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 1p1d_11_A DATA FIRST_RESID 18 DATA SEQUENCE QVVHTETTEV VLTADPVTGF GIQLQGSVFA TETLSSPPLI SYIEADSPAE DATA SEQUENCE RCGVLQIGDR VMAINGIPTE DSTFEEANQL LRDSSITSKV TLEIEFDVAE DATA SEQUENCE SVIPSSGTFH VKLPKKHSVE LGITISSPSS RKPGDPLVIS DIKKGSVAHR DATA SEQUENCE TGTLELGDKL LAIDNIRLDS CSMEDAVQIL QQCEDLVKLK IRKDED 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 18 Q HA 0.000 4.357 4.340 0.029 0.000 0.214 18 Q C 0.000 176.027 176.000 0.046 0.000 1.003 18 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 18 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 19 V N 4.568 124.522 119.914 0.067 0.000 2.444 19 V HA 0.323 4.484 4.120 0.068 0.000 0.294 19 V C -0.873 175.279 176.094 0.097 0.000 1.022 19 V CA -0.314 62.035 62.300 0.082 0.000 0.850 19 V CB 1.090 32.970 31.823 0.095 0.000 0.992 19 V HN 0.185 8.421 8.190 0.076 0.000 0.426 20 V N 3.346 123.313 119.914 0.088 0.000 2.380 20 V HA 0.374 4.694 4.120 0.115 -0.132 0.272 20 V C -1.091 175.060 176.094 0.095 0.000 1.011 20 V CA -0.966 61.392 62.300 0.095 0.000 0.826 20 V CB 0.680 32.547 31.823 0.073 0.000 1.040 20 V HN 0.052 8.286 8.190 0.072 0.000 0.441 21 H N 7.325 126.412 119.070 0.028 0.000 2.944 21 H HA 0.062 4.622 4.556 0.007 0.000 0.278 21 H C 0.023 175.348 175.328 -0.007 0.000 1.083 21 H CA 0.107 56.159 56.048 0.007 0.000 1.479 21 H CB 0.627 30.387 29.762 -0.002 0.000 1.486 21 H HN 0.213 8.622 8.280 0.216 0.000 0.493 22 T N 6.782 121.170 114.554 -0.276 0.000 2.937 22 T HA -0.180 4.236 4.350 -0.067 -0.106 0.316 22 T C -0.207 174.407 174.700 -0.143 0.000 1.079 22 T CA 1.414 63.406 62.100 -0.179 0.000 1.131 22 T CB 0.734 69.483 68.868 -0.199 0.000 1.000 22 T HN 0.184 8.196 8.240 -0.381 0.000 0.549 23 E N 1.584 121.689 120.200 -0.159 0.000 2.437 23 E HA 0.216 4.498 4.350 -0.114 0.000 0.280 23 E C -1.723 174.637 176.600 -0.400 0.000 1.044 23 E CA -1.068 55.213 56.400 -0.198 0.000 0.826 23 E CB 4.620 34.225 29.700 -0.159 0.000 1.358 23 E HN 0.648 8.894 8.360 -0.190 0.000 0.459 24 T N 0.996 115.351 114.554 -0.333 0.000 2.952 24 T HA 0.595 4.788 4.350 -0.448 -0.113 0.286 24 T C -0.611 173.872 174.700 -0.362 0.000 1.024 24 T CA -1.232 60.656 62.100 -0.353 0.000 1.029 24 T CB 1.808 70.571 68.868 -0.175 0.000 1.094 24 T HN 0.139 8.245 8.240 -0.223 0.000 0.515 25 T N 2.490 116.878 114.554 -0.278 0.000 2.840 25 T HA 0.303 4.629 4.350 -0.040 0.000 0.317 25 T C -2.225 172.491 174.700 0.026 0.000 1.401 25 T CA -0.736 61.318 62.100 -0.077 0.000 1.028 25 T CB 2.800 71.708 68.868 0.067 0.000 1.317 25 T HN 0.938 8.939 8.240 -0.248 0.090 0.495 26 E N 3.158 123.397 120.200 0.066 0.000 2.232 26 E HA 0.710 5.261 4.350 0.056 -0.167 0.265 26 E C -1.911 174.745 176.600 0.093 0.000 1.001 26 E CA -2.094 54.346 56.400 0.067 0.000 0.870 26 E CB 2.138 31.868 29.700 0.049 0.000 1.175 26 E HN 0.319 8.724 8.360 0.074 0.000 0.407 27 V N -1.329 118.634 119.914 0.082 0.000 2.962 27 V HA 0.294 4.463 4.120 0.083 0.000 0.313 27 V C -1.333 174.803 176.094 0.070 0.000 1.099 27 V CA -1.451 60.898 62.300 0.082 0.000 0.971 27 V CB 3.316 35.194 31.823 0.091 0.000 1.028 27 V HN 0.698 8.832 8.190 0.071 0.099 0.430 28 V N 4.146 124.096 119.914 0.060 0.000 2.349 28 V HA 0.417 4.736 4.120 0.066 -0.159 0.284 28 V C -1.019 175.105 176.094 0.050 0.000 1.014 28 V CA -0.751 61.581 62.300 0.054 0.000 0.826 28 V CB 1.157 33.001 31.823 0.035 0.000 1.009 28 V HN 0.163 8.386 8.190 0.054 0.000 0.431 29 L N 9.592 130.875 121.223 0.099 0.000 2.280 29 L HA 0.398 4.740 4.340 0.003 0.000 0.287 29 L C -1.110 175.806 176.870 0.078 0.000 1.023 29 L CA -1.300 53.611 54.840 0.118 0.000 0.819 29 L CB 0.900 43.167 42.059 0.346 0.000 1.212 29 L HN 1.085 9.282 8.230 0.125 0.108 0.420 30 T N 1.060 115.463 114.554 -0.252 0.000 2.952 30 T HA 0.304 4.753 4.350 -0.032 -0.119 0.286 30 T C -1.795 172.408 174.700 -0.829 0.000 1.024 30 T CA -1.811 60.119 62.100 -0.283 0.000 1.029 30 T CB 2.194 70.960 68.868 -0.170 0.000 1.094 30 T HN 0.210 8.269 8.240 -0.301 0.000 0.515 31 A N -0.096 122.545 122.820 -0.297 0.000 2.295 31 A HA 0.125 4.136 4.320 -0.515 0.000 0.318 31 A C -1.783 175.730 177.584 -0.117 0.000 1.134 31 A CA -0.987 50.966 52.037 -0.139 0.000 0.827 31 A CB 1.183 20.381 19.000 0.330 0.000 1.136 31 A HN -0.195 7.839 8.150 -0.048 0.087 0.493 32 D N -0.917 119.446 120.400 -0.062 0.000 2.601 32 D HA 0.250 4.867 4.640 -0.038 0.000 0.230 32 D C -0.984 175.327 176.300 0.018 0.000 1.106 32 D CA -2.206 51.771 54.000 -0.038 0.000 0.873 32 D CB 2.103 42.859 40.800 -0.072 0.000 1.515 32 D HN -0.115 8.255 8.370 -0.000 0.000 0.468 33 P HA 0.246 4.686 4.420 0.034 0.000 0.255 33 P C -1.381 175.932 177.300 0.021 0.000 1.427 33 P CA 0.810 63.924 63.100 0.023 0.000 0.863 33 P CB 0.580 32.289 31.700 0.015 0.000 1.444 34 V N -1.923 118.003 119.914 0.020 0.000 3.177 34 V HA 0.145 4.278 4.120 0.021 0.000 0.219 34 V C 0.440 176.553 176.094 0.031 0.000 1.344 34 V CA 1.438 63.749 62.300 0.020 0.000 1.324 34 V CB 1.522 33.350 31.823 0.009 0.000 1.165 34 V HN -0.174 7.907 8.190 0.017 0.119 0.510 35 T N 1.101 115.673 114.554 0.031 0.000 4.143 35 T HA 0.047 4.440 4.350 0.071 0.000 0.306 35 T C -1.155 173.578 174.700 0.055 0.000 0.925 35 T CA -0.810 61.322 62.100 0.052 0.000 1.014 35 T CB -0.341 68.554 68.868 0.045 0.000 1.115 35 T HN -0.435 7.813 8.240 0.013 0.000 0.464 36 G N 0.116 108.942 108.800 0.043 0.000 2.349 36 G HA2 -0.219 3.753 3.960 -0.227 0.000 0.232 36 G HA3 -0.219 3.767 3.960 -0.085 -0.077 0.232 36 G C 0.209 175.177 174.900 0.113 0.000 1.240 36 G CA 0.425 45.478 45.100 -0.078 0.000 0.870 36 G HN -0.787 7.534 8.290 0.052 0.000 0.528 37 F N -2.122 117.840 119.950 0.019 0.000 2.563 37 F HA -0.434 4.106 4.527 0.021 0.000 0.351 37 F C -0.693 175.128 175.800 0.036 0.000 1.086 37 F CA 0.571 58.587 58.000 0.025 0.000 1.174 37 F CB -2.061 36.955 39.000 0.027 0.000 1.590 37 F HN -0.246 7.693 8.300 -0.602 0.000 0.808 38 G N -1.083 107.786 108.800 0.116 0.000 3.518 38 G HA2 -0.020 4.028 3.960 0.148 0.000 0.273 38 G HA3 -0.020 3.985 3.960 0.075 0.000 0.273 38 G C -1.032 173.941 174.900 0.122 0.000 1.199 38 G CA -0.523 44.647 45.100 0.115 0.000 0.899 38 G HN 0.055 8.366 8.290 0.036 0.000 0.533 39 I N -6.289 114.360 120.570 0.132 0.000 2.530 39 I HA 0.506 4.845 4.170 0.086 -0.117 0.297 39 I C -1.940 174.274 176.117 0.161 0.000 1.011 39 I CA -2.357 59.011 61.300 0.113 0.000 1.107 39 I CB 2.866 40.903 38.000 0.063 0.000 1.285 39 I HN -0.857 7.356 8.210 0.163 0.094 0.436 40 Q N 3.518 123.434 119.800 0.192 0.000 2.230 40 Q HA 0.206 4.632 4.340 0.144 0.000 0.253 40 Q C -1.078 174.996 176.000 0.123 0.000 0.919 40 Q CA -1.128 54.775 55.803 0.166 0.000 0.908 40 Q CB 2.328 31.182 28.738 0.195 0.000 1.245 40 Q HN 0.774 9.030 8.270 0.217 0.144 0.437 41 L N 3.854 125.141 121.223 0.107 0.000 2.305 41 L HA 0.447 5.017 4.340 0.090 -0.176 0.284 41 L C -0.564 176.365 176.870 0.098 0.000 1.013 41 L CA -0.982 53.917 54.840 0.098 0.000 0.819 41 L CB 1.262 43.381 