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 1m3u_1_C DATA FIRST_RESID 3 DATA SEQUENCE PTTISLLQKY KQEKKRFATI TAYDYSFAKL FADEGLNVML VGDSLGMTVQ DATA SEQUENCE GHDSTLPVTV ADIAYHTAAV RRGAPNCLLL ADLPFMAYAT PEQAFENAAT DATA SEQUENCE VMRAGANMVK IEGGEWLVET VQMLTERAVP VCGHLGLTPQ SVNIFGGYKV DATA SEQUENCE QGRGDEAGDQ LLSDALALEA AGAQLLVLEC VPVELAKRIT EALAIPVIGI DATA SEQUENCE GAGNVTDGQI LVMHDAFGIT GGHIPKFAKN FLAETGDIRA AVRQYMAEVE DATA SEQUENCE SGVYPGEEHS FH 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 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 3 P C 0.000 177.275 177.300 -0.042 0.000 1.155 3 P CA 0.000 63.085 63.100 -0.026 0.000 0.800 3 P CB 0.000 31.687 31.700 -0.022 0.000 0.726 4 T N 1.866 116.395 114.554 -0.042 0.000 2.814 4 T HA 0.585 4.936 4.350 0.002 0.000 0.297 4 T C 0.259 174.910 174.700 -0.083 0.000 0.956 4 T CA 0.105 62.163 62.100 -0.069 0.000 1.123 4 T CB 0.310 69.147 68.868 -0.051 0.000 0.902 4 T HN 0.637 8.877 8.240 -0.000 0.000 0.528 5 T N 0.181 114.663 114.554 -0.120 0.000 2.907 5 T HA 0.484 4.835 4.350 0.002 0.000 0.290 5 T C 1.249 175.856 174.700 -0.156 0.000 1.066 5 T CA -0.931 61.101 62.100 -0.114 0.000 1.012 5 T CB 1.048 69.856 68.868 -0.101 0.000 1.184 5 T HN 0.223 8.463 8.240 -0.000 0.000 0.522 6 I N 1.293 121.790 120.570 -0.122 0.000 2.335 6 I HA -0.116 4.055 4.170 0.002 0.000 0.251 6 I C 2.305 178.326 176.117 -0.160 0.000 1.129 6 I CA 1.690 62.912 61.300 -0.130 0.000 1.402 6 I CB -0.857 37.095 38.000 -0.081 0.000 1.069 6 I HN 0.754 8.964 8.210 -0.000 0.000 0.424 7 S N 0.531 116.144 115.700 -0.145 0.000 2.374 7 S HA -0.218 4.253 4.470 0.002 0.000 0.227 7 S C 1.893 176.356 174.600 -0.227 0.000 1.037 7 S CA 1.768 59.879 58.200 -0.148 0.000 1.024 7 S CB -0.774 62.355 63.200 -0.119 0.000 0.861 7 S HN 0.540 8.850 8.310 -0.000 0.000 0.456 8 L N 1.728 122.764 121.223 -0.311 0.000 2.083 8 L HA 0.012 4.354 4.340 0.002 0.000 0.209 8 L C 1.945 178.350 176.870 -0.776 0.000 1.083 8 L CA 1.525 56.046 54.840 -0.532 0.000 0.752 8 L CB -0.494 41.242 42.059 -0.538 0.000 0.899 8 L HN 0.288 8.518 8.230 -0.000 0.000 0.433 9 L N -1.263 119.605 121.223 -0.592 0.000 2.093 9 L HA -0.174 4.167 4.340 0.002 0.000 0.208 9 L C 2.572 179.295 176.870 -0.245 0.000 1.085 9 L CA 1.130 55.613 54.840 -0.594 0.000 0.755 9 L CB -0.664 41.052 42.059 -0.570 0.000 0.904 9 L HN 0.343 8.573 8.230 -0.000 0.000 0.435 10 Q N 0.837 120.532 119.800 -0.175 0.000 2.084 10 Q HA -0.209 4.132 4.340 0.002 0.000 0.202 10 Q C 2.412 178.387 176.000 -0.040 0.000 0.978 10 Q CA 2.228 57.993 55.803 -0.063 0.000 0.844 10 Q CB -0.161 28.540 28.738 -0.062 0.000 0.898 10 Q HN 0.157 8.427 8.270 -0.000 0.000 0.426 11 K N -0.875 119.459 120.400 -0.110 0.000 2.063 11 K HA -0.169 4.152 4.320 0.002 0.000 0.208 11 K C 2.097 178.745 176.600 0.080 0.000 1.048 11 K CA 1.781 58.033 56.287 -0.058 0.000 0.928 11 K CB -0.947 31.467 32.500 -0.144 0.000 0.713 11 K HN 0.709 8.959 8.250 -0.000 0.000 0.442 12 Y N 0.246 120.532 120.300 -0.022 0.000 2.224 12 Y HA -0.158 4.393 4.550 0.002 0.000 0.289 12 Y C 2.701 178.655 175.900 0.089 0.000 1.146 12 Y CA 1.593 59.714 58.100 0.036 0.000 1.182 12 Y CB -0.095 38.393 38.460 0.046 0.000 0.983 12 Y HN 0.257 8.537 8.280 -0.000 0.000 0.524 13 K N 0.247 120.800 120.400 0.255 0.000 2.057 13 K HA -0.214 4.107 4.320 0.002 0.000 0.207 13 K C 1.989 178.655 176.600 0.110 0.000 1.049 13 K CA 1.389 57.784 56.287 0.180 0.000 0.931 13 K CB 0.033 32.620 32.500 0.146 0.000 0.714 13 K HN 0.154 8.404 8.250 -0.000 0.000 0.440 14 Q N 0.687 120.540 119.800 0.089 0.000 2.170 14 Q HA -0.146 4.195 4.340 0.002 0.000 0.203 14 Q C 1.327 177.364 176.000 0.062 0.000 0.976 14 Q CA 1.450 57.288 55.803 0.059 0.000 0.858 14 Q CB 0.069 28.831 28.738 0.040 0.000 0.907 14 Q HN 0.536 8.806 8.270 -0.000 0.000 0.433 15 E N 0.420 120.672 120.200 0.088 0.000 2.478 15 E HA 0.020 4.371 4.350 0.002 0.000 0.194 15 E C -0.226 176.407 176.600 0.055 0.000 1.045 15 E CA -0.183 56.261 56.400 0.073 0.000 0.868 15 E CB 0.186 29.945 29.700 0.098 0.000 0.885 15 E HN 0.194 8.554 8.360 -0.000 0.000 0.505 16 K N 1.044 121.483 120.400 0.065 0.000 3.071 16 K HA -0.206 4.115 4.320 0.002 0.000 0.265 16 K C -0.150 176.462 176.600 0.020 0.000 1.060 16 K CA 0.488 56.800 56.287 0.041 0.000 0.767 16 K CB -1.188 31.324 32.500 0.021 0.000 1.241 16 K HN 0.027 8.277 8.250 -0.000 0.000 0.486 17 K N 1.970 122.391 120.400 0.035 0.000 2.266 17 K HA 0.163 4.484 4.320 0.002 0.000 0.274 17 K C -0.292 176.297 176.600 -0.019 0.000 1.090 17 K CA -0.428 55.833 56.287 -0.044 0.000 0.925 17 K CB 0.486 32.901 32.500 -0.142 0.000 1.225 17 K HN 0.097 8.347 8.250 -0.000 0.000 0.458 18 R N 3.327 123.790 120.500 -0.061 0.000 2.489 18 R HA 0.081 4.422 4.340 0.002 0.000 0.287 18 R C -0.227 176.004 176.300 -0.116 0.000 1.053 18 R CA 0.176 56.203 56.100 -0.121 0.000 1.036 18 R CB 0.201 30.411 30.300 -0.150 0.000 0.966 18 R HN 0.401 8.671 8.270 -0.000 0.000 0.432 19 F N -0.151 119.727 119.950 -0.119 0.000 2.561 19 F HA 0.772 5.300 4.527 0.002 0.000 0.321 19 F C -0.627 175.099 175.800 -0.124 0.000 1.065 19 F CA -1.533 56.387 58.000 -0.132 0.000 0.934 19 F CB 1.296 40.293 39.000 -0.006 0.000 1.215 19 F HN 0.417 8.717 8.300 -0.000 0.000 0.471 20 A N 1.628 124.449 122.820 0.002 0.000 2.306 20 A HA 0.785 5.106 4.320 0.002 0.000 0.314 20 A C -0.171 177.462 177.584 0.082 0.000 1.164 20 A CA 0.036 51.967 52.037 -0.177 0.000 0.822 20 A CB 0.653 19.280 19.000 -0.622 0.000 1.130 20 A HN 1.184 9.334 8.150 -0.000 0.000 0.496 21 T N -0.890 113.745 114.554 0.135 0.000 2.883 21 T HA 0.742 5.093 4.350 0.002 0.000 0.296 21 T C -0.835 173.941 174.700 0.128 0.000 1.117 21 T CA -0.517 61.671 62.100 0.148 0.000 1.006 21 T CB 1.215 70.184 68.868 0.169 0.000 1.191 21 T HN 1.038 9.278 8.240 -0.000 0.000 0.508 22 I N 1.283 121.856 120.570 0.004 0.000 2.913 22 I HA 0.576 4.747 4.170 0.002 0.000 0.302 22 I C 0.073 176.120 176.117 -0.117 0.000 1.246 22 I CA -0.213 61.004 61.300 -0.138 0.000 1.010 22 I CB 2.556 40.303 38.000 -0.422 0.000 1.259 22 I HN 1.136 9.346 8.210 -0.000 0.000 0.434 23 T N 3.326 117.793 114.554 -0.144 0.000 2.868 23 T HA 0.886 5.237 4.350 0.002 0.000 0.292 23 T C -0.287 174.248 174.700 -0.275 0.000 1.028 23 T CA -0.040 61.935 62.100 -0.209 0.000 1.059 23 T CB 1.346 70.097 68.868 -0.195 0.000 0.991 23 T HN 1.139 9.379 8.240 -0.000 0.000 0.531 24 A N 1.350 123.856 122.820 -0.523 0.000 2.589 24 A HA 0.642 4.963 4.320 0.002 0.000 0.296 24 A C -1.063 176.187 177.584 -0.557 0.000 1.062 24 A CA -1.020 50.800 52.037 -0.363 0.000 0.686 24 A CB 0.791 19.861 19.000 0.115 0.000 1.282 24 A HN 0.927 9.077 8.150 -0.000 0.000 0.404 25 Y N 0.181 120.597 120.300 0.192 0.000 2.666 25 Y HA 0.321 4.872 4.550 0.002 0.000 0.260 25 Y C 0.000 176.088 175.900 0.312 0.000 1.089 25 Y CA -0.077 58.144 58.100 0.202 0.000 1.246 25 Y CB 0.823 39.309 38.460 0.044 0.000 1.353 25 Y HN 0.827 9.107 8.280 -0.000 0.000 0.558 26 D N -3.461 117.134 120.400 0.326 0.000 2.615 26 D HA 0.083 4.724 4.640 0.002 0.000 0.267 26 D C 0.330 176.739 176.300 0.182 0.000 1.236 26 D CA -0.942 53.219 54.000 0.269 0.000 0.839 26 D CB 0.400 41.394 40.800 0.323 0.000 1.380 26 D HN -0.106 8.264 8.370 -0.000 0.000 0.433 27 Y N 1.119 121.437 120.300 0.031 0.000 2.165 27 Y HA -0.162 4.389 4.550 0.002 0.000 0.286 27 Y C 1.990 177.850 175.900 -0.065 0.000 1.155 27 Y CA 2.306 60.394 58.100 -0.019 0.000 1.164 27 Y CB -0.283 38.157 38.460 -0.033 0.000 0.978 27 Y HN 0.393 8.673 8.280 -0.000 0.000 0.513 28 S N 0.085 115.756 115.700 -0.049 0.000 2.355 28 S HA -0.150 4.321 4.470 0.002 0.000 0.222 28 S C 1.748 176.034 174.600 -0.523 0.000 1.031 28 S CA 1.609 59.630 58.200 -0.297 0.000 0.993 28 S CB -0.682 62.388 63.200 -0.217 0.000 0.859 28 S HN 0.491 8.801 8.310 -0.000 0.000 0.453 29 F N 1.740 121.475 119.950 -0.358 0.000 2.206 29 F HA 0.026 4.554 4.527 0.002 0.000 0.298 29 F C 2.551 177.758 175.800 -0.988 0.000 1.090 29 F CA 0.697 58.263 58.000 -0.724 0.000 1.323 29 F CB -0.639 38.006 39.000 -0.590 0.000 1.028 29 F HN 0.161 8.461 8.300 -0.000 0.000 0.492 30 A N 0.010 122.620 122.820 -0.350 0.000 1.908 30 A HA -0.275 4.046 4.320 0.002 0.000 0.218 30 A C 2.222 179.656 177.584 -0.250 0.000 1.181 30 A CA 2.095 54.013 52.037 -0.199 0.000 0.627 30 A CB -0.751 18.208 19.000 -0.069 0.000 0.818 30 A HN 0.363 8.513 8.150 -0.000 0.000 0.445 31 K N -0.602 119.547 120.400 -0.418 0.000 2.057 31 K HA -0.034 4.287 4.320 0.002 0.000 0.206 31 K C 2.017 178.452 176.600 -0.275 0.000 1.050 31 K CA 1.234 57.284 56.287 -0.395 0.000 0.935 31 K CB -0.292 31.817 32.500 -0.652 0.000 0.715 31 K HN 0.449 8.699 8.250 -0.000 0.000 0.439 32 L N 0.574 121.582 121.223 -0.359 0.000 2.012 32 L HA -0.214 4.127 4.340 0.002 0.000 0.210 32 L C 2.076 178.926 176.870 -0.034 0.000 1.073 32 L CA 1.476 56.163 54.840 -0.255 0.000 0.748 32 L CB -0.318 41.505 42.059 -0.393 0.000 0.891 32 L HN 0.139 8.369 8.230 -0.000 0.000 0.431 33 F N 0.221 120.170 119.950 -0.002 0.000 2.102 33 F HA -0.185 4.343 4.527 0.002 0.000 0.298 33 F C 2.696 178.499 175.800 0.005 0.000 1.105 33 F CA 0.875 58.896 58.000 0.035 0.000 1.239 33 F CB -1.730 37.313 39.000 0.071 0.000 0.991 33 F HN 0.175 8.475 8.300 -0.000 0.000 0.474 34 A N 0.196 123.108 122.820 0.153 0.000 1.908 34 A HA -0.199 4.122 4.320 0.002 0.000 0.218 34 A C 1.983 179.589 177.584 0.036 0.000 