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_A 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 3.963 3.960 0.006 0.000 0.244 -3 G C 0.000 174.904 174.900 0.007 0.000 0.946 -3 G CA 0.000 45.103 45.100 0.006 0.000 0.502 -2 A N -0.206 122.619 122.820 0.008 0.000 2.594 -2 A HA 0.203 4.530 4.320 0.011 0.000 0.295 -2 A C 0.258 177.848 177.584 0.009 0.000 1.071 -2 A CA -0.514 51.528 52.037 0.009 0.000 0.685 -2 A CB 1.551 20.555 19.000 0.006 0.000 1.285 -2 A HN -0.116 8.039 8.150 0.007 0.000 0.405 -1 M N -0.389 119.218 119.600 0.011 0.000 2.159 -1 M HA -0.125 4.362 4.480 0.012 0.000 0.263 -1 M C 1.066 177.371 176.300 0.007 0.000 1.063 -1 M CA 0.333 55.640 55.300 0.011 0.000 1.110 -1 M CB -0.195 32.413 32.600 0.013 0.000 1.374 -1 M HN 0.361 8.658 8.290 0.012 0.000 0.411 0 G N -1.972 106.832 108.800 0.005 0.000 2.132 0 G HA2 -0.154 3.808 3.960 0.002 0.000 0.234 0 G HA3 -0.154 3.808 3.960 0.003 0.000 0.234 0 G C -0.493 174.408 174.900 0.002 0.000 0.989 0 G CA -0.045 45.057 45.100 0.003 0.000 0.676 0 G HN -0.030 8.264 8.290 0.006 0.000 0.522 1 M N 0.813 120.414 119.600 0.002 0.000 2.861 1 M HA -0.238 4.243 4.480 0.001 0.000 0.347 1 M C 0.456 176.755 176.300 -0.002 0.000 1.791 1 M CA -0.525 54.775 55.300 0.000 0.000 1.332 1 M CB -2.559 30.040 32.600 -0.000 0.000 2.040 1 M HN -0.145 8.111 8.290 0.003 0.036 0.463 2 Q N 5.219 125.018 119.800 -0.002 0.000 2.016 2 Q HA -0.181 4.157 4.340 -0.003 0.000 0.200 2 Q C -0.246 175.751 176.000 -0.004 0.000 0.978 2 Q CA 1.714 57.515 55.803 -0.003 0.000 0.833 2 Q CB 0.629 29.366 28.738 -0.002 0.000 0.895 2 Q HN 0.261 8.530 8.270 -0.001 0.000 0.427 3 Q N -1.658 118.139 119.800 -0.004 0.000 2.429 3 Q HA 0.085 4.420 4.340 -0.008 0.000 0.247 3 Q C -1.914 174.083 176.000 -0.005 0.000 0.915 3 Q CA 0.173 55.972 55.803 -0.006 0.000 0.971 3 Q CB 0.832 29.567 28.738 -0.005 0.000 1.468 3 Q HN -0.229 8.039 8.270 -0.003 0.000 0.439 4 G N 2.338 111.134 108.800 -0.007 0.000 2.704 4 G HA2 0.119 4.076 3.960 -0.004 0.000 0.293 4 G HA3 0.119 4.076 3.960 -0.005 0.000 0.293 4 G C -0.498 174.397 174.900 -0.008 0.000 1.421 4 G CA 0.267 45.364 45.100 -0.006 0.000 0.870 4 G HN -0.054 8.230 8.290 -0.009 0.000 0.492 5 Q N 2.727 122.522 119.800 -0.007 0.000 2.923 5 Q HA 0.207 4.540 4.340 -0.011 0.000 0.363 5 Q C -0.178 175.817 176.000 -0.008 0.000 1.159 5 Q CA -0.632 55.166 55.803 -0.008 0.000 1.073 5 Q CB -0.811 27.924 28.738 -0.006 0.000 1.364 5 Q HN 0.433 8.700 8.270 -0.005 0.000 0.466 6 M N -0.241 119.352 119.600 -0.010 0.000 2.117 6 M HA -0.234 4.243 4.480 -0.005 0.000 0.262 6 M C 0.221 176.513 176.300 -0.012 0.000 1.065 6 M CA 1.415 56.709 55.300 -0.009 0.000 1.114 6 M CB 0.597 33.192 32.600 -0.009 0.000 1.361 6 M HN -0.165 8.064 8.290 -0.012 0.054 0.408 7 A N -1.751 121.057 122.820 -0.020 0.000 2.317 7 A HA 0.235 4.544 4.320 -0.019 0.000 0.327 7 A C -1.078 176.497 177.584 -0.015 0.000 1.178 7 A CA -0.519 51.504 52.037 -0.023 0.000 0.817 7 A CB 1.190 20.166 19.000 -0.039 0.000 1.189 7 A HN -0.395 7.741 8.150 -0.023 0.000 0.489 8 G N -0.877 107.916 108.800 -0.011 0.000 2.349 8 G HA2 -0.037 3.919 3.960 -0.006 0.000 0.294 8 G HA3 -0.037 3.920 3.960 -0.006 0.000 0.294 8 G C -0.896 174.002 174.900 -0.004 0.000 1.380 8 G CA 0.156 45.252 45.100 -0.006 0.000 0.811 8 G HN 0.011 8.294 8.290 -0.010 0.000 0.519 9 G N -0.992 107.806 108.800 -0.002 0.000 2.782 9 G HA2 -0.205 3.755 3.960 0.000 0.000 0.228 9 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.228 9 G C -1.729 173.171 174.900 -0.000 0.000 1.372 9 G CA -0.580 44.519 45.100 -0.000 0.000 0.862 9 G HN -0.061 8.228 8.290 -0.002 0.000 0.547 10 R N -2.807 117.694 120.500 0.001 0.000 2.651 10 R HA 0.319 4.658 4.340 -0.002 0.000 0.278 10 R C -1.199 175.103 176.300 0.004 0.000 1.010 10 R CA -0.507 55.594 56.100 0.001 0.000 0.896 10 R CB 0.862 31.164 30.300 0.002 0.000 1.211 10 R HN 0.065 8.336 8.270 0.002 0.000 0.456 11 A N 1.741 124.563 122.820 0.003 0.000 2.400 11 A HA 0.036 4.364 4.320 0.013 0.000 0.202 11 A C -1.103 176.485 177.584 0.007 0.000 2.711 11 A CA 0.092 52.135 52.037 0.010 0.000 1.407 11 A CB 0.389 19.397 19.000 0.014 0.000 0.690 11 A HN 0.550 8.698 8.150 -0.002 0.000 0.481 12 I N -4.103 116.462 120.570 -0.009 0.000 3.516 12 I HA 0.342 4.497 4.170 -0.025 0.000 0.307 12 I C -0.572 175.508 176.117 -0.061 0.000 1.157 12 I CA -0.931 60.351 61.300 -0.030 0.000 0.983 12 I CB 1.802 39.787 38.000 -0.026 0.000 1.351 12 I HN -0.749 7.454 8.210 -0.011 0.000 0.484 13 T N -0.184 114.303 114.554 -0.112 0.000 4.595 13 T HA -0.297 3.911 4.350 -0.235 0.000 0.311 13 T C -1.365 173.232 174.700 -0.171 0.000 1.052 13 T CA 0.778 62.778 62.100 -0.166 0.000 2.205 13 T CB -0.520 68.277 68.868 -0.118 0.000 1.872 13 T HN 0.112 8.281 8.240 -0.119 0.000 0.961 14 V N 0.128 119.952 119.914 -0.150 0.000 2.357 14 V HA 0.140 4.234 4.120 -0.044 0.000 0.284 14 V C -1.132 174.899 176.094 -0.104 0.000 1.018 14 V CA -1.549 60.705 62.300 -0.077 0.000 0.841 14 V CB 1.155 32.978 31.823 0.000 0.000 0.991 14 V HN -0.634 7.445 8.190 -0.139 0.027 0.437 15 F N 8.961 128.899 119.950 -0.020 0.000 2.429 15 F HA 0.049 4.648 4.527 -0.079 -0.119 0.348 15 F C 0.421 176.217 175.800 -0.006 0.000 1.109 15 F CA 0.079 58.053 58.000 -0.043 0.000 1.232 15 F CB 1.001 39.972 39.000 -0.050 0.000 1.157 15 F HN 0.272 8.646 8.300 0.123 0.000 0.564 16 S N 3.980 119.807 115.700 0.211 0.000 2.632 16 S HA 0.263 4.878 4.470 0.241 0.000 0.267 16 S C -0.376 174.313 174.600 0.149 0.000 1.276 16 S CA -1.232 57.093 58.200 0.209 0.000 0.998 16 S CB -0.248 63.096 63.200 0.240 0.000 0.953 16 S HN 0.299 8.702 8.310 0.154 0.000 0.547 17 P HA -0.112 4.345 4.420 0.062 0.000 0.226 17 P C -1.448 175.879 177.300 0.046 0.000 1.146 17 P CA 1.895 65.043 63.100 0.080 0.000 0.773 17 P CB -0.271 31.478 31.700 0.081 0.000 0.772 18 D N -5.842 114.588 120.400 0.051 0.000 2.395 18 D HA -0.047 4.594 4.640 0.001 0.000 0.213 18 D C 0.601 176.878 176.300 -0.037 0.000 1.110 18 D CA -0.586 53.420 54.000 0.010 0.000 0.835 18 D CB -0.726 40.094 40.800 0.033 0.000 0.965 18 D HN -0.474 7.867 8.370 0.082 0.078 0.505 19 G N 1.564 110.341 108.800 -0.039 0.000 2.248 19 G HA2 -0.494 3.364 3.960 -0.170 0.000 0.252 19 G HA3 -0.494 3.374 3.960 -0.154 0.000 0.252 19 G C -1.442 173.471 174.900 0.022 0.000 1.085 19 G CA 0.296 45.343 45.100 -0.088 0.000 0.845 19 G HN 0.139 8.263 8.290 0.002 0.168 0.494 20 R N -1.982 118.531 120.500 0.022 0.000 2.673 20 R HA 0.292 4.612 4.340 -0.033 0.000 0.281 20 R C -1.371 174.756 176.300 -0.288 0.000 0.991 20 R CA -1.691 54.305 56.100 -0.173 0.000 0.896 20 R CB 3.287 33.282 30.300 -0.507 0.000 1.201 20 R HN -0.140 8.134 8.270 0.007 0.000 0.457 21 L N 4.361 125.409 121.223 -0.291 0.000 2.358 21 L HA 0.283 4.406 4.340 -0.360 0.000 0.274 21 L C 0.311 176.960 176.870 -0.369 0.000 1.136 21 L CA -2.448 52.184 54.840 -0.346 0.000 0.970 21 L CB -2.553 39.318 42.059 -0.313 0.000 1.314 21 L HN 0.827 8.935 8.230 -0.204 0.000 0.427 22 F N 4.835 124.621 119.950 -0.274 0.000 2.154 22 F HA -0.546 3.700 4.527 -0.468 0.000 0.301 22 F C 1.624 176.949 175.800 -0.791 0.000 1.087 22 F CA 4.731 62.410 58.000 -0.536 0.000 1.274 22 F CB -0.295 38.391 39.000 -0.523 0.000 1.009 22 F HN -0.458 7.659 8.300 -0.304 0.000 0.485 23 Q N -1.808 117.809 119.800 -0.305 0.000 2.096 23 Q HA -0.372 3.855 4.340 -0.188 0.000 0.204 23 Q C 2.575 178.504 176.000 -0.119 0.000 0.982 23 Q CA 3.168 58.856 55.803 -0.190 0.000 0.850 23 Q CB -0.952 27.744 28.738 -0.070 0.000 0.901 23 Q HN -0.025 8.122 8.270 -0.189 0.009 0.422 24 V N 0.258 120.096 119.914 -0.127 0.000 2.515 24 V HA -0.443 3.666 4.120 -0.019 0.000 0.250 24 V C 1.570 177.642 176.094 -0.036 0.000 1.058 24 V CA 3.587 65.850 62.300 -0.062 0.000 1.064 24 V CB -0.009 31.772 31.823 -0.069 0.000 0.675 24 V HN -0.467 7.621 8.190 -0.170 0.000 0.461 25 E N 0.604 120.748 120.200 -0.093 0.000 2.015 25 E HA -0.338 4.025 4.350 0.021 0.000 0.191 25 E C 2.687 179.383 176.600 0.160 0.000 0.991 25 E CA 3.079 59.480 56.400 0.002 0.000 0.802 25 E CB -0.656 29.038 29.700 -0.011 0.000 0.759 25 E HN -0.508 7.632 8.360 -0.189 0.107 0.447 26 Y N -1.138 119.218 120.300 0.093 0.000 2.193 26 Y HA -0.377 4.213 4.550 0.067 0.000 0.285 26 Y C 2.299 178.224 175.900 0.042 0.000 1.166 26 Y CA 0.824 58.964 58.100 0.067 0.000 1.181 26 Y CB -1.542 36.956 38.460 0.062 0.000 0.976 26 Y HN 0.221 8.389 8.280 -0.186 0.000 0.520 27 A N -1.325 121.609 122.820 0.190 0.000 1.858 27 A HA -0.448 3.935 