REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ku1_1_A DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AYDRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV DATA SEQUENCE LLISDKKVRS RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA DATA SEQUENCE QQEKVTYGSL VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP DATA SEQUENCE RLFDCDPAGT INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA DATA SEQUENCE LKSSLEEGEE LKAPEIASIT VGNKYRIYDQ EEVKKFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 174.902 174.900 0.003 0.000 0.946 -3 G CA 0.000 45.101 45.100 0.001 0.000 0.502 -2 A N 0.528 123.348 122.820 0.000 0.000 2.462 -2 A HA 0.100 4.423 4.320 0.005 0.000 0.243 -2 A C -0.077 177.504 177.584 -0.004 0.000 1.076 -2 A CA -0.061 51.976 52.037 -0.000 0.000 0.773 -2 A CB 0.652 19.650 19.000 -0.004 0.000 1.010 -2 A HN -0.013 8.136 8.150 -0.001 0.000 0.493 -1 M N 2.245 121.844 119.600 -0.002 0.000 2.144 -1 M HA 0.220 4.700 4.480 -0.000 0.000 0.356 -1 M C -0.617 175.665 176.300 -0.031 0.000 1.217 -1 M CA 0.044 55.343 55.300 -0.003 0.000 1.087 -1 M CB 0.381 32.992 32.600 0.017 0.000 1.609 -1 M HN -0.008 8.284 8.290 0.004 0.000 0.467 0 G N 3.485 112.260 108.800 -0.043 0.000 2.441 0 G HA2 0.102 3.989 3.960 -0.122 0.000 0.294 0 G HA3 0.102 3.993 3.960 -0.116 0.000 0.294 0 G C -2.023 172.834 174.900 -0.071 0.000 1.393 0 G CA -0.168 44.877 45.100 -0.092 0.000 0.796 0 G HN 0.109 8.385 8.290 -0.024 0.000 0.494 1 M N 0.615 120.154 119.600 -0.101 0.000 2.157 1 M HA 0.202 4.664 4.480 -0.031 0.000 0.354 1 M C 0.393 176.663 176.300 -0.049 0.000 1.170 1 M CA -0.548 54.715 55.300 -0.061 0.000 1.060 1 M CB 0.312 32.870 32.600 -0.070 0.000 1.615 1 M HN 0.233 8.426 8.290 -0.161 0.000 0.460 2 Q N 3.533 123.320 119.800 -0.023 0.000 2.119 2 Q HA -0.167 4.161 4.340 -0.020 0.000 0.201 2 Q C 0.644 176.641 176.000 -0.004 0.000 0.972 2 Q CA 1.139 56.933 55.803 -0.014 0.000 0.847 2 Q CB 0.452 29.187 28.738 -0.004 0.000 0.903 2 Q HN 0.325 8.587 8.270 -0.013 0.000 0.433 3 Q N -0.319 119.485 119.800 0.005 0.000 2.244 3 Q HA -0.124 4.228 4.340 0.021 0.000 0.278 3 Q C -0.033 175.991 176.000 0.040 0.000 1.093 3 Q CA 0.564 56.381 55.803 0.023 0.000 0.916 3 Q CB 0.089 28.846 28.738 0.033 0.000 1.159 3 Q HN -0.155 8.117 8.270 0.004 0.000 0.384 4 G N 2.116 110.946 108.800 0.050 0.000 4.517 4 G HA2 0.202 4.256 3.960 0.157 0.000 0.258 4 G HA3 0.202 4.197 3.960 0.059 0.000 0.258 4 G C -0.098 174.849 174.900 0.078 0.000 1.038 4 G CA 0.207 45.359 45.100 0.088 0.000 0.810 4 G HN 0.296 8.607 8.290 0.035 0.000 0.383 5 Q N -0.821 119.002 119.800 0.039 0.000 2.124 5 Q HA -0.203 4.144 4.340 0.012 0.000 0.202 5 Q C 0.281 176.268 176.000 -0.021 0.000 0.977 5 Q CA 1.088 56.897 55.803 0.009 0.000 0.850 5 Q CB -0.004 28.733 28.738 -0.002 0.000 0.901 5 Q HN 0.050 8.341 8.270 0.035 0.000 0.429 6 M N 0.334 119.902 119.600 -0.053 0.000 2.217 6 M HA -0.086 4.295 4.480 -0.166 0.000 0.352 6 M C -0.885 175.222 176.300 -0.321 0.000 1.376 6 M CA -0.159 55.020 55.300 -0.201 0.000 1.107 6 M CB 0.370 32.797 32.600 -0.287 0.000 1.723 6 M HN -0.510 7.760 8.290 -0.013 0.012 0.461 7 A N 5.836 128.488 122.820 -0.280 0.000 2.351 7 A HA 0.034 4.337 4.320 -0.028 0.000 0.257 7 A C -0.872 176.456 177.584 -0.426 0.000 1.087 7 A CA -0.144 51.777 52.037 -0.193 0.000 0.798 7 A CB 0.849 19.799 19.000 -0.084 0.000 1.033 7 A HN 0.074 8.093 8.150 -0.218 0.000 0.488 8 Y N -0.082 120.215 120.300 -0.006 0.000 2.350 8 Y HA 0.066 4.613 4.550 -0.006 0.000 0.338 8 Y C -0.380 175.518 175.900 -0.003 0.000 0.961 8 Y CA -0.507 57.590 58.100 -0.006 0.000 1.100 8 Y CB 1.828 40.283 38.460 -0.008 0.000 1.179 8 Y HN -0.017 8.390 8.280 0.212 0.000 0.454 9 D N 3.244 123.711 120.400 0.111 0.000 2.296 9 D HA 0.075 4.750 4.640 0.059 0.000 0.248 9 D C -0.146 176.201 176.300 0.078 0.000 1.162 9 D CA 0.308 54.349 54.000 0.069 0.000 0.956 9 D CB 0.349 41.169 40.800 0.033 0.000 1.011 9 D HN 0.145 8.567 8.370 0.086 0.000 0.404 10 R N 0.662 121.202 120.500 0.067 0.000 2.582 10 R HA 0.056 4.422 4.340 0.044 0.000 0.271 10 R C -1.351 174.988 176.300 0.064 0.000 1.078 10 R CA -0.102 56.030 56.100 0.055 0.000 1.127 10 R CB 0.631 30.957 30.300 0.043 0.000 1.038 10 R HN 0.060 8.367 8.270 0.060 0.000 0.500 11 A N -0.381 122.461 122.820 0.036 0.000 2.589 11 A HA 0.161 4.495 4.320 0.023 0.000 0.296 11 A C -1.890 175.689 177.584 -0.008 0.000 1.062 11 A CA -0.659 51.387 52.037 0.014 0.000 0.686 11 A CB 2.827 21.824 19.000 -0.005 0.000 1.282 11 A HN 0.083 8.250 8.150 0.028 0.000 0.404 12 I N -2.485 118.071 120.570 -0.023 0.000 2.325 12 I HA 0.261 4.412 4.170 -0.031 0.000 0.291 12 I C -0.602 175.463 176.117 -0.088 0.000 1.019 12 I CA -0.268 61.006 61.300 -0.042 0.000 1.302 12 I CB 0.643 38.625 38.000 -0.031 0.000 1.401 12 I HN 0.060 8.257 8.210 -0.022 0.000 0.485 13 T N 4.686 119.172 114.554 -0.113 0.000 5.326 13 T HA -0.064 4.148 4.350 -0.231 0.000 0.316 13 T C -1.123 173.471 174.700 -0.176 0.000 0.909 13 T CA 0.232 62.230 62.100 -0.171 0.000 0.520 13 T CB 0.016 68.807 68.868 -0.129 0.000 0.562 13 T HN 0.236 8.422 8.240 -0.089 0.000 0.254 14 V N 1.912 121.726 119.914 -0.166 0.000 2.409 14 V HA 0.299 4.385 4.120 -0.057 0.000 0.291 14 V C -1.888 174.130 176.094 -0.127 0.000 1.020 14 V CA -0.912 61.332 62.300 -0.093 0.000 0.848 14 V CB 1.792 33.612 31.823 -0.005 0.000 0.990 14 V HN -0.580 7.516 8.190 -0.157 0.000 0.430 15 F N 8.689 128.624 119.950 -0.025 0.000 2.399 15 F HA 0.158 4.758 4.527 -0.086 -0.125 0.342 15 F C 0.323 176.117 175.800 -0.010 0.000 1.106 15 F CA -0.366 57.605 58.000 -0.048 0.000 1.196 15 F CB 1.278 40.246 39.000 -0.054 0.000 1.163 15 F HN 0.225 8.597 8.300 0.119 0.000 0.547 16 S N 4.007 119.828 115.700 0.203 0.000 2.632 16 S HA 0.262 4.875 4.470 0.239 0.000 0.267 16 S C -0.347 174.339 174.600 0.144 0.000 1.276 16 S CA -1.223 57.100 58.200 0.204 0.000 0.998 16 S CB -0.271 63.072 63.200 0.237 0.000 0.953 16 S HN 0.317 8.714 8.310 0.144 0.000 0.547 17 P HA -0.112 4.344 4.420 0.061 0.000 0.226 17 P C -1.449 175.878 177.300 0.045 0.000 1.146 17 P CA 1.892 65.039 63.100 0.078 0.000 0.773 17 P CB -0.271 31.477 31.700 0.080 0.000 0.772 18 D N -5.841 114.588 120.400 0.049 0.000 2.395 18 D HA -0.047 4.593 4.640 -0.000 0.000 0.213 18 D C 0.601 176.877 176.300 -0.040 0.000 1.110 18 D CA -0.585 53.419 54.000 0.008 0.000 0.835 18 D CB -0.726 40.093 40.800 0.031 0.000 0.965 18 D HN -0.474 7.865 8.370 0.079 0.078 0.505 19 G N 1.567 110.341 108.800 -0.044 0.000 2.248 19 G HA2 -0.494 3.365 3.960 -0.167 0.000 