1.181 34 A CA 2.058 54.136 52.037 0.069 0.000 0.627 34 A CB -0.949 18.061 19.000 0.017 0.000 0.818 34 A HN 0.298 8.448 8.150 -0.000 0.000 0.445 35 D N -0.141 120.261 120.400 0.004 0.000 2.218 35 D HA -0.094 4.547 4.640 0.002 0.000 0.204 35 D C 1.441 177.750 176.300 0.015 0.000 0.976 35 D CA 0.989 54.985 54.000 -0.007 0.000 0.853 35 D CB -0.155 40.622 40.800 -0.038 0.000 0.939 35 D HN 0.431 8.801 8.370 -0.000 0.000 0.481 36 E N -0.537 119.692 120.200 0.047 0.000 2.489 36 E HA 0.155 4.506 4.350 0.002 0.000 0.193 36 E C 1.350 177.975 176.600 0.043 0.000 1.057 36 E CA 0.390 56.820 56.400 0.050 0.000 0.866 36 E CB 0.456 30.205 29.700 0.082 0.000 0.916 36 E HN 0.293 8.653 8.360 -0.000 0.000 0.500 37 G N 1.624 110.453 108.800 0.048 0.000 2.132 37 G HA2 -0.258 3.703 3.960 0.002 0.000 0.234 37 G HA3 -0.258 3.703 3.960 0.002 0.000 0.234 37 G C -0.105 174.821 174.900 0.044 0.000 0.989 37 G CA 0.247 45.370 45.100 0.038 0.000 0.676 37 G HN 0.221 8.511 8.290 -0.000 0.000 0.522 38 L N 1.112 122.377 121.223 0.071 0.000 2.302 38 L HA 0.606 4.947 4.340 0.002 0.000 0.285 38 L C 0.417 177.339 176.870 0.086 0.000 1.090 38 L CA -0.750 54.126 54.840 0.060 0.000 0.866 38 L CB 0.234 42.317 42.059 0.040 0.000 1.244 38 L HN 0.102 8.332 8.230 -0.000 0.000 0.435 39 N N 3.513 122.251 118.700 0.064 0.000 2.204 39 N HA 0.152 4.893 4.740 0.002 0.000 0.219 39 N C -0.837 174.699 175.510 0.043 0.000 1.151 39 N CA 0.132 53.215 53.050 0.055 0.000 0.867 39 N CB 1.165 39.673 38.487 0.035 0.000 1.043 39 N HN 0.316 8.696 8.380 -0.000 0.000 0.516 40 V N 1.910 121.857 119.914 0.055 0.000 2.407 40 V HA 0.479 4.600 4.120 0.002 0.000 0.291 40 V C -0.181 175.949 176.094 0.060 0.000 1.018 40 V CA -0.370 61.960 62.300 0.051 0.000 0.842 40 V CB 1.747 33.609 31.823 0.065 0.000 0.996 40 V HN 0.012 8.202 8.190 -0.000 0.000 0.426 41 M N 5.477 125.111 119.600 0.057 0.000 2.464 41 M HA 0.609 5.090 4.480 0.002 0.000 0.308 41 M C -1.398 174.923 176.300 0.036 0.000 1.127 41 M CA -0.785 54.547 55.300 0.054 0.000 0.913 41 M CB 2.634 35.290 32.600 0.093 0.000 1.689 41 M HN 0.487 8.777 8.290 -0.000 0.000 0.445 42 L N 3.519 124.748 121.223 0.011 0.000 2.305 42 L HA 0.548 4.889 4.340 0.002 0.000 0.284 42 L C -1.106 175.765 176.870 0.002 0.000 1.013 42 L CA -0.449 54.405 54.840 0.024 0.000 0.819 42 L CB 1.670 43.749 42.059 0.033 0.000 1.227 42 L HN 0.510 8.740 8.230 -0.000 0.000 0.417 43 V N 5.916 125.869 119.914 0.066 0.000 2.299 43 V HA 0.563 4.685 4.120 0.002 0.000 0.255 43 V C 0.930 177.152 176.094 0.213 0.000 1.100 43 V CA -0.063 62.319 62.300 0.136 0.000 0.938 43 V CB 0.035 31.963 31.823 0.175 0.000 1.139 43 V HN 0.904 9.094 8.190 -0.000 0.000 0.490 44 G N 2.553 111.528 108.800 0.292 0.000 2.410 44 G HA2 0.432 4.393 3.960 0.002 0.000 0.330 44 G HA3 0.432 4.393 3.960 0.002 0.000 0.330 44 G C 0.562 175.622 174.900 0.267 0.000 1.142 44 G CA -0.348 44.913 45.100 0.268 0.000 0.902 44 G HN 0.707 8.997 8.290 -0.000 0.000 0.491 45 D N -0.323 120.199 120.400 0.204 0.000 2.392 45 D HA -0.153 4.488 4.640 0.002 0.000 0.228 45 D C 2.093 178.456 176.300 0.105 0.000 1.003 45 D CA 0.917 55.010 54.000 0.155 0.000 0.917 45 D CB -0.239 40.664 40.800 0.172 0.000 0.890 45 D HN 0.300 8.670 8.370 -0.000 0.000 0.532 46 S N 0.649 116.426 115.700 0.128 0.000 2.440 46 S HA -0.242 4.229 4.470 0.002 0.000 0.238 46 S C 2.019 176.548 174.600 -0.119 0.000 1.010 46 S CA 1.021 59.260 58.200 0.064 0.000 0.972 46 S CB -0.970 62.322 63.200 0.153 0.000 0.774 46 S HN 0.491 8.801 8.310 -0.000 0.000 0.501 47 L N 1.290 122.358 121.223 -0.258 0.000 2.191 47 L HA 0.258 4.599 4.340 0.002 0.000 0.212 47 L C 2.259 178.959 176.870 -0.284 0.000 1.103 47 L CA 1.553 56.022 54.840 -0.618 0.000 0.769 47 L CB -1.671 39.924 42.059 -0.774 0.000 0.908 47 L HN 0.215 8.445 8.230 -0.000 0.000 0.438 48 G N -0.008 108.742 108.800 -0.083 0.000 2.475 48 G HA2 -0.248 3.713 3.960 0.002 0.000 0.220 48 G HA3 -0.248 3.713 3.960 0.002 0.000 0.220 48 G C 1.398 176.317 174.900 0.032 0.000 1.125 48 G CA 1.600 46.736 45.100 0.061 0.000 0.755 48 G HN 0.510 8.800 8.290 -0.000 0.000 0.565 49 M N 0.015 119.579 119.600 -0.060 0.000 2.553 49 M HA 0.061 4.542 4.480 0.002 0.000 0.255 49 M C 2.966 179.160 176.300 -0.177 0.000 1.181 49 M CA 1.549 56.800 55.300 -0.082 0.000 1.210 49 M CB -0.338 32.224 32.600 -0.062 0.000 1.280 49 M HN 0.266 8.556 8.290 -0.000 0.000 0.495 50 T N -1.384 113.006 114.554 -0.273 0.000 2.904 50 T HA 0.011 4.362 4.350 0.002 0.000 0.267 50 T C 1.618 176.037 174.700 -0.468 0.000 1.059 50 T CA 1.005 62.853 62.100 -0.420 0.000 1.137 50 T CB -0.538 67.990 68.868 -0.566 0.000 0.879 50 T HN 0.129 8.369 8.240 -0.000 0.000 0.467 51 V N 1.216 120.870 119.914 -0.433 0.000 2.490 51 V HA 0.059 4.180 4.120 0.002 0.000 0.238 51 V C 2.768 178.759 176.094 -0.172 0.000 1.056 51 V CA 1.001 63.123 62.300 -0.296 0.000 1.075 51 V CB -0.546 31.063 31.823 -0.357 0.000 0.746 51 V HN 0.374 8.564 8.190 -0.000 0.000 0.479 52 Q N 0.246 119.943 119.800 -0.173 0.000 2.269 52 Q HA 0.174 4.516 4.340 0.002 0.000 0.201 52 Q C 1.631 177.433 176.000 -0.329 0.000 0.946 52 Q CA 0.884 56.572 55.803 -0.191 0.000 0.877 52 Q CB 0.235 28.907 28.738 -0.109 0.000 0.963 52 Q HN 0.767 9.037 8.270 -0.000 0.000 0.472 53 G N 1.018 109.662 108.800 -0.261 0.000 2.132 53 G HA2 -0.208 3.753 3.960 0.002 0.000 0.234 53 G HA3 -0.208 3.753 3.960 0.002 0.000 0.234 53 G C -0.164 174.604 174.900 -0.220 0.000 0.989 53 G CA -0.159 44.810 45.100 -0.218 0.000 0.676 53 G HN 0.333 8.623 8.290 -0.000 0.000 0.522 54 H N 0.423 119.473 119.070 -0.033 0.000 2.603 54 H HA 0.288 4.845 4.556 0.002 0.000 0.370 54 H C 1.227 176.547 175.328 -0.013 0.000 1.225 54 H CA 0.485 56.522 56.048 -0.018 0.000 1.410 54 H CB 1.032 30.787 29.762 -0.012 0.000 1.495 54 H HN 0.373 8.653 8.280 -0.000 0.000 0.602 55 D N -0.670 119.818 120.400 0.147 0.000 2.340 55 D HA -0.027 4.614 4.640 0.002 0.000 0.220 55 D C 0.366 176.745 176.300 0.131 0.000 1.039 55 D CA -0.115 53.945 54.000 0.100 0.000 0.866 55 D CB 0.221 41.071 40.800 0.084 0.000 0.913 55 D HN 0.352 8.722 8.370 -0.000 0.000 0.523 56 S N -1.620 114.152 115.700 0.120 0.000 2.671 56 S HA 0.419 4.890 4.470 0.002 0.000 0.277 56 S C 0.722 175.369 174.600 0.077 0.000 1.165 56 S CA -0.066 58.210 58.200 0.126 0.000 0.822 56 S CB 1.070 64.305 63.200 0.059 0.000 1.150 56 S HN 0.023 8.333 8.310 -0.000 0.000 0.479 57 T N -0.613 113.985 114.554 0.074 0.000 3.100 57 T HA 0.169 4.520 4.350 0.002 0.000 0.253 57 T C 1.559 176.270 174.700 0.020 0.000 1.118 57 T CA 0.365 62.504 62.100 0.065 0.000 1.058 57 T CB -0.596 68.335 68.868 0.105 0.000 0.953 57 T HN 0.369 8.609 8.240 -0.000 0.000 0.515 58 L N 1.672 122.842 121.223 -0.089 0.000 2.079 58 L HA 0.101 4.442 4.340 0.002 0.000 0.210 58 L C -0.435 176.409 176.870 -0.043 0.000 1.081 58 L CA 1.545 56.273 54.840 -0.186 0.000 0.752 58 L CB -1.514 40.208 42.059 -0.561 0.000 0.896 58 L HN 0.232 8.462 8.230 -0.000 0.000 0.433 59 P HA -0.072 4.348 4.420 -0.000 0.000 0.225 59 P C 0.232 177.520 177.300 -0.019 0.000 1.148 59 P CA 0.552 63.548 63.100 -0.173 0.000 0.779 59 P CB 0.011 31.325 31.700 -0.643 0.000 0.780 60 V N 0.956 120.902 119.914 0.055 0.000 2.585 60 V HA 0.059 4.180 4.120 0.002 0.000 0.296 60 V C 1.139 177.312 176.094 0.131 0.000 1.035 60 V CA 0.364 62.733 62.300 0.115 0.000 1.084 60 V CB 0.166 32.069 31.823 0.132 0.000 0.953 60 V HN 0.207 8.397 8.190 -0.000 0.000 0.483 61 T N 1.797 116.427 114.554 0.126 0.000 2.923 61 T HA 0.442 4.793 4.350 0.002 0.000 0.281 61 T C 1.054 175.833 174.700 0.133 0.000 0.995 61 T CA -0.594 61.575 62.100 0.114 0.000 0.985 61 T CB 1.604 70.524 68.868 0.087 0.000 1.114 61 T HN 0.124 8.364 8.240 -0.000 0.000 0.548 62 V N 1.262 121.245 119.914 0.115 0.000 2.407 62 V HA -0.087 4.035 4.120 0.002 0.000 0.248 62 V C 3.113 179.285 176.094 0.130 0.000 1.055 62 V CA 2.256 64.630 62.300 0.123 0.000 1.049 62 V CB -1.604 30.279 31.823 0.101 0.000 0.662 62 V HN 1.063 9.253 8.190 -0.000 0.000 0.455 63 A N -0.049 122.838 122.820 0.111 0.000 1.933 63 A HA -0.250 4.071 4.320 0.002 0.000 0.218 63 A C 1.989 179.667 177.584 0.158 0.000 1.175 63 A CA 2.004 54.107 52.037 0.111 0.000 0.628 63 A CB -0.577 18.465 19.000 0.071 0.000 0.814 63 A HN 0.545 8.695 8.150 -0.000 0.000 0.444 64 D N 0.205 120.710 120.400 0.175 0.000 2.097 64 D HA -0.134 4.507 4.640 0.002 0.000 0.195 64 D C 1.920 178.450 176.300 0.385 0.000 0.989 64 D CA 1.068 55.232 54.000 0.272 0.000 0.827 64 D CB -0.325 40.629 40.800 0.256 0.000 0.966 64 D HN 0.340 8.710 8.370 -0.000 0.000 0.456 65 I N 1.324 122.067 120.570 0.289 0.000 2.208 65 I HA -0.214 3.957 4.170 0.002 0.000 0.245 65 I C 2.473 178.744 176.117 0.257 0.000 1.097 65 I CA 0.787 62.256 61.300 0.281 0.000 1.363 65 I CB -1.212 36.915 38.000 0.211 0.000 1.051 65 I HN -0.108 8.102 8.210 -0.000 0.000 0.413 66 A N 0.010 122.955 122.820 0.209 0.000 1.933 66 A HA -0.272 4.049 4.320 0.002 0.000 0.218 66 A C 2.348 180.037 177.584 0.174 0.000 1.175 66 A CA 1.370 53.508 52.037 0.168 0.000 0.628 66 A CB -1.045 18.038 19.000 0.137 0.000 0.814 66 A HN 0.466 8.616 8.150 -0.000 0.000 0.444 67 Y N 0.451 120.784 120.300 0.056 0.000 2.097 67 Y HA -0.272 4.279 4.550 0.002 0.000 0.282 67 Y C 2.529 178.391 175.900 -0.063 0.000 1.152 67 Y CA 2.273 60.349 58.100 -0.041 0.000 1.136 67 Y CB -0.563 37.823 38.460 -0.123 0.000 0.975 