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 2rdh_1_C DATA FIRST_RESID 5 DATA SEQUENCE VRSQATQDLS EYYNRPYFDL RNLSGYREGN TVTFINHYQQ TDVKLEGKDK DATA SEQUENCE DKIKDGNNEN LDVFVVREGS GRQADNNSIG GITKTNRTQH IDTVQNVNLL DATA SEQUENCE VSKSTGQHTT SVTSTNYSIY KEEISLKELD FKLRKHLIDK HDLYKTEPKD DATA SEQUENCE SKIRVTMKNG DFYTFELNKK LQTHRMGDVI DGRNIEKIEV NL 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.106 176.094 0.021 0.000 1.182 5 V CA 0.000 62.310 62.300 0.017 0.000 1.235 5 V CB 0.000 31.833 31.823 0.016 0.000 1.184 6 R N 2.437 122.952 120.500 0.024 0.000 2.486 6 R HA 0.732 5.065 4.340 -0.012 0.000 0.286 6 R C 0.699 177.011 176.300 0.020 0.000 0.999 6 R CA 0.383 56.500 56.100 0.028 0.000 0.993 6 R CB 1.618 31.941 30.300 0.038 0.000 1.084 6 R HN 0.604 8.874 8.270 -0.000 0.000 0.487 7 S N 1.042 116.753 115.700 0.019 0.000 2.566 7 S HA -0.102 4.361 4.470 -0.012 0.000 0.280 7 S C 1.108 175.710 174.600 0.004 0.000 1.343 7 S CA -0.476 57.731 58.200 0.011 0.000 1.036 7 S CB 1.203 64.410 63.200 0.011 0.000 0.866 7 S HN 0.704 9.014 8.310 -0.000 0.000 0.526 8 Q N 2.648 122.449 119.800 0.001 0.000 2.112 8 Q HA -0.120 4.213 4.340 -0.012 0.000 0.206 8 Q C 2.312 178.302 176.000 -0.016 0.000 0.987 8 Q CA 2.531 58.331 55.803 -0.004 0.000 0.858 8 Q CB -1.267 27.470 28.738 -0.002 0.000 0.905 8 Q HN 0.984 9.254 8.270 -0.000 0.000 0.420 9 A N -0.880 121.929 122.820 -0.018 0.000 1.903 9 A HA -0.262 4.051 4.320 -0.012 0.000 0.219 9 A C 2.337 179.879 177.584 -0.070 0.000 1.191 9 A CA 2.380 54.396 52.037 -0.034 0.000 0.638 9 A CB -1.215 17.773 19.000 -0.020 0.000 0.823 9 A HN 0.515 8.665 8.150 -0.000 0.000 0.451 10 T N -0.219 114.302 114.554 -0.055 0.000 2.857 10 T HA -0.121 4.222 4.350 -0.012 0.000 0.266 10 T C 2.051 176.690 174.700 -0.101 0.000 1.048 10 T CA 1.513 63.559 62.100 -0.091 0.000 1.139 10 T CB -0.249 68.627 68.868 0.014 0.000 0.874 10 T HN 0.625 8.865 8.240 -0.000 0.000 0.455 11 Q N 0.795 120.573 119.800 -0.037 0.000 2.096 11 Q HA -0.158 4.175 4.340 -0.012 0.000 0.204 11 Q C 2.010 177.993 176.000 -0.028 0.000 0.982 11 Q CA 1.429 57.223 55.803 -0.015 0.000 0.850 11 Q CB -0.205 28.534 28.738 0.002 0.000 0.901 11 Q HN 0.460 8.730 8.270 -0.000 0.000 0.422 12 D N 0.626 121.000 120.400 -0.044 0.000 2.117 12 D HA -0.106 4.527 4.640 -0.012 0.000 0.198 12 D C 1.947 178.222 176.300 -0.042 0.000 0.982 12 D CA 0.849 54.831 54.000 -0.029 0.000 0.828 12 D CB -0.171 40.609 40.800 -0.034 0.000 0.967 12 D HN 0.190 8.560 8.370 -0.000 0.000 0.464 13 L N 0.316 121.441 121.223 -0.163 0.000 2.046 13 L HA -0.163 4.170 4.340 -0.012 0.000 0.208 13 L C 2.542 179.324 176.870 -0.146 0.000 1.077 13 L CA 0.996 55.680 54.840 -0.259 0.000 0.747 13 L CB -0.421 41.142 42.059 -0.827 0.000 0.896 13 L HN 0.012 8.242 8.230 -0.000 0.000 0.432 14 S N -0.553 115.043 115.700 -0.173 0.000 2.356 14 S HA -0.232 4.231 4.470 -0.012 0.000 0.223 14 S C 2.044 176.717 174.600 0.122 0.000 1.032 14 S CA 1.457 59.715 58.200 0.097 0.000 1.005 14 S CB -0.205 63.061 63.200 0.111 0.000 0.867 14 S HN 0.391 8.701 8.310 -0.000 0.000 0.449 15 E N -0.175 120.071 120.200 0.077 0.000 2.058 15 E HA -0.194 4.149 4.350 -0.012 0.000 0.194 15 E C 1.874 178.537 176.600 0.105 0.000 0.997 15 E CA 1.462 57.911 56.400 0.081 0.000 0.801 15 E CB -0.573 29.165 29.700 0.063 0.000 0.746 15 E HN 0.732 9.092 8.360 -0.000 0.000 0.450 16 Y N 0.055 120.343 120.300 -0.019 0.000 2.114 16 Y HA -0.252 4.292 4.550 -0.009 0.000 0.284 16 Y C 1.940 177.805 175.900 -0.058 0.000 1.143 16 Y CA 2.091 60.144 58.100 -0.079 0.000 1.135 16 Y CB -0.644 37.674 38.460 -0.237 0.000 0.980 16 Y HN 0.079 8.359 8.280 -0.000 0.000 0.499 17 Y N -0.147 120.203 120.300 0.084 0.000 2.583 17 Y HA -0.041 4.501 4.550 -0.012 0.000 0.293 17 Y C 1.744 177.507 175.900 -0.228 0.000 1.157 17 Y CA 0.489 58.434 58.100 -0.258 0.000 1.315 17 Y CB -0.136 38.257 38.460 -0.112 0.000 1.021 17 Y HN 0.206 8.486 8.280 -0.000 0.000 0.536 18 N N 0.370 119.119 118.700 0.081 0.000 2.398 18 N HA 0.024 4.757 4.740 -0.012 0.000 0.188 18 N C 0.173 175.740 175.510 0.095 0.000 1.122 18 N CA 0.180 53.279 53.050 0.081 0.000 0.866 18 N CB 0.178 38.712 38.487 0.078 0.000 0.970 18 N HN 0.305 8.685 8.380 -0.000 0.000 0.462 19 R N 1.643 122.211 120.500 0.113 0.000 2.694 19 R HA 0.139 4.472 4.340 -0.012 0.000 0.268 19 R C -2.022 174.335 176.300 0.096 0.000 1.061 19 R CA -0.964 55.176 56.100 0.067 0.000 1.133 19 R CB -0.080 30.194 30.300 -0.045 0.000 1.020 19 R HN 0.080 8.350 8.270 -0.000 0.000 0.475 20 P HA -0.010 4.410 4.420 -0.000 0.000 0.272 20 P C -1.405 175.523 177.300 -0.620 0.000 1.223 20 P CA 0.127 62.999 63.100 -0.380 0.000 0.784 20 P CB 0.403 31.784 31.700 -0.532 0.000 0.923 21 Y N -0.764 119.051 120.300 -0.807 0.000 2.621 21 Y HA 0.781 5.326 4.550 -0.007 0.000 0.334 21 Y C -1.120 174.003 175.900 -1.294 0.000 1.074 21 Y CA -1.600 55.855 58.100 -1.074 0.000 1.149 21 Y CB 1.131 38.960 38.460 -1.053 0.000 1.302 21 Y HN 0.087 8.367 8.280 -0.000 0.000 0.501 22 F N 1.130 120.837 119.950 -0.405 0.000 2.659 22 F HA 0.252 4.769 4.527 -0.016 0.000 0.342 22 F C -0.826 174.836 175.800 -0.230 0.000 1.168 22 F CA -1.021 56.803 58.000 -0.293 0.000 1.003 22 F CB 1.353 40.199 39.000 -0.257 0.000 1.267 22 F HN 0.512 8.812 8.300 -0.000 0.000 0.463 23 D N 4.912 125.358 120.400 0.076 0.000 2.393 23 D HA 0.313 4.946 4.640 -0.012 0.000 0.232 23 D C -0.703 175.640 176.300 0.072 0.000 1.192 23 D CA 0.075 54.154 54.000 0.132 0.000 0.882 23 D CB 0.531 41.523 40.800 0.320 0.000 1.038 23 D HN 0.446 8.816 8.370 -0.000 0.000 0.499 24 L N 4.373 125.599 121.223 0.006 0.000 2.275 24 L HA 0.507 4.840 4.340 -0.012 0.000 0.288 24 L C 0.625 177.485 176.870 -0.016 0.000 1.046 24 L CA -0.937 53.887 54.840 -0.027 0.000 0.805 24 L CB 1.144 43.132 42.059 -0.119 0.000 1.193 24 L HN 0.072 8.302 8.230 -0.000 0.000 0.426 25 R N 2.543 123.052 120.500 0.014 0.000 2.514 25 R HA 0.240 4.573 4.340 -0.012 0.000 0.301 25 R C -0.215 176.111 176.300 0.044 0.000 0.962 25 R CA -1.097 55.023 56.100 0.032 0.000 0.882 25 R CB 1.071 31.394 30.300 0.038 0.000 1.143 25 R HN 0.652 8.922 8.270 -0.000 0.000 0.452 26 N N 1.178 119.912 118.700 0.057 0.000 2.681 26 N HA -0.188 4.545 4.740 -0.012 0.000 0.259 26 N C -1.226 174.338 175.510 0.091 0.000 1.066 26 N CA 0.741 53.834 53.050 0.072 0.000 0.717 26 N CB -0.877 37.646 38.487 0.060 0.000 0.885 26 N HN 0.617 8.997 8.380 -0.000 0.000 0.547 27 L N -2.650 118.651 121.223 0.130 0.000 2.327 27 L HA 0.838 5.171 4.340 -0.012 0.000 0.258 27 L C -0.142 176.880 176.870 0.254 0.000 1.024 27 L CA -1.109 53.840 54.840 0.183 0.000 0.825 27 L CB 1.831 44.009 42.059 0.198 0.000 1.386 27 L HN -0.024 8.206 8.230 -0.000 0.000 0.417 28 S N -0.222 115.604 115.700 0.210 0.000 2.525 28 S HA 0.743 5.206 4.470 -0.012 0.000 0.278 28 S C 0.071 174.667 174.600 -0.005 0.000 1.234 28 S CA -0.270 58.005 58.200 0.126 0.000 1.058 28 S CB 1.384 64.625 63.200 