4.320 0.105 0.000 0.216 27 A C 1.720 179.358 177.584 0.091 0.000 1.190 27 A CA 2.952 55.055 52.037 0.110 0.000 0.617 27 A CB -0.674 18.368 19.000 0.070 0.000 0.827 27 A HN 0.026 8.186 8.150 0.157 0.084 0.443 28 R N -2.587 117.963 120.500 0.085 0.000 2.133 28 R HA -0.470 3.902 4.340 0.054 0.000 0.247 28 R C 2.684 179.026 176.300 0.070 0.000 1.151 28 R CA 3.459 59.600 56.100 0.068 0.000 0.971 28 R CB -0.423 29.915 30.300 0.063 0.000 0.866 28 R HN -0.315 7.936 8.270 0.082 0.069 0.447 29 E N -1.560 118.698 120.200 0.097 0.000 2.049 29 E HA -0.324 4.066 4.350 0.067 0.000 0.198 29 E C 2.076 178.706 176.600 0.050 0.000 1.007 29 E CA 2.738 59.184 56.400 0.077 0.000 0.809 29 E CB -0.803 28.951 29.700 0.090 0.000 0.749 29 E HN -0.318 8.031 8.360 0.132 0.090 0.450 30 A N -2.330 120.522 122.820 0.053 0.000 1.948 30 A HA -0.201 4.133 4.320 0.024 0.000 0.220 30 A C 2.688 180.286 177.584 0.024 0.000 1.177 30 A CA 2.997 55.054 52.037 0.034 0.000 0.636 30 A CB -1.005 18.017 19.000 0.037 0.000 0.815 30 A HN -0.137 7.982 8.150 0.073 0.074 0.449 31 V N -4.253 115.677 119.914 0.027 0.000 2.548 31 V HA -0.288 3.836 4.120 0.008 0.000 0.249 31 V C 1.336 177.434 176.094 0.007 0.000 1.055 31 V CA 2.786 65.094 62.300 0.014 0.000 1.065 31 V CB -1.035 30.796 31.823 0.013 0.000 0.681 31 V HN -0.606 7.491 8.190 0.038 0.116 0.462 32 K N 1.051 121.460 120.400 0.015 0.000 2.103 32 K HA -0.278 4.192 4.320 0.005 -0.147 0.207 32 K C 1.934 178.537 176.600 0.005 0.000 1.048 32 K CA 3.538 59.831 56.287 0.011 0.000 0.930 32 K CB -0.360 32.153 32.500 0.020 0.000 0.716 32 K HN -0.558 7.615 8.250 0.025 0.092 0.444 33 K N -4.230 116.174 120.400 0.007 0.000 2.569 33 K HA -0.112 4.209 4.320 0.002 0.000 0.193 33 K C 0.606 177.204 176.600 -0.003 0.000 1.026 33 K CA 0.132 56.421 56.287 0.002 0.000 1.093 33 K CB -0.523 31.979 32.500 0.004 0.000 0.849 33 K HN -0.766 7.480 8.250 0.012 0.011 0.509 34 G N -0.566 108.231 108.800 -0.006 0.000 2.502 34 G HA2 0.161 4.115 3.960 -0.011 0.000 0.305 34 G HA3 0.161 4.154 3.960 -0.016 -0.042 0.305 34 G C -1.523 173.366 174.900 -0.019 0.000 1.190 34 G CA -1.852 43.240 45.100 -0.013 0.000 0.933 34 G HN -0.447 7.617 8.290 -0.005 0.223 0.503 35 S N -1.522 114.163 115.700 -0.024 0.000 2.587 35 S HA -0.129 4.328 4.470 -0.023 0.000 0.260 35 S C -0.405 174.173 174.600 -0.036 0.000 1.353 35 S CA 0.144 58.327 58.200 -0.028 0.000 0.995 35 S CB 0.447 63.628 63.200 -0.031 0.000 0.912 35 S HN 0.196 8.491 8.310 -0.024 0.000 0.568 36 T N 1.499 116.030 114.554 -0.039 0.000 2.829 36 T HA 0.600 5.107 4.350 -0.050 -0.187 0.282 36 T C -1.901 172.761 174.700 -0.062 0.000 0.990 36 T CA -0.582 61.489 62.100 -0.048 0.000 1.028 36 T CB 1.269 70.113 68.868 -0.040 0.000 0.951 36 T HN 0.217 8.436 8.240 -0.035 0.000 0.460 37 A N 6.649 129.422 122.820 -0.077 0.000 2.606 37 A HA 0.904 5.264 4.320 -0.089 -0.094 0.293 37 A C -2.975 174.544 177.584 -0.109 0.000 1.082 37 A CA -1.045 50.937 52.037 -0.092 0.000 0.685 37 A CB 3.366 22.309 19.000 -0.096 0.000 1.284 37 A HN 0.821 8.925 8.150 -0.078 0.000 0.408 38 L N -6.068 115.086 121.223 -0.115 0.000 2.801 38 L HA 0.811 5.128 4.340 -0.148 -0.066 0.264 38 L C -2.116 174.685 176.870 -0.115 0.000 1.086 38 L CA -1.069 53.693 54.840 -0.129 0.000 0.920 38 L CB 3.438 45.420 42.059 -0.129 0.000 1.529 38 L HN 0.977 9.142 8.230 -0.110 0.000 0.399 39 G N -4.844 103.886 108.800 -0.116 0.000 2.623 39 G HA2 0.838 4.843 3.960 -0.053 0.000 0.290 39 G HA3 0.838 4.761 3.960 -0.067 -0.003 0.290 39 G C -3.252 171.604 174.900 -0.075 0.000 1.437 39 G CA 0.308 45.363 45.100 -0.075 0.000 0.798 39 G HN 0.470 8.673 8.290 -0.144 0.000 0.488 40 M N -5.602 113.990 119.600 -0.014 0.000 2.605 40 M HA 0.356 4.868 4.480 -0.086 -0.084 0.281 40 M C -2.384 173.951 176.300 0.058 0.000 1.166 40 M CA 0.132 55.431 55.300 -0.002 0.000 0.875 40 M CB 4.059 36.699 32.600 0.066 0.000 1.732 40 M HN 0.202 8.504 8.290 0.020 0.000 0.504 41 K N 0.136 120.555 120.400 0.032 0.000 2.154 41 K HA 0.385 4.688 4.320 -0.207 -0.108 0.264 41 K C -0.192 176.500 176.600 0.152 0.000 1.008 41 K CA 0.505 56.769 56.287 -0.038 0.000 0.937 41 K CB 1.467 33.946 32.500 -0.035 0.000 1.002 41 K HN 0.326 8.575 8.250 -0.001 0.000 0.469 42 F N -1.740 118.259 119.950 0.082 0.000 3.205 42 F HA 0.671 5.252 4.527 0.090 0.000 0.336 42 F C 0.742 176.563 175.800 0.034 0.000 1.255 42 F CA -2.720 55.320 58.000 0.066 0.000 0.998 42 F CB 0.916 39.941 39.000 0.043 0.000 1.531 42 F HN 0.283 8.238 8.300 -0.574 0.000 0.521 43 A N 1.347 124.559 122.820 0.652 0.000 1.906 43 A HA -0.423 4.026 4.320 0.214 0.000 0.236 43 A C 0.214 177.902 177.584 0.173 0.000 1.793 43 A CA 2.924 55.185 52.037 0.373 0.000 0.813 43 A CB -0.539 18.695 19.000 0.390 0.000 0.841 43 A HN 0.240 8.809 8.150 0.699 0.000 0.491 44 N N -1.356 117.431 118.700 0.146 0.000 2.547 44 N HA 0.063 4.778 4.740 -0.041 0.000 0.285 44 N C -1.444 173.969 175.510 -0.162 0.000 1.600 44 N CA -0.733 52.312 53.050 -0.010 0.000 0.872 44 N CB 0.848 39.364 38.487 0.049 0.000 1.412 44 N HN 0.047 8.650 8.380 0.373 0.000 0.489 45 G N -1.616 106.848 108.800 -0.560 0.000 2.578 45 G HA2 0.711 4.426 3.960 -0.408 0.000 0.302 45 G HA3 0.711 4.456 3.960 -0.645 -0.172 0.302 45 G C -3.646 170.564 174.900 -1.150 0.000 1.243 45 G CA 0.476 45.138 45.100 -0.729 0.000 0.843 45 G HN -0.806 7.043 8.290 -0.735 0.000 0.486 46 V N -1.351 118.028 119.914 -0.892 0.000 3.120 46 V HA 0.796 4.652 4.120 -0.654 -0.128 0.303 46 V C -2.883 173.143 176.094 -0.115 0.000 1.238 46 V CA -1.795 60.191 62.300 -0.523 0.000 1.008 46 V CB 4.200 35.884 31.823 -0.232 0.000 1.064 46 V HN 0.055 7.867 8.190 -0.630 0.000 0.434 47 L N 1.635 122.930 121.223 0.119 0.000 2.350 47 L HA 0.890 5.431 4.340 0.198 -0.082 0.260 47 L C -3.044 173.873 176.870 0.079 0.000 1.015 47 L CA -1.887 53.063 54.840 0.184 0.000 0.821 47 L CB 3.986 46.180 42.059 0.224 0.000 1.370 47 L HN 0.446 8.737 8.230 0.101 0.000 0.416 48 L N -0.116 121.134 121.223 0.045 0.000 2.381 48 L HA 0.742 5.185 4.340 -0.033 -0.123 0.268 48 L C -2.257 174.557 176.870 -0.093 0.000 0.997 48 L CA -0.985 53.843 54.840 -0.020 0.000 0.818 48 L CB 4.933 46.990 42.059 -0.004 0.000 1.310 48 L HN 0.649 8.916 8.230 0.061 0.000 0.416 49 I N 3.836 124.341 120.570 -0.109 0.000 2.649 49 I HA 0.900 5.199 4.170 -0.144 -0.216 0.289 49 I C -3.093 172.958 176.117 -0.110 0.000 1.222 49 I CA -1.468 59.752 61.300 -0.134 0.000 1.046 49 I CB 4.373 42.273 38.000 -0.165 0.000 1.272 49 I HN 0.994 9.145 8.210 -0.098 0.000 0.425 50 S N 7.597 123.238 115.700 -0.098 0.000 2.542 50 S HA 0.449 4.869 4.470 -0.083 0.000 0.293 50 S C -1.974 172.586 174.600 -0.067 0.000 1.089 50 S CA -2.013 56.138 58.200 -0.081 0.000 0.961 50 S CB 2.616 65.770 63.200 -0.076 0.000 1.062 50 S HN 1.045 9.294 8.310 -0.101 0.000 0.483 51 D N 5.879 126.245 120.400 -0.057 0.000 2.336 51 D HA 0.121 4.736 4.640 -0.042 0.000 0.249 51 D C -1.112 175.167 176.300 -0.034 0.000 1.213 51 D CA -0.542 53.432 54.000 -0.042 0.000 0.870 51 D CB 0.800 41.578 40.800 -0.037 0.000 1.076 51 D HN 0.233 8.568 8.370 -0.059 0.000 0.483 52 K N 8.027 128.411 120.400 -0.028 0.000 2.184 52 K HA 0.016 4.322 4.320 -0.024 0.000 0.259 52 K C -1.162 175.430 176.600 -0.014 0.000 1.119 52 K CA -0.616 55.658 56.287 -0.021 0.000 0.991 52 K CB -0.468 32.021 32.500 -0.017 0.000 1.522 52 K HN -0.189 8.044 8.250 -0.027 0.000 0.405 53 K N 5.703 126.095 120.400 -0.014 0.000 2.284 53 K HA -0.022 4.294 4.320 -0.007 0.000 0.287 53 K C -0.935 175.661 176.600 -0.007 0.000 1.081 53 K CA 0.038 56.319 56.287 -0.009 0.000 0.910 53 K CB 0.366 32.860 32.500 -0.010 0.000 1.088 53 K HN -0.370 7.870 8.250 -0.017 0.000 0.478 54 V N 4.163 124.074 119.914 -0.004 0.000 2.850 54 V HA 0.088 4.205 4.120 -0.004 0.000 0.315 54 V C -0.911 175.182 176.094 -0.002 0.000 1.064 54 V CA -1.120 61.178 62.300 -0.003 0.000 0.979 54 V CB 1.776 33.598 31.823 -0.001 0.000 1.039 54 V HN 0.151 8.339 8.190 -0.003 0.000 0.452 55 R N 4.559 125.058 120.500 -0.001 0.000 1.747 55 R HA 0.168 4.508 4.340 -0.001 0.000 0.136 55 R C -0.352 175.948 176.300 0.000 0.000 2.116 55 R CA 0.093 56.193 56.100 -0.001 0.000 1.739 55 R CB 0.262 30.561 30.300 -0.001 0.000 1.333 55 R HN 0.081 8.350 8.270 -0.002 0.000 0.480 56 S N -0.802 114.898 115.700 0.000 0.000 2.576 56 S HA 0.088 4.559 4.470 0.001 0.000 0.272 56 S C 1.747 176.347 174.600 0.001 0.000 1.352 56 S CA -0.134 58.066 58.200 0.001 0.000 1.021 56 S CB 0.680 63.880 63.200 0.000 0.000 0.887 56 S HN -0.052 