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 3f9k_1_I DATA FIRST_RESID 4 DATA SEQUENCE KIEPAQEEHE KYHSNVKELS HKFGIPNLVA RQIVNSCAQC QQKGEAIHGQ DATA SEQUENCE VNAELGTWQM DCTHLEGKII IVAVHVASGF IEAEVIPQES GRQTALFLLK DATA SEQUENCE LASRWPITHL HTDNGANFTS QEVKMVAWWI GIEQSFGVPY NPQSQGVVEA DATA SEQUENCE MNHHLKNQIS RIREQANTIE TIVLMAVHCM NFKRRGGIGD MTPSERLINM DATA SEQUENCE ITTE 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 4 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4 K C 0.000 176.562 176.600 -0.063 0.000 0.988 4 K CA 0.000 56.287 56.287 0.000 0.000 0.838 4 K CB 0.000 32.535 32.500 0.058 0.000 1.064 5 I N -1.079 119.448 120.570 -0.072 0.000 2.617 5 I HA -0.007 4.160 4.170 -0.005 0.000 0.256 5 I C 1.349 177.373 176.117 -0.156 0.000 1.167 5 I CA 1.116 62.348 61.300 -0.113 0.000 1.469 5 I CB -0.433 37.524 38.000 -0.072 0.000 1.098 5 I HN 0.131 8.341 8.210 -0.000 0.000 0.436 6 E N 2.081 122.212 120.200 -0.116 0.000 2.017 6 E HA -0.118 4.229 4.350 -0.005 0.000 0.193 6 E C 0.039 176.545 176.600 -0.157 0.000 0.997 6 E CA 1.673 58.009 56.400 -0.106 0.000 0.804 6 E CB -1.777 27.888 29.700 -0.059 0.000 0.757 6 E HN 0.408 8.768 8.360 -0.000 0.000 0.448 7 P HA -0.132 4.288 4.420 -0.000 0.000 0.217 7 P C 1.117 178.045 177.300 -0.620 0.000 1.148 7 P CA 2.079 65.048 63.100 -0.218 0.000 0.828 7 P CB -0.065 31.601 31.700 -0.058 0.000 0.783 8 A N -0.723 121.543 122.820 -0.924 0.000 1.930 8 A HA -0.196 4.121 4.320 -0.005 0.000 0.215 8 A C 2.383 179.740 177.584 -0.379 0.000 1.176 8 A CA 1.377 52.769 52.037 -1.075 0.000 0.632 8 A CB -1.261 17.259 19.000 -0.800 0.000 0.819 8 A HN 0.147 8.297 8.150 -0.000 0.000 0.445 9 Q N -0.298 119.353 119.800 -0.248 0.000 2.084 9 Q HA -0.243 4.094 4.340 -0.005 0.000 0.202 9 Q C 2.038 177.990 176.000 -0.079 0.000 0.978 9 Q CA 1.996 57.724 55.803 -0.125 0.000 0.844 9 Q CB -0.158 28.516 28.738 -0.107 0.000 0.898 9 Q HN 0.797 9.067 8.270 -0.000 0.000 0.426 10 E N -0.006 120.133 120.200 -0.102 0.000 2.051 10 E HA -0.282 4.065 4.350 -0.005 0.000 0.192 10 E C 1.824 178.398 176.600 -0.044 0.000 0.991 10 E CA 1.444 57.803 56.400 -0.068 0.000 0.799 10 E CB -0.059 29.609 29.700 -0.053 0.000 0.748 10 E HN 0.353 8.713 8.360 -0.000 0.000 0.449 11 E N -0.358 119.846 120.200 0.007 0.000 2.085 11 E HA -0.267 4.079 4.350 -0.005 0.000 0.194 11 E C 1.878 178.560 176.600 0.137 0.000 0.994 11 E CA 1.936 58.444 56.400 0.179 0.000 0.801 11 E CB -0.297 29.646 29.700 0.405 0.000 0.743 11 E HN 0.476 8.836 8.360 -0.000 0.000 0.453 12 H N -0.179 118.881 119.070 -0.017 0.000 2.395 12 H HA 0.069 4.621 4.556 -0.006 0.000 0.299 12 H C 1.947 177.078 175.328 -0.328 0.000 1.070 12 H CA 1.621 57.619 56.048 -0.083 0.000 1.356 12 H CB 0.025 29.747 29.762 -0.068 0.000 1.401 12 H HN 0.280 8.560 8.280 -0.000 0.000 0.524 13 E N 0.175 120.285 120.200 -0.150 0.000 2.219 13 E HA -0.227 4.120 4.350 -0.005 0.000 0.198 13 E C 1.878 178.267 176.600 -0.351 0.000 0.998 13 E CA 1.158 57.410 56.400 -0.247 0.000 0.818 13 E CB 0.101 29.732 29.700 -0.114 0.000 0.741 13 E HN 0.452 8.812 8.360 -0.000 0.000 0.477 14 K N -1.167 119.017 120.400 -0.359 0.000 2.172 14 K HA -0.031 4.286 4.320 -0.005 0.000 0.203 14 K C 1.229 177.577 176.600 -0.420 0.000 1.040 14 K CA 0.694 56.704 56.287 -0.461 0.000 0.974 14 K CB 0.190 32.257 32.500 -0.720 0.000 0.857 14 K HN 0.108 8.358 8.250 -0.000 0.000 0.464 15 Y N -0.906 119.376 120.300 -0.029 0.000 2.462 15 Y HA 0.227 4.773 4.550 -0.006 0.000 0.253 15 Y C -0.151 175.780 175.900 0.051 0.000 1.095 15 Y CA -0.088 58.052 58.100 0.066 0.000 1.283 15 Y CB 0.353 38.872 38.460 0.098 0.000 1.138 15 Y HN 0.146 8.426 8.280 -0.000 0.000 0.522 16 H N -0.617 118.314 119.070 -0.230 0.000 2.886 16 H HA -0.148 4.406 4.556 -0.004 0.000 0.294 16 H C -0.004 175.158 175.328 -0.277 0.000 1.246 16 H CA 0.415 56.020 56.048 -0.738 0.000 1.142 16 H CB -1.664 27.849 29.762 -0.415 0.000 1.358 16 H HN 0.176 8.456 8.280 -0.000 0.000 0.406 17 S N 2.143 117.892 115.700 0.082 0.000 2.702 17 S HA -0.054 4.413 4.470 -0.005 0.000 0.314 17 S C 1.248 176.033 174.600 0.308 0.000 1.244 17 S CA 0.451 58.786 58.200 0.225 0.000 1.058 17 S CB 0.469 63.843 63.200 0.291 0.000 0.783 17 S HN 0.572 8.882 8.310 -0.000 0.000 0.503 18 N N 2.552 121.384 118.700 0.221 0.000 2.263 18 N HA 0.044 4.781 4.740 -0.005 0.000 0.239 18 N C 1.123 176.745 175.510 0.186 0.000 1.317 18 N CA -0.479 52.696 53.050 0.208 0.000 0.909 18 N CB -0.214 38.360 38.487 0.146 0.000 1.171 18 N HN 0.201 8.581 8.380 -0.000 0.000 0.492 19 V N 0.544 120.541 119.914 0.137 0.000 2.255 19 V HA -0.234 3.882 4.120 -0.005 0.000 0.247 19 V C 2.415 178.575 176.094 0.109 0.000 1.051 19 V CA 2.036 64.400 62.300 0.105 0.000 1.018 19 V CB -0.810 31.055 31.823 0.070 0.000 0.641 19 V HN 0.677 8.867 8.190 -0.000 0.000 0.445 20 K N -0.393 120.061 120.400 0.089 0.000 2.103 20 K HA -0.257 4.060 4.320 -0.005 0.000 0.207 20 K C 2.179 178.845 176.600 0.109 0.000 1.048 20 K CA 1.758 58.092 56.287 0.078 0.000 0.930 20 K CB -0.161 32.356 32.500 0.029 0.000 0.716 20 K HN 0.481 8.731 8.250 -0.000 0.000 0.444 21 E N 1.487 121.754 120.200 0.112 0.000 2.028 21 E HA -0.143 4.204 4.350 -0.005 0.000 0.191 21 E C 1.835 178.566 176.600 0.218 0.000 0.988 21 E CA 1.223 57.702 56.400 0.131 0.000 0.799 21 E CB -0.341 29.427 29.700 0.114 0.000 0.755 21 E HN 0.175 8.535 8.360 -0.000 0.000 0.447 22 L N 0.162 121.540 121.223 0.258 0.000 1.990 22 L HA -0.234 4.103 4.340 -0.005 0.000 0.213 22 L C 2.732 179.809 176.870 0.344 0.000 1.072 22 L CA 1.672 56.732 54.840 0.368 0.000 0.755 22 L CB -0.796 41.420 42.059 0.262 0.000 0.889 22 L HN 0.215 8.445 8.230 -0.000 0.000 0.432 23 S N -1.422 114.409 115.700 0.218 0.000 2.359 23 S HA -0.273 4.194 4.470 -0.005 0.000 0.224 23 S C 2.097 176.795 174.600 0.163 0.000 1.035 23 S CA 1.478 59.779 58.200 0.167 0.000 1.018 23 S CB -0.365 62.906 63.200 0.119 0.000 0.876 23 S HN 0.514 8.824 8.310 -0.000 0.000 0.448 24 H N 0.971 120.083 119.070 0.070 0.000 2.299 24 H HA -0.042 4.511 4.556 -0.005 0.000 0.302 24 H C 2.251 177.572 175.328 -0.012 0.000 1.078 24 H CA 2.099 58.163 56.048 0.026 0.000 1.323 24 H CB -0.377 29.391 29.762 0.009 0.000 1.381 24 H HN 0.340 8.620 8.280 -0.000 0.000 0.498 25 K N 0.235 120.702 120.400 0.111 0.000 2.057 25 K HA -0.126 4.190 4.320 -0.005 0.000 0.207 25 K C 1.434 177.777 176.600 -0.427 0.000 1.049 25 K CA 1.790 57.963 56.287 -0.189 0.000 0.931 25 K CB -0.421 31.881 32.500 -0.330 0.000 0.714 25 K HN 0.236 8.486 8.250 -0.000 0.000 0.440 26 F N -0.525 119.442 119.950 0.029 0.000 2.678 26 F HA 0.347 4.870 4.527 -0.006 0.000 0.305 26 F C 1.245 177.040 175.800 -0.008 0.000 1.090 26 F CA 0.055 58.064 58.000 0.016 0.000 1.272 26 F CB 0.744 39.765 39.000 0.036 0.000 1.060 26 F HN 0.219 8.519 8.300 -0.000 0.000 0.576 27 G N 2.155 111.005 108.800 0.083 0.000 2.233 27 G HA2 -0.346 3.610 3.960 -0.005 0.000 0.270 27 G HA3 -0.346 3.610 3.960 -0.005 0.000 0.270 27 G C 0.467 175.409 174.900 0.069 0.000 1.011 27 G CA 0.551 45.672 45.100 0.035 0.000 0.762 27 G HN 0.529 8.819 8.290 -0.000 0.000 0.511 28 I N 0.064 120.703 120.570 0.114 0.000 2.519 28 I HA 0.505 4.672 4.170 -0.005 0.000 0.287 28 I C -1.741 174.412 176.117 0.060 0.000 1.047 28 I CA -2.269 59.080 61.300 0.081 0.000 1.381 28 I CB 1.188 39.237 38.000 0.082 0.000 1.417 28 I HN -0.114 8.096 