42.059 0.099 0.000 1.227 41 L HN 0.333 8.625 8.230 0.104 0.000 0.417 42 Q N 3.525 123.368 119.800 0.071 0.000 2.316 42 Q HA 0.017 4.380 4.340 0.038 0.000 0.215 42 Q C -0.407 175.607 176.000 0.024 0.000 1.020 42 Q CA -0.240 55.582 55.803 0.032 0.000 0.970 42 Q CB 2.668 31.402 28.738 -0.006 0.000 1.187 42 Q HN 0.581 8.757 8.270 0.066 0.134 0.546 43 G N -0.368 108.355 108.800 -0.127 0.000 4.485 43 G HA2 0.154 4.065 3.960 -0.082 0.000 0.238 43 G HA3 0.154 4.017 3.960 -0.162 0.000 0.238 43 G C -2.129 172.326 174.900 -0.741 0.000 1.216 43 G CA 0.247 45.176 45.100 -0.284 0.000 0.611 43 G HN 0.237 8.413 8.290 -0.190 0.000 0.422 44 S N -0.802 114.621 115.700 -0.462 0.000 2.467 44 S HA 0.083 4.095 4.470 -0.762 0.000 0.320 44 S C -2.095 172.224 174.600 -0.469 0.000 0.940 44 S CA -0.032 57.805 58.200 -0.605 0.000 0.896 44 S CB 0.847 63.675 63.200 -0.620 0.000 1.172 44 S HN -0.579 7.562 8.310 -0.280 0.000 0.450 45 V N 6.425 125.988 119.914 -0.585 0.000 3.668 45 V HA -0.059 3.915 4.120 -0.243 0.000 0.199 45 V C 0.842 176.719 176.094 -0.362 0.000 1.241 45 V CA 1.050 63.163 62.300 -0.312 0.000 1.308 45 V CB -0.143 31.646 31.823 -0.056 0.000 1.411 45 V HN 0.207 7.820 8.190 -0.961 0.000 0.535 46 F N 1.707 121.631 119.950 -0.044 0.000 2.085 46 F HA -0.352 4.161 4.527 -0.024 0.000 0.299 46 F C 0.266 176.047 175.800 -0.033 0.000 1.096 46 F CA 0.434 58.415 58.000 -0.031 0.000 1.227 46 F CB -1.060 37.926 39.000 -0.023 0.000 0.983 46 F HN -0.361 7.999 8.300 0.101 0.000 0.482 47 A N 1.369 123.649 122.820 -0.901 0.000 2.091 47 A HA -0.450 3.530 4.320 -0.566 0.000 0.270 47 A C -0.608 176.968 177.584 -0.013 0.000 1.368 47 A CA 0.925 52.701 52.037 -0.435 0.000 0.745 47 A CB -1.946 16.856 19.000 -0.330 0.000 1.173 47 A HN -0.079 6.581 8.150 -2.471 0.007 0.322 48 T N -1.059 113.635 114.554 0.233 0.000 4.111 48 T HA -0.113 4.305 4.350 0.114 0.000 0.370 48 T C -1.623 173.205 174.700 0.215 0.000 0.846 48 T CA -0.398 61.812 62.100 0.184 0.000 0.979 48 T CB 0.878 69.821 68.868 0.125 0.000 1.246 48 T HN -0.275 8.251 8.240 0.475 0.000 0.443 49 E N 5.936 126.224 120.200 0.146 0.000 7.670 49 E HA -0.344 4.051 4.350 0.076 0.000 0.463 49 E C -1.423 175.223 176.600 0.077 0.000 0.435 49 E CA 0.914 57.368 56.400 0.091 0.000 0.770 49 E CB 0.280 30.009 29.700 0.047 0.000 0.972 49 E HN 0.399 8.833 8.360 0.124 0.000 0.272 50 T N 0.658 115.238 114.554 0.043 0.000 0.542 50 T HA -0.360 4.002 4.350 0.020 0.000 0.774 50 T C -0.892 173.822 174.700 0.022 0.000 0.992 50 T CA 1.351 63.447 62.100 -0.006 0.000 4.076 50 T CB -0.310 68.500 68.868 -0.096 0.000 2.303 50 T HN -0.089 8.179 8.240 0.046 0.000 0.398 51 L N -2.683 118.475 121.223 -0.109 0.000 3.821 51 L HA 0.157 4.610 4.340 0.188 0.000 0.188 51 L C 0.235 176.841 176.870 -0.439 0.000 1.156 51 L CA -0.173 54.644 54.840 -0.039 0.000 0.888 51 L CB 1.071 43.292 42.059 0.271 0.000 1.614 51 L HN -0.350 7.801 8.230 -0.132 0.000 0.671 52 S N -1.522 114.104 115.700 -0.124 0.000 3.257 52 S HA -0.452 4.003 4.470 -0.025 0.000 0.300 52 S C -0.166 174.430 174.600 -0.007 0.000 1.275 52 S CA 0.874 59.010 58.200 -0.108 0.000 1.023 52 S CB -0.571 62.501 63.200 -0.213 0.000 1.180 52 S HN 0.159 8.464 8.310 -0.008 0.000 0.660 53 S N 1.713 117.534 115.700 0.202 0.000 2.714 53 S HA -0.013 4.769 4.470 0.520 0.000 0.318 53 S C -1.776 172.949 174.600 0.208 0.000 1.219 53 S CA -0.788 57.644 58.200 0.386 0.000 1.175 53 S CB 0.509 63.941 63.200 0.387 0.000 0.961 53 S HN -0.004 8.376 8.310 0.251 0.081 0.518 54 P HA 0.304 4.782 4.420 0.098 0.000 0.276 54 P C -1.780 175.585 177.300 0.108 0.000 1.264 54 P CA -1.772 61.392 63.100 0.107 0.000 0.769 54 P CB -0.348 31.399 31.700 0.079 0.000 0.840 55 P HA -0.179 4.447 4.420 0.133 -0.126 0.255 55 P C -1.049 176.304 177.300 0.089 0.000 1.151 55 P CA 0.561 63.728 63.100 0.111 0.000 0.767 55 P CB -0.248 31.512 31.700 0.101 0.000 0.736 56 L N 3.183 124.453 121.223 0.078 0.000 2.260 56 L HA 0.511 5.015 4.340 0.067 -0.123 0.265 56 L C 0.011 176.919 176.870 0.063 0.000 1.015 56 L CA -2.274 52.604 54.840 0.063 0.000 0.826 56 L CB 3.104 45.188 42.059 0.041 0.000 1.373 56 L HN 0.196 8.474 8.230 0.080 0.000 0.450 57 I N -1.557 119.046 120.570 0.054 0.000 2.441 57 I HA 0.436 4.842 4.170 0.072 -0.193 0.295 57 I C 0.050 176.201 176.117 0.056 0.000 0.994 57 I CA -2.003 59.332 61.300 0.058 0.000 1.144 57 I CB 1.180 39.206 38.000 0.043 0.000 1.314 57 I HN 0.286 8.583 8.210 0.047 -0.059 0.445 58 S N 3.924 119.674 115.700 0.084 0.000 2.578 58 S HA 0.157 4.668 4.470 0.068 0.000 0.228 58 S C -0.625 174.087 174.600 0.187 0.000 1.022 58 S CA -0.137 58.121 58.200 0.098 0.000 0.967 58 S CB 1.888 65.135 63.200 0.079 0.000 0.914 58 S HN 0.848 9.086 8.310 0.101 0.132 0.515 59 Y N -0.579 119.730 120.300 0.015 0.000 2.687 59 Y HA 0.088 4.642 4.550 0.007 0.000 0.338 59 Y C -2.775 173.135 175.900 0.017 0.000 1.189 59 Y CA 0.025 58.133 58.100 0.012 0.000 1.097 59 Y CB 2.015 40.482 38.460 0.013 0.000 1.342 59 Y HN -0.751 7.622 8.280 0.155 0.000 0.461 60 I N 1.938 121.926 120.570 -0.971 0.000 2.865 60 I HA 0.302 4.398 4.170 -0.271 -0.089 0.302 60 I C -2.058 173.549 176.117 -0.850 0.000 1.140 60 I CA -1.631 59.299 61.300 -0.616 0.000 1.021 60 I CB 3.583 41.372 38.000 -0.351 0.000 1.233 60 I HN 0.067 7.243 8.210 -1.724 0.000 0.427 61 E N 1.965 122.002 120.200 -0.272 0.000 2.227 61 E HA 0.164 4.485 4.350 -0.049 0.000 0.268 61 E C -0.254 176.292 176.600 -0.089 0.000 0.990 61 E CA -1.917 54.436 56.400 -0.078 0.000 0.856 61 E CB 3.393 33.140 29.700 0.079 0.000 1.159 61 E HN -0.417 7.851 8.360 -0.153 0.000 0.401 62 A N 4.769 127.567 122.820 -0.038 0.000 3.163 62 A HA 0.140 4.416 4.320 -0.074 0.000 0.283 62 A C -1.479 176.087 177.584 -0.030 0.000 1.412 62 A CA 0.174 52.184 52.037 -0.046 0.000 1.053 62 A CB -1.011 17.969 19.000 -0.033 0.000 1.082 62 A HN 0.349 8.508 8.150 0.014 0.000 0.639 63 D N -1.648 118.734 120.400 -0.029 0.000 3.474 63 D HA 0.029 4.649 4.640 -0.034 0.000 0.206 63 D C -2.445 173.839 176.300 -0.028 0.000 1.415 63 D CA 0.567 54.552 54.000 -0.025 0.000 1.335 63 D CB 0.118 40.914 40.800 -0.007 0.000 1.215 63 D HN -0.590 7.657 8.370 -0.035 0.103 0.753 64 S N -1.252 114.418 115.700 -0.049 0.000 2.757 64 S HA 0.396 4.825 4.470 -0.070 0.000 0.285 64 S C -2.059 172.479 174.600 -0.102 0.000 1.196 64 S CA -1.871 56.286 58.200 -0.071 0.000 0.856 64 S CB 0.906 64.072 63.200 -0.057 0.000 1.212 64 S HN -0.495 7.782 8.310 -0.056 0.000 0.516 65 P HA 0.158 4.504 4.420 -0.123 0.000 0.259 65 P C -0.564 176.651 177.300 -0.142 0.000 1.233 65 P CA 1.173 64.172 63.100 -0.168 0.000 0.827 65 P CB 0.463 32.003 31.700 -0.266 0.000 1.154 66 A N 1.567 124.311 122.820 -0.126 0.000 1.843 66 A HA -0.227 4.056 4.320 -0.062 0.000 0.213 66 A C 0.927 178.478 177.584 -0.056 0.000 1.202 66 A CA 2.913 54.909 52.037 -0.069 0.000 0.607 66 A CB -0.559 18.425 19.000 -0.025 0.000 0.847 66 A HN 0.062 8.087 8.150 -0.134 0.044 0.445 67 E N -2.327 117.832 120.200 -0.067 0.000 2.208 67 E HA -0.293 4.016 