8.258 8.310 -0.000 0.000 0.542 57 R N 2.368 122.869 120.500 0.002 0.000 2.193 57 R HA -0.102 4.240 4.340 0.002 0.000 0.213 57 R C 0.625 176.926 176.300 0.002 0.000 1.055 57 R CA 1.355 57.456 56.100 0.002 0.000 0.995 57 R CB -0.288 30.014 30.300 0.002 0.000 0.893 57 R HN 0.492 8.763 8.270 0.001 0.000 0.459 58 L N -2.681 118.542 121.223 0.002 0.000 2.551 58 L HA -0.049 4.292 4.340 0.002 0.000 0.228 58 L C 0.325 177.195 176.870 0.001 0.000 1.153 58 L CA 0.226 55.067 54.840 0.001 0.000 0.851 58 L CB -0.482 41.577 42.059 0.001 0.000 0.959 58 L HN -0.269 7.917 8.230 0.001 0.044 0.451 59 I N -1.163 119.408 120.570 0.001 0.000 2.581 59 I HA -0.051 4.120 4.170 0.001 0.000 0.288 59 I C 1.245 177.363 176.117 0.001 0.000 1.047 59 I CA -0.950 60.351 61.300 0.001 0.000 1.374 59 I CB 0.146 38.146 38.000 -0.000 0.000 1.423 59 I HN -0.953 7.193 8.210 0.001 0.065 0.549 60 E N 7.763 127.964 120.200 0.001 0.000 2.545 60 E HA 0.000 4.352 4.350 0.003 0.000 0.271 60 E C -0.188 176.414 176.600 0.002 0.000 1.508 60 E CA -0.680 55.721 56.400 0.002 0.000 1.774 60 E CB -1.992 27.709 29.700 0.002 0.000 1.460 60 E HN 0.491 8.851 8.360 0.001 0.000 0.449 61 Q N 0.221 120.022 119.800 0.002 0.000 2.375 61 Q HA -0.672 3.670 4.340 0.002 0.000 0.443 61 Q C 0.637 176.638 176.000 0.002 0.000 0.608 61 Q CA 2.234 58.038 55.803 0.003 0.000 0.954 61 Q CB -2.025 26.716 28.738 0.005 0.000 2.600 61 Q HN -0.002 8.170 8.270 0.002 0.099 0.974 62 N N 1.599 120.301 118.700 0.004 0.000 2.144 62 N HA -0.424 4.318 4.740 0.002 0.000 0.195 62 N C 1.645 177.154 175.510 -0.001 0.000 1.006 62 N CA 2.726 55.778 53.050 0.003 0.000 0.880 62 N CB -0.436 38.055 38.487 0.007 0.000 1.018 62 N HN 0.265 8.649 8.380 0.006 0.000 0.443 63 S N 0.710 116.409 115.700 -0.000 0.000 2.423 63 S HA -0.321 4.148 4.470 -0.002 0.000 0.238 63 S C 1.266 175.863 174.600 -0.005 0.000 1.028 63 S CA 3.002 61.201 58.200 -0.002 0.000 1.000 63 S CB 0.029 63.228 63.200 -0.000 0.000 0.797 63 S HN -0.404 7.877 8.310 0.001 0.030 0.487 64 I N 1.389 121.955 120.570 -0.006 0.000 2.571 64 I HA -0.060 4.104 4.170 -0.010 0.000 0.282 64 I C -2.129 173.979 176.117 -0.015 0.000 1.085 64 I CA -1.454 59.840 61.300 -0.010 0.000 1.677 64 I CB -0.522 37.473 38.000 -0.009 0.000 1.460 64 I HN -0.581 7.586 8.210 -0.004 0.041 0.693 65 E N 4.071 124.260 120.200 -0.017 0.000 2.299 65 E HA -0.137 4.452 4.350 -0.024 -0.254 0.272 65 E C -0.532 176.047 176.600 -0.035 0.000 1.043 65 E CA 0.255 56.640 56.400 -0.025 0.000 0.895 65 E CB -0.153 29.532 29.700 -0.025 0.000 1.011 65 E HN -0.497 7.770 8.360 -0.014 0.084 0.432 66 K N 3.832 124.206 120.400 -0.043 0.000 2.242 66 K HA 0.038 4.329 4.320 -0.049 0.000 0.200 66 K C 0.209 176.765 176.600 -0.073 0.000 1.050 66 K CA 0.950 57.205 56.287 -0.054 0.000 0.981 66 K CB 1.331 33.799 32.500 -0.053 0.000 0.795 66 K HN 0.081 8.794 8.250 -0.041 -0.488 0.477 67 I N 0.048 120.570 120.570 -0.079 0.000 2.312 67 I HA -0.087 4.134 4.170 -0.117 -0.121 0.291 67 I C -0.663 175.390 176.117 -0.107 0.000 1.031 67 I CA 0.134 61.371 61.300 -0.106 0.000 1.293 67 I CB 0.050 37.983 38.000 -0.112 0.000 1.403 67 I HN -0.379 8.152 8.210 -0.068 -0.362 0.484 68 Q N 7.558 127.291 119.800 -0.112 0.000 2.345 68 Q HA 0.364 4.654 4.340 -0.083 0.000 0.268 68 Q C -1.353 174.580 176.000 -0.112 0.000 1.054 68 Q CA -1.874 53.875 55.803 -0.091 0.000 0.835 68 Q CB 4.099 32.804 28.738 -0.055 0.000 1.339 68 Q HN 0.655 8.853 8.270 -0.121 0.000 0.447 69 L N 2.285 123.449 121.223 -0.098 0.000 2.350 69 L HA -0.029 4.214 4.340 -0.163 0.000 0.275 69 L C 0.335 177.195 176.870 -0.018 0.000 1.099 69 L CA 0.375 55.158 54.840 -0.095 0.000 0.808 69 L CB 0.854 42.865 42.059 -0.080 0.000 1.149 69 L HN 0.562 8.747 8.230 -0.076 0.000 0.442 70 I N 0.400 120.982 120.570 0.020 0.000 3.339 70 I HA -0.012 4.183 4.170 0.041 0.000 0.285 70 I C -0.541 175.608 176.117 0.054 0.000 1.201 70 I CA 1.165 62.496 61.300 0.052 0.000 1.434 70 I CB 1.140 39.197 38.000 0.096 0.000 1.152 70 I HN 0.816 9.036 8.210 0.017 0.000 0.443 71 D N -2.275 118.175 120.400 0.083 0.000 2.728 71 D HA 0.005 4.701 4.640 0.093 0.000 0.249 71 D C -1.538 174.874 176.300 0.187 0.000 1.225 71 D CA -0.184 53.889 54.000 0.121 0.000 0.748 71 D CB 2.110 42.983 40.800 0.123 0.000 1.326 71 D HN -0.589 7.832 8.370 0.084 0.000 0.426 72 D N 0.949 121.479 120.400 0.217 0.000 2.332 72 D HA -0.316 4.387 4.640 0.106 0.000 0.209 72 D C 0.845 177.236 176.300 0.150 0.000 0.988 72 D CA 2.934 57.042 54.000 0.179 0.000 0.912 72 D CB -0.070 40.822 40.800 0.153 0.000 0.899 72 D HN 0.489 8.977 8.370 0.198 0.000 0.477 73 Y N -5.634 114.774 120.300 0.181 0.000 2.500 73 Y HA 0.105 4.768 4.550 0.189 0.000 0.246 73 Y C -1.585 174.488 175.900 0.287 0.000 1.146 73 Y CA -1.053 57.162 58.100 0.193 0.000 1.230 73 Y CB 0.960 39.470 38.460 0.083 0.000 1.214 73 Y HN -0.583 8.301 8.280 0.537 -0.282 0.526 74 V N -0.598 119.586 119.914 0.450 0.000 2.711 74 V HA 0.635 5.225 4.120 0.542 -0.145 0.304 74 V C -2.880 173.327 176.094 0.188 0.000 1.097 74 V CA -1.858 60.672 62.300 0.384 0.000 0.906 74 V CB 3.168 35.143 31.823 0.253 0.000 1.015 74 V HN 0.078 8.382 8.190 0.370 0.109 0.427 75 A N 7.396 130.270 122.820 0.091 0.000 2.435 75 A HA 0.947 5.288 4.320 -0.108 -0.086 0.296 75 A C -3.031 174.552 177.584 -0.002 0.000 1.147 75 A CA -2.023 49.919 52.037 -0.158 0.000 0.775 75 A CB 4.316 22.906 19.000 -0.683 0.000 1.340 75 A HN 1.081 9.411 8.150 0.300 0.000 0.427 76 A N -2.499 120.272 122.820 -0.082 0.000 2.572 76 A HA 1.047 5.405 4.320 -0.174 -0.143 0.295 76 A C -3.056 174.407 177.584 -0.201 0.000 1.072 76 A CA -1.113 50.817 52.037 -0.180 0.000 0.691 76 A CB 4.351 23.157 19.000 -0.323 0.000 1.291 76 A HN 0.834 8.915 8.150 -0.114 0.000 0.404 77 V N 0.700 120.470 119.914 -0.239 0.000 2.789 77 V HA 0.815 4.993 4.120 -0.153 -0.150 0.311 77 V C -1.730 174.240 176.094 -0.207 0.000 1.073 77 V CA -2.799 59.392 62.300 -0.182 0.000 0.921 77 V CB 4.544 36.282 31.823 -0.142 0.000 1.009 77 V HN 0.296 8.304 8.190 -0.304 0.000 0.426 78 T N 7.588 122.051 114.554 -0.152 0.000 2.930 78 T HA 0.624 4.983 4.350 -0.165 -0.108 0.290 78 T C -1.367 173.280 174.700 -0.090 0.000 1.052 78 T CA -2.160 59.860 62.100 -0.134 0.000 1.017 78 T CB 1.054 69.853 68.868 -0.116 0.000 1.137 78 T HN -0.019 8.147 8.240 -0.123 0.000 0.511 79 S N 3.222 118.880 115.700 -0.071 0.000 2.603 79 S HA 0.334 4.777 4.470 -0.044 0.000 0.274 79 S C -1.828 172.756 174.600 -0.027 0.000 1.168 79 S CA -0.072 58.100 58.200 -0.048 0.000 0.963 79 S CB 2.053 65.222 63.200 -0.052 0.000 1.078 79 S HN 1.020 9.285 8.310 -0.075 0.000 0.477 80 G N 3.503 112.294 108.800 -0.015 0.000 2.260 80 G HA2 -0.055 3.907 3.960 0.003 0.000 0.250 80 G HA3 -0.055 4.022 3.960 0.007 -0.113 0.250 80 G C -1.978 172.925 174.900 0.005 0.000 1.340 80 G CA -0.334 44.767 45.100 0.001 0.000 1.056 80 G HN -0.121 8.159 8.290 -0.018 0.000 0.471 81 L N 2.933 124.165 121.223 0.015 0.000 2.597 81 L HA 0.162 4.508 4.340 0.010 0.000 0.271 81 L C 1.017 177.895 176.870 0.015 0.000 1.157 81 L CA -0.317 54.532 54.840 0.015 0.000 0.928 81 L CB -1.525 40.547 42.059 0.020 0.000 1.216 81 L HN 0.257 8.500 8.230 0.022 0.000 0.481 82 V N 9.033 128.951 119.914 0.007 0.000 2.250 82 V HA -0.539 3.581 4.120 -0.002 0.000 0.250 82 V C 0.911 177.013 176.094 0.014 0.000 1.060 82 V CA 4.440 66.743 62.300 0.004 0.000 1.030 82 V CB 0.204 32.028 31.823 0.000 0.000 0.643 82 V HN 0.344 8.536 8.190 0.004 0.000 0.445 83 A N -2.724 120.107 122.820 0.018 0.000 1.859 83 A HA -0.386 3.948 4.320 0.024 0.000 0.217 83 A C 1.649 179.261 177.584 0.046 0.000 1.198 83 A CA 3.462 55.515 52.037 0.027 0.000 0.629 83 A CB -1.198 17.815 19.000 0.022 0.000 0.830 83 A HN 0.187 8.346 8.150 0.014 0.000 0.446 84 D N -0.460 119.976 120.400 0.059 0.000 2.133 84 D HA -0.354 4.386 4.640 0.167 0.000 0.195 84 D C 2.024 178.376 176.300 0.088 0.000 0.997 84 D CA 3.163 57.236 54.000 0.121 0.000 0.840 84 D CB -0.590 40.292 40.800 0.136 0.000 0.947 84 D HN -0.226 8.170 8.370 0.044 0.000 0.452 85 A N 0.243 123.086 122.820 0.040 0.000 1.877 85 A HA -0.330 3.985 4.320 -0.009 0.000 0.216 85 A C 1.509 179.098 177.584 0.007 0.000 1.186 85 A CA 3.044 55.084 52.037 0.005 0.000 0.620 85 A CB -0.351 18.642 19.000 -0.012 0.000 0.822 85 A HN 0.036 8.138 8.150 0.036 0.070 0.443 86 R N -0.817 119.693 120.500 0.017 0.000 2.103 86 R HA -0.349 3.999 4.340 0.013 0.000 0.234 86 R C 1.903 178.226 176.300 0.038 0.000 1.132 86 R CA 3.273 59.386 56.100 