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 2ku1_1_E DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AYDRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV DATA SEQUENCE LLISDKKVRS RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA DATA SEQUENCE QQEKVTYGSL VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP DATA SEQUENCE RLFDCDPAGT INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA DATA SEQUENCE LKSSLEEGEE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 -3 G C 0.000 174.897 174.900 -0.006 0.000 0.946 -3 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 -2 A N 0.313 123.130 122.820 -0.006 0.000 2.594 -2 A HA 0.187 4.505 4.320 -0.004 0.000 0.295 -2 A C -0.134 177.447 177.584 -0.004 0.000 1.071 -2 A CA -0.449 51.586 52.037 -0.005 0.000 0.685 -2 A CB 1.049 20.047 19.000 -0.004 0.000 1.285 -2 A HN -0.504 7.642 8.150 -0.007 0.000 0.405 -1 M N 0.052 119.650 119.600 -0.004 0.000 2.117 -1 M HA -0.128 4.350 4.480 -0.004 0.000 0.262 -1 M C 0.817 177.115 176.300 -0.003 0.000 1.065 -1 M CA 0.875 56.173 55.300 -0.003 0.000 1.114 -1 M CB 0.367 32.965 32.600 -0.002 0.000 1.361 -1 M HN 0.174 8.462 8.290 -0.003 0.000 0.408 0 G N -1.526 107.272 108.800 -0.003 0.000 2.395 0 G HA2 0.115 4.074 3.960 -0.002 0.000 0.283 0 G HA3 0.115 4.074 3.960 -0.001 0.000 0.283 0 G C -1.379 173.519 174.900 -0.003 0.000 1.178 0 G CA -0.852 44.246 45.100 -0.002 0.000 0.837 0 G HN -0.399 7.889 8.290 -0.003 0.000 0.518 1 M N 1.608 121.206 119.600 -0.003 0.000 2.146 1 M HA 0.001 4.477 4.480 -0.006 0.000 0.357 1 M C 0.519 176.817 176.300 -0.003 0.000 1.261 1 M CA 0.057 55.355 55.300 -0.004 0.000 1.106 1 M CB 0.585 33.182 32.600 -0.004 0.000 1.612 1 M HN 0.202 8.491 8.290 -0.002 0.000 0.470 2 Q N 4.243 124.040 119.800 -0.004 0.000 2.079 2 Q HA -0.194 4.145 4.340 -0.001 0.000 0.200 2 Q C 0.706 176.706 176.000 -0.000 0.000 0.974 2 Q CA 1.535 57.337 55.803 -0.002 0.000 0.840 2 Q CB 0.505 29.241 28.738 -0.004 0.000 0.898 2 Q HN 0.311 8.577 8.270 -0.006 0.000 0.430 3 Q N -0.439 119.360 119.800 -0.002 0.000 2.296 3 Q HA 0.003 4.346 4.340 0.006 0.000 0.262 3 Q C -0.026 175.978 176.000 0.007 0.000 0.981 3 Q CA -0.156 55.648 55.803 0.002 0.000 0.905 3 Q CB 0.129 28.863 28.738 -0.006 0.000 1.186 3 Q HN -0.228 8.039 8.270 -0.006 0.000 0.399 4 G N 2.816 111.624 108.800 0.014 0.000 3.233 4 G HA2 0.113 4.080 3.960 0.012 0.000 0.234 4 G HA3 0.113 4.082 3.960 0.016 0.000 0.234 4 G C -0.414 174.501 174.900 0.026 0.000 1.137 4 G CA -0.258 44.852 45.100 0.016 0.000 0.763 4 G HN 0.322 8.622 8.290 0.016 0.000 0.549 5 Q N 1.239 121.060 119.800 0.035 0.000 2.318 5 Q HA -0.218 4.162 4.340 0.066 0.000 0.270 5 Q C 0.295 176.327 176.000 0.053 0.000 1.237 5 Q CA 0.531 56.370 55.803 0.060 0.000 0.937 5 Q CB -0.599 28.189 28.738 0.084 0.000 1.375 5 Q HN 0.074 8.288 8.270 0.029 0.074 0.452 6 M N 3.714 123.342 119.600 0.047 0.000 2.254 6 M HA -0.204 4.294 4.480 0.031 0.000 0.265 6 M C 0.423 176.754 176.300 0.052 0.000 1.066 6 M CA 0.670 55.993 55.300 0.039 0.000 1.123 6 M CB -0.314 32.303 32.600 0.028 0.000 1.388 6 M HN 0.352 8.669 8.290 0.045 0.000 0.425 7 A N -2.681 120.184 122.820 0.074 0.000 2.593 7 A HA 0.191 4.569 4.320 0.096 0.000 0.290 7 A C -2.240 175.447 177.584 0.172 0.000 1.126 7 A CA -0.376 51.718 52.037 0.095 0.000 0.695 7 A CB 2.121 21.154 19.000 0.055 0.000 1.290 7 A HN -0.718 7.462 8.150 0.075 0.015 0.414 8 Y N -1.528 118.775 120.300 0.005 0.000 2.605 8 Y HA 0.240 4.793 4.550 0.005 0.000 0.343 8 Y C -0.517 175.389 175.900 0.010 0.000 1.036 8 Y CA -0.943 57.161 58.100 0.006 0.000 1.065 8 Y CB 2.694 41.157 38.460 0.006 0.000 1.288 8 Y HN 0.003 8.396 8.280 0.187 0.000 0.481 9 D N 1.541 121.614 120.400 -0.545 0.000 2.144 9 D HA -0.107 4.428 4.640 -0.175 0.000 0.200 9 D C -0.588 175.684 176.300 -0.048 0.000 0.978 9 D CA 1.875 55.704 54.000 -0.285 0.000 0.833 9 D CB 0.105 40.667 40.800 -0.396 0.000 0.961 9 D HN 0.085 7.581 8.370 -1.457 0.000 0.470 10 R N -0.133 120.439 120.500 0.120 0.000 2.538 10 R HA -0.161 4.252 4.340 0.122 0.000 0.282 10 R C -1.601 174.774 176.300 0.124 0.000 1.009 10 R CA 0.506 56.712 56.100 0.178 0.000 1.063 10 R CB 0.226 30.699 30.300 0.288 0.000 0.945 10 R HN -0.251 8.168 8.270 0.247 0.000 0.414 11 A N 4.327 127.193 122.820 0.076 0.000 4.431 11 A HA 0.288 4.641 4.320 0.056 0.000 0.247 11 A C -1.974 175.621 177.584 0.019 0.000 0.974 11 A CA -0.556 51.508 52.037 0.046 0.000 0.633 11 A CB 2.143 21.158 19.000 0.025 0.000 1.698 11 A HN 0.089 8.282 8.150 0.071 0.000 0.843 12 I N -1.111 119.455 120.570 -0.008 0.000 2.802 12 I HA 0.194 4.336 4.170 -0.047 0.000 0.298 12 I C -0.290 175.784 176.117 -0.071 0.000 1.176 12 I CA 0.115 61.392 61.300 -0.038 0.000 1.025 12 I CB 2.985 40.971 38.000 -0.024 0.000 1.243 12 I HN -0.184 8.023 8.210 -0.006 0.000 0.424 13 T N 4.105 118.584 114.554 -0.125 0.000 4.290 13 T HA -0.273 3.932 4.350 -0.243 0.000 0.334 13 T C -1.734 172.859 174.700 -0.178 0.000 0.761 13 T CA 0.470 62.464 62.100 -0.176 0.000 1.950 13 T CB -0.070 68.721 68.868 -0.128 0.000 1.898 13 T HN 0.288 8.448 8.240 -0.133 0.000 0.906 14 V N 0.721 120.522 119.914 -0.188 0.000 2.409 14 V HA 0.117 4.202 4.120 -0.059 0.000 0.290 14 V C -0.720 175.283 176.094 -0.152 0.000 1.017 14 V CA -1.005 61.229 62.300 -0.109 0.000 0.841 14 V CB 1.479 33.285 31.823 -0.027 0.000 1.003 14 V HN -0.563 7.510 8.190 -0.196 0.000 0.426 15 F N 8.361 128.283 119.950 -0.046 0.000 2.471 15 F HA 0.062 4.669 4.527 -0.110 -0.146 0.353 15 F C 0.769 176.541 175.800 -0.048 0.000 1.113 15 F CA 0.437 58.394 58.000 -0.073 0.000 1.262 15 F CB 1.013 39.971 39.000 -0.070 0.000 1.146 15 F HN 0.213 8.586 8.300 0.120 0.000 0.578 16 S N 3.606 119.379 115.700 0.121 0.000 2.617 16 S HA 0.286 4.855 4.470 0.164 0.000 0.269 16 S C -0.433 174.225 174.600 0.098 0.000 1.292 16 S CA -1.386 56.879 58.200 0.109 0.000 1.010 16 S CB -0.051 63.148 63.200 -0.002 0.000 0.944 16 S HN 0.348 8.759 8.310 0.064 -0.063 0.536 17 P HA -0.091 4.357 4.420 0.047 0.000 0.224 17 P C -1.445 175.875 177.300 0.033 0.000 1.142 17 P CA 1.748 64.884 63.100 0.060 0.000 0.778 17 P CB -0.321 31.418 31.700 0.064 0.000 0.764 18 D N -5.810 114.608 120.400 0.030 0.000 2.395 18 D HA -0.059 4.580 4.640 -0.001 0.000 0.213 18 D C 0.708 176.990 176.300 -0.030 0.000 1.110 18 D CA -0.586 53.416 54.000 0.002 0.000 0.835 18 D CB -0.512 40.300 40.800 0.020 0.000 0.965 18 D HN -0.600 7.716 8.370 0.042 0.079 0.505 19 G N 1.592 110.381 108.800 -0.019 0.000 2.303 19 G HA2 -0.497 3.449 3.960 -0.023 0.000 0.260 19 G HA3 -0.497 3.404 3.960 -0.099 0.000 0.260 19 G C -1.466 173.483 174.900 0.080 0.000 1.106 19 G CA 0.290 45.378 45.100 -0.019 0.000 0.900 19 G HN 0.332 8.445 8.290 0.009 0.183 0.495 20 R N -1.932 118.584 120.500 0.027 0.000 2.744 20 R HA 0.296 4.632 4.340 -0.007 0.000 0.279 20 R C -1.398 174.726 176.300 -0.294 0.000 0.977 20 R CA -1.756 54.254 56.100 -0.150 0.000 0.906 20 R CB 3.414 33.461 30.300 -0.423 0.000 1.197 20 R HN -0.058 8.262 8.270 -0.022 -0.063 0.463 21 L N 3.479 124.517 121.223 -0.309 0.000 2.302 21 L HA 0.286 4.371 4.340 -0.424 0.000 0.285 21 L C 0.283 176.936 176.870 -0.361 0.000 1.090 21 L CA -2.392 52.221 54.840 -0.379 0.000 0.866 21 L CB -2.289 39.563 42.059 -0.345 0.000 1.244 21 L HN 0.790 8.896 8.230 -0.206 0.000 0.435 22 F N 5.566 125.354 119.950 -0.270 0.000 2.161 22 F HA -0.502 3.784 4.527 -0.401 0.000 0.300 22 F C 1.581 176.931 175.800 -0.750 0.000 1.089 22 F CA 4.443 62.147 58.000 -0.493 0.000 1.282 22 F CB -0.184 38.523 39.000 -0.488 0.000 1.010 22 F HN -0.128 7.971 8.300 -0.335 0.000 0.485 23 Q N -1.773 117.844 119.800 -0.306 0.000 2.084 23 Q HA -0.357 3.824 4.340 -0.264 0.000 0.202 23 Q C 2.509 178.441 176.000 -0.113 0.000 0.978 23 Q CA 3.335 59.010 55.803 -0.214 0.000 0.844 23 Q CB -1.014 27.669 28.738 -0.092 0.000 0.898 23 Q HN -0.021 8.114 8.270 -0.205 0.012 0.426 24 V N 0.499 120.347 119.914 -0.110 0.000 2.407 24 V HA -0.465 3.654 4.120 -0.002 0.000 0.248 24 V C 1.347 177.439 176.094 -0.004 0.000 1.055 24 V CA 3.633 65.907 62.300 -0.042 0.000 1.049 24 V CB -0.083 31.706 31.823 -0.056 0.000 0.662 24 V HN -0.607 7.488 8.190 -0.157 0.000 0.455 25 E N 0.274 120.449 120.200 -0.041 0.000 2.017 25 E HA -0.363 4.029 4.350 0.069 0.000 0.193 25 E C 2.828 179.559 176.600 0.218 0.000 0.997 25 E CA 3.176 59.616 56.400 0.067 0.000 0.804 25 E CB -0.568 29.188 29.700 0.094 0.000 0.757 25 E HN -0.363 7.828 8.360 -0.129 0.091 0.448 26 Y N -1.385 118.981 120.300 0.109 0.000 2.193 26 Y HA -0.345 4.250 4.550 0.074 0.000 0.285 26 Y C 2.239 178.170 175.900 0.052 0.000 1.166 26 Y CA 0.408 58.554 58.100 0.077 0.000 1.181 26 Y CB -1.508 36.994 38.460 0.070 0.000 0.976 26 Y HN 0.218 8.450 8.280 -0.081 0.000 0.520 27 A N -1.208 121.731 122.820 0.198 0.000 1.877 27 A HA -0.449 3.940 4.320 0.115 0.000 0.216 27 A C 1.788 179.432 177.584 0.100 0.000 1.186 27 A CA 3.001 55.111 52.037 0.121 0.000 0.620 27 A CB -0.665 18.387 19.000 0.086 0.000 0.822 27 A HN 0.033 8.274 8.150 0.169 0.010 0.443 28 R N -2.858 117.701 120.500 0.100 0.000 2.103 28 R HA -0.453 3.926 4.340 0.064 0.000 0.242 28 R C 2.651 178.997 176.300 0.077 0.000 1.142 28 R CA 3.413 59.561 56.100 0.080 0.000 0.960 28 R CB -0.434 29.914 30.300 0.080 0.000 0.858 28 R HN -0.411 7.850 8.270 0.105 0.072 0.439 29 E N -1.217 119.043 120.200 0.100 0.000 2.049 29 E HA -0.325 4.064 4.350 0.064 0.000 0.198 29 E C 2.118 178.747 176.600 0.048 0.000 1.007 29 E CA 2.808 59.252 56.400 0.073 0.000 0.809 29 E CB -0.798 28.948 29.700 0.076 0.000 0.749 29 E HN -0.518 7.828 8.360 0.139 0.097 0.450 30 A N -2.504 120.346 122.820 0.051 0.000 1.986 30 A HA -0.170 4.163 4.320 0.022 0.000 0.220 30 A C 2.587 180.186 177.584 0.025 0.000 1.171 30 A CA 2.757 54.814 52.037 0.033 0.000 0.640 30 A CB -1.107 17.916 19.000 0.037 0.000 0.811 30 A HN -0.311 7.882 8.150 0.072 0.000 0.451 31 V N -5.615 114.317 119.914 0.030 0.000 2.667 31 V HA -0.369 3.757 4.120 0.010 0.000 0.252 31 V C 1.020 177.119 176.094 0.009 0.000 1.065 31 V CA 2.734 65.044 62.300 0.016 0.000 1.083 31 V CB -0.134 31.700 31.823 0.018 0.000 0.692 31 V HN -0.729 7.366 8.190 0.042 0.120 0.468 32 K N 0.734 121.144 120.400 0.016 0.000 2.097 32 K HA -0.245 4.079 4.320 0.007 0.000 0.206 32 K C 1.970 178.572 176.600 0.004 0.000 1.049 32 K CA 3.255 59.549 56.287 0.011 0.000 0.933 32 K CB -0.139 32.373 32.500 0.020 0.000 0.717 32 K HN -0.169 7.970 8.250 0.026 0.127 0.442 33 K N -3.538 116.865 120.400 0.005 0.000 2.569 33 K HA -0.085 4.234 4.320 -0.001 0.000 0.193 33 K C 0.412 177.009 176.600 -0.004 0.000 1.026 33 K CA 0.188 56.475 56.287 0.000 0.000 1.093 33 K CB -0.652 31.848 32.500 0.000 0.000 0.849 33 K HN -0.697 7.452 8.250 0.010 0.107 0.509 34 G N -0.574 108.221 108.800 -0.007 0.000 2.531 34 G HA2 0.167 4.120 3.960 -0.012 0.000 0.313 34 G HA3 0.167 4.118 3.960 -0.015 0.000 0.313 34 G C -1.765 173.123 174.900 -0.019 0.000 1.238 34 G CA -2.331 42.761 45.100 -0.013 0.000 0.994 34 G HN -0.719 7.367 8.290 -0.005 0.201 0.493 35 S N -2.059 113.626 115.700 -0.025 0.000 2.587 35 S HA -0.137 4.317 4.470 -0.026 0.000 0.260 35 S C -0.362 174.215 174.600 -0.038 0.000 1.353 35 S CA 0.129 58.310 58.200 -0.031 0.000 0.995 35 S CB 0.630 63.809 63.200 -0.034 0.000 0.912 35 S HN 0.172 8.467 8.310 -0.025 0.000 0.568 36 T N 1.569 116.098 114.554 -0.042 0.000 2.829 36 T HA 0.594 5.088 4.350 -0.051 -0.175 0.282 36 T C -1.887 172.773 174.700 -0.066 0.000 0.990 36 T CA -0.597 61.472 62.100 -0.051 0.000 1.028 36 T CB 1.296 70.138 68.868 -0.044 0.000 0.951 36 T HN 0.210 8.427 8.240 -0.039 0.000 0.460 37 A N 6.542 129.314 122.820 -0.080 0.000 2.609 37 A HA 0.884 5.241 4.320 -0.093 -0.093 0.291 37 A C -3.001 174.517 177.584 -0.110 0.000 1.096 37 A CA -1.078 50.903 52.037 -0.094 0.000 0.684 37 A CB 3.333 22.276 19.000 -0.095 0.000 1.282 37 A HN 0.877 8.979 8.150 -0.080 0.000 0.412 38 L N -6.325 114.828 121.223 -0.116 0.000 2.654 38 L HA 0.878 5.209 4.340 -0.147 -0.079 0.257 38 L C -2.021 174.784 176.870 -0.110 0.000 1.093 38 L CA -1.215 53.548 54.840 -0.129 0.000 0.903 38 L CB 3.609 45.588 42.059 -0.133 0.000 1.520 38 L HN 0.996 9.053 8.230 -0.111 0.107 0.402 39 G N -4.533 104.201 108.800 -0.111 0.000 2.673 39 G HA2 0.822 4.889 3.960 -0.035 0.000 0.292 39 G HA3 0.822 4.752 3.960 -0.049 0.000 0.292 39 G C -3.287 171.577 174.900 -0.060 0.000 1.450 39 G CA 0.358 45.422 45.100 -0.061 0.000 0.837 39 G HN 0.586 8.790 8.290 -0.144 0.000 0.505 40 M N -3.788 115.822 119.600 0.017 0.000 2.414 40 M HA 0.411 4.950 4.480 -0.055 -0.092 0.287 40 M C -2.190 174.196 176.300 0.144 0.000 1.181 40 M CA -0.078 55.246 55.300 0.041 0.000 0.933 40 M CB 4.231 36.889 32.600 0.095 0.000 1.732 40 M HN 0.070 8.396 8.290 0.060 0.000 0.486 41 K N 1.053 121.518 120.400 0.109 0.000 2.270 41 K HA 0.298 4.674 4.320 -0.082 -0.105 0.276 41 K C -0.280 176.458 176.600 0.231 0.000 1.023 41 K CA 0.860 57.181 56.287 0.057 0.000 0.955 41 K CB 1.004 33.520 32.500 0.026 0.000 0.975 41 K HN 0.564 8.739 8.250 0.060 0.110 0.471 42 F N -0.905 119.101 119.950 0.094 0.000 3.043 42 F HA 0.691 5.274 4.527 0.093 0.000 0.357 42 F C 0.736 176.562 175.800 0.043 0.000 1.302 42 F CA -2.900 55.144 58.000 0.074 0.000 1.069 42 F CB 1.219 40.251 39.000 0.054 0.000 1.539 42 F HN 0.546 8.488 8.300 -0.426 0.103 0.505 43 A N 0.939 124.101 122.820 0.569 0.000 1.901 43 A HA -0.405 4.031 4.320 0.193 0.000 0.227 43 A C 0.337 178.008 177.584 0.145 0.000 1.551 43 A CA 2.900 55.131 52.037 0.324 0.000 0.769 43 A CB -0.478 18.733 19.000 0.353 0.000 0.845 43 A HN 0.230 8.774 8.150 0.657 0.000 0.481 44 N N -1.944 116.820 118.700 0.107 0.000 2.466 44 N HA 0.066 4.770 4.740 -0.061 0.000 0.272 44 N C -1.278 174.085 175.510 -0.245 0.000 1.455 44 N CA -0.840 52.182 53.050 -0.047 0.000 0.875 44 N CB 0.660 39.164 38.487 0.029 0.000 1.372 44 N HN 0.089 8.656 8.380 0.311 0.000 0.492 45 G N -1.586 106.773 108.800 -0.735 0.000 2.664 45 G HA2 0.688 4.341 3.960 -0.512 0.000 0.303 45 G HA3 0.688 4.240 3.960 -0.929 -0.149 0.303 45 G C -3.617 170.462 174.900 -1.368 0.000 1.243 45 G CA 0.242 44.765 45.100 -0.961 0.000 0.826 45 G HN -0.953 6.803 8.290 -0.890 0.000 0.498 46 V N -1.387 117.938 119.914 -0.981 0.000 3.120 46 V HA 0.755 4.726 4.120 -0.461 -0.127 0.303 46 V C -2.829 173.286 176.094 0.036 0.000 1.238 46 V CA -2.013 60.028 62.300 -0.433 0.000 1.008 46 V CB 4.314 36.034 31.823 -0.171 0.000 1.064 46 V HN 0.014 7.792 8.190 -0.686 0.000 0.434 47 L N 1.716 123.101 121.223 0.270 0.000 2.371 47 L HA 0.880 5.467 4.340 0.264 -0.088 0.262 47 L C -3.042 173.899 176.870 0.119 0.000 1.006 47 L CA -1.620 53.373 54.840 0.255 0.000 0.818 47 L CB 3.893 46.094 42.059 0.237 0.000 1.354 47 L HN -0.058 8.322 8.230 0.250 0.000 0.415 48 L N 0.066 121.333 121.223 0.072 0.000 2.342 48 L HA 0.781 5.236 4.340 -0.011 -0.121 0.271 48 L C -1.973 174.843 176.870 -0.090 0.000 1.008 48 L CA -1.066 53.772 54.840 -0.003 0.000 0.818 48 L CB 4.729 46.795 42.059 0.011 0.000 1.296 48 L HN 0.903 9.079 8.230 0.093 0.109 0.427 49 I N 3.237 123.743 120.570 -0.107 0.000 2.627 49 I HA 0.819 5.107 4.170 -0.152 -0.209 0.288 49 I C -3.013 173.035 176.117 -0.115 0.000 1.202 49 I CA -1.311 59.906 61.300 -0.138 0.000 1.050 49 I CB 4.128 42.026 38.000 -0.170 0.000 1.264 49 I HN 0.939 9.094 8.210 -0.092 0.000 0.429 50 S N 7.912 123.549 115.700 -0.105 0.000 2.542 50 S HA 0.449 4.866 4.470 -0.089 0.000 0.293 50 S C -2.022 172.532 174.600 -0.075 0.000 1.089 50 S CA -1.922 56.226 58.200 -0.088 0.000 0.961 50 S CB 2.638 65.789 63.200 -0.081 0.000 1.062 50 S HN 0.953 9.197 8.310 -0.109 0.000 0.483 51 D N 5.290 125.652 120.400 -0.065 0.000 2.336 51 D HA 0.116 4.726 4.640 -0.051 0.000 0.249 51 D C -1.082 175.194 176.300 -0.041 0.000 1.213 51 D CA -0.331 53.639 54.000 -0.051 0.000 0.870 51 D CB 0.759 41.532 40.800 -0.045 0.000 1.076 51 D HN 0.103 8.434 8.370 -0.066 0.000 0.483 52 K N 8.107 128.486 120.400 -0.035 0.000 2.184 52 K HA 0.016 4.318 4.320 -0.030 0.000 0.259 52 K C -1.329 175.260 176.600 -0.020 0.000 1.119 52 K CA -0.570 55.700 56.287 -0.028 0.000 0.991 52 K CB -0.429 32.056 32.500 -0.024 0.000 1.522 52 K HN -0.339 7.889 8.250 -0.036 0.000 0.405 53 K N 5.670 126.059 120.400 -0.019 0.000 2.262 53 K HA 0.028 4.341 4.320 -0.012 0.000 0.282 53 K C -1.023 175.571 176.600 -0.011 0.000 1.066 53 K CA -0.076 56.203 56.287 -0.014 0.000 0.901 53 K CB 0.657 33.148 32.500 -0.015 0.000 1.089 53 K HN -0.382 7.855 8.250 -0.023 0.000 0.476 54 V N 3.787 123.696 119.914 -0.008 0.000 2.769 54 V HA 0.103 4.218 4.120 -0.007 0.000 0.312 54 V C -1.009 175.082 176.094 -0.005 0.000 1.058 54 V CA -1.155 61.142 62.300 -0.006 0.000 0.952 54 V CB 1.907 33.727 31.823 -0.004 0.000 1.019 54 V HN 0.188 8.373 8.190 -0.007 0.000 0.445 55 R N 4.700 125.197 120.500 -0.004 0.000 1.747 55 R HA 0.168 4.506 4.340 -0.003 0.000 0.136 55 R C -0.301 175.997 176.300 -0.002 0.000 2.116 55 R CA 0.183 56.281 56.100 -0.003 0.000 1.739 55 R CB 0.235 30.532 30.300 -0.004 0.000 1.333 55 R HN 0.097 8.364 8.270 -0.005 0.000 0.480 56 S N -0.870 114.829 115.700 -0.002 0.000 2.584 56 S HA 0.126 4.596 4.470 -0.001 0.000 0.270 56 S C 1.672 176.271 174.600 -0.001 0.000 1.346 56 S CA -0.290 57.909 58.200 -0.001 0.000 1.018 56 S CB 0.697 63.896 63.200 -0.002 0.000 0.899 56 S HN -0.054 8.255 8.310 -0.003 0.000 0.542 57 R N 1.939 122.439 120.500 -0.000 0.000 2.193 57 R HA -0.114 4.226 4.340 0.001 0.000 0.213 57 R C 0.691 176.991 176.300 0.000 0.000 1.055 57 R CA 1.411 57.511 56.100 0.000 0.000 0.995 57 R CB -0.319 29.982 30.300 0.001 0.000 0.893 57 R HN 0.504 8.774 8.270 -0.000 0.000 0.459 58 L N -2.595 118.628 121.223 -0.000 0.000 2.551 58 L HA -0.072 4.268 4.340 0.000 0.000 0.228 58 L C 0.472 177.342 176.870 -0.000 0.000 1.153 58 L CA 0.362 55.202 54.840 -0.000 0.000 0.851 58 L CB -0.542 41.517 42.059 -0.000 0.000 0.959 58 L HN -0.388 7.797 8.230 -0.000 0.045 0.451 59 I N -1.273 119.297 120.570 -0.001 0.000 2.638 59 I HA -0.058 4.111 4.170 -0.001 0.000 0.286 59 I C 1.262 177.379 176.117 -0.000 0.000 1.088 59 I CA -0.976 60.324 61.300 -0.001 0.000 1.397 59 I CB -0.018 37.980 38.000 -0.002 0.000 1.414 59 I HN -0.937 7.207 8.210 -0.001 0.066 0.566 60 E N 7.661 127.860 120.200 -0.000 0.000 2.594 60 E HA 0.033 4.384 4.350 0.001 0.000 0.300 60 E C -0.148 176.452 176.600 0.000 0.000 1.568 60 E CA -0.825 55.575 56.400 0.000 0.000 1.811 60 E CB -2.022 27.678 29.700 0.001 0.000 1.458 60 E HN 0.463 8.822 8.360 -0.001 0.000 0.470 61 Q N 1.177 120.977 119.800 0.000 0.000 2.478 61 Q HA -0.686 3.654 4.340 -0.000 0.000 0.462 61 Q C 0.706 176.705 176.000 -0.001 0.000 0.601 61 Q CA 2.273 58.076 55.803 0.001 0.000 0.953 61 Q CB -1.889 26.851 28.738 0.003 0.000 2.612 61 Q HN 0.055 8.234 8.270 0.000 0.092 1.022 62 N N 1.448 120.149 118.700 0.001 0.000 2.165 62 N HA -0.465 4.275 4.740 -0.001 0.000 0.198 62 N C 1.749 177.257 175.510 -0.004 0.000 0.999 62 N CA 2.798 55.849 53.050 0.000 0.000 0.893 62 N CB -0.443 38.046 38.487 0.004 0.000 1.025 62 N HN 0.252 8.634 8.380 0.004 0.000 0.456 63 S N 0.550 116.249 115.700 -0.003 0.000 2.423 63 S HA -0.321 4.146 4.470 -0.004 0.000 0.238 63 S C 1.346 175.942 174.600 -0.007 0.000 1.028 63 S CA 2.992 61.190 58.200 -0.004 0.000 1.000 63 S CB 0.022 63.221 63.200 -0.002 0.000 0.797 63 S HN -0.234 8.043 8.310 -0.001 0.033 0.487 64 I N 1.293 121.858 120.570 -0.009 0.000 2.664 64 I HA -0.058 4.105 4.170 -0.012 0.000 0.291 64 I C -2.115 173.991 176.117 -0.018 0.000 1.120 64 I CA -1.479 59.813 61.300 -0.012 0.000 1.503 64 I CB -0.492 37.501 38.000 -0.011 0.000 1.506 64 I HN -0.323 7.838 8.210 -0.007 0.045 0.621 65 E N 3.733 123.921 120.200 -0.020 0.000 2.351 65 E HA -0.153 4.401 4.350 -0.028 -0.221 0.266 65 E C -0.595 175.982 176.600 -0.038 0.000 1.031 65 E CA 0.379 56.762 56.400 -0.028 0.000 0.911 65 E CB -0.077 29.606 29.700 -0.028 0.000 0.986 65 E HN -0.563 7.705 8.360 -0.016 0.082 0.446 66 K N 3.747 124.119 120.400 -0.047 0.000 2.308 66 K HA 0.047 4.336 4.320 -0.052 0.000 0.197 66 K C 0.075 176.629 176.600 -0.076 0.000 1.049 66 K CA 0.827 57.080 56.287 -0.057 0.000 0.991 66 K CB 1.359 33.825 32.500 -0.057 0.000 0.836 66 K HN 0.196 8.942 8.250 -0.045 -0.523 0.500 67 I N -0.325 120.196 120.570 -0.082 0.000 2.325 67 I HA -0.071 4.143 4.170 -0.118 -0.115 0.291 67 I C -0.685 175.368 176.117 -0.108 0.000 1.019 67 I CA 0.016 61.251 61.300 -0.108 0.000 1.302 67 I CB 0.394 38.325 38.000 -0.114 0.000 1.401 67 I HN -0.462 8.051 8.210 -0.071 -0.345 0.485 68 Q N 7.150 126.880 119.800 -0.117 0.000 2.394 68 Q HA 0.390 4.677 4.340 -0.089 0.000 0.273 68 Q C -1.447 174.483 176.000 -0.115 0.000 1.089 68 Q CA -1.876 53.869 55.803 -0.096 0.000 0.812 68 Q CB 4.417 33.120 28.738 -0.059 0.000 1.353 68 Q HN 0.666 8.859 8.270 -0.127 0.000 0.438 69 L N 1.666 122.828 121.223 -0.102 0.000 2.399 69 L HA -0.007 4.237 4.340 -0.160 0.000 0.266 69 L C 0.301 177.163 176.870 -0.014 0.000 1.114 69 L CA 0.313 55.096 54.840 -0.096 0.000 0.804 69 L CB 0.941 42.949 42.059 -0.084 0.000 1.146 69 L HN 0.540 8.722 8.230 -0.080 0.000 0.451 70 I N -0.881 119.705 120.570 0.028 0.000 3.616 70 I HA 0.049 4.247 4.170 0.046 0.000 0.296 70 I C -0.535 175.616 176.117 0.057 0.000 1.226 70 I CA 0.915 62.250 61.300 0.058 0.000 1.394 70 I CB 1.368 39.429 38.000 0.101 0.000 1.171 70 I HN 0.660 8.886 8.210 0.028 0.000 0.442 71 D N -1.956 118.497 120.400 0.088 0.000 2.720 71 D HA 0.027 4.727 4.640 0.100 0.000 0.239 71 D C -1.623 174.796 176.300 0.199 0.000 1.218 71 D CA -0.208 53.869 54.000 0.128 0.000 0.748 71 D CB 2.296 43.171 40.800 0.126 0.000 1.387 71 D HN -0.623 7.801 8.370 0.090 0.000 0.438 72 D N 1.535 122.073 120.400 0.231 0.000 2.369 72 D HA -0.312 4.396 4.640 0.112 0.000 0.213 72 D C 0.650 177.024 176.300 0.124 0.000 0.982 72 D CA 2.807 56.913 54.000 0.176 0.000 0.931 72 D CB -0.054 40.822 40.800 0.127 0.000 0.889 72 D HN 0.487 8.986 8.370 0.214 0.000 0.487 73 Y N -4.983 115.434 120.300 0.194 0.000 2.588 73 Y HA 0.098 4.754 4.550 0.177 0.000 0.247 73 Y C -1.580 174.480 175.900 0.267 0.000 1.157 73 Y CA -1.407 56.806 58.100 0.188 0.000 1.215 73 Y CB 0.557 39.065 38.460 0.079 0.000 1.245 73 Y HN -0.527 8.289 8.280 0.532 -0.216 0.534 74 V N -1.056 119.127 119.914 0.449 0.000 2.737 74 V HA 0.539 5.123 4.120 0.524 -0.149 0.298 74 V C -3.055 173.166 176.094 0.212 0.000 1.163 74 V CA -1.536 60.994 62.300 0.383 0.000 0.925 74 V CB 3.120 35.090 31.823 0.246 0.000 1.037 74 V HN 0.145 8.457 8.190 0.383 0.108 0.433 75 A N 6.950 129.851 122.820 0.134 0.000 2.430 75 A HA 0.942 5.296 4.320 -0.074 -0.078 0.300 75 A C -3.015 174.580 177.584 0.017 0.000 1.124 75 A CA -2.256 49.712 52.037 -0.115 0.000 0.766 75 A CB 4.490 23.113 19.000 -0.628 0.000 1.328 75 A HN 1.068 9.416 8.150 0.330 0.000 0.424 76 A N -1.560 121.216 122.820 -0.073 0.000 2.539 76 A HA 1.169 5.551 4.320 -0.186 -0.173 0.296 76 A C -2.829 174.627 177.584 -0.214 0.000 1.073 76 A CA -1.517 50.398 52.037 -0.203 0.000 0.700 76 A CB 4.298 23.035 19.000 -0.439 0.000 1.296 76 A HN 0.922 9.009 8.150 -0.105 0.000 0.405 77 V N 0.560 120.327 119.914 -0.245 0.000 2.823 77 V HA 0.874 5.046 4.120 -0.157 -0.146 0.312 77 V C -1.848 174.121 176.094 -0.207 0.000 1.072 77 V CA -2.870 59.320 62.300 -0.183 0.000 0.937 77 V CB 4.236 35.975 31.823 -0.140 0.000 1.013 77 V HN 0.464 8.473 8.190 -0.302 0.000 0.430 78 T N 7.297 121.759 114.554 -0.154 0.000 2.907 78 T HA 0.614 4.978 4.350 -0.162 -0.111 0.290 78 T C -1.345 173.301 174.700 -0.090 0.000 1.066 78 T CA -2.294 59.725 62.100 -0.135 0.000 1.012 78 T CB 1.077 69.875 68.868 -0.117 0.000 1.184 78 T HN -0.097 8.068 8.240 -0.125 0.000 0.522 79 S N 1.988 117.646 115.700 -0.071 0.000 2.543 79 S HA 0.320 4.764 4.470 -0.044 0.000 0.271 79 S C -1.710 172.874 174.600 -0.026 0.000 1.148 79 S CA 0.054 58.225 58.200 -0.047 0.000 0.914 79 S CB 2.347 65.517 63.200 -0.050 0.000 1.096 79 S HN 0.944 9.209 8.310 -0.074 0.000 0.471 80 G N 3.728 112.519 108.800 -0.015 0.000 2.250 80 G HA2 -0.094 4.031 3.960 0.004 0.000 0.252 80 G HA3 -0.094 3.966 3.960 0.007 -0.096 0.252 80 G C -2.147 172.756 174.900 0.005 0.000 1.325 80 G CA -0.368 44.733 45.100 0.001 0.000 1.091 80 G HN 0.023 8.303 8.290 -0.017 0.000 0.476 81 L N 3.222 124.455 121.223 0.017 0.000 2.654 81 L HA 0.117 4.465 4.340 0.012 0.000 0.271 81 L C 0.934 177.814 176.870 0.017 0.000 1.169 81 L CA -0.409 54.442 54.840 0.019 0.000 0.947 81 L CB -1.713 40.363 42.059 0.028 0.000 1.232 81 L HN 0.231 8.476 8.230 0.025 0.000 0.486 82 V N 9.244 129.163 119.914 0.008 0.000 2.250 82 V HA -0.489 3.630 4.120 -0.002 0.000 0.250 82 V C 0.858 176.961 176.094 0.015 0.000 1.060 82 V CA 3.690 65.993 62.300 0.005 0.000 1.030 82 V CB -0.073 31.750 31.823 0.000 0.000 0.643 82 V HN 0.311 8.504 8.190 0.005 0.000 0.445 83 A N -2.404 120.428 122.820 0.020 0.000 1.859 83 A HA -0.362 3.973 4.320 0.025 0.000 0.217 83 A C 1.861 179.475 177.584 0.049 0.000 1.198 83 A CA 3.541 55.595 52.037 0.028 0.000 0.629 83 A CB -1.088 17.926 19.000 0.024 0.000 0.830 83 A HN 0.158 8.317 8.150 0.016 0.000 0.446 84 D N -0.585 119.854 120.400 0.064 0.000 2.123 84 D HA -0.361 4.381 4.640 0.170 0.000 0.196 84 D C 2.071 178.428 176.300 0.095 0.000 0.992 84 D CA 3.114 57.191 54.000 0.129 0.000 0.833 84 D CB -0.603 40.291 40.800 0.156 0.000 0.954 84 D HN -0.254 8.146 8.370 0.049 0.000 0.455 85 A N 0.595 123.441 122.820 0.044 0.000 1.865 85 A HA -0.408 3.905 4.320 -0.011 0.000 0.217 85 A C 1.538 179.127 177.584 0.009 0.000 1.191 85 A CA 3.267 55.307 52.037 0.006 0.000 0.623 85 A CB -0.461 18.532 19.000 -0.012 0.000 0.826 85 