0.252 19 G HA3 -0.494 3.373 3.960 -0.154 0.000 0.252 19 G C -1.440 173.461 174.900 0.003 0.000 1.085 19 G CA 0.296 45.339 45.100 -0.094 0.000 0.845 19 G HN 0.139 8.260 8.290 -0.003 0.168 0.494 20 R N -1.978 118.522 120.500 0.000 0.000 2.673 20 R HA 0.292 4.605 4.340 -0.045 0.000 0.281 20 R C -1.372 174.757 176.300 -0.285 0.000 0.991 20 R CA -1.691 54.299 56.100 -0.183 0.000 0.896 20 R CB 3.286 33.279 30.300 -0.512 0.000 1.201 20 R HN -0.140 8.123 8.270 -0.011 0.000 0.457 21 L N 4.394 125.449 121.223 -0.279 0.000 2.358 21 L HA 0.294 4.429 4.340 -0.342 0.000 0.274 21 L C 0.364 177.016 176.870 -0.364 0.000 1.136 21 L CA -2.468 52.173 54.840 -0.331 0.000 0.970 21 L CB -2.514 39.366 42.059 -0.299 0.000 1.314 21 L HN 0.820 8.931 8.230 -0.198 0.000 0.427 22 F N 4.844 124.632 119.950 -0.270 0.000 2.154 22 F HA -0.546 3.701 4.527 -0.466 0.000 0.301 22 F C 1.630 176.957 175.800 -0.789 0.000 1.087 22 F CA 4.722 62.402 58.000 -0.533 0.000 1.274 22 F CB -0.301 38.386 39.000 -0.521 0.000 1.009 22 F HN -0.444 7.676 8.300 -0.300 0.000 0.485 23 Q N -1.823 117.796 119.800 -0.303 0.000 2.096 23 Q HA -0.368 3.861 4.340 -0.186 0.000 0.204 23 Q C 2.658 178.587 176.000 -0.118 0.000 0.982 23 Q CA 3.165 58.855 55.803 -0.189 0.000 0.850 23 Q CB -0.981 27.715 28.738 -0.070 0.000 0.901 23 Q HN 0.011 8.159 8.270 -0.187 0.009 0.422 24 V N 0.144 119.982 119.914 -0.126 0.000 2.515 24 V HA -0.432 3.677 4.120 -0.019 0.000 0.250 24 V C 1.626 177.699 176.094 -0.035 0.000 1.058 24 V CA 3.154 65.417 62.300 -0.062 0.000 1.064 24 V CB -0.198 31.584 31.823 -0.069 0.000 0.675 24 V HN -0.449 7.639 8.190 -0.169 0.000 0.461 25 E N 0.710 120.855 120.200 -0.092 0.000 2.015 25 E HA -0.330 4.033 4.350 0.021 0.000 0.191 25 E C 2.652 179.348 176.600 0.161 0.000 0.991 25 E CA 3.057 59.459 56.400 0.003 0.000 0.802 25 E CB -0.628 29.066 29.700 -0.010 0.000 0.759 25 E HN -0.477 7.663 8.360 -0.188 0.107 0.447 26 Y N -1.138 119.219 120.300 0.095 0.000 2.193 26 Y HA -0.377 4.215 4.550 0.068 0.000 0.285 26 Y C 2.299 178.225 175.900 0.044 0.000 1.166 26 Y CA 0.824 58.965 58.100 0.069 0.000 1.181 26 Y CB -1.542 36.957 38.460 0.065 0.000 0.976 26 Y HN 0.221 8.390 8.280 -0.184 0.000 0.520 27 A N -1.325 121.610 122.820 0.192 0.000 1.858 27 A HA -0.448 3.937 4.320 0.107 0.000 0.216 27 A C 1.720 179.359 177.584 0.092 0.000 1.190 27 A CA 2.952 55.056 52.037 0.112 0.000 0.617 27 A CB -0.674 18.369 19.000 0.071 0.000 0.827 27 A HN 0.026 8.187 8.150 0.158 0.084 0.443 28 R N -2.587 117.964 120.500 0.086 0.000 2.133 28 R HA -0.470 3.903 4.340 0.054 0.000 0.247 28 R C 2.684 179.026 176.300 0.071 0.000 1.151 28 R CA 3.459 59.600 56.100 0.069 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 0.083 0.069 0.447 29 E N -1.560 118.698 120.200 0.098 0.000 2.049 29 E HA -0.324 4.066 4.350 0.068 0.000 0.198 29 E C 2.076 178.707 176.600 0.051 0.000 1.007 29 E CA 2.738 59.184 56.400 0.078 0.000 0.809 29 E CB -0.803 28.952 29.700 0.092 0.000 0.749 29 E HN -0.318 8.032 8.360 0.133 0.090 0.450 30 A N -2.164 120.689 122.820 0.054 0.000 1.948 30 A HA -0.203 4.133 4.320 0.026 0.000 0.220 30 A C 2.715 180.314 177.584 0.025 0.000 1.177 30 A CA 2.865 54.923 52.037 0.036 0.000 0.636 30 A CB -0.991 18.033 19.000 0.039 0.000 0.815 30 A HN -0.203 7.917 8.150 0.074 0.074 0.449 31 V N -5.611 114.319 119.914 0.028 0.000 2.548 31 V HA -0.373 3.752 4.120 0.009 0.000 0.249 31 V C 1.445 177.544 176.094 0.008 0.000 1.055 31 V CA 2.945 65.254 62.300 0.015 0.000 1.065 31 V CB -0.317 31.515 31.823 0.014 0.000 0.681 31 V HN -0.648 7.449 8.190 0.039 0.116 0.462 32 K N 0.948 121.358 120.400 0.016 0.000 2.103 32 K HA -0.264 4.206 4.320 0.006 -0.147 0.207 32 K C 1.824 178.427 176.600 0.006 0.000 1.048 32 K CA 3.310 59.604 56.287 0.012 0.000 0.930 32 K CB -0.192 32.320 32.500 0.021 0.000 0.716 32 K HN -0.502 7.671 8.250 0.026 0.092 0.444 33 K N -4.230 116.174 120.400 0.008 0.000 2.569 33 K HA -0.112 4.209 4.320 0.002 0.000 0.193 33 K C 0.606 177.205 176.600 -0.002 0.000 1.026 33 K CA 0.132 56.421 56.287 0.003 0.000 1.093 33 K CB -0.523 31.980 32.500 0.005 0.000 0.849 33 K HN -0.766 7.481 8.250 0.013 0.011 0.509 34 G N -0.566 108.231 108.800 -0.005 0.000 2.502 34 G HA2 0.161 4.116 3.960 -0.010 0.000 0.305 34 G HA3 0.161 4.155 3.960 -0.015 -0.042 0.305 34 G C -1.523 173.366 174.900 -0.018 0.000 1.190 34 G CA -1.852 43.241 45.100 -0.012 0.000 0.933 34 G HN -0.447 7.617 8.290 -0.004 0.223 0.503 35 S N -1.543 114.143 115.700 -0.023 0.000 2.587 35 S HA -0.131 4.326 4.470 -0.022 0.000 0.260 35 S C -0.408 174.171 174.600 -0.036 0.000 1.353 35 S CA 0.170 58.354 58.200 -0.027 0.000 0.995 35 S CB 0.459 63.641 63.200 -0.030 0.000 0.912 35 S HN 0.198 8.494 8.310 -0.023 0.000 0.568 36 T N 1.456 115.987 114.554 -0.038 0.000 2.829 36 T HA 0.608 5.116 4.350 -0.049 -0.187 0.282 36 T C -1.881 172.782 174.700 -0.062 0.000 0.990 36 T CA -0.582 61.490 62.100 -0.047 0.000 1.028 36 T CB 1.274 70.118 68.868 -0.039 0.000 0.951 36 T HN 0.214 8.433 8.240 -0.034 0.000 0.460 37 A N 6.679 129.453 122.820 -0.077 0.000 2.606 37 A HA 0.899 5.260 4.320 -0.089 -0.094 0.293 37 A C -2.993 174.526 177.584 -0.108 0.000 1.082 37 A CA -1.045 50.937 52.037 -0.092 0.000 0.685 37 A CB 3.315 22.258 19.000 -0.095 0.000 1.284 37 A HN 0.821 8.924 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 53.694 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 -0.109 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 -0.145 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 0.031 0.000 2.154 41 K HA 0.385 4.688 4.320 -0.208 -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 0.081 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 -0.575 0.000 0.521 43 A N 1.347 124.558 122.820 0.652 0.000 1.906 43 A HA -0.423 4.025 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 0.372 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 0.698 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 52.311 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 0.372 0.000 0.489 45 G N -1.524 106.940 108.800 -0.560 0.000 2.578 45 G HA2 0.716 4.431 3.960 -0.408 0.000 0.302 45 G HA3 0.716 4.462 3.960 -0.645 -0.172 0.302 45 G C -3.634 170.576 174.900 -1.150 0.000 1.243 45 G CA 0.418 45.081 45.100 -0.729 0.000 0.843 45 G HN -0.800 7.049 8.290 -0.736 0.000 0.486 46 V N -1.429 117.950 119.914 -0.892 0.000 3.120 46 V HA 0.836 4.691 4.120 -0.654 -0.128 0.303 46 V C -3.039 172.986 176.094 -0.115 0.000 1.238 46 V CA -2.513 59.473 62.300 -0.523 0.000 1.008 46 V CB 3.459 