0.022 0.000 0.925 86 R CB -0.052 30.262 30.300 0.023 0.000 0.842 86 R HN -0.175 8.106 8.270 0.018 0.000 0.430 87 V N -0.574 119.372 119.914 0.053 0.000 2.380 87 V HA -0.409 3.756 4.120 0.076 0.000 0.251 87 V C 1.427 177.557 176.094 0.059 0.000 1.063 87 V CA 3.788 66.132 62.300 0.073 0.000 1.055 87 V CB 0.035 31.919 31.823 0.103 0.000 0.657 87 V HN -0.423 7.801 8.190 0.055 0.000 0.455 88 L N -1.478 119.740 121.223 -0.009 0.000 2.217 88 L HA -0.248 4.002 4.340 -0.150 0.000 0.211 88 L C 1.853 178.772 176.870 0.081 0.000 1.107 88 L CA 2.799 57.591 54.840 -0.079 0.000 0.783 88 L CB -0.297 41.631 42.059 -0.217 0.000 0.919 88 L HN -0.600 7.619 8.230 -0.002 0.009 0.442 89 V N 0.966 120.921 119.914 0.070 0.000 2.244 89 V HA -0.601 3.598 4.120 0.132 0.000 0.244 89 V C 1.710 177.863 176.094 0.097 0.000 1.042 89 V CA 5.247 67.601 62.300 0.090 0.000 1.006 89 V CB -0.552 31.296 31.823 0.041 0.000 0.641 89 V HN 0.107 8.207 8.190 0.038 0.113 0.446 90 D N -0.265 120.183 120.400 0.080 0.000 2.158 90 D HA -0.333 4.330 4.640 0.037 0.000 0.197 90 D C 2.156 178.497 176.300 0.067 0.000 0.995 90 D CA 3.653 57.691 54.000 0.064 0.000 0.846 90 D CB -0.393 40.444 40.800 0.062 0.000 0.941 90 D HN -0.246 8.167 8.370 0.071 0.000 0.456 91 F N 0.486 120.429 119.950 -0.011 0.000 2.069 91 F HA -0.459 4.062 4.527 -0.009 0.000 0.298 91 F C 0.647 176.435 175.800 -0.020 0.000 1.113 91 F CA 3.632 61.620 58.000 -0.020 0.000 1.214 91 F CB -0.105 38.864 39.000 -0.052 0.000 0.978 91 F HN -0.369 8.073 8.300 0.242 0.004 0.474 92 A N -0.739 122.081 122.820 -0.001 0.000 1.940 92 A HA -0.453 3.724 4.320 -0.239 0.000 0.219 92 A C 2.039 179.535 177.584 -0.146 0.000 1.176 92 A CA 3.111 55.090 52.037 -0.097 0.000 0.631 92 A CB -0.694 18.366 19.000 0.101 0.000 0.814 92 A HN -0.418 7.796 8.150 0.218 0.067 0.446 93 R N -1.480 118.978 120.500 -0.069 0.000 2.082 93 R HA -0.349 3.971 4.340 -0.032 0.000 0.234 93 R C 2.600 178.837 176.300 -0.106 0.000 1.136 93 R CA 3.690 59.756 56.100 -0.057 0.000 0.935 93 R CB 0.092 30.382 30.300 -0.018 0.000 0.842 93 R HN -0.237 7.946 8.270 -0.014 0.078 0.430 94 I N -3.200 117.282 120.570 -0.147 0.000 2.315 94 I HA -0.361 3.750 4.170 -0.100 0.000 0.248 94 I C 1.337 177.319 176.117 -0.225 0.000 1.117 94 I CA 3.726 64.933 61.300 -0.155 0.000 1.404 94 I CB -0.358 37.559 38.000 -0.138 0.000 1.071 94 I HN -0.092 8.033 8.210 -0.142 0.000 0.419 95 S N 0.869 116.333 115.700 -0.393 0.000 2.383 95 S HA -0.439 3.811 4.470 -0.368 0.000 0.229 95 S C 2.094 176.558 174.600 -0.226 0.000 1.030 95 S CA 3.493 61.445 58.200 -0.413 0.000 1.002 95 S CB -0.247 62.551 63.200 -0.670 0.000 0.829 95 S HN 0.331 8.340 8.310 -0.502 0.000 0.467 96 A N 1.768 124.479 122.820 -0.181 0.000 1.858 96 A HA -0.387 3.863 4.320 -0.116 0.000 0.216 96 A C 2.030 179.569 177.584 -0.076 0.000 1.190 96 A CA 3.094 55.064 52.037 -0.111 0.000 0.617 96 A CB -0.715 18.240 19.000 -0.074 0.000 0.827 96 A HN 0.253 8.077 8.150 -0.198 0.207 0.443 97 Q N -1.793 117.964 119.800 -0.071 0.000 2.112 97 Q HA -0.430 3.893 4.340 -0.030 0.000 0.206 97 Q C 2.790 178.766 176.000 -0.040 0.000 0.987 97 Q CA 2.730 58.506 55.803 -0.046 0.000 0.858 97 Q CB -0.792 27.919 28.738 -0.044 0.000 0.905 97 Q HN -0.271 7.949 8.270 -0.084 0.000 0.420 98 Q N -0.749 119.015 119.800 -0.060 0.000 2.045 98 Q HA -0.416 3.904 4.340 -0.032 0.000 0.206 98 Q C 2.164 178.167 176.000 0.005 0.000 0.991 98 Q CA 3.370 59.149 55.803 -0.039 0.000 0.851 98 Q CB -0.286 28.415 28.738 -0.061 0.000 0.911 98 Q HN 0.310 8.524 8.270 -0.091 0.001 0.418 99 E N -0.730 119.475 120.200 0.008 0.000 2.110 99 E HA -0.374 4.093 4.350 0.195 0.000 0.193 99 E C 2.300 178.962 176.600 0.103 0.000 0.988 99 E CA 2.869 59.321 56.400 0.086 0.000 0.804 99 E CB -0.328 29.372 29.700 0.001 0.000 0.745 99 E HN -0.643 7.695 8.360 -0.037 0.000 0.458 100 K N -0.677 119.741 120.400 0.030 0.000 2.026 100 K HA -0.307 4.028 4.320 0.025 0.000 0.208 100 K C 2.663 179.279 176.600 0.027 0.000 1.048 100 K CA 3.178 59.478 56.287 0.021 0.000 0.929 100 K CB -0.007 32.489 32.500 -0.006 0.000 0.713 100 K HN -0.494 7.677 8.250 -0.000 0.079 0.439 101 V N -0.810 119.109 119.914 0.010 0.000 2.759 101 V HA -0.283 3.831 4.120 -0.009 0.000 0.256 101 V C 1.237 177.315 176.094 -0.027 0.000 1.080 101 V CA 3.078 65.373 62.300 -0.008 0.000 1.101 101 V CB -0.047 31.765 31.823 -0.018 0.000 0.698 101 V HN -0.018 8.174 8.190 0.004 0.000 0.477 102 T N -0.407 114.131 114.554 -0.026 0.000 2.925 102 T HA -0.176 4.090 4.350 -0.140 0.000 0.245 102 T C 1.294 175.872 174.700 -0.204 0.000 1.025 102 T CA 2.410 64.423 62.100 -0.145 0.000 1.149 102 T CB 0.973 69.702 68.868 -0.232 0.000 0.866 102 T HN -0.422 7.807 8.240 0.023 0.024 0.437 103 Y N -0.627 119.652 120.300 -0.034 0.000 2.517 103 Y HA -0.021 4.512 4.550 -0.029 0.000 0.281 103 Y C 0.835 176.714 175.900 -0.034 0.000 1.125 103 Y CA 0.853 58.933 58.100 -0.033 0.000 1.283 103 Y CB 0.624 39.062 38.460 -0.037 0.000 1.042 103 Y HN -0.326 8.092 8.280 0.229 0.000 0.547 104 G N -2.262 106.598 108.800 0.100 0.000 2.199 104 G HA2 -0.422 3.598 3.960 0.020 0.000 0.254 104 G HA3 -0.422 3.558 3.960 0.034 0.000 0.254 104 G C -0.657 174.258 174.900 0.025 0.000 0.982 104 G CA -0.038 45.087 45.100 0.042 0.000 0.632 104 G HN -0.038 8.181 8.290 0.090 0.126 0.529 105 S N -1.267 114.456 115.700 0.039 0.000 2.570 105 S HA 0.058 4.503 4.470 -0.042 0.000 0.286 105 S C -1.685 172.888 174.600 -0.044 0.000 1.143 105 S CA -0.318 57.870 58.200 -0.021 0.000 0.921 105 S CB 1.497 64.674 63.200 -0.038 0.000 1.108 105 S HN -0.395 7.897 8.310 0.099 0.077 0.456 106 L N 8.167 129.346 121.223 -0.073 0.000 2.415 106 L HA 0.170 4.450 4.340 -0.099 0.000 0.269 106 L C -1.591 175.218 176.870 -0.102 0.000 1.244 106 L CA -0.853 53.933 54.840 -0.090 0.000 1.113 106 L CB -1.834 40.179 42.059 -0.077 0.000 1.352 106 L HN 0.511 8.691 8.230 -0.083 0.000 0.433 107 V N 5.670 125.514 119.914 -0.117 0.000 2.307 107 V HA -0.208 3.860 4.120 -0.087 0.000 0.245 107 V C -1.250 174.793 176.094 -0.085 0.000 1.045 107 V CA 2.069 64.308 62.300 -0.102 0.000 1.024 107 V CB 1.237 32.992 31.823 -0.114 0.000 0.651 107 V HN -0.203 7.876 8.190 -0.141 0.026 0.449 108 N N -3.945 114.692 118.700 -0.106 0.000 2.479 108 N HA 0.167 5.103 4.740 -0.041 -0.220 0.261 108 N C 0.437 175.891 175.510 -0.093 0.000 0.979 108 N CA -1.863 51.140 53.050 -0.079 0.000 0.930 108 N CB 0.658 39.094 38.487 -0.085 0.000 1.172 108 N HN -0.590 7.704 8.380 -0.143 0.000 0.499 109 I N 6.395 126.939 120.570 -0.044 0.000 2.394 109 I HA -0.407 3.706 4.170 -0.095 0.000 0.251 109 I C 0.428 176.418 176.117 -0.211 0.000 1.136 109 I CA 2.550 63.811 61.300 -0.066 0.000 1.425 109 I CB 0.474 38.511 38.000 0.062 0.000 1.079 109 I HN 0.033 8.523 8.210 0.003 -0.278 0.425 110 E N 0.109 120.173 120.200 -0.226 0.000 2.114 110 E HA -0.543 3.023 4.350 -1.307 0.000 0.199 110 E C 1.737 178.063 176.600 -0.455 0.000 1.008 110 E CA 3.798 59.851 56.400 -0.580 0.000 0.810 110 E CB -0.587 28.950 29.700 -0.271 0.000 0.739 110 E HN 0.406 9.008 8.360 -0.059 -0.277 0.456 111 N N -0.847 117.688 118.700 -0.274 0.000 2.120 111 N HA -0.271 4.344 4.740 -0.209 0.000 0.188 111 N C 2.185 177.546 175.510 -0.248 0.000 1.024 111 N CA 3.005 55.919 53.050 -0.226 0.000 0.852 111 N CB 0.036 38.416 38.487 -0.179 0.000 1.003 111 N HN -0.657 7.485 8.380 -0.215 0.109 0.424 112 L N 0.559 121.617 121.223 -0.275 0.000 2.012 112 L HA -0.274 3.927 4.340 -0.233 0.000 0.210 112 L C 1.106 177.725 176.870 -0.419 0.000 1.073 112 L CA 2.842 57.501 54.840 -0.302 0.000 0.748 112 L CB -0.522 41.360 42.059 -0.294 0.000 0.891 112 L HN -0.473 7.507 8.230 -0.255 0.097 0.431 113 V N -1.178 118.383 119.914 -0.588 0.000 2.343 113 V HA -0.585 2.972 4.120 -0.937 0.000 0.247 113 V C 1.472 177.364 176.094 -0.337 0.000 1.051 113 V CA 4.351 66.245 62.300 -0.677 0.000 1.036 113 V CB -0.520 30.890 31.823 -0.689 0.000 0.654 113 V HN -0.467 7.381 8.190 -0.570 0.000 0.451 114 K N -0.472 119.754 120.400 -0.290 0.000 2.044 114 K HA -0.412 3.832 4.320 -0.126 0.000 0.210 114 K C 2.209 178.763 176.600 -0.077 0.000 1.049 114 K CA 4.251 60.444 56.287 -0.157 0.000 0.927 114 K CB -0.456 31.958 32.500 -0.143 0.000 0.713 114 K HN -0.028 8.001 8.250 -0.368 0.000 0.443 115 R N -0.891 119.568 120.500 -0.068 0.000 2.080 115 R HA -0.325 4.048 4.340 0.054 0.000 0.236 115 R C 2.209 178.597 176.300 0.147 0.000 1.137 115 R CA 3.477 59.606 56.100 0.048 0.000 0.943 115 R CB -0.121 30.208 30.300 0.048 0.000 