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 1xb4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSALPPVYSF PPLYTRQPNS LTRRQQISTW IDIISQYCKT KKIWYMSVDG DATA SEQUENCE TVXXXXXXXX XXXXXXXXXX XXXNLFNNED IQRSVSQVFI DEIWSQMTKE DATA SEQUENCE GKCLPIDQSG RRSSNTTTTR YFILWKSLDS WASLILQWFE DSGKLNQVIT DATA SEQUENCE LYELSEXXET VNWEFHRMPE SLLYYCLKPL CDRNRATMLK DENDKVIAIK DATA SEQUENCE VV 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.240 176.300 -0.101 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 1 M CB 0.000 32.547 32.600 -0.089 0.000 1.302 2 S N 0.989 116.633 115.700 -0.095 0.000 2.666 2 S HA 0.878 5.347 4.470 -0.001 0.000 0.279 2 S C 1.766 176.273 174.600 -0.156 0.000 1.149 2 S CA 0.171 58.302 58.200 -0.115 0.000 1.020 2 S CB 1.538 64.690 63.200 -0.080 0.000 1.127 2 S HN 2.049 10.359 8.310 -0.000 0.000 0.537 3 A N -0.319 122.386 122.820 -0.193 0.000 2.066 3 A HA 0.290 4.609 4.320 -0.001 0.000 0.218 3 A C 0.351 177.908 177.584 -0.045 0.000 1.157 3 A CA 0.932 52.804 52.037 -0.275 0.000 0.670 3 A CB -0.432 18.271 19.000 -0.495 0.000 0.804 3 A HN 0.545 8.695 8.150 -0.000 0.000 0.453 4 L N 0.114 121.284 121.223 -0.090 0.000 2.409 4 L HA 0.405 4.745 4.340 -0.001 0.000 0.272 4 L C -2.700 174.143 176.870 -0.044 0.000 0.980 4 L CA -2.124 52.620 54.840 -0.159 0.000 0.826 4 L CB 2.085 43.919 42.059 -0.375 0.000 1.268 4 L HN -0.053 8.177 8.230 -0.000 0.000 0.407 5 P HA 0.200 4.620 4.420 -0.000 0.000 0.274 5 P C -2.138 175.204 177.300 0.070 0.000 1.260 5 P CA -1.011 62.098 63.100 0.015 0.000 0.793 5 P CB 0.123 31.821 31.700 -0.003 0.000 1.048 6 P HA -0.067 4.353 4.420 -0.000 0.000 0.220 6 P C 1.437 178.784 177.300 0.077 0.000 1.152 6 P CA 0.497 63.627 63.100 0.050 0.000 0.812 6 P CB -0.054 31.648 31.700 0.003 0.000 0.792 7 V N -1.017 118.925 119.914 0.047 0.000 2.913 7 V HA -0.224 3.896 4.120 -0.001 0.000 0.260 7 V C 2.006 178.185 176.094 0.142 0.000 1.098 7 V CA 1.280 63.619 62.300 0.065 0.000 1.121 7 V CB -1.339 30.477 31.823 -0.012 0.000 0.714 7 V HN 0.026 8.216 8.190 -0.000 0.000 0.487 8 Y N 0.810 121.118 120.300 0.013 0.000 2.384 8 Y HA -0.141 4.409 4.550 -0.001 0.000 0.289 8 Y C 2.298 178.328 175.900 0.216 0.000 1.152 8 Y CA 1.942 60.066 58.100 0.040 0.000 1.258 8 Y CB -0.029 38.447 38.460 0.027 0.000 0.979 8 Y HN 0.346 8.626 8.280 -0.000 0.000 0.549 9 S N -0.262 115.533 115.700 0.158 0.000 2.572 9 S HA 0.092 4.561 4.470 -0.001 0.000 0.228 9 S C -0.409 174.263 174.600 0.120 0.000 0.963 9 S CA -0.467 57.776 58.200 0.072 0.000 0.939 9 S CB -0.448 62.817 63.200 0.107 0.000 0.804 9 S HN 0.306 8.616 8.310 -0.000 0.000 0.480 10 F N 3.673 123.633 119.950 0.017 0.000 2.377 10 F HA 0.383 4.910 4.527 -0.001 0.000 0.360 10 F C -2.036 173.813 175.800 0.081 0.000 1.147 10 F CA -3.106 54.910 58.000 0.026 0.000 1.170 10 F CB 0.700 39.713 39.000 0.021 0.000 1.339 10 F HN -0.015 8.285 8.300 -0.000 0.000 0.552 11 P HA -0.260 4.160 4.420 -0.000 0.000 0.221 11 P C -1.322 175.834 177.300 -0.241 0.000 1.160 11 P CA 2.305 65.243 63.100 -0.271 0.000 0.933 11 P CB -0.881 30.661 31.700 -0.263 0.000 0.793 12 P HA -0.175 4.245 4.420 -0.000 0.000 0.219 12 P C 1.455 178.674 177.300 -0.134 0.000 1.144 12 P CA 0.920 63.759 63.100 -0.436 0.000 0.806 12 P CB -0.424 30.822 31.700 -0.756 0.000 0.771 13 L N -2.184 119.024 121.223 -0.025 0.000 2.109 13 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 13 L C 1.987 179.083 176.870 0.377 0.000 1.086 13 L CA 1.665 56.625 54.840 0.199 0.000 0.760 13 L CB -1.099 41.036 42.059 0.126 0.000 0.910 13 L HN -0.006 8.224 8.230 -0.000 0.000 0.437 14 Y N -0.938 119.487 120.300 0.209 0.000 2.509 14 Y HA -0.015 4.535 4.550 -0.001 0.000 0.293 14 Y C 0.880 176.846 175.900 0.110 0.000 1.133 14 Y CA 0.197 58.436 58.100 0.232 0.000 1.283 14 Y CB -0.397 38.130 38.460 0.113 0.000 1.001 14 Y HN 0.022 8.302 8.280 -0.000 0.000 0.555 15 T N 2.163 116.814 114.554 0.160 0.000 2.780 15 T HA 0.168 4.518 4.350 -0.001 0.000 0.294 15 T C 0.148 174.775 174.700 -0.122 0.000 0.949 15 T CA -0.758 61.343 62.100 0.001 0.000 1.074 15 T CB 0.878 69.723 68.868 -0.039 0.000 0.910 15 T HN 0.171 8.411 8.240 -0.000 0.000 0.501 16 R N 2.500 122.785 120.500 -0.358 0.000 2.679 16 R HA 0.071 4.411 4.340 -0.001 0.000 0.268 16 R C -0.259 175.769 176.300 -0.454 0.000 1.044 16 R CA -0.216 55.362 56.100 -0.871 0.000 1.105 16 R CB 0.393 30.058 30.300 -1.058 0.000 0.989 16 R HN 0.460 8.730 8.270 -0.000 0.000 0.447 17 Q N 4.239 123.794 119.800 -0.408 0.000 2.290 17 Q HA 0.316 4.656 4.340 -0.001 0.000 0.259 17 Q C -2.240 173.663 176.000 -0.162 0.000 0.941 17 Q CA -2.133 53.557 55.803 -0.187 0.000 0.912 17 Q CB 1.924 30.617 28.738 -0.076 0.000 1.244 17 Q HN 0.532 8.802 8.270 -0.000 0.000 0.441 18 P HA 0.163 4.583 4.420 -0.000 0.000 0.280 18 P C -0.516 176.753 177.300 -0.052 0.000 1.386 18 P CA -0.032 63.017 63.100 -0.085 0.000 0.899 18 P CB 0.424 32.082 31.700 -0.071 0.000 1.098 19 N N 2.086 120.761 118.700 -0.040 0.000 6.971 19 N HA -0.097 4.642 4.740 -0.001 0.000 0.105 19 N C 0.556 176.063 175.510 -0.004 0.000 0.941 19 N CA -0.074 52.966 53.050 -0.017 0.000 1.212 19 N CB 0.195 38.675 38.487 -0.011 0.000 1.350 19 N HN 0.080 8.460 8.380 -0.000 0.000 1.277 20 S N 3.149 118.850 115.700 0.003 0.000 2.369 20 S HA -0.112 4.358 4.470 -0.001 0.000 0.225 20 S C 1.921 176.535 174.600 0.023 0.000 1.043 20 S CA 1.713 59.922 58.200 0.014 0.000 1.074 20 S CB -0.114 63.094 63.200 0.013 0.000 0.962 20 S HN 0.495 8.805 8.310 -0.000 0.000 0.433 21 L N 0.378 121.612 121.223 0.018 0.000 1.944 21 L HA -0.172 4.168 4.340 -0.001 0.000 0.218 21 L C 2.822 179.711 176.870 0.030 0.000 1.075 21 L CA 2.070 56.924 54.840 0.023 0.000 0.767 21 L CB -1.594 40.475 42.059 0.017 0.000 0.890 21 L HN 0.345 8.575 8.230 -0.000 0.000 0.434 22 T N -0.784 113.786 114.554 0.027 0.000 2.580 22 T HA -0.304 4.046 4.350 -0.001 0.000 0.265 22 T C 1.964 176.698 174.700 0.058 0.000 1.063 22 T CA 1.835 63.957 62.100 0.036 0.000 1.170 22 T CB -0.390 68.492 68.868 0.023 0.000 0.863 22 T HN 0.243 8.483 8.240 -0.000 0.000 0.418 23 R N 0.737 121.267 120.500 0.050 0.000 2.140 23 R HA -0.237 4.103 4.340 -0.001 0.000 0.250 23 R C 2.543 178.927 176.300 0.139 0.000 1.150 23 R CA 1.994 58.152 56.100 0.097 0.000 0.966 23 R CB -0.204 30.129 30.300 