -0.833 174.082 174.900 0.024 0.000 1.289 84 G CA 0.019 45.106 45.100 -0.021 0.000 0.869 84 G HN -0.493 7.785 8.290 -0.020 0.000 0.543 85 T N -1.418 113.152 114.554 0.027 0.000 3.010 85 T HA 0.326 4.727 4.350 0.085 0.000 0.257 85 T C 0.149 174.884 174.700 0.059 0.000 1.020 85 T CA -1.018 61.122 62.100 0.067 0.000 0.938 85 T CB 1.550 70.469 68.868 0.085 0.000 1.049 85 T HN 0.121 8.634 8.240 0.007 -0.268 0.522 86 T N -3.287 111.285 114.554 0.030 0.000 2.868 86 T HA 0.276 4.675 4.350 0.081 0.000 0.306 86 T C -0.349 174.383 174.700 0.053 0.000 1.224 86 T CA -2.182 59.953 62.100 0.058 0.000 1.012 86 T CB 2.939 71.842 68.868 0.058 0.000 1.221 86 T HN -0.899 7.342 8.240 0.003 0.000 0.499 87 F N 3.241 123.168 119.950 -0.038 0.000 2.126 87 F HA -0.386 4.106 4.527 -0.058 0.000 0.299 87 F C 0.845 176.617 175.800 -0.046 0.000 1.096 87 F CA 4.057 62.028 58.000 -0.048 0.000 1.255 87 F CB 0.156 39.131 39.000 -0.042 0.000 0.997 87 F HN 0.567 9.024 8.300 0.262 0.000 0.479 88 E N -0.933 119.229 120.200 -0.063 0.000 2.110 88 E HA -0.341 3.858 4.350 -0.252 0.000 0.193 88 E C 2.741 179.219 176.600 -0.205 0.000 0.988 88 E CA 3.296 59.605 56.400 -0.152 0.000 0.804 88 E CB -0.785 28.913 29.700 -0.002 0.000 0.745 88 E HN 0.369 8.794 8.360 0.107 0.000 0.458 89 S N 0.037 115.645 115.700 -0.153 0.000 2.368 89 S HA -0.251 4.129 4.470 -0.150 0.000 0.224 89 S C 1.975 176.430 174.600 -0.242 0.000 1.029 89 S CA 3.034 61.136 58.200 -0.163 0.000 0.988 89 S CB -0.069 63.063 63.200 -0.113 0.000 0.838 89 S HN -0.348 7.887 8.310 -0.105 0.012 0.462 90 C N 1.410 120.549 119.300 -0.268 0.000 2.425 90 C HA -0.376 3.915 4.460 -0.282 0.000 0.277 90 C C 1.310 176.097 174.990 -0.338 0.000 1.280 90 C CA 4.499 63.340 59.018 -0.295 0.000 1.744 90 C CB -0.470 27.118 27.740 -0.253 0.000 1.989 90 C HN -0.465 7.617 8.230 -0.246 0.000 0.491 91 E N 1.398 121.319 120.200 -0.464 0.000 2.077 91 E HA -0.349 3.771 4.350 -0.384 0.000 0.193 91 E C 2.133 178.592 176.600 -0.235 0.000 0.989 91 E CA 3.066 59.217 56.400 -0.415 0.000 0.800 91 E CB -0.228 29.137 29.700 -0.559 0.000 0.746 91 E HN -0.191 7.752 8.360 -0.565 0.078 0.452 92 K N -1.461 118.810 120.400 -0.215 0.000 2.097 92 K HA -0.303 3.954 4.320 -0.105 0.000 0.206 92 K C 2.397 178.912 176.600 -0.143 0.000 1.049 92 K CA 2.956 59.156 56.287 -0.144 0.000 0.933 92 K CB -0.163 32.259 32.500 -0.130 0.000 0.717 92 K HN -0.356 7.751 8.250 -0.239 0.000 0.442 93 A N -0.652 122.013 122.820 -0.258 0.000 1.898 93 A HA -0.185 3.905 4.320 -0.382 0.000 0.216 93 A C 2.044 179.596 177.584 -0.053 0.000 1.181 93 A CA 2.962 54.770 52.037 -0.381 0.000 0.620 93 A CB -0.802 17.700 19.000 -0.831 0.000 0.819 93 A HN -0.602 7.370 8.150 -0.297 0.000 0.442 94 V N -0.645 119.225 119.914 -0.072 0.000 2.295 94 V HA -0.545 3.616 4.120 0.067 0.000 0.246 94 V C 2.676 178.792 176.094 0.037 0.000 1.049 94 V CA 3.880 66.186 62.300 0.009 0.000 1.024 94 V CB -0.218 31.582 31.823 -0.040 0.000 0.648 94 V HN -0.257 7.849 8.190 -0.141 0.000 0.447 95 K N 0.071 120.471 120.400 -0.000 0.000 2.147 95 K HA -0.299 4.031 4.320 0.018 0.000 0.205 95 K C 1.052 177.685 176.600 0.055 0.000 1.049 95 K CA 2.681 58.977 56.287 0.016 0.000 0.936 95 K CB -0.038 32.458 32.500 -0.008 0.000 0.722 95 K HN -0.267 7.960 8.250 -0.039 0.000 0.446 96 A N -4.430 118.447 122.820 0.095 0.000 2.119 96 A HA 0.036 4.416 4.320 0.101 0.000 0.216 96 A C 0.054 177.737 177.584 0.164 0.000 1.152 96 A CA 0.751 52.875 52.037 0.144 0.000 0.708 96 A CB 0.736 19.864 19.000 0.213 0.000 0.805 96 A HN -0.507 7.579 8.150 0.090 0.118 0.460 97 G N -3.366 105.545 108.800 0.184 0.000 2.164 97 G HA2 -0.169 3.849 3.960 0.096 0.000 0.154 97 G HA3 -0.169 3.839 3.960 0.079 0.000 0.154 97 G C -0.308 174.670 174.900 0.130 0.000 1.014 97 G CA -0.550 44.623 45.100 0.122 0.000 0.683 97 G HN -0.695 7.683 8.290 0.195 0.029 0.500 98 F N 0.738 120.702 119.950 0.023 0.000 2.553 98 F HA -0.208 4.344 4.527 0.042 0.000 0.356 98 F C 0.510 176.326 175.800 0.026 0.000 1.142 98 F CA 1.520 59.537 58.000 0.029 0.000 1.322 98 F CB 0.718 39.727 39.000 0.015 0.000 1.126 98 F HN -0.670 7.993 8.300 0.604 0.000 0.599 99 T N -3.431 111.217 114.554 0.156 0.000 3.044 99 T HA 0.110 4.527 4.350 0.111 0.000 0.260 99 T C -0.329 174.472 174.700 0.169 0.000 1.019 99 T CA -0.351 61.815 62.100 0.109 0.000 0.921 99 T CB 1.077 69.958 68.868 0.022 0.000 1.053 99 T HN 0.339 8.645 8.240 0.110 0.000 0.533 100 S N 1.258 117.114 115.700 0.260 0.000 2.543 100 S HA 0.699 5.555 4.470 0.326 -0.191 0.271 100 S C -2.149 172.596 174.600 0.241 0.000 1.148 100 S CA -0.428 57.998 58.200 0.376 0.000 0.914 100 S CB 2.147 65.752 63.200 0.675 0.000 1.096 100 S HN -0.678 7.812 8.310 0.300 0.000 0.471 101 V N -0.308 119.668 119.914 0.103 0.000 2.841 101 V HA 0.528 4.460 4.120 -0.313 0.000 0.310 101 V C -2.499 173.536 176.094 -0.099 0.000 1.090 101 V CA -2.406 59.810 62.300 -0.139 0.000 0.930 101 V CB 3.797 35.544 31.823 -0.127 0.000 1.014 101 V HN 0.608 8.880 8.190 0.137 0.000 0.425 102 M N 4.896 124.377 119.600 -0.199 0.000 2.180 102 M HA 0.598 5.315 4.480 0.067 -0.196 0.350 102 M C -2.029 174.244 176.300 -0.045 0.000 1.125 102 M CA -1.096 54.197 55.300 -0.010 0.000 1.031 102 M CB 2.979 35.626 32.600 0.077 0.000 1.623 102 M HN 0.290 8.365 8.290 -0.359 0.000 0.451 103 I N 7.365 127.922 120.570 -0.021 0.000 2.307 103 I HA 0.281 4.575 4.170 -0.029 -0.140 0.289 103 I C -2.690 173.416 176.117 -0.019 0.000 1.021 103 I CA -1.872 59.414 61.300 -0.024 0.000 1.224 103 I CB 2.076 40.062 38.000 -0.024 0.000 1.376 103 I HN 0.305 8.511 8.210 -0.007 0.000 0.470 104 D N 9.765 130.163 120.400 -0.002 0.000 2.443 104 D HA 0.149 4.780 4.640 -0.015 0.000 0.221 104 D C -1.671 174.601 176.300 -0.046 0.000 1.097 104 D CA -1.175 52.836 54.000 0.018 0.000 0.865 104 D CB 1.280 42.178 40.800 0.164 0.000 1.034 104 D HN 0.205 8.585 8.370 0.017 0.000 0.511 105 A N 6.383 129.088 122.820 -0.190 0.000 2.705 105 A HA 0.419 4.337 4.320 -0.670 0.000 0.294 105 A C 0.360 177.726 177.584 -0.363 0.000 1.039 105 A CA -0.967 50.743 52.037 -0.544 0.000 1.005 105 A CB -0.143 18.393 19.000 -0.773 0.000 1.192 105 A HN 0.275 8.332 8.150 -0.156 0.000 0.513 106 S N 1.107 116.742 115.700 -0.107 0.000 2.419 106 S HA -0.282 4.130 4.470 -0.097 0.000 0.233 106 S C 0.439 175.065 174.600 0.044 0.000 1.016 106 S CA 2.455 60.632 58.200 -0.038 0.000 0.974 106 S CB 0.384 63.586 63.200 0.004 0.000 0.786 106 S HN -0.486 8.103 8.310 -0.014 -0.287 0.492 107 H N -2.560 116.582 119.070 0.120 0.000 2.539 107 H HA 0.139 4.745 4.556 0.083 0.000 0.267 107 H C -0.228 175.219 175.328 0.198 0.000 0.982 107 H CA -0.431 55.700 56.048 0.137 0.000 1.146 107 H CB -0.368 29.462 29.762 0.113 0.000 1.382 107 H HN -0.063 8.211 8.280 0.043 0.031 0.577 108 H N 1.390 120.255 119.070 -0.343 0.000 2.607 108 H HA -0.080 4.393 4.556 -0.138 0.000 0.367 108 H C -0.380 174.919 175.328 -0.050 0.000 1.181 108 H CA -0.236 55.700 56.048 -0.186 0.000 1.402 108 H CB 1.077 30.711 29.762 -0.214 0.000 1.474 108 H HN -0.768 7.326 8.280 -0.052 0.155 0.596 109 A N 0.688 123.569 122.820 0.103 0.000 2.547 109 A HA -0.178 4.213 4.320 0.119 0.000 0.233 109 A C -0.154 177.521 177.584 0.151 0.000 1.067 109 A CA 0.137 52.244 52.037 0.116 0.000 0.763 109 A CB 0.892 19.946 19.000 0.090 0.000 1.007 109 A HN -0.159 8.211 8.150 0.065 -0.181 0.506 110 F N 1.594 121.576 119.950 0.052 0.000 2.063 110 F HA -0.487 4.086 4.527 0.078 0.000 0.298 110 F C 1.340 177.204 175.800 0.105 0.000 1.109 110 F CA 4.293 62.339 58.000 0.077 0.000 1.212 110 F CB 0.150 39.190 39.000 0.066 0.000 0.973 110 F HN 0.634 9.127 8.300 