8.210 -0.000 0.000 0.540 29 P HA 0.090 4.510 4.420 -0.000 0.000 0.268 29 P C -0.136 177.183 177.300 0.033 0.000 1.208 29 P CA 0.193 63.310 63.100 0.029 0.000 0.777 29 P CB 0.445 32.156 31.700 0.018 0.000 0.875 30 N N 1.080 119.799 118.700 0.031 0.000 2.149 30 N HA -0.185 4.552 4.740 -0.005 0.000 0.188 30 N C 1.408 176.932 175.510 0.023 0.000 1.019 30 N CA 0.987 54.057 53.050 0.033 0.000 0.857 30 N CB -0.554 37.951 38.487 0.029 0.000 0.997 30 N HN 0.292 8.672 8.380 -0.000 0.000 0.426 31 L N -0.069 121.163 121.223 0.015 0.000 2.027 31 L HA -0.054 4.283 4.340 -0.005 0.000 0.206 31 L C 1.824 178.693 176.870 -0.000 0.000 1.074 31 L CA 1.381 56.225 54.840 0.007 0.000 0.745 31 L CB -0.657 41.404 42.059 0.004 0.000 0.898 31 L HN 0.014 8.244 8.230 -0.000 0.000 0.433 32 V N 0.336 120.250 119.914 0.000 0.000 2.392 32 V HA -0.292 3.825 4.120 -0.005 0.000 0.249 32 V C 2.834 178.916 176.094 -0.020 0.000 1.059 32 V CA 1.578 63.871 62.300 -0.012 0.000 1.051 32 V CB -1.764 30.054 31.823 -0.009 0.000 0.658 32 V HN 0.607 8.797 8.190 -0.000 0.000 0.455 33 A N 0.121 122.941 122.820 0.001 0.000 1.877 33 A HA -0.254 4.063 4.320 -0.005 0.000 0.216 33 A C 2.444 180.015 177.584 -0.022 0.000 1.186 33 A CA 2.061 54.101 52.037 0.004 0.000 0.620 33 A CB -0.595 18.434 19.000 0.049 0.000 0.822 33 A HN 0.457 8.607 8.150 -0.000 0.000 0.443 34 R N -0.550 119.945 120.500 -0.007 0.000 2.096 34 R HA -0.179 4.158 4.340 -0.005 0.000 0.235 34 R C 2.360 178.640 176.300 -0.034 0.000 1.127 34 R CA 1.790 57.883 56.100 -0.011 0.000 0.968 34 R CB -0.247 30.055 30.300 0.003 0.000 0.861 34 R HN 0.722 8.992 8.270 -0.000 0.000 0.440 35 Q N -0.057 119.721 119.800 -0.037 0.000 2.119 35 Q HA -0.132 4.205 4.340 -0.005 0.000 0.201 35 Q C 2.138 178.092 176.000 -0.077 0.000 0.972 35 Q CA 1.510 57.286 55.803 -0.045 0.000 0.847 35 Q CB -0.034 28.683 28.738 -0.036 0.000 0.903 35 Q HN 0.404 8.674 8.270 -0.000 0.000 0.433 36 I N -0.046 120.458 120.570 -0.111 0.000 2.163 36 I HA -0.281 3.885 4.170 -0.005 0.000 0.243 36 I C 2.112 178.056 176.117 -0.288 0.000 1.085 36 I CA 1.007 62.196 61.300 -0.186 0.000 1.347 36 I CB -0.244 37.630 38.000 -0.210 0.000 1.044 36 I HN 0.058 8.268 8.210 -0.000 0.000 0.408 37 V N 0.995 120.734 119.914 -0.292 0.000 2.427 37 V HA -0.235 3.882 4.120 -0.005 0.000 0.248 37 V C 2.066 178.107 176.094 -0.089 0.000 1.051 37 V CA 1.693 63.834 62.300 -0.265 0.000 1.048 37 V CB -0.919 30.843 31.823 -0.101 0.000 0.666 37 V HN 0.446 8.636 8.190 -0.000 0.000 0.456 38 N N 0.642 119.305 118.700 -0.061 0.000 2.223 38 N HA -0.117 4.620 4.740 -0.005 0.000 0.185 38 N C 1.873 177.372 175.510 -0.018 0.000 1.016 38 N CA 1.722 54.758 53.050 -0.023 0.000 0.863 38 N CB -0.308 38.168 38.487 -0.019 0.000 0.983 38 N HN 0.453 8.833 8.380 -0.000 0.000 0.429 39 S N -0.484 115.192 115.700 -0.041 0.000 2.603 39 S HA 0.043 4.509 4.470 -0.005 0.000 0.220 39 S C 0.857 175.457 174.600 -0.000 0.000 0.967 39 S CA -0.257 57.928 58.200 -0.025 0.000 0.920 39 S CB -0.035 63.141 63.200 -0.040 0.000 0.773 39 S HN 0.379 8.689 8.310 -0.000 0.000 0.529 40 C N 2.937 122.246 119.300 0.015 0.000 2.303 40 C HA 0.706 5.162 4.460 -0.005 0.000 0.341 40 C C 1.843 176.905 174.990 0.119 0.000 1.244 40 C CA -0.609 58.472 59.018 0.106 0.000 1.765 40 C CB -0.656 27.225 27.740 0.236 0.000 2.379 40 C HN 0.532 8.762 8.230 -0.000 0.000 0.530 41 A N 4.254 127.138 122.820 0.108 0.000 1.865 41 A HA -0.185 4.131 4.320 -0.005 0.000 0.217 41 A C 2.006 179.643 177.584 0.089 0.000 1.191 41 A CA 1.915 54.001 52.037 0.082 0.000 0.623 41 A CB -0.580 18.459 19.000 0.066 0.000 0.826 41 A HN 0.914 9.064 8.150 -0.000 0.000 0.444 42 Q N -1.012 118.861 119.800 0.122 0.000 2.170 42 Q HA -0.106 4.231 4.340 -0.005 0.000 0.203 42 Q C 2.007 178.028 176.000 0.035 0.000 0.976 42 Q CA 1.656 57.489 55.803 0.051 0.000 0.858 42 Q CB -0.782 27.945 28.738 -0.018 0.000 0.907 42 Q HN 0.712 8.982 8.270 -0.000 0.000 0.433 43 C N 0.328 119.705 119.300 0.128 0.000 2.500 43 C HA 0.041 4.497 4.460 -0.005 0.000 0.273 43 C C 0.737 175.779 174.990 0.086 0.000 1.428 43 C CA -0.555 58.540 59.018 0.129 0.000 1.766 43 C CB -0.757 27.141 27.740 0.264 0.000 1.817 43 C HN 0.398 8.628 8.230 -0.000 0.000 0.543 44 Q N 0.579 120.421 119.800 0.070 0.000 2.364 44 Q HA 0.121 4.457 4.340 -0.005 0.000 0.267 44 Q C 0.481 176.504 176.000 0.039 0.000 0.999 44 Q CA 0.778 56.611 55.803 0.051 0.000 0.886 44 Q CB 0.009 28.773 28.738 0.043 0.000 1.243 44 Q HN 0.492 8.762 8.270 -0.000 0.000 0.415 45 Q N 0.382 120.205 119.800 0.039 0.000 2.468 45 Q HA -0.268 4.069 4.340 -0.005 0.000 0.289 45 Q C -0.949 175.076 176.000 0.041 0.000 1.299 45 Q CA 0.993 56.818 55.803 0.037 0.000 0.838 45 Q CB -0.826 27.929 28.738 0.029 0.000 1.195 45 Q HN 0.408 8.678 8.270 -0.000 0.000 0.456 46 K N -0.903 119.527 120.400 0.049 0.000 2.464 46 K HA 0.628 4.945 4.320 -0.005 0.000 0.253 46 K C 0.019 176.668 176.600 0.081 0.000 0.933 46 K CA -0.175 56.145 56.287 0.055 0.000 0.801 46 K CB 1.869 34.384 32.500 0.026 0.000 1.271 46 K HN 0.146 8.396 8.250 -0.000 0.000 0.430 47 G N 0.429 109.300 108.800 0.119 0.000 2.477 47 G HA2 0.479 4.436 3.960 -0.005 0.000 0.304 47 G HA3 0.479 4.436 3.960 -0.005 0.000 0.304 47 G C -0.524 174.464 174.900 0.148 0.000 1.175 47 G CA -0.386 44.799 45.100 0.142 0.000 0.907 47 G HN 0.653 8.943 8.290 -0.000 0.000 0.509 48 E N -0.896 119.370 120.200 0.109 0.000 2.373 48 E HA 0.614 4.961 4.350 -0.005 0.000 0.263 48 E C 0.645 177.211 176.600 -0.058 0.000 1.073 48 E CA -0.150 56.281 56.400 0.050 0.000 0.894 48 E CB 0.889 30.624 29.700 0.059 0.000 1.008 48 E HN 1.213 9.573 8.360 -0.000 0.000 0.420 49 A N 0.540 123.199 122.820 -0.268 0.000 2.250 49 A HA 0.684 5.001 4.320 -0.005 0.000 0.283 49 A C 0.665 177.848 177.584 -0.668 0.000 1.206 49 A CA 0.165 51.735 52.037 -0.778 0.000 0.840 49 A CB -0.022 18.604 19.000 -0.623 0.000 1.220 49 A HN 1.372 9.522 8.150 -0.000 0.000 0.505 50 I N -3.435 116.711 120.570 -0.706 0.000 2.566 50 I HA 0.675 4.842 4.170 -0.005 0.000 0.303 50 I C 0.157 175.964 176.117 -0.517 0.000 0.983 50 I CA -0.370 60.678 61.300 -0.419 0.000 1.235 50 I CB 1.311 39.181 38.000 -0.216 0.000 1.386 50 I HN 0.754 8.964 8.210 -0.000 0.000 0.494 51 H N 2.888 121.888 119.070 -0.117 0.000 2.772 51 H HA 0.512 5.065 4.556 -0.005 0.000 0.222 51 H C 0.435 175.704 175.328 -0.099 0.000 1.135 51 H CA 0.364 56.350 56.048 -0.104 0.000 1.513 51 H CB 0.205 29.913 29.762 -0.090 0.000 1.377 51 H HN 0.735 9.015 8.280 -0.000 0.000 0.524 52 G N -0.445 108.388 108.800 0.055 0.000 2.644 52 G HA2 0.473 4.430 3.960 -0.005 0.000 0.300 52 G HA3 0.473 4.430 3.960 -0.005 0.000 0.300 52 G C -0.837 174.035 174.900 -0.047 0.000 1.395 52 G CA -0.278 44.807 45.100 -0.023 0.000 0.964 52 G HN 0.530 8.820 8.290 -0.000 0.000 0.511 53 Q N 1.719 121.471 119.800 -0.080 0.000 3.027 53 Q HA 0.430 4.766 4.340 -0.005 0.000 0.260 53 Q C 0.981 176.921 176.000 -0.099 0.000 1.379 53 Q CA -0.164 55.588 55.803 -0.084 0.000 1.038 53 Q CB 0.219 28.900 28.738 -0.095 0.000 1.578 53 Q HN 1.839 10.109 8.270 -0.000 0.000 0.571 54 V N -1.499 118.369 119.914 -0.077 0.000 2.588 54 V HA 0.426 4.543 4.120 -0.005 0.000 0.329 54 V C 0.619 176.670 176.094 -0.071 0.000 1.688 54 V CA 1.020 63.275 62.300 -0.075 0.000 1.686 54 V CB -1.412 30.377 31.823 -0.057 0.000 1.383 54 V HN 0.771 8.961 8.190 -0.000 0.000 0.492 55 N N 0.276 118.926 118.700 -0.084 0.000 2.008 55 N HA 0.641 5.378 4.740 -0.005 0.000 0.228 55 N C 0.792 176.246 175.510 -0.094 0.000 1.375 55 N CA 0.381 53.385 53.050 -0.076 0.000 0.856 55 N CB 0.485 38.932 38.487 -0.066 0.000 1.096 55 N HN 1.111 9.491 8.380 -0.000 0.000 0.489 56 A N 0.416 123.163 122.820 -0.122 0.000 2.332 56 A HA 0.641 4.957 4.320 -0.005 0.000 0.258 56 A C 0.719 178.220 177.584 -0.139 0.000 1.087 56 A CA 0.598 52.546 52.037 -0.148 0.000 0.802 56 A CB -0.409 18.473 19.000 -0.197 0.000 1.042 56 A HN 0.992 9.142 8.150 -0.000 0.000 0.489 57 E N 0.159 120.282 120.200 -0.128 0.000 2.373 57 E HA 0.370 4.717 4.350 -0.005 0.000 0.263 57 E C 0.775 177.338 176.600 -0.063 0.000 1.073 57 E CA 0.053 56.405 56.400 -0.080 0.000 0.894 57 E CB 0.314 29.977 29.700 -0.062 0.000 1.008 57 E HN 1.407 9.767 8.360 -0.000 0.000 0.420 58 L N 1.728 122.954 121.223 0.006 0.000 2.187 58 L HA 0.048 4.385 4.340 -0.005 0.000 0.213 58 L C 2.037 179.030 176.870 0.204 0.000 1.100 58 L CA 2.818 57.719 54.840 0.102 0.000 0.765 58 L CB -0.250 41.857 42.059 0.080 0.000 0.904 58 L HN 0.677 8.907 8.230 -0.000 0.000 0.437 59 G N -1.565 107.327 108.800 0.154 0.000 3.284 59 G HA2 0.077 4.034 3.960 -0.005 0.000 0.236 59 G HA3 0.077 4.034 3.960 -0.005 0.000 0.236 59 G C 0.214 175.307 174.900 0.321 0.000 1.158 59 G CA 0.129 45.388 45.100 0.265 0.000 0.774 59 G HN 0.330 8.620 8.290 -0.000 0.000 0.545 60 T N 1.193 115.817 114.554 0.117 0.000 2.728 60 T HA 0.387 4.734 4.350 -0.005 0.000 0.296 60 T C -1.109 173.570 174.700 -0.036 0.000 0.940 60 T CA -0.067 62.093 62.100 0.100 0.000 1.013 60 T CB 0.754 69.594 68.868 -0.048 0.000 0.912 60 T HN 0.268 8.508 8.240 -0.000 0.000 0.484 61 W N 1.829 123.185 121.300 0.094 0.000 2.844 61 W HA 0.528 5.184 4.660 -0.005 0.000 0.340 61 W C -0.011 176.552 176.519 0.074 0.000 1.093 61 W CA -0.861 56.532 57.345 0.080 0.000 1.212 61 W CB 1.434 30.955 29.460 0.101 0.000 1.422 61 W HN 0.438 8.618 8.180 -0.000 0.000 0.515 62 Q N 2.540 122.518 119.800 0.297 0.000 2.365 62 Q HA 0.712 5.049 4.340 -0.005 0.000 0.269 62 Q C -1.020 175.101 176.000 0.202 0.000 1.061 62 Q CA -1.154 54.773 55.803 0.205 0.000 0.816 62 Q CB 3.216 32.058 28.738 0.174 0.000 1.325 62 Q HN 0.509 8.779 8.270 -0.000 0.000 0.446 63 M N 1.665 121.303 119.600 0.064 0.000 2.457 63 M HA 0.485 4.962 4.480 -0.005 0.000 0.300 63 M C -2.000 174.224 176.300 -0.126 0.000 1.141 63 M CA -0.301 55.043 55.300 0.074 0.000 0.901 63 M CB 2.104 34.784 32.600 0.133 0.000 1.687 63 M HN 0.694 8.984 8.290 -0.000 0.000 0.449 64 D N 1.537 122.007 120.400 0.116 0.000 2.665 64 D HA 0.557 5.194 4.640 -0.005 0.000 0.287 64 D C -1.994 174.486 176.300 0.300 0.000 1.266 64 D CA -0.148 53.973 54.000 0.203 0.000 0.830 64 D CB 2.264 43.130 40.800 0.109 0.000 1.356 64 D HN 0.739 9.109 8.370 -0.000 0.000 0.437 65 C N 0.359 119.814 119.300 0.259 0.000 2.455 65 C HA 0.879 5.336 4.460 -0.005 0.000 0.320 65 C C -0.102 174.850 174.990 -0.062 0.000 1.226 65 C CA -0.366 58.674 59.018 0.038 0.000 1.569 65 C CB 1.178 28.899 27.740 -0.032 0.000 2.200 65 C HN 0.518 8.748 8.230 -0.000 0.000 0.491 66 T N 0.935 115.374 114.554 -0.191 0.000 2.901 66 T HA 0.625 4.972 4.350 -0.005 0.000 0.293 66 T C -1.461 173.013 174.700 -0.377 0.000 1.084 66 T CA -0.347 61.656 62.100 -0.163 0.000 1.008 66 T CB 0.840 69.694 68.868 -0.023 0.000 1.170 66 T HN 0.790 9.030 8.240 -0.000 0.000 0.509 67 H N 1.200 120.278 119.070 0.014 0.000 2.622 67 H HA 0.783 5.336 4.556 -0.006 0.000 0.363 67 H C -0.755 174.575 175.328 0.002 0.000 1.151 67 H CA -0.772 55.278 56.048 0.004 0.000 1.184 67 H CB 1.636 31.401 29.762 0.004 0.000 1.643 67 H HN 0.349 8.629 8.280 -0.000 0.000 0.531 68 L N 1.892 123.176 121.223 0.101 0.000 2.562 68 L HA 0.221 4.558 4.340 -0.005 0.000 0.266 68 L C -0.662 176.234 176.870 0.044 0.000 0.949 68 L CA -0.487 54.386 54.840 0.054 0.000 0.879 68 L CB 1.329 43.401 42.059 0.022 0.000 1.278 68 L HN 0.933 9.163 8.230 -0.000 0.000 0.404 69 E N 3.184 123.405 120.200 0.036 0.000 2.269 69 E HA -0.263 4.084 4.350 -0.005 0.000 0.223 69 E C 0.959 177.576 176.600 0.028 0.000 1.244 69 E CA 0.725 57.140 56.400 0.025 0.000 0.713 69 E CB -1.127 28.582 29.700 0.016 0.000 1.178 69 E HN 1.147 9.507 8.360 -0.000 0.000 0.370 70 G N -0.313 108.512 108.800 0.041 0.000 2.166 70 G HA2 -0.379 3.578 3.960 -0.005 0.000 0.260 70 G HA3 -0.379 3.578 3.960 -0.005 0.000 0.260 70 G C 0.180 175.112 174.900 0.054 0.000 0.986 70 G CA 1.070 46.195 45.100 0.041 0.000 0.683 70 G HN 0.210 8.500 8.290 -0.000 0.000 0.527 71 K N -0.268 120.165 120.400 0.056 0.000 2.156 71 K HA 0.749 5.066 4.320 -0.005 0.000 0.254 71 K C 0.418 177.039 176.600 0.035 0.000 0.950 71 K CA -0.754 55.555 56.287 0.037 0.000 0.849 71 K CB 1.115 33.622 32.500 0.011 0.000 1.100 71 K HN 0.190 8.440 8.250 -0.000 0.000 0.434 72 I N 4.291 124.857 120.570 -0.007 0.000 2.304 72 I HA 0.315 4.481 4.170 -0.005 0.000 0.291 72 I C -0.307 175.721 176.117 -0.148 0.000 1.018 72 I CA -0.390 60.845 61.300 -0.108 0.000 1.260 72 I CB 0.607 38.559 38.000 -0.080 0.000 1.390 72 I HN 0.318 8.528 8.210 -0.000 0.000 0.475 73 I N 7.373 127.824 120.570 -0.197 0.000 2.339 73 I HA 0.385 4.552 4.170 -0.005 0.000 0.290 73 I C -0.140 175.860 176.117 -0.196 0.000 0.994 73 I CA -0.493 60.709 61.300 -0.163 0.000 1.191 73 I CB 1.811 39.749 38.000 -0.104 0.000 1.343 73 I HN 0.510 8.720 8.210 -0.000 0.000 0.458 74 I N 7.302 127.712 120.570 -0.268 0.000 2.385 74 I HA 0.463 4.630 4.170 -0.005 0.000 0.294 74 I C -0.855 175.094 176.117 -0.279 0.000 0.988 74 I CA -0.407 60.699 61.300 -0.323 0.000 1.265 74 I CB 1.181 38.831 38.000 -0.583 0.000 1.388 74 I HN 0.245 8.455 8.210 -0.000 0.000 0.480 75 V N 6.843 126.749 119.914 -0.013 0.000 2.709 75 V HA 0.773 4.890 4.120 -0.005 0.000 0.308 75 V C -0.414 175.886 176.094 0.343 0.000 1.062 75 V CA -0.566 61.826 62.300 0.153 0.000 0.901 75 V CB 1.602 33.489 31.823 0.107 0.000 1.003 75 V HN 0.823 9.013 8.190 -0.000 0.000 0.425 76 A N 3.980 127.077 122.820 0.462 0.000 2.374 76 A HA 0.912 5.229 4.320 -0.005 0.000 0.305 76 A C -1.155 176.719 177.584 0.483 0.000 1.053 76 A CA -0.564 51.782 52.037 0.514 0.000 0.726 76 A CB 1.847 21.184 19.000 0.562 0.000 1.229 76 A HN 0.740 8.890 8.150 -0.000 0.000 0.431 77 V N 3.062 123.207 119.914 0.385 0.000 2.448 77 V HA 0.307 4.424 4.120 -0.005 0.000 0.295 77 V C 0.142 176.166 176.094 -0.116 0.000 1.025 77 V CA -0.610 61.778 62.300 0.148 0.000 0.859 77 V CB 1.573 33.422 31.823 0.043 0.000 0.988 77 V HN 0.959 9.149 8.190 -0.000 0.000 0.431 78 H N 4.123 122.753 119.070 -0.734 0.000 3.089 78 H HA 0.188 4.741 4.556 -0.005 0.000 0.262 78 H C 0.780 175.750 175.328 -0.596 0.000 1.160 78 H CA -0.152 55.106 56.048 -1.316 0.000 1.482 78 H CB 1.484 30.276 29.762 -1.616 0.000 1.511 78 H HN 0.542 8.822 8.280 -0.000 0.000 0.483 79 V N 5.312 124.785 119.914 -0.735 0.000 2.282 79 V HA -0.342 3.775 4.120 -0.005 0.000 0.249 79 V C 2.673 178.497 176.094 -0.450 0.000 1.057 79 V CA 2.197 64.235 62.300 -0.438 0.000 1.032 79 V CB -1.014 30.636 31.823 -0.288 0.000 0.645 79 V HN 0.863 9.053 8.190 -0.000 0.000 0.447 80 A N -0.001 122.410 122.820 -0.682 0.000 2.019 80 A HA -0.157 4.160 4.320 -0.005 0.000 0.219 80 A C 2.374 179.822 177.584 -0.226 0.000 1.164 80 A CA 2.297 54.090 52.037 -0.407 0.000 0.644 80 A