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_F 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 3.965 3.960 0.007 0.000 0.244 -3 G C 0.000 174.902 174.900 0.003 0.000 0.946 -3 G CA 0.000 45.104 45.100 0.007 0.000 0.502 -2 A N 2.340 125.161 122.820 0.002 0.000 2.445 -2 A HA 0.218 4.538 4.320 -0.000 0.000 0.242 -2 A C 0.484 178.065 177.584 -0.004 0.000 1.075 -2 A CA -0.673 51.363 52.037 -0.001 0.000 0.777 -2 A CB 1.152 20.152 19.000 0.000 0.000 1.013 -2 A HN 0.026 8.178 8.150 0.004 0.000 0.493 -1 M N 2.031 121.628 119.600 -0.006 0.000 2.630 -1 M HA -0.158 4.315 4.480 -0.011 0.000 0.254 -1 M C 1.428 177.721 176.300 -0.012 0.000 1.092 -1 M CA 1.064 56.358 55.300 -0.010 0.000 1.087 -1 M CB 0.151 32.746 32.600 -0.009 0.000 1.453 -1 M HN 0.189 8.477 8.290 -0.005 0.000 0.509 0 G N -0.392 108.402 108.800 -0.009 0.000 3.352 0 G HA2 -0.099 3.854 3.960 -0.011 0.000 0.236 0 G HA3 -0.099 3.856 3.960 -0.008 0.000 0.236 0 G C -0.996 173.896 174.900 -0.014 0.000 1.324 0 G CA -0.532 44.562 45.100 -0.010 0.000 1.404 0 G HN 0.220 8.432 8.290 -0.007 0.074 0.542 1 M N -0.438 119.151 119.600 -0.018 0.000 2.242 1 M HA -0.088 4.379 4.480 -0.022 0.000 0.344 1 M C 0.137 176.419 176.300 -0.030 0.000 1.140 1 M CA 0.227 55.512 55.300 -0.025 0.000 1.160 1 M CB 0.759 33.340 32.600 -0.031 0.000 1.491 1 M HN -0.470 7.661 8.290 -0.018 0.148 0.459 2 Q N 2.110 121.890 119.800 -0.034 0.000 2.293 2 Q HA -0.063 4.259 4.340 -0.030 0.000 0.263 2 Q C -0.323 175.648 176.000 -0.049 0.000 1.002 2 Q CA 0.053 55.834 55.803 -0.036 0.000 0.910 2 Q CB 0.305 29.022 28.738 -0.034 0.000 1.185 2 Q HN 0.165 8.415 8.270 -0.034 0.000 0.401 3 Q N 2.702 122.476 119.800 -0.044 0.000 2.314 3 Q HA 0.054 4.359 4.340 -0.059 0.000 0.258 3 Q C -0.090 175.875 176.000 -0.058 0.000 0.954 3 Q CA 0.182 55.954 55.803 -0.051 0.000 0.890 3 Q CB 0.756 29.469 28.738 -0.041 0.000 1.210 3 Q HN 0.375 8.624 8.270 -0.036 0.000 0.410 4 G N 0.721 109.476 108.800 -0.074 0.000 2.649 4 G HA2 0.109 4.028 3.960 -0.069 0.000 0.290 4 G HA3 0.109 4.014 3.960 -0.092 0.000 0.290 4 G C -1.227 173.615 174.900 -0.097 0.000 1.426 4 G CA -0.345 44.705 45.100 -0.083 0.000 0.794 4 G HN 0.056 8.298 8.290 -0.080 0.000 0.483 5 Q N -0.911 118.825 119.800 -0.106 0.000 2.226 5 Q HA 0.091 4.374 4.340 -0.095 0.000 0.171 5 Q C 0.241 176.152 176.000 -0.149 0.000 1.077 5 Q CA -0.454 55.280 55.803 -0.115 0.000 1.135 5 Q CB 0.901 29.570 28.738 -0.114 0.000 1.413 5 Q HN 0.028 8.236 8.270 -0.103 0.000 0.589 6 M N 0.980 120.491 119.600 -0.150 0.000 2.242 6 M HA -0.003 4.391 4.480 -0.143 0.000 0.344 6 M C 0.121 176.275 176.300 -0.244 0.000 1.140 6 M CA -0.504 54.702 55.300 -0.156 0.000 1.160 6 M CB 0.150 32.687 32.600 -0.105 0.000 1.491 6 M HN -0.035 8.176 8.290 -0.132 0.000 0.459 7 A N 2.269 124.968 122.820 -0.202 0.000 2.256 7 A HA 0.071 4.143 4.320 -0.413 0.000 0.276 7 A C 0.290 177.682 177.584 -0.321 0.000 1.259 7 A CA -0.258 51.621 52.037 -0.263 0.000 0.813 7 A CB 0.591 19.564 19.000 -0.045 0.000 1.200 7 A HN 0.056 8.130 8.150 -0.127 0.000 0.506 8 Y N -0.971 119.332 120.300 0.004 0.000 2.971 8 Y HA -0.089 4.467 4.550 0.009 0.000 0.384 8 Y C -1.043 174.872 175.900 0.025 0.000 1.166 8 Y CA -0.758 57.349 58.100 0.010 0.000 1.973 8 Y CB -1.798 36.663 38.460 0.003 0.000 2.082 8 Y HN 0.235 8.537 8.280 0.037 0.000 0.420 9 D N 0.938 121.396 120.400 0.096 0.000 2.411 9 D HA 0.138 4.842 4.640 0.107 0.000 0.225 9 D C 0.425 176.767 176.300 0.070 0.000 1.156 9 D CA -0.667 53.387 54.000 0.091 0.000 0.874 9 D CB 0.175 41.024 40.800 0.083 0.000 1.034 9 D HN -0.443 7.853 8.370 0.026 0.089 0.502 10 R N 3.903 124.448 120.500 0.075 0.000 2.075 10 R HA -0.141 4.234 4.340 0.057 0.000 0.232 10 R C 0.087 176.410 176.300 0.038 0.000 1.126 10 R CA 1.226 57.360 56.100 0.057 0.000 0.963 10 R CB 0.521 30.854 30.300 0.055 0.000 0.858 10 R HN 0.353 8.676 8.270 0.088 0.000 0.435 11 A N -3.715 119.125 122.820 0.033 0.000 2.608 11 A HA 0.136 4.467 4.320 0.020 0.000 0.292 11 A C -2.510 175.079 177.584 0.008 0.000 1.066 11 A CA -0.753 51.296 52.037 0.019 0.000 0.676 11 A CB 2.315 21.323 19.000 0.013 0.000 1.277 11 A HN -0.439 7.820 8.150 0.039 -0.086 0.413 12 I N 1.199 121.769 120.570 0.000 0.000 2.278 12 I HA 0.069 4.225 4.170 -0.023 0.000 0.296 12 I C -1.561 174.529 176.117 -0.046 0.000 1.121 12 I CA -0.037 61.253 61.300 -0.018 0.000 1.267 12 I CB -0.992 37.007 38.000 -0.001 0.000 1.447 12 I HN 0.167 8.381 8.210 0.006 0.000 0.509 13 T N 7.739 122.243 114.554 -0.083 0.000 5.418 13 T HA -0.053 4.189 4.350 -0.180 0.000 0.323 13 T C -1.985 172.634 174.700 -0.135 0.000 0.959 13 T CA 0.049 62.073 62.100 -0.127 0.000 0.373 13 T CB -0.021 68.798 68.868 -0.083 0.000 0.452 13 T HN -0.222 7.970 8.240 -0.080 0.000 0.192 14 V N 1.448 121.281 119.914 -0.135 0.000 2.448 14 V HA 0.295 4.400 4.120 -0.025 0.000 0.295 14 V C -1.588 174.426 176.094 -0.134 0.000 1.025 14 V CA -1.313 60.945 62.300 -0.070 0.000 0.859 14 V CB 1.589 33.419 31.823 0.012 0.000 0.988 14 V HN -0.218 7.893 8.190 -0.131 0.000 0.431 15 F N 8.184 128.121 119.950 -0.020 0.000 2.384 15 F HA 0.191 4.823 4.527 -0.090 -0.159 0.338 15 F C 0.489 176.275 175.800 -0.023 0.000 1.103 15 F CA -0.534 57.435 58.000 -0.052 0.000 1.157 15 F CB 1.565 40.531 39.000 -0.056 0.000 1.167 15 F HN 0.183 8.582 8.300 0.164 0.000 0.529 16 S N 3.731 119.522 115.700 0.152 0.000 2.614 16 S HA 0.248 4.846 4.470 0.213 0.000 0.265 16 S C -0.478 174.197 174.600 0.124 0.000 1.303 16 S CA -1.208 57.081 58.200 0.149 0.000 1.000 16 S CB -0.217 63.013 63.200 0.050 0.000 0.935 16 S HN 0.514 8.876 8.310 0.087 0.000 0.551 17 P HA -0.058 4.398 4.420 0.059 0.000 0.234 17 P C -1.668 175.656 177.300 0.039 0.000 1.162 17 P CA 1.488 64.631 63.100 0.072 0.000 0.759 17 P CB -0.454 31.291 31.700 0.075 0.000 0.813 18 D N -5.389 115.031 120.400 0.034 0.000 2.440 18 D HA -0.049 4.588 4.640 -0.004 0.000 0.216 18 D C 0.672 176.950 176.300 -0.037 0.000 1.150 18 D CA -0.612 53.387 54.000 -0.002 0.000 0.832 18 D CB -0.409 40.398 40.800 0.013 0.000 0.992 18 D HN -0.741 7.560 8.370 0.049 0.098 0.502 19 G N 1.297 110.081 108.800 -0.026 0.000 2.326 19 G HA2 -0.481 3.404 3.960 -0.125 0.000 0.286 19 G HA3 -0.481 3.388 3.960 -0.151 0.000 0.286 19 G C -1.283 173.671 174.900 0.090 0.000 1.096 19 G CA 0.270 45.337 45.100 -0.056 0.000 1.003 19 G HN 0.274 8.407 8.290 0.011 0.164 0.503 20 R N -1.885 118.677 120.500 0.103 0.000 2.725 20 R HA 0.252 4.592 4.340 0.001 0.000 0.277 20 R C -2.070 174.067 176.300 -0.273 0.000 0.987 20 R CA -2.101 53.924 56.100 -0.125 0.000 0.901 20 R CB 3.909 33.926 30.300 -0.471 0.000 1.207 20 R HN -0.464 7.912 8.270 0.061 -0.069 0.463 21 L N 3.044 124.075 121.223 -0.319 0.000 2.288 21 L HA 0.351 4.426 4.340 -0.443 0.000 0.283 21 L C 0.502 177.160 176.870 -0.353 0.000 1.072 21 L CA -2.554 52.051 54.840 -0.391 0.000 0.862 21 L CB -2.008 39.836 42.059 -0.358 0.000 1.245 21 L HN 0.757 8.856 8.230 -0.219 0.000 0.432 22 F N 5.703 125.480 119.950 -0.288 0.000 2.126 22 F HA -0.509 3.748 4.527 -0.450 0.000 0.299 22 F C 1.576 176.893 175.800 -0.805 0.000 1.096 22 F CA 4.530 62.211 58.000 -0.531 0.000 1.255 22 F CB -0.170 38.523 39.000 -0.512 0.000 0.997 22 F HN -0.127 8.016 8.300 -0.261 0.000 0.479 23 Q N -1.880 117.733 119.800 -0.312 0.000 2.096 23 Q HA -0.352 3.866 4.340 -0.203 0.000 0.204 23 Q C 2.592 178.531 176.000 -0.102 0.000 0.982 23 Q CA 3.309 58.996 55.803 -0.193 0.000 0.850 23 Q CB -1.080 27.620 28.738 -0.064 0.000 0.901 23 Q HN 0.040 8.195 8.270 -0.190 0.000 0.422 24 V N 0.170 120.019 119.914 -0.108 0.000 2.490 24 V HA -0.406 3.714 4.120 -0.000 0.000 0.250 24 V C 1.597 177.684 176.094 -0.012 0.000 1.061 24 V CA 3.163 65.438 62.300 -0.042 0.000 1.064 24 V CB -0.458 31.331 31.823 -0.056 0.000 0.670 24 V HN -0.641 7.450 8.190 -0.155 0.007 0.461 25 E N 0.727 120.891 120.200 -0.059 0.000 2.017 25 E HA -0.340 4.042 4.350 0.054 0.000 0.193 25 E C 2.734 179.451 176.600 0.196 0.000 0.997 25 E CA 3.102 59.529 56.400 0.045 0.000 0.804 25 E CB -0.655 29.080 29.700 0.057 0.000 0.757 25 E HN -0.459 7.706 8.360 -0.151 0.105 0.448 26 Y N -1.338 119.022 120.300 0.101 0.000 2.181 26 Y HA -0.386 4.200 4.550 0.059 0.000 0.284 26 Y C 2.310 178.234 175.900 0.039 0.000 1.179 26 Y CA 0.763 58.901 58.100 0.063 0.000 1.179 26 Y CB -1.601 36.890 38.460 0.052 0.000 0.973 26 Y HN 0.265 8.465 8.280 -0.133 0.000 0.519 27 A N -1.869 121.068 122.820 0.195 0.000 1.877 27 A HA -0.429 3.953 4.320 0.103 0.000 0.216 