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 1i1w_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAQSVDQLIK ARGKVYFGVA TDQNRLTTGK NAAIIQANFG QVTPENSMKW DATA SEQUENCE DATEPSQGNF NFAGADYLVN WAQQNGKLIR GHTLVWHSQL PSWVSSITDK DATA SEQUENCE NTLTNVMKNH ITTLMTRYKG KIRAWDVVNE AFNEDGSLRQ TVFLNVIGED DATA SEQUENCE YIPIAFQTAR AADPNAKLYI NDYNLDSASY PKTQAIVNRV KKWRAAGVPI DATA SEQUENCE DGIGSQTHLS AGQGASVLQA LPLLASAGTP EVAITELDVA GASSTDYVNV DATA SEQUENCE VNAcLNVSSc VGITVWGVAD PDSWRASTTP LLFDGNFNPK PAYNAIVQNL DATA SEQUENCE QQ 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 2 A HA 0.000 4.309 4.320 -0.019 0.000 0.244 2 A C 0.000 177.589 177.584 0.008 0.000 1.274 2 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 2 A CB 0.000 18.855 19.000 -0.242 0.000 0.831 3 A N 0.057 122.889 122.820 0.020 0.000 1.908 3 A HA -0.183 4.143 4.320 0.011 0.000 0.218 3 A C 0.116 177.717 177.584 0.028 0.000 1.181 3 A CA 1.664 53.713 52.037 0.019 0.000 0.627 3 A CB 0.251 19.261 19.000 0.016 0.000 0.818 3 A HN 0.151 8.311 8.150 0.017 0.000 0.445 4 Q N -1.927 117.908 119.800 0.058 0.000 2.271 4 Q HA 0.156 4.507 4.340 0.018 0.000 0.258 4 Q C -1.160 174.882 176.000 0.070 0.000 0.936 4 Q CA -1.188 54.641 55.803 0.045 0.000 0.909 4 Q CB 1.818 30.572 28.738 0.027 0.000 1.253 4 Q HN -0.175 8.146 8.270 0.084 0.000 0.440 5 S N 3.283 118.982 115.700 -0.001 0.000 2.438 5 S HA 0.348 4.797 4.470 -0.035 0.000 0.293 5 S C 1.393 175.911 174.600 -0.137 0.000 1.141 5 S CA -2.313 55.855 58.200 -0.053 0.000 1.080 5 S CB 0.659 63.829 63.200 -0.051 0.000 0.978 5 S HN 0.502 8.805 8.310 -0.011 0.000 0.479 6 V N 6.340 126.073 119.914 -0.301 0.000 2.594 6 V HA -0.343 3.576 4.120 -0.336 0.000 0.253 6 V C 0.815 176.815 176.094 -0.157 0.000 1.069 6 V CA 3.020 65.067 62.300 -0.421 0.000 1.082 6 V CB -0.567 30.681 31.823 -0.959 0.000 0.680 6 V HN -0.068 7.942 8.190 -0.300 0.000 0.469 7 D N -0.369 119.980 120.400 -0.084 0.000 2.097 7 D HA -0.306 4.489 4.640 0.257 0.000 0.197 7 D C 1.846 178.195 176.300 0.081 0.000 0.984 7 D CA 3.766 57.842 54.000 0.126 0.000 0.826 7 D CB 0.297 41.202 40.800 0.176 0.000 0.973 7 D HN -0.529 7.707 8.370 -0.192 0.020 0.460 8 Q N -0.681 119.133 119.800 0.024 0.000 2.096 8 Q HA -0.339 4.023 4.340 0.036 0.000 0.204 8 Q C 2.869 178.879 176.000 0.017 0.000 0.982 8 Q CA 3.096 58.912 55.803 0.021 0.000 0.850 8 Q CB 0.208 28.948 28.738 0.003 0.000 0.901 8 Q HN -0.502 7.766 8.270 -0.003 0.000 0.422 9 L N -1.660 119.560 121.223 -0.004 0.000 2.093 9 L HA -0.323 4.014 4.340 -0.006 0.000 0.208 9 L C 2.389 179.273 176.870 0.024 0.000 1.085 9 L CA 2.921 57.757 54.840 -0.007 0.000 0.755 9 L CB -0.091 41.941 42.059 -0.044 0.000 0.904 9 L HN -0.447 7.769 8.230 -0.025 0.000 0.435 10 I N -1.038 119.570 120.570 0.063 0.000 2.439 10 I HA -0.487 3.721 4.170 0.064 0.000 0.251 10 I C 1.313 177.460 176.117 0.051 0.000 1.139 10 I CA 3.092 64.442 61.300 0.083 0.000 1.438 10 I CB -0.219 37.884 38.000 0.171 0.000 1.085 10 I HN -0.188 8.065 8.210 0.073 0.000 0.427 11 K N 0.028 120.463 120.400 0.058 0.000 2.097 11 K HA -0.232 4.334 4.320 0.040 -0.222 0.206 11 K C 2.831 179.448 176.600 0.028 0.000 1.049 11 K CA 3.220 59.534 56.287 0.045 0.000 0.933 11 K CB -0.227 32.307 32.500 0.057 0.000 0.717 11 K HN -0.256 8.037 8.250 0.071 0.000 0.442 12 A N -1.891 120.943 122.820 0.023 0.000 2.168 12 A HA -0.062 4.267 4.320 0.014 0.000 0.215 12 A C 0.751 178.341 177.584 0.011 0.000 1.152 12 A CA 2.103 54.148 52.037 0.014 0.000 0.716 12 A CB -0.630 18.376 19.000 0.009 0.000 0.794 12 A HN -0.276 7.872 8.150 0.026 0.017 0.465 13 R N -3.144 117.364 120.500 0.012 0.000 2.359 13 R HA 0.079 4.423 4.340 0.006 0.000 0.231 13 R C 0.188 176.490 176.300 0.004 0.000 0.913 13 R CA -0.813 55.292 56.100 0.008 0.000 1.075 13 R CB 0.231 30.537 30.300 0.009 0.000 1.087 13 R HN -0.717 7.398 8.270 0.017 0.165 0.515 14 G N -1.051 107.753 108.800 0.007 0.000 2.157 14 G HA2 -0.320 3.645 3.960 0.009 0.000 0.239 14 G HA3 -0.320 3.641 3.960 0.002 0.000 0.239 14 G C 0.156 175.054 174.900 -0.003 0.000 0.982 14 G CA -0.011 45.091 45.100 0.004 0.000 0.650 14 G HN -0.191 7.919 8.290 0.011 0.187 0.527 15 K N -0.798 119.595 120.400 -0.011 0.000 2.102 15 K HA 0.244 4.533 4.320 -0.052 0.000 0.244 15 K C 0.479 177.063 176.600 -0.027 0.000 1.021 15 K CA -2.289 53.970 56.287 -0.045 0.000 0.913 15 K CB 0.759 33.209 32.500 -0.083 0.000 1.062 15 K HN -0.580 7.617 8.250 -0.004 0.051 0.485 16 V N -0.472 119.401 119.914 -0.069 0.000 2.446 16 V HA -0.067 4.098 4.120 0.076 0.000 0.244 16 V C 0.041 176.216 176.094 0.135 0.000 1.039 16 V CA 1.507 63.833 62.300 0.044 0.000 1.045 16 V CB 0.620 32.521 31.823 0.131 0.000 0.681 16 V HN 0.248 8.352 8.190 -0.144 0.000 0.459 17 Y N -8.105 112.242 120.300 0.080 0.000 2.677 17 Y HA 0.258 5.063 4.550 0.145 -0.168 0.334 17 Y C -2.856 173.150 175.900 0.178 0.000 1.196 17 Y CA -1.922 56.255 58.100 0.128 0.000 1.059 17 Y CB 1.527 40.051 38.460 0.107 0.000 1.315 17 Y HN -0.834 7.182 8.280 -0.441 0.000 0.455 18 F N 1.818 121.959 119.950 0.318 0.000 2.499 18 F HA 0.806 5.719 4.527 0.329 -0.189 0.333 18 F C -1.368 174.777 175.800 0.575 0.000 1.138 18 F CA -2.195 56.030 58.000 0.375 0.000 0.945 18 F CB 3.605 42.761 39.000 0.260 0.000 1.181 18 F HN 0.137 9.089 8.300 0.555 -0.320 0.435 19 G N 4.410 113.699 108.800 0.815 0.000 3.105 19 G HA2 0.664 4.971 3.960 0.543 0.000 0.277 19 G HA3 0.664 5.095 3.960 0.285 -0.300 0.277 19 G C -3.519 171.451 174.900 0.116 0.000 1.375 19 G CA -1.739 43.636 45.100 0.458 0.000 0.962 19 G HN 0.751 9.439 8.290 0.663 0.000 0.541 20 V N -2.409 117.412 119.914 -0.154 0.000 3.087 20 V HA 0.915 5.134 4.120 -0.182 -0.208 0.306 20 V C -2.261 173.666 176.094 -0.277 0.000 1.187 20 V CA -2.363 59.754 62.300 -0.304 0.000 0.999 20 V CB 4.809 36.194 31.823 -0.730 0.000 1.049 20 V HN -0.147 7.984 8.190 -0.099 0.000 0.431 21 A N 4.999 127.582 122.820 -0.395 0.000 2.425 21 A HA 0.805 4.993 4.320 -0.584 -0.219 0.249 21 A C -1.005 176.286 177.584 -0.488 0.000 1.084 21 A CA -0.678 50.960 52.037 -0.666 0.000 0.781 21 A CB 0.996 19.094 19.000 -1.504 0.000 1.019 21 A HN 0.130 8.077 8.150 -0.338 0.000 0.490 22 T N 2.053 116.365 114.554 -0.403 0.000 2.653 22 T HA 0.238 4.399 4.350 -0.315 0.000 0.306 22 T C -2.178 172.371 174.700 -0.252 0.000 1.426 22 T CA -1.103 60.806 62.100 -0.317 0.000 1.008 22 T CB 1.470 70.150 68.868 -0.313 0.000 1.692 22 T HN 0.444 8.448 8.240 -0.393 0.000 0.483 23 D N -2.257 118.006 120.400 -0.229 0.000 2.764 23 D HA 0.239 4.801 4.640 -0.129 0.000 0.293 23 D C -0.951 175.222 176.300 -0.212 0.000 1.287 23 D CA -0.040 53.861 54.000 -0.165 0.000 0.768 23 D CB 2.485 43.216 40.800 -0.114 0.000 1.288 23 D HN -0.059 8.156 8.370 -0.258 0.000 0.426 24 Q N 1.131 120.801 119.800 -0.216 0.000 2.112 24 Q HA -0.490 3.523 4.340 -0.546 0.000 0.206 24 Q C 1.247 177.031 176.000 -0.359 0.000 0.987 24 Q CA 4.782 60.306 55.803 -0.466 0.000 0.858 24 Q CB 0.132 28.466 28.738 -0.674 0.000 0.905 24 Q HN 0.749 8.931 8.270 -0.146 0.000 0.420 25 N N -3.347 115.213 118.700 -0.234 0.000 2.149 25 N HA -0.278 4.357 4.740 -0.175 0.000 0.188 25 N C 1.842 177.260 175.510 -0.153 0.000 1.019 25 N CA 2.870 55.819 53.050 -0.168 0.000 0.857 25 N CB -1.105 37.318 38.487 -0.106 0.000 0.997 25 N HN 0.279 8.526 8.380 -0.201 0.012 0.426 26 R N -0.264 120.134 120.500 -0.170 0.000 2.062 26 R HA -0.107 4.170 4.340 -0.106 0.000 0.226 26 R C 2.403 178.578 176.300 -0.209 0.000 1.125 26 R CA 1.293 57.299 56.100 -0.157 0.000 0.966 26 R CB -0.479 29.722 30.300 -0.165 0.000 0.861 26 R HN -0.658 7.488 8.270 -0.185 0.014 0.433 27 L N -2.389 118.655 121.223 -0.299 0.000 2.191 27 L HA -0.195 3.899 4.340 -0.410 0.000 0.212 27 L C 1.314 178.049 176.870 -0.224 0.000 1.103 27 L CA 2.510 57.124 54.840 -0.378 0.000 0.769 27 L CB -0.227 41.478 42.059 -0.591 0.000 0.908 27 L HN -0.019 8.025 8.230 -0.310 0.000 0.438 28 T N -8.819 105.623 114.554 -0.188 0.000 3.186 28 T HA 0.064 4.372 4.350 -0.070 0.000 0.257 28 T C 0.013 174.655 174.700 -0.095 0.000 1.029 28 T CA -0.217 61.812 62.100 -0.118 0.000 0.916 28 T CB 0.218 68.998 68.868 -0.148 0.000 1.041 28 T HN -0.598 7.465 8.240 -0.219 0.045 0.562 29 T N 1.137 115.627 114.554 -0.106 0.000 2.864 29 T HA 0.131 4.441 4.350 -0.067 0.000 0.299 29 T C -0.765 173.867 174.700 -0.113 0.000 1.166 29 T CA -0.989 61.065 62.100 -0.076 0.000 1.007 29 T CB 1.025 69.870 68.868 -0.039 0.000 1.219 29 T HN -0.581 7.512 8.240 -0.130 0.069 0.506 30 G N 4.343 113.084 108.800 -0.099 0.000 2.574 30 G HA2 -0.276 3.595 3.960 -0.149 0.000 0.282 30 G HA3 -0.276 3.566 3.960 -0.197 0.000 0.282 30 G C -1.068 173.507 174.900 -0.541 0.000 1.257 30 G CA 0.554 45.503 45.100 -0.252 0.000 0.956 30 G HN 0.308 8.567 8.290 -0.052 0.000 0.560 31 K N 0.928 120.582 120.400 -1.244 0.000 2.455 31 K HA 0.275 4.273 4.320 -0.538 0.000 0.206 31 K C 0.212 176.420 176.600 -0.653 0.000 1.027 31 K CA -0.579 55.170 56.287 -0.896 0.000 1.113 31 K CB -0.320 31.640 32.500 -0.900 0.000 0.850 31 K HN 0.194 7.101 8.250 -2.239 0.000 0.503 32 N N 1.386 119.771 118.700 -0.526 0.000 2.069 32 N HA -0.338 4.254 4.740 -0.247 0.000 0.191 32 N C 1.305 176.684 175.510 -0.219 0.000 1.031 32 N CA 3.875 56.757 53.050 -0.281 0.000 0.852 32 N CB -0.380 37.992 38.487 -0.192 0.000 1.018 32 N HN -0.782 7.205 8.380 -0.543 0.067 0.423 33 A N -0.721 121.982 122.820 -0.194 0.000 1.883 33 A HA -0.289 3.938 4.320 -0.155 0.000 0.217 33 A C 1.432 179.072 177.584 0.092 0.000 1.186 33 A CA 3.426 55.431 52.037 -0.054 0.000 0.624 33 A CB -0.888 18.137 19.000 0.042 0.000 0.822 33 A HN 0.370 8.390 8.150 -0.215 0.000 0.444 34 A N -1.988 120.823 122.820 -0.015 0.000 1.902 34 A HA -0.219 4.340 4.320 0.048 -0.211 0.217 34 A C 2.277 179.845 177.584 -0.028 0.000 1.181 34 A CA 2.441 54.473 52.037 -0.008 0.000 0.623 34 A CB -0.587 18.375 19.000 -0.063 0.000 0.818 34 A HN -0.188 7.913 8.150 -0.082 0.000 0.443 35 I N -0.973 119.528 120.570 -0.114 0.000 2.179 35 I HA -0.531 3.540 4.170 -0.164 0.000 0.242 35 I C 2.088 178.228 176.117 0.038 0.000 1.088 35 I CA 4.448 65.652 61.300 -0.160 0.000 1.357 35 I CB 0.051 37.788 38.000 -0.439 0.000 1.051 35 I HN -0.576 7.533 8.210 -0.168 0.000 0.409 36 I N -0.791 119.857 120.570 0.130 0.000 2.226 36 I HA -0.648 3.836 4.170 0.524 0.000 0.245 36 I C 2.226 178.534 176.117 0.319 0.000 1.100 36 I CA 4.203 65.698 61.300 0.324 0.000 1.374 36 I CB -0.475 37.658 38.000 0.222 0.000 1.057 36 I HN -0.318 7.919 8.210 0.045 0.000 0.413 37 Q N -0.927 119.041 119.800 0.280 0.000 2.077 37 Q HA -0.444 3.977 4.340 0.135 0.000 0.206 37 Q C 3.092 179.138 176.000 0.077 0.000 0.989 37 Q CA 3.334 59.230 55.803 0.155 0.000 0.853 37 Q CB -0.292 28.508 28.738 0.103 0.000 0.907 37 Q HN 0.033 8.483 8.270 0.301 0.000 0.418 38 A N -1.800 121.049 122.820 0.047 0.000 1.897 38 A HA -0.171 4.150 4.320 0.001 0.000 0.215 