CB -0.358 18.416 19.000 -0.376 0.000 0.805 80 A HN 0.729 8.879 8.150 -0.000 0.000 0.449 81 S N -3.869 111.720 115.700 -0.185 0.000 2.554 81 S HA 0.423 4.890 4.470 -0.005 0.000 0.227 81 S C 1.386 175.966 174.600 -0.032 0.000 1.050 81 S CA 1.161 59.349 58.200 -0.019 0.000 0.927 81 S CB 0.117 63.370 63.200 0.088 0.000 0.859 81 S HN 1.902 10.212 8.310 -0.000 0.000 0.494 82 G N 1.193 109.940 108.800 -0.088 0.000 2.143 82 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.249 82 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.249 82 G C -0.128 174.726 174.900 -0.077 0.000 0.981 82 G CA 0.105 45.142 45.100 -0.105 0.000 0.665 82 G HN 0.680 8.970 8.290 -0.000 0.000 0.528 83 F N 1.959 121.791 119.950 -0.198 0.000 2.538 83 F HA 0.575 5.099 4.527 -0.005 0.000 0.371 83 F C 0.864 176.594 175.800 -0.116 0.000 1.087 83 F CA -0.089 57.788 58.000 -0.205 0.000 1.250 83 F CB 0.354 39.151 39.000 -0.338 0.000 1.110 83 F HN 0.379 8.679 8.300 -0.000 0.000 0.570 84 I N 2.952 123.206 120.570 -0.527 0.000 2.740 84 I HA 0.601 4.768 4.170 -0.005 0.000 0.303 84 I C -1.381 174.656 176.117 -0.133 0.000 1.044 84 I CA -0.776 60.430 61.300 -0.156 0.000 1.064 84 I CB 2.286 40.243 38.000 -0.070 0.000 1.249 84 I HN 0.417 8.627 8.210 -0.000 0.000 0.433 85 E N 3.716 124.058 120.200 0.238 0.000 2.248 85 E HA 0.763 5.110 4.350 -0.005 0.000 0.267 85 E C -1.235 175.608 176.600 0.405 0.000 0.877 85 E CA -0.953 55.654 56.400 0.345 0.000 0.759 85 E CB 2.461 32.440 29.700 0.464 0.000 1.182 85 E HN 0.895 9.255 8.360 -0.000 0.000 0.418 86 A N 2.538 125.545 122.820 0.312 0.000 2.572 86 A HA 0.710 5.027 4.320 -0.005 0.000 0.295 86 A C -1.136 176.512 177.584 0.106 0.000 1.072 86 A CA -0.591 51.549 52.037 0.171 0.000 0.691 86 A CB 2.256 21.305 19.000 0.081 0.000 1.291 86 A HN 0.606 8.756 8.150 -0.000 0.000 0.404 87 E N 0.448 120.604 120.200 -0.074 0.000 2.380 87 E HA 0.488 4.835 4.350 -0.005 0.000 0.281 87 E C -1.841 174.677 176.600 -0.136 0.000 0.999 87 E CA -0.607 55.754 56.400 -0.065 0.000 0.800 87 E CB 2.090 31.774 29.700 -0.027 0.000 1.228 87 E HN 0.524 8.884 8.360 -0.000 0.000 0.436 88 V N 4.737 124.609 119.914 -0.069 0.000 2.461 88 V HA 0.319 4.436 4.120 -0.005 0.000 0.275 88 V C 0.375 176.424 176.094 -0.076 0.000 1.047 88 V CA -0.182 62.074 62.300 -0.073 0.000 0.955 88 V CB 0.463 32.265 31.823 -0.034 0.000 0.988 88 V HN 0.460 8.650 8.190 -0.000 0.000 0.471 89 I N 4.000 124.513 120.570 -0.096 0.000 2.493 89 I HA 0.546 4.713 4.170 -0.005 0.000 0.298 89 I C -1.527 174.561 176.117 -0.047 0.000 0.998 89 I CA -2.302 58.953 61.300 -0.075 0.000 1.137 89 I CB 1.978 39.915 38.000 -0.105 0.000 1.310 89 I HN 0.328 8.538 8.210 -0.000 0.000 0.445 90 P HA -0.115 4.305 4.420 -0.000 0.000 0.214 90 P C -0.090 177.200 177.300 -0.016 0.000 1.163 90 P CA 1.605 64.695 63.100 -0.017 0.000 0.883 90 P CB 0.160 31.853 31.700 -0.012 0.000 0.788 91 Q N -1.496 118.290 119.800 -0.024 0.000 2.413 91 Q HA 0.354 4.691 4.340 -0.005 0.000 0.276 91 Q C -0.260 175.714 176.000 -0.043 0.000 1.099 91 Q CA -0.529 55.260 55.803 -0.023 0.000 0.814 91 Q CB 1.300 30.026 28.738 -0.020 0.000 1.379 91 Q HN -0.045 8.225 8.270 -0.000 0.000 0.436 92 E N 0.899 121.076 120.200 -0.038 0.000 2.705 92 E HA 0.078 4.425 4.350 -0.005 0.000 0.272 92 E C -0.681 175.857 176.600 -0.104 0.000 1.528 92 E CA -0.246 56.108 56.400 -0.076 0.000 1.750 92 E CB -0.068 29.615 29.700 -0.027 0.000 1.439 92 E HN 0.565 8.925 8.360 -0.000 0.000 0.449 93 S N -1.802 113.847 115.700 -0.086 0.000 2.632 93 S HA 0.340 4.807 4.470 -0.005 0.000 0.271 93 S C 1.425 175.969 174.600 -0.094 0.000 1.260 93 S CA -0.434 57.721 58.200 -0.076 0.000 1.010 93 S CB 1.704 64.877 63.200 -0.045 0.000 0.965 93 S HN 0.216 8.526 8.310 -0.000 0.000 0.534 94 G N 1.046 109.801 108.800 -0.076 0.000 2.440 94 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.218 94 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.218 94 G C 1.430 176.319 174.900 -0.019 0.000 1.154 94 G CA 0.930 45.997 45.100 -0.056 0.000 0.767 94 G HN 0.853 9.143 8.290 -0.000 0.000 0.552 95 R N -0.465 120.027 120.500 -0.014 0.000 2.070 95 R HA -0.093 4.244 4.340 -0.005 0.000 0.233 95 R C 2.641 178.950 176.300 0.015 0.000 1.137 95 R CA 1.569 57.671 56.100 0.003 0.000 0.945 95 R CB -0.341 29.957 30.300 -0.004 0.000 0.845 95 R HN 0.193 8.463 8.270 -0.000 0.000 0.430 96 Q N 0.092 119.892 119.800 -0.000 0.000 2.112 96 Q HA -0.165 4.171 4.340 -0.005 0.000 0.206 96 Q C 2.108 178.141 176.000 0.055 0.000 0.987 96 Q CA 2.436 58.246 55.803 0.012 0.000 0.858 96 Q CB -0.645 28.078 28.738 -0.025 0.000 0.905 96 Q HN 0.457 8.727 8.270 -0.000 0.000 0.420 97 T N 1.119 115.691 114.554 0.030 0.000 2.674 97 T HA -0.122 4.225 4.350 -0.005 0.000 0.265 97 T C 1.848 176.658 174.700 0.184 0.000 1.039 97 T CA 1.639 63.803 62.100 0.107 0.000 1.150 97 T CB -0.401 68.460 68.868 -0.012 0.000 0.864 97 T HN 0.446 8.686 8.240 -0.000 0.000 0.427 98 A N 1.675 124.565 122.820 0.116 0.000 1.917 98 A HA -0.080 4.237 4.320 -0.005 0.000 0.219 98 A C 2.225 179.866 177.584 0.095 0.000 1.182 98 A CA 1.249 53.351 52.037 0.107 0.000 0.633 98 A CB -0.830 18.213 19.000 0.072 0.000 0.819 98 A HN 0.320 8.470 8.150 -0.000 0.000 0.448 99 L N -1.840 119.438 121.223 0.092 0.000 2.017 99 L HA -0.131 4.205 4.340 -0.005 0.000 0.208 99 L C 2.354 179.302 176.870 0.129 0.000 1.073 99 L CA 1.895 56.785 54.840 0.083 0.000 0.745 99 L CB -1.734 40.371 42.059 0.076 0.000 0.894 99 L HN 0.517 8.747 8.230 -0.000 0.000 0.432 100 F N -0.017 119.951 119.950 0.029 0.000 2.095 100 F HA -0.248 4.276 4.527 -0.005 0.000 0.298 100 F C 2.504 178.328 175.800 0.039 0.000 1.104 100 F CA 1.329 59.354 58.000 0.043 0.000 1.232 100 F CB -0.415 38.624 39.000 0.066 0.000 0.987 100 F HN -0.034 8.266 8.300 -0.000 0.000 0.475 101 L N -0.322 120.915 121.223 0.023 0.000 2.012 101 L HA -0.269 4.068 4.340 -0.005 0.000 0.210 101 L C 2.482 179.278 176.870 -0.124 0.000 1.073 101 L CA 1.675 56.465 54.840 -0.084 0.000 0.748 101 L CB -0.604 41.490 42.059 0.058 0.000 0.891 101 L HN 0.257 8.487 8.230 -0.000 0.000 0.431 102 L N -0.396 120.800 121.223 -0.046 0.000 2.083 102 L HA -0.276 4.060 4.340 -0.005 0.000 0.209 102 L C 2.690 179.508 176.870 -0.087 0.000 1.083 102 L CA 1.404 56.221 54.840 -0.040 0.000 0.752 102 L CB -0.364 41.678 42.059 -0.027 0.000 0.899 102 L HN 0.274 8.504 8.230 -0.000 0.000 0.433 103 K N -0.385 119.944 120.400 -0.118 0.000 2.002 103 K HA -0.222 4.095 4.320 -0.005 0.000 0.209 103 K C 2.040 178.509 176.600 -0.217 0.000 1.048 103 K CA 1.202 57.406 56.287 -0.138 0.000 0.930 103 K CB -0.377 32.062 32.500 -0.102 0.000 0.714 103 K HN 0.066 8.316 8.250 -0.000 0.000 0.438 104 L N 1.253 122.271 121.223 -0.342 0.000 1.990 104 L HA -0.211 4.126 4.340 -0.005 0.000 0.213 104 L C 2.292 178.994 176.870 -0.280 0.000 1.072 104 L CA 1.951 56.572 54.840 -0.365 0.000 0.755 104 L CB -0.663 41.048 42.059 -0.581 0.000 0.889 104 L HN 0.194 8.424 8.230 -0.000 0.000 0.432 105 A N -1.695 120.991 122.820 -0.224 0.000 2.121 105 A HA -0.140 4.177 4.320 -0.005 0.000 0.218 105 A C 2.328 179.847 177.584 -0.109 0.000 1.154 105 A CA 1.422 53.378 52.037 -0.136 0.000 0.679 105 A CB -0.800 18.166 19.000 -0.056 0.000 0.795 105 A HN 0.605 8.755 8.150 -0.000 0.000 0.458 106 S N -1.290 114.326 115.700 -0.140 0.000 2.562 106 S HA 0.080 4.547 4.470 -0.005 