4.350 -0.067 0.000 0.193 67 E C 1.764 178.324 176.600 -0.067 0.000 0.988 67 E CA 2.164 58.520 56.400 -0.073 0.000 0.828 67 E CB -0.534 29.109 29.700 -0.096 0.000 0.763 67 E HN 0.466 8.783 8.360 -0.072 0.000 0.478 68 R N -1.950 118.509 120.500 -0.068 0.000 2.090 68 R HA -0.176 4.127 4.340 -0.061 0.000 0.228 68 R C 2.170 178.440 176.300 -0.049 0.000 1.110 68 R CA 1.773 57.837 56.100 -0.061 0.000 0.973 68 R CB -0.859 29.403 30.300 -0.063 0.000 0.869 68 R HN -0.179 8.022 8.270 -0.074 0.025 0.440 69 C N -3.876 115.394 119.300 -0.050 0.000 2.398 69 C HA -0.282 4.158 4.460 -0.034 0.000 0.279 69 C C 0.499 175.474 174.990 -0.024 0.000 1.250 69 C CA 3.245 62.242 59.018 -0.035 0.000 1.786 69 C CB -0.202 27.518 27.740 -0.032 0.000 2.018 69 C HN -0.407 7.687 8.230 -0.061 0.100 0.494 70 G N -1.802 106.981 108.800 -0.029 0.000 2.212 70 G HA2 -0.238 3.702 3.960 -0.034 0.000 0.255 70 G HA3 -0.238 3.711 3.960 -0.020 0.000 0.255 70 G C -1.172 173.716 174.900 -0.019 0.000 1.062 70 G CA 0.412 45.497 45.100 -0.026 0.000 0.815 70 G HN -0.636 7.497 8.290 -0.038 0.134 0.497 71 V N -4.286 115.618 119.914 -0.018 0.000 3.426 71 V HA 0.181 4.477 4.120 -0.021 -0.188 0.461 71 V C -1.413 174.676 176.094 -0.009 0.000 1.576 71 V CA -0.273 62.023 62.300 -0.007 0.000 1.732 71 V CB 0.241 32.080 31.823 0.026 0.000 1.199 71 V HN -0.535 7.641 8.190 -0.022 0.000 0.603 72 L N 0.139 121.344 121.223 -0.030 0.000 2.388 72 L HA 0.201 4.536 4.340 -0.008 0.000 0.264 72 L C -1.627 175.212 176.870 -0.052 0.000 0.998 72 L CA -1.079 53.745 54.840 -0.026 0.000 0.817 72 L CB 3.049 45.099 42.059 -0.014 0.000 1.338 72 L HN -0.415 7.790 8.230 -0.040 0.000 0.414 73 Q N 0.252 120.024 119.800 -0.046 0.000 2.377 73 Q HA 0.310 4.611 4.340 -0.066 0.000 0.279 73 Q C -0.646 175.334 176.000 -0.033 0.000 1.049 73 Q CA -1.077 54.692 55.803 -0.058 0.000 0.825 73 Q CB 4.798 33.484 28.738 -0.086 0.000 1.401 73 Q HN -0.010 8.447 8.270 -0.023 -0.201 0.404 74 I N 2.725 123.274 120.570 -0.036 0.000 2.734 74 I HA -0.277 3.891 4.170 -0.004 0.000 0.301 74 I C -0.276 175.842 176.117 0.002 0.000 1.127 74 I CA 0.767 62.059 61.300 -0.014 0.000 2.292 74 I CB -2.104 35.886 38.000 -0.018 0.000 1.590 74 I HN 0.447 8.626 8.210 -0.050 0.000 1.053 75 G N 4.313 113.120 108.800 0.012 0.000 3.669 75 G HA2 -0.058 3.919 3.960 0.028 0.000 0.230 75 G HA3 -0.058 3.911 3.960 0.016 0.000 0.230 75 G C -1.453 173.472 174.900 0.040 0.000 2.671 75 G CA -0.476 44.638 45.100 0.023 0.000 0.975 75 G HN 0.354 8.598 8.290 0.014 0.054 0.448 76 D N -0.274 120.157 120.400 0.052 0.000 2.414 76 D HA 0.089 4.790 4.640 0.103 0.000 0.259 76 D C -0.451 175.905 176.300 0.093 0.000 1.269 76 D CA -0.812 53.239 54.000 0.085 0.000 1.028 76 D CB 1.297 42.149 40.800 0.086 0.000 1.093 76 D HN -0.606 7.849 8.370 0.046 -0.057 0.545 77 R N -2.162 118.404 120.500 0.110 0.000 2.754 77 R HA 0.224 4.769 4.340 0.082 -0.156 0.255 77 R C -0.503 175.844 176.300 0.079 0.000 1.723 77 R CA -0.602 55.552 56.100 0.090 0.000 1.596 77 R CB 0.188 30.538 30.300 0.085 0.000 1.424 77 R HN 0.176 8.528 8.270 0.136 0.000 0.662 78 V N 3.047 123.008 119.914 0.078 0.000 2.585 78 V HA -0.228 4.115 4.120 0.065 -0.184 0.296 78 V C -0.398 175.728 176.094 0.053 0.000 1.035 78 V CA 1.681 64.021 62.300 0.067 0.000 1.084 78 V CB -0.012 31.852 31.823 0.069 0.000 0.953 78 V HN 0.254 8.493 8.190 0.083 0.000 0.483 79 M N 7.248 126.871 119.600 0.038 0.000 2.571 79 M HA 0.234 4.733 4.480 0.032 0.000 0.259 79 M C -1.650 174.665 176.300 0.025 0.000 1.205 79 M CA 0.756 56.072 55.300 0.027 0.000 1.138 79 M CB 2.615 35.221 32.600 0.011 0.000 1.329 79 M HN 0.128 8.439 8.290 0.035 0.000 0.503 80 A N -2.246 120.589 122.820 0.026 0.000 2.429 80 A HA 0.567 5.129 4.320 0.021 -0.229 0.289 80 A C -2.400 175.200 177.584 0.027 0.000 1.043 80 A CA -0.888 51.162 52.037 0.022 0.000 0.722 80 A CB 2.393 21.402 19.000 0.015 0.000 1.243 80 A HN -0.622 7.545 8.150 0.029 0.000 0.415 81 I N 3.886 124.471 120.570 0.025 0.000 2.337 81 I HA 0.250 4.560 4.170 0.035 -0.119 0.285 81 I C 0.167 176.294 176.117 0.018 0.000 1.041 81 I CA -1.031 60.285 61.300 0.026 0.000 1.199 81 I CB 0.216 38.229 38.000 0.022 0.000 1.370 81 I HN 0.711 8.830 8.210 0.022 0.104 0.470 82 N N 7.526 126.240 118.700 0.023 0.000 2.708 82 N HA -0.416 4.338 4.740 0.024 0.000 0.251 82 N C -0.343 175.174 175.510 0.013 0.000 1.123 82 N CA 1.465 54.526 53.050 0.019 0.000 0.739 82 N CB -0.819 37.676 38.487 0.014 0.000 1.113 82 N HN 0.951 9.349 8.380 0.030 0.000 0.561 83 G N -5.357 103.450 108.800 0.012 0.000 2.352 83 G HA2 -0.402 3.563 3.960 0.009 0.000 0.204 83 G HA3 -0.402 3.562 3.960 0.007 0.000 0.204 83 G C -0.288 174.616 174.900 0.007 0.000 1.004 83 G CA -0.161 44.944 45.100 0.008 0.000 0.648 83 G HN 0.059 8.309 8.290 0.016 0.050 0.491 84 I N 4.940 125.513 120.570 0.006 0.000 2.494 84 I HA 0.178 4.349 4.170 0.002 0.000 0.289 84 I C -1.240 174.883 176.117 0.010 0.000 1.106 84 I CA -3.321 57.982 61.300 0.005 0.000 1.369 84 I CB -1.107 36.894 38.000 0.001 0.000 1.410 84 I HN -0.186 7.866 8.210 0.007 0.162 0.523 85 P HA 0.714 5.330 4.420 0.014 -0.188 0.274 85 P C -0.363 176.948 177.300 0.019 0.000 1.256 85 P CA -0.452 62.655 63.100 0.012 0.000 0.795 85 P CB 1.504 33.208 31.700 0.006 0.000 1.038 86 T N -6.995 107.573 114.554 0.024 0.000 3.328 86 T HA 0.161 4.535 4.350 0.040 0.000 0.305 86 T C 0.088 174.807 174.700 0.032 0.000 0.939 86 T CA -0.108 62.015 62.100 0.039 0.000 0.950 86 T CB 0.886 69.790 68.868 0.059 0.000 1.182 86 T HN -0.063 8.188 8.240 0.020 0.000 0.545 87 E N 1.515 121.723 120.200 0.013 0.000 2.385 87 E HA -0.124 4.224 4.350 -0.004 0.000 0.194 87 E C -1.117 175.475 176.600 -0.012 0.000 1.013 87 E CA 1.486 57.884 56.400 -0.003 0.000 0.866 87 E CB 0.087 29.782 29.700 -0.009 0.000 0.832 87 E HN 0.077 8.444 8.360 0.011 0.000 0.500 88 D N -2.387 118.011 120.400 -0.003 0.000 2.952 88 D HA 0.199 4.830 4.640 -0.015 0.000 0.373 88 D C -1.678 174.625 176.300 0.004 0.000 1.360 88 D CA 0.094 54.090 54.000 -0.006 0.000 0.788 88 D CB -0.413 40.382 40.800 -0.009 0.000 1.192 88 D HN -0.139 8.193 8.370 0.005 0.040 0.462 89 S N -0.696 115.015 115.700 0.018 0.000 2.643 89 S HA 0.205 4.685 4.470 0.017 0.000 0.270 89 S C -1.123 173.512 174.600 0.057 0.000 1.166 89 S CA -0.871 57.344 58.200 0.025 0.000 0.815 89 S CB 2.352 65.561 63.200 0.016 0.000 1.139 89 S HN -0.524 7.800 8.310 0.023 0.000 0.472 90 T N 1.674 116.255 114.554 0.044 0.000 2.899 90 T HA 0.228 4.678 4.350 0.167 0.000 0.295 90 T C 1.148 175.890 174.700 0.069 0.000 1.033 90 T CA -0.184 61.959 62.100 0.071 0.000 1.084 90 T CB 0.458 69.310 68.868 -0.026 0.000 0.979 90 T HN 0.051 8.299 8.240 0.013 0.000 0.532 91 F N 2.506 122.492 119.950 0.059 0.000 2.259 91 F HA -0.131 4.427 4.527 0.052 0.000 0.298 91 F C 0.984 176.804 175.800 0.033 0.000 1.088 91 F CA 2.020 60.053 58.000 0.054 0.000 1.358 91 F CB -0.806 38.237 39.000 0.072 0.000 1.040 91 F HN 0.149 8.772 8.300 0.539 0.000 0.505 92 E N -0.370 119.184 120.200 -1.077 