35.143 31.823 -0.232 0.000 1.064 46 V HN 0.168 7.980 8.190 -0.630 0.000 0.434 47 L N 1.213 122.507 121.223 0.119 0.000 2.350 47 L HA 0.875 5.416 4.340 0.199 -0.082 0.260 47 L C -3.075 173.843 176.870 0.079 0.000 1.015 47 L CA -1.847 53.103 54.840 0.184 0.000 0.821 47 L CB 3.963 46.157 42.059 0.225 0.000 1.370 47 L HN 0.450 8.740 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 5.200 4.170 -0.144 -0.216 0.289 49 I C -3.093 172.958 176.117 -0.109 0.000 1.222 49 I CA -1.468 59.752 61.300 -0.133 0.000 1.046 49 I CB 4.373 42.274 38.000 -0.165 0.000 1.272 49 I HN 0.994 9.146 8.210 -0.097 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 -0.056 0.000 2.336 51 D HA 0.121 4.737 4.640 -0.041 0.000 0.249 51 D C -1.112 175.168 176.300 -0.033 0.000 1.213 51 D CA -0.542 53.433 54.000 -0.042 0.000 0.870 51 D CB 0.800 41.578 40.800 -0.036 0.000 1.076 51 D HN 0.233 8.568 8.370 -0.058 0.000 0.483 52 K N 8.027 128.411 120.400 -0.027 0.000 2.184 52 K HA 0.016 4.322 4.320 -0.023 0.000 0.259 52 K C -1.162 175.430 176.600 -0.013 0.000 1.119 52 K CA -0.616 55.659 56.287 -0.020 0.000 0.991 52 K CB -0.468 32.022 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 5.980 126.372 120.400 -0.013 0.000 2.284 53 K HA -0.028 4.289 4.320 -0.006 0.000 0.287 53 K C -1.006 175.590 176.600 -0.006 0.000 1.081 53 K CA -0.012 56.270 56.287 -0.009 0.000 0.910 53 K CB 0.392 32.886 32.500 -0.009 0.000 1.088 53 K HN -0.290 7.950 8.250 -0.017 0.000 0.478 54 V N 4.043 123.955 119.914 -0.003 0.000 2.850 54 V HA 0.099 4.217 4.120 -0.003 0.000 0.315 54 V C -0.996 175.098 176.094 -0.001 0.000 1.064 54 V CA -1.127 61.171 62.300 -0.002 0.000 0.979 54 V CB 1.555 33.378 31.823 -0.000 0.000 1.039 54 V HN 0.171 8.359 8.190 -0.002 0.000 0.452 55 R N 4.502 125.002 120.500 -0.001 0.000 1.747 55 R HA 0.165 4.505 4.340 0.000 0.000 0.136 55 R C -0.371 175.930 176.300 0.001 0.000 2.116 55 R CA -0.083 56.017 56.100 -0.000 0.000 1.739 55 R CB 0.329 30.629 30.300 -0.001 0.000 1.333 55 R HN 0.111 8.380 8.270 -0.001 0.000 0.480 56 S N -0.802 114.898 115.700 0.001 0.000 2.576 56 S HA 0.088 4.559 4.470 0.001 0.000 0.272 56 S C 1.747 176.348 174.600 0.002 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 0.001 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 0.003 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 0.003 0.000 0.995 57 R CB -0.288 30.014 30.300 0.003 0.000 0.893 57 R HN 0.492 8.763 8.270 0.002 0.000 0.459 58 L N -2.681 118.543 121.223 0.002 0.000 2.551 58 L HA -0.049 4.292 4.340 0.002 0.000 0.228 58 L C 0.325 177.196 176.870 0.002 0.000 1.153 58 L CA 0.226 55.068 54.840 0.002 0.000 0.851 58 L CB -0.482 41.578 42.059 0.002 0.000 0.959 58 L HN -0.269 7.917 8.230 0.002 0.044 0.451 59 I N -1.163 119.408 120.570 0.002 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 0.002 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 0.001 0.000 1.423 59 I HN -0.953 7.193 8.210 0.002 0.065 0.549 60 E N 7.763 127.964 120.200 0.002 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 0.003 0.000 1.508 60 E CA -0.680 55.722 56.400 0.003 0.000 1.774 60 E CB -1.992 27.709 29.700 0.003 0.000 1.460 60 E HN 0.491 8.852 8.360 0.002 0.000 0.449 61 Q N 0.221 120.023 119.800 0.003 0.000 2.375 61 Q HA -0.672 3.670 4.340 0.003 0.000 0.443 61 Q C 0.637 176.639 176.000 0.002 0.000 0.608 61 Q CA 2.234 58.039 55.803 0.004 0.000 0.954 61 Q CB -2.025 26.716 28.738 0.006 0.000 2.600 61 Q HN -0.002 8.170 8.270 0.003 0.099 0.974 62 N N 1.599 120.302 118.700 0.004 0.000 2.144 62 N HA -0.424 4.318 4.740 0.003 0.000 0.195 62 N C 1.645 177.154 175.510 -0.000 0.000 1.006 62 N CA 2.726 55.778 53.050 0.004 0.000 0.880 62 N CB -0.436 38.056 38.487 0.007 0.000 1.018 62 N HN 0.265 8.649 8.380 0.007 0.000 0.443 63 S N 0.710 116.410 115.700 0.000 0.000 2.423 63 S HA -0.321 4.148 4.470 -0.001 0.000 0.238 63 S C 1.266 175.864 174.600 -0.004 0.000 1.028 63 S CA 3.002 61.201 58.200 -0.001 0.000 1.000 63 S CB 0.029 63.229 63.200 0.001 0.000 0.797 63 S HN -0.404 7.877 8.310 0.002 0.030 0.487 64 I N 1.389 121.956 120.570 -0.005 0.000 2.571 64 I HA -0.060 4.105 4.170 -0.009 0.000 0.282 64 I C -2.129 173.980 176.117 -0.014 0.000 1.085 64 I CA -1.454 59.840 61.300 -0.009 0.000 1.677 64 I CB -0.522 37.473 38.000 -0.008 0.000 1.460 64 I HN -0.581 7.586 8.210 -0.004 0.041 0.693 65 E N 4.071 124.261 120.200 -0.016 0.000 2.299 65 E HA -0.137 4.453 4.350 -0.024 -0.254 0.272 65 E C -0.532 176.048 176.600 -0.034 0.000 1.043 65 E CA 0.255 56.640 56.400 -0.024 0.000 0.895 65 E CB -0.153 29.533 29.700 -0.024 0.000 1.011 65 E HN -0.497 7.771 8.360 -0.013 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 -0.048 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 -0.053 0.000 0.981 66 K CB 1.331 33.800 32.500 -0.053 0.000 0.795 66 K HN 0.081 8.795 8.250 -0.040 -0.488 0.477 67 I N 0.048 120.570 120.570 -0.079 0.000 2.312 67 I HA -0.087 4.135 4.170 -0.117 -0.121 0.291 67 I C -0.663 175.390 176.117 -0.106 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 -0.067 -0.362 0.484 68 Q N 7.558 127.291 119.800 -0.111 0.000 2.345 68 Q HA 0.364 4.655 4.340 -0.082 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 -0.090 0.000 0.835 68 Q CB 4.099 32.804 28.738 -0.054 0.000 1.339 68 Q HN 0.655 8.853 8.270 -0.120 0.000 0.447 69 L N 2.285 123.450 121.223 -0.097 0.000 2.350 69 L HA -0.029 4.214 4.340 -0.162 0.000 0.275 69 L C 0.335 177.195 176.870 -0.017 0.000 1.099 69 L CA 0.375 55.158 54.840 -0.094 0.000 0.808 69 L CB 0.854 42.866 42.059 -0.079 0.000 1.149 69 L HN 0.562 8.747 8.230 -0.075 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 0.042 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 0.053 0.000 1.434 70 I CB 1.140 39.198 38.000 0.096 0.000 1.152 70 I HN 0.816 9.037 8.210 0.017 0.000 0.443 71 D N -2.275 118.175 120.400 0.084 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 42.984 40.800 0.123 0.000 1.326 71 D HN -0.589 7.832 8.370 0.085 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 0.151 0.000 0.988 72 D CA 2.934 57.042 54.000 0.180 0.000 0.912 72 D CB -0.070 40.822 40.800 0.153 0.000 0.899 72 D HN 0.489 8.978 8.370 0.198 0.000 0.477 73 Y N -5.508 114.901 120.300 0.181 0.000 2.500 73 Y HA 0.102 4.766 4.550 0.189 0.000 0.246 73 Y C -1.577 174.495 175.900 0.287 0.000 1.146 73 Y CA -1.057 57.158 58.100 0.193 0.000 1.230 73 Y CB 0.952 39.462 38.460 0.083 0.000 1.214 73 Y HN -0.585 8.299 8.280 0.538 -0.282 0.526 74 V N -0.805 119.379 119.914 0.450 0.000 2.711 74 V HA 0.640 5.230 