0.000 0.221 106 S C 1.625 176.084 174.600 -0.235 0.000 0.975 106 S CA 0.568 58.689 58.200 -0.131 0.000 0.918 106 S CB -0.051 63.087 63.200 -0.102 0.000 0.772 106 S HN 0.648 8.958 8.310 -0.000 0.000 0.531 107 R N -1.178 119.087 120.500 -0.392 0.000 2.243 107 R HA 0.331 4.668 4.340 -0.005 0.000 0.193 107 R C -0.503 175.374 176.300 -0.705 0.000 0.933 107 R CA 0.100 55.765 56.100 -0.725 0.000 1.105 107 R CB 0.295 29.846 30.300 -1.249 0.000 1.169 107 R HN 0.405 8.675 8.270 -0.000 0.000 0.599 108 W N 2.784 124.020 121.300 -0.107 0.000 2.706 108 W HA 0.426 5.083 4.660 -0.004 0.000 0.346 108 W C -2.194 174.303 176.519 -0.036 0.000 1.071 108 W CA -2.623 54.689 57.345 -0.054 0.000 1.206 108 W CB 0.683 30.142 29.460 -0.001 0.000 1.413 108 W HN -0.185 7.995 8.180 -0.000 0.000 0.542 109 P HA 0.194 4.614 4.420 -0.000 0.000 0.271 109 P C -0.628 176.842 177.300 0.284 0.000 1.226 109 P CA 0.486 63.710 63.100 0.206 0.000 0.765 109 P CB 0.950 32.757 31.700 0.179 0.000 0.835 110 I N 2.596 123.262 120.570 0.161 0.000 2.439 110 I HA 0.178 4.344 4.170 -0.005 0.000 0.285 110 I C 0.988 177.191 176.117 0.143 0.000 1.021 110 I CA -0.422 60.989 61.300 0.185 0.000 1.091 110 I CB 2.075 40.079 38.000 0.006 0.000 1.242 110 I HN 0.205 8.415 8.210 -0.000 0.000 0.439 111 T N 2.292 116.966 114.554 0.199 0.000 3.046 111 T HA 0.018 4.365 4.350 -0.005 0.000 0.242 111 T C -0.019 174.788 174.700 0.178 0.000 1.018 111 T CA 0.908 63.096 62.100 0.147 0.000 1.131 111 T CB 0.008 68.959 68.868 0.138 0.000 0.904 111 T HN 0.589 8.829 8.240 -0.000 0.000 0.459 112 H N 0.139 119.273 119.070 0.107 0.000 2.782 112 H HA 0.627 5.180 4.556 -0.006 0.000 0.347 112 H C -1.609 173.788 175.328 0.116 0.000 1.038 112 H CA -0.789 55.303 56.048 0.074 0.000 1.255 112 H CB 0.877 30.663 29.762 0.040 0.000 1.623 112 H HN 0.048 8.328 8.280 -0.000 0.000 0.525 113 L N 5.650 126.647 121.223 -0.378 0.000 2.343 113 L HA 0.371 4.708 4.340 -0.005 0.000 0.278 113 L C -1.311 175.317 176.870 -0.403 0.000 0.996 113 L CA -0.749 53.960 54.840 -0.217 0.000 0.831 113 L CB 0.850 42.840 42.059 -0.116 0.000 1.232 113 L HN 0.844 9.074 8.230 -0.000 0.000 0.413 114 H N 2.669 121.562 119.070 -0.296 0.000 2.505 114 H HA 0.610 5.163 4.556 -0.006 0.000 0.338 114 H C -0.431 174.790 175.328 -0.178 0.000 1.057 114 H CA -0.040 55.843 56.048 -0.275 0.000 1.202 114 H CB 1.534 31.253 29.762 -0.072 0.000 1.466 114 H HN 0.686 8.966 8.280 -0.000 0.000 0.499 115 T N 0.907 115.125 114.554 -0.560 0.000 2.838 115 T HA 0.376 4.722 4.350 -0.005 0.000 0.292 115 T C -0.200 174.350 174.700 -0.251 0.000 1.113 115 T CA -0.991 60.847 62.100 -0.436 0.000 1.008 115 T CB 1.469 69.873 68.868 -0.773 0.000 1.259 115 T HN 0.539 8.779 8.240 -0.000 0.000 0.520 116 D N 0.213 120.569 120.400 -0.073 0.000 2.376 116 D HA 0.189 4.826 4.640 -0.005 0.000 0.268 116 D C 0.337 176.760 176.300 0.206 0.000 1.252 116 D CA -0.579 53.492 54.000 0.119 0.000 1.041 116 D CB -0.172 40.732 40.800 0.172 0.000 1.109 116 D HN 0.612 8.982 8.370 -0.000 0.000 0.552 117 N N -1.892 116.923 118.700 0.192 0.000 2.268 117 N HA 0.241 4.977 4.740 -0.005 0.000 0.204 117 N C 0.309 175.899 175.510 0.133 0.000 1.124 117 N CA -0.068 53.062 53.050 0.133 0.000 0.838 117 N CB 0.508 39.034 38.487 0.066 0.000 0.994 117 N HN 0.536 8.916 8.380 -0.000 0.000 0.489 118 G N 0.345 109.303 108.800 0.265 0.000 2.187 118 G HA2 0.097 4.054 3.960 -0.005 0.000 0.239 118 G HA3 0.097 4.054 3.960 -0.005 0.000 0.239 118 G C 1.202 176.144 174.900 0.069 0.000 1.200 118 G CA 0.166 45.381 45.100 0.192 0.000 0.888 118 G HN 0.266 8.556 8.290 -0.000 0.000 0.482 119 A N 3.094 125.908 122.820 -0.010 0.000 1.940 119 A HA -0.265 4.052 4.320 -0.005 0.000 0.221 119 A C 2.416 179.952 177.584 -0.080 0.000 1.190 119 A CA 2.221 54.228 52.037 -0.050 0.000 0.647 119 A CB -0.448 18.523 19.000 -0.048 0.000 0.821 119 A HN 0.878 9.028 8.150 -0.000 0.000 0.457 120 N N -0.817 117.785 118.700 -0.164 0.000 2.223 120 N HA -0.147 4.590 4.740 -0.005 0.000 0.185 120 N C 1.360 176.759 175.510 -0.185 0.000 1.016 120 N CA 1.804 54.709 53.050 -0.241 0.000 0.863 120 N CB -0.765 37.472 38.487 -0.417 0.000 0.983 120 N HN 0.438 8.818 8.380 -0.000 0.000 0.429 121 F N 1.640 121.635 119.950 0.076 0.000 2.293 121 F HA 0.061 4.585 4.527 -0.006 0.000 0.297 121 F C 2.510 178.416 175.800 0.176 0.000 1.089 121 F CA 1.382 59.481 58.000 0.165 0.000 1.377 121 F CB -0.943 38.191 39.000 0.224 0.000 1.051 121 F HN 0.181 8.481 8.300 -0.000 0.000 0.511 122 T N -2.455 112.145 114.554 0.078 0.000 3.129 122 T HA 0.083 4.430 4.350 -0.005 0.000 0.251 122 T C 1.014 175.658 174.700 -0.094 0.000 1.117 122 T CA 0.243 62.173 62.100 -0.282 0.000 1.034 122 T CB -0.903 67.657 68.868 -0.512 0.000 0.968 122 T HN 0.161 8.401 8.240 -0.000 0.000 0.526 123 S N 0.748 116.447 115.700 -0.002 0.000 2.587 123 S HA 0.076 4.543 4.470 -0.005 0.000 0.260 123 S C 1.315 175.935 174.600 0.034 0.000 1.353 123 S CA -0.242 57.958 58.200 -0.000 0.000 0.995 123 S CB 0.956 64.154 63.200 -0.004 0.000 0.912 123 S HN 0.271 8.581 8.310 -0.000 0.000 0.568 124 Q N 0.700 120.512 119.800 0.020 0.000 2.049 124 Q HA -0.038 4.299 4.340 -0.005 0.000 0.198 124 Q C 1.846 177.878 176.000 0.053 0.000 0.971 124 Q CA 2.109 57.930 55.803 0.030 0.000 0.833 124 Q CB -0.627 28.116 28.738 0.007 0.000 0.896 124 Q HN 0.888 9.158 8.270 -0.000 0.000 0.434 125 E N -0.738 119.488 120.200 0.043 0.000 2.097 125 E HA -0.171 4.176 4.350 -0.005 0.000 0.196 125 E C 1.947 178.601 176.600 0.090 0.000 1.000 125 E CA 1.642 58.073 56.400 0.052 0.000 0.804 125 E CB -0.301 29.419 29.700 0.033 0.000 0.740 125 E HN 0.191 8.551 8.360 -0.000 0.000 0.454 126 V N 0.983 120.963 119.914 0.110 0.000 2.307 126 V HA -0.248 3.868 4.120 -0.005 0.000 0.245 126 V C 2.054 178.260 176.094 0.187 0.000 1.045 126 V CA 1.694 64.089 62.300 0.160 0.000 1.024 126 V CB -0.398 31.548 31.823 0.206 0.000 0.651 126 V HN 0.208 8.398 8.190 -0.000 0.000 0.449 127 K N -0.812 119.700 120.400 0.186 0.000 2.074 127 K HA -0.221 4.096 4.320 -0.005 0.000 0.209 127 K C 2.237 178.977 176.600 0.234 0.000 1.048 127 K CA 1.544 57.954 56.287 0.204 0.000 0.926 127 K CB -0.278 32.319 32.500 0.161 0.000 0.713 127 K HN 0.276 8.526 8.250 -0.000 0.000 0.444 128 M N 0.460 120.180 119.600 0.200 0.000 2.065 128 M HA -0.152 4.325 4.480 -0.005 0.000 0.259 128 M C 2.366 178.888 176.300 0.370 0.000 1.069 128 M CA 1.411 56.867 55.300 0.260 0.000 1.110 128 M CB -0.948 31.744 32.600 0.154 0.000 1.328 128 M HN -0.061 8.229 8.290 -0.000 0.000 0.405 129 V N 0.503 120.569 119.914 0.252 0.000 2.287 129 V HA -0.281 3.835 4.120 -0.005 0.000 0.248 129 V C 2.687 178.942 176.094 0.268 0.000 1.053 129 V CA 1.954 64.401 62.300 0.244 0.000 1.027 129 V CB -1.458 30.456 31.823 0.151 0.000 0.646 129 V HN 0.520 8.710 8.190 -0.000 0.000 0.447 130 A N -0.831 122.124 122.820 0.226 0.000 1.883 130 A HA -0.316 4.001 4.320 -0.005 0.000 0.217 130 A C 1.972 179.673 177.584 0.196 0.000 1.186 130 A CA 2.280 54.423 52.037 0.177 0.000 0.624 130 A CB -1.011 18.086 19.000 0.161 0.000 0.822 130 A HN 0.779 8.929 8.150 -0.000 0.000 0.444 131 W N -0.994 120.379 121.300 0.121 0.000 2.355 131 W HA -0.167 4.489 4.660 -0.006 0.000 0.309 131 W C 2.020 178.615 176.519 0.127 0.000 1.206 131 W CA 1.768 59.178 57.345 0.109 0.000 1.284 131 W CB -0.592 28.935 29.460 0.112 0.000 1.145 