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 1zgw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKKATCLTDD QRWQSVLARD PNADGEFVFA VRTTGIFXRP SCRARHALRE DATA SEQUENCE NVSFYANASE ALAAGFRPCK RCQPDKANPR QHRLDKITHA CRLLEQETPV DATA SEQUENCE TLEALADQVA MSPFHLHRLF KATTGMTPKA WQQAWRARR 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 4.483 4.480 0.005 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 K N 1.049 121.445 120.400 -0.007 0.000 5.934 2 K HA -0.252 4.060 4.320 -0.015 0.000 0.500 2 K C -1.924 174.663 176.600 -0.022 0.000 1.231 2 K CA 0.642 56.919 56.287 -0.015 0.000 1.388 2 K CB -0.670 31.819 32.500 -0.019 0.000 1.841 2 K HN 0.161 8.408 8.250 -0.004 0.000 0.357 3 K N 0.679 121.067 120.400 -0.020 0.000 2.507 3 K HA 0.369 4.666 4.320 -0.038 0.000 0.252 3 K C -0.663 175.919 176.600 -0.030 0.000 0.943 3 K CA -0.847 55.425 56.287 -0.026 0.000 0.808 3 K CB 1.669 34.163 32.500 -0.010 0.000 1.142 3 K HN -0.283 7.958 8.250 -0.015 0.000 0.426 4 A N 5.107 127.900 122.820 -0.046 0.000 2.404 4 A HA 0.120 4.419 4.320 -0.035 0.000 0.258 4 A C 1.120 178.685 177.584 -0.032 0.000 1.644 4 A CA 0.361 52.372 52.037 -0.042 0.000 0.847 4 A CB 0.596 19.559 19.000 -0.061 0.000 1.473 4 A HN 1.119 9.232 8.150 -0.062 0.000 0.602 5 T N 1.928 116.464 114.554 -0.030 0.000 3.928 5 T HA -0.183 4.159 4.350 -0.014 0.000 0.247 5 T C -0.357 174.333 174.700 -0.017 0.000 0.955 5 T CA 1.181 63.269 62.100 -0.020 0.000 0.935 5 T CB -2.855 66.001 68.868 -0.020 0.000 1.180 5 T HN 0.179 8.397 8.240 -0.035 0.000 0.660 6 C N -1.097 118.193 119.300 -0.017 0.000 4.623 6 C HA -0.310 4.152 4.460 0.002 0.000 0.294 6 C C -2.026 172.953 174.990 -0.018 0.000 1.274 6 C CA 0.606 59.621 59.018 -0.005 0.000 2.099 6 C CB -0.577 27.168 27.740 0.009 0.000 1.221 6 C HN 0.819 8.907 8.230 -0.021 0.129 0.767 7 L N 1.433 122.621 121.223 -0.058 0.000 2.332 7 L HA 0.129 4.395 4.340 -0.124 0.000 0.260 7 L C -0.938 175.828 176.870 -0.174 0.000 1.344 7 L CA 0.858 55.633 54.840 -0.109 0.000 0.741 7 L CB 0.123 42.140 42.059 -0.070 0.000 0.930 7 L HN -0.404 7.789 8.230 -0.061 0.000 0.556 8 T N 5.713 120.146 114.554 -0.202 0.000 4.309 8 T HA 0.086 4.331 4.350 -0.174 0.000 0.242 8 T C 0.619 175.080 174.700 -0.399 0.000 1.142 8 T CA 0.871 62.836 62.100 -0.224 0.000 1.042 8 T CB -1.306 67.463 68.868 -0.164 0.000 1.366 8 T HN 0.328 8.461 8.240 -0.178 0.000 0.942 9 D N 2.512 122.615 120.400 -0.496 0.000 2.244 9 D HA -0.510 3.155 4.640 -1.626 0.000 0.197 9 D C 1.299 177.096 176.300 -0.838 0.000 1.006 9 D CA 3.988 57.383 54.000 -1.008 0.000 0.888 9 D CB -0.543 39.932 40.800 -0.541 0.000 0.912 9 D HN 0.382 8.475 8.370 -0.344 0.071 0.452 10 D N 0.756 120.929 120.400 -0.379 0.000 2.092 10 D HA -0.320 4.262 4.640 -0.096 0.000 0.193 10 D C 2.342 178.559 176.300 -0.140 0.000 0.994 10 D CA 3.686 