0.068 0.000 0.983 28 S HN 0.956 9.266 8.310 -0.000 0.000 0.495 29 G N 1.057 109.704 108.800 -0.254 0.000 2.513 29 G HA2 0.534 4.487 3.960 -0.012 0.000 0.317 29 G HA3 0.534 4.487 3.960 -0.012 0.000 0.317 29 G C -1.785 172.893 174.900 -0.371 0.000 1.277 29 G CA -0.524 44.041 45.100 -0.892 0.000 0.955 29 G HN 0.630 8.920 8.290 -0.000 0.000 0.484 30 Y N 2.692 122.743 120.300 -0.414 0.000 2.342 30 Y HA 0.519 5.062 4.550 -0.012 0.000 0.338 30 Y C 0.661 176.450 175.900 -0.186 0.000 0.965 30 Y CA -0.995 56.974 58.100 -0.219 0.000 1.159 30 Y CB 1.001 39.370 38.460 -0.152 0.000 1.157 30 Y HN 0.497 8.777 8.280 -0.000 0.000 0.486 31 R N 5.306 125.508 120.500 -0.498 0.000 2.221 31 R HA 0.233 4.566 4.340 -0.012 0.000 0.327 31 R C -1.002 175.081 176.300 -0.361 0.000 1.033 31 R CA -0.219 55.689 56.100 -0.319 0.000 0.887 31 R CB 0.661 30.819 30.300 -0.236 0.000 1.057 31 R HN 0.684 8.954 8.270 -0.000 0.000 0.455 32 E N 3.297 123.434 120.200 -0.104 0.000 2.241 32 E HA 0.274 4.617 4.350 -0.012 0.000 0.263 32 E C 0.080 176.675 176.600 -0.009 0.000 0.882 32 E CA 0.278 56.668 56.400 -0.017 0.000 0.769 32 E CB 1.752 31.533 29.700 0.134 0.000 1.185 32 E HN 0.930 9.290 8.360 -0.000 0.000 0.415 33 G N 5.284 114.074 108.800 -0.017 0.000 2.591 33 G HA2 -0.349 3.604 3.960 -0.012 0.000 0.298 33 G HA3 -0.349 3.604 3.960 -0.012 0.000 0.298 33 G C 0.453 175.346 174.900 -0.012 0.000 1.195 33 G CA 0.424 45.520 45.100 -0.008 0.000 0.989 33 G HN 0.581 8.871 8.290 -0.000 0.000 0.551 34 N N 1.450 120.152 118.700 0.003 0.000 2.273 34 N HA 0.350 5.083 4.740 -0.012 0.000 0.231 34 N C -0.302 175.220 175.510 0.020 0.000 1.134 34 N CA 0.656 53.712 53.050 0.010 0.000 0.856 34 N CB 0.883 39.381 38.487 0.017 0.000 1.068 34 N HN 0.499 8.879 8.380 -0.000 0.000 0.510 35 T N 0.092 114.655 114.554 0.015 0.000 2.848 35 T HA 0.456 4.799 4.350 -0.012 0.000 0.285 35 T C -0.297 174.407 174.700 0.007 0.000 0.995 35 T CA -0.442 61.675 62.100 0.028 0.000 0.970 35 T CB 2.385 71.274 68.868 0.035 0.000 0.976 35 T HN -0.303 7.937 8.240 -0.000 0.000 0.441 36 V N 3.546 123.472 119.914 0.021 0.000 2.398 36 V HA 0.511 4.624 4.120 -0.012 0.000 0.286 36 V C 0.259 176.314 176.094 -0.065 0.000 1.026 36 V CA -0.707 61.553 62.300 -0.067 0.000 0.868 36 V CB 1.649 33.439 31.823 -0.055 0.000 0.982 36 V HN 0.951 9.141 8.190 -0.000 0.000 0.443 37 T N 5.609 120.064 114.554 -0.166 0.000 2.794 37 T HA 0.691 5.034 4.350 -0.012 0.000 0.280 37 T C -0.759 173.770 174.700 -0.285 0.000 0.987 37 T CA -0.053 61.999 62.100 -0.080 0.000 0.993 37 T CB 0.607 69.475 68.868 0.001 0.000 0.939 37 T HN 0.320 8.560 8.240 -0.000 0.000 0.449 38 F N 2.613 122.585 119.950 0.036 0.000 2.482 38 F HA 0.655 5.176 4.527 -0.011 0.000 0.331 38 F C 0.097 175.903 175.800 0.009 0.000 1.115 38 F CA -1.141 56.876 58.000 0.029 0.000 0.955 38 F CB 1.286 40.299 39.000 0.022 0.000 1.136 38 F HN 0.303 8.603 8.300 -0.000 0.000 0.452 39 I N 3.390 124.054 120.570 0.157 0.000 2.499 39 I HA 0.363 4.526 4.170 -0.012 0.000 0.288 39 I C -1.148 175.013 176.117 0.073 0.000 1.048 39 I CA -0.755 60.592 61.300 0.078 0.000 1.062 39 I CB 2.128 40.141 38.000 0.022 0.000 1.238 39 I HN 0.674 8.884 8.210 -0.000 0.000 0.426 40 N N 1.989 120.722 118.700 0.056 0.000 2.577 40 N HA 0.251 4.984 4.740 -0.012 0.000 0.285 40 N C 0.549 176.064 175.510 0.008 0.000 1.309 40 N CA -0.716 52.366 53.050 0.053 0.000 0.798 40 N CB 0.521 39.065 38.487 0.094 0.000 1.463 40 N HN 0.524 8.904 8.380 -0.000 0.000 0.518 41 H N -1.046 117.938 119.070 -0.142 0.000 2.426 41 H HA -0.096 4.452 4.556 -0.014 0.000 0.298 41 H C 0.324 175.489 175.328 -0.270 0.000 1.107 41 H CA 1.948 57.831 56.048 -0.275 0.000 1.298 41 H CB -0.073 29.403 29.762 -0.477 0.000 1.377 41 H HN 0.656 8.936 8.280 -0.000 0.000 0.519 42 Y N -1.597 118.628 120.300 -0.124 0.000 2.503 42 Y HA 0.177 4.724 4.550 -0.004 0.000 0.278 42 Y C 0.607 176.411 175.900 -0.160 0.000 1.111 42 Y CA 0.194 58.184 58.100 -0.183 0.000 1.270 42 Y CB 0.773 39.190 38.460 -0.072 0.000 1.063 42 Y HN 0.175 8.455 8.280 -0.000 0.000 0.548 43 Q N 0.480 120.288 119.800 0.014 0.000 2.313 43 Q HA 0.210 4.543 4.340 -0.012 0.000 0.260 43 Q C -1.501 174.483 176.000 -0.025 0.000 0.972 43 Q CA -0.525 55.258 55.803 -0.033 0.000 0.886 43 Q CB 1.658 30.357 28.738 -0.064 0.000 1.373 43 Q HN 0.213 8.483 8.270 -0.000 0.000 0.416 44 Q N 1.720 121.499 119.800 -0.035 0.000 2.256 44 Q HA 0.745 5.078 4.340 -0.012 0.000 0.257 44 Q C -1.118 174.884 176.000 0.002 0.000 0.936 44 Q CA -0.377 55.427 55.803 0.001 0.000 0.903 44 Q CB 1.513 30.248 28.738 -0.004 0.000 1.263 44 Q HN 0.675 8.945 8.270 -0.000 0.000 0.440 45 T N 3.706 118.303 114.554 0.071 0.000 2.841 45 T HA 0.336 4.679 4.350 -0.012 0.000 0.285 45 T C -1.529 173.277 174.700 0.177 0.000 0.991 45 T CA -0.795 61.354 62.100 0.082 0.000 0.966 45 T CB 0.906 69.802 68.868 0.047 0.000 0.962 45 T HN 0.495 8.735 8.240 -0.000 0.000 0.438 46 D N 2.730 123.199 120.400 0.115 0.000 2.381 46 D HA 0.431 5.064 4.640 -0.012 0.000 0.235 46 D C -0.569 175.806 176.300 0.125 0.000 1.068 46 D CA -0.285 53.785 54.000 0.116 0.000 0.832 46 D CB 2.075 42.913 40.800 0.063 0.000 1.101 46 D HN 0.198 8.568 8.370 -0.000 0.000 0.515 47 V N 2.872 122.890 119.914 0.173 0.000 2.417 47 V HA 0.236 4.349 4.120 -0.012 0.000 0.291 47 V C 0.426 176.587 176.094 0.113 0.000 1.024 47 V CA -0.850 61.545 62.300 0.158 0.000 0.861 47 V CB 1.751 33.726 31.823 0.253 0.000 0.985 47 V HN 0.227 8.417 8.190 -0.000 0.000 0.436 48 K N 4.943 125.395 120.400 0.086 0.000 2.276 48 K HA 0.544 4.857 4.320 -0.012 0.000 0.283 48 K C -0.895 175.747 176.600 0.071 0.000 1.044 48 K CA -0.319 56.009 56.287 0.068 0.000 0.944 48 K CB 1.067 33.601 32.500 0.057 0.000 1.012 48 K HN 0.519 8.769 8.250 -0.000 0.000 0.472 49 L N 3.432 124.691 121.223 0.060 0.000 2.257 49 L HA 0.222 4.555 4.340 -0.012 0.000 0.290 49 L C 0.667 177.570 176.870 0.055 0.000 1.044 49 L CA 0.079 54.953 54.840 0.058 0.000 0.810 49 L CB 0.819 42.905 42.059 0.045 0.000 1.193 49 L HN 0.741 8.971 8.230 -0.000 0.000 0.425 50 E N 1.872 122.111 120.200 0.065 0.000 2.676 50 E HA 0.242 4.585 4.350 -0.012 0.000 0.222 50 E C 0.602 177.260 176.600 0.097 0.000 0.968 50 E CA -0.130 56.315 56.400 0.074 0.000 1.090 50 E CB 1.543 31.290 29.700 0.078 0.000 1.066 50 E HN 0.883 9.243 8.360 -0.000 0.000 0.496 51 G N 0.378 109.232 108.800 0.090 0.000 3.255 51 G HA2 0.033 3.986 3.960 -0.012 0.000 0.161 51 G HA3 0.033 3.986 3.960 -0.012 0.000 0.161 51 G C 0.380 175.326 174.900 0.076 0.000 1.173 51 G CA -0.324 44.839 45.100 0.105 0.000 1.106 51 G HN -0.212 8.078 8.290 -0.000 0.000 0.650 52 K N 1.255 121.704 120.400 0.082 0.000 2.160 52 K HA -0.104 4.209 4.320 -0.012 0.000 0.206 52 K C 2.071 178.700 176.600 0.050 0.000 1.047 52 K CA 1.876 58.200 56.287 0.062 0.000 0.930 52 K CB -0.415 32.125 32.500 0.066 0.000 0.720 52 K HN 0.626 8.876 8.250 -0.000 0.000 0.450 53 D N 0.679 121.111 