0.321 0.000 0.480 111 E N -4.124 116.142 120.200 0.110 0.000 2.150 111 E HA -0.377 3.891 4.350 -0.137 0.000 0.193 111 E C 2.535 179.088 176.600 -0.078 0.000 0.985 111 E CA 3.314 59.702 56.400 -0.021 0.000 0.814 111 E CB -0.913 28.841 29.700 0.090 0.000 0.752 111 E HN 0.641 9.148 8.360 0.245 0.000 0.466 112 E N -0.063 120.129 120.200 -0.013 0.000 2.107 112 E HA -0.282 4.064 4.350 -0.007 0.000 0.191 112 E C 2.298 178.876 176.600 -0.036 0.000 0.982 112 E CA 2.603 59.009 56.400 0.010 0.000 0.809 112 E CB -0.285 29.474 29.700 0.099 0.000 0.756 112 E HN -0.596 7.781 8.360 0.029 0.000 0.459 113 N N 0.221 118.886 118.700 -0.058 0.000 2.084 113 N HA -0.240 4.397 4.740 -0.172 0.000 0.190 113 N C 1.907 177.395 175.510 -0.036 0.000 1.030 113 N CA 2.908 55.909 53.050 -0.082 0.000 0.849 113 N CB -0.085 38.371 38.487 -0.050 0.000 1.012 113 N HN -0.368 7.991 8.380 -0.036 0.000 0.423 114 L N -0.303 120.817 121.223 -0.171 0.000 2.017 114 L HA -0.283 3.672 4.340 -0.640 0.000 0.208 114 L C 1.152 177.821 176.870 -0.335 0.000 1.073 114 L CA 3.405 57.986 54.840 -0.432 0.000 0.745 114 L CB -0.244 41.441 42.059 -0.624 0.000 0.894 114 L HN -0.086 7.982 8.230 -0.270 0.000 0.432 115 E N -0.526 119.542 120.200 -0.220 0.000 2.058 115 E HA -0.408 3.833 4.350 -0.180 0.000 0.194 115 E C 2.357 178.864 176.600 -0.155 0.000 0.997 115 E CA 3.272 59.571 56.400 -0.168 0.000 0.801 115 E CB -0.036 29.596 29.700 -0.114 0.000 0.746 115 E HN -0.514 7.729 8.360 -0.195 0.000 0.450 116 L N -1.348 119.799 121.223 -0.127 0.000 2.046 116 L HA -0.265 4.015 4.340 -0.101 0.000 0.208 116 L C 1.805 178.622 176.870 -0.089 0.000 1.077 116 L CA 3.065 57.845 54.840 -0.100 0.000 0.747 116 L CB -0.140 41.863 42.059 -0.094 0.000 0.896 116 L HN -0.382 7.777 8.230 -0.117 0.000 0.432 117 T N 2.238 116.725 114.554 -0.111 0.000 2.746 117 T HA -0.473 3.844 4.350 -0.056 0.000 0.267 117 T C 1.864 176.462 174.700 -0.171 0.000 1.039 117 T CA 5.517 67.553 62.100 -0.106 0.000 1.142 117 T CB -0.291 68.534 68.868 -0.071 0.000 0.866 117 T HN 0.086 8.254 8.240 -0.119 0.000 0.444 118 S N 1.239 116.799 115.700 -0.234 0.000 2.399 118 S HA -0.238 4.082 4.470 -0.250 0.000 0.231 118 S C 1.464 175.969 174.600 -0.158 0.000 1.022 118 S CA 3.385 61.450 58.200 -0.225 0.000 0.983 118 S CB -0.576 62.485 63.200 -0.231 0.000 0.803 118 S HN -0.140 8.014 8.310 -0.260 0.000 0.480 119 K N 2.510 122.831 120.400 -0.132 0.000 2.057 119 K HA -0.223 4.018 4.320 -0.131 0.000 0.206 119 K C 2.269 178.897 176.600 0.047 0.000 1.050 119 K CA 3.129 59.346 56.287 -0.117 0.000 0.935 119 K CB -0.110 32.250 32.500 -0.234 0.000 0.715 119 K HN -0.695 7.367 8.250 -0.140 0.104 0.439 120 V N 0.074 120.054 119.914 0.111 0.000 2.343 120 V HA -0.538 3.775 4.120 0.321 0.000 0.247 120 V C 1.673 177.758 176.094 -0.014 0.000 1.051 120 V CA 4.368 66.758 62.300 0.150 0.000 1.036 120 V CB 0.067 31.928 31.823 0.064 0.000 0.654 120 V HN -0.365 7.859 8.190 0.057 0.000 0.451 121 V N -0.087 119.743 119.914 -0.140 0.000 2.343 121 V HA -0.567 3.318 4.120 -0.391 0.000 0.247 121 V C 1.615 177.521 176.094 -0.313 0.000 1.051 121 V CA 4.810 66.901 62.300 -0.349 0.000 1.036 121 V CB -0.479 31.076 31.823 -0.448 0.000 0.654 121 V HN 0.042 8.148 8.190 -0.140 0.000 0.451 122 K N -0.629 119.681 120.400 -0.149 0.000 2.057 122 K HA -0.385 3.895 4.320 -0.067 0.000 0.207 122 K C 2.186 178.795 176.600 0.015 0.000 1.049 122 K CA 3.524 59.775 56.287 -0.061 0.000 0.931 122 K CB -0.172 32.303 32.500 -0.041 0.000 0.714 122 K HN -0.542 7.633 8.250 -0.125 0.000 0.440 123 M N -0.883 118.756 119.600 0.065 0.000 2.099 123 M HA -0.245 4.297 4.480 0.102 0.000 0.262 123 M C 1.921 178.253 176.300 0.054 0.000 1.067 123 M CA 2.629 57.989 55.300 0.101 0.000 1.124 123 M CB -0.289 32.437 32.600 0.210 0.000 1.353 123 M HN -0.786 7.557 8.290 0.088 0.000 0.410 124 A N -1.273 121.564 122.820 0.028 0.000 1.897 124 A HA -0.346 3.998 4.320 0.041 0.000 0.215 124 A C 1.922 179.603 177.584 0.162 0.000 1.181 124 A CA 2.808 54.880 52.037 0.058 0.000 0.620 124 A CB -0.435 18.586 19.000 0.036 0.000 0.821 124 A HN 0.158 8.307 8.150 -0.000 0.000 0.443 125 H N -1.192 117.882 119.070 0.006 0.000 2.423 125 H HA -0.216 4.345 4.556 0.008 0.000 0.297 125 H C 3.199 178.535 175.328 0.012 0.000 1.075 125 H CA 2.028 58.080 56.048 0.006 0.000 1.342 125 H CB 0.119 29.880 29.762 -0.002 0.000 1.395 125 H HN 0.118 8.473 8.280 0.125 0.000 0.530 126 N N 0.930 119.715 118.700 0.141 0.000 2.272 126 N HA -0.233 4.551 4.740 0.075 0.000 0.185 126 N C 0.298 175.845 175.510 0.063 0.000 1.014 126 N CA 2.226 55.325 53.050 0.082 0.000 0.870 126 N CB 0.127 38.653 38.487 0.064 0.000 0.975 126 N HN -0.248 8.211 8.380 0.133 0.000 0.433 127 A N -3.811 119.050 122.820 0.068 0.000 2.387 127 A HA 0.281 4.627 4.320 0.043 0.000 0.234 127 A C 0.041 177.656 177.584 0.052 0.000 1.253 127 A CA -0.716 51.352 52.037 0.052 0.000 0.894 127 A CB 0.314 19.340 19.000 0.045 0.000 0.963 127 A HN -0.640 7.411 8.150 0.082 0.149 0.508 128 G N -0.932 107.899 108.800 0.053 0.000 2.198 128 G HA2 -0.296 3.669 3.960 0.009 0.000 0.257 128 G HA3 -0.296 3.680 3.960 0.027 0.000 0.257 128 G C -0.440 174.492 174.900 0.053 0.000 1.042 128 G CA 0.314 45.434 45.100 0.033 0.000 0.791 128 G HN -0.528 7.636 8.290 0.061 0.163 0.502 129 V N -0.601 119.367 119.914 0.090 0.000 2.581 129 V HA 0.026 4.211 4.120 0.108 0.000 0.303 129 V C -1.104 175.086 176.094 0.160 0.000 1.041 129 V CA -1.311 61.058 62.300 0.116 0.000 0.907 129 V CB 2.715 34.600 31.823 0.105 0.000 0.994 129 V HN -0.387 7.868 8.190 0.109 0.000 0.442 130 S N 4.914 120.711 115.700 0.162 0.000 2.632 130 S HA 0.288 4.984 4.470 0.151 -0.136 0.271 130 S C -0.983 173.644 174.600 0.045 0.000 1.260 130 S CA -0.825 57.458 58.200 0.139 0.000 1.010 130 S CB 1.161 64.504 63.200 0.238 0.000 0.965 130 S HN -0.251 8.165 8.310 0.177 0.000 0.534 131 V N 0.237 120.058 119.914 -0.156 0.000 2.789 131 V HA 0.712 5.008 4.120 -0.075 -0.221 0.311 131 V C -1.815 174.038 176.094 -0.402 0.000 1.073 131 V CA -1.801 60.393 62.300 -0.177 0.000 0.921 131 V CB 4.208 35.958 31.823 -0.122 0.000 1.009 131 V HN 0.417 8.775 8.190 -0.214 -0.297 0.426 132 E N 5.549 125.663 120.200 -0.143 0.000 2.212 132 E HA 0.892 5.401 4.350 -0.109 -0.224 0.268 132 E C -2.137 174.497 176.600 0.056 0.000 0.902 132 E CA -2.992 53.406 56.400 -0.003 0.000 0.779 132 E CB 4.211 34.124 29.700 0.355 0.000 1.172 132 E HN 0.213 8.570 8.360 -0.005 0.000 0.409 133 A N 2.772 125.638 122.820 0.077 0.000 2.524 133 A HA 0.824 5.340 4.320 0.035 -0.175 0.286 133 A C -2.564 174.997 177.584 -0.039 0.000 1.203 133 A CA -1.933 50.139 52.037 0.057 0.000 0.736 133 A CB 4.348 23.477 19.000 0.215 0.000 1.322 133 A HN -0.071 8.132 8.150 0.088 0.000 0.424 134 E N -0.991 119.121 120.200 -0.146 0.000 2.293 134 E HA 0.724 5.137 4.350 -0.168 -0.165 0.270 134 E C -1.801 174.621 176.600 -0.297 0.000 0.879 134 E CA -1.595 54.689 56.400 -0.194 0.000 0.756 134 E CB 3.729 33.332 29.700 -0.161 0.000 1.208 134 E HN 0.259 8.529 8.360 -0.150 0.000 0.428 135 L N 3.119 124.187 121.223 -0.257 0.000 2.401 135 L HA 0.321 4.525 4.340 -0.226 0.000 0.266 135 L C -1.722 175.078 176.870 -0.116 0.000 0.991 135 L CA -1.074 53.631 54.840 -0.226 0.000 0.818 135 L CB 3.483 45.381 42.059 -0.268 0.000 1.321 135 L HN -0.108 7.999 8.230 -0.205 0.000 0.413 136 G N 0.147 108.905 108.800 -0.069 0.000 2.712 136 G HA2 -0.352 3.667 3.960 -0.028 0.000 0.683 136 G HA3 -0.352 3.577 3.960 -0.051 0.000 0.683 136 G C -2.014 172.865 174.900 -0.036 0.000 1.320 136 G CA -0.557 44.517 45.100 -0.044 0.000 0.847 136 G HN 0.050 8.306 8.290 -0.056 0.000 