0.055 0.000 0.869 23 R HN 0.127 8.397 8.270 -0.000 0.000 0.445 24 R N 0.573 121.127 120.500 0.090 0.000 2.103 24 R HA -0.165 4.175 4.340 -0.001 0.000 0.242 24 R C 2.124 178.471 176.300 0.078 0.000 1.142 24 R CA 1.994 58.141 56.100 0.077 0.000 0.960 24 R CB -0.322 30.010 30.300 0.053 0.000 0.858 24 R HN 0.363 8.633 8.270 -0.000 0.000 0.439 25 Q N 0.055 119.900 119.800 0.075 0.000 2.033 25 Q HA -0.146 4.194 4.340 -0.001 0.000 0.196 25 Q C 2.044 178.097 176.000 0.089 0.000 0.970 25 Q CA 1.700 57.542 55.803 0.066 0.000 0.828 25 Q CB -0.505 28.265 28.738 0.053 0.000 0.895 25 Q HN 0.609 8.879 8.270 -0.000 0.000 0.440 26 Q N 0.651 120.531 119.800 0.132 0.000 2.062 26 Q HA -0.202 4.137 4.340 -0.001 0.000 0.209 26 Q C 2.107 178.246 176.000 0.232 0.000 0.996 26 Q CA 1.704 57.627 55.803 0.200 0.000 0.859 26 Q CB -0.227 28.691 28.738 0.299 0.000 0.920 26 Q HN 0.362 8.632 8.270 -0.000 0.000 0.415 27 I N 0.312 121.014 120.570 0.220 0.000 2.127 27 I HA -0.312 3.858 4.170 -0.001 0.000 0.241 27 I C 2.511 178.674 176.117 0.078 0.000 1.075 27 I CA 1.326 62.689 61.300 0.104 0.000 1.334 27 I CB -0.461 37.564 38.000 0.042 0.000 1.040 27 I HN 0.212 8.422 8.210 -0.000 0.000 0.405 28 S N 0.343 116.081 115.700 0.063 0.000 2.372 28 S HA -0.246 4.224 4.470 -0.001 0.000 0.227 28 S C 2.050 176.668 174.600 0.030 0.000 1.044 28 S CA 2.236 60.462 58.200 0.043 0.000 1.050 28 S CB -0.606 62.616 63.200 0.036 0.000 0.901 28 S HN 0.481 8.791 8.310 -0.000 0.000 0.447 29 T N 0.491 115.050 114.554 0.009 0.000 2.685 29 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 29 T C 1.336 175.962 174.700 -0.123 0.000 1.034 29 T CA 1.639 63.697 62.100 -0.071 0.000 1.149 29 T CB -0.409 68.389 68.868 -0.117 0.000 0.860 29 T HN 0.555 8.795 8.240 -0.000 0.000 0.449 30 W N 1.080 122.339 121.300 -0.069 0.000 2.379 30 W HA 0.034 4.694 4.660 -0.001 0.000 0.307 30 W C 2.217 178.682 176.519 -0.090 0.000 1.200 30 W CA 0.166 57.448 57.345 -0.105 0.000 1.297 30 W CB -0.336 28.969 29.460 -0.259 0.000 1.140 30 W HN 0.140 8.320 8.180 -0.000 0.000 0.507 31 I N 0.165 120.811 120.570 0.127 0.000 2.087 31 I HA -0.387 3.783 4.170 -0.001 0.000 0.240 31 I C 2.276 178.443 176.117 0.082 0.000 1.054 31 I CA 2.145 63.488 61.300 0.071 0.000 1.311 31 I CB -1.652 36.378 38.000 0.051 0.000 1.024 31 I HN 0.113 8.323 8.210 -0.000 0.000 0.402 32 D N 1.369 121.800 120.400 0.050 0.000 2.133 32 D HA -0.219 4.420 4.640 -0.001 0.000 0.192 32 D C 2.278 178.591 176.300 0.022 0.000 1.001 32 D CA 1.656 55.675 54.000 0.031 0.000 0.844 32 D CB -0.100 40.700 40.800 -0.001 0.000 0.944 32 D HN 0.366 8.736 8.370 -0.000 0.000 0.447 33 I N 0.828 121.395 120.570 -0.004 0.000 2.208 33 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 33 I C 2.436 178.587 176.117 0.056 0.000 1.097 33 I CA 0.483 61.777 61.300 -0.011 0.000 1.363 33 I CB -0.219 37.727 38.000 -0.089 0.000 1.051 33 I HN 0.119 8.329 8.210 -0.000 0.000 0.413 34 I N 0.556 121.188 120.570 0.103 0.000 2.099 34 I HA -0.264 3.906 4.170 -0.001 0.000 0.239 34 I C 2.730 178.929 176.117 0.137 0.000 1.066 34 I CA 1.573 62.938 61.300 0.108 0.000 1.324 34 I CB -1.535 36.532 38.000 0.112 0.000 1.037 34 I HN 0.194 8.404 8.210 -0.000 0.000 0.401 35 S N 0.634 116.420 115.700 0.143 0.000 2.365 35 S HA -0.254 4.216 4.470 -0.001 0.000 0.221 35 S C 1.911 176.493 174.600 -0.029 0.000 1.037 35 S CA 1.324 59.621 58.200 0.162 0.000 1.060 35 S CB -0.429 62.884 63.200 0.187 0.000 0.974 35 S HN 0.434 8.744 8.310 -0.000 0.000 0.427 36 Q N -0.081 119.700 119.800 -0.032 0.000 2.112 36 Q HA -0.158 4.181 4.340 -0.001 0.000 0.206 36 Q C 1.892 177.784 176.000 -0.180 0.000 0.987 36 Q CA 1.695 57.425 55.803 -0.122 0.000 0.858 36 Q CB -0.619 28.076 28.738 -0.071 0.000 0.905 36 Q HN 0.750 9.020 8.270 -0.000 0.000 0.420 37 Y N 0.104 120.279 120.300 -0.207 0.000 2.070 37 Y HA -0.274 4.275 4.550 -0.001 0.000 0.279 37 Y C 2.634 178.361 175.900 -0.288 0.000 1.134 37 Y CA 1.847 59.810 58.100 -0.227 0.000 1.113 37 Y CB -0.614 37.736 38.460 -0.183 0.000 0.981 37 Y HN 0.139 8.419 8.280 -0.000 0.000 0.487 38 C N 1.225 120.522 119.300 -0.004 0.000 2.398 38 C HA -0.230 4.229 4.460 -0.001 0.000 0.276 38 C C 2.704 177.259 174.990 -0.724 0.000 1.222 38 C CA 1.678 60.598 59.018 -0.163 0.000 1.746 38 C CB -1.267 26.536 27.740 0.105 0.000 2.039 38 C HN 0.633 8.863 8.230 -0.000 0.000 0.470 39 K N 0.912 120.565 120.400 -1.244 0.000 1.987 39 K HA -0.252 4.067 4.320 -0.001 0.000 0.216 39 K C 2.148 178.083 176.600 -1.107 0.000 1.051 39 K CA 2.687 57.743 56.287 -2.052 0.000 0.942 39 K CB -0.606 31.019 32.500 -1.458 0.000 0.722 39 K HN 0.633 8.883 8.250 -0.000 0.000 0.444 40 T N -0.977 113.158 114.554 -0.697 0.000 2.833 40 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 40 T C 1.526 175.954 174.700 -0.453 0.000 1.054 40 T CA 1.200 63.008 62.100 -0.487 0.000 1.135 40 T CB -0.119 68.523 68.868 -0.377 0.000 0.869 40 T HN 0.243 8.483 8.240 -0.000 0.000 0.466 41 K N 0.715 120.789 120.400 -0.544 0.000 2.458 41 K HA 0.127 4.446 4.320 -0.001 0.000 0.194 41 K C 0.080 176.480 176.600 -0.333 0.000 1.024 41 K CA -0.194 55.834 56.287 -0.431 0.000 1.108 41 K CB 0.169 32.345 32.500 -0.541 0.000 0.846 41 K HN 0.137 8.387 8.250 -0.000 0.000 0.518 42 K N 0.936 121.085 120.400 -0.419 0.000 3.156 42 K HA -0.197 4.122 4.320 -0.001 0.000 0.266 42 K C -0.213 176.082 176.600 -0.509 0.000 0.966 42 K CA 0.758 56.809 56.287 -0.393 0.000 0.719 42 K CB -1.795 30.623 32.500 -0.136 0.000 1.333 42 K HN 0.348 8.598 8.250 -0.000 0.000 0.468 43 I N -1.086 119.202 120.570 -0.471 0.000 2.664 43 I HA 0.181 4.351 4.170 -0.001 0.000 0.308 43 I C 1.135 177.040 176.117 -0.354 0.000 0.984 43 I CA -0.455 60.670 61.300 -0.292 0.000 1.213 43 I CB 0.873 38.871 38.000 -0.003 0.000 1.379 43 I HN 0.181 8.391 8.210 -0.000 0.000 0.501 44 W N 1.371 122.808 121.300 0.229 0.000 3.231 44 W HA 0.201 4.860 4.660 -0.001 0.000 0.234 44 W C -0.330 176.259 176.519 0.117 0.000 1.099 44 W CA -0.173 57.269 57.345 0.161 0.000 1.467 44 W CB 0.145 29.494 29.460 -0.186 0.000 0.800 44 W HN 0.170 8.350 8.180 -0.000 0.000 0.739 45 Y N 1.343 121.891 120.300 0.412 0.000 2.420 45 Y HA 0.643 5.192 4.550 -0.001 0.000 0.334 45 Y C 0.345 176.395 175.900 0.249 0.000 1.094 45 Y CA -1.153 57.117 58.100 0.283 0.000 1.126 