120.400 0.054 0.000 2.221 53 D HA -0.181 4.452 4.640 -0.012 0.000 0.204 53 D C 1.308 177.631 176.300 0.039 0.000 0.982 53 D CA 1.051 55.081 54.000 0.049 0.000 0.857 53 D CB -0.325 40.510 40.800 0.058 0.000 0.934 53 D HN 0.179 8.549 8.370 -0.000 0.000 0.475 54 K N -0.066 120.356 120.400 0.036 0.000 2.209 54 K HA -0.096 4.217 4.320 -0.012 0.000 0.204 54 K C 0.948 177.557 176.600 0.015 0.000 1.048 54 K CA 1.285 57.586 56.287 0.023 0.000 0.940 54 K CB 0.069 32.583 32.500 0.024 0.000 0.729 54 K HN 0.292 8.542 8.250 -0.000 0.000 0.451 55 D N -0.133 120.279 120.400 0.019 0.000 2.367 55 D HA -0.035 4.598 4.640 -0.012 0.000 0.207 55 D C 1.558 177.866 176.300 0.013 0.000 1.034 55 D CA 0.542 54.551 54.000 0.014 0.000 0.861 55 D CB 0.458 41.268 40.800 0.017 0.000 0.943 55 D HN 0.142 8.512 8.370 -0.000 0.000 0.515 56 K N 0.288 120.699 120.400 0.019 0.000 2.168 56 K HA 0.037 4.350 4.320 -0.012 0.000 0.201 56 K C 0.653 177.262 176.600 0.015 0.000 1.049 56 K CA 0.322 56.621 56.287 0.021 0.000 0.974 56 K CB 0.592 33.111 32.500 0.031 0.000 0.792 56 K HN -0.116 8.134 8.250 -0.000 0.000 0.463 57 I N 3.329 123.906 120.570 0.013 0.000 2.428 57 I HA 0.125 4.288 4.170 -0.012 0.000 0.289 57 I C -0.222 175.879 176.117 -0.028 0.000 1.019 57 I CA -0.262 61.037 61.300 -0.001 0.000 1.351 57 I CB 1.251 39.255 38.000 0.007 0.000 1.412 57 I HN 0.089 8.299 8.210 -0.000 0.000 0.513 58 K N 3.847 124.219 120.400 -0.046 0.000 2.118 58 K HA 0.263 4.576 4.320 -0.012 0.000 0.264 58 K C -0.541 175.986 176.600 -0.122 0.000 1.000 58 K CA -0.816 55.430 56.287 -0.067 0.000 0.929 58 K CB 0.826 33.290 32.500 -0.059 0.000 1.021 58 K HN 0.379 8.629 8.250 -0.000 0.000 0.463 59 D N 1.021 121.344 120.400 -0.127 0.000 2.423 59 D HA 0.189 4.822 4.640 -0.012 0.000 0.238 59 D C 1.051 177.170 176.300 -0.301 0.000 1.142 59 D CA 1.286 55.166 54.000 -0.200 0.000 0.884 59 D CB 0.681 41.399 40.800 -0.137 0.000 1.199 59 D HN 0.700 9.070 8.370 -0.000 0.000 0.438 60 G N 2.038 110.476 108.800 -0.603 0.000 2.553 60 G HA2 -0.265 3.688 3.960 -0.012 0.000 0.242 60 G HA3 -0.265 3.688 3.960 -0.012 0.000 0.242 60 G C 0.054 174.541 174.900 -0.688 0.000 1.277 60 G CA -0.289 44.271 45.100 -0.899 0.000 0.910 60 G HN 0.709 8.999 8.290 -0.000 0.000 0.576 61 N N 1.203 119.780 118.700 -0.206 0.000 2.513 61 N HA 0.207 4.940 4.740 -0.012 0.000 0.268 61 N C -0.677 174.798 175.510 -0.058 0.000 1.180 61 N CA 0.013 53.056 53.050 -0.010 0.000 0.948 61 N CB -0.043 38.517 38.487 0.123 0.000 1.083 61 N HN 0.532 8.912 8.380 -0.000 0.000 0.455 62 N N 2.548 121.218 118.700 -0.050 0.000 2.461 62 N HA 0.165 4.898 4.740 -0.012 0.000 0.284 62 N C -1.247 174.277 175.510 0.023 0.000 1.049 62 N CA -0.416 52.622 53.050 -0.020 0.000 0.889 62 N CB 1.953 40.423 38.487 -0.030 0.000 1.365 62 N HN 0.593 8.973 8.380 -0.000 0.000 0.499 63 E N 0.574 120.798 120.200 0.040 0.000 2.280 63 E HA 0.264 4.607 4.350 -0.012 0.000 0.261 63 E C -0.362 176.286 176.600 0.080 0.000 1.088 63 E CA -0.719 55.718 56.400 0.062 0.000 0.915 63 E CB 0.952 30.681 29.700 0.050 0.000 1.141 63 E HN 0.427 8.787 8.360 -0.000 0.000 0.433 64 N N 0.002 118.757 118.700 0.090 0.000 2.714 64 N HA -0.199 4.534 4.740 -0.012 0.000 0.253 64 N C -1.303 174.267 175.510 0.100 0.000 1.024 64 N CA 0.080 53.182 53.050 0.086 0.000 0.726 64 N CB -1.269 37.256 38.487 0.064 0.000 0.908 64 N HN 0.308 8.688 8.380 -0.000 0.000 0.542 65 L N -0.307 121.001 121.223 0.142 0.000 2.334 65 L HA 0.539 4.872 4.340 -0.012 0.000 0.272 65 L C 0.243 177.182 176.870 0.114 0.000 1.020 65 L CA -0.903 54.032 54.840 0.158 0.000 0.812 65 L CB 1.106 43.333 42.059 0.280 0.000 1.264 65 L HN 0.044 8.274 8.230 -0.000 0.000 0.439 66 D N 0.857 121.303 120.400 0.076 0.000 2.228 66 D HA 0.558 5.191 4.640 -0.012 0.000 0.247 66 D C -0.967 175.317 176.300 -0.027 0.000 0.995 66 D CA -0.172 53.844 54.000 0.027 0.000 0.903 66 D CB 2.845 43.677 40.800 0.054 0.000 1.205 66 D HN 0.106 8.476 8.370 -0.000 0.000 0.459 67 V N 2.160 122.006 119.914 -0.114 0.000 2.733 67 V HA 0.456 4.569 4.120 -0.012 0.000 0.306 67 V C -1.782 174.285 176.094 -0.045 0.000 1.084 67 V CA -0.851 61.353 62.300 -0.160 0.000 0.905 67 V CB 1.614 33.101 31.823 -0.560 0.000 1.010 67 V HN 0.427 8.617 8.190 -0.000 0.000 0.424 68 F N 7.313 127.209 119.950 -0.089 0.000 2.334 68 F HA 0.697 5.218 4.527 -0.011 0.000 0.367 68 F C -0.360 175.398 175.800 -0.069 0.000 1.115 68 F CA -0.367 57.596 58.000 -0.061 0.000 1.116 68 F CB 1.293 40.244 39.000 -0.081 0.000 1.230 68 F HN 0.355 8.655 8.300 -0.000 0.000 0.484 69 V N 6.876 126.518 119.914 -0.453 0.000 2.427 69 V HA 0.527 4.640 4.120 -0.012 0.000 0.286 69 V C -0.527 175.358 176.094 -0.350 0.000 1.034 69 V CA -0.730 61.421 62.300 -0.248 0.000 0.893 69 V CB 1.472 33.249 31.823 -0.076 0.000 0.982 69 V HN 0.507 8.697 8.190 -0.000 0.000 0.452 70 V N 5.412 125.177 119.914 -0.247 0.000 2.577 70 V HA 0.461 4.574 4.120 -0.012 0.000 0.303 70 V C 0.009 176.043 176.094 -0.099 0.000 1.042 70 V CA -0.937 61.183 62.300 -0.300 0.000 0.872 70 V CB 2.025 33.529 31.823 -0.532 0.000 0.998 70 V HN 0.822 9.012 8.190 -0.000 0.000 0.423 71 R N 3.150 123.631 120.500 -0.032 0.000 2.347 71 R HA 0.350 4.683 4.340 -0.012 0.000 0.304 71 R C -0.237 176.080 176.300 0.029 0.000 1.072 71 R CA -0.294 55.813 56.100 0.012 0.000 0.980 71 R CB 0.705 31.027 30.300 0.038 0.000 0.986 71 R HN 0.604 8.874 8.270 -0.000 0.000 0.448 72 E N 1.426 121.659 120.200 0.056 0.000 2.248 72 E HA 0.411 4.754 4.350 -0.012 0.000 0.272 72 E C 0.709 177.348 176.600 0.064 0.000 1.008 72 E CA -0.060 56.397 56.400 0.094 0.000 0.856 72 E CB 1.797 31.552 29.700 0.091 0.000 1.120 72 E HN 0.785 9.145 8.360 -0.000 0.000 0.397 73 G N 1.762 110.604 108.800 0.070 0.000 2.615 73 G HA2 -0.260 3.693 3.960 -0.012 0.000 0.218 73 G HA3 -0.260 3.693 3.960 -0.012 0.000 0.218 73 G C -0.017 174.906 174.900 0.038 0.000 1.339 73 G CA -0.228 44.900 45.100 0.045 0.000 0.884 73 G HN 0.851 9.141 8.290 -0.000 0.000 0.559 74 S N 0.245 115.960 115.700 0.026 0.000 2.558 74 S HA 0.429 4.892 4.470 -0.012 0.000 0.288 74 S C 1.799 176.410 174.600 0.018 0.000 1.318 74 S CA 0.947 59.159 58.200 0.020 0.000 1.056 74 S CB 1.086 64.294 63.200 0.013 0.000 0.853 74 S HN 2.366 10.676 8.310 -0.000 0.000 0.505 75 G N 2.572 111.383 108.800 0.018 0.000 2.708 75 G HA2 -0.080 3.873 3.960 -0.012 0.000 0.210 75 G HA3 -0.080 3.873 3.960 -0.012 0.000 0.210 75 G C 1.389 176.292 174.900 0.005 0.000 1.141 75 G CA -0.025 45.084 45.100 0.015 0.000 0.788 75 G HN 0.827 9.117 8.290 -0.000 0.000 0.531 76 R N -0.710 119.791 120.500 0.001 0.000 2.265 76 R HA 0.106 4.439 4.340 -0.012 0.000 0.194 76 R C 0.282 176.574 176.300 -0.013 0.000 0.931 76 R CA -0.146 55.951 56.100 -0.005 0.000 1.032 76 R CB 0.180 30.478 30.300 -0.003 0.000 0.980 76 R HN 0.356 8.626 8.270 -0.000 0.000 0.497 77 Q N 0.307 120.098 119.800 -0.014 0.000 2.337 77 Q HA 0.125 4.458 4.340 -0.012 0.000 