A HN 0.270 8.375 8.150 0.040 0.069 0.444 86 R N -0.994 119.518 120.500 0.020 0.000 2.122 86 R HA -0.410 3.939 4.340 0.015 0.000 0.236 86 R C 1.949 178.275 176.300 0.044 0.000 1.129 86 R CA 3.476 59.591 56.100 0.025 0.000 0.925 86 R CB -0.062 30.253 30.300 0.025 0.000 0.850 86 R HN -0.242 8.040 8.270 0.020 0.000 0.431 87 V N -0.616 119.334 119.914 0.060 0.000 2.392 87 V HA -0.408 3.762 4.120 0.084 0.000 0.249 87 V C 1.480 177.619 176.094 0.074 0.000 1.059 87 V CA 3.454 65.804 62.300 0.083 0.000 1.051 87 V CB -0.043 31.849 31.823 0.114 0.000 0.658 87 V HN -0.593 7.634 8.190 0.061 0.000 0.455 88 L N -0.675 120.554 121.223 0.010 0.000 2.083 88 L HA -0.337 3.913 4.340 -0.150 0.000 0.209 88 L C 1.906 178.830 176.870 0.090 0.000 1.083 88 L CA 3.189 57.992 54.840 -0.062 0.000 0.752 88 L CB -0.213 41.740 42.059 -0.176 0.000 0.899 88 L HN -0.375 7.790 8.230 0.016 0.075 0.433 89 V N 0.421 120.381 119.914 0.076 0.000 2.270 89 V HA -0.649 3.559 4.120 0.147 0.000 0.245 89 V C 1.743 177.900 176.094 0.105 0.000 1.043 89 V CA 5.146 67.505 62.300 0.098 0.000 1.014 89 V CB -0.366 31.484 31.823 0.044 0.000 0.645 89 V HN 0.303 8.427 8.190 0.041 0.091 0.447 90 D N -0.161 120.291 120.400 0.086 0.000 2.158 90 D HA -0.341 4.323 4.640 0.040 0.000 0.197 90 D C 2.049 178.390 176.300 0.068 0.000 0.995 90 D CA 3.577 57.617 54.000 0.067 0.000 0.846 90 D CB -0.449 40.389 40.800 0.063 0.000 0.941 90 D HN -0.004 8.412 8.370 0.077 0.000 0.456 91 F N 0.611 120.559 119.950 -0.004 0.000 2.095 91 F HA -0.458 4.065 4.527 -0.006 0.000 0.298 91 F C 0.728 176.519 175.800 -0.015 0.000 1.104 91 F CA 3.656 61.648 58.000 -0.015 0.000 1.232 91 F CB -0.061 38.912 39.000 -0.045 0.000 0.987 91 F HN -0.340 8.108 8.300 0.250 0.002 0.475 92 A N -1.162 121.680 122.820 0.037 0.000 1.972 92 A HA -0.406 3.788 4.320 -0.210 0.000 0.219 92 A C 2.050 179.560 177.584 -0.123 0.000 1.169 92 A CA 2.976 54.975 52.037 -0.063 0.000 0.635 92 A CB -0.712 18.371 19.000 0.138 0.000 0.810 92 A HN -0.306 8.000 8.150 0.259 0.000 0.446 93 R N -1.306 119.156 120.500 -0.063 0.000 2.062 93 R HA -0.305 4.017 4.340 -0.030 0.000 0.231 93 R C 2.481 178.716 176.300 -0.107 0.000 1.136 93 R CA 3.695 59.762 56.100 -0.054 0.000 0.948 93 R CB 0.208 30.498 30.300 -0.016 0.000 0.845 93 R HN -0.281 7.889 8.270 -0.009 0.095 0.430 94 I N -2.232 118.246 120.570 -0.154 0.000 2.252 94 I HA -0.400 3.705 4.170 -0.108 0.000 0.245 94 I C 1.273 177.248 176.117 -0.236 0.000 1.102 94 I CA 3.885 65.085 61.300 -0.167 0.000 1.385 94 I CB -0.272 37.635 38.000 -0.155 0.000 1.064 94 I HN -0.008 8.114 8.210 -0.148 0.000 0.414 95 S N 0.575 116.030 115.700 -0.408 0.000 2.387 95 S HA -0.478 3.759 4.470 -0.389 0.000 0.230 95 S C 2.045 176.513 174.600 -0.220 0.000 1.035 95 S CA 3.548 61.495 58.200 -0.422 0.000 1.014 95 S CB -0.265 62.527 63.200 -0.681 0.000 0.836 95 S HN 0.347 8.234 8.310 -0.526 0.108 0.466 96 A N 1.174 123.892 122.820 -0.171 0.000 1.873 96 A HA -0.349 3.909 4.320 -0.104 0.000 0.215 96 A C 1.966 179.507 177.584 -0.071 0.000 1.186 96 A CA 2.984 54.959 52.037 -0.103 0.000 0.616 96 A CB -0.632 18.326 19.000 -0.069 0.000 0.823 96 A HN -0.206 7.733 8.150 -0.187 0.098 0.442 97 Q N -1.720 118.037 119.800 -0.071 0.000 2.112 97 Q HA -0.414 3.906 4.340 -0.034 0.000 0.206 97 Q C 2.774 178.745 176.000 -0.048 0.000 0.987 97 Q CA 2.608 58.381 55.803 -0.050 0.000 0.858 97 Q CB -0.842 27.867 28.738 -0.048 0.000 0.905 97 Q HN -0.363 7.856 8.270 -0.086 0.000 0.420 98 Q N -0.483 119.275 119.800 -0.069 0.000 2.014 98 Q HA -0.436 3.871 4.340 -0.054 0.000 0.207 98 Q C 2.122 178.110 176.000 -0.020 0.000 0.993 98 Q CA 3.443 59.212 55.803 -0.057 0.000 0.850 98 Q CB -0.354 28.338 28.738 -0.078 0.000 0.916 98 Q HN 0.229 8.437 8.270 -0.098 0.003 0.417 99 E N -0.582 119.621 120.200 0.005 0.000 2.085 99 E HA -0.387 4.074 4.350 0.186 0.000 0.194 99 E C 2.265 178.928 176.600 0.105 0.000 0.994 99 E CA 2.983 59.445 56.400 0.103 0.000 0.801 99 E CB -0.255 29.488 29.700 0.073 0.000 0.743 99 E HN -0.666 7.676 8.360 -0.030 0.000 0.453 100 K N -0.845 119.573 120.400 0.030 0.000 2.032 100 K HA -0.322 4.089 4.320 0.028 -0.074 0.209 100 K C 2.867 179.472 176.600 0.007 0.000 1.048 100 K CA 3.168 59.464 56.287 0.016 0.000 0.927 100 K CB -0.048 32.445 32.500 -0.011 0.000 0.712 100 K HN -0.439 7.812 8.250 0.002 0.000 0.441 101 V N -1.093 118.812 119.914 -0.015 0.000 2.759 101 V HA -0.311 3.791 4.120 -0.029 0.000 0.256 101 V C 1.205 177.259 176.094 -0.066 0.000 1.080 101 V CA 2.951 65.230 62.300 -0.035 0.000 1.101 101 V CB 0.229 32.029 31.823 -0.039 0.000 0.698 101 V HN 0.253 8.432 8.190 -0.017 0.000 0.477 102 T N -0.373 114.124 114.554 -0.094 0.000 3.004 102 T HA -0.127 4.103 4.350 -0.200 0.000 0.243 102 T C 1.211 175.721 174.700 -0.316 0.000 1.020 102 T CA 2.255 64.211 62.100 -0.239 0.000 1.145 102 T CB 0.781 69.427 68.868 -0.369 0.000 0.876 102 T HN -0.382 7.703 8.240 -0.049 0.125 0.449 103 Y N -1.003 119.275 120.300 -0.037 0.000 2.510 103 Y HA 0.107 4.638 4.550 -0.031 0.000 0.273 103 Y C 0.817 176.694 175.900 -0.037 0.000 1.119 103 Y CA 0.889 58.967 58.100 -0.036 0.000 1.286 103 Y CB 0.734 39.170 38.460 -0.040 0.000 1.061 103 Y HN 0.143 8.461 8.280 0.064 0.000 0.542 104 G N -2.191 106.657 108.800 0.080 0.000 2.176 104 G HA2 -0.410 3.618 3.960 0.009 0.000 0.253 104 G HA3 -0.410 3.567 3.960 0.028 0.000 0.253 104 G C -0.692 174.220 174.900 0.021 0.000 0.979 104 G CA -0.028 45.092 45.100 0.033 0.000 0.641 104 G HN -0.098 8.099 8.290 0.060 0.129 0.530 105 S N -1.690 114.034 115.700 0.039 0.000 2.604 105 S HA 0.007 4.454 4.470 -0.039 0.000 0.296 105 S C -1.831 172.752 174.600 -0.028 0.000 1.097 105 S CA -0.184 58.007 58.200 -0.016 0.000 0.883 105 S CB 1.331 64.507 63.200 -0.039 0.000 1.081 105 S HN -0.431 7.870 8.310 0.100 0.069 0.448 106 L N 8.518 129.705 121.223 -0.060 0.000 2.462 106 L HA 0.174 4.634 4.340 -0.069 -0.161 0.283 106 L C -0.951 175.865 176.870 -0.091 0.000 1.166 106 L CA -0.456 54.340 54.840 -0.072 0.000 0.964 106 L CB -1.425 40.594 42.059 -0.066 0.000 1.294 106 L HN 0.476 8.660 8.230 -0.076 0.000 0.449 107 V N 5.696 125.546 119.914 -0.107 0.000 2.323 107 V HA -0.175 3.893 4.120 -0.087 0.000 0.244 107 V C -1.166 174.874 176.094 -0.089 0.000 1.041 107 V CA 1.851 64.089 62.300 -0.103 0.000 1.025 107 V CB 0.694 32.439 31.823 -0.131 0.000 0.656 107 V HN -0.298 7.923 8.190 -0.125 -0.106 0.451 108 N N -3.611 115.023 118.700 -0.109 0.000 2.491 108 N HA 0.236 5.229 4.740 -0.058 -0.288 0.274 108 N C 0.793 176.232 175.510 -0.119 0.000 1.023 108 N CA -1.928 51.067 53.050 -0.093 0.000 0.902 108 N CB 0.698 39.127 38.487 -0.097 0.000 1.267 108 N HN -0.617 7.680 8.380 -0.137 0.000 0.503 109 I N 6.616 127.130 120.570 -0.093 0.000 2.567 109 I HA -0.413 3.675 4.170 -0.137 0.000 0.257 109 I C 0.148 176.079 176.117 -0.311 0.000 1.184 109 I CA 2.314 63.533 61.300 -0.135 0.000 1.451 109 I CB 0.304 38.290 38.000 -0.023 0.000 1.089 109 I HN -0.059 8.362 8.210 -0.043 -0.237 0.441 110 E N 0.517 120.501 120.200 -0.359 0.000 2.118 110 E HA -0.484 3.105 4.350 -1.268 0.000 0.195 110 E C 1.635 177.975 176.600 -0.434 0.000 0.992 110 E CA 3.697 59.714 56.400 -0.639 0.000 0.804 110 E CB -0.498 28.993 29.700 -0.349 0.000 0.741 110 E HN 0.346 8.864 8.360 -0.200 -0.278 0.458 111 N N -0.437 118.099 118.700 -0.273 0.000 2.120 111 N HA -0.271 4.360 4.740 -0.181 0.000 0.188 111 N C 2.116 177.492 175.510 -0.222 0.000 1.024 111 N CA 3.088 56.014 53.050 -0.206 0.000 0.852 111 N CB 0.086 38.477 38.487 -0.160 0.000 1.003 111 N HN -0.667 7.458 8.380 -0.233 0.116 0.424 112 L N 0.359 121.426 121.223 -0.260 0.000 1.989 112 L HA -0.284 3.929 4.340 -0.210 0.000 0.211 112 L C 1.222 177.858 176.870 -0.391 0.000 1.071 112 L CA 3.042 57.712 54.840 -0.284 0.000 0.749 112 L CB -0.379 41.502 42.059 -0.297 0.000 0.890 112 L HN -0.661 7.329 8.230 -0.257 0.086 0.431 113 V N -1.067 118.510 119.914 -0.561 0.000 2.295 113 V HA -0.550 3.022 4.120 -0.914 0.000 0.246 113 V C 1.606 177.520 176.094 -0.300 0.000 1.049 113 V CA 3.982 65.899 62.300 -0.638 0.000 1.024 113 V CB -0.663 30.775 31.823 -0.642 0.000 0.648 113 V HN -0.514 7.339 8.190 -0.561 0.000 0.447 114 K N -0.509 119.741 120.400 -0.249 0.000 2.074 114 K HA -0.438 3.831 4.320 -0.085 0.000 0.209 114 K C 2.281 178.848 176.600 -0.056 0.000 1.048 114 K CA 4.277 60.492 56.287 -0.121 0.000 0.926 114 K CB -0.410 32.025 32.500 -0.108 0.000 0.713 114 K HN 0.165 8.222 8.250 -0.322 0.000 0.444 115 R N -1.235 119.236 120.500 -0.048 0.000 2.081 115 R HA -0.315 4.062 4.340 0.062 0.000 0.235 115 R C 2.179 178.566 176.300 0.144 0.000 1.131 115 R CA 3.418 59.555 56.100 0.062 0.000 0.960 115 R CB -0.112 30.233 30.300 0.075 0.000 0.856 115 R HN -0.210 7.996 8.270 -0.105 0.001 0.436 116 V N -0.904 119.082 119.914 0.120 0.000 2.626 116 V HA -0.376 3.845 4.120 0.169 0.000 0.252 116 V C 0.864 176.938 176.094 -0.033 0.000 1.067 116 V CA 2.936 65.306 62.300 0.116 0.000 1.081 116 V CB -0.129 31.790 31.823 0.159 0.000 0.686 116 V HN -0.582 7.611 8.190 0.004 0.000 0.468 117 A N 0.595 123.411 122.820 -0.006 0.000 1.855 117 A HA -0.257 4.070 4.320 0.011 0.000 0.215 117 A C 1.704 179.289 177.584 0.003 0.000 1.191 117 A CA 3.145 55.185 52.037 0.006 0.000 0.613 117 A CB -0.665 18.351 19.000 0.026 0.000 0.829 117 A HN 0.322 8.366 8.150 -0.017 0.096 0.442 118 D N -1.455 118.953 120.400 0.014 0.000 2.149 118 D HA -0.355 4.319 4.640 0.055 0.000 0.198 118 D C 2.619 178.941 176.300 0.036 0.000 0.990 118 D CA 3.444 57.467 54.000 0.039 0.000 0.839 118 D CB -0.866 39.963 40.800 0.048 0.000 0.948 118 D HN 0.003 8.380 8.370 0.012 0.000 0.460 119 Q N -0.446 119.320 119.800 -0.056 0.000 2.030 119 Q HA -0.320 3.994 4.340 -0.043 0.000 0.204 119 Q C 2.413 178.411 176.000 -0.004 0.000 0.986 119 Q CA 2.853 58.571 55.803 -0.141 0.000 0.843 119 Q CB -0.195 28.185 28.738 -0.597 0.000 0.904 119 Q HN -0.531 7.686 8.270 -0.074 0.009 0.420 120 M N -1.002 118.536 119.600 -0.103 0.000 2.065 120 M HA -0.432 4.044 4.480 -0.007 0.000 0.259 120 M C 2.445 178.853 176.300 0.179 0.000 1.071 120 M CA 3.774 59.073 55.300 -0.002 0.000 1.109 120 M CB -0.203 32.363 32.600 -0.057 0.000 1.313 120 M HN -0.620 7.503 8.290 -0.175 0.063 0.408 121 Q N -0.842 119.033 119.800 0.126 0.000 2.217 121 Q HA -0.379 4.031 4.340 0.117 0.000 0.209 121 Q C 3.157 179.276 176.000 0.200 0.000 0.988 121 Q CA 3.146 59.031 55.803 0.136 0.000 0.878 121 Q CB -0.650 28.147 28.738 0.098 0.000 0.909 121 Q HN 0.220 8.427 8.270 0.074 0.107 0.424 122 Q N -0.385 119.584 119.800 0.281 0.000 2.096 122 Q HA -0.317 4.239 4.340 0.360 0.000 0.204 122 Q C 2.175 178.378 176.000 0.339 0.000 0.982 122 Q CA 3.210 59.224 55.803 0.352 0.000 0.850 122 Q CB -0.000 28.917 28.738 0.299 0.000 0.901 122 Q HN -0.173 8.135 8.270 0.253 0.114 0.422 123 Y N -6.038 114.353 120.300 0.152 0.000 2.680 123 Y HA -0.112 4.502 4.550 0.106 0.000 0.303 123 Y C 0.999 176.924 175.900 0.042 0.000 1.166 123 Y CA 1.293 59.450 58.100 0.096 0.000 1.344 123 Y CB -0.932 37.562 38.460 0.056 0.000 1.002 123 Y HN -0.350 8.369 8.280 0.874 0.086 0.537 124 T N -1.659 113.000 114.554 0.174 0.000 2.985 124 T HA -0.142 4.226 4.350 0.031 0.000 0.266 124 T C 0.652 175.317 174.700 -0.058 0.000 1.076 124 T CA 2.591 64.717 62.100 0.043 0.000 1.135 124 T CB 0.676 69.567 68.868 0.038 0.000 0.890 124 T HN -0.310 7.843 8.240 0.220 0.219 0.480 125 Q N -2.326 117.430 119.800 -0.074 0.000 2.179 125 Q HA 0.181 4.398 4.340 -0.205 0.000 0.244 125 Q C 1.180 176.985 176.000 -0.326 0.000 0.808 125 Q CA -0.222 55.448 55.803 -0.221 0.000 0.955 125 Q CB 1.661 30.232 28.738 -0.279 0.000 1.141 125 Q HN -0.401 7.736 8.270 0.008 0.137 0.485 126 Y N 3.379 123.622 120.300 -0.094 0.000 3.057 126 Y HA -0.158 4.341 4.550 -0.085 0.000 0.389 126 Y C 0.566 176.394 175.900 -0.121 0.000 1.049 126 Y CA 1.105 59.133 58.100 -0.120 0.000 1.876 126 Y CB -2.176 36.181 38.460 -0.172 0.000 1.918 126 Y HN -0.088 8.203 8.280 0.019 0.000 0.446 127 G N 1.250 110.026 108.800 -0.040 0.000 2.634 127 G HA2 -0.446 3.485 3.960 -0.048 0.000 0.309 127 G HA3 -0.446 3.507 3.960 -0.012 0.000 0.309 127 G C 0.120 175.004 174.900 -0.026 0.000 1.265 127 G CA -0.475 44.608 45.100 -0.029 0.000 0.998 127 G HN -0.415 7.719 8.290 -0.108 0.091 0.551 128 G N 0.369 109.158 108.800 -0.019 0.000 2.451 128 G HA2 -0.177 3.774 3.960 -0.015 0.000 0.287 128 G HA3 -0.177 3.772 3.960 -0.019 0.000 0.287 128 G C -1.217 173.660 174.900 -0.039 0.000 0.617 128 G CA 1.251 46.337 45.100 -0.022 0.000 2.108 128 G HN 0.142 8.426 8.290 -0.010 0.000 0.531 129 V N 0.657 120.552 119.914 -0.032 0.000 2.881 129 V HA -0.024 4.092 4.120 -0.007 0.000 0.275 129 V C -2.295 173.819 176.094 0.035 0.000 1.518 129 V CA -0.397 61.891 62.300 -0.019 0.000 0.936 129 V CB 3.259 35.004 31.823 -0.130 0.000 1.165 129 V HN -0.468 7.674 8.190 -0.023 0.034 0.447 130 R N 8.242 128.761 120.500 0.031 0.000 2.442 130 R HA 0.162 4.514 4.340 0.022 0.000 0.291 130 R C -1.805 174.497 176.300 0.003 0.000 1.069 130 R CA -1.466 54.642 56.100 0.014 0.000 1.022 130 R CB 0.386 30.676 30.300 -0.015 0.000 0.976 130 R HN 0.183 8.463 8.270 0.017 0.000 0.443 131 P HA -0.026 4.462 4.420 0.112 0.000 0.271 131 P C -1.304 175.950 177.300 -0.077 0.000 1.233 131 P CA -0.300 62.819 63.100 0.032 0.000 0.789 131 P CB 0.624 32.366 31.700 0.069 0.000 0.951 132 Y N -0.979 119.275 120.300 -0.076 0.000 2.480 132 Y HA -0.095 4.564 4.550 -0.098 -0.168 0.341 132 Y C 1.601 177.478 175.900 -0.040 0.000 1.031 132 Y CA 0.968 59.008 58.100 -0.101 0.000 1.295 132 Y CB 0.152 38.509 38.460 -0.173 0.000 1.162 132 Y HN 0.223 8.612 8.280 0.182 0.000 0.523 133 G N 5.838 114.699 108.800 0.102 0.000 3.209 133 G HA2 0.051 4.057 3.960 0.076 0.000 0.274 133 G HA3 0.051 4.045 3.960 0.057 0.000 0.274 133 G C -2.606 172.334 174.900 0.067 0.000 0.850 133 G CA -0.109 45.036 45.100 0.075 0.000 1.907 133 G HN 0.681 9.295 8.290 0.070 -0.283 0.591 134 V N 1.807 121.761 119.914 0.066 0.000 3.177 134 V HA 0.716 4.981 4.120 0.020 -0.133 0.287 134 V C -3.197 172.905 176.094 0.014 0.000 1.465 134 V CA -1.400 60.919 62.300 0.031 0.000 1.020 134 V CB 3.330 35.166 31.823 0.022 0.000 1.152 134 V HN -0.593 7.606 8.190 0.080 0.040 0.448 135 S N 2.611 118.305 115.700 -0.011 0.000 2.570 135 S HA 0.970 5.591 4.470 -0.005 -0.154 0.286 135 S C -1.792 172.764 174.600 -0.073 0.000 1.099 135 S CA -1.286 56.901 58.200 -0.021 0.000 0.913 135 S CB 3.047 66.242 63.200 -0.008 0.000 1.085 135 S HN 0.266 8.565 8.310 -0.019 0.000 0.480 136 L N -3.719 117.439 121.223 -0.109 0.000 2.568 136 L HA 0.876 5.196 4.340 -0.208 -0.105 0.257 136 L C -2.223 174.475 176.870 -0.286 0.000 1.024 136 L CA -0.690 54.005 54.840 -0.242 0.000 0.854 136 L CB 3.511 45.347 42.059 -0.372 0.000 1.460 136 L HN 0.695 8.891 8.230 -0.057 0.000 0.409 137 I N -6.970 113.381 120.570 -0.365 0.000 2.545 137 I HA 0.775 5.005 4.170 -0.094 -0.116 0.292 137 I C -2.004 173.908 176.117 -0.343 0.000 1.040 137 I CA -1.950 59.210 61.300 -0.232 0.000 1.068 137 I CB 3.473 41.404 38.000 -0.116 0.000 1.251 137 I HN 0.718 8.705 8.210 -0.371 0.000 0.424 138 F N 5.176 125.195 119.950 0.116 0.000 2.443 138 F HA 0.744 5.475 4.527 0.081 -0.156 0.335 138 F C -1.020 174.889 175.800 0.181 0.000 1.104 138 F CA -2.146 55.929 58.000 0.126 0.000 1.013 138 F CB 2.943 42.013 39.000 0.118 0.000 1.136 138 F HN 0.428 8.919 8.300 0.320 0.000 0.470 139 A N 0.940 123.959 122.820 0.331 0.000 2.515 139 A HA 1.115 5.809 4.320 0.290 -0.199 0.298 139 A C -1.959 175.840 177.584 0.358 0.000 1.059 139 A CA -1.563 50.650 52.037 0.294 0.000 0.698 139 A CB 4.024 23.154 19.000 0.218 0.000 1.289 139 A HN 1.055 9.391 8.150 0.311 0.000 0.404 140 G N -0.543 108.411 108.800 0.256 0.000 2.317 140 G HA2 0.446 4.473 3.960 0.111 0.000 0.293 140 G HA3 0.446 4.714 3.960 0.302 -0.126 0.293 140 G C -3.513 171.440 174.900 0.089 0.000 1.287 140 G CA 0.855 46.079 45.100 0.208 0.000 0.850 140 G HN 0.060 8.468 8.290 0.196 0.000 0.515 141 I N 0.556 121.167 120.570 0.068 0.000 2.465 141 I HA 0.792 5.143 4.170 0.040 -0.157 0.291 141 I C -2.568 173.604 176.117 0.091 0.000 1.014 141 I CA -3.182 58.147 61.300 0.048 0.000 1.093 141 I CB 2.778 40.771 38.000 -0.012 0.000 1.267 141 I HN -0.352 7.920 8.210 0.102 0.000 0.431 142 D N 8.436 128.873 120.400 0.061 0.000 2.668 142 D HA 0.247 4.902 4.640 0.025 0.000 0.249 142 D C -0.791 175.514 176.300 0.009 0.000 1.150 142 D CA -1.593 52.426 54.000 0.032 0.000 1.090 142 D CB 1.955 42.769 40.800 0.025 0.000 1.244 142 D HN 0.359 8.664 8.370 0.056 0.099 0.636 143 Q N -1.299 118.492 119.800 -0.014 0.000 2.170 143 Q HA -0.220 4.108 4.340 -0.021 0.000 0.203 143 Q C 1.754 177.750 176.000 -0.007 0.000 0.976 143 Q CA 2.324 58.115 55.803 -0.020 0.000 0.858 143 Q CB 0.065 28.781 28.738 -0.036 0.000 0.907 143 Q HN -0.268 7.987 8.270 -0.026 0.000 0.433 144 I N -4.250 116.322 120.570 0.004 0.000 2.480 144 I HA -0.102 4.070 4.170 0.003 0.000 0.251 144 I C 0.529 176.653 176.117 0.012 0.000 1.124 144 I CA 0.871 62.177 61.300 0.011 0.000 1.444 144 I CB 0.979 38.994 38.000 0.025 