0.000 2.130 92 E HA -0.478 3.371 4.350 -0.834 0.000 0.196 92 E C 1.892 178.310 176.600 -0.305 0.000 0.998 92 E CA 2.867 58.797 56.400 -0.783 0.000 0.806 92 E CB -1.198 28.095 29.700 -0.678 0.000 0.738 92 E HN 0.484 8.058 8.360 -1.272 0.023 0.459 93 E N -1.124 118.955 120.200 -0.202 0.000 2.110 93 E HA -0.307 3.980 4.350 -0.104 0.000 0.193 93 E C 1.755 178.318 176.600 -0.063 0.000 0.988 93 E CA 2.528 58.867 56.400 -0.103 0.000 0.804 93 E CB -1.091 28.570 29.700 -0.065 0.000 0.745 93 E HN -0.409 7.811 8.360 -0.217 0.010 0.458 94 A N -1.207 121.593 122.820 -0.033 0.000 1.969 94 A HA -0.362 3.959 4.320 0.003 0.000 0.218 94 A C 1.766 179.351 177.584 0.002 0.000 1.169 94 A CA 3.056 55.098 52.037 0.010 0.000 0.635 94 A CB -0.641 18.400 19.000 0.067 0.000 0.810 94 A HN -0.423 7.589 8.150 -0.036 0.116 0.445 95 N N -1.834 116.858 118.700 -0.012 0.000 2.188 95 N HA -0.304 4.453 4.740 0.029 0.000 0.184 95 N C 2.302 177.790 175.510 -0.037 0.000 1.018 95 N CA 3.406 56.452 53.050 -0.006 0.000 0.858 95 N CB 0.210 38.689 38.487 -0.014 0.000 0.989 95 N HN -0.402 7.826 8.380 -0.047 0.124 0.426 96 Q N -0.618 119.146 119.800 -0.060 0.000 1.994 96 Q HA -0.228 4.077 4.340 -0.058 0.000 0.198 96 Q C 2.569 178.529 176.000 -0.066 0.000 0.976 96 Q CA 2.564 58.330 55.803 -0.062 0.000 0.828 96 Q CB -0.511 28.188 28.738 -0.066 0.000 0.894 96 Q HN -0.370 7.746 8.270 -0.074 0.110 0.432 97 L N -2.756 118.431 121.223 -0.060 0.000 2.043 97 L HA -0.306 3.993 4.340 -0.070 0.000 0.212 97 L C 2.767 179.575 176.870 -0.104 0.000 1.075 97 L CA 3.199 57.998 54.840 -0.068 0.000 0.752 97 L CB -1.241 40.790 42.059 -0.046 0.000 0.891 97 L HN -0.450 7.748 8.230 -0.053 0.000 0.432 98 L N -1.246 119.923 121.223 -0.091 0.000 1.988 98 L HA -0.399 3.834 4.340 -0.178 0.000 0.207 98 L C 2.336 179.087 176.870 -0.197 0.000 1.071 98 L CA 3.241 58.002 54.840 -0.133 0.000 0.744 98 L CB -0.506 41.525 42.059 -0.046 0.000 0.893 98 L HN -0.200 7.987 8.230 -0.058 0.008 0.433 99 R N -2.170 118.262 120.500 -0.113 0.000 2.170 99 R HA -0.307 3.981 4.340 -0.088 0.000 0.242 99 R C 1.156 177.371 176.300 -0.142 0.000 1.145 99 R CA 2.652 58.692 56.100 -0.100 0.000 0.984 99 R CB -0.423 29.847 30.300 -0.051 0.000 0.869 99 R HN -0.261 7.965 8.270 -0.074 0.000 0.455 100 D N -2.357 117.951 120.400 -0.153 0.000 2.788 100 D HA 0.269 4.825 4.640 -0.140 0.000 0.289 100 D C -1.103 175.081 176.300 -0.193 0.000 1.340 100 D CA -0.327 53.586 54.000 -0.145 0.000 0.831 100 D CB 0.671 41.418 40.800 -0.087 0.000 1.103 100 D HN -0.157 7.994 8.370 -0.138 0.136 0.476 101 S N -0.656 114.836 115.700 -0.346 0.000 2.526 101 S HA 0.136 4.451 4.470 -0.206 0.032 0.247 101 S C -1.062 173.235 174.600 -0.505 0.000 1.076 101 S CA -0.161 57.815 58.200 -0.374 0.000 1.105 101 S CB 0.254 63.225 63.200 -0.381 0.000 0.793 101 S HN -0.156 7.742 8.310 -0.438 0.149 0.458 102 S N -1.214 114.294 115.700 -0.320 0.000 2.749 102 S HA 0.211 4.767 4.470 0.144 0.000 0.246 102 S C -0.102 174.529 174.600 0.051 0.000 1.023 102 S CA -0.028 58.150 58.200 -0.036 0.000 1.012 102 S CB 0.308 63.569 63.200 0.101 0.000 0.942 102 S HN -0.103 7.975 8.310 -0.245 0.085 0.531 103 I N 0.896 121.466 120.570 -0.001 0.000 2.233 103 I HA -0.348 3.833 4.170 0.019 0.000 0.243 103 I C 1.441 177.580 176.117 0.037 0.000 1.093 103 I CA 2.783 64.092 61.300 0.014 0.000 1.380 103 I CB -0.024 37.972 38.000 -0.006 0.000 1.067 103 I HN -0.208 7.914 8.210 -0.046 0.060 0.413 104 T N -3.922 110.658 114.554 0.043 0.000 3.129 104 T HA -0.011 4.363 4.350 0.040 0.000 0.251 104 T C 0.459 175.207 174.700 0.080 0.000 1.117 104 T CA 0.575 62.706 62.100 0.052 0.000 1.034 104 T CB 0.418 69.311 68.868 0.043 0.000 0.968 104 T HN -0.270 7.990 8.240 0.032 0.000 0.526 105 S N -1.142 114.632 115.700 0.122 0.000 3.380 105 S HA -0.442 4.157 4.470 0.215 0.000 0.300 105 S C -1.778 172.923 174.600 0.168 0.000 1.255 105 S CA 1.704 59.996 58.200 0.153 0.000 0.963 105 S CB -0.409 62.841 63.200 0.083 0.000 1.106 105 S HN 0.101 8.272 8.310 0.121 0.212 0.629 106 K N -2.800 117.722 120.400 0.204 0.000 2.639 106 K HA 0.529 5.199 4.320 0.220 -0.217 0.279 106 K C -2.479 174.227 176.600 0.176 0.000 0.976 106 K CA -0.415 55.983 56.287 0.184 0.000 0.861 106 K CB 4.331 36.887 32.500 0.094 0.000 1.436 106 K HN -0.815 7.495 8.250 0.189 0.053 0.400 107 V N 0.364 120.391 119.914 0.188 0.000 2.851 107 V HA 0.441 4.775 4.120 0.091 -0.159 0.307 107 V C -1.899 174.259 176.094 0.107 0.000 1.129 107 V CA -1.629 60.751 62.300 0.134 0.000 0.932 107 V CB 4.596 36.505 31.823 0.144 0.000 1.024 107 V HN 0.925 9.139 8.190 0.199 0.096 0.426 108 T N 6.272 120.870 114.554 0.074 0.000 2.779 108 T HA 0.858 5.478 4.350 0.069 -0.228 0.280 108 T C -0.479 174.255 174.700 0.057 0.000 0.987 108 T CA -1.539 60.599 62.100 0.062 0.000 0.966 108 T CB 0.744 69.641 68.868 0.048 0.000 0.933 108 T HN 0.826 9.505 8.240 0.061 -0.402 0.442 109 L N 3.251 124.512 121.223 0.063 0.000 2.303 109 L HA 0.980 5.570 4.340 0.050 -0.221 0.266 109 L C -0.330 176.572 176.870 0.054 0.000 1.011 109 L CA -2.222 52.654 54.840 0.059 0.000 0.818 109 L CB 3.572 45.675 42.059 0.072 0.000 1.326 109 L HN 0.559 8.717 8.230 0.069 0.114 0.435 110 E N -0.241 119.987 120.200 0.045 0.000 2.235 110 E HA 0.593 5.114 4.350 0.033 -0.151 0.252 110 E C -0.908 175.711 176.600 0.031 0.000 0.886 110 E CA -0.982 55.436 56.400 0.030 0.000 0.767 110 E CB 1.254 30.960 29.700 0.011 0.000 1.205 110 E HN 0.104 8.491 8.360 0.045 0.000 0.421 111 I N -0.906 119.692 120.570 0.047 0.000 2.577 111 I HA 0.693 5.135 4.170 0.063 -0.234 0.305 111 I C -1.726 174.351 176.117 -0.067 0.000 0.986 111 I CA -2.623 58.718 61.300 0.069 0.000 1.189 111 I CB 3.167 41.293 38.000 0.211 0.000 1.355 111 I HN 1.036 9.191 8.210 0.062 0.091 0.476 112 E N 4.638 124.801 120.200 -0.062 0.000 2.182 112 E HA 0.473 4.690 4.350 -0.440 -0.132 0.258 112 E C -1.502 175.037 176.600 -0.101 0.000 0.879 112 E CA -1.537 54.735 56.400 -0.212 0.000 0.754 112 E CB 2.514 32.141 29.700 -0.121 0.000 1.162 112 E HN -0.033 8.346 8.360 0.031 0.000 0.419 113 F N 3.158 123.106 119.950 -0.004 0.000 2.675 113 F HA 0.515 5.039 4.527 -0.004 0.000 0.324 113 F C -2.093 173.701 175.800 -0.010 0.000 1.106 113 F CA -2.414 55.584 58.000 -0.004 0.000 0.970 113 F CB 2.035 41.037 39.000 0.004 0.000 1.385 113 F HN 0.194 7.821 8.300 -1.123 0.000 0.489 114 D N -1.556 119.033 120.400 0.316 0.000 2.294 114 D HA 0.051 4.755 4.640 0.106 0.000 0.250 114 D C -0.662 175.800 176.300 0.271 0.000 1.058 114 D CA -0.119 53.997 54.000 0.193 0.000 0.950 114 D CB 1.279 42.145 40.800 0.110 0.000 1.158 114 D HN 0.078 8.638 8.370 0.316 0.000 0.453 115 V N 2.815 122.840 119.914 0.184 0.000 2.339 115 V HA 0.036 4.284 4.120 0.213 0.000 0.261 115 V C -1.758 174.412 176.094 0.126 0.000 1.058 115 V CA -0.361 62.039 62.300 0.167 0.000 0.897 115 V CB -0.501 31.394 31.823 0.121 0.000 1.052 115 V HN -0.205 8.069 8.190 0.141 0.000 0.480 116 A N 6.373 129.256 122.820 0.105 0.000 2.565 116 A HA 0.299 4.679 4.320 