4.120 0.542 -0.145 0.304 74 V C -2.902 173.304 176.094 0.188 0.000 1.097 74 V CA -1.866 60.664 62.300 0.384 0.000 0.906 74 V CB 3.128 35.103 31.823 0.253 0.000 1.015 74 V HN 0.087 8.391 8.190 0.371 0.109 0.427 75 A N 7.320 130.194 122.820 0.091 0.000 2.435 75 A HA 0.953 5.295 4.320 -0.108 -0.086 0.296 75 A C -3.033 174.550 177.584 -0.002 0.000 1.147 75 A CA -2.023 49.919 52.037 -0.158 0.000 0.775 75 A CB 4.364 22.954 19.000 -0.683 0.000 1.340 75 A HN 1.075 9.405 8.150 0.300 0.000 0.427 76 A N -1.848 120.923 122.820 -0.082 0.000 2.572 76 A HA 1.098 5.456 4.320 -0.174 -0.143 0.295 76 A C -2.968 174.496 177.584 -0.200 0.000 1.072 76 A CA -1.168 50.761 52.037 -0.179 0.000 0.691 76 A CB 3.990 22.796 19.000 -0.323 0.000 1.291 76 A HN 0.804 8.886 8.150 -0.114 0.000 0.404 77 V N 0.167 119.938 119.914 -0.239 0.000 2.789 77 V HA 0.790 4.969 4.120 -0.153 -0.150 0.311 77 V C -1.964 174.006 176.094 -0.206 0.000 1.073 77 V CA -2.912 59.279 62.300 -0.181 0.000 0.921 77 V CB 3.478 35.216 31.823 -0.142 0.000 1.009 77 V HN 0.375 8.383 8.190 -0.304 0.000 0.426 78 T N 7.877 122.340 114.554 -0.152 0.000 2.930 78 T HA 0.672 5.032 4.350 -0.164 -0.108 0.290 78 T C -1.304 173.343 174.700 -0.089 0.000 1.052 78 T CA -2.217 59.803 62.100 -0.133 0.000 1.017 78 T CB 1.486 70.285 68.868 -0.115 0.000 1.137 78 T HN -0.001 8.166 8.240 -0.122 0.000 0.511 79 S N 3.357 119.014 115.700 -0.071 0.000 2.603 79 S HA 0.289 4.734 4.470 -0.043 0.000 0.274 79 S C -1.853 172.732 174.600 -0.026 0.000 1.168 79 S CA -0.152 58.020 58.200 -0.047 0.000 0.963 79 S CB 1.828 64.997 63.200 -0.051 0.000 1.078 79 S HN 1.053 9.319 8.310 -0.075 0.000 0.477 80 G N 3.503 112.295 108.800 -0.014 0.000 2.260 80 G HA2 -0.055 3.908 3.960 0.005 0.000 0.250 80 G HA3 -0.055 4.023 3.960 0.008 -0.113 0.250 80 G C -1.978 172.926 174.900 0.006 0.000 1.340 80 G CA -0.334 44.767 45.100 0.002 0.000 1.056 80 G HN -0.121 8.159 8.290 -0.016 0.000 0.471 81 L N 2.734 123.968 121.223 0.017 0.000 2.597 81 L HA 0.137 4.484 4.340 0.012 0.000 0.271 81 L C 0.974 177.854 176.870 0.017 0.000 1.157 81 L CA -0.421 54.429 54.840 0.018 0.000 0.928 81 L CB -1.683 40.391 42.059 0.024 0.000 1.216 81 L HN 0.256 8.501 8.230 0.024 0.000 0.481 82 V N 9.526 129.445 119.914 0.009 0.000 2.250 82 V HA -0.528 3.592 4.120 0.001 0.000 0.250 82 V C 0.798 176.902 176.094 0.016 0.000 1.060 82 V CA 4.118 66.422 62.300 0.007 0.000 1.030 82 V CB 0.130 31.954 31.823 0.003 0.000 0.643 82 V HN 0.311 8.505 8.190 0.006 0.000 0.445 83 A N -2.878 119.955 122.820 0.021 0.000 1.859 83 A HA -0.374 3.962 4.320 0.028 0.000 0.217 83 A C 1.853 179.468 177.584 0.050 0.000 1.198 83 A CA 3.468 55.523 52.037 0.031 0.000 0.629 83 A CB -1.212 17.804 19.000 0.027 0.000 0.830 83 A HN 0.130 8.290 8.150 0.017 0.000 0.446 84 D N -0.460 119.978 120.400 0.063 0.000 2.133 84 D HA -0.354 4.388 4.640 0.171 0.000 0.195 84 D C 2.024 178.378 176.300 0.091 0.000 0.997 84 D CA 3.163 57.238 54.000 0.125 0.000 0.840 84 D CB -0.590 40.294 40.800 0.140 0.000 0.947 84 D HN -0.226 8.173 8.370 0.048 0.000 0.452 85 A N 0.243 123.088 122.820 0.042 0.000 1.877 85 A HA -0.330 3.986 4.320 -0.007 0.000 0.216 85 A C 1.509 179.099 177.584 0.009 0.000 1.186 85 A CA 3.044 55.085 52.037 0.007 0.000 0.620 85 A CB -0.351 18.643 19.000 -0.010 0.000 0.822 85 A HN 0.036 8.139 8.150 0.039 0.070 0.443 86 R N -0.673 119.839 120.500 0.020 0.000 2.103 86 R HA -0.325 4.024 4.340 0.015 0.000 0.234 86 R C 1.961 178.286 176.300 0.041 0.000 1.132 86 R CA 3.270 59.385 56.100 0.024 0.000 0.925 86 R CB 0.031 30.347 30.300 0.025 0.000 0.842 86 R HN -0.195 8.087 8.270 0.021 0.000 0.430 87 V N -0.351 119.597 119.914 0.056 0.000 2.380 87 V HA -0.318 3.850 4.120 0.079 0.000 0.251 87 V C 1.416 177.547 176.094 0.062 0.000 1.063 87 V CA 3.227 65.572 62.300 0.076 0.000 1.055 87 V CB -0.437 31.451 31.823 0.107 0.000 0.657 87 V HN -0.406 7.819 8.190 0.059 0.000 0.455 88 L N -1.081 120.138 121.223 -0.007 0.000 2.217 88 L HA -0.217 4.034 4.340 -0.148 0.000 0.211 88 L C 2.291 179.211 176.870 0.083 0.000 1.107 88 L CA 2.790 57.584 54.840 -0.077 0.000 0.783 88 L CB -0.338 41.591 42.059 -0.216 0.000 0.919 88 L HN -0.582 7.639 8.230 0.001 0.009 0.442 89 V N 0.897 120.853 119.914 0.071 0.000 2.244 89 V HA -0.543 3.656 4.120 0.133 0.000 0.244 89 V C 1.966 178.119 176.094 0.098 0.000 1.042 89 V CA 5.107 67.462 62.300 0.091 0.000 1.006 89 V CB -0.910 30.938 31.823 0.043 0.000 0.641 89 V HN 0.104 8.205 8.190 0.040 0.113 0.446 90 D N -0.253 120.196 120.400 0.082 0.000 2.158 90 D HA -0.334 4.329 4.640 0.039 0.000 0.197 90 D C 2.205 178.546 176.300 0.069 0.000 0.995 90 D CA 3.658 57.697 54.000 0.066 0.000 0.846 90 D CB -0.366 40.472 40.800 0.064 0.000 0.941 90 D HN -0.236 8.178 8.370 0.073 0.000 0.456 91 F N 0.486 120.430 119.950 -0.009 0.000 2.069 91 F HA -0.459 4.063 4.527 -0.007 0.000 0.298 91 F C 0.647 176.436 175.800 -0.019 0.000 1.113 91 F CA 3.632 61.621 58.000 -0.019 0.000 1.214 91 F CB -0.105 38.864 39.000 -0.051 0.000 0.978 91 F HN -0.369 8.074 8.300 0.244 0.004 0.474 92 A N -0.739 122.081 122.820 -0.000 0.000 1.940 92 A HA -0.453 3.724 4.320 -0.239 0.000 0.219 92 A C 2.039 179.536 177.584 -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 0.219 0.067 0.446 93 R N -1.480 118.979 120.500 -0.069 0.000 2.082 93 R HA -0.349 3.972 4.340 -0.032 0.000 0.234 93 R C 2.600 178.837 176.300 -0.105 0.000 1.136 93 R CA 3.690 59.757 56.100 -0.056 0.000 0.935 93 R CB 0.092 30.383 30.300 -0.017 0.000 0.842 93 R HN -0.237 7.947 8.270 -0.013 0.078 0.430 94 I N -3.200 117.282 120.570 -0.146 0.000 2.315 94 I HA -0.361 3.750 4.170 -0.099 0.000 0.248 94 I C 1.337 177.319 176.117 -0.225 0.000 1.117 94 I CA 3.726 64.934 61.300 -0.154 0.000 1.404 94 I CB -0.358 37.560 38.000 -0.137 0.000 1.071 94 I HN -0.092 8.033 8.210 -0.141 0.000 0.419 95 S N 0.869 116.333 115.700 -0.392 0.000 2.383 95 S HA -0.439 3.811 4.470 -0.367 0.000 0.229 95 S C 2.094 176.558 174.600 -0.226 0.000 1.030 95 S CA 3.493 61.446 58.200 -0.413 0.000 1.002 95 S CB -0.247 62.551 63.200 -0.671 0.000 0.829 95 S HN 0.331 8.341 8.310 -0.501 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 -0.075 0.000 1.190 96 A CA 3.094 55.065 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 -0.070 0.000 2.112 97 Q HA -0.430 3.893 4.340 -0.029 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 -0.045 0.000 0.858 97 Q CB -0.792 27.920 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 -0.059 0.000 2.045 98 Q HA -0.416 3.905 4.340 -0.032 0.000 0.206 98 Q C 