38 A C 1.026 178.594 177.584 -0.027 0.000 1.181 38 A CA 2.506 54.544 52.037 0.002 0.000 0.620 38 A CB -0.253 18.736 19.000 -0.019 0.000 0.821 38 A HN -0.285 7.897 8.150 0.053 0.000 0.443 39 N N -6.481 112.172 118.700 -0.079 0.000 2.210 39 N HA 0.222 4.850 4.740 -0.186 0.000 0.203 39 N C -1.007 174.177 175.510 -0.544 0.000 1.175 39 N CA 0.648 53.518 53.050 -0.300 0.000 0.894 39 N CB 3.264 41.491 38.487 -0.432 0.000 1.041 39 N HN -0.480 7.891 8.380 -0.015 0.000 0.506 40 F N -2.386 117.642 119.950 0.131 0.000 2.593 40 F HA 0.540 5.302 4.527 0.206 -0.112 0.320 40 F C -0.778 175.118 175.800 0.159 0.000 1.060 40 F CA -1.206 56.899 58.000 0.176 0.000 0.940 40 F CB 3.826 42.937 39.000 0.184 0.000 1.268 40 F HN -0.497 7.874 8.300 0.118 0.000 0.475 41 G N -2.974 106.063 108.800 0.394 0.000 3.441 41 G HA2 0.190 4.266 3.960 0.192 0.000 0.263 41 G HA3 0.190 4.611 3.960 0.254 -0.308 0.263 41 G C -2.344 172.667 174.900 0.185 0.000 1.014 41 G CA -0.388 44.864 45.100 0.253 0.000 0.833 41 G HN 0.624 9.219 8.290 0.508 0.000 0.514 42 Q N -0.783 119.123 119.800 0.176 0.000 2.426 42 Q HA 0.736 5.308 4.340 -0.064 -0.270 0.278 42 Q C -2.328 173.663 176.000 -0.016 0.000 1.007 42 Q CA -0.667 55.117 55.803 -0.032 0.000 0.850 42 Q CB 3.777 32.314 28.738 -0.335 0.000 1.427 42 Q HN -0.642 7.790 8.270 0.271 0.000 0.391 43 V N -0.796 119.063 119.914 -0.091 0.000 2.876 43 V HA 1.091 5.395 4.120 -0.115 -0.252 0.312 43 V C -1.541 174.450 176.094 -0.173 0.000 1.085 43 V CA -2.964 59.274 62.300 -0.104 0.000 0.945 43 V CB 3.254 35.059 31.823 -0.030 0.000 1.017 43 V HN 0.849 8.963 8.190 -0.127 0.000 0.428 44 T N 5.828 120.268 114.554 -0.191 0.000 2.792 44 T HA 0.761 5.172 4.350 -0.174 -0.166 0.280 44 T C -2.040 172.540 174.700 -0.199 0.000 0.990 44 T CA -2.895 59.098 62.100 -0.178 0.000 0.960 44 T CB 1.733 70.537 68.868 -0.108 0.000 0.939 44 T HN 0.030 8.145 8.240 -0.210 0.000 0.439 45 P HA 0.067 4.700 4.420 -0.113 -0.281 0.266 45 P C -0.288 176.988 177.300 -0.040 0.000 1.215 45 P CA 0.003 63.061 63.100 -0.070 0.000 0.763 45 P CB 0.078 31.782 31.700 0.006 0.000 0.806 46 E N 3.595 123.696 120.200 -0.166 0.000 2.106 46 E HA -0.364 3.788 4.350 -0.329 0.000 0.192 46 E C 0.312 177.012 176.600 0.167 0.000 0.984 46 E CA 2.515 58.809 56.400 -0.175 0.000 0.806 46 E CB 0.743 30.245 29.700 -0.330 0.000 0.750 46 E HN 0.226 8.524 8.360 -0.195 -0.055 0.458 47 N N -5.188 113.595 118.700 0.137 0.000 2.113 47 N HA 0.137 5.043 4.740 0.277 0.000 0.236 47 N C 1.610 177.233 175.510 0.188 0.000 1.263 47 N CA 0.871 54.040 53.050 0.198 0.000 0.831 47 N CB 2.789 41.365 38.487 0.148 0.000 1.259 47 N HN -0.042 8.673 8.380 0.068 -0.294 0.469 48 S N 1.721 117.506 115.700 0.141 0.000 2.515 48 S HA -0.149 4.408 4.470 0.146 0.000 0.231 48 S C 0.979 175.706 174.600 0.212 0.000 0.987 48 S CA 2.879 61.169 58.200 0.150 0.000 0.936 48 S CB 0.166 63.434 63.200 0.113 0.000 0.766 48 S HN -0.270 8.326 8.310 0.106 -0.222 0.528 49 M N -0.591 119.152 119.600 0.239 0.000 2.356 49 M HA 0.072 4.761 4.480 0.348 0.000 0.262 49 M C -1.096 175.410 176.300 0.344 0.000 1.097 49 M CA -0.133 55.355 55.300 0.315 0.000 0.991 49 M CB 0.449 33.236 32.600 0.310 0.000 1.450 49 M HN -0.319 8.060 8.290 0.224 0.045 0.495 50 K N -0.367 120.223 120.400 0.317 0.000 2.149 50 K HA -0.052 4.485 4.320 0.362 0.000 0.245 50 K C 0.643 177.487 176.600 0.407 0.000 1.024 50 K CA -0.242 56.261 56.287 0.360 0.000 0.899 50 K CB 0.921 33.642 32.500 0.367 0.000 1.038 50 K HN -0.876 7.549 8.250 0.292 0.000 0.496 51 W N 2.124 123.547 121.300 0.203 0.000 2.381 51 W HA -0.112 4.710 4.660 0.270 0.000 0.301 51 W C 1.792 178.357 176.519 0.076 0.000 1.205 51 W CA 2.134 59.542 57.345 0.106 0.000 1.285 51 W CB 0.115 29.476 29.460 -0.165 0.000 1.133 51 W HN 0.665 9.167 8.180 0.537 0.000 0.521 52 D N -2.209 118.388 120.400 0.329 0.000 2.149 52 D HA -0.327 4.436 4.640 0.205 0.000 0.198 52 D C 0.997 177.413 176.300 0.193 0.000 0.990 52 D CA 2.816 56.937 54.000 0.202 0.000 0.839 52 D CB -1.616 39.239 40.800 0.091 0.000 0.948 52 D HN -0.426 8.119 8.370 0.292 0.000 0.460 53 A N -2.035 120.903 122.820 0.198 0.000 1.930 53 A HA -0.076 4.317 4.320 0.122 0.000 0.215 53 A C 1.146 178.803 177.584 0.120 0.000 1.176 53 A CA 2.289 54.418 52.037 0.152 0.000 0.632 53 A CB 0.098 19.197 19.000 0.166 0.000 0.819 53 A HN -0.579 7.689 8.150 0.229 0.019 0.445 54 T N -7.350 107.297 114.554 0.155 0.000 3.044 54 T HA 0.108 4.639 4.350 -0.069 -0.223 0.255 54 T C 0.654 175.301 174.700 -0.090 0.000 1.073 54 T CA 0.629 62.749 62.100 0.034 0.000 1.125 54 T CB 1.960 70.924 68.868 0.160 0.000 0.908 54 T HN -0.659 7.718 8.240 0.228 0.000 0.480 55 E N 1.387 121.604 120.200 0.029 0.000 3.935 55 E HA 0.662 4.740 4.350 -0.454 0.000 0.226 55 E C -2.083 174.689 176.600 0.286 0.000 1.220 55 E CA -3.690 52.629 56.400 -0.135 0.000 1.226 55 E CB 1.353 30.875 29.700 -0.296 0.000 1.237 55 E HN -0.272 8.210 8.360 0.204 0.000 0.417 56 P HA -0.042 4.563 4.420 0.307 0.000 0.221 56 P C -0.658 176.820 177.300 0.297 0.000 1.150 56 P CA 1.159 64.405 63.100 0.244 0.000 0.800 56 P CB 0.445 32.209 31.700 0.106 0.000 0.787 57 S N -1.874 113.839 115.700 0.023 0.000 2.542 57 S HA 0.303 4.494 4.470 -0.466 0.000 0.293 57 S C -1.681 172.495 174.600 -0.707 0.000 1.089 57 S CA -0.877 57.109 58.200 -0.357 0.000 0.961 57 S CB 2.741 65.786 63.200 -0.257 0.000 1.062 57 S HN -0.488 7.784 8.310 -0.036 0.017 0.483 58 Q N 3.959 122.859 119.800 -1.499 0.000 2.263 58 Q HA -0.545 2.950 4.340 -1.617 -0.126 0.289 58 Q C 1.696 177.345 176.000 -0.584 0.000 1.061 58 Q CA 2.005 56.942 55.803 -1.444 0.000 0.927 58 Q CB -0.105 27.727 28.738 -1.510 0.000 1.154 58 Q HN 0.419 7.657 8.270 -1.720 0.000 0.378 59 G N 6.958 115.541 108.800 -0.361 0.000 2.189 59 G HA2 -0.508 3.565 3.960 0.188 0.000 0.267 59 G HA3 -0.508 3.433 3.960 -0.031 0.000 0.267 59 G C -0.755 174.135 174.900 -0.017 0.000 0.975 59 G CA 0.280 45.347 45.100 -0.055 0.000 0.644 59 G HN 0.721 9.145 8.290 -0.384 -0.364 0.537 60 N N 0.867 119.444 118.700 -0.205 0.000 2.898 60 N HA 0.244 4.998 4.740 0.022 0.000 0.245 60 N C -1.587 173.842 175.510 -0.135 0.000 1.185 60 N CA -2.069 50.931 53.050 -0.084 0.000 0.879 60 N CB 0.308 38.745 38.487 -0.084 0.000 1.157 60 N HN -0.452 7.641 8.380 -0.355 0.074 0.503 61 F N 1.466 121.352 119.950 -0.108 0.000 2.410 61 F HA 0.201 4.762 4.527 -0.263 -0.192 0.334 61 F C 0.689 176.290 175.800 -0.332 0.000 1.134 61 F CA 0.289 58.111 58.000 -0.298 0.000 1.227 61 F CB 1.078 39.806 39.000 -0.453 0.000 1.194 61 F HN -0.312 8.208 8.300 0.367 0.000 0.571 62 N N 2.547 121.072 118.700 -0.292 0.000 2.573 62 N HA 0.192 4.903 4.740 -0.048 0.000 0.262 62 N C -1.066 174.329 175.510 -0.192 0.000 1.029 62 N CA -0.819 52.145 53.050 -0.142 0.000 0.882 62 N CB 0.562 39.026 38.487 -0.037 0.000 1.204 62 N HN 0.274 8.317 8.380 -0.378 0.111 0.519 63 F N 3.876 123.939 119.950 0.187 0.000 2.664 63 F HA 0.168 4.842 4.527 0.245 0.000 0.303 63 F C 0.260 176.177 175.800 0.195 0.000 1.092 63 F CA -0.853 57.273 58.000 0.209 0.000 1.305 63 F CB -0.421 38.685 39.000 0.178 0.000 1.054 63 F HN 0.468 8.872 8.300 0.174 0.000 0.565 64 A N 1.853 124.841 122.820 0.280 0.000 1.877 64 A HA -0.297 4.171 4.320 0.246 0.000 0.216 64 A C 1.536 179.262 177.584 0.237 0.000 1.186 64 A CA 3.537 55.712 52.037 0.232 0.000 0.620 64 A CB -0.810 18.282 19.000 0.154 0.000 0.822 64 A HN -0.154 8.348 8.150 0.218 -0.221 0.443 65 G N -3.571 105.345 108.800 0.192 0.000 2.402 65 G HA2 -0.360 3.831 3.960 0.130 0.000 0.216 65 G HA3 -0.360 3.668 3.960 0.113 0.000 0.216 65 G C 0.600 175.625 174.900 0.208 0.000 1.162 65 G CA 1.559 46.754 45.100 0.157 0.000 0.777 65 G HN 0.421 8.816 8.290 0.175 0.000 0.539 66 A N 2.496 125.469 122.820 0.256 0.000 1.902 66 A HA -0.187 4.212 4.320 0.130 0.000 0.217 66 A C 1.661 179.358 177.584 0.188 0.000 1.181 66 A CA 2.372 54.542 52.037 0.223 0.000 0.623 66 A CB -0.662 18.569 19.000 0.385 0.000 0.818 66 A HN 0.110 8.433 8.150 0.289 0.000 0.443 67 D N -0.755 119.844 120.400 0.331 0.000 2.117 67 D HA -0.281 4.551 4.640 0.321 0.000 0.197 67 D C 1.864 178.283 176.300 0.198 0.000 0.987 67 D CA 3.411 57.584 54.000 0.289 0.000 0.829 67 D CB -0.341 40.629 40.800 0.284 0.000 0.961 67 D HN -0.044 8.563 8.370 0.395 0.000 0.460 68 Y N 1.036 121.405 120.300 0.114 0.000 2.128 68 Y HA -0.413 4.202 4.550 0.108 0.000 0.284 68 Y C 1.712 177.670 175.900 0.096 0.000 1.154 68 Y CA 3.651 61.809 58.100 0.095 0.000 1.149 68 Y CB 0.148 38.646 38.460 0.064 0.000 0.976 68 Y HN -0.571 7.921 8.280 0.353 0.000 0.505 69 L N -1.457 119.928 121.223 0.269 0.000 2.017 69 L HA -0.336 4.140 4.340 0.227 0.000 0.208 69 L C 1.817 178.731 176.870 0.074 0.000 1.073 69 L CA 3.214 58.150 54.840 0.160 0.000 0.745 69 L CB -0.416 41.679 42.059 0.061 0.000 0.894 69 L HN -0.523 7.875 8.230 0.281 0.000 0.432 70 V N -1.287 118.608 119.914 -0.032 0.000 2.295 70 V HA -0.549 3.502 4.120 -0.114 0.000 0.246 70 V C 1.960 178.038 176.094 -0.026 0.000 1.049 70 V CA 4.694 66.940 62.300 -0.091 0.000 1.024 70 V CB -0.898 30.792 31.823 -0.222 0.000 0.648 70 V HN -0.025 8.141 8.190 -0.040 0.000 0.447 71 N N 0.156 118.848 118.700 -0.014 0.000 2.120 71 N HA -0.303 4.409 4.740 -0.046 0.000 0.188 71 N C 1.310 176.776 175.510 -0.073 0.000 1.024 71 N CA 3.540 56.560 53.050 -0.051 0.000 0.852 71 N CB -0.002 38.441 38.487 -0.074 0.000 1.003 71 N HN -0.169 8.211 8.380 0.000 0.000 0.424 72 W N 1.487 122.636 121.300 -0.251 0.000 2.355 72 W HA -0.224 4.482 4.660 -0.232 -0.186 0.309 72 W C 1.405 177.849 176.519 -0.125 0.000 1.206 72 W CA 3.997 61.209 57.345 -0.221 0.000 1.284 72 W CB 0.079 29.400 29.460 -0.231 0.000 1.145 72 W HN -0.110 8.088 8.180 0.031 0.000 0.502 73 A N -2.317 120.609 122.820 0.176 0.000 1.883 73 A HA -0.535 3.827 4.320 0.071 0.000 0.217 73 A C 2.322 179.820 177.584 -0.143 0.000 1.186 73 A CA 3.348 55.411 52.037 0.043 0.000 0.624 73 A CB -0.811 18.234 19.000 0.075 0.000 0.822 73 A HN 0.107 8.405 8.150 0.246 0.000 0.444 74 Q N -2.004 117.726 119.800 -0.117 0.000 2.061 74 Q HA -0.442 3.833 4.340 -0.109 0.000 0.204 74 Q C 3.474 179.363 176.000 -0.186 0.000 0.984 74 Q CA 3.273 59.001 55.803 -0.125 0.000 0.846 74 Q CB -0.086 28.601 28.738 -0.085 0.000 0.902 74 Q HN -0.242 7.980 8.270 -0.080 0.000 0.421 75 Q N -1.113 118.537 119.800 -0.250 0.000 2.135 75 Q HA -0.233 3.977 4.340 -0.215 0.000 0.204 75 Q C 1.576 177.359 176.000 -0.361 0.000 0.981 75 Q CA 2.837 58.463 55.803 -0.295 0.000 0.856 75 Q CB 0.042 28.568 28.738 -0.353 0.000 0.902 75 Q HN -0.127 7.998 8.270 -0.241 0.000 0.425 76 N N -4.487 113.904 118.700 -0.515 0.000 2.230 76 N HA 0.149 4.624 4.740 -0.441 0.000 0.202 76 N C -0.764 174.560 175.510 -0.311 0.000 1.119 76 N CA 0.171 52.893 53.050 -0.546 0.000 0.851 76 N CB 0.911 38.745 38.487 -1.087 0.000 0.990 76 N HN -0.634 7.276 8.380 -0.543 0.144 0.497 77 G N -0.480 108.191 108.800 -0.215 0.000 2.198 77 G HA2 -0.437 3.464 3.960 -0.099 0.000 0.257 77 G HA3 -0.437 3.465 3.960 -0.097 0.000 0.257 77 G C -0.508 174.350 174.900 -0.070 0.000 1.042 77 G CA 0.791 45.822 45.100 -0.115 0.000 0.791 77 G HN -0.613 7.477 8.290 -0.229 0.063 0.502 78 K N -0.575 119.781 120.400 -0.074 0.000 2.206 78 K HA 0.242 4.721 4.320 0.020 -0.147 0.264 78 K C 0.123 176.703 176.600 -0.035 0.000 0.967 78 K CA -2.220 54.063 56.287 -0.007 0.000 0.844 78 K CB 1.011 33.553 32.500 0.070 0.000 1.099 78 K HN -0.309 7.871 8.250 -0.118 0.000 0.441 79 L N 3.044 124.238 121.223 -0.048 0.000 2.473 79 L HA -0.043 4.243 4.340 -0.091 0.000 0.268 79 L C -0.582 176.186 176.870 -0.171 0.000 1.215 79 L CA 0.479 55.253 54.840 -0.110 0.000 0.823 79 L CB 0.657 42.635 42.059 -0.135 0.000 1.099 79 L HN -0.121 8.097 8.230 -0.021 0.000 0.483 80 I N -1.982 118.462 120.570 -0.211 0.000 2.498 80 I HA 0.647 4.882 4.170 -0.240 -0.209 0.290 80 I C -1.064 174.847 176.117 -0.343 0.000 1.032 80 I CA -1.520 59.624 61.300 -0.261 0.000 1.073 80 I CB 2.871 40.712 38.000 -0.265 0.000 1.251 80 I HN 0.238 8.332 8.210 -0.194 0.000 0.426 81 R N 4.930 125.215 120.500 -0.358 0.000 2.265 81 R HA 0.721 5.011 4.340 -0.411 -0.196 0.328 81 R C 0.301 176.350 176.300 -0.419 0.000 0.969 81 R CA -1.880 53.992 56.100 -0.380 0.000 0.832 81 R CB 1.700 31.810 30.300 -0.316 0.000 1.139 81 R HN 0.114 8.191 8.270 -0.321 0.000 0.457 82 G N 2.931 111.280 108.800 -0.752 0.000 2.442 82 G HA2 -0.055 3.471 3.960 -0.722 0.000 0.249 82 G HA3 -0.055 2.627 3.960 -2.131 0.000 0.249 82 G C -2.706 172.107 174.900 -0.145 0.000 1.263 82 G CA -0.485 44.039 45.100 -0.961 0.000 0.846 82 G HN 0.315 8.063 8.290 -0.903 0.000 0.555 83 H N 3.570 122.631 119.070 -0.014 0.000 3.149 83 H HA 0.285 4.927 4.556 0.145 0.000 0.334 83 H C -2.324 173.139 175.328 0.223 0.000 1.000 83 H CA -0.066 56.054 56.048 0.121 0.000 1.415 83 H CB 2.122 31.926 29.762 0.071 0.000 1.819 83 H HN 0.113 8.451 8.280 0.097 0.000 0.486 84 T N 4.222 118.735 114.554 -0.068 0.000 2.956 84 T HA 0.337 4.862 4.350 0.098 -0.116 0.312 84 T C -0.799 173.986 174.700 0.141 0.000 1.151 84 T CA -2.654 59.389 62.100 -0.096 0.000 1.024 84 T CB 2.107 70.609 68.868 -0.610 0.000 1.140 84 T HN -0.396 7.869 8.240 0.041 0.000 0.473 85 L N 5.009 126.310 121.223 0.129 0.000 2.127 85 L HA 0.108 4.560 4.340 0.187 0.000 0.203 85 L C 0.021 177.002 176.870 0.185 0.000 1.080 85 L CA 1.475 56.383 54.840 0.113 0.000 0.768 85 L CB 0.929 42.923 42.059 -0.109 0.000 0.924 85 L HN 0.032 8.321 8.230 0.099 0.000 0.444 86 V N -2.933 117.039 119.914 0.097 0.000 2.409 86 V HA 0.186 4.338 4.120 0.054 0.000 0.290 86 V C -2.336 173.872 176.094 0.189 0.000 1.017 86 V CA -1.134 61.166 62.300 -0.000 0.000 0.841 86 V CB 0.929 32.602 31.823 -0.249 0.000 1.003 86 V HN -0.591 7.628 8.190 0.049 0.000 0.426 87 W N 7.010 128.345 121.300 0.059 0.000 3.419 87 W HA 0.301 5.073 4.660 0.186 0.000 0.298 87 W C -1.231 175.384 176.519 0.160 0.000 1.260 87 W CA -0.437 56.982 57.345 0.123 0.000 1.199 87 W CB 2.721 32.194 29.460 0.022 0.000 1.349 87 W HN 0.116 8.504 8.180 0.346 0.000 0.557 88 H N 1.678 120.739 119.070 -0.016 0.000 2.512 88 H HA -0.091 4.363 4.556 -0.169 0.000 0.279 88 H C -0.872 174.106 175.328 -0.582 0.000 0.999 88 H CA 0.102 56.000 56.048 -0.250 0.000 1.283 88 H CB 0.076 29.752 29.762 -0.142 0.000 1.421 88 H HN 0.283 8.763 8.280 0.333 0.000 0.554 89 S N -0.157 114.458 115.700 -1.808 0.000 2.632 89 S HA -0.011 3.849 4.470 -1.016 0.000 0.271 89 S C -0.606 173.351 174.600 -1.072 0.000 1.260 89 S CA -0.120 57.128 58.200 -1.588 0.000 1.010 89 S CB 0.097 62.015 63.200 -2.137 0.000 0.965 89 S HN -0.334 6.397 8.310 -2.631 0.000 0.534 90 Q N -2.124 117.307 119.800 -0.615 0.000 2.453 90 Q HA -0.412 3.801 4.340 -0.212 0.000 0.294 90 Q C -2.037 173.831 176.000 -0.220 0.000 1.295 90 Q CA 0.648 56.282 55.803 -0.281 0.000 0.853 90 Q CB -1.758 26.924 28.738 -0.094 0.000 1.193 90 Q HN 0.356 8.292 8.270 -0.557 0.000 0.461 91 L N -1.986 119.022 121.223 -0.358 0.000 2.298 91 L HA 0.405 4.452 4.340 -0.489 0.000 0.284 91 L C -2.746 173.820 176.870 -0.507 0.000 1.013 91 L CA -3.484 51.062 54.840 -0.489 0.000 0.824 91 L CB 1.793 43.509 42.059 -0.571 0.000 1.221 91 L HN -0.281 7.701 8.230 -0.393 0.013 0.418 92 P HA 0.025 4.286 4.420 -0.265 0.000 0.268 92 P C 0.155 177.127 177.300 -0.547 0.000 1.208 92 P CA -0.305 62.515 63.100 -0.466 0.000 0.777 92 P CB 0.872 32.289 31.700 -0.471 0.000 0.875 93 S N 1.240 116.769 115.700 -0.286 0.000 2.419 93 S HA -0.065 4.231 4.470 -0.289 0.000 0.233 93 S C 1.785 176.280 174.600 -0.175 0.000 1.016 93 S CA 2.165 60.231 58.200 -0.223 0.000 0.974 93 S CB -0.144 62.999 63.200 -0.094 0.000 0.786 93 S HN 0.430 8.630 8.310 -0.183 0.000 0.492 94 W N -2.748 118.462 121.300 -0.149 0.000 2.392 94 W HA -0.197 4.399 4.660 -0.106 0.000 0.279 94 W C 0.272 176.695 176.519 -0.162 0.000 1.225 94 W CA 1.785 59.057 57.345 -0.122 0.000 1.233 94 W CB -1.448 27.966 29.460 -0.077 0.000 1.122 94 W HN -0.229 7.927 8.180 0.003 0.026 0.561 95 V N 0.503 119.883 119.914 -0.890 0.000 2.302 95 V HA -0.245 3.450 4.120 -0.709 0.000 0.243 95 V C 2.541 178.263 176.094 -0.621 0.000 1.036 95 V CA 2.578 64.310 62.300 -0.946 0.000 1.020 95 V CB -0.325 30.577 31.823 -1.535 0.000 0.657 95 V HN -0.473 6.979 8.190 -1.189 0.025 0.453 96 S N -1.087 114.254 115.700 -0.598 0.000 2.515 96 S HA -0.242 3.884 4.470 -0.573 0.000 0.231 96 S C 1.172 175.581 174.600 -0.317 0.000 0.987 96 S CA 2.273 60.182 58.200 -0.484 0.000 0.936 96 S CB -0.375 62.563 63.200 -0.436 0.000 0.766 96 S HN -0.558 7.373 8.310 -0.632 0.000 0.528 97 S N 0.541 116.100 115.700 -0.235 0.000 2.527 97 S HA 0.064 4.446 4.470 -0.146 0.000 0.222 97 S C -0.074 174.457 174.600 -0.116 0.000 0.985 97 S CA 1.007 59.121 58.200 -0.142 0.000 0.921 97 S CB 0.211 63.373 63.200 -0.065 0.000 0.772 97 S HN -0.712 7.405 8.310 -0.244 0.046 0.529 98 I N 1.708 122.196 120.570 -0.137 0.000 2.556 98 I HA -0.116 4.026 4.170 -0.046 0.000 0.284 98 I C -0.092 175.961 176.117 -0.107 0.000 1.114 98 I CA 1.163 62.411 61.300 -0.087 0.000 1.418 98 I CB 0.703 38.663 38.000 -0.066 0.000 1.394 98 I HN -0.770 7.275 8.210 -0.188 0.052 0.552 99 T N 0.394 114.908 114.554 -0.065 0.000 3.040 99 T HA 0.102 4.402 4.350 -0.084 0.000 0.266 99 T C -0.743 173.935 174.700 -0.036 0.000 1.005 99 T CA -1.108 60.955 62.100 -0.062 0.000 0.906 99 T CB 0.782 69.618 68.868 -0.053 0.000 1.082 99 T HN -0.146 8.067 8.240 -0.045 0.000 0.531 100 D N 1.850 122.239 120.400 -0.019 0.000 2.233 100 D HA 0.070 4.710 4.640 -0.000 0.000 0.240 100 D C 0.336 176.643 176.300 0.012 0.000 1.074 100 D CA -1.446 52.555 54.000 0.001 0.000 0.838 100 D CB 1.826 42.634 40.800 0.013 0.000 1.124 100 D HN -0.472 7.886 8.370 -0.020 0.000 0.475 101 K N 6.968 127.379 120.400 0.019 0.000 2.009 101 K HA -0.428 3.912 4.320 0.033 0.000 0.210 101 K C 0.825 177.458 176.600 0.054 0.000 1.049 101 K CA 4.144 60.452 56.287 0.036 0.000 0.929 101 K CB 0.138 32.660 32.500 0.038 0.000 0.714 101 K HN 0.608 8.867 8.250 0.015 0.000 0.440 102 N N -2.796 115.934 118.700 0.051 0.000 2.120 102 N HA -0.236 4.543 4.740 0.066 0.000 0.188 102 N C 2.076 177.631 175.510 0.075 0.000 1.024 102 N CA 2.870 55.956 53.050 0.060 0.000 0.852 102 N CB -0.714 37.803 38.487 0.050 0.000 1.003 102 N HN 0.132 8.537 8.380 0.042 0.000 0.424 103 T N 3.892 118.486 114.554 0.067 0.000 2.652 103 T HA -0.438 3.967 4.350 0.091 0.000 0.267 103 T C 1.824 176.595 174.700 0.118 0.000 1.039 103 T CA 4.518 66.670 62.100 0.086 0.000 1.153 103 T CB 0.022 68.931 68.868 0.068 0.000 0.863 103 T HN -0.330 8.231 8.240 0.054 -0.289 0.428 104 L N 0.521 121.800 121.223 0.094 0.000 2.093 104 L HA -0.217 4.206 4.340 0.137 0.000 0.208 104 L C 1.294 178.277 176.870 0.187 0.000 1.085 104 L CA 2.895 57.805 54.840 0.117 0.000 0.755 104 L CB -0.261 41.815 42.059 0.028 0.000 0.904 104 L HN -0.281 7.990 8.230 0.067 0.000 0.435 105 T N 2.698 117.343 114.554 0.152 0.000 2.684 105 T HA -0.510 3.952 4.350 0.186 0.000 0.267 105 T C 1.660 176.458 174.700 0.164 0.000 1.036 105 T CA 5.760 67.956 62.100 0.160 0.000 1.148 105 T CB -0.370 68.569 68.868 0.119 0.000 0.863 105 T HN 0.146 8.459 8.240 0.122 0.000 0.436 106 N N 1.178 119.967 118.700 0.148 0.000 2.188 106 N HA -0.193 4.621 4.740 0.124 0.000 0.184 106 N C 2.303 177.935 175.510 0.204 0.000 1.018 106 N CA 2.947 56.084 53.050 0.145 0.000 0.858 106 N CB -0.539 38.020 38.487 0.119 0.000 0.989 106 N HN -0.378 8.083 8.380 0.135 0.000 0.426 107 V N 1.550 121.624 119.914 0.266 0.000 2.287 107 V HA -0.463 3.896 4.120 0.397 0.000 0.248 107 V C 1.577 177.939 176.094 0.447 0.000 1.053 107 V CA 4.337 66.877 62.300 0.401 0.000 1.027 107 V CB -0.515 31.592 31.823 0.474 0.000 0.646 107 V HN -0.196 8.139 8.190 0.241 0.000 0.447 108 M N 0.437 120.291 119.600 0.424 0.000 2.086 108 M HA -0.527 4.306 4.480 0.589 0.000 0.261 108 M C 1.826 178.249 176.300 0.205 0.000 1.067 108 M CA 4.593 60.139 55.300 0.411 0.000 1.116 108 M CB -0.223 32.592 32.600 0.358 0.000 1.348 108 M HN 0.083 8.598 8.290 0.375 0.000 0.407 109 K N -2.034 118.458 120.400 0.154 0.000 2.057 109 K HA -0.448 3.891 4.320 0.031 0.000 0.207 109 K C 2.268 178.902 176.600 0.057 0.000 1.049 109 K CA 3.827 60.157 56.287 0.072 0.000 0.931 109 K CB -0.404 32.134 32.500 0.063 0.000 0.714 109 K HN -0.108 8.247 8.250 0.176 0.000 0.440 110 N N -1.222 117.552 118.700 0.124 0.000 2.166 110 N HA -0.293 4.479 4.740 0.053 0.000 0.186 110 N C 1.822 177.402 175.510 0.115 0.000 1.019 110 N CA 2.904 56.025 53.050 0.118 0.000 0.856 110 N CB -0.049 38.557 38.487 0.198 0.000 0.993 110 N HN -0.293 8.186 8.380 0.164 0.000 0.426 111 H N 1.408 120.507 119.070 0.047 0.000 2.321 111 H HA -0.244 4.402 4.556 0.151 0.000 0.300 111 H C 2.419 177.628 175.328 -0.198 0.000 1.087 111 H CA 4.102 60.087 56.048 -0.105 0.000 1.319 111 H CB 0.219 29.560 29.762 -0.702 0.000 1.379 111 H HN -0.399 8.038 8.280 0.261 0.000 0.501 112 I N -1.130 119.336 120.570 -0.174 0.000 2.127 112 I HA -0.614 3.330 4.170 -0.376 0.000 0.241 112 I C 1.805 177.728 176.117 -0.324 0.000 1.075 112 I CA 4.445 65.572 61.300 -0.288 0.000 1.334 112 I CB -0.001 37.870 38.000 -0.215 0.000 1.040 112 I HN -0.153 8.023 8.210 -0.056 0.000 0.405 113 T N 1.920 116.345 114.554 -0.215 0.000 2.788 113 T HA -0.363 3.857 4.350 -0.217 0.000 0.268 113 T C 2.057 176.604 174.700 -0.255 0.000 1.044 113 T CA 5.175 67.152 62.100 -0.205 0.000 1.139 113 T CB -0.128 68.664 68.868 -0.127 0.000 0.867 113 T HN -0.053 8.095 8.240 -0.153 0.000 0.454 114 T N 4.790 119.170 114.554 -0.290 0.000 2.708 114 T HA -0.385 3.747 4.350 -0.364 0.000 0.266 114 T C 1.393 175.848 174.700 -0.408 0.000 1.037 114 T CA 5.165 67.020 62.100 -0.408 0.000 1.146 114 T CB -0.017 68.448 68.868 -0.672 0.000 0.865 114 T HN -0.242 7.847 8.240 -0.250 0.000 0.435 