0.553 137 R N -0.113 120.370 120.500 -0.028 0.000 2.387 137 R HA 0.270 4.600 4.340 -0.016 0.000 0.314 137 R C -0.916 175.354 176.300 -0.051 0.000 0.958 137 R CA -1.194 54.892 56.100 -0.024 0.000 0.846 137 R CB 1.700 31.996 30.300 -0.006 0.000 1.147 137 R HN 0.147 8.401 8.270 -0.027 0.000 0.447 138 L N 8.392 129.568 121.223 -0.077 0.000 2.462 138 L HA -0.040 4.232 4.340 -0.113 0.000 0.283 138 L C -1.274 175.527 176.870 -0.115 0.000 1.166 138 L CA 0.401 55.166 54.840 -0.125 0.000 0.964 138 L CB -0.628 41.295 42.059 -0.225 0.000 1.294 138 L HN 0.423 8.610 8.230 -0.071 0.000 0.449 139 M N 3.332 122.880 119.600 -0.087 0.000 2.773 139 M HA 0.169 4.590 4.480 -0.099 0.000 0.270 139 M C -1.492 174.774 176.300 -0.057 0.000 1.238 139 M CA -1.844 53.410 55.300 -0.077 0.000 0.832 139 M CB 4.471 37.042 32.600 -0.048 0.000 1.672 139 M HN -0.603 7.643 8.290 -0.074 0.000 0.480 140 G N -1.064 107.707 108.800 -0.049 0.000 2.491 140 G HA2 -0.101 4.054 3.960 0.037 0.000 0.242 140 G HA3 -0.101 3.876 3.960 0.029 0.000 0.242 140 G C 0.005 174.929 174.900 0.040 0.000 1.266 140 G CA -0.389 44.721 45.100 0.015 0.000 0.844 140 G HN 0.133 8.385 8.290 -0.062 0.000 0.571 153 V N 0.203 120.111 119.914 -0.009 0.000 2.239 153 V HA -0.142 3.974 4.120 -0.006 0.000 0.242 153 V C 0.555 176.639 176.094 -0.018 0.000 1.038 153 V CA 1.212 63.505 62.300 -0.010 0.000 1.002 153 V CB 0.355 32.171 31.823 -0.011 0.000 0.641 153 V HN -0.142 8.041 8.190 -0.010 0.000 0.449 154 L N -4.260 116.949 121.223 -0.023 0.000 2.479 154 L HA -0.042 4.277 4.340 -0.035 0.000 0.249 154 L C 0.624 177.474 176.870 -0.033 0.000 1.178 154 L CA -1.143 53.678 54.840 -0.032 0.000 0.811 154 L CB 0.240 42.278 42.059 -0.035 0.000 1.187 154 L HN -0.666 7.551 8.230 -0.022 0.000 0.480 155 V N 0.082 119.972 119.914 -0.040 0.000 2.694 155 V HA -0.278 3.816 4.120 -0.043 0.000 0.306 155 V C -1.633 174.441 176.094 -0.034 0.000 1.054 155 V CA 0.709 62.985 62.300 -0.041 0.000 1.161 155 V CB 1.240 33.037 31.823 -0.043 0.000 0.916 155 V HN -0.167 7.997 8.190 -0.043 0.000 0.490 156 N N 8.849 127.527 118.700 -0.036 0.000 2.462 156 N HA 0.315 5.032 4.740 -0.038 0.000 0.242 156 N C -1.252 174.238 175.510 -0.034 0.000 1.010 156 N CA -3.601 49.424 53.050 -0.042 0.000 0.939 156 N CB 0.185 38.632 38.487 -0.067 0.000 1.127 156 N HN 0.403 8.761 8.380 -0.036 0.000 0.509 157 P HA -0.279 4.142 4.420 0.002 0.000 0.217 157 P C 0.882 178.181 177.300 -0.001 0.000 1.148 157 P CA 2.082 65.179 63.100 -0.006 0.000 0.828 157 P CB 0.387 32.085 31.700 -0.003 0.000 0.783 158 K N -4.417 115.968 120.400 -0.024 0.000 2.167 158 K HA -0.112 4.204 4.320 -0.007 0.000 0.203 158 K C 2.383 178.955 176.600 -0.048 0.000 1.052 158 K CA 1.785 58.054 56.287 -0.030 0.000 0.956 158 K CB -0.423 32.048 32.500 -0.048 0.000 0.735 158 K HN -0.436 7.955 8.250 -0.036 -0.162 0.451 159 E N 0.236 120.372 120.200 -0.106 0.000 2.077 159 E HA -0.343 3.798 4.350 -0.349 0.000 0.193 159 E C 2.168 178.868 176.600 0.165 0.000 0.989 159 E CA 3.122 59.426 56.400 -0.161 0.000 0.800 159 E CB -0.155 29.390 29.700 -0.258 0.000 0.746 159 E HN -0.756 7.732 8.360 -0.115 -0.197 0.452 160 A N -1.061 121.823 122.820 0.108 0.000 1.902 160 A HA -0.313 4.108 4.320 0.168 0.000 0.217 160 A C 1.709 179.408 177.584 0.191 0.000 1.181 160 A CA 3.345 55.467 52.037 0.142 0.000 0.623 160 A CB -1.018 18.014 19.000 0.054 0.000 0.818 160 A HN -0.086 8.014 8.150 0.043 0.076 0.443 161 E N -0.953 119.321 120.200 0.123 0.000 2.070 161 E HA -0.476 3.934 4.350 0.101 0.000 0.197 161 E C 1.994 178.680 176.600 0.144 0.000 1.004 161 E CA 3.191 59.656 56.400 0.108 0.000 0.805 161 E CB -0.187 29.550 29.700 0.062 0.000 0.744 161 E HN -0.432 7.979 8.360 0.085 0.000 0.451 162 Q N -1.086 118.819 119.800 0.177 0.000 2.123 162 Q HA -0.234 4.186 4.340 0.134 0.000 0.199 162 Q C 2.152 178.316 176.000 0.273 0.000 0.966 162 Q CA 2.794 58.717 55.803 0.200 0.000 0.845 162 Q CB 0.032 28.891 28.738 0.201 0.000 0.907 162 Q HN -0.757 7.610 8.270 0.162 0.000 0.439 163 F N 1.087 121.187 119.950 0.249 0.000 2.102 163 F HA -0.344 4.239 4.527 0.093 0.000 0.298 163 F C 1.473 177.300 175.800 0.044 0.000 1.105 163 F CA 3.935 62.024 58.000 0.148 0.000 1.239 163 F CB 0.313 39.419 39.000 0.176 0.000 0.991 163 F HN -0.058 8.590 8.300 0.580 0.000 0.474 164 V N -0.415 119.673 119.914 0.290 0.000 2.358 164 V HA -0.585 3.636 4.120 0.169 0.000 0.246 164 V C 2.088 178.204 176.094 0.038 0.000 1.047 164 V CA 3.881 66.278 62.300 0.162 0.000 1.035 164 V CB -0.058 31.864 31.823 0.165 0.000 0.658 164 V HN -0.114 8.278 8.190 0.336 0.000 0.452 165 K N -0.394 120.035 120.400 0.048 0.000 2.057 165 K HA -0.304 4.027 4.320 0.017 0.000 0.207 165 K C 2.097 178.681 176.600 -0.028 0.000 1.049 165 K CA 3.208 59.506 56.287 0.017 0.000 0.931 165 K CB -0.148 32.373 32.500 0.035 0.000 0.714 165 K HN -0.710 7.590 8.250 0.083 0.000 0.440 166 E N -2.012 118.151 120.200 -0.062 0.000 2.170 166 E HA -0.147 4.160 4.350 -0.072 0.000 0.191 166 E C 1.643 178.130 176.600 -0.189 0.000 0.981 166 E CA 2.021 58.357 56.400 -0.107 0.000 0.830 166 E CB 0.401 30.043 29.700 -0.097 0.000 0.775 166 E HN -0.385 7.946 8.360 -0.049 0.000 0.470 167 S N -1.651 113.872 115.700 -0.294 0.000 2.458 167 S HA -0.030 4.239 4.470 -0.335 0.000 0.223 167 S C 0.468 174.937 174.600 -0.217 0.000 1.019 167 S CA 1.173 59.160 58.200 -0.355 0.000 0.937 167 S CB 1.864 64.679 63.200 -0.642 0.000 0.788 167 S HN -0.520 7.601 8.310 -0.316 0.000 0.511 168 Q N -3.011 116.712 119.800 -0.127 0.000 2.468 168 Q HA -0.458 3.940 4.340 -0.003 -0.060 0.256 168 Q C -1.045 174.943 176.000 -0.020 0.000 0.984 168 Q CA 0.918 56.699 55.803 -0.036 0.000 1.110 168 Q CB -2.533 26.208 28.738 0.006 0.000 1.527 168 Q HN -0.434 7.766 8.270 -0.116 0.000 0.535 169 V N -2.002 117.869 119.914 -0.073 0.000 2.901 169 V HA -0.350 3.707 4.120 -0.104 0.000 0.307 169 V C -0.490 175.600 176.094 -0.007 0.000 1.084 169 V CA 1.277 63.545 62.300 -0.053 0.000 1.184 169 V CB 0.514 32.347 31.823 0.017 0.000 0.941 169 V HN -0.640 7.442 8.190 -0.109 0.043 0.493 170 D N 7.590 127.935 120.400 -0.091 0.000 2.183 170 D HA -0.080 4.579 4.640 0.031 0.000 0.205 170 D C -0.081 176.230 176.300 0.018 0.000 0.962 170 D CA 2.610 56.560 54.000 -0.084 0.000 0.849 170 D CB 1.290 41.967 40.800 -0.205 0.000 0.978 170 D HN -0.167 8.099 8.370 -0.173 0.000 0.488 171 Y N -6.921 113.423 120.300 0.072 0.000 2.588 171 Y HA 0.444 5.113 4.550 0.004 -0.116 0.343 171 Y C -1.857 174.075 175.900 0.053 0.000 1.065 171 Y CA -2.251 55.867 58.100 0.029 0.000 1.038 171 Y CB 2.700 41.153 38.460 -0.012 0.000 1.297 171 Y HN -0.570 7.449 8.280 -0.434 0.000 0.467 172 L N 0.576 121.911 121.223 0.187 0.000 2.381 172 L HA 0.647 5.192 4.340 0.095 -0.148 0.268 172 L C -2.100 174.817 176.870 0.079 0.000 0.997 172 L CA -1.853 53.049 54.840 0.103 0.000 0.818 172 L CB 4.957 47.058 42.059 0.070 0.000 1.310 172 L HN -0.239 8.098 8.230 0.178 0.000 0.416 173 A N 3.935 126.779 122.820 0.040 0.000 2.322 173 A HA 0.842 5.394 4.320 0.077 -0.186 0.327 173 A C -2.933 174.633 177.584 -0.029 0.000 1.394 173 A CA -3.897 48.165 52.037 0.042 0.000 0.921 173 A CB 0.505 19.540 19.000 0.058 0.000 1.153 173 A HN 0.665 8.820 8.150 0.008 0.000 0.523 174 P HA 0.406 4.920 4.420 -0.063 -0.132 0.296 174 P C -1.567 175.711 177.300 -0.037 0.000 1.306 174 P CA -1.530 61.547 63.100 -0.038 0.000 0.818 174 P CB 1.309 32.997 31.700 -0.019 0.000 0.969 175 A N 3.461 126.247 122.820 -0.056 0.000 2.444 175 A HA 0.088 4.375 4.320 -0.055 0.000 0.273 175 A C -0.528 177.024 177.584 -0.054 0.000 1.136 175 A CA -0.159 51.845 52.037 -0.056 0.000 