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 1e9g_1_B DATA FIRST_RESID 1 DATA SEQUENCE TYTTRQIGAK NTLEYKVYIE KDGKPVSAFH DIPLYADKEN NIFNMVVEIP DATA SEQUENCE RWTNAKLEIT KEETLNPIIQ DTKKGKLRFV RNCFPHHGYI HNYGAFPQTW DATA SEQUENCE EDPNVSHPET KAVGDNDPID VLEIGETIAY TGQVKQVKAL GIMALLDEGE DATA SEQUENCE TDWKVIAIDI NDPLAPKLND IEDVEKYFPG LLRATNEWFR IYKIPDGKPE DATA SEQUENCE NQFAFSGEAK NKKYALDIIK ETHDSWKQLI AGKSSDSKGI DLTNVTLPDT DATA SEQUENCE PTYSKAASDA IPPASLKADA PIDKSIDKWF FIS 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 T HA 0.000 4.225 4.350 -0.208 0.000 0.228 1 T C 0.000 174.521 174.700 -0.298 0.000 1.109 1 T CA 0.000 61.970 62.100 -0.216 0.000 1.349 1 T CB 0.000 68.823 68.868 -0.075 0.000 0.612 2 Y N 3.636 123.960 120.300 0.040 0.000 2.342 2 Y HA 1.012 5.830 4.550 0.045 -0.241 0.334 2 Y C 0.831 176.774 175.900 0.072 0.000 1.067 2 Y CA -1.460 56.670 58.100 0.049 0.000 1.128 2 Y CB 1.860 40.344 38.460 0.039 0.000 1.200 2 Y HN 0.366 8.651 8.280 0.008 0.000 0.464 3 T N -0.916 113.782 114.554 0.240 0.000 2.831 3 T HA 0.361 4.832 4.350 0.201 0.000 0.287 3 T C -0.804 174.006 174.700 0.185 0.000 1.070 3 T CA -2.236 59.974 62.100 0.183 0.000 1.010 3 T CB 2.545 71.479 68.868 0.110 0.000 1.264 3 T HN 0.540 8.933 8.240 0.254 0.000 0.532 4 T N -1.995 112.654 114.554 0.159 0.000 2.912 4 T HA 0.736 5.352 4.350 0.148 -0.177 0.288 4 T C -0.501 174.268 174.700 0.115 0.000 1.030 4 T CA -2.004 60.184 62.100 0.146 0.000 1.020 4 T CB 2.341 71.311 68.868 0.170 0.000 1.056 4 T HN -0.059 8.265 8.240 0.139 0.000 0.480 5 R N 3.164 123.741 120.500 0.129 0.000 2.371 5 R HA 0.326 4.720 4.340 0.091 0.000 0.312 5 R C -1.902 174.479 176.300 0.136 0.000 0.980 5 R CA -1.074 55.098 56.100 0.120 0.000 0.867 5 R CB 2.231 32.597 30.300 0.109 0.000 1.163 5 R HN 0.607 8.965 8.270 0.148 0.000 0.492 6 Q N 7.661 127.523 119.800 0.104 0.000 2.257 6 Q HA 0.536 5.074 4.340 0.053 -0.167 0.255 6 Q C -1.471 174.595 176.000 0.110 0.000 0.920 6 Q CA -0.771 55.090 55.803 0.097 0.000 0.927 6 Q CB 2.305 31.125 28.738 0.137 0.000 1.229 6 Q HN 0.469 8.794 8.270 0.093 0.000 0.433 7 I N 5.784 126.417 120.570 0.104 0.000 2.339 7 I HA 0.417 4.652 4.170 0.108 0.000 0.290 7 I C 0.256 176.465 176.117 0.154 0.000 0.994 7 I CA -2.850 58.520 61.300 0.118 0.000 1.191 7 I CB -1.037 37.041 38.000 0.130 0.000 1.343 7 I HN 0.480 8.724 8.210 0.057 0.000 0.458 8 G N 7.156 116.043 108.800 0.144 0.000 2.645 8 G HA2 -0.355 3.702 3.960 0.162 0.000 0.239 8 G HA3 -0.355 3.673 3.960 0.113 0.000 0.239 8 G C -1.869 173.144 174.900 0.188 0.000 1.331 8 G CA -0.192 45.001 45.100 0.154 0.000 0.890 8 G HN -0.174 8.096 8.290 0.116 0.089 0.572 9 A N 0.562 123.464 122.820 0.136 0.000 2.301 9 A HA 0.297 4.814 4.320 0.050 -0.166 0.312 9 A C -0.829 176.694 177.584 -0.102 0.000 1.182 9 A CA -1.579 50.487 52.037 0.048 0.000 0.826 9 A CB 1.685 20.696 19.000 0.020 0.000 1.134 9 A HN 0.178 8.403 8.150 0.124 0.000 0.501 10 K N 4.181 124.366 120.400 -0.357 0.000 2.518 10 K HA -0.284 2.808 4.320 -2.046 0.000 0.276 10 K C -0.083 176.269 176.600 -0.413 0.000 0.974 10 K CA 1.610 57.352 56.287 -0.909 0.000 0.986 10 K CB 0.472 32.605 32.500 -0.612 0.000 0.901 10 K HN 0.549 8.676 8.250 -0.206 0.000 0.497 11 N N -2.602 115.878 118.700 -0.368 0.000 2.776 11 N HA -0.342 4.545 4.740 -0.032 -0.167 0.249 11 N C -1.390 174.126 175.510 0.011 0.000 1.111 11 N CA 1.426 54.441 53.050 -0.058 0.000 0.711 11 N CB -1.821 36.714 38.487 0.081 0.000 1.065 11 N HN 0.760 8.793 8.380 -0.579 0.000 0.556 12 T N -6.397 108.156 114.554 -0.002 0.000 2.901 12 T HA 0.371 4.759 4.350 0.063 0.000 0.293 12 T C 0.374 175.126 174.700 0.087 0.000 1.084 12 T CA -2.097 60.037 62.100 0.058 0.000 1.008 12 T CB 3.082 71.986 68.868 0.061 0.000 1.170 12 T HN -0.782 7.385 8.240 -0.051 0.043 0.509 13 L N 0.070 121.337 121.223 0.075 0.000 2.265 13 L HA -0.224 4.152 4.340 0.061 0.000 0.215 13 L C 0.624 177.544 176.870 0.083 0.000 1.117 13 L CA 2.866 57.747 54.840 0.069 0.000 0.782 13 L CB -0.027 42.064 42.059 0.053 0.000 0.914 13 L HN 0.296 8.567 8.230 0.068 0.000 0.441 14 E N -5.642 114.617 120.200 0.099 0.000 2.435 14 E HA -0.151 4.248 4.350 0.081 0.000 0.195 14 E C -0.402 176.284 176.600 0.143 0.000 1.029 14 E CA 0.178 56.639 56.400 0.102 0.000 0.865 14 E CB -0.272 29.483 29.700 0.091 0.000 0.833 14 E HN -0.341 8.040 8.360 0.097 0.037 0.510 15 Y N 1.565 121.876 120.300 0.018 0.000 2.620 15 Y HA -0.182 4.635 4.550 0.027 -0.251 0.330 15 Y C -0.708 175.188 175.900 -0.005 0.000 1.186 15 Y CA 1.383 59.492 58.100 0.014 0.000 1.467 15 Y CB 0.530 38.994 38.460 0.007 0.000 1.262 15 Y HN -0.933 7.447 8.280 0.255 0.053 0.550 16 K N 5.676 125.879 120.400 -0.328 0.000 2.498 16 K HA 0.637 4.826 4.320 -0.519 -0.180 0.254 16 K C -1.847 174.443 176.600 -0.517 0.000 0.933 16 K CA -1.595 54.428 56.287 -0.440 0.000 0.806 16 K CB 4.799 37.165 32.500 -0.223 0.000 1.301 16 K HN -0.057 8.072 8.250 -0.201 0.000 0.432 17 V N 2.381 121.966 119.914 -0.549 0.000 2.407 17 V HA 0.553 4.753 4.120 -0.171 -0.183 0.291 17 V C -1.072 174.844 176.094 -0.296 0.000 1.018 17 V CA -1.604 60.507 62.300 -0.314 0.000 0.842 17 V CB 1.301 32.967 31.823 -0.262 0.000 0.996 17 V HN 0.480 8.318 8.190 -0.586 0.000 0.426 18 Y N 6.512 126.770 120.300 -0.070 0.000 2.320 18 Y HA 0.143 4.668 4.550 -0.041 0.000 0.324 18 Y C -0.392 175.506 175.900 -0.003 0.000 1.190 18 Y CA -0.509 57.572 58.100 -0.032 0.000 1.215 18 Y CB 1.725 40.177 38.460 -0.012 0.000 1.221 18 Y HN 0.518 8.918 8.280 0.200 0.000 0.486 19 I N 1.397 122.055 120.570 0.147 0.000 2.365 19 I HA 0.201 4.590 4.170 0.126 -0.144 0.291 19 I C -0.729 175.497 176.117 0.181 0.000 1.004 19 I CA -0.133 61.241 61.300 0.123 0.000 1.311 19 I CB 0.967 38.975 38.000 0.014 0.000 1.401 19 I HN 0.794 9.079 8.210 0.126 0.000 0.491 20 E N 7.020 127.339 120.200 0.199 0.000 2.191 20 E HA 0.537 5.164 4.350 0.156 -0.184 0.274 20 E C -1.365 175.380 176.600 0.242 0.000 0.948 20 E CA -1.423 55.084 56.400 0.178 0.000 0.802 20 E CB 2.959 32.727 29.700 0.114 0.000 1.137 20 E HN 0.291 8.771 8.360 0.199 0.000 0.397 21 K N 3.792 124.291 120.400 0.164 0.000 2.307 21 K HA 0.434 4.884 4.320 -0.093 -0.186 0.263 21 K C -0.189 176.401 176.600 -0.017 0.000 0.973 21 K CA -1.560 54.737 56.287 0.017 0.000 0.846 21 K CB 1.963 34.479 32.500 0.025 0.000 1.100 21 K HN 0.229 8.568 8.250 0.147 0.000 0.438 22 D N 8.898 129.262 120.400 -0.060 0.000 2.701 22 D HA -0.391 4.224 4.640 -0.040 0.000 0.235 22 D C -0.052 176.244 176.300 -0.006 0.000 1.155 22 D CA 1.478 55.457 54.000 -0.035 0.000 0.649 22 D CB -1.879 38.898 40.800 -0.037 0.000 1.050 22 D HN 0.399 8.704 8.370 -0.108 0.000 0.425 23 G N -6.455 102.351 108.800 0.010 0.000 2.179 23 G HA2 -0.593 3.372 3.960 0.008 0.000 0.260 23 G HA3 -0.593 3.382 3.960 0.025 0.000 0.260 23 G C -1.287 173.623 174.900 0.016 0.000 0.977 23 G CA 0.217 45.327 45.100 0.016 0.000 0.641 23 G HN 0.587 8.864 8.290 0.015 0.022 0.533 24 K N 1.169 121.582 120.400 0.023 0.000 2.206 24 K HA 0.405 4.725 4.320 0.000 0.000 0.264 24 K C -2.616 174.009 176.600 0.041 0.000 0.967 24 K CA -3.193 53.105 56.287 0.018 0.000 0.844 24 K CB 1.104 33.612 32.500 0.015 0.000 1.099 24 K HN -0.595 7.493 8.250 0.027 0.178 0.441 25 P HA 0.089 4.761 4.420 0.098 -0.194 0.268 25 P C -1.262 176.089 177.300 0.084 0.000 1.205 25 P CA 0.149 63.279 63.100 0.051 0.000 0.771 25 P CB 0.319 31.982 31.700 -0.061 0.000 0.858 26 V N -2.424 117.572 119.914 0.136 0.000 3.126 26 V HA 0.423 4.618 4.120 0.124 0.000 0.314 26 V C -1.879 174.304 176.094 0.149 0.000 1.138 26 V CA -3.504 58.881 62.300 0.142 0.000 1.034 26 V CB 3.653 35.578 31.823 0.170 0.000 1.075 26 V HN 0.116 8.400 8.190 0.157 0.000 0.442 27 S N -0.570 115.218 115.700 0.147 0.000 2.510 27 S HA -0.127 4.554 4.470 0.125 -0.137 0.279 27 S C 1.258 175.892 174.600 0.056 0.000 1.284 27 S CA -0.072 58.202 58.200 0.123 0.000 1.059 27 S CB 0.988 64.291 63.200 0.172 0.000 0.901 27 S HN -0.119 8.614 8.310 0.158 -0.327 0.491 28 A N 9.753 132.578 122.820 0.009 0.000 2.067 28 A HA -0.121 4.151 4.320 -0.080 0.000 0.219 28 A C 0.185 177.733 177.584 -0.061 0.000 1.158 28 A CA 2.637 54.638 52.037 -0.060 0.000 0.661 28 A CB -0.414 18.526 19.000 -0.100 0.000 0.801 28 A HN 0.282 8.445 8.150 0.021 0.000 0.452 29 F N -2.854 116.917 119.950 -0.297 0.000 2.220 29 F HA -0.244 4.098 4.527 -0.308 0.000 0.290 29 F C 0.502 176.068 175.800 -0.390 0.000 1.080 29 F CA 0.851 58.591 58.000 -0.434 0.000 1.318 29 F CB 1.269 39.863 39.000 -0.677 0.000 1.063 29 F HN -0.715 7.539 8.300 -0.013 0.039 0.498 30 H N -5.224 114.002 119.070 0.259 0.000 2.604 30 H HA 0.136 4.890 4.556 0.331 0.000 0.273 30 H C 0.911 176.359 175.328 0.200 0.000 0.971 30 H CA 1.774 57.992 56.048 0.284 0.000 1.249 30 H CB 1.816 31.751 29.762 0.289 0.000 1.449 30 H HN -0.320 7.871 8.280 -0.149 0.000 0.512 31 D N -2.343 118.186 120.400 0.215 0.000 2.367 31 D HA 0.157 4.939 4.640 0.238 0.000 0.207 31 D C 0.089 176.463 176.300 0.123 0.000 1.034 31 D CA 0.760 54.876 54.000 0.193 0.000 0.861 31 D CB 1.477 42.394 40.800 0.196 0.000 0.943 31 D HN -0.445 8.021 8.370 0.158 0.000 0.515 32 I N 1.913 122.494 120.570 0.020 0.000 2.352 32 I HA 0.092 4.292 4.170 0.049 0.000 0.290 32 I C -2.743 173.340 176.117 -0.056 0.000 1.036 32 I CA -2.151 59.120 61.300 -0.047 0.000 1.336 32 I CB 0.124 37.980 38.000 -0.240 0.000 1.407 32 I HN -0.862 7.344 8.210 -0.007 0.000 0.497 33 P HA -0.128 4.451 4.420 -0.023 -0.173 0.266 33 P C -0.432 176.786 177.300 -0.136 0.000 1.195 33 P CA -0.393 62.693 63.100 -0.023 0.000 0.768 33 P CB 0.530 32.262 31.700 0.054 0.000 0.838 34 L N 2.035 123.103 121.223 -0.258 0.000 2.012 34 L HA -0.213 3.882 4.340 -0.407 0.000 0.210 34 L C -0.341 176.241 176.870 -0.479 0.000 1.073 34 L CA 2.232 56.789 54.840 -0.473 0.000 0.748 34 L CB 0.795 42.360 42.059 -0.823 0.000 0.891 34 L HN -0.322 8.037 8.230 -0.230 -0.266 0.431 35 Y N -6.443 113.718 120.300 -0.233 0.000 2.330 35 Y HA 0.047 4.476 4.550 -0.392 -0.114 0.336 35 Y C -0.253 175.539 175.900 -0.180 0.000 1.036 35 Y CA -0.652 57.274 58.100 -0.289 0.000 