115 L N 0.730 121.740 121.223 -0.355 0.000 2.017 115 L HA -0.295 3.981 4.340 -0.107 0.000 0.208 115 L C 1.766 178.517 176.870 -0.199 0.000 1.073 115 L CA 3.533 58.255 54.840 -0.196 0.000 0.745 115 L CB -0.229 41.728 42.059 -0.170 0.000 0.894 115 L HN -0.588 7.402 8.230 -0.399 0.000 0.432 116 M N -3.859 115.526 119.600 -0.359 0.000 2.254 116 M HA -0.436 4.014 4.480 -0.049 0.000 0.265 116 M C 1.670 177.912 176.300 -0.098 0.000 1.066 116 M CA 3.662 58.815 55.300 -0.245 0.000 1.123 116 M CB -0.064 32.260 32.600 -0.459 0.000 1.388 116 M HN -0.314 7.713 8.290 -0.437 0.000 0.425 117 T N -0.305 114.131 114.554 -0.196 0.000 2.821 117 T HA -0.251 4.026 4.350 -0.120 0.000 0.267 117 T C 2.743 177.296 174.700 -0.244 0.000 1.046 117 T CA 3.531 65.523 62.100 -0.179 0.000 1.139 117 T CB -0.424 68.340 68.868 -0.173 0.000 0.871 117 T HN -0.280 7.813 8.240 -0.245 0.000 0.454 118 R N 2.756 122.994 120.500 -0.437 0.000 2.105 118 R HA -0.317 3.689 4.340 -0.556 0.000 0.239 118 R C 1.380 177.306 176.300 -0.622 0.000 1.135 118 R CA 3.119 58.799 56.100 -0.700 0.000 0.967 118 R CB 0.184 29.715 30.300 -1.282 0.000 0.861 118 R HN -0.590 7.409 8.270 -0.452 0.000 0.442 119 Y N -6.587 113.679 120.300 -0.056 0.000 2.607 119 Y HA 0.113 4.646 4.550 -0.027 0.000 0.266 119 Y C -1.231 174.701 175.900 0.052 0.000 1.178 119 Y CA -2.189 55.922 58.100 0.019 0.000 1.226 119 Y CB -0.852 37.669 38.460 0.103 0.000 1.144 119 Y HN -0.846 7.282 8.280 -0.213 0.024 0.528 120 K N 1.116 121.573 120.400 0.094 0.000 2.511 120 K HA -0.593 3.986 4.320 0.135 -0.178 0.280 120 K C 1.205 177.855 176.600 0.083 0.000 1.008 120 K CA 1.921 58.261 56.287 0.087 0.000 1.050 120 K CB -0.408 32.101 32.500 0.014 0.000 0.889 120 K HN -0.794 7.381 8.250 0.003 0.076 0.484 121 G N 6.661 115.519 108.800 0.096 0.000 2.234 121 G HA2 -0.390 3.609 3.960 0.065 0.000 0.260 121 G HA3 -0.390 3.599 3.960 0.048 0.000 0.260 121 G C 0.418 175.352 174.900 0.056 0.000 0.987 121 G CA 0.712 45.851 45.100 0.065 0.000 0.625 121 G HN 0.402 9.085 8.290 0.121 -0.321 0.532 122 K N -1.374 119.068 120.400 0.071 0.000 2.361 122 K HA 0.045 4.372 4.320 0.013 0.000 0.194 122 K C -0.707 175.878 176.600 -0.025 0.000 1.032 122 K CA 0.362 56.666 56.287 0.029 0.000 1.048 122 K CB 0.968 33.500 32.500 0.053 0.000 0.842 122 K HN -0.341 7.892 8.250 0.108 0.082 0.526 123 I N -1.213 119.347 120.570 -0.016 0.000 2.355 123 I HA 0.183 4.222 4.170 -0.219 0.000 0.288 123 I C -0.599 175.461 176.117 -0.094 0.000 0.999 123 I CA -2.333 58.878 61.300 -0.148 0.000 1.163 123 I CB -0.747 37.086 38.000 -0.278 0.000 1.316 123 I HN -0.591 7.591 8.210 0.050 0.058 0.454 124 R N 8.274 128.700 120.500 -0.124 0.000 2.073 124 R HA -0.318 4.025 4.340 0.005 0.000 0.234 124 R C -0.956 175.349 176.300 0.009 0.000 1.134 124 R CA 2.879 58.953 56.100 -0.043 0.000 0.952 124 R CB 0.713 30.968 30.300 -0.076 0.000 0.850 124 R HN 0.091 8.257 8.270 -0.173 0.000 0.433 125 A N -5.964 116.803 122.820 -0.088 0.000 2.549 125 A HA 0.496 5.172 4.320 0.189 -0.243 0.297 125 A C -2.730 174.795 177.584 -0.097 0.000 1.061 125 A CA -0.990 51.063 52.037 0.027 0.000 0.690 125 A CB 3.003 21.981 19.000 -0.036 0.000 1.287 125 A HN -0.857 7.166 8.150 -0.211 0.000 0.402 126 W N -0.635 120.722 121.300 0.094 0.000 2.632 126 W HA 0.332 5.175 4.660 0.033 -0.163 0.328 126 W C -1.097 175.481 176.519 0.098 0.000 1.044 126 W CA -1.609 55.774 57.345 0.062 0.000 1.225 126 W CB 3.675 33.163 29.460 0.046 0.000 1.396 126 W HN 0.598 9.042 8.180 0.440 0.000 0.499 127 D N 4.349 124.944 120.400 0.327 0.000 2.435 127 D HA 0.156 5.090 4.640 0.289 -0.121 0.230 127 D C 0.402 176.811 176.300 0.182 0.000 1.215 127 D CA 0.330 54.480 54.000 0.250 0.000 0.947 127 D CB -0.952 39.966 40.800 0.196 0.000 1.048 127 D HN 0.300 8.845 8.370 0.291 0.000 0.512 128 V N 4.521 124.485 119.914 0.083 0.000 2.323 128 V HA -0.265 3.763 4.120 -0.154 0.000 0.244 128 V C -0.503 175.456 176.094 -0.225 0.000 1.041 128 V CA 2.677 64.846 62.300 -0.219 0.000 1.025 128 V CB 0.466 31.859 31.823 -0.717 0.000 0.656 128 V HN 0.123 8.411 8.190 0.163 0.000 0.451 129 V N -3.371 116.462 119.914 -0.135 0.000 2.540 129 V HA 0.149 4.430 4.120 -0.006 -0.165 0.302 129 V C -2.164 173.992 176.094 0.103 0.000 1.035 129 V CA -1.311 60.988 62.300 -0.002 0.000 0.873 129 V CB 2.720 34.554 31.823 0.019 0.000 0.992 129 V HN -0.990 7.163 8.190 -0.062 0.000 0.428 130 N N 5.142 123.897 118.700 0.091 0.000 2.342 130 N HA 0.384 5.297 4.740 0.031 -0.154 0.293 130 N C -0.722 174.926 175.510 0.231 0.000 1.026 130 N CA -1.603 51.445 53.050 -0.004 0.000 0.857 130 N CB 3.174 41.356 38.487 -0.507 0.000 1.256 130 N HN 0.149 8.607 8.380 0.130 0.000 0.484 131 E N 1.111 121.478 120.200 0.278 0.000 2.320 131 E HA -0.460 4.482 4.350 0.366 -0.372 0.234 131 E C -0.656 176.193 176.600 0.416 0.000 1.183 131 E CA 0.811 57.474 56.400 0.439 0.000 0.713 131 E CB -1.591 28.543 29.700 0.722 0.000 1.226 131 E HN 0.439 8.931 8.360 0.221 0.000 0.382 132 A N -3.124 119.901 122.820 0.342 0.000 2.167 132 A HA -0.006 4.460 4.320 0.244 0.000 0.214 132 A C -0.699 176.849 177.584 -0.059 0.000 1.151 132 A CA 1.273 53.417 52.037 0.178 0.000 0.735 132 A CB 0.793 19.844 19.000 0.086 0.000 0.802 132 A HN 0.063 8.435 8.150 0.371 0.000 0.467 133 F N -3.107 116.928 119.950 0.142 0.000 2.450 133 F HA 0.425 5.140 4.527 0.108 -0.123 0.332 133 F C -0.923 174.894 175.800 0.029 0.000 1.093 133 F CA -0.383 57.668 58.000 0.084 0.000 1.003 133 F CB 2.453 41.484 39.000 0.052 0.000 1.151 133 F HN -0.831 7.857 8.300 0.408 -0.144 0.474 134 N N 1.912 120.713 118.700 0.169 0.000 2.347 134 N HA -0.035 4.758 4.740 0.088 0.000 0.253 134 N C 1.028 176.608 175.510 0.117 0.000 1.274 134 N CA -0.331 52.786 53.050 0.111 0.000 0.941 134 N CB 0.848 39.378 38.487 0.072 0.000 1.200 134 N HN 0.344 8.809 8.380 0.141 0.000 0.514 135 E N -1.817 118.430 120.200 0.078 0.000 2.347 135 E HA -0.249 4.139 4.350 0.064 0.000 0.196 135 E C -0.100 176.530 176.600 0.050 0.000 1.008 135 E CA 2.364 58.803 56.400 0.065 0.000 0.852 135 E CB -0.230 29.509 29.700 0.065 0.000 0.783 135 E HN 0.437 8.841 8.360 0.074 0.000 0.505 136 D N -5.903 114.529 120.400 0.054 0.000 2.340 136 D HA -0.125 4.528 4.640 0.020 0.000 0.220 136 D C 0.823 177.163 176.300 0.066 0.000 1.039 136 D CA -0.466 53.559 54.000 0.041 0.000 0.866 136 D CB -0.685 40.133 40.800 0.030 0.000 0.913 136 D HN -0.302 8.069 8.370 0.060 0.035 0.523 137 G N -0.386 108.488 108.800 0.122 0.000 2.199 137 G HA2 -0.427 3.679 3.960 0.243 0.000 0.254 137 G HA3 -0.427 3.607 3.960 0.123 0.000 0.254 137 G C -0.358 174.705 174.900 0.271 0.000 0.982 137 G CA 0.272 45.489 45.100 0.195 0.000 0.632 137 G HN -0.236 7.957 8.290 0.132 0.177 0.529 138 S N 0.205 115.998 115.700 0.156 0.000 2.589 138 S HA -0.073 4.453 4.470 0.093 0.000 0.265 138 S C 0.041 174.675 174.600 0.056 0.000 1.342 138 S CA 0.390 58.650 58.200 0.099 0.000 1.005 138 S CB 1.504 64.735 63.200 0.052 0.000 0.909 138 S HN -0.594 7.969 8.310 0.120 -0.181 0.555 139 L N 0.293 121.494 121.223 -0.037 0.000 2.367 139 L HA 0.147 4.430 4.340 -0.310 -0.129 0.275 139 L C 0.635 177.483 176.870 -0.036 0.000 1.129 139 L CA -0.218 54.542 54.840 -0.133 0.000 0.839 139 L CB 1.065 43.080 42.059 -0.072 0.000 1.133 139 L HN 0.262 8.486 8.230 -0.011 0.000 0.453 140 R N 4.938 125.415 120.500 -0.039 0.000 2.484 140 R HA -0.179 4.320 4.340 -0.035 -0.179 0.293 140 R C -0.092 176.185 176.300 -0.038 0.000 1.023 140 R CA 0.486 56.564 56.100 -0.037 0.000 1.037 140 R CB 0.704 30.967 30.300 -0.061 0.000 0.951 140 R HN 0.127 8.245 8.270 -0.075 0.106 0.418 141 Q N 6.739 126.502 119.800 -0.061 0.000 3.184 141 Q HA 0.036 4.349 4.340 -0.045 0.000 0.288 141 Q C -0.391 175.538 176.000 -0.117 0.000 1.412 141 Q CA -0.098 55.665 55.803 -0.066 0.000 0.991 141 Q CB -2.377 26.329 28.738 -0.052 0.000 1.688 141 Q HN 0.476 8.708 8.270 -0.064 0.000 0.554 142 T N -3.662 110.813 114.554 -0.132 0.000 2.788 142 T HA 0.101 4.340 4.350 -0.184 0.000 0.280 142 T C 0.899 175.441 174.700 -0.264 0.000 0.984 142 T CA -2.171 59.824 62.100 -0.175 0.000 0.972 142 T CB 1.825 70.650 68.868 -0.072 0.000 1.039 142 T HN -0.258 7.857 8.240 -0.097 0.066 0.530 143 V N 0.675 120.339 119.914 -0.417 0.000 2.392 143 V HA -0.306 3.588 4.120 -0.376 0.000 0.249 143 V C 0.812 176.560 176.094 -0.577 0.000 1.059 143 V CA 2.864 64.845 62.300 -0.532 0.000 1.051 143 V CB -0.336 31.058 31.823 -0.715 0.000 0.658 143 V HN 0.396 8.333 8.190 -0.421 0.000 0.455 144 F N -1.952 117.749 119.950 -0.415 0.000 2.102 144 F HA -0.307 3.986 4.527 -0.391 0.000 0.298 144 F C 2.346 177.805 175.800 -0.568 0.000 1.105 144 F CA 4.172 61.819 58.000 -0.589 0.000 1.239 144 F CB -0.995 37.390 39.000 -1.025 0.000 0.991 144 F HN -0.928 6.874 8.300 -0.800 0.017 0.474 145 L N -0.105 120.891 121.223 -0.379 0.000 2.056 145 L HA -0.340 4.064 4.340 0.107 0.000 0.207 145 L C 1.580 178.433 176.870 -0.028 0.000 1.078 145 L CA 2.788 57.595 54.840 -0.056 0.000 0.749 145 L CB -0.189 41.907 42.059 0.062 0.000 0.901 145 L HN -0.660 7.326 8.230 -0.406 0.000 0.433 146 N N -1.306 117.335 118.700 -0.098 0.000 2.244 146 N HA -0.246 4.467 4.740 -0.044 0.000 0.183 146 N C 1.875 177.348 175.510 -0.062 0.000 1.016 146 N CA 2.839 55.843 53.050 -0.076 0.000 0.866 146 N CB 0.017 38.437 38.487 -0.112 0.000 0.980 146 N HN -0.146 8.143 8.380 -0.152 0.000 0.430 147 V N -2.512 117.349 119.914 -0.088 0.000 2.788 147 V HA -0.007 4.084 4.120 -0.048 0.000 0.241 147 V C 1.158 177.251 176.094 -0.003 0.000 1.083 147 V CA 1.349 63.613 62.300 -0.061 0.000 1.103 147 V CB 0.670 32.426 31.823 -0.112 0.000 0.800 147 V HN -0.362 7.725 8.190 -0.126 0.027 0.476 148 I N -4.404 116.183 120.570 0.027 0.000 2.480 148 I HA -0.138 4.084 4.170 0.087 0.000 0.251 148 I C -0.293 175.899 176.117 0.125 0.000 1.124 148 I CA 1.723 63.084 61.300 0.102 0.000 1.444 148 I CB 0.927 39.033 38.000 0.177 0.000 1.098 148 I HN -0.575 7.633 8.210 -0.003 0.000 0.428 149 G N -3.586 105.296 108.800 0.136 0.000 2.627 149 G HA2 -0.332 3.838 3.960 0.129 0.000 0.214 149 G HA3 -0.332 3.704 3.960 0.127 0.000 0.214 149 G C 0.060 175.117 174.900 0.262 0.000 1.331 149 G CA -0.509 44.685 45.100 0.156 0.000 0.891 149 G HN -1.013 7.253 8.290 0.107 0.088 0.539 150 E N 0.621 120.941 120.200 0.200 0.000 2.171 150 E HA -0.349 4.139 4.350 0.230 0.000 0.197 150 E C 1.613 178.312 176.600 0.165 0.000 0.997 150 E CA 3.246 59.767 56.400 0.202 0.000 0.810 150 E CB -0.312 29.485 29.700 0.161 0.000 0.738 150 E HN 0.413 8.866 8.360 0.156 0.000 0.467 151 D N -1.385 119.107 120.400 0.153 0.000 2.309 151 D HA -0.176 4.514 4.640 0.084 0.000 0.212 151 D C 1.880 178.233 176.300 0.089 0.000 0.968 151 D CA 2.153 56.218 54.000 0.107 0.000 0.882 151 D CB -0.726 40.138 40.800 0.106 0.000 0.918 151 D HN 0.239 8.667 8.370 0.158 0.037 0.503 152 Y N -0.833 119.497 120.300 0.049 0.000 2.256 152 Y