0.101 0.000 0.298 116 A C -1.890 175.729 177.584 0.058 0.000 1.062 116 A CA 0.361 52.449 52.037 0.085 0.000 0.723 116 A CB 2.224 21.269 19.000 0.075 0.000 1.282 116 A HN -0.401 7.809 8.150 0.101 0.000 0.400 117 E N 1.433 121.673 120.200 0.065 0.000 3.085 117 E HA 0.173 4.537 4.350 0.023 0.000 0.179 117 E C -0.956 175.676 176.600 0.053 0.000 0.951 117 E CA -0.154 56.273 56.400 0.045 0.000 1.326 117 E CB 1.622 31.349 29.700 0.046 0.000 1.043 117 E HN 0.409 8.821 8.360 0.087 0.000 0.457 118 S N -2.727 113.007 115.700 0.057 0.000 4.012 118 S HA -0.270 4.224 4.470 0.040 0.000 0.494 118 S C -1.395 173.249 174.600 0.073 0.000 0.810 118 S CA 0.482 58.712 58.200 0.050 0.000 1.309 118 S CB -0.327 62.893 63.200 0.033 0.000 0.822 118 S HN -0.050 8.296 8.310 0.060 0.000 0.644 119 V N -2.793 117.181 119.914 0.101 0.000 2.617 119 V HA 0.227 4.450 4.120 0.172 0.000 0.298 119 V C -0.891 175.217 176.094 0.024 0.000 1.048 119 V CA -1.642 60.749 62.300 0.152 0.000 0.964 119 V CB 1.667 33.693 31.823 0.338 0.000 1.004 119 V HN -0.593 7.655 8.190 0.097 0.000 0.466 120 I N -0.733 119.817 120.570 -0.033 0.000 2.563 120 I HA 0.622 4.685 4.170 -0.177 0.000 0.276 120 I C -2.291 173.620 176.117 -0.343 0.000 1.074 120 I CA -3.161 58.035 61.300 -0.173 0.000 1.124 120 I CB 1.142 39.054 38.000 -0.147 0.000 1.225 120 I HN 0.142 8.397 8.210 0.074 0.000 0.482 121 P HA 0.528 4.619 4.420 -0.746 -0.118 0.304 121 P C -0.375 176.709 177.300 -0.359 0.000 1.310 121 P CA -1.662 60.949 63.100 -0.816 0.000 0.796 121 P CB 1.853 32.635 31.700 -1.531 0.000 1.297 122 S N -2.481 113.082 115.700 -0.228 0.000 3.750 122 S HA 0.010 4.415 4.470 -0.109 0.000 0.117 122 S C -1.491 173.089 174.600 -0.033 0.000 0.847 122 S CA 0.344 58.480 58.200 -0.107 0.000 0.850 122 S CB -0.073 63.073 63.200 -0.090 0.000 1.149 122 S HN -0.091 8.082 8.310 -0.228 0.000 0.694 123 S N -1.704 113.992 115.700 -0.006 0.000 3.162 123 S HA -0.307 4.208 4.470 0.076 0.000 0.840 123 S C 0.815 175.450 174.600 0.058 0.000 0.985 123 S CA 0.783 59.009 58.200 0.044 0.000 1.295 123 S CB -0.501 62.715 63.200 0.026 0.000 1.006 123 S HN -0.031 8.259 8.310 -0.033 0.000 0.370 124 G N 3.693 112.545 108.800 0.086 0.000 2.900 124 G HA2 -0.467 3.654 3.960 0.071 0.000 0.223 124 G HA3 -0.467 3.529 3.960 0.060 0.000 0.223 124 G C -1.443 173.519 174.900 0.103 0.000 1.293 124 G CA 1.048 46.194 45.100 0.078 0.000 0.792 124 G HN 0.395 8.658 8.290 0.106 0.091 0.527 125 T N 4.404 119.031 114.554 0.121 0.000 2.842 125 T HA 0.582 5.158 4.350 0.141 -0.142 0.308 125 T C -1.957 172.905 174.700 0.269 0.000 1.041 125 T CA -1.041 61.167 62.100 0.180 0.000 0.964 125 T CB 0.181 69.178 68.868 0.215 0.000 0.972 125 T HN -0.580 7.623 8.240 0.094 0.093 0.460 126 F N 8.430 128.459 119.950 0.131 0.000 2.426 126 F HA 0.166 4.820 4.527 0.211 0.000 0.348 126 F C -2.847 173.046 175.800 0.156 0.000 1.124 126 F CA -2.006 56.092 58.000 0.164 0.000 1.008 126 F CB 2.986 42.028 39.000 0.071 0.000 1.139 126 F HN 0.967 9.327 8.300 0.280 0.108 0.452 127 H N 6.623 125.874 119.070 0.301 0.000 2.533 127 H HA 0.791 5.714 4.556 0.210 -0.241 0.343 127 H C -0.101 175.406 175.328 0.300 0.000 1.160 127 H CA -2.292 53.894 56.048 0.230 0.000 1.218 127 H CB 2.971 32.784 29.762 0.086 0.000 1.566 127 H HN -0.015 8.511 8.280 0.410 0.000 0.522 128 V N -2.914 117.181 119.914 0.303 0.000 2.385 128 V HA 0.331 4.611 4.120 0.266 0.000 0.277 128 V C -1.276 174.904 176.094 0.142 0.000 1.012 128 V CA -0.741 61.691 62.300 0.221 0.000 0.832 128 V CB 1.182 33.093 31.823 0.147 0.000 1.028 128 V HN 0.211 8.538 8.190 0.228 0.000 0.436 129 K N 8.323 128.799 120.400 0.127 0.000 2.273 129 K HA 0.077 4.446 4.320 0.081 0.000 0.287 129 K C -0.443 176.195 176.600 0.062 0.000 1.089 129 K CA -0.562 55.776 56.287 0.084 0.000 0.909 129 K CB -0.416 32.125 32.500 0.067 0.000 1.123 129 K HN -0.345 7.989 8.250 0.140 0.000 0.473 130 L N 0.453 121.706 121.223 0.050 0.000 2.385 130 L HA 0.745 5.104 4.340 0.032 0.000 0.273 130 L C -2.874 174.011 176.870 0.024 0.000 0.990 130 L CA -3.667 51.194 54.840 0.035 0.000 0.821 130 L CB 1.393 43.472 42.059 0.034 0.000 1.279 130 L HN 0.051 8.312 8.230 0.051 0.000 0.412 131 P HA 0.091 4.638 4.420 0.016 -0.118 0.271 131 P C -1.312 175.995 177.300 0.011 0.000 1.216 131 P CA -0.747 62.360 63.100 0.012 0.000 0.771 131 P CB 0.550 32.252 31.700 0.003 0.000 0.864 132 K N 2.408 122.819 120.400 0.018 0.000 2.281 132 K HA 0.277 4.606 4.320 0.016 0.000 0.242 132 K C -0.556 176.065 176.600 0.036 0.000 0.971 132 K CA -1.682 54.619 56.287 0.022 0.000 0.834 132 K CB 3.599 36.112 32.500 0.022 0.000 1.181 132 K HN -0.518 7.668 8.250 0.021 0.077 0.435 133 K N 0.183 120.610 120.400 0.045 0.000 2.296 133 K HA 0.191 4.570 4.320 0.098 0.000 0.243 133 K C 0.737 177.431 176.600 0.157 0.000 1.082 133 K CA -1.069 55.268 56.287 0.083 0.000 0.929 133 K CB 1.035 33.550 32.500 0.026 0.000 1.353 133 K HN 0.186 8.457 8.250 0.035 0.000 0.536 134 H N -1.187 117.876 119.070 -0.012 0.000 2.267 134 H HA -0.256 4.295 4.556 -0.008 0.000 0.297 134 H C 0.814 176.136 175.328 -0.010 0.000 1.080 134 H CA 2.759 58.801 56.048 -0.010 0.000 1.278 134 H CB 0.410 30.166 29.762 -0.011 0.000 1.365 134 H HN 0.114 8.525 8.280 0.220 0.000 0.489 135 S N -3.375 112.403 115.700 0.131 0.000 2.589 135 S HA 0.111 4.607 4.470 0.044 0.000 0.210 135 S C -1.359 173.261 174.600 0.033 0.000 0.803 135 S CA -0.331 57.905 58.200 0.060 0.000 1.061 135 S CB 0.820 64.050 63.200 0.050 0.000 1.637 135 S HN -0.425 7.966 8.310 0.135 0.000 0.462 136 V N 1.858 121.787 119.914 0.025 0.000 3.003 136 V HA -0.075 4.044 4.120 -0.002 0.000 0.305 136 V C 0.002 176.098 176.094 0.003 0.000 1.078 136 V CA -0.910 61.393 62.300 0.004 0.000 1.083 136 V CB 0.869 32.688 31.823 -0.007 0.000 1.039 136 V HN -0.534 7.677 8.190 0.035 0.000 0.481 137 E N 2.908 123.107 120.200 -0.002 0.000 2.752 137 E HA -0.275 4.076 4.350 0.001 0.000 0.241 137 E C -1.421 175.181 176.600 0.003 0.000 1.016 137 E CA 0.928 57.328 56.400 0.001 0.000 0.952 137 E CB 0.159 29.859 29.700 0.001 0.000 0.921 137 E HN 0.255 8.611 8.360 -0.007 0.000 0.515 138 L N 7.003 128.228 121.223 0.003 0.000 2.316 138 L HA 0.195 4.538 4.340 0.004 0.000 0.280 138 L C 0.942 177.811 176.870 -0.001 0.000 1.006 138 L CA -0.732 54.109 54.840 0.002 0.000 0.836 138 L CB 1.531 43.591 42.059 0.001 0.000 1.221 138 L HN 0.015 8.246 8.230 0.002 0.000 0.418 139 G N 5.961 114.761 108.800 0.001 0.000 3.709 139 G HA2 0.201 4.155 3.960 -0.010 0.000 0.272 139 G HA3 0.201 4.161 3.960 -0.000 0.000 0.272 139 G C -1.684 173.196 174.900 -0.033 0.000 1.259 139 G CA -0.283 44.812 45.100 -0.009 0.000 1.512 139 G HN 0.594 8.889 8.290 0.008 0.000 0.625 140 I N 0.643 121.196 120.570 -0.029 0.000 2.404 140 I HA 0.350 4.485 4.170 -0.058 0.000 0.293 140 I C -0.746 175.349 176.117 -0.037 0.000 0.992 140 I CA -0.563 60.713 61.300 -0.039 0.000 1.149 140 I CB 2.122 40.106 38.000 -0.026 0.000 1.315 140 I HN -0.801 7.304 8.210 -0.018 0.094 0.446 141 T N 8.426 122.951 