2.164 178.168 176.000 0.005 0.000 0.991 98 Q CA 3.370 59.150 55.803 -0.038 0.000 0.851 98 Q CB -0.286 28.416 28.738 -0.061 0.000 0.911 98 Q HN 0.310 8.525 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 59.320 56.400 0.086 0.000 0.804 99 E CB -0.328 29.372 29.700 0.000 0.000 0.745 99 E HN -0.643 7.695 8.360 -0.037 0.000 0.458 100 K N -0.733 119.685 120.400 0.030 0.000 2.026 100 K HA -0.308 4.027 4.320 0.025 0.000 0.208 100 K C 2.654 179.270 176.600 0.027 0.000 1.048 100 K CA 3.200 59.499 56.287 0.021 0.000 0.929 100 K CB 0.009 32.505 32.500 -0.006 0.000 0.713 100 K HN -0.496 7.676 8.250 -0.000 0.079 0.439 101 V N -1.135 118.785 119.914 0.010 0.000 2.759 101 V HA -0.314 3.801 4.120 -0.008 0.000 0.256 101 V C 1.201 177.279 176.094 -0.026 0.000 1.080 101 V CA 2.835 65.130 62.300 -0.008 0.000 1.101 101 V CB 0.136 31.948 31.823 -0.017 0.000 0.698 101 V HN -0.020 8.172 8.190 0.004 0.000 0.477 102 T N -0.822 113.717 114.554 -0.026 0.000 2.925 102 T HA -0.187 4.080 4.350 -0.140 0.000 0.245 102 T C 1.334 175.912 174.700 -0.204 0.000 1.025 102 T CA 2.379 64.392 62.100 -0.145 0.000 1.149 102 T CB 0.755 69.484 68.868 -0.232 0.000 0.866 102 T HN -0.458 7.771 8.240 0.023 0.024 0.437 103 Y N -0.684 119.596 120.300 -0.034 0.000 2.517 103 Y HA -0.021 4.512 4.550 -0.029 0.000 0.281 103 Y C 0.839 176.719 175.900 -0.034 0.000 1.125 103 Y CA 0.891 58.971 58.100 -0.033 0.000 1.283 103 Y CB 0.610 39.047 38.460 -0.037 0.000 1.042 103 Y HN -0.307 8.110 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 45.088 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 -0.039 0.000 1.108 105 S HN -0.395 7.897 8.310 0.099 0.077 0.456 106 L N 8.520 129.699 121.223 -0.073 0.000 2.415 106 L HA 0.197 4.478 4.340 -0.099 0.000 0.269 106 L C -1.585 175.224 176.870 -0.103 0.000 1.244 106 L CA -0.875 53.911 54.840 -0.090 0.000 1.113 106 L CB -1.835 40.178 42.059 -0.077 0.000 1.352 106 L HN 0.509 8.688 8.230 -0.083 0.000 0.433 107 V N 5.064 124.907 119.914 -0.118 0.000 2.307 107 V HA -0.224 3.844 4.120 -0.088 0.000 0.245 107 V C -1.195 174.847 176.094 -0.086 0.000 1.045 107 V CA 2.026 64.264 62.300 -0.103 0.000 1.024 107 V CB 0.776 32.530 31.823 -0.115 0.000 0.651 107 V HN -0.225 7.854 8.190 -0.141 0.026 0.449 108 N N -3.894 114.742 118.700 -0.107 0.000 2.479 108 N HA 0.166 5.101 4.740 -0.041 -0.220 0.261 108 N C 0.485 175.939 175.510 -0.094 0.000 0.979 108 N CA -1.786 51.217 53.050 -0.079 0.000 0.930 108 N CB 0.719 39.154 38.487 -0.086 0.000 1.172 108 N HN -0.574 7.719 8.380 -0.144 0.000 0.499 109 I N 6.395 126.938 120.570 -0.045 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 -0.212 0.000 1.136 109 I CA 2.550 63.810 61.300 -0.067 0.000 1.425 109 I CB 0.474 38.511 38.000 0.061 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 -0.227 0.000 2.114 110 E HA -0.543 3.022 4.350 -1.308 0.000 0.199 110 E C 1.737 178.063 176.600 -0.456 0.000 1.008 110 E CA 3.798 59.850 56.400 -0.581 0.000 0.810 110 E CB -0.587 28.950 29.700 -0.272 0.000 0.739 110 E HN 0.406 9.007 8.360 -0.060 -0.277 0.456 111 N N -0.847 117.688 118.700 -0.276 0.000 2.120 111 N HA -0.271 4.343 4.740 -0.210 0.000 0.188 111 N C 2.185 177.546 175.510 -0.249 0.000 1.024 111 N CA 3.005 55.918 53.050 -0.227 0.000 0.852 111 N CB 0.036 38.415 38.487 -0.181 0.000 1.003 111 N HN -0.657 7.485 8.380 -0.216 0.109 0.424 112 L N 0.475 121.532 121.223 -0.276 0.000 2.012 112 L HA -0.273 3.927 4.340 -0.234 0.000 0.210 112 L C 1.174 177.793 176.870 -0.420 0.000 1.073 112 L CA 2.877 57.535 54.840 -0.303 0.000 0.748 112 L CB -0.537 41.345 42.059 -0.295 0.000 0.891 112 L HN -0.466 7.514 8.230 -0.256 0.097 0.431 113 V N -1.083 118.478 119.914 -0.589 0.000 2.343 113 V HA -0.545 3.012 4.120 -0.938 0.000 0.247 113 V C 1.552 177.443 176.094 -0.339 0.000 1.051 113 V CA 4.069 65.963 62.300 -0.678 0.000 1.036 113 V CB -0.626 30.784 31.823 -0.690 0.000 0.654 113 V HN -0.473 7.374 8.190 -0.571 0.000 0.451 114 K N -0.396 119.829 120.400 -0.292 0.000 2.044 114 K HA -0.419 3.824 4.320 -0.128 0.000 0.210 114 K C 2.250 178.802 176.600 -0.079 0.000 1.049 114 K CA 4.315 60.507 56.287 -0.159 0.000 0.927 114 K CB -0.444 31.969 32.500 -0.145 0.000 0.713 114 K HN -0.031 7.998 8.250 -0.370 0.000 0.443 115 R N -0.981 119.477 120.500 -0.070 0.000 2.080 115 R HA -0.329 4.042 4.340 0.051 0.000 0.236 115 R C 2.215 178.602 176.300 0.145 0.000 1.137 115 R CA 3.468 59.595 56.100 0.046 0.000 0.943 115 R CB -0.129 30.198 30.300 0.047 0.000 0.846 115 R HN -0.292 7.899 8.270 -0.131 0.000 0.431 116 V N -0.833 119.164 119.914 0.138 0.000 2.490 116 V HA -0.433 3.880 4.120 0.321 0.000 0.250 116 V C 1.047 177.139 176.094 -0.004 0.000 1.061 116 V CA 3.192 65.594 62.300 0.169 0.000 1.064 116 V CB -0.158 31.762 31.823 0.162 0.000 0.670 116 V HN -0.644 7.546 8.190 -0.001 0.000 0.461 117 A N 0.084 122.902 122.820 -0.003 0.000 1.877 117 A HA -0.286 4.044 4.320 0.017 0.000 0.216 117 A C 1.884 179.472 177.584 0.006 0.000 1.186 117 A CA 3.160 55.200 52.037 0.005 0.000 0.620 117 A CB -0.747 18.257 19.000 0.007 0.000 0.822 117 A HN 0.446 8.496 8.150 -0.029 0.083 0.443 118 D N -1.473 118.934 120.400 0.013 0.000 2.149 118 D HA -0.355 4.310 4.640 0.042 0.000 0.198 118 D C 2.519 178.843 176.300 0.040 0.000 0.990 118 D CA 3.376 57.397 54.000 0.035 0.000 0.839 118 D CB -0.925 39.901 40.800 0.043 0.000 0.948 118 D HN 0.086 8.461 8.370 0.009 0.000 0.460 119 Q N -0.413 119.366 119.800 -0.035 0.000 2.045 119 Q HA -0.325 3.996 4.340 -0.033 0.000 0.206 119 Q C 2.540 178.564 176.000 0.040 0.000 0.991 119 Q CA 2.948 58.681 55.803 -0.116 0.000 0.851 119 Q CB -0.154 28.244 28.738 -0.566 0.000 0.911 119 Q HN -0.307 7.859 8.270 -0.040 0.081 0.418 120 M N -1.513 118.059 119.600 -0.046 0.000 2.175 120 M HA -0.335 4.249 4.480 0.174 0.000 0.264 120 M C 2.449 178.857 176.300 0.180 0.000 1.063 120 M CA 3.647 58.991 55.300 0.074 0.000 1.119 120 M CB -0.127 32.466 32.600 -0.012 0.000 1.377 120 M HN -0.563 7.586 8.290 -0.124 0.066 0.415 121 Q N 0.094 119.965 119.800 0.119 0.000 2.170 121 Q HA -0.306 4.083 4.340 0.083 0.000 0.203 121 Q C 3.074 179.156 176.000 0.136 0.000 0.976 121 Q CA 3.001 58.865 55.803 0.102 0.000 0.858 121 Q CB -0.532 28.245 28.738 0.065 0.000 0.907 121 Q HN 0.238 8.381 8.270 0.075 0.172 0.433 122 Q N -0.166 119.767 119.800 0.222 0.000 2.061 122 Q HA -0.307 4.157 4.340 0.206 0.000 0.204 122 Q C 2.048 178.183 176.000 0.226 0.000 0.984 122 Q CA 3.444 59.404 55.803 0.262 0.000 0.846 122 Q CB -0.039 28.867 28.738 0.280 0.000 0.902 122 Q HN -0.178 8.117 