0.846 115 R HN -0.302 7.890 8.270 -0.129 0.000 0.431 116 V N -0.853 119.145 119.914 0.140 0.000 2.490 116 V HA -0.453 3.860 4.120 0.322 0.000 0.250 116 V C 1.002 177.095 176.094 -0.001 0.000 1.061 116 V CA 3.646 66.048 62.300 0.171 0.000 1.064 116 V CB -0.035 31.886 31.823 0.163 0.000 0.670 116 V HN -0.646 7.544 8.190 0.001 0.000 0.461 117 A N -0.065 122.755 122.820 -0.001 0.000 1.877 117 A HA -0.298 4.033 4.320 0.019 0.000 0.216 117 A C 1.855 179.445 177.584 0.010 0.000 1.186 117 A CA 3.133 55.175 52.037 0.009 0.000 0.620 117 A CB -0.787 18.219 19.000 0.010 0.000 0.822 117 A HN 0.430 8.481 8.150 -0.027 0.083 0.443 118 D N -1.473 118.937 120.400 0.017 0.000 2.149 118 D HA -0.355 4.314 4.640 0.048 0.000 0.198 118 D C 2.519 178.847 176.300 0.046 0.000 0.990 118 D CA 3.376 57.400 54.000 0.040 0.000 0.839 118 D CB -0.925 39.904 40.800 0.048 0.000 0.948 118 D HN 0.086 8.463 8.370 0.013 0.000 0.460 119 Q N -0.413 119.370 119.800 -0.030 0.000 2.045 119 Q HA -0.325 4.000 4.340 -0.026 0.000 0.206 119 Q C 2.540 178.568 176.000 0.047 0.000 0.991 119 Q CA 2.948 58.685 55.803 -0.110 0.000 0.851 119 Q CB -0.154 28.247 28.738 -0.563 0.000 0.911 119 Q HN -0.307 7.862 8.270 -0.035 0.081 0.418 120 M N -1.513 118.063 119.600 -0.041 0.000 2.175 120 M HA -0.335 4.252 4.480 0.179 0.000 0.264 120 M C 2.449 178.862 176.300 0.188 0.000 1.063 120 M CA 3.646 58.994 55.300 0.079 0.000 1.119 120 M CB -0.127 32.468 32.600 -0.008 0.000 1.377 120 M HN -0.563 7.589 8.290 -0.119 0.066 0.415 121 Q N 0.094 119.970 119.800 0.127 0.000 2.170 121 Q HA -0.306 4.088 4.340 0.091 0.000 0.203 121 Q C 3.074 179.163 176.000 0.149 0.000 0.976 121 Q CA 3.001 58.871 55.803 0.112 0.000 0.858 121 Q CB -0.532 28.250 28.738 0.073 0.000 0.907 121 Q HN 0.238 8.385 8.270 0.082 0.172 0.433 122 Q N -0.166 119.776 119.800 0.236 0.000 2.061 122 Q HA -0.307 4.169 4.340 0.227 0.000 0.204 122 Q C 2.048 178.199 176.000 0.251 0.000 0.984 122 Q CA 3.444 59.416 55.803 0.281 0.000 0.846 122 Q CB -0.040 28.879 28.738 0.300 0.000 0.902 122 Q HN -0.178 8.125 8.270 0.235 0.108 0.421 123 Y N -5.992 114.383 120.300 0.125 0.000 2.680 123 Y HA -0.127 4.475 4.550 0.088 0.000 0.303 123 Y C 0.707 176.609 175.900 0.002 0.000 1.166 123 Y CA 0.986 59.125 58.100 0.065 0.000 1.344 123 Y CB -1.051 37.416 38.460 0.011 0.000 1.002 123 Y HN -0.627 8.133 8.280 0.800 0.000 0.537 124 T N -1.844 112.783 114.554 0.121 0.000 3.023 124 T HA -0.147 4.204 4.350 0.000 0.000 0.266 124 T C 0.412 175.048 174.700 -0.106 0.000 1.093 124 T CA 3.289 65.389 62.100 0.001 0.000 1.129 124 T CB 0.822 69.689 68.868 -0.001 0.000 0.899 124 T HN -0.341 7.786 8.240 0.159 0.209 0.491 125 Q N -2.080 117.628 119.800 -0.152 0.000 2.215 125 Q HA 0.189 4.385 4.340 -0.239 0.000 0.257 125 Q C 1.327 177.125 176.000 -0.336 0.000 0.792 125 Q CA 0.036 55.671 55.803 -0.280 0.000 0.958 125 Q CB 1.742 30.269 28.738 -0.350 0.000 1.158 125 Q HN -0.490 7.578 8.270 -0.104 0.139 0.490 126 Y N 3.467 123.706 120.300 -0.102 0.000 3.180 126 Y HA -0.312 4.182 4.550 -0.094 0.000 0.386 126 Y C 0.595 176.424 175.900 -0.118 0.000 1.054 126 Y CA 0.260 58.285 58.100 -0.124 0.000 2.020 126 Y CB -2.574 35.776 38.460 -0.183 0.000 2.171 126 Y HN -0.283 7.915 8.280 -0.135 0.000 0.415 127 G N 1.268 110.064 108.800 -0.007 0.000 2.685 127 G HA2 -0.463 3.479 3.960 -0.030 0.000 0.329 127 G HA3 -0.463 3.503 3.960 0.010 0.000 0.329 127 G C 0.115 175.009 174.900 -0.010 0.000 1.271 127 G CA 0.379 45.475 45.100 -0.008 0.000 1.003 127 G HN -0.032 8.125 8.290 -0.073 0.089 0.549 128 G N 1.831 110.626 108.800 -0.008 0.000 2.641 128 G HA2 -0.193 3.762 3.960 -0.008 0.000 0.278 128 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.278 128 G C -1.647 173.242 174.900 -0.019 0.000 0.655 128 G CA 0.637 45.730 45.100 -0.013 0.000 2.105 128 G HN 0.349 8.638 8.290 -0.001 0.000 0.558 129 V N -1.456 118.454 119.914 -0.008 0.000 2.915 129 V HA 0.115 4.245 4.120 0.018 0.000 0.273 129 V C -2.243 173.883 176.094 0.053 0.000 1.538 129 V CA -1.046 61.265 62.300 0.019 0.000 0.946 129 V CB 3.424 35.234 31.823 -0.022 0.000 1.183 129 V HN -0.241 7.906 8.190 -0.004 0.040 0.446 130 R N 7.880 128.400 120.500 0.034 0.000 2.438 130 R HA 0.245 4.593 4.340 0.013 0.000 0.287 130 R C -1.941 174.335 176.300 -0.040 0.000 1.077 130 R CA -1.741 54.360 56.100 0.001 0.000 1.034 130 R CB 0.394 30.678 30.300 -0.027 0.000 0.993 130 R HN 0.159 8.442 8.270 0.022 0.000 0.459 131 P HA -0.047 4.369 4.420 -0.007 0.000 0.271 131 P C -1.286 175.893 177.300 -0.202 0.000 1.244 131 P CA -0.224 62.842 63.100 -0.056 0.000 0.793 131 P CB 0.599 32.312 31.700 0.023 0.000 0.984 132 Y N -1.052 119.182 120.300 -0.110 0.000 2.531 132 Y HA -0.060 4.575 4.550 -0.133 -0.164 0.347 132 Y C 1.510 177.377 175.900 -0.055 0.000 1.024 132 Y CA 0.943 58.968 58.100 -0.125 0.000 1.306 132 Y CB -0.205 38.148 38.460 -0.179 0.000 1.149 132 Y HN 0.277 8.587 8.280 0.050 0.000 0.527 133 G N 6.047 114.890 108.800 0.072 0.000 3.101 133 G HA2 0.037 4.033 3.960 0.060 0.000 0.272 133 G HA3 0.037 4.022 3.960 0.041 0.000 0.272 133 G C -2.581 172.354 174.900 0.059 0.000 0.801 133 G CA 0.042 45.177 45.100 0.058 0.000 1.978 133 G HN 0.918 9.541 8.290 0.032 -0.314 0.591 134 V N 1.397 121.349 119.914 0.064 0.000 3.167 134 V HA 0.754 5.026 4.120 0.019 -0.140 0.293 134 V C -3.191 172.913 176.094 0.017 0.000 1.379 134 V CA -1.791 60.528 62.300 0.032 0.000 1.019 134 V CB 3.450 35.289 31.823 0.027 0.000 1.115 134 V HN -0.353 7.844 8.190 0.079 0.041 0.442 135 S N 2.655 118.348 115.700 -0.011 0.000 2.570 135 S HA 0.848 5.433 4.470 -0.005 -0.118 0.286 135 S C -1.871 172.684 174.600 -0.075 0.000 1.099 135 S CA -1.194 56.992 58.200 -0.023 0.000 0.913 135 S CB 2.826 66.016 63.200 -0.016 0.000 1.085 135 S HN 0.352 8.650 8.310 -0.019 0.000 0.480 136 L N -3.735 117.420 121.223 -0.113 0.000 2.720 136 L HA 0.825 5.124 4.340 -0.206 -0.082 0.261 136 L C -2.348 174.340 176.870 -0.304 0.000 1.046 136 L CA -0.702 53.993 54.840 -0.242 0.000 0.886 136 L CB 3.359 45.212 42.059 -0.344 0.000 1.493 136 L HN 0.893 9.083 8.230 -0.066 0.000 0.407 137 I N -7.596 112.730 120.570 -0.406 0.000 2.582 137 I HA 0.730 4.909 4.170 -0.157 -0.104 0.292 137 I C -2.110 173.743 176.117 -0.441 0.000 1.066 137 I CA -1.808 59.312 61.300 -0.300 0.000 1.053 137 I CB 3.602 41.503 38.000 -0.164 0.000 1.241 137 I HN 0.651 8.620 8.210 -0.403 0.000 0.421 138 F N 4.444 124.459 119.950 0.109 0.000 2.443 138 F HA 0.720 5.437 4.527 0.078 -0.143 0.335 138 F C -1.006 174.892 175.800 0.163 0.000 1.104 138 F CA -2.173 55.904 58.000 0.127 0.000 1.013 138 F CB 3.156 42.244 39.000 0.147 0.000 1.136 138 F HN 0.390 8.737 8.300 0.262 0.110 0.470 139 A N 0.857 123.859 122.820 0.303 0.000 2.486 139 A HA 1.154 5.811 4.320 0.225 -0.202 0.300 139 A C -1.885 175.899 177.584 0.333 0.000 1.048 139 A CA -1.703 50.487 52.037 0.255 0.000 0.696 139 A CB 4.000 23.109 19.000 0.183 0.000 1.278 139 A HN 1.019 9.343 8.150 0.290 0.000 0.405 140 G N -0.239 108.698 108.800 0.229 0.000 2.313 140 G HA2 0.380 4.408 3.960 0.113 0.000 0.296 140 G HA3 0.380 4.612 3.960 0.291 -0.097 0.296 140 G C -3.499 171.449 174.900 0.080 0.000 1.356 140 G CA 0.813 46.030 45.100 0.195 0.000 0.833 140 G HN 0.212 8.595 8.290 0.156 0.000 0.552 141 I N 0.844 121.452 120.570 0.064 0.000 2.406 141 I HA 0.785 5.092 4.170 0.025 -0.121 0.290 141 I C -2.200 173.970 176.117 0.088 0.000 0.999 141 I CA -1.969 59.357 61.300 0.044 0.000 1.124 141 I CB 2.678 40.675 38.000 -0.004 0.000 1.289 141 I HN -0.198 8.072 8.210 0.101 0.000 0.441 142 D N 6.239 126.673 120.400 0.056 0.000 2.666 142 D HA 0.198 4.847 4.640 0.016 0.000 0.252 142 D C 0.377 176.680 176.300 0.005 0.000 1.143 142 D CA -1.956 52.061 54.000 0.028 0.000 1.096 142 D CB 1.640 42.459 40.800 0.032 0.000 1.260 142 D HN 0.503 8.800 8.370 0.049 0.103 0.633 143 Q N -0.971 118.819 119.800 -0.016 0.000 2.181 143 Q HA -0.230 4.095 4.340 -0.024 0.000 0.205 143 Q C 1.490 177.486 176.000 -0.007 0.000 0.980 143 Q CA 2.495 58.286 55.803 -0.021 0.000 0.862 143 Q CB -0.028 28.689 28.738 -0.034 0.000 0.905 143 Q HN -0.028 8.226 8.270 -0.027 0.000 0.429 144 I N -4.402 116.170 120.570 0.003 0.000 2.716 144 I HA -0.099 4.073 4.170 0.003 0.000 0.259 144 I C 0.467 176.588 176.117 0.007 0.000 1.172 144 I CA 0.768 62.073 61.300 0.009 0.000 1.478 144 I CB 0.893 38.906 38.000 0.022 0.000 1.104 144 I HN -0.162 8.346 8.210 0.008 -0.293 0.439 145 G N -2.804 106.001 108.800 0.009 0.000 2.293 145 