45 Y CB 1.059 39.627 38.460 0.180 0.000 1.217 45 Y HN -0.484 7.796 8.280 -0.000 0.000 0.462 46 M N 2.465 122.327 119.600 0.438 0.000 2.271 46 M HA 0.250 4.730 4.480 -0.001 0.000 0.285 46 M C -0.661 175.816 176.300 0.296 0.000 1.059 46 M CA -0.670 54.834 55.300 0.341 0.000 0.940 46 M CB 2.340 35.193 32.600 0.420 0.000 1.636 46 M HN 0.743 9.033 8.290 -0.000 0.000 0.460 47 S N 1.302 117.140 115.700 0.230 0.000 2.580 47 S HA 0.285 4.754 4.470 -0.001 0.000 0.274 47 S C 1.372 176.160 174.600 0.314 0.000 1.329 47 S CA -0.465 57.846 58.200 0.185 0.000 1.036 47 S CB 1.100 64.376 63.200 0.125 0.000 0.919 47 S HN 0.700 9.010 8.310 -0.000 0.000 0.515 48 V N -0.487 119.593 119.914 0.277 0.000 2.439 48 V HA -0.231 3.889 4.120 -0.001 0.000 0.253 48 V C 1.710 178.148 176.094 0.573 0.000 1.074 48 V CA 2.231 64.795 62.300 0.440 0.000 1.076 48 V CB -1.338 30.649 31.823 0.274 0.000 0.664 48 V HN 0.996 9.186 8.190 -0.000 0.000 0.461 49 D N 0.244 120.863 120.400 0.366 0.000 2.349 49 D HA 0.263 4.903 4.640 -0.001 0.000 0.224 49 D C 1.632 178.172 176.300 0.400 0.000 1.029 49 D CA 0.853 55.048 54.000 0.325 0.000 0.879 49 D CB 0.121 41.037 40.800 0.192 0.000 0.906 49 D HN 1.016 9.386 8.370 -0.000 0.000 0.528 50 G N -0.640 108.399 108.800 0.398 0.000 2.195 50 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.224 50 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.224 50 G C 0.385 175.282 174.900 -0.006 0.000 0.990 50 G CA 0.069 45.213 45.100 0.073 0.000 0.639 50 G HN 0.420 8.710 8.290 -0.000 0.000 0.514 51 T N 1.627 116.238 114.554 0.095 0.000 2.908 51 T HA 0.453 4.803 4.350 -0.001 0.000 0.301 51 T C 0.778 175.526 174.700 0.080 0.000 1.019 51 T CA 0.709 62.852 62.100 0.072 0.000 1.152 51 T CB 1.936 70.855 68.868 0.084 0.000 0.966 51 T HN 0.652 8.892 8.240 -0.000 0.000 0.540 75 L N 1.437 122.549 121.223 -0.185 0.000 2.549 75 L HA 0.253 4.593 4.340 -0.001 0.000 0.230 75 L C 0.516 177.332 176.870 -0.089 0.000 1.162 75 L CA 1.566 56.244 54.840 -0.269 0.000 0.834 75 L CB -0.442 41.256 42.059 -0.601 0.000 0.947 75 L HN 0.415 8.645 8.230 -0.000 0.000 0.452 76 F N -2.105 117.867 119.950 0.037 0.000 2.682 76 F HA 0.247 4.773 4.527 -0.001 0.000 0.308 76 F C 0.941 176.771 175.800 0.050 0.000 1.093 76 F CA -0.586 57.346 58.000 -0.112 0.000 1.244 76 F CB 0.353 39.187 39.000 -0.276 0.000 1.052 76 F HN 0.006 8.306 8.300 -0.000 0.000 0.573 77 N N 1.669 120.535 118.700 0.277 0.000 2.564 77 N HA 0.028 4.768 4.740 -0.001 0.000 0.248 77 N C -1.469 174.176 175.510 0.225 0.000 0.986 77 N CA 0.001 53.183 53.050 0.220 0.000 0.921 77 N CB 0.449 39.023 38.487 0.145 0.000 1.136 77 N HN -0.047 8.333 8.380 -0.000 0.000 0.509 78 N N 3.224 122.057 118.700 0.222 0.000 2.415 78 N HA 0.052 4.792 4.740 -0.001 0.000 0.246 78 N C 0.787 176.318 175.510 0.034 0.000 1.078 78 N CA -0.045 53.079 53.050 0.123 0.000 0.942 78 N CB 0.806 39.224 38.487 -0.115 0.000 1.140 78 N HN 0.467 8.847 8.380 -0.000 0.000 0.501 79 E N 2.822 123.067 120.200 0.075 0.000 2.028 79 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 79 E C 0.627 177.238 176.600 0.018 0.000 0.988 79 E CA 1.335 57.761 56.400 0.044 0.000 0.799 79 E CB -0.053 29.683 29.700 0.059 0.000 0.755 79 E HN 0.621 8.981 8.360 -0.000 0.000 0.447 80 D N 0.736 121.159 120.400 0.037 0.000 2.158 80 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 80 D C 1.758 178.043 176.300 -0.024 0.000 0.995 80 D CA 0.777 54.789 54.000 0.022 0.000 0.846 80 D CB -0.098 40.736 40.800 0.055 0.000 0.941 80 D HN 0.158 8.528 8.370 -0.000 0.000 0.456 81 I N -0.030 120.494 120.570 -0.078 0.000 3.419 81 I HA -0.013 4.157 4.170 -0.001 0.000 0.286 81 I C 0.262 176.283 176.117 -0.160 0.000 1.268 81 I CA 0.428 61.633 61.300 -0.159 0.000 1.414 81 I CB -0.705 37.094 38.000 -0.334 0.000 1.074 81 I HN 0.109 8.319 8.210 -0.000 0.000 0.457 82 Q N 1.608 121.340 119.800 -0.113 0.000 2.460 82 Q HA -0.201 4.139 4.340 -0.001 0.000 0.311 82 Q C -0.489 175.439 176.000 -0.120 0.000 1.396 82 Q CA 0.467 56.220 55.803 -0.083 0.000 0.838 82 Q CB -0.753 27.950 28.738 -0.059 0.000 1.140 82 Q HN 0.323 8.593 8.270 -0.000 0.000 0.415 83 R N -0.147 120.252 120.500 -0.168 0.000 2.668 83 R HA 0.654 4.994 4.340 -0.001 0.000 0.272 83 R C -1.004 175.300 176.300 0.006 0.000 1.019 83 R CA -0.708 55.289 56.100 -0.172 0.000 0.894 83 R CB 2.348 32.371 30.300 -0.461 0.000 1.228 83 R HN 0.077 8.347 8.270 -0.000 0.000 0.460 84 S N 0.379 116.163 115.700 0.139 0.000 2.572 84 S HA 0.350 4.819 4.470 -0.001 0.000 0.274 84 S C -0.643 174.048 174.600 0.151 0.000 1.150 84 S CA -0.661 57.666 58.200 0.212 0.000 0.944 84 S CB 2.405 65.674 63.200 0.115 0.000 1.071 84 S HN 0.249 8.559 8.310 -0.000 0.000 0.479 85 V N 3.682 123.628 119.914 0.053 0.000 2.585 85 V HA 0.206 4.326 4.120 -0.001 0.000 0.296 85 V C 0.940 176.959 176.094 -0.125 0.000 1.035 85 V CA -0.355 61.860 62.300 -0.141 0.000 1.084 85 V CB 0.872 32.316 31.823 -0.630 0.000 0.953 85 V HN 1.006 9.196 8.190 -0.000 0.000 0.483 86 S N 3.574 119.240 115.700 -0.056 0.000 2.560 86 S HA 0.031 4.501 4.470 -0.001 0.000 0.284 86 S C 0.901 175.451 174.600 -0.082 0.000 1.327 86 S CA -0.078 58.096 58.200 -0.042 0.000 1.055 86 S CB 1.136 64.322 63.200 -0.022 0.000 0.868 86 S HN 0.721 9.031 8.310 -0.000 0.000 0.506 87 Q N 2.728 122.497 119.800 -0.051 0.000 2.112 87 Q HA -0.113 4.226 4.340 -0.001 0.000 0.206 87 Q C 1.772 177.748 176.000 -0.039 0.000 0.987 87 Q CA 2.208 57.985 55.803 -0.044 0.000 0.858 87 Q CB -1.126 27.620 28.738 0.013 0.000 0.905 87 Q HN 0.721 8.991 8.270 -0.000 0.000 0.420 88 V N 0.506 120.415 119.914 -0.008 0.000 2.231 88 V HA -0.313 3.807 4.120 -0.001 0.000 0.250 88 V C 2.076 178.197 176.094 0.045 0.000 1.058 88 V CA 2.378 64.687 62.300 0.015 0.000 1.022 88 V CB -0.898 30.929 31.823 0.006 0.000 0.640 88 V HN 0.511 8.701 8.190 -0.000 0.000 0.445 89 F N 0.025 119.856 119.950 -0.198 0.000 2.075 89 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 89 F C 2.379 177.941 175.800 -0.398 0.000 1.113 89 F CA 1.836 59.671 58.000 -0.275 0.000 1.218 89 F CB -0.068 38.734 39.000 -0.330 0.000 0.984 89 F HN 0.067 8.367 8.300 -0.000 0.000 0.472 90 I N 0.565 120.817 120.570 -0.529 0.000 2.143 90 I HA -0.424 3.745 4.170 -0.001 0.000 0.245 90 I C 1.939 177.747 176.117 -0.515 0.000 1.068 