HA -0.398 4.174 4.550 0.037 0.000 0.288 152 Y C 1.082 176.955 175.900 -0.044 0.000 1.155 152 Y CA 3.054 61.172 58.100 0.029 0.000 1.203 152 Y CB -0.809 37.702 38.460 0.085 0.000 0.980 152 Y HN -0.320 8.103 8.280 0.341 0.061 0.530 153 I N 0.339 120.475 120.570 -0.722 0.000 2.163 153 I HA -0.347 3.414 4.170 -0.681 0.000 0.240 153 I C -0.468 175.448 176.117 -0.334 0.000 1.081 153 I CA 4.906 65.772 61.300 -0.723 0.000 1.353 153 I CB -2.494 34.846 38.000 -1.100 0.000 1.054 153 I HN -0.833 6.925 8.210 -0.722 0.019 0.407 154 P HA -0.288 4.053 4.420 -0.131 0.000 0.215 154 P C 1.660 178.945 177.300 -0.024 0.000 1.157 154 P CA 3.488 66.516 63.100 -0.119 0.000 0.874 154 P CB -0.416 31.256 31.700 -0.047 0.000 0.790 155 I N -3.471 117.087 120.570 -0.019 0.000 2.163 155 I HA -0.447 3.903 4.170 0.016 -0.171 0.243 155 I C 2.198 178.300 176.117 -0.025 0.000 1.085 155 I CA 3.796 65.101 61.300 0.008 0.000 1.347 155 I CB -0.225 37.805 38.000 0.050 0.000 1.044 155 I HN -0.031 8.164 8.210 -0.025 0.000 0.408 156 A N 0.065 122.839 122.820 -0.077 0.000 1.883 156 A HA -0.315 3.918 4.320 -0.146 0.000 0.217 156 A C 2.106 179.531 177.584 -0.265 0.000 1.186 156 A CA 3.169 55.091 52.037 -0.192 0.000 0.624 156 A CB -0.951 17.875 19.000 -0.289 0.000 0.822 156 A HN -0.324 7.780 8.150 -0.077 0.000 0.444 157 F N -2.191 117.671 119.950 -0.146 0.000 2.146 157 F HA -0.425 4.044 4.527 -0.097 0.000 0.298 157 F C 2.512 178.264 175.800 -0.080 0.000 1.096 157 F CA 4.726 62.656 58.000 -0.117 0.000 1.275 157 F CB -0.163 38.745 39.000 -0.153 0.000 1.008 157 F HN -0.388 7.904 8.300 -0.014 0.000 0.480 158 Q N -1.302 118.549 119.800 0.085 0.000 2.124 158 Q HA -0.442 3.933 4.340 0.058 0.000 0.202 158 Q C 2.556 178.557 176.000 0.003 0.000 0.977 158 Q CA 3.740 59.569 55.803 0.044 0.000 0.850 158 Q CB -0.234 28.523 28.738 0.031 0.000 0.901 158 Q HN 0.091 8.411 8.270 0.082 0.000 0.429 159 T N 2.483 117.019 114.554 -0.029 0.000 2.746 159 T HA -0.416 3.912 4.350 -0.037 0.000 0.267 159 T C 1.554 176.200 174.700 -0.089 0.000 1.039 159 T CA 4.317 66.384 62.100 -0.055 0.000 1.142 159 T CB -0.117 68.713 68.868 -0.063 0.000 0.866 159 T HN -0.169 8.052 8.240 -0.031 0.000 0.444 160 A N 1.701 124.445 122.820 -0.126 0.000 1.877 160 A HA -0.179 4.011 4.320 -0.218 0.000 0.216 160 A C 1.627 179.173 177.584 -0.065 0.000 1.186 160 A CA 2.834 54.775 52.037 -0.161 0.000 0.620 160 A CB -0.532 18.335 19.000 -0.222 0.000 0.822 160 A HN -0.244 7.826 8.150 -0.133 0.000 0.443 161 R N -0.571 119.930 120.500 0.001 0.000 2.091 161 R HA -0.329 4.043 4.340 0.053 0.000 0.238 161 R C 1.931 178.237 176.300 0.010 0.000 1.136 161 R CA 2.243 58.364 56.100 0.034 0.000 0.959 161 R CB -0.409 29.924 30.300 0.055 0.000 0.856 161 R HN -0.232 8.044 8.270 0.010 0.000 0.437 162 A N -2.722 120.093 122.820 -0.008 0.000 1.930 162 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 162 A C 1.768 179.335 177.584 -0.028 0.000 1.175 162 A CA 2.329 54.358 52.037 -0.013 0.000 0.627 162 A CB -0.801 18.189 19.000 -0.017 0.000 0.815 162 A HN -0.548 7.595 8.150 -0.011 0.000 0.443 163 A N -3.492 119.296 122.820 -0.054 0.000 1.930 163 A HA -0.194 4.083 4.320 -0.071 0.000 0.217 163 A C -0.922 176.636 177.584 -0.043 0.000 1.175 163 A CA 1.685 53.677 52.037 -0.075 0.000 0.627 163 A CB 0.968 19.886 19.000 -0.138 0.000 0.815 163 A HN -0.645 7.360 8.150 -0.063 0.107 0.443 164 D N -4.962 115.430 120.400 -0.013 0.000 2.328 164 D HA 0.442 5.102 4.640 0.033 0.000 0.243 164 D C -2.380 173.959 176.300 0.064 0.000 1.324 164 D CA -2.136 51.889 54.000 0.042 0.000 0.966 164 D CB 1.093 41.955 40.800 0.103 0.000 1.324 164 D HN -0.594 7.764 8.370 -0.021 0.000 0.549 165 P HA -0.060 4.473 4.420 0.058 -0.077 0.228 165 P C -0.375 176.969 177.300 0.074 0.000 1.151 165 P CA 0.768 63.901 63.100 0.056 0.000 0.770 165 P CB 0.568 32.290 31.700 0.037 0.000 0.786 166 N N -3.208 115.540 118.700 0.081 0.000 2.409 166 N HA -0.107 4.677 4.740 0.074 0.000 0.179 166 N C -0.392 175.188 175.510 0.118 0.000 1.032 166 N CA 0.716 53.818 53.050 0.086 0.000 0.898 166 N CB 0.870 39.402 38.487 0.075 0.000 0.971 166 N HN -0.454 8.155 8.380 0.079 -0.182 0.441 167 A N -0.678 122.239 122.820 0.162 0.000 2.388 167 A HA -0.075 4.466 4.320 0.183 -0.112 0.257 167 A C -0.464 177.255 177.584 0.224 0.000 1.095 167 A CA -0.267 51.902 52.037 0.220 0.000 0.791 167 A CB 0.852 20.081 19.000 0.383 0.000 1.029 167 A HN -0.751 7.459 8.150 0.161 0.037 0.489 168 K N 2.379 122.926 120.400 0.245 0.000 2.349 168 K HA -0.019 4.588 4.320 0.216 -0.157 0.288 168 K C -0.747 176.099 176.600 0.410 0.000 1.058 168 K CA -1.466 54.994 56.287 0.288 0.000 0.953 168 K CB 0.015 32.726 32.500 0.351 0.000 0.997 168 K HN -0.127 8.258 8.250 0.224 0.000 0.477 169 L N 4.522 125.948 121.223 0.338 0.000 2.257 169 L HA 0.205 4.826 4.340 0.467 0.000 0.290 169 L C -0.943 176.214 176.870 0.478 0.000 1.044 169 L CA -0.716 54.386 54.840 0.437 0.000 0.810 169 L CB 0.140 42.459 42.059 0.434 0.000 1.193 169 L HN 0.169 8.887 8.230 0.241 -0.343 0.425 170 Y N 2.759 123.279 120.300 0.366 0.000 2.446 170 Y HA 0.477 5.401 4.550 0.269 -0.213 0.338 170 Y C -0.693 175.471 175.900 0.440 0.000 1.055 170 Y CA -1.239 57.053 58.100 0.320 0.000 1.101 170 Y CB 3.570 42.153 38.460 0.206 0.000 1.221 170 Y HN 0.615 9.301 8.280 0.676 0.000 0.460 171 I N 1.959 122.828 120.570 0.499 0.000 2.353 171 I HA 0.497 5.116 4.170 0.457 -0.175 0.293 171 I C -2.185 174.129 176.117 0.328 0.000 0.992 171 I CA -1.751 59.809 61.300 0.432 0.000 1.268 171 I CB 2.492 40.706 38.000 0.357 0.000 1.387 171 I HN 0.054 8.455 8.210 0.319 0.000 0.478 172 N N 8.630 127.487 118.700 0.262 0.000 2.269 172 N HA 0.626 5.672 4.740 0.193 -0.190 0.304 172 N C -2.257 173.347 175.510 0.157 0.000 1.072 172 N CA -1.051 52.108 53.050 0.182 0.000 0.802 172 N CB 3.827 42.387 38.487 0.121 0.000 1.348 172 N HN 0.135 8.665 8.380 0.251 0.000 0.484 173 D N 2.290 122.761 120.400 0.118 0.000 2.639 173 D HA 0.315 5.064 4.640 0.181 0.000 0.271 173 D C -2.564 173.801 176.300 0.109 0.000 1.254 173 D CA -1.029 53.045 54.000 0.123 0.000 0.810 173 D CB 4.464 45.324 40.800 0.101 0.000 1.351 173 D HN 0.164 8.590 8.370 0.094 0.000 0.427 174 Y N -2.031 118.305 120.300 0.061 0.000 2.602 174 Y HA 0.223 4.770 4.550 -0.006 0.000 0.330 174 Y C -1.045 174.887 175.900 0.053 0.000 1.114 174 Y CA -1.719 56.408 58.100 0.045 0.000 1.182 174 Y CB 2.413 40.939 38.460 0.110 0.000 1.305 174 Y HN 0.235 8.522 8.280 0.012 0.000 0.502 175 N N -3.719 115.062 118.700 0.136 0.000 2.758 175 N HA -0.325 4.496 4.740 -0.075 -0.127 0.248 175 N C -1.649 173.770 175.510 -0.152 0.000 1.076 175 N CA 1.178 54.215 53.050 -0.021 0.000 0.696 175 N CB -1.520 37.040 38.487 0.122 0.000 0.979 175 N HN 0.480 9.015 8.380 0.259 0.000 0.550 176 L N -6.201 114.936 121.223 -0.144 0.000 3.062 176 L HA 0.223 4.469 4.340 -0.156 0.000 0.255 176 L C 0.029 176.793 176.870 -0.178 0.000 1.274 176 L CA -0.796 53.953 54.840 -0.152 0.000 1.047 176 L CB -0.627 41.368 42.059 -0.106 0.000 1.402 176 L HN -0.141 8.004 8.230 -0.095 0.028 0.550 177 D N -1.362 118.869 120.400 -0.283 0.000 2.369 177 D HA 0.057 4.598 4.640 -0.164 0.000 0.211 177 D C -0.831 175.323 176.300 -0.244 0.000 1.077 177 D CA 0.322 54.180 54.000 -0.237 0.000 0.842 177 D CB 0.616 41.280 40.800 -0.226 0.000 0.947 177 D HN -0.010 8.045 8.370 -0.400 0.076 0.509 178 S N -1.176 114.342 115.700 -0.303 0.000 2.500 178 S HA 0.334 4.752 4.470 -0.087 0.000 0.301 178 S C -0.730 173.843 174.600 -0.045 0.000 1.092 178 S CA -1.100 57.019 58.200 -0.135 0.000 1.030 178 S CB 2.199 65.352 63.200 -0.078 0.000 1.031 178 S HN -0.691 7.376 8.310 -0.404 0.000 0.483 179 A N 2.134 124.946 122.820 -0.012 0.000 2.119 179 A HA -0.122 4.185 4.320 -0.022 0.000 0.217 179 A C 1.395 178.993 177.584 0.024 0.000 1.153 179 A CA 1.920 53.954 52.037 -0.005 0.000 0.692 179 A CB -0.291 18.704 19.000 -0.008 0.000 0.799 179 A HN 0.506 8.649 8.150 -0.011 0.000 0.458 180 S N -1.847 113.901 115.700 0.080 0.000 2.651 180 S HA 0.379 4.748 4.470 -0.168 0.000 0.246 180 S C -0.426 174.264 174.600 0.151 0.000 1.039 180 S CA -0.593 57.646 58.200 0.065 0.000 1.013 180 S CB -0.760 62.470 63.200 0.050 0.000 0.861 180 S HN 0.205 nan 8.310 nan 0.000 0.485 181 Y N 2.767 123.054 120.300 -0.023 0.000 2.578 181 Y HA 0.095 4.543 4.550 -0.169 0.000 0.339 181 Y C -1.312 174.569 175.900 -0.032 0.000 1.231 181 Y CA -2.156 55.931 58.100 -0.021 0.000 1.461 181 Y CB 0.311 38.758 38.460 -0.023 0.000 1.323 181 Y HN -0.292 nan 8.280 nan 0.000 0.590 182 P HA -0.238 nan 4.420 nan 0.000 0.215 182 P C 0.756 178.074 177.300 0.030 0.000 1.157 182 P CA 1.825 64.941 63.100 0.027 0.000 0.868 182 P CB 0.501 32.195 31.700 -0.010 0.000 0.788 183 K N -3.163 117.262 120.400 0.042 0.000 2.063 183 K HA -0.373 3.914 4.320 -0.056 0.000 0.208 183 K C 2.014 178.516 176.600 -0.164 0.000 1.048 183 K CA 3.955 60.214 56.287 -0.046 0.000 0.928 183 K CB -0.690 31.794 32.500 -0.027 0.000 0.713 183 K HN 0.226 8.520 8.250 0.097 0.014 0.442 184 T N 1.617 116.128 114.554 -0.072 0.000 2.708 184 T HA -0.386 3.871 4.350 -0.155 0.000 0.266 184 T C 2.791 177.413 174.700 -0.131 0.000 1.037 184 T CA 3.734 65.768 62.100 -0.110 0.000 1.146 184 T CB -0.639 68.197 68.868 -0.055 0.000 0.865 184 T HN -0.056 8.194 8.240 0.016 0.000 0.435 185 Q N 1.204 120.957 119.800 -0.080 0.000 2.124 185 Q HA -0.145 4.095 4.340 -0.168 0.000 0.202 185 Q C 2.138 178.064 176.000 -0.124 0.000 0.977 185 Q CA 1.556 57.310 55.803 -0.081 0.000 0.850 185 Q CB -0.175 28.539 28.738 -0.040 0.000 0.901 185 Q HN 0.338 nan 8.270 nan 0.000 0.429 186 A N 0.578 123.308 122.820 -0.150 0.000 1.898 186 A HA -0.221 4.043 4.320 -0.093 0.000 0.216 186 A C 1.764 179.145 177.584 -0.338 0.000 1.181 186 A CA 2.545 54.484 52.037 -0.163 0.000 0.620 186 A CB -0.271 18.700 19.000 -0.050 0.000 0.819 186 A HN -0.062 7.995 8.150 -0.133 0.013 0.442 187 I N -1.470 118.715 120.570 -0.641 0.000 2.286 187 I HA -0.490 3.162 4.170 -0.863 0.000 0.248 187 I C 1.348 177.314 176.117 -0.252 0.000 1.115 187 I CA 3.267 64.157 61.300 -0.683 0.000 1.392 187 I CB 0.359 37.927 38.000 -0.719 0.000 1.065 187 I HN -0.348 7.501 8.210 -0.602 0.000 0.418 188 V N -0.100 119.694 119.914 -0.200 0.000 2.295 188 V HA -0.518 3.541 4.120 -0.102 0.000 0.246 188 V C 1.887 177.908 176.094 -0.121 0.000 1.049 188 V CA 4.340 66.566 62.300 -0.124 0.000 1.024 188 V CB -0.956 30.806 31.823 -0.102 0.000 0.648 188 V HN -0.473 7.586 8.190 -0.219 0.000 0.447 189 N N -0.438 118.181 118.700 -0.136 0.000 2.084 189 N HA -0.316 4.353 4.740 -0.118 0.000 0.190 189 N C 2.164 177.550 175.510 -0.207 0.000 1.030 189 N CA 3.394 56.361 53.050 -0.139 0.000 0.849 189 N CB 0.128 38.543 38.487 -0.119 0.000 1.012 189 N HN -0.305 7.990 8.380 -0.141 0.000 0.423 190 R N -1.131 119.206 120.500 -0.271 0.000 2.090 190 R HA -0.221 3.726 4.340 -0.655 0.000 0.228 