67 Y HN 0.501 8.781 8.280 -0.000 0.000 0.498 68 H N -1.330 117.793 119.070 0.088 0.000 2.423 68 H HA -0.087 4.470 4.556 0.002 0.000 0.297 68 H C 2.121 177.478 175.328 0.048 0.000 1.075 68 H CA 1.729 57.801 56.048 0.040 0.000 1.342 68 H CB -0.454 29.444 29.762 0.227 0.000 1.395 68 H HN 0.368 8.648 8.280 -0.000 0.000 0.530 69 T N 0.922 115.579 114.554 0.171 0.000 2.708 69 T HA -0.091 4.261 4.350 0.002 0.000 0.266 69 T C 2.361 177.101 174.700 0.067 0.000 1.037 69 T CA 1.188 63.362 62.100 0.122 0.000 1.146 69 T CB -0.352 68.590 68.868 0.123 0.000 0.865 69 T HN 0.439 8.679 8.240 -0.000 0.000 0.435 70 A N 1.470 124.308 122.820 0.031 0.000 1.908 70 A HA 0.067 4.388 4.320 0.002 0.000 0.218 70 A C 2.624 180.204 177.584 -0.006 0.000 1.181 70 A CA 1.996 54.037 52.037 0.008 0.000 0.627 70 A CB -1.117 17.881 19.000 -0.004 0.000 0.818 70 A HN 0.516 8.666 8.150 -0.000 0.000 0.445 71 A N -0.649 122.133 122.820 -0.062 0.000 1.877 71 A HA 0.001 4.322 4.320 0.002 0.000 0.216 71 A C 2.244 179.882 177.584 0.090 0.000 1.186 71 A CA 1.794 53.818 52.037 -0.021 0.000 0.620 71 A CB -0.980 17.953 19.000 -0.112 0.000 0.822 71 A HN 0.403 8.553 8.150 -0.000 0.000 0.443 72 V N 0.174 120.139 119.914 0.084 0.000 2.295 72 V HA -0.251 3.871 4.120 0.002 0.000 0.246 72 V C 2.698 178.833 176.094 0.068 0.000 1.049 72 V CA 2.392 64.742 62.300 0.083 0.000 1.024 72 V CB -0.825 31.051 31.823 0.089 0.000 0.648 72 V HN 0.634 8.824 8.190 -0.000 0.000 0.447 73 R N 0.646 121.185 120.500 0.066 0.000 2.105 73 R HA -0.124 4.217 4.340 0.002 0.000 0.239 73 R C 2.320 178.663 176.300 0.072 0.000 1.135 73 R CA 1.629 57.764 56.100 0.058 0.000 0.967 73 R CB -0.582 29.748 30.300 0.050 0.000 0.861 73 R HN 0.458 8.728 8.270 -0.000 0.000 0.442 74 R N -1.211 119.352 120.500 0.105 0.000 2.096 74 R HA -0.044 4.297 4.340 0.002 0.000 0.235 74 R C 2.208 178.662 176.300 0.257 0.000 1.127 74 R CA 1.448 57.648 56.100 0.167 0.000 0.968 74 R CB -0.558 29.839 30.300 0.162 0.000 0.861 74 R HN 0.449 8.719 8.270 -0.000 0.000 0.440 75 G N -0.000 108.909 108.800 0.183 0.000 2.464 75 G HA2 0.006 3.967 3.960 0.002 0.000 0.217 75 G HA3 0.006 3.967 3.960 0.002 0.000 0.217 75 G C 0.389 175.214 174.900 -0.126 0.000 1.138 75 G CA 0.531 45.521 45.100 -0.184 0.000 0.793 75 G HN 0.357 8.647 8.290 -0.000 0.000 0.539 76 A N 0.314 123.119 122.820 -0.024 0.000 3.082 76 A HA 0.660 4.981 4.320 0.002 0.000 0.328 76 A C -1.685 175.911 177.584 0.019 0.000 1.089 76 A CA -0.901 51.133 52.037 -0.006 0.000 0.802 76 A CB 1.244 20.252 19.000 0.014 0.000 1.138 76 A HN 0.026 8.176 8.150 -0.000 0.000 0.474 77 P HA -0.075 4.345 4.420 -0.000 0.000 0.221 77 P C 0.613 177.923 177.300 0.017 0.000 1.150 77 P CA 1.164 64.279 63.100 0.025 0.000 0.800 77 P CB 0.264 31.980 31.700 0.027 0.000 0.787 78 N N -0.996 117.711 118.700 0.012 0.000 2.230 78 N HA 0.038 4.780 4.740 0.002 0.000 0.202 78 N C 0.517 176.031 175.510 0.006 0.000 1.119 78 N CA -0.027 53.027 53.050 0.007 0.000 0.851 78 N CB -0.377 38.111 38.487 0.003 0.000 0.990 78 N HN 0.275 8.655 8.380 -0.000 0.000 0.497 79 C N 0.154 119.463 119.300 0.016 0.000 2.580 79 C HA 0.514 4.975 4.460 0.002 0.000 0.371 79 C C 0.822 175.818 174.990 0.009 0.000 1.308 79 C CA -1.425 57.605 59.018 0.020 0.000 2.428 79 C CB -0.286 27.478 27.740 0.041 0.000 2.529 79 C HN 0.217 8.447 8.230 -0.000 0.000 0.657 80 L N 2.746 123.970 121.223 0.001 0.000 2.315 80 L HA 0.534 4.875 4.340 0.002 0.000 0.283 80 L C -0.360 176.518 176.870 0.014 0.000 1.089 80 L CA -0.048 54.788 54.840 -0.007 0.000 0.833 80 L CB 0.100 42.138 42.059 -0.034 0.000 1.170 80 L HN 0.853 9.083 8.230 -0.000 0.000 0.442 81 L N 5.898 127.132 121.223 0.020 0.000 2.316 81 L HA 0.468 4.809 4.340 0.002 0.000 0.280 81 L C -1.307 175.584 176.870 0.035 0.000 1.006 81 L CA -0.716 54.144 54.840 0.035 0.000 0.836 81 L CB 1.261 43.345 42.059 0.042 0.000 1.221 81 L HN 0.530 8.760 8.230 -0.000 0.000 0.418 82 L N 4.763 126.011 121.223 0.040 0.000 2.289 82 L HA 0.683 5.024 4.340 0.002 0.000 0.285 82 L C 0.120 177.028 176.870 0.063 0.000 1.049 82 L CA 0.091 54.957 54.840 0.043 0.000 0.804 82 L CB 1.630 43.713 42.059 0.039 0.000 1.195 82 L HN 0.625 8.855 8.230 -0.000 0.000 0.428 83 A N 2.199 125.061 122.820 0.071 0.000 2.343 83 A HA 0.620 4.941 4.320 0.002 0.000 0.316 83 A C -0.811 176.832 177.584 0.098 0.000 1.104 83 A CA -0.738 51.358 52.037 0.098 0.000 0.768 83 A CB 0.537 19.599 19.000 0.104 0.000 1.213 83 A HN 0.608 8.758 8.150 -0.000 0.000 0.456 84 D N 1.453 121.929 120.400 0.128 0.000 2.414 84 D HA 0.295 4.937 4.640 0.002 0.000 0.242 84 D C -0.062 176.320 176.300 0.137 0.000 1.129 84 D CA 0.553 54.634 54.000 0.134 0.000 0.885 84 D CB 0.815 41.721 40.800 0.177 0.000 1.198 84 D HN 0.428 8.798 8.370 -0.000 0.000 0.437 85 L N 4.839 126.130 121.223 0.113 0.000 2.290 85 L HA 0.292 4.633 4.340 0.002 0.000 0.284 85 L C -1.764 175.299 176.870 0.323 0.000 1.078 85 L CA -1.531 53.424 54.840 0.192 0.000 0.815 85 L CB 1.037 43.197 42.059 0.169 0.000 1.162 85 L HN 0.171 8.401 8.230 -0.000 0.000 0.435 86 P HA 0.037 4.457 4.420 -0.000 0.000 0.293 86 P C -0.425 177.053 177.300 0.297 0.000 1.304 86 P CA -0.661 62.612 63.100 0.289 0.000 0.767 86 P CB 0.529 32.360 31.700 0.219 0.000 1.247 87 F N 1.134 121.138 119.950 0.089 0.000 2.604 87 F HA 0.049 4.577 4.527 0.002 0.000 0.393 87 F C 1.285 177.037 175.800 -0.080 0.000 1.043 87 F CA 0.251 58.245 58.000 -0.011 0.000 1.227 87 F CB -0.422 38.567 39.000 -0.019 0.000 1.016 87 F HN 0.317 8.617 8.300 -0.000 0.000 0.556 88 M N 4.340 123.467 119.600 -0.790 0.000 2.503 88 M HA -0.278 4.203 4.480 0.002 0.000 0.199 88 M C 0.459 176.508 176.300 -0.418 0.000 0.466 88 M CA 1.202 56.027 55.300 -0.791 0.000 0.510 88 M CB -1.498 30.443 32.600 -1.099 0.000 1.858 88 M HN 0.777 9.067 8.290 -0.000 0.000 0.799 89 A N -0.763 121.909 122.820 -0.248 0.000 2.348 89 A HA 0.416 4.737 4.320 0.002 0.000 0.224 89 A C 0.486 178.146 177.584 0.126 0.000 1.227 89 A CA 0.661 52.697 52.037 -0.000 0.000 0.885 89 A CB -0.260 18.827 19.000 0.145 0.000 0.933 89 A HN 1.071 9.221 8.150 -0.000 0.000 0.506 90 Y N -5.119 115.182 120.300 0.002 0.000 2.734 90 Y HA 0.653 5.204 4.550 0.001 0.000 0.251 90 Y C 1.041 176.994 175.900 0.090 0.000 1.049 90 Y CA -0.360 57.752 58.100 0.019 0.000 1.103 90 Y CB -0.570 37.903 38.460 0.022 0.000 1.201 90 Y HN 0.031 8.311 8.280 -0.000 0.000 0.618 91 A N 0.761 123.547 122.820 -0.056 0.000 2.014 91 A HA 0.145 4.466 4.320 0.002 0.000 0.218 91 A C 1.239 178.844 177.584 0.036 0.000 1.163 91 A CA 1.621 53.631 52.037 -0.045 0.000 0.652 91 A CB -0.466 18.433 19.000 -0.168 0.000 0.808 91 A HN 0.544 8.694 8.150 -0.000 0.000 0.449 92 T N -6.316 108.234 114.554 -0.007 0.000 2.896 92 T HA 0.548 4.899 4.350 0.002 0.000 0.297 92 T C -2.528 172.079 174.700 -0.154 0.000 1.108 92 T CA -1.595 60.480 62.100 -0.041 0.000 1.004 92 T CB 1.848 70.668 68.868 -0.080 0.000 1.159 92 T HN -0.144 8.095 8.240 -0.000 0.000 0.499 93 P HA -0.076 4.344 4.420 -0.000 0.000 0.215 93 P C 1.439 177.975 177.300 -1.273 0.000 1.157 93 P CA 1.138 63.873 63.100 -0.609 0.000 0.868 93 P CB 0.131 31.615 31.700 -0.360 0.000 0.788 94 E N -0.434 119.295 120.200 -0.786 0.000 2.086 94 E HA -0.273 4.078 4.350 0.002 0.000 0.200 94 E C 2.175 178.580 176.600 -0.325 0.000 1.012 94 E CA 1.367 57.450 56.400 -0.528 0.000 0.812 94 E CB -0.349 29.257 29.700 -0.158 0.000 0.743 94 E HN 0.417 8.777 8.360 -0.000 0.000 0.453 95 Q N -0.296 119.369 119.800 -0.225 0.000 2.119 95 Q HA -0.111 4.230 4.340 0.002 0.000 0.201 95 Q C 2.205 178.170 176.000 -0.059 0.000 0.972 95 Q CA 1.067 56.811 55.803 -0.098 0.000 0.847 95 Q CB -0.103 28.591 28.738 -0.073 0.000 0.903 95 Q HN 0.238 8.508 8.270 -0.000 0.000 0.433 96 A N 0.733 123.483 122.820 -0.117 0.000 1.908 96 A HA -0.197 4.125 4.320 0.002 0.000 0.218 96 A C 1.704 179.349 177.584 0.102 0.000 1.181 96 A CA 1.353 53.391 52.037 0.002 0.000 0.627 96 A CB -0.708 18.281 19.000 -0.019 0.000 0.818 96 A HN 0.289 8.439 8.150 -0.000 0.000 0.445 97 F N -0.018 119.961 119.950 0.047 0.000 2.102 97 F HA -0.087 4.441 4.527 0.001 0.000 0.298 97 F C 2.322 178.143 175.800 0.035 0.000 1.105 97 F CA 1.364 59.383 58.000 0.032 0.000 1.239 97 F CB -1.259 37.756 39.000 0.026 0.000 0.991 97 F HN 0.368 8.668 8.300 -0.000 0.000 0.474 98 E N 0.602 120.928 120.200 0.209 0.000 2.051 98 E HA -0.174 4.177 4.350 0.002 0.000 0.192 98 E C 1.941 178.606 176.600 0.108 0.000 0.991 98 E CA 1.638 58.118 56.400 0.132 0.000 0.799 98 E CB -0.288 29.464 29.700 0.087 0.000 0.748 98 E HN 0.172 8.532 8.360 -0.000 0.000 0.449 99 N N 0.072 118.834 118.700 0.102 0.000 2.216 99 N HA -0.054 4.687 4.740 0.002 0.000 0.183 99 N C 1.591 177.165 175.510 0.107 0.000 1.017 99 N CA 1.208 54.318 53.050 0.100 0.000 0.861 99 N CB -0.426 38.123 38.487 0.103 0.000 0.986 99 N HN 0.284 8.664 8.380 -0.000 0.000 0.428 100 A N 1.250 124.140 122.820 0.117 0.000 1.902 100 A HA -0.013 4.308 4.320 0.002 0.000 0.217 100 A C 2.368 180.005 177.584 0.089 0.000 1.181 100 A CA 1.937 54.035 52.037 0.102 0.000 0.623 100 A CB -0.783 18.284 19.000 0.112 0.000 0.818 100 A HN 0.305 8.455 8.150 -0.000 0.000 0.443 101 A N -1.141 121.737 122.820 0.097 0.000 1.933 101 A HA -0.066 4.255 4.320 0.002 0.000 0.218 101 A C 2.282 179.907 177.584 0.068 0.000 1.175 101 A CA 2.232 54.313 52.037 0.074 0.000 0.628 101 A CB -1.202 17.843 19.000 