57.581 54.000 -0.174 0.000 0.828 10 D CB -0.299 40.437 40.800 -0.108 0.000 0.963 10 D HN 0.213 8.369 8.370 -0.302 0.033 0.450 11 Q N -0.693 118.994 119.800 -0.188 0.000 2.269 11 Q HA -0.166 4.130 4.340 -0.072 0.000 0.201 11 Q C 2.391 178.278 176.000 -0.189 0.000 0.946 11 Q CA 2.431 58.154 55.803 -0.132 0.000 0.877 11 Q CB -0.107 28.570 28.738 -0.102 0.000 0.963 11 Q HN -0.168 7.898 8.270 -0.216 0.075 0.472 12 R N 0.273 120.505 120.500 -0.448 0.000 2.103 12 R HA -0.356 3.726 4.340 -0.432 0.000 0.242 12 R C 1.951 178.151 176.300 -0.166 0.000 1.142 12 R CA 2.698 58.368 56.100 -0.717 0.000 0.960 12 R CB -0.901 28.392 30.300 -1.678 0.000 0.858 12 R HN 0.520 8.281 8.270 -0.537 0.187 0.439 13 W N 0.235 121.269 121.300 -0.443 0.000 2.358 13 W HA -0.411 4.485 4.660 0.393 0.000 0.303 13 W C 0.951 177.484 176.519 0.022 0.000 1.208 13 W CA 2.166 59.548 57.345 0.062 0.000 1.274 13 W CB 0.148 29.662 29.460 0.089 0.000 1.138 13 W HN 0.491 8.296 8.180 -0.451 0.104 0.515 14 Q N -0.927 118.821 119.800 -0.087 0.000 2.226 14 Q HA -0.377 3.787 4.340 -0.292 0.000 0.204 14 Q C 2.786 178.691 176.000 -0.158 0.000 0.975 14 Q CA 3.081 58.776 55.803 -0.181 0.000 0.866 14 Q CB -0.749 27.942 28.738 -0.078 0.000 0.915 14 Q HN -0.478 7.682 8.270 0.000 0.110 0.440 15 S N -0.071 115.619 115.700 -0.017 0.000 2.414 15 S HA -0.203 4.287 4.470 0.034 0.000 0.227 15 S C 2.058 176.697 174.600 0.064 0.000 1.022 15 S CA 3.913 62.171 58.200 0.097 0.000 0.958 15 S CB -0.182 63.222 63.200 0.340 0.000 0.797 15 S HN 0.401 8.469 8.310 0.018 0.253 0.493 16 V N 2.300 122.255 119.914 0.067 0.000 2.548 16 V HA -0.317 3.909 4.120 0.116 -0.036 0.249 16 V C 1.041 176.856 176.094 -0.466 0.000 1.055 16 V CA 3.557 65.806 62.300 -0.084 0.000 1.065 16 V CB -0.257 31.509 31.823 -0.095 0.000 0.681 16 V HN 0.216 8.267 8.190 0.136 0.220 0.462 17 L N -2.460 118.311 121.223 -0.752 0.000 2.298 17 L HA -0.066 3.675 4.340 -0.998 0.000 0.209 17 L C 1.176 177.798 176.870 -0.414 0.000 1.084 17 L CA 2.044 56.410 54.840 -0.790 0.000 0.816 17 L CB -0.264 41.239 42.059 -0.928 0.000 0.967 17 L HN 0.096 7.862 8.230 -0.734 0.024 0.460 18 A N -2.708 119.942 122.820 -0.283 0.000 2.208 18 A HA 0.009 4.236 4.320 -0.154 0.000 0.209 18 A C -0.494 177.032 177.584 -0.098 0.000 1.161 18 A CA 0.132 52.075 52.037 -0.155 0.000 0.782 18 A CB 0.371 19.307 19.000 -0.106 0.000 0.816 18 A HN -0.049 7.734 8.150 -0.300 0.187 0.477 19 R N -5.403 115.042 120.500 -0.091 0.000 3.416 19 R HA -0.473 4.068 4.340 0.004 -0.198 0.263 19 R C -1.151 175.144 176.300 -0.009 0.000 1.053 19 R CA 0.465 56.550 56.100 -0.025 0.000 0.705 19 R CB -3.179 27.109 30.300 -0.020 0.000 1.124 19 R HN -0.651 7.349 8.270 -0.142 0.185 0.444 20 D N 1.262 121.661 120.400 -0.001 0.000 2.363 20 D HA 0.126 4.771 4.640 0.009 0.000 0.263 20 D C 0.354 176.661 