G HA2 -0.123 3.835 3.960 -0.005 0.000 0.282 145 G HA3 -0.123 3.830 3.960 -0.012 0.000 0.282 145 G C -3.305 171.590 174.900 -0.010 0.000 1.299 145 G CA -0.371 44.726 45.100 -0.005 0.000 1.018 145 G HN -0.378 8.058 8.290 0.016 -0.137 0.478 146 P HA 0.147 4.668 4.420 -0.065 -0.141 0.267 146 P C -1.728 175.540 177.300 -0.054 0.000 1.205 146 P CA 0.140 63.194 63.100 -0.077 0.000 0.765 146 P CB 0.234 31.839 31.700 -0.158 0.000 0.828 147 R N 0.564 121.053 120.500 -0.019 0.000 2.725 147 R HA 0.451 4.797 4.340 -0.128 -0.084 0.277 147 R C -2.114 174.151 176.300 -0.058 0.000 0.987 147 R CA -1.381 54.694 56.100 -0.042 0.000 0.901 147 R CB 4.644 35.023 30.300 0.132 0.000 1.207 147 R HN 1.048 9.214 8.270 0.005 0.108 0.463 148 L N 2.471 123.527 121.223 -0.280 0.000 2.406 148 L HA 0.680 5.175 4.340 0.007 -0.151 0.272 148 L C -2.355 174.282 176.870 -0.389 0.000 0.980 148 L CA -0.549 54.182 54.840 -0.182 0.000 0.831 148 L CB 3.407 45.397 42.059 -0.114 0.000 1.253 148 L HN -0.168 7.950 8.230 -0.484 -0.179 0.406 149 F N 5.493 125.555 119.950 0.187 0.000 2.603 149 F HA 1.036 5.947 4.527 0.294 -0.208 0.317 149 F C -1.236 174.682 175.800 0.198 0.000 1.066 149 F CA -1.897 56.250 58.000 0.244 0.000 0.941 149 F CB 4.808 43.959 39.000 0.251 0.000 1.291 149 F HN 1.055 9.545 8.300 0.316 0.000 0.472 150 D N -0.452 120.199 120.400 0.417 0.000 2.547 150 D HA 0.640 5.488 4.640 0.100 -0.148 0.231 150 D C -1.868 174.583 176.300 0.252 0.000 1.099 150 D CA -1.511 52.606 54.000 0.195 0.000 0.901 150 D CB 3.844 44.633 40.800 -0.018 0.000 1.478 150 D HN 0.305 9.005 8.370 0.549 0.000 0.471 151 C N -0.031 119.360 119.300 0.151 0.000 2.782 151 C HA 0.865 5.667 4.460 0.167 -0.242 0.328 151 C C -2.073 172.965 174.990 0.080 0.000 1.145 151 C CA -2.205 56.905 59.018 0.153 0.000 1.358 151 C CB 3.455 31.330 27.740 0.225 0.000 1.841 151 C HN 0.887 9.153 8.230 0.062 0.000 0.477 152 D N 5.824 126.271 120.400 0.078 0.000 2.442 152 D HA 0.783 5.446 4.640 0.039 0.000 0.254 152 D C -1.121 175.212 176.300 0.055 0.000 1.069 152 D CA -2.967 51.066 54.000 0.055 0.000 1.017 152 D CB -0.382 40.451 40.800 0.055 0.000 1.172 152 D HN 0.001 8.428 8.370 0.094 0.000 0.561 153 P HA -0.156 4.312 4.420 0.079 0.000 0.223 153 P C -0.601 176.737 177.300 0.063 0.000 1.144 153 P CA 1.822 64.961 63.100 0.065 0.000 0.783 153 P CB 0.123 31.860 31.700 0.061 0.000 0.771 154 A N -6.977 115.873 122.820 0.049 0.000 2.167 154 A HA -0.074 4.266 4.320 0.033 0.000 0.214 154 A C 0.437 178.051 177.584 0.050 0.000 1.151 154 A CA 0.290 52.351 52.037 0.040 0.000 0.735 154 A CB 0.047 19.064 19.000 0.029 0.000 0.802 154 A HN -0.129 8.239 8.150 0.047 -0.190 0.467 155 G N -3.011 105.824 108.800 0.057 0.000 2.157 155 G HA2 -0.356 3.637 3.960 0.054 0.000 0.239 155 G HA3 -0.356 3.636 3.960 0.053 0.000 0.239 155 G C -0.128 174.807 174.900 0.059 0.000 0.982 155 G CA 0.029 45.162 45.100 0.056 0.000 0.650 155 G HN 0.116 8.337 8.290 0.059 0.104 0.527 156 T N 2.948 117.541 114.554 0.065 0.000 2.884 156 T HA -0.017 4.371 4.350 0.063 0.000 0.298 156 T C -1.397 173.366 174.700 0.105 0.000 0.998 156 T CA 1.889 64.033 62.100 0.073 0.000 1.124 156 T CB 0.909 69.818 68.868 0.069 0.000 0.931 156 T HN 0.033 8.513 8.240 0.062 -0.203 0.531 157 I N 4.549 125.188 120.570 0.114 0.000 2.582 157 I HA 0.803 5.329 4.170 0.215 -0.226 0.292 157 I C -2.467 173.773 176.117 0.204 0.000 1.066 157 I CA -2.494 58.910 61.300 0.173 0.000 1.053 157 I CB 3.783 41.852 38.000 0.115 0.000 1.241 157 I HN 0.200 8.465 8.210 0.091 0.000 0.421 158 N N 7.381 126.268 118.700 0.312 0.000 2.331 158 N HA 0.256 5.089 4.740 0.155 0.000 0.280 158 N C -2.742 172.921 175.510 0.255 0.000 1.155 158 N CA -0.589 52.583 53.050 0.203 0.000 0.822 158 N CB 4.012 42.491 38.487 -0.014 0.000 1.619 158 N HN 0.059 8.790 8.380 0.397 -0.113 0.476 159 E N 0.743 120.923 120.200 -0.033 0.000 2.216 159 E HA 0.563 4.824 4.350 -0.481 -0.199 0.279 159 E C -1.136 175.247 176.600 -0.362 0.000 0.997 159 E CA -0.980 55.209 56.400 -0.352 0.000 0.817 159 E CB 1.902 31.279 29.700 -0.539 0.000 1.096 159 E HN 0.192 8.512 8.360 -0.066 0.000 0.393 160 Y N 4.629 124.759 120.300 -0.284 0.000 2.650 160 Y HA 0.134 4.588 4.550 -0.160 0.000 0.331 160 Y C -0.559 175.210 175.900 -0.218 0.000 1.082 160 Y CA -0.537 57.442 58.100 -0.202 0.000 1.171 160 Y CB 2.045 40.404 38.460 -0.167 0.000 1.326 160 Y HN 0.708 8.841 8.280 -0.063 0.109 0.513 161 K N -1.112 119.268 120.400 -0.033 0.000 2.335 161 K HA -0.050 4.221 4.320 -0.081 0.000 0.195 161 K C -1.209 175.216 176.600 -0.292 0.000 1.058 161 K CA 0.709 56.917 56.287 -0.132 0.000 0.988 161 K CB 1.078 33.499 32.500 -0.131 0.000 0.880 161 K HN 0.324 8.578 8.250 0.006 0.000 0.513 162 A N -4.252 118.409 122.820 -0.265 0.000 2.590 162 A HA 0.419 4.740 4.320 -0.227 -0.137 0.296 162 A C -1.884 175.577 177.584 -0.205 0.000 1.050 162 A CA -0.139 51.705 52.037 -0.321 0.000 0.697 162 A CB 1.748 20.341 19.000 -0.679 0.000 1.277 162 A HN -0.720 7.376 8.150 -0.090 0.000 0.411 163 T N -0.272 114.127 114.554 -0.258 0.000 2.686 163 T HA 0.285 4.487 4.350 -0.246 0.000 0.308 163 T C -2.583 171.950 174.700 -0.279 0.000 1.667 163 T CA -1.088 60.799 62.100 -0.355 0.000 0.987 163 T CB 2.096 70.399 68.868 -0.941 0.000 1.652 163 T HN 0.828 8.933 8.240 -0.225 0.000 0.496 164 A N 0.240 122.903 122.820 -0.262 0.000 2.583 164 A HA 0.684 4.994 4.320 -0.180 -0.097 0.289 164 A C -3.079 174.403 177.584 -0.170 0.000 1.151 164 A CA -1.329 50.598 52.037 -0.183 0.000 0.695 164 A CB 3.111 22.037 19.000 -0.124 0.000 1.290 164 A HN 0.126 8.099 8.150 -0.296 0.000 0.419 165 I N -2.141 118.354 120.570 -0.124 0.000 3.021 165 I HA 0.198 4.317 4.170 -0.084 0.000 0.305 165 I C -1.622 174.453 176.117 -0.071 0.000 1.434 165 I CA -1.361 59.880 61.300 -0.098 0.000 0.969 165 I CB 4.314 42.245 38.000 -0.114 0.000 1.328 165 I HN 0.568 8.710 8.210 -0.115 0.000 0.486 166 G N 2.969 111.738 108.800 -0.051 0.000 2.445 166 G HA2 -0.366 3.709 3.960 -0.032 0.000 0.212 166 G HA3 -0.366 3.864 3.960 -0.044 -0.296 0.212 166 G C 0.124 175.009 174.900 -0.024 0.000 1.217 166 G CA 0.287 45.365 45.100 -0.037 0.000 1.002 166 G HN -0.291 7.972 8.290 -0.045 0.000 0.574 167 S N 3.706 119.393 115.700 -0.020 0.000 2.361 167 S HA -0.073 4.642 4.470 -0.005 -0.248 0.214 167 S C 2.501 177.096 174.600 -0.008 0.000 1.034 167 S CA 2.401 60.594 58.200 -0.011 0.000 1.025 167 S CB 0.121 63.315 63.200 -0.010 0.000 0.996 167 S HN -0.001 8.175 8.310 -0.024 0.119 0.422 168 G N 0.068 108.861 108.800 -0.012 0.000 3.414 168 G HA2 0.046 4.008 3.960 0.003 0.000 0.258 168 G HA3 0.046 4.003 3.960 -0.005 0.000 0.258 168 G C -0.632 174.263 174.900 -0.009 0.000 1.348 168 G CA -0.726 44.371 45.100 -0.005 0.000 1.319 168 G HN 0.373 8.653 8.290 -0.017 0.000 0.555 169 K N 2.348 122.740 120.400 -0.014 0.000 1.978 169 K HA -0.351 3.946 4.320 -0.039 0.000 0.214 169 K C 0.840 177.439 176.600 -0.002 0.000 1.049 169 K CA 3.825 60.099 56.287 -0.022 0.000 0.939 169 K CB 0.047 32.532 32.500 -0.026 0.000 0.721 169 K HN -0.526 7.620 8.250 -0.013 0.096 0.441 170 D N -1.129 119.278 120.400 0.011 0.000 2.170 170 D HA -0.399 4.257 4.640 0.027 0.000 0.193 170 D C 1.778 178.100 176.300 0.036 0.000 1.004 170 D CA 3.670 57.684 54.000 0.025 0.000 0.860 170 D CB -0.738 40.078 40.800 0.026 0.000 0.931 170 D HN 0.365 8.740 8.370 0.009 0.000 0.448 171 A N -0.367 122.475 122.820 0.037 0.000 1.828 171 A HA -0.160 4.198 4.320 0.063 0.000 0.215 171 A C 2.072 179.708 177.584 0.085 0.000 1.203 171 A CA 2.693 54.765 52.037 0.058 0.000 0.614 171 A CB -0.746 18.285 19.000 0.051 0.000 0.844 171 A HN -0.252 7.904 8.150 0.026 0.010 0.445 172 V N -0.075 119.871 119.914 0.053 0.000 2.324 172 V HA -0.431 3.734 4.120 0.075 0.000 0.250 172 V C 1.614 177.740 176.094 0.053 0.000 1.060 172 V CA 3.697 66.018 62.300 0.036 0.000 1.042 172 V CB 0.147 31.945 31.823 -0.041 0.000 0.650 172 V HN -0.404 7.802 8.190 0.027 0.000 0.450 173 V N -1.146 118.786 119.914 0.030 0.000 2.332 173 V HA -0.589 3.534 4.120 0.005 0.000 0.248 173 V C 0.840 176.986 176.094 0.087 0.000 1.055 173 V CA 4.814 67.133 62.300 0.032 0.000 1.038 173 V CB -0.167 31.664 31.823 0.013 0.000 0.651 173 V HN 0.712 8.905 8.190 0.017 0.007 0.450 174 S N 0.465 116.227 115.700 0.103 0.000 2.368 174 S HA -0.319 4.205 4.470 0.091 0.000 0.224 174 S C 1.921 176.627 174.600 0.176 0.000 1.029 174 S CA 3.807 62.074 58.200 0.111 0.000 0.988 174 S CB -0.453 62.796 63.200 0.081 0.000 0.838 174 S HN -0.496 