131 W HN 0.464 8.644 8.180 -0.000 0.000 0.502 132 W N 0.710 121.943 121.300 -0.111 0.000 2.355 132 W HA -0.158 4.499 4.660 -0.006 0.000 0.309 132 W C 1.997 178.292 176.519 -0.373 0.000 1.206 132 W CA 2.393 59.486 57.345 -0.422 0.000 1.284 132 W CB -0.662 28.782 29.460 -0.026 0.000 1.145 132 W HN -0.165 8.015 8.180 -0.000 0.000 0.502 133 I N 0.731 121.267 120.570 -0.057 0.000 2.761 133 I HA 0.122 4.289 4.170 -0.005 0.000 0.261 133 I C 1.586 177.550 176.117 -0.255 0.000 1.198 133 I CA 1.489 62.677 61.300 -0.187 0.000 1.482 133 I CB -0.734 37.284 38.000 0.031 0.000 1.100 133 I HN 0.203 8.413 8.210 -0.000 0.000 0.445 134 G N 1.707 110.365 108.800 -0.236 0.000 2.452 134 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.275 134 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.275 134 G C -0.152 174.705 174.900 -0.072 0.000 1.131 134 G CA -0.348 44.636 45.100 -0.193 0.000 1.031 134 G HN 0.261 8.551 8.290 -0.000 0.000 0.511 135 I N -0.046 120.513 120.570 -0.017 0.000 2.433 135 I HA 0.357 4.524 4.170 -0.005 0.000 0.292 135 I C 0.552 176.679 176.117 0.017 0.000 1.001 135 I CA -0.883 60.424 61.300 0.011 0.000 1.119 135 I CB 1.944 39.952 38.000 0.014 0.000 1.289 135 I HN 0.305 8.515 8.210 -0.000 0.000 0.438 136 E N 6.568 126.781 120.200 0.022 0.000 2.257 136 E HA 0.128 4.475 4.350 -0.005 0.000 0.278 136 E C -0.840 175.671 176.600 -0.148 0.000 1.049 136 E CA -0.328 56.075 56.400 0.006 0.000 0.876 136 E CB 0.733 30.495 29.700 0.104 0.000 1.035 136 E HN 0.501 8.861 8.360 -0.000 0.000 0.419 137 Q N 2.155 121.848 119.800 -0.178 0.000 2.235 137 Q HA 0.362 4.699 4.340 -0.005 0.000 0.250 137 Q C -1.011 174.660 176.000 -0.548 0.000 0.909 137 Q CA -0.462 55.084 55.803 -0.428 0.000 0.910 137 Q CB 1.998 30.500 28.738 -0.393 0.000 1.223 137 Q HN 0.368 8.638 8.270 -0.000 0.000 0.432 138 S N 1.707 116.949 115.700 -0.763 0.000 2.571 138 S HA 0.592 5.059 4.470 -0.005 0.000 0.284 138 S C -1.413 172.568 174.600 -1.031 0.000 1.128 138 S CA -0.637 57.235 58.200 -0.547 0.000 0.970 138 S CB 0.644 63.933 63.200 0.148 0.000 1.039 138 S HN 0.362 8.672 8.310 -0.000 0.000 0.485 139 F N 1.846 121.612 119.950 -0.307 0.000 2.467 139 F HA 0.670 5.193 4.527 -0.006 0.000 0.336 139 F C 1.180 176.788 175.800 -0.319 0.000 1.123 139 F CA -0.046 57.739 58.000 -0.359 0.000 0.964 139 F CB 1.137 40.055 39.000 -0.136 0.000 1.136 139 F HN 0.896 9.196 8.300 -0.000 0.000 0.447 140 G N 1.242 109.919 108.800 -0.204 0.000 2.582 140 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.288 140 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.288 140 G C -0.310 174.544 174.900 -0.078 0.000 1.247 140 G CA -0.369 44.737 45.100 0.010 0.000 0.972 140 G HN 1.132 9.422 8.290 -0.000 0.000 0.557 141 V N 0.176 120.187 119.914 0.163 0.000 2.843 141 V HA 0.535 4.652 4.120 -0.005 0.000 0.305 141 V C -1.065 175.071 176.094 0.070 0.000 1.065 141 V CA -0.540 61.858 62.300 0.163 0.000 1.116 141 V CB 0.643 32.579 31.823 0.188 0.000 0.968 141 V HN 0.920 9.110 8.190 -0.000 0.000 0.487 142 P HA 0.487 4.907 4.420 -0.000 0.000 0.290 142 P C -1.547 175.723 177.300 -0.050 0.000 1.275 142 P CA -0.496 62.650 63.100 0.076 0.000 0.841 142 P CB 0.835 32.568 31.700 0.055 0.000 1.042 143 Y N 0.088 120.376 120.300 -0.020 0.000 2.376 143 Y HA 0.247 4.795 4.550 -0.002 0.000 0.325 143 Y C 1.402 177.216 175.900 -0.142 0.000 1.199 143 Y CA -0.462 57.528 58.100 -0.183 0.000 1.206 143 Y CB 0.505 38.895 38.460 -0.117 0.000 1.229 143 Y HN 0.281 8.561 8.280 -0.000 0.000 0.480 144 N N 2.985 121.654 118.700 -0.051 0.000 2.329 144 N HA 0.034 4.771 4.740 -0.005 0.000 0.237 144 N C -2.533 172.970 175.510 -0.012 0.000 1.258 144 N CA -0.880 52.137 53.050 -0.055 0.000 0.866 144 N CB 0.051 38.469 38.487 -0.115 0.000 1.102 144 N HN 0.303 8.683 8.380 -0.000 0.000 0.440 145 P HA 0.123 4.543 4.420 -0.000 0.000 0.272 145 P C 0.126 177.405 177.300 -0.034 0.000 1.223 145 P CA 0.502 63.590 63.100 -0.020 0.000 0.784 145 P CB 0.144 31.830 31.700 -0.023 0.000 0.923 146 Q N -0.081 119.698 119.800 -0.035 0.000 2.450 146 Q HA -0.254 4.083 4.340 -0.005 0.000 0.255 146 Q C 0.637 176.606 176.000 -0.052 0.000 1.003 146 Q CA 1.931 57.708 55.803 -0.044 0.000 1.097 146 Q CB -3.340 25.373 28.738 -0.041 0.000 1.544 146 Q HN 0.715 8.985 8.270 -0.000 0.000 0.531 147 S N -2.830 112.840 115.700 -0.050 0.000 2.820 147 S HA 0.344 4.810 4.470 -0.005 0.000 0.265 147 S C 0.370 174.943 174.600 -0.045 0.000 1.043 147 S CA 0.706 58.878 58.200 -0.047 0.000 1.245 147 S CB 0.399 63.569 63.200 -0.050 0.000 1.187 147 S HN 1.368 9.678 8.310 -0.000 0.000 0.673 148 Q N 2.067 121.804 119.800 -0.104 0.000 2.289 148 Q HA 0.486 4.822 4.340 -0.005 0.000 0.273 148 Q C 1.057 176.870 176.000 -0.310 0.000 1.029 148 Q CA 1.515 57.114 55.803 -0.341 0.000 0.896 148 Q CB -0.043 28.514 28.738 -0.301 0.000 1.182 148 Q HN 0.985 9.255 8.270 -0.000 0.000 0.385 149 G N 2.633 111.192 108.800 -0.402 0.000 2.176 149 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.252 149 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.252 149 G C 0.442 175.292 174.900 -0.084 0.000 1.024 149 G CA 0.186 45.158 45.100 -0.213 0.000 0.755 149 G HN 0.585 8.875 8.290 -0.000 0.000 0.507 150 V N -0.034 119.851 119.914 -0.048 0.000 2.307 150 V HA -0.227 3.890 4.120 -0.005 0.000 0.245 150 V C 2.948 179.058 176.094 0.027 0.000 1.045 150 V CA 2.286 64.580 62.300 -0.010 0.000 1.024 150 V CB -0.654 31.157 31.823 -0.021 0.000 0.651 150 V HN 0.470 8.660 8.190 -0.000 0.000 0.449 151 V N 0.023 119.964 119.914 0.046 0.000 2.255 151 V HA -0.304 3.813 4.120 -0.005 0.000 0.247 151 V C 2.417 178.550 176.094 0.065 0.000 1.051 151 V CA 2.236 64.579 62.300 0.071 0.000 1.018 151 V CB -1.064 30.811 31.823 0.087 0.000 0.641 151 V HN 0.493 8.683 8.190 -0.000 0.000 0.445 152 E N 0.985 121.210 120.200 0.043 0.000 2.097 152 E HA -0.208 4.139 4.350 -0.005 0.000 0.196 152 E C 2.290 178.912 176.600 0.036 0.000 1.000 152 E CA 1.780 58.200 56.400 0.034 0.000 0.804 152 E CB -0.749 28.953 29.700 0.004 0.000 0.740 152 E HN 0.614 8.974 8.360 -0.000 0.000 0.454 153 A N 0.656 123.497 122.820 0.035 0.000 1.883 153 A HA -0.224 4.093 4.320 -0.005 0.000 0.217 153 A C 2.125 179.809 177.584 0.166 0.000 1.186 153 A CA 1.776 53.852 52.037 0.064 0.000 0.624 153 A CB -0.417 18.643 19.000 0.102 0.000 0.822 153 A HN 0.142 8.292 8.150 -0.000 0.000 0.444 154 M N -0.018 119.688 119.600 0.177 0.000 2.159 154 M HA -0.139 4.338 4.480 -0.005 0.000 0.263 154 M C 1.717 178.086 176.300 0.115 0.000 1.063 154 M CA 1.230 56.637 55.300 0.178 0.000 1.110 154 M CB -1.625 31.033 32.600 0.097 0.000 1.374 154 M HN 0.420 8.710 8.290 -0.000 0.000 0.411 155 N N 0.220 118.971 118.700 0.085 0.000 2.037 155 N HA -0.234 4.503 4.740 -0.005 0.000 0.196 155 N C 1.605 177.140 175.510 0.041 0.000 1.034 155 N CA 1.895 54.981 53.050 0.059 0.000 0.861 155 N CB -0.891 37.632 38.487 0.060 0.000 1.039 155 N HN 0.545 8.925 8.380 -0.000 0.000 0.427 156 H N 0.459 119.487 119.070 -0.070 0.000 2.267 156 H HA -0.080 4.475 4.556 -0.001 0.000 0.297 156 H C 1.942 177.180 175.328 -0.149 0.000 1.080 156 H CA 2.006 57.965 56.048 -0.148 0.000 1.278 156 H CB -0.324 29.279 29.762 -0.264 0.000 1.365 156 H HN 0.349 8.629 8.280 -0.000 0.000 0.489 157 H N -0.518 118.486 119.070 -0.110 0.000 2.352 157 H HA -0.125 4.429 4.556 -0.004 0.000 0.299 