176.300 0.012 0.000 1.258 20 D CA -2.316 51.693 54.000 0.015 0.000 0.907 20 D CB 1.375 42.199 40.800 0.040 0.000 1.107 20 D HN -0.437 7.922 8.370 -0.001 0.011 0.495 21 P HA -0.058 4.359 4.420 -0.005 0.000 0.244 21 P C -0.951 176.354 177.300 0.009 0.000 1.211 21 P CA 0.945 64.049 63.100 0.007 0.000 0.760 21 P CB -0.006 31.706 31.700 0.019 0.000 0.961 22 N N -3.940 114.772 118.700 0.021 0.000 2.282 22 N HA -0.116 4.640 4.740 0.025 0.000 0.185 22 N C -0.294 175.244 175.510 0.045 0.000 1.099 22 N CA 0.835 53.904 53.050 0.032 0.000 0.878 22 N CB 0.233 38.746 38.487 0.043 0.000 0.993 22 N HN -0.140 8.282 8.380 0.026 -0.025 0.481 23 A N -2.730 120.115 122.820 0.041 0.000 2.343 23 A HA 0.213 4.626 4.320 0.155 0.000 0.223 23 A C -1.835 175.626 177.584 -0.205 0.000 1.214 23 A CA -0.880 51.197 52.037 0.067 0.000 0.900 23 A CB 1.967 21.142 19.000 0.291 0.000 0.942 23 A HN -0.277 7.723 8.150 0.023 0.164 0.507 24 D N -1.277 119.032 120.400 -0.152 0.000 2.343 24 D HA -0.148 4.322 4.640 -0.283 0.000 0.255 24 D C 1.200 177.435 176.300 -0.108 0.000 1.187 24 D CA 1.143 55.039 54.000 -0.173 0.000 0.875 24 D CB 0.213 40.964 40.800 -0.081 0.000 1.136 24 D HN -0.944 7.220 8.370 -0.071 0.163 0.469 25 G N 6.877 115.618 108.800 -0.098 0.000 2.345 25 G HA2 -0.441 3.515 3.960 -0.008 0.000 0.218 25 G HA3 -0.441 3.561 3.960 -0.044 -0.068 0.218 25 G C 0.018 174.923 174.900 0.010 0.000 1.058 25 G CA 0.875 45.955 45.100 -0.032 0.000 0.632 25 G HN 0.236 8.442 8.290 -0.141 0.000 0.508 26 E N 1.852 122.061 120.200 0.015 0.000 2.072 26 E HA -0.046 4.373 4.350 0.114 0.000 0.190 26 E C -0.767 175.996 176.600 0.272 0.000 0.982 26 E CA 2.312 58.794 56.400 0.137 0.000 0.803 26 E CB 1.201 31.017 29.700 0.195 0.000 0.755 26 E HN -0.380 7.827 8.360 -0.040 0.129 0.453 27 F N -9.267 110.789 119.950 0.178 0.000 2.745 27 F HA 1.063 5.978 4.527 0.232 -0.249 0.316 27 F C -2.532 173.470 175.800 0.337 0.000 1.155 27 F CA -2.113 56.041 58.000 0.257 0.000 0.937 27 F CB 2.945 42.118 39.000 0.288 0.000 1.361 27 F HN -0.565 7.623 8.300 -0.186 0.000 0.472 28 V N -4.834 115.498 119.914 0.697 0.000 3.164 28 V HA 0.433 4.767 4.120 0.356 0.000 0.313 28 V C -2.328 174.306 176.094 0.899 0.000 1.188 28 V CA -2.488 60.170 62.300 0.596 0.000 1.058 28 V CB 4.498 36.608 31.823 0.479 0.000 1.110 28 V HN 0.278 8.952 8.190 0.848 0.025 0.453 29 F N -1.784 118.442 119.950 0.460 0.000 2.562 29 F HA 1.080 5.872 4.527 -0.040 -0.288 0.319 29 F C -2.246 173.580 175.800 0.043 0.000 1.154 29 F CA -2.945 55.139 58.000 0.140 0.000 0.931 29 F CB 2.436 41.578 39.000 0.237 0.000 1.198 29 F HN 0.047 8.624 8.300 0.462 0.000 0.444 30 A N 5.864 128.610 122.820 -0.123 0.000 2.253 30 A HA 0.705 4.798 4.320 -0.577 -0.119 0.316 30 A C -0.774 176.507 177.584 -0.504 0.000 1.327 30 A CA -2.174 49.583 52.037 -0.466 0.000 0.917 30 