8.270 0.223 0.108 0.421 123 Y N -6.033 114.329 120.300 0.103 0.000 2.680 123 Y HA -0.160 4.422 4.550 0.054 0.000 0.303 123 Y C 0.654 176.542 175.900 -0.020 0.000 1.166 123 Y CA 1.011 59.135 58.100 0.040 0.000 1.344 123 Y CB -1.108 37.349 38.460 -0.006 0.000 1.002 123 Y HN -0.612 8.138 8.280 0.783 0.000 0.537 124 T N -2.093 112.522 114.554 0.102 0.000 3.023 124 T HA -0.151 4.191 4.350 -0.013 0.000 0.266 124 T C 0.236 174.860 174.700 -0.127 0.000 1.093 124 T CA 3.156 65.247 62.100 -0.015 0.000 1.129 124 T CB 0.604 69.464 68.868 -0.013 0.000 0.899 124 T HN -0.371 7.745 8.240 0.141 0.209 0.491 125 Q N -1.734 117.958 119.800 -0.179 0.000 2.215 125 Q HA 0.113 4.292 4.340 -0.269 0.000 0.257 125 Q C 0.978 176.751 176.000 -0.379 0.000 0.792 125 Q CA 0.113 55.729 55.803 -0.312 0.000 0.958 125 Q CB 1.402 29.914 28.738 -0.377 0.000 1.158 125 Q HN -0.407 7.645 8.270 -0.131 0.139 0.490 126 Y N 3.500 123.707 120.300 -0.154 0.000 3.180 126 Y HA -0.308 4.144 4.550 -0.164 0.000 0.386 126 Y C 0.599 176.363 175.900 -0.227 0.000 1.054 126 Y CA 0.232 58.211 58.100 -0.201 0.000 2.020 126 Y CB -2.571 35.730 38.460 -0.265 0.000 2.171 126 Y HN -0.285 7.885 8.280 -0.182 0.000 0.415 127 G N 1.975 110.720 108.800 -0.092 0.000 2.685 127 G HA2 -0.453 3.554 3.960 -0.090 0.000 0.329 127 G HA3 -0.453 3.446 3.960 -0.102 0.000 0.329 127 G C 0.258 175.086 174.900 -0.121 0.000 1.271 127 G CA -0.223 44.816 45.100 -0.101 0.000 1.003 127 G HN 0.057 8.176 8.290 -0.136 0.089 0.549 128 G N 1.342 110.030 108.800 -0.186 0.000 2.641 128 G HA2 -0.176 3.775 3.960 -0.014 0.000 0.278 128 G HA3 -0.176 3.636 3.960 -0.246 0.000 0.278 128 G C -1.521 173.311 174.900 -0.113 0.000 0.655 128 G CA 0.643 45.653 45.100 -0.152 0.000 2.105 128 G HN 0.185 8.337 8.290 -0.230 0.000 0.558 129 V N -0.035 119.853 119.914 -0.044 0.000 2.915 129 V HA 0.031 4.183 4.120 0.054 0.000 0.273 129 V C -2.261 173.863 176.094 0.050 0.000 1.538 129 V CA -0.834 61.473 62.300 0.012 0.000 0.946 129 V CB 3.711 35.499 31.823 -0.058 0.000 1.183 129 V HN -0.440 7.686 8.190 -0.040 0.040 0.446 130 R N 8.142 128.670 120.500 0.046 0.000 2.438 130 R HA 0.227 4.578 4.340 0.018 0.000 0.287 130 R C -1.735 174.543 176.300 -0.037 0.000 1.077 130 R CA -1.708 54.398 56.100 0.009 0.000 1.034 130 R CB 0.320 30.613 30.300 -0.012 0.000 0.993 130 R HN 0.166 8.464 8.270 0.046 0.000 0.459 131 P HA -0.049 4.364 4.420 -0.012 0.000 0.271 131 P C -1.287 175.893 177.300 -0.201 0.000 1.244 131 P CA -0.218 62.847 63.100 -0.058 0.000 0.793 131 P CB 0.600 32.311 31.700 0.020 0.000 0.984 132 Y N -1.054 119.179 120.300 -0.111 0.000 2.531 132 Y HA -0.059 4.576 4.550 -0.130 -0.164 0.347 132 Y C 1.512 177.380 175.900 -0.054 0.000 1.024 132 Y CA 0.947 58.972 58.100 -0.124 0.000 1.306 132 Y CB -0.208 38.145 38.460 -0.179 0.000 1.149 132 Y HN 0.278 8.586 8.280 0.048 0.000 0.527 133 G N 5.654 114.498 108.800 0.074 0.000 3.101 133 G HA2 -0.002 3.994 3.960 0.061 0.000 0.272 133 G HA3 -0.002 3.984 3.960 0.044 0.000 0.272 133 G C -2.694 172.243 174.900 0.061 0.000 0.801 133 G CA 0.145 45.281 45.100 0.060 0.000 1.978 133 G HN 0.851 9.475 8.290 0.035 -0.314 0.591 134 V N 1.917 121.870 119.914 0.065 0.000 3.167 134 V HA 0.693 4.965 4.120 0.020 -0.140 0.293 134 V C -3.142 172.962 176.094 0.017 0.000 1.379 134 V CA -1.390 60.929 62.300 0.033 0.000 1.019 134 V CB 3.956 35.796 31.823 0.028 0.000 1.115 134 V HN -0.381 7.816 8.190 0.080 0.041 0.442 135 S N 3.246 118.940 115.700 -0.010 0.000 2.570 135 S HA 0.881 5.466 4.470 -0.005 -0.118 0.286 135 S C -1.997 172.558 174.600 -0.075 0.000 1.099 135 S CA -1.314 56.873 58.200 -0.023 0.000 0.913 135 S CB 2.997 66.188 63.200 -0.016 0.000 1.085 135 S HN 0.328 8.627 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 -0.067 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 -0.158 -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 55.903 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 0.261 0.110 0.470 139 A N 0.857 123.858 122.820 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 0.254 0.000 0.696 139 A CB 4.000 23.109 19.000 0.182 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 0.194 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 52.060 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 8.799 8.370 0.049 0.103 0.633 143 Q N -0.971 118.819 119.800 -0.017 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 58.285 55.803 -0.021 0.000 0.862 143 Q CB -0.028 28.689 28.738 -0.035 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 0.002 0.000 0.259 144 I C 0.467 176.588 176.117 0.006 0.000 1.172 144 I CA 0.768 62.073 61.300 0.008 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 0.007 -0.293 0.439 145 G N -2.804 106.001 108.800 0.009 0.000 2.293 145 G HA2 -0.123 3.834 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 -3.305 171.589 174.900 -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 -1.728 175.539 177.300 -0.055 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 0.131 0.000 1.207 147 R HN 1.048 9.214 8.270 0.005 0.108 0.463 148 L N 2.471 123.526 121.223 -0.280 0.000 2.406 148 L HA 0.680 5.175 4.340 0.007 -0.151 0.272 148 L C -2.355 174.281 176.870 -0.389 0.000 0.980 148 L CA -0.549 54.181 54.840 -0.183 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 -0.485 -0.179 0.406 149 F N 5.493 125.555 119.950 0.186 0.000 2.603 149 F HA 1.036 5.947 4.527 0.293 -0.208 0.317 149 F C -1.236 174.682 175.800 0.197 0.000 1.066 149 F CA -1.897 56.249 58.000 0.243 0.000 0.941 149 F CB 4.808 43.958 39.000 0.250 0.000 1.291 149 F HN 1.055 9.544 8.300 0.316 0.000 0.472 150 D N -0.474 120.175 120.400 0.416 0.000 2.547 150 D HA 0.642 5.490 4.640 0.100 -0.148 0.231 150 D C -1.862 174.589 176.300 0.252 0.000 1.099 150 D CA -1.512 52.605 54.000 0.194 0.000 0.901 150 D CB 3.858 44.647 40.800 -0.019 0.000 1.478 150 D HN 0.305 9.003 8.370 0.548 0.000 0.471 151 C N -0.019 119.371 119.300 0.150 0.000 2.782 151 C HA 0.868 5.670 4.460 0.165 -0.242 0.328 151 C C -2.068 172.969 174.990 0.079 0.000 1.145 151 C CA -2.151 56.958 59.018 0.152 0.000 1.358 151 C CB 3.477 31.351 27.740 0.224 0.000 1.841 151 C HN 0.888 9.154 8.230 0.061 0.000 0.477 152 D N 5.833 126.279 120.400 0.077 0.000 2.442 152 D HA 0.783 5.446 4.640 0.038 0.000 0.254 152 D C -1.125 175.207 176.300 0.053 0.000 1.069 152 D CA -2.950 51.082 54.000 0.053 0.000 1.017 152 D CB -0.374 40.458 40.800 0.054 0.000 1.172 152 D HN 0.002 8.428 8.370 0.093 0.000 0.561 153 P HA -0.156 4.311 4.420 0.077 0.000 0.223 153 P