27 A C 1.790 179.430 177.584 0.092 0.000 1.186 27 A CA 3.000 55.104 52.037 0.113 0.000 0.620 27 A CB -0.819 18.229 19.000 0.079 0.000 0.822 27 A HN 0.162 8.326 8.150 0.171 0.089 0.443 28 R N -1.895 118.661 120.500 0.093 0.000 2.103 28 R HA -0.441 3.934 4.340 0.058 0.000 0.242 28 R C 2.703 179.046 176.300 0.071 0.000 1.142 28 R CA 3.425 59.570 56.100 0.074 0.000 0.960 28 R CB -0.470 29.874 30.300 0.073 0.000 0.858 28 R HN -0.279 7.971 8.270 0.098 0.079 0.439 29 E N -1.524 118.733 120.200 0.095 0.000 2.070 29 E HA -0.330 4.057 4.350 0.062 0.000 0.197 29 E C 2.075 178.700 176.600 0.043 0.000 1.004 29 E CA 2.808 59.251 56.400 0.071 0.000 0.805 29 E CB -0.754 28.992 29.700 0.077 0.000 0.744 29 E HN -0.427 7.929 8.360 0.134 0.085 0.451 30 A N -2.227 120.620 122.820 0.045 0.000 1.986 30 A HA -0.308 4.021 4.320 0.015 0.000 0.220 30 A C 2.184 179.779 177.584 0.018 0.000 1.171 30 A CA 3.045 55.097 52.037 0.026 0.000 0.640 30 A CB -0.737 18.279 19.000 0.028 0.000 0.811 30 A HN -0.416 7.699 8.150 0.065 0.074 0.451 31 V N -4.415 115.513 119.914 0.024 0.000 2.548 31 V HA -0.385 3.739 4.120 0.005 0.000 0.249 31 V C 1.101 177.198 176.094 0.005 0.000 1.055 31 V CA 3.090 65.397 62.300 0.012 0.000 1.065 31 V CB 0.070 31.902 31.823 0.015 0.000 0.681 31 V HN -0.445 7.628 8.190 0.035 0.138 0.462 32 K N 0.100 120.508 120.400 0.013 0.000 2.147 32 K HA -0.248 4.243 4.320 0.005 -0.167 0.205 32 K C 2.066 178.667 176.600 0.003 0.000 1.049 32 K CA 3.062 59.355 56.287 0.009 0.000 0.936 32 K CB -0.222 32.289 32.500 0.019 0.000 0.722 32 K HN -0.491 7.675 8.250 0.022 0.098 0.446 33 K N -4.115 116.286 120.400 0.002 0.000 2.505 33 K HA -0.066 4.252 4.320 -0.003 0.000 0.192 33 K C 0.636 177.231 176.600 -0.007 0.000 1.025 33 K CA 0.033 56.318 56.287 -0.003 0.000 1.086 33 K CB -0.280 32.218 32.500 -0.003 0.000 0.840 33 K HN -0.777 7.454 8.250 0.007 0.024 0.514 34 G N -0.397 108.397 108.800 -0.010 0.000 2.535 34 G HA2 0.161 4.112 3.960 -0.015 0.000 0.303 34 G HA3 0.161 4.110 3.960 -0.018 0.000 0.303 34 G C -1.501 173.387 174.900 -0.020 0.000 1.237 34 G CA -1.858 43.233 45.100 -0.016 0.000 0.986 34 G HN -0.607 7.479 8.290 -0.008 0.199 0.494 35 S N -2.134 113.550 115.700 -0.026 0.000 2.589 35 S HA -0.069 4.386 4.470 -0.025 0.000 0.265 35 S C -0.415 174.163 174.600 -0.037 0.000 1.342 35 S CA -0.163 58.019 58.200 -0.030 0.000 1.005 35 S CB 0.560 63.740 63.200 -0.033 0.000 0.909 35 S HN 0.156 8.450 8.310 -0.027 0.000 0.555 36 T N 2.126 116.656 114.554 -0.039 0.000 2.837 36 T HA 0.596 5.103 4.350 -0.048 -0.185 0.285 36 T C -1.842 172.821 174.700 -0.062 0.000 0.984 36 T CA -0.683 61.389 62.100 -0.047 0.000 1.049 36 T CB 1.081 69.925 68.868 -0.039 0.000 0.947 36 T HN 0.251 8.469 8.240 -0.036 0.000 0.472 37 A N 6.664 129.439 122.820 -0.075 0.000 2.612 37 A HA 0.952 5.314 4.320 -0.088 -0.095 0.293 37 A C -3.015 174.506 177.584 -0.104 0.000 1.075 37 A CA -1.057 50.927 52.037 -0.089 0.000 0.680 37 A CB 3.518 22.464 19.000 -0.091 0.000 1.279 37 A HN 1.022 9.127 8.150 -0.075 0.000 0.411 38 L N -6.035 115.122 121.223 -0.110 0.000 2.654 38 L HA 0.895 5.228 4.340 -0.140 -0.077 0.257 38 L C -1.956 174.851 176.870 -0.105 0.000 1.093 38 L CA -1.391 53.376 54.840 -0.121 0.000 0.903 38 L CB 3.544 45.529 42.059 -0.122 0.000 1.520 38 L HN 1.048 9.106 8.230 -0.105 0.109 0.402 39 G N -4.734 104.004 108.800 -0.104 0.000 2.673 39 G HA2 0.815 4.862 3.960 -0.035 0.000 0.292 39 G HA3 0.815 4.746 3.960 -0.049 0.000 0.292 39 G C -3.318 171.548 174.900 -0.057 0.000 1.450 39 G CA 0.404 45.469 45.100 -0.058 0.000 0.837 39 G HN 0.509 8.719 8.290 -0.134 0.000 0.505 40 M N -3.993 115.613 119.600 0.010 0.000 2.471 40 M HA 0.564 5.117 4.480 -0.057 -0.108 0.284 40 M C -2.145 174.214 176.300 0.099 0.000 1.203 40 M CA -0.094 55.226 55.300 0.033 0.000 0.915 40 M CB 4.362 37.032 32.600 0.117 0.000 1.734 40 M HN 0.153 8.471 8.290 0.046 0.000 0.485 41 K N 0.587 121.028 120.400 0.068 0.000 2.202 41 K HA 0.370 4.711 4.320 -0.157 -0.115 0.264 41 K C -0.129 176.587 176.600 0.193 0.000 1.010 41 K CA 0.760 57.051 56.287 0.006 0.000 0.940 41 K CB 1.255 33.755 32.500 -0.000 0.000 0.983 41 K HN 0.444 8.711 8.250 0.028 0.000 0.475 42 F N -1.939 118.071 119.950 0.101 0.000 3.084 42 F HA 0.600 5.185 4.527 0.098 0.000 0.336 42 F C 0.523 176.352 175.800 0.049 0.000 1.230 42 F CA -2.679 55.368 58.000 0.079 0.000 0.993 42 F CB 0.976 40.010 39.000 0.056 0.000 1.496 42 F HN 0.284 8.292 8.300 -0.487 0.000 0.522 43 A N 1.278 124.497 122.820 0.667 0.000 1.997 43 A HA -0.422 4.033 4.320 0.226 0.000 0.237 43 A C 0.291 178.010 177.584 0.225 0.000 1.807 43 A CA 2.964 55.241 52.037 0.400 0.000 0.863 43 A CB -0.564 18.663 19.000 0.379 0.000 0.821 43 A HN 0.259 8.709 8.150 0.660 0.096 0.500 44 N N -1.421 117.417 118.700 0.230 0.000 2.451 44 N HA 0.067 4.803 4.740 -0.007 0.000 0.271 44 N C -1.310 174.111 175.510 -0.148 0.000 1.410 44 N CA -0.798 52.271 53.050 0.032 0.000 0.884 44 N CB 0.915 39.451 38.487 0.082 0.000 1.332 44 N HN 0.076 8.773 8.380 0.529 0.000 0.498 45 G N -1.531 106.908 108.800 -0.603 0.000 2.677 45 G HA2 0.691 4.403 3.960 -0.413 0.000 0.283 45 G HA3 0.691 4.437 3.960 -0.649 -0.176 0.283 45 G C -3.636 170.545 174.900 -1.198 0.000 1.221 45 G CA 0.470 45.108 45.100 -0.770 0.000 0.851 45 G HN -0.803 6.991 8.290 -0.828 0.000 0.504 46 V N -1.132 118.252 119.914 -0.884 0.000 3.048 46 V HA 0.734 4.632 4.120 -0.590 -0.132 0.303 46 V C -2.778 173.291 176.094 -0.042 0.000 1.214 46 V CA -1.872 60.145 62.300 -0.471 0.000 0.984 46 V CB 4.354 36.066 31.823 -0.186 0.000 1.054 46 V HN 0.217 8.038 8.190 -0.615 0.000 0.430 47 L N 2.683 124.009 121.223 0.172 0.000 2.333 47 L HA 0.997 5.592 4.340 0.252 -0.104 0.263 47 L C -2.917 174.014 176.870 0.102 0.000 1.014 47 L CA -1.962 53.010 54.840 0.220 0.000 0.820 47 L CB 3.873 46.074 42.059 0.237 0.000 1.352 47 L HN 0.039 8.358 8.230 0.149 0.000 0.421 48 L N -0.446 120.808 121.223 0.051 0.000 2.370 48 L HA 0.865 5.326 4.340 -0.025 -0.136 0.266 48 L C -2.043 174.770 176.870 -0.095 0.000 1.002 48 L CA -1.186 53.642 54.840 -0.020 0.000 0.818 48 L CB 5.054 47.103 42.059 -0.017 0.000 1.325 48 L HN 0.814 9.082 8.230 0.064 0.000 0.418 49 I N 2.738 123.243 120.570 -0.108 0.000 2.685 49 I HA 0.881 5.200 4.170 -0.144 -0.236 0.289 49 I C -3.077 172.974 176.117 -0.110 0.000 1.292 49 I CA -1.084 60.136 61.300 -0.133 0.000 1.050 49 I CB 4.282 42.182 38.000 -0.166 0.000 1.301 49 I HN 1.031 9.184 8.210 -0.094 0.000 0.425 50 S N 7.437 123.077 115.700 -0.100 0.000 2.548 50 S HA 0.475 4.997 4.470 -0.084 -0.103 0.286 50 S C -2.083 172.475 174.600 -0.070 0.000 1.098 50 S CA -1.801 56.350 58.200 -0.083 0.000 0.930 50 S CB 2.629 65.782 63.200 -0.078 0.000 1.070 50 S HN 1.027 9.275 8.310 -0.103 0.000 0.480 51 D N 5.587 125.952 120.400 -0.059 0.000 2.352 51 D HA 0.122 4.735 4.640 -0.045 0.000 0.245 51 D C -1.516 174.762 176.300 -0.037 0.000 1.224 51 D CA -0.415 53.558 54.000 -0.045 0.000 0.879 51 D CB 0.818 41.595 40.800 -0.039 0.000 1.057 51 D HN 0.294 8.628 8.370 -0.060 0.000 0.491 52 K N 7.481 127.862 120.400 -0.032 0.000 2.183 52 K HA -0.014 4.289 4.320 -0.028 0.000 0.272 52 K C -1.333 175.257 176.600 -0.018 0.000 1.113 52 K CA -0.470 55.801 56.287 -0.025 0.000 0.949 52 K CB -0.307 32.179 32.500 -0.022 0.000 1.365 52 K HN -0.280 7.950 8.250 -0.033 0.000 0.420 53 K N 6.021 126.411 120.400 -0.018 0.000 2.267 53 K HA 0.045 4.358 4.320 -0.010 0.000 0.282 53 K C -0.587 176.007 176.600 -0.010 0.000 1.078 53 K CA -0.299 55.981 56.287 -0.013 0.000 0.903 53 K CB 0.440 32.932 32.500 -0.013 0.000 1.111 53 K HN -0.294 7.943 8.250 -0.021 0.000 0.475 54 V N 3.353 123.262 119.914 -0.007 0.000 2.612 54 V HA 0.075 4.191 4.120 -0.007 0.000 0.301 54 V C -1.184 174.907 176.094 -0.004 0.000 1.046 54 V CA -0.915 61.382 62.300 -0.006 0.000 0.946 54 V CB 1.221 33.042 31.823 -0.004 0.000 1.003 54 V HN 0.199 8.385 8.190 -0.006 0.000 0.459 55 R N 4.946 125.443 120.500 -0.004 0.000 1.776 55 R HA 0.112 4.450 4.340 -0.003 0.000 0.146 55 R C -0.232 176.067 176.300 -0.002 0.000 2.057 55 R CA 0.200 56.298 56.100 -0.004 0.000 1.641 55 R CB 0.167 30.464 30.300 -0.004 0.000 1.256 55 R HN 0.169 8.437 8.270 -0.005 0.000 0.478 56 S N -1.146 114.553 115.700 -0.003 0.000 2.589 56 S HA 0.145 4.614 4.470 -0.002 0.000 0.265 56 S C 1.765 176.365 174.600 -0.001 0.000 1.342 56 S CA -0.412 57.787 58.200 -0.002 0.000 1.005 56 S CB 0.658 63.856 63.200 -0.002 0.000 0.909 56 S HN -0.066 8.242 8.310 -0.003 