190 R C 2.448 178.416 176.300 -0.554 0.000 1.110 190 R CA 2.190 57.930 56.100 -0.600 0.000 0.973 190 R CB -0.551 29.317 30.300 -0.720 0.000 0.869 190 R HN 0.120 8.262 8.270 -0.213 0.000 0.440 191 V N 0.953 120.800 119.914 -0.112 0.000 2.343 191 V HA -0.550 3.799 4.120 0.382 0.000 0.247 191 V C 1.593 177.694 176.094 0.010 0.000 1.051 191 V CA 4.533 66.903 62.300 0.117 0.000 1.036 191 V CB -0.485 31.397 31.823 0.097 0.000 0.654 191 V HN 0.174 8.307 8.190 -0.096 0.000 0.451 192 K N -0.269 120.091 120.400 -0.066 0.000 2.032 192 K HA -0.344 3.952 4.320 -0.040 0.000 0.209 192 K C 2.687 179.247 176.600 -0.067 0.000 1.048 192 K CA 3.629 59.880 56.287 -0.060 0.000 0.927 192 K CB -0.318 32.138 32.500 -0.073 0.000 0.712 192 K HN -0.309 7.889 8.250 -0.086 0.000 0.441 193 K N -1.256 119.058 120.400 -0.144 0.000 2.057 193 K HA -0.233 4.029 4.320 -0.097 0.000 0.206 193 K C 2.585 179.148 176.600 -0.062 0.000 1.050 193 K CA 2.554 58.750 56.287 -0.151 0.000 0.935 193 K CB -0.415 31.928 32.500 -0.262 0.000 0.715 193 K HN -0.529 7.601 8.250 -0.200 0.000 0.439 194 W N -1.204 120.066 121.300 -0.049 0.000 2.355 194 W HA -0.299 4.329 4.660 -0.055 0.000 0.309 194 W C 2.548 179.017 176.519 -0.083 0.000 1.206 194 W CA 3.026 60.328 57.345 -0.072 0.000 1.284 194 W CB -0.677 28.715 29.460 -0.113 0.000 1.145 194 W HN 0.164 8.259 8.180 -0.142 0.000 0.502 195 R N -1.635 118.945 120.500 0.134 0.000 2.096 195 R HA -0.210 4.323 4.340 0.027 -0.177 0.235 195 R C 3.242 179.559 176.300 0.030 0.000 1.127 195 R CA 3.196 59.321 56.100 0.041 0.000 0.968 195 R CB -0.147 30.154 30.300 0.001 0.000 0.861 195 R HN -0.033 8.319 8.270 0.136 0.000 0.440 196 A N -0.395 122.438 122.820 0.022 0.000 2.019 196 A HA -0.113 4.211 4.320 0.005 0.000 0.219 196 A C 0.967 178.565 177.584 0.023 0.000 1.164 196 A CA 2.432 54.475 52.037 0.010 0.000 0.644 196 A CB -0.717 18.279 19.000 -0.007 0.000 0.805 196 A HN -0.172 7.989 8.150 0.018 0.000 0.449 197 A N -3.963 118.885 122.820 0.047 0.000 2.238 197 A HA 0.030 4.376 4.320 0.043 0.000 0.208 197 A C 0.027 177.644 177.584 0.054 0.000 1.177 197 A CA -0.009 52.064 52.037 0.059 0.000 0.804 197 A CB 0.255 19.312 19.000 0.095 0.000 0.823 197 A HN -0.318 7.737 8.150 0.062 0.132 0.482 198 G N -2.145 106.681 108.800 0.044 0.000 2.144 198 G HA2 -0.310 3.662 3.960 0.021 0.000 0.218 198 G HA3 -0.310 3.667 3.960 0.029 0.000 0.218 198 G C -0.263 174.651 174.900 0.024 0.000 0.988 198 G CA -0.274 44.843 45.100 0.029 0.000 0.659 198 G HN -0.514 7.609 8.290 0.043 0.193 0.522 199 V N 1.363 121.293 119.914 0.027 0.000 2.572 199 V HA 0.066 4.183 4.120 -0.005 0.000 0.291 199 V C -1.382 174.672 176.094 -0.068 0.000 1.039 199 V CA -2.183 60.103 62.300 -0.023 0.000 1.055 199 V CB 0.473 32.251 31.823 -0.074 0.000 0.969 199 V HN -0.431 7.792 8.190 0.055 0.000 0.482 200 P HA 0.112 4.513 4.420 -0.032 0.000 0.247 200 P C -2.129 175.113 177.300 -0.097 0.000 1.756 200 P CA -0.572 62.514 63.100 -0.023 0.000 1.117 200 P CB -1.717 30.015 31.700 0.055 0.000 1.869 201 I N 4.446 124.858 120.570 -0.264 0.000 2.330 201 I HA -0.039 3.858 4.170 -0.455 0.000 0.286 201 I C -1.225 174.777 176.117 -0.191 0.000 1.025 201 I CA -0.356 60.695 61.300 -0.415 0.000 1.197 201 I CB 0.734 38.368 38.000 -0.611 0.000 1.358 201 I HN -0.517 7.565 8.210 -0.213 0.000 0.467 202 D N 4.946 125.274 120.400 -0.121 0.000 2.305 202 D HA 0.024 4.600 4.640 -0.107 0.000 0.206 202 D C -0.432 175.672 176.300 -0.326 0.000 0.974 202 D CA 1.331 55.249 54.000 -0.138 0.000 0.871 202 D CB 1.783 42.561 40.800 -0.035 0.000 0.947 202 D HN 0.093 8.434 8.370 -0.048 0.000 0.516 203 G N -3.396 105.072 108.800 -0.552 0.000 2.706 203 G HA2 0.604 4.408 3.960 -0.700 0.000 0.297 203 G HA3 0.604 3.223 3.960 -2.235 0.000 0.297 203 G C -3.259 171.304 174.900 -0.561 0.000 1.403 203 G CA -0.184 44.296 45.100 -1.034 0.000 0.954 203 G HN -0.589 7.456 8.290 -0.408 0.000 0.500 204 I N 0.971 121.387 120.570 -0.257 0.000 2.339 204 I HA 0.576 4.970 4.170 0.079 -0.176 0.290 204 I C -1.002 175.256 176.117 0.235 0.000 0.994 204 I CA -1.632 59.682 61.300 0.024 0.000 1.191 204 I CB 2.370 40.372 38.000 0.003 0.000 1.343 204 I HN -0.329 7.731 8.210 -0.251 0.000 0.458 205 G N 5.419 114.445 108.800 0.377 0.000 2.343 205 G HA2 0.435 4.733 3.960 0.298 0.000 0.319 205 G HA3 0.435 4.687 3.960 0.279 -0.125 0.319 205 G C -2.518 172.449 174.900 0.112 0.000 1.126 205 G CA -1.561 43.711 45.100 0.287 0.000 0.889 205 G HN 0.677 9.184 8.290 0.362 0.000 0.457 206 S N 4.232 119.957 115.700 0.041 0.000 2.498 206 S HA 0.628 5.248 4.470 -0.007 -0.154 0.324 206 S C 1.110 175.662 174.600 -0.081 0.000 1.071 206 S CA -2.831 55.358 58.200 -0.017 0.000 1.113 206 S CB 1.142 64.322 63.200 -0.034 0.000 0.976 206 S HN 0.289 8.628 8.310 0.049 0.000 0.462 207 Q N 8.486 128.223 119.800 -0.105 0.000 2.096 207 Q HA -0.222 3.923 4.340 -0.325 0.000 0.204 207 Q C 0.535 176.294 176.000 -0.400 0.000 0.982 207 Q CA 2.837 58.469 55.803 -0.285 0.000 0.850 207 Q CB 0.650 29.251 28.738 -0.229 0.000 0.901 207 Q HN 0.527 8.771 8.270 -0.043 0.000 0.422 208 T N -4.040 110.374 114.554 -0.233 0.000 4.047 208 T HA -0.407 4.078 4.350 -0.113 -0.202 0.362 208 T C -1.708 172.861 174.700 -0.219 0.000 0.757 208 T CA 0.019 62.008 62.100 -0.184 0.000 1.975 208 T CB -1.326 67.450 68.868 -0.153 0.000 1.820 208 T HN 0.060 8.220 8.240 -0.133 0.000 0.851 209 H N 0.322 119.415 119.070 0.038 0.000 2.969 209 H HA 0.287 5.200 4.556 0.138 -0.274 0.269 209 H C -0.110 175.275 175.328 0.095 0.000 1.223 209 H CA -0.279 55.838 56.048 0.115 0.000 1.400 209 H CB -0.482 29.385 29.762 0.175 0.000 1.500 209 H HN -0.056 8.199 8.280 -0.042 0.000 0.486 210 L N 5.519 126.821 121.223 0.132 0.000 2.344 210 L HA 0.309 4.824 4.340 0.064 -0.137 0.272 210 L C -0.360 176.548 176.870 0.063 0.000 1.035 210 L CA -0.804 54.070 54.840 0.056 0.000 0.807 210 L CB 2.375 44.414 42.059 -0.033 0.000 1.237 210 L HN 0.297 8.597 8.230 0.116 0.000 0.442 211 S N 1.321 117.053 115.700 0.052 0.000 2.713 211 S HA 0.223 4.718 4.470 0.042 0.000 0.283 211 S C -0.983 173.629 174.600 0.021 0.000 1.161 211 S CA -1.031 57.195 58.200 0.043 0.000 0.999 211 S CB 0.982 64.217 63.200 0.058 0.000 1.039 211 S HN 0.100 8.770 8.310 0.053 -0.328 0.548 212 A N 0.960 123.794 122.820 0.023 0.000 2.520 212 A HA -0.228 4.258 4.320 0.015 -0.157 0.245 212 A C 1.390 178.986 177.584 0.020 0.000 1.072 212 A CA 0.953 53.002 52.037 0.020 0.000 0.761 212 A CB -1.032 17.983 19.000 0.025 0.000 1.004 212 A HN 0.281 8.446 8.150 0.026 0.000 0.499 213 G N 3.992 112.801 108.800 0.015 0.000 2.176 213 G HA2 -0.424 3.562 3.960 0.015 0.000 0.253 213 G HA3 -0.424 3.548 3.960 0.019 0.000 0.253 213 G C 0.663 175.569 174.900 0.010 0.000 0.979 213 G CA 0.589 45.698 45.100 0.015 0.000 0.641 213 G HN 0.492 9.249 8.290 0.012 -0.460 0.530 214 Q N 1.672 121.473 119.800 0.002 0.000 2.398 214 Q HA -0.034 4.310 4.340 0.006 0.000 0.204 214 Q C 1.787 177.771 176.000 -0.026 0.000 0.932 214 Q CA 1.030 56.831 55.803 -0.004 0.000 0.916 214 Q CB 0.442 29.180 28.738 0.001 0.000 1.024 214 Q HN -0.452 7.761 8.270 -0.000 0.057 0.504 215 G N -0.946 107.834 108.800 -0.034 0.000 2.450 215 G HA2 -0.321 3.603 3.960 -0.060 0.000 0.220 215 G HA3 -0.321 3.612 3.960 -0.046 0.000 0.220 215 G C 0.403 175.286 174.900 -0.027 0.000 1.130 215 G CA 1.880 46.953 45.100 -0.044 0.000 0.760 215 G HN 0.016 8.551 8.290 -0.031 -0.263 0.557 216 A N 0.509 123.321 122.820 -0.013 0.000 1.978 216 A HA -0.326 3.991 4.320 -0.005 0.000 0.220 216 A C 1.798 179.374 177.584 -0.013 0.000 1.170 216 A CA 2.543 54.576 52.037 -0.007 0.000 0.636 216 A CB -0.497 18.504 19.000 0.002 0.000 0.810 216 A HN 0.010 8.130 8.150 -0.009 0.024 0.448 217 S N -2.260 113.428 115.700 -0.020 0.000 2.423 217 S HA -0.165 4.295 4.470 -0.015 0.000 0.231 217 S C 1.824 176.399 174.600 -0.042 0.000 1.014 217 S CA 2.433 60.617 58.200 -0.026 0.000 0.965 217 S CB -0.567 62.614 63.200 -0.031 0.000 0.785 217 S HN -0.508 7.761 8.310 -0.020 0.029 0.495 218 V N 2.871 122.756 119.914 -0.048 0.000 2.626 218 V HA -0.252 3.829 4.120 -0.065 0.000 0.252 218 V C 1.802 177.873 176.094 -0.039 0.000 1.067 218 V CA 2.483 64.751 62.300 -0.054 0.000 1.081 218 V CB -1.211 30.576 31.823 -0.059 0.000 0.686 218 V HN -0.380 7.642 8.190 -0.046 0.140 0.468 219 L N -3.816 117.391 121.223 -0.027 0.000 2.127 219 L HA -0.287 4.041 4.340 -0.020 0.000 0.211 219 L C 1.652 178.510 176.870 -0.020 0.000 1.089 219 L CA 2.348 57.176 54.840 -0.020 0.000 0.757 219 L CB -0.510 41.542 42.059 -0.012 0.000 0.899 219 L HN -0.814 7.372 8.230 -0.025 0.029 0.434 220 Q N -3.504 116.283 119.800 -0.022 0.000 2.324 220 Q HA 0.005 4.333 4.340 -0.019 0.000 0.207 220 Q C 1.599 177.581 176.000 -0.029 0.000 0.928 220 Q CA 1.945 57.735 55.803 -0.021 0.000 0.890 220 Q CB 0.535 29.265 28.738 -0.014 0.000 1.001 220 Q HN -0.711 7.524 8.270 -0.023 0.021 0.517 221 A N 0.831 123.627 122.820 -0.040 0.000 1.929 221 A HA -0.157 4.134 4.320 -0.047 0.000 0.216 221 A C 1.752 179.306 177.584 -0.050 0.000 1.176 221 A CA 2.873 54.879 52.037 -0.052 0.000 0.628 221 A CB -0.476 18.478 19.000 -0.078 0.000 0.816 221 A HN -0.257 7.868 8.150 -0.042 0.000 0.444 222 L N -0.957 120.239 121.223 -0.045 0.000 2.056 222 L HA -0.090 4.224 4.340 -0.043 0.000 0.207 222 L C -1.385 175.465 176.870 -0.034 0.000 1.078 222 L CA 4.739 59.555 54.840 -0.040 0.000 0.749 222 L CB -2.212 39.824 42.059 -0.038 0.000 0.901 222 L HN -0.238 7.966 8.230 -0.044 0.000 0.433 223 P HA -0.220 4.184 4.420 -0.026 0.000 0.218 223 P C 1.438 178.720 177.300 -0.031 0.000 1.149 223 P CA 2.797 65.880 63.100 -0.027 0.000 0.817 223 P CB -0.365 31.321 31.700 -0.023 0.000 0.785 224 L N -1.707 119.495 121.223 -0.034 0.000 2.056 224 L HA -0.271 4.048 4.340 -0.035 0.000 0.207 224 L C 1.800 178.642 176.870 -0.046 0.000 1.078 224 L CA 3.025 57.842 54.840 -0.038 0.000 0.749 224 L CB -0.295 41.741 42.059 -0.038 0.000 0.901 224 L HN -0.889 7.311 8.230 -0.034 0.010 0.433 225 L N -2.007 119.187 121.223 -0.048 0.000 2.042 225 L HA -0.453 3.851 4.340 -0.061 0.000 0.210 225 L C 2.321 179.165 176.870 -0.044 0.000 1.076 225 L CA 3.183 57.993 54.840 -0.051 0.000 0.749 225 L CB -0.877 41.155 42.059 -0.046 0.000 0.893 225 L HN -0.056 8.146 8.230 -0.048 0.000 0.432 226 A N -3.039 119.758 122.820 -0.037 0.000 2.070 226 A HA -0.250 4.047 4.320 -0.037 0.000 0.220 226 A C 1.657 179.219 177.584 -0.036 0.000 1.159 226 A CA 2.650 54.666 52.037 -0.035 0.000 0.656 226 A CB -0.655 18.328 19.000 -0.028 0.000 0.800 226 A HN -0.057 8.061 8.150 -0.035 0.011 0.453 227 S N -1.698 113.980 115.700 -0.037 0.000 2.555 227 S HA -0.193 4.258 4.470 -0.032 0.000 0.230 227 S C 0.947 175.523 174.600 -0.041 0.000 0.978 227 S CA 2.174 60.352 58.200 -0.036 0.000 0.934 227 S CB -0.442 62.737 63.200 -0.035 0.000 0.766 227 S HN -0.381 7.745 8.310 -0.038 0.161 0.533 228 A N -0.554 