90 I CA 1.683 62.456 61.300 -0.878 0.000 1.326 90 I CB -0.715 36.863 38.000 -0.703 0.000 1.028 90 I HN 0.231 8.441 8.210 -0.000 0.000 0.412 91 D N 0.719 121.034 120.400 -0.141 0.000 2.104 91 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 91 D C 2.094 178.401 176.300 0.012 0.000 0.994 91 D CA 1.350 55.392 54.000 0.070 0.000 0.830 91 D CB -0.302 40.555 40.800 0.095 0.000 0.959 91 D HN 0.494 8.864 8.370 -0.000 0.000 0.452 92 E N 0.348 120.520 120.200 -0.047 0.000 2.085 92 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 92 E C 2.276 178.798 176.600 -0.130 0.000 0.994 92 E CA 0.477 56.866 56.400 -0.017 0.000 0.801 92 E CB 0.041 29.797 29.700 0.094 0.000 0.743 92 E HN 0.238 8.598 8.360 -0.000 0.000 0.453 93 I N 0.068 120.396 120.570 -0.404 0.000 2.127 93 I HA -0.277 3.892 4.170 -0.001 0.000 0.241 93 I C 2.132 178.060 176.117 -0.315 0.000 1.075 93 I CA 1.568 62.548 61.300 -0.533 0.000 1.334 93 I CB -1.451 35.953 38.000 -0.994 0.000 1.040 93 I HN 0.314 8.524 8.210 -0.000 0.000 0.405 94 W N 1.719 122.894 121.300 -0.208 0.000 2.354 94 W HA -0.258 4.402 4.660 -0.001 0.000 0.315 94 W C 3.140 179.625 176.519 -0.055 0.000 1.206 94 W CA 1.550 58.776 57.345 -0.198 0.000 1.290 94 W CB -0.651 28.664 29.460 -0.242 0.000 1.152 94 W HN 0.202 8.382 8.180 -0.000 0.000 0.489 95 S N 0.280 116.125 115.700 0.243 0.000 2.359 95 S HA -0.380 4.089 4.470 -0.001 0.000 0.223 95 S C 1.762 176.436 174.600 0.124 0.000 1.039 95 S CA 1.666 59.970 58.200 0.173 0.000 1.042 95 S CB -1.078 62.198 63.200 0.125 0.000 0.915 95 S HN 0.291 8.601 8.310 -0.000 0.000 0.439 96 Q N 1.486 121.332 119.800 0.077 0.000 2.045 96 Q HA -0.087 4.253 4.340 -0.001 0.000 0.206 96 Q C 2.202 178.245 176.000 0.072 0.000 0.991 96 Q CA 2.218 58.054 55.803 0.055 0.000 0.851 96 Q CB -0.670 28.078 28.738 0.017 0.000 0.911 96 Q HN 0.725 8.995 8.270 -0.000 0.000 0.418 97 M N -0.842 118.808 119.600 0.084 0.000 2.279 97 M HA -0.149 4.331 4.480 -0.001 0.000 0.264 97 M C 1.258 177.651 176.300 0.155 0.000 1.062 97 M CA 1.899 57.272 55.300 0.121 0.000 1.099 97 M CB -0.022 32.675 32.600 0.161 0.000 1.394 97 M HN 0.279 8.569 8.290 -0.000 0.000 0.426 98 T N -0.207 114.453 114.554 0.177 0.000 2.896 98 T HA -0.109 4.240 4.350 -0.001 0.000 0.263 98 T C 1.688 176.454 174.700 0.110 0.000 1.050 98 T CA 1.210 63.409 62.100 0.166 0.000 1.140 98 T CB -0.182 68.803 68.868 0.195 0.000 0.877 98 T HN 0.431 8.671 8.240 -0.000 0.000 0.457 99 K N 1.347 121.805 120.400 0.096 0.000 2.097 99 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 99 K C 1.967 178.604 176.600 0.063 0.000 1.049 99 K CA 1.346 57.676 56.287 0.071 0.000 0.933 99 K CB -0.024 32.514 32.500 0.063 0.000 0.717 99 K HN 0.381 8.631 8.250 -0.000 0.000 0.442 100 E N -1.024 119.216 120.200 0.067 0.000 2.427 100 E HA -0.023 4.326 4.350 -0.001 0.000 0.196 100 E C 0.775 177.408 176.600 0.056 0.000 1.028 100 E CA 0.479 56.914 56.400 0.057 0.000 0.864 100 E CB 0.169 29.903 29.700 0.058 0.000 0.813 100 E HN 0.628 8.988 8.360 -0.000 0.000 0.514 101 G N 1.790 110.629 108.800 0.065 0.000 2.143 101 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.248 101 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.248 101 G C 0.905 175.834 174.900 0.049 0.000 0.991 101 G CA 0.469 45.600 45.100 0.051 0.000 0.689 101 G HN 0.088 8.378 8.290 -0.000 0.000 0.522 102 K N -0.523 119.925 120.400 0.079 0.000 2.365 102 K HA 0.202 4.522 4.320 -0.001 0.000 0.197 102 K C 1.491 178.164 176.600 0.120 0.000 1.042 102 K CA 1.239 57.584 56.287 0.096 0.000 0.987 102 K CB -0.257 32.314 32.500 0.118 0.000 0.779 102 K HN 1.048 9.298 8.250 -0.000 0.000 0.484 103 C N -1.578 117.805 119.300 0.138 0.000 3.236 103 C HA 0.787 5.247 4.460 -0.001 0.000 0.312 103 C C -1.216 173.858 174.990 0.141 0.000 1.374 103 C CA -1.627 57.499 59.018 0.180 0.000 1.455 103 C CB 0.612 28.550 27.740 0.329 0.000 1.834 103 C HN 0.148 8.378 8.230 -0.000 0.000 0.460 104 L N 1.668 122.994 121.223 0.173 0.000 2.404 104 L HA 0.730 5.069 4.340 -0.001 0.000 0.272 104 L C -2.813 174.093 176.870 0.060 0.000 0.980 104 L CA -2.057 52.836 54.840 0.089 0.000 0.836 104 L CB 1.694 43.769 42.059 0.026 0.000 1.238 104 L HN 0.585 8.815 8.230 -0.000 0.000 0.408 105 P HA 0.444 4.864 4.420 -0.000 0.000 0.276 105 P C -1.161 175.979 177.300 -0.267 0.000 1.235 105 P CA 0.000 62.913 63.100 -0.312 0.000 0.772 105 P CB 0.608 32.218 31.700 -0.149 0.000 0.871 106 I N -0.330 120.035 120.570 -0.342 0.000 2.841 106 I HA 0.521 4.691 4.170 -0.001 0.000 0.298 106 I C -0.608 175.392 176.117 -0.195 0.000 1.304 106 I CA -1.167 60.014 61.300 -0.197 0.000 1.019 106 I CB 2.660 40.594 38.000 -0.110 0.000 1.282 106 I HN 0.206 8.416 8.210 -0.000 0.000 0.432 107 D N 3.575 123.900 120.400 -0.124 0.000 2.478 107 D HA 0.023 4.663 4.640 -0.001 0.000 0.274 107 D C 0.653 176.895 176.300 -0.098 0.000 1.234 107 D CA -0.362 53.572 54.000 -0.111 0.000 1.069 107 D CB 0.826 41.582 40.800 -0.075 0.000 1.113 107 D HN 0.873 9.243 8.370 -0.000 0.000 0.571 108 Q N -0.691 119.055 119.800 -0.090 0.000 2.458 108 Q HA -0.174 4.165 4.340 -0.001 0.000 0.215 108 Q C 0.980 176.938 176.000 -0.070 0.000 0.989 108 Q CA 1.405 57.153 55.803 -0.091 0.000 0.895 108 Q CB 0.094 28.786 28.738 -0.076 0.000 0.934 108 Q HN 0.529 8.799 8.270 -0.000 0.000 0.475 109 S N -2.138 113.532 115.700 -0.049 0.000 4.311 109 S HA 0.582 5.052 4.470 -0.001 0.000 0.200 109 S C 0.743 175.354 174.600 0.019 0.000 1.007 109 S CA -0.311 57.876 58.200 -0.022 0.000 1.754 109 S CB 0.128 63.315 63.200 -0.021 0.000 0.728 109 S HN 0.279 8.589 8.310 -0.000 0.000 0.760 110 G N 0.060 108.893 108.800 0.055 0.000 2.583 110 G HA2 0.521 4.481 3.960 -0.001 0.000 0.280 110 G HA3 0.521 4.481 3.960 -0.001 0.000 0.280 110 G C -0.701 174.243 174.900 0.073 0.000 1.376 110 G CA -1.242 43.959 45.100 0.167 0.000 1.043 110 G HN 0.723 9.013 8.290 -0.000 0.000 0.538 111 R N -0.159 120.383 120.500 0.069 0.000 2.526 111 R HA 0.042 4.381 4.340 -0.001 0.000 0.319 111 R C -0.677 175.612 176.300 -0.018 0.000 0.888 111 R CA 0.579 56.636 56.100 -0.072 0.000 1.127 111 R CB 0.033 30.294 30.300 -0.064 0.000 0.888 111 R HN 0.260 8.530 8.270 -0.000 0.000 0.410 112 R N 2.364 122.824 120.500 -0.066 0.000 2.510 112 R HA 0.120 4.459 4.340 -0.001 0.000 0.294 112 R C -0.800 175.455 