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 2ku2_1_F DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AGGRAITVFS 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 3.961 3.960 0.001 0.000 0.244 -3 G C 0.000 174.901 174.900 0.001 0.000 0.946 -3 G CA 0.000 45.101 45.100 0.001 0.000 0.502 -2 A N -0.327 122.494 122.820 0.001 0.000 2.604 -2 A HA 0.303 4.624 4.320 0.001 0.000 0.295 -2 A C -1.175 176.410 177.584 0.002 0.000 1.067 -2 A CA -0.306 51.732 52.037 0.001 0.000 0.683 -2 A CB 1.362 20.363 19.000 0.001 0.000 1.281 -2 A HN -0.017 8.134 8.150 0.002 0.000 0.407 -1 M N 1.561 121.162 119.600 0.002 0.000 2.216 -1 M HA 0.128 4.609 4.480 0.003 0.000 0.356 -1 M C 0.365 176.667 176.300 0.003 0.000 1.205 -1 M CA 0.092 55.394 55.300 0.003 0.000 1.122 -1 M CB 0.535 33.137 32.600 0.003 0.000 1.571 -1 M HN 0.183 8.474 8.290 0.002 0.000 0.464 0 G N 1.917 110.719 108.800 0.004 0.000 5.253 0 G HA2 0.285 4.248 3.960 0.004 0.000 0.238 0 G HA3 0.285 4.248 3.960 0.004 0.000 0.238 0 G C -1.039 173.864 174.900 0.005 0.000 0.867 0 G CA 0.168 45.270 45.100 0.004 0.000 0.717 0 G HN 0.254 8.547 8.290 0.004 0.000 0.405 1 M N -1.358 118.245 119.600 0.006 0.000 2.117 1 M HA -0.104 4.380 4.480 0.007 0.000 0.262 1 M C 0.064 176.369 176.300 0.008 0.000 1.065 1 M CA 1.728 57.033 55.300 0.007 0.000 1.114 1 M CB 0.573 33.178 32.600 0.007 0.000 1.361 1 M HN -0.351 7.943 8.290 0.005 0.000 0.408 2 Q N -0.522 119.283 119.800 0.008 0.000 2.456 2 Q HA 0.121 4.468 4.340 0.012 0.000 0.252 2 Q C 0.098 176.103 176.000 0.009 0.000 1.042 2 Q CA -0.946 54.863 55.803 0.010 0.000 0.766 2 Q CB 0.117 28.862 28.738 0.011 0.000 1.196 2 Q HN -0.195 8.079 8.270 0.007 0.000 0.504 3 Q N 2.771 122.576 119.800 0.009 0.000 2.079 3 Q HA -0.192 4.151 4.340 0.006 0.000 0.200 3 Q C 0.977 176.981 176.000 0.008 0.000 0.974 3 Q CA 1.876 57.684 55.803 0.008 0.000 0.840 3 Q CB 0.434 29.177 28.738 0.008 0.000 0.898 3 Q HN 0.437 8.713 8.270 0.010 0.000 0.430 4 G N -4.348 104.459 108.800 0.011 0.000 4.275 4 G HA2 -0.030 3.934 3.960 0.007 0.000 0.153 4 G HA3 -0.030 3.935 3.960 0.009 0.000 0.153 4 G C -1.048 173.863 174.900 0.018 0.000 0.977 4 G CA -0.272 44.834 45.100 0.011 0.000 0.809 4 G HN -0.065 8.233 8.290 0.013 0.000 0.528 5 Q N 0.030 119.843 119.800 0.022 0.000 2.222 5 Q HA 0.228 4.590 4.340 0.038 0.000 0.252 5 Q C -1.662 174.357 176.000 0.032 0.000 0.926 5 Q CA -0.657 55.165 55.803 0.032 0.000 0.899 5 Q CB 1.363 30.121 28.738 0.033 0.000 1.250 5 Q HN -0.278 8.003 8.270 0.019 0.000 0.441 6 M N 0.374 119.999 119.600 0.041 0.000 2.531 6 M HA 0.062 4.560 4.480 0.031 0.000 0.286 6 M C -1.837 174.491 176.300 0.047 0.000 1.232 6 M CA -0.723 54.600 55.300 0.039 0.000 0.877 6 M CB 2.622 35.245 32.600 0.038 0.000 1.726 6 M HN 0.137 8.457 8.290 0.051 0.000 0.463 7 A N 2.275 125.118 122.820 0.038 0.000 2.462 7 A HA 0.142 4.485 4.320 0.039 0.000 0.243 7 A C -0.198 177.415 177.584 0.048 0.000 1.076 7 A CA -0.339 51.721 52.037 0.038 0.000 0.773 7 A CB 0.468 19.485 19.000 0.027 0.000 1.010 7 A HN 0.231 8.400 8.150 0.032 0.000 0.493 8 G N 0.089 108.922 108.800 0.055 0.000 2.333 8 G HA2 0.059 4.064 3.960 0.075 0.000 0.290 8 G HA3 0.059 4.069 3.960 0.083 0.000 0.290 8 G C -0.108 174.820 174.900 0.047 0.000 1.150 8 G CA -0.302 44.838 45.100 0.067 0.000 0.895 8 G HN 0.052 8.371 8.290 0.048 0.000 0.444 9 G N 1.209 110.035 108.800 0.043 0.000 2.483 9 G HA2 -0.023 3.953 3.960 0.027 0.000 0.248 9 G HA3 -0.023 3.953 3.960 0.028 0.000 0.248 9 G C -0.255 174.663 174.900 0.031 0.000 1.248 9 G CA -0.795 44.324 45.100 0.031 0.000 0.838 9 G HN 0.116 8.434 8.290 0.047 0.000 0.566 10 R N 1.608 122.123 120.500 0.026 0.000 2.096 10 R HA -0.245 4.116 4.340 0.036 0.000 0.235 10 R C 0.655 176.971 176.300 0.025 0.000 1.127 10 R CA 0.815 56.932 56.100 0.028 0.000 0.968 10 R CB -0.057 30.256 30.300 0.022 0.000 0.861 10 R HN 0.195 8.479 8.270 0.023 0.000 0.440 11 A N -0.463 122.368 122.820 0.018 0.000 2.555 11 A HA -0.106 4.222 4.320 0.014 0.000 0.233 11 A C -0.495 177.092 177.584 0.005 0.000 1.060 11 A CA -0.190 51.854 52.037 0.012 0.000 0.759 11 A CB 0.405 19.411 19.000 0.009 0.000 0.995 11 A HN -0.486 7.663 8.150 0.018 0.012 0.506 12 I N 2.245 122.816 120.570 0.001 0.000 2.347 12 I HA -0.029 4.129 4.170 -0.020 0.000 0.294 12 I C -1.252 174.843 176.117 -0.038 0.000 1.090 12 I CA 0.500 61.792 61.300 -0.014 0.000 1.314 12 I CB -0.481 37.520 38.000 0.002 0.000 1.423 12 I HN 0.050 8.264 8.210 0.007 0.000 0.503 13 T N 8.066 122.577 114.554 -0.072 0.000 5.420 13 T HA -0.074 4.183 4.350 -0.154 0.000 0.304 13 T C -1.892 172.747 174.700 -0.101 0.000 1.527 13 T CA 0.384 62.421 62.100 -0.105 0.000 0.437 13 T CB -0.506 68.323 68.868 -0.066 0.000 0.446 13 T HN 0.149 8.345 8.240 -0.075 0.000 0.191 14 V N 0.756 120.606 119.914 -0.106 0.000 2.448 14 V HA 0.283 4.410 4.120 0.012 0.000 0.295 14 V C -1.636 174.402 176.094 -0.093 0.000 1.025 14 V CA -1.002 61.273 62.300 -0.041 0.000 0.859 14 V CB 1.850 33.682 31.823 0.016 0.000 0.988 14 V HN -0.390 7.732 8.190 -0.113 0.000 0.431 15 F N 8.462 128.393 119.950 -0.031 0.000 2.399 15 F HA 0.254 4.880 4.527 -0.099 -0.159 0.342 15 F C 0.432 176.211 175.800 -0.034 0.000 1.106 15 F CA -0.247 57.717 58.000 -0.061 0.000 1.196 15 F CB 1.497 40.459 39.000 -0.063 0.000 1.163 15 F HN 0.189 8.627 8.300 0.229 0.000 0.547 16 S N 3.406 119.178 115.700 0.120 0.000 2.614 16 S HA 0.302 4.889 4.470 0.195 0.000 0.265 16 S C -0.524 174.144 174.600 0.114 0.000 1.303 16 S CA -1.336 56.942 58.200 0.129 0.000 1.000 16 S CB 0.035 63.251 63.200 0.027 0.000 0.935 16 S HN 0.495 8.822 8.310 0.029 0.000 0.551 17 P HA -0.059 4.395 4.420 0.056 0.000 0.234 17 P C -1.680 175.645 177.300 0.040 0.000 1.162 17 P CA 1.499 64.641 63.100 0.070 0.000 0.759 17 P CB -0.454 31.290 31.700 0.074 0.000 0.813 18 D N -5.440 114.981 120.400 0.036 0.000 2.440 18 D HA -0.050 4.592 4.640 0.003 0.000 0.216 18 D C 0.672 176.961 176.300 -0.018 0.000 1.150 18 D CA -0.615 53.388 54.000 0.005 0.000 0.832 18 D CB -0.416 40.392 40.800 0.013 0.000 0.992 18 D HN -0.745 7.554 8.370 0.046 0.098 0.502 19 G N 1.290 110.095 108.800 0.009 0.000 2.326 19 G HA2 -0.481 3.517 3.960 0.062 0.000 0.286 19 