114.554 -0.048 0.000 2.848 141 T HA 0.366 4.697 4.350 -0.031 0.000 0.285 141 T C -0.946 173.730 174.700 -0.039 0.000 0.995 141 T CA -0.569 61.508 62.100 -0.040 0.000 0.970 141 T CB 2.350 71.193 68.868 -0.042 0.000 0.976 141 T HN 0.131 8.334 8.240 -0.062 0.000 0.441 142 I N 5.107 125.658 120.570 -0.031 0.000 2.822 142 I HA 0.777 5.097 4.170 -0.034 -0.170 0.312 142 I C -0.846 175.255 176.117 -0.026 0.000 1.011 142 I CA -1.389 59.894 61.300 -0.029 0.000 1.105 142 I CB 2.875 40.860 38.000 -0.024 0.000 1.291 142 I HN 0.390 8.584 8.210 -0.027 0.000 0.474 143 S N 1.684 117.368 115.700 -0.026 0.000 2.590 143 S HA 0.257 4.715 4.470 -0.020 0.000 0.286 143 S C -0.850 173.737 174.600 -0.020 0.000 1.147 143 S CA -0.418 57.769 58.200 -0.022 0.000 0.963 143 S CB 2.558 65.743 63.200 -0.024 0.000 1.124 143 S HN 0.614 8.908 8.310 -0.027 0.000 0.458 144 S N 5.305 120.995 115.700 -0.017 0.000 2.448 144 S HA 0.433 4.995 4.470 -0.017 -0.102 0.279 144 S C -0.726 173.866 174.600 -0.014 0.000 1.195 144 S CA -1.605 56.586 58.200 -0.015 0.000 1.051 144 S CB 0.234 63.427 63.200 -0.013 0.000 0.948 144 S HN 0.034 8.334 8.310 -0.016 0.000 0.493 145 P HA 0.034 4.446 4.420 -0.013 0.000 0.285 145 P C -1.291 176.003 177.300 -0.010 0.000 1.282 145 P CA -0.513 62.579 63.100 -0.013 0.000 0.778 145 P CB 0.337 32.030 31.700 -0.013 0.000 1.222 146 S N -1.660 114.034 115.700 -0.009 0.000 2.580 146 S HA -0.165 4.300 4.470 -0.008 0.000 0.261 146 S C -0.162 174.434 174.600 -0.007 0.000 1.366 146 S CA 0.933 59.129 58.200 -0.008 0.000 0.996 146 S CB 0.546 63.742 63.200 -0.007 0.000 0.902 146 S HN -0.157 8.147 8.310 -0.009 0.000 0.566 147 S N -0.379 115.318 115.700 -0.006 0.000 2.891 147 S HA 0.225 4.692 4.470 -0.006 0.000 0.186 147 S C -0.603 173.995 174.600 -0.004 0.000 1.401 147 S CA -0.443 57.754 58.200 -0.005 0.000 1.035 147 S CB -0.282 62.914 63.200 -0.005 0.000 1.293 147 S HN 0.357 8.664 8.310 -0.006 0.000 0.493 148 R N 2.393 122.890 120.500 -0.004 0.000 2.997 148 R HA 0.184 4.522 4.340 -0.003 0.000 0.358 148 R C -1.568 174.730 176.300 -0.003 0.000 1.191 148 R CA 0.051 56.149 56.100 -0.003 0.000 1.113 148 R CB 0.481 30.779 30.300 -0.003 0.000 1.433 148 R HN 0.220 8.487 8.270 -0.005 0.000 0.584 149 K N -1.276 119.123 120.400 -0.003 0.000 2.675 149 K HA 0.184 4.503 4.320 -0.002 0.000 0.280 149 K C -2.749 173.850 176.600 -0.002 0.000 0.993 149 K CA -1.750 54.535 56.287 -0.002 0.000 0.863 149 K CB 0.363 32.862 32.500 -0.002 0.000 1.438 149 K HN -0.292 7.894 8.250 -0.003 0.062 0.389 150 P HA 0.095 4.514 4.420 -0.002 0.000 0.249 150 P C -1.036 176.263 177.300 -0.002 0.000 1.737 150 P CA 0.145 63.244 63.100 -0.002 0.000 1.128 150 P CB -1.488 30.212 31.700 -0.001 0.000 1.942 151 G N 2.068 110.866 108.800 -0.003 0.000 4.309 151 G HA2 -0.144 3.899 3.960 -0.003 0.000 0.201 151 G HA3 -0.144 3.814 3.960 -0.004 0.000 0.201 151 G C -2.173 172.723 174.900 -0.005 0.000 1.024 151 G CA 1.020 46.118 45.100 -0.004 0.000 1.007 151 G HN -0.129 8.122 8.290 -0.003 0.038 0.348 152 D N 1.680 122.076 120.400 -0.006 0.000 3.187 152 D HA -0.233 4.402 4.640 -0.007 0.000 0.244 152 D C -2.585 173.710 176.300 -0.009 0.000 1.114 152 D CA 0.047 54.043 54.000 -0.007 0.000 0.920 152 D CB -0.202 40.594 40.800 -0.007 0.000 0.970 152 D HN -0.109 8.258 8.370 -0.005 0.000 0.418 153 P HA 0.255 4.794 4.420 -0.012 -0.127 0.323 153 P C -1.244 176.047 177.300 -0.015 0.000 1.309 153 P CA -0.715 62.377 63.100 -0.013 0.000 0.739 153 P CB 1.403 33.095 31.700 -0.013 0.000 1.454 154 L N -8.586 112.626 121.223 -0.018 0.000 2.277 154 L HA 0.587 4.915 4.340 -0.019 0.000 0.254 154 L C -1.549 175.306 176.870 -0.025 0.000 1.044 154 L CA -1.085 53.743 54.840 -0.021 0.000 0.842 154 L CB 3.070 45.117 42.059 -0.021 0.000 1.422 154 L HN -0.427 7.791 8.230 -0.020 0.000 0.422 155 V N -8.936 110.961 119.914 -0.028 0.000 3.156 155 V HA 0.588 4.811 4.120 -0.038 -0.125 0.306 155 V C -1.464 174.606 176.094 -0.039 0.000 1.468 155 V CA -2.561 59.718 62.300 -0.035 0.000 1.047 155 V CB 3.425 35.228 31.823 -0.033 0.000 1.078 155 V HN 0.193 8.270 8.190 -0.026 0.098 0.468 156 I N -2.766 117.775 120.570 -0.048 0.000 2.720 156 I HA 0.407 4.697 4.170 -0.052 -0.152 0.287 156 I C 0.042 176.129 176.117 -0.050 0.000 1.090 156 I CA -0.865 60.402 61.300 -0.055 0.000 1.384 156 I CB -0.681 37.276 38.000 -0.071 0.000 1.420 156 I HN 0.218 8.398 8.210 -0.051 0.000 0.575 157 S N 0.580 116.248 115.700 -0.052 0.000 2.744 157 S HA 0.115 4.560 4.470 -0.041 0.000 0.265 157 S C -1.440 173.129 174.600 -0.053 0.000 1.065 157 S CA -0.549 57.624 58.200 -0.045 0.000 1.191 157 S CB 1.941 65.120 63.200 -0.035 0.000 1.150 157 S HN 0.744 8.938 8.310 -0.058 0.081 0.646 158 D N -0.622 119.735 120.400 -0.072 0.000 2.898 158 D HA 0.085 4.671 4.640 -0.090 0.000 0.254 158 D C -2.870 173.355 176.300 -0.125 0.000 1.107 158 D CA 0.392 54.340 54.000 -0.085 0.000 0.729 158 D CB 2.788 43.555 40.800 -0.056 0.000 1.734 158 D HN -0.746 7.577 8.370 -0.078 0.000 0.452 159 I N -1.527 118.933 120.570 -0.184 0.000 2.828 159 I HA 0.842 5.177 4.170 -0.186 -0.276 0.302 159 I C -0.911 175.112 176.117 -0.156 0.000 1.101 159 I CA -2.047 59.092 61.300 -0.268 0.000 1.031 159 I CB 4.579 42.161 38.000 -0.697 0.000 1.231 159 I HN -0.077 8.034 8.210 -0.166 0.000 0.427 160 K N 4.328 124.689 120.400 -0.065 0.000 2.345 160 K HA 0.232 4.574 4.320 0.037 0.000 0.255 160 K C -0.437 176.238 176.600 0.124 0.000 0.934 160 K CA -1.129 55.177 56.287 0.031 0.000 0.801 160 K CB 2.232 34.745 32.500 0.021 0.000 1.137 160 K HN 0.165 8.374 8.250 -0.069 0.000 0.424 161 K N 6.804 127.306 120.400 0.170 0.000 2.127 161 K HA -0.027 4.468 4.320 0.293 0.000 0.261 161 K C -0.642 176.064 176.600 0.177 0.000 1.129 161 K CA -0.178 56.241 56.287 0.220 0.000 0.993 161 K CB -1.859 30.751 32.500 0.184 0.000 1.410 161 K HN 0.650 8.982 8.250 0.137 0.000 0.380 162 G N 0.520 109.415 108.800 0.158 0.000 4.242 162 G HA2 -0.016 4.020 3.960 0.126 0.000 0.159 162 G HA3 -0.016 3.992 3.960 0.080 0.000 0.159 162 G C -1.334 173.595 174.900 0.049 0.000 0.921 162 G CA 0.753 45.915 45.100 0.103 0.000 0.910 162 G HN -0.128 8.262 8.290 0.167 0.000 0.419 163 S N 0.419 116.149 115.700 0.051 0.000 2.722 163 S HA 0.546 5.013 4.470 -0.004 0.000 0.292 163 S C 1.475 176.087 174.600 0.021 0.000 1.135 163 S CA -1.814 56.398 58.200 0.019 0.000 1.003 163 S CB 2.660 65.871 63.200 0.018 0.000 1.067 163 S HN -1.050 7.305 8.310 0.076 0.000 0.546 164 V N -0.808 119.106 119.914 -0.001 0.000 2.688 164 V HA -0.391 3.715 4.120 -0.023 0.000 0.256 164 V C 0.985 177.104 176.094 0.043 0.000 1.084 164 V CA 2.964 65.265 62.300 0.002 0.000 1.103 164 V CB -0.363 31.457 31.823 -0.004 0.000 0.688 164 V HN 0.652 8.837 8.190 -0.008 0.000 0.480 165 A N 0.781 123.628 122.820 0.045 0.000 1.859 165 A HA -0.465 3.874 4.320 0.031 0.000 0.218 165 A C 1.962 179.609 177.584 0.105 0.000 1.242 165 A CA 3.329 55.394 52.037 0.046 0.000 0.661 165 A CB -1.087 17.920 19.000 0.011 0.000 0.842 165 A HN -0.000 8.120 