176.300 -0.074 0.000 1.056 112 R CA -0.265 55.801 56.100 -0.056 0.000 0.918 112 R CB 1.805 32.067 30.300 -0.063 0.000 1.187 112 R HN 0.680 8.950 8.270 -0.000 0.000 0.437 113 S N 1.511 117.188 115.700 -0.039 0.000 2.553 113 S HA -0.090 4.380 4.470 -0.001 0.000 0.271 113 S C 1.468 176.048 174.600 -0.034 0.000 1.362 113 S CA 0.880 59.065 58.200 -0.025 0.000 1.010 113 S CB 0.543 63.742 63.200 -0.002 0.000 0.865 113 S HN 0.669 8.979 8.310 -0.000 0.000 0.543 114 S N 2.219 117.916 115.700 -0.005 0.000 2.492 114 S HA -0.273 4.196 4.470 -0.001 0.000 0.234 114 S C 1.850 176.448 174.600 -0.003 0.000 1.050 114 S CA 2.391 60.597 58.200 0.010 0.000 1.203 114 S CB -1.390 61.840 63.200 0.049 0.000 1.161 114 S HN 0.875 9.185 8.310 -0.000 0.000 0.417 115 N N -0.195 118.510 118.700 0.009 0.000 2.011 115 N HA -0.189 4.550 4.740 -0.001 0.000 0.199 115 N C 1.311 176.815 175.510 -0.010 0.000 1.047 115 N CA 2.147 55.200 53.050 0.005 0.000 0.863 115 N CB -0.582 37.911 38.487 0.009 0.000 1.056 115 N HN 0.726 9.106 8.380 -0.000 0.000 0.427 116 T N -0.782 113.764 114.554 -0.013 0.000 3.647 116 T HA -0.129 4.221 4.350 -0.001 0.000 0.271 116 T C 0.082 174.761 174.700 -0.035 0.000 1.228 116 T CA 1.100 63.188 62.100 -0.020 0.000 1.045 116 T CB -1.689 67.169 68.868 -0.017 0.000 0.888 116 T HN 0.356 8.596 8.240 -0.000 0.000 0.610 117 T N 0.540 115.071 114.554 -0.039 0.000 3.501 117 T HA -0.181 4.169 4.350 -0.001 0.000 0.411 117 T C 0.170 174.816 174.700 -0.089 0.000 0.766 117 T CA 0.830 62.898 62.100 -0.053 0.000 2.129 117 T CB -2.439 66.403 68.868 -0.043 0.000 1.711 117 T HN 0.999 9.239 8.240 -0.000 0.000 0.712 118 T N 0.095 114.576 114.554 -0.123 0.000 2.761 118 T HA 0.449 4.799 4.350 -0.001 0.000 0.296 118 T C 1.265 175.822 174.700 -0.237 0.000 0.934 118 T CA 0.455 62.423 62.100 -0.221 0.000 1.091 118 T CB 1.480 70.159 68.868 -0.314 0.000 0.896 118 T HN 0.492 8.732 8.240 -0.000 0.000 0.515 119 T N 4.131 118.548 114.554 -0.229 0.000 3.040 119 T HA 0.221 4.570 4.350 -0.001 0.000 0.252 119 T C 0.775 175.346 174.700 -0.213 0.000 1.064 119 T CA 0.161 62.154 62.100 -0.179 0.000 1.110 119 T CB -0.060 68.727 68.868 -0.135 0.000 0.921 119 T HN 0.845 9.085 8.240 -0.000 0.000 0.480 120 R N -1.128 119.181 120.500 -0.319 0.000 2.781 120 R HA 0.445 4.785 4.340 -0.001 0.000 0.268 120 R C -1.843 174.185 176.300 -0.454 0.000 1.047 120 R CA -0.836 55.113 56.100 -0.250 0.000 0.925 120 R CB 0.735 30.974 30.300 -0.102 0.000 1.246 120 R HN 0.161 8.431 8.270 -0.000 0.000 0.456 121 Y N -0.014 120.253 120.300 -0.055 0.000 2.499 121 Y HA 0.459 5.009 4.550 -0.001 0.000 0.347 121 Y C -0.747 175.303 175.900 0.250 0.000 0.987 121 Y CA -0.982 57.091 58.100 -0.046 0.000 1.044 121 Y CB 2.456 40.663 38.460 -0.422 0.000 1.245 121 Y HN 0.512 8.792 8.280 -0.000 0.000 0.461 122 F N 5.124 125.191 119.950 0.195 0.000 2.334 122 F HA 0.464 4.990 4.527 -0.000 0.000 0.367 122 F C -0.742 175.197 175.800 0.231 0.000 1.115 122 F CA -1.158 56.926 58.000 0.140 0.000 1.116 122 F CB 0.343 39.347 39.000 0.006 0.000 1.230 122 F HN 0.290 8.590 8.300 -0.000 0.000 0.484 123 I N 7.077 127.969 120.570 0.537 0.000 2.452 123 I HA -0.003 4.167 4.170 -0.001 0.000 0.287 123 I C -0.186 176.023 176.117 0.154 0.000 1.079 123 I CA -0.347 61.191 61.300 0.397 0.000 1.387 123 I CB 0.856 39.178 38.000 0.537 0.000 1.404 123 I HN 0.539 8.749 8.210 -0.000 0.000 0.522 124 L N 8.163 129.410 121.223 0.040 0.000 2.556 124 L HA 0.202 4.542 4.340 -0.001 0.000 0.245 124 L C 0.888 177.811 176.870 0.088 0.000 1.174 124 L CA -0.133 54.653 54.840 -0.091 0.000 1.117 124 L CB -0.223 41.751 42.059 -0.142 0.000 1.409 124 L HN 0.602 8.832 8.230 -0.000 0.000 0.411 125 W N 0.482 121.868 121.300 0.143 0.000 2.825 125 W HA 0.135 4.794 4.660 -0.001 0.000 0.243 125 W C 0.445 176.940 176.519 -0.040 0.000 1.293 125 W CA -0.485 56.895 57.345 0.058 0.000 1.403 125 W CB -0.369 29.125 29.460 0.057 0.000 1.134 125 W HN 0.363 8.543 8.180 -0.000 0.000 0.666 126 K N 1.320 121.610 120.400 -0.183 0.000 2.507 126 K HA 0.277 4.596 4.320 -0.001 0.000 0.251 126 K C 0.026 176.414 176.600 -0.354 0.000 0.943 126 K CA -0.459 55.522 56.287 -0.509 0.000 0.794 126 K CB 2.173 33.787 32.500 -1.476 0.000 1.188 126 K HN -0.188 8.062 8.250 -0.000 0.000 0.428 127 S N 3.209 118.787 115.700 -0.203 0.000 2.560 127 S HA 0.005 4.475 4.470 -0.001 0.000 0.276 127 S C 1.391 176.012 174.600 0.035 0.000 1.350 127 S CA -0.114 58.046 58.200 -0.067 0.000 1.024 127 S CB 0.305 63.479 63.200 -0.044 0.000 0.864 127 S HN 0.640 8.950 8.310 -0.000 0.000 0.536 128 L N 1.707 122.982 121.223 0.087 0.000 2.005 128 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 128 L C 2.291 179.246 176.870 0.142 0.000 1.072 128 L CA 1.548 56.489 54.840 0.168 0.000 0.744 128 L CB -0.749 41.366 42.059 0.093 0.000 0.895 128 L HN 0.645 8.875 8.230 -0.000 0.000 0.433 129 D N -0.562 119.879 120.400 0.070 0.000 2.133 129 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 129 D C 2.331 178.665 176.300 0.057 0.000 0.997 129 D CA 1.582 55.613 54.000 0.052 0.000 0.840 129 D CB -0.135 40.681 40.800 0.028 0.000 0.947 129 D HN 0.155 8.525 8.370 -0.000 0.000 0.452 130 S N -0.782 114.928 115.700 0.017 0.000 2.351 130 S HA -0.188 4.282 4.470 -0.001 0.000 0.220 130 S C 1.972 176.586 174.600 0.023 0.000 1.035 130 S CA 1.491 59.666 58.200 -0.043 0.000 1.031 130 S CB -0.607 62.480 63.200 -0.188 0.000 0.928 130 S HN 0.428 8.738 8.310 -0.000 0.000 0.433 131 W N 1.612 122.925 121.300 0.021 0.000 2.321 131 W HA -0.122 4.538 4.660 -0.000 0.000 0.306 131 W C 2.850 179.388 176.519 0.031 0.000 1.217 131 W CA 0.847 58.220 57.345 0.046 0.000 1.257 131 W CB -0.709 28.752 29.460 0.000 0.000 1.145 131 W HN 0.452 8.632 8.180 -0.000 0.000 0.509 132 A N 0.047 123.013 122.820 0.244 0.000 1.903 132 A HA -0.308 4.012 4.320 -0.001 0.000 0.219 132 A C 1.987 179.645 177.584 0.125 0.000 1.191 132 A CA 2.717 54.823 52.037 0.115 0.000 0.638 132 A CB -1.283 17.755 19.000 0.063 0.000 0.823 132 A HN 0.248 8.398 8.150 -0.000 0.000 0.451 133 S N -0.670 115.111 115.700 0.135 0.000 2.348 133 S HA -0.142 4.327 4.470 -0.001 0.000 0.221 133 S C 1.888 176.628 174.600 0.234 0.000 1.033 133 S CA 1.396 59.683 58.200 0.146 0.000 1.010 133 S CB -0.558 62.707 63.200 0.109 0.000 0.891 133 S HN 