1.125 35 Y CB 0.641 38.909 38.460 -0.319 0.000 1.194 35 Y HN -0.628 7.589 8.280 -0.106 0.000 0.469 36 A N 4.693 127.489 122.820 -0.039 0.000 1.935 36 A HA -0.074 4.255 4.320 0.016 0.000 0.214 36 A C -0.761 176.804 177.584 -0.032 0.000 1.178 36 A CA 1.151 53.178 52.037 -0.016 0.000 0.640 36 A CB 1.393 20.382 19.000 -0.018 0.000 0.825 36 A HN 0.590 8.673 8.150 -0.111 0.000 0.447 37 D N -4.007 116.349 120.400 -0.073 0.000 2.323 37 D HA 0.164 4.749 4.640 -0.091 0.000 0.242 37 D C -1.097 175.092 176.300 -0.184 0.000 1.347 37 D CA -0.867 53.070 54.000 -0.106 0.000 0.988 37 D CB 1.378 42.121 40.800 -0.096 0.000 1.314 37 D HN -0.639 7.673 8.370 -0.096 0.000 0.564 38 K N 6.154 126.400 120.400 -0.257 0.000 2.009 38 K HA -0.279 3.517 4.320 -0.873 0.000 0.210 38 K C 1.824 178.173 176.600 -0.418 0.000 1.049 38 K CA 2.541 58.486 56.287 -0.570 0.000 0.929 38 K CB -0.010 32.121 32.500 -0.614 0.000 0.714 38 K HN 0.347 8.478 8.250 -0.198 0.000 0.440 39 E N -1.328 118.714 120.200 -0.263 0.000 2.160 39 E HA -0.248 3.982 4.350 -0.200 0.000 0.195 39 E C 1.355 177.858 176.600 -0.163 0.000 0.991 39 E CA 2.462 58.748 56.400 -0.190 0.000 0.810 39 E CB -0.653 28.968 29.700 -0.132 0.000 0.742 39 E HN -0.100 8.199 8.360 -0.226 -0.075 0.466 40 N N -3.996 114.608 118.700 -0.161 0.000 2.230 40 N HA 0.133 4.811 4.740 -0.103 0.000 0.202 40 N C -1.383 174.032 175.510 -0.159 0.000 1.119 40 N CA -0.307 52.667 53.050 -0.127 0.000 0.851 40 N CB 1.002 39.431 38.487 -0.096 0.000 0.990 40 N HN -0.792 7.640 8.380 -0.173 -0.156 0.497 41 N N -3.185 115.369 118.700 -0.244 0.000 2.727 41 N HA -0.408 4.058 4.740 -0.457 0.000 0.249 41 N C -1.841 173.347 175.510 -0.536 0.000 1.048 41 N CA 1.396 54.216 53.050 -0.383 0.000 0.714 41 N CB -1.377 37.010 38.487 -0.167 0.000 0.959 41 N HN -0.189 7.726 8.380 -0.264 0.307 0.544 42 I N -2.369 117.957 120.570 -0.407 0.000 2.325 42 I HA 0.234 4.423 4.170 -0.214 -0.147 0.291 42 I C -0.356 175.499 176.117 -0.436 0.000 1.019 42 I CA -2.145 58.975 61.300 -0.301 0.000 1.302 42 I CB -1.057 36.863 38.000 -0.133 0.000 1.401 42 I HN -0.496 7.503 8.210 -0.311 0.024 0.485 43 F N 7.518 127.357 119.950 -0.186 0.000 2.432 43 F HA 0.322 4.705 4.527 -0.477 -0.143 0.329 43 F C -0.315 175.353 175.800 -0.220 0.000 1.076 43 F CA -1.365 56.391 58.000 -0.407 0.000 1.018 43 F CB 2.667 41.139 39.000 -0.881 0.000 1.201 43 F HN 0.547 8.834 8.300 -0.022 0.000 0.489 44 N N 1.768 120.439 118.700 -0.048 0.000 2.422 44 N HA 0.294 5.207 4.740 0.010 -0.166 0.264 44 N C -1.276 174.286 175.510 0.087 0.000 1.063 44 N CA 0.194 53.237 53.050 -0.012 0.000 0.959 44 N CB 0.931 39.373 38.487 -0.075 0.000 1.087 44 N HN 0.063 8.363 8.380 -0.133 0.000 0.483 45 M N 5.160 124.820 119.600 0.101 0.000 2.238 45 M HA 0.347 5.053 4.480 0.153 -0.133 0.350 45 M C -2.148 174.080 176.300 -0.121 0.000 1.138 45 M CA -0.520 54.807 55.300 0.047 0.000 1.040 45 M CB 3.115 35.697 32.600 -0.030 0.000 1.639 45 M HN 0.676 9.002 8.290 0.059 0.000 0.451 46 V N 7.310 127.119 119.914 -0.175 0.000 2.385 46 V HA 0.298 4.437 4.120 -0.230 -0.157 0.269 46 V C -0.717 175.224 176.094 -0.255 0.000 1.043 46 V CA -1.021 61.144 62.300 -0.225 0.000 0.906 46 V CB -0.240 31.449 31.823 -0.224 0.000 0.995 46 V HN 0.518 8.613 8.190 -0.158 0.000 0.467 47 V N 8.629 128.389 119.914 -0.258 0.000 2.530 47 V HA -0.131 3.829 4.120 -0.267 0.000 0.282 47 V C -0.274 175.696 176.094 -0.206 0.000 1.048 47 V CA 0.352 62.500 62.300 -0.254 0.000 0.997 47 V CB -0.706 30.950 31.823 -0.279 0.000 0.987 47 V HN 0.608 8.638 8.190 -0.266 0.000 0.477 48 E N 9.475 129.567 120.200 -0.180 0.000 2.175 48 E HA 0.177 4.456 4.350 -0.118 0.000 0.195 48 E C -0.051 176.487 176.600 -0.103 0.000 0.934 48 E CA 1.708 58.035 56.400 -0.123 0.000 0.870 48 E CB 1.708 31.353 29.700 -0.091 0.000 0.838 48 E HN 0.305 8.544 8.360 -0.202 0.000 0.474 49 I N -0.789 119.700 120.570 -0.136 0.000 2.439 49 I HA 0.480 4.561 4.170 -0.148 0.000 0.283 49 I C -2.832 173.181 176.117 -0.172 0.000 1.023 49 I CA -2.988 58.189 61.300 -0.205 0.000 1.100 49 I CB 2.798 40.494 38.000 -0.506 0.000 1.238 49 I HN -0.298 7.833 8.210 -0.131 0.000 0.445 50 P HA 0.103 4.463 4.420 -0.100 0.000 0.271 50 P C -0.891 176.342 177.300 -0.111 0.000 1.218 50 P CA -0.716 62.334 63.100 -0.084 0.000 0.780 50 P CB 0.533 32.227 31.700 -0.010 0.000 0.901 51 R N 2.168 122.554 120.500 -0.191 0.000 2.583 51 R HA -0.570 3.708 4.340 -0.301 -0.118 0.274 51 R C 0.216 176.406 176.300 -0.182 0.000 0.998 51 R CA 1.852 57.739 56.100 -0.356 0.000 1.081 51 R CB 0.261 30.139 30.300 -0.703 0.000 0.940 51 R HN -0.231 8.211 8.270 -0.196 -0.290 0.413 52 W N 0.241 121.495 121.300 -0.077 0.000 2.525 52 W HA -0.271 4.520 4.660 -0.283 -0.301 0.288 52 W C -0.679 175.651 176.519 -0.315 0.000 1.125 52 W CA 0.472 57.675 57.345 -0.237 0.000 0.538 52 W CB -3.213 26.142 29.460 -0.174 0.000 2.165 52 W HN 0.537 8.529 8.180 -0.136 0.107 1.258 53 T N -4.329 110.260 114.554 0.059 0.000 2.937 53 T HA 0.348 4.721 4.350 0.039 0.000 0.283 53 T C -0.454 174.367 174.700 0.202 0.000 1.012 53 T CA -2.139 60.009 62.100 0.079 0.000 0.997 53 T CB 2.186 71.097 68.868 0.072 0.000 1.136 53 T HN -0.517 7.702 8.240 0.074 0.064 0.551 54 N N -0.813 118.040 118.700 0.255 0.000 2.445 54 N HA -0.010 4.986 4.740 0.427 0.000 0.204 54 N C -0.512 175.230 175.510 0.388 0.000 1.098 54 N CA 0.766 54.047 53.050 0.386 0.000 0.859 54 N CB 0.545 39.271 38.487 0.399 0.000 1.249 54 N HN 0.242 8.760 8.380 0.230 0.000 0.462 55 A N -0.469 122.526 122.820 0.292 0.000 2.548 55 A HA -0.161 3.946 4.320 -0.354 0.000 0.247 55 A C -0.083 177.462 177.584 -0.064 0.000 1.067 55 A CA 0.723 52.735 52.037 -0.041 0.000 0.757 55 A CB -0.012 18.957 19.000 -0.052 0.000 0.996 55 A HN -0.295 8.035 8.150 0.300 0.000 0.504 56 K N 6.271 126.595 120.400 -0.126 0.000 2.187 56 K HA 0.180 4.493 4.320 -0.011 0.000 0.242 56 K C -1.528 175.038 176.600 -0.057 0.000 1.179 56 K CA -1.702 54.566 56.287 -0.032 0.000 1.097 56 K CB -1.311 31.212 32.500 0.039 0.000 1.634 56 K HN -0.004 8.084 8.250 -0.270 0.000 0.335 57 L N 3.112 124.299 121.223 -0.060 0.000 2.371 57 L HA 0.147 4.771 4.340 -0.023 -0.298 0.272 57 L C 0.052 176.899 176.870 -0.039 0.000 1.124 57 L CA 0.086 54.907 54.840 -0.032 0.000 0.816 57 L CB 0.520 42.582 42.059 0.005 0.000 1.129 57 L HN -0.427 7.710 8.230 -0.081 0.045 0.448 58 E N -0.123 120.048 120.200 -0.048 0.000 2.366 58 E HA 0.307 4.777 4.350 -0.052 -0.151 0.278 58 E C -0.983 175.557 176.600 -0.100 0.000 0.923 58 E CA -2.378 53.988 56.400 -0.056 0.000 0.761 58 E CB 4.339 34.026 29.700 -0.022 0.000 1.231 58 E HN 0.466 8.794 8.360 -0.054 0.000 0.443 59 I N 3.840 124.330 120.570 -0.133 0.000 2.821 59 I HA -0.390 3.808 4.170 -0.160 -0.124 0.294 59 I C -0.112 175.938 176.117 -0.112 0.000 1.210 59 I CA 2.011 63.217 61.300 -0.157 0.000 1.430 59 I CB -0.228 37.637 38.000 -0.225 0.000 1.356 59 I HN 0.298 8.753 8.210 -0.140 -0.329 0.563 60 T N 9.182 123.687 114.554 -0.081 0.000 2.743 60 T HA 0.198 4.538 4.350 -0.017 0.000 0.293 60 T C 0.468 175.198 174.700 0.051 0.000 0.945 60 T CA -0.088 61.997 62.100 -0.024 0.000 1.030 60 T CB 0.876 69.720 68.868 -0.040 0.000 0.912 60 T HN 0.066 8.243 8.240 -0.104 0.000 0.483 61 K N 5.990 126.450 120.400 0.099 0.000 2.211 61 K HA -0.293 4.217 4.320 0.317 0.000 0.203 61 K C 0.887 177.578 176.600 0.152 0.000 1.050 61 K CA 3.746 60.156 56.287 0.205 0.000 0.945 61 K CB -0.090 32.549 32.500 0.231 0.000 0.732 61 K HN 0.759 9.052 8.250 0.073 0.000 0.451 62 E N -5.581 114.676 120.200 0.096 0.000 2.474 62 E HA 0.176 4.575 4.350 0.082 0.000 0.195 62 E C -0.396 176.241 176.600 0.062 0.000 1.039 62 E CA -1.201 55.244 56.400 0.075 0.000 0.881 62 E CB 0.231 29.967 29.700 0.060 0.000 0.970 62 E HN -0.701 7.645 8.360 0.077 0.060 0.486 63 E N -0.782 119.455 120.200 0.062 0.000 2.277 63 E HA 0.210 4.596 4.350 0.061 0.000 0.266 63 E C -0.813 175.838 176.600 0.085 0.000 0.901 63 E CA -1.429 55.007 56.400 0.060 0.000 0.782 63 E CB 3.043 32.763 29.700 0.033 0.000 1.228 63 E HN -0.877 7.468 8.360 0.065 0.053 0.424 64 T N 3.763 118.378 114.554 0.101 0.000 2.888 64 T HA -0.014 4.495 4.350 0.107 -0.095 0.301 64 T C 0.208 175.012 174.700 0.173 0.000 1.001 64 T CA 1.798 63.968 62.100 0.116 0.000 1.147 64 T CB -0.036 68.885 68.868 0.088 0.000 0.931 64 T HN 0.412 8.709 8.240 0.095 0.000 0.541 65 L N -0.590 120.732 121.223 0.164 0.000 4.696 65 L HA -0.501 3.940 4.340 0.168 0.000 0.425 65 L C -1.221 175.722 176.870 0.122 0.000 1.115 65 L CA 0.762 55.712 54.840 0.183 0.000 0.996 65 L CB -2.212 39.998 42.059 0.251 0.000 2.077 65 L HN 0.761 9.080 8.230 0.149 0.000 0.792 66 N N -7.496 111.249 118.700 0.075 0.000 2.714 66 N HA -0.302 4.688 4.740 0.018 -0.239 0.253 66 N C -2.104 173.337 175.510 -0.116 0.000 1.024 66 N CA 0.544 53.601 53.050 0.012 0.000 0.726 66 N CB -1.471 37.059 38.487 0.072 0.000 0.908 66 N HN -0.275 8.067 8.380 0.099 0.097 0.542 67 P HA -0.076 4.114 4.420 -0.506 -0.074 0.271 67 P C -0.697 176.399 177.300 -0.340 0.000 1.233 67 P CA -0.124 62.659 63.100 -0.529 0.000 0.789 67 P CB 0.921 31.960 31.700 -1.103 0.000 0.951 68 I N -0.857 119.509 120.570 -0.340 0.000 2.416 68 I HA 0.186 4.449 4.170 -0.203 -0.215 0.288 68 I C 0.052 175.992 176.117 -0.295 0.000 1.051 68 I CA 0.414 61.559 61.300 -0.258 0.000 1.375 68 I CB -0.069 37.803 38.000 -0.214 0.000 1.407 68 I HN -0.009 7.976 8.210 -0.374 0.000 0.516 69 I N 0.076 120.535 120.570 -0.185 0.000 3.191 69 I HA 0.659 4.724 4.170 -0.176 0.000 0.313 69 I C -2.333 173.760 176.117 -0.040 0.000 1.193 69 I CA -2.868 58.353 61.300 -0.131 0.000 0.968 69 I CB 4.360 42.292 38.000 -0.113 0.000 1.262 69 I HN 0.514 8.637 8.210 -0.146 0.000 0.456 70 Q N 0.904 120.716 119.800 0.019 0.000 2.286 70 Q HA -0.140 4.316 4.340 -0.029 -0.134 0.257 70 Q C 0.137 176.113 176.000 -0.041 0.000 0.941 70 Q CA 0.230 56.022 55.803 -0.018 0.000 0.912 70 Q CB 1.049 29.763 28.738 -0.040 0.000 1.192 70 Q HN 0.487 8.797 8.270 0.066 0.000 0.410 71 D N 6.115 126.485 120.400 -0.051 0.000 2.419 71 D HA -0.085 4.544 4.640 -0.018 0.000 0.236 71 D C -0.422 