0.799 175 A CB 0.491 19.455 19.000 -0.061 0.000 1.081 175 A HN -0.093 8.019 8.150 -0.065 0.000 0.509 176 I N -2.683 117.852 120.570 -0.059 0.000 4.102 176 I HA 0.326 4.446 4.170 -0.083 0.000 0.325 176 I C -0.352 175.709 176.117 -0.093 0.000 1.471 176 I CA -1.452 59.795 61.300 -0.089 0.000 1.133 176 I CB 0.512 38.438 38.000 -0.124 0.000 1.184 176 I HN 0.187 8.366 8.210 -0.052 0.000 0.451 177 G N -0.891 107.881 108.800 -0.048 0.000 2.227 177 G HA2 -0.307 3.821 3.960 -0.001 0.000 0.168 177 G HA3 -0.307 3.664 3.960 0.020 0.000 0.168 177 G C -0.602 174.317 174.900 0.032 0.000 1.006 177 G CA -0.294 44.807 45.100 0.003 0.000 0.684 177 G HN 0.199 8.460 8.290 -0.049 0.000 0.489 178 T N -2.976 111.570 114.554 -0.013 0.000 2.824 178 T HA 0.025 4.309 4.350 -0.110 0.000 0.277 178 T C -1.786 172.815 174.700 -0.164 0.000 0.975 178 T CA -1.489 60.567 62.100 -0.073 0.000 0.966 178 T CB 1.462 70.323 68.868 -0.012 0.000 1.054 178 T HN -0.595 7.634 8.240 -0.019 0.000 0.533 179 S N -1.608 113.960 115.700 -0.221 0.000 2.596 179 S HA 0.347 4.647 4.470 -0.284 0.000 0.270 179 S C -1.500 173.001 174.600 -0.165 0.000 1.155 179 S CA -1.517 56.544 58.200 -0.232 0.000 0.827 179 S CB 2.535 65.618 63.200 -0.195 0.000 1.130 179 S HN 0.043 8.213 8.310 -0.233 0.000 0.467 180 H N 1.804 120.859 119.070 -0.024 0.000 2.707 180 H HA 0.026 4.587 4.556 0.009 0.000 0.359 180 H C 0.893 176.209 175.328 -0.020 0.000 1.113 180 H CA 1.458 57.502 56.048 -0.007 0.000 1.422 180 H CB 0.410 30.169 29.762 -0.004 0.000 1.443 180 H HN 0.394 8.548 8.280 -0.211 0.000 0.591 181 G N 0.975 109.848 108.800 0.122 0.000 2.685 181 G HA2 -0.252 3.727 3.960 0.031 0.000 0.387 181 G HA3 -0.252 3.768 3.960 0.099 0.000 0.387 181 G C -0.831 174.035 174.900 -0.056 0.000 1.324 181 G CA -0.561 44.571 45.100 0.052 0.000 0.878 181 G HN 0.253 8.620 8.290 0.130 0.000 0.527 182 A N 0.247 122.961 122.820 -0.178 0.000 2.238 182 A HA -0.024 4.079 4.320 -0.361 0.000 0.208 182 A C -0.828 176.288 177.584 -0.780 0.000 1.177 182 A CA 0.838 52.554 52.037 -0.535 0.000 0.804 182 A CB 0.434 18.971 19.000 -0.773 0.000 0.823 182 A HN 0.337 8.431 8.150 -0.092 0.000 0.482 183 F N -4.825 115.086 119.950 -0.065 0.000 2.471 183 F HA 0.255 4.755 4.527 -0.046 0.000 0.318 183 F C -0.250 175.466 175.800 -0.140 0.000 1.308 183 F CA -1.039 56.920 58.000 -0.068 0.000 1.162 183 F CB -1.339 37.635 39.000 -0.044 0.000 1.383 183 F HN -0.434 7.826 8.300 0.028 0.057 0.552 184 K N -0.292 120.001 120.400 -0.178 0.000 2.243 184 K HA 0.044 4.115 4.320 -0.416 0.000 0.201 184 K C -0.320 175.834 176.600 -0.743 0.000 1.051 184 K CA 1.460 57.413 56.287 -0.558 0.000 0.970 184 K CB 1.169 33.125 32.500 -0.906 0.000 0.755 184 K HN -0.361 7.781 8.250 -0.180 0.000 0.465 185 F N -2.425 117.547 119.950 0.038 0.000 2.557 185 F HA 0.073 4.618 4.527 0.031 0.000 0.316 185 F C -1.134 174.689 175.800 0.039 0.000 1.141 185 F CA -1.103 56.914 58.000 0.029 0.000 0.922 185 F CB 2.458 41.462 39.000 0.005 0.000 1.194 185 F HN -0.672 7.644 8.300 0.026 0.000 0.443 186 K N 4.868 125.393 120.400 0.208 0.000 2.248 186 K HA 0.166 4.564 4.320 0.131 0.000 0.281 186 K C 0.533 177.209 176.600 0.128 0.000 1.054 186 K CA -0.186 56.184 56.287 0.139 0.000 0.903 186 K CB 0.324 32.879 32.500 0.091 0.000 1.077 186 K HN 0.269 8.632 8.250 0.188 0.000 0.474 187 G N 5.167 114.022 108.800 0.092 0.000 2.693 187 G HA2 -0.265 3.717 3.960 0.036 0.000 0.226 187 G HA3 -0.265 3.726 3.960 0.051 0.000 0.226 187 G C -1.128 173.787 174.900 0.025 0.000 1.354 187 G CA -0.596 44.536 45.100 0.053 0.000 0.873 187 G HN 0.113 8.455 8.290 0.085 0.000 0.562 188 E N 2.168 122.356 120.200 -0.020 0.000 2.344 188 E HA 0.143 4.417 4.350 -0.127 0.000 0.270 188 E C -1.565 174.896 176.600 -0.232 0.000 1.021 188 E CA -1.785 54.554 56.400 -0.102 0.000 0.887 188 E CB 0.449 30.114 29.700 -0.058 0.000 0.997 188 E HN 0.156 8.513 8.360 -0.005 0.000 0.429 189 P HA -0.084 3.097 4.420 -2.065 0.000 0.265 189 P C -1.650 175.444 177.300 -0.343 0.000 1.187 189 P CA 0.620 63.028 63.100 -1.154 0.000 0.766 189 P CB 0.512 31.433 31.700 -1.299 0.000 0.820 190 K N 2.322 122.595 120.400 -0.211 0.000 2.543 190 K HA 0.222 4.668 4.320 0.210 0.000 0.255 190 K C -2.146 174.487 176.600 0.056 0.000 0.934 190 K CA -0.477 55.861 56.287 0.085 0.000 0.810 190 K CB 2.547 35.072 32.500 0.042 0.000 1.315 190 K HN 0.089 8.098 8.250 -0.402 0.000 0.433 191 L N 2.320 123.434 121.223 -0.182 0.000 2.371 191 L HA 0.380 4.691 4.340 -0.216 -0.101 0.262 191 L C -1.117 175.387 176.870 -0.609 0.000 1.006 191 L CA -1.489 53.081 54.840 -0.450 0.000 0.818 191 L CB 3.371 44.936 42.059 -0.824 0.000 1.354 191 L HN 0.066 8.137 8.230 -0.265 0.000 0.415 192 D N 1.909 122.039 120.400 -0.450 0.000 2.522 192 D HA 0.146 4.659 4.640 -0.213 0.000 0.218 192 D C 0.295 176.419 176.300 -0.294 0.000 1.149 192 D CA -1.461 52.371 54.000 -0.280 0.000 0.981 192 D CB -0.746 39.970 40.800 -0.140 0.000 1.041 192 D HN 0.087 8.236 8.370 -0.367 0.000 0.518 193 F N 3.273 123.176 119.950 -0.078 0.000 2.325 193 F HA -0.233 4.255 4.527 -0.065 0.000 0.299 193 F C 1.588 177.357 175.800 -0.051 0.000 1.090 193 F CA 2.799 60.753 58.000 -0.077 0.000 1.392 193 F CB 0.162 39.090 39.000 -0.121 0.000 1.053 193 F HN -0.427 7.752 8.300 -0.202 0.000 0.521 194 E N -0.959 119.304 120.200 0.105 0.000 2.106 194 E HA -0.350 4.039 4.350 0.065 0.000 0.192 194 E C 2.331 178.950 176.600 0.032 0.000 0.984 194 E CA 3.125 59.559 56.400 0.057 0.000 0.806 194 E CB -0.707 29.012 29.700 0.032 0.000 0.750 194 E HN -0.164 8.245 8.360 0.082 0.000 0.458 195 R N -0.505 119.999 120.500 0.007 0.000 2.081 195 R HA -0.263 4.076 4.340 -0.002 0.000 0.235 195 R C 2.300 178.604 176.300 0.006 0.000 1.131 195 R CA 2.945 59.041 56.100 -0.006 0.000 0.960 195 R CB -0.087 30.195 30.300 -0.031 0.000 0.856 195 R HN -0.614 7.912 8.270 -0.007 -0.260 0.436 196 L N -0.922 120.310 121.223 0.014 0.000 2.012 196 L HA -0.385 3.969 4.340 0.023 0.000 0.210 196 L C 1.671 178.572 176.870 0.052 0.000 1.073 196 L CA 3.240 58.104 54.840 0.039 0.000 0.748 196 L CB -0.348 41.761 42.059 0.083 0.000 0.891 196 L HN -0.509 7.724 8.230 0.004 0.000 0.431 197 Q N -2.366 117.471 119.800 0.062 0.000 2.170 197 Q HA -0.362 4.008 4.340 0.051 0.000 0.203 197 Q C 2.772 178.793 176.000 0.036 0.000 0.976 197 Q CA 3.078 58.910 55.803 0.049 0.000 0.858 197 Q CB -0.209 28.555 28.738 0.044 0.000 0.907 197 Q HN -0.257 8.057 8.270 0.073 0.000 0.433 198 E N 0.423 120.640 120.200 0.029 0.000 2.072 198 E HA -0.228 4.135 4.350 0.022 0.000 0.190 198 E C 2.248 178.863 176.600 0.026 0.000 0.982 198 E CA 2.532 58.945 56.400 0.022 0.000 0.803 198 E CB -0.401 29.307 29.700 0.014 0.000 0.755 198 E HN -0.669 7.708 8.360 0.028 0.000 0.453 199 V N 0.200 120.129 119.914 0.025 0.000 2.287 199 V HA -0.559 3.578 4.120 0.029 0.000 0.248 199 V C 2.288 178.407 176.094 0.042 0.000 1.053 199 V CA 4.395 66.712 62.300 0.029 0.000 1.027 199 V CB -0.226 31.610 31.823 0.022 0.000 0.646 199 V HN -0.343 7.860 8.190 0.022 0.000 0.447 200 K N -0.257 120.171 120.400 0.047 0.000 2.063 200 K HA -0.277 4.083 4.320 0.067 0.000 0.208 200 K C 1.837 178.475 176.600 0.064 0.000 1.048 200 K CA 2.574 58.898 56.287 0.062 0.000 0.928 200 K CB -0.491 32.048 32.500 0.065 0.000 0.713 200 K HN -0.289 7.988 8.250 0.044 0.000 0.442 201 R N -1.566 118.963 120.500 0.049 0.000 2.081 201 R HA -0.235 4.134 4.340 0.049 0.000 0.235 201 R C 2.169 178.496 176.300 0.045 0.000 1.131 201 R CA 3.045 59.171 56.100 0.044 0.000 0.960 201 R CB -0.158 30.161 30.300 0.031 0.000 0.856 201 R HN -0.578 7.718 8.270 0.043 0.000 0.436 202 L N -5.200 116.048 