G HA3 -0.481 3.446 3.960 -0.056 0.000 0.286 19 G C -1.281 173.709 174.900 0.151 0.000 1.096 19 G CA 0.273 45.400 45.100 0.046 0.000 1.003 19 G HN 0.276 8.422 8.290 0.033 0.164 0.503 20 R N -1.880 118.660 120.500 0.067 0.000 2.725 20 R HA 0.252 4.546 4.340 -0.078 0.000 0.277 20 R C -2.065 174.005 176.300 -0.383 0.000 0.987 20 R CA -2.094 53.886 56.100 -0.201 0.000 0.901 20 R CB 3.902 33.897 30.300 -0.507 0.000 1.207 20 R HN -0.464 7.890 8.270 0.024 -0.069 0.463 21 L N 3.050 124.025 121.223 -0.412 0.000 2.288 21 L HA 0.350 4.404 4.340 -0.476 0.000 0.283 21 L C 0.496 177.134 176.870 -0.386 0.000 1.072 21 L CA -2.551 52.024 54.840 -0.441 0.000 0.862 21 L CB -2.016 39.802 42.059 -0.402 0.000 1.245 21 L HN 0.759 8.803 8.230 -0.309 0.000 0.432 22 F N 5.695 125.456 119.950 -0.315 0.000 2.126 22 F HA -0.509 3.734 4.527 -0.473 0.000 0.299 22 F C 1.576 176.884 175.800 -0.821 0.000 1.096 22 F CA 4.525 62.193 58.000 -0.553 0.000 1.255 22 F CB -0.168 38.510 39.000 -0.536 0.000 0.997 22 F HN -0.126 8.001 8.300 -0.289 0.000 0.479 23 Q N -1.850 117.756 119.800 -0.325 0.000 2.096 23 Q HA -0.358 3.857 4.340 -0.208 0.000 0.204 23 Q C 2.667 178.601 176.000 -0.110 0.000 0.982 23 Q CA 3.299 58.981 55.803 -0.201 0.000 0.850 23 Q CB -1.074 27.623 28.738 -0.068 0.000 0.901 23 Q HN 0.058 8.206 8.270 -0.203 0.000 0.422 24 V N 0.064 119.906 119.914 -0.120 0.000 2.490 24 V HA -0.434 3.681 4.120 -0.009 0.000 0.250 24 V C 1.565 177.645 176.094 -0.024 0.000 1.061 24 V CA 3.576 65.843 62.300 -0.055 0.000 1.064 24 V CB -0.273 31.505 31.823 -0.074 0.000 0.670 24 V HN -0.645 7.437 8.190 -0.169 0.007 0.461 25 E N 0.722 120.879 120.200 -0.073 0.000 2.017 25 E HA -0.338 4.037 4.350 0.042 0.000 0.193 25 E C 2.697 179.409 176.600 0.187 0.000 0.997 25 E CA 3.059 59.478 56.400 0.032 0.000 0.804 25 E CB -0.659 29.067 29.700 0.043 0.000 0.757 25 E HN -0.462 7.693 8.360 -0.168 0.105 0.448 26 Y N -1.338 119.018 120.300 0.094 0.000 2.181 26 Y HA -0.386 4.198 4.550 0.057 0.000 0.284 26 Y C 2.310 178.233 175.900 0.038 0.000 1.179 26 Y CA 0.763 58.899 58.100 0.060 0.000 1.179 26 Y CB -1.601 36.890 38.460 0.051 0.000 0.973 26 Y HN 0.265 8.460 8.280 -0.141 0.000 0.519 27 A N -1.869 121.066 122.820 0.192 0.000 1.877 27 A HA -0.429 3.953 4.320 0.103 0.000 0.216 27 A C 1.790 179.428 177.584 0.090 0.000 1.186 27 A CA 3.000 55.103 52.037 0.111 0.000 0.620 27 A CB -0.819 18.227 19.000 0.076 0.000 0.822 27 A HN 0.162 8.323 8.150 0.167 0.089 0.443 28 R N -1.895 118.658 120.500 0.089 0.000 2.103 28 R HA -0.441 3.932 4.340 0.054 0.000 0.242 28 R C 2.703 179.044 176.300 0.068 0.000 1.142 28 R CA 3.425 59.567 56.100 0.070 0.000 0.960 28 R CB -0.470 29.870 30.300 0.068 0.000 0.858 28 R HN -0.279 7.968 8.270 0.092 0.079 0.439 29 E N -1.524 118.731 120.200 0.093 0.000 2.070 29 E HA -0.330 4.056 4.350 0.060 0.000 0.197 29 E C 2.075 178.700 176.600 0.043 0.000 1.004 29 E CA 2.808 59.250 56.400 0.069 0.000 0.805 29 E CB -0.754 28.992 29.700 0.076 0.000 0.744 29 E HN -0.427 7.927 8.360 0.130 0.085 0.451 30 A N -2.208 120.639 122.820 0.045 0.000 1.986 30 A HA -0.177 4.153 4.320 0.016 0.000 0.220 30 A C 2.593 180.188 177.584 0.018 0.000 1.171 30 A CA 2.883 54.935 52.037 0.026 0.000 0.640 30 A CB -1.093 17.925 19.000 0.029 0.000 0.811 30 A HN -0.337 7.778 8.150 0.065 0.074 0.451 31 V N -3.776 116.152 119.914 0.023 0.000 2.548 31 V HA -0.305 3.818 4.120 0.005 0.000 0.249 31 V C 0.881 176.978 176.094 0.005 0.000 1.055 31 V CA 3.324 65.631 62.300 0.011 0.000 1.065 31 V CB -0.508 31.323 31.823 0.013 0.000 0.681 31 V HN -0.370 7.703 8.190 0.035 0.138 0.462 32 K N 0.256 120.664 120.400 0.012 0.000 2.147 32 K HA -0.237 4.253 4.320 0.004 -0.167 0.205 32 K C 2.205 178.806 176.600 0.002 0.000 1.049 32 K CA 3.261 59.553 56.287 0.008 0.000 0.936 32 K CB -0.376 32.134 32.500 0.018 0.000 0.722 32 K HN -0.512 7.653 8.250 0.021 0.098 0.446 33 K N -4.108 116.294 120.400 0.002 0.000 2.505 33 K HA -0.066 4.253 4.320 -0.003 0.000 0.192 33 K C 0.638 177.234 176.600 -0.007 0.000 1.025 33 K CA 0.031 56.317 56.287 -0.002 0.000 1.086 33 K CB -0.281 32.218 32.500 -0.002 0.000 0.840 33 K HN -0.776 7.454 8.250 0.007 0.024 0.514 34 G N -0.393 108.401 108.800 -0.009 0.000 2.535 34 G HA2 0.161 4.112 3.960 -0.014 0.000 0.303 34 G HA3 0.161 4.110 3.960 -0.018 0.000 0.303 34 G C -1.499 173.389 174.900 -0.020 0.000 1.237 34 G CA -1.856 43.234 45.100 -0.015 0.000 0.986 34 G HN -0.607 7.479 8.290 -0.008 0.199 0.494 35 S N -2.339 113.346 115.700 -0.026 0.000 2.589 35 S HA -0.083 4.372 4.470 -0.025 0.000 0.265 35 S C -0.390 174.188 174.600 -0.037 0.000 1.342 35 S CA 0.016 58.198 58.200 -0.030 0.000 1.005 35 S CB 0.587 63.767 63.200 -0.033 0.000 0.909 35 S HN 0.174 8.468 8.310 -0.026 0.000 0.555 36 T N 1.801 116.331 114.554 -0.039 0.000 2.837 36 T HA 0.627 5.133 4.350 -0.048 -0.185 0.285 36 T C -1.733 172.929 174.700 -0.062 0.000 0.984 36 T CA -0.746 61.325 62.100 -0.047 0.000 1.049 36 T CB 1.068 69.913 68.868 -0.040 0.000 0.947 36 T HN 0.228 8.447 8.240 -0.036 0.000 0.472 37 A N 6.797 129.572 122.820 -0.075 0.000 2.612 37 A HA 0.912 5.274 4.320 -0.088 -0.095 0.293 37 A C -3.114 174.408 177.584 -0.104 0.000 1.075 37 A CA -1.007 50.977 52.037 -0.089 0.000 0.680 37 A CB 3.180 22.125 19.000 -0.092 0.000 1.279 37 A HN 1.027 9.132 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 -0.141 -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 -0.122 0.000 0.903 38 L CB 3.544 45.529 42.059 -0.123 0.000 1.520 38 L HN 1.048 9.106 8.230 -0.106 0.109 0.402 39 G N -4.734 104.004 108.800 -0.105 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 -0.059 0.000 0.837 39 G HN 0.509 8.718 8.290 -0.135 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 0.032 0.000 0.915 40 M CB 4.362 37.032 32.600 0.116 0.000 1.734 40 M HN 0.153 8.471 8.290 0.046 0.000 0.485 41 K N 0.587 121.027 120.400 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 -0.001 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 0.100 0.000 3.084 42 F HA 0.600 5.185 4.527 0.097 0.000 0.336 42 F C 0.523 176.352 175.800 0.048 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 8.291 8.300 -0.487 0.000 0.522 43 A N 1.278 