122.238 122.820 -0.046 0.000 2.168 228 A HA -0.128 4.162 4.320 -0.050 0.000 0.215 228 A C -0.235 177.323 177.584 -0.044 0.000 1.152 228 A CA 0.838 52.846 52.037 -0.049 0.000 0.716 228 A CB 0.183 19.151 19.000 -0.052 0.000 0.794 228 A HN -0.786 7.278 8.150 -0.047 0.057 0.465 229 G N -3.650 105.125 108.800 -0.043 0.000 2.141 229 G HA2 -0.370 3.569 3.960 -0.035 0.000 0.242 229 G HA3 -0.370 3.569 3.960 -0.036 0.000 0.242 229 G C -0.455 174.416 174.900 -0.047 0.000 0.982 229 G CA 0.052 45.128 45.100 -0.039 0.000 0.662 229 G HN -0.422 7.795 8.290 -0.042 0.048 0.527 230 T N -1.216 113.300 114.554 -0.063 0.000 2.926 230 T HA 0.172 4.473 4.350 -0.082 0.000 0.307 230 T C -0.620 174.037 174.700 -0.073 0.000 1.059 230 T CA -2.741 59.308 62.100 -0.086 0.000 1.122 230 T CB 0.818 69.605 68.868 -0.135 0.000 0.972 230 T HN -0.395 7.759 8.240 -0.063 0.048 0.545 231 P HA -0.114 4.288 4.420 -0.029 0.000 0.218 231 P C -1.039 176.238 177.300 -0.038 0.000 1.148 231 P CA 1.369 64.444 63.100 -0.041 0.000 0.822 231 P CB 0.367 32.052 31.700 -0.025 0.000 0.784 232 E N -5.381 114.771 120.200 -0.080 0.000 2.343 232 E HA 0.640 5.171 4.350 0.000 -0.180 0.270 232 E C -1.138 175.415 176.600 -0.078 0.000 0.895 232 E CA -1.734 54.640 56.400 -0.043 0.000 0.767 232 E CB 4.577 34.291 29.700 0.024 0.000 1.248 232 E HN -0.482 7.771 8.360 -0.130 0.030 0.440 233 V N -3.986 115.943 119.914 0.024 0.000 3.126 233 V HA 1.085 5.416 4.120 0.080 -0.163 0.314 233 V C -2.292 173.919 176.094 0.194 0.000 1.138 233 V CA -3.625 58.725 62.300 0.083 0.000 1.034 233 V CB 4.295 36.134 31.823 0.027 0.000 1.075 233 V HN 0.614 8.716 8.190 0.036 0.109 0.442 234 A N -1.483 121.479 122.820 0.236 0.000 2.604 234 A HA 0.476 4.832 4.320 0.060 0.000 0.295 234 A C -2.223 175.395 177.584 0.057 0.000 1.067 234 A CA -0.954 51.167 52.037 0.140 0.000 0.683 234 A CB 3.813 22.927 19.000 0.191 0.000 1.281 234 A HN -0.083 8.214 8.150 0.245 0.000 0.407 235 I N 0.935 121.493 120.570 -0.020 0.000 2.301 235 I HA 0.409 4.714 4.170 -0.054 -0.167 0.292 235 I C 0.984 177.073 176.117 -0.046 0.000 1.046 235 I CA -1.969 59.297 61.300 -0.056 0.000 1.282 235 I CB -1.201 36.742 38.000 -0.095 0.000 1.409 235 I HN -0.052 8.128 8.210 -0.049 0.000 0.484 236 T N 2.510 117.018 114.554 -0.077 0.000 3.015 236 T HA 0.143 4.477 4.350 -0.027 0.000 0.250 236 T C 0.547 175.185 174.700 -0.103 0.000 1.057 236 T CA 0.417 62.466 62.100 -0.085 0.000 1.066 236 T CB 1.088 69.878 68.868 -0.131 0.000 0.959 236 T HN 0.489 8.668 8.240 -0.102 0.000 0.488 237 E N -0.306 119.759 120.200 -0.226 0.000 3.918 237 E HA 0.167 4.594 4.350 0.128 0.000 0.183 237 E C -1.142 175.313 176.600 -0.242 0.000 1.021 237 E CA -1.145 55.073 56.400 -0.304 0.000 1.431 237 E CB 1.057 30.151 29.700 -1.011 0.000 1.140 237 E HN -0.570 7.640 8.360 -0.251 0.000 0.435 238 L N 3.103 124.315 121.223 -0.019 0.000 2.499 238 L HA -0.095 4.402 4.340 -0.120 -0.229 0.273 238 L C -1.742 175.255 176.870 0.212 0.000 1.195 238 L CA 0.900 55.747 54.840 0.012 0.000 0.882 238 L CB 1.068 43.175 42.059 0.080 0.000 1.133 238 L HN -0.343 7.910 8.230 0.039 0.000 0.483 239 D N 4.150 124.653 120.400 0.172 0.000 2.623 239 D HA 0.497 5.328 4.640 0.319 0.000 0.241 239 D C -2.057 174.295 176.300 0.087 0.000 1.241 239 D CA -1.085 53.079 54.000 0.274 0.000 0.788 239 D CB 4.198 45.281 40.800 0.472 0.000 1.413 239 D HN -0.156 8.255 8.370 0.068 0.000 0.429 240 V N -1.638 118.305 119.914 0.048 0.000 2.567 240 V HA 0.276 4.570 4.120 -0.022 -0.187 0.298 240 V C -0.784 175.340 176.094 0.051 0.000 1.047 240 V CA -1.524 60.751 62.300 -0.041 0.000 0.880 240 V CB 3.202 34.868 31.823 -0.261 0.000 1.009 240 V HN 0.017 8.304 8.190 0.160 0.000 0.429 241 A N 6.933 129.775 122.820 0.036 0.000 2.566 241 A HA -0.288 4.154 4.320 0.012 -0.115 0.245 241 A C 0.259 177.866 177.584 0.039 0.000 1.056 241 A CA 1.311 53.361 52.037 0.022 0.000 0.757 241 A CB -0.042 18.962 19.000 0.006 0.000 0.979 241 A HN 0.194 8.366 8.150 0.036 0.000 0.508 242 G N 1.918 110.745 108.800 0.045 0.000 2.267 242 G HA2 -0.448 3.537 3.960 0.041 0.000 0.257 242 G HA3 -0.448 3.540 3.960 0.047 0.000 0.257 242 G C -0.232 174.726 174.900 0.097 0.000 0.998 242 G CA 0.171 45.304 45.100 0.055 0.000 0.620 242 G HN 0.444 8.754 8.290 0.034 0.000 0.529 243 A N -1.953 120.962 122.820 0.159 0.000 2.791 243 A HA -0.433 4.164 4.320 0.462 0.000 0.292 243 A C -1.615 176.127 177.584 0.265 0.000 1.487 243 A CA 0.514 52.734 52.037 0.305 0.000 0.760 243 A CB -1.759 17.398 19.000 0.263 0.000 1.031 243 A HN -0.100 7.927 8.150 0.138 0.205 0.503 244 S N -2.437 113.374 115.700 0.186 0.000 2.549 244 S HA -0.140 4.400 4.470 0.116 0.000 0.286 244 S C 1.642 176.369 174.600 0.212 0.000 1.314 244 S CA 0.186 58.473 58.200 0.146 0.000 1.062 244 S CB 1.308 64.561 63.200 0.088 0.000 0.865 244 S HN -0.130 8.266 8.310 0.144 0.000 0.498 245 S N 8.317 124.106 115.700 0.149 0.000 2.400 245 S HA -0.310 4.267 4.470 0.178 0.000 0.232 245 S C 2.154 176.834 174.600 0.133 0.000 1.025 245 S CA 3.588 61.871 58.200 0.139 0.000 0.993 245 S CB -0.093 63.146 63.200 0.066 0.000 0.808 245 S HN 0.668 9.043 8.310 0.109 0.000 0.478 246 T N 2.799 117.409 114.554 0.093 0.000 2.746 246 T HA -0.341 4.046 4.350 0.061 0.000 0.267 246 T C 1.546 176.286 174.700 0.067 0.000 1.039 246 T CA 4.780 66.920 62.100 0.067 0.000 1.142 246 T CB -0.136 68.759 68.868 0.045 0.000 0.866 246 T HN -0.478 7.788 8.240 0.085 0.025 0.444 247 D N 2.004 122.441 120.400 0.061 0.000 2.097 247 D HA -0.234 4.402 4.640 -0.007 0.000 0.195 247 D C 2.261 178.562 176.300 0.003 0.000 0.989 247 D CA 3.644 57.644 54.000 0.001 0.000 0.827 247 D CB -0.344 40.425 40.800 -0.052 0.000 0.966 247 D HN -0.513 7.901 8.370 0.073 0.000 0.456 248 Y N -0.049 120.285 120.300 0.056 0.000 2.145 248 Y HA -0.358 4.245 4.550 0.088 0.000 0.286 248 Y C 2.417 178.356 175.900 0.066 0.000 1.145 248 Y CA 4.003 62.150 58.100 0.078 0.000 1.148 248 Y CB 0.033 38.549 38.460 0.094 0.000 0.981 248 Y HN -0.522 7.907 8.280 0.247 0.000 0.507 249 V N -1.947 118.088 119.914 0.202 0.000 2.407 249 V HA -0.520 3.678 4.120 0.131 0.000 0.248 249 V C 1.859 178.001 176.094 0.080 0.000 1.055 249 V CA 3.896 66.268 62.300 0.121 0.000 1.049 249 V CB -1.052 30.818 31.823 0.078 0.000 0.662 249 V HN 0.039 8.350 8.190 0.203 0.000 0.455 250 N N 0.281 119.016 118.700 0.059 0.000 2.120 250 N HA -0.264 4.491 4.740 0.025 0.000 0.188 250 N C 2.660 178.180 175.510 0.017 0.000 1.024 250 N CA 3.258 56.324 53.050 0.027 0.000 0.852 250 N CB -0.482 38.011 38.487 0.011 0.000 1.003 250 N HN -0.598 7.821 8.380 0.065 0.000 0.424 251 V N 0.351 120.276 119.914 0.018 0.000 2.358 251 V HA -0.363 3.744 4.120 -0.021 0.000 0.246 251 V C 1.782 177.885 176.094 0.016 0.000 1.047 251 V CA 3.624 65.923 62.300 -0.002 0.000 1.035 251 V CB -0.750 31.056 31.823 -0.028 0.000 0.658 251 V HN -0.432 7.773 8.190 0.024 0.000 0.452 252 V N 0.581 120.538 119.914 0.071 0.000 2.287 252 V HA -0.536 3.609 4.120 0.042 0.000 0.248 252 V C 2.036 178.149 176.094 0.032 0.000 1.053 252 V CA 4.371 66.715 62.300 0.072 0.000 1.027 252 V CB -0.964 30.951 31.823 0.153 0.000 0.646 252 V HN -0.098 8.157 8.190 0.109 0.000 0.447 253 N N -0.842 117.877 118.700 0.031 0.000 2.166 253 N HA -0.341 4.408 4.740 0.015 0.000 0.186 253 N C 1.975 177.485 175.510 -0.000 0.000 1.019 253 N CA 2.794 55.852 53.050 0.015 0.000 0.856 253 N CB -0.699 37.797 38.487 0.016 0.000 0.993 253 N HN -0.095 8.310 8.380 0.042 0.000 0.426 254 A N 0.781 123.597 122.820 -0.006 0.000 1.883 254 A HA -0.339 3.971 4.320 -0.016 0.000 0.217 254 A C 1.386 178.955 177.584 -0.026 0.000 1.186 254 A CA 3.373 55.399 52.037 -0.018 0.000 0.624 254 A CB -0.705 18.279 19.000 -0.025 0.000 0.822 254 A HN -0.125 8.024 8.150 -0.002 0.000 0.444 255 c N -1.379 117.200 118.600 -0.034 0.000 2.429 255 c HA -0.396 4.145 4.570 -0.050 0.000 0.277 255 c C 2.172 176.239 174.090 -0.039 0.000 1.262 255 c CA 3.469 59.768 56.329 -0.050 0.000 1.733 255 c CB -1.667 40.792 42.510 -0.085 0.000 2.010 255 c HN -0.542 7.668 8.230 -0.032 0.000 0.483 256 L N -1.737 119.472 121.223 -0.024 0.000 2.079 256 L HA -0.429 3.899 4.340 -0.020 0.000 0.210 256 L C 2.107 178.968 176.870 -0.015 0.000 1.081 256 L CA 2.699 57.529 54.840 -0.015 0.000 0.752 256 L CB -0.395 41.662 42.059 -0.002 0.000 0.896 256 L HN -0.019 8.200 8.230 -0.018 0.000 0.433 257 N N -4.690 114.002 118.700 -0.014 0.000 2.396 257 N HA -0.150 4.584 4.740 -0.010 0.000 0.180 257 N C -0.168 175.333 175.510 -0.015 0.000 1.028 257 N CA 1.378 54.420 53.050 -0.013 0.000 0.893 257 N CB 0.371 38.851 38.487 -0.011 0.000 0.967 257 N HN -0.403 7.864 8.380 -0.014 0.104 0.440 258 V N 1.132 121.034 119.914 -0.020 0.000 2.311 258 V HA 0.089 4.198 4.120 -0.018 0.000 0.275 258 V C 0.259 176.341 176.094 -0.021 0.000 1.022 258 V CA -1.606 60.682 62.300 -0.021 0.000 0.830 258 V CB -0.250 31.559 31.823 -0.024 0.000 1.012 258 V HN -0.798 7.225 8.190 -0.023 0.153 0.452 259 S N 8.206 123.897 115.700 -0.016 0.000 2.399 259 S HA -0.254 4.207 4.470 -0.015 0.000 0.231 259 S C 0.817 175.408 174.600 -0.013 0.000 1.022 259 S CA 3.004 61.196 58.200 -0.014 0.000 0.983 259 S CB -0.078 63.116 63.200 -0.010 0.000 0.803 259 S HN 0.653 8.954 8.310 -0.015 0.000 0.480 260 S N -1.829 113.863 115.700 -0.013 0.000 2.607 260 S HA -0.099 4.370 4.470 -0.003 0.000 0.224 260 S C -0.069 174.529 174.600 -0.002 0.000 0.969 260 S CA 0.531 58.726 58.200 -0.008 0.000 0.927 260 S CB -0.164 63.028 63.200 -0.014 0.000 0.772 260 S HN -0.204 8.080 8.310 -0.015 0.017 0.533 261 c N 4.868 123.459 118.600 -0.016 0.000 2.540 261 c HA 0.258 5.069 4.570 -0.001 -0.241 0.377 261 c C 1.666 175.721 174.090 -0.058 0.000 1.274 261 c CA -0.942 55.371 56.329 -0.026 0.000 1.718 261 c CB -1.101 41.382 42.510 -0.045 0.000 2.391 261 c HN -0.249 7.799 8.230 -0.021 0.170 0.565 262 V N 4.185 124.069 119.914 -0.050 0.000 2.951 262 V HA 0.210 4.280 4.120 -0.084 0.000 0.255 262 V C -0.811 175.041 176.094 -0.405 0.000 1.088 262 V CA 0.284 62.517 62.300 -0.112 0.000 1.109 262 V CB -0.278 31.566 31.823 0.035 0.000 0.724 262 V HN -0.017 8.177 8.190 0.006 0.000 0.471 263 G N -3.048 105.457 108.800 -0.491 0.000 2.315 263 G HA2 0.267 3.881 3.960 -0.607 0.000 0.294 263 G HA3 0.267 3.341 3.960 -1.628 -0.091 0.294 263 G C -3.373 171.215 174.900 -0.520 0.000 1.300 263 G CA 0.371 44.968 45.100 -0.840 0.000 0.843 263 G HN -0.986 7.090 8.290 -0.298 0.035 0.527 264 I N -0.941 119.323 120.570 -0.509 0.000 2.582 264 I HA 0.590 4.805 4.170 -0.229 -0.183 0.292 264 I C -1.385 174.664 176.117 -0.114 0.000 1.066 264 I CA -1.240 59.827 61.300 -0.388 0.000 1.053 264 I CB 4.436 41.930 38.000 -0.843 0.000 1.241 264 I HN -0.307 7.531 8.210 -0.621 0.000 0.421 265 T N 8.426 123.009 114.554 0.048 0.000 2.792 265 T HA 0.436 5.008 4.350 0.201 -0.101 0.280 265 T C -0.982 173.826 174.700 0.181 0.000 0.990 265 T