0.075 0.000 0.814 101 A HN 0.434 8.584 8.150 -0.000 0.000 0.444 102 T N -0.060 114.540 114.554 0.076 0.000 2.708 102 T HA -0.144 4.207 4.350 0.002 0.000 0.266 102 T C 2.006 176.752 174.700 0.077 0.000 1.037 102 T CA 2.125 64.270 62.100 0.074 0.000 1.146 102 T CB -0.669 68.246 68.868 0.079 0.000 0.865 102 T HN 0.657 8.897 8.240 -0.000 0.000 0.435 103 V N -0.477 119.488 119.914 0.084 0.000 2.591 103 V HA 0.014 4.135 4.120 0.002 0.000 0.249 103 V C 2.235 178.373 176.094 0.072 0.000 1.053 103 V CA 1.229 63.582 62.300 0.088 0.000 1.068 103 V CB -0.906 30.978 31.823 0.101 0.000 0.689 103 V HN 0.383 8.573 8.190 -0.000 0.000 0.462 104 M N 0.040 119.677 119.600 0.061 0.000 2.132 104 M HA -0.057 4.424 4.480 0.002 0.000 0.263 104 M C 2.602 178.927 176.300 0.043 0.000 1.065 104 M CA 1.955 57.284 55.300 0.047 0.000 1.122 104 M CB -0.405 32.218 32.600 0.039 0.000 1.365 104 M HN 0.246 8.536 8.290 -0.000 0.000 0.411 105 R N 0.151 120.678 120.500 0.045 0.000 2.120 105 R HA -0.063 4.278 4.340 0.002 0.000 0.234 105 R C 2.122 178.448 176.300 0.043 0.000 1.123 105 R CA 1.340 57.464 56.100 0.040 0.000 0.975 105 R CB -0.433 29.892 30.300 0.040 0.000 0.866 105 R HN 0.353 8.623 8.270 -0.000 0.000 0.446 106 A N -0.260 122.593 122.820 0.054 0.000 2.168 106 A HA 0.110 4.431 4.320 0.002 0.000 0.215 106 A C 1.495 179.110 177.584 0.052 0.000 1.152 106 A CA 1.342 53.413 52.037 0.057 0.000 0.716 106 A CB 0.124 19.168 19.000 0.075 0.000 0.794 106 A HN 0.488 8.638 8.150 -0.000 0.000 0.465 107 G N -2.950 105.879 108.800 0.049 0.000 2.902 107 G HA2 0.298 4.259 3.960 0.002 0.000 0.215 107 G HA3 0.298 4.259 3.960 0.002 0.000 0.215 107 G C 0.326 175.252 174.900 0.044 0.000 0.976 107 G CA 0.037 45.164 45.100 0.044 0.000 0.794 107 G HN 1.210 9.500 8.290 -0.000 0.000 0.557 108 A N 0.192 123.041 122.820 0.049 0.000 2.351 108 A HA 0.685 5.007 4.320 0.002 0.000 0.257 108 A C 0.853 178.456 177.584 0.031 0.000 1.087 108 A CA 0.638 52.703 52.037 0.046 0.000 0.798 108 A CB 0.303 19.336 19.000 0.056 0.000 1.033 108 A HN 0.344 8.494 8.150 -0.000 0.000 0.488 109 N N -0.304 118.409 118.700 0.023 0.000 2.356 109 N HA 0.269 5.010 4.740 0.002 0.000 0.178 109 N C -0.076 175.438 175.510 0.007 0.000 1.075 109 N CA 0.338 53.394 53.050 0.010 0.000 0.889 109 N CB 0.371 38.858 38.487 -0.000 0.000 0.999 109 N HN 0.735 9.115 8.380 -0.000 0.000 0.464 110 M N 0.830 120.438 119.600 0.014 0.000 2.471 110 M HA 0.319 4.800 4.480 0.002 0.000 0.284 110 M C -2.005 174.306 176.300 0.019 0.000 1.203 110 M CA -0.892 54.413 55.300 0.010 0.000 0.915 110 M CB 1.874 34.475 32.600 0.003 0.000 1.734 110 M HN -0.159 8.131 8.290 -0.000 0.000 0.485 111 V N 0.660 120.580 119.914 0.011 0.000 2.667 111 V HA 0.738 4.859 4.120 0.002 0.000 0.308 111 V C -1.147 174.940 176.094 -0.013 0.000 1.048 111 V CA -0.680 61.626 62.300 0.010 0.000 0.928 111 V CB 1.789 33.615 31.823 0.006 0.000 1.004 111 V HN 0.961 9.151 8.190 -0.000 0.000 0.444 112 K N 4.335 124.732 120.400 -0.005 0.000 2.274 112 K HA 0.773 5.094 4.320 0.002 0.000 0.262 112 K C -0.861 175.695 176.600 -0.074 0.000 0.961 112 K CA -0.796 55.486 56.287 -0.008 0.000 0.833 112 K CB 1.591 34.124 32.500 0.054 0.000 1.102 112 K HN 0.973 9.223 8.250 -0.000 0.000 0.436 113 I N 0.026 120.498 120.570 -0.164 0.000 2.608 113 I HA 0.481 4.652 4.170 0.002 0.000 0.295 113 I C -0.940 175.081 176.117 -0.161 0.000 1.049 113 I CA -0.917 60.129 61.300 -0.425 0.000 1.063 113 I CB 2.236 39.691 38.000 -0.907 0.000 1.248 113 I HN 0.541 8.751 8.210 -0.000 0.000 0.424 114 E N 3.744 123.935 120.200 -0.016 0.000 2.197 114 E HA 0.695 5.046 4.350 0.002 0.000 0.281 114 E C 0.046 176.762 176.600 0.194 0.000 0.995 114 E CA -0.514 55.946 56.400 0.100 0.000 0.808 114 E CB 1.805 31.553 29.700 0.080 0.000 1.093 114 E HN 1.057 9.417 8.360 -0.000 0.000 0.394 115 G N 1.246 110.124 108.800 0.129 0.000 2.359 115 G HA2 0.218 4.179 3.960 0.002 0.000 0.303 115 G HA3 0.218 4.179 3.960 0.002 0.000 0.303 115 G C -0.211 174.714 174.900 0.042 0.000 1.293 115 G CA -0.561 44.657 45.100 0.197 0.000 0.964 115 G HN 0.649 8.939 8.290 -0.000 0.000 0.531 116 G N -1.274 107.581 108.800 0.093 0.000 3.227 116 G HA2 0.528 4.489 3.960 0.002 0.000 0.171 116 G HA3 0.528 4.489 3.960 0.002 0.000 0.171 116 G C 0.890 175.765 174.900 -0.042 0.000 1.463 116 G CA 0.985 46.114 45.100 0.050 0.000 1.016 116 G HN 0.891 9.181 8.290 -0.000 0.000 0.594 117 E N -0.029 120.207 120.200 0.059 0.000 2.204 117 E HA -0.112 4.239 4.350 0.002 0.000 0.195 117 E C 2.081 178.717 176.600 0.060 0.000 0.990 117 E CA 1.416 57.842 56.400 0.044 0.000 0.821 117 E CB -0.186 29.561 29.700 0.079 0.000 0.750 117 E HN 0.621 8.981 8.360 -0.000 0.000 0.477 118 W N 0.553 121.878 121.300 0.041 0.000 2.341 118 W HA -0.183 4.478 4.660 0.001 0.000 0.283 118 W C 0.891 177.439 176.519 0.048 0.000 1.215 118 W CA 0.456 57.824 57.345 0.038 0.000 1.211 118 W CB -0.675 28.805 29.460 0.033 0.000 1.131 118 W HN 0.070 8.250 8.180 -0.000 0.000 0.552 119 L N 0.935 121.785 121.223 -0.622 0.000 2.552 119 L HA -0.102 4.239 4.340 0.002 0.000 0.227 119 L C 2.578 179.300 176.870 -0.246 0.000 1.146 119 L CA -0.075 54.392 54.840 -0.621 0.000 0.858 119 L CB -0.488 41.151 42.059 -0.701 0.000 0.969 119 L HN -0.215 8.015 8.230 -0.000 0.000 0.451 120 V N 0.516 120.353 119.914 -0.128 0.000 2.282 120 V HA -0.374 3.747 4.120 0.002 0.000 0.249 120 V C 2.541 178.619 176.094 -0.027 0.000 1.057 120 V CA 2.392 64.657 62.300 -0.058 0.000 1.032 120 V CB -0.363 31.450 31.823 -0.016 0.000 0.645 120 V HN 0.584 8.774 8.190 -0.000 0.000 0.447 121 E N -0.438 119.761 120.200 -0.001 0.000 2.077 121 E HA -0.232 4.119 4.350 0.002 0.000 0.193 121 E C 2.198 178.826 176.600 0.046 0.000 0.989 121 E CA 1.890 58.310 56.400 0.032 0.000 0.800 121 E CB -0.179 29.553 29.700 0.053 0.000 0.746 121 E HN 0.633 8.993 8.360 -0.000 0.000 0.452 122 T N 0.470 115.029 114.554 0.008 0.000 2.684 122 T HA -0.138 4.214 4.350 0.002 0.000 0.267 122 T C 1.912 176.639 174.700 0.045 0.000 1.036 122 T CA 1.427 63.540 62.100 0.023 0.000 1.148 122 T CB -0.196 68.632 68.868 -0.067 0.000 0.863 122 T HN 0.042 8.282 8.240 -0.000 0.000 0.436 123 V N 1.385 121.284 119.914 -0.025 0.000 2.295 123 V HA -0.212 3.909 4.120 0.002 0.000 0.246 123 V C 2.619 178.720 176.094 0.011 0.000 1.049 123 V CA 1.663 63.949 62.300 -0.023 0.000 1.024 123 V CB -0.692 31.095 31.823 -0.061 0.000 0.648 123 V HN 0.500 8.690 8.190 -0.000 0.000 0.447 124 Q N -0.845 118.966 119.800 0.017 0.000 2.050 124 Q HA -0.205 4.136 4.340 0.002 0.000 0.202 124 Q C 2.290 178.311 176.000 0.034 0.000 0.980 124 Q CA 1.877 57.692 55.803 0.020 0.000 0.840 124 Q CB -0.214 28.538 28.738 0.024 0.000 0.898 124 Q HN 0.566 8.836 8.270 -0.000 0.000 0.424 125 M N -0.072 119.581 119.600 0.089 0.000 2.200 125 M HA -0.122 4.359 4.480 0.002 0.000 0.265 125 M C 2.087 178.405 176.300 0.030 0.000 1.066 125 M CA 1.071 56.433 55.300 0.104 0.000 1.127 125 M CB -0.091 32.705 32.600 0.325 0.000 1.379 125 M HN 0.213 8.503 8.290 -0.000 0.000 0.420 126 L N -0.477 120.835 121.223 0.148 0.000 2.012 126 L HA -0.220 4.121 4.340 0.002 0.000 0.210 126 L C 2.487 179.348 176.870 -0.015 0.000 1.073 126 L CA 1.437 56.326 54.840 0.082 0.000 0.748 126 L CB -0.894 41.237 42.059 0.121 0.000 0.891 126 L HN 0.305 8.535 8.230 -0.000 0.000 0.431 127 T N -1.261 113.288 114.554 -0.008 0.000 2.746 127 T HA -0.257 4.094 4.350 0.002 0.000 0.267 127 T C 1.758 176.431 174.700 -0.044 0.000 1.039 127 T CA 1.488 63.574 62.100 -0.024 0.000 1.142 127 T CB -0.161 68.696 68.868 -0.017 0.000 0.866 127 T HN 0.358 8.598 8.240 -0.000 0.000 0.444 128 E N 0.739 120.905 120.200 -0.056 0.000 2.204 128 E HA -0.075 4.276 4.350 0.002 0.000 0.195 128 E C 1.703 178.239 176.600 -0.107 0.000 0.990 128 E CA 0.723 57.080 56.400 -0.073 0.000 0.821 128 E CB 0.100 29.757 29.700 -0.071 0.000 0.750 128 E HN 0.335 8.695 8.360 -0.000 0.000 0.477 129 R N -0.900 119.508 120.500 -0.153 0.000 2.480 129 R HA 0.276 4.617 4.340 0.002 0.000 0.277 129 R C 0.337 176.568 176.300 -0.114 0.000 1.008 129 R CA 0.508 56.494 56.100 -0.190 0.000 1.090 129 R CB 0.761 30.834 30.300 -0.378 0.000 1.234 129 R HN 0.171 8.441 8.270 -0.000 0.000 0.549 130 A N -0.481 122.294 122.820 -0.075 0.000 3.028 130 A HA -0.143 4.178 4.320 0.002 0.000 0.248 130 A C 0.119 177.685 177.584 -0.030 0.000 1.316 130 A CA 0.654 52.663 52.037 -0.047 0.000 1.003 130 A CB -1.850 17.124 19.000 -0.042 0.000 1.148 130 A HN 0.101 8.251 8.150 -0.000 0.000 0.828 131 V N 1.477 121.376 119.914 -0.026 0.000 2.311 131 V HA 0.429 4.550 4.120 0.002 0.000 0.275 131 V C -2.132 173.958 176.094 -0.007 0.000 1.022 131 V CA -1.389 60.908 62.300 -0.005 0.000 0.830 131 V CB 1.228 33.062 31.823 0.018 0.000 1.012 131 V HN 0.316 8.506 8.190 -0.000 0.000 0.452 132 P HA 0.253 4.673 4.420 -0.000 0.000 0.271 132 P C -0.751 176.541 177.300 -0.012 0.000 1.218 132 P CA -0.027 63.065 63.100 -0.014 0.000 0.780 132 P CB 0.922 32.612 31.700 -0.016 0.000 0.901 133 V N 2.755 122.658 119.914 -0.018 0.000 2.588 133 V HA 0.293 4.414 4.120 0.002 0.000 0.304 133 V C -0.219 175.861 176.094 -0.024 0.000 1.042 133 V CA -0.530 61.754 62.300 -0.028 0.000 0.877 133 V CB 2.102 33.900 31.823 -0.042 0.000 0.996 133 V HN 0.685 8.875 8.190 -0.000 0.000 0.425 134 C N 4.655 123.942 119.300 -0.021 0.000 2.295 134 C HA 0.814 5.275 4.460 0.002 0.000 0.331 134 C C 