124.497 122.820 0.666 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 0.224 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 52.270 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 -1.485 106.954 108.800 -0.603 0.000 2.677 45 G HA2 0.677 4.389 3.960 -0.413 0.000 0.283 45 G HA3 0.677 4.424 3.960 -0.649 -0.176 0.283 45 G C -3.614 170.567 174.900 -1.199 0.000 1.221 45 G CA 0.390 45.028 45.100 -0.770 0.000 0.851 45 G HN -0.779 7.015 8.290 -0.828 0.000 0.504 46 V N -1.074 118.309 119.914 -0.884 0.000 3.048 46 V HA 0.787 4.685 4.120 -0.590 -0.132 0.303 46 V C -2.914 173.155 176.094 -0.042 0.000 1.214 46 V CA -2.307 59.710 62.300 -0.471 0.000 0.984 46 V CB 3.977 35.688 31.823 -0.186 0.000 1.054 46 V HN 0.301 8.122 8.190 -0.615 0.000 0.430 47 L N 2.389 123.715 121.223 0.172 0.000 2.333 47 L HA 0.956 5.551 4.340 0.252 -0.104 0.263 47 L C -2.889 174.042 176.870 0.101 0.000 1.014 47 L CA -1.844 53.127 54.840 0.219 0.000 0.820 47 L CB 3.509 45.710 42.059 0.237 0.000 1.352 47 L HN 0.055 8.374 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 5.325 4.340 -0.026 -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 0.063 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 -0.079 0.000 1.070 50 S HN 1.027 9.275 8.310 -0.103 0.000 0.480 51 D N 5.587 125.951 120.400 -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 6.282 126.671 120.400 -0.017 0.000 2.267 53 K HA 0.028 4.342 4.320 -0.010 0.000 0.282 53 K C -0.799 175.795 176.600 -0.010 0.000 1.078 53 K CA -0.296 55.983 56.287 -0.012 0.000 0.903 53 K CB 0.470 32.963 32.500 -0.013 0.000 1.111 53 K HN -0.256 7.982 8.250 -0.021 0.000 0.475 54 V N 3.704 123.614 119.914 -0.007 0.000 2.612 54 V HA 0.072 4.188 4.120 -0.006 0.000 0.301 54 V C -1.205 174.887 176.094 -0.004 0.000 1.046 54 V CA -0.823 61.474 62.300 -0.005 0.000 0.946 54 V CB 1.259 33.080 31.823 -0.003 0.000 1.003 54 V HN 0.216 8.402 8.190 -0.006 0.000 0.459 55 R N 5.170 125.668 120.500 -0.004 0.000 1.776 55 R HA 0.136 4.474 4.340 -0.003 0.000 0.146 55 R C -0.201 176.098 176.300 -0.002 0.000 2.057 55 R CA 0.076 56.174 56.100 -0.003 0.000 1.641 55 R CB 0.255 30.553 30.300 -0.004 0.000 1.256 55 R HN 0.160 8.428 8.270 -0.004 0.000 0.478 56 S N -1.146 114.553 115.700 -0.002 0.000 2.589 56 S HA 0.145 4.614 4.470 -0.001 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 -0.001 0.000 1.005 56 S CB 0.658 63.857 63.200 -0.001 0.000 0.909 56 S HN -0.066 8.242 8.310 -0.002 0.000 0.555 57 R N 1.771 122.271 120.500 0.000 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 57.481 56.100 0.001 0.000 0.990 57 R CB -0.280 30.020 30.300 0.001 0.000 0.889 57 R HN 0.506 8.776 8.270 -0.000 0.000 0.452 58 L N -2.811 118.412 121.223 -0.000 0.000 2.549 58 L HA -0.094 4.247 4.340 0.000 0.000 0.229 58 L C 0.411 177.281 176.870 -0.000 0.000 1.158 58 L CA 0.414 55.254 54.840 -0.000 0.000 0.842 58 L CB -0.568 41.490 42.059 -0.000 0.000 0.952 58 L HN -0.388 7.804 8.230 -0.000 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 -0.001 0.000 0.286 59 I C 1.225 177.342 176.117 -0.001 0.000 1.088 59 I CA -0.773 60.527 61.300 -0.001 0.000 1.397 59 I CB 0.091 38.090 38.000 -0.002 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 0.001 0.000 0.293 60 E C -0.221 176.379 176.600 -0.000 0.000 1.535 60 E CA -0.968 55.432 56.400 0.000 0.000 1.816 60 E CB -2.002 27.698 29.700 0.000 0.000 1.494 60 E HN 0.455 8.814 8.360 -0.001 0.000 0.464 61 Q N -0.283 119.518 119.800 0.000 0.000 2.478 61 Q HA -0.638 3.702 4.340 -0.000 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 0.001 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 55.405 53.050 0.000 0.000 0.893 62 N CB -0.965 37.524 38.487 0.004 0.000 1.025 62 N HN 0.289 8.671 8.380 0.004 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 -0.007 0.000 1.018 63 S CA 2.914 61.111 58.200 -0.004 0.000 0.988 63 S CB 0.020 63.219 63.200 -0.002 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 -0.012 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 -0.012 0.000 1.503 64 I CB -0.499 37.494 38.000 -0.011 0.000 1.506 64 I HN -0.161 7.895 8.210 -0.007 0.151 0.621 65 E N 4.351 124.540 120.200 -0.020 0.000 2.299 65 E HA -0.100 4.507 4.350 -0.028 -0.274 0.272 65 E C -0.651 175.927 176.600 -0.037 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 7.724 8.360 -0.016 0.078 0.432 66 K N 3.682 124.054 120.400 -0.046 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 8.709 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 0.043 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 42.891 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 -5.068 115.348 120.300 0.193 0.000 2.500 73 Y HA 0.082 4.714 4.550 0.138 0.000 0.246 73 Y C -1.483 174.576 175.900 0.265 0.000 1.146 73 Y CA -0.372 57.832 58.100 0.174 0.000 1.230 73 Y CB 1.125 39.629 38.460 0.074 0.000 1.214 73 Y HN -0.546 8.325 8.280 0.481 -0.302 0.526 74 V N -1.208 118.976 119.914 0.450 0.000 2.777 74 V HA 0.545 5.117 4.120 0.535 -0.130 0.306 74 V C -2.798 173.446 176.094 0.249 0.000 1.112 74 V CA -2.032 60.510 62.300 0.405 0.000 0.917 74 V CB 3.136 35.118 31.823 0.265 0.000 1.018 74 V HN 0.080 8.381 8.190 0.386 0.120 0.426 75 A N 7.273 130.198 122.820 0.174 0.000 2.437 75 A HA 0.942 5.300 4.320 -0.067 -0.078 0.292 75 A C -2.957 174.644 177.584 0.029 0.000 1.173 75 A CA -2.025 49.953 52.037 -0.097 0.000 0.785 75 A CB 4.268 22.904 19.000 -0.606 0.000 1.351 75 A HN 1.090 9.456 8.150 0.359 0.000 0.431 76 A N -2.708 120.067 122.820 -0.076 0.000 2.606 76 A HA 1.126 5.527 4.320 -0.189 -0.194 0.293 76 A C -2.996 174.464 177.584 -0.207 0.000 1.082 76 A CA -1.103 50.818 52.037 -0.192 0.000 0.685 76 A CB 4.069 22.853 19.000 -0.359 0.000 1.284 76 A HN 0.582 8.664 8.150 -0.113 0.000 0.408 77 V N -0.131 119.636 119.914 -0.246 0.000 3.040 77 V HA 0.812 4.984 4.120 -0.155 -0.145 0.312 77 V C -1.975 173.997 176.094 -0.204 0.000 1.115 77 V CA -2.364 59.827 62.300 -0.183 0.000 0.998 77 V CB 4.217 35.954 31.823 -0.143 0.000 1.042 77 V HN 0.309 8.317 8.190 -0.305 0.000 0.433 78 T N 5.636 120.103 114.554 -0.146 0.000 2.865 78 T HA 0.658 5.034 4.350 -0.154 -0.118 0.294 78 T C -1.466 173.183 174.700 -0.086 0.000 1.119 78 T CA -2.345 59.679 62.100 -0.127 0.000 1.007 78 T CB 1.222 70.024 68.868 -0.111 0.000 1.225 78 T HN -0.078 8.090 8.240 -0.119 0.000 0.515 79 S N 1.996 117.655 115.700 -0.068 0.000 2.566 79 S HA 0.314 4.758 4.470 -0.043 0.000 0.273 79 S C -1.483 173.101 174.600 -0.027 0.000 1.157 79 S CA 0.111 58.283 58.200 -0.046 0.000 0.938 79 S CB 2.279 65.449 63.200 -0.049 0.000 1.087 79 S HN 0.763 9.029 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 -0.002 0.000 0.196 80 G HA3 -0.107 3.963 3.960 0.001 -0.109 0.196 80 G C -2.083 172.815 174.900 -0.003 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 3.564 124.789 121.223 0.004 0.000 2.597 81 L HA 0.184 4.523 4.340 -0.002 0.000 0.271 81 L C 0.963 177.835 176.870 0.003 0.000 1.157 81 L CA -0.373 54.468 54.840 0.001 0.000 0.928 81 L CB -1.627 40.432 42.059 0.000 0.000 1.216 81 L HN 0.151 8.387 8.230 0.010 0.000 0.481 82 V N 8.871 128.784 119.914 -0.002 0.000 2.250 82 V HA -0.517 3.599 4.120 -0.006 0.000 0.250 82 V C 0.920 177.018 176.094 0.006 0.000 1.060 82 V CA 4.436 66.735 62.300 -0.002 0.000 1.030 82 V CB 0.201 32.021 31.823 -0.005 0.000 0.643 82 V HN 0.470 8.657 8.190 -0.005 0.000 0.445 83 A N -2.605 120.219 122.820 0.006 0.000 1.873 83 A HA -0.365 3.964 4.320 0.014 0.000 0.218 83 A C 1.592 179.193 177.584 0.029 0.000 1.193 83 A CA 3.468 55.511 52.037 0.011 0.000 0.629 83 A CB -1.142 17.859 19.000 0.001 0.000 0.826 83 A HN 0.209 8.359 8.150 0.001 0.000 0.447 84 D N -0.360 120.057 120.400 0.028 0.000 2.133 84 D HA -0.362 4.333 4.640 0.091 0.000 0.195 84 D C 2.026 178.392 176.300 0.111 0.000 0.997 84 D CA 3.163 57.212 54.000 0.082 0.000 0.840 84 D CB -0.619 40.218 40.800 0.063 0.000 0.947 84 D HN -0.243 8.133 8.370 0.010 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 55.226 52.037 0.023 0.000 0.617 85 A CB -0.422 18.574 19.000 -0.005 0.000 0.827 85 A HN 0.188 8.289 8.150 0.035 0.070 0.443 86 R N -0.998 119.520 120.500 0.030 0.000 2.097 86 R HA -0.350 4.005 4.340 0.025 0.000 0.236 86 R C 1.924 178.260 176.300 0.061 0.000 1.135 86 R CA 3.227 59.348 56.100 0.035 0.000 0.934 86 R CB -0.010 30.307 30.300 0.028 0.000 0.846 86 R HN -0.269 8.016 8.270 0.025 0.000 0.431 87 V N -0.277 119.684 119.914 0.079 0.000 2.282 87 V HA -0.464 3.718 4.120 0.103 0.000 0.249 87 V C 1.327 177.494 176.094 0.121 0.000 1.057 87 V CA 4.040 66.407 62.300 0.112 0.000 1.032 87 V CB 0.011 31.919 31.823 0.141 0.000 0.645 87 V HN -0.294 7.940 8.190 0.072 0.000 0.447 88 L N -1.443 119.829 121.223 0.082 0.000 2.083 88 L HA -0.352 3.937 4.340 -0.087 0.000 0.209 88 L C 1.952 178.883 176.870 0.102 0.000 1.083 88 L CA 3.146 57.986 54.840 0.000 0.000 0.752 88 L CB -0.290 41.718 42.059 -0.086 0.000 0.899 88 L HN -0.594 7.694 8.230 0.095 -0.001 0.433 89 V N 0.070 120.038 119.914 0.091 0.000 2.307 89 V HA -0.631 3.575 4.120 0.145 0.000 0.245 89 V C 1.867 178.039 176.094 0.129 0.000 1.045 89 V CA 5.207 67.571 62.300 0.107 0.000 1.024 89 V CB -0.337 31.516 31.823 0.050 0.000 0.651 89 V HN 0.257 8.381 8.190 0.063 0.104 0.449 90 D N 0.148 120.615 120.400 0.111 0.000 2.117 90 D HA -0.319 4.360 4.640 0.064 0.000 0.197 90 D C 1.991 178.353 176.300 0.104 0.000 0.987 90 D CA 3.622 57.677 54.000 0.092 0.000 0.829 90 D CB -0.313 40.533 40.800 0.076 0.000 0.961 90 D HN -0.175 8.255 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 61.768 58.000 0.006 0.000 1.212 91 F CB -0.116 38.874 39.000 -0.017 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 0.833 116.314 115.700 -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 -0.448 0.114 0.456 96 A N 0.877 123.625 122.820 -0.120 0.000 1.902 96 A HA -0.388 3.896 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 7.819 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 -0.099 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 59.606 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 -1.005 119.408 120.400 0.021 0.000 2.044 100 K HA -0.360 3.978 4.320 0.030 0.000 0.210 100 K C 3.014 179.612 176.600 -0.003 0.000 1.049 100 K CA 3.201 59.497 56.287 0.014 0.000 0.927 100 K CB -0.065 32.435 32.500 -0.000 0.000 0.713 100 K HN -0.414 7.839 8.250 0.004 0.000 0.443 101 V N -1.322 118.575 119.914 -0.029 0.000 2.626 101 V HA -0.257 3.843 4.120 -0.035 0.000 0.252 101 V C 1.571 177.615 176.094 -0.083 0.000 1.067 101 V CA 2.724 64.996 62.300 -0.048 0.000 1.081 101 V CB 0.072 31.864 31.823 -0.052 0.000 0.686 101 V HN 0.197 8.369 8.190 -0.031 0.000 0.468 102 T N -0.608 113.863 114.554 -0.137 0.000 2.901 102 T HA -0.146 4.075 4.350 -0.214 0.000 0.252 102 T C 1.334 175.845 174.700 -0.314 0.000 1.035 102 T CA 2.489 64.423 62.100 -0.278 0.000 1.142 102 T CB 0.651 69.252 68.868 -0.444 0.000 0.869 102 T HN -0.386 7.763 8.240 -0.112 0.024 0.442 103 Y N -1.188 119.093 120.300 -0.033 0.000 2.490 103 Y HA 0.058 4.591 4.550 -0.028 0.000 0.285 103 Y C 0.830 176.711 175.900 -0.032 0.000 1.117 103 Y CA 0.892 58.973 58.100 -0.032 0.000 1.262 103 Y CB 0.672 39.111 38.460 -0.035 0.000 1.043 103 Y HN -0.020 8.229 8.280 -0.051 0.000 0.553 104 G N -2.768 106.083 108.800 0.085 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 -0.001 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 6.758 127.960 121.223 -0.034 0.000 2.356 106 L HA 0.306 4.633 4.340 -0.022 0.000 0.282 106 L C -1.252 175.579 176.870 -0.064 0.000 1.132 106 L CA -0.995 53.822 54.840 -0.039 0.000 0.923 106 L CB -1.363 40.677 42.059 -0.032 0.000 1.278 106 L HN 0.417 8.615 8.230 -0.055 0.000 0.436 107 V N 6.026 125.894 119.914 -0.076 0.000 2.283 107 V HA -0.186 3.888 4.120 -0.076 0.000 0.243 107 V C -1.269 174.782 176.094 -0.070 0.000 1.039 107 V CA 1.993 64.243 62.300 -0.083 0.000 1.016 107 V CB 1.200 32.957 31.823 -0.109 0.000 0.650 107 V HN -0.395 7.748 8.190 -0.078 0.000 0.449 108 N N -3.855 114.796 118.700 -0.081 0.000 2.531 108 N HA 0.231 5.214 4.740 -0.036 -0.265 0.268 108 N C 0.791 176.249 175.510 -0.086 0.000 1.023 108 N CA -2.082 50.928 53.050 -0.065 0.000 0.896 108 N CB 0.461 38.906 38.487 -0.070 0.000 1.233 108 N HN -0.592 7.728 8.380 -0.101 0.000 0.512 109 I N 6.955 127.490 120.570 -0.058 0.000 2.423 109 I HA -0.499 3.606 