0.000 0.555 57 R N 1.771 122.270 120.500 -0.001 0.000 2.153 57 R HA -0.099 4.242 4.340 0.001 0.000 0.218 57 R C 0.744 177.044 176.300 -0.000 0.000 1.072 57 R CA 1.380 57.480 56.100 0.000 0.000 0.990 57 R CB -0.280 30.020 30.300 0.000 0.000 0.889 57 R HN 0.506 8.775 8.270 -0.001 0.000 0.452 58 L N -2.811 118.412 121.223 -0.001 0.000 2.549 58 L HA -0.094 4.246 4.340 -0.000 0.000 0.229 58 L C 0.411 177.281 176.870 -0.001 0.000 1.158 58 L CA 0.414 55.254 54.840 -0.001 0.000 0.842 58 L CB -0.568 41.490 42.059 -0.001 0.000 0.952 58 L HN -0.388 7.803 8.230 -0.001 0.038 0.452 59 I N -1.316 119.254 120.570 -0.001 0.000 2.638 59 I HA -0.073 4.096 4.170 -0.002 0.000 0.286 59 I C 1.225 177.341 176.117 -0.001 0.000 1.088 59 I CA -0.773 60.526 61.300 -0.002 0.000 1.397 59 I CB 0.091 38.090 38.000 -0.003 0.000 1.414 59 I HN -0.959 7.184 8.210 -0.001 0.066 0.566 60 E N 7.790 127.989 120.200 -0.001 0.000 2.452 60 E HA 0.063 4.414 4.350 0.000 0.000 0.293 60 E C -0.221 176.379 176.600 -0.001 0.000 1.535 60 E CA -0.968 55.432 56.400 -0.000 0.000 1.816 60 E CB -2.002 27.697 29.700 -0.000 0.000 1.494 60 E HN 0.455 8.814 8.360 -0.002 0.000 0.464 61 Q N -0.283 119.517 119.800 -0.000 0.000 2.478 61 Q HA -0.638 3.702 4.340 -0.001 0.000 0.462 61 Q C 0.786 176.785 176.000 -0.001 0.000 0.601 61 Q CA 2.642 58.446 55.803 0.000 0.000 0.953 61 Q CB -2.130 26.609 28.738 0.003 0.000 2.612 61 Q HN -0.157 8.017 8.270 -0.000 0.096 1.022 62 N N 1.960 120.660 118.700 0.001 0.000 2.165 62 N HA -0.432 4.308 4.740 -0.001 0.000 0.198 62 N C 1.544 177.052 175.510 -0.004 0.000 0.999 62 N CA 2.355 55.404 53.050 -0.000 0.000 0.893 62 N CB -0.965 37.524 38.487 0.003 0.000 1.025 62 N HN 0.289 8.671 8.380 0.003 0.000 0.456 63 S N 0.538 116.236 115.700 -0.003 0.000 2.441 63 S HA -0.320 4.148 4.470 -0.004 0.000 0.242 63 S C 1.250 175.846 174.600 -0.008 0.000 1.018 63 S CA 2.914 61.111 58.200 -0.004 0.000 0.988 63 S CB 0.020 63.218 63.200 -0.003 0.000 0.778 63 S HN -0.234 8.042 8.310 -0.001 0.033 0.498 64 I N 1.390 121.955 120.570 -0.009 0.000 2.664 64 I HA -0.040 4.122 4.170 -0.013 0.000 0.291 64 I C -2.215 173.891 176.117 -0.018 0.000 1.120 64 I CA -1.573 59.719 61.300 -0.013 0.000 1.503 64 I CB -0.499 37.494 38.000 -0.012 0.000 1.506 64 I HN -0.161 7.894 8.210 -0.007 0.151 0.621 65 E N 4.351 124.539 120.200 -0.020 0.000 2.299 65 E HA -0.100 4.507 4.350 -0.029 -0.274 0.272 65 E C -0.651 175.926 176.600 -0.038 0.000 1.043 65 E CA 0.066 56.449 56.400 -0.028 0.000 0.895 65 E CB 0.004 29.687 29.700 -0.028 0.000 1.011 65 E HN -0.549 7.723 8.360 -0.017 0.078 0.432 66 K N 3.682 124.054 120.400 -0.047 0.000 2.308 66 K HA 0.048 4.338 4.320 -0.051 0.000 0.197 66 K C 0.082 176.637 176.600 -0.076 0.000 1.049 66 K CA 0.801 57.054 56.287 -0.057 0.000 0.991 66 K CB 1.341 33.807 32.500 -0.056 0.000 0.836 66 K HN 0.131 8.891 8.250 -0.045 -0.538 0.500 67 I N -0.017 120.503 120.570 -0.082 0.000 2.337 67 I HA -0.113 3.984 4.170 -0.122 0.000 0.291 67 I C -0.639 175.412 176.117 -0.109 0.000 1.046 67 I CA 0.241 61.475 61.300 -0.110 0.000 1.324 67 I CB 0.022 37.950 38.000 -0.119 0.000 1.409 67 I HN -0.607 7.877 8.210 -0.071 -0.316 0.494 68 Q N 7.327 127.057 119.800 -0.116 0.000 2.377 68 Q HA 0.390 4.679 4.340 -0.085 0.000 0.271 68 Q C -1.464 174.469 176.000 -0.112 0.000 1.077 68 Q CA -1.996 53.751 55.803 -0.093 0.000 0.820 68 Q CB 4.316 33.020 28.738 -0.056 0.000 1.347 68 Q HN 0.515 8.710 8.270 -0.126 0.000 0.444 69 L N 2.302 123.469 121.223 -0.093 0.000 2.326 69 L HA 0.054 4.307 4.340 -0.144 0.000 0.278 69 L C 0.340 177.209 176.870 -0.002 0.000 1.092 69 L CA 0.249 55.040 54.840 -0.083 0.000 0.810 69 L CB 0.647 42.664 42.059 -0.071 0.000 1.153 69 L HN 0.584 8.771 8.230 -0.072 0.000 0.439 70 I N 0.844 121.440 120.570 0.043 0.000 3.265 70 I HA -0.026 4.185 4.170 0.069 0.000 0.282 70 I C -0.648 175.518 176.117 0.082 0.000 1.207 70 I CA 1.441 62.790 61.300 0.081 0.000 1.449 70 I CB 1.112 39.194 38.000 0.136 0.000 1.121 70 I HN 0.793 8.926 8.210 0.044 0.104 0.442 71 D N -2.298 118.166 120.400 0.107 0.000 2.720 71 D HA -0.003 4.702 4.640 0.109 0.000 0.239 71 D C -1.525 174.887 176.300 0.188 0.000 1.218 71 D CA -0.191 53.893 54.000 0.140 0.000 0.748 71 D CB 1.997 42.892 40.800 0.157 0.000 1.387 71 D HN -0.521 7.913 8.370 0.108 0.000 0.438 72 D N 1.381 121.894 120.400 0.188 0.000 2.322 72 D HA -0.318 4.361 4.640 0.065 0.000 0.210 72 D C 0.916 177.215 176.300 -0.001 0.000 0.983 72 D CA 3.039 57.091 54.000 0.086 0.000 0.902 72 D CB -0.053 40.750 40.800 0.005 0.000 0.905 72 D HN 0.489 8.970 8.370 0.185 0.000 0.483 73 Y N -5.788 114.627 120.300 0.193 0.000 2.500 73 Y HA 0.063 4.696 4.550 0.138 0.000 0.246 73 Y C -1.429 174.630 175.900 0.265 0.000 1.146 73 Y CA -0.578 57.626 58.100 0.174 0.000 1.230 73 Y CB 0.816 39.320 38.460 0.074 0.000 1.214 73 Y HN -0.482 8.389 8.280 0.482 -0.302 0.526 74 V N -0.331 119.853 119.914 0.451 0.000 2.777 74 V HA 0.479 5.051 4.120 0.536 -0.130 0.306 74 V C -2.736 173.507 176.094 0.249 0.000 1.112 74 V CA -2.363 60.180 62.300 0.405 0.000 0.917 74 V CB 3.402 35.384 31.823 0.265 0.000 1.018 74 V HN 0.042 8.344 8.190 0.386 0.120 0.426 75 A N 7.361 130.286 122.820 0.175 0.000 2.437 75 A HA 0.944 5.303 4.320 -0.067 -0.078 0.292 75 A C -2.875 174.727 177.584 0.030 0.000 1.173 75 A CA -2.389 49.590 52.037 -0.097 0.000 0.785 75 A CB 4.107 22.743 19.000 -0.606 0.000 1.351 75 A HN 1.089 9.454 8.150 0.359 0.000 0.431 76 A N -2.511 120.264 122.820 -0.076 0.000 2.606 76 A HA 1.152 5.553 4.320 -0.189 -0.194 0.293 76 A C -2.899 174.561 177.584 -0.207 0.000 1.082 76 A CA -1.074 50.848 52.037 -0.192 0.000 0.685 76 A CB 3.960 22.744 19.000 -0.358 0.000 1.284 76 A HN 0.632 8.715 8.150 -0.113 0.000 0.408 77 V N -0.409 119.358 119.914 -0.246 0.000 3.040 77 V HA 0.850 5.022 4.120 -0.155 -0.145 0.312 77 V C -2.072 173.900 176.094 -0.203 0.000 1.115 77 V CA -3.201 58.990 62.300 -0.183 0.000 0.998 77 V CB 3.464 35.201 31.823 -0.143 0.000 1.042 77 V HN 0.358 8.365 8.190 -0.304 0.000 0.433 78 T N 5.588 120.055 114.554 -0.145 0.000 2.865 78 T HA 0.616 4.992 4.350 -0.154 -0.118 0.294 78 T C -1.444 173.204 174.700 -0.085 0.000 1.119 78 T CA -2.269 59.755 62.100 -0.127 0.000 1.007 78 T CB 1.220 70.021 68.868 -0.111 0.000 1.225 78 T HN -0.066 8.103 8.240 -0.119 0.000 0.515 79 S N 2.091 117.750 115.700 -0.068 0.000 2.566 79 S HA 0.319 4.763 4.470 -0.043 0.000 0.273 79 S C -1.484 173.100 174.600 -0.027 0.000 1.157 79 S CA 0.097 58.269 58.200 -0.046 0.000 0.938 79 S CB 2.287 65.457 63.200 -0.049 0.000 1.087 79 S HN 0.764 9.031 8.310 -0.072 0.000 0.474 80 G N 4.307 113.097 108.800 -0.017 0.000 2.250 80 G HA2 -0.107 4.037 3.960 -0.003 0.000 0.196 80 G HA3 -0.107 3.963 3.960 0.001 -0.109 0.196 80 G C -2.083 172.814 174.900 -0.004 0.000 1.308 80 G CA -0.353 44.744 45.100 -0.005 0.000 1.207 80 G HN 0.015 8.293 8.290 -0.020 0.000 0.505 81 L N 3.600 124.824 121.223 0.003 0.000 2.597 81 L HA 0.185 4.522 4.340 -0.004 0.000 0.271 81 L C 0.972 177.843 176.870 0.001 0.000 1.157 81 L CA -0.372 54.468 54.840 -0.000 0.000 0.928 81 L CB -1.615 40.443 42.059 -0.002 0.000 1.216 81 L HN 0.151 8.386 8.230 0.010 0.000 0.481 82 V N 8.819 128.730 119.914 -0.004 0.000 2.250 82 V HA -0.515 3.601 4.120 -0.007 0.000 0.250 82 V C 0.919 177.015 176.094 0.005 0.000 1.060 82 V CA 4.470 66.768 62.300 -0.003 0.000 1.030 82 V CB 0.198 32.017 31.823 -0.007 0.000 0.643 82 V HN 0.474 8.661 8.190 -0.006 0.000 0.445 83 A N -2.590 120.232 122.820 0.004 0.000 1.873 83 A HA -0.362 3.965 4.320 0.013 0.000 0.218 83 A C 1.588 179.189 177.584 0.027 0.000 1.193 83 A CA 3.475 55.519 52.037 0.010 0.000 0.629 83 A CB -1.128 17.871 19.000 -0.001 0.000 0.826 83 A HN 0.215 8.365 8.150 -0.001 0.000 0.447 84 D N -0.360 120.057 120.400 0.027 0.000 2.133 84 D HA -0.362 4.333 4.640 0.090 0.000 0.195 84 D C 2.026 178.392 176.300 0.110 0.000 0.997 84 D CA 3.163 57.211 54.000 0.081 0.000 0.840 84 D CB -0.619 40.218 40.800 0.062 0.000 0.947 84 D HN -0.243 8.132 8.370 0.008 0.000 0.452 85 A N 0.474 123.325 122.820 0.052 0.000 1.858 85 A HA -0.364 3.966 4.320 0.017 0.000 0.216 85 A C 1.581 179.181 177.584 0.028 0.000 1.190 85 A CA 3.175 55.225 52.037 0.023 0.000 0.617 85 A CB -0.422 18.574 19.000 -0.006 0.000 0.827 85 A HN 0.188 8.289 8.150 0.034 0.070 0.443 86 R N -0.844 119.674 120.500 0.030 0.000 2.097 86 R HA -0.327 4.028 4.340 0.025 0.000 0.236 86 R C 1.990 178.326 176.300 0.060 0.000 1.135 86 R CA 3.232 