1.066 176.048 174.990 -0.014 0.000 1.280 134 C CA -0.150 58.862 59.018 -0.011 0.000 1.746 134 C CB -0.349 27.391 27.740 0.001 0.000 2.328 134 C HN 1.094 9.324 8.230 -0.000 0.000 0.521 135 G N 3.226 112.023 108.800 -0.005 0.000 2.616 135 G HA2 0.442 4.403 3.960 0.002 0.000 0.268 135 G HA3 0.442 4.403 3.960 0.002 0.000 0.268 135 G C -1.118 173.835 174.900 0.088 0.000 1.213 135 G CA -0.034 45.074 45.100 0.013 0.000 0.926 135 G HN 0.995 9.285 8.290 -0.000 0.000 0.523 136 H N -0.571 118.495 119.070 -0.007 0.000 3.240 136 H HA 0.448 5.005 4.556 0.002 0.000 0.329 136 H C -1.116 174.242 175.328 0.050 0.000 1.024 136 H CA -0.705 55.358 56.048 0.026 0.000 1.487 136 H CB 0.935 30.722 29.762 0.042 0.000 1.909 136 H HN 0.343 8.623 8.280 -0.000 0.000 0.465 137 L N 4.004 125.433 121.223 0.344 0.000 2.283 137 L HA 0.640 4.981 4.340 0.002 0.000 0.259 137 L C 0.880 177.867 176.870 0.195 0.000 1.027 137 L CA -0.009 54.953 54.840 0.203 0.000 0.828 137 L CB 2.036 44.163 42.059 0.113 0.000 1.380 137 L HN 0.982 9.212 8.230 -0.000 0.000 0.425 138 G N 0.529 109.390 108.800 0.102 0.000 2.754 138 G HA2 -0.253 3.708 3.960 0.002 0.000 0.241 138 G HA3 -0.253 3.708 3.960 0.002 0.000 0.241 138 G C -0.625 174.256 174.900 -0.031 0.000 1.281 138 G CA -0.185 44.925 45.100 0.017 0.000 0.971 138 G HN 0.527 8.817 8.290 -0.000 0.000 0.569 139 L N 3.102 124.297 121.223 -0.047 0.000 2.401 139 L HA 0.492 4.833 4.340 0.002 0.000 0.283 139 L C 0.997 177.948 176.870 0.136 0.000 1.151 139 L CA 0.381 55.197 54.840 -0.040 0.000 0.942 139 L CB -0.165 41.869 42.059 -0.043 0.000 1.283 139 L HN 0.782 9.012 8.230 -0.000 0.000 0.442 140 T N 1.270 115.951 114.554 0.211 0.000 2.811 140 T HA 0.320 4.671 4.350 0.002 0.000 0.309 140 T C -1.878 172.933 174.700 0.186 0.000 1.005 140 T CA -1.888 60.220 62.100 0.013 0.000 0.955 140 T CB 1.101 69.968 68.868 -0.002 0.000 0.970 140 T HN 0.323 8.563 8.240 -0.000 0.000 0.496 141 P HA -0.060 4.360 4.420 -0.000 0.000 0.225 141 P C 1.496 178.891 177.300 0.158 0.000 1.148 141 P CA 0.730 64.006 63.100 0.293 0.000 0.779 141 P CB 0.095 31.997 31.700 0.337 0.000 0.780 142 Q N -0.843 119.014 119.800 0.094 0.000 2.226 142 Q HA -0.056 4.285 4.340 0.002 0.000 0.204 142 Q C 1.314 177.255 176.000 -0.099 0.000 0.975 142 Q CA 1.193 57.018 55.803 0.037 0.000 0.866 142 Q CB -0.458 28.382 28.738 0.170 0.000 0.915 142 Q HN 0.198 8.468 8.270 -0.000 0.000 0.440 143 S N 0.205 115.809 115.700 -0.160 0.000 2.743 143 S HA 0.024 4.495 4.470 0.002 0.000 0.230 143 S C 1.435 175.659 174.600 -0.628 0.000 0.950 143 S CA -0.166 57.753 58.200 -0.468 0.000 0.976 143 S CB 0.361 63.105 63.200 -0.760 0.000 0.779 143 S HN 0.235 8.545 8.310 -0.000 0.000 0.487 144 V N 2.894 122.617 119.914 -0.318 0.000 2.453 144 V HA -0.244 3.877 4.120 0.002 0.000 0.252 144 V C 1.730 177.636 176.094 -0.314 0.000 1.068 144 V CA 1.902 64.009 62.300 -0.322 0.000 1.070 144 V CB -0.402 31.130 31.823 -0.485 0.000 0.664 144 V HN 0.569 8.759 8.190 -0.000 0.000 0.461 145 N N -0.042 118.475 118.700 -0.305 0.000 2.270 145 N HA -0.044 4.697 4.740 0.002 0.000 0.181 145 N C 1.770 177.144 175.510 -0.226 0.000 1.016 145 N CA 1.627 54.536 53.050 -0.234 0.000 0.870 145 N CB -0.103 38.255 38.487 -0.214 0.000 0.979 145 N HN 0.429 8.809 8.380 -0.000 0.000 0.431 146 I N 0.799 121.168 120.570 -0.334 0.000 2.202 146 I HA -0.186 3.986 4.170 0.002 0.000 0.242 146 I C 1.740 177.741 176.117 -0.194 0.000 1.091 146 I CA 1.127 62.237 61.300 -0.315 0.000 1.368 146 I CB -1.006 36.706 38.000 -0.479 0.000 1.058 146 I HN -0.053 8.157 8.210 -0.000 0.000 0.410 147 F N 1.246 121.133 119.950 -0.104 0.000 2.365 147 F HA 0.118 4.646 4.527 0.002 0.000 0.300 147 F C 2.055 177.787 175.800 -0.114 0.000 1.090 147 F CA 0.634 58.572 58.000 -0.104 0.000 1.408 147 F CB -1.389 37.538 39.000 -0.120 0.000 1.060 147 F HN 0.309 8.609 8.300 -0.000 0.000 0.534 148 G N -0.211 108.596 108.800 0.012 0.000 2.160 148 G HA2 0.125 4.086 3.960 0.002 0.000 0.251 148 G HA3 0.125 4.086 3.960 0.002 0.000 0.251 148 G C 0.522 175.387 174.900 -0.059 0.000 1.008 148 G CA 0.272 45.351 45.100 -0.035 0.000 0.724 148 G HN 1.109 9.399 8.290 -0.000 0.000 0.514 149 G N -2.293 106.435 108.800 -0.120 0.000 2.368 149 G HA2 0.445 4.406 3.960 0.002 0.000 0.302 149 G HA3 0.445 4.406 3.960 0.002 0.000 0.302 149 G C -0.779 173.947 174.900 -0.290 0.000 1.329 149 G CA -0.397 44.578 45.100 -0.208 0.000 0.935 149 G HN 0.788 9.078 8.290 -0.000 0.000 0.590 150 Y N 1.691 122.032 120.300 0.069 0.000 2.714 150 Y HA 0.476 5.027 4.550 0.002 0.000 0.333 150 Y C 0.978 176.865 175.900 -0.022 0.000 1.220 150 Y CA -0.181 57.951 58.100 0.052 0.000 1.513 150 Y CB 0.499 39.004 38.460 0.074 0.000 1.435 150 Y HN 0.160 8.440 8.280 -0.000 0.000 0.489 151 K N 0.930 121.316 120.400 -0.022 0.000 2.203 151 K HA 0.510 4.831 4.320 0.002 0.000 0.251 151 K C -0.589 175.858 176.600 -0.254 0.000 0.944 151 K CA -1.167 55.045 56.287 -0.125 0.000 0.829 151 K CB 2.350 34.773 32.500 -0.129 0.000 1.125 151 K HN 0.082 8.332 8.250 -0.000 0.000 0.430 152 V N 3.720 123.443 119.914 -0.319 0.000 2.644 152 V HA -0.094 4.027 4.120 0.002 0.000 0.305 152 V C 0.302 176.205 176.094 -0.317 0.000 1.053 152 V CA 0.415 62.468 62.300 -0.412 0.000 1.186 152 V CB 0.257 31.761 31.823 -0.533 0.000 0.895 152 V HN 0.633 8.823 8.190 -0.000 0.000 0.490 153 Q N 2.560 122.180 119.800 -0.300 0.000 2.306 153 Q HA 0.577 4.918 4.340 0.002 0.000 0.269 153 Q C 1.094 177.002 176.000 -0.154 0.000 1.053 153 Q CA 0.069 55.717 55.803 -0.259 0.000 0.879 153 Q CB 1.615 30.162 28.738 -0.319 0.000 1.344 153 Q HN 1.050 9.320 8.270 -0.000 0.000 0.464 154 G N 0.882 109.617 108.800 -0.108 0.000 2.157 154 G HA2 -0.267 3.694 3.960 0.002 0.000 0.248 154 G HA3 -0.267 3.694 3.960 0.002 0.000 0.248 154 G C -0.001 174.875 174.900 -0.040 0.000 0.979 154 G CA 0.046 45.112 45.100 -0.057 0.000 0.650 154 G HN 0.391 8.681 8.290 -0.000 0.000 0.529 155 R N 0.348 120.817 120.500 -0.051 0.000 2.438 155 R HA 0.523 4.864 4.340 0.002 0.000 0.287 155 R C 0.825 177.114 176.300 -0.017 0.000 1.077 155 R CA 0.642 56.726 56.100 -0.028 0.000 1.034 155 R CB 0.897 31.177 30.300 -0.033 0.000 0.993 155 R HN 1.518 9.788 8.270 -0.000 0.000 0.459 156 G N 2.263 111.061 108.800 -0.004 0.000 2.675 156 G HA2 -0.175 3.786 3.960 0.002 0.000 0.686 156 G HA3 -0.175 3.786 3.960 0.002 0.000 0.686 156 G C -0.207 174.695 174.900 0.003 0.000 1.215 156 G CA -0.681 44.419 45.100 0.000 0.000 0.777 156 G HN 0.589 8.879 8.290 -0.000 0.000 0.638 157 D N -0.053 120.350 120.400 0.006 0.000 2.117 157 D HA -0.072 4.569 4.640 0.002 0.000 0.197 157 D C 2.045 178.351 176.300 0.009 0.000 0.987 157 D CA 1.560 55.566 54.000 0.009 0.000 0.829 157 D CB 0.023 40.829 40.800 0.009 0.000 0.961 157 D HN 0.709 9.079 8.370 -0.000 0.000 0.460 158 E N 0.491 120.696 120.200 0.009 0.000 2.028 158 E HA -0.141 4.210 4.350 0.002 0.000 0.191 158 E C 2.018 178.626 176.600 0.013 0.000 0.988 158 E CA 1.009 57.416 56.400 0.012 0.000 0.799 158 E CB 0.002 29.708 29.700 0.011 0.000 0.755 158 E HN 0.136 8.496 8.360 -0.000 0.000 0.447 159 A N 0.876 123.701 122.820 0.008 0.000 1.908 159 A HA -0.124 4.197 4.320 0.002 0.000 0.218 159 A C 2.417 180.004 177.584 0.007 0.000 1.181 159 A CA 1.906 53.946 52.037 0.006 0.000 0.627 159 A CB -1.276 17.717 19.000 -0.012 0.000 0.818 159 A HN 0.472 8.622 8.150 -0.000 0.000 0.445 160 G N -0.328 108.475 108.800 0.004 0.000 2.421 160 G HA2 -0.225 3.736 3.960 0.002 0.000 0.216 160 G HA3 -0.225 3.736 3.960 0.002 0.000 0.216 160 G C 1.148 176.056 174.900 0.013 0.000 1.171 160 G CA 1.186 46.290 45.100 0.007 0.000 0.775 160 G HN 0.446 8.736 8.290 -0.000 0.000 0.543 161 D N -0.082 120.327 120.400 0.015 0.000 2.149 161 D HA -0.097 4.544 4.640 0.002 0.000 0.198 161 D C 2.458 178.772 176.300 0.023 0.000 0.990 161 D CA 1.139 55.150 54.000 0.018 0.000 0.839 161 D CB -0.223 40.587 40.800 0.017 0.000 0.948 161 D HN 0.296 8.666 8.370 -0.000 0.000 0.460 162 Q N 0.411 120.227 119.800 0.027 0.000 2.084 162 Q HA -0.046 4.295 4.340 0.002 0.000 0.202 162 Q C 2.146 178.171 176.000 0.041 0.000 0.978 162 Q CA 0.890 56.715 55.803 0.037 0.000 0.844 162 Q CB -0.465 28.300 28.738 0.045 0.000 0.898 162 Q HN 0.330 8.600 8.270 -0.000 0.000 0.426 163 L N -0.587 120.656 121.223 0.034 0.000 2.056 163 L HA -0.124 4.217 4.340 0.002 0.000 0.207 163 L C 2.095 178.983 176.870 0.030 0.000 1.078 163 L CA 0.866 55.727 54.840 0.035 0.000 0.749 163 L CB -0.326 41.748 42.059 0.025 0.000 0.901 163 L HN 0.386 8.616 8.230 -0.000 0.000 0.433 164 L N -0.537 120.700 121.223 0.023 0.000 2.012 164 L HA -0.248 4.094 4.340 0.002 0.000 0.210 164 L C 2.749 179.632 176.870 0.022 0.000 1.073 164 L CA 2.411 57.263 54.840 0.020 0.000 0.748 164 L CB -0.673 41.396 42.059 0.017 0.000 0.891 164 L HN 0.502 8.732 8.230 -0.000 0.000 0.431 165 S N -1.850 113.865 115.700 0.025 0.000 2.387 165 S HA -0.158 4.313 4.470 0.002 0.000 0.226 165 S C 1.774 176.391 174.600 0.028 0.000 1.026 165 S CA 0.911 59.127 58.200 0.025 0.000 0.972 165 S CB -0.785 62.432 63.200 0.028 0.000 0.814 165 S HN 0.500 8.810 8.310 -0.000 0.000 0.477 166 D N 2.587 123.008 120.400 0.035 0.000 2.104 166 D HA -0.003 4.638 4.640 0.002 0.000 0.194 166 D C 2.306 178.620 176.300 0.023 0.000 0.994 166 D CA 1.599 55.621 54.000 0.036 0.000 0.830 166 D CB -0.746 40.085 40.800 0.053 0.000 0.959 166 D HN 0.549 8.919 8.370 -0.000 0.000 0.452 167 A N 0.527 123.362 122.820 0.024 0.000 1.902 167 A HA -0.132 4.189 4.320 0.002 0.000 0.217 167 A C 2.435 180.026 177.584 0.012 0.000 1.181 167 A CA 0.989 53.037 52.037 0.019 0.000 0.623 167 A CB -0.803 18.209 19.000 0.020 0.000 0.818 167 A HN 0.219 8.369 8.150 -0.000 0.000 0.443 168 L N -0.809 120.422 121.223 0.013 0.000 2.046 168 L HA -0.194 4.147 4.340 0.002 0.000 0.208 168 L C 3.109 179.983 176.870 0.007 0.000 1.077 168 L CA 1.056 55.902 54.840 0.011 0.000 0.747 168 L CB -0.541 41.525 42.059 0.012 0.000 0.896 168 L HN 0.439 8.669 8.230 -0.000 0.000 0.432 169 A N 0.122 122.947 122.820 0.008 0.000 1.902 169 A HA -0.175 4.146 4.320 0.002 0.000 0.217 169 A C 2.252 179.831 177.584 -0.008 0.000 1.181 169 A CA 1.510 53.549 52.037 0.004 0.000 0.623 169 A CB -0.709 18.296 19.000 0.008 0.000 0.818 169 A HN 0.354 8.504 8.150 -0.000 0.000 0.443 170 L N -0.849 120.366 121.223 -0.013 0.000 2.056 170 L HA -0.201 4.140 4.340 0.002 0.000 0.207 170 L C 2.690 179.549 176.870 -0.017 0.000 1.078 170 L CA 1.821 56.645 54.840 -0.026 0.000 0.749 170 L CB -0.532 41.510 42.059 -0.027 0.000 0.901 170 L HN 0.629 8.859 8.230 -0.000 0.000 0.433 171 E N 0.626 120.822 120.200 -0.007 0.000 2.058 171 E HA -0.272 4.080 4.350 0.002 0.000 0.194 171 E C 2.170 178.767 176.600 -0.005 0.000 0.997 171 E CA 1.390 57.788 56.400 -0.004 0.000 0.801 171 E CB -0.024 29.677 29.700 0.002 0.000 0.746 171 E HN 0.453 8.813 8.360 -0.000 0.000 0.450 172 A N 0.908 123.726 122.820 -0.003 0.000 1.969 172 A HA 0.020 4.341 4.320 0.002 0.000 0.218 172 A C 2.297 179.879 177.584 -0.004 0.000 1.169 172 A CA 1.437 53.474 52.037 -0.001 0.000 0.635 172 A CB -0.500 18.501 19.000 0.002 0.000 0.810 172 A HN 0.409 8.559 8.150 -0.000 0.000 0.445 173 A N -1.927 120.887 122.820 -0.009 0.000 2.119 173 A HA 0.376 4.697 4.320 0.002 0.000 0.217 173 A C 1.754 179.331 177.584 -0.012 0.000 1.153 173 A CA 1.543 53.574 52.037 -0.011 0.000 0.692 173 A CB -0.593 18.393 19.000 -0.022 0.000 0.799 173 A HN 1.764 9.914 8.150 -0.000 0.000 0.458 174 G N -2.740 106.052 108.800 -0.013 0.000 2.183 174 G HA2 0.231 4.192 3.960 0.002 0.000 0.168 174 G HA3 0.231 4.192 3.960 0.002 0.000 0.168 174 G C 0.314 175.203 174.900 -0.017 0.000 1.008 174 G CA 0.003 45.094 45.100 -0.014 0.000 0.677 174 G HN 1.410 9.700 8.290 -0.000 0.000 0.498 175 A N 0.093 122.901 122.820 -0.019 0.000 2.511 175 A HA 0.593 4.914 4.320 0.002 0.000 0.242 175 A C 1.093 178.670 177.584 -0.012 0.000 1.069 175 A CA 1.141 53.166 52.037 -0.020 0.000 0.763 175 A CB 0.308 19.295 19.000 -0.022 0.000 1.001 175 A HN 0.472 8.622 8.150 -0.000 0.000 0.498 176 Q N 0.838 120.631 119.800 -0.012 0.000 2.384 176 Q HA 0.360 4.701 4.340 0.002 0.000 0.207 176 Q C -0.457 175.544 176.000 0.001 0.000 0.904 176 Q CA 0.472 56.269 55.803 -0.010 0.000 0.933 176 Q CB 0.260 28.987 28.738 -0.019 0.000 1.077 176 Q HN 0.744 9.014 8.270 -0.000 0.000 0.522 177 L N 0.263 121.490 121.223 0.008 0.000 2.415 177 L HA 0.540 4.881 4.340 0.002 0.000 0.256 177 L C -1.610 175.270 176.870 0.018 0.000 1.010 177 L CA -1.168 53.689 54.840 0.027 0.000 0.826 177 L CB 2.195 44.276 42.059 0.037 0.000 1.405 177 L HN -0.074 8.156 8.230 -0.000 0.000 0.410 178 L N 1.404 122.640 121.223 0.022 0.000 2.438 178 L HA 0.632 4.973 4.340 0.002 0.000 0.270 178 L C -1.162 175.697 176.870 -0.018 0.000 0.972 178 L CA -0.326 54.518 54.840 0.007 0.000 0.831 178 L CB 2.078 44.144 42.059 0.012 0.000 1.273 178 L HN 0.230 8.460 8.230 -0.000 0.000 0.405 179 V N 5.977 125.853 119.914 -0.064 0.000 2.465 179 V HA 0.406 4.527 4.120 0.002 0.000 0.279 179 V C -0.051 175.972 176.094 -0.118 0.000 1.045 179 V CA -0.401 61.802 62.300 -0.162 0.000 0.938 179 V CB 1.454 33.049 31.823 -0.379 0.000 0.986 179 V HN 0.632 8.822 8.190 -0.000 0.000 0.467 180 L N 4.808 125.975 121.223 -0.094 0.000 2.319 180 L HA 0.571 4.912 4.340 0.002 0.000 0.281 180 L C -0.243 176.592 176.870 -0.058 0.000 1.005 180 L CA -0.246 54.574 54.840 -0.034 0.000 0.828 180 L CB 1.671 43.712 42.059 -0.030 0.000 1.227 180 L HN 0.738 8.968 8.230 -0.000 0.000 0.415 181 E N 3.522 123.720 120.200 -0.002 0.000 2.176 181 E HA 0.257 4.608 4.350 0.002 0.000 0.267 181 E C -0.570 175.991 176.600 -0.064 0.000 0.893 181 E CA -0.530 55.847 56.400 -0.039 0.000 0.761 181 E CB 1.331 31.095 29.700 0.105 0.000 1.133 181 E HN 0.790 9.150 8.360 -0.000 0.000 0.409 182 C N 3.492 122.725 119.300 -0.111 0.000 3.004 182 C HA -0.116 4.346 4.460 0.002 0.000 0.267 182 C C 0.264 175.163 174.990 -0.152 0.000 1.211 182 C CA 0.586 59.534 59.018 -0.116 0.000 2.485 182 C CB -3.317 24.292 27.740 -0.219 0.000 1.539 182 C HN 0.488 8.718 8.230 -0.000 0.000 0.462 183 V N -1.748 118.138 119.914 -0.045 0.000 3.040 183 V HA 0.925 5.046 4.120 0.002 0.000 0.312 183 V C -2.586 173.519 176.094 0.018 0.000 1.115 183 V CA -2.676 59.594 62.300 -0.049 0.000 0.998 183 V CB 1.873 33.675 31.823 -0.035 0.000 1.042 183 V HN 0.077 8.267 8.190 -0.000 0.000 0.433 184 P HA 0.160 4.580 4.420 -0.000 0.000 0.266 184 P C 1.045 178.341 177.300 -0.007 0.000 1.195 184 P CA 0.112 63.222 63.100 0.017 0.000 0.768 184 P CB 0.744 32.466 31.700 0.036 0.000 0.838 185 V N 2.345 122.218 119.914 -0.068 0.000 2.490 185 V HA -0.234 3.887 4.120 0.002 0.000 0.250 185 V C 1.912 178.013 176.094 0.012 0.000 1.061 185 V CA 1.925 64.195 62.300 -0.050 0.000 1.064 185 V CB -1.133 30.636 31.823 -0.089 0.000 0.670 185 V HN 0.539 8.729 8.190 -0.000 0.000 0.461 186 E N 0.077 120.310 120.200 0.055 0.000 2.106 186 E HA -0.184 4.167 4.350 0.002 0.000 0.192 186 E C 1.917 178.535 176.600 0.030 0.000 0.984 186 E CA 0.907 57.341 56.400 0.057 0.000 0.806 186 E CB -0.406 29.342 29.700 0.079 0.000 0.750 186 E HN 0.457 8.817 8.360 -0.000 0.000 0.458 187 L N 0.280 121.516 121.223 0.022 0.000 2.109 187 L HA 0.016 4.357 4.340 0.002 0.000 0.207 187 L C 2.013 178.886 176.870 0.004 0.000 1.086 187 L CA 1.822 56.669 54.840 0.012 0.000 0.760 187 L CB -0.775 41.288 42.059 0.006 0.000 0.910 187 L HN 0.106 8.336 8.230 -0.000 0.000 0.437 188 A N -0.543 122.275 122.820 -0.003 0.000 1.902 188 A HA -0.269 4.052 4.320 0.002 0.000 0.217 188 A C 2.453 180.031 177.584 -0.011 0.000 1.181 188 A CA 1.982 54.011 52.037 -0.013 0.000 0.623 188 A CB -0.606 18.378 19.000 -0.027 0.000 0.818 188 A HN 0.498 8.648 8.150 -0.000 0.000 0.443 189 K N -0.443 119.954 120.400 -0.004 0.000 2.026 189 K HA -0.158 4.164 4.320 0.002 0.000 0.208 189 K C 2.288 178.889 176.600 0.003 0.000 1.048 189 K CA 1.433 57.719 56.287 -0.002 0.000 0.929 189 K CB -0.181 32.323 32.500 0.006 0.000 0.713 189 K HN 0.436 8.686 8.250 -0.000 0.000 0.439 190 R N 0.325 120.829 120.500 0.007 0.000 2.091 190 R HA -0.099 4.242 4.340 0.002 0.000 0.238 190 R C 2.363 178.667 176.300 0.007 0.000 1.136 190 R CA 1.809 57.914 56.100 0.009 0.000 0.959 190 R CB -0.327 29.979 30.300 0.011 0.000 0.856 190 R HN 0.270 8.540 8.270 -0.000 0.000 0.437 191 I N -0.120 120.453 120.570 0.005 0.000 2.252 191 I HA -0.225 3.946 4.170 0.002 0.000 0.245 191 I C 2.010 178.130 176.117 0.005 0.000 1.102 191 I CA 1.240 62.543 61.300 0.006 0.000 1.385 191 I CB -0.318 37.686 38.000 0.005 0.000 1.064 191 I HN 0.178 8.388 8.210 -0.000 0.000 0.414 192 T N 0.099 114.653 114.554 -0.000 0.000 2.746 192 T HA -0.190 4.161 4.350 0.002 0.000 0.267 192 T C 1.758 176.462 174.700 0.006 0.000 1.039 192 T CA 1.408 63.508 62.100 -0.000 0.000 1.142 192 T CB -0.207 68.653 68.868 -0.012 0.000 0.866 192 T HN 0.395 8.635 8.240 -0.000 0.000 0.444 193 E N 0.631 120.834 120.200 0.006 0.000 2.107 193 E HA 0.055 4.406 4.350 0.002 0.000 0.191 193 E C 2.457 179.063 176.600 0.010 0.000 0.982 193 E CA 0.750 57.155 56.400 0.008 0.000 0.809 193 E CB -0.115 29.589 29.700 0.007 0.000 0.756 193 E HN 0.453 8.813 8.360 -0.000 0.000 0.459 194 A N 0.503 123.329 122.820 0.010 0.000 1.968 194 A HA -0.024 4.297 4.320 0.002 0.000 0.217 194 A C 0.866 178.457 177.584 0.011 0.000 1.169 194 A CA 0.594 52.637 52.037 0.010 0.000 0.638 194 A CB 0.050 19.057 19.000 0.011 0.000 0.812 194 A HN 0.043 8.193 8.150 -0.000 0.000 0.446 195 L N -1.475 119.755 121.223 0.012 0.000 2.309 195 L HA 0.572 4.913 4.340 0.002 0.000 0.282 195 L C 1.340 178.220 176.870 0.017 0.000 1.036 195 L CA 0.453 55.301 54.840 0.014 0.000 0.806 195 L CB 1.486 43.554 42.059 0.015 0.000 1.220 195 L HN 0.168 8.398 8.230 -0.000 0.000 0.429 196 A N 4.318 127.147 122.820 0.016 0.000 1.975 196 A HA 0.116 4.437 4.320 0.002 0.000 0.215 196 A C 0.976 178.574 177.584 0.023 0.000 1.170 196 A CA 0.419 52.466 52.037 0.018 0.000 0.656 196 A CB -0.667 18.340 19.000 0.012 0.000 0.821 196 A HN 0.682 8.832 8.150 -0.000 0.000 0.449 197 I N -1.986 118.597 120.570 0.022 0.000 2.882 197 I HA 0.346 4.517 4.170 0.002 0.000 0.286 197 I C -2.742 173.406 176.117 0.051 0.000 1.139 197 I CA -2.186 59.131 61.300 0.029 0.000 1.379 197 I CB 0.161 38.173 38.000 0.019 0.000 1.410 197 I HN -0.094 8.116 8.210 -0.000 0.000 0.594 198 P HA 0.156 4.576 4.420 -0.000 0.000 0.271 198 P C -0.826 176.535 177.300 0.102 0.000 1.216 198 P CA -0.129 63.055 63.100 0.140 0.000 0.771 198 P CB 0.942 32.800 31.700 0.264 0.000 0.864 199 V N 5.496 125.446 119.914 0.061 0.000 2.384 199 V HA 0.369 4.490 4.120 0.002 0.000 0.287 199 V C 0.330 176.399 176.094 -0.042 0.000 1.020 199 V CA -0.413 61.893 62.300 0.010 0.000 0.850 199 V CB 1.182 33.001 31.823 -0.008 0.000 0.987 