175.849 176.300 -0.047 0.000 1.165 71 D CA 2.162 56.142 54.000 -0.034 0.000 0.882 71 D CB 1.504 42.293 40.800 -0.018 0.000 1.201 71 D HN 0.180 8.517 8.370 -0.054 0.000 0.443 72 T N -2.571 111.971 114.554 -0.020 0.000 2.924 72 T HA 0.708 5.168 4.350 -0.024 -0.124 0.291 72 T C -0.772 173.929 174.700 0.003 0.000 1.045 72 T CA -2.118 59.976 62.100 -0.011 0.000 1.015 72 T CB 3.096 71.967 68.868 0.005 0.000 1.103 72 T HN -0.020 8.215 8.240 -0.008 0.000 0.496 73 K N 3.531 123.939 120.400 0.014 0.000 2.637 73 K HA 0.347 4.676 4.320 0.016 0.000 0.248 73 K C -0.457 176.161 176.600 0.030 0.000 0.971 73 K CA -1.835 54.466 56.287 0.022 0.000 0.858 73 K CB 2.625 35.143 32.500 0.030 0.000 1.170 73 K HN 0.605 8.758 8.250 0.018 0.108 0.443 74 K N 5.283 125.698 120.400 0.025 0.000 3.148 74 K HA -0.318 4.016 4.320 0.023 0.000 0.267 74 K C 0.129 176.748 176.600 0.032 0.000 0.996 74 K CA 0.684 56.987 56.287 0.027 0.000 0.737 74 K CB -2.195 30.322 32.500 0.028 0.000 1.308 74 K HN 0.815 9.078 8.250 0.021 0.000 0.470 75 G N -6.623 102.195 108.800 0.031 0.000 2.212 75 G HA2 -0.436 3.544 3.960 0.033 0.000 0.266 75 G HA3 -0.436 3.542 3.960 0.030 0.000 0.266 75 G C -0.716 174.208 174.900 0.041 0.000 0.978 75 G CA -0.023 45.097 45.100 0.033 0.000 0.632 75 G HN 0.192 8.482 8.290 0.027 0.017 0.537 76 K N 0.485 120.914 120.400 0.049 0.000 2.303 76 K HA 0.349 4.710 4.320 0.068 0.000 0.233 76 K C -1.964 174.670 176.600 0.056 0.000 1.046 76 K CA -1.948 54.380 56.287 0.069 0.000 0.895 76 K CB 2.195 34.751 32.500 0.094 0.000 1.220 76 K HN -0.364 7.714 8.250 0.046 0.199 0.470 77 L N -1.208 120.059 121.223 0.074 0.000 2.397 77 L HA 0.096 4.394 4.340 -0.070 0.000 0.271 77 L C -0.024 176.800 176.870 -0.078 0.000 1.148 77 L CA -0.303 54.511 54.840 -0.043 0.000 0.825 77 L CB 0.899 42.907 42.059 -0.086 0.000 1.117 77 L HN 0.073 8.380 8.230 0.128 0.000 0.456 78 R N 2.190 122.571 120.500 -0.198 0.000 2.254 78 R HA 0.229 4.577 4.340 0.014 0.000 0.318 78 R C -1.714 174.393 176.300 -0.323 0.000 1.031 78 R CA -0.692 55.334 56.100 -0.124 0.000 0.905 78 R CB 1.637 31.900 30.300 -0.061 0.000 1.050 78 R HN 0.223 8.368 8.270 -0.208 0.000 0.456 79 F N 3.853 123.846 119.950 0.072 0.000 2.532 79 F HA 0.353 5.097 4.527 0.115 -0.148 0.321 79 F C -0.124 175.737 175.800 0.102 0.000 1.089 79 F CA -1.511 56.548 58.000 0.098 0.000 0.926 79 F CB 2.950 42.004 39.000 0.091 0.000 1.168 79 F HN 0.143 8.607 8.300 0.273 0.000 0.459 80 V N 2.637 122.750 119.914 0.332 0.000 2.583 80 V HA -0.092 4.116 4.120 0.146 0.000 0.287 80 V C 0.169 176.385 176.094 0.204 0.000 1.051 80 V CA -0.540 61.903 62.300 0.239 0.000 1.010 80 V CB 0.195 32.217 31.823 0.332 0.000 0.988 80 V HN 0.528 8.941 8.190 0.370 0.000 0.478 81 R N 4.077 124.618 120.500 0.070 0.000 2.560 81 R HA 0.040 4.494 4.340 0.190 0.000 0.270 81 R C -0.383 176.007 176.300 0.151 0.000 1.074 81 R CA -2.084 54.075 56.100 0.100 0.000 1.140 81 R CB 0.664 30.892 30.300 -0.120 0.000 1.073 81 R HN 0.404 8.661 8.270 -0.022 0.000 0.527 82 N N -0.074 118.810 118.700 0.308 0.000 2.442 82 N HA -0.026 4.920 4.740 0.343 0.000 0.265 82 N C -1.500 174.308 175.510 0.496 0.000 1.138 82 N CA 0.345 53.628 53.050 0.387 0.000 0.956 82 N CB 0.903 39.574 38.487 0.307 0.000 1.067 82 N HN 0.213 8.805 8.380 0.353 0.000 0.474 83 C N 3.472 122.984 119.300 0.354 0.000 2.293 83 C HA 0.561 5.297 4.460 0.186 -0.164 0.323 83 C C 0.253 175.286 174.990 0.070 0.000 1.240 83 C CA -0.717 58.404 59.018 0.171 0.000 1.497 83 C CB 0.603 28.334 27.740 -0.015 0.000 2.171 83 C HN 0.544 8.974 8.230 0.334 0.000 0.465 84 F N 8.239 127.838 119.950 -0.585 0.000 2.623 84 F HA -0.087 3.774 4.527 -1.109 0.000 0.383 84 F C -1.477 173.923 175.800 -0.667 0.000 1.077 84 F CA -0.253 57.087 58.000 -1.101 0.000 1.268 84 F CB 1.746 39.526 39.000 -2.034 0.000 1.053 84 F HN 0.411 8.452 8.300 -0.432 0.000 0.571 85 P HA 0.077 2.992 4.420 -2.508 0.000 0.263 85 P C -1.916 175.124 177.300 -0.433 0.000 1.448 85 P CA -0.435 61.686 63.100 -1.631 0.000 0.983 85 P CB 0.152 30.989 31.700 -1.439 0.000 1.481 86 H N 0.808 119.990 119.070 0.187 0.000 2.481 86 H HA 0.162 4.903 4.556 0.308 0.000 0.339 86 H C -0.968 174.666 175.328 0.509 0.000 1.131 86 H CA -0.839 55.423 56.048 0.358 0.000 1.301 86 H CB 1.742 31.725 29.762 0.369 0.000 1.476 86 H HN -0.150 7.735 8.280 -0.354 0.184 0.529 87 H N 2.272 121.574 119.070 0.387 0.000 2.673 87 H HA -0.057 4.541 4.556 0.069 0.000 0.293 87 H C 0.077 175.629 175.328 0.372 0.000 1.065 87 H CA -1.555 54.608 56.048 0.192 0.000 1.236 87 H CB 0.724 30.447 29.762 -0.065 0.000 1.389 87 H HN 0.316 8.961 8.280 0.609 0.000 0.481 88 G N 6.881 115.895 108.800 0.356 0.000 2.582 88 G HA2 -0.503 3.707 3.960 0.193 0.000 0.288 88 G HA3 -0.503 3.659 3.960 0.337 0.000 0.288 88 G C -1.430 173.709 174.900 0.399 0.000 1.247 88 G CA 0.297 45.584 45.100 0.313 0.000 0.972 88 G HN 0.314 9.093 8.290 0.414 -0.240 0.557 89 Y N 1.338 121.716 120.300 0.130 0.000 2.511 89 Y HA -0.072 4.160 4.550 -0.529 0.000 0.332 89 Y C 1.304 176.955 175.900 -0.415 0.000 1.177 89 Y CA 1.274 59.209 58.100 -0.274 0.000 1.422 89 Y CB 0.370 38.646 38.460 -0.307 0.000 1.271 89 Y HN -0.416 8.155 8.280 0.484 0.000 0.550 90 I N -3.409 116.701 120.570 -0.767 0.000 3.928 90 I HA 0.087 3.965 4.170 -0.486 0.000 0.335 90 I C -1.686 173.849 176.117 -0.970 0.000 1.325 90 I CA -0.100 60.751 61.300 -0.748 0.000 1.107 90 I CB 0.522 38.110 38.000 -0.687 0.000 1.014 90 I HN 0.083 7.507 8.210 -1.310 0.000 0.400 91 H N -3.200 115.634 119.070 -0.393 0.000 2.865 91 H HA 0.222 4.584 4.556 -0.325 0.000 0.372 91 H C -0.593 174.594 175.328 -0.235 0.000 1.173 91 H CA -1.994 53.880 56.048 -0.289 0.000 1.147 91 H CB 2.173 31.824 29.762 -0.186 0.000 1.805 91 H HN -0.777 7.136 8.280 -0.509 0.062 0.553 92 N N 0.734 119.368 118.700 -0.111 0.000 2.452 92 N HA 0.002 4.797 4.740 -0.133 -0.134 0.266 92 N C -1.536 173.925 175.510 -0.082 0.000 1.175 92 N CA 0.507 53.485 53.050 -0.121 0.000 0.945 92 N CB 0.427 38.821 38.487 -0.155 0.000 1.063 92 N HN 0.043 8.340 8.380 -0.138 0.000 0.472 93 Y N 6.461 126.625 120.300 -0.226 0.000 2.393 93 Y HA 0.585 5.166 4.550 -0.199 -0.151 0.341 93 Y C -1.856 173.888 175.900 -0.260 0.000 0.988 93 Y CA -1.248 56.714 58.100 -0.230 0.000 1.078 93 Y CB 4.044 42.346 38.460 -0.262 0.000 1.203 93 Y HN 0.457 8.698 8.280 -0.065 0.000 0.453 94 G N 3.987 112.266 108.800 -0.870 0.000 2.635 94 G HA2 0.548 4.424 3.960 -0.462 0.000 0.194 94 G HA3 0.548 4.417 3.960 -0.462 -0.187 0.194 94 G C -3.074 171.393 174.900 -0.722 0.000 1.198 94 G CA 0.489 45.219 45.100 -0.617 0.000 0.972 94 G HN 0.370 7.949 8.290 -1.185 0.000 0.520 95 A N -2.637 119.860 122.820 -0.538 0.000 2.609 95 A HA 0.866 4.976 4.320 -0.599 -0.149 0.291 95 A C -2.739 174.601 177.584 -0.406 0.000 1.096 95 A CA -1.102 50.635 52.037 -0.500 0.000 0.684 95 A CB 3.566 22.346 19.000 -0.367 0.000 1.282 95 A HN -0.047 7.831 8.150 -0.454 0.000 0.412 96 F N -0.405 119.351 119.950 -0.324 0.000 2.410 96 F HA 0.790 5.135 4.527 -0.303 0.000 0.349 96 F C -1.115 174.512 175.800 -0.288 0.000 1.117 96 F CA -3.642 54.168 58.000 -0.317 0.000 1.104 96 F CB 1.326 40.101 39.000 -0.376 0.000 1.122 96 F HN -0.148 7.928 8.300 -0.375 0.000 0.483 97 P HA -0.047 4.287 4.420 -0.144 0.000 0.272 97 P C -0.977 176.146 177.300 -0.296 0.000 1.240 97 P CA 0.228 63.227 63.100 -0.169 0.000 0.791 97 P CB 0.766 32.358 31.700 -0.180 0.000 0.978 98 Q N -6.847 112.626 119.800 -0.545 0.000 2.487 98 Q HA -0.482 2.041 4.340 -3.027 0.000 0.279 98 Q C -1.743 173.987 176.000 -0.450 0.000 1.228 98 Q CA 1.295 56.238 55.803 -1.434 0.000 0.873 98 Q CB -1.883 26.074 28.738 -1.302 0.000 1.260 98 Q HN 0.422 8.487 8.270 -0.342 0.000 0.471 99 T N -7.114 107.429 114.554 -0.018 0.000 2.896 99 T HA 0.517 5.282 4.350 0.427 -0.158 0.297 99 T C -1.486 173.575 174.700 0.601 0.000 1.108 99 T CA -2.177 60.112 62.100 0.316 0.000 1.004 99 T CB 3.360 72.325 68.868 0.160 0.000 1.159 99 T HN -0.699 7.511 8.240 -0.005 0.027 0.499 100 W N 1.948 123.447 121.300 0.332 0.000 3.439 100 W HA 0.207 5.349 4.660 0.306 -0.299 0.323 100 W C -2.445 174.187 176.519 0.188 0.000 1.174 100 W CA -1.042 56.495 57.345 0.320 0.000 1.224 100 W CB 3.780 33.484 29.460 0.407 0.000 1.348 100 W HN 0.242 8.641 8.180 0.541 0.105 0.498 101 E N 6.167 126.374 120.200 0.012 0.000 1.941 101 E HA 0.072 4.317 4.350 -0.175 0.000 0.275 101 E C -1.481 174.790 176.600 -0.549 0.000 1.113 101 E CA -0.793 55.486 56.400 -0.203 0.000 0.878 101 E CB 0.588 30.231 29.700 -0.095 0.000 1.070 101 E HN 0.326 8.772 8.360 0.143 0.000 0.399 102 D N 5.350 125.438 120.400 -0.521 0.000 2.401 102 D HA -0.005 3.517 4.640 -1.864 0.000 0.254 102 D C -0.529 175.551 176.300 -0.366 0.000 1.192 102 D CA -1.975 51.541 54.000 -0.807 0.000 0.885 102 D CB 1.668 42.293 40.800 -0.292 0.000 1.147 102 D HN -0.078 8.113 8.370 -0.299 0.000 0.478 103 P HA 0.192 4.711 4.420 -0.100 -0.159 0.255 103 P C -0.682 176.556 177.300 -0.105 0.000 1.248 103 P CA 0.517 63.517 63.100 -0.167 0.000 0.807 103 P CB 0.858 32.506 31.700 -0.086 0.000 1.150 104 N N -2.182 116.436 118.700 -0.136 0.000 2.353 104 N HA 0.064 4.780 4.740 -0.040 0.000 0.185 104 N C -0.878 174.571 175.510 -0.102 0.000 1.098 104 N CA 0.830 53.839 53.050 -0.069 0.000 0.872 104 N CB 1.800 40.279 38.487 -0.013 0.000 0.970 104 N HN -0.040 8.472 8.380 -0.220 -0.264 0.467 105 V N -4.658 115.144 119.914 -0.186 0.000 2.925 105 V HA 0.411 4.420 4.120 -0.186 0.000 0.311 105 V C -1.475 174.337 176.094 -0.470 0.000 1.104 105 V CA -2.601 59.535 62.300 -0.275 0.000 0.954 105 V CB 3.601 35.265 31.823 -0.264 0.000 1.022 105 V HN -0.742 7.281 8.190 -0.197 0.049 0.427 106 S N 2.589 118.086 115.700 -0.339 0.000 2.545 106 S HA 0.084 4.505 4.470 -0.265 -0.110 0.275 106 S C -0.602 173.750 174.600 -0.413 0.000 1.299 106 S CA -0.427 57.593 58.200 -0.299 0.000 1.048 106 S CB 0.594 63.716 63.200 -0.130 0.000 0.938 106 S HN 0.231 8.399 8.310 -0.236 0.000 0.496 107 H N 9.219 128.295 119.070 0.010 0.000 2.489 107 H HA 0.454 5.050 4.556 0.066 0.000 0.322 107 H C -0.662 174.706 175.328 0.068 