0.000 1.098 144 I HN -0.117 8.422 8.210 0.006 -0.325 0.428 145 G N -3.235 105.575 108.800 0.017 0.000 2.320 145 G HA2 -0.082 3.878 3.960 0.000 0.000 0.274 145 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.274 145 G C -3.355 171.550 174.900 0.008 0.000 1.324 145 G CA -0.277 44.826 45.100 0.005 0.000 0.957 145 G HN -0.401 8.104 8.290 0.024 -0.200 0.481 146 P HA 0.139 4.669 4.420 -0.042 -0.135 0.268 146 P C -1.618 175.683 177.300 0.003 0.000 1.204 146 P CA 0.178 63.250 63.100 -0.047 0.000 0.768 146 P CB 0.288 31.909 31.700 -0.132 0.000 0.842 147 R N 0.067 120.602 120.500 0.059 0.000 2.771 147 R HA 0.466 4.916 4.340 0.016 -0.100 0.274 147 R C -2.043 174.334 176.300 0.128 0.000 0.987 147 R CA -1.457 54.712 56.100 0.116 0.000 0.908 147 R CB 4.794 35.292 30.300 0.331 0.000 1.213 147 R HN 0.963 9.272 8.270 0.065 0.000 0.468 148 L N 1.777 122.980 121.223 -0.033 0.000 2.516 148 L HA 0.748 5.395 4.340 0.200 -0.187 0.267 148 L C -2.433 174.337 176.870 -0.166 0.000 0.957 148 L CA -0.219 54.637 54.840 0.026 0.000 0.860 148 L CB 3.519 45.572 42.059 -0.009 0.000 1.265 148 L HN -0.011 8.201 8.230 -0.278 -0.149 0.403 149 F N 5.235 125.312 119.950 0.211 0.000 2.588 149 F HA 1.094 6.026 4.527 0.308 -0.220 0.314 149 F C -1.364 174.584 175.800 0.248 0.000 1.069 149 F CA -2.077 56.080 58.000 0.262 0.000 0.931 149 F CB 4.709 43.848 39.000 0.232 0.000 1.260 149 F HN 0.961 9.553 8.300 0.486 0.000 0.465 150 D N -0.399 120.270 120.400 0.448 0.000 2.490 150 D HA 0.567 5.443 4.640 0.168 -0.134 0.232 150 D C -1.766 174.702 176.300 0.280 0.000 1.053 150 D CA -1.843 52.310 54.000 0.255 0.000 0.914 150 D CB 3.834 44.688 40.800 0.091 0.000 1.431 150 D HN 0.510 9.200 8.370 0.533 0.000 0.483 151 C N 0.515 119.923 119.300 0.179 0.000 2.752 151 C HA 0.842 5.657 4.460 0.175 -0.251 0.360 151 C C -1.975 173.071 174.990 0.092 0.000 1.081 151 C CA -1.962 57.156 59.018 0.167 0.000 1.272 151 C CB 3.326 31.207 27.740 0.236 0.000 1.754 151 C HN 0.564 8.854 8.230 0.099 0.000 0.483 152 D N 7.602 128.053 120.400 0.086 0.000 2.487 152 D HA 0.745 5.413 4.640 0.047 0.000 0.262 152 D C -0.751 175.583 176.300 0.058 0.000 1.130 152 D CA -3.026 51.011 54.000 0.062 0.000 1.038 152 D CB -0.719 40.119 40.800 0.064 0.000 1.142 152 D HN -0.195 8.236 8.370 0.102 0.000 0.575 153 P HA -0.123 4.342 4.420 0.076 0.000 0.220 153 P C -0.723 176.619 177.300 0.070 0.000 1.148 153 P CA 1.922 65.064 63.100 0.069 0.000 0.803 153 P CB 0.164 31.907 31.700 0.071 0.000 0.782 154 A N -7.126 115.729 122.820 0.059 0.000 2.119 154 A HA -0.157 4.191 4.320 0.048 0.000 0.217 154 A C 0.464 178.085 177.584 0.061 0.000 1.153 154 A CA 0.552 52.621 52.037 0.053 0.000 0.692 154 A CB -0.070 18.957 19.000 0.044 0.000 0.799 154 A HN -0.129 8.259 8.150 0.057 -0.204 0.458 155 G N -3.781 105.057 108.800 0.064 0.000 2.141 155 G HA2 -0.297 3.697 3.960 0.057 0.000 0.231 155 G HA3 -0.297 3.700 3.960 0.063 0.000 0.231 155 G C -0.191 174.750 174.900 0.069 0.000 0.984 155 G CA -0.087 45.051 45.100 0.063 0.000 0.660 155 G HN -0.152 8.096 8.290 0.064 0.081 0.525 156 T N 3.231 117.830 114.554 0.075 0.000 2.869 156 T HA 0.119 4.512 4.350 0.072 0.000 0.295 156 T C -1.413 173.355 174.700 0.113 0.000 0.987 156 T CA 1.283 63.432 62.100 0.082 0.000 1.109 156 T CB 0.985 69.899 68.868 0.077 0.000 0.932 156 T HN 0.182 8.753 8.240 0.072 -0.288 0.518 157 I N 4.613 125.256 120.570 0.122 0.000 2.730 157 I HA 0.840 5.367 4.170 0.220 -0.225 0.298 157 I C -2.335 173.893 176.117 0.186 0.000 1.089 157 I CA -2.628 58.782 61.300 0.184 0.000 1.041 157 I CB 3.928 42.029 38.000 0.168 0.000 1.235 157 I HN 0.238 8.507 8.210 0.098 0.000 0.423 158 N N 6.510 125.357 118.700 0.246 0.000 2.405 158 N HA 0.239 5.005 4.740 0.042 0.000 0.274 158 N C -2.774 172.721 175.510 -0.024 0.000 1.170 158 N CA -0.464 52.617 53.050 0.052 0.000 0.848 158 N CB 3.992 42.367 38.487 -0.187 0.000 1.629 158 N HN 0.069 8.745 8.380 0.343 -0.091 0.481 159 E N 0.760 120.761 120.200 -0.333 0.000 2.191 159 E HA 0.612 4.657 4.350 -0.838 -0.197 0.278 159 E C -1.139 175.150 176.600 -0.518 0.000 0.972 159 E CA -1.067 54.927 56.400 -0.677 0.000 0.804 159 E CB 2.082 31.241 29.700 -0.901 0.000 1.110 159 E HN 0.178 8.373 8.360 -0.274 0.000 0.394 160 Y N 4.260 124.358 120.300 -0.338 0.000 2.659 160 Y HA 0.135 4.578 4.550 -0.178 0.000 0.333 160 Y C -0.640 175.137 175.900 -0.205 0.000 1.064 160 Y CA -0.501 57.469 58.100 -0.217 0.000 1.141 160 Y CB 2.145 40.500 38.460 -0.175 0.000 1.316 160 Y HN 0.709 8.900 8.280 -0.148 0.000 0.509 161 K N -0.771 119.628 120.400 -0.001 0.000 2.242 161 K HA -0.087 4.216 4.320 -0.028 0.000 0.200 161 K C -0.983 175.476 176.600 -0.235 0.000 1.050 161 K CA 0.933 57.170 56.287 -0.083 0.000 0.981 161 K CB 0.963 33.416 32.500 -0.079 0.000 0.795 161 K HN 0.353 8.630 8.250 0.044 0.000 0.477 162 A N -4.780 117.883 122.820 -0.261 0.000 2.590 162 A HA 0.506 4.839 4.320 -0.214 -0.142 0.294 162 A C -2.025 175.399 177.584 -0.266 0.000 1.046 162 A CA -0.244 51.595 52.037 -0.330 0.000 0.684 162 A CB 2.103 20.686 19.000 -0.694 0.000 1.279 162 A HN -0.713 7.376 8.150 -0.101 0.000 0.415 163 T N -0.340 114.025 114.554 -0.315 0.000 2.700 163 T HA 0.301 4.445 4.350 -0.343 0.000 0.307 163 T C -2.645 171.866 174.700 -0.315 0.000 1.580 163 T CA -1.043 60.788 62.100 -0.449 0.000 0.992 163 T CB 1.522 69.699 68.868 -1.151 0.000 1.577 163 T HN 0.874 8.861 8.240 -0.252 0.102 0.496 164 A N -0.188 122.459 122.820 -0.289 0.000 2.524 164 A HA 0.585 4.867 4.320 -0.185 -0.073 0.289 164 A C -3.057 174.422 177.584 -0.175 0.000 1.248 164 A CA -1.385 50.536 52.037 -0.193 0.000 0.712 164 A CB 3.107 22.025 19.000 -0.136 0.000 1.312 164 A HN 0.193 8.145 8.150 -0.330 0.000 0.441 165 I N -2.086 118.410 120.570 -0.123 0.000 2.897 165 I HA 0.182 4.303 4.170 -0.082 0.000 0.299 165 I C -1.621 174.455 176.117 -0.069 0.000 1.527 165 I CA -1.071 60.173 61.300 -0.094 0.000 0.979 165 I CB 4.146 42.085 38.000 -0.103 0.000 1.360 165 I HN 0.653 8.795 8.210 -0.114 0.000 0.495 166 G N 3.468 112.239 108.800 -0.048 0.000 2.445 166 G HA2 -0.367 3.736 3.960 -0.029 0.000 0.212 166 G HA3 -0.367 3.833 3.960 -0.043 -0.265 0.212 166 G C 0.036 174.922 174.900 -0.023 0.000 1.217 166 G CA 0.139 45.217 45.100 -0.036 0.000 1.002 166 G HN -0.338 7.928 8.290 -0.040 0.000 0.574 167 S N 3.503 119.190 115.700 -0.021 0.000 2.380 167 S HA -0.123 4.595 4.470 -0.007 -0.252 0.217 167 S C 2.599 177.193 174.600 -0.011 0.000 1.036 167 S CA 2.517 60.709 58.200 -0.013 0.000 1.050 167 S CB 0.057 63.250 63.200 -0.013 0.000 1.016 167 S HN -0.095 8.091 8.310 -0.025 0.109 0.419 168 G N 0.029 108.820 108.800 -0.016 0.000 3.375 168 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.247 168 G HA3 -0.001 3.953 3.960 -0.011 0.000 0.247 168 G C -0.519 174.373 174.900 -0.014 0.000 1.343 168 G CA -0.632 44.462 45.100 -0.010 0.000 1.368 168 G HN 0.381 8.658 8.290 -0.021 0.000 0.549 169 K N 2.402 122.791 120.400 -0.018 0.000 1.987 169 K HA -0.370 3.924 4.320 -0.044 0.000 0.216 169 K C 0.842 177.437 176.600 -0.008 0.000 1.051 169 K CA 3.878 60.149 56.287 -0.026 0.000 0.942 169 K CB -0.001 32.483 32.500 -0.027 0.000 0.722 169 K HN -0.335 7.799 8.250 -0.016 0.107 0.444 170 D N -0.875 119.529 120.400 0.007 0.000 2.149 170 D HA -0.389 4.265 4.640 0.022 0.000 0.194 170 D C 1.901 178.221 176.300 0.032 0.000 1.001 170 D CA 3.587 57.599 54.000 0.021 0.000 0.849 170 D CB -0.786 40.028 40.800 0.024 0.000 0.939 170 D HN 0.317 8.691 8.370 0.006 0.000 0.449 171 A N 0.183 123.023 122.820 0.032 0.000 1.834 171 A HA -0.295 4.061 4.320 0.060 0.000 0.216 171 A C 1.651 179.283 177.584 0.081 0.000 1.203 171 A CA 2.980 55.049 52.037 0.054 0.000 0.621 171 A CB -0.874 18.152 19.000 0.044 0.000 0.841 171 A HN -0.157 7.997 8.150 0.022 0.008 0.446 172 V N -0.539 119.400 119.914 0.043 0.000 2.392 172 V HA -0.414 3.741 4.120 0.059 0.000 0.249 172 V C 1.704 177.827 176.094 0.048 0.000 1.059 172 V CA 3.209 65.523 62.300 0.024 0.000 1.051 172 V CB 0.148 31.936 31.823 -0.060 0.000 0.658 172 V HN -0.331 7.869 8.190 0.017 0.000 0.455 173 V N 0.045 119.974 119.914 0.025 0.000 2.407 173 V HA -0.538 3.579 4.120 -0.006 0.000 0.248 173 V C 1.319 177.460 176.094 0.078 0.000 1.055 173 V CA 4.144 66.458 62.300 0.023 0.000 1.049 173 V CB -0.093 31.730 31.823 0.001 0.000 0.662 173 V HN 0.588 8.775 8.190 0.010 0.009 0.455 174 S N 1.015 116.772 115.700 0.096 0.000 2.356 174 S HA -0.345 4.174 4.470 0.080 0.000 0.223 174 S C 1.873 176.570 174.600 0.161 0.000 1.032 174 S CA 4.117 62.379 