199 V HN 0.403 8.593 8.190 -0.000 0.000 0.436 200 I N 4.123 124.666 120.570 -0.045 0.000 2.362 200 I HA 0.605 4.776 4.170 0.002 0.000 0.289 200 I C 0.786 176.840 176.117 -0.105 0.000 0.994 200 I CA -0.140 61.102 61.300 -0.097 0.000 1.158 200 I CB 1.724 39.711 38.000 -0.022 0.000 1.315 200 I HN 0.714 8.924 8.210 -0.000 0.000 0.451 201 G N 6.672 115.398 108.800 -0.123 0.000 2.389 201 G HA2 0.734 4.695 3.960 0.002 0.000 0.328 201 G HA3 0.734 4.695 3.960 0.002 0.000 0.328 201 G C -1.139 173.696 174.900 -0.107 0.000 1.133 201 G CA -0.477 44.555 45.100 -0.112 0.000 0.891 201 G HN 0.603 8.893 8.290 -0.000 0.000 0.485 202 I N 0.935 121.420 120.570 -0.142 0.000 2.534 202 I HA 0.501 4.672 4.170 0.002 0.000 0.286 202 I C 0.752 176.655 176.117 -0.358 0.000 1.094 202 I CA 0.103 61.281 61.300 -0.203 0.000 1.055 202 I CB 1.354 39.231 38.000 -0.205 0.000 1.225 202 I HN 1.087 9.297 8.210 -0.000 0.000 0.435 203 G N 4.868 113.480 108.800 -0.313 0.000 2.179 203 G HA2 -0.266 3.696 3.960 0.002 0.000 0.257 203 G HA3 -0.266 3.696 3.960 0.002 0.000 0.257 203 G C 0.467 175.396 174.900 0.050 0.000 1.010 203 G CA 0.497 45.539 45.100 -0.096 0.000 0.736 203 G HN 1.239 9.529 8.290 -0.000 0.000 0.513 204 A N -0.695 122.097 122.820 -0.046 0.000 2.571 204 A HA 0.748 5.070 4.320 0.002 0.000 0.274 204 A C 1.780 179.322 177.584 -0.070 0.000 1.196 204 A CA 1.297 53.312 52.037 -0.037 0.000 0.957 204 A CB 0.050 19.015 19.000 -0.057 0.000 1.150 204 A HN 2.538 10.688 8.150 -0.000 0.000 0.539 205 G N 0.980 109.718 108.800 -0.103 0.000 2.828 205 G HA2 -0.192 3.769 3.960 0.002 0.000 0.463 205 G HA3 -0.192 3.769 3.960 0.002 0.000 0.463 205 G C 0.099 174.919 174.900 -0.134 0.000 1.394 205 G CA -0.003 45.023 45.100 -0.123 0.000 0.862 205 G HN 1.079 9.369 8.290 -0.000 0.000 0.540 206 N N -0.534 118.094 118.700 -0.120 0.000 2.370 206 N HA 0.074 4.815 4.740 0.002 0.000 0.198 206 N C 1.926 177.383 175.510 -0.087 0.000 1.156 206 N CA 1.669 54.649 53.050 -0.117 0.000 0.839 206 N CB 0.015 38.447 38.487 -0.092 0.000 0.989 206 N HN 1.495 9.875 8.380 -0.000 0.000 0.468 207 V N -2.974 116.896 119.914 -0.072 0.000 3.306 207 V HA 0.097 4.218 4.120 0.002 0.000 0.264 207 V C 1.000 177.057 176.094 -0.062 0.000 1.149 207 V CA 0.612 62.881 62.300 -0.052 0.000 1.143 207 V CB -1.521 30.283 31.823 -0.031 0.000 0.767 207 V HN 0.349 8.539 8.190 -0.000 0.000 0.476 208 T N -1.827 112.673 114.554 -0.089 0.000 2.788 208 T HA 0.182 4.533 4.350 0.002 0.000 0.287 208 T C 0.685 175.302 174.700 -0.139 0.000 1.007 208 T CA 0.249 62.288 62.100 -0.102 0.000 1.005 208 T CB 0.927 69.723 68.868 -0.120 0.000 1.012 208 T HN 0.344 8.584 8.240 -0.000 0.000 0.530 209 D N 0.620 120.935 120.400 -0.142 0.000 2.224 209 D HA 0.142 4.783 4.640 0.002 0.000 0.205 209 D C 1.092 177.052 176.300 -0.565 0.000 0.965 209 D CA 1.053 54.948 54.000 -0.176 0.000 0.852 209 D CB -0.120 40.681 40.800 0.002 0.000 0.947 209 D HN 0.786 9.156 8.370 -0.000 0.000 0.494 210 G N -0.628 107.756 108.800 -0.695 0.000 2.727 210 G HA2 0.477 4.439 3.960 0.002 0.000 0.289 210 G HA3 0.477 4.439 3.960 0.002 0.000 0.289 210 G C -1.369 173.252 174.900 -0.465 0.000 1.418 210 G CA -0.481 43.980 45.100 -1.066 0.000 0.818 210 G HN -0.236 8.054 8.290 -0.000 0.000 0.486 211 Q N -0.608 118.999 119.800 -0.322 0.000 2.397 211 Q HA 0.622 4.963 4.340 0.002 0.000 0.275 211 Q C -1.270 174.762 176.000 0.053 0.000 1.090 211 Q CA -0.621 55.139 55.803 -0.072 0.000 0.809 211 Q CB 3.087 31.854 28.738 0.048 0.000 1.362 211 Q HN 0.616 8.886 8.270 -0.000 0.000 0.431 212 I N 1.286 121.908 120.570 0.086 0.000 2.828 212 I HA 0.588 4.759 4.170 0.002 0.000 0.302 212 I C -1.794 174.391 176.117 0.113 0.000 1.101 212 I CA -0.979 60.382 61.300 0.102 0.000 1.031 212 I CB 1.878 39.895 38.000 0.027 0.000 1.231 212 I HN 0.465 8.675 8.210 -0.000 0.000 0.427 213 L N 5.813 127.055 121.223 0.032 0.000 2.465 213 L HA 0.502 4.843 4.340 0.002 0.000 0.257 213 L C -1.064 175.766 176.870 -0.067 0.000 0.988 213 L CA -0.596 54.239 54.840 -0.009 0.000 0.827 213 L CB 2.330 44.283 42.059 -0.177 0.000 1.397 213 L HN 0.263 8.493 8.230 -0.000 0.000 0.410 214 V N 4.291 124.210 119.914 0.010 0.000 2.446 214 V HA 0.000 4.121 4.120 0.002 0.000 0.276 214 V C 1.597 177.619 176.094 -0.120 0.000 1.030 214 V CA 0.246 62.566 62.300 0.034 0.000 1.033 214 V CB 0.876 32.778 31.823 0.131 0.000 0.993 214 V HN 0.953 9.143 8.190 -0.000 0.000 0.477 215 M N 2.932 122.423 119.600 -0.182 0.000 2.195 215 M HA -0.205 4.276 4.480 0.002 0.000 0.260 215 M C 1.541 177.510 176.300 -0.553 0.000 1.066 215 M CA 2.158 57.182 55.300 -0.459 0.000 1.089 215 M CB -0.807 31.653 32.600 -0.234 0.000 1.377 215 M HN 0.662 8.952 8.290 -0.000 0.000 0.411 216 H N 0.989 119.935 119.070 -0.207 0.000 2.423 216 H HA -0.040 4.517 4.556 0.002 0.000 0.297 216 H C 1.590 176.820 175.328 -0.163 0.000 1.075 216 H CA 1.802 57.766 56.048 -0.141 0.000 1.342 216 H CB -0.299 29.430 29.762 -0.055 0.000 1.395 216 H HN 0.511 8.791 8.280 -0.000 0.000 0.530 217 D N 0.184 120.533 120.400 -0.085 0.000 2.123 217 D HA -0.045 4.596 4.640 0.002 0.000 0.200 217 D C 2.257 178.411 176.300 -0.243 0.000 0.976 217 D CA 1.131 55.050 54.000 -0.136 0.000 0.831 217 D CB -0.364 40.361 40.800 -0.124 0.000 0.974 217 D HN 0.401 8.771 8.370 -0.000 0.000 0.469 218 A N 0.326 122.887 122.820 -0.431 0.000 2.019 218 A HA -0.130 4.191 4.320 0.002 0.000 0.219 218 A C 1.044 178.299 177.584 -0.549 0.000 1.164 218 A CA 0.951 52.637 52.037 -0.584 0.000 0.644 218 A CB -0.541 17.892 19.000 -0.945 0.000 0.805 218 A HN 0.176 8.326 8.150 -0.000 0.000 0.449 219 F N -0.830 119.102 119.950 -0.030 0.000 2.708 219 F HA 0.459 4.987 4.527 0.002 0.000 0.300 219 F C 1.527 177.326 175.800 -0.001 0.000 1.118 219 F CA -0.893 57.111 58.000 0.007 0.000 1.307 219 F CB -0.591 38.433 39.000 0.040 0.000 0.986 219 F HN 0.213 8.513 8.300 -0.000 0.000 0.522 220 G N 0.940 109.772 108.800 0.053 0.000 2.283 220 G HA2 -0.340 3.621 3.960 0.002 0.000 0.280 220 G HA3 -0.340 3.621 3.960 0.002 0.000 0.280 220 G C 1.095 176.034 174.900 0.063 0.000 1.029 220 G CA 0.926 46.041 45.100 0.026 0.000 0.840 220 G HN 0.509 8.799 8.290 -0.000 0.000 0.505 221 I N 0.007 120.633 120.570 0.093 0.000 2.333 221 I HA -0.013 4.158 4.170 0.002 0.000 0.246 221 I C 1.893 178.064 176.117 0.090 0.000 1.106 221 I CA 1.081 62.454 61.300 0.122 0.000 1.411 221 I CB -0.316 37.793 38.000 0.181 0.000 1.082 221 I HN 0.190 8.400 8.210 -0.000 0.000 0.420 222 T N 1.678 116.274 114.554 0.070 0.000 2.940 222 T HA 0.254 4.606 4.350 0.002 0.000 0.309 222 T C 0.427 175.130 174.700 0.005 0.000 1.056 222 T CA 0.019 62.136 62.100 0.028 0.000 1.137 222 T CB 0.749 69.620 68.868 0.005 0.000 0.976 222 T HN 0.403 8.643 8.240 -0.000 0.000 0.547 223 G N 0.638 109.439 108.800 0.000 0.000 2.528 223 G HA2 0.582 4.543 3.960 0.002 0.000 0.289 223 G HA3 0.582 4.543 3.960 0.002 0.000 0.289 223 G C 0.534 175.431 174.900 -0.005 0.000 1.192 223 G CA -0.004 45.095 45.100 -0.002 0.000 0.921 223 G HN 1.112 9.402 8.290 -0.000 0.000 0.512 224 G N -0.895 107.905 108.800 -0.000 0.000 2.645 224 G HA2 -0.215 3.746 3.960 0.002 0.000 0.239 224 G HA3 -0.215 3.746 3.960 0.002 0.000 0.239 224 G C 0.022 174.934 174.900 0.021 0.000 1.331 224 G CA 0.071 45.183 45.100 0.020 0.000 0.890 224 G HN 1.040 9.330 8.290 -0.000 0.000 0.572 225 H N 0.935 119.987 119.070 -0.029 0.000 2.646 225 H HA 0.468 5.025 4.556 0.002 0.000 0.325 225 H C 1.335 176.625 175.328 -0.064 0.000 1.075 225 H CA 0.325 56.349 56.048 -0.040 0.000 1.421 225 H CB 0.288 30.031 29.762 -0.031 0.000 1.461 225 H HN 0.670 8.950 8.280 -0.000 0.000 0.525 226 I N 3.226 123.760 120.570 -0.060 0.000 2.882 226 I HA 0.312 4.483 4.170 0.002 0.000 0.286 226 I C -2.254 173.858 176.117 -0.008 0.000 1.139 226 I CA -2.157 59.106 61.300 -0.062 0.000 1.379 226 I CB -0.012 37.900 38.000 -0.146 0.000 1.410 226 I HN 0.359 8.569 8.210 -0.000 0.000 0.594 227 P HA -0.030 4.390 4.420 -0.000 0.000 0.265 227 P C 0.386 177.493 177.300 -0.321 0.000 1.187 227 P CA -0.161 62.716 63.100 -0.372 0.000 0.766 227 P CB 0.515 31.646 31.700 -0.948 0.000 0.820 228 K N 2.490 122.812 120.400 -0.129 0.000 2.107 228 K HA -0.210 4.111 4.320 0.002 0.000 0.211 228 K C 1.506 178.082 176.600 -0.040 0.000 1.049 228 K CA 1.972 58.224 56.287 -0.058 0.000 0.927 228 K CB -0.436 32.038 32.500 -0.043 0.000 0.714 228 K HN 0.576 8.826 8.250 -0.000 0.000 0.452 229 F N -0.764 119.220 119.950 0.057 0.000 2.780 229 F HA 0.356 4.885 4.527 0.002 0.000 0.299 229 F C 0.530 176.396 175.800 0.111 0.000 1.146 229 F CA -0.456 57.571 58.000 0.045 0.000 1.428 229 F CB -0.389 38.635 39.000 0.040 0.000 1.115 229 F HN -0.129 8.171 8.300 -0.000 0.000 0.583 230 A N 1.185 123.879 122.820 -0.209 0.000 2.269 230 A HA 0.672 4.993 4.320 0.002 0.000 0.319 230 A C -0.468 177.029 177.584 -0.145 0.000 1.110 230 A CA -0.805 51.160 52.037 -0.120 0.000 0.847 230 A CB 0.908 19.723 19.000 -0.307 0.000 1.161 230 A HN 0.363 8.513 8.150 -0.000 0.000 0.497 231 K N 0.774 120.974 120.400 -0.334 0.000 2.468 231 K HA 0.279 4.600 4.320 0.002 0.000 0.252 231 K C -1.243 174.999 176.600 -0.597 0.000 0.932 231 K CA -0.658 55.295 56.287 -0.557 0.000 0.794 231 K CB 1.238 33.095 32.500 -1.071 0.000 1.241 231 K HN 0.668 8.918 8.250 -0.000 0.000 0.428 232 N N 4.515 122.958 118.700 -0.428 0.000 2.439 232 N HA 0.118 4.859 4.740 0.002 0.000 