8.150 0.032 0.049 0.455 166 H N -0.715 118.377 119.070 0.036 0.000 2.489 166 H HA -0.200 4.375 4.556 0.031 0.000 0.293 166 H C 1.976 177.352 175.328 0.080 0.000 1.066 166 H CA 1.984 58.065 56.048 0.054 0.000 1.305 166 H CB -0.249 29.560 29.762 0.079 0.000 1.386 166 H HN 0.024 8.415 8.280 0.184 0.000 0.551 167 R N -3.007 117.609 120.500 0.193 0.000 2.105 167 R HA -0.289 4.150 4.340 0.164 0.000 0.239 167 R C 2.283 178.650 176.300 0.111 0.000 1.135 167 R CA 1.876 58.050 56.100 0.124 0.000 0.967 167 R CB -1.090 29.224 30.300 0.024 0.000 0.861 167 R HN -0.635 7.604 8.270 0.169 0.132 0.442 168 T N -3.800 110.817 114.554 0.106 0.000 2.803 168 T HA -0.346 4.067 4.350 0.105 0.000 0.269 168 T C 1.066 175.829 174.700 0.104 0.000 1.052 168 T CA 3.367 65.529 62.100 0.102 0.000 1.136 168 T CB 0.243 69.163 68.868 0.086 0.000 0.864 168 T HN -0.464 7.828 8.240 0.104 0.011 0.467 169 G N -0.601 108.267 108.800 0.113 0.000 5.155 169 G HA2 -0.429 3.658 3.960 0.107 0.000 0.239 169 G HA3 -0.429 3.579 3.960 0.079 0.000 0.239 169 G C 0.618 175.525 174.900 0.012 0.000 1.409 169 G CA 1.313 46.465 45.100 0.087 0.000 0.927 169 G HN -0.395 7.841 8.290 0.154 0.146 0.710 170 T N 3.374 117.870 114.554 -0.096 0.000 2.792 170 T HA -0.361 3.804 4.350 -0.308 0.000 0.268 170 T C 0.888 175.423 174.700 -0.275 0.000 1.059 170 T CA 2.344 64.225 62.100 -0.365 0.000 1.136 170 T CB -0.139 68.083 68.868 -1.077 0.000 0.846 170 T HN -0.212 7.966 8.240 -0.026 0.046 0.489 171 L N 1.228 122.366 121.223 -0.142 0.000 2.652 171 L HA -0.233 4.023 4.340 -0.139 0.000 0.284 171 L C -1.057 175.766 176.870 -0.078 0.000 1.204 171 L CA 1.149 55.928 54.840 -0.101 0.000 1.105 171 L CB -1.197 40.832 42.059 -0.050 0.000 1.393 171 L HN 0.032 8.173 8.230 -0.083 0.039 0.452 172 E N 4.133 124.274 120.200 -0.098 0.000 2.263 172 E HA 0.178 4.496 4.350 -0.052 0.000 0.264 172 E C -0.405 176.153 176.600 -0.071 0.000 0.923 172 E CA -2.520 53.839 56.400 -0.069 0.000 0.802 172 E CB 3.979 33.642 29.700 -0.061 0.000 1.228 172 E HN 0.512 9.130 8.360 -0.134 -0.338 0.417 173 L N 1.684 122.872 121.223 -0.058 0.000 2.450 173 L HA -0.205 4.101 4.340 -0.056 0.000 0.256 173 L C -0.012 176.832 176.870 -0.043 0.000 1.374 173 L CA 1.128 55.937 54.840 -0.051 0.000 1.210 173 L CB -1.710 40.323 42.059 -0.044 0.000 1.394 173 L HN 0.395 8.595 8.230 -0.050 0.000 0.438 174 G N 2.006 110.777 108.800 -0.048 0.000 4.154 174 G HA2 -0.041 3.899 3.960 -0.033 0.000 0.228 174 G HA3 -0.041 3.897 3.960 -0.036 0.000 0.228 174 G C -1.718 173.155 174.900 -0.045 0.000 2.157 174 G CA 0.148 45.224 45.100 -0.040 0.000 1.088 174 G HN 0.394 8.606 8.290 -0.057 0.044 0.506 175 D N 0.936 121.304 120.400 -0.054 0.000 2.481 175 D HA 0.305 4.916 4.640 -0.048 0.000 0.246 175 D C -1.224 175.051 176.300 -0.042 0.000 1.109 175 D CA -1.032 52.934 54.000 -0.057 0.000 0.845 175 D CB 2.351 43.095 40.800 -0.093 0.000 1.160 175 D HN -0.574 7.763 8.370 -0.054 0.000 0.534 176 K N 3.368 123.752 120.400 -0.028 0.000 2.315 176 K HA 0.113 4.549 4.320 -0.025 -0.130 0.291 176 K C -0.171 176.412 176.600 -0.028 0.000 1.074 176 K CA -1.168 55.105 56.287 -0.023 0.000 0.936 176 K CB -0.641 31.851 32.500 -0.013 0.000 1.049 176 K HN 0.274 8.511 8.250 -0.021 0.000 0.471 177 L N 3.846 125.049 121.223 -0.034 0.000 2.436 177 L HA -0.064 4.380 4.340 -0.052 -0.135 0.265 177 L C -0.389 176.458 176.870 -0.038 0.000 1.168 177 L CA 0.563 55.379 54.840 -0.042 0.000 0.815 177 L CB 0.862 42.897 42.059 -0.039 0.000 1.109 177 L HN 0.169 8.380 8.230 -0.032 0.000 0.462 178 L N 1.107 122.300 121.223 -0.050 0.000 2.603 178 L HA 0.363 4.686 4.340 -0.027 0.000 0.189 178 L C -1.762 175.084 176.870 -0.039 0.000 1.082 178 L CA 0.524 55.340 54.840 -0.040 0.000 0.921 178 L CB 3.515 45.551 42.059 -0.038 0.000 1.694 178 L HN 0.542 8.731 8.230 -0.069 0.000 0.491 179 A N -3.119 119.664 122.820 -0.062 0.000 2.311 179 A HA 0.623 5.006 4.320 -0.022 -0.076 0.334 179 A C -1.986 175.575 177.584 -0.040 0.000 1.139 179 A CA -1.844 50.168 52.037 -0.042 0.000 0.830 179 A CB 2.980 21.960 19.000 -0.033 0.000 1.234 179 A HN -0.647 7.443 8.150 -0.099 0.000 0.483 180 I N -0.146 120.416 120.570 -0.013 0.000 2.497 180 I HA 0.529 4.878 4.170 -0.008 -0.184 0.284 180 I C -0.406 175.718 176.117 0.012 0.000 1.060 180 I CA -2.464 58.834 61.300 -0.004 0.000 1.071 180 I CB 1.849 39.845 38.000 -0.007 0.000 1.216 180 I HN 0.780 8.864 8.210 -0.005 0.123 0.442 181 D N 9.864 130.279 120.400 0.025 0.000 2.697 181 D HA -0.451 4.216 4.640 0.045 0.000 0.238 181 D C -0.810 175.511 176.300 0.034 0.000 1.152 181 D CA 1.520 55.540 54.000 0.033 0.000 0.666 181 D CB -0.667 40.146 40.800 0.021 0.000 1.037 181 D HN 1.081 9.350 8.370 0.028 0.118 0.423 182 N N -6.701 112.028 118.700 0.048 0.000 2.825 182 N HA -0.396 4.382 4.740 0.063 0.000 0.206 182 N C -1.012 174.516 175.510 0.031 0.000 1.057 182 N CA 2.777 55.854 53.050 0.045 0.000 1.343 182 N CB -0.267 38.240 38.487 0.034 0.000 0.942 182 N HN 0.271 8.688 8.380 0.062 0.000 0.562 183 I N 0.126 120.709 120.570 0.020 0.000 2.779 183 I HA -0.019 4.158 4.170 0.013 0.000 0.285 183 I C -0.544 175.578 176.117 0.009 0.000 1.134 183 I CA -0.158 61.149 61.300 0.012 0.000 1.398 183 I CB -0.276 37.728 38.000 0.007 0.000 1.404 183 I HN -0.507 7.524 8.210 0.020 0.192 0.587 184 R N 3.434 123.938 120.500 0.006 0.000 2.483 184 R HA 0.284 4.623 4.340 -0.002 0.000 0.303 184 R C 0.134 176.434 176.300 -0.001 0.000 0.987 184 R CA -0.654 55.448 56.100 0.003 0.000 0.881 184 R CB 1.217 31.522 30.300 0.008 0.000 1.177 184 R HN 0.104 8.378 8.270 0.007 0.000 0.451 185 L N 1.980 123.201 121.223 -0.005 0.000 2.492 185 L HA 0.035 4.373 4.340 -0.004 0.000 0.223 185 L C -0.309 176.559 176.870 -0.004 0.000 1.132 185 L CA 0.236 55.072 54.840 -0.005 0.000 0.850 185 L CB 0.109 42.163 42.059 -0.008 0.000 0.966 185 L HN 0.002 8.227 8.230 -0.008 0.000 0.454 186 D N -1.559 118.839 120.400 -0.004 0.000 2.697 186 D HA -0.378 4.261 4.640 -0.001 0.000 0.238 186 D C -1.275 175.023 176.300 -0.004 0.000 1.152 186 D CA 0.882 54.881 54.000 -0.002 0.000 0.666 186 D CB -0.763 40.038 40.800 0.000 0.000 1.037 186 D HN -0.062 8.250 8.370 -0.004 0.055 0.423 187 S N -4.210 111.486 115.700 -0.006 0.000 3.681 187 S HA -0.445 4.019 4.470 -0.009 0.000 0.473 187 S C -1.319 173.277 174.600 -0.006 0.000 0.830 187 S CA 1.673 59.868 58.200 -0.007 0.000 1.355 187 S CB -0.455 62.743 63.200 -0.005 0.000 0.892 187 S HN 0.308 8.613 8.310 -0.008 0.000 0.649 188 C N -0.802 118.493 119.300 -0.008 0.000 3.205 188 C HA 0.260 4.716 4.460 -0.006 0.000 0.372 188 C C -0.709 174.276 174.990 -0.008 0.000 1.892 188 C CA -2.350 56.664 59.018 -0.007 0.000 1.516 188 C CB 3.247 30.983 27.740 -0.006 0.000 2.371 188 C HN 0.071 8.295 8.230 -0.009 0.000 0.468 189 S N -0.253 115.443 115.700 -0.008 0.000 2.566 189 S HA -0.070 4.395 4.470 -0.008 0.000 0.280 189 S C 1.425 176.019 174.600 -0.010 0.000 1.343 189 S CA 1.252 59.447 58.200 -0.008 0.000 1.036 189 S CB 0.656 63.851 63.200 -0.008 0.000 0.866 