A CB 1.078 19.824 19.000 -0.423 0.000 1.162 30 A HN 0.970 9.050 8.150 0.083 0.120 0.535 31 V N 6.607 126.181 119.914 -0.567 0.000 2.372 31 V HA 0.170 4.380 4.120 -0.178 -0.197 0.261 31 V C 0.443 176.310 176.094 -0.379 0.000 1.055 31 V CA -0.354 61.759 62.300 -0.311 0.000 0.930 31 V CB -0.414 31.298 31.823 -0.185 0.000 1.031 31 V HN 0.901 8.580 8.190 -0.699 0.092 0.479 32 R N 9.034 129.392 120.500 -0.237 0.000 2.237 32 R HA -0.233 4.128 4.340 0.036 0.000 0.219 32 R C 1.169 177.480 176.300 0.018 0.000 1.080 32 R CA 3.111 59.194 56.100 -0.029 0.000 0.995 32 R CB -0.231 30.131 30.300 0.104 0.000 0.875 32 R HN 1.088 9.146 8.270 -0.168 0.112 0.462 33 T N -2.427 112.112 114.554 -0.024 0.000 2.833 33 T HA -0.216 4.146 4.350 0.019 0.000 0.269 33 T C 0.981 175.679 174.700 -0.004 0.000 1.054 33 T CA 3.053 65.153 62.100 0.000 0.000 1.135 33 T CB 0.169 69.037 68.868 -0.001 0.000 0.869 33 T HN -0.241 7.919 8.240 -0.055 0.048 0.466 34 T N -0.593 113.936 114.554 -0.041 0.000 2.975 34 T HA 0.178 4.521 4.350 -0.012 0.000 0.257 34 T C 0.635 175.320 174.700 -0.025 0.000 1.003 34 T CA -0.527 61.550 62.100 -0.039 0.000 0.932 34 T CB 1.375 70.199 68.868 -0.073 0.000 1.087 34 T HN -0.571 7.487 8.240 -0.087 0.130 0.512 35 G N 2.192 110.971 108.800 -0.034 0.000 2.198 35 G HA2 -0.353 3.832 3.960 0.375 0.000 0.257 35 G HA3 -0.353 3.765 3.960 0.263 0.000 0.257 35 G C -1.844 173.056 174.900 -0.001 0.000 1.042 35 G CA 0.721 45.921 45.100 0.167 0.000 0.791 35 G HN 0.076 8.199 8.290 -0.097 0.109 0.502 36 I N -2.242 118.129 120.570 -0.333 0.000 3.108 36 I HA 0.987 5.265 4.170 -0.182 -0.217 0.312 36 I C -1.820 173.990 176.117 -0.511 0.000 1.095 36 I CA -2.212 58.887 61.300 -0.336 0.000 1.000 36 I CB 4.143 41.947 38.000 -0.327 0.000 1.229 36 I HN -0.583 7.376 8.210 -0.418 0.000 0.454 40 P HA 0.006 4.616 4.420 0.316 0.000 0.226 40 P C -1.006 176.361 177.300 0.113 0.000 1.153 40 P CA 1.354 64.521 63.100 0.111 0.000 0.777 40 P CB 0.397 32.062 31.700 -0.059 0.000 0.794 41 S N -3.529 112.221 115.700 0.083 0.000 2.624 41 S HA -0.022 4.496 4.470 0.081 0.000 0.246 41 S C 0.436 175.104 174.600 0.113 0.000 1.072 41 S CA -1.549 56.700 58.200 0.082 0.000 1.045 41 S CB -0.759 62.458 63.200 0.029 0.000 0.851 41 S HN -0.423 7.873 8.310 0.045 0.040 0.480 42 C N 4.118 123.518 119.300 0.166 0.000 2.502 42 C HA -0.130 4.352 4.460 0.036 0.000 0.404 42 C C 1.329 176.381 174.990 0.103 0.000 1.409 42 C CA 1.399 60.472 59.018 0.091 0.000 1.648 42 C CB 0.179 27.942 27.740 0.040 0.000 2.571 42 C HN -0.692 7.618 8.230 0.234 0.061 0.601 43 R N 4.852 125.381 120.500 0.049 0.000 2.362 43 R HA -0.061 4.321 4.340 0.070 0.000 0.227 43 R C -0.291 176.032 176.300 0.040 0.000 0.905 43 R CA 0.221 56.351 56.100 0.049 0.000 1.067 43 R CB -0.447 29.868 30.300 0.026 0.000 1.078 43 R HN 0.421 8.702 8.270 