0.000 1.091 107 H CA -1.407 54.679 56.048 0.063 0.000 1.291 107 H CB 1.383 31.213 29.762 0.114 0.000 1.436 107 H HN 0.045 8.202 8.280 -0.023 0.109 0.480 108 P HA -0.092 4.374 4.420 0.076 0.000 0.221 108 P C 1.192 178.585 177.300 0.156 0.000 1.150 108 P CA 2.176 65.351 63.100 0.126 0.000 0.800 108 P CB 0.425 32.197 31.700 0.119 0.000 0.787 109 E N -3.287 117.068 120.200 0.259 0.000 2.150 109 E HA -0.252 4.300 4.350 0.337 0.000 0.193 109 E C 0.526 177.147 176.600 0.035 0.000 0.985 109 E CA 3.197 59.790 56.400 0.321 0.000 0.814 109 E CB -0.934 29.182 29.700 0.694 0.000 0.752 109 E HN 0.592 9.076 8.360 0.316 0.065 0.466 110 T N -7.466 107.084 114.554 -0.006 0.000 2.975 110 T HA 0.190 4.372 4.350 -0.280 0.000 0.257 110 T C 0.269 174.902 174.700 -0.113 0.000 1.003 110 T CA -0.367 61.626 62.100 -0.178 0.000 0.932 110 T CB 1.456 70.144 68.868 -0.300 0.000 1.087 110 T HN -0.695 7.569 8.240 0.092 0.032 0.512 111 K N -3.753 116.626 120.400 -0.035 0.000 3.117 111 K HA -0.445 3.990 4.320 -0.014 -0.123 0.269 111 K C -1.783 174.791 176.600 -0.044 0.000 1.098 111 K CA 1.070 57.337 56.287 -0.033 0.000 0.785 111 K CB -3.540 28.934 32.500 -0.044 0.000 1.242 111 K HN 0.215 8.471 8.250 0.010 0.000 0.491 112 A N -4.115 118.690 122.820 -0.026 0.000 2.587 112 A HA 0.270 4.565 4.320 -0.041 0.000 0.293 112 A C -1.627 175.974 177.584 0.029 0.000 1.087 112 A CA -1.194 50.826 52.037 -0.029 0.000 0.692 112 A CB 3.157 22.120 19.000 -0.062 0.000 1.291 112 A HN -0.885 7.249 8.150 0.005 0.019 0.407 113 V N -2.307 117.607 119.914 -0.000 0.000 2.999 113 V HA 0.371 4.726 4.120 0.000 -0.235 0.307 113 V C 0.735 176.901 176.094 0.120 0.000 1.084 113 V CA -1.531 60.788 62.300 0.032 0.000 1.155 113 V CB 0.365 32.171 31.823 -0.029 0.000 0.975 113 V HN 0.306 8.480 8.190 -0.026 0.000 0.490 114 G N 0.531 109.448 108.800 0.195 0.000 2.606 114 G HA2 -0.045 3.973 3.960 -0.047 0.000 0.252 114 G HA3 -0.045 4.042 3.960 -0.019 -0.138 0.252 114 G C 0.002 174.876 174.900 -0.044 0.000 1.206 114 G CA -0.728 44.380 45.100 0.013 0.000 0.861 114 G HN -0.174 8.287 8.290 0.285 0.000 0.561 115 D N 1.011 121.381 120.400 -0.050 0.000 2.336 115 D HA -0.220 4.541 4.640 -0.008 -0.127 0.229 115 D C 0.097 176.412 176.300 0.025 0.000 1.061 115 D CA -0.719 53.273 54.000 -0.013 0.000 0.875 115 D CB -0.225 40.573 40.800 -0.002 0.000 0.904 115 D HN -0.285 8.049 8.370 -0.060 0.000 0.525 116 N N -2.894 115.799 118.700 -0.012 0.000 2.937 116 N HA -0.377 4.421 4.740 -0.078 -0.105 0.248 116 N C -2.062 173.702 175.510 0.423 0.000 1.069 116 N CA 1.778 54.910 53.050 0.136 0.000 0.822 116 N CB -0.359 38.261 38.487 0.221 0.000 1.122 116 N HN -0.276 7.979 8.380 -0.107 0.061 0.554 117 D N -1.446 119.113 120.400 0.265 0.000 2.531 117 D HA 0.538 5.348 4.640 0.283 0.000 0.244 117 D C -2.404 174.002 176.300 0.178 0.000 1.090 117 D CA -2.208 51.918 54.000 0.210 0.000 0.989 117 D CB 2.956 43.785 40.800 0.048 0.000 1.433 117 D HN -0.835 7.702 8.370 0.139 -0.083 0.492 118 P HA -0.145 4.436 4.420 0.084 -0.111 0.267 118 P C -0.597 176.665 177.300 -0.064 0.000 1.201 118 P CA 0.230 63.274 63.100 -0.094 0.000 0.775 118 P CB 0.608 32.092 31.700 -0.359 0.000 0.854 119 I N 0.944 121.492 120.570 -0.037 0.000 2.692 119 I HA -0.345 3.797 4.170 -0.046 0.000 0.284 119 I C -0.874 175.085 176.117 -0.263 0.000 1.159 119 I CA 0.516 61.761 61.300 -0.092 0.000 1.423 119 I CB 1.646 39.610 38.000 -0.061 0.000 1.380 119 I HN -0.001 8.219 8.210 0.017 0.000 0.580 120 D N 8.698 128.929 120.400 -0.282 0.000 2.225 120 D HA 0.493 4.969 4.640 -0.533 -0.156 0.249 120 D C -0.817 175.114 176.300 -0.615 0.000 1.052 120 D CA -0.424 53.305 54.000 -0.453 0.000 0.909 120 D CB 1.779 42.412 40.800 -0.279 0.000 1.186 120 D HN -0.215 8.047 8.370 -0.180 0.000 0.431 121 V N 0.291 119.713 119.914 -0.820 0.000 2.638 121 V HA 0.397 4.247 4.120 -0.707 -0.154 0.306 121 V C -1.550 174.138 176.094 -0.678 0.000 1.052 121 V CA -1.379 60.441 62.300 -0.801 0.000 0.885 121 V CB 3.021 34.214 31.823 -1.050 0.000 0.999 121 V HN 0.334 7.867 8.190 -0.946 0.089 0.424 122 L N 5.503 126.426 121.223 -0.500 0.000 2.276 122 L HA 0.468 4.729 4.340 -0.330 -0.119 0.286 122 L C -1.716 174.968 176.870 -0.309 0.000 1.024 122 L CA -1.332 53.261 54.840 -0.411 0.000 0.826 122 L CB 0.773 42.456 42.059 -0.626 0.000 1.211 122 L HN 0.896 8.839 8.230 -0.478 0.000 0.422 123 E N 4.541 124.606 120.200 -0.226 0.000 2.133 123 E HA 0.509 4.968 4.350 -0.190 -0.224 0.274 123 E C -0.331 176.174 176.600 -0.159 0.000 0.930 123 E CA -2.070 54.219 56.400 -0.186 0.000 0.770 123 E CB 2.621 32.215 29.700 -0.176 0.000 1.104 123 E HN 0.347 8.587 8.360 -0.199 0.000 0.403 124 I N 0.703 121.151 120.570 -0.203 0.000 3.904 124 I HA 0.393 4.429 4.170 -0.224 0.000 0.333 124 I C -0.528 175.418 176.117 -0.286 0.000 1.361 124 I CA -1.431 59.689 61.300 -0.300 0.000 1.116 124 I CB 0.030 37.716 38.000 -0.523 0.000 1.028 124 I HN -0.181 7.908 8.210 -0.203 0.000 0.398 125 G N 0.036 108.755 108.800 -0.135 0.000 2.651 125 G HA2 0.010 4.080 3.960 -0.004 0.000 0.260 125 G HA3 0.010 4.035 3.960 0.073 -0.021 0.260 125 G C 0.118 175.025 174.900 0.012 0.000 1.216 125 G CA -0.950 44.145 45.100 -0.008 0.000 0.913 125 G HN -0.623 7.919 8.290 -0.131 -0.330 0.535 126 E N -1.003 119.240 120.200 0.072 0.000 2.107 126 E HA -0.237 4.163 4.350 0.083 0.000 0.191 126 E C 1.176 177.790 176.600 0.023 0.000 0.982 126 E CA 2.613 59.055 56.400 0.070 0.000 0.809 126 E CB 0.100 29.857 29.700 0.094 0.000 0.756 126 E HN 0.246 9.008 8.360 0.090 -0.349 0.459 127 T N 1.548 116.111 114.554 0.015 0.000 2.884 127 T HA -0.075 4.299 4.350 0.040 0.000 0.298 127 T C -0.439 174.248 174.700 -0.022 0.000 0.998 127 T CA 1.231 63.343 62.100 0.019 0.000 1.124 127 T CB 0.537 69.426 68.868 0.035 0.000 0.931 127 T HN -0.252 7.999 8.240 0.018 0.000 0.531 128 I N 4.011 124.577 120.570 -0.007 0.000 2.556 128 I HA -0.320 3.924 4.170 -0.107 -0.138 0.284 128 I C 0.138 176.263 176.117 0.014 0.000 1.114 128 I CA 0.390 61.670 61.300 -0.032 0.000 1.418 128 I CB 0.137 38.150 38.000 0.020 0.000 1.394 128 I HN 0.306 8.534 8.210 0.031 0.000 0.552 129 A N 8.445 131.249 122.820 -0.028 0.000 2.249 129 A HA 0.112 4.509 4.320 0.010 -0.071 0.281 129 A C -1.462 176.159 177.584 0.061 0.000 1.127 129 A CA -0.470 51.550 52.037 -0.030 0.000 0.833 129 A CB 2.043 20.959 19.000 -0.142 0.000 1.140 129 A HN -0.141 8.277 8.150 -0.073 -0.312 0.502 130 Y N -5.116 115.173 120.300 -0.019 0.000 2.499 130 Y HA 0.322 4.874 4.550 0.003 0.000 0.347 130 Y C -0.610 175.284 175.900 -0.010 0.000 0.987 130 Y CA -2.684 55.415 58.100 -0.001 0.000 1.044 130 Y CB 1.827 40.298 38.460 0.018 0.000 1.245 130 Y HN -0.102 8.236 8.280 -0.327 -0.255 0.461 131 T N 4.339 118.975 114.554 0.137 0.000 2.871 131 T HA -0.432 4.023 4.350 -0.043 -0.130 0.296 131 T C 0.907 175.641 174.700 0.057 0.000 0.998 131 T CA 2.686 64.817 62.100 0.052 0.000 1.162 131 T CB -0.428 68.515 68.868 0.124 0.000 0.947 131 T HN 0.392 8.755 8.240 0.204 0.000 0.536 132 G N 7.685 116.437 108.800 -0.081 0.000 2.176 132 G HA2 -0.436 3.530 3.960 0.011 0.000 0.253 132 G HA3 -0.436 3.459 3.960 -0.108 0.000 0.253 132 G C -0.869 173.945 174.900 -0.144 0.000 0.979 132 G CA -0.103 44.954 45.100 -0.072 0.000 0.641 132 G HN 0.685 8.900 8.290 -0.124 0.000 0.530 133 Q N 0.328 119.849 119.800 -0.464 0.000 2.330 133 Q HA -0.176 3.835 4.340 -0.548 0.000 0.279 133 Q C -0.939 174.858 176.000 -0.339 0.000 1.024 133 Q CA 0.261 55.650 55.803 -0.689 0.000 0.900 133 Q CB 1.040 29.000 28.738 -1.297 0.000 1.221 133 Q HN -0.465 7.407 8.270 -0.531 0.080 0.396 134 V N 5.335 125.126 119.914 -0.205 0.000 2.328 134 V HA 0.596 4.817 4.120 -0.207 -0.225 0.278 134 V C -0.209 175.832 176.094 -0.087 0.000 1.021 134 V CA -1.401 60.795 62.300 -0.173 0.000 0.838 134 V CB -0.252 31.419 31.823 -0.254 0.000 0.999 134 V HN 0.235 8.349 8.190 -0.127 0.000 0.447 135 K N 5.929 126.271 120.400 -0.098 0.000 2.281 135 K HA 0.404 4.713 4.320 -0.017 0.000 0.242 135 K C -1.332 175.265 176.600 -0.004 0.000 0.971 135 K CA -2.452 53.807 56.287 -0.046 0.000 0.834 135 K CB 2.409 34.867 32.500 -0.070 0.000 1.181 135 K HN 0.492 8.667 8.250 -0.125 0.000 0.435 136 Q N 1.625 121.435 119.800 0.016 0.000 2.290 136 Q HA 0.892 5.473 4.340 0.039 -0.217 0.259 136 Q C -0.740 175.286 176.000 0.044 0.000 0.941 136 Q CA -0.941 54.881 55.803 0.031 0.000 0.912 136 Q CB 1.932 30.683 28.738 0.022 0.000 1.244 136 Q HN 0.448 8.726 8.270 0.014 0.000 0.441 137 V N -1.277 118.691 119.914 0.090 0.000 2.962 137 V HA 0.874 5.187 4.120 0.068 -0.152 0.313 137 V C -2.118 174.069 176.094 0.155 0.000 1.099 137 V CA -3.408 58.960 62.300 0.113 0.000 0.971 137 V CB 3.808 35.714 31.823 0.139 0.000 1.028 137 V HN 0.747 9.003 8.190 0.109 0.000 0.430 138 K N 0.495 120.967 120.400 0.120 0.000 2.172 138 K HA 0.410 4.822 4.320 0.154 0.000 0.276 138 K C -0.849 175.853 176.600 0.170 0.000 1.013 138 K CA -1.919 54.450 56.287 0.136 0.000 0.913 138 K CB 1.289 33.832 32.500 0.072 0.000 1.055 138 K HN 0.001 8.301 8.250 0.083 0.000 0.461 139 A N 4.150 127.115 122.820 0.240 0.000 2.363 139 A HA 0.077 4.470 4.320 0.123 0.000 0.270 139 A C -1.502 176.140 177.584 0.098 0.000 1.121 139 A CA 0.097 52.234 52.037 0.167 0.000 0.800 139 A CB 0.627 19.748 19.000 0.201 0.000 1.052 139 A HN 0.649 8.984 8.150 0.308 0.000 0.493 140 L N -0.257 120.995 121.223 0.049 0.000 2.577 140 L HA 0.199 4.572 4.340 0.054 0.000 0.225 140 L C -0.260 176.626 176.870 0.028 0.000 1.053 140 L CA -0.190 54.673 54.840 0.040 0.000 0.866 140 L CB 1.622 43.697 42.059 0.027 0.000 1.132 140 L HN 0.296 8.542 8.230 0.027 0.000 0.486 141 G N -5.153 103.651 108.800 0.008 0.000 2.341 141 G HA2 0.190 4.212 3.960 -0.000 0.000 0.299 141 G HA3 0.190 4.256 3.960 0.020 -0.094 0.299 141 G C -3.236 171.660 174.900 -0.005 0.000 1.274 141 G CA 0.438 45.541 45.100 0.005 0.000 0.853 141 G HN -0.810 7.477 8.290 -0.004 0.000 0.493 142 I N -1.091 119.490 120.570 0.018 0.000 2.785 142 I HA 0.587 4.959 4.170 0.040 -0.179 0.293 142 I C -3.014 173.204 176.117 0.168 0.000 1.446 142 I CA -0.914 60.433 61.300 