7.776 8.310 0.088 0.091 0.462 175 F N 3.368 123.334 119.950 0.026 0.000 2.069 175 F HA -0.339 4.208 4.527 0.033 0.000 0.298 175 F C 0.928 176.762 175.800 0.056 0.000 1.113 175 F CA 2.741 60.762 58.000 0.035 0.000 1.214 175 F CB -0.051 38.966 39.000 0.028 0.000 0.978 175 F HN -0.482 7.994 8.300 0.293 0.000 0.474 176 L N -1.077 120.406 121.223 0.435 0.000 1.994 176 L HA -0.440 4.147 4.340 0.413 0.000 0.208 176 L C 2.253 179.283 176.870 0.266 0.000 1.071 176 L CA 2.710 57.737 54.840 0.312 0.000 0.745 176 L CB -1.796 40.329 42.059 0.111 0.000 0.892 176 L HN -0.059 8.353 8.230 0.304 0.000 0.431 177 E N -0.900 119.404 120.200 0.174 0.000 2.208 177 E HA -0.361 4.057 4.350 0.113 0.000 0.202 177 E C 1.869 178.550 176.600 0.136 0.000 1.014 177 E CA 2.859 59.336 56.400 0.129 0.000 0.819 177 E CB -0.191 29.565 29.700 0.094 0.000 0.735 177 E HN -0.031 8.311 8.360 0.155 0.110 0.469 178 R N -2.056 118.530 120.500 0.144 0.000 2.051 178 R HA -0.005 4.377 4.340 0.070 0.000 0.218 178 R C 1.644 178.014 176.300 0.116 0.000 1.188 178 R CA 1.598 57.752 56.100 0.090 0.000 0.992 178 R CB 1.018 31.325 30.300 0.011 0.000 0.883 178 R HN -0.546 7.683 8.270 0.176 0.146 0.444 179 E N -2.791 117.515 120.200 0.178 0.000 2.403 179 E HA -0.018 4.397 4.350 0.107 0.000 0.188 179 E C -0.377 176.374 176.600 0.250 0.000 1.056 179 E CA -0.165 56.356 56.400 0.201 0.000 0.892 179 E CB 0.451 30.291 29.700 0.233 0.000 1.049 179 E HN 0.080 8.474 8.360 0.235 0.107 0.465 180 Y N 1.988 122.375 120.300 0.146 0.000 2.465 180 Y HA -0.177 4.439 4.550 0.110 0.000 0.331 180 Y C -0.794 175.155 175.900 0.080 0.000 1.102 180 Y CA 1.135 59.299 58.100 0.107 0.000 1.358 180 Y CB 0.297 38.809 38.460 0.088 0.000 1.213 180 Y HN -0.368 8.053 8.280 0.345 0.067 0.525 181 K N 9.312 129.286 120.400 -0.709 0.000 2.316 181 K HA 0.229 4.346 4.320 -0.339 0.000 0.267 181 K C -0.071 176.045 176.600 -0.807 0.000 1.025 181 K CA -1.689 54.269 56.287 -0.548 0.000 0.896 181 K CB 0.876 33.226 32.500 -0.250 0.000 1.124 181 K HN 0.286 8.153 8.250 -0.638 0.000 0.451 182 E N 7.010 126.896 120.200 -0.524 0.000 2.223 182 E HA -0.478 3.815 4.350 -0.095 0.000 0.249 182 E C 0.540 177.073 176.600 -0.112 0.000 1.008 182 E CA 2.930 59.195 56.400 -0.224 0.000 0.975 182 E CB 0.132 29.804 29.700 -0.046 0.000 0.901 182 E HN 0.656 8.808 8.360 -0.346 0.000 0.537 183 N N -0.845 117.824 118.700 -0.051 0.000 2.758 183 N HA -0.042 4.740 4.740 0.070 0.000 0.293 183 N C -0.650 174.874 175.510 0.024 0.000 1.273 183 N CA -0.407 52.656 53.050 0.021 0.000 1.022 183 N CB -0.411 38.094 38.487 0.031 0.000 1.334 183 N HN -0.034 8.310 8.380 -0.059 0.000 0.519 184 L N 3.330 124.546 121.223 -0.011 0.000 2.534 184 L HA 0.185 4.505 4.340 -0.033 0.000 0.271 184 L C -2.258 174.623 176.870 0.017 0.000 1.178 184 L CA -2.226 52.603 54.840 -0.018 0.000 0.907 184 L CB 0.730 42.751 42.059 -0.063 0.000 1.164 184 L HN -0.698 7.414 8.230 -0.063 0.080 0.482 185 P HA 0.082 4.503 4.420 0.003 0.000 0.268 185 P C 0.249 177.394 177.300 -0.259 0.000 1.205 185 P CA -0.079 62.981 63.100 -0.067 0.000 0.771 185 P CB 0.848 32.527 31.700 -0.034 0.000 0.858 186 E N 6.248 126.119 120.200 -0.550 0.000 2.170 186 E HA -0.593 2.719 4.350 -1.730 0.000 0.229 186 E C 1.770 178.126 176.600 -0.406 0.000 1.074 186 E CA 4.876 60.739 56.400 -0.894 0.000 0.930 186 E CB 0.112 29.405 29.700 -0.678 0.000 0.806 186 E HN 0.471 8.586 8.360 -0.409 0.000 0.478 187 K N -2.125 118.186 120.400 -0.148 0.000 2.044 187 K HA -0.388 4.029 4.320 0.162 0.000 0.210 187 K C 2.438 179.066 176.600 0.047 0.000 1.049 187 K CA 3.529 59.849 56.287 0.054 0.000 0.927 187 K CB -0.404 32.159 32.500 0.105 0.000 0.713 187 K HN 0.091 8.263 8.250 -0.131 0.000 0.443 188 E N -1.968 118.218 120.200 -0.024 0.000 2.152 188 E HA -0.221 4.151 4.350 0.037 0.000 0.192 188 E C 2.227 178.802 176.600 -0.041 0.000 0.983 188 E CA 2.681 59.075 56.400 -0.009 0.000 0.818 188 E CB -0.134 29.556 29.700 -0.017 0.000 0.758 188 E HN -0.307 8.017 8.360 -0.059 0.000 0.467 189 A N 1.083 123.833 122.820 -0.117 0.000 1.877 189 A HA -0.234 4.072 4.320 -0.024 0.000 0.216 189 A C 1.837 179.356 177.584 -0.108 0.000 1.186 189 A CA 3.195 55.174 52.037 -0.096 0.000 0.620 189 A CB -0.337 18.570 19.000 -0.155 0.000 0.822 189 A HN -0.002 7.962 8.150 -0.177 0.080 0.443 190 V N -2.070 117.719 119.914 -0.208 0.000 2.392 190 V HA -0.452 3.516 4.120 -0.254 0.000 0.249 190 V C 1.321 177.310 176.094 -0.174 0.000 1.059 190 V CA 3.294 65.424 62.300 -0.282 0.000 1.051 190 V CB -0.382 31.107 31.823 -0.558 0.000 0.658 190 V HN 0.361 8.391 8.190 -0.266 0.000 0.455 191 T N 3.293 117.821 114.554 -0.043 0.000 2.595 191 T HA -0.447 3.965 4.350 0.104 0.000 0.264 191 T C 1.655 176.350 174.700 -0.008 0.000 1.058 191 T CA 5.742 67.875 62.100 0.054 0.000 1.166 191 T CB -0.183 68.756 68.868 0.119 0.000 0.863 191 T HN -0.742 7.405 8.240 -0.025 0.078 0.415 192 L N 1.048 122.266 121.223 -0.010 0.000 2.064 192 L HA -0.430 3.920 4.340 0.016 0.000 0.216 192 L C 1.849 178.623 176.870 -0.161 0.000 1.077 192 L CA 3.233 58.056 54.840 -0.029 0.000 0.766 192 L CB -0.651 41.422 42.059 0.023 0.000 0.890 192 L HN 0.217 8.447 8.230 0.001 0.000 0.435 193 G N -1.513 107.212 108.800 -0.126 0.000 2.484 193 G HA2 -0.422 3.423 3.960 -0.192 0.000 0.215 193 G HA3 -0.422 3.458 3.960 -0.134 0.000 0.215 193 G C 0.740 175.520 174.900 -0.200 0.000 1.219 193 G CA 1.991 46.990 45.100 -0.167 0.000 0.791 193 G HN 0.013 8.251 8.290 -0.083 0.003 0.550 194 I N 2.211 122.693 120.570 -0.146 0.000 2.315 194 I HA -0.514 3.586 4.170 -0.118 0.000 0.251 194 I C 1.224 177.279 176.117 -0.103 0.000 1.125 194 I CA 2.941 64.176 61.300 -0.108 0.000 1.392 194 I CB -0.118 37.851 38.000 -0.051 0.000 1.065 194 I HN 0.327 8.350 8.210 -0.135 0.106 0.424 195 K N -0.029 120.300 120.400 -0.117 0.000 2.001 195 K HA -0.386 3.937 4.320 0.006 0.000 0.208 195 K C 1.766 178.208 176.600 -0.265 0.000 1.048 195 K CA 3.741 59.979 56.287 -0.081 0.000 0.932 195 K CB -0.081 32.430 32.500 0.018 0.000 0.715 195 K HN 0.289 8.457 8.250 -0.109 0.017 0.437 196 A N -0.217 122.163 122.820 -0.733 0.000 1.883 196 A HA -0.233 3.017 4.320 -1.783 0.000 0.217 196 A C 2.301 179.673 177.584 -0.353 0.000 1.186 196 A CA 2.935 54.329 52.037 -1.071 0.000 0.624 196 A CB -0.598 17.771 19.000 -1.052 0.000 0.822 196 A HN 0.161 7.743 8.150 -0.661 0.172 0.444 197 L N -1.648 119.433 121.223 -0.236 0.000 2.046 197 L HA -0.351 3.923 4.340 -0.109 0.000 0.208 197 L C 1.264 178.098 176.870 -0.061 0.000 1.077 197 L CA 2.983 57.750 54.840 -0.122 0.000 0.747 197 L CB -0.360 41.633 42.059 -0.109 0.000 0.896 197 L HN 0.284 8.246 8.230 -0.268 0.107 0.432 198 K N -0.976 119.395 120.400 -0.048 0.000 1.965 198 K HA -0.431 4.106 4.320 0.001 -0.217 0.218 198 K C 2.367 178.990 176.600 0.038 0.000 1.048 198 K CA 3.315 59.604 56.287 0.004 0.000 0.960 198 K CB -0.044 32.469 32.500 0.023 0.000 0.732 198 K HN -0.021 8.115 8.250 -0.079 0.067 0.444 199 S N -1.761 113.995 115.700 0.093 0.000 2.407 199 S HA -0.453 4.089 4.470 0.120 0.000 0.244 199 S C 1.246 175.905 174.600 0.097 0.000 1.077 199 S CA 3.416 61.702 58.200 0.144 0.000 1.159 199 S CB -0.759 62.633 63.200 0.320 0.000 1.045 199 S HN -0.320 8.050 8.310 0.101 0.000 0.438 200 S N 1.671 117.422 115.700 0.085 0.000 2.523 200 S HA -0.236 4.274 4.470 0.067 0.000 0.226 200 S C 2.225 176.844 174.600 0.031 0.000 1.062 200 S CA 2.248 60.480 58.200 0.053 0.000 1.207 200 S CB 0.266 63.481 63.200 0.025 0.000 1.151 200 S HN -0.792 7.572 8.310 0.086 -0.002 0.408 201 L N -0.740 120.490 121.223 0.013 0.000 2.353 201 L HA -0.112 4.233 4.340 0.008 0.000 0.220 201 L C 2.040 178.917 176.870 0.012 0.000 1.133 201 L CA 1.463 56.308 54.840 0.007 0.000 0.798 201 L CB -0.463 41.593 42.059 -0.005 0.000 0.922 201 L HN -0.562 7.670 8.230 0.003 0.000 0.445 202 E N -1.152 119.060 120.200 0.020 0.000 2.441 202 E HA -0.129 4.230 4.350 0.016 0.000 0.210 202 E C 0.767 177.381 176.600 0.024 0.000 1.306 202 E CA -0.414 55.999 56.400 0.022 0.000 1.307 202 E CB -2.596 27.120 29.700 0.028 0.000 1.297 202 E HN 0.295 8.615 8.360 0.024 0.055 0.440 203 E N 0.355 120.567 120.200 0.020 0.000 2.152 203 E HA -0.122 4.240 4.350 0.021 0.000 0.192 203 E C 0.973 177.582 176.600 0.014 0.000 0.983 203 E CA 1.616 58.027 56.400 0.018 0.000 0.818 203 E CB 0.162 29.871 29.700 0.016 0.000 0.758 203 E HN 0.150 8.404 8.360 0.018 0.117 0.467 204 G N -0.840 107.967 108.800 0.012 0.000 3.496 204 G HA2 0.032 3.997 3.960 0.009 0.000 