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 3.051 4.350 -1.353 0.000 0.195 110 E C 1.886 178.222 176.600 -0.440 0.000 0.992 110 E CA 3.581 59.598 56.400 -0.638 0.000 0.804 110 E CB -0.472 29.053 29.700 -0.291 0.000 0.741 110 E HN 0.365 8.915 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 -0.177 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 -0.133 0.000 0.998 111 N HN -0.448 7.684 8.380 -0.210 0.121 0.424 112 L N 0.950 122.025 121.223 -0.247 0.000 1.990 112 L HA -0.304 3.932 4.340 -0.174 0.000 0.213 112 L C 1.109 177.745 176.870 -0.390 0.000 1.072 112 L CA 3.000 57.681 54.840 -0.265 0.000 0.755 112 L CB -0.449 41.449 42.059 -0.269 0.000 0.889 112 L HN -0.662 7.341 8.230 -0.238 0.084 0.432 113 V N -1.718 117.829 119.914 -0.611 0.000 2.407 113 V HA -0.611 2.903 4.120 -1.011 0.000 0.248 113 V C 1.463 177.345 176.094 -0.353 0.000 1.055 113 V CA 4.163 66.020 62.300 -0.738 0.000 1.049 113 V CB -0.499 30.846 31.823 -0.798 0.000 0.662 113 V HN -0.497 7.330 8.190 -0.604 0.000 0.455 114 K N -0.303 119.924 120.400 -0.289 0.000 2.063 114 K HA -0.396 3.850 4.320 -0.123 0.000 0.208 114 K C 2.305 178.852 176.600 -0.088 0.000 1.048 114 K CA 4.087 60.282 56.287 -0.154 0.000 0.928 114 K CB -0.446 31.976 32.500 -0.131 0.000 0.713 114 K HN -0.005 7.962 8.250 -0.357 0.069 0.442 115 R N -0.886 119.571 120.500 -0.071 0.000 2.073 115 R HA -0.294 4.070 4.340 0.040 0.000 0.234 115 R C 2.330 178.673 176.300 0.071 0.000 1.134 115 R CA 3.313 59.436 56.100 0.039 0.000 0.952 115 R CB -0.079 30.273 30.300 0.088 0.000 0.850 115 R HN -0.167 7.958 8.270 -0.117 0.074 0.433 116 V N -0.688 119.252 119.914 0.043 0.000 2.407 116 V HA -0.387 3.642 4.120 -0.152 0.000 0.248 116 V C 1.085 177.086 176.094 -0.154 0.000 1.055 116 V CA 2.401 64.676 62.300 -0.042 0.000 1.049 116 V CB -0.434 31.422 31.823 0.055 0.000 0.662 116 V HN -0.457 7.714 8.190 -0.032 0.000 0.455 117 A N 0.267 123.040 122.820 -0.079 0.000 1.877 117 A HA -0.283 4.007 4.320 -0.050 0.000 0.216 117 A C 1.846 179.397 177.584 -0.055 0.000 1.186 117 A CA 3.193 55.199 52.037 -0.052 0.000 0.620 117 A CB -0.603 18.389 19.000 -0.012 0.000 0.822 117 A HN 0.238 8.256 8.150 -0.078 0.085 0.443 118 D N -1.548 118.829 120.400 -0.037 0.000 2.182 118 D HA -0.365 4.288 4.640 0.021 0.000 0.201 118 D C 2.486 178.782 176.300 -0.008 0.000 0.986 118 D CA 3.521 57.520 54.000 -0.001 0.000 0.847 118 D CB -0.939 39.872 40.800 0.019 0.000 0.942 118 D HN 0.021 8.369 8.370 -0.036 0.000 0.467 119 Q N -0.477 119.252 119.800 -0.119 0.000 2.014 119 Q HA -0.338 3.964 4.340 -0.062 0.000 0.207 119 Q C 2.417 178.394 176.000 -0.037 0.000 0.993 119 Q CA 2.983 58.672 55.803 -0.190 0.000 0.850 119 Q CB -0.168 28.162 28.738 -0.680 0.000 0.916 119 Q HN -0.546 7.625 8.270 -0.155 0.006 0.417 120 M N -1.332 118.146 119.600 -0.202 0.000 2.080 120 M HA -0.390 4.006 4.480 -0.140 0.000 0.260 120 M C 2.669 179.059 176.300 0.151 0.000 1.068 120 M CA 3.704 58.949 55.300 -0.091 0.000 1.109 120 M CB -0.212 32.299 32.600 -0.148 0.000 1.342 120 M HN -0.677 7.441 8.290 -0.287 0.000 0.405 121 Q N -0.397 119.458 119.800 0.093 0.000 2.173 121 Q HA -0.374 4.021 4.340 0.092 0.000 0.208 121 Q C 2.872 178.979 176.000 0.179 0.000 0.989 121 Q CA 3.046 58.916 55.803 0.110 0.000 0.872 121 Q CB -0.562 28.219 28.738 0.072 0.000 0.909 121 Q HN 0.160 8.392 8.270 0.030 0.056 0.420 122 Q N -0.759 119.191 119.800 0.249 0.000 2.077 122 Q HA -0.338 4.207 4.340 0.340 0.000 0.206 122 Q C 2.152 178.322 176.000 0.283 0.000 0.989 122 Q CA 3.278 59.260 55.803 0.298 0.000 0.853 122 Q CB -0.053 28.805 28.738 0.200 0.000 0.907 122 Q HN -0.076 8.224 8.270 0.220 0.102 0.418 123 Y N -5.231 115.169 120.300 0.168 0.000 2.632 123 Y HA -0.119 4.518 4.550 0.144 0.000 0.301 123 Y C 0.613 176.557 175.900 0.075 0.000 1.172 123 Y CA 0.892 59.075 58.100 0.139 0.000 1.328 123 Y CB -1.044 37.515 38.460 0.166 0.000 1.016 123 Y HN -0.529 8.145 8.280 0.797 0.084 0.529 124 T N -2.089 112.574 114.554 0.182 0.000 3.054 124 T HA -0.113 4.262 4.350 0.043 0.000 0.259 124 T C -0.316 174.360 174.700 -0.040 0.000 1.092 124 T CA 2.792 64.923 62.100 0.052 0.000 1.121 124 T CB 1.077 69.963 68.868 0.032 0.000 0.912 124 T HN -0.095 8.048 8.240 0.212 0.225 0.489 125 Q N -1.412 118.358 119.800 -0.050 0.000 2.143 125 Q HA 0.108 4.350 4.340 -0.165 0.000 0.242 125 Q C 1.748 177.595 176.000 -0.254 0.000 0.790 125 Q CA 0.305 55.998 55.803 -0.182 0.000 0.954 125 Q CB 1.538 30.124 28.738 -0.254 0.000 1.155 125 Q HN -0.463 7.713 8.270 0.026 0.109 0.474 126 Y N 3.027 123.289 120.300 -0.063 0.000 3.007 126 Y HA -0.191 4.323 4.550 -0.060 0.000 0.390 126 Y C 0.411 176.262 175.900 -0.082 0.000 1.065 126 Y CA 0.931 58.980 58.100 -0.085 0.000 1.845 126 Y CB -2.259 36.119 38.460 -0.136 0.000 1.828 126 Y HN -0.127 8.205 8.280 0.087 0.000 0.458 127 G N 1.316 110.131 108.800 0.024 0.000 2.611 127 G HA2 -0.439 3.667 3.960 -0.004 0.000 0.301 127 G HA3 -0.439 3.539 3.960 0.030 0.000 0.301 127 G C 0.031 174.941 174.900 0.016 0.000 1.233 127 G CA -0.511 44.599 45.100 0.017 0.000 0.993 127 G HN -0.490 7.692 8.290 -0.038 0.086 0.553 128 G N 0.802 109.611 108.800 0.014 0.000 2.608 128 G HA2 -0.115 3.851 3.960 0.011 0.000 0.283 128 G HA3 -0.115 3.848 3.960 0.006 0.000 0.283 128 G C -1.241 173.662 174.900 0.005 0.000 0.648 128 G CA 0.962 46.067 45.100 0.009 0.000 2.117 128 G HN 0.068 8.369 8.290 0.018 0.000 0.545 129 V N 1.737 121.662 119.914 0.019 0.000 2.863 129 V HA -0.015 4.129 4.120 0.040 0.000 0.259 129 V C -2.167 173.980 176.094 0.087 0.000 1.683 129 V CA -0.334 61.993 62.300 0.046 0.000 0.892 129 V CB 3.028 34.854 31.823 0.005 0.000 1.222 129 V HN -0.260 7.904 8.190 0.023 0.039 0.469 130 R N 8.515 129.052 120.500 0.061 0.000 2.442 130 R HA 0.186 4.550 4.340 0.040 0.000 0.291 130 R C -1.755 174.556 176.300 0.019 0.000 1.069 130 R CA -1.363 54.755 56.100 0.031 0.000 1.022 130 R CB 0.396 30.689 30.300 -0.012 0.000 0.976 130 R HN 0.217 8.513 8.270 0.043 0.000 0.443 131 P HA -0.057 4.459 4.420 0.161 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 0.054 0.000 0.785 131 P CB 0.519 32.265 31.700 0.076 0.000 0.923 132 Y N -0.224 120.009 120.300 -0.111 0.000 2.637 132 Y HA -0.126 