0.078 0.000 1.028 142 I CB 4.079 42.126 38.000 0.078 0.000 1.349 142 I HN 0.025 8.241 8.210 0.009 0.000 0.438 143 M N 5.160 124.906 119.600 0.243 0.000 2.383 143 M HA 0.438 5.083 4.480 0.276 0.000 0.325 143 M C -1.585 174.965 176.300 0.418 0.000 1.092 143 M CA -1.164 54.319 55.300 0.304 0.000 0.961 143 M CB 4.672 37.403 32.600 0.217 0.000 1.672 143 M HN 0.297 8.708 8.290 0.201 0.000 0.438 144 A N 3.490 126.524 122.820 0.357 0.000 3.015 144 A HA 0.292 4.242 4.320 -0.617 0.000 0.293 144 A C -2.399 175.051 177.584 -0.222 0.000 1.572 144 A CA -1.394 50.519 52.037 -0.207 0.000 1.274 144 A CB -0.604 18.220 19.000 -0.295 0.000 1.156 144 A HN 0.914 9.324 8.150 0.432 0.000 0.562 145 L N 3.258 124.272 121.223 -0.348 0.000 2.410 145 L HA 0.017 3.577 4.340 -1.300 0.000 0.273 145 L C -1.611 174.930 176.870 -0.548 0.000 1.152 145 L CA 0.355 54.740 54.840 -0.758 0.000 0.855 145 L CB 1.245 42.902 42.059 -0.670 0.000 1.129 145 L HN -0.575 7.479 8.230 -0.217 0.046 0.463 146 L N 6.143 127.063 121.223 -0.504 0.000 2.272 146 L HA 0.416 4.768 4.340 -0.306 -0.197 0.284 146 L C -1.345 175.372 176.870 -0.255 0.000 1.045 146 L CA -1.532 53.111 54.840 -0.327 0.000 0.842 146 L CB -0.855 41.049 42.059 -0.257 0.000 1.224 146 L HN 0.563 8.432 8.230 -0.601 0.000 0.430 147 D N 4.306 124.595 120.400 -0.184 0.000 2.412 147 D HA 0.187 4.942 4.640 -0.086 -0.166 0.224 147 D C -0.111 176.146 176.300 -0.073 0.000 1.093 147 D CA -1.471 52.472 54.000 -0.094 0.000 0.850 147 D CB 0.955 41.742 40.800 -0.021 0.000 1.046 147 D HN 0.237 8.494 8.370 -0.187 0.000 0.507 148 E N 6.944 127.099 120.200 -0.074 0.000 2.269 148 E HA -0.420 3.887 4.350 -0.072 0.000 0.223 148 E C -0.228 176.332 176.600 -0.066 0.000 1.244 148 E CA 1.061 57.420 56.400 -0.068 0.000 0.713 148 E CB -1.935 27.731 29.700 -0.057 0.000 1.178 148 E HN 0.656 9.296 8.360 -0.078 -0.326 0.370 149 G N -5.773 102.977 108.800 -0.083 0.000 2.159 149 G HA2 -0.443 3.478 3.960 -0.066 0.000 0.256 149 G HA3 -0.443 3.464 3.960 -0.089 0.000 0.256 149 G C -0.968 173.882 174.900 -0.083 0.000 0.977 149 G CA 0.001 45.053 45.100 -0.081 0.000 0.652 149 G HN 0.523 8.745 8.290 -0.096 0.010 0.531 150 E N -0.184 119.961 120.200 -0.092 0.000 2.256 150 E HA 0.321 4.711 4.350 -0.070 -0.081 0.267 150 E C -0.629 175.889 176.600 -0.137 0.000 0.892 150 E CA -2.041 54.308 56.400 -0.085 0.000 0.775 150 E CB 2.981 32.649 29.700 -0.054 0.000 1.207 150 E HN -0.503 7.636 8.360 -0.097 0.162 0.420 151 T N 4.275 118.750 114.554 -0.132 0.000 2.829 151 T HA -0.174 3.965 4.350 -0.351 0.000 0.293 151 T C -1.260 173.306 174.700 -0.223 0.000 0.970 151 T CA 2.871 64.825 62.100 -0.243 0.000 1.168 151 T CB 0.010 68.775 68.868 -0.171 0.000 0.911 151 T HN 0.532 8.728 8.240 -0.073 0.000 0.535 152 D N 5.954 126.168 120.400 -0.311 0.000 3.060 152 D HA 0.318 4.902 4.640 -0.094 0.000 0.326 152 D C -1.140 175.063 176.300 -0.162 0.000 1.253 152 D CA -1.628 52.268 54.000 -0.174 0.000 0.737 152 D CB 0.644 41.360 40.800 -0.140 0.000 1.260 152 D HN -0.065 8.032 8.370 -0.456 0.000 0.542 153 W N 0.914 122.141 121.300 -0.122 0.000 2.364 153 W HA -0.236 4.557 4.660 -0.066 -0.173 0.343 153 W C -0.294 176.116 176.519 -0.182 0.000 1.237 153 W CA 0.884 58.166 57.345 -0.105 0.000 1.319 153 W CB 0.376 29.794 29.460 -0.070 0.000 1.179 153 W HN -0.707 7.585 8.180 -0.025 -0.127 0.578 154 K N 0.190 120.636 120.400 0.077 0.000 2.507 154 K HA 0.378 4.706 4.320 -0.209 -0.132 0.253 154 K C -0.836 175.698 176.600 -0.109 0.000 0.969 154 K CA -2.132 54.072 56.287 -0.140 0.000 0.908 154 K CB 0.578 32.893 32.500 -0.309 0.000 1.127 154 K HN 0.215 8.580 8.250 0.192 0.000 0.437 155 V N 5.723 125.508 119.914 -0.216 0.000 2.637 155 V HA 0.021 4.188 4.120 -0.130 -0.126 0.296 155 V C -0.731 175.212 176.094 -0.252 0.000 1.046 155 V CA 0.327 62.492 62.300 -0.225 0.000 1.066 155 V CB 0.275 31.895 31.823 -0.338 0.000 0.968 155 V HN 0.478 8.497 8.190 -0.284 0.000 0.483 156 I N 6.262 126.732 120.570 -0.166 0.000 2.321 156 I HA 0.366 4.540 4.170 -0.226 -0.139 0.291 156 I C -1.822 174.222 176.117 -0.122 0.000 0.998 156 I CA -0.666 60.534 61.300 -0.166 0.000 1.227 156 I CB 0.885 38.816 38.000 -0.115 0.000 1.368 156 I HN 0.362 8.400 8.210 -0.116 0.103 0.466 157 A N 7.128 129.863 122.820 -0.143 0.000 2.594 157 A HA 1.059 5.503 4.320 -0.020 -0.137 0.291 157 A C -2.830 174.704 177.584 -0.085 0.000 1.105 157 A CA -2.061 49.934 52.037 -0.071 0.000 0.694 157 A CB 4.462 23.431 19.000 -0.052 0.000 1.291 157 A HN 0.721 8.759 8.150 -0.188 0.000 0.410 158 I N -0.740 119.812 120.570 -0.029 0.000 2.619 158 I HA 0.390 4.657 4.170 -0.068 -0.138 0.292 158 I C -1.981 174.135 176.117 -0.001 0.000 1.100 158 I CA -2.095 59.186 61.300 -0.032 0.000 1.043 158 I CB 4.437 42.433 38.000 -0.007 0.000 1.239 158 I HN 0.064 8.281 8.210 0.011 0.000 0.420 159 D N 8.237 128.629 120.400 -0.013 0.000 2.493 159 D HA -0.033 4.950 4.640 0.004 -0.341 0.240 159 D C 2.200 178.507 176.300 0.012 0.000 1.142 159 D CA 0.793 54.793 54.000 -0.001 0.000 0.872 159 D CB 0.842 41.636 40.800 -0.010 0.000 1.173 159 D HN -0.152 8.515 8.370 -0.030 -0.315 0.467 160 I N 2.550 123.130 120.570 0.016 0.000 2.700 160 I HA -0.318 3.860 4.170 0.014 0.000 0.261 160 I C 0.687 176.810 176.117 0.011 0.000 1.219 160 I CA 2.280 63.588 61.300 0.014 0.000 1.463 160 I CB -0.274 37.732 38.000 0.010 0.000 1.092 160 I HN 0.235 8.456 8.210 0.019 0.000 0.452 161 N N -1.774 116.934 118.700 0.013 0.000 2.412 161 N HA -0.015 4.733 4.740 0.013 0.000 0.184 161 N C -0.603 174.917 175.510 0.016 0.000 1.101 161 N CA 0.825 53.884 53.050 0.015 0.000 0.881 161 N CB 0.220 38.719 38.487 0.020 0.000 0.969 161 N HN -0.254 8.426 8.380 0.014 -0.291 0.459 162 D N 1.359 121.770 120.400 0.018 0.000 2.414 162 D HA 0.034 4.691 4.640 0.029 0.000 0.242 162 D C 0.180 176.489 176.300 0.015 0.000 1.129 162 D CA -1.002 53.014 54.000 0.027 0.000 0.885 162 D CB 1.405 42.232 40.800 0.044 0.000 1.198 162 D HN -0.719 7.491 8.370 0.017 0.170 0.437 163 P HA -0.125 4.290 4.420 -0.009 0.000 0.217 163 P C -0.132 177.145 177.300 -0.038 0.000 1.148 163 P CA 1.750 64.845 63.100 -0.009 0.000 0.828 163 P CB 0.162 31.859 31.700 -0.005 0.000 0.783 164 L N -5.419 115.780 121.223 -0.040 0.000 2.558 164 L HA 0.070 4.301 4.340 -0.181 0.000 0.225 164 L C 1.337 178.158 176.870 -0.083 0.000 1.128 164 L CA -0.131 54.639 54.840 -0.117 0.000 0.868 164 L CB 0.071 42.046 42.059 -0.140 0.000 1.006 164 L HN -0.200 8.341 8.230 -0.001 -0.311 0.454 165 A N 1.147 123.953 122.820 -0.022 0.000 1.917 165 A HA -0.221 4.106 4.320 0.011 0.000 0.219 165 A C -1.242 176.326 177.584 -0.026 0.000 1.182 165 A CA 4.957 56.989 52.037 -0.007 0.000 0.633 165 A CB -3.019 15.984 19.000 0.005 0.000 0.819 165 A HN -0.067 7.908 8.150 -0.009 0.169 0.448 166 P HA -0.193 4.215 4.420 -0.020 0.000 0.219 166 P C 0.474 177.745 177.300 -0.047 0.000 1.146 166 P CA 1.960 65.038 63.100 -0.036 0.000 0.808 166 P CB -0.247 31.431 31.700 -0.036 0.000 0.779 167 K N -5.266 115.066 120.400 -0.113 0.000 2.393 167 K HA -0.069 4.216 4.320 -0.058 0.000 0.193 167 K C -0.638 175.918 176.600 -0.073 0.000 1.026 167 K CA -0.302 55.894 56.287 -0.151 0.000 1.064 167 K CB 0.686 32.907 32.500 -0.465 0.000 0.833 167 K HN -0.464 7.562 8.250 -0.143 0.137 0.521 168 L N -0.112 121.092 121.223 -0.030 0.000 2.272 168 L HA 0.079 4.498 4.340 0.132 0.000 0.284 168 L C -1.687 175.223 176.870 0.067 0.000 1.045 168 L CA -0.130 54.752 54.840 0.070 0.000 0.842 168 L CB -0.197 41.922 42.059 0.101 0.000 1.224 168 L HN -0.696 7.343 8.230 -0.048 0.163 0.430 169 N N 2.486 121.236 118.700 0.082 0.000 2.297 169 N HA 0.263 5.035 4.740 0.054 0.000 0.208 169 N C -1.267 174.282 175.510 0.065 0.000 1.176 169 N CA 0.713 53.801 53.050 0.063 0.000 0.882 169 N CB 3.534 42.052 38.487 0.052 0.000 1.134 169 N HN 0.385 9.162 8.380 0.106 -0.334 0.489 170 D N -2.886 117.559 120.400 0.075 0.000 2.626 170 D HA 0.330 5.004 4.640 0.057 0.000 0.278 170 D C -0.200 176.141 176.300 0.068 0.000 1.211 170 D CA -1.473 52.564 54.000 0.062 0.000 0.903 170 D CB 3.001 43.831 40.800 0.051 0.000 1.408 170 D HN -0.760 7.899 8.370 0.092 -0.233 0.454 171 I N 1.448 122.047 120.570 0.048 0.000 2.361 171 I HA -0.364 3.833 4.170 0.046 0.000 0.251 171 I C 0.683 176.832 176.117 0.054 0.000 1.133 171 I CA 1.997 63.322 61.300 0.041 0.000 1.413 171 I CB 0.417 38.425 38.000 0.013 0.000 1.073 171 I HN 0.389 8.622 8.210 0.039 0.000 0.424 172 E N -1.461 118.769 120.200 0.049 0.000 2.265 172 E HA -0.340 4.031 4.350 0.036 0.000 0.196 172 E C 1.642 178.287 176.600 0.075 0.000 0.996 172 E CA 3.480 59.909 56.400 0.047 0.000 0.832 172 E CB -1.158 28.560 29.700 0.030 0.000 0.756 172 E HN 0.217 8.584 8.360 0.043 0.019 0.491 173 D N -0.917 119.558 120.400 0.125 0.000 2.219 173 D HA -0.156 4.592 4.640 0.179 0.000 0.205 173 D C 1.889 178.370 176.300 0.302 0.000 0.970 173 D CA 2.958 57.093 54.000 0.226 0.000 0.851 173 D CB -0.341 40.631 40.800 0.287 0.000 0.943 173 D HN -0.364 8.037 8.370 0.115 0.037 0.488 174 V N -0.798 119.261 119.914 0.242 0.000 2.343 174 V HA -0.392 4.033 4.120 0.508 0.000 0.247 174 V C 1.898 178.158 176.094 0.277 0.000 1.051 174 V CA 4.470 66.955 62.300 0.308 0.000 1.036 174 V CB -0.477 31.431 31.823 0.142 0.000 0.654 174 V HN -0.547 7.611 8.190 0.173 0.136 0.451 175 E N -0.851 119.433 120.200 0.141 0.000 2.150 175 E HA -0.294 4.123 4.350 0.112 0.000 0.193 175 E C 1.749 178.363 176.600 0.022 0.000 0.985 175 E CA 2.659 59.111 56.400 0.086 0.000 0.814 175 E CB -0.562 29.163 29.700 0.042 0.000 0.752 175 E HN -0.001 8.426 8.360 0.112 0.000 0.466 176 K N -1.613 118.761 120.400 -0.043 0.000 2.097 176 K HA -0.228 3.953 4.320 -0.232 0.000 0.205 176 K C 1.776 178.107 176.600 -0.449 0.000 1.050 176 K CA 2.658 58.776 56.287 -0.281 0.000 0.938 176 K CB 0.210 32.471 32.500 -0.398 0.000 0.718 176 K HN -0.748 7.395 8.250 0.015 0.115 0.442 177 Y N -6.394 113.890 120.300 -0.027 0.000 2.498 177 Y HA 0.009 4.437 4.550 -0.204 0.000 0.259 177 Y C 0.186 175.834 175.900 -0.419 0.000 1.086 177 Y CA 1.154 59.112 58.100 -0.236 0.000 1.287 177 Y CB 