CA -1.045 61.148 62.100 0.156 0.000 0.960 265 T CB 1.353 70.315 68.868 0.157 0.000 0.939 265 T HN 0.366 8.619 8.240 0.020 0.000 0.439 266 V N 0.118 120.186 119.914 0.257 0.000 2.567 266 V HA 0.424 4.903 4.120 0.353 -0.147 0.289 266 V C 0.093 176.365 176.094 0.295 0.000 1.049 266 V CA -3.280 59.221 62.300 0.335 0.000 0.969 266 V CB 1.377 33.458 31.823 0.430 0.000 0.995 266 V HN 0.643 8.984 8.190 0.251 0.000 0.471 267 W N 7.215 128.601 121.300 0.143 0.000 1.496 267 W HA -0.022 4.670 4.660 0.053 0.000 0.422 267 W C -0.956 175.657 176.519 0.157 0.000 0.638 267 W CA -0.246 57.182 57.345 0.138 0.000 2.105 267 W CB -0.455 29.158 29.460 0.255 0.000 1.639 267 W HN 0.254 8.753 8.180 0.532 0.000 0.304 268 G N 0.108 108.838 108.800 -0.117 0.000 2.381 268 G HA2 -0.257 3.706 3.960 -0.258 0.000 0.672 268 G HA3 -0.257 3.660 3.960 -0.071 0.000 0.672 268 G C -2.364 172.508 174.900 -0.046 0.000 1.324 268 G CA -0.859 44.159 45.100 -0.138 0.000 0.975 268 G HN -0.526 7.608 8.290 -0.131 0.078 0.593 269 V N 0.535 120.425 119.914 -0.040 0.000 2.502 269 V HA 0.043 4.190 4.120 0.045 0.000 0.234 269 V C -1.196 174.994 176.094 0.160 0.000 1.072 269 V CA 2.113 64.429 62.300 0.028 0.000 1.094 269 V CB 1.281 33.070 31.823 -0.057 0.000 0.761 269 V HN 0.312 8.465 8.190 -0.060 0.000 0.489 270 A N -5.255 117.617 122.820 0.086 0.000 2.324 270 A HA 0.289 4.876 4.320 0.103 -0.206 0.330 270 A C 0.173 177.746 177.584 -0.019 0.000 1.165 270 A CA -2.120 49.923 52.037 0.010 0.000 0.813 270 A CB 2.325 21.149 19.000 -0.293 0.000 1.197 270 A HN -0.474 7.712 8.150 0.059 0.000 0.484 271 D N 4.824 125.217 120.400 -0.011 0.000 2.157 271 D HA -0.293 4.362 4.640 0.026 0.000 0.191 271 D C 0.136 176.412 176.300 -0.040 0.000 1.004 271 D CA 5.198 59.192 54.000 -0.010 0.000 0.854 271 D CB -2.233 38.555 40.800 -0.020 0.000 0.936 271 D HN 0.130 8.500 8.370 -0.001 0.000 0.446 272 P HA -0.069 4.317 4.420 -0.056 0.000 0.226 272 P C -0.435 176.841 177.300 -0.041 0.000 1.153 272 P CA 1.204 64.264 63.100 -0.067 0.000 0.777 272 P CB -0.272 31.372 31.700 -0.094 0.000 0.794 273 D N -3.853 116.527 120.400 -0.033 0.000 2.339 273 D HA 0.083 4.723 4.640 0.000 0.000 0.217 273 D C -0.265 176.056 176.300 0.035 0.000 1.050 273 D CA 0.094 54.092 54.000 -0.003 0.000 0.856 273 D CB 0.235 41.029 40.800 -0.009 0.000 0.922 273 D HN -0.292 7.992 8.370 -0.048 0.057 0.518 274 S N 0.609 116.335 115.700 0.042 0.000 2.572 274 S HA -0.080 4.501 4.470 0.185 0.000 0.279 274 S C 1.797 176.464 174.600 0.111 0.000 1.341 274 S CA 0.294 58.556 58.200 0.103 0.000 1.043 274 S CB 0.982 64.198 63.200 0.028 0.000 0.887 274 S HN -0.523 7.630 8.310 0.015 0.166 0.516 275 W N 3.426 124.795 121.300 0.115 0.000 2.468 275 W HA -0.119 4.588 4.660 0.078 0.000 0.262 275 W C -0.895 175.663 176.519 0.064 0.000 1.241 275 W CA 0.046 57.452 57.345 0.101 0.000 1.232 275 W CB -0.527 29.018 29.460 0.142 0.000 1.124 275 W HN 0.447 8.989 8.180 0.604 0.000 0.597 276 R N -1.445 118.561 120.500 -0.822 0.000 2.881 276 R HA 0.355 4.336 4.340 -0.598 0.000 0.331 276 R C -0.806 175.268 176.300 -0.377 0.000 1.207 276 R CA -1.297 54.306 56.100 -0.828 0.000 1.265 276 R CB 0.274 29.777 30.300 -1.327 0.000 1.351 276 R HN -0.445 7.358 8.270 -0.693 0.051 0.613 277 A N 1.264 123.959 122.820 -0.208 0.000 1.948 277 A HA -0.277 4.120 4.320 -0.092 -0.132 0.220 277 A C 1.457 178.982 177.584 -0.099 0.000 1.177 277 A CA 3.234 55.204 52.037 -0.111 0.000 0.636 277 A CB -0.350 18.610 19.000 -0.067 0.000 0.815 277 A HN -0.430 7.609 8.150 -0.185 0.000 0.449 278 S N -1.840 113.794 115.700 -0.109 0.000 2.469 278 S HA -0.264 4.168 4.470 -0.062 0.000 0.238 278 S C 1.276 175.832 174.600 -0.074 0.000 0.998 278 S CA 2.610 60.762 58.200 -0.080 0.000 0.957 278 S CB -0.999 62.157 63.200 -0.074 0.000 0.764 278 S HN 0.033 8.243 8.310 -0.129 0.023 0.514 279 T N -2.735 111.760 114.554 -0.099 0.000 3.107 279 T HA 0.279 4.598 4.350 -0.051 0.000 0.249 279 T C -0.339 174.341 174.700 -0.033 0.000 1.096 279 T CA -0.429 61.629 62.100 -0.071 0.000 1.012 279 T CB 0.344 69.152 68.868 -0.100 0.000 0.977 279 T HN -0.575 7.534 8.240 -0.138 0.049 0.527 280 T N -0.670 113.866 114.554 -0.031 0.000 3.219 280 T HA -0.344 4.069 4.350 -0.004 -0.065 0.433 280 T C -1.851 172.880 174.700 0.052 0.000 0.771 280 T CA -0.010 62.091 62.100 0.002 0.000 2.178 280 T CB -0.743 68.126 68.868 0.002 0.000 1.666 280 T HN -0.193 7.834 8.240 -0.050 0.183 0.607 281 P HA 0.487 5.179 4.420 0.155 -0.178 0.274 281 P C -1.271 176.204 177.300 0.291 0.000 1.352 281 P CA -0.253 62.938 63.100 0.152 0.000 0.947 281 P CB 1.125 32.880 31.700 0.091 0.000 1.437 282 L N -0.807 120.556 121.223 0.233 0.000 2.421 282 L HA 0.402 4.969 4.340 0.379 0.000 0.267 282 L C 0.875 177.836 176.870 0.152 0.000 1.036 282 L CA -2.030 52.970 54.840 0.266 0.000 0.829 282 L CB 2.635 44.825 42.059 0.218 0.000 1.437 282 L HN -0.093 8.474 8.230 0.162 -0.240 0.488 283 L N -2.506 118.801 121.223 0.141 0.000 2.585 283 L HA 0.116 4.350 4.340 -0.176 0.000 0.226 283 L C -0.692 176.032 176.870 -0.244 0.000 1.113 283 L CA 1.027 55.839 54.840 -0.046 0.000 0.876 283 L CB 0.372 42.481 42.059 0.082 0.000 1.072 283 L HN 0.477 8.860 8.230 0.254 0.000 0.468 284 F N -2.584 117.389 119.950 0.038 0.000 2.532 284 F HA 0.643 5.321 4.527 -0.027 -0.166 0.321 284 F C -1.052 174.723 175.800 -0.043 0.000 1.089 284 F CA -1.878 56.119 58.000 -0.005 0.000 0.926 284 F CB 3.539 42.561 39.000 0.037 0.000 1.168 284 F HN -0.755 7.738 8.300 0.322 0.000 0.459 285 D N 0.435 120.869 120.400 0.056 0.000 2.478 285 D HA 0.302 5.100 4.640 -0.024 -0.172 0.269 285 D C 1.855 178.077 176.300 -0.129 0.000 1.232 285 D CA -2.068 51.916 54.000 -0.026 0.000 1.059 285 D CB 0.840 41.621 40.800 -0.032 0.000 1.104 285 D HN 0.047 8.449 8.370 0.054 0.000 0.566 286 G N -3.307 105.401 108.800 -0.154 0.000 2.509 286 G HA2 -0.329 3.414 3.960 -0.362 0.000 0.218 286 G HA3 -0.329 3.519 3.960 -0.187 0.000 0.218 286 G C 0.493 175.205 174.900 -0.312 0.000 1.124 286 G CA 2.023 46.965 45.100 -0.263 0.000 0.776 286 G HN 0.499 8.727 8.290 -0.103 0.000 0.547 287 N N 0.632 119.240 118.700 -0.152 0.000 2.314 287 N HA 0.084 4.816 4.740 -0.013 0.000 0.200 287 N C -1.118 174.464 175.510 0.120 0.000 1.135 287 N CA -1.492 51.543 53.050 -0.025 0.000 0.835 287 N CB 0.435 38.937 38.487 0.024 0.000 0.989 287 N HN -0.757 7.703 8.380 -0.104 -0.142 0.478 288 F N -6.068 113.926 119.950 0.074 0.000 3.057 288 F HA -0.392 4.223 4.527 0.146 0.000 0.287 288 F C -0.835 175.082 175.800 0.196 0.000 0.834 288 F CA 1.525 59.590 58.000 0.108 0.000 1.147 288 F CB -3.230 35.779 39.000 0.016 0.000 1.245 288 F HN -0.307 7.661 8.300 -0.272 0.168 0.509 289 N N -0.321 118.533 118.700 0.257 0.000 2.456 289 N HA 0.443 5.304 4.740 0.201 0.000 0.296 289 N C -2.458 173.053 175.510 0.001 0.000 1.102 289 N CA -1.872 51.275 53.050 0.162 0.000 0.924 289 N CB 1.276 39.795 38.487 0.053 0.000 1.186 289 N HN -0.532 8.207 8.380 0.165 -0.260 0.492 290 P HA 0.028 3.659 4.420 -1.522 -0.124 0.271 290 P C -0.899 176.177 177.300 -0.374 0.000 1.216 290 P CA -0.261 62.367 63.100 -0.787 0.000 0.776 290 P CB 0.596 31.854 31.700 -0.736 0.000 0.881 291 K N 2.957 123.144 120.400 -0.355 0.000 2.098 291 K HA 0.273 4.518 4.320 -0.125 0.000 0.244 291 K C -0.301 176.236 176.600 -0.106 0.000 1.014 291 K CA -1.892 54.296 56.287 -0.165 0.000 0.917 291 K CB -0.706 31.715 32.500 -0.132 0.000 1.072 291 K HN 0.078 8.024 8.250 -0.507 0.000 0.477 292 P HA -0.281 4.120 4.420 -0.032 0.000 0.216 292 P C 0.541 177.815 177.300 -0.043 0.000 1.150 292 P CA 2.966 66.044 63.100 -0.035 0.000 0.843 292 P CB -0.150 31.542 31.700 -0.014 0.000 0.787 293 A N -3.968 118.815 122.820 -0.062 0.000 1.969 293 A HA -0.165 4.134 4.320 -0.035 0.000 0.218 293 A C 1.784 179.259 177.584 -0.182 0.000 1.169 293 A CA 2.311 54.289 52.037 -0.098 0.000 0.635 293 A CB -0.767 18.146 19.000 -0.145 0.000 0.810 293 A HN 0.185 8.286 8.150 -0.059 0.013 0.445 294 Y N 0.093 120.205 120.300 -0.314 0.000 2.128 294 Y HA -0.500 3.849 4.550 -0.334 0.000 0.284 294 Y C 1.585 177.349 175.900 -0.227 0.000 1.154 294 Y CA 4.177 62.078 58.100 -0.331 0.000 1.149 294 Y CB 0.062 38.228 38.460 -0.491 0.000 0.976 294 Y HN -0.561 7.654 8.280 -0.108 0.000 0.505 295 N N -1.506 117.178 118.700 -0.026 0.000 2.223 295 N HA -0.420 4.305 4.740 -0.025 0.000 0.185 295 N C 2.171 177.622 175.510 -0.098 0.000 1.016 295 N CA 2.913 55.938 53.050 -0.042 0.000 0.863 295 N CB -0.698 37.787 38.487 -0.005 0.000 0.983 295 N HN -0.538 7.851 8.380 0.014 0.000 0.429 296 A N 0.605 123.372 122.820 -0.087 0.000 1.930 296 A HA -0.210 4.083 4.320 -0.044 0.000 0.217 296 A C 1.830 179.365 177.584 -0.082 0.000 1.175 296 A CA 2.992 54.994 52.037 -0.058 0.000 0.627 296 A CB -0.445 18.545 19.000 -0.018 0.000 0.815 296 A HN -0.137 7.864 8.150 -0.081 0.100 0.443 297 I N -1.339 119.142 120.570 -0.148 0.000 2.202 297 I HA -0.581 3.557 4.170 -0.053 0.000 0.242 297 I C 1.744 177.740 176.117 -0.202 0.000 1.091 297 I CA 4.209 65.418 61.300 -0.152 0.000 1.368 297 I CB -0.083 37.786 38.000 -0.218 0.000 1.058 297 I HN -0.433 7.665 8.210 -0.187 0.000 0.410 298 V N -0.279 119.440 119.914 -0.325 0.000 2.252 298 V HA -0.559 3.402 4.120 -0.266 0.000 0.249 298 V C 1.957 177.977 176.094 -0.124 0.000 1.056 298 V CA 4.464 66.614 62.300 -0.249 0.000 1.022 298 V CB -1.112 30.572 31.823 -0.232 0.000 0.641 298 V HN -0.231 7.702 8.190 -0.428 0.000 0.445 299 Q N -1.691 118.053 119.800 -0.093 0.000 2.079 299 Q HA -0.290 4.182 4.340 -0.046 -0.160 0.200 299 Q C 2.201 178.179 176.000 -0.037 0.000 0.974 299 Q CA 3.004 58.777 55.803 -0.051 0.000 0.840 299 Q CB -0.300 28.416 28.738 -0.038 0.000 0.898 299 Q HN -0.290 7.917 8.270 -0.106 0.000 0.430 300 N N -0.580 118.098 118.700 -0.036 0.000 2.149 300 N HA -0.202 4.533 4.740 -0.009 0.000 0.188 300 N C 1.565 177.067 175.510 -0.012 0.000 1.019 300 N CA 2.648 55.689 53.050 -0.014 0.000 0.857 300 N CB 0.195 38.683 38.487 0.001 0.000 0.997 300 N HN -0.366 7.986 8.380 -0.046 0.000 0.426 301 L N -3.597 117.611 121.223 -0.025 0.000 2.313 301 L HA -0.128 4.212 4.340 -0.001 0.000 0.214 301 L C 1.017 177.876 176.870 -0.018 0.000 1.119 301 L CA 0.915 55.745 54.840 -0.015 0.000 0.809 301 L CB -0.035 42.011 42.059 -0.020 0.000 0.933 301 L HN -0.490 7.696 8.230 -0.044 0.018 0.449 302 Q N -1.108 118.676 119.800 -0.026 0.000 2.386 302 Q HA -0.222 4.106 4.340 -0.020 0.000 0.282 302 Q C -0.699 175.294 176.000 -0.012 0.000 1.050 302 Q CA 1.693 57.484 55.803 -0.020 0.000 0.918 302 Q CB 0.425 29.149 28.738 -0.022 0.000 1.266 302 Q HN -0.594 7.655 8.270 -0.034 0.000 0.423 303 Q N 0.000 119.795 119.800 -0.009 0.000 2.315 303 Q HA 0.000 4.337 4.340 -0.005 0.000 0.214 303 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 303 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 303 Q HN 0.000 8.264 8.270 -0.009 0.000 0.481