4.490 4.550 -0.135 -0.147 0.350 132 Y C 1.669 177.531 175.900 -0.062 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 -0.203 0.000 1.163 132 Y HN 0.294 8.715 8.280 0.235 0.000 0.527 133 G N 5.327 114.153 108.800 0.042 0.000 3.102 133 G HA2 -0.061 3.931 3.960 0.053 0.000 0.264 133 G HA3 -0.061 3.915 3.960 0.026 0.000 0.264 133 G C -2.614 172.314 174.900 0.047 0.000 0.788 133 G CA 0.386 45.512 45.100 0.044 0.000 2.029 133 G HN 0.567 9.098 8.290 -0.019 -0.252 0.608 134 V N 1.332 121.281 119.914 0.059 0.000 3.147 134 V HA 0.691 4.963 4.120 0.016 -0.141 0.299 134 V C -3.114 172.988 176.094 0.013 0.000 1.302 134 V CA -1.501 60.818 62.300 0.031 0.000 1.015 134 V CB 3.832 35.676 31.823 0.035 0.000 1.086 134 V HN -0.117 8.075 8.190 0.075 0.043 0.437 135 S N 4.166 119.857 115.700 -0.014 0.000 2.541 135 S HA 0.872 5.464 4.470 -0.013 -0.130 0.280 135 S C -1.953 172.600 174.600 -0.077 0.000 1.112 135 S CA -1.047 57.138 58.200 -0.026 0.000 0.925 135 S CB 2.830 66.021 63.200 -0.014 0.000 1.067 135 S HN -0.018 8.279 8.310 -0.021 0.000 0.479 136 L N -2.047 119.106 121.223 -0.117 0.000 2.469 136 L HA 0.851 5.148 4.340 -0.209 -0.082 0.256 136 L C -2.104 174.584 176.870 -0.304 0.000 1.006 136 L CA -1.038 53.653 54.840 -0.249 0.000 0.832 136 L CB 3.514 45.349 42.059 -0.373 0.000 1.421 136 L HN 0.838 9.027 8.230 -0.069 0.000 0.410 137 I N -6.701 113.647 120.570 -0.370 0.000 2.466 137 I HA 0.629 4.826 4.170 -0.112 -0.094 0.289 137 I C -1.847 174.068 176.117 -0.337 0.000 1.026 137 I CA -1.656 59.498 61.300 -0.242 0.000 1.078 137 I CB 2.915 40.840 38.000 -0.124 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 0.107 0.000 2.399 138 F HA 0.736 5.470 4.527 0.078 -0.160 0.334 138 F C -0.806 175.098 175.800 0.173 0.000 1.097 138 F CA -1.941 56.131 58.000 0.120 0.000 1.076 138 F CB 2.700 41.769 39.000 0.114 0.000 1.162 138 F HN -0.128 8.345 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 0.520 109.473 108.800 0.255 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 0.188 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 40.223 38.000 -0.015 0.000 1.315 141 I HN -0.222 8.019 8.210 0.052 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 0.006 0.000 0.243 142 D C -0.513 175.785 176.300 -0.004 0.000 1.159 142 D CA -1.841 52.171 54.000 0.021 0.000 1.084 142 D CB 1.514 42.329 40.800 0.025 0.000 1.227 142 D HN 0.251 8.651 8.370 0.050 0.000 0.636 143 Q N -0.462 119.324 119.800 -0.023 0.000 2.135 143 Q HA -0.240 4.079 4.340 -0.034 0.000 0.204 143 Q C 1.848 177.840 176.000 -0.013 0.000 0.981 143 Q CA 2.248 58.034 55.803 -0.028 0.000 0.856 143 Q CB -0.113 28.601 28.738 -0.040 0.000 0.902 143 Q HN -0.080 8.172 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 0.006 0.000 1.380 144 I CB 0.760 38.773 38.000 0.022 0.000 1.067 144 I HN -0.094 8.233 8.210 0.004 -0.114 0.413 145 G N -4.020 104.786 108.800 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 -3.396 171.503 174.900 -0.001 0.000 1.312 145 G CA -0.218 44.881 45.100 -0.001 0.000 0.922 145 G HN -0.586 7.990 8.290 0.019 -0.275 0.480 146 P HA -0.011 4.377 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 4.764 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 0.262 0.000 1.223 147 R HN 0.740 8.933 8.270 0.045 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 -2.378 174.415 176.870 -0.128 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 4.574 124.641 119.950 0.196 0.000 2.629 149 F HA 1.028 5.903 4.527 0.289 -0.175 0.316 149 F C -1.368 174.568 175.800 0.226 0.000 1.081 149 F CA -1.773 56.374 58.000 0.246 0.000 0.954 149 F CB 4.812 43.949 39.000 0.229 0.000 1.337 149 F HN 0.888 9.483 8.300 0.492 0.000 0.474 150 D N -1.207 119.464 120.400 0.451 0.000 2.523 150 D HA 0.494 5.350 4.640 0.163 -0.118 0.236 150 D C -1.880 174.585 176.300 0.274 0.000 1.094 150 D CA -1.726 52.422 54.000 0.247 0.000 0.942 150 D CB 3.846 44.694 40.800 0.081 0.000 1.447 150 D HN 0.570 9.263 8.370 0.538 0.000 0.479 151 C N -0.521 118.878 119.300 0.165 0.000 2.811 151 C HA 0.788 5.589 4.460 0.162 -0.245 0.352 151 C C -2.057 172.979 174.990 0.076 0.000 1.098 151 C CA -1.675 57.434 59.018 0.152 0.000 1.295 151 C CB 3.524 31.396 27.740 0.221 0.000 1.758 151 C HN 0.526 8.805 8.230 0.082 0.000 0.488 152 D N 6.604 127.046 120.400 0.070 0.000 2.506 152 D HA 0.734 5.394 4.640 0.033 0.000 0.254 152 D C -1.120 175.204 176.300 0.040 0.000 1.089 152 D CA -3.117 50.911 54.000 0.046 0.000 1.050 152 D CB -0.787 40.043 40.800 0.051 0.000 1.221 152 D HN -0.191 8.230 8.370 0.085 0.000 0.589 153 P HA -0.142 4.409 4.420 0.062 -0.094 0.218 153 P C -0.723 176.607 177.300 0.050 0.000 1.146 153 P CA 2.121 65.252 63.100 0.053 0.000 0.813 153 P CB 0.096 31.829 31.700 0.055 0.000 0.778 154 A N -7.577 115.267 122.820 0.039 0.000 2.206 154 A HA -0.082 4.256 4.320 0.029 0.000 0.211 154 A C 0.755 178.362 177.584 0.038 0.000 1.158 154 A CA 0.116 52.172 52.037 0.032 0.000 0.761 154 A CB -0.265 18.749 19.000 0.022 0.000 0.801 154 A HN -0.219 8.154 8.150 0.039 -0.200 0.473 155 G N -2.000 106.823 108.800 0.038 0.000 2.159 155 G HA2 -0.398 3.576 3.960 0.023 0.000 0.256 155 G HA3 -0.398 3.580 3.960 0.031 0.000 0.256 155 G C -0.072 174.857 174.900 0.047 0.000 0.977 155 G CA 0.289 45.409 45.100 0.034 0.000 0.652 155 G HN 0.188 8.381 8.290 0.039 0.119 0.531 156 T N 2.432 117.020 114.554 0.056 0.000 2.884 156 T HA -0.062 4.323 4.350 0.058 0.000 0.298 156 T C -1.410 173.350 174.700 0.100 0.000 0.998 156 T CA 1.290 63.431 62.100 0.067 0.000 1.124 156 T CB 0.877 69.781 68.868 0.061 0.000 0.931 156 T HN -0.072 8.443 8.240 0.053 -0.243 0.531 157 I N 4.583 125.219 120.570 0.111 0.000 2.582 157 I HA 0.678 5.175 4.170 0.213 -0.198 0.292 157 I C -2.369 173.861 176.117 0.188 0.000 1.066 157 I CA -2.363 59.041 61.300 0.174 0.000 1.053 157 I CB 3.390 41.481 38.000 0.151 0.000 1.241 157 I HN 0.198 8.460 8.210 0.088 0.000 0.421 158 N N 7.584 126.437 118.700 0.256 0.000 2.494 158 N HA 0.273 5.058 4.740 0.076 0.000 0.270 158 N C -2.800 172.767 175.510 0.096 0.000 1.285 158 N CA -0.586 52.524 53.050 0.100 0.000 0.812 158 N CB 3.965 42.370 38.487 -0.136 0.000 1.557 158 N HN 0.011 8.699 8.380 0.345 -0.102 0.487 159 E N 0.166 120.218 120.200 -0.246 0.000 2.179 159 E HA 0.584 4.741 4.350 -0.631 -0.185 0.275 159 E C -1.271 175.088 176.600 -0.403 0.000 0.945 159 E CA -1.287 54.765 56.400 -0.580 0.000 0.792 159 E CB 2.388 31.503 29.700 -0.974 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 4.580 4.550 -0.178 0.000 0.337 160 Y C -0.641 175.131 175.900 -0.214 0.000 1.051 160 Y CA -0.522 57.452 58.100 -0.210 0.000 1.121 160 Y CB 1.986 40.345 38.460 -0.168 0.000 1.299 160 Y HN 0.243 8.488 8.280 -0.059 0.000 0.498 161 K N -0.681 119.706 120.400 -0.022 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 -0.128 0.000 0.973 161 K CB 0.827 33.229 32.500 -0.162 0.000 0.766 161 K HN 0.359 8.623 8.250 0.025 0.000 0.466 162 A N -5.484 117.190 122.820 -0.243 0.000 2.597 162 A HA 0.494 4.808 4.320 -0.208 -0.119 0.292 162 A C -1.942 175.498 177.584 -0.240 0.000 1.057 162 A CA -0.426 51.433 52.037 -0.297 0.000 0.674 162 A CB 2.346 20.995 19.000 -0.585 0.000 1.278 162 A HN -0.719 7.372 8.150 -0.079 0.013 0.416 163 T N -0.793 113.578 114.554 -0.306 0.000 2.717 163 T HA 0.161 4.320 4.350 -0.319 0.000 0.315 163 T C -2.698 171.815 174.700 -0.312 0.000 1.746 163 T CA -0.342 61.495 62.100 -0.439 0.000 1.001 163 T CB 1.353 69.522 68.868 -1.164 0.000 1.673 163 T HN 0.723 8.818 8.240 -0.242 0.000 0.498 164 A N 0.599 123.254 122.820 -0.275 0.000 2.504 164 A HA 0.572 4.856 4.320 -0.178 -0.070 0.285 164 A C -3.102 174.382 177.584 -0.167 0.000 1.261 164 A CA -1.493 50.433 52.037 -0.184 0.000 0.741 164 A CB 3.162 22.087 19.000 -0.126 0.000 1.327 164 A HN 0.202 8.167 8.150 -0.309 0.000 0.441 165 I N -2.339 118.160 120.570 -0.118 0.000 2.947 165 I HA 0.196 4.318 4.170 -0.080 0.000 0.301 165 I C -1.610 174.466 176.117 -0.067 0.000 1.453 165 I CA -1.180 60.065 61.300 -0.092 0.000 0.984 165 I CB 4.230 42.168 38.000 -0.103 0.000 1.333 165 I HN 0.657 8.716 8.210 -0.108 0.086 0.475 166 G N 3.714 112.486 108.800 -0.048 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 -0.042 -0.266 0.209 166 G C -0.114 174.772 174.900 -0.023 0.000 1.176 166 G CA 0.290 45.369 45.100 -0.036 0.000 1.074 166 G HN -0.311 7.954 8.290 -0.041 0.000 0.577 167 S N 3.769 119.457 115.700 -0.020 0.000 2.336 167 S HA -0.005 4.703 4.470 -0.006 -0.241 0.214 167 S C 2.502 177.098 174.600 -0.008 0.000 1.032 167 S CA 2.186 60.380 58.200 -0.011 0.000 1.001 167 S CB 0.155 63.349 63.200 -0.010 0.000 0.953 167 S HN -0.124 8.061 8.310 -0.024 0.111 0.430 168 G N 0.007 108.800 108.800 -0.012 0.000 3.375 168 G HA2 -0.010 3.952 3.960 0.003 0.000 0.247 168 G HA3 -0.010 3.947 3.960 -0.005 0.000 0.247 168 G C -0.315 174.580 174.900 -0.009 0.000 1.343 168 G CA -0.465 44.632 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 2.373 122.765 120.400 -0.013 0.000 1.978 169 K HA -0.351 3.947 4.320 -0.037 0.000 0.214 169 K C 0.878 177.477 176.600 -0.002 0.000 1.049 169 K CA 3.682 59.957 56.287 -0.020 0.000 0.939 169 K CB 0.005 32.492 32.500 -0.021 0.000 0.721 169 K HN -0.291 7.848 8.250 -0.012 0.104 0.441 170 D N -0.937 119.469 120.400 0.011 0.000 2.149 170 D HA -0.389 4.267 4.640 0.026 0.000 0.194 170 D C 1.846 178.167 176.300 0.036 0.000 1.001 170 D CA 3.556 57.571 54.000 0.024 0.000 0.849 170 D CB -0.782 40.034 40.800 0.025 0.000 0.939 170 D HN 0.297 8.672 8.370 0.009 0.000 0.449 171 A N -0.041 122.801 122.820 0.037 0.000 1.835 171 A HA -0.265 4.092 4.320 0.062 0.000 0.215 171 A C 1.713 179.351 177.584 0.089 0.000 1.199 171 A CA 2.890 54.962 52.037 0.059 0.000 0.615 171 A CB -0.826 18.206 19.000 0.052 0.000 0.838 171 A HN -0.143 8.009 8.150 0.026 0.014 0.444 172 V N -0.342 119.607 119.914 0.059 0.000 2.392 172 V HA -0.385 3.793 4.120 0.098 0.000 0.249 172 V C 1.692 177.824 176.094 0.065 0.000 1.059 172 V CA 3.387 65.716 62.300 0.049 0.000 1.051 172 V CB -0.074 31.729 31.823 -0.033 0.000 0.658 172 V HN -0.465 7.744 8.190 0.030 0.000 0.455 173 V N -0.708 119.228 119.914 0.036 0.000 2.407 173 V HA -0.508 3.616 4.120 0.006 0.000 0.248 173 V C 1.086 177.231 176.094 0.085 0.000 1.055 173 V CA 4.625 66.945 62.300 0.033 0.000 1.049 173 V CB -0.045 31.785 31.823 0.010 0.000 0.662 173 V HN 0.589 8.791 8.190 0.021 0.000 0.455 174 S N 0.694 116.454 115.700 0.100 0.000 2.348 174 S HA -0.344 4.176 4.470 0.083 0.000 0.221 174 S C 1.756 176.456 174.600 0.167 0.000 1.033 174 S CA 3.894 62.157 58.200 0.105 0.000 1.010 174 S CB -0.446 62.801 63.200 0.079 0.000 0.891 174 S HN -0.655 7.617 8.310 0.087 0.089 0.442 175 F N 2.688 122.654 119.950 0.026 0.000 2.045 175 F HA -0.412 4.135 4.527 0.034 0.000 0.297 175 F C 1.217 177.052 175.800 0.058 0.000 1.114 175 F CA 3.092 61.113 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 0.283 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 0.480 0.000 0.208 176 L C 2.250 179.286 176.870 0.276 0.000 1.073 176 L CA 2.598 57.650 54.840 0.353 0.000 0.745 176 L CB -1.833 40.317 42.059 0.153 0.000 0.894 176 L HN -0.105 8.328 8.230 0.339 0.000 0.432 177 E N -0.478 119.827 120.200 0.176 0.000 2.233 177 E HA -0.352 4.064 4.350 0.110 0.000 0.199 177 E C 1.842 178.518 176.600 0.127 0.000 1.004 177 E CA 2.830 59.305 56.400 0.125 0.000 0.819 177 E CB -0.194 29.560 29.700 0.089 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 0.071 0.000 1.020 178 R CB 1.098 31.392 30.300 -0.011 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 4.386 4.350 0.084 0.000 0.189 179 E C -0.322 176.421 176.600 0.238 0.000 1.054 179 E CA -0.106 56.394 56.400 0.165 0.000 0.874 179 E CB 0.719 30.514 29.700 0.159 0.000 1.011 179 E HN 0.032 8.392 8.360 0.177 0.106 0.474 180 Y N 2.167 122.555 120.300 0.148 0.000 2.465 180 Y HA -0.210 4.416 4.550 0.127 0.000 0.331 180 Y C -0.788 175.163 175.900 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 0.097 0.000 1.213 180 Y HN -0.234 8.124 8.280 0.344 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 -0.810 0.000 1.048 181 K CA -1.588 54.380 56.287 -0.533 0.000 0.898 181 K CB 0.919 33.266 32.500 -0.255 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 -0.069 0.000 1.055 182 E CA 2.768 59.071 56.400 -0.162 0.000 0.923 182 E CB 0.163 29.858 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 3.849 