121.223 0.042 0.000 2.313 202 L HA -0.043 4.320 4.340 0.038 0.000 0.214 202 L C 1.498 178.399 176.870 0.051 0.000 1.119 202 L CA 1.958 56.822 54.840 0.042 0.000 0.809 202 L CB 0.361 42.442 42.059 0.037 0.000 0.933 202 L HN -0.461 7.793 8.230 0.040 0.000 0.449 203 T N -7.063 107.524 114.554 0.055 0.000 3.018 203 T HA -0.054 4.333 4.350 0.061 0.000 0.246 203 T C 0.872 175.598 174.700 0.044 0.000 1.026 203 T CA 0.059 62.193 62.100 0.057 0.000 1.081 203 T CB 1.554 70.461 68.868 0.064 0.000 0.970 203 T HN -0.347 7.926 8.240 0.055 0.000 0.475 204 N N 1.916 120.650 118.700 0.058 0.000 2.716 204 N HA -0.434 4.450 4.740 0.148 -0.055 0.250 204 N C -1.573 173.900 175.510 -0.061 0.000 1.033 204 N CA 1.471 54.568 53.050 0.077 0.000 0.727 204 N CB -1.557 36.982 38.487 0.087 0.000 0.950 204 N HN -0.116 8.304 8.380 0.068 0.000 0.541 205 I N -9.348 111.152 120.570 -0.118 0.000 3.239 205 I HA 0.650 4.534 4.170 -0.477 0.000 0.314 205 I C -2.281 173.682 176.117 -0.257 0.000 1.126 205 I CA -3.816 57.323 61.300 -0.269 0.000 0.973 205 I CB 1.364 39.324 38.000 -0.067 0.000 1.252 205 I HN -0.951 7.225 8.210 -0.037 0.012 0.463 206 P HA 0.181 4.803 4.420 -0.057 -0.236 0.268 206 P C -1.100 176.199 177.300 -0.002 0.000 1.204 206 P CA -0.010 63.035 63.100 -0.091 0.000 0.768 206 P CB 0.188 31.824 31.700 -0.107 0.000 0.842 207 L N 1.196 122.411 121.223 -0.013 0.000 2.322 207 L HA 0.746 5.276 4.340 0.042 -0.165 0.269 207 L C -0.583 176.262 176.870 -0.041 0.000 1.012 207 L CA -1.519 53.326 54.840 0.009 0.000 0.815 207 L CB 4.040 46.115 42.059 0.025 0.000 1.295 207 L HN -0.508 7.855 8.230 -0.020 -0.145 0.438 208 V N -0.644 119.269 119.914 -0.003 0.000 2.487 208 V HA 0.465 4.681 4.120 -0.125 -0.171 0.298 208 V C -1.510 174.608 176.094 0.040 0.000 1.028 208 V CA -1.412 60.869 62.300 -0.032 0.000 0.860 208 V CB 2.617 34.457 31.823 0.028 0.000 0.991 208 V HN 0.280 8.491 8.190 0.035 0.000 0.427 209 L N 7.627 128.843 121.223 -0.012 0.000 2.262 209 L HA 0.461 4.848 4.340 0.078 0.000 0.288 209 L C -1.963 174.925 176.870 0.030 0.000 1.035 209 L CA -1.767 53.096 54.840 0.038 0.000 0.820 209 L CB 2.096 44.170 42.059 0.025 0.000 1.204 209 L HN 0.404 8.586 8.230 -0.080 0.000 0.424 210 H N 6.093 125.163 119.070 -0.000 0.000 2.508 210 H HA 0.092 4.699 4.556 0.085 0.000 0.358 210 H C 0.578 175.921 175.328 0.025 0.000 1.212 210 H CA 0.902 56.984 56.048 0.056 0.000 1.356 210 H CB 2.349 32.176 29.762 0.108 0.000 1.525 210 H HN 0.494 8.950 8.280 0.293 0.000 0.578 211 G N -1.220 107.699 108.800 0.198 0.000 2.295 211 G HA2 -0.461 3.616 3.960 0.195 0.000 0.287 211 G HA3 -0.461 3.641 3.960 0.022 -0.129 0.287 211 G C -0.983 173.954 174.900 0.062 0.000 1.055 211 G CA 0.562 45.731 45.100 0.116 0.000 0.922 211 G HN 0.807 9.280 8.290 0.305 0.000 0.503 212 A N -2.370 120.486 122.820 0.061 0.000 2.379 212 A HA 0.140 4.514 4.320 0.090 0.000 0.236 212 A C -0.766 176.866 177.584 0.081 0.000 1.272 212 A CA -0.683 51.393 52.037 0.066 0.000 0.886 212 A CB 0.709 19.726 19.000 0.029 0.000 0.962 212 A HN -0.656 7.525 8.150 0.052 0.000 0.504 213 S N -2.195 113.545 115.700 0.066 0.000 2.568 213 S HA -0.222 4.386 4.470 0.097 -0.080 0.282 213 S C 0.044 174.689 174.600 0.074 0.000 1.338 213 S CA 0.598 58.841 58.200 0.072 0.000 1.045 213 S CB 0.923 64.144 63.200 0.036 0.000 0.873 213 S HN -0.658 7.637 8.310 0.057 0.049 0.516 214 A N 3.839 126.716 122.820 0.094 0.000 2.197 214 A HA 0.381 4.972 4.320 0.031 -0.252 0.210 214 A C -0.142 177.403 177.584 -0.065 0.000 1.180 214 A CA -0.702 51.359 52.037 0.039 0.000 0.846 214 A CB 1.518 20.605 19.000 0.146 0.000 0.884 214 A HN 0.398 9.055 8.150 0.124 -0.433 0.487 215 I N -2.472 118.077 120.570 -0.034 0.000 6.399 215 I HA -0.438 3.779 4.170 -0.047 -0.076 0.126 215 I C -2.963 173.099 176.117 -0.092 0.000 1.513 215 I CA -0.333 60.925 61.300 -0.070 0.000 2.479 215 I CB -2.221 35.708 38.000 -0.119 0.000 2.875 215 I HN -0.280 8.350 8.210 -0.002 -0.421 0.285 216 P HA 0.092 4.378 4.420 -0.222 0.000 0.269 216 P C -0.168 177.114 177.300 -0.029 0.000 1.215 216 P CA -0.491 62.581 63.100 -0.046 0.000 0.780 216 P CB 0.720 32.533 31.700 0.190 0.000 0.898 217 D N 1.551 121.925 120.400 -0.043 0.000 2.104 217 D HA -0.388 4.235 4.640 -0.029 0.000 0.194 217 D C 1.639 177.954 176.300 0.024 0.000 0.994 217 D CA 4.307 58.297 54.000 -0.016 0.000 0.830 217 D CB -0.324 40.467 40.800 -0.014 0.000 0.959 217 D HN 0.445 8.771 8.370 -0.073 0.000 0.452 218 N N -0.735 117.994 118.700 0.050 0.000 2.188 218 N HA -0.244 4.523 4.740 0.046 0.000 0.184 218 N C 2.129 177.676 175.510 0.062 0.000 1.018 218 N CA 2.952 56.035 53.050 0.055 0.000 0.858 218 N CB -1.047 37.478 38.487 0.063 0.000 0.989 218 N HN 0.468 8.887 8.380 0.065 0.000 0.426 219 V N 2.086 122.040 119.914 0.067 0.000 2.379 219 V HA -0.487 3.684 4.120 0.086 0.000 0.245 219 V C 1.706 177.850 176.094 0.083 0.000 1.044 219 V CA 3.850 66.195 62.300 0.075 0.000 1.036 219 V CB -0.198 31.664 31.823 0.066 0.000 0.664 219 V HN -0.953 7.278 8.190 0.069 0.000 0.453 220 R N -0.509 120.021 120.500 0.050 0.000 2.083 220 R HA -0.424 3.956 4.340 0.067 0.000 0.237 220 R C 1.697 178.057 176.300 0.100 0.000 1.137 220 R CA 3.863 59.999 56.100 0.060 0.000 0.951 220 R CB -0.248 30.060 30.300 0.014 0.000 0.851 220 R HN -0.051 8.236 8.270 0.029 0.000 0.434 221 K N -1.216 119.226 120.400 0.069 0.000 2.057 221 K HA -0.293 4.062 4.320 0.057 0.000 0.207 221 K C 2.037 178.680 176.600 0.071 0.000 1.049 221 K CA 3.430 59.754 56.287 0.061 0.000 0.931 221 K CB -0.274 32.251 32.500 0.041 0.000 0.714 221 K HN -0.178 8.105 8.250 0.055 0.000 0.440 222 S N 0.002 115.753 115.700 0.084 0.000 2.368 222 S HA -0.330 4.171 4.470 0.053 0.000 0.225 222 S C 1.941 176.605 174.600 0.107 0.000 1.030 222 S CA 3.587 61.837 58.200 0.082 0.000 0.999 222 S CB 0.086 63.339 63.200 0.089 0.000 0.844 222 S HN -0.405 7.956 8.310 0.085 0.000 0.459 223 Y N 2.745 123.063 120.300 0.029 0.000 2.200 223 Y HA -0.364 4.211 4.550 0.043 0.000 0.290 223 Y C 1.602 177.522 175.900 0.033 0.000 1.137 223 Y CA 3.837 61.959 58.100 0.036 0.000 1.163 223 Y CB 0.201 38.683 38.460 0.037 0.000 0.988 223 Y HN -0.524 7.917 8.280 0.269 0.000 0.518 224 L N -1.146 120.152 121.223 0.125 0.000 2.056 224 L HA -0.344 4.178 4.340 0.043 -0.157 0.207 224 L C 2.859 179.722 176.870 -0.012 0.000 1.078 224 L CA 2.704 57.575 54.840 0.052 0.000 0.749 224 L CB -0.520 41.586 42.059 0.079 0.000 0.901 224 L HN -0.047 8.289 8.230 0.177 0.000 0.433 225 D N 0.023 120.422 120.400 -0.001 0.000 2.182 225 D HA -0.236 4.399 4.640 -0.009 0.000 0.201 225 D C 1.094 177.368 176.300 -0.043 0.000 0.986 225 D CA 2.691 56.683 54.000 -0.014 0.000 0.847 225 D CB -0.460 40.339 40.800 -0.001 0.000 0.942 225 D HN 0.047 8.430 8.370 0.021 0.000 0.467 226 A N -3.464 119.307 122.820 -0.082 0.000 2.302 226 A HA -0.021 4.257 4.320 -0.070 0.000 0.219 226 A C -0.245 177.253 177.584 -0.143 0.000 1.243 226 A CA -0.329 51.643 52.037 -0.107 0.000 0.856 226 A CB -0.108 18.818 19.000 -0.124 0.000 0.893 226 A HN -0.643 7.434 8.150 -0.091 0.018 0.491 227 G N -3.159 105.564 108.800 -0.129 0.000 2.157 227 G HA2 -0.298 3.623 3.960 -0.065 0.000 0.248 227 G HA3 -0.298 3.611 3.960 -0.086 0.000 0.248 227 G C 0.374 175.181 174.900 -0.155 0.000 0.979 227 G CA -0.303 44.733 45.100 -0.105 0.000 0.650 227 G HN -0.476 7.563 8.290 -0.106 0.187 0.529 228 G N 0.748 109.342 108.800 -0.344 0.000 2.606 228 G HA2 -0.101 3.666 3.960 -0.321 0.000 0.252 228 G HA3 -0.101 3.201 3.960 -1.182 -0.051 0.252 228 G C -2.032 172.886 174.900 0.031 0.000 1.206 228 G CA -0.704 44.130 45.100 -0.443 0.000 0.861 228 G HN -0.407 7.584 8.290 -0.425 0.044 0.561 229 D N -1.094 119.466 120.400 0.266 0.000 2.425 229 D HA 0.210 4.961 4.640 0.186 0.000 0.240 229 D C -0.675 175.814 176.300 0.315 0.000 1.080 229 D CA -0.750 53.398 54.000 0.245 0.000 0.836 229 D CB 0.752 41.654 40.800 0.171 0.000 1.125 229 D HN 0.125 8.712 8.370 0.361 0.000 0.525 230 L N 4.417 125.783 121.223 0.240 0.000 3.289 230 L HA 0.170 4.611 4.340 0.169 0.000 0.291 230 L C -1.001 175.973 176.870 0.174 0.000 1.279 230 L CA -1.157 53.780 54.840 0.161 0.000 1.025 230 L CB 0.751 42.847 42.059 0.061 0.000 1.413 230 L HN 0.326 8.681 8.230 0.209 0.000 0.593 231 K N 0.982 121.501 120.400 0.199 0.000 2.491 231 K HA -0.345 4.055 4.320 0.132 0.000 0.279 231 K C 0.805 177.565 176.600 0.267 0.000 1.026 231 K CA 2.285 58.677 56.287 0.174 0.000 1.070 231 K CB 0.107 32.683 32.500 0.127 0.000 0.887 231 K HN -0.581 8.075 8.250 0.192 -0.291 0.481 232 G N 4.645 113.565 108.800 0.200 0.000 2.199 232 G HA2 -0.304 3.755 3.960 0.166 0.000 0.254 232 G HA3 -0.304 3.827 3.960 0.285 0.000 0.254 232 G C -0.717 174.348 174.900 0.274 0.000 0.982 232 G CA -0.190 45.056 45.100 0.243 0.000 0.632 232 G HN 0.418 8.792 8.290 0.140 0.000 0.529 233 S N 1.187 116.944 115.700 0.096 0.000 2.564 233 S HA -0.105 4.170 4.470 -0.489 -0.099 0.278 233 S C -0.663 173.863 174.600 -0.124 0.000 1.333 233 S CA -0.177 57.849 58.200 -0.290 0.000 1.048 233 S CB 1.367 64.245 63.200 -0.538 0.000 0.900 233 S HN -0.496 7.817 8.310 0.095 0.055 0.505 234 K N 3.873 124.201 120.400 -0.119 0.000 2.565 234 K HA 0.301 4.602 4.320 -0.031 0.000 0.251 234 K C -1.484 175.127 176.600 0.017 0.000 0.956 234 K CA -0.537 55.749 56.287 -0.001 0.000 0.809 234 K CB 3.674 36.255 32.500 0.134 0.000 1.267 234 K HN -0.037 8.102 8.250 -0.185 0.000 0.438 235 G N 2.864 111.671 108.800 0.012 0.000 2.613 235 G HA2 0.588 4.555 3.960 0.012 0.000 0.303 235 G HA3 0.588 4.559 3.960 -0.014 -0.019 0.303 235 G C -1.224 173.791 174.900 0.192 0.000 1.312 235 G CA -1.996 43.128 45.100 0.040 0.000 1.036 235 G HN -0.138 8.135 8.290 -0.029 0.000 0.513 236 V N 1.436 121.470 119.914 0.200 0.000 2.508 236 V HA 0.045 4.375 4.120 0.350 0.000 0.281 236 V C -1.312 174.788 176.094 0.010 0.000 1.041 236 V CA -1.919 60.522 62.300 0.235 0.000 1.016 236 V CB 0.243 32.235 31.823 0.280 0.000 0.984 236 V HN -0.009 8.270 8.190 0.147 0.000 0.478 237 P HA -0.016 4.186 4.420 -0.363 0.000 0.266 237 P C 0.066 177.369 177.300 0.005 0.000 1.195 237 P CA 0.185 63.105 63.100 -0.300 0.000 0.768 237 P CB 0.618 31.932 31.700 -0.643 0.000 0.838 238 F N 3.218 123.167 119.950 -0.002 0.000 2.091 238 F HA -0.460 4.104 4.527 0.061 0.000 0.299 238 F C 1.884 177.739 175.800 0.092 0.000 1.103 238 F CA 3.605 61.633 58.000 0.047 0.000 1.228 238 F CB -0.748 38.268 39.000 0.026 0.000 0.984 238 F HN 0.444 8.578 8.300 -0.277 0.000 0.477 239 E N -1.537 118.836 120.200 0.289 0.000 2.153 239 E HA -0.218 4.470 4.350 0.204 -0.215 0.194 239 E C 2.627 179.453 176.600 0.377 0.000 0.988 239 E CA 3.274 59.833 56.400 0.265 0.000 0.811 239 E CB -0.766 29.071 29.700 0.229 0.000 0.746 239 E HN 0.458 8.951 8.360 0.221 0.000 0.466 240 F N -0.826 119.196 119.950 0.119 0.000 2.259 240 F HA -0.133 4.495 4.527 0.168 0.000 0.298 240 F C 1.862 177.796 175.800 0.223 0.000 1.088 240 F CA 1.085 59.210 58.000 0.208 0.000 1.358 240 F CB -0.397 38.770 39.000 0.280 0.000 1.040 240 F HN -0.598 7.900 8.300 0.524 0.116 0.505 241 L N -0.749 120.704 121.223 0.384 0.000 2.046 241 L HA -0.525 3.973 4.340 0.264 0.000 0.208 241 L C 2.151 179.124 176.870 0.172 0.000 1.077 241 L CA 3.622 58.618 54.840 0.261 0.000 0.747 241 L CB -0.838 41.362 42.059 0.235 0.000 0.896 241 L HN -0.435 7.944 8.230 0.384 0.081 0.432 242 Q N -1.807 118.079 119.800 0.144 0.000 2.084 242 Q HA -0.423 3.950 4.340 0.055 0.000 0.202 242 Q C 2.769 178.771 176.000 0.003 0.000 0.978 242 Q CA 3.455 59.297 55.803 0.064 0.000 0.844 242 Q CB -0.229 28.541 28.738 0.053 0.000 0.898 242 Q HN -0.224 8.154 8.270 0.180 0.000 0.426 243 E N -0.811 119.352 120.200 -0.061 0.000 2.110 243 E HA -0.253 3.938 4.350 -0.266 0.000 0.193 243 E C 2.727 179.226 176.600 -0.168 0.000 0.988 243 E CA 2.556 58.779 56.400 -0.294 0.000 0.804 243 E CB -0.476 28.725 29.700 -0.831 0.000 0.745 243 E HN -0.458 7.892 8.360 -0.016 0.000 0.458 244 S N 0.599 116.359 115.700 0.099 0.000 2.368 244 S HA -0.245 4.439 4.470 0.357 0.000 0.225 244 S C 2.476 177.136 174.600 0.100 0.000 1.030 244 S CA 3.589 61.930 58.200 0.236 0.000 0.999 244 S CB -0.503 62.854 63.200 0.261 0.000 0.844 244 S HN -0.185 8.134 8.310 0.157 0.086 0.459 245 V N 2.195 122.144 119.914 0.058 0.000 2.343 245 V HA -0.408 3.925 4.120 0.023 -0.200 0.247 245 V C 2.753 178.851 176.094 0.007 0.000 1.051 245 V CA 3.827 66.144 62.300 0.028 0.000 1.036 245 V CB -0.296 31.546 31.823 0.033 0.000 0.654 245 V HN -0.471 7.758 8.190 0.065 0.000 0.451 246 K N -1.218 119.174 120.400 -0.014 0.000 2.147 246 K HA -0.253 4.053 4.320 -0.025 0.000 0.205 246 K C 1.925 178.511 176.600 -0.024 0.000 1.049 246 K CA 2.576 58.843 56.287 -0.033 0.000 0.936 246 K CB -0.295 32.165 32.500 -0.067 0.000 0.722 246 K HN -0.459 7.777 8.250 -0.023 0.000 0.446 247 G N -5.229 103.569 108.800 -0.003 0.000 2.813 247 G HA2 0.071 4.041 3.960 0.016 0.000 0.209 247 G HA3 0.071 4.074 3.960 0.072 0.000 0.209 247 G C -0.653 174.274 174.900 0.045 0.000 1.150 247 G CA -0.257 44.863 45.100 0.034 0.000 0.785 247 G HN -0.429 7.748 8.290 0.001 0.113 0.535 248 G N -2.243 106.577 108.800 0.034 0.000 2.183 248 G HA2 -0.231 3.746 3.960 0.027 0.000 0.168 248 G HA3 -0.231 3.762 3.960 0.055 0.000 0.168 248 G C -0.654 174.267 174.900 0.035 0.000 1.008 248 G CA -0.578 44.546 45.100 0.039 0.000 0.677 248 G HN -0.597 7.543 8.290 0.025 0.165 0.498 249 I N 1.954 122.541 120.570 0.027 0.000 2.598 249 I HA -0.320 3.961 4.170 -0.009 -0.116 0.284 249 I C -0.918 175.169 176.117 -0.050 0.000 1.140 249 I CA -0.229 61.069 61.300 -0.003 0.000 1.420 249 I CB -1.857 36.154 38.000 0.018 0.000 1.387 249 I HN -0.371 7.865 8.210 0.043 0.000 0.553 250 N N 6.343 124.977 118.700 -0.109 0.000 2.193 250 N HA 0.260 5.053 4.740 -0.157 -0.147 0.210 250 N C -0.917 174.427 175.510 -0.277 0.000 1.215 250 N CA 0.329 53.271 53.050 -0.180 0.000 0.901 250 N CB 3.266 41.639 38.487 -0.191 0.000 1.060 250 N HN 0.695 9.004 8.380 -0.117 0.000 0.508 251 K N 1.301 121.511 120.400 -0.318 0.000 2.471 251 K HA 0.654 4.874 4.320 -0.499 -0.199 0.252 251 K C -2.635 173.761 176.600 -0.340 0.000 0.938 251 K CA -1.119 54.886 56.287 -0.470 0.000 0.796 251 K CB 3.514 35.577 32.500 -0.728 0.000 1.161 251 K HN -0.634 7.462 8.250 -0.256 0.000 0.425 252 V N 7.445 127.156 119.914 -0.338 0.000 2.325 252 V HA 0.309 4.314 4.120 -0.191 0.000 0.280 252 V C -1.467 174.433 176.094 -0.325 0.000 1.016 252 V CA -1.506 60.646 62.300 -0.247 0.000 0.818 252 V CB 1.298 33.025 31.823 -0.159 0.000 1.019 252 V HN 0.225 8.182 8.190 -0.388 0.000 0.434 253 N N 9.013 127.532 118.700 -0.301 0.000 2.475 253 N HA 0.155 4.859 4.740 -0.339 -0.167 0.267 253 N C -0.997 174.411 175.510 -0.169 0.000 1.169 253 N CA 0.550 53.424 53.050 -0.294 0.000 0.947 253 N CB 0.751 39.017 38.487 -0.369 0.000 1.061 253 N HN 0.217 8.429 8.380 -0.281 0.000 0.466 254 T N 5.181 119.635 114.554 -0.166 0.000 3.031 254 T HA 0.293 4.650 4.350 0.011 0.000 0.305 254 T C -2.236 172.514 174.700 0.082 0.000 0.985 254 T CA 0.171 62.257 62.100 -0.025 0.000 1.008 254 T CB 2.341 71.204 68.868 -0.009 0.000 1.005 254 T HN 0.169 8.280 8.240 -0.215 0.000 0.444 255 D N 5.920 126.367 120.400 0.079 0.000 2.829 255 D HA 0.289 4.994 4.640 0.108 0.000 0.250 255 