0.243 232 N C -0.297 175.034 175.510 -0.297 0.000 1.088 232 N CA -0.186 52.707 53.050 -0.263 0.000 0.940 232 N CB 0.024 38.423 38.487 -0.148 0.000 1.180 232 N HN 0.554 8.934 8.380 -0.000 0.000 0.505 233 F N 2.048 121.947 119.950 -0.086 0.000 2.615 233 F HA 0.038 4.566 4.527 0.002 0.000 0.297 233 F C 1.756 177.606 175.800 0.082 0.000 1.124 233 F CA -0.065 57.929 58.000 -0.009 0.000 1.451 233 F CB 0.125 39.123 39.000 -0.005 0.000 1.103 233 F HN 0.416 8.716 8.300 -0.000 0.000 0.569 234 L N 0.682 122.081 121.223 0.294 0.000 2.056 234 L HA -0.028 4.314 4.340 0.002 0.000 0.207 234 L C 2.491 179.424 176.870 0.105 0.000 1.078 234 L CA 1.723 56.690 54.840 0.211 0.000 0.749 234 L CB -1.214 40.986 42.059 0.235 0.000 0.901 234 L HN 0.055 8.285 8.230 -0.000 0.000 0.433 235 A N -0.250 122.607 122.820 0.061 0.000 1.894 235 A HA -0.294 4.027 4.320 0.002 0.000 0.220 235 A C 1.881 179.479 177.584 0.022 0.000 1.237 235 A CA 2.611 54.659 52.037 0.018 0.000 0.660 235 A CB -1.304 17.680 19.000 -0.026 0.000 0.835 235 A HN 0.570 8.720 8.150 -0.000 0.000 0.461 236 E N -0.987 119.230 120.200 0.028 0.000 2.723 236 E HA 0.429 4.780 4.350 0.002 0.000 0.219 236 E C 0.628 177.263 176.600 0.058 0.000 1.060 236 E CA 0.540 56.960 56.400 0.032 0.000 1.291 236 E CB -0.785 28.926 29.700 0.018 0.000 1.265 236 E HN 0.825 9.185 8.360 -0.000 0.000 0.438 237 T N -6.133 108.462 114.554 0.068 0.000 3.048 237 T HA 0.476 4.827 4.350 0.002 0.000 0.254 237 T C 1.949 176.673 174.700 0.040 0.000 0.942 237 T CA 0.985 63.123 62.100 0.063 0.000 0.931 237 T CB 0.674 69.594 68.868 0.087 0.000 1.220 237 T HN 1.417 9.657 8.240 -0.000 0.000 0.503 238 G N 2.352 111.174 108.800 0.037 0.000 2.313 238 G HA2 -0.137 3.825 3.960 0.002 0.000 0.215 238 G HA3 -0.137 3.825 3.960 0.002 0.000 0.215 238 G C -0.307 174.598 174.900 0.008 0.000 1.023 238 G CA 0.191 45.303 45.100 0.020 0.000 0.626 238 G HN 0.997 9.287 8.290 -0.000 0.000 0.503 239 D N -0.227 120.173 120.400 0.001 0.000 2.661 239 D HA 0.516 5.158 4.640 0.002 0.000 0.228 239 D C 1.252 177.515 176.300 -0.061 0.000 1.183 239 D CA -0.595 53.386 54.000 -0.032 0.000 0.844 239 D CB 1.394 42.173 40.800 -0.035 0.000 1.555 239 D HN 0.129 8.499 8.370 -0.000 0.000 0.453 240 I N 0.642 121.126 120.570 -0.143 0.000 2.226 240 I HA -0.244 3.927 4.170 0.002 0.000 0.245 240 I C 2.676 178.677 176.117 -0.193 0.000 1.100 240 I CA 0.896 62.009 61.300 -0.312 0.000 1.374 240 I CB -0.181 37.553 38.000 -0.444 0.000 1.057 240 I HN 0.290 8.500 8.210 -0.000 0.000 0.413 241 R N 0.757 121.195 120.500 -0.104 0.000 2.081 241 R HA -0.115 4.226 4.340 0.002 0.000 0.235 241 R C 2.519 178.822 176.300 0.005 0.000 1.131 241 R CA 1.493 57.573 56.100 -0.033 0.000 0.960 241 R CB -0.480 29.798 30.300 -0.037 0.000 0.856 241 R HN 0.361 8.631 8.270 -0.000 0.000 0.436 242 A N 1.192 124.013 122.820 0.002 0.000 1.908 242 A HA -0.177 4.144 4.320 0.002 0.000 0.218 242 A C 2.363 179.986 177.584 0.065 0.000 1.181 242 A CA 1.814 53.868 52.037 0.028 0.000 0.627 242 A CB -0.764 18.252 19.000 0.026 0.000 0.818 242 A HN 0.425 8.575 8.150 -0.000 0.000 0.445 243 A N -0.537 122.336 122.820 0.089 0.000 1.883 243 A HA -0.059 4.262 4.320 0.002 0.000 0.217 243 A C 2.251 179.940 177.584 0.173 0.000 1.186 243 A CA 1.937 54.099 52.037 0.208 0.000 0.624 243 A CB -1.090 18.096 19.000 0.310 0.000 0.822 243 A HN 0.431 8.581 8.150 -0.000 0.000 0.444 244 V N 0.117 120.134 119.914 0.170 0.000 2.255 244 V HA -0.324 3.798 4.120 0.002 0.000 0.247 244 V C 2.679 178.793 176.094 0.033 0.000 1.051 244 V CA 2.454 64.841 62.300 0.144 0.000 1.018 244 V CB -0.835 31.110 31.823 0.204 0.000 0.641 244 V HN 0.554 8.744 8.190 -0.000 0.000 0.445 245 R N -0.552 119.962 120.500 0.023 0.000 2.096 245 R HA -0.200 4.141 4.340 0.002 0.000 0.235 245 R C 2.393 178.667 176.300 -0.044 0.000 1.127 245 R CA 1.590 57.681 56.100 -0.014 0.000 0.968 245 R CB -0.325 29.977 30.300 0.003 0.000 0.861 245 R HN 0.609 8.879 8.270 -0.000 0.000 0.440 246 Q N -0.015 119.777 119.800 -0.015 0.000 2.079 246 Q HA -0.219 4.122 4.340 0.002 0.000 0.200 246 Q C 1.864 177.777 176.000 -0.146 0.000 0.974 246 Q CA 1.426 57.237 55.803 0.014 0.000 0.840 246 Q CB -0.130 28.712 28.738 0.174 0.000 0.898 246 Q HN 0.332 8.602 8.270 -0.000 0.000 0.430 247 Y N 0.790 120.690 120.300 -0.667 0.000 2.128 247 Y HA -0.254 4.297 4.550 0.002 0.000 0.284 247 Y C 1.889 177.513 175.900 -0.460 0.000 1.154 247 Y CA 2.051 59.465 58.100 -1.143 0.000 1.149 247 Y CB -0.409 37.260 38.460 -1.319 0.000 0.976 247 Y HN 0.125 8.405 8.280 -0.000 0.000 0.505 248 M N -0.132 119.167 119.600 -0.501 0.000 2.080 248 M HA -0.220 4.261 4.480 0.002 0.000 0.260 248 M C 2.469 178.602 176.300 -0.278 0.000 1.068 248 M CA 2.100 57.143 55.300 -0.428 0.000 1.109 248 M CB -0.591 31.874 32.600 -0.226 0.000 1.342 248 M HN 0.391 8.681 8.290 -0.000 0.000 0.405 249 A N -0.111 122.607 122.820 -0.169 0.000 1.929 249 A HA -0.133 4.188 4.320 0.002 0.000 0.216 249 A C 1.936 179.487 177.584 -0.055 0.000 1.176 249 A CA 1.464 53.447 52.037 -0.090 0.000 0.628 249 A CB -0.587 18.387 19.000 -0.043 0.000 0.816 249 A HN 0.530 8.680 8.150 -0.000 0.000 0.444 250 E N -0.328 119.858 120.200 -0.023 0.000 2.152 250 E HA -0.075 4.276 4.350 0.002 0.000 0.192 250 E C 1.929 178.571 176.600 0.069 0.000 0.983 250 E CA 0.958 57.410 56.400 0.088 0.000 0.818 250 E CB -0.170 29.687 29.700 0.262 0.000 0.758 250 E HN 0.399 8.759 8.360 -0.000 0.000 0.467 251 V N 1.548 121.431 119.914 -0.050 0.000 2.295 251 V HA -0.276 3.845 4.120 0.002 0.000 0.246 251 V C 2.386 178.418 176.094 -0.104 0.000 1.049 251 V CA 2.159 64.406 62.300 -0.088 0.000 1.024 251 V CB -0.397 31.247 31.823 -0.299 0.000 0.648 251 V HN 0.289 8.479 8.190 -0.000 0.000 0.447 252 E N 0.659 120.784 120.200 -0.125 0.000 2.110 252 E HA -0.206 4.145 4.350 0.002 0.000 0.193 252 E C 2.146 178.705 176.600 -0.068 0.000 0.988 252 E CA 1.526 57.860 56.400 -0.109 0.000 0.804 252 E CB -0.117 29.511 29.700 -0.121 0.000 0.745 252 E HN 0.736 9.096 8.360 -0.000 0.000 0.458 253 S N -1.308 114.368 115.700 -0.040 0.000 2.527 253 S HA 0.154 4.625 4.470 0.002 0.000 0.222 253 S C 1.641 176.237 174.600 -0.006 0.000 0.985 253 S CA 0.477 58.667 58.200 -0.016 0.000 0.921 253 S CB 0.379 63.581 63.200 0.003 0.000 0.772 253 S HN 0.521 8.831 8.310 -0.000 0.000 0.529 254 G N 0.513 109.309 108.800 -0.007 0.000 2.159 254 G HA2 -0.295 3.666 3.960 0.002 0.000 0.256 254 G HA3 -0.295 3.666 3.960 0.002 0.000 0.256 254 G C 0.713 175.633 174.900 0.033 0.000 0.977 254 G CA 0.282 45.380 45.100 -0.004 0.000 0.652 254 G HN 0.578 8.868 8.290 -0.000 0.000 0.531 255 V N -0.942 119.016 119.914 0.074 0.000 2.490 255 V HA 0.090 4.211 4.120 0.002 0.000 0.250 255 V C 1.144 177.363 176.094 0.209 0.000 1.061 255 V CA 2.057 64.429 62.300 0.121 0.000 1.064 255 V CB -0.290 31.611 31.823 0.130 0.000 0.670 255 V HN 0.579 8.769 8.190 -0.000 0.000 0.461 256 Y N 1.188 121.547 120.300 0.098 0.000 2.409 256 Y HA 0.577 5.128 4.550 0.002 0.000 0.343 256 Y C -2.788 173.155 175.900 0.071 0.000 0.973 256 Y CA -3.504 54.672 58.100 0.126 0.000 1.064 256 Y CB 2.020 40.632 38.460 0.253 0.000 1.207 256 Y HN -0.005 8.275 8.280 -0.000 0.000 0.452 257 P HA 0.276 4.696 4.420 -0.000 0.000 0.275 257 P C -0.256 176.983 177.300 -0.103 0.000 1.228 257 P CA -0.045 62.592 63.100 -0.773 0.000 0.786 257 P CB 1.087 32.389 31.700 -0.663 0.000 0.927 258 G N 0.863 109.793 108.800 0.218 0.000 2.537 258 G HA2 0.126 4.087 3.960 0.002 0.000 0.297 258 G HA3 0.126 4.087 3.960 0.002 0.000 0.297 258 G C 0.747 175.654 174.900 0.013 0.000 1.310 258 G CA -0.195 44.975 45.100 0.117 0.000 1.027 258 G HN 0.341 8.631 8.290 -0.000 0.000 0.505 259 E N -0.067 120.123 120.200 -0.017 0.000 2.118 259 E HA -0.163 4.188 4.350 0.002 0.000 0.195 259 E C 2.530 179.071 176.600 -0.099 0.000 0.992 259 E CA 1.545 57.933 56.400 -0.020 0.000 0.804 259 E CB -0.014 29.695 29.700 0.014 0.000 0.741 259 E HN 0.676 9.036 8.360 -0.000 0.000 0.458 260 E N -0.414 119.668 120.200 -0.198 0.000 2.333 260 E HA -0.226 4.125 4.350 0.002 0.000 0.198 260 E C 0.665 177.025 176.600 -0.400 0.000 1.007 260 E CA 1.346 57.560 56.400 -0.309 0.000 0.845 260 E CB -0.462 29.000 29.700 -0.397 0.000 0.766 260 E HN 0.562 8.922 8.360 -0.000 0.000 0.507 261 H N -0.155 118.837 119.070 -0.130 0.000 2.549 261 H HA 0.314 4.871 4.556 0.002 0.000 0.279 261 H C -0.180 174.956 175.328 -0.320 0.000 1.018 261 H CA -0.112 55.831 56.048 -0.174 0.000 1.175 261 H CB 0.782 30.483 29.762 -0.103 0.000 1.485 261 H HN -0.030 8.250 8.280 -0.000 0.000 0.543 262 S N 0.193 115.711 115.700 -0.303 0.000 2.566 262 S HA 0.457 4.928 4.470 0.002 0.000 0.298 262 S C -0.726 173.532 174.600 -0.570 0.000 1.083 262 S CA -0.824 57.143 58.200 -0.389 0.000 0.978 262 S CB 1.440 64.483 63.200 -0.262 0.000 1.073 262 S HN 0.084 8.394 8.310 -0.000 0.000 0.491 263 F N 1.268 121.082 119.950 -0.226 0.000 2.483 263 F HA 0.577 5.105 4.527 0.002 0.000 0.329 263 F C 1.095 176.609 175.800 -0.477 0.000 1.064 263 F CA -0.694 57.174 58.000 -0.220 0.000 0.986 263 F CB 1.101 40.048 39.000 -0.089 0.000 1.218 263 F HN 0.473 8.773 8.300 -0.000 0.000 0.484 264 H N 0.000 119.190 119.070 0.201 0.000 2.539 264 H HA 0.000 4.557 4.556 0.002 0.000 0.296 264 H CA 0.000 56.109 56.048 0.101 0.000 1.023 264 H CB 0.000 29.798 29.762 0.059 0.000 1.292 264 H HN 0.000 8.280 8.280 -0.000 0.000 0.496