157 H C 2.425 177.663 175.328 -0.151 0.000 1.097 157 H CA 1.387 57.335 56.048 -0.167 0.000 1.311 157 H CB -0.436 29.295 29.762 -0.051 0.000 1.377 157 H HN 0.369 8.649 8.280 -0.000 0.000 0.504 158 L N 1.529 122.764 121.223 0.020 0.000 2.046 158 L HA -0.139 4.198 4.340 -0.005 0.000 0.208 158 L C 2.167 179.009 176.870 -0.048 0.000 1.077 158 L CA 1.697 56.532 54.840 -0.008 0.000 0.747 158 L CB -0.356 41.709 42.059 0.009 0.000 0.896 158 L HN -0.031 8.199 8.230 -0.000 0.000 0.432 159 K N -0.684 119.667 120.400 -0.082 0.000 2.057 159 K HA -0.151 4.166 4.320 -0.005 0.000 0.207 159 K C 1.963 178.488 176.600 -0.126 0.000 1.049 159 K CA 1.338 57.570 56.287 -0.091 0.000 0.931 159 K CB -0.226 32.223 32.500 -0.085 0.000 0.714 159 K HN 0.317 8.567 8.250 -0.000 0.000 0.440 160 N N 0.940 119.513 118.700 -0.211 0.000 2.104 160 N HA -0.202 4.535 4.740 -0.005 0.000 0.190 160 N C 1.807 177.248 175.510 -0.115 0.000 1.024 160 N CA 1.265 54.202 53.050 -0.187 0.000 0.853 160 N CB -0.205 38.134 38.487 -0.245 0.000 1.008 160 N HN 0.138 8.518 8.380 -0.000 0.000 0.424 161 Q N 0.855 120.604 119.800 -0.084 0.000 2.046 161 Q HA 0.078 4.415 4.340 -0.005 0.000 0.200 161 Q C 2.012 177.975 176.000 -0.063 0.000 0.975 161 Q CA 1.171 56.936 55.803 -0.063 0.000 0.836 161 Q CB -0.434 28.289 28.738 -0.025 0.000 0.896 161 Q HN 0.432 8.702 8.270 -0.000 0.000 0.428 162 I N -0.066 120.476 120.570 -0.046 0.000 2.248 162 I HA -0.307 3.860 4.170 -0.005 0.000 0.248 162 I C 2.419 178.507 176.117 -0.049 0.000 1.107 162 I CA 1.433 62.714 61.300 -0.032 0.000 1.373 162 I CB -0.526 37.460 38.000 -0.022 0.000 1.055 162 I HN 0.250 8.460 8.210 -0.000 0.000 0.418 163 S N 0.835 116.493 115.700 -0.069 0.000 2.368 163 S HA -0.170 4.297 4.470 -0.005 0.000 0.225 163 S C 2.172 176.708 174.600 -0.106 0.000 1.030 163 S CA 1.229 59.386 58.200 -0.072 0.000 0.999 163 S CB -0.157 62.999 63.200 -0.073 0.000 0.844 163 S HN 0.338 8.648 8.310 -0.000 0.000 0.459 164 R N 0.765 121.157 120.500 -0.179 0.000 2.127 164 R HA -0.004 4.332 4.340 -0.005 0.000 0.238 164 R C 1.980 178.086 176.300 -0.323 0.000 1.134 164 R CA 1.678 57.557 56.100 -0.369 0.000 0.975 164 R CB -0.465 29.471 30.300 -0.607 0.000 0.865 164 R HN 0.705 8.975 8.270 -0.000 0.000 0.447 165 I N -2.386 118.098 120.570 -0.144 0.000 3.936 165 I HA 0.236 4.403 4.170 -0.005 0.000 0.330 165 I C 1.509 177.627 176.117 0.001 0.000 1.509 165 I CA -0.363 60.929 61.300 -0.015 0.000 1.126 165 I CB 0.422 38.450 38.000 0.046 0.000 1.115 165 I HN -0.191 8.019 8.210 -0.000 0.000 0.424 166 R N 3.484 123.972 120.500 -0.019 0.000 2.094 166 R HA -0.206 4.130 4.340 -0.005 0.000 0.239 166 R C 1.517 177.820 176.300 0.005 0.000 1.137 166 R CA 2.540 58.635 56.100 -0.008 0.000 0.943 166 R CB -0.553 29.739 30.300 -0.014 0.000 0.850 166 R HN 0.811 9.081 8.270 -0.000 0.000 0.433 167 E N 0.034 120.240 120.200 0.009 0.000 2.320 167 E HA -0.002 4.345 4.350 -0.005 0.000 0.189 167 E C 0.799 177.407 176.600 0.013 0.000 1.100 167 E CA 0.001 56.407 56.400 0.011 0.000 1.009 167 E CB 0.073 29.780 29.700 0.012 0.000 1.145 167 E HN 0.379 8.739 8.360 -0.000 0.000 0.454 168 Q N 0.266 120.075 119.800 0.016 0.000 2.384 168 Q HA 0.261 4.598 4.340 -0.005 0.000 0.207 168 Q C 0.191 176.197 176.000 0.011 0.000 0.904 168 Q CA 0.417 56.227 55.803 0.013 0.000 0.933 168 Q CB 1.018 29.767 28.738 0.017 0.000 1.077 168 Q HN 0.402 8.672 8.270 -0.000 0.000 0.522 169 A N -0.260 122.568 122.820 0.012 0.000 2.606 169 A HA 0.437 4.754 4.320 -0.005 0.000 0.293 169 A C -0.470 177.120 177.584 0.010 0.000 1.082 169 A CA -0.734 51.310 52.037 0.012 0.000 0.685 169 A CB 1.131 20.141 19.000 0.016 0.000 1.284 169 A HN -0.072 8.078 8.150 -0.000 0.000 0.408 170 N N 0.332 119.037 118.700 0.009 0.000 2.178 170 N HA 0.009 4.745 4.740 -0.005 0.000 0.189 170 N C 1.078 176.592 175.510 0.008 0.000 1.048 170 N CA 1.940 54.994 53.050 0.007 0.000 0.855 170 N CB -0.619 37.871 38.487 0.006 0.000 1.028 170 N HN 0.921 9.301 8.380 -0.000 0.000 0.441 171 T N -0.352 114.207 114.554 0.009 0.000 2.926 171 T HA 0.198 4.545 4.350 -0.005 0.000 0.307 171 T C 1.710 176.416 174.700 0.010 0.000 1.059 171 T CA -0.263 61.842 62.100 0.009 0.000 1.122 171 T CB 0.677 69.550 68.868 0.009 0.000 0.972 171 T HN 0.056 8.296 8.240 -0.000 0.000 0.545 172 I N 0.998 121.573 120.570 0.008 0.000 2.439 172 I HA -0.084 4.083 4.170 -0.005 0.000 0.251 172 I C 2.497 178.619 176.117 0.009 0.000 1.139 172 I CA 0.917 62.221 61.300 0.008 0.000 1.438 172 I CB -0.337 37.666 38.000 0.004 0.000 1.085 172 I HN 0.732 8.942 8.210 -0.000 0.000 0.427 173 E N 0.564 120.768 120.200 0.008 0.000 2.086 173 E HA -0.228 4.119 4.350 -0.005 0.000 0.200 173 E C 2.090 178.703 176.600 0.021 0.000 1.012 173 E CA 2.150 58.556 56.400 0.011 0.000 0.812 173 E CB -0.358 29.349 29.700 0.011 0.000 0.743 173 E HN 0.359 8.719 8.360 -0.000 0.000 0.453 174 T N 0.136 114.702 114.554 0.021 0.000 2.809 174 T HA -0.051 4.296 4.350 -0.005 0.000 0.260 174 T C 1.794 176.514 174.700 0.033 0.000 1.039 174 T CA 0.645 62.761 62.100 0.026 0.000 1.141 174 T CB -0.207 68.673 68.868 0.021 0.000 0.869 174 T HN 0.014 8.254 8.240 -0.000 0.000 0.437 175 I N 1.364 121.951 120.570 0.028 0.000 2.286 175 I HA -0.110 4.057 4.170 -0.005 0.000 0.248 175 I C 2.261 178.402 176.117 0.039 0.000 1.115 175 I CA 0.836 62.155 61.300 0.031 0.000 1.392 175 I CB -0.449 37.563 38.000 0.020 0.000 1.065 175 I HN 0.027 8.237 8.210 -0.000 0.000 0.418 176 V N 0.531 120.464 119.914 0.033 0.000 2.233 176 V HA -0.320 3.797 4.120 -0.005 0.000 0.247 176 V C 2.498 178.629 176.094 0.062 0.000 1.050 176 V CA 2.200 64.521 62.300 0.036 0.000 1.010 176 V CB -0.740 31.096 31.823 0.022 0.000 0.637 176 V HN 0.373 8.563 8.190 -0.000 0.000 0.444 177 L N -1.248 120.017 121.223 0.070 0.000 2.079 177 L HA -0.268 4.069 4.340 -0.005 0.000 0.210 177 L C 2.525 179.467 176.870 0.121 0.000 1.081 177 L CA 1.791 56.689 54.840 0.096 0.000 0.752 177 L CB -0.553 41.556 42.059 0.084 0.000 0.896 177 L HN 0.342 8.572 8.230 -0.000 0.000 0.433 178 M N -0.626 119.038 119.600 0.107 0.000 2.099 178 M HA -0.158 4.319 4.480 -0.005 0.000 0.262 178 M C 2.583 178.993 176.300 0.183 0.000 1.067 178 M CA 1.851 57.238 55.300 0.145 0.000 1.124 178 M CB -0.468 32.200 32.600 0.113 0.000 1.353 178 M HN 0.305 8.595 8.290 -0.000 0.000 0.410 179 A N -0.104 122.788 122.820 0.119 0.000 1.908 179 A HA -0.129 4.188 4.320 -0.005 0.000 0.218 179 A C 2.242 179.878 177.584 0.087 0.000 1.181 179 A CA 1.790 53.882 52.037 0.092 0.000 0.627 179 A CB -1.123 17.904 19.000 0.045 0.000 0.818 179 A HN 0.298 8.448 8.150 -0.000 0.000 0.445 180 V N -0.326 119.642 119.914 0.089 0.000 2.332 180 V HA -0.323 3.794 4.120 -0.005 0.000 0.248 180 V C 2.482 178.635 176.094 0.098 0.000 1.055 180 V CA 2.632 64.968 62.300 0.059 0.000 1.038 180 V CB -1.050 30.817 31.823 0.074 0.000 0.651 180 V HN 0.878 9.068 8.190 -0.000 0.000 0.450 181 H N -0.452 118.683 119.070 0.109 0.000 2.319 181 H HA -0.223 4.330 4.556 -0.005 0.000 0.299 181 H C 2.260 177.697 175.328 0.181 0.000 1.092 181 H CA 2.545 58.703 56.048 0.184 0.000 1.302 181 H CB -0.565 29.266 29.762 0.115 0.000 1.373 181 H HN 0.451 8.731 8.280 -0.000 0.000 0.497 182 C N 0.341 119.686 119.300 0.074 0.000 2.413 182 C HA -0.152 4.305 4.460 -0.005 0.000 0.276 182 C C 2.882 177.848 174.990 -0.041 0.000 1.236 182 C CA 