59.352 56.100 0.034 0.000 0.934 86 R CB 0.048 30.365 30.300 0.027 0.000 0.846 86 R HN -0.277 8.007 8.270 0.024 0.000 0.431 87 V N -0.041 119.920 119.914 0.079 0.000 2.282 87 V HA -0.374 3.807 4.120 0.102 0.000 0.249 87 V C 1.352 177.519 176.094 0.121 0.000 1.057 87 V CA 3.427 65.794 62.300 0.111 0.000 1.032 87 V CB -0.491 31.416 31.823 0.140 0.000 0.645 87 V HN -0.278 7.955 8.190 0.072 0.000 0.447 88 L N -0.938 120.334 121.223 0.082 0.000 2.083 88 L HA -0.304 3.984 4.340 -0.086 0.000 0.209 88 L C 2.367 179.298 176.870 0.102 0.000 1.083 88 L CA 3.134 57.974 54.840 0.000 0.000 0.752 88 L CB -0.436 41.572 42.059 -0.085 0.000 0.899 88 L HN -0.530 7.758 8.230 0.095 -0.001 0.433 89 V N -0.177 119.791 119.914 0.091 0.000 2.307 89 V HA -0.541 3.666 4.120 0.145 0.000 0.245 89 V C 2.308 178.479 176.094 0.129 0.000 1.045 89 V CA 4.718 67.083 62.300 0.108 0.000 1.024 89 V CB -1.077 30.776 31.823 0.050 0.000 0.651 89 V HN 0.283 8.408 8.190 0.063 0.104 0.449 90 D N 0.167 120.634 120.400 0.111 0.000 2.117 90 D HA -0.314 4.364 4.640 0.064 0.000 0.197 90 D C 2.111 178.473 176.300 0.104 0.000 0.987 90 D CA 3.648 57.703 54.000 0.091 0.000 0.829 90 D CB -0.311 40.535 40.800 0.076 0.000 0.961 90 D HN -0.125 8.305 8.370 0.100 0.000 0.460 91 F N 0.856 120.817 119.950 0.017 0.000 2.065 91 F HA -0.512 4.021 4.527 0.010 0.000 0.298 91 F C 0.719 176.521 175.800 0.003 0.000 1.112 91 F CA 3.765 61.769 58.000 0.006 0.000 1.212 91 F CB -0.116 38.874 39.000 -0.016 0.000 0.975 91 F HN -0.338 8.132 8.300 0.282 0.000 0.476 92 A N -1.079 121.917 122.820 0.293 0.000 1.917 92 A HA -0.491 3.920 4.320 0.152 0.000 0.219 92 A C 1.987 179.573 177.584 0.003 0.000 1.182 92 A CA 3.265 55.401 52.037 0.165 0.000 0.633 92 A CB -0.807 18.361 19.000 0.280 0.000 0.819 92 A HN -0.324 8.068 8.150 0.404 0.000 0.448 93 R N -1.523 118.991 120.500 0.024 0.000 2.082 93 R HA -0.330 4.022 4.340 0.019 0.000 0.234 93 R C 2.624 178.884 176.300 -0.066 0.000 1.136 93 R CA 3.629 59.727 56.100 -0.002 0.000 0.935 93 R CB 0.144 30.454 30.300 0.016 0.000 0.842 93 R HN -0.383 7.851 8.270 0.075 0.081 0.430 94 I N -2.741 117.757 120.570 -0.119 0.000 2.226 94 I HA -0.435 3.675 4.170 -0.099 0.000 0.245 94 I C 1.329 177.314 176.117 -0.220 0.000 1.100 94 I CA 3.862 65.069 61.300 -0.156 0.000 1.374 94 I CB -0.345 37.552 38.000 -0.171 0.000 1.057 94 I HN 0.225 8.372 8.210 -0.106 0.000 0.413 95 S N 0.833 116.315 115.700 -0.364 0.000 2.374 95 S HA -0.507 3.740 4.470 -0.372 0.000 0.227 95 S C 2.079 176.576 174.600 -0.172 0.000 1.037 95 S CA 3.656 61.639 58.200 -0.362 0.000 1.024 95 S CB -0.220 62.690 63.200 -0.484 0.000 0.861 95 S HN 0.414 8.341 8.310 -0.447 0.114 0.456 96 A N 0.877 123.626 122.820 -0.119 0.000 1.902 96 A HA -0.388 3.897 4.320 -0.060 0.000 0.217 96 A C 2.107 179.664 177.584 -0.044 0.000 1.181 96 A CA 3.089 55.090 52.037 -0.061 0.000 0.623 96 A CB -0.683 18.302 19.000 -0.025 0.000 0.818 96 A HN 0.110 8.100 8.150 -0.124 0.086 0.443 97 Q N -1.755 118.014 119.800 -0.052 0.000 2.061 97 Q HA -0.390 3.937 4.340 -0.021 0.000 0.204 97 Q C 2.754 178.725 176.000 -0.048 0.000 0.984 97 Q CA 2.644 58.423 55.803 -0.040 0.000 0.846 97 Q CB -0.795 27.918 28.738 -0.042 0.000 0.902 97 Q HN -0.346 7.820 8.270 -0.064 0.066 0.421 98 Q N -0.463 119.293 119.800 -0.073 0.000 2.045 98 Q HA -0.453 3.842 4.340 -0.075 0.000 0.206 98 Q C 2.129 178.098 176.000 -0.050 0.000 0.991 98 Q CA 3.459 59.217 55.803 -0.075 0.000 0.851 98 Q CB -0.333 28.346 28.738 -0.098 0.000 0.911 98 Q HN 0.142 8.354 8.270 -0.096 0.000 0.418 99 E N -0.474 119.717 120.200 -0.016 0.000 2.070 99 E HA -0.411 4.008 4.350 0.116 0.000 0.197 99 E C 2.156 178.795 176.600 0.065 0.000 1.004 99 E CA 3.165 59.607 56.400 0.070 0.000 0.805 99 E CB -0.288 29.459 29.700 0.078 0.000 0.744 99 E HN -0.536 7.803 8.360 -0.035 0.000 0.451 100 K N -0.949 119.464 120.400 0.021 0.000 2.044 100 K HA -0.350 3.988 4.320 0.030 0.000 0.210 100 K C 2.857 179.455 176.600 -0.003 0.000 1.049 100 K CA 3.206 59.502 56.287 0.014 0.000 0.927 100 K CB -0.079 32.421 32.500 -0.000 0.000 0.713 100 K HN -0.407 7.845 8.250 0.004 0.000 0.443 101 V N -1.107 118.789 119.914 -0.029 0.000 2.626 101 V HA -0.321 3.779 4.120 -0.035 0.000 0.252 101 V C 1.430 177.474 176.094 -0.083 0.000 1.067 101 V CA 3.122 65.394 62.300 -0.048 0.000 1.081 101 V CB 0.178 31.970 31.823 -0.052 0.000 0.686 101 V HN 0.242 8.413 8.190 -0.031 0.000 0.468 102 T N -0.060 114.411 114.554 -0.137 0.000 2.901 102 T HA -0.170 4.052 4.350 -0.214 0.000 0.252 102 T C 1.385 175.897 174.700 -0.314 0.000 1.035 102 T CA 2.844 64.777 62.100 -0.278 0.000 1.142 102 T CB 0.974 69.576 68.868 -0.444 0.000 0.869 102 T HN -0.350 7.799 8.240 -0.112 0.024 0.442 103 Y N -1.038 119.242 120.300 -0.033 0.000 2.490 103 Y HA 0.029 4.562 4.550 -0.028 0.000 0.285 103 Y C 0.729 176.610 175.900 -0.032 0.000 1.117 103 Y CA 0.942 59.023 58.100 -0.032 0.000 1.262 103 Y CB 0.707 39.146 38.460 -0.035 0.000 1.043 103 Y HN -0.048 8.201 8.280 -0.050 0.000 0.553 104 G N -2.768 106.083 108.800 0.086 0.000 2.194 104 G HA2 -0.386 3.641 3.960 0.014 0.000 0.236 104 G HA3 -0.386 3.597 3.960 0.038 0.000 0.236 104 G C -0.742 174.175 174.900 0.029 0.000 0.987 104 G CA -0.096 45.028 45.100 0.040 0.000 0.635 104 G HN -0.115 8.087 8.290 0.054 0.121 0.520 105 S N -1.448 114.282 115.700 0.049 0.000 2.558 105 S HA 0.055 4.512 4.470 -0.021 0.000 0.277 105 S C -1.752 172.848 174.600 -0.000 0.000 1.143 105 S CA -0.357 57.843 58.200 -0.001 0.000 0.865 105 S CB 1.432 64.615 63.200 -0.028 0.000 1.102 105 S HN -0.437 7.872 8.310 0.109 0.067 0.454 106 L N 7.016 128.218 121.223 -0.034 0.000 2.356 106 L HA 0.308 4.635 4.340 -0.022 0.000 0.282 106 L C -1.249 175.583 176.870 -0.064 0.000 1.132 106 L CA -1.064 53.752 54.840 -0.038 0.000 0.923 106 L CB -1.311 40.729 42.059 -0.032 0.000 1.278 106 L HN 0.418 8.615 8.230 -0.055 0.000 0.436 107 V N 5.553 125.422 119.914 -0.075 0.000 2.283 107 V HA -0.193 3.882 4.120 -0.076 0.000 0.243 107 V C -1.236 174.816 176.094 -0.070 0.000 1.039 107 V CA 1.848 64.099 62.300 -0.083 0.000 1.016 107 V CB 0.717 32.475 31.823 -0.109 0.000 0.650 107 V HN -0.428 7.716 8.190 -0.078 0.000 0.449 108 N N -3.684 114.968 118.700 -0.081 0.000 2.531 108 N HA 0.243 5.226 4.740 -0.036 -0.265 0.268 108 N C 0.857 176.316 175.510 -0.085 0.000 1.023 108 N CA -1.980 51.031 53.050 -0.065 0.000 0.896 108 N CB 0.537 38.983 38.487 -0.070 0.000 1.233 108 N HN -0.580 7.740 8.380 -0.100 0.000 0.512 109 I N 6.955 127.490 120.570 -0.058 0.000 2.423 109 I HA -0.499 3.607 4.170 -0.108 0.000 0.254 109 I C 0.165 176.111 176.117 -0.285 0.000 1.151 109 I CA 2.908 64.146 61.300 -0.102 0.000 1.421 109 I CB 0.266 38.274 38.000 0.013 0.000 1.079 109 I HN 0.307 8.808 8.210 -0.013 -0.298 0.431 110 E N 0.252 120.260 120.200 -0.321 0.000 2.118 110 E HA -0.487 3.052 4.350 -1.352 0.000 0.195 110 E C 1.886 178.222 176.600 -0.440 0.000 0.992 110 E CA 3.581 59.599 56.400 -0.637 0.000 0.804 110 E CB -0.472 29.054 29.700 -0.290 0.000 0.741 110 E HN 0.365 8.916 8.360 -0.141 -0.275 0.458 111 N N -0.406 118.137 118.700 -0.261 0.000 2.142 111 N HA -0.253 4.381 4.740 -0.176 0.000 0.186 111 N C 2.103 177.484 175.510 -0.215 0.000 1.023 111 N CA 3.091 56.024 53.050 -0.195 0.000 0.852 111 N CB 0.126 38.534 38.487 -0.132 0.000 0.998 111 N HN -0.448 7.685 8.380 -0.209 0.121 0.424 112 L N 0.773 121.848 121.223 -0.246 0.000 1.990 112 L HA -0.301 3.934 4.340 -0.174 0.000 0.213 112 L C 1.259 177.895 176.870 -0.390 0.000 1.072 112 L CA 3.050 57.732 54.840 -0.264 0.000 0.755 112 L CB -0.482 41.416 42.059 -0.269 0.000 0.889 112 L HN -0.653 7.350 8.230 -0.238 0.084 0.432 113 V N -1.447 118.101 119.914 -0.611 0.000 2.407 113 V HA -0.521 2.993 4.120 -1.010 0.000 0.248 113 V C 1.649 177.533 176.094 -0.352 0.000 1.055 113 V CA 3.812 65.671 62.300 -0.737 0.000 1.049 113 V CB -0.716 30.629 31.823 -0.797 0.000 0.662 113 V HN -0.503 7.325 8.190 -0.604 0.000 0.455 114 K N -0.156 120.071 120.400 -0.288 0.000 2.063 114 K HA -0.407 3.840 4.320 -0.122 0.000 0.208 114 K C 2.419 178.967 176.600 -0.087 0.000 1.048 114 K CA 4.208 60.404 56.287 -0.153 0.000 0.928 114 K CB -0.409 32.013 32.500 -0.130 0.000 0.713 114 K HN 0.003 7.970 8.250 -0.356 0.069 0.442 115 R N -0.898 119.560 120.500 -0.070 0.000 2.073 115 R HA -0.290 4.074 4.340 0.041 0.000 0.234 115 R C 2.301 178.644 176.300 0.072 0.000 1.134 115 R CA 3.331 59.455 56.100 0.040 0.000 0.952 115 R CB -0.057 30.296 30.300 0.088 