0.270 77 Q C 0.927 176.906 176.000 -0.035 0.000 1.002 77 Q CA 0.229 56.020 55.803 -0.020 0.000 0.888 77 Q CB 0.822 29.551 28.738 -0.016 0.000 1.222 77 Q HN 0.111 8.381 8.270 -0.000 0.000 0.400 78 A N 3.159 125.957 122.820 -0.037 0.000 1.865 78 A HA -0.140 4.173 4.320 -0.012 0.000 0.217 78 A C 0.351 177.895 177.584 -0.066 0.000 1.191 78 A CA 1.255 53.262 52.037 -0.051 0.000 0.623 78 A CB -0.264 18.710 19.000 -0.044 0.000 0.826 78 A HN 0.748 8.898 8.150 -0.000 0.000 0.444 79 D N 0.855 121.224 120.400 -0.051 0.000 2.362 79 D HA 0.187 4.821 4.640 -0.012 0.000 0.242 79 D C -0.462 175.798 176.300 -0.066 0.000 1.132 79 D CA -0.094 53.874 54.000 -0.053 0.000 0.907 79 D CB 0.209 40.993 40.800 -0.026 0.000 1.195 79 D HN 0.165 8.535 8.370 -0.000 0.000 0.429 80 N N 1.965 120.615 118.700 -0.084 0.000 2.430 80 N HA 0.120 4.853 4.740 -0.012 0.000 0.265 80 N C -0.498 174.997 175.510 -0.025 0.000 1.100 80 N CA -0.133 52.865 53.050 -0.086 0.000 0.961 80 N CB 0.408 38.806 38.487 -0.148 0.000 1.075 80 N HN 0.200 8.580 8.380 -0.000 0.000 0.478 81 N N 0.730 119.425 118.700 -0.008 0.000 2.444 81 N HA 0.209 4.942 4.740 -0.012 0.000 0.262 81 N C -0.661 174.865 175.510 0.026 0.000 0.974 81 N CA -0.085 52.976 53.050 0.018 0.000 0.933 81 N CB 1.678 40.178 38.487 0.022 0.000 1.137 81 N HN 0.351 8.731 8.380 -0.000 0.000 0.498 82 S N 1.913 117.635 115.700 0.038 0.000 2.661 82 S HA 0.700 5.163 4.470 -0.012 0.000 0.285 82 S C -1.129 173.509 174.600 0.062 0.000 1.138 82 S CA -0.647 57.577 58.200 0.040 0.000 0.855 82 S CB 1.134 64.340 63.200 0.010 0.000 1.136 82 S HN 0.358 8.668 8.310 -0.000 0.000 0.484 83 I N 2.693 123.304 120.570 0.069 0.000 2.447 83 I HA 0.586 4.749 4.170 -0.012 0.000 0.287 83 I C 0.819 176.985 176.117 0.082 0.000 1.023 83 I CA -0.089 61.257 61.300 0.076 0.000 1.083 83 I CB 1.218 39.262 38.000 0.074 0.000 1.245 83 I HN 1.028 9.238 8.210 -0.000 0.000 0.434 84 G N 4.175 113.026 108.800 0.085 0.000 2.552 84 G HA2 0.011 3.964 3.960 -0.012 0.000 0.265 84 G HA3 0.011 3.964 3.960 -0.012 0.000 0.265 84 G C 0.757 175.713 174.900 0.093 0.000 1.234 84 G CA 0.148 45.299 45.100 0.084 0.000 0.944 84 G HN 1.745 10.034 8.290 -0.000 0.000 0.568 85 G N -1.581 107.273 108.800 0.090 0.000 2.155 85 G HA2 -0.136 3.817 3.960 -0.012 0.000 0.257 85 G HA3 -0.136 3.817 3.960 -0.012 0.000 0.257 85 G C 0.383 175.340 174.900 0.096 0.000 0.983 85 G CA 0.940 46.108 45.100 0.113 0.000 0.676 85 G HN 1.471 9.761 8.290 -0.000 0.000 0.528 86 I N 1.682 122.305 120.570 0.090 0.000 2.385 86 I HA 0.581 4.744 4.170 -0.012 0.000 0.294 86 I C 0.831 176.998 176.117 0.083 0.000 0.988 86 I CA 0.146 61.507 61.300 0.100 0.000 1.265 86 I CB 1.695 39.796 38.000 0.168 0.000 1.388 86 I HN 0.301 8.511 8.210 -0.000 0.000 0.480 87 T N 1.794 116.395 114.554 0.079 0.000 2.883 87 T HA 0.451 4.794 4.350 -0.012 0.000 0.296 87 T C -0.538 174.205 174.700 0.073 0.000 1.117 87 T CA -1.128 61.011 62.100 0.065 0.000 1.006 87 T CB 1.862 70.760 68.868 0.050 0.000 1.191 87 T HN 0.299 8.539 8.240 -0.000 0.000 0.508 88 K N 1.258 121.695 120.400 0.062 0.000 2.401 88 K HA 0.356 4.669 4.320 -0.012 0.000 0.278 88 K C 0.403 177.040 176.600 0.060 0.000 1.018 88 K CA 0.078 56.401 56.287 0.061 0.000 0.981 88 K CB 0.435 32.965 32.500 0.050 0.000 0.933 88 K HN 0.789 9.039 8.250 -0.000 0.000 0.477 89 T N 3.785 118.378 114.554 0.065 0.000 2.813 89 T HA 0.131 4.474 4.350 -0.012 0.000 0.297 89 T C -0.008 174.726 174.700 0.057 0.000 1.036 89 T CA -0.499 61.639 62.100 0.063 0.000 1.044 89 T CB 0.164 69.071 68.868 0.065 0.000 0.993 89 T HN 0.662 8.902 8.240 -0.000 0.000 0.535 90 N N 1.923 120.659 118.700 0.060 0.000 2.374 90 N HA 0.061 4.794 4.740 -0.012 0.000 0.241 90 N C 1.487 177.030 175.510 0.055 0.000 1.262 90 N CA 0.065 53.151 53.050 0.060 0.000 0.880 90 N CB 0.300 38.830 38.487 0.071 0.000 1.105 90 N HN 0.528 8.908 8.380 -0.000 0.000 0.438 91 R N -0.549 119.981 120.500 0.050 0.000 2.096 91 R HA -0.121 4.212 4.340 -0.012 0.000 0.240 91 R C 0.828 177.155 176.300 0.046 0.000 1.139 91 R CA 1.555 57.680 56.100 0.043 0.000 0.952 91 R CB -0.309 30.012 30.300 0.035 0.000 0.854 91 R HN 0.793 9.063 8.270 -0.000 0.000 0.436 92 T N -2.885 111.703 114.554 0.057 0.000 2.930 92 T HA 0.193 4.536 4.350 -0.012 0.000 0.290 92 T C 0.412 175.163 174.700 0.085 0.000 1.052 92 T CA -0.975 61.165 62.100 0.068 0.000 1.017 92 T CB 2.318 71.227 68.868 0.069 0.000 1.137 92 T HN -0.139 8.101 8.240 -0.000 0.000 0.511 93 Q N 0.358 120.210 119.800 0.085 0.000 2.320 93 Q HA 0.091 4.424 4.340 -0.012 0.000 0.201 93 Q C 0.465 176.513 176.000 0.080 0.000 0.910 93 Q CA 0.030 55.876 55.803 0.072 0.000 0.946 93 Q CB -0.473 28.295 28.738 0.050 0.000 1.062 93 Q HN 0.738 9.008 8.270 -0.000 0.000 0.503 94 H N 0.535 119.617 119.070 0.020 0.000 2.815 94 H HA 0.134 4.684 4.556 -0.010 0.000 0.350 94 H C -0.342 174.997 175.328 0.019 0.000 1.080 94 H CA 0.086 56.143 56.048 0.016 0.000 1.433 94 H CB 0.519 30.292 29.762 0.019 0.000 1.432 94 H HN 0.032 8.312 8.280 -0.000 0.000 0.592 95 I N 5.486 125.865 120.570 -0.318 0.000 2.352 95 I HA 0.031 4.194 4.170 -0.012 0.000 0.290 95 I C 0.243 176.388 176.117 0.047 0.000 1.036 95 I CA 0.167 61.389 61.300 -0.131 0.000 1.336 95 I CB 0.700 38.569 38.000 -0.219 0.000 1.407 95 I HN 0.567 8.777 8.210 -0.000 0.000 0.497 96 D N 3.679 124.186 120.400 0.179 0.000 2.857 96 D HA 0.155 4.788 4.640 -0.012 0.000 0.227 96 D C -0.956 175.491 176.300 0.245 0.000 1.192 96 D CA -0.571 53.561 54.000 0.220 0.000 0.857 96 D CB 1.800 42.723 40.800 0.204 0.000 1.645 96 D HN 0.189 8.559 8.370 -0.000 0.000 0.482 97 T N 1.813 116.477 114.554 0.183 0.000 2.738 97 T HA 0.145 4.488 4.350 -0.012 0.000 0.293 97 T C 1.561 176.262 174.700 0.002 0.000 0.913 97 T CA -0.360 61.772 62.100 0.053 0.000 1.103 97 T CB 1.141 70.001 68.868 -0.013 0.000 0.880 97 T HN 0.309 8.549 8.240 -0.000 0.000 0.526 98 V N 2.640 122.535 119.914 -0.032 0.000 2.453 98 V HA 0.011 4.124 4.120 -0.012 0.000 0.247 98 V C 0.861 176.930 176.094 -0.042 0.000 1.048 98 V CA 1.286 63.576 62.300 -0.016 0.000 1.049 98 V CB -0.155 31.667 31.823 -0.001 0.000 0.672 98 V HN 0.725 8.915 8.190 -0.000 0.000 0.457 99 Q N -0.310 119.434 119.800 -0.093 0.000 2.386 99 Q HA 0.351 4.684 4.340 -0.012 0.000 0.274 99 Q C -1.513 174.419 176.000 -0.112 0.000 1.011 99 Q CA -0.402 55.358 55.803 -0.073 0.000 0.867 99 Q CB 1.527 30.239 28.738 -0.042 0.000 1.409 99 Q HN 0.286 8.556 8.270 -0.000 0.000 0.395 100 N N 1.680 120.337 118.700 -0.073 0.000 2.419 100 N HA 0.518 5.251 4.740 -0.012 0.000 0.277 100 N C -1.247 174.248 175.510 -0.025 0.000 1.006 100 N CA -0.163 52.846 53.050 -0.067 0.000 0.923 100 N CB 1.787 40.245 38.487 -0.048 0.000 1.140 100 N HN 0.314 8.694 8.380 -0.000 0.000 0.488 101 V N 2.291 122.206 119.914 0.002 0.000 2.540 101 V HA 0.262 4.375 4.120 -0.012 0.000 0.302 101 V C 0.405 176.524 176.094 0.042 0.000 1.035 101 V CA -1.137 61.183 62.300 