1.308 60.335 59.018 0.015 0.000 1.735 182 C CB -0.978 26.843 27.740 0.136 0.000 2.031 182 C HN 0.650 8.880 8.230 -0.000 0.000 0.474 183 M N 0.781 120.355 119.600 -0.043 0.000 2.296 183 M HA -0.080 4.397 4.480 -0.005 0.000 0.265 183 M C 1.471 177.666 176.300 -0.175 0.000 1.064 183 M CA 1.283 56.523 55.300 -0.099 0.000 1.109 183 M CB -0.521 32.017 32.600 -0.103 0.000 1.396 183 M HN 0.465 8.755 8.290 -0.000 0.000 0.430 184 N N -0.634 117.934 118.700 -0.220 0.000 2.409 184 N HA 0.078 4.815 4.740 -0.005 0.000 0.174 184 N C 0.925 176.115 175.510 -0.533 0.000 1.037 184 N CA 0.998 53.806 53.050 -0.402 0.000 0.898 184 N CB 0.280 38.443 38.487 -0.539 0.000 1.010 184 N HN 0.271 8.651 8.380 -0.000 0.000 0.445 185 F N -0.013 119.796 119.950 -0.235 0.000 2.789 185 F HA 0.322 4.846 4.527 -0.005 0.000 0.320 185 F C 1.340 177.005 175.800 -0.225 0.000 1.079 185 F CA 0.031 57.881 58.000 -0.251 0.000 1.205 185 F CB 0.755 39.493 39.000 -0.437 0.000 1.046 185 F HN -0.237 8.063 8.300 -0.000 0.000 0.586 186 K N 1.057 121.424 120.400 -0.054 0.000 2.374 186 K HA 0.261 4.578 4.320 -0.005 0.000 0.202 186 K C 0.121 176.744 176.600 0.038 0.000 1.040 186 K CA 0.083 56.358 56.287 -0.020 0.000 1.085 186 K CB 0.578 33.059 32.500 -0.031 0.000 0.873 186 K HN 0.305 8.555 8.250 -0.000 0.000 0.539 187 R N 0.359 120.869 120.500 0.017 0.000 2.750 187 R HA 0.585 4.922 4.340 -0.005 0.000 0.281 187 R C -0.773 175.562 176.300 0.059 0.000 0.972 187 R CA -0.925 55.209 56.100 0.057 0.000 0.912 187 R CB 2.019 32.348 30.300 0.049 0.000 1.187 187 R HN -0.106 8.164 8.270 -0.000 0.000 0.464 188 R N 1.247 121.788 120.500 0.068 0.000 2.651 188 R HA 0.739 5.076 4.340 -0.005 0.000 0.278 188 R C -1.128 175.112 176.300 -0.099 0.000 1.010 188 R CA -0.150 55.938 56.100 -0.020 0.000 0.896 188 R CB 2.249 32.497 30.300 -0.087 0.000 1.211 188 R HN 0.961 9.231 8.270 -0.000 0.000 0.456 189 G N 0.680 109.272 108.800 -0.348 0.000 2.399 189 G HA2 0.447 4.404 3.960 -0.005 0.000 0.256 189 G HA3 0.447 4.404 3.960 -0.005 0.000 0.256 189 G C 0.030 174.505 174.900 -0.709 0.000 1.236 189 G CA -0.067 44.710 45.100 -0.538 0.000 0.914 189 G HN 1.355 9.645 8.290 -0.000 0.000 0.482 190 G N -0.460 107.939 108.800 -0.668 0.000 2.575 190 G HA2 -0.057 3.900 3.960 -0.005 0.000 0.267 190 G HA3 -0.057 3.900 3.960 -0.005 0.000 0.267 190 G C 1.517 176.301 174.900 -0.194 0.000 1.264 190 G CA 1.372 46.262 45.100 -0.350 0.000 0.935 190 G HN 2.116 10.406 8.290 -0.000 0.000 0.568 191 I N -1.505 118.989 120.570 -0.127 0.000 2.068 191 I HA -0.023 4.144 4.170 -0.005 0.000 0.238 191 I C 2.212 178.279 176.117 -0.083 0.000 1.046 191 I CA 2.791 64.040 61.300 -0.085 0.000 1.306 191 I CB -0.871 37.090 38.000 -0.066 0.000 1.023 191 I HN 0.976 9.186 8.210 -0.000 0.000 0.399 192 G N -0.533 108.213 108.800 -0.090 0.000 3.337 192 G HA2 0.136 4.093 3.960 -0.005 0.000 0.246 192 G HA3 0.136 4.093 3.960 -0.005 0.000 0.246 192 G C -0.079 174.766 174.900 -0.092 0.000 1.131 192 G CA 0.276 45.332 45.100 -0.075 0.000 0.773 192 G HN 0.564 8.854 8.290 -0.000 0.000 0.544 193 D N 0.154 120.477 120.400 -0.128 0.000 2.705 193 D HA -0.148 4.489 4.640 -0.005 0.000 0.240 193 D C 0.712 176.909 176.300 -0.171 0.000 1.137 193 D CA 0.975 54.884 54.000 -0.151 0.000 0.677 193 D CB -1.066 39.677 40.800 -0.095 0.000 1.049 193 D HN 0.629 8.999 8.370 -0.000 0.000 0.427 194 M N -2.549 116.948 119.600 -0.173 0.000 2.777 194 M HA 0.590 5.067 4.480 -0.005 0.000 0.307 194 M C 0.557 176.780 176.300 -0.127 0.000 1.228 194 M CA -0.973 54.232 55.300 -0.158 0.000 0.871 194 M CB 1.638 34.167 32.600 -0.118 0.000 1.721 194 M HN -0.022 8.268 8.290 -0.000 0.000 0.487 195 T N -2.516 111.968 114.554 -0.116 0.000 2.904 195 T HA 0.340 4.687 4.350 -0.005 0.000 0.290 195 T C -2.242 172.410 174.700 -0.080 0.000 1.018 195 T CA -1.445 60.600 62.100 -0.091 0.000 1.075 195 T CB 0.603 69.390 68.868 -0.136 0.000 0.986 195 T HN 0.447 8.687 8.240 -0.000 0.000 0.523 196 P HA -0.168 4.252 4.420 -0.000 0.000 0.217 196 P C 1.904 179.209 177.300 0.008 0.000 1.151 196 P CA 1.152 64.241 63.100 -0.017 0.000 0.849 196 P CB -0.059 31.604 31.700 -0.061 0.000 0.787 197 S N -0.623 115.014 115.700 -0.105 0.000 2.343 197 S HA -0.228 4.239 4.470 -0.005 0.000 0.219 197 S C 1.858 176.359 174.600 -0.165 0.000 1.033 197 S CA 1.568 59.665 58.200 -0.172 0.000 1.014 197 S CB -0.865 61.946 63.200 -0.648 0.000 0.915 197 S HN 0.160 8.470 8.310 -0.000 0.000 0.435 198 E N 0.451 120.568 120.200 -0.137 0.000 2.086 198 E HA -0.237 4.110 4.350 -0.005 0.000 0.200 198 E C 2.473 179.018 176.600 -0.092 0.000 1.012 198 E CA 1.329 57.677 56.400 -0.087 0.000 0.812 198 E CB -0.226 29.427 29.700 -0.079 0.000 0.743 198 E HN 0.418 8.778 8.360 -0.000 0.000 0.453 199 R N 0.406 120.850 120.500 -0.094 0.000 2.073 199 R HA -0.171 4.166 4.340 -0.005 0.000 0.234 199 R C 2.506 178.733 176.300 -0.121 0.000 1.134 199 R CA 1.169 57.219 56.100 -0.084 0.000 0.952 199 R CB -0.293 29.973 30.300 -0.056 0.000 0.850 199 R HN 0.133 8.403 8.270 -0.000 0.000 0.433 200 L N 0.917 122.017 121.223 -0.204 0.000 1.994 200 L HA -0.147 4.189 4.340 -0.005 0.000 0.208 200 L C 1.979 178.668 176.870 -0.303 0.000 1.071 200 L CA 1.673 56.281 54.840 -0.387 0.000 0.745 200 L CB -0.516 41.067 42.059 -0.792 0.000 0.892 200 L HN 0.139 8.369 8.230 -0.000 0.000 0.431 201 I N 0.324 120.761 120.570 -0.221 0.000 2.163 201 I HA -0.332 3.834 4.170 -0.005 0.000 0.243 201 I C 2.381 178.461 176.117 -0.060 0.000 1.085 201 I CA 1.907 63.154 61.300 -0.089 0.000 1.347 201 I CB -0.700 37.285 38.000 -0.025 0.000 1.044 201 I HN 0.511 8.721 8.210 -0.000 0.000 0.408 202 N N 0.199 118.860 118.700 -0.065 0.000 2.120 202 N HA -0.201 4.535 4.740 -0.005 0.000 0.188 202 N C 1.889 177.374 175.510 -0.042 0.000 1.024 202 N CA 1.626 54.650 53.050 -0.044 0.000 0.852 202 N CB -0.115 38.345 38.487 -0.045 0.000 1.003 202 N HN 0.245 8.625 8.380 -0.000 0.000 0.424 203 M N -0.302 119.262 119.600 -0.059 0.000 2.159 203 M HA -0.089 4.388 4.480 -0.005 0.000 0.263 203 M C 1.885 178.167 176.300 -0.031 0.000 1.063 203 M CA 1.171 56.447 55.300 -0.041 0.000 1.110 203 M CB -0.265 32.314 32.600 -0.034 0.000 1.374 203 M HN 0.244 8.534 8.290 -0.000 0.000 0.411 204 I N -0.151 120.392 120.570 -0.044 0.000 2.286 204 I HA -0.241 3.926 4.170 -0.005 0.000 0.248 204 I C 2.052 178.170 176.117 0.002 0.000 1.115 204 I CA 1.377 62.671 61.300 -0.009 0.000 1.392 204 I CB -0.552 37.457 38.000 0.014 0.000 1.065 204 I HN 0.350 8.560 8.210 -0.000 0.000 0.418 205 T N -1.432 113.120 114.554 -0.005 0.000 3.023 205 T HA -0.065 4.282 4.350 -0.005 0.000 0.266 205 T C 1.505 176.202 174.700 -0.004 0.000 1.093 205 T CA 0.917 63.016 62.100 -0.001 0.000 1.129 205 T CB -0.394 68.473 68.868 -0.002 0.000 0.899 205 T HN 0.223 8.463 8.240 -0.000 0.000 0.491 206 T N 2.112 116.661 114.554 -0.009 0.000 3.439 206 T HA 0.182 4.529 4.350 -0.005 0.000 0.251 206 T C 0.330 175.026 174.700 -0.006 0.000 1.108 206 T CA 0.351 62.446 62.100 -0.010 0.000 0.982 206 T CB -0.144 68.716 68.868 -0.014 0.000 1.024 206 T HN 0.281 8.521 8.240 -0.000 0.000 0.573 207 E N 0.000 120.198 120.200 -0.003 0.000 2.725 207 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 207 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 207 E CB 0.000 29.703 29.700 0.004 0.000 0.812 207 E HN 0.000 8.360 8.360 -0.000 0.000 0.440