0.000 0.850 115 R HN -0.186 7.940 8.270 -0.117 0.074 0.433 116 V N -0.824 119.116 119.914 0.044 0.000 2.407 116 V HA -0.450 3.579 4.120 -0.151 0.000 0.248 116 V C 0.883 176.885 176.094 -0.153 0.000 1.055 116 V CA 3.636 65.911 62.300 -0.041 0.000 1.049 116 V CB -0.007 31.849 31.823 0.056 0.000 0.662 116 V HN -0.469 7.702 8.190 -0.031 0.000 0.455 117 A N -0.252 122.522 122.820 -0.078 0.000 1.877 117 A HA -0.294 3.997 4.320 -0.048 0.000 0.216 117 A C 1.782 179.335 177.584 -0.053 0.000 1.186 117 A CA 3.119 55.126 52.037 -0.050 0.000 0.620 117 A CB -0.745 18.249 19.000 -0.010 0.000 0.822 117 A HN 0.191 8.209 8.150 -0.077 0.085 0.443 118 D N -1.548 118.830 120.400 -0.036 0.000 2.182 118 D HA -0.365 4.289 4.640 0.023 0.000 0.201 118 D C 2.486 178.783 176.300 -0.006 0.000 0.986 118 D CA 3.521 57.521 54.000 0.001 0.000 0.847 118 D CB -0.939 39.873 40.800 0.020 0.000 0.942 118 D HN 0.021 8.370 8.370 -0.035 0.000 0.467 119 Q N -0.477 119.253 119.800 -0.118 0.000 2.014 119 Q HA -0.338 3.965 4.340 -0.061 0.000 0.207 119 Q C 2.417 178.395 176.000 -0.036 0.000 0.993 119 Q CA 2.983 58.673 55.803 -0.188 0.000 0.850 119 Q CB -0.168 28.163 28.738 -0.679 0.000 0.916 119 Q HN -0.546 7.626 8.270 -0.154 0.006 0.417 120 M N -1.332 118.148 119.600 -0.200 0.000 2.080 120 M HA -0.390 4.007 4.480 -0.138 0.000 0.260 120 M C 2.669 179.061 176.300 0.154 0.000 1.068 120 M CA 3.704 58.950 55.300 -0.089 0.000 1.109 120 M CB -0.212 32.301 32.600 -0.145 0.000 1.342 120 M HN -0.677 7.442 8.290 -0.285 0.000 0.405 121 Q N -0.397 119.460 119.800 0.096 0.000 2.173 121 Q HA -0.374 4.025 4.340 0.098 0.000 0.208 121 Q C 2.872 178.981 176.000 0.182 0.000 0.989 121 Q CA 3.046 58.918 55.803 0.115 0.000 0.872 121 Q CB -0.562 28.222 28.738 0.076 0.000 0.909 121 Q HN 0.160 8.394 8.270 0.033 0.056 0.420 122 Q N -0.759 119.192 119.800 0.251 0.000 2.077 122 Q HA -0.338 4.207 4.340 0.341 0.000 0.206 122 Q C 2.152 178.322 176.000 0.283 0.000 0.989 122 Q CA 3.278 59.261 55.803 0.300 0.000 0.853 122 Q CB -0.053 28.805 28.738 0.201 0.000 0.907 122 Q HN -0.076 8.226 8.270 0.222 0.102 0.418 123 Y N -5.326 115.075 120.300 0.169 0.000 2.632 123 Y HA -0.156 4.480 4.550 0.144 0.000 0.301 123 Y C 0.614 176.559 175.900 0.076 0.000 1.172 123 Y CA 0.976 59.159 58.100 0.139 0.000 1.328 123 Y CB -1.096 37.464 38.460 0.166 0.000 1.016 123 Y HN -0.531 8.144 8.280 0.799 0.084 0.529 124 T N -2.689 111.975 114.554 0.184 0.000 3.054 124 T HA -0.100 4.279 4.350 0.048 0.000 0.259 124 T C -0.202 174.474 174.700 -0.039 0.000 1.092 124 T CA 3.122 65.256 62.100 0.056 0.000 1.121 124 T CB 1.068 69.960 68.868 0.041 0.000 0.912 124 T HN -0.075 8.070 8.240 0.215 0.225 0.489 125 Q N -1.103 118.666 119.800 -0.052 0.000 2.143 125 Q HA 0.136 4.371 4.340 -0.175 0.000 0.242 125 Q C 1.662 177.506 176.000 -0.260 0.000 0.790 125 Q CA 0.239 55.929 55.803 -0.188 0.000 0.954 125 Q CB 1.495 30.077 28.738 -0.259 0.000 1.155 125 Q HN -0.448 7.728 8.270 0.026 0.109 0.474 126 Y N 3.011 123.271 120.300 -0.067 0.000 3.007 126 Y HA -0.192 4.319 4.550 -0.064 0.000 0.390 126 Y C 0.403 176.252 175.900 -0.085 0.000 1.065 126 Y CA 0.928 58.975 58.100 -0.088 0.000 1.845 126 Y CB -2.260 36.117 38.460 -0.138 0.000 1.828 126 Y HN -0.128 8.203 8.280 0.084 0.000 0.458 127 G N 1.318 110.130 108.800 0.020 0.000 2.611 127 G HA2 -0.439 3.638 3.960 -0.008 0.000 0.301 127 G HA3 -0.439 3.537 3.960 0.027 0.000 0.301 127 G C 0.034 174.942 174.900 0.014 0.000 1.233 127 G CA -0.511 44.597 45.100 0.014 0.000 0.993 127 G HN -0.489 7.688 8.290 -0.044 0.086 0.553 128 G N 0.420 109.227 108.800 0.012 0.000 2.608 128 G HA2 -0.138 3.828 3.960 0.009 0.000 0.283 128 G HA3 -0.138 3.825 3.960 0.005 0.000 0.283 128 G C -1.303 173.598 174.900 0.003 0.000 0.648 128 G CA 1.045 46.149 45.100 0.007 0.000 2.117 128 G HN 0.146 8.446 8.290 0.016 0.000 0.545 129 V N 1.147 121.071 119.914 0.017 0.000 2.863 129 V HA -0.035 4.108 4.120 0.038 0.000 0.259 129 V C -2.127 174.018 176.094 0.085 0.000 1.683 129 V CA -0.274 62.053 62.300 0.044 0.000 0.892 129 V CB 3.235 35.060 31.823 0.003 0.000 1.222 129 V HN -0.373 7.790 8.190 0.021 0.039 0.469 130 R N 8.827 129.362 120.500 0.059 0.000 2.442 130 R HA 0.186 4.549 4.340 0.038 0.000 0.291 130 R C -1.674 174.637 176.300 0.018 0.000 1.069 130 R CA -1.542 54.575 56.100 0.029 0.000 1.022 130 R CB 0.327 30.618 30.300 -0.015 0.000 0.976 130 R HN 0.191 8.485 8.270 0.041 0.000 0.443 131 P HA -0.057 4.460 4.420 0.162 0.000 0.270 131 P C -1.268 175.987 177.300 -0.075 0.000 1.223 131 P CA -0.034 63.099 63.100 0.055 0.000 0.785 131 P CB 0.519 32.267 31.700 0.079 0.000 0.923 132 Y N -0.224 120.010 120.300 -0.110 0.000 2.637 132 Y HA -0.126 4.490 4.550 -0.135 -0.147 0.350 132 Y C 1.669 177.532 175.900 -0.061 0.000 1.069 132 Y CA 1.008 59.028 58.100 -0.133 0.000 1.397 132 Y CB -0.744 37.594 38.460 -0.202 0.000 1.163 132 Y HN 0.294 8.716 8.280 0.236 0.000 0.527 133 G N 5.518 114.344 108.800 0.042 0.000 3.102 133 G HA2 -0.081 3.911 3.960 0.054 0.000 0.264 133 G HA3 -0.081 3.894 3.960 0.026 0.000 0.264 133 G C -2.604 172.325 174.900 0.047 0.000 0.788 133 G CA 0.506 45.632 45.100 0.044 0.000 2.029 133 G HN 0.605 9.135 8.290 -0.020 -0.252 0.608 134 V N 1.941 121.891 119.914 0.060 0.000 3.147 134 V HA 0.723 4.994 4.120 0.017 -0.141 0.299 134 V C -3.026 173.076 176.094 0.015 0.000 1.302 134 V CA -1.582 60.737 62.300 0.032 0.000 1.015 134 V CB 4.273 36.117 31.823 0.036 0.000 1.086 134 V HN -0.144 8.049 8.190 0.077 0.043 0.437 135 S N 4.189 119.881 115.700 -0.012 0.000 2.541 135 S HA 0.835 5.428 4.470 -0.011 -0.130 0.280 135 S C -1.957 172.598 174.600 -0.076 0.000 1.112 135 S CA -1.017 57.168 58.200 -0.025 0.000 0.925 135 S CB 2.729 65.922 63.200 -0.012 0.000 1.067 135 S HN 0.025 8.323 8.310 -0.020 0.000 0.479 136 L N -2.047 119.106 121.223 -0.116 0.000 2.469 136 L HA 0.851 5.148 4.340 -0.208 -0.082 0.256 136 L C -2.104 174.584 176.870 -0.303 0.000 1.006 136 L CA -1.038 53.654 54.840 -0.248 0.000 0.832 136 L CB 3.514 45.350 42.059 -0.372 0.000 1.421 136 L HN 0.838 9.027 8.230 -0.068 0.000 0.410 137 I N -6.701 113.648 120.570 -0.369 0.000 2.466 137 I HA 0.629 4.827 4.170 -0.111 -0.094 0.289 137 I C -1.847 174.069 176.117 -0.336 0.000 1.026 137 I CA -1.656 59.499 61.300 -0.241 0.000 1.078 137 I CB 2.915 40.841 38.000 -0.123 0.000 1.249 137 I HN 0.443 8.433 8.210 -0.367 0.000 0.429 138 F N 6.123 126.138 119.950 0.108 0.000 2.399 138 F HA 0.736 5.470 4.527 0.079 -0.160 0.334 138 F C -0.806 175.098 175.800 0.174 0.000 1.097 138 F CA -1.941 56.132 58.000 0.121 0.000 1.076 138 F CB 2.700 41.769 39.000 0.115 0.000 1.162 138 F HN -0.128 8.346 8.300 0.289 0.000 0.495 139 A N 0.031 123.051 122.820 0.333 0.000 2.547 139 A HA 0.990 5.663 4.320 0.290 -0.179 0.297 139 A C -1.267 176.533 177.584 0.361 0.000 1.056 139 A CA -1.080 51.132 52.037 0.292 0.000 0.688 139 A CB 3.790 22.913 19.000 0.205 0.000 1.282 139 A HN 0.888 9.227 8.150 0.315 0.000 0.400 140 G N 0.520 109.474 108.800 0.256 0.000 2.320 140 G HA2 0.173 4.156 3.960 0.038 0.000 0.297 140 G HA3 0.173 4.451 3.960 0.307 -0.134 0.297 140 G C -3.169 171.785 174.900 0.089 0.000 1.344 140 G CA 0.749 45.962 45.100 0.189 0.000 0.851 140 G HN 0.259 8.665 8.290 0.193 0.000 0.567 141 I N 1.213 121.811 120.570 0.046 0.000 2.378 141 I HA 0.661 4.997 4.170 0.037 -0.144 0.291 141 I C -2.091 174.072 176.117 0.078 0.000 0.992 141 I CA -1.951 59.374 61.300 0.041 0.000 1.154 141 I CB 2.232 40.224 38.000 -0.015 0.000 1.315 141 I HN -0.222 8.019 8.210 0.053 0.000 0.448 142 D N 6.148 126.579 120.400 0.052 0.000 2.658 142 D HA 0.126 4.770 4.640 0.007 0.000 0.243 142 D C -0.513 175.785 176.300 -0.004 0.000 1.159 142 D CA -1.841 52.172 54.000 0.021 0.000 1.084 142 D CB 1.514 42.329 40.800 0.026 0.000 1.227 142 D HN 0.251 8.651 8.370 0.051 0.000 0.636 143 Q N -0.462 119.325 119.800 -0.022 0.000 2.135 143 Q HA -0.240 4.080 4.340 -0.034 0.000 0.204 143 Q C 1.848 177.841 176.000 -0.012 0.000 0.981 143 Q CA 2.248 58.034 55.803 -0.027 0.000 0.856 143 Q CB -0.113 28.601 28.738 -0.040 0.000 0.902 143 Q HN -0.080 8.173 8.270 -0.029 0.000 0.425 144 I N -3.692 116.878 120.570 -0.000 0.000 2.233 144 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 144 I C 0.466 176.587 176.117 0.006 0.000 1.093 144 I CA 1.238 62.541 61.300 0.007 0.000 1.380 144 I CB 0.760 38.773 38.000 0.023 0.000 1.067 144 I HN -0.094 8.233 8.210 0.005 -0.114 0.413 145 G N -4.020 104.787 108.800 0.010 0.000 2.356 