125.070 121.223 -0.003 0.000 2.477 184 L HA 0.078 4.399 4.340 -0.032 0.000 0.272 184 L C -2.057 174.824 176.870 0.018 0.000 1.157 184 L CA -1.949 52.881 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 7.334 8.230 -0.057 0.078 0.473 185 P HA 0.070 4.476 4.420 -0.023 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 -0.320 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 0.133 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 -0.093 0.000 0.447 188 E N -1.858 118.351 120.200 0.014 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 -0.003 0.000 0.756 188 E HN -0.440 7.897 8.360 -0.030 0.005 0.459 189 A N 1.695 124.464 122.820 -0.085 0.000 1.883 189 A HA -0.258 4.051 4.320 -0.018 0.000 0.217 189 A C 1.672 179.207 177.584 -0.081 0.000 1.186 189 A CA 3.393 55.386 52.037 -0.073 0.000 0.624 189 A CB -0.487 18.433 19.000 -0.132 0.000 0.822 189 A HN 0.256 8.145 8.150 -0.136 0.179 0.444 190 V N -2.927 116.888 119.914 -0.164 0.000 2.490 190 V HA -0.475 3.502 4.120 -0.238 0.000 0.250 190 V C 1.106 177.115 176.094 -0.141 0.000 1.061 190 V CA 3.792 65.939 62.300 -0.256 0.000 1.064 190 V CB -0.138 31.344 31.823 -0.569 0.000 0.670 190 V HN 0.592 8.661 8.190 -0.202 0.000 0.461 191 T N 3.552 118.111 114.554 0.009 0.000 2.668 191 T HA -0.320 4.108 4.350 0.131 0.000 0.262 191 T C 1.728 176.429 174.700 0.003 0.000 1.045 191 T CA 4.894 67.043 62.100 0.083 0.000 1.152 191 T CB -0.314 68.633 68.868 0.132 0.000 0.864 191 T HN -0.614 7.540 8.240 0.033 0.106 0.419 192 L N 1.391 122.613 121.223 -0.001 0.000 2.051 192 L HA -0.409 3.944 4.340 0.022 0.000 0.214 192 L C 1.759 178.531 176.870 -0.162 0.000 1.076 192 L CA 3.278 58.104 54.840 -0.023 0.000 0.758 192 L CB -0.674 41.403 42.059 0.029 0.000 0.890 192 L HN 0.444 8.682 8.230 0.013 0.000 0.433 193 G N -1.561 107.165 108.800 -0.123 0.000 2.480 193 G HA2 -0.428 3.419 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 -0.075 -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 -0.057 0.000 1.069 194 I HN 0.202 8.331 8.210 -0.135 0.000 0.424 195 K N 0.071 120.383 120.400 -0.146 0.000 2.001 195 K HA -0.371 3.939 4.320 -0.018 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 -0.868 0.000 1.883 196 A HA -0.240 2.921 4.320 -1.932 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 17.691 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 -1.332 119.735 121.223 -0.259 0.000 1.989 197 L HA -0.376 3.895 4.340 -0.115 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 -0.134 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 2.436 179.052 176.600 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 0.009 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 1.255 175.912 174.600 0.096 0.000 1.077 199 S CA 3.392 61.676 58.200 0.140 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 0.075 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 56.129 54.840 0.004 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 0.020 0.057 0.435 203 E N 0.020 120.230 120.200 0.018 0.000 2.170 203 E HA -0.108 4.254 4.350 0.020 0.000 0.191 203 E C 1.059 177.666 176.600 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 -0.404 108.402 108.800 0.010 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 -0.781 174.125 174.900 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 -0.532 176.339 176.870 0.001 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 0.007 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 0.008 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 0.001 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 2.282 122.448 120.200 -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 -0.150 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 0.921 121.407 120.570 -0.140 0.000 2.785 215 I HA 0.348 4.387 4.170 -0.218 0.000 0.302 215 I C -2.556 173.449 176.117 -0.187 0.000 1.069 215 I CA -1.849 59.208 61.300 -0.405 0.000 1.045 215 I CB 3.838 41.122 38.000 -1.194 0.000 1.236 215 I HN 0.734 8.897 8.210 -0.079 0.000 0.429 216 T N 4.657 119.150 114.554 -0.102 0.000 2.916 216 T HA 0.223 4.511 4.350 -0.103 0.000 0.292 216 T C -1.346 173.324 174.700 -0.049 0.000 1.055 216 T CA -2.070 60.009 62.100 -0.034 0.000 1.009 216 T CB 2.168 71.100 68.868 0.106 0.000 1.118 216 T HN 0.248 8.419 8.240 -0.115 0.000 0.497 217 V N 4.928 124.821 119.914 -0.034 0.000 2.694 217 V HA -0.377 3.743 4.120 0.000 0.000 0.306 217 V C 0.654 176.764 176.094 0.027 0.000 1.054 217 V CA 1.442 63.740 62.300 -0.004 0.000 1.161 217 V CB 0.166 31.986 31.823 -0.005 0.000 0.916 217 V HN 0.398 8.449 8.190 -0.047 0.110 0.490 218 G N 6.293 115.126 108.800 0.055 0.000 2.254 218 G HA2 -0.227 3.775 3.960 0.070 0.000 0.225 218 G HA3 -0.227 3.762 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 -0.248 44.892 45.100 0.066 0.000 0.622 218 G HN 0.557 8.891 8.290 0.073 0.000 0.507 219 N N -0.895 117.841 118.700 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 -0.196 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 60.537 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 0.130 0.000 1.176 222 R HN 0.335 8.839 8.270 0.389 0.000 0.447 223 I N 6.633 127.318 120.570 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 0.692 177.052 176.300 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 -0.203 120.071 120.200 0.124 0.000 2.085 228 E HA -0.319 4.131 4.350 0.167 0.000 0.194 228 E C 2.384 179.247 176.600 0.437 0.000 0.994 228 E CA 2.571 59.101 56.400 0.216 0.000 0.801 228 E CB 0.035 29.802 29.700 0.112 0.000 0.743 228 E HN -0.763 7.798 8.360 0.093 -0.145 0.453 229 V N 0.128 120.254 119.914 0.353 0.000 2.358 229 V HA -0.452 3.911 4.120 0.405 0.000 0.246 229 V C 1.076 177.343 176.094 0.288 0.000 1.047 229 V CA 3.846 66.341 62.300 0.325 0.000 1.035 229 V CB 0.118 32.035 31.823 0.156 0.000 0.658 229 V HN 0.080 8.426 8.190 0.260 0.000 0.452 230 K N -1.334 119.175 120.400 0.183 0.000 2.280 230 K HA -0.330 4.053 4.320 0.105 0.000 0.202 230 K C 1.713 178.377 176.600 0.106 0.000 1.047 230 K CA 2.752 59.110 56.287 0.119 0.000 0.942 230 K CB -0.361 32.182 32.500 0.073 0.000 0.739 230 K HN -0.326 8.020 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