0.533 8.843 8.310 -0.000 0.000 0.442 134 L N 2.080 123.478 121.223 0.292 0.000 2.043 134 L HA -0.096 4.243 4.340 -0.001 0.000 0.212 134 L C 1.862 179.083 176.870 0.585 0.000 1.075 134 L CA 1.619 56.735 54.840 0.460 0.000 0.752 134 L CB -0.646 41.733 42.059 0.535 0.000 0.891 134 L HN 0.324 8.554 8.230 -0.000 0.000 0.432 135 I N -1.439 119.370 120.570 0.399 0.000 2.133 135 I HA -0.258 3.912 4.170 -0.001 0.000 0.238 135 I C 2.398 178.771 176.117 0.426 0.000 1.074 135 I CA 1.199 62.598 61.300 0.165 0.000 1.342 135 I CB -0.609 37.229 38.000 -0.270 0.000 1.053 135 I HN 0.343 8.553 8.210 -0.000 0.000 0.404 136 L N 0.910 122.312 121.223 0.298 0.000 2.034 136 L HA -0.311 4.029 4.340 -0.001 0.000 0.217 136 L C 2.532 179.628 176.870 0.376 0.000 1.077 136 L CA 1.979 56.986 54.840 0.278 0.000 0.769 136 L CB -1.072 41.062 42.059 0.125 0.000 0.890 136 L HN 0.305 8.535 8.230 -0.000 0.000 0.435 137 Q N -0.994 119.015 119.800 0.348 0.000 1.998 137 Q HA -0.329 4.011 4.340 -0.001 0.000 0.209 137 Q C 2.128 178.360 176.000 0.387 0.000 1.002 137 Q CA 3.017 59.029 55.803 0.348 0.000 0.858 137 Q CB -0.937 28.037 28.738 0.394 0.000 0.932 137 Q HN 0.757 9.027 8.270 -0.000 0.000 0.416 138 W N 0.392 121.792 121.300 0.167 0.000 2.290 138 W HA -0.324 4.336 4.660 -0.001 0.000 0.328 138 W C 1.948 178.417 176.519 -0.083 0.000 1.272 138 W CA 2.526 59.776 57.345 -0.159 0.000 1.262 138 W CB -0.998 28.110 29.460 -0.586 0.000 1.151 138 W HN 0.215 8.395 8.180 -0.000 0.000 0.473 139 F N 0.954 121.013 119.950 0.182 0.000 2.063 139 F HA -0.327 4.199 4.527 -0.001 0.000 0.298 139 F C 2.510 178.204 175.800 -0.176 0.000 1.105 139 F CA 2.679 60.634 58.000 -0.075 0.000 1.215 139 F CB -1.090 37.989 39.000 0.131 0.000 0.972 139 F HN 0.033 8.333 8.300 -0.000 0.000 0.483 140 E N -0.457 119.836 120.200 0.156 0.000 2.047 140 E HA -0.202 4.148 4.350 -0.001 0.000 0.191 140 E C 1.398 178.001 176.600 0.005 0.000 0.987 140 E CA 1.410 57.854 56.400 0.074 0.000 0.799 140 E CB -0.362 29.401 29.700 0.105 0.000 0.752 140 E HN 0.342 8.702 8.360 -0.000 0.000 0.449 141 D N -0.159 120.261 120.400 0.034 0.000 2.390 141 D HA -0.009 4.631 4.640 -0.001 0.000 0.235 141 D C 0.270 176.515 176.300 -0.092 0.000 1.040 141 D CA 0.507 54.534 54.000 0.046 0.000 0.923 141 D CB 0.173 41.107 40.800 0.224 0.000 0.886 141 D HN -0.072 8.298 8.370 -0.000 0.000 0.532 142 S N -1.961 113.575 115.700 -0.273 0.000 2.960 142 S HA 0.328 4.798 4.470 -0.001 0.000 0.256 142 S C 1.596 176.022 174.600 -0.290 0.000 1.017 142 S CA -0.076 57.878 58.200 -0.410 0.000 1.144 142 S CB 1.241 63.851 63.200 -0.984 0.000 1.109 142 S HN 0.287 8.597 8.310 -0.000 0.000 0.638 143 G N 3.048 111.751 108.800 -0.161 0.000 2.366 143 G HA2 -0.417 3.542 3.960 -0.001 0.000 0.263 143 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.263 143 G C 0.768 175.627 174.900 -0.068 0.000 0.986 143 G CA 1.234 46.283 45.100 -0.085 0.000 0.632 143 G HN 0.548 8.838 8.290 -0.000 0.000 0.555 144 K N 0.003 120.320 120.400 -0.139 0.000 2.640 144 K HA 0.116 4.435 4.320 -0.001 0.000 0.193 144 K C 1.853 178.538 176.600 0.141 0.000 1.036 144 K CA 0.491 56.750 56.287 -0.046 0.000 0.962 144 K CB -0.156 32.232 32.500 -0.187 0.000 0.791 144 K HN 0.401 8.651 8.250 -0.000 0.000 0.491 145 L N 1.095 122.389 121.223 0.118 0.000 2.841 145 L HA -0.168 4.172 4.340 -0.001 0.000 0.249 145 L C 0.783 177.695 176.870 0.069 0.000 1.177 145 L CA 1.386 56.304 54.840 0.131 0.000 0.864 145 L CB -0.784 41.317 42.059 0.071 0.000 1.026 145 L HN 0.193 8.423 8.230 -0.000 0.000 0.457 146 N N -2.987 115.760 118.700 0.078 0.000 2.028 146 N HA 0.064 4.804 4.740 -0.001 0.000 0.230 146 N C 0.537 176.081 175.510 0.057 0.000 1.354 146 N CA -0.084 52.991 53.050 0.043 0.000 0.855 146 N CB 0.397 38.899 38.487 0.025 0.000 1.111 146 N HN 0.393 8.773 8.380 -0.000 0.000 0.480 147 Q N -0.327 119.529 119.800 0.094 0.000 2.527 147 Q HA 0.337 4.677 4.340 -0.001 0.000 0.189 147 Q C -0.627 175.448 176.000 0.126 0.000 1.116 147 Q CA -0.130 55.733 55.803 0.099 0.000 1.169 147 Q CB 1.034 29.833 28.738 0.101 0.000 1.211 147 Q HN -0.097 8.173 8.270 -0.000 0.000 0.649 148 V N 1.614 121.598 119.914 0.116 0.000 2.340 148 V HA 0.347 4.467 4.120 -0.001 0.000 0.277 148 V C -0.702 175.474 176.094 0.137 0.000 1.017 148 V CA -0.334 62.035 62.300 0.114 0.000 0.820 148 V CB 0.742 32.603 31.823 0.064 0.000 1.028 148 V HN 0.517 8.707 8.190 -0.000 0.000 0.436 149 I N 4.129 124.825 120.570 0.210 0.000 2.525 149 I HA 0.652 4.821 4.170 -0.001 0.000 0.301 149 I C 0.840 177.042 176.117 0.142 0.000 0.992 149 I CA -0.090 61.321 61.300 0.185 0.000 1.162 149 I CB 2.365 40.506 38.000 0.235 0.000 1.332 149 I HN 0.699 8.909 8.210 -0.000 0.000 0.458 150 T N 4.335 118.950 114.554 0.102 0.000 2.816 150 T HA 0.304 4.653 4.350 -0.001 0.000 0.282 150 T C 1.242 175.974 174.700 0.053 0.000 0.993 150 T CA -0.736 61.410 62.100 0.077 0.000 0.994 150 T CB 1.186 70.102 68.868 0.080 0.000 1.025 150 T HN 0.611 8.851 8.240 -0.000 0.000 0.529 151 L N -0.413 120.826 121.223 0.027 0.000 2.156 151 L HA 0.030 4.370 4.340 -0.001 0.000 0.208 151 L C 2.460 179.301 176.870 -0.048 0.000 1.095 151 L CA 1.073 55.887 54.840 -0.042 0.000 0.770 151 L CB -0.758 41.267 42.059 -0.057 0.000 0.914 151 L HN 0.724 8.954 8.230 -0.000 0.000 0.439 152 Y N 1.358 121.606 120.300 -0.087 0.000 2.114 152 Y HA -0.295 4.254 4.550 -0.000 0.000 0.284 152 Y C 2.624 178.481 175.900 -0.071 0.000 1.143 152 Y CA 1.981 60.032 58.100 -0.082 0.000 1.135 152 Y CB -0.172 38.254 38.460 -0.056 0.000 0.980 152 Y HN 0.163 8.443 8.280 -0.000 0.000 0.499 153 E N -0.484 119.852 120.200 0.227 0.000 2.204 153 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 153 E C 2.003 178.560 176.600 -0.071 0.000 0.990 153 E CA 0.833 57.309 56.400 0.126 0.000 0.821 153 E CB -0.218 29.575 29.700 0.155 0.000 0.750 153 E HN 0.453 8.813 8.360 -0.000 0.000 0.477 154 L N 0.250 121.386 121.223 -0.146 0.000 2.141 154 L HA -0.127 4.213 4.340 -0.001 0.000 0.209 154 L C 2.276 179.004 176.870 -0.237 0.000 1.094 154 L CA 1.688 56.345 54.840 -0.305 0.000 0.763 154 L CB -0.493 41.385 42.059 -0.301 0.000 0.908 154 L HN 0.067 8.297 8.230 -0.000 0.000 0.437 155 S N -1.640 113.910 115.700 -0.251 0.000 2.338 155 S HA 0.053 4.522 4.470 -0.001 0.000 0.197 155 S C 