0.033 0.000 0.873 101 V CB 2.037 33.905 31.823 0.074 0.000 0.992 101 V HN 0.624 8.814 8.190 -0.000 0.000 0.428 102 N N 3.536 122.246 118.700 0.018 0.000 2.497 102 N HA 0.204 4.937 4.740 -0.012 0.000 0.268 102 N C -1.105 174.406 175.510 0.000 0.000 1.171 102 N CA -0.397 52.660 53.050 0.013 0.000 0.948 102 N CB 1.209 39.697 38.487 0.001 0.000 1.069 102 N HN 0.543 8.923 8.380 -0.000 0.000 0.460 103 L N 5.076 126.302 121.223 0.004 0.000 2.298 103 L HA 0.467 4.801 4.340 -0.012 0.000 0.284 103 L C -1.513 175.342 176.870 -0.025 0.000 1.013 103 L CA -0.633 54.186 54.840 -0.036 0.000 0.824 103 L CB 1.178 43.206 42.059 -0.053 0.000 1.221 103 L HN 0.463 8.693 8.230 -0.000 0.000 0.418 104 L N 6.309 127.502 121.223 -0.050 0.000 2.319 104 L HA 0.621 4.954 4.340 -0.012 0.000 0.281 104 L C -1.075 175.743 176.870 -0.085 0.000 1.005 104 L CA -0.217 54.595 54.840 -0.048 0.000 0.828 104 L CB 1.782 43.815 42.059 -0.043 0.000 1.227 104 L HN 0.416 8.646 8.230 -0.000 0.000 0.415 105 V N 3.763 123.613 119.914 -0.106 0.000 2.357 105 V HA 0.531 4.644 4.120 -0.012 0.000 0.284 105 V C -0.134 175.866 176.094 -0.156 0.000 1.018 105 V CA -0.434 61.742 62.300 -0.207 0.000 0.841 105 V CB 1.447 32.986 31.823 -0.474 0.000 0.991 105 V HN 0.807 8.998 8.190 -0.000 0.000 0.437 106 S N 4.401 120.023 115.700 -0.129 0.000 2.498 106 S HA 0.543 5.006 4.470 -0.012 0.000 0.324 106 S C -0.386 174.165 174.600 -0.082 0.000 1.071 106 S CA -0.699 57.452 58.200 -0.082 0.000 1.113 106 S CB 1.175 64.338 63.200 -0.063 0.000 0.976 106 S HN 0.700 9.010 8.310 -0.000 0.000 0.462 107 K N 2.329 122.694 120.400 -0.058 0.000 2.339 107 K HA 0.390 4.703 4.320 -0.012 0.000 0.264 107 K C -0.090 176.496 176.600 -0.023 0.000 0.986 107 K CA -0.333 55.929 56.287 -0.041 0.000 0.866 107 K CB 1.291 33.780 32.500 -0.018 0.000 1.103 107 K HN 0.424 8.674 8.250 -0.000 0.000 0.441 108 S N 2.851 118.534 115.700 -0.028 0.000 2.525 108 S HA 0.044 4.507 4.470 -0.012 0.000 0.285 108 S C 0.444 175.036 174.600 -0.013 0.000 1.283 108 S CA 0.244 58.431 58.200 -0.023 0.000 1.072 108 S CB -0.110 63.071 63.200 -0.032 0.000 0.867 108 S HN 0.718 9.028 8.310 -0.000 0.000 0.492 109 T N 1.695 116.245 114.554 -0.006 0.000 3.228 109 T HA 0.611 4.954 4.350 -0.012 0.000 0.278 109 T C 0.602 175.305 174.700 0.004 0.000 1.014 109 T CA 0.053 62.154 62.100 0.002 0.000 0.904 109 T CB -0.099 68.774 68.868 0.008 0.000 1.110 109 T HN 1.135 9.375 8.240 -0.000 0.000 0.541 110 G N 0.726 109.523 108.800 -0.004 0.000 2.356 110 G HA2 0.223 4.176 3.960 -0.012 0.000 0.300 110 G HA3 0.223 4.176 3.960 -0.012 0.000 0.300 110 G C -0.175 174.704 174.900 -0.035 0.000 1.331 110 G CA -0.145 44.954 45.100 -0.002 0.000 0.905 110 G HN 0.027 8.317 8.290 -0.000 0.000 0.587 111 Q N -1.105 118.662 119.800 -0.054 0.000 2.084 111 Q HA -0.004 4.329 4.340 -0.012 0.000 0.202 111 Q C 1.781 177.564 176.000 -0.361 0.000 0.978 111 Q CA 2.704 58.377 55.803 -0.216 0.000 0.844 111 Q CB -0.149 28.433 28.738 -0.261 0.000 0.898 111 Q HN 0.726 8.996 8.270 -0.000 0.000 0.426 112 H N -1.912 117.154 119.070 -0.007 0.000 2.893 112 H HA 0.277 4.826 4.556 -0.012 0.000 0.270 112 H C -0.632 174.692 175.328 -0.007 0.000 1.095 112 H CA 0.453 56.497 56.048 -0.007 0.000 1.186 112 H CB 0.790 30.548 29.762 -0.006 0.000 1.562 112 H HN 0.142 8.422 8.280 -0.000 0.000 0.536 113 T N -1.354 113.242 114.554 0.069 0.000 2.887 113 T HA 0.664 5.007 4.350 -0.012 0.000 0.288 113 T C -0.105 174.603 174.700 0.014 0.000 1.021 113 T CA -0.799 61.328 62.100 0.044 0.000 1.000 113 T CB 2.646 71.539 68.868 0.041 0.000 1.034 113 T HN -0.030 8.210 8.240 -0.000 0.000 0.467 114 T N 1.594 116.154 114.554 0.011 0.000 2.912 114 T HA 0.627 4.970 4.350 -0.012 0.000 0.299 114 T C -0.704 173.998 174.700 0.005 0.000 1.052 114 T CA -0.800 61.299 62.100 -0.000 0.000 0.996 114 T CB 1.754 70.616 68.868 -0.009 0.000 1.070 114 T HN 0.822 9.062 8.240 -0.000 0.000 0.465 115 S N 1.881 117.584 115.700 0.005 0.000 2.437 115 S HA 0.671 5.134 4.470 -0.012 0.000 0.305 115 S C -0.707 173.899 174.600 0.010 0.000 1.109 115 S CA -0.524 57.684 58.200 0.015 0.000 1.099 115 S CB 0.370 63.587 63.200 0.027 0.000 1.004 115 S HN 0.493 8.803 8.310 -0.000 0.000 0.475 116 V N 5.138 125.059 119.914 0.013 0.000 2.409 116 V HA 0.473 4.586 4.120 -0.012 0.000 0.291 116 V C -0.058 176.053 176.094 0.028 0.000 1.020 116 V CA -0.635 61.667 62.300 0.004 0.000 0.848 116 V CB 1.774 33.595 31.823 -0.004 0.000 0.990 116 V HN 0.955 9.145 8.190 -0.000 0.000 0.430 117 T N 3.303 117.879 114.554 0.038 0.000 2.771 117 T HA 0.452 4.795 4.350 -0.012 0.000 0.281 117 T C -0.127 174.606 174.700 0.054 0.000 0.982 117 T CA -0.339 61.812 62.100 0.084 0.000 0.978 117 T CB 1.404 70.400 68.868 0.213 0.000 0.930 117 T HN 0.637 8.877 8.240 -0.000 0.000 0.447 118 S N 2.957 118.688 115.700 0.053 0.000 2.659 118 S HA 0.739 5.202 4.470 -0.012 0.000 0.312 118 S C -0.277 174.354 174.600 0.051 0.000 1.114 118 S CA -0.579 57.643 58.200 0.037 0.000 1.063 118 S CB 0.414 63.626 63.200 0.020 0.000 0.996 118 S HN 0.922 9.232 8.310 -0.000 0.000 0.478 119 T N 1.661 116.249 114.554 0.055 0.000 2.841 119 T HA 0.535 4.878 4.350 -0.012 0.000 0.296 119 T C -0.732 173.998 174.700 0.050 0.000 1.166 119 T CA -0.995 61.141 62.100 0.061 0.000 1.007 119 T CB 1.159 70.084 68.868 0.094 0.000 1.253 119 T HN 0.506 8.746 8.240 -0.000 0.000 0.511 120 N N 0.046 118.770 118.700 0.040 0.000 2.472 120 N HA 0.353 5.086 4.740 -0.012 0.000 0.277 120 N C -1.747 173.789 175.510 0.043 0.000 1.081 120 N CA -0.451 52.617 53.050 0.030 0.000 0.973 120 N CB 0.477 38.964 38.487 0.000 0.000 1.105 120 N HN 0.699 9.079 8.380 -0.000 0.000 0.470 121 Y N 2.618 122.862 120.300 -0.093 0.000 2.334 121 Y HA 0.419 4.962 4.550 -0.011 0.000 0.336 121 Y C -0.543 175.265 175.900 -0.154 0.000 0.960 121 Y CA -0.620 57.403 58.100 -0.129 0.000 1.164 121 Y CB 0.884 39.264 38.460 -0.134 0.000 1.155 121 Y HN 0.466 8.746 8.280 -0.000 0.000 0.478 122 S N 6.426 121.779 115.700 -0.578 0.000 2.537 122 S HA 0.511 4.974 4.470 -0.012 0.000 0.275 122 S C -0.613 173.501 174.600 -0.810 0.000 1.272 122 S CA -0.502 57.311 58.200 -0.646 0.000 1.050 122 S CB 0.377 63.149 63.200 -0.715 0.000 0.961 122 S HN 0.438 8.748 8.310 -0.000 0.000 0.496 123 I N 3.237 123.430 120.570 -0.630 0.000 2.406 123 I HA 0.262 4.425 4.170 -0.012 0.000 0.290 123 I C -0.554 175.265 176.117 -0.496 0.000 0.999 123 I CA -0.352 60.697 61.300 -0.418 0.000 1.124 123 I CB 1.156 39.067 38.000 -0.148 0.000 1.289 123 I HN 0.773 8.983 8.210 -0.000 0.000 0.441 124 Y N 3.723 123.996 120.300 -0.045 0.000 2.500 124 Y HA 0.301 4.846 4.550 -0.009 0.000 0.246 124 Y C 0.620 176.520 175.900 -0.000 0.000 1.146 124 Y CA -0.303 57.784 58.100 -0.021 0.000 1.230 124 Y CB 0.704 39.148 38.460 -0.027 0.000 1.214 124 Y HN 0.331 8.611 8.280 -0.000 0.000 0.526 125 K N 0.861 121.327 120.400 0.109 0.000 2.244 125 K HA 0.200 4.513 4.320 -0.012 0.000 