D C 0.807 177.135 176.300 0.047 0.000 1.304 255 D CA 1.501 55.545 54.000 0.074 0.000 1.197 255 D CB 1.176 41.998 40.800 0.037 0.000 1.501 255 D HN -0.221 8.187 8.370 0.064 0.000 0.424 256 T N 3.393 117.961 114.554 0.023 0.000 2.665 256 T HA -0.439 3.896 4.350 -0.025 0.000 0.268 256 T C 1.753 176.448 174.700 -0.008 0.000 1.035 256 T CA 5.232 67.324 62.100 -0.012 0.000 1.151 256 T CB -0.231 68.615 68.868 -0.037 0.000 0.862 256 T HN -0.143 8.113 8.240 0.026 0.000 0.438 257 D N 0.894 121.312 120.400 0.030 0.000 2.123 257 D HA -0.218 4.432 4.640 0.016 0.000 0.196 257 D C 2.198 178.537 176.300 0.065 0.000 0.992 257 D CA 3.330 57.358 54.000 0.048 0.000 0.833 257 D CB -0.445 40.415 40.800 0.100 0.000 0.954 257 D HN -0.549 7.849 8.370 0.047 0.000 0.455 258 L N -1.246 120.028 121.223 0.085 0.000 2.046 258 L HA -0.315 4.081 4.340 0.093 0.000 0.208 258 L C 1.881 178.804 176.870 0.088 0.000 1.077 258 L CA 3.281 58.173 54.840 0.087 0.000 0.747 258 L CB -0.432 41.680 42.059 0.089 0.000 0.896 258 L HN -0.597 7.685 8.230 0.097 0.006 0.432 259 R N -1.163 119.361 120.500 0.041 0.000 2.073 259 R HA -0.345 4.013 4.340 0.030 0.000 0.234 259 R C 2.710 179.067 176.300 0.094 0.000 1.134 259 R CA 3.580 59.703 56.100 0.038 0.000 0.952 259 R CB -0.213 30.077 30.300 -0.017 0.000 0.850 259 R HN -0.677 7.607 8.270 0.024 0.000 0.433 260 I N -0.837 119.736 120.570 0.006 0.000 2.226 260 I HA -0.492 3.591 4.170 -0.145 0.000 0.245 260 I C 1.669 177.862 176.117 0.126 0.000 1.100 260 I CA 3.746 65.008 61.300 -0.064 0.000 1.374 260 I CB -0.358 37.516 38.000 -0.210 0.000 1.057 260 I HN -0.220 7.976 8.210 -0.022 0.000 0.413 261 A N -0.324 122.576 122.820 0.134 0.000 1.902 261 A HA -0.310 4.097 4.320 0.147 0.000 0.217 261 A C 1.714 179.422 177.584 0.206 0.000 1.181 261 A CA 3.000 55.132 52.037 0.158 0.000 0.623 261 A CB -0.798 18.277 19.000 0.125 0.000 0.818 261 A HN -0.537 7.676 8.150 0.106 0.000 0.443 262 F N -0.034 119.969 119.950 0.089 0.000 2.084 262 F HA -0.280 4.309 4.527 0.103 0.000 0.296 262 F C 1.452 177.348 175.800 0.159 0.000 1.111 262 F CA 3.292 61.354 58.000 0.104 0.000 1.224 262 F CB 1.032 40.069 39.000 0.062 0.000 0.991 262 F HN -0.805 7.717 8.300 0.370 0.000 0.471 263 I N -2.106 118.737 120.570 0.455 0.000 2.493 263 I HA -0.477 3.935 4.170 0.404 0.000 0.254 263 I C 1.841 178.139 176.117 0.302 0.000 1.160 263 I CA 1.397 62.936 61.300 0.399 0.000 1.445 263 I CB -1.593 36.656 38.000 0.415 0.000 1.086 263 I HN -0.060 8.422 8.210 0.453 0.000 0.433 264 A N -0.070 122.952 122.820 0.337 0.000 1.908 264 A HA -0.397 4.003 4.320 0.133 0.000 0.218 264 A C 1.937 179.571 177.584 0.084 0.000 1.181 264 A CA 3.783 55.949 52.037 0.216 0.000 0.627 264 A CB -0.835 18.322 19.000 0.261 0.000 0.818 264 A HN 0.037 8.414 8.150 0.377 0.000 0.445 265 E N -2.051 118.183 120.200 0.057 0.000 2.107 265 E HA -0.212 4.135 4.350 -0.006 0.000 0.191 265 E C 2.501 179.114 176.600 0.022 0.000 0.982 265 E CA 2.242 58.639 56.400 -0.006 0.000 0.809 265 E CB -0.392 29.265 29.700 -0.071 0.000 0.756 265 E HN -0.634 7.757 8.360 0.061 0.005 0.459 266 V N 0.773 120.738 119.914 0.084 0.000 2.287 266 V HA -0.548 3.785 4.120 0.356 0.000 0.248 266 V C 2.011 178.253 176.094 0.246 0.000 1.053 266 V CA 4.708 67.164 62.300 0.260 0.000 1.027 266 V CB -0.330 31.690 31.823 0.330 0.000 0.646 266 V HN -0.603 7.621 8.190 0.057 0.000 0.447 267 R N -1.920 118.665 120.500 0.142 0.000 2.081 267 R HA -0.385 4.020 4.340 0.109 0.000 0.235 267 R C 2.118 178.443 176.300 0.043 0.000 1.131 267 R CA 3.907 60.053 56.100 0.076 0.000 0.960 267 R CB -0.362 29.919 30.300 -0.031 0.000 0.856 267 R HN -0.004 8.343 8.270 0.128 0.000 0.436 268 K N -0.082 120.324 120.400 0.010 0.000 2.025 268 K HA -0.269 4.034 4.320 -0.028 0.000 0.207 268 K C 2.167 178.735 176.600 -0.053 0.000 1.049 268 K CA 3.256 59.528 56.287 -0.026 0.000 0.933 268 K CB -0.166 32.313 32.500 -0.035 0.000 0.714 268 K HN -0.641 7.618 8.250 0.015 0.000 0.438 269 V N -0.735 119.122 119.914 -0.095 0.000 2.332 269 V HA -0.522 3.443 4.120 -0.258 0.000 0.248 269 V C 1.634 177.601 176.094 -0.212 0.000 1.055 269 V CA 3.940 66.075 62.300 -0.275 0.000 1.038 269 V CB -0.075 31.384 31.823 -0.606 0.000 0.651 269 V HN -0.424 7.726 8.190 -0.066 0.000 0.450 270 A N -1.854 121.006 122.820 0.067 0.000 1.933 270 A HA -0.314 4.187 4.320 0.302 0.000 0.218 270 A C 2.367 180.001 177.584 0.083 0.000 1.175 270 A CA 3.011 55.184 52.037 0.228 0.000 0.628 270 A CB -0.509 18.683 19.000 0.321 0.000 0.814 270 A HN -0.296 7.955 8.150 0.168 0.000 0.444 271 N N -2.457 116.264 118.700 0.035 0.000 2.188 271 N HA -0.229 4.524 4.740 0.021 0.000 0.184 271 N C 1.672 177.176 175.510 -0.010 0.000 1.018 271 N CA 2.361 55.417 53.050 0.010 0.000 0.858 271 N CB -0.109 38.374 38.487 -0.007 0.000 0.989 271 N HN -0.190 8.120 8.380 0.030 0.088 0.426 272 E N -3.484 116.693 120.200 -0.038 0.000 2.474 272 E HA 0.055 4.384 4.350 -0.035 0.000 0.195 272 E C -0.705 175.860 176.600 -0.058 0.000 1.039 272 E CA 0.591 56.961 56.400 -0.049 0.000 0.881 272 E CB 1.081 30.742 29.700 -0.065 0.000 0.970 272 E HN -0.553 7.774 8.360 -0.054 0.000 0.486 273 D N -0.549 119.815 120.400 -0.061 0.000 2.319 273 D HA 0.114 4.730 4.640 -0.041 0.000 0.237 273 D C -0.339 175.956 176.300 -0.007 0.000 1.353 273 D CA -0.707 53.260 54.000 -0.056 0.000 0.992 273 D CB 0.618 41.352 40.800 -0.112 0.000 1.368 273 D HN -0.711 7.625 8.370 -0.057 0.000 0.564 274 K N 4.038 124.452 120.400 0.024 0.000 2.365 274 K HA -0.083 4.288 4.320 0.085 0.000 0.199 274 K C 0.873 177.537 176.600 0.107 0.000 1.045 274 K CA 1.412 57.740 56.287 0.067 0.000 0.962 274 K CB -0.551 31.981 32.500 0.054 0.000 0.759 274 K HN 0.464 8.722 8.250 0.014 0.000 0.469 275 S N -2.145 113.603 115.700 0.080 0.000 2.575 275 S HA 0.015 4.606 4.470 0.201 0.000 0.215 275 S C -0.035 174.621 174.600 0.093 0.000 0.966 275 S CA -0.201 58.073 58.200 0.123 0.000 0.911 275 S CB 0.109 63.344 63.200 0.059 0.000 0.780 275 S HN -0.553 7.944 8.310 0.039 -0.164 0.514 276 Q N 3.211 123.045 119.800 0.057 0.000 2.295 276 Q HA 0.001 4.215 4.340 -0.210 0.000 0.259 276 Q C -0.725 175.417 176.000 0.237 0.000 0.976 276 Q CA 0.038 55.814 55.803 -0.046 0.000 0.923 276 Q CB 0.308 28.932 28.738 -0.190 0.000 1.185 276 Q HN -0.799 7.451 8.270 0.069 0.061 0.410 277 F N 0.792 120.838 119.950 0.159 0.000 2.901 277 F HA 0.305 5.033 4.527 0.334 0.000 0.329 277 F C -1.363 174.517 175.800 0.135 0.000 1.185 277 F CA -2.019 56.097 58.000 0.194 0.000 1.114 277 F CB 0.868 39.924 39.000 0.092 0.000 1.199 277 F HN -0.024 7.935 8.300 -0.569 0.000 0.513 278 D N 3.422 123.826 120.400 0.008 0.000 2.358 278 D HA -0.034 4.641 4.640 0.058 0.000 0.258 278 D C 0.867 177.233 176.300 0.109 0.000 1.223 278 D CA -0.066 53.949 54.000 0.026 0.000 0.886 278 D CB 0.946 41.698 40.800 -0.080 0.000 1.120 278 D HN -0.542 8.006 8.370 -0.144 -0.265 0.482 279 L N 5.860 127.127 121.223 0.074 0.000 2.079 279 L HA -0.390 3.824 4.340 -0.211 0.000 0.210 279 L C 1.526 178.319 176.870 -0.128 0.000 1.081 279 L CA 3.062 57.851 54.840 -0.086 0.000 0.752 279 L CB 0.079 42.162 42.059 0.039 0.000 0.896 279 L HN 0.536 8.820 8.230 0.090 0.000 0.433 280 R N -2.745 117.773 120.500 0.030 0.000 2.152 280 R HA -0.392 4.039 4.340 0.151 0.000 0.232 280 R C 2.326 178.627 176.300 0.002 0.000 1.117 280 R CA 3.462 59.605 56.100 0.071 0.000 0.981 280 R CB -0.469 29.878 30.300 0.078 0.000 0.870 280 R HN -0.392 8.124 8.270 0.052 -0.215 0.451 281 K N -1.732 118.629 120.400 -0.065 0.000 2.217 281 K HA -0.183 4.058 4.320 -0.132 0.000 0.202 281 K C 1.421 177.855 176.600 -0.277 0.000 1.051 281 K