58.200 0.103 0.000 1.005 174 S CB -0.368 62.880 63.200 0.079 0.000 0.867 174 S HN -0.473 7.881 8.310 0.083 0.006 0.449 175 F N 3.419 123.382 119.950 0.022 0.000 2.063 175 F HA -0.435 4.110 4.527 0.031 0.000 0.298 175 F C 1.089 176.921 175.800 0.054 0.000 1.109 175 F CA 3.233 61.252 58.000 0.032 0.000 1.212 175 F CB -0.132 38.883 39.000 0.025 0.000 0.973 175 F HN -0.586 7.885 8.300 0.286 0.000 0.480 176 L N -1.716 119.769 121.223 0.436 0.000 2.017 176 L HA -0.419 4.191 4.340 0.450 0.000 0.208 176 L C 2.250 179.270 176.870 0.251 0.000 1.073 176 L CA 2.649 57.682 54.840 0.323 0.000 0.745 176 L CB -1.714 40.414 42.059 0.114 0.000 0.894 176 L HN -0.071 8.355 8.230 0.327 0.000 0.432 177 E N -0.828 119.467 120.200 0.159 0.000 2.233 177 E HA -0.341 4.073 4.350 0.107 0.000 0.199 177 E C 1.800 178.469 176.600 0.116 0.000 1.004 177 E CA 2.759 59.229 56.400 0.117 0.000 0.819 177 E CB -0.165 29.585 29.700 0.083 0.000 0.738 177 E HN -0.065 8.217 8.360 0.143 0.164 0.478 178 R N -2.155 118.414 120.500 0.115 0.000 2.084 178 R HA 0.062 4.434 4.340 0.052 0.000 0.209 178 R C 1.597 177.938 176.300 0.070 0.000 1.173 178 R CA 1.323 57.458 56.100 0.058 0.000 1.053 178 R CB 1.189 31.478 30.300 -0.019 0.000 0.948 178 R HN -0.380 7.816 8.270 0.141 0.159 0.460 179 E N -2.283 117.974 120.200 0.095 0.000 2.419 179 E HA 0.014 4.395 4.350 0.052 0.000 0.190 179 E C -0.460 176.269 176.600 0.214 0.000 1.040 179 E CA -0.210 56.258 56.400 0.113 0.000 0.900 179 E CB 0.751 30.474 29.700 0.038 0.000 1.054 179 E HN 0.057 8.383 8.360 0.119 0.106 0.462 180 Y N 1.902 122.280 120.300 0.130 0.000 2.465 180 Y HA -0.173 4.455 4.550 0.130 0.000 0.331 180 Y C -0.781 175.168 175.900 0.081 0.000 1.102 180 Y CA 1.141 59.309 58.100 0.113 0.000 1.358 180 Y CB 0.297 38.816 38.460 0.098 0.000 1.213 180 Y HN -0.435 7.981 8.280 0.327 0.060 0.525 181 K N 9.200 129.219 120.400 -0.636 0.000 2.316 181 K HA 0.211 4.347 4.320 -0.306 0.000 0.267 181 K C -0.048 176.103 176.600 -0.748 0.000 1.025 181 K CA -1.664 54.326 56.287 -0.494 0.000 0.896 181 K CB 0.878 33.239 32.500 -0.232 0.000 1.124 181 K HN 0.259 8.157 8.250 -0.586 0.000 0.451 182 E N 6.627 126.540 120.200 -0.478 0.000 2.124 182 E HA -0.459 3.807 4.350 -0.141 0.000 0.244 182 E C 0.870 177.400 176.600 -0.116 0.000 1.019 182 E CA 2.977 59.244 56.400 -0.221 0.000 0.941 182 E CB 0.115 29.788 29.700 -0.044 0.000 0.851 182 E HN 0.645 8.818 8.360 -0.312 0.000 0.537 183 N N -0.226 118.446 118.700 -0.047 0.000 2.994 183 N HA -0.019 4.762 4.740 0.069 0.000 0.306 183 N C -1.046 174.478 175.510 0.023 0.000 1.348 183 N CA -0.368 52.696 53.050 0.023 0.000 1.109 183 N CB -0.675 37.833 38.487 0.034 0.000 1.415 183 N HN 0.171 8.519 8.380 -0.052 0.000 0.529 184 L N 3.511 124.728 121.223 -0.011 0.000 2.462 184 L HA 0.124 4.448 4.340 -0.027 0.000 0.272 184 L C -1.981 174.910 176.870 0.036 0.000 1.166 184 L CA -1.988 52.843 54.840 -0.014 0.000 0.880 184 L CB 0.644 42.665 42.059 -0.063 0.000 1.142 184 L HN -0.730 7.382 8.230 -0.063 0.080 0.473 185 P HA 0.062 4.514 4.420 0.055 0.000 0.271 185 P C 0.382 177.562 177.300 -0.200 0.000 1.218 185 P CA -0.375 62.709 63.100 -0.025 0.000 0.780 185 P CB 0.747 32.442 31.700 -0.008 0.000 0.901 186 E N 6.077 125.997 120.200 -0.466 0.000 2.110 186 E HA -0.590 2.845 4.350 -1.525 0.000 0.225 186 E C 1.757 178.148 176.600 -0.349 0.000 1.063 186 E CA 4.964 60.869 56.400 -0.826 0.000 0.906 186 E CB 0.084 29.354 29.700 -0.716 0.000 0.795 186 E HN 0.461 8.631 8.360 -0.317 0.000 0.479 187 K N -2.060 118.276 120.400 -0.107 0.000 2.059 187 K HA -0.403 4.064 4.320 0.245 0.000 0.212 187 K C 2.488 179.140 176.600 0.087 0.000 1.050 187 K CA 3.581 59.929 56.287 0.101 0.000 0.927 187 K CB -0.448 32.124 32.500 0.120 0.000 0.714 187 K HN 0.116 8.308 8.250 -0.097 0.000 0.447 188 E N -1.843 118.359 120.200 0.004 0.000 2.152 188 E HA -0.212 4.170 4.350 0.053 0.000 0.192 188 E C 2.130 178.718 176.600 -0.019 0.000 0.983 188 E CA 2.706 59.113 56.400 0.012 0.000 0.818 188 E CB -0.081 29.617 29.700 -0.002 0.000 0.758 188 E HN -0.382 7.958 8.360 -0.032 0.001 0.467 189 A N 1.624 124.387 122.820 -0.095 0.000 1.865 189 A HA -0.263 4.047 4.320 -0.016 0.000 0.217 189 A C 1.702 179.229 177.584 -0.095 0.000 1.191 189 A CA 3.360 55.343 52.037 -0.090 0.000 0.623 189 A CB -0.519 18.364 19.000 -0.195 0.000 0.826 189 A HN 0.327 8.200 8.150 -0.147 0.189 0.444 190 V N -2.451 117.350 119.914 -0.187 0.000 2.392 190 V HA -0.499 3.471 4.120 -0.250 0.000 0.249 190 V C 1.150 177.167 176.094 -0.127 0.000 1.059 190 V CA 4.301 66.447 62.300 -0.257 0.000 1.051 190 V CB -0.376 31.112 31.823 -0.558 0.000 0.658 190 V HN 0.613 8.553 8.190 -0.239 0.107 0.455 191 T N 3.774 118.334 114.554 0.010 0.000 2.595 191 T HA -0.394 4.041 4.350 0.141 0.000 0.264 191 T C 1.646 176.358 174.700 0.019 0.000 1.058 191 T CA 5.816 67.967 62.100 0.086 0.000 1.166 191 T CB -0.444 68.497 68.868 0.122 0.000 0.863 191 T HN -0.565 7.609 8.240 0.028 0.083 0.415 192 L N 0.650 121.888 121.223 0.024 0.000 2.089 192 L HA -0.413 3.984 4.340 0.095 0.000 0.213 192 L C 1.932 178.740 176.870 -0.105 0.000 1.079 192 L CA 3.053 57.913 54.840 0.034 0.000 0.758 192 L CB -0.683 41.426 42.059 0.083 0.000 0.891 192 L HN 0.240 8.488 8.230 0.029 0.000 0.433 193 G N -1.194 107.547 108.800 -0.098 0.000 2.505 193 G HA2 -0.386 3.464 3.960 -0.184 0.000 0.214 193 G HA3 -0.386 3.494 3.960 -0.133 0.000 0.214 193 G C 0.679 175.450 174.900 -0.214 0.000 1.237 193 G CA 1.831 46.834 45.100 -0.162 0.000 0.802 193 G HN 0.061 8.241 8.290 -0.058 0.075 0.549 194 I N 2.445 122.926 120.570 -0.148 0.000 2.236 194 I HA -0.556 3.537 4.170 -0.128 0.000 0.249 194 I C 1.330 177.375 176.117 -0.121 0.000 1.102 194 I CA 3.112 64.343 61.300 -0.114 0.000 1.365 194 I CB -0.067 37.908 38.000 -0.041 0.000 1.051 194 I HN 0.385 8.410 8.210 -0.129 0.107 0.420 195 K N -0.249 120.073 120.400 -0.130 0.000 2.001 195 K HA -0.496 3.822 4.320 -0.003 0.000 0.208 195 K C 1.531 177.914 176.600 -0.361 0.000 1.048 195 K CA 3.798 60.027 56.287 -0.096 0.000 0.932 195 K CB -0.095 32.438 32.500 0.055 0.000 0.715 195 K HN 0.230 8.390 8.250 -0.109 0.024 0.437 196 A N 0.005 122.258 122.820 -0.944 0.000 1.865 196 A HA -0.269 2.460 4.320 -2.652 0.000 0.217 196 A C 2.221 179.504 177.584 -0.502 0.000 1.191 196 A CA 2.970 54.138 52.037 -1.448 0.000 0.623 196 A CB -0.731 17.519 19.000 -1.250 0.000 0.826 196 A HN -0.328 7.285 8.150 -0.788 0.065 0.444 197 L N -1.676 119.357 121.223 -0.317 0.000 2.012 197 L HA -0.395 3.856 4.340 -0.147 0.000 0.210 197 L C 1.329 178.138 176.870 -0.103 0.000 1.073 197 L CA 3.108 57.848 54.840 -0.167 0.000 0.748 197 L CB -0.423 41.554 42.059 -0.137 0.000 0.891 197 L HN 0.186 8.103 8.230 -0.343 0.107 0.431 198 K N -1.347 118.997 120.400 -0.093 0.000 1.969 198 K HA -0.460 4.063 4.320 -0.021 -0.216 0.223 198 K C 2.456 179.063 176.600 0.012 0.000 1.048 198 K CA 3.287 59.558 56.287 -0.026 0.000 0.983 198 K CB -0.077 32.421 32.500 -0.003 0.000 0.738 198 K HN 0.021 8.085 8.250 -0.128 0.108 0.446 199 S N -1.748 113.991 115.700 0.065 0.000 2.425 199 S HA -0.458 4.085 4.470 0.121 0.000 0.256 199 S C 1.247 175.901 174.600 0.089 0.000 1.101 199 S CA 3.374 61.656 58.200 0.137 0.000 1.188 199 S CB -0.693 62.711 63.200 0.340 0.000 1.085 199 S HN -0.134 8.211 8.310 0.059 0.000 0.439 200 S N 1.766 117.505 115.700 0.065 0.000 2.557 200 S HA -0.234 4.272 4.470 0.060 0.000 0.225 200 S C 2.102 176.715 174.600 0.021 0.000 1.092 200 S CA 2.238 60.462 58.200 0.040 0.000 1.310 200 S CB 0.261 63.464 63.200 0.006 0.000 1.147 200 S HN -0.681 7.659 8.310 0.049 -0.001 0.402 201 L N -0.812 120.412 121.223 0.001 0.000 2.349 201 L HA -0.134 4.207 4.340 0.001 0.000 0.220 201 L C 2.000 178.873 176.870 0.005 0.000 1.130 201 L CA 1.590 56.429 54.840 -0.002 0.000 0.791 201 L CB -0.412 41.639 42.059 -0.014 0.000 0.918 201 L HN -0.475 7.748 8.230 -0.011 0.000 0.444 202 E N -1.336 118.870 120.200 0.010 0.000 2.651 202 E HA -0.108 4.248 4.350 0.009 0.000 0.236 202 E C 0.700 177.312 176.600 0.019 0.000 1.422 202 E CA -0.426 55.982 56.400 0.015 0.000 1.534 202 E CB -2.550 27.161 29.700 0.018 0.000 1.381 202 E HN 0.062 8.377 8.360 0.012 0.052 0.435 203 E N 0.479 120.689 120.200 0.016 0.000 2.216 203 E HA -0.107 4.254 4.350 0.019 0.000 0.192 203 E C 0.941 177.548 176.600 0.012 0.000 0.988 203 E CA 1.570 57.979 56.400 0.015 0.000 0.834 203 E CB 0.196 29.904 29.700 0.013 0.000 0.772 203 E HN 0.190 8.439 8.360 0.013 0.119 0.479 204 G N -1.081 107.724 108.800 0.009 0.000 3.440 