0.273 204 G HA3 0.032 3.997 3.960 0.008 0.000 0.273 204 G C -0.787 174.119 174.900 0.011 0.000 1.279 204 G CA -0.932 44.174 45.100 0.010 0.000 1.041 204 G HN -0.541 7.741 8.290 0.012 0.015 0.539 205 E N -0.509 119.699 120.200 0.014 0.000 4.217 205 E HA -0.638 3.723 4.350 0.019 0.000 0.199 205 E C -1.079 175.530 176.600 0.015 0.000 1.296 205 E CA 2.519 58.929 56.400 0.015 0.000 2.222 205 E CB -1.343 28.365 29.700 0.013 0.000 1.890 205 E HN -0.395 7.809 8.360 0.016 0.166 0.299 206 E N 1.127 121.334 120.200 0.012 0.000 2.415 206 E HA -0.115 4.243 4.350 0.013 0.000 0.260 206 E C 0.506 177.111 176.600 0.010 0.000 1.016 206 E CA 0.228 56.635 56.400 0.011 0.000 0.924 206 E CB 0.193 29.898 29.700 0.009 0.000 0.961 206 E HN -0.206 8.123 8.360 0.010 0.037 0.459 207 L N 7.538 128.768 121.223 0.011 0.000 2.395 207 L HA -0.158 4.362 4.340 0.004 -0.178 0.218 207 L C -0.588 176.285 176.870 0.005 0.000 1.130 207 L CA 1.049 55.894 54.840 0.008 0.000 0.826 207 L CB -0.009 42.057 42.059 0.011 0.000 0.941 207 L HN 0.260 8.498 8.230 0.015 0.000 0.451 208 K N -4.440 115.965 120.400 0.008 0.000 1.860 208 K HA -0.315 4.011 4.320 0.009 0.000 0.320 208 K C -1.549 175.058 176.600 0.011 0.000 1.716 208 K CA 1.201 57.493 56.287 0.008 0.000 0.609 208 K CB -0.967 31.535 32.500 0.003 0.000 0.915 208 K HN -0.436 7.773 8.250 0.011 0.047 0.766 209 A N 2.100 124.925 122.820 0.009 0.000 2.316 209 A HA 0.451 4.784 4.320 0.022 0.000 0.324 209 A C -2.684 174.902 177.584 0.003 0.000 1.375 209 A CA -2.311 49.734 52.037 0.013 0.000 0.882 209 A CB 0.086 19.096 19.000 0.016 0.000 1.152 209 A HN 0.139 8.292 8.150 0.005 0.000 0.512 210 P HA 0.051 4.540 4.420 -0.031 -0.088 0.274 210 P C -1.678 175.604 177.300 -0.029 0.000 1.237 210 P CA -0.702 62.383 63.100 -0.026 0.000 0.793 210 P CB 0.961 32.637 31.700 -0.039 0.000 0.977 211 E N 1.428 121.598 120.200 -0.049 0.000 2.145 211 E HA 0.334 4.669 4.350 -0.025 0.000 0.270 211 E C -1.916 174.626 176.600 -0.096 0.000 0.906 211 E CA -1.374 54.997 56.400 -0.049 0.000 0.761 211 E CB 2.729 32.403 29.700 -0.043 0.000 1.116 211 E HN 0.630 8.848 8.360 -0.057 0.108 0.408 212 I N 5.532 126.027 120.570 -0.125 0.000 2.686 212 I HA 0.786 4.985 4.170 -0.215 -0.158 0.295 212 I C -2.946 173.027 176.117 -0.240 0.000 1.114 212 I CA -2.186 58.955 61.300 -0.266 0.000 1.038 212 I CB 3.783 41.481 38.000 -0.503 0.000 1.238 212 I HN 0.494 8.665 8.210 -0.065 0.000 0.420 213 A N 6.246 128.956 122.820 -0.184 0.000 2.587 213 A HA 0.902 5.451 4.320 0.206 -0.105 0.293 213 A C -2.504 175.177 177.584 0.161 0.000 1.087 213 A CA -1.057 51.018 52.037 0.063 0.000 0.692 213 A CB 4.021 23.075 19.000 0.090 0.000 1.291 213 A HN 0.765 8.803 8.150 -0.186 0.000 0.407 214 S N -1.622 114.294 115.700 0.360 0.000 2.588 214 S HA 0.757 5.496 4.470 0.286 -0.097 0.269 214 S C -2.143 172.495 174.600 0.064 0.000 1.157 214 S CA -0.665 57.705 58.200 0.283 0.000 0.824 214 S CB 3.570 66.961 63.200 0.318 0.000 1.126 214 S HN 0.932 9.398 8.310 0.436 0.105 0.464 215 I N -0.754 119.664 120.570 -0.253 0.000 2.894 215 I HA 0.406 4.426 4.170 -0.250 0.000 0.302 215 I C -2.671 173.317 176.117 -0.215 0.000 1.188 215 I CA -1.296 59.742 61.300 -0.435 0.000 1.014 215 I CB 4.131 41.455 38.000 -1.127 0.000 1.242 215 I HN 0.321 8.424 8.210 -0.179 0.000 0.430 216 T N 5.152 119.627 114.554 -0.133 0.000 2.893 216 T HA 0.306 4.667 4.350 -0.131 -0.090 0.293 216 T C -1.268 173.393 174.700 -0.066 0.000 1.027 216 T CA -1.997 60.065 62.100 -0.064 0.000 0.988 216 T CB 1.807 70.718 68.868 0.072 0.000 1.043 216 T HN 0.369 8.523 8.240 -0.145 0.000 0.461 217 V N 6.979 126.859 119.914 -0.056 0.000 2.790 217 V HA -0.553 3.562 4.120 -0.008 0.000 0.304 217 V C 0.707 176.808 176.094 0.011 0.000 1.142 217 V CA 2.719 65.009 62.300 -0.017 0.000 1.282 217 V CB 0.542 32.356 31.823 -0.015 0.000 0.877 217 V HN 0.653 8.688 8.190 -0.075 0.110 0.504 218 G N 5.414 114.239 108.800 0.042 0.000 2.254 218 G HA2 -0.237 3.761 3.960 0.063 0.000 0.225 218 G HA3 -0.237 3.743 3.960 0.034 0.000 0.225 218 G C -1.358 173.576 174.900 0.057 0.000 1.003 218 G CA -0.321 44.809 45.100 0.051 0.000 0.622 218 G HN 0.499 8.828 8.290 0.066 0.000 0.507 219 N N -0.875 117.831 118.700 0.009 0.000 3.204 219 N HA 0.200 4.931 4.740 -0.015 0.000 0.285 219 N C -2.044 173.295 175.510 -0.285 0.000 1.536 219 N CA -0.958 52.051 53.050 -0.069 0.000 0.832 219 N CB 1.635 40.089 38.487 -0.055 0.000 1.645 219 N HN -0.206 8.100 8.380 -0.013 0.066 0.586 220 K N -2.703 117.461 120.400 -0.393 0.000 2.120 220 K HA -0.010 3.801 4.320 -0.986 -0.083 0.245 220 K C 0.152 176.604 176.600 -0.246 0.000 1.024 220 K CA 0.084 56.048 56.287 -0.538 0.000 0.906 220 K CB 0.885 33.147 32.500 -0.397 0.000 1.051 220 K HN -0.121 7.978 8.250 -0.251 0.000 0.491 221 Y N -0.528 119.650 120.300 -0.203 0.000 2.480 221 Y HA -0.232 4.406 4.550 -0.035 -0.109 0.338 221 Y C 0.441 176.327 175.900 -0.024 0.000 1.220 221 Y CA 2.477 60.536 58.100 -0.068 0.000 1.430 221 Y CB 0.816 39.254 38.460 -0.036 0.000 1.311 221 Y HN -0.495 7.751 8.280 -0.057 0.000 0.575 222 R N 3.719 124.378 120.500 0.265 0.000 2.476 222 R HA 0.406 4.825 4.340 0.131 0.000 0.305 222 R C -1.807 174.662 176.300 0.281 0.000 0.965 222 R CA -1.470 54.746 56.100 0.193 0.000 0.867 222 R CB 2.957 33.328 30.300 0.117 0.000 1.176 222 R HN 0.987 9.339 8.270 0.324 0.113 0.447 223 I N 7.168 127.855 120.570 0.196 0.000 2.325 223 I HA -0.058 4.254 4.170 0.237 0.000 0.291 223 I C -0.656 175.610 176.117 0.248 0.000 1.019 223 I CA -0.532 60.890 61.300 0.203 0.000 1.302 223 I CB 0.645 38.703 38.000 0.096 0.000 1.401 223 I HN 0.383 8.672 8.210 0.133 0.000 0.485 224 Y N 8.893 129.207 120.300 0.023 0.000 2.526 224 Y HA -0.177 4.555 4.550 0.036 -0.160 0.330 224 Y C 0.799 176.717 175.900 0.029 0.000 1.156 224 Y CA -0.027 58.088 58.100 0.024 0.000 1.419 224 Y CB 0.213 38.673 38.460 0.001 0.000 1.250 224 Y HN 0.041 8.618 8.280 0.495 0.000 0.540 225 D N 2.844 123.315 120.400 0.119 0.000 2.313 225 D HA -0.035 4.652 4.640 0.078 0.000 0.247 225 D C 0.700 177.062 176.300 0.103 0.000 1.094 225 D CA -0.740 53.310 54.000 0.082 0.000 0.925 225 D CB 1.711 42.532 40.800 0.035 0.000 1.188 225 D HN -0.136 8.257 8.370 0.038 0.000 0.430 226 Q N 2.120 121.965 119.800 0.075 0.000 2.124 226 Q HA -0.503 3.881 4.340 0.074 0.000 0.215 226 Q C 1.692 177.740 176.000 0.080 0.000 1.015 226 Q CA 4.098 59.942 55.803 0.069 0.000 0.890 226 Q CB 0.039 28.803 28.738 0.044 0.000 0.966 226 Q HN 0.652 8.958 8.270 0.059 0.000 0.412 227 E N -2.519 117.719 120.200 0.063 0.000 2.072 227 E HA -0.293 4.087 4.350 0.049 0.000 0.191 227 E C 2.042 178.695 176.600 0.088 0.000 0.985 227 E CA 2.580 59.013 56.400 0.056 0.000 0.801 227 E CB -0.618 29.099 29.700 0.028 0.000 0.750 227 E HN -0.170 8.316 8.360 0.051 -0.095 0.452 228 E N -0.377 119.892 120.200 0.115 0.000 2.058 228 E HA -0.329 4.101 4.350 0.134 0.000 0.194 228 E C 2.340 179.202 176.600 0.438 0.000 0.997 228 E CA 2.692 59.212 56.400 0.201 0.000 0.801 228 E CB -0.008 29.758 29.700 0.111 0.000 0.746 228 E HN -0.811 7.811 8.360 0.090 -0.208 0.450 229 V N 0.101 120.245 119.914 0.383 0.000 2.358 229 V HA -0.383 4.062 4.120 0.542 0.000 0.246 229 V C 1.248 177.536 176.094 0.322 0.000 1.047 229 V CA 2.778 65.311 62.300 0.390 0.000 1.035 229 V CB -0.193 31.749 31.823 0.197 0.000 0.658 229 V HN -0.154 8.203 8.190 0.278 0.000 0.452 230 K N -0.811 119.701 120.400 0.186 0.000 2.281 230 K HA -0.338 4.044 4.320 0.103 0.000 0.203 230 K C 1.960 178.608 176.600 0.081 0.000 1.046 230 K CA 2.826 59.179 56.287 0.111 0.000 0.938 230 K CB -0.432 32.108 32.500 0.066 0.000 0.737 230 K HN -0.271 8.076 8.250 0.162 0.000 0.458 231 K N -2.027 118.414 120.400 0.068 0.000 2.097 231 K HA -0.197 4.056 4.320 -0.112 0.000 0.205 231 K C 1.502 177.953 176.600 -0.247 0.000 1.050 231 K CA 2.627 58.832 56.287 -0.136 0.000 0.938 231 K CB 0.341 32.673 32.500 -0.279 0.000 0.718 231 K HN -0.449 7.727 8.250 0.144 0.160 0.442 232 F N -4.803 115.168 119.950 0.036 0.000 2.569 232 F HA -0.060 4.478 4.527 0.018 0.000 0.295 232 F C 0.657 176.463 175.800 0.011 0.000 1.115 232 F CA 0.968 58.982 58.000 0.023 0.000 1.450 232 F CB 0.546 39.563 39.000 0.028 0.000 1.107 232 F HN -0.624 7.804 8.300 0.422 0.126 0.563 233 L N 0.000 121.336 121.223 0.188 0.000 2.949 233 L HA 0.000 4.400 4.340 0.100 0.000 0.249 233 L CA 0.000 54.903 54.840 0.105 0.000 0.813 233 L CB 0.000 42.111 42.059 0.087 0.000 0.961 233 L HN 0.000 8.237 8.230 0.221 0.125 0.502