145 G HA2 -0.046 3.912 3.960 -0.003 0.000 0.266 145 G HA3 -0.046 3.910 3.960 -0.006 0.000 0.266 145 G C -3.396 171.504 174.900 -0.001 0.000 1.312 145 G CA -0.218 44.881 45.100 -0.000 0.000 0.922 145 G HN -0.586 7.990 8.290 0.019 -0.275 0.480 146 P HA -0.011 4.378 4.420 -0.053 0.000 0.268 146 P C -1.708 175.583 177.300 -0.015 0.000 1.205 146 P CA 0.329 63.395 63.100 -0.056 0.000 0.771 146 P CB 0.261 31.879 31.700 -0.137 0.000 0.858 147 R N -0.680 119.840 120.500 0.033 0.000 2.740 147 R HA 0.437 4.765 4.340 -0.020 0.000 0.273 147 R C -1.984 174.375 176.300 0.099 0.000 0.998 147 R CA -1.390 54.755 56.100 0.076 0.000 0.900 147 R CB 4.953 35.410 30.300 0.263 0.000 1.223 147 R HN 0.740 8.933 8.270 0.046 0.104 0.466 148 L N 0.873 122.076 121.223 -0.033 0.000 2.543 148 L HA 0.735 5.382 4.340 0.209 -0.182 0.265 148 L C -2.378 174.416 176.870 -0.127 0.000 0.945 148 L CA -0.092 54.770 54.840 0.037 0.000 0.869 148 L CB 3.466 45.516 42.059 -0.015 0.000 1.294 148 L HN -0.056 8.158 8.230 -0.278 -0.151 0.405 149 F N 4.574 124.642 119.950 0.197 0.000 2.629 149 F HA 1.028 5.904 4.527 0.290 -0.175 0.316 149 F C -1.368 174.568 175.800 0.227 0.000 1.081 149 F CA -1.773 56.375 58.000 0.246 0.000 0.954 149 F CB 4.812 43.950 39.000 0.230 0.000 1.337 149 F HN 0.888 9.484 8.300 0.492 0.000 0.474 150 D N -1.146 119.526 120.400 0.453 0.000 2.523 150 D HA 0.499 5.356 4.640 0.164 -0.118 0.236 150 D C -1.881 174.584 176.300 0.275 0.000 1.094 150 D CA -1.726 52.423 54.000 0.249 0.000 0.942 150 D CB 3.835 44.685 40.800 0.083 0.000 1.447 150 D HN 0.565 9.258 8.370 0.539 0.000 0.479 151 C N -0.506 118.894 119.300 0.167 0.000 2.811 151 C HA 0.780 5.584 4.460 0.165 -0.245 0.352 151 C C -2.069 172.968 174.990 0.078 0.000 1.098 151 C CA -1.687 57.423 59.018 0.154 0.000 1.295 151 C CB 3.458 31.332 27.740 0.223 0.000 1.758 151 C HN 0.526 8.806 8.230 0.083 0.000 0.488 152 D N 6.548 126.991 120.400 0.073 0.000 2.506 152 D HA 0.732 5.393 4.640 0.036 0.000 0.254 152 D C -1.130 175.196 176.300 0.044 0.000 1.089 152 D CA -3.104 50.926 54.000 0.050 0.000 1.050 152 D CB -0.791 40.042 40.800 0.055 0.000 1.221 152 D HN -0.192 8.231 8.370 0.088 0.000 0.589 153 P HA -0.142 4.411 4.420 0.065 -0.094 0.218 153 P C -0.723 176.611 177.300 0.057 0.000 1.146 153 P CA 2.121 65.255 63.100 0.057 0.000 0.813 153 P CB 0.096 31.832 31.700 0.060 0.000 0.778 154 A N -7.577 115.271 122.820 0.047 0.000 2.206 154 A HA -0.082 4.263 4.320 0.041 0.000 0.211 154 A C 0.755 178.367 177.584 0.046 0.000 1.158 154 A CA 0.116 52.178 52.037 0.042 0.000 0.761 154 A CB -0.265 18.756 19.000 0.035 0.000 0.801 154 A HN -0.219 8.159 8.150 0.046 -0.200 0.473 155 G N -2.302 106.525 108.800 0.045 0.000 2.159 155 G HA2 -0.356 3.620 3.960 0.027 0.000 0.256 155 G HA3 -0.356 3.626 3.960 0.036 0.000 0.256 155 G C 0.011 174.942 174.900 0.052 0.000 0.977 155 G CA 0.200 45.323 45.100 0.039 0.000 0.652 155 G HN 0.148 8.345 8.290 0.044 0.119 0.531 156 T N 2.892 117.483 114.554 0.061 0.000 2.884 156 T HA -0.016 4.371 4.350 0.062 0.000 0.298 156 T C -1.345 173.417 174.700 0.103 0.000 0.998 156 T CA 2.067 64.210 62.100 0.071 0.000 1.124 156 T CB 0.971 69.879 68.868 0.066 0.000 0.931 156 T HN -0.020 8.498 8.240 0.059 -0.243 0.531 157 I N 4.733 125.371 120.570 0.113 0.000 2.582 157 I HA 0.663 5.161 4.170 0.215 -0.198 0.292 157 I C -2.427 173.804 176.117 0.190 0.000 1.066 157 I CA -2.441 58.965 61.300 0.176 0.000 1.053 157 I CB 3.657 41.749 38.000 0.153 0.000 1.241 157 I HN 0.190 8.454 8.210 0.090 0.000 0.421 158 N N 7.584 126.438 118.700 0.257 0.000 2.494 158 N HA 0.273 5.059 4.740 0.077 0.000 0.270 158 N C -2.800 172.768 175.510 0.097 0.000 1.285 158 N CA -0.586 52.524 53.050 0.101 0.000 0.812 158 N CB 3.965 42.371 38.487 -0.135 0.000 1.557 158 N HN 0.011 8.700 8.380 0.346 -0.102 0.487 159 E N 0.166 120.218 120.200 -0.245 0.000 2.179 159 E HA 0.584 4.742 4.350 -0.630 -0.185 0.275 159 E C -1.271 175.088 176.600 -0.403 0.000 0.945 159 E CA -1.287 54.766 56.400 -0.579 0.000 0.792 159 E CB 2.388 31.504 29.700 -0.973 0.000 1.125 159 E HN 0.170 8.388 8.360 -0.236 0.000 0.397 160 Y N 4.080 124.197 120.300 -0.305 0.000 2.630 160 Y HA 0.137 4.581 4.550 -0.177 0.000 0.337 160 Y C -0.641 175.131 175.900 -0.213 0.000 1.051 160 Y CA -0.522 57.453 58.100 -0.209 0.000 1.121 160 Y CB 1.986 40.346 38.460 -0.168 0.000 1.299 160 Y HN 0.243 8.488 8.280 -0.058 0.000 0.498 161 K N -0.681 119.706 120.400 -0.021 0.000 2.211 161 K HA -0.110 4.168 4.320 -0.070 0.000 0.201 161 K C -0.870 175.577 176.600 -0.255 0.000 1.052 161 K CA 1.096 57.306 56.287 -0.127 0.000 0.973 161 K CB 0.827 33.229 32.500 -0.162 0.000 0.766 161 K HN 0.359 8.624 8.250 0.025 0.000 0.466 162 A N -5.474 117.200 122.820 -0.243 0.000 2.597 162 A HA 0.504 4.819 4.320 -0.207 -0.119 0.292 162 A C -1.934 175.506 177.584 -0.240 0.000 1.057 162 A CA -0.386 51.474 52.037 -0.296 0.000 0.674 162 A CB 2.311 20.960 19.000 -0.584 0.000 1.278 162 A HN -0.744 7.346 8.150 -0.078 0.013 0.416 163 T N -0.734 113.636 114.554 -0.305 0.000 2.717 163 T HA 0.142 4.302 4.350 -0.318 0.000 0.315 163 T C -2.714 171.800 174.700 -0.311 0.000 1.746 163 T CA -0.427 61.410 62.100 -0.438 0.000 1.001 163 T CB 1.176 69.346 68.868 -1.163 0.000 1.673 163 T HN 0.716 8.811 8.240 -0.241 0.000 0.498 164 A N 0.491 123.147 122.820 -0.274 0.000 2.504 164 A HA 0.619 4.903 4.320 -0.177 -0.070 0.285 164 A C -3.126 174.358 177.584 -0.166 0.000 1.261 164 A CA -1.507 50.420 52.037 -0.184 0.000 0.741 164 A CB 3.184 22.108 19.000 -0.125 0.000 1.327 164 A HN 0.208 8.173 8.150 -0.308 0.000 0.441 165 I N -2.339 118.161 120.570 -0.117 0.000 2.947 165 I HA 0.196 4.319 4.170 -0.079 0.000 0.301 165 I C -1.610 174.467 176.117 -0.067 0.000 1.453 165 I CA -1.180 60.065 61.300 -0.091 0.000 0.984 165 I CB 4.230 42.169 38.000 -0.102 0.000 1.333 165 I HN 0.657 8.717 8.210 -0.107 0.086 0.475 166 G N 3.714 112.486 108.800 -0.047 0.000 2.443 166 G HA2 -0.341 3.730 3.960 -0.031 0.000 0.209 166 G HA3 -0.341 3.860 3.960 -0.041 -0.266 0.209 166 G C -0.114 174.772 174.900 -0.022 0.000 1.176 166 G CA 0.290 45.369 45.100 -0.035 0.000 1.074 166 G HN -0.311 7.955 8.290 -0.040 0.000 0.577 167 S N 3.772 119.460 115.700 -0.020 0.000 2.336 167 S HA -0.005 4.703 4.470 -0.005 -0.241 0.214 167 S C 2.501 177.096 174.600 -0.008 0.000 1.032 167 S CA 2.186 60.380 58.200 -0.011 0.000 1.001 167 S CB 0.156 63.349 63.200 -0.010 0.000 0.953 167 S HN -0.125 8.060 8.310 -0.024 0.111 0.430 168 G N -0.001 108.793 108.800 -0.011 0.000 3.375 168 G HA2 -0.010 3.952 3.960 0.004 0.000 0.247 168 G HA3 -0.010 3.947 3.960 -0.005 0.000 0.247 168 G C -0.316 174.579 174.900 -0.008 0.000 1.343 168 G CA -0.464 44.634 45.100 -0.005 0.000 1.368 168 G HN 0.365 8.645 8.290 -0.017 0.000 0.549 169 K N 2.373 122.766 120.400 -0.012 0.000 1.978 169 K HA -0.351 3.947 4.320 -0.036 0.000 0.214 169 K C 0.879 177.478 176.600 -0.001 0.000 1.049 169 K CA 3.685 59.961 56.287 -0.019 0.000 0.939 169 K CB 0.004 32.492 32.500 -0.020 0.000 0.721 169 K HN -0.291 7.848 8.250 -0.011 0.104 0.441 170 D N -0.937 119.470 120.400 0.012 0.000 2.149 170 D HA -0.389 4.267 4.640 0.027 0.000 0.194 170 D C 1.846 178.168 176.300 0.037 0.000 1.001 170 D CA 3.556 57.571 54.000 0.025 0.000 0.849 170 D CB -0.782 40.034 40.800 0.027 0.000 0.939 170 D HN 0.297 8.673 8.370 0.010 0.000 0.449 171 A N -0.045 122.798 122.820 0.038 0.000 1.835 171 A HA -0.266 4.091 4.320 0.063 0.000 0.215 171 A C 1.684 179.322 177.584 0.090 0.000 1.199 171 A CA 2.903 54.976 52.037 0.060 0.000 0.615 171 A CB -0.813 18.219 19.000 0.052 0.000 0.838 171 A HN -0.149 8.004 8.150 0.027 0.014 0.444 172 V N -0.445 119.505 119.914 0.060 0.000 2.392 172 V HA -0.399 3.780 4.120 0.098 0.000 0.249 172 V C 1.655 177.788 176.094 0.065 0.000 1.059 172 V CA 3.160 65.490 62.300 0.049 0.000 1.051 172 V CB 0.107 31.910 31.823 -0.033 0.000 0.658 172 V HN -0.469 7.739 8.190 0.031 0.000 0.455 173 V N -0.734 119.202 119.914 0.037 0.000 2.407 173 V HA -0.473 3.652 4.120 0.007 0.000 0.248 173 V C 1.112 177.257 176.094 0.086 0.000 1.055 173 V CA 4.201 66.521 62.300 0.033 0.000 1.049 173 V CB -0.143 31.687 31.823 0.011 0.000 0.662 173 V HN 0.550 8.753 8.190 0.022 0.000 0.455 174 S N 0.708 116.468 115.700 0.101 0.000 2.348 174 S HA -0.337 4.183 4.470 0.084 0.000 0.221 174 S C 1.809 176.510 174.600 0.168 0.000 1.033 174 S CA 3.901 62.164 58.200 0.106 0.000 1.010 174 S CB -0.441 62.806 63.200 0.079 0.000 0.891 174 S HN -0.665 7.608 8.310 0.087 0.089 0.442 175 F N 2.688 122.654 119.950 0.027 0.000 2.045 175 F HA -0.412 4.135 4.527 0.035 0.000 0.297 175 F C 1.217 177.052 175.800 0.059 0.000 1.114 175 F CA 3.092 61.114 58.000 0.036 0.000 1.207 175 F CB -0.048 38.970 39.000 0.030 0.000 0.964 175 F HN -0.505 7.965 8.300 0.284 0.000 0.486 176 L N -2.086 119.417 121.223 0.467 0.000 2.017 176 L HA -0.424 4.205 4.340 0.481 0.000 0.208 176 L C 2.250 179.286 176.870 0.276 0.000 1.073 176 L CA 2.598 57.651 54.840 0.354 0.000 0.745 176 L CB -1.833 40.318 42.059 0.154 0.000 0.894 176 L HN -0.105 8.328 8.230 0.339 0.000 0.432 177 E N -0.478 119.828 120.200 0.176 0.000 2.233 177 E HA -0.352 4.064 4.350 0.111 0.000 0.199 177 E C 1.842 178.519 176.600 0.128 0.000 1.004 177 E CA 2.830 59.305 56.400 0.126 0.000 0.819 177 E CB -0.194 29.560 29.700 0.090 0.000 0.738 177 E HN -0.202 8.093 8.360 0.158 0.161 0.478 178 R N -2.409 118.169 120.500 0.129 0.000 2.072 178 R HA -0.050 4.326 4.340 0.060 0.000 0.214 178 R C 1.673 178.029 176.300 0.092 0.000 1.168 178 R CA 1.904 58.047 56.100 0.072 0.000 1.020 178 R CB 1.098 31.392 30.300 -0.010 0.000 0.914 178 R HN -0.405 7.811 8.270 0.157 0.148 0.449 179 E N -2.687 117.596 120.200 0.138 0.000 2.437 179 E HA -0.014 4.387 4.350 0.084 0.000 0.189 179 E C -0.322 176.421 176.600 0.239 0.000 1.054 179 E CA -0.106 56.394 56.400 0.166 0.000 0.874 179 E CB 0.719 30.514 29.700 0.160 0.000 1.011 179 E HN 0.032 8.392 8.360 0.177 0.106 0.474 180 Y N 2.167 122.556 120.300 0.148 0.000 2.465 180 Y HA -0.210 4.416 4.550 0.127 0.000 0.331 180 Y C -0.788 175.164 175.900 0.086 0.000 1.102 180 Y CA 1.245 59.415 58.100 0.117 0.000 1.358 180 Y CB 0.180 38.699 38.460 0.098 0.000 1.213 180 Y HN -0.234 8.125 8.280 0.345 0.129 0.525 181 K N 9.152 129.132 120.400 -0.700 0.000 2.281 181 K HA 0.199 4.334 4.320 -0.309 0.000 0.272 181 K C 0.145 176.259 176.600 -0.809 0.000 1.048 181 K CA -1.588 54.380 56.287 -0.532 0.000 0.898 181 K CB 0.919 33.266 32.500 -0.254 0.000 1.128 181 K HN 0.222 8.077 8.250 -0.658 0.000 0.460 182 E N 7.470 127.398 120.200 -0.454 0.000 2.094 182 E HA -0.440 3.910 4.350 -0.000 0.000 0.232 182 E C -0.050 176.509 176.600 -0.068 0.000 1.055 182 E CA 2.768 59.071 56.400 -0.161 0.000 0.923 182 E CB 0.163 29.859 29.700 -0.008 0.000 0.815 182 E HN 0.661 8.855 8.360 -0.277 0.000 0.502 183 N N -1.108 117.573 118.700 -0.031 0.000 2.714 183 N HA -0.005 4.787 4.740 0.087 0.000 0.298 183 N C -0.873 174.657 175.510 0.034 0.000 1.298 183 N CA -0.512 52.560 53.050 0.037 0.000 1.007 183 N CB -0.317 38.196 38.487 0.043 0.000 1.318 183 N HN -0.129 8.225 8.380 -0.043 0.000 0.516 184 L N 3.849 125.071 121.223 -0.003 0.000 2.477 184 L HA 0.078 4.399 4.340 -0.031 0.000 0.272 184 L C -2.057 174.824 176.870 0.018 0.000 1.157 184 L CA -1.949 52.882 54.840 -0.016 0.000 0.889 184 L CB 0.578 42.594 42.059 -0.071 0.000 1.158 184 L HN -0.784 7.335 8.230 -0.057 0.078 0.473 185 P HA 0.070 4.476 4.420 -0.022 0.000 0.268 185 P C 0.233 177.381 177.300 -0.255 0.000 1.205 185 P CA -0.067 62.987 63.100 -0.077 0.000 0.771 185 P CB 0.853 32.531 31.700 -0.038 0.000 0.858 186 E N 6.489 126.362 120.200 -0.545 0.000 2.110 186 E HA -0.592 2.887 4.350 -1.451 0.000 0.225 186 E C 1.788 178.196 176.600 -0.319 0.000 1.063 186 E CA 4.919 60.843 56.400 -0.793 0.000 0.906 186 E CB 0.103 29.425 29.700 -0.629 0.000 0.795 186 E HN 0.458 8.543 8.360 -0.459 0.000 0.479 187 K N -2.102 118.245 120.400 -0.088 0.000 2.059 187 K HA -0.406 4.098 4.320 0.307 0.000 0.212 187 K C 2.500 179.170 176.600 0.118 0.000 1.050 187 K CA 3.553 59.920 56.287 0.134 0.000 0.927 187 K CB -0.426 32.154 32.500 0.135 0.000 0.714 187 K HN 0.110 8.305 8.250 -0.092 0.000 0.447 188 E N -1.858 118.351 120.200 0.015 0.000 2.107 188 E HA -0.196 4.192 4.350 0.062 0.000 0.191 188 E C 2.136 178.727 176.600 -0.015 0.000 0.982 188 E CA 2.645 59.056 56.400 0.018 0.000 0.809 188 E CB -0.051 29.647 29.700 -0.002 0.000 0.756 188 E HN -0.440 7.897 8.360 -0.030 0.005 0.459 189 A N 1.526 124.295 122.820 -0.085 0.000 1.883 189 A HA -0.252 4.057 4.320 -0.018 0.000 0.217 189 A C 1.692 179.228 177.584 -0.081 0.000 1.186 189 A CA 3.361 55.354 52.037 -0.073 0.000 0.624 189 A CB -0.391 18.530 19.000 -0.132 0.000 0.822 189 A HN 0.234 8.123 8.150 -0.136 0.179 0.444 190 V N -2.946 116.869 119.914 -0.164 0.000 2.490 190 V HA -0.534 3.443 4.120 -0.238 0.000 0.250 190 V C 1.155 177.164 176.094 -0.141 0.000 1.061 190 V CA 3.982 66.129 62.300 -0.255 0.000 1.064 190 V CB 0.046 31.528 31.823 -0.569 0.000 0.670 190 V HN 0.536 8.605 8.190 -0.201 0.000 0.461 191 T N 3.393 117.952 114.554 0.009 0.000 2.668 191 T HA -0.413 4.016 4.350 0.131 0.000 0.262 191 T C 1.531 176.233 174.700 0.003 0.000 1.045 191 T CA 5.175 67.325 62.100 0.083 0.000 1.152 191 T CB -0.138 68.809 68.868 0.132 0.000 0.864 191 T HN -0.737 7.417 8.240 0.033 0.106 0.419 192 L N 1.250 122.472 121.223 -0.001 0.000 2.051 192 L HA -0.446 3.907 4.340 0.022 0.000 0.214 192 L C 1.785 178.558 176.870 -0.162 0.000 1.076 192 L CA 3.213 58.040 54.840 -0.023 0.000 0.758 192 L CB -0.682 41.395 42.059 0.029 0.000 0.890 192 L HN 0.356 8.594 8.230 0.013 0.000 0.433 193 G N -1.561 107.165 108.800 -0.122 0.000 2.480 193 G HA2 -0.428 3.420 3.960 -0.188 0.000 0.216 193 G HA3 -0.428 3.454 3.960 -0.130 0.000 0.216 193 G C 0.748 175.522 174.900 -0.210 0.000 1.200 193 G CA 2.038 47.038 45.100 -0.167 0.000 0.782 193 G HN 0.062 8.309 8.290 -0.074 -0.002 0.554 194 I N 2.175 122.653 120.570 -0.153 0.000 2.335 194 I HA -0.505 3.589 4.170 -0.127 0.000 0.251 194 I C 1.235 177.280 176.117 -0.120 0.000 1.129 194 I CA 2.922 64.151 61.300 -0.117 0.000 1.402 194 I CB -0.114 37.852 38.000 -0.056 0.000 1.069 194 I HN 0.202 8.331 8.210 -0.135 0.000 0.424 195 K N 0.071 120.384 120.400 -0.146 0.000 2.001 195 K HA -0.371 3.939 4.320 -0.017 0.000 0.208 195 K C 1.739 178.132 176.600 -0.345 0.000 1.048 195 K CA 3.761 59.974 56.287 -0.123 0.000 0.932 195 K CB -0.079 32.411 32.500 -0.016 0.000 0.715 195 K HN 0.202 8.354 8.250 -0.132 0.018 0.437 196 A N 0.007 122.307 122.820 -0.867 0.000 1.883 196 A HA -0.240 2.921 4.320 -1.931 0.000 0.217 196 A C 2.295 179.653 177.584 -0.377 0.000 1.186 196 A CA 2.981 54.314 52.037 -1.173 0.000 0.624 196 A CB -0.667 17.692 19.000 -1.070 0.000 0.822 196 A HN 0.047 7.731 8.150 -0.777 0.000 0.444 197 L N -1.332 119.736 121.223 -0.259 0.000 1.989 197 L HA -0.376 3.895 4.340 -0.114 0.000 0.211 197 L C 1.279 178.105 176.870 -0.073 0.000 1.071 197 L CA 3.073 57.833 54.840 -0.133 0.000 0.749 197 L CB -0.493 41.496 42.059 -0.117 0.000 0.890 197 L HN 0.281 8.334 8.230 -0.294 0.000 0.431 198 K N -1.182 119.180 120.400 -0.064 0.000 1.980 198 K HA -0.472 4.079 4.320 -0.008 -0.236 0.223 198 K C 2.436 179.053 176.600 0.028 0.000 1.052 198 K CA 3.298 59.580 56.287 -0.009 0.000 0.974 198 K CB -0.104 32.402 32.500 0.010 0.000 0.734 198 K HN 0.064 8.145 8.250 -0.096 0.112 0.447 199 S N -1.821 113.926 115.700 0.078 0.000 2.407 199 S HA -0.450 4.093 4.470 0.122 0.000 0.244 199 S C 1.255 175.913 174.600 0.096 0.000 1.077 199 S CA 3.392 61.676 58.200 0.141 0.000 1.159 199 S CB -0.685 62.713 63.200 0.329 0.000 1.045 199 S HN -0.108 8.248 8.310 0.076 0.000 0.438 200 S N 1.932 117.680 115.700 0.080 0.000 2.523 200 S HA -0.229 4.282 4.470 0.068 0.000 0.226 200 S C 2.092 176.710 174.600 0.029 0.000 1.062 200 S CA 2.378 60.609 58.200 0.051 0.000 1.207 200 S CB 0.220 63.433 63.200 0.021 0.000 1.151 200 S HN -0.636 7.719 8.310 0.076 0.000 0.408 201 L N -1.331 119.898 121.223 0.010 0.000 2.362 201 L HA -0.081 4.263 4.340 0.006 0.000 0.219 201 L C 1.741 178.617 176.870 0.010 0.000 1.134 201 L CA 1.287 56.130 54.840 0.005 0.000 0.807 201 L CB -0.314 41.740 42.059 -0.008 0.000 0.927 201 L HN -0.585 7.645 8.230 0.000 0.000 0.447 202 E N -1.097 119.113 120.200 0.017 0.000 2.651 202 E HA -0.113 4.245 4.350 0.013 0.000 0.236 202 E C -0.060 176.553 176.600 0.022 0.000 1.422 202 E CA -0.542 55.870 56.400 0.020 0.000 1.534 202 E CB -2.678 27.037 29.700 0.024 0.000 1.381 202 E HN 0.167 8.482 8.360 0.021 0.057 0.435 203 E N 0.019 120.231 120.200 0.018 0.000 2.170 203 E HA -0.108 4.254 4.350 0.020 0.000 0.191 203 E C 1.058 177.666 176.600 0.013 0.000 0.981 203 E CA 1.396 57.806 56.400 0.017 0.000 0.830 203 E CB 0.344 30.053 29.700 0.015 0.000 0.775 203 E HN 0.021 8.276 8.360 0.016 0.115 0.470 204 G N -0.405 108.402 108.800 0.011 0.000 3.562 204 G HA2 0.049 4.014 3.960 0.008 0.000 