0.018 0.000 0.516 44 A N 0.137 122.970 122.820 0.022 0.000 1.887 44 A HA 0.010 4.336 4.320 0.010 0.000 0.210 44 A C 0.233 177.842 177.584 0.042 0.000 1.221 44 A CA 0.822 52.865 52.037 0.011 0.000 0.635 44 A CB 0.789 19.771 19.000 -0.030 0.000 0.881 44 A HN -0.442 7.656 8.150 0.007 0.056 0.456 45 R N -3.799 116.738 120.500 0.062 0.000 3.086 45 R HA 0.048 4.497 4.340 0.182 0.000 0.286 45 R C -2.187 174.208 176.300 0.159 0.000 0.958 45 R CA -0.132 56.048 56.100 0.134 0.000 0.822 45 R CB 1.118 31.464 30.300 0.078 0.000 1.382 45 R HN -0.213 8.069 8.270 0.019 0.000 0.519 46 H N -1.346 117.813 119.070 0.148 0.000 2.980 46 H HA 0.440 5.230 4.556 0.391 0.000 0.367 46 H C -1.497 173.975 175.328 0.240 0.000 1.206 46 H CA -0.389 55.815 56.048 0.259 0.000 1.126 46 H CB 2.719 32.601 29.762 0.201 0.000 1.838 46 H HN 0.214 8.674 8.280 0.299 0.000 0.552 47 A N 1.058 124.149 122.820 0.452 0.000 2.384 47 A HA 0.255 4.706 4.320 0.219 0.000 0.312 47 A C -1.370 176.395 177.584 0.302 0.000 1.113 47 A CA -0.851 51.360 52.037 0.290 0.000 0.779 47 A CB 1.681 20.797 19.000 0.194 0.000 1.307 47 A HN 0.203 8.725 8.150 0.620 0.000 0.436 48 L N -0.732 120.591 121.223 0.166 0.000 2.503 48 L HA -0.165 4.292 4.340 0.195 0.000 0.287 48 L C 1.603 178.393 176.870 -0.132 0.000 1.252 48 L CA 0.155 55.053 54.840 0.097 0.000 0.835 48 L CB 0.654 42.740 42.059 0.046 0.000 1.099 48 L HN 0.011 8.319 8.230 0.130 0.000 0.516 49 R N 0.723 121.016 120.500 -0.346 0.000 2.120 49 R HA -0.385 2.934 4.340 -1.702 0.000 0.234 49 R C 2.236 178.277 176.300 -0.432 0.000 1.123 49 R CA 3.015 58.565 56.100 -0.918 0.000 0.975 49 R CB -0.126 29.656 30.300 -0.864 0.000 0.866 49 R HN 0.447 8.652 8.270 -0.109 0.000 0.446 50 E N -1.066 119.002 120.200 -0.219 0.000 2.082 50 E HA -0.312 3.982 4.350 -0.094 0.000 0.215 50 E C 0.527 177.065 176.600 -0.103 0.000 1.048 50 E CA 2.959 59.290 56.400 -0.115 0.000 0.869 50 E CB -0.493 29.172 29.700 -0.058 0.000 0.773 50 E HN 0.287 8.511 8.360 -0.174 0.031 0.466 51 N N -2.713 115.931 118.700 -0.094 0.000 2.362 51 N HA 0.046 4.761 4.740 -0.041 0.000 0.204 51 N C -1.309 174.132 175.510 -0.115 0.000 1.166 51 N CA 0.027 53.036 53.050 -0.068 0.000 0.831 51 N CB 0.645 39.110 38.487 -0.038 0.000 1.008 51 N HN -0.344 7.984 8.380 -0.088 0.000 0.472 52 V N 1.230 121.026 119.914 -0.198 0.000 2.417 52 V HA 0.296 4.449 4.120 -0.134 -0.113 0.291 52 V C -1.196 174.677 176.094 -0.369 0.000 1.024 52 V CA -0.934 61.214 62.300 -0.254 0.000 0.861 52 V CB 1.377 32.898 31.823 -0.504 0.000 0.985 52 V HN -0.046 7.743 8.190 -0.238 0.259 0.436 53 S N 6.536 122.037 115.700 -0.332 0.000 2.751 53 S HA 0.258 4.611 4.470 -0.195 0.000 0.310 53 S C -1.828 172.412 174.600 -0.599 0.000 1.128 53 S CA -1.805 56.211 58.200 -0.307 0.000 0.931 53 S CB 2.420 65.618 63.200 -0.003 0.000 1.177 53 S HN 