0.911 175.337 174.600 -0.290 0.000 0.990 155 S CA -0.252 57.780 58.200 -0.281 0.000 0.920 155 S CB -0.258 62.702 63.200 -0.400 0.000 0.903 155 S HN 0.316 8.626 8.310 -0.000 0.000 0.542 160 T N 0.662 115.306 114.554 0.150 0.000 2.990 160 T HA 0.199 4.549 4.350 -0.001 0.000 0.249 160 T C 0.742 175.642 174.700 0.332 0.000 1.039 160 T CA 0.654 62.903 62.100 0.248 0.000 1.036 160 T CB 0.739 69.797 68.868 0.318 0.000 0.994 160 T HN 0.266 8.506 8.240 -0.000 0.000 0.489 161 V N 1.324 121.309 119.914 0.118 0.000 2.567 161 V HA 0.756 4.876 4.120 -0.001 0.000 0.289 161 V C -0.004 176.069 176.094 -0.036 0.000 1.049 161 V CA -0.690 61.566 62.300 -0.074 0.000 0.969 161 V CB 1.325 33.027 31.823 -0.201 0.000 0.995 161 V HN 0.231 8.421 8.190 -0.000 0.000 0.471 162 N N 2.382 121.269 118.700 0.311 0.000 2.278 162 N HA 0.158 4.898 4.740 -0.001 0.000 0.239 162 N C -0.591 175.068 175.510 0.249 0.000 1.411 162 N CA -0.379 52.733 53.050 0.103 0.000 0.908 162 N CB 0.280 38.760 38.487 -0.011 0.000 1.307 162 N HN 0.885 9.265 8.380 -0.000 0.000 0.522 163 W N 0.825 121.893 121.300 -0.387 0.000 2.225 163 W HA 0.271 4.931 4.660 -0.001 0.000 0.377 163 W C 1.442 177.844 176.519 -0.196 0.000 1.418 163 W CA -0.647 56.501 57.345 -0.329 0.000 1.562 163 W CB 0.568 29.686 29.460 -0.570 0.000 1.297 163 W HN 0.070 8.250 8.180 -0.000 0.000 0.686 164 E N 0.442 120.823 120.200 0.300 0.000 2.147 164 E HA -0.274 4.076 4.350 -0.001 0.000 0.199 164 E C 1.510 178.573 176.600 0.770 0.000 1.005 164 E CA 1.943 58.670 56.400 0.546 0.000 0.810 164 E CB -0.415 29.644 29.700 0.598 0.000 0.736 164 E HN 0.438 8.798 8.360 -0.000 0.000 0.460 165 F N 0.175 120.572 119.950 0.745 0.000 2.802 165 F HA 0.120 4.646 4.527 -0.001 0.000 0.300 165 F C 0.921 176.797 175.800 0.127 0.000 1.168 165 F CA -0.015 58.161 58.000 0.294 0.000 1.433 165 F CB -1.112 37.916 39.000 0.047 0.000 1.115 165 F HN -0.114 8.186 8.300 -0.000 0.000 0.582 166 H N 2.387 121.527 119.070 0.117 0.000 2.972 166 H HA 0.189 4.744 4.556 -0.001 0.000 0.343 166 H C 1.117 176.548 175.328 0.172 0.000 1.054 166 H CA 0.410 56.511 56.048 0.087 0.000 1.412 166 H CB 0.375 30.166 29.762 0.049 0.000 1.385 166 H HN 0.218 8.498 8.280 -0.000 0.000 0.600 167 R N 1.341 121.532 120.500 -0.515 0.000 3.922 167 R HA -0.212 4.127 4.340 -0.001 0.000 0.447 167 R C 0.000 176.085 176.300 -0.359 0.000 1.035 167 R CA 1.067 56.944 56.100 -0.372 0.000 1.289 167 R CB -2.129 28.084 30.300 -0.145 0.000 1.906 167 R HN 0.830 9.100 8.270 -0.000 0.000 0.540 168 M N 2.369 121.606 119.600 -0.605 0.000 2.239 168 M HA 0.162 4.642 4.480 -0.001 0.000 0.348 168 M C -1.787 173.933 176.300 -0.966 0.000 1.239 168 M CA -0.973 53.485 55.300 -1.403 0.000 1.114 168 M CB 0.661 32.427 32.600 -1.390 0.000 1.641 168 M HN -0.242 8.048 8.290 -0.000 0.000 0.453 169 P HA -0.042 4.378 4.420 -0.000 0.000 0.267 169 P C -0.339 176.657 177.300 -0.507 0.000 1.201 169 P CA 0.264 63.000 63.100 -0.607 0.000 0.775 169 P CB 0.429 31.775 31.700 -0.590 0.000 0.854 170 E N 0.747 120.757 120.200 -0.316 0.000 2.072 170 E HA -0.155 4.195 4.350 -0.001 0.000 0.190 170 E C 1.958 178.440 176.600 -0.197 0.000 0.982 170 E CA 1.677 57.934 56.400 -0.238 0.000 0.803 170 E CB -0.368 29.248 29.700 -0.140 0.000 0.755 170 E HN 0.552 8.912 8.360 -0.000 0.000 0.453 171 S N 1.520 117.118 115.700 -0.169 0.000 2.374 171 S HA -0.165 4.305 4.470 -0.001 0.000 0.227 171 S C 2.091 176.682 174.600 -0.014 0.000 1.037 171 S CA 1.007 59.157 58.200 -0.083 0.000 1.024 171 S CB -0.551 62.630 63.200 -0.031 0.000 0.861 171 S HN 0.187 8.497 8.310 -0.000 0.000 0.456 172 L N -0.070 120.974 121.223 -0.298 0.000 2.270 172 L HA 0.144 4.483 4.340 -0.001 0.000 0.210 172 L C 2.558 179.252 176.870 -0.293 0.000 1.104 172 L CA 0.324 54.862 54.840 -0.504 0.000 0.804 172 L CB -0.578 40.482 42.059 -1.665 0.000 0.937 172 L HN 0.283 8.513 8.230 -0.000 0.000 0.450 173 L N -0.144 120.862 121.223 -0.362 0.000 2.046 173 L HA -0.251 4.089 4.340 -0.001 0.000 0.208 173 L C 2.524 179.290 176.870 -0.174 0.000 1.077 173 L CA 1.837 56.480 54.840 -0.328 0.000 0.747 173 L CB -0.927 40.917 42.059 -0.357 0.000 0.896 173 L HN 0.220 8.450 8.230 -0.000 0.000 0.432 174 Y N -0.712 119.444 120.300 -0.241 0.000 2.151 174 Y HA -0.364 4.186 4.550 -0.001 0.000 0.284 174 Y C 2.273 178.016 175.900 -0.262 0.000 1.166 174 Y CA 2.178 60.114 58.100 -0.272 0.000 1.163 174 Y CB -0.793 37.447 38.460 -0.367 0.000 0.974 174 Y HN 0.312 8.592 8.280 -0.000 0.000 0.511 175 Y N -1.217 118.992 120.300 -0.153 0.000 2.421 175 Y HA -0.194 4.356 4.550 -0.001 0.000 0.292 175 Y C 2.617 178.426 175.900 -0.152 0.000 1.136 175 Y CA 1.206 59.199 58.100 -0.177 0.000 1.255 175 Y CB -0.549 37.959 38.460 0.081 0.000 0.991 175 Y HN 0.239 8.519 8.280 -0.000 0.000 0.552 176 C N -0.956 118.343 119.300 -0.001 0.000 2.495 176 C HA 0.024 4.484 4.460 -0.001 0.000 0.275 176 C C 2.465 177.397 174.990 -0.096 0.000 1.392 176 C CA 0.222 59.236 59.018 -0.007 0.000 1.766 176 C CB -1.121 26.598 27.740 -0.035 0.000 1.933 176 C HN 0.496 8.726 8.230 -0.000 0.000 0.519 177 L N 0.715 121.815 121.223 -0.205 0.000 2.162 177 L HA -0.004 4.336 4.340 -0.001 0.000 0.205 177 L C 2.545 179.269 176.870 -0.244 0.000 1.086 177 L CA 0.871 55.582 54.840 -0.215 0.000 0.778 177 L CB -0.543 41.382 42.059 -0.224 0.000 0.928 177 L HN 0.100 8.330 8.230 -0.000 0.000 0.446 178 K N 0.950 121.121 120.400 -0.381 0.000 2.071 178 K HA -0.222 4.097 4.320 -0.001 0.000 0.217 178 K C -0.642 175.853 176.600 -0.175 0.000 1.054 178 K CA 2.134 58.210 56.287 -0.353 0.000 0.937 178 K CB -1.410 30.842 32.500 -0.415 0.000 0.719 178 K HN 0.097 8.347 8.250 -0.000 0.000 0.454 179 P HA -0.167 4.253 4.420 -0.000 0.000 0.217 179 P C 0.897 178.157 177.300 -0.067 0.000 1.148 179 P CA 1.020 64.083 63.100 -0.061 0.000 0.834 179 P CB 0.056 31.741 31.700 -0.026 0.000 0.783 180 L N -1.707 119.460 121.223 -0.094 0.000 2.156 180 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 180 L C 2.361 179.172 176.870 -0.099 0.000 1.095 180 L CA 1.482 56.262 54.840 -0.099 0.000 0.770 180 L CB -1.438 40.537 42.059 -0.139 0.000 0.914 180 L HN 0.046 8.276 8.230 -0.000 0.000 0.439 181 C N -0.946 118.289 119.300 -0.108 0.000 2.440 181 C HA -0.055 4.404 4.460 -0.001 0.000 0.278 181 C C 0.988 175.940 174.990 -0.063 