0.260 125 K C 0.158 176.785 176.600 0.045 0.000 0.951 125 K CA -0.349 55.985 56.287 0.079 0.000 0.826 125 K CB 1.739 34.280 32.500 0.068 0.000 1.108 125 K HN 0.165 8.415 8.250 -0.000 0.000 0.433 126 E N 1.366 121.594 120.200 0.048 0.000 2.110 126 E HA -0.175 4.168 4.350 -0.012 0.000 0.193 126 E C -0.037 176.579 176.600 0.028 0.000 0.988 126 E CA 1.134 57.555 56.400 0.035 0.000 0.804 126 E CB 0.311 30.035 29.700 0.040 0.000 0.745 126 E HN 0.428 8.788 8.360 -0.000 0.000 0.458 127 E N 0.674 120.892 120.200 0.030 0.000 2.191 127 E HA 0.425 4.768 4.350 -0.012 0.000 0.263 127 E C -1.536 175.074 176.600 0.015 0.000 0.881 127 E CA -0.360 56.053 56.400 0.022 0.000 0.757 127 E CB 1.289 31.006 29.700 0.028 0.000 1.147 127 E HN 0.012 8.372 8.360 -0.000 0.000 0.414 128 I N 3.405 123.973 120.570 -0.004 0.000 2.545 128 I HA 0.350 4.513 4.170 -0.012 0.000 0.292 128 I C -0.464 175.624 176.117 -0.049 0.000 1.040 128 I CA -0.568 60.718 61.300 -0.024 0.000 1.068 128 I CB 1.812 39.795 38.000 -0.028 0.000 1.251 128 I HN 0.656 8.866 8.210 -0.000 0.000 0.424 129 S N 6.543 122.206 115.700 -0.061 0.000 2.592 129 S HA 0.311 4.774 4.470 -0.012 0.000 0.271 129 S C 1.089 175.625 174.600 -0.107 0.000 1.326 129 S CA -0.762 57.398 58.200 -0.067 0.000 1.024 129 S CB 1.469 64.649 63.200 -0.033 0.000 0.921 129 S HN 0.720 9.030 8.310 -0.000 0.000 0.527 130 L N 1.164 122.333 121.223 -0.091 0.000 2.131 130 L HA -0.123 4.210 4.340 -0.012 0.000 0.210 130 L C 2.775 179.547 176.870 -0.164 0.000 1.092 130 L CA 1.433 56.233 54.840 -0.066 0.000 0.759 130 L CB -0.618 41.442 42.059 0.002 0.000 0.903 130 L HN 0.871 9.101 8.230 -0.000 0.000 0.435 131 K N 0.654 120.982 120.400 -0.120 0.000 2.020 131 K HA -0.290 4.023 4.320 -0.012 0.000 0.212 131 K C 2.061 178.496 176.600 -0.274 0.000 1.050 131 K CA 2.155 58.388 56.287 -0.092 0.000 0.929 131 K CB -0.049 32.473 32.500 0.036 0.000 0.714 131 K HN 0.290 8.540 8.250 -0.000 0.000 0.443 132 E N 0.406 120.289 120.200 -0.530 0.000 2.047 132 E HA -0.184 4.159 4.350 -0.012 0.000 0.191 132 E C 2.216 178.481 176.600 -0.557 0.000 0.987 132 E CA 1.021 56.757 56.400 -1.107 0.000 0.799 132 E CB -0.045 29.109 29.700 -0.909 0.000 0.752 132 E HN 0.288 8.648 8.360 -0.000 0.000 0.449 133 L N 0.765 121.818 121.223 -0.283 0.000 1.989 133 L HA -0.232 4.101 4.340 -0.012 0.000 0.211 133 L C 2.460 179.231 176.870 -0.165 0.000 1.071 133 L CA 1.865 56.641 54.840 -0.107 0.000 0.749 133 L CB -0.462 41.634 42.059 0.061 0.000 0.890 133 L HN 0.281 8.511 8.230 -0.000 0.000 0.431 134 D N -0.472 119.665 120.400 -0.439 0.000 2.092 134 D HA -0.291 4.342 4.640 -0.012 0.000 0.193 134 D C 2.049 178.228 176.300 -0.202 0.000 0.994 134 D CA 1.519 55.101 54.000 -0.696 0.000 0.828 134 D CB -0.146 40.060 40.800 -0.990 0.000 0.963 134 D HN 0.193 8.563 8.370 -0.000 0.000 0.450 135 F N 0.883 120.752 119.950 -0.135 0.000 2.102 135 F HA -0.046 4.473 4.527 -0.013 0.000 0.298 135 F C 2.206 178.036 175.800 0.050 0.000 1.105 135 F CA 1.420 59.499 58.000 0.132 0.000 1.239 135 F CB 0.011 39.144 39.000 0.222 0.000 0.991 135 F HN -0.108 8.192 8.300 -0.000 0.000 0.474 136 K N -0.027 120.433 120.400 0.101 0.000 2.103 136 K HA -0.109 4.204 4.320 -0.012 0.000 0.204 136 K C 2.109 178.766 176.600 0.094 0.000 1.052 136 K CA 1.259 57.604 56.287 0.096 0.000 0.945 136 K CB -0.344 32.180 32.500 0.039 0.000 0.722 136 K HN 0.341 8.591 8.250 -0.000 0.000 0.443 137 L N 0.726 121.943 121.223 -0.011 0.000 2.017 137 L HA -0.187 4.146 4.340 -0.012 0.000 0.208 137 L C 2.569 179.402 176.870 -0.062 0.000 1.073 137 L CA 1.359 56.152 54.840 -0.078 0.000 0.745 137 L CB -0.324 41.642 42.059 -0.154 0.000 0.894 137 L HN 0.170 8.400 8.230 -0.000 0.000 0.432 138 R N -0.164 120.225 120.500 -0.186 0.000 2.075 138 R HA -0.188 4.145 4.340 -0.012 0.000 0.232 138 R C 2.295 178.483 176.300 -0.187 0.000 1.126 138 R CA 1.124 57.045 56.100 -0.298 0.000 0.963 138 R CB -0.267 29.634 30.300 -0.665 0.000 0.858 138 R HN 0.079 8.349 8.270 -0.000 0.000 0.435 139 K N 0.597 120.916 120.400 -0.135 0.000 2.063 139 K HA -0.213 4.100 4.320 -0.012 0.000 0.208 139 K C 1.869 178.493 176.600 0.040 0.000 1.048 139 K CA 1.812 58.079 56.287 -0.034 0.000 0.928 139 K CB -0.503 32.018 32.500 0.034 0.000 0.713 139 K HN 0.238 8.488 8.250 -0.000 0.000 0.442 140 H N -0.089 118.993 119.070 0.020 0.000 2.352 140 H HA -0.043 4.505 4.556 -0.013 0.000 0.299 140 H C 1.664 177.022 175.328 0.050 0.000 1.097 140 H CA 2.338 58.423 56.048 0.063 0.000 1.311 140 H CB -0.132 29.701 29.762 0.118 0.000 1.377 140 H HN 0.190 8.470 8.280 -0.000 0.000 0.504 141 L N -0.481 120.717 121.223 -0.042 0.000 2.093 141 L HA -0.100 4.233 4.340 -0.012 0.000 0.208 141 L C 2.511 179.307 176.870 -0.122 0.000 1.085 141 L CA 0.979 55.780 54.840 -0.066 0.000 0.755 141 L CB -0.329 41.660 42.059 -0.117 0.000 0.904 141 L HN 0.329 8.559 8.230 -0.000 0.000 0.435 142 I N 0.040 120.528 120.570 -0.136 0.000 2.179 142 I HA -0.296 3.867 4.170 -0.012 0.000 0.242 142 I C 2.111 178.175 176.117 -0.088 0.000 1.088 142 I CA 1.348 62.589 61.300 -0.099 0.000 1.357 142 I CB -0.257 37.723 38.000 -0.033 0.000 1.051 142 I HN 0.264 8.474 8.210 -0.000 0.000 0.409 143 D N 0.517 120.854 120.400 -0.104 0.000 2.123 143 D HA -0.107 4.526 4.640 -0.012 0.000 0.200 143 D C 2.054 178.241 176.300 -0.188 0.000 0.976 143 D CA 1.129 55.065 54.000 -0.108 0.000 0.831 143 D CB -0.020 40.736 40.800 -0.073 0.000 0.974 143 D HN 0.201 8.571 8.370 -0.000 0.000 0.469 144 K N -0.449 119.754 120.400 -0.330 0.000 2.367 144 K HA 0.105 4.418 4.320 -0.012 0.000 0.195 144 K C 0.690 176.887 176.600 -0.673 0.000 1.060 144 K CA 0.384 56.367 56.287 -0.508 0.000 1.022 144 K CB 0.631 32.704 32.500 -0.713 0.000 0.894 144 K HN 0.308 8.558 8.250 -0.000 0.000 0.540 145 H N 0.699 119.661 119.070 -0.180 0.000 2.750 145 H HA 0.122 4.671 4.556 -0.011 0.000 0.252 145 H C -0.732 174.524 175.328 -0.119 0.000 1.176 145 H CA -0.296 55.673 56.048 -0.131 0.000 0.987 145 H CB 0.743 30.426 29.762 -0.132 0.000 1.810 145 H HN 0.061 8.341 8.280 -0.000 0.000 0.630 146 D N 0.639 121.011 120.400 -0.047 0.000 2.911 146 D HA -0.192 4.441 4.640 -0.012 0.000 0.227 146 D C 0.397 176.657 176.300 -0.067 0.000 1.164 146 D CA 0.296 54.271 54.000 -0.042 0.000 0.782 146 D CB -1.445 39.341 40.800 -0.022 0.000 1.094 146 D HN 0.277 8.647 8.370 -0.000 0.000 0.425 147 L N 0.210 121.348 121.223 -0.141 0.000 2.540 147 L HA -0.058 4.275 4.340 -0.012 0.000 0.276 147 L C 0.620 177.342 176.870 -0.248 0.000 1.212 147 L CA 0.466 55.105 54.840 -0.335 0.000 0.893 147 L CB -0.328 41.398 42.059 -0.556 0.000 1.138 147 L HN 0.232 8.462 8.230 -0.000 0.000 0.491 148 Y N 1.771 122.070 120.300 -0.002 0.000 4.798 148 Y HA -0.337 4.206 4.550 -0.012 0.000 0.237 148 Y C 1.544 177.452 175.900 0.014 0.000 1.017 148 Y CA 1.067 59.175 58.100 0.012 0.000 2.010 148 Y CB -2.157 36.320 38.460 0.028 0.000 1.582 148 Y HN 0.661 8.941 8.280 -0.000 