2.102 40.360 38.460 -0.338 0.000 1.146 177 Y HN -0.709 7.621 8.280 0.083 0.000 0.523 178 F N -2.487 117.546 119.950 0.139 0.000 2.597 178 F HA 0.502 5.089 4.527 0.099 0.000 0.336 178 F C -2.265 173.573 175.800 0.062 0.000 1.432 178 F CA -3.113 54.946 58.000 0.098 0.000 1.120 178 F CB -0.201 38.856 39.000 0.095 0.000 1.253 178 F HN -0.053 8.421 8.300 0.288 0.000 0.546 179 P HA -0.234 4.466 4.420 0.088 -0.227 0.264 179 P C 0.834 178.200 177.300 0.109 0.000 1.193 179 P CA 0.923 64.079 63.100 0.093 0.000 0.763 179 P CB -0.502 31.222 31.700 0.040 0.000 0.810 180 G N 2.640 111.497 108.800 0.095 0.000 2.217 180 G HA2 -0.481 3.533 3.960 0.091 0.000 0.246 180 G HA3 -0.481 3.524 3.960 0.075 0.000 0.246 180 G C 0.670 175.635 174.900 0.107 0.000 0.990 180 G CA 0.288 45.443 45.100 0.092 0.000 0.627 180 G HN 0.224 8.830 8.290 0.085 -0.265 0.522 181 L N 1.675 122.977 121.223 0.131 0.000 2.056 181 L HA -0.184 4.220 4.340 0.107 0.000 0.207 181 L C 0.663 177.591 176.870 0.096 0.000 1.078 181 L CA 3.191 58.100 54.840 0.116 0.000 0.749 181 L CB -0.124 42.011 42.059 0.125 0.000 0.901 181 L HN -0.447 7.796 8.230 0.155 0.080 0.433 182 L N -2.620 118.650 121.223 0.078 0.000 2.056 182 L HA -0.434 3.937 4.340 0.052 0.000 0.207 182 L C 2.126 179.016 176.870 0.034 0.000 1.078 182 L CA 3.210 58.078 54.840 0.046 0.000 0.749 182 L CB -0.966 41.105 42.059 0.020 0.000 0.901 182 L HN -0.112 8.169 8.230 0.085 0.000 0.433 183 R N -0.869 119.656 120.500 0.041 0.000 2.081 183 R HA -0.412 3.932 4.340 0.006 0.000 0.235 183 R C 1.815 178.161 176.300 0.078 0.000 1.131 183 R CA 3.382 59.505 56.100 0.039 0.000 0.960 183 R CB -0.388 29.940 30.300 0.047 0.000 0.856 183 R HN -0.049 8.250 8.270 0.049 0.000 0.436 184 A N -2.151 120.734 122.820 0.107 0.000 1.969 184 A HA -0.194 4.241 4.320 0.192 0.000 0.218 184 A C 1.900 179.546 177.584 0.104 0.000 1.169 184 A CA 3.038 55.161 52.037 0.143 0.000 0.635 184 A CB -0.702 18.402 19.000 0.173 0.000 0.810 184 A HN -0.195 8.016 8.150 0.100 0.000 0.445 185 T N 1.190 115.826 114.554 0.136 0.000 2.737 185 T HA -0.435 4.086 4.350 0.286 0.000 0.265 185 T C 1.816 176.724 174.700 0.347 0.000 1.038 185 T CA 5.076 67.338 62.100 0.270 0.000 1.144 185 T CB -0.565 68.472 68.868 0.282 0.000 0.866 185 T HN -0.211 7.992 8.240 0.121 0.110 0.434 186 N N 1.687 120.466 118.700 0.132 0.000 2.043 186 N HA -0.390 4.290 4.740 -0.100 0.000 0.193 186 N C 1.733 177.412 175.510 0.281 0.000 1.037 186 N CA 3.955 57.016 53.050 0.018 0.000 0.851 186 N CB 0.111 38.458 38.487 -0.233 0.000 1.027 186 N HN -0.361 8.053 8.380 0.057 0.000 0.422 187 E N 1.238 121.558 120.200 0.201 0.000 2.058 187 E HA -0.349 4.118 4.350 0.196 0.000 0.194 187 E C 1.781 178.502 176.600 0.202 0.000 0.997 187 E CA 2.988 59.511 56.400 0.205 0.000 0.801 187 E CB -0.116 29.704 29.700 0.201 0.000 0.746 187 E HN -0.516 7.937 8.360 0.154 0.000 0.450 188 W N 0.278 121.534 121.300 -0.073 0.000 2.333 188 W HA -0.384 4.112 4.660 -0.275 0.000 0.316 188 W C 1.858 178.216 176.519 -0.268 0.000 1.215 188 W CA 4.004 61.154 57.345 -0.325 0.000 1.278 188 W CB 0.115 29.181 29.460 -0.658 0.000 1.154 188 W HN -0.051 8.268 8.180 0.232 0.000 0.486 189 F N -5.252 114.963 119.950 0.442 0.000 2.407 189 F HA -0.335 4.345 4.527 0.256 0.000 0.299 189 F C 1.649 177.632 175.800 0.304 0.000 1.097 189 F CA 3.401 61.614 58.000 0.355 0.000 1.422 189 F CB -0.203 39.002 39.000 0.340 0.000 1.067 189 F HN -0.672 7.958 8.300 0.550 0.000 0.539 190 R N -0.548 120.200 120.500 0.414 0.000 2.075 190 R HA -0.344 4.121 4.340 0.208 0.000 0.232 190 R C 1.425 177.789 176.300 0.106 0.000 1.126 190 R CA 3.506 59.752 56.100 0.244 0.000 0.963 190 R CB 0.742 31.189 30.300 0.245 0.000 0.858 190 R HN -0.605 7.830 8.270 0.463 0.112 0.435 191 I N -5.258 115.336 120.570 0.040 0.000 4.057 191 I HA 0.235 4.366 4.170 -0.065 0.000 0.334 191 I C 0.810 176.802 176.117 -0.208 0.000 1.308 191 I CA 0.629 61.886 61.300 -0.072 0.000 1.125 191 I CB 0.682 38.650 38.000 -0.053 0.000 1.034 191 I HN -0.439 7.801 8.210 0.050 0.000 0.401 192 Y N 0.223 120.208 120.300 -0.525 0.000 2.333 192 Y HA -0.155 3.916 4.550 -0.798 0.000 0.290 192 Y C -0.513 175.096 175.900 -0.485 0.000 1.144 192 Y CA 0.424 58.054 58.100 -0.783 0.000 1.228 192 Y CB -0.986 36.568 38.460 -1.510 0.000 0.985 192 Y HN -0.639 7.645 8.280 0.006 0.000 0.542 193 K N -2.572 117.346 120.400 -0.802 0.000 2.358 193 K HA 0.046 4.019 4.320 -0.578 0.000 0.197 193 K C 0.782 177.152 176.600 -0.384 0.000 1.025 193 K CA -0.626 55.279 56.287 -0.636 0.000 1.104 193 K CB -0.196 31.862 32.500 -0.736 0.000 0.855 193 K HN -0.355 7.397 8.250 -0.779 0.030 0.531 194 I N 1.965 122.350 120.570 -0.308 0.000 2.264 194 I HA -0.154 4.098 4.170 -0.184 -0.193 0.248 194 I C -0.068 175.905 176.117 -0.240 0.000 1.111 194 I CA 5.373 66.545 61.300 -0.213 0.000 1.382 194 I CB -1.867 36.046 38.000 -0.145 0.000 1.060 194 I HN -0.322 7.544 8.210 -0.315 0.156 0.418 195 P HA -0.157 4.015 4.420 -0.413 0.000 0.225 195 P C -0.162 176.935 177.300 -0.338 0.000 1.148 195 P CA 1.622 64.421 63.100 -0.502 0.000 0.779 195 P CB -0.427 30.632 31.700 -1.069 0.000 0.780 196 D N -5.020 115.217 120.400 -0.272 0.000 2.339 196 D HA 0.114 4.663 4.640 -0.151 0.000 0.217 196 D C 0.555 176.774 176.300 -0.134 0.000 1.050 196 D CA -0.103 53.788 54.000 -0.182 0.000 0.856 196 D CB 0.564 41.253 40.800 -0.185 0.000 0.922 196 D HN -0.485 7.533 8.370 -0.301 0.172 0.518 197 G N -1.867 106.853 108.800 -0.134 0.000 2.175 197 G HA2 -0.397 3.517 3.960 -0.075 0.000 0.244 197 G HA3 -0.397 3.515 3.960 -0.080 0.000 0.244 197 G C -0.138 174.703 174.900 -0.098 0.000 0.982 197 G CA 0.064 45.108 45.100 -0.094 0.000 0.641 197 G HN -0.310 7.703 8.290 -0.160 0.180 0.527 198 K N 2.007 122.327 120.400 -0.135 0.000 2.154 198 K HA 0.341 4.597 4.320 -0.106 0.000 0.264 198 K C -1.621 174.912 176.600 -0.112 0.000 1.008 198 K CA -2.643 53.565 56.287 -0.130 0.000 0.937 198 K CB -0.255 32.136 32.500 -0.183 0.000 1.002 198 K HN -0.620 7.482 8.250 -0.166 0.048 0.469 199 P HA -0.129 4.253 4.420 -0.062 0.000 0.270 199 P C -0.894 176.358 177.300 -0.080 0.000 1.223 199 P CA -0.463 62.594 63.100 -0.071 0.000 0.785 199 P CB 0.614 32.279 31.700 -0.057 0.000 0.923 200 E N 0.826 120.993 120.200 -0.056 0.000 2.442 200 E HA -0.365 4.103 4.350 -0.048 -0.147 0.262 200 E C 0.428 177.006 176.600 -0.037 0.000 1.004 200 E CA 0.817 57.195 56.400 -0.038 0.000 0.928 200 E CB 0.695 30.390 29.700 -0.007 0.000 0.937 200 E HN 0.097 8.430 8.360 -0.046 0.000 0.446 201 N N 3.997 122.683 118.700 -0.023 0.000 2.379 201 N HA 0.069 4.764 4.740 -0.075 0.000 0.260 201 N C -1.347 174.139 175.510 -0.040 0.000 1.254 201 N CA 0.192 53.211 53.050 -0.053 0.000 0.958 201 N CB 1.637 40.093 38.487 -0.052 0.000 1.208 201 N HN -0.279 8.099 8.380 -0.004 0.000 0.532 202 Q N -3.984 115.742 119.800 -0.123 0.000 2.495 202 Q HA 0.336 4.710 4.340 0.057 0.000 0.287 202 Q C -1.630 174.233 176.000 -0.228 0.000 1.078 202 Q CA -1.459 54.304 55.803 -0.066 0.000 0.793 202 Q CB 3.512 32.216 28.738 -0.057 0.000 1.459 202 Q HN -0.323 7.833 8.270 -0.191 0.000 0.422 203 F N -1.388 118.529 119.950 -0.055 0.000 2.546 203 F HA 0.744 5.360 4.527 -0.131 -0.168 0.320 203 F C 0.482 176.186 175.800 -0.159 0.000 1.076 203 F CA -1.600 56.343 58.000 -0.095 0.000 0.928 203 F CB 3.732 42.714 39.000 -0.029 0.000 1.189 203 F HN 0.235 8.682 8.300 0.246 0.000 0.465 204 A N 1.822 124.574 122.820 -0.112 0.000 2.346 204 A HA 0.060 4.181 4.320 -0.333 0.000 0.252 204 A C -0.326 177.121 177.584 -0.229 0.000 1.089 204 A CA -0.284 51.513 52.037 -0.400 0.000 0.797 204 A CB 0.952 19.434 19.000 -0.863 0.000 1.047 204 A HN 0.181 8.235 8.150 -0.159 0.000 0.494 205 F N -5.595 114.376 119.950 0.034 0.000 3.093 205 F HA -0.415 4.122 4.527 0.018 0.000 0.287 205 F C -0.062 175.745 175.800 0.012 0.000 0.882 205 F CA 0.227 58.238 58.000 0.018 0.000 1.063 205 F CB -2.531 36.465 39.000 -0.006 0.000 1.097 205 F HN 0.646 8.598 8.300 -0.581 0.000 0.604 206 S N -2.656 113.114 115.700 0.118 0.000 3.533 206 S HA -0.376 4.137 4.470 0.072 0.000 0.347 206 S C 0.963 175.595 174.600 0.053 0.000 1.101 206 S CA 1.258 59.507 58.200 0.082 0.000 1.009 206 S CB -1.081 62.159 63.200 0.066 0.000 0.916 206 S HN 0.422 8.736 8.310 0.062 0.033 0.496 207 G N -2.709 106.129 108.800 0.063 0.000 2.159 207 G HA2 -0.504 3.285 3.960 -0.284 0.000 0.256 207 G HA3 -0.504 3.279 3.960 -0.295 0.000 0.256 207 G C -0.953 173.859 174.900 -0.146 0.000 0.977 207 G CA -0.067 44.925 45.100 -0.180 0.000 0.652 207 G HN -0.374 7.966 8.290 0.147 0.039 0.531 208 E N 0.954 121.162 120.200 0.013 0.000 2.452 208 E HA -0.194 4.131 4.350 -0.042 0.000 0.261 208 E C -0.879 175.701 176.600 -0.033 0.000 0.987 208 E CA 0.228 56.620 56.400 -0.014 0.000 0.926 208 E CB 0.944 30.645 29.700 0.003 0.000 0.934 208 E HN -0.530 7.708 8.360 0.092 0.177 0.452 209 A N 6.136 128.920 122.820 -0.061 0.000 2.310 209 A HA 0.033 4.481 4.320 -0.022 -0.142 0.300 209 A C -0.242 177.287 177.584 -0.092 0.000 1.269 209 A CA -0.588 51.418 52.037 -0.051 0.000 0.909 209 A CB 0.355 19.331 19.000 -0.041 0.000 1.144 209 A HN 0.201 8.314 8.150 -0.063 0.000 0.540 210 K N 3.823 124.132 120.400 -0.153 0.000 2.276 210 K HA -0.059 4.082 4.320 -0.298 0.000 0.259 210 K C 0.080 176.616 176.600 -0.107 0.000 1.001 210 K CA -1.229 54.891 56.287 -0.279 0.000 0.927 210 K CB 0.990 33.060 32.500 -0.717 0.000 0.969 210 K HN -0.080 8.102 8.250 -0.113 0.000 0.490 211 N N 0.600 119.266 118.700 -0.057 0.000 2.366 211 N HA -0.030 4.710 4.740 0.001 0.000 0.277 211 N C 0.886 176.428 175.510 0.053 0.000 1.275 211 N CA -0.153 52.902 53.050 0.008 0.000 0.964 211 N CB 0.687 39.181 38.487 0.012 0.000 1.167 211 N HN -0.048 8.281 8.380 -0.085 0.000 0.568 212 K N 0.131 120.561 120.400 0.051 0.000 2.057 212 K HA -0.432 3.924 4.320 0.059 0.000 0.207 212 K C 1.729 178.369 176.600 0.068 0.000 1.049 212 K CA 4.554 60.877 56.287 0.061 0.000 0.931 212 K CB 0.087 32.624 32.500 0.061 0.000 0.714 212 K HN 0.092 8.695 8.250 0.044 -0.327 0.440 213 K N -0.875 119.564 120.400 0.064 0.000 2.032 213 K HA -0.324 4.019 4.320 0.038 0.000 0.209 213 K C 2.087 178.714 176.600 0.044 0.000 1.048 213 K CA 3.172 59.488 56.287 0.049 0.000 0.927 213 K CB -0.462 32.063 32.500 0.042 0.000 0.712 213 K HN -0.203 8.137 8.250 0.059 -0.054 0.441 214 Y N -0.368 119.898 120.300 -0.058 0.000 2.145 214 Y HA -0.363 4.133 4.550 -0.090 0.000 0.286 214 Y C 1.489 177.302 175.900 -0.144 0.000 1.145 214 Y CA 3.248 61.289 58.100 -0.097 0.000 1.148 214 Y CB 0.006 38.401 38.460 -0.109 0.000 0.981 214 Y HN -0.574 8.085 8.280 0.188 -0.267 0.507 215 A N -0.955 121.936 122.820 0.117 0.000 1.908 215 A HA -0.386 3.896 4.320 -0.064 0.000 0.218 215 A C 1.985 179.517 177.584 -0.087 0.000 1.181 215 A CA 3.139 55.165 52.037 -0.018 0.000 0.627 215 A CB -0.939 18.062 19.000 0.003 0.000 0.818 215 A HN -0.097 8.144 8.150 0.152 0.000 0.445 216 L N -2.635 118.578 121.223 -0.016 0.000 2.079 216 L HA -0.520 3.854 4.340 0.058 0.000 0.210 216 L C 2.242 179.088 176.870 -0.040 0.000 1.081 216 L CA 3.117 57.972 54.840 0.025 0.000 0.752 216 L CB -0.778 41.334 42.059 0.088 0.000 0.896 216 L HN 0.159 8.399 8.230 0.017 0.000 0.433 217 D N -0.226 120.101 120.400 -0.122 0.000 2.117 217 D HA -0.233 4.350 4.640 -0.096 0.000 0.198 217 D C 2.748 178.914 176.300 -0.223 0.000 0.982 217 D CA 3.331 57.229 54.000 -0.170 0.000 0.828 217 D CB -0.437 40.208 40.800 -0.258 0.000 0.967 217 D HN -0.686 7.594 8.370 -0.131 0.011 0.464 218 I N -0.359 119.995 120.570 -0.360 0.000 2.252 218 I HA -0.353 3.569 4.170 -0.413 0.000 0.245 218 I C 2.210 178.150 176.117 -0.295 0.000 1.102 218 I CA 1.790 62.812 61.300 -0.463 0.000 1.385 218 I CB -0.855 36.605 38.000 -0.900 0.000 1.064 218 I HN -0.585 7.389 8.210 -0.392 0.000 0.414 219 I N 0.521 120.954 120.570 -0.229 0.000 2.163 219 I HA -0.601 3.480 4.170 -0.149 0.000 0.243 219 I C 2.332 178.427 176.117 -0.036 0.000 1.085 219 I CA 4.500 65.708 61.300 -0.155 0.000 1.347 219 I CB -0.261 37.590 38.000 -0.248 0.000 1.044 219 I HN 0.147 8.215 8.210 -0.237 0.000 0.408 220 K N 0.113 120.522 120.400 0.016 0.000 2.074 220 K HA -0.487 3.954 4.320 0.201 0.000 0.209 220 K C 2.107 178.782 176.600 0.125 0.000 1.048 220 K CA 3.934 60.293 56.287 0.121 0.000 0.926 220 K CB -0.287 32.276 32.500 0.105 0.000 0.713 220 K HN -0.165 8.077 8.250 -0.013 0.000 0.444 221 E N -2.120 118.103 120.200 0.038 0.000 2.058 221 E HA -0.354 4.043 4.350 0.079 0.000 0.194 221 E C 2.348 179.015 176.600 0.112 0.000 0.997 221 E CA 3.131 59.565 56.400 0.056 0.000 0.801 221 E CB -0.057 29.641 29.700 -0.004 0.000 0.746 221 E HN -0.307 8.039 8.360 -0.022 0.000 0.450 222 T N -1.178 113.429 114.554 0.087 0.000 2.867 222 T HA -0.228 4.323 4.350 0.173 -0.097 0.268 222 T C 1.734 176.622 174.700 0.313 0.000 1.057 222 T CA 3.943 66.142 62.100 0.165 0.000 1.136 222 T CB -0.190 68.739 68.868 0.101 0.000 0.874 222 T HN -0.284 7.968 8.240 0.021 0.000 0.466 223 H N 4.194 123.363 119.070 0.164 0.000 2.357 223 H HA -0.083 4.847 4.556 0.268 -0.213 0.301 223 H C 2.046 177.575 175.328 0.334 0.000 1.082 223 H CA 3.720 59.910 56.048 0.235 0.000 1.342 223 H CB -0.024 29.823 29.762 0.141 0.000 1.389 223 H HN -0.180 8.194 8.280 0.288 0.079 0.511 224 D N -1.344 119.187 120.400 0.217 0.000 2.144 224 D HA -0.310 4.360 4.640 0.050 0.000 0.199 224 D C 2.474 178.877 176.300 0.171 0.000 0.984 224 D CA 3.376 57.452 54.000 0.126 0.000 0.834 224 D CB -0.694 40.175 40.800 0.115 0.000 0.955 224 D HN -0.081 8.440 8.370 0.252 0.000 0.465 225 S N 0.803 116.660 115.700 0.262 0.000 2.368 225 S HA -0.221 4.423 4.470 0.289 0.000 0.225 225 S C 1.349 176.217 174.600 0.448 0.000 1.030 225 S CA 3.265 61.679 58.200 0.357 0.000 0.999 225 S CB -0.056 63.376 63.200 0.386 0.000 0.844 225 S HN -0.337 8.119 8.310 0.263 0.011 0.459 226 W N 1.677 123.145 121.300 0.279 0.000 2.363 226 W HA -0.352 4.395 4.660 0.145 0.000 0.296 226 W C 0.954 177.468 176.519 -0.008 0.000 1.212 226 W CA 3.968 61.410 57.345 0.162 0.000 1.260 226 W CB 0.235 29.833 29.460 0.231 0.000 1.131 226 W HN -0.453 8.092 8.180 0.608 0.000 0.530 227 K N -1.980 118.396 120.400 -0.040 0.000 2.059 227 K HA -0.618 3.382 4.320 -0.533 0.000 0.212 227 K C 2.337 178.736 176.600 -0.336 0.000 1.050 227 K CA 3.653 59.764 56.287 -0.294 0.000 0.927 227 K CB -0.639 31.796 32.500 -0.108 0.000 0.714 227 K HN -0.202 8.159 8.250 0.186 0.000 0.447 228 Q N -0.965 118.742 119.800 -0.154 0.000 2.046 228 Q HA -0.267 3.999 4.340 -0.123 0.000 0.200 228 Q C 2.185 178.058 176.000 -0.212 0.000 0.975 228 Q CA 2.887 58.622 55.803 -0.114 0.000 0.836 228 Q CB 0.080 28.836 28.738 0.030 0.000 0.896 228 Q HN -0.734 7.504 8.270 -0.052 0.000 0.428 229 L N 0.223 121.284 121.223 -0.270 0.000 1.989 229 L HA -0.327 3.782 4.340 -0.385 0.000 0.211 229 L C 2.514 179.012 176.870 -0.621 0.000 1.071 229 L CA 3.264 57.806 54.840 -0.496 0.000 0.749 229 L CB -0.205 41.378 42.059 -0.793 0.000 0.890 229 L HN -0.337 7.796 8.230 -0.161 0.000 0.431 230 I N -1.972 118.069 120.570 -0.882 0.000 2.676 230 I HA -0.331 3.345 4.170 -0.824 0.000 0.259 230 I C 0.248 176.034 176.117 -0.552 0.000 1.194 230 I CA 0.714 61.484 61.300 -0.883 0.000 1.473 230 I CB 0.024 37.221 38.000 -1.338 0.000 1.096 230 I HN 0.065 7.654 8.210 -1.036 0.000 0.443 231 A N -3.943 118.606 122.820 -0.452 0.000 2.239 231 A HA -0.115 4.047 4.320 -0.264 0.000 0.209 231 A C -0.109 177.343 177.584 -0.221 0.000 1.171 231 A CA 0.281 52.147 52.037 -0.284 0.000 0.768 231 A CB 0.359 19.223 19.000 -0.227 0.000 0.790 231 A HN -0.735 7.092 8.150 -0.496 0.025 0.478 232 G N -2.833 105.818 108.800 -0.248 0.000 2.160 232 G HA2 -0.342 3.526 3.960 -0.154 0.000 0.251 232 G HA3 -0.342 3.501 3.960 -0.196 0.000 0.251 232 G C 0.194 175.019 174.900 -0.125 0.000 1.008 232 G CA 0.707 45.699 45.100 -0.180 0.000 0.724 232 G HN -0.389 7.517 8.290 -0.319 0.193 0.514 233 K N -1.814 118.511 120.400 -0.124 0.000 2.414 233 K HA 0.121 4.407 4.320 -0.057 0.000 0.204 233 K C -0.851 175.735 176.600 -0.023 0.000 1.026 233 K CA -1.301 54.945 56.287 -0.068 0.000 1.108 233 K CB 0.875 33.333 32.500 -0.069 0.000 0.855 233 K HN -0.212 7.919 8.250 -0.163 0.022 0.517 234 S N -0.837 114.854 115.700 -0.015 0.000 2.585 234 S HA -0.073 4.597 4.470 0.114 -0.132 0.273 234 S C 1.363 176.002 174.600 0.065 0.000 1.339 234 S CA -0.764 57.486 58.200 0.083 0.000 1.028 234 S CB 1.088 64.395 63.200 0.179 0.000 0.906 234 S HN -0.410 7.859 8.310 -0.068 0.000 0.528 235 S N 3.875 119.627 115.700 0.086 0.000 2.474 235 S HA -0.058 4.435 4.470 0.038 0.000 0.235 235 S C -0.327 174.316 174.600 0.072 0.000 0.997 235 S CA 1.582 59.818 58.200 0.060 0.000 0.949 235 S CB 0.014 63.245 63.200 0.051 0.000 0.766 235 S HN 0.237 8.609 8.310 0.105 0.000 0.517 236 D N 0.880 121.353 120.400 0.122 0.000 2.300 236 D HA 0.125 4.816 4.640 0.085 0.000 0.218 236 D C -1.036 175.391 176.300 0.212 0.000 1.326 236 D CA 0.060 54.136 54.000 0.128 0.000 0.942 236 D CB 1.375 42.243 40.800 0.115 0.000 1.495 236 D HN -0.610 7.809 8.370 0.165 0.051 0.545 237 S N 1.697 117.464 115.700 0.110 0.000 2.631 237 S HA -0.044 4.484 4.470 0.096 0.000 0.217 237 S C 0.671 175.342 174.600 0.118 0.000 0.958 237 S CA 0.695 58.927 58.200 0.053 0.000 0.920 237 S CB 0.058 63.182 63.200 -0.128 0.000 0.776 237 S HN 0.242 8.587 8.310 0.058 0.000 0.517 238 K N -1.012 119.480 120.400 0.153 0.000 3.069 238 K HA -0.339 4.059 4.320 0.130 0.000 0.267 238 K C -0.135 176.533 176.600 0.113 0.000 1.082 238 K CA 0.736 57.118 56.287 0.158 0.000 0.782 238 K CB -2.882 29.766 32.500 0.246 0.000 1.230 238 K HN -0.090 8.437 8.250 0.137 -0.194 0.488 239 G N -4.593 104.248 108.800 0.067 0.000 2.166 239 G HA2 -0.416 3.578 3.960 0.056 0.000 0.260 239 G HA3 -0.416 3.562 3.960 0.030 0.000 0.260 239 G C 0.170 175.101 174.900 0.052 0.000 0.986 239 G CA 0.486 45.616 45.100 0.049 0.000 0.683 239 G HN 0.090 8.388 8.290 0.055 0.025 0.527 240 I N -0.179 120.421 120.570 0.051 0.000 2.710 240 I HA -0.446 3.907 4.170 0.114 -0.114 0.286 240 I C -0.307 175.819 176.117 0.014 0.000 1.181 240 I CA 1.192 62.528 61.300 0.060 0.000 1.430 240 I CB 0.202 38.218 38.000 0.028 0.000 1.367 240 I HN -0.431 7.749 8.210 0.050 0.060 0.577 241 D N 6.486 126.926 120.400 0.067 0.000 2.338 241 D HA -0.055 4.590 4.640 0.009 0.000 0.255 241 D C -0.792 175.546 176.300 0.063 0.000 1.237 241 D CA -0.113 53.918 54.000 0.051 0.000 0.883 241 D CB 0.200 41.048 40.800 0.081 0.000 1.087 241 D HN 0.124 8.559 8.370 0.109 0.000 0.485 242 L N 4.846 126.011 121.223 -0.096 0.000 2.653 242 L HA 0.126 4.111 4.340 -0.591 0.000 0.231 242 L C 0.264 177.000 176.870 -0.224 0.000 1.153 242 L CA -0.937 53.691 54.840 -0.353 0.000 0.933 242 L CB 0.255 42.052 42.059 -0.438 0.000 1.175 242 L HN 0.002 8.175 8.230 -0.095 0.000 0.473 243 T N 3.159 117.694 114.554 -0.031 0.000 2.902 243 T HA -0.126 4.427 4.350 -0.023 -0.217 0.301 243 T C -0.553 174.204 174.700 0.095 0.000 1.012 243 T CA 2.448 64.556 62.100 0.013 0.000 1.151 243 T CB 0.349 69.235 68.868 0.030 0.000 0.946 243 T HN -0.473 7.989 8.240 0.002 -0.220 0.542 244 N N 3.403 122.148 118.700 0.075 0.000 2.610 244 N HA 0.210 5.144 4.740 0.183 -0.084 0.264 244 N C -1.137 174.436 175.510 0.106 0.000 1.348 244 N CA -0.665 52.477 53.050 0.153 0.000 0.819 244 N CB 3.533 42.145 38.487 0.209 0.000 1.521 244 N HN -0.240 8.161 8.380 0.035 0.000 0.497 245 V N -5.851 114.147 119.914 0.140 0.000 3.477 245 V HA 0.594 4.645 4.120 -0.114 0.000 0.297 245 V C -0.304 175.963 176.094 0.289 0.000 1.433 245 V CA -0.018 62.327 62.300 0.075 0.000 1.052 245 V CB 0.443 32.278 31.823 0.020 0.000 0.895 245 V HN 0.395 9.174 8.190 0.176 -0.484 0.438 246 T N -3.743 111.020 114.554 0.348 0.000 3.058 246 T HA 0.101 4.635 4.350 0.308 0.000 0.278 246 T C -0.289 174.533 174.700 0.202 0.000 0.974 246 T CA -0.229 62.044 62.100 0.289 0.000 0.893 246 T CB 1.685 70.675 68.868 0.204 0.000 1.138 246 T HN -0.374 8.340 8.240 0.323 -0.280 0.529 247 L N 3.569 124.910 121.223 0.197 0.000 2.435 247 L HA 0.612 4.944 4.340 -0.014 0.000 0.253 247 L C -1.524 175.162 176.870 -0.307 0.000 1.087 247 L CA -2.994 51.849 54.840 0.006 0.000 0.950 247 L CB -0.141 41.975 