0.000 1.295 181 C CA -0.474 58.491 59.018 -0.088 0.000 1.738 181 C CB -0.750 26.934 27.740 -0.094 0.000 1.987 181 C HN 0.408 8.638 8.230 -0.000 0.000 0.492 182 D N -0.363 120.002 120.400 -0.059 0.000 2.344 182 D HA 0.263 4.903 4.640 -0.001 0.000 0.244 182 D C 0.682 176.959 176.300 -0.037 0.000 1.134 182 D CA -0.031 53.946 54.000 -0.039 0.000 0.930 182 D CB 0.153 40.934 40.800 -0.032 0.000 1.175 182 D HN 0.257 8.627 8.370 -0.000 0.000 0.437 183 R N 0.076 120.560 120.500 -0.026 0.000 3.963 183 R HA -0.229 4.111 4.340 -0.001 0.000 0.394 183 R C -0.418 175.864 176.300 -0.030 0.000 1.131 183 R CA 0.560 56.645 56.100 -0.024 0.000 1.059 183 R CB -2.132 28.154 30.300 -0.023 0.000 1.614 183 R HN 0.509 8.779 8.270 -0.000 0.000 0.546 184 N N 0.211 118.890 118.700 -0.034 0.000 2.696 184 N HA -0.248 4.491 4.740 -0.001 0.000 0.254 184 N C 0.414 175.896 175.510 -0.046 0.000 0.988 184 N CA 1.456 54.483 53.050 -0.038 0.000 0.775 184 N CB -0.404 38.067 38.487 -0.027 0.000 0.933 184 N HN 0.438 8.818 8.380 -0.000 0.000 0.539 185 R N -1.258 119.205 120.500 -0.061 0.000 2.334 185 R HA 0.482 4.821 4.340 -0.001 0.000 0.212 185 R C 0.426 176.659 176.300 -0.113 0.000 0.897 185 R CA 0.640 56.694 56.100 -0.076 0.000 1.056 185 R CB 0.574 30.829 30.300 -0.074 0.000 1.046 185 R HN 0.352 8.622 8.270 -0.000 0.000 0.513 186 A N 0.125 122.879 122.820 -0.111 0.000 2.606 186 A HA 0.671 4.990 4.320 -0.001 0.000 0.293 186 A C -1.052 176.476 177.584 -0.094 0.000 1.082 186 A CA -0.463 51.495 52.037 -0.133 0.000 0.685 186 A CB 1.689 20.573 19.000 -0.193 0.000 1.284 186 A HN 0.003 8.153 8.150 -0.000 0.000 0.408 187 T N 1.534 116.038 114.554 -0.084 0.000 2.881 187 T HA 0.610 4.960 4.350 -0.001 0.000 0.290 187 T C -0.286 174.387 174.700 -0.045 0.000 1.000 187 T CA -0.320 61.748 62.100 -0.054 0.000 0.978 187 T CB 1.169 70.013 68.868 -0.039 0.000 0.997 187 T HN 0.581 8.821 8.240 -0.000 0.000 0.443 188 M N 3.032 122.616 119.600 -0.028 0.000 2.423 188 M HA 0.549 5.028 4.480 -0.001 0.000 0.335 188 M C -0.915 175.384 176.300 -0.003 0.000 1.177 188 M CA -0.808 54.487 55.300 -0.008 0.000 1.038 188 M CB 1.295 33.909 32.600 0.022 0.000 1.641 188 M HN 0.326 8.616 8.290 -0.000 0.000 0.455 189 L N 3.236 124.459 121.223 -0.000 0.000 2.349 189 L HA 0.537 4.877 4.340 -0.001 0.000 0.278 189 L C -0.268 176.595 176.870 -0.013 0.000 0.996 189 L CA -0.908 53.929 54.840 -0.005 0.000 0.825 189 L CB 1.286 43.345 42.059 -0.001 0.000 1.243 189 L HN 0.692 8.922 8.230 -0.000 0.000 0.412 190 K N 0.493 120.880 120.400 -0.022 0.000 2.168 190 K HA 0.576 4.895 4.320 -0.001 0.000 0.239 190 K C -1.024 175.556 176.600 -0.034 0.000 0.999 190 K CA -0.848 55.416 56.287 -0.037 0.000 0.900 190 K CB 1.881 34.351 32.500 -0.051 0.000 1.111 190 K HN 0.499 8.749 8.250 -0.000 0.000 0.452 191 D N -0.924 119.450 120.400 -0.042 0.000 2.539 191 D HA -0.053 4.587 4.640 -0.001 0.000 0.276 191 D C 0.955 177.232 176.300 -0.037 0.000 1.206 191 D CA -0.413 53.564 54.000 -0.037 0.000 1.081 191 D CB 0.271 41.047 40.800 -0.040 0.000 1.142 191 D HN 0.755 9.125 8.370 -0.000 0.000 0.595 192 E N -0.320 119.860 120.200 -0.033 0.000 2.187 192 E HA -0.297 4.052 4.350 -0.001 0.000 0.199 192 E C -0.032 176.547 176.600 -0.035 0.000 1.004 192 E CA 1.294 57.675 56.400 -0.031 0.000 0.813 192 E CB -0.724 28.959 29.700 -0.028 0.000 0.736 192 E HN 0.433 8.793 8.360 -0.000 0.000 0.468 193 N N 1.638 120.314 118.700 -0.041 0.000 2.920 193 N HA 0.096 4.836 4.740 -0.001 0.000 0.310 193 N C -1.321 174.154 175.510 -0.058 0.000 1.384 193 N CA 0.032 53.055 53.050 -0.046 0.000 1.083 193 N CB 0.562 39.021 38.487 -0.047 0.000 1.389 193 N HN 0.092 8.472 8.380 -0.000 0.000 0.521 194 D N 0.869 121.237 120.400 -0.054 0.000 2.808 194 D HA -0.259 4.381 4.640 -0.001 0.000 0.220 194 D C -0.142 176.103 176.300 -0.092 0.000 1.215 194 D CA 1.094 55.056 54.000 -0.064 0.000 0.608 194 D CB -0.338 40.426 40.800 -0.058 0.000 1.005 194 D HN 0.449 8.819 8.370 -0.000 0.000 0.403 195 K N 0.531 120.876 120.400 -0.092 0.000 2.307 195 K HA 0.397 4.716 4.320 -0.001 0.000 0.263 195 K C -0.379 176.152 176.600 -0.115 0.000 0.973 195 K CA -0.864 55.348 56.287 -0.124 0.000 0.846 195 K CB 1.171 33.609 32.500 -0.103 0.000 1.100 195 K HN -0.091 8.159 8.250 -0.000 0.000 0.438 196 V N 6.544 126.363 119.914 -0.159 0.000 2.557 196 V HA -0.086 4.033 4.120 -0.001 0.000 0.301 196 V C 1.090 177.145 176.094 -0.066 0.000 1.026 196 V CA 0.425 62.669 62.300 -0.093 0.000 1.137 196 V CB 0.541 32.323 31.823 -0.068 0.000 0.917 196 V HN 0.806 8.996 8.190 -0.000 0.000 0.484 197 I N 3.143 123.693 120.570 -0.032 0.000 4.338 197 I HA 0.408 4.578 4.170 -0.001 0.000 0.315 197 I C 0.837 176.958 176.117 0.008 0.000 1.262 197 I CA 0.856 62.145 61.300 -0.017 0.000 1.298 197 I CB -0.025 37.962 38.000 -0.022 0.000 1.257 197 I HN 0.678 8.888 8.210 -0.000 0.000 0.444 198 A N 0.786 123.614 122.820 0.014 0.000 2.524 198 A HA 0.852 5.171 4.320 -0.001 0.000 0.289 198 A C -1.252 176.353 177.584 0.034 0.000 1.248 198 A CA -0.434 51.625 52.037 0.036 0.000 0.712 198 A CB 2.761 21.785 19.000 0.041 0.000 1.312 198 A HN 0.030 8.180 8.150 -0.000 0.000 0.441 199 I N -0.717 119.887 120.570 0.057 0.000 2.882 199 I HA 0.446 4.616 4.170 -0.001 0.000 0.298 199 I C -1.833 174.309 176.117 0.041 0.000 1.462 199 I CA -0.691 60.624 61.300 0.025 0.000 1.000 199 I CB 2.244 40.239 38.000 -0.008 0.000 1.340 199 I HN 0.831 9.041 8.210 -0.000 0.000 0.462 200 K N 5.575 125.958 120.400 -0.028 0.000 2.507 200 K HA 0.565 4.885 4.320 -0.001 0.000 0.252 200 K C -0.970 175.537 176.600 -0.154 0.000 0.943 200 K CA -0.711 55.555 56.287 -0.035 0.000 0.808 200 K CB 2.192 34.689 32.500 -0.004 0.000 1.142 200 K HN 0.354 8.604 8.250 -0.000 0.000 0.426 201 V N 0.375 120.114 119.914 -0.291 0.000 2.737 201 V HA 0.219 4.338 4.120 -0.001 0.000 0.320 201 V C 0.244 176.211 176.094 -0.212 0.000 1.174 201 V CA -0.717 61.364 62.300 -0.365 0.000 1.355 201 V CB 0.049 31.420 31.823 -0.753 0.000 1.558 201 V HN 0.547 8.737 8.190 -0.000 0.000 0.618 202 V N 0.000 119.850 119.914 -0.107 0.000 2.409 202 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 202 V CA 0.000 62.268 62.300 -0.053 0.000 1.235 202 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 202 V HN 0.000 8.190 8.190 -0.000 0.000 0.556