189 S HN 0.295 8.601 8.310 -0.007 0.000 0.526 190 M N 3.441 123.035 119.600 -0.011 0.000 2.200 190 M HA -0.238 4.234 4.480 -0.014 0.000 0.265 190 M C 1.788 178.081 176.300 -0.012 0.000 1.066 190 M CA 4.122 59.414 55.300 -0.013 0.000 1.127 190 M CB -0.051 32.541 32.600 -0.014 0.000 1.379 190 M HN 0.597 8.880 8.290 -0.010 0.000 0.420 191 E N -0.648 119.546 120.200 -0.011 0.000 2.070 191 E HA -0.400 3.944 4.350 -0.010 0.000 0.197 191 E C 1.337 177.931 176.600 -0.010 0.000 1.004 191 E CA 3.700 60.094 56.400 -0.010 0.000 0.805 191 E CB -0.841 28.853 29.700 -0.009 0.000 0.744 191 E HN 0.414 8.768 8.360 -0.010 0.000 0.451 192 D N -1.596 118.799 120.400 -0.009 0.000 2.126 192 D HA -0.299 4.336 4.640 -0.008 0.000 0.190 192 D C 1.695 177.989 176.300 -0.009 0.000 1.001 192 D CA 3.684 57.679 54.000 -0.009 0.000 0.841 192 D CB -0.528 40.267 40.800 -0.008 0.000 0.949 192 D HN 0.094 8.458 8.370 -0.009 0.000 0.446 193 A N -2.131 120.682 122.820 -0.011 0.000 1.940 193 A HA -0.385 3.928 4.320 -0.011 0.000 0.219 193 A C 1.574 179.151 177.584 -0.011 0.000 1.176 193 A CA 3.427 55.457 52.037 -0.012 0.000 0.631 193 A CB -0.576 18.415 19.000 -0.015 0.000 0.814 193 A HN -0.402 7.741 8.150 -0.011 0.000 0.446 194 V N -2.716 117.191 119.914 -0.012 0.000 2.490 194 V HA -0.472 3.641 4.120 -0.012 0.000 0.250 194 V C 2.171 178.259 176.094 -0.010 0.000 1.061 194 V CA 3.891 66.184 62.300 -0.011 0.000 1.064 194 V CB -0.753 31.064 31.823 -0.011 0.000 0.670 194 V HN -0.739 7.331 8.190 -0.012 0.113 0.461 195 Q N -0.415 119.379 119.800 -0.009 0.000 2.016 195 Q HA -0.269 4.065 4.340 -0.010 0.000 0.200 195 Q C 2.713 178.708 176.000 -0.009 0.000 0.978 195 Q CA 3.146 58.944 55.803 -0.009 0.000 0.833 195 Q CB -0.157 28.575 28.738 -0.009 0.000 0.895 195 Q HN -0.278 7.834 8.270 -0.010 0.152 0.427 196 I N -0.576 119.989 120.570 -0.008 0.000 2.676 196 I HA -0.377 3.789 4.170 -0.006 0.000 0.259 196 I C 2.279 178.393 176.117 -0.005 0.000 1.194 196 I CA 3.180 64.476 61.300 -0.006 0.000 1.473 196 I CB -0.481 37.517 38.000 -0.004 0.000 1.096 196 I HN -0.426 7.779 8.210 -0.008 0.000 0.443 197 L N -0.839 120.380 121.223 -0.006 0.000 2.083 197 L HA -0.451 3.887 4.340 -0.003 0.000 0.209 197 L C 1.619 178.486 176.870 -0.004 0.000 1.083 197 L CA 3.749 58.586 54.840 -0.005 0.000 0.752 197 L CB -0.244 41.810 42.059 -0.009 0.000 0.899 197 L HN 0.181 8.180 8.230 -0.008 0.226 0.433 198 Q N -3.843 115.953 119.800 -0.006 0.000 2.165 198 Q HA -0.197 4.141 4.340 -0.003 0.000 0.197 198 Q C 2.107 178.101 176.000 -0.009 0.000 0.952 198 Q CA 2.173 57.973 55.803 -0.006 0.000 0.848 198 Q CB 0.256 28.989 28.738 -0.008 0.000 0.931 198 Q HN -0.664 7.602 8.270 -0.008 0.000 0.470 199 Q N -1.224 118.569 119.800 -0.012 0.000 2.439 199 Q HA -0.183 4.143 4.340 -0.023 0.000 0.211 199 Q C 1.932 177.925 176.000 -0.012 0.000 0.978 199 Q CA 2.168 57.961 55.803 -0.016 0.000 0.897 199 Q CB 0.303 29.032 28.738 -0.015 0.000 0.956 199 Q HN -0.055 8.104 8.270 -0.010 0.105 0.483 200 C N 0.200 119.497 119.300 -0.005 0.000 2.329 200 C HA 0.014 4.475 4.460 0.001 0.000 0.399 200 C C -0.882 174.112 174.990 0.007 0.000 1.323 200 C CA -1.109 57.910 59.018 0.002 0.000 1.721 200 C CB -2.786 24.958 27.740 0.006 0.000 2.124 200 C HN -0.343 7.822 8.230 -0.004 0.063 0.585 201 E N 0.496 120.696 120.200 0.001 0.000 2.614 201 E HA -0.114 4.306 4.350 0.026 -0.054 0.321 201 E C -1.027 175.593 176.600 0.033 0.000 1.354 201 E CA 0.723 57.133 56.400 0.016 0.000 1.469 201 E CB -1.889 27.806 29.700 -0.007 0.000 1.197 201 E HN -0.416 7.820 8.360 -0.011 0.118 0.497 202 D N -2.603 117.815 120.400 0.030 0.000 1.638 202 D HA 0.055 4.876 4.640 0.047 -0.153 0.722 202 D C -1.061 175.254 176.300 0.025 0.000 0.662 202 D CA 1.087 55.107 54.000 0.034 0.000 1.220 202 D CB 3.533 44.349 40.800 0.027 0.000 1.303 202 D HN 0.512 8.821 8.370 0.024 0.076 0.452 203 L N -0.491 120.745 121.223 0.022 0.000 3.688 203 L HA 0.219 4.806 4.340 0.022 -0.234 0.258 203 L C -2.710 174.174 176.870 0.024 0.000 0.993 203 L CA 0.870 55.724 54.840 0.022 0.000 1.283 203 L CB 2.146 44.218 42.059 0.022 0.000 1.960 203 L HN -0.507 7.735 8.230 0.020 0.000 0.652 204 V N 6.060 125.989 119.914 0.025 0.000 2.350 204 V HA 0.118 4.251 4.120 0.022 0.000 0.276 204 V C -1.746 174.370 176.094 0.037 0.000 1.028 204 V CA -0.725 61.590 62.300 0.025 0.000 0.860 204 V CB 1.254 33.088 31.823 0.017 0.000 0.990 204 V HN 0.674 8.878 8.190 0.024 0.000 0.453 205 K N 9.463 129.889 120.400 0.043 0.000 2.334 205 K HA 0.437 5.087 4.320 0.079 -0.282 0.265 205 K C -1.186 175.442 176.600 0.046 0.000 1.039 205 K CA -1.685 54.642 56.287 0.068 0.000 0.920 205 K CB 1.334 33.890 32.500 0.092 0.000 1.160 205 K HN 0.414 8.686 8.250 0.036 0.000 0.451 206 L N 7.557 128.804 121.223 0.040 0.000 2.257 206 L HA 0.321 4.647 4.340 -0.022 0.000 0.290 206 L C -1.102 175.734 176.870 -0.057 0.000 1.044 206 L CA -0.906 53.930 54.840 -0.007 0.000 0.810 206 L CB 0.623 42.678 42.059 -0.006 0.000 1.193 206 L HN 0.078 8.346 8.230 0.062 0.000 0.425 207 K N 7.161 127.456 120.400 -0.176 0.000 2.266 207 K HA 0.347 4.472 4.320 -0.580 -0.153 0.274 207 K C -1.114 175.359 176.600 -0.212 0.000 1.090 207 K CA -0.544 55.482 56.287 -0.434 0.000 0.925 207 K CB 0.539 32.646 32.500 -0.655 0.000 1.225 207 K HN 0.302 8.476 8.250 -0.128 0.000 0.458 208 I N 1.023 121.532 120.570 -0.102 0.000 3.205 208 I HA 0.910 5.163 4.170 -0.052 -0.115 0.310 208 I C -1.203 174.927 176.117 0.022 0.000 1.089 208 I CA -3.563 57.715 61.300 -0.037 0.000 1.023 208 I CB 3.091 41.068 38.000 -0.039 0.000 1.269 208 I HN 1.077 9.166 8.210 -0.051 0.092 0.512 209 R N 0.008 120.522 120.500 0.024 0.000 2.460 209 R HA 0.768 5.442 4.340 0.082 -0.284 0.303 209 R C -0.873 175.467 176.300 0.067 0.000 0.968 209 R CA -1.285 54.847 56.100 0.054 0.000 0.889 209 R CB 2.842 33.159 30.300 0.028 0.000 1.123 209 R HN -0.099 8.082 8.270 -0.001 0.089 0.455 210 K N 2.511 122.980 120.400 0.114 0.000 2.443 210 K HA 0.292 4.650 4.320 0.064 0.000 0.251 210 K C -2.044 174.613 176.600 0.094 0.000 0.972 210 K CA -1.164 55.192 56.287 0.115 0.000 0.833 210 K CB 3.458 36.096 32.500 0.230 0.000 1.317 210 K HN 0.017 8.210 8.250 0.131 0.135 0.441 211 D N -1.023 119.420 120.400 0.073 0.000 4.260 211 D HA -0.356 4.314 4.640 0.051 0.000 0.245 211 D C -0.391 175.931 176.300 0.037 0.000 1.060 211 D CA 0.732 54.765 54.000 0.055 0.000 1.146 211 D CB 0.128 40.964 40.800 0.060 0.000 0.837 211 D HN 0.317 8.726 8.370 0.066 0.000 0.390 212 E N 1.551 121.768 120.200 0.027 0.000 2.425 212 E HA -0.040 4.321 4.350 0.018 0.000 0.258 212 E C 0.797 177.407 176.600 0.018 0.000 1.151 212 E CA 0.041 56.452 56.400 0.019 0.000 0.958 212 E CB 0.694 30.401 29.700 0.013 0.000 0.968 212 E HN -0.272 8.104 8.360 0.027 0.000 0.451 213 D N 0.000 120.408 120.400 0.014 0.000 6.856 213 D HA 0.000 4.648 4.640 0.014 0.000 0.175 213 D CA 0.000 54.008 54.000 0.012 0.000 0.868 213 D CB 0.000 40.806 40.800 0.010 0.000 0.688 213 D HN 0.000 8.377 8.370 0.012 0.000 0.683