0.000 0.621 149 K N 0.200 120.667 120.400 0.111 0.000 2.305 149 K HA 0.082 4.395 4.320 -0.012 0.000 0.199 149 K C 1.056 177.694 176.600 0.064 0.000 1.047 149 K CA 1.331 57.661 56.287 0.072 0.000 0.976 149 K CB 0.248 32.769 32.500 0.034 0.000 0.765 149 K HN 0.534 8.784 8.250 -0.000 0.000 0.474 150 T N -1.569 113.027 114.554 0.071 0.000 2.887 150 T HA 0.276 4.619 4.350 -0.012 0.000 0.292 150 T C -0.618 174.136 174.700 0.090 0.000 1.087 150 T CA -1.169 60.967 62.100 0.059 0.000 1.009 150 T CB 1.829 70.717 68.868 0.033 0.000 1.203 150 T HN -0.213 8.027 8.240 -0.000 0.000 0.518 151 E N 2.554 122.797 120.200 0.071 0.000 2.480 151 E HA 0.127 4.470 4.350 -0.012 0.000 0.258 151 E C -1.371 175.282 176.600 0.088 0.000 0.984 151 E CA -1.882 54.567 56.400 0.082 0.000 0.930 151 E CB 0.714 30.445 29.700 0.052 0.000 0.936 151 E HN 0.471 8.831 8.360 -0.000 0.000 0.466 152 P HA -0.134 4.286 4.420 -0.000 0.000 0.223 152 P C 0.055 177.391 177.300 0.061 0.000 1.151 152 P CA 0.681 63.849 63.100 0.113 0.000 0.787 152 P CB 0.531 32.375 31.700 0.240 0.000 0.788 153 K N -0.219 120.216 120.400 0.059 0.000 1.699 153 K HA -0.217 4.096 4.320 -0.012 0.000 0.127 153 K C 1.017 177.637 176.600 0.032 0.000 1.157 153 K CA 2.154 58.462 56.287 0.036 0.000 0.341 153 K CB -2.118 30.394 32.500 0.019 0.000 0.645 153 K HN 0.306 8.556 8.250 -0.000 0.000 0.848 154 D N 1.413 121.822 120.400 0.015 0.000 2.340 154 D HA 0.024 4.657 4.640 -0.012 0.000 0.220 154 D C -0.168 176.133 176.300 0.002 0.000 1.039 154 D CA 0.154 54.160 54.000 0.009 0.000 0.866 154 D CB -0.003 40.795 40.800 -0.003 0.000 0.913 154 D HN 0.222 8.592 8.370 -0.000 0.000 0.523 155 S N 0.903 116.602 115.700 -0.001 0.000 2.558 155 S HA 0.134 4.597 4.470 -0.012 0.000 0.291 155 S C 0.369 174.964 174.600 -0.009 0.000 1.306 155 S CA 0.031 58.218 58.200 -0.021 0.000 1.056 155 S CB 0.561 63.737 63.200 -0.041 0.000 0.836 155 S HN 0.496 8.806 8.310 -0.000 0.000 0.504 156 K N 1.164 121.549 120.400 -0.025 0.000 2.556 156 K HA 0.592 4.905 4.320 -0.012 0.000 0.274 156 K C -1.682 174.900 176.600 -0.031 0.000 0.966 156 K CA -0.884 55.399 56.287 -0.007 0.000 0.865 156 K CB 1.083 33.579 32.500 -0.007 0.000 1.444 156 K HN 0.434 8.684 8.250 -0.000 0.000 0.433 157 I N 1.493 122.060 120.570 -0.005 0.000 2.377 157 I HA 0.412 4.575 4.170 -0.012 0.000 0.293 157 I C -0.233 175.804 176.117 -0.134 0.000 0.987 157 I CA -0.868 60.404 61.300 -0.048 0.000 1.185 157 I CB 1.747 39.780 38.000 0.055 0.000 1.341 157 I HN 0.510 8.720 8.210 -0.000 0.000 0.455 158 R N 5.299 125.719 120.500 -0.134 0.000 2.393 158 R HA 0.640 4.973 4.340 -0.012 0.000 0.315 158 R C -1.601 174.625 176.300 -0.124 0.000 0.952 158 R CA -0.562 55.456 56.100 -0.137 0.000 0.842 158 R CB 1.760 31.995 30.300 -0.108 0.000 1.163 158 R HN 0.437 8.707 8.270 -0.000 0.000 0.450 159 V N 3.943 123.782 119.914 -0.124 0.000 2.370 159 V HA 0.350 4.463 4.120 -0.012 0.000 0.283 159 V C -0.208 175.921 176.094 0.057 0.000 1.023 159 V CA -0.407 61.864 62.300 -0.049 0.000 0.857 159 V CB 1.805 33.586 31.823 -0.070 0.000 0.985 159 V HN 0.786 8.976 8.190 -0.000 0.000 0.443 160 T N 6.390 120.968 114.554 0.041 0.000 2.807 160 T HA 0.576 4.919 4.350 -0.012 0.000 0.279 160 T C -0.090 174.648 174.700 0.063 0.000 0.993 160 T CA -0.617 61.520 62.100 0.061 0.000 0.970 160 T CB 1.308 70.189 68.868 0.022 0.000 0.950 160 T HN 0.348 8.588 8.240 -0.000 0.000 0.441 161 M N 2.130 121.776 119.600 0.077 0.000 2.283 161 M HA 0.401 4.874 4.480 -0.012 0.000 0.314 161 M C 1.558 177.883 176.300 0.042 0.000 1.153 161 M CA -0.598 54.743 55.300 0.069 0.000 1.084 161 M CB 0.509 33.160 32.600 0.085 0.000 1.468 161 M HN 0.575 8.865 8.290 -0.000 0.000 0.474 162 K N 1.069 121.490 120.400 0.034 0.000 2.113 162 K HA -0.208 4.105 4.320 -0.012 0.000 0.208 162 K C 1.198 177.809 176.600 0.019 0.000 1.047 162 K CA 1.927 58.227 56.287 0.022 0.000 0.928 162 K CB -0.283 32.228 32.500 0.019 0.000 0.716 162 K HN 0.654 8.904 8.250 -0.000 0.000 0.446 163 N N -0.388 118.325 118.700 0.022 0.000 2.461 163 N HA -0.033 4.700 4.740 -0.012 0.000 0.188 163 N C 1.016 176.537 175.510 0.019 0.000 1.134 163 N CA 1.184 54.243 53.050 0.016 0.000 0.878 163 N CB 0.547 39.041 38.487 0.013 0.000 0.972 163 N HN 0.290 8.670 8.380 -0.000 0.000 0.456 164 G N -0.665 108.152 108.800 0.029 0.000 2.195 164 G HA2 -0.240 3.713 3.960 -0.012 0.000 0.224 164 G HA3 -0.240 3.713 3.960 -0.012 0.000 0.224 164 G C -0.501 174.454 174.900 0.091 0.000 0.990 164 G CA 0.070 45.198 45.100 0.047 0.000 0.639 164 G HN 0.456 8.746 8.290 -0.000 0.000 0.514 165 D N 0.409 120.828 120.400 0.031 0.000 2.378 165 D HA 0.574 5.207 4.640 -0.012 0.000 0.238 165 D C 0.448 176.714 176.300 -0.056 0.000 1.180 165 D CA 0.930 54.884 54.000 -0.075 0.000 0.895 165 D CB 0.368 41.069 40.800 -0.165 0.000 1.192 165 D HN 0.620 8.990 8.370 -0.000 0.000 0.438 166 F N -1.110 118.599 119.950 -0.401 0.000 2.631 166 F HA 0.619 5.139 4.527 -0.012 0.000 0.308 166 F C -1.763 173.590 175.800 -0.744 0.000 1.097 166 F CA -1.210 56.549 58.000 -0.402 0.000 0.952 166 F CB 0.918 39.781 39.000 -0.228 0.000 1.307 166 F HN 0.155 8.455 8.300 -0.000 0.000 0.450 167 Y N -0.160 120.127 120.300 -0.020 0.000 2.512 167 Y HA 0.712 5.255 4.550 -0.011 0.000 0.348 167 Y C -0.365 175.397 175.900 -0.230 0.000 0.990 167 Y CA -1.130 56.867 58.100 -0.172 0.000 1.033 167 Y CB 2.766 41.050 38.460 -0.294 0.000 1.259 167 Y HN 0.745 9.025 8.280 -0.000 0.000 0.461 168 T N 3.408 117.917 114.554 -0.074 0.000 2.841 168 T HA 0.544 4.887 4.350 -0.012 0.000 0.283 168 T C -1.374 173.236 174.700 -0.150 0.000 1.000 168 T CA -0.671 61.340 62.100 -0.149 0.000 0.977 168 T CB 0.394 69.276 68.868 0.024 0.000 0.979 168 T HN 0.202 8.442 8.240 -0.000 0.000 0.446 169 F N 1.978 121.964 119.950 0.059 0.000 2.375 169 F HA 0.365 4.886 4.527 -0.011 0.000 0.361 169 F C 0.847 176.658 175.800 0.017 0.000 1.117 169 F CA -1.546 56.474 58.000 0.033 0.000 1.037 169 F CB 0.630 39.629 39.000 -0.002 0.000 1.192 169 F HN 0.457 8.757 8.300 -0.000 0.000 0.452 170 E N 3.362 123.688 120.200 0.210 0.000 2.257 170 E HA 0.112 4.455 4.350 -0.012 0.000 0.278 170 E C 0.276 176.955 176.600 0.132 0.000 1.049 170 E CA -0.342 56.137 56.400 0.131 0.000 0.876 170 E CB 1.194 30.959 29.700 0.109 0.000 1.035 170 E HN 0.464 8.824 8.360 -0.000 0.000 0.419 171 L N 3.333 124.620 121.223 0.105 0.000 2.492 171 L HA -0.091 4.242 4.340 -0.012 0.000 0.223 171 L C 1.610 178.618 176.870 0.229 0.000 1.132 171 L CA 0.995 55.913 54.840 0.131 0.000 0.850 171 L CB -0.814 41.267 42.059 0.035 0.000 0.966 171 L HN 0.510 8.740 8.230 -0.000 0.000 0.454 172 N N 0.661 119.452 118.700 0.151 0.000 2.461 172 N HA -0.083 4.650 4.740 -0.012 0.000 0.188 172 N C 0.147 175.708 175.510 0.085 0.000 1.134 172 N CA 0.221 53.348 53.050 0.128 0.000 0.878 172 N CB -0.014 38.525 38.487 0.086 0.000 0.972 172 N HN 0.460 8.840 8.380 -0.000 0.000 0.456 173 K N -1.357 119.104 