204 G HA2 0.019 3.983 3.960 0.006 0.000 0.263 204 G HA3 0.019 3.981 3.960 0.004 0.000 0.263 204 G C -0.742 174.162 174.900 0.007 0.000 1.236 204 G CA -0.853 44.251 45.100 0.006 0.000 0.927 204 G HN -0.513 7.767 8.290 0.008 0.015 0.530 205 E N -0.741 119.465 120.200 0.010 0.000 4.201 205 E HA -0.621 3.738 4.350 0.015 0.000 0.197 205 E C -1.163 175.443 176.600 0.010 0.000 1.283 205 E CA 2.484 58.891 56.400 0.012 0.000 2.240 205 E CB -1.362 28.344 29.700 0.010 0.000 1.878 205 E HN -0.428 7.763 8.360 0.012 0.177 0.315 206 E N 1.300 121.504 120.200 0.008 0.000 2.328 206 E HA -0.112 4.243 4.350 0.008 0.000 0.265 206 E C 0.428 177.030 176.600 0.004 0.000 1.057 206 E CA 0.240 56.644 56.400 0.006 0.000 0.916 206 E CB 0.137 29.840 29.700 0.005 0.000 0.993 206 E HN -0.248 8.074 8.360 0.007 0.041 0.446 207 L N 7.690 128.915 121.223 0.004 0.000 2.478 207 L HA -0.165 4.370 4.340 -0.005 -0.199 0.223 207 L C -0.638 176.231 176.870 -0.003 0.000 1.140 207 L CA 0.992 55.831 54.840 -0.001 0.000 0.842 207 L CB -0.043 42.016 42.059 -0.000 0.000 0.953 207 L HN 0.300 8.534 8.230 0.008 0.000 0.452 208 K N -4.936 115.465 120.400 0.002 0.000 1.860 208 K HA -0.370 3.953 4.320 0.004 0.000 0.320 208 K C -1.351 175.251 176.600 0.004 0.000 1.716 208 K CA 1.314 57.602 56.287 0.002 0.000 0.609 208 K CB -0.717 31.781 32.500 -0.003 0.000 0.915 208 K HN -0.370 7.831 8.250 0.004 0.052 0.766 209 A N 1.961 124.781 122.820 0.001 0.000 2.256 209 A HA 0.437 4.765 4.320 0.013 0.000 0.317 209 A C -2.799 174.780 177.584 -0.008 0.000 1.318 209 A CA -2.278 49.762 52.037 0.005 0.000 0.894 209 A CB 0.260 19.265 19.000 0.009 0.000 1.165 209 A HN 0.094 8.243 8.150 -0.002 0.000 0.525 210 P HA 0.143 4.632 4.420 -0.044 -0.096 0.278 210 P C -1.740 175.532 177.300 -0.047 0.000 1.238 210 P CA -0.871 62.205 63.100 -0.040 0.000 0.794 210 P CB 1.024 32.691 31.700 -0.054 0.000 0.955 211 E N 2.425 122.586 120.200 -0.064 0.000 2.156 211 E HA 0.313 4.638 4.350 -0.042 0.000 0.279 211 E C -1.883 174.648 176.600 -0.115 0.000 0.965 211 E CA -1.307 55.054 56.400 -0.065 0.000 0.789 211 E CB 2.702 32.369 29.700 -0.055 0.000 1.098 211 E HN 0.547 8.866 8.360 -0.070 0.000 0.397 212 I N 5.257 125.738 120.570 -0.148 0.000 2.619 212 I HA 0.684 4.866 4.170 -0.223 -0.146 0.292 212 I C -3.004 172.978 176.117 -0.225 0.000 1.100 212 I CA -2.123 59.008 61.300 -0.281 0.000 1.043 212 I CB 3.821 41.496 38.000 -0.542 0.000 1.239 212 I HN 0.484 8.637 8.210 -0.094 0.000 0.420 213 A N 6.719 129.455 122.820 -0.140 0.000 2.515 213 A HA 0.910 5.485 4.320 0.212 -0.127 0.298 213 A C -2.446 175.267 177.584 0.215 0.000 1.059 213 A CA -1.280 50.814 52.037 0.095 0.000 0.698 213 A CB 4.013 23.055 19.000 0.069 0.000 1.289 213 A HN 0.693 8.749 8.150 -0.157 0.000 0.404 214 S N -0.314 115.626 115.700 0.400 0.000 2.550 214 S HA 0.750 5.512 4.470 0.327 -0.096 0.270 214 S C -2.032 172.629 174.600 0.102 0.000 1.145 214 S CA -0.773 57.624 58.200 0.328 0.000 0.852 214 S CB 3.560 66.978 63.200 0.363 0.000 1.119 214 S HN 1.021 9.500 8.310 0.461 0.108 0.465 215 I N -0.904 119.527 120.570 -0.232 0.000 2.865 215 I HA 0.339 4.354 4.170 -0.259 0.000 0.302 215 I C -2.618 173.365 176.117 -0.224 0.000 1.140 215 I CA -1.544 59.493 61.300 -0.438 0.000 1.021 215 I CB 4.054 41.386 38.000 -1.113 0.000 1.233 215 I HN 0.602 8.726 8.210 -0.144 0.000 0.427 216 T N 5.316 119.780 114.554 -0.149 0.000 2.876 216 T HA 0.259 4.504 4.350 -0.175 0.000 0.289 216 T C -1.118 173.528 174.700 -0.090 0.000 1.014 216 T CA -1.732 60.314 62.100 -0.091 0.000 0.986 216 T CB 1.841 70.738 68.868 0.048 0.000 1.021 216 T HN 0.236 8.381 8.240 -0.158 0.000 0.458 217 V N 6.401 126.266 119.914 -0.081 0.000 2.843 217 V HA -0.530 3.577 4.120 -0.022 0.000 0.305 217 V C 0.368 176.462 176.094 0.000 0.000 1.120 217 V CA 2.578 64.858 62.300 -0.033 0.000 1.254 217 V CB 0.483 32.289 31.823 -0.029 0.000 0.901 217 V HN 0.449 8.575 8.190 -0.108 0.000 0.503 218 G N 5.516 114.338 108.800 0.036 0.000 2.258 218 G HA2 -0.246 3.753 3.960 0.064 0.000 0.233 218 G HA3 -0.246 3.734 3.960 0.032 0.000 0.233 218 G C -1.396 173.540 174.900 0.061 0.000 1.006 218 G CA -0.277 44.853 45.100 0.050 0.000 0.620 218 G HN 0.495 8.820 8.290 0.059 0.000 0.511 219 N N -0.740 117.965 118.700 0.009 0.000 2.902 219 N HA 0.208 4.950 4.740 0.004 0.000 0.268 219 N C -2.089 173.251 175.510 -0.284 0.000 1.450 219 N CA -1.027 51.986 53.050 -0.062 0.000 0.819 219 N CB 1.913 40.371 38.487 -0.048 0.000 1.540 219 N HN -0.112 8.188 8.380 -0.020 0.067 0.545 220 K N -2.613 117.552 120.400 -0.393 0.000 2.138 220 K HA 0.039 3.854 4.320 -1.018 -0.107 0.251 220 K C 0.432 176.883 176.600 -0.248 0.000 1.015 220 K CA -0.158 55.797 56.287 -0.555 0.000 0.917 220 K CB 0.859 33.114 32.500 -0.408 0.000 1.021 220 K HN -0.118 7.990 8.250 -0.238 0.000 0.485 221 Y N 0.342 120.508 120.300 -0.223 0.000 2.683 221 Y HA -0.314 4.209 4.550 -0.045 0.000 0.340 221 Y C 0.438 176.319 175.900 -0.032 0.000 1.245 221 Y CA 2.684 60.737 58.100 -0.079 0.000 1.485 221 Y CB 0.652 39.086 38.460 -0.044 0.000 1.328 221 Y HN -0.321 7.908 8.280 -0.085 0.000 0.603 222 R N 3.785 124.446 120.500 0.269 0.000 2.476 222 R HA 0.403 4.821 4.340 0.129 0.000 0.305 222 R C -1.932 174.539 176.300 0.286 0.000 0.965 222 R CA -1.355 54.860 56.100 0.192 0.000 0.867 222 R CB 2.921 33.284 30.300 0.106 0.000 1.176 222 R HN 0.841 9.201 8.270 0.334 0.110 0.447 223 I N 6.804 127.495 120.570 0.202 0.000 2.353 223 I HA -0.004 4.320 4.170 0.258 0.000 0.293 223 I C -0.556 175.717 176.117 0.261 0.000 0.992 223 I CA -0.798 60.630 61.300 0.214 0.000 1.268 223 I CB 1.163 39.222 38.000 0.099 0.000 1.387 223 I HN 0.347 8.638 8.210 0.135 0.000 0.478 224 Y N 8.092 128.401 120.300 0.014 0.000 2.411 224 Y HA -0.119 4.596 4.550 0.028 -0.148 0.333 224 Y C 0.780 176.693 175.900 0.021 0.000 1.186 224 Y CA -0.411 57.698 58.100 0.015 0.000 1.381 224 Y CB 0.551 39.003 38.460 -0.014 0.000 1.273 224 Y HN 0.136 8.698 8.280 0.471 0.000 0.546 225 D N 2.065 122.549 120.400 0.140 0.000 2.313 225 D HA -0.028 4.661 4.640 0.081 0.000 0.247 225 D C 0.743 177.109 176.300 0.110 0.000 1.094 225 D CA -0.812 53.244 54.000 0.092 0.000 0.925 225 D CB 1.582 42.410 40.800 0.046 0.000 1.188 225 D HN -0.100 8.450 8.370 0.076 -0.134 0.430 226 Q N 1.964 121.810 119.800 0.077 0.000 2.142 226 Q HA -0.486 3.897 4.340 0.071 0.000 0.213 226 Q C 1.642 177.692 176.000 0.083 0.000 1.004 226 Q CA 4.024 59.869 55.803 0.070 0.000 0.883 226 Q CB 0.043 28.808 28.738 0.045 0.000 0.939 226 Q HN 0.647 8.953 8.270 0.061 0.000 0.413 227 E N -2.286 117.957 120.200 0.072 0.000 2.047 227 E HA -0.282 4.103 4.350 0.057 0.000 0.191 227 E C 2.023 178.688 176.600 0.108 0.000 0.987 227 E CA 2.521 58.961 56.400 0.067 0.000 0.799 227 E CB -0.622 29.101 29.700 0.039 0.000 0.752 227 E HN 0.025 8.493 8.360 0.059 -0.072 0.449 228 E N 0.078 120.363 120.200 0.142 0.000 2.058 228 E HA -0.328 4.128 4.350 0.177 0.000 0.194 228 E C 2.309 179.198 176.600 0.481 0.000 0.997 228 E CA 2.683 59.231 56.400 0.247 0.000 0.801 228 E CB -0.022 29.786 29.700 0.181 0.000 0.746 228 E HN -0.729 7.914 8.360 0.113 -0.215 0.450 229 V N -0.211 119.945 119.914 0.403 0.000 2.358 229 V HA -0.444 3.981 4.120 0.509 0.000 0.246 229 V C 1.064 177.349 176.094 0.319 0.000 1.047 229 V CA 3.456 65.982 62.300 0.376 0.000 1.035 229 V CB -0.091 31.826 31.823 0.157 0.000 0.658 229 V HN -0.265 8.103 8.190 0.296 0.000 0.452 230 K N -1.071 119.442 120.400 0.189 0.000 2.281 230 K HA -0.323 4.056 4.320 0.099 0.000 0.203 230 K C 1.753 178.403 176.600 0.084 0.000 1.046 230 K CA 2.857 59.211 56.287 0.112 0.000 0.938 230 K CB -0.421 32.121 32.500 0.069 0.000 0.737 230 K HN -0.403 7.884 8.250 0.167 0.062 0.458 231 K N -2.146 118.304 120.400 0.084 0.000 2.103 231 K HA -0.190 4.079 4.320 -0.086 0.000 0.204 231 K C 1.458 177.935 176.600 -0.205 0.000 1.052 231 K CA 2.620 58.847 56.287 -0.100 0.000 0.945 231 K CB 0.335 32.710 32.500 -0.208 0.000 0.722 231 K HN -0.407 7.779 8.250 0.164 0.162 0.443 232 F N -4.263 115.707 119.950 0.033 0.000 2.416 232 F HA -0.128 4.409 4.527 0.016 0.000 0.296 232 F C 0.788 176.590 175.800 0.004 0.000 1.099 232 F CA 1.395 59.406 58.000 0.018 0.000 1.427 232 F CB 0.414 39.424 39.000 0.017 0.000 1.079 232 F HN -0.641 7.795 8.300 0.417 0.114 0.536 233 L N 0.000 121.331 121.223 0.179 0.000 2.949 233 L HA 0.000 4.395 4.340 0.091 0.000 0.249 233 L CA 0.000 54.898 54.840 0.096 0.000 0.813 233 L CB 0.000 42.105 42.059 0.077 0.000 0.961 233 L HN 0.000 8.239 8.230 0.215 0.120 0.502