42.059 0.094 0.000 1.304 247 L HN -0.562 8.115 8.230 0.377 -0.221 0.453 248 P HA -0.025 2.877 4.420 -2.530 0.000 0.230 248 P C -0.592 176.394 177.300 -0.524 0.000 1.158 248 P CA 1.188 63.568 63.100 -1.200 0.000 0.769 248 P CB 0.195 31.391 31.700 -0.839 0.000 0.807 249 D N -3.129 117.098 120.400 -0.289 0.000 2.328 249 D HA 0.114 4.661 4.640 -0.155 0.000 0.221 249 D C 0.581 176.803 176.300 -0.130 0.000 1.072 249 D CA -0.047 53.853 54.000 -0.167 0.000 0.850 249 D CB -0.180 40.545 40.800 -0.124 0.000 0.922 249 D HN -0.149 8.006 8.370 -0.267 0.055 0.516 250 T N -0.752 113.727 114.554 -0.124 0.000 2.907 250 T HA 0.461 4.733 4.350 -0.130 0.000 0.284 250 T C -0.137 174.532 174.700 -0.053 0.000 1.004 250 T CA -2.734 59.302 62.100 -0.107 0.000 1.063 250 T CB 1.436 70.227 68.868 -0.128 0.000 0.992 250 T HN -0.623 7.455 8.240 -0.147 0.073 0.483 251 P HA 0.088 4.490 4.420 -0.030 0.000 0.226 251 P C 0.002 177.286 177.300 -0.027 0.000 1.153 251 P CA 1.646 64.717 63.100 -0.049 0.000 0.777 251 P CB -0.016 31.639 31.700 -0.074 0.000 0.794 252 T N -5.414 109.117 114.554 -0.039 0.000 3.176 252 T HA 0.083 4.416 4.350 -0.029 0.000 0.263 252 T C -1.360 173.357 174.700 0.029 0.000 1.021 252 T CA -1.354 60.725 62.100 -0.035 0.000 0.905 252 T CB -0.167 68.637 68.868 -0.106 0.000 1.057 252 T HN -0.275 7.870 8.240 -0.066 0.055 0.558 253 Y N 5.269 125.531 120.300 -0.062 0.000 2.620 253 Y HA -0.088 4.623 4.550 -0.021 -0.173 0.330 253 Y C -0.672 175.218 175.900 -0.017 0.000 1.186 253 Y CA 0.754 58.835 58.100 -0.030 0.000 1.467 253 Y CB 0.278 38.723 38.460 -0.026 0.000 1.262 253 Y HN -0.729 7.591 8.280 0.177 0.065 0.550 254 S N 6.298 121.705 115.700 -0.488 0.000 2.387 254 S HA 0.194 4.399 4.470 -0.441 0.000 0.211 254 S C -0.645 173.692 174.600 -0.439 0.000 1.055 254 S CA -0.294 57.655 58.200 -0.419 0.000 1.133 254 S CB 0.623 63.718 63.200 -0.174 0.000 1.235 254 S HN 0.607 8.639 8.310 -0.463 0.000 0.425 255 K N 6.405 126.461 120.400 -0.574 0.000 2.209 255 K HA -0.319 3.820 4.320 -0.300 0.000 0.204 255 K C 1.570 178.070 176.600 -0.167 0.000 1.048 255 K CA 2.923 59.015 56.287 -0.325 0.000 0.940 255 K CB -0.078 32.282 32.500 -0.233 0.000 0.729 255 K HN 0.480 8.295 8.250 -0.726 0.000 0.451 256 A N -1.921 120.811 122.820 -0.146 0.000 2.125 256 A HA -0.101 4.338 4.320 -0.076 -0.165 0.219 256 A C 1.159 178.697 177.584 -0.076 0.000 1.156 256 A CA 2.048 54.031 52.037 -0.090 0.000 0.671 256 A CB -0.817 18.139 19.000 -0.074 0.000 0.794 256 A HN 0.152 8.171 8.150 -0.174 0.026 0.459 257 A N -2.152 120.619 122.820 -0.083 0.000 1.978 257 A HA -0.342 3.951 4.320 -0.044 0.000 0.220 257 A C 1.757 179.310 177.584 -0.050 0.000 1.170 257 A CA 2.487 54.493 52.037 -0.052 0.000 0.636 257 A CB -0.808 18.172 19.000 -0.034 0.000 0.810 257 A HN -0.470 7.566 8.150 -0.111 0.048 0.448 258 S N -2.163 113.505 115.700 -0.053 0.000 2.356 258 S HA -0.275 4.163 4.470 -0.052 0.000 0.223 258 S C 2.139 176.694 174.600 -0.074 0.000 1.032 258 S CA 3.945 62.114 58.200 -0.052 0.000 1.005 258 S CB -0.183 62.998 63.200 -0.032 0.000 0.867 258 S HN -0.561 7.695 8.310 -0.060 0.018 0.449 259 D N 0.200 120.563 120.400 -0.062 0.000 2.312 259 D HA -0.175 4.429 4.640 -0.058 0.000 0.211 259 D C 0.487 176.748 176.300 -0.065 0.000 0.964 259 D CA 1.946 55.911 54.000 -0.059 0.000 0.877 259 D CB -0.368 40.404 40.800 -0.046 0.000 0.924 259 D HN -0.329 8.006 8.370 -0.059 0.000 0.515 260 A N -1.589 121.190 122.820 -0.070 0.000 2.123 260 A HA -0.018 4.271 4.320 -0.053 0.000 0.214 260 A C 0.329 177.856 177.584 -0.095 0.000 1.152 260 A CA 0.465 52.463 52.037 -0.065 0.000 0.728 260 A CB 0.637 19.608 19.000 -0.047 0.000 0.814 260 A HN -0.640 7.312 8.150 -0.069 0.157 0.464 261 I N 0.832 121.307 120.570 -0.159 0.000 2.588 261 I HA 0.128 4.150 4.170 -0.248 0.000 0.283 261 I C -1.868 174.135 176.117 -0.190 0.000 1.119 261 I CA -3.672 57.467 61.300 -0.269 0.000 1.419 261 I CB -1.103 36.580 38.000 -0.529 0.000 1.394 261 I HN -0.736 7.340 8.210 -0.154 0.041 0.562 262 P HA 0.218 4.601 4.420 -0.062 0.000 0.270 262 P C -1.988 175.261 177.300 -0.086 0.000 1.223 262 P CA -1.206 61.845 63.100 -0.082 0.000 0.785 262 P CB -0.563 31.115 31.700 -0.037 0.000 0.923 263 P HA -0.065 4.332 4.420 -0.039 0.000 0.272 263 P C -0.638 176.658 177.300 -0.006 0.000 1.240 263 P CA -0.630 62.453 63.100 -0.029 0.000 0.791 263 P CB 0.283 31.976 31.700 -0.013 0.000 0.978 264 A N 0.333 123.158 122.820 0.008 0.000 2.555 264 A HA -0.209 4.256 4.320 0.049 -0.115 0.233 264 A C -0.053 177.554 177.584 0.037 0.000 1.060 264 A CA 0.895 52.953 52.037 0.035 0.000 0.759 264 A CB 0.287 19.310 19.000 0.039 0.000 0.995 264 A HN 0.271 8.423 8.150 0.002 0.000 0.506 265 S N 0.981 116.714 115.700 0.055 0.000 2.598 265 S HA 0.016 4.512 4.470 0.044 0.000 0.209 265 S C -1.043 173.599 174.600 0.070 0.000 1.029 265 S CA -0.326 57.907 58.200 0.054 0.000 1.172 265 S CB 0.760 63.991 63.200 0.052 0.000 1.427 265 S HN 0.371 8.722 8.310 0.068 0.000 0.418 266 L N 2.292 123.557 121.223 0.069 0.000 2.513 266 L HA -0.080 4.466 4.340 0.108 -0.141 0.272 266 L C -0.827 176.082 176.870 0.065 0.000 1.187 266 L CA 0.206 55.095 54.840 0.081 0.000 0.895 266 L CB 0.586 42.688 42.059 0.072 0.000 1.147 266 L HN -0.070 8.196 8.230 0.060 0.000 0.483 267 K N 6.556 126.999 120.400 0.071 0.000 2.340 267 K HA 0.202 4.547 4.320 0.042 0.000 0.244 267 K C -0.923 175.700 176.600 0.039 0.000 0.973 267 K CA -1.829 54.488 56.287 0.050 0.000 0.828 267 K CB 2.431 34.961 32.500 0.050 0.000 1.226 267 K HN -0.267 8.039 8.250 0.092 0.000 0.437 268 A N 2.297 125.132 122.820 0.025 0.000 2.507 268 A HA -0.131 4.198 4.320 0.015 0.000 0.235 268 A C -0.697 176.888 177.584 0.001 0.000 1.070 268 A CA 0.485 52.531 52.037 0.014 0.000 0.768 268 A CB 0.009 19.017 19.000 0.012 0.000 1.011 268 A HN 0.183 8.348 8.150 0.025 0.000 0.502 269 D N 0.008 120.401 120.400 -0.012 0.000 2.525 269 D HA -0.277 4.321 4.640 -0.070 0.000 0.235 269 D C -0.261 176.027 176.300 -0.019 0.000 1.137 269 D CA 0.755 54.733 54.000 -0.037 0.000 0.868 269 D CB 0.244 41.024 40.800 -0.033 0.000 1.180 269 D HN -0.066 8.301 8.370 -0.005 0.000 0.465 270 A N 5.106 127.911 122.820 -0.026 0.000 2.304 270 A HA 0.217 4.539 4.320 0.004 0.000 0.271 270 A C -1.944 175.645 177.584 0.008 0.000 1.091 270 A CA -1.496 50.541 52.037 -0.000 0.000 0.812 270 A CB 0.025 19.031 19.000 0.010 0.000 1.056 270 A HN -0.265 7.854 8.150 -0.052 0.000 0.489 271 P HA 0.077 4.497 4.420 -0.000 0.000 0.269 271 P C -1.501 175.803 177.300 0.007 0.000 1.215 271 P CA -0.089 63.014 63.100 0.004 0.000 0.780 271 P CB 0.532 32.231 31.700 -0.001 0.000 0.898 272 I N 1.205 121.758 120.570 -0.029 0.000 2.377 272 I HA 0.103 4.226 4.170 -0.078 0.000 0.293 272 I C -0.517 175.513 176.117 -0.145 0.000 0.987 272 I CA -1.027 60.206 61.300 -0.111 0.000 1.185 272 I CB 1.416 39.307 38.000 -0.181 0.000 1.341 272 I HN -0.229 7.963 8.210 -0.031 0.000 0.455 273 D N 7.287 127.584 120.400 -0.172 0.000 2.571 273 D HA -0.155 4.441 4.640 -0.074 0.000 0.231 273 D C 1.177 177.396 176.300 -0.135 0.000 1.133 273 D CA 0.800 54.726 54.000 -0.123 0.000 0.862 273 D CB 1.422 42.161 40.800 -0.102 0.000 1.179 273 D HN 0.181 8.441 8.370 -0.184 0.000 0.474 274 K N 5.192 125.545 120.400 -0.079 0.000 2.360 274 K HA -0.228 4.048 4.320 -0.074 0.000 0.201 274 K C 2.123 178.689 176.600 -0.058 0.000 1.046 274 K CA 1.883 58.131 56.287 -0.066 0.000 0.945 274 K CB -0.246 32.227 32.500 -0.044 0.000 0.750 274 K HN 0.469 8.683 8.250 -0.060 0.000 0.464 275 S N 1.103 116.773 115.700 -0.050 0.000 2.419 275 S HA -0.258 4.208 4.470 -0.007 0.000 0.235 275 S C 1.727 176.325 174.600 -0.003 0.000 1.019 275 S CA 3.260 61.451 58.200 -0.015 0.000 0.982 275 S CB -0.543 62.664 63.200 0.011 0.000 0.789 275 S HN -0.004 8.551 8.310 -0.053 -0.277 0.490 276 I N 0.563 121.086 120.570 -0.077 0.000 2.916 276 I HA -0.246 3.935 4.170 0.019 0.000 0.267 276 I C 0.504 176.623 176.117 0.003 0.000 1.263 276 I CA 0.118 61.379 61.300 -0.064 0.000 1.471 276 I CB -1.777 36.046 38.000 -0.295 0.000 1.089 276 I HN -0.536 7.562 8.210 -0.135 0.031 0.468 277 D N -1.587 118.797 120.400 -0.026 0.000 2.178 277 D HA -0.155 4.458 4.640 -0.046 0.000 0.201 277 D C 0.670 176.958 176.300 -0.021 0.000 0.980 277 D CA 1.758 55.735 54.000 -0.039 0.000 0.842 277 D CB 0.158 40.920 40.800 -0.063 0.000 0.948 277 D HN -0.574 7.613 8.370 -0.046 0.156 0.472 278 K N 0.567 120.980 120.400 0.022 0.000 2.524 278 K HA -0.190 4.122 4.320 -0.015 0.000 0.279 278 K C -1.045 175.622 176.600 0.113 0.000 0.993 278 K CA 0.534 56.819 56.287 -0.003 0.000 1.030 278 K CB 0.724 33.146 32.500 -0.129 0.000 0.891 278 K HN -0.664 7.561 8.250 0.030 0.043 0.488 279 W N 5.073 126.325 121.300 -0.081 0.000 2.314 279 W HA 0.056 4.874 4.660 0.048 -0.130 0.310 279 W C -0.710 175.725 176.519 -0.140 0.000 1.075 279 W CA -2.840 54.483 57.345 -0.037 0.000 1.253 279 W CB 0.127 29.582 29.460 -0.009 0.000 1.238 279 W HN -0.059 8.237 8.180 0.193 0.000 0.440 280 F N 6.145 126.193 119.950 0.164 0.000 2.394 280 F HA 0.091 4.715 4.527 0.161 0.000 0.340 280 F C -0.715 174.956 175.800 -0.215 0.000 1.105 280 F CA -0.491 57.540 58.000 0.053 0.000 1.124 280 F CB 1.387 40.416 39.000 0.048 0.000 1.145 280 F HN 0.624 9.301 8.300 0.628 0.000 0.505 281 F N 3.268 123.265 119.950 0.078 0.000 2.291 281 F HA 0.219 4.730 4.527 -0.026 0.000 0.368 281 F C -0.479 175.341 175.800 0.032 0.000 1.085 281 F CA -0.732 57.250 58.000 -0.030 0.000 1.165 281 F CB -0.037 38.853 39.000 -0.183 0.000 1.429 281 F HN 0.442 8.989 8.300 0.412 0.000 0.503 282 I N 7.338 127.987 120.570 0.132 0.000 2.361 282 I HA 0.081 4.311 4.170 0.099 0.000 0.282 282 I C -0.249 175.914 176.117 0.076 0.000 1.075 282 I CA -0.600 60.754 61.300 0.091 0.000 1.205 282 I CB -0.419 37.605 38.000 0.040 0.000 1.406 282 I HN 0.033 8.287 8.210 0.074 0.000 0.481 283 S N 0.000 115.748 115.700 0.079 0.000 2.498 283 S HA 0.000 4.518 4.470 0.080 0.000 0.327 283 S CA 0.000 58.242 58.200 0.070 0.000 1.107 283 S CB 0.000 63.239 63.200 0.066 0.000 0.593 283 S HN 0.000 8.358 8.310 0.081 0.000 0.517