CA 1.695 57.879 56.287 -0.172 0.000 0.952 281 K CB -0.658 31.691 32.500 -0.252 0.000 0.736 281 K HN -0.611 7.490 8.250 -0.048 0.119 0.453 282 F N -2.416 117.351 119.950 -0.305 0.000 2.219 282 F HA -0.216 4.181 4.527 -0.217 0.000 0.294 282 F C 1.618 177.302 175.800 -0.193 0.000 1.086 282 F CA 3.828 61.615 58.000 -0.356 0.000 1.330 282 F CB 0.614 39.204 39.000 -0.683 0.000 1.047 282 F HN -0.710 7.451 8.300 -0.043 0.113 0.495 283 F N -4.045 115.998 119.950 0.154 0.000 2.698 283 F HA 0.041 4.489 4.527 -0.131 0.000 0.295 283 F C 1.725 177.530 175.800 0.008 0.000 1.124 283 F CA -1.009 57.019 58.000 0.046 0.000 1.426 283 F CB -0.855 38.279 39.000 0.224 0.000 1.120 283 F HN -0.235 8.016 8.300 -0.082 0.000 0.583 284 S N 1.067 116.867 115.700 0.166 0.000 2.345 284 S HA -0.014 4.537 4.470 0.135 0.000 0.220 284 S C -0.841 173.778 174.600 0.032 0.000 1.031 284 S CA 5.156 63.417 58.200 0.101 0.000 0.996 284 S CB -2.752 60.489 63.200 0.068 0.000 0.882 284 S HN -0.227 8.159 8.310 0.127 0.000 0.445 285 P HA -0.120 4.282 4.420 -0.030 0.000 0.217 285 P C 0.671 177.924 177.300 -0.078 0.000 1.150 285 P CA 2.359 65.433 63.100 -0.044 0.000 0.832 285 P CB -0.669 30.990 31.700 -0.069 0.000 0.787 286 A N -2.674 120.044 122.820 -0.171 0.000 1.902 286 A HA -0.321 3.798 4.320 -0.335 0.000 0.217 286 A C 2.154 179.612 177.584 -0.210 0.000 1.181 286 A CA 3.072 54.843 52.037 -0.443 0.000 0.623 286 A CB -0.788 17.450 19.000 -1.269 0.000 0.818 286 A HN -0.634 7.431 8.150 -0.141 0.000 0.443 287 Q N -1.285 118.499 119.800 -0.026 0.000 2.084 287 Q HA -0.354 4.124 4.340 0.229 0.000 0.202 287 Q C 2.472 178.508 176.000 0.060 0.000 0.978 287 Q CA 3.090 58.965 55.803 0.120 0.000 0.844 287 Q CB -0.057 28.751 28.738 0.117 0.000 0.898 287 Q HN -0.346 7.914 8.270 -0.015 0.000 0.426 288 L N -0.439 120.800 121.223 0.026 0.000 2.042 288 L HA -0.336 4.012 4.340 0.013 0.000 0.210 288 L C 1.040 177.918 176.870 0.013 0.000 1.076 288 L CA 2.994 57.842 54.840 0.014 0.000 0.749 288 L CB -0.581 41.481 42.059 0.006 0.000 0.893 288 L HN -0.400 7.841 8.230 0.018 0.000 0.432 289 A N -1.468 121.362 122.820 0.015 0.000 1.898 289 A HA -0.341 3.993 4.320 0.023 0.000 0.216 289 A C 1.820 179.434 177.584 0.049 0.000 1.181 289 A CA 3.160 55.215 52.037 0.030 0.000 0.620 289 A CB -0.747 18.272 19.000 0.033 0.000 0.819 289 A HN -0.377 7.775 8.150 0.002 0.000 0.442 290 L N -1.092 120.183 121.223 0.087 0.000 2.017 290 L HA -0.441 3.952 4.340 0.089 0.000 0.208 290 L C 1.486 178.351 176.870 -0.009 0.000 1.073 290 L CA 3.034 57.927 54.840 0.088 0.000 0.745 290 L CB -0.162 42.011 42.059 0.190 0.000 0.894 290 L HN -0.440 7.854 8.230 0.106 0.000 0.432 291 K N -1.035 119.354 120.400 -0.018 0.000 2.074 291 K HA -0.455 3.792 4.320 -0.123 0.000 0.209 291 K C 2.155 178.706 176.600 -0.081 0.000 1.048 291 K CA 3.442 59.684 56.287 -0.075 0.000 0.926 291 K CB -0.319 32.152 32.500 -0.048 0.000 0.713 291 K HN 0.162 8.419 8.250 0.012 0.000 0.444 292 N N -1.300 117.377 118.700 -0.039 0.000 2.188 292 N HA -0.226 4.487 4.740 -0.045 0.000 0.184 292 N C 2.250 177.739 175.510 -0.034 0.000 1.018 292 N CA 2.846 55.876 53.050 -0.033 0.000 0.858 292 N CB -0.301 38.181 38.487 -0.009 0.000 0.989 292 N HN -0.489 7.879 8.380 -0.019 0.000 0.426 293 V N 0.985 120.889 119.914 -0.017 0.000 2.332 293 V HA -0.499 3.638 4.120 0.027 0.000 0.248 293 V C 1.548 177.616 176.094 -0.043 0.000 1.055 293 V CA 4.574 66.876 62.300 0.004 0.000 1.038 293 V CB -0.058 31.790 31.823 0.041 0.000 0.651 293 V HN -0.507 7.679 8.190 -0.007 0.000 0.450 294 V N -0.076 119.745 119.914 -0.155 0.000 2.358 294 V HA -0.588 3.343 4.120 -0.315 0.000 0.246 294 V C 1.621 177.594 176.094 -0.202 0.000 1.047 294 V CA 4.665 66.761 62.300 -0.339 0.000 1.035 294 V CB -0.405 31.006 31.823 -0.686 0.000 0.658 294 V HN -0.528 7.564 8.190 -0.163 0.000 0.452 295 K N -0.206 120.100 120.400 -0.156 0.000 2.032 295 K HA -0.350 3.900 4.320 -0.117 0.000 0.209 295 K C 2.608 179.159 176.600 -0.081 0.000 1.048 295 K CA 3.701 59.923 56.287 -0.109 0.000 0.927 295 K CB -0.289 32.158 32.500 -0.089 0.000 0.712 295 K HN -0.159 8.000 8.250 -0.153 0.000 0.441 296 E N -1.822 118.333 120.200 -0.076 0.000 2.110 296 E HA -0.272 4.017 4.350 -0.102 0.000 0.193 296 E C 2.688 179.219 176.600 -0.115 0.000 0.988 296 E CA 2.524 58.864 56.400 -0.099 0.000 0.804 296 E CB -0.423 29.217 29.700 -0.100 0.000 0.745 296 E HN -0.508 7.810 8.360 -0.069 0.000 0.458 297 R N 0.011 120.483 120.500 -0.048 0.000 2.092 297 R HA -0.197 4.109 4.340 -0.056 0.000 0.231 297 R C 2.467 178.792 176.300 0.042 0.000 1.119 297 R CA 2.134 58.244 56.100 0.018 0.000 0.970 297 R CB -0.546 29.865 30.300 0.186 0.000 0.864 297 R HN -0.449 7.805 8.270 -0.027 0.000 0.440 298 M N -0.931 118.698 119.600 0.048 0.000 2.108 298 M HA -0.377 4.151 4.480 0.081 0.000 0.261 298 M C 2.694 178.978 176.300 -0.027 0.000 1.066 298 M CA 4.141 59.461 55.300 0.033 0.000 1.107 298 M CB -0.097 32.504 32.600 0.001 0.000 1.356 298 M HN -0.019 8.287 8.290 0.027 0.000 0.406 299 K N -1.429 118.936 120.400 -0.058 0.000 2.057 299 K HA -0.348 3.928 4.320 -0.074 0.000 0.206 299 K C 2.581 179.133 176.600 -0.079 0.000 1.050 299 K CA 2.974 59.216 56.287 -0.076 0.000 0.935 299 K CB -0.150 32.299 32.500 -0.085 0.000 0.715 299 K HN -0.697 7.514 8.250 -0.064 0.000 0.439 300 L N -0.748 120.412 121.223 -0.105 0.000 2.017 300 L HA -0.300 3.968 4.340 -0.119 0.000 0.208 300 L C 1.227 178.072 176.870 -0.042 0.000 1.073 300 L CA 2.848 57.619 54.840 -0.115 0.000 0.745 300 L CB 0.108 42.039 42.059 -0.213 0.000 0.894 300 L HN -0.589 7.568 8.230 -0.122 0.000 0.432 301 L N -6.617 114.599 121.223 -0.012 0.000 2.418 301 L HA -0.136 4.223 4.340 0.033 0.000 0.218 301 L C 0.559 177.461 176.870 0.053 0.000 1.125 301 L CA 0.744 55.601 54.840 0.029 0.000 0.835 301 L CB 0.355 42.438 42.059 0.041 0.000 0.953 301 L HN -0.361 7.862 8.230 -0.012 0.000 0.454 302 G N -3.830 104.973 108.800 0.004 0.000 2.159 302 G HA2 -0.459 3.460 3.960 -0.069 0.000 0.227 302 G HA3 -0.459 3.513 3.960 0.020 0.000 0.227 302 G C -0.126 174.651 174.900 -0.206 0.000 0.986 302 G CA 0.710 45.785 45.100 -0.040 0.000 0.651 302 G HN -0.299 7.950 8.290 -0.020 0.029 0.523 303 S N 0.514 116.135 115.700 -0.131 0.000 2.527 303 S HA -0.058 4.013 4.470 -0.664 0.000 0.222 303 S C 0.490 174.948 174.600 -0.236 0.000 0.985 303 S CA -0.162 57.882 58.200 -0.259 0.000 0.921 303 S CB 0.252 63.469 63.200 0.027 0.000 0.772 303 S HN -0.499 7.794 8.310 -0.028 0.000 0.529 304 A N 2.039 124.765 122.820 -0.156 0.000 2.540 304 A HA -0.333 4.043 4.320 -0.104 -0.118 0.239 304 A C -0.485 177.006 177.584 -0.156 0.000 1.061 304 A CA 1.095 53.057 52.037 -0.126 0.000 0.758 304 A CB -0.176 18.768 19.000 -0.093 0.000 0.991 304 A HN -0.828 7.221 8.150 -0.125 0.027 0.502 305 N N -0.389 118.242 118.700 -0.116 0.000 2.780 305 N HA -0.311 4.388 4.740 -0.068 0.000 0.248 305 N C -0.238 175.192 175.510 -0.133 0.000 1.102 305 N CA 1.823 54.813 53.050 -0.099 0.000 0.697 305 N CB -1.752 36.684 38.487 -0.085 0.000 1.028 305 N HN 0.164 8.398 8.380 -0.093 0.090 0.554 306 K N -4.793 115.508 120.400 -0.165 0.000 2.414 306 K HA 0.270 4.489 4.320 -0.169 0.000 0.204 306 K C -0.462 176.105 176.600 -0.054 0.000 1.026 306 K CA -1.865 54.312 56.287 -0.184 0.000 1.108 306 K CB 0.362 32.599 32.500 -0.439 0.000 0.855 306 K HN -0.375 7.783 8.250 -0.153 0.000 0.517 307 I N 0.000 120.556 120.570 -0.023 0.000 2.984 307 I HA 0.000 4.190 4.170 0.033 0.000 0.288 307 I CA 0.000 61.316 61.300 0.026 0.000 1.566 307 I CB 0.000 38.038 38.000 0.063 0.000 1.214 307 I HN 0.000 8.191 8.210 -0.031 0.000 0.494