120.400 0.102 0.000 2.533 173 K HA 0.398 4.711 4.320 -0.012 0.000 0.272 173 K C -1.037 175.635 176.600 0.120 0.000 0.985 173 K CA -0.982 55.349 56.287 0.074 0.000 0.876 173 K CB 1.711 34.245 32.500 0.057 0.000 1.452 173 K HN -0.265 7.985 8.250 -0.000 0.000 0.439 174 K N 0.779 121.222 120.400 0.073 0.000 2.336 174 K HA 0.068 4.381 4.320 -0.012 0.000 0.262 174 K C 0.032 176.694 176.600 0.103 0.000 0.992 174 K CA -0.600 55.746 56.287 0.099 0.000 0.927 174 K CB 0.248 32.624 32.500 -0.207 0.000 0.956 174 K HN 0.474 8.724 8.250 -0.000 0.000 0.495 175 L N 2.746 124.064 121.223 0.159 0.000 2.540 175 L HA -0.078 4.255 4.340 -0.012 0.000 0.276 175 L C -0.461 176.415 176.870 0.011 0.000 1.212 175 L CA 0.541 55.426 54.840 0.076 0.000 0.893 175 L CB 0.335 42.413 42.059 0.033 0.000 1.138 175 L HN 0.426 8.656 8.230 -0.000 0.000 0.491 176 Q N 2.268 122.057 119.800 -0.018 0.000 2.330 176 Q HA 0.060 4.393 4.340 -0.012 0.000 0.279 176 Q C 1.543 177.488 176.000 -0.092 0.000 1.024 176 Q CA 0.956 56.729 55.803 -0.051 0.000 0.900 176 Q CB 0.610 29.296 28.738 -0.087 0.000 1.221 176 Q HN 0.841 9.111 8.270 -0.000 0.000 0.396 177 T N -1.436 113.112 114.554 -0.009 0.000 2.737 177 T HA -0.291 4.052 4.350 -0.012 0.000 0.269 177 T C 1.470 176.186 174.700 0.027 0.000 1.040 177 T CA 1.905 64.015 62.100 0.017 0.000 1.142 177 T CB -0.454 68.443 68.868 0.047 0.000 0.861 177 T HN 0.836 9.076 8.240 -0.000 0.000 0.456 178 H N 1.485 120.583 119.070 0.047 0.000 2.518 178 H HA 0.084 4.633 4.556 -0.011 0.000 0.289 178 H C 1.919 177.281 175.328 0.058 0.000 1.051 178 H CA 0.984 57.061 56.048 0.048 0.000 1.280 178 H CB -0.308 29.480 29.762 0.043 0.000 1.380 178 H HN 0.442 8.722 8.280 -0.000 0.000 0.566 179 R N -0.304 119.992 120.500 -0.340 0.000 2.290 179 R HA 0.211 4.544 4.340 -0.012 0.000 0.197 179 R C 2.299 178.567 176.300 -0.052 0.000 0.913 179 R CA 0.280 56.267 56.100 -0.187 0.000 1.040 179 R CB 0.204 30.370 30.300 -0.223 0.000 0.992 179 R HN 0.258 8.528 8.270 -0.000 0.000 0.500 180 M N -0.142 119.440 119.600 -0.030 0.000 2.279 180 M HA -0.058 4.415 4.480 -0.012 0.000 0.264 180 M C 1.898 178.214 176.300 0.026 0.000 1.062 180 M CA 1.678 56.984 55.300 0.010 0.000 1.099 180 M CB -0.057 32.568 32.600 0.042 0.000 1.394 180 M HN 0.279 8.569 8.290 -0.000 0.000 0.426 181 G N -0.682 108.140 108.800 0.036 0.000 2.985 181 G HA2 -0.022 3.931 3.960 -0.012 0.000 0.209 181 G HA3 -0.022 3.931 3.960 -0.012 0.000 0.209 181 G C -0.178 174.742 174.900 0.033 0.000 1.165 181 G CA -0.232 44.896 45.100 0.045 0.000 0.776 181 G HN 0.266 8.556 8.290 -0.000 0.000 0.541 182 D N 0.714 121.126 120.400 0.020 0.000 2.424 182 D HA 0.305 4.938 4.640 -0.012 0.000 0.244 182 D C 0.522 176.807 176.300 -0.025 0.000 1.134 182 D CA 0.217 54.222 54.000 0.009 0.000 0.881 182 D CB 1.987 42.791 40.800 0.007 0.000 1.191 182 D HN 0.168 8.538 8.370 -0.000 0.000 0.445 183 V N 0.121 120.023 119.914 -0.020 0.000 2.769 183 V HA 0.768 4.881 4.120 -0.012 0.000 0.312 183 V C -0.192 175.874 176.094 -0.047 0.000 1.061 183 V CA -0.945 61.336 62.300 -0.032 0.000 0.931 183 V CB 1.684 33.508 31.823 0.001 0.000 1.010 183 V HN 0.520 8.710 8.190 -0.000 0.000 0.433 184 I N -0.218 120.313 120.570 -0.065 0.000 2.892 184 I HA 0.657 4.820 4.170 -0.012 0.000 0.306 184 I C -0.849 175.262 176.117 -0.010 0.000 1.078 184 I CA -0.610 60.663 61.300 -0.045 0.000 1.032 184 I CB 2.267 40.200 38.000 -0.113 0.000 1.229 184 I HN 0.639 8.849 8.210 -0.000 0.000 0.435 185 D N 3.406 123.814 120.400 0.014 0.000 2.338 185 D HA 0.200 4.833 4.640 -0.012 0.000 0.255 185 D C 1.214 177.523 176.300 0.016 0.000 1.237 185 D CA 0.353 54.364 54.000 0.018 0.000 0.883 185 D CB 1.741 42.557 40.800 0.026 0.000 1.087 185 D HN 0.818 9.188 8.370 -0.000 0.000 0.485 186 G N 4.288 113.095 108.800 0.011 0.000 2.442 186 G HA2 -0.298 3.655 3.960 -0.012 0.000 0.219 186 G HA3 -0.298 3.655 3.960 -0.012 0.000 0.219 186 G C 1.508 176.411 174.900 0.006 0.000 1.141 186 G CA 0.421 45.525 45.100 0.006 0.000 0.763 186 G HN 0.547 8.837 8.290 -0.000 0.000 0.554 187 R N 0.230 120.735 120.500 0.009 0.000 2.193 187 R HA -0.025 4.308 4.340 -0.012 0.000 0.229 187 R C 1.274 177.582 176.300 0.012 0.000 1.110 187 R CA 1.082 57.186 56.100 0.007 0.000 0.988 187 R CB -0.044 30.262 30.300 0.011 0.000 0.871 187 R HN 0.222 8.492 8.270 -0.000 0.000 0.458 188 N N 0.232 118.944 118.700 0.020 0.000 2.270 188 N HA 0.081 4.814 4.740 -0.012 0.000 0.198 188 N C -0.354 175.178 175.510 0.036 0.000 1.117 188 N CA 0.221 53.287 53.050 0.028 0.000 0.845 188 N CB 0.412 38.919 38.487 0.034 0.000 0.980 188 N HN 0.198 8.578 8.380 -0.000 0.000 0.486 189 I N 0.967 121.556 120.570 0.032 0.000 2.471 189 I HA -0.003 4.160 4.170 -0.012 0.000 0.286 189 I C 1.644 177.776 176.117 0.026 0.000 1.079 189 I CA 0.099 61.422 61.300 0.038 0.000 1.398 189 I CB 1.187 39.209 38.000 0.036 0.000 1.403 189 I HN 0.105 8.315 8.210 -0.000 0.000 0.530 190 E N 7.186 127.402 120.200 0.026 0.000 2.132 190 E HA 0.041 4.384 4.350 -0.012 0.000 0.193 190 E C 0.069 176.673 176.600 0.007 0.000 0.951 190 E CA 0.507 56.916 56.400 0.015 0.000 0.843 190 E CB 0.594 30.303 29.700 0.014 0.000 0.807 190 E HN 0.697 9.057 8.360 -0.000 0.000 0.467 191 K N -0.266 120.136 120.400 0.003 0.000 2.575 191 K HA 0.446 4.759 4.320 -0.012 0.000 0.279 191 K C -1.359 175.223 176.600 -0.031 0.000 0.969 191 K CA -0.733 55.546 56.287 -0.013 0.000 0.868 191 K CB 1.335 33.824 32.500 -0.019 0.000 1.457 191 K HN -0.041 8.209 8.250 -0.000 0.000 0.426 192 I N 1.512 122.049 120.570 -0.055 0.000 2.447 192 I HA 0.292 4.455 4.170 -0.012 0.000 0.287 192 I C -1.039 175.023 176.117 -0.093 0.000 1.023 192 I CA -0.655 60.590 61.300 -0.092 0.000 1.083 192 I CB 2.155 40.063 38.000 -0.154 0.000 1.245 192 I HN 0.606 8.816 8.210 -0.000 0.000 0.434 193 E N 5.631 125.775 120.200 -0.093 0.000 2.210 193 E HA 0.621 4.964 4.350 -0.012 0.000 0.266 193 E C -1.343 175.197 176.600 -0.100 0.000 0.883 193 E CA -0.772 55.574 56.400 -0.091 0.000 0.761 193 E CB 3.167 32.818 29.700 -0.082 0.000 1.156 193 E HN 0.215 8.575 8.360 -0.000 0.000 0.412 194 V N 3.609 123.458 119.914 -0.109 0.000 2.531 194 V HA 0.286 4.399 4.120 -0.012 0.000 0.301 194 V C -0.523 175.501 176.094 -0.117 0.000 1.034 194 V CA -1.125 61.105 62.300 -0.117 0.000 0.865 194 V CB 1.564 33.298 31.823 -0.148 0.000 0.995 194 V HN 0.691 8.881 8.190 -0.000 0.000 0.424 195 N N 6.395 125.037 118.700 -0.097 0.000 2.424 195 N HA 0.633 5.366 4.740 -0.012 0.000 0.271 195 N C -1.124 174.333 175.510 -0.088 0.000 0.985 195 N CA -0.455 52.543 53.050 -0.087 0.000 0.921 195 N CB 2.464 40.910 38.487 -0.068 0.000 1.149 195 N HN 0.553 8.933 8.380 -0.000 0.000 0.492 196 L N 0.000 121.168 121.223 -0.092 0.000 2.949 196 L HA 0.000 4.333 4.340 -0.012 0.000 0.249 196 L CA 0.000 54.790 54.840 -0.084 0.000 0.813 196 L CB 0.000 41.995 42.059 -0.107 0.000 0.961 196 L HN 0.000 8.230 8.230 -0.000 0.000 0.502