C -0.601 176.736 177.300 0.061 0.000 1.144 153 P CA 1.822 64.961 63.100 0.064 0.000 0.783 153 P CB 0.123 31.859 31.700 0.061 0.000 0.771 154 A N -6.977 115.871 122.820 0.047 0.000 2.167 154 A HA -0.074 4.264 4.320 0.030 0.000 0.214 154 A C 0.437 178.049 177.584 0.046 0.000 1.151 154 A CA 0.290 52.349 52.037 0.037 0.000 0.735 154 A CB 0.047 19.062 19.000 0.026 0.000 0.802 154 A HN -0.129 8.238 8.150 0.045 -0.190 0.467 155 G N -3.046 105.786 108.800 0.054 0.000 2.157 155 G HA2 -0.333 3.658 3.960 0.051 0.000 0.239 155 G HA3 -0.333 3.656 3.960 0.049 0.000 0.239 155 G C -0.308 174.626 174.900 0.056 0.000 0.982 155 G CA 0.054 45.185 45.100 0.052 0.000 0.650 155 G HN 0.165 8.385 8.290 0.057 0.104 0.527 156 T N 3.144 117.735 114.554 0.062 0.000 2.884 156 T HA 0.020 4.406 4.350 0.060 0.000 0.298 156 T C -1.362 173.399 174.700 0.103 0.000 0.998 156 T CA 1.428 63.570 62.100 0.071 0.000 1.124 156 T CB 0.787 69.695 68.868 0.066 0.000 0.931 156 T HN -0.034 8.445 8.240 0.060 -0.203 0.531 157 I N 4.466 125.103 120.570 0.112 0.000 2.582 157 I HA 0.784 5.309 4.170 0.214 -0.226 0.292 157 I C -2.317 173.921 176.117 0.203 0.000 1.066 157 I CA -2.583 58.820 61.300 0.171 0.000 1.053 157 I CB 3.644 41.712 38.000 0.113 0.000 1.241 157 I HN 0.154 8.417 8.210 0.088 0.000 0.421 158 N N 7.381 126.267 118.700 0.310 0.000 2.331 158 N HA 0.256 5.088 4.740 0.153 0.000 0.280 158 N C -2.742 172.920 175.510 0.254 0.000 1.155 158 N CA -0.589 52.582 53.050 0.202 0.000 0.822 158 N CB 4.012 42.490 38.487 -0.015 0.000 1.619 158 N HN 0.059 8.789 8.380 0.396 -0.113 0.476 159 E N 0.743 120.922 120.200 -0.034 0.000 2.216 159 E HA 0.563 4.824 4.350 -0.482 -0.199 0.279 159 E C -1.136 175.246 176.600 -0.363 0.000 0.997 159 E CA -0.980 55.209 56.400 -0.352 0.000 0.817 159 E CB 1.902 31.278 29.700 -0.540 0.000 1.096 159 E HN 0.192 8.512 8.360 -0.067 0.000 0.393 160 Y N 4.629 124.758 120.300 -0.285 0.000 2.650 160 Y HA 0.134 4.588 4.550 -0.160 0.000 0.331 160 Y C -0.559 175.209 175.900 -0.219 0.000 1.082 160 Y CA -0.537 57.442 58.100 -0.203 0.000 1.171 160 Y CB 2.045 40.404 38.460 -0.168 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 56.916 56.287 -0.133 0.000 0.988 161 K CB 1.078 33.499 32.500 -0.132 0.000 0.880 161 K HN 0.324 8.577 8.250 0.006 0.000 0.513 162 A N -4.250 118.411 122.820 -0.265 0.000 2.590 162 A HA 0.419 4.741 4.320 -0.227 -0.137 0.296 162 A C -1.885 175.576 177.584 -0.205 0.000 1.050 162 A CA -0.140 51.704 52.037 -0.321 0.000 0.697 162 A CB 1.751 20.343 19.000 -0.679 0.000 1.277 162 A HN -0.720 7.376 8.150 -0.091 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 -2.584 171.949 174.700 -0.279 0.000 1.667 163 T CA -1.087 60.800 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 0.829 8.933 8.240 -0.225 0.000 0.496 164 A N 0.239 122.902 122.820 -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 50.599 52.037 -0.183 0.000 0.695 164 A CB 3.112 22.037 19.000 -0.124 0.000 1.290 164 A HN 0.127 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 -0.114 0.000 0.486 166 G N 2.969 111.738 108.800 -0.050 0.000 2.445 166 G HA2 -0.366 3.709 3.960 -0.031 0.000 0.212 166 G HA3 -0.366 3.864 3.960 -0.043 -0.296 0.212 166 G C 0.124 175.010 174.900 -0.023 0.000 1.217 166 G CA 0.287 45.365 45.100 -0.037 0.000 1.002 166 G HN -0.291 7.973 8.290 -0.045 0.000 0.574 167 S N 3.706 119.394 115.700 -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 -0.010 0.000 1.025 167 S CB 0.121 63.315 63.200 -0.009 0.000 0.996 167 S HN -0.001 8.176 8.310 -0.024 0.119 0.422 168 G N 0.068 108.862 108.800 -0.011 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 -0.004 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 -0.038 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 -0.012 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 -0.266 122.576 122.820 0.037 0.000 1.828 171 A HA -0.154 4.204 4.320 0.063 0.000 0.215 171 A C 2.170 179.806 177.584 0.085 0.000 1.203 171 A CA 2.721 54.793 52.037 0.058 0.000 0.614 171 A CB -0.799 18.231 19.000 0.051 0.000 0.844 171 A HN -0.226 7.930 8.150 0.026 0.010 0.445 172 V N 0.323 120.269 119.914 0.053 0.000 2.324 172 V HA -0.335 3.829 4.120 0.075 0.000 0.250 172 V C 1.791 177.917 176.094 0.053 0.000 1.060 172 V CA 2.713 65.034 62.300 0.036 0.000 1.042 172 V CB -0.492 31.307 31.823 -0.041 0.000 0.650 172 V HN -0.348 7.858 8.190 0.027 0.000 0.450 173 V N -0.596 119.336 119.914 0.030 0.000 2.332 173 V HA -0.479 3.643 4.120 0.005 0.000 0.248 173 V C 1.169 177.315 176.094 0.087 0.000 1.055 173 V CA 4.204 66.523 62.300 0.032 0.000 1.038 173 V CB -0.788 31.042 31.823 0.013 0.000 0.651 173 V HN 0.733 8.927 8.190 0.017 0.007 0.450 174 S N 0.424 116.185 115.700 0.103 0.000 2.368 174 S HA -0.285 4.239 4.470 0.090 0.000 0.224 174 S C 2.151 176.856 174.600 0.176 0.000 1.029 174 S CA 3.791 62.057 58.200 0.111 0.000 0.988 174 S CB -0.469 62.780 63.200 0.080 0.000 0.838 174 S HN -0.500 7.772 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 7.993 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 0.412 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 0.154 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 0.177 0.000 2.403 179 E HA -0.018 4.397 4.350 0.107 0.000 0.188 179 E C -0.377 176.373 176.600 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 0.234 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 0.087 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 -0.340 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 -0.047 0.000 0.901 182 E HN 0.656 8.808 8.360 -0.347 0.000 0.537 183 N N -0.845 117.824 118.700 -0.052 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 0.023 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 0.030 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 -0.034 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 62.980 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 0.106 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 1.202 123.952 122.820 -0.117 0.000 1.877 189 A HA -0.237 4.069 4.320 -0.024 0.000 0.216 189 A C 1.813 179.332 177.584 -0.108 0.000 1.186 189 A CA 3.232 55.212 52.037 -0.096 0.000 0.620 189 A CB -0.379 18.528 19.000 -0.155 0.000 0.822 189 A HN 0.017 7.981 8.150 -0.177 0.080 0.443 190 V N -2.054 117.735 119.914 -0.208 0.000 2.392 190 V HA -0.432 3.535 4.120 -0.254 0.000 0.249 190 V C 1.329 177.319 176.094 -0.174 0.000 1.059 190 V CA 2.928 65.058 62.300 -0.282 0.000 1.051 190 V CB -0.723 30.765 31.823 -0.558 0.000 0.658 190 V HN 0.396 