0.279 204 G HA3 0.049 4.013 3.960 0.006 0.000 0.279 204 G C -0.781 174.124 174.900 0.009 0.000 1.314 204 G CA -0.933 44.172 45.100 0.008 0.000 1.189 204 G HN -0.504 7.776 8.290 0.010 0.016 0.562 205 E N -0.617 119.590 120.200 0.012 0.000 4.217 205 E HA -0.637 3.723 4.350 0.017 0.000 0.199 205 E C -1.002 175.606 176.600 0.013 0.000 1.296 205 E CA 2.526 58.934 56.400 0.014 0.000 2.222 205 E CB -1.330 28.377 29.700 0.012 0.000 1.890 205 E HN -0.328 7.937 8.360 0.014 0.103 0.299 206 E N 1.145 121.350 120.200 0.010 0.000 2.406 206 E HA -0.112 4.245 4.350 0.011 0.000 0.258 206 E C 0.505 177.109 176.600 0.007 0.000 1.043 206 E CA 0.194 56.600 56.400 0.009 0.000 0.929 206 E CB 0.151 29.855 29.700 0.007 0.000 0.969 206 E HN -0.261 8.065 8.360 0.009 0.039 0.462 207 L N 7.686 128.914 121.223 0.008 0.000 2.376 207 L HA -0.177 4.361 4.340 -0.000 -0.198 0.219 207 L C -0.532 176.338 176.870 0.000 0.000 1.133 207 L CA 1.286 56.128 54.840 0.003 0.000 0.816 207 L CB 0.052 42.114 42.059 0.005 0.000 0.933 207 L HN 0.278 8.515 8.230 0.011 0.000 0.449 208 K N -5.002 115.401 120.400 0.005 0.000 1.968 208 K HA -0.361 3.963 4.320 0.006 0.000 0.393 208 K C -1.548 175.057 176.600 0.007 0.000 1.775 208 K CA 1.255 57.545 56.287 0.004 0.000 0.654 208 K CB -0.748 31.752 32.500 -0.001 0.000 1.066 208 K HN -0.368 7.845 8.250 0.007 0.042 0.701 209 A N 1.993 124.816 122.820 0.004 0.000 2.277 209 A HA 0.470 4.799 4.320 0.016 0.000 0.318 209 A C -2.896 174.685 177.584 -0.004 0.000 1.339 209 A CA -2.309 49.733 52.037 0.008 0.000 0.875 209 A CB 0.377 19.384 19.000 0.012 0.000 1.158 209 A HN 0.129 8.279 8.150 0.000 0.000 0.514 210 P HA 0.109 4.604 4.420 -0.039 -0.098 0.278 210 P C -1.657 175.619 177.300 -0.040 0.000 1.238 210 P CA -0.843 62.236 63.100 -0.035 0.000 0.794 210 P CB 0.978 32.647 31.700 -0.051 0.000 0.955 211 E N 2.282 122.447 120.200 -0.057 0.000 2.109 211 E HA 0.312 4.640 4.350 -0.036 0.000 0.278 211 E C -1.858 174.680 176.600 -0.103 0.000 0.954 211 E CA -1.232 55.133 56.400 -0.058 0.000 0.779 211 E CB 2.435 32.105 29.700 -0.051 0.000 1.093 211 E HN 0.489 8.812 8.360 -0.063 0.000 0.401 212 I N 5.298 125.790 120.570 -0.130 0.000 2.686 212 I HA 0.783 4.994 4.170 -0.205 -0.164 0.295 212 I C -2.999 172.994 176.117 -0.206 0.000 1.114 212 I CA -2.284 58.866 61.300 -0.249 0.000 1.038 212 I CB 3.927 41.641 38.000 -0.478 0.000 1.238 212 I HN 0.462 8.625 8.210 -0.078 0.000 0.420 213 A N 6.401 129.131 122.820 -0.149 0.000 2.515 213 A HA 0.849 5.392 4.320 0.182 -0.114 0.298 213 A C -2.496 175.194 177.584 0.175 0.000 1.059 213 A CA -1.223 50.850 52.037 0.061 0.000 0.698 213 A CB 4.010 23.023 19.000 0.022 0.000 1.289 213 A HN 0.750 8.801 8.150 -0.165 0.000 0.404 214 S N -0.205 115.722 115.700 0.378 0.000 2.536 214 S HA 0.794 5.611 4.470 0.370 -0.125 0.271 214 S C -1.766 172.960 174.600 0.211 0.000 1.134 214 S CA -0.781 57.636 58.200 0.362 0.000 0.897 214 S CB 3.417 66.832 63.200 0.359 0.000 1.094 214 S HN 0.944 9.417 8.310 0.445 0.105 0.473 215 I N 1.393 121.879 120.570 -0.140 0.000 2.785 215 I HA 0.396 4.435 4.170 -0.218 0.000 0.302 215 I C -2.535 173.470 176.117 -0.187 0.000 1.069 215 I CA -1.694 59.363 61.300 -0.405 0.000 1.045 215 I CB 3.696 40.979 38.000 -1.194 0.000 1.236 215 I HN 0.705 8.868 8.210 -0.078 0.000 0.429 216 T N 4.570 119.063 114.554 -0.102 0.000 2.916 216 T HA 0.195 4.483 4.350 -0.103 0.000 0.292 216 T C -1.233 173.438 174.700 -0.049 0.000 1.055 216 T CA -2.683 59.397 62.100 -0.034 0.000 1.009 216 T CB 1.929 70.861 68.868 0.106 0.000 1.118 216 T HN 0.232 8.403 8.240 -0.114 0.000 0.497 217 V N 4.719 124.612 119.914 -0.034 0.000 2.694 217 V HA -0.385 3.735 4.120 0.000 0.000 0.306 217 V C 0.788 176.898 176.094 0.027 0.000 1.054 217 V CA 1.874 64.172 62.300 -0.003 0.000 1.161 217 V CB -0.178 31.642 31.823 -0.005 0.000 0.916 217 V HN 0.455 8.507 8.190 -0.047 0.110 0.490 218 G N 6.524 115.357 108.800 0.055 0.000 2.254 218 G HA2 -0.222 3.780 3.960 0.071 0.000 0.225 218 G HA3 -0.222 3.767 3.960 0.048 0.000 0.225 218 G C -1.427 173.527 174.900 0.089 0.000 1.003 218 G CA -0.280 44.860 45.100 0.067 0.000 0.622 218 G HN 0.605 8.939 8.290 0.073 0.000 0.507 219 N N -0.895 117.842 118.700 0.061 0.000 3.204 219 N HA 0.187 4.973 4.740 0.076 0.000 0.285 219 N C -1.899 173.494 175.510 -0.195 0.000 1.536 219 N CA -0.967 52.084 53.050 0.002 0.000 0.832 219 N CB 1.659 40.138 38.487 -0.014 0.000 1.645 219 N HN -0.464 7.873 8.380 0.032 0.062 0.586 220 K N -2.499 117.707 120.400 -0.323 0.000 2.120 220 K HA -0.013 3.814 4.320 -0.976 -0.093 0.245 220 K C 0.048 176.504 176.600 -0.240 0.000 1.024 220 K CA -0.059 55.922 56.287 -0.510 0.000 0.906 220 K CB 0.878 33.150 32.500 -0.381 0.000 1.051 220 K HN -0.105 8.032 8.250 -0.189 0.000 0.491 221 Y N -0.274 119.898 120.300 -0.213 0.000 2.550 221 Y HA -0.295 4.234 4.550 -0.035 0.000 0.343 221 Y C 0.145 176.029 175.900 -0.027 0.000 1.245 221 Y CA 2.481 60.538 58.100 -0.073 0.000 1.462 221 Y CB 0.729 39.162 38.460 -0.046 0.000 1.340 221 Y HN -0.318 7.905 8.280 -0.096 0.000 0.604 222 R N 3.609 124.285 120.500 0.293 0.000 2.476 222 R HA 0.398 4.819 4.340 0.134 0.000 0.305 222 R C -1.855 174.613 176.300 0.280 0.000 0.965 222 R CA -1.243 54.978 56.100 0.202 0.000 0.867 222 R CB 2.901 33.279 30.300 0.131 0.000 1.176 222 R HN 0.335 8.839 8.270 0.390 0.000 0.447 223 I N 6.633 127.319 120.570 0.192 0.000 2.353 223 I HA -0.017 4.301 4.170 0.246 0.000 0.293 223 I C -0.604 175.664 176.117 0.251 0.000 0.992 223 I CA -0.779 60.643 61.300 0.203 0.000 1.268 223 I CB 1.171 39.225 38.000 0.090 0.000 1.387 223 I HN 0.340 8.627 8.210 0.128 0.000 0.478 224 Y N 7.881 128.188 120.300 0.013 0.000 2.425 224 Y HA -0.121 4.616 4.550 0.029 -0.171 0.331 224 Y C 0.765 176.677 175.900 0.019 0.000 1.157 224 Y CA -0.366 57.742 58.100 0.014 0.000 1.372 224 Y CB 0.492 38.943 38.460 -0.015 0.000 1.253 224 Y HN 0.056 8.620 8.280 0.474 0.000 0.536 225 D N 2.260 122.726 120.400 0.110 0.000 2.313 225 D HA -0.016 4.668 4.640 0.073 0.000 0.247 225 D C 0.692 177.051 176.300 0.099 0.000 1.094 225 D CA -0.842 53.204 54.000 0.078 0.000 0.925 225 D CB 1.697 42.517 40.800 0.032 0.000 1.188 225 D HN -0.151 8.373 8.370 0.027 -0.137 0.430 226 Q N 2.051 121.894 119.800 0.072 0.000 2.103 226 Q HA -0.499 3.883 4.340 0.070 0.000 0.213 226 Q C 1.678 177.725 176.000 0.079 0.000 1.008 226 Q CA 4.149 59.993 55.803 0.067 0.000 0.879 226 Q CB 0.021 28.785 28.738 0.043 0.000 0.946 226 Q HN 0.651 8.954 8.270 0.056 0.000 0.413 227 E N -2.192 118.048 120.200 0.065 0.000 2.051 227 E HA -0.313 4.069 4.350 0.054 0.000 0.192 227 E C 2.126 178.786 176.600 0.100 0.000 0.991 227 E CA 2.692 59.129 56.400 0.061 0.000 0.799 227 E CB -0.624 29.096 29.700 0.034 0.000 0.748 227 E HN -0.019 8.450 8.360 0.052 -0.078 0.449 228 E N -0.119 120.156 120.200 0.124 0.000 2.085 228 E HA -0.315 4.135 4.350 0.167 0.000 0.194 228 E C 2.368 179.230 176.600 0.437 0.000 0.994 228 E CA 2.578 59.108 56.400 0.216 0.000 0.801 228 E CB 0.048 29.815 29.700 0.112 0.000 0.743 228 E HN -0.758 7.803 8.360 0.093 -0.145 0.453 229 V N 0.002 120.128 119.914 0.353 0.000 2.358 229 V HA -0.443 3.920 4.120 0.405 0.000 0.246 229 V C 1.121 177.387 176.094 0.288 0.000 1.047 229 V CA 3.438 65.933 62.300 0.325 0.000 1.035 229 V CB -0.062 31.855 31.823 0.156 0.000 0.658 229 V HN 0.125 8.471 8.190 0.260 0.000 0.452 230 K N -1.223 119.287 120.400 0.183 0.000 2.280 230 K HA -0.316 4.067 4.320 0.105 0.000 0.202 230 K C 1.742 178.406 176.600 0.106 0.000 1.047 230 K CA 2.753 59.112 56.287 0.119 0.000 0.942 230 K CB -0.382 32.162 32.500 0.073 0.000 0.739 230 K HN -0.298 8.048 8.250 0.159 0.000 0.457 231 K N -2.087 118.386 120.400 0.122 0.000 2.097 231 K HA -0.195 4.091 4.320 -0.057 0.000 0.205 231 K C 1.455 177.983 176.600 -0.120 0.000 1.050 231 K CA 2.661 58.920 56.287 -0.046 0.000 0.938 231 K CB 0.310 32.713 32.500 -0.162 0.000 0.718 231 K HN -0.492 7.722 8.250 0.190 0.149 0.442 232 F N -4.572 115.400 119.950 0.037 0.000 2.569 232 F HA -0.084 4.454 4.527 0.018 0.000 0.295 232 F C 0.733 176.538 175.800 0.008 0.000 1.115 232 F CA 0.986 58.999 58.000 0.022 0.000 1.450 232 F CB 0.444 39.459 39.000 0.024 0.000 1.107 232 F HN -0.778 7.751 8.300 0.546 0.100 0.563 233 L N 0.000 121.340 121.223 0.195 0.000 2.949 233 L HA 0.000 4.397 4.340 0.095 0.000 0.249 233 L CA 0.000 54.903 54.840 0.105 0.000 0.813 233 L CB 0.000 42.110 42.059 0.084 0.000 0.961 233 L HN 0.000 8.239 8.230 0.229 0.129 0.502