8.427 8.190 -0.266 0.000 0.455 191 T N 3.605 118.134 114.554 -0.043 0.000 2.595 191 T HA -0.462 3.950 4.350 0.104 0.000 0.264 191 T C 1.632 176.328 174.700 -0.008 0.000 1.058 191 T CA 5.466 67.599 62.100 0.054 0.000 1.166 191 T CB -0.219 68.720 68.868 0.119 0.000 0.863 191 T HN -0.766 7.381 8.240 -0.025 0.078 0.415 192 L N 0.907 122.124 121.223 -0.010 0.000 2.064 192 L HA -0.454 3.895 4.340 0.016 0.000 0.216 192 L C 1.814 178.588 176.870 -0.161 0.000 1.077 192 L CA 3.218 58.041 54.840 -0.029 0.000 0.766 192 L CB -0.652 41.420 42.059 0.023 0.000 0.890 192 L HN 0.156 8.386 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 -0.117 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 37.852 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 -0.029 120.301 120.400 -0.117 0.000 2.001 195 K HA -0.386 3.938 4.320 0.007 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 8.458 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 -1.070 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 32.470 32.500 0.023 0.000 0.732 198 K HN -0.021 8.115 8.250 -0.078 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 0.098 0.000 1.077 199 S CA 3.416 61.702 58.200 0.144 0.000 1.159 199 S CB -0.759 62.634 63.200 0.321 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 63.482 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 2.040 178.918 176.870 0.013 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 0.023 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 0.015 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 0.013 0.000 3.496 204 G HA2 0.032 3.998 3.960 0.010 0.000 0.273 204 G HA3 0.032 3.997 3.960 0.008 0.000 0.273 204 G C -0.787 174.120 174.900 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 -0.509 119.700 120.200 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 0.016 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 0.014 0.000 0.260 206 E C 0.506 177.112 176.600 0.010 0.000 1.016 206 E CA 0.228 56.635 56.400 0.012 0.000 0.924 206 E CB 0.193 29.899 29.700 0.010 0.000 0.961 206 E HN -0.206 8.123 8.360 0.011 0.037 0.459 207 L N 7.538 128.768 121.223 0.012 0.000 2.395 207 L HA -0.158 4.363 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 8.499 8.230 0.015 0.000 0.451 208 K N -4.440 115.966 120.400 0.009 0.000 1.860 208 K HA -0.315 4.011 4.320 0.010 0.000 0.320 208 K C -1.549 175.058 176.600 0.012 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 2.100 124.926 122.820 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 0.014 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 -1.678 175.605 177.300 -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 -0.024 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 32.404 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 5.532 126.028 120.570 -0.124 0.000 2.686 212 I HA 0.786 4.985 4.170 -0.214 -0.158 0.295 212 I C -2.946 173.028 176.117 -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 8.804 8.150 -0.185 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 0.287 -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 -0.844 119.574 120.570 -0.253 0.000 2.894 215 I HA 0.399 4.419 4.170 -0.250 0.000 0.302 215 I C -2.682 173.305 176.117 -0.215 0.000 1.188 215 I CA -1.330 59.709 61.300 -0.435 0.000 1.014 215 I CB 4.170 41.494 38.000 -1.127 0.000 1.242 215 I HN 0.324 8.426 8.210 -0.179 0.000 0.430 216 T N 5.308 119.783 114.554 -0.133 0.000 2.893 216 T HA 0.312 4.673 4.350 -0.131 -0.090 0.293 216 T C -1.283 173.378 174.700 -0.066 0.000 1.027 216 T CA -1.913 60.149 62.100 -0.064 0.000 0.988 216 T CB 1.844 70.755 68.868 0.072 0.000 1.043 216 T HN 0.337 8.490 8.240 -0.145 0.000 0.461 217 V N 7.515 127.395 119.914 -0.057 0.000 2.790 217 V HA -0.520 3.596 4.120 -0.008 0.000 0.304 217 V C 0.831 176.931 176.094 0.011 0.000 1.142 217 V CA 2.744 65.034 62.300 -0.017 0.000 1.282 217 V CB 0.636 32.450 31.823 -0.015 0.000 0.877 217 V HN 0.603 8.637 8.190 -0.075 0.110 0.504 218 G N 5.435 114.260 108.800 0.042 0.000 2.254 218 G HA2 -0.249 3.749 3.960 0.063 0.000 0.225 218 G HA3 -0.249 3.731 3.960 0.034 0.000 0.225 218 G C -1.375 173.559 174.900 0.057 0.000 1.003 218 G CA -0.242 44.888 45.100 0.051 0.000 0.622 218 G HN 0.480 8.810 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 0.266 0.000 2.476 222 R HA 0.406 4.825 4.340 0.132 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 0.194 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 7.168 127.856 120.570 0.197 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 0.249 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 0.097 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 0.025 0.000 1.419 224 Y CB 0.213 38.674 38.460 0.001 0.000 1.250 224 Y HN 0.041 8.618 8.280 0.496 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 0.083 0.000 0.925 225 D CB 1.711 42.533 40.800 0.036 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 3.882 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 0.070 0.000 0.890 226 Q CB 0.039 28.804 28.738 0.045 0.000 0.966 226 Q HN 0.652 8.958 8.270 0.060 0.000 0.412 227 E N -2.519 117.719 120.200 0.064 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 0.089 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 -0.278 119.991 120.200 0.115 0.000 2.058 228 E HA -0.324 4.107 4.350 0.134 0.000 0.194 228 E C 2.344 179.207 176.600 0.438 0.000 0.997 228 E CA 2.696 59.217 56.400 0.201 0.000 0.801 228 E CB 0.022 29.788 29.700 0.111 0.000 0.746 228 E HN -0.791 7.831 8.360 0.090 -0.208 0.450 229 V N -0.001 120.143 119.914 0.383 0.000 2.358 229 V HA -0.381 4.064 4.120 0.542 0.000 0.246 229 V C 1.268 177.555 176.094 0.323 0.000 1.047 229 V CA 3.464 65.998 62.300 0.390 0.000 1.035 229 V CB -0.226 31.715 31.823 0.197 0.000 0.658 229 V HN -0.105 8.253 8.190 0.278 0.000 0.452 230 K N -0.784 119.728 120.400 0.187 0.000 2.281 230 K HA -0.318 4.064 4.320 0.103 0.000 0.203 230 K C 1.970 178.618 176.600 0.081 0.000 1.046 230 K CA 2.817 59.170 56.287 0.111 0.000 0.938 230 K CB -0.467 32.072 32.500 0.066 0.000 0.737 230 K HN -0.237 8.110 8.250 0.162 0.000 0.458 231 K N -2.027 118.414 120.400 0.069 0.000 2.097 231 K HA -0.197 4.056 4.320 -0.112 0.000 0.205 231 K C 1.502 177.954 176.600 -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 0.019 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 0.101 0.000 0.249 233 L CA 0.000 54.903 54.840 0.106 0.000 0.813 233 L CB 0.000 42.112 42.059 0.088 0.000 0.961 233 L HN 0.000 8.238 8.230 0.221 0.125 0.502