0.447 8.574 8.310 -0.205 0.060 0.530 54 F N -2.695 117.297 119.950 0.070 0.000 2.561 54 F HA 0.898 6.055 4.527 0.565 -0.291 0.321 54 F C 0.150 175.898 175.800 -0.085 0.000 1.065 54 F CA -1.661 56.466 58.000 0.211 0.000 0.934 54 F CB 4.012 43.014 39.000 0.002 0.000 1.215 54 F HN 0.224 8.615 8.300 0.152 0.000 0.471 55 Y N -0.189 120.317 120.300 0.344 0.000 2.545 55 Y HA 0.158 4.788 4.550 0.134 0.000 0.348 55 Y C -0.368 175.671 175.900 0.232 0.000 1.002 55 Y CA -1.190 57.017 58.100 0.178 0.000 1.039 55 Y CB 2.973 41.432 38.460 -0.002 0.000 1.271 55 Y HN -0.031 8.730 8.280 0.843 0.024 0.467 56 A N -0.172 122.808 122.820 0.267 0.000 1.898 56 A HA -0.193 4.366 4.320 0.254 -0.086 0.216 56 A C -0.351 177.363 177.584 0.215 0.000 1.181 56 A CA 2.433 54.604 52.037 0.223 0.000 0.620 56 A CB 0.194 19.276 19.000 0.136 0.000 0.819 56 A HN 0.416 8.688 8.150 0.204 0.000 0.442 57 N N -7.142 111.666 118.700 0.179 0.000 2.571 57 N HA 0.064 4.886 4.740 0.137 0.000 0.273 57 N C 0.298 175.829 175.510 0.035 0.000 1.340 57 N CA -1.394 51.728 53.050 0.120 0.000 0.789 57 N CB 1.399 39.936 38.487 0.083 0.000 1.514 57 N HN -0.741 7.752 8.380 0.188 0.000 0.499 58 A N -1.246 121.615 122.820 0.068 0.000 2.070 58 A HA -0.219 3.902 4.320 -0.331 0.000 0.220 58 A C 1.793 179.272 177.584 -0.175 0.000 1.159 58 A CA 2.841 54.894 52.037 0.025 0.000 0.656 58 A CB -0.612 18.653 19.000 0.442 0.000 0.800 58 A HN 0.640 8.866 8.150 0.125 0.000 0.453 59 S N -1.689 113.984 115.700 -0.045 0.000 2.387 59 S HA -0.244 4.218 4.470 -0.013 0.000 0.226 59 S C 2.055 176.592 174.600 -0.104 0.000 1.026 59 S CA 3.383 61.558 58.200 -0.042 0.000 0.972 59 S CB -0.161 63.045 63.200 0.011 0.000 0.814 59 S HN -0.224 8.154 8.310 0.012 -0.061 0.477 60 E N 2.067 122.225 120.200 -0.071 0.000 2.051 60 E HA -0.285 4.101 4.350 0.059 0.000 0.192 60 E C 1.935 178.455 176.600 -0.133 0.000 0.991 60 E CA 2.730 59.160 56.400 0.051 0.000 0.799 60 E CB -0.369 29.474 29.700 0.237 0.000 0.748 60 E HN 0.098 8.681 8.360 -0.038 -0.245 0.449 61 A N -1.316 121.039 122.820 -0.775 0.000 1.908 61 A HA -0.294 2.436 4.320 -2.650 0.000 0.218 61 A C 2.595 179.687 177.584 -0.820 0.000 1.181 61 A CA 3.053 54.019 52.037 -1.784 0.000 0.627 61 A CB -0.440 16.702 19.000 -3.096 0.000 0.818 61 A HN -0.530 7.232 8.150 -0.647 0.000 0.445 62 L N -1.775 119.099 121.223 -0.583 0.000 2.191 62 L HA -0.286 4.133 4.340 0.132 0.000 0.212 62 L C 2.694 179.504 176.870 -0.101 0.000 1.103 62 L CA 2.639 57.434 54.840 -0.076 0.000 0.769 62 L CB -0.246 41.830 42.059 0.029 0.000 0.908 62 L HN 0.475 8.076 8.230 -0.723 0.195 0.438 63 A N -1.756 120.985 122.820 -0.131 0.000 2.119 63 A HA -0.148 4.132 4.320 -0.067 0.000 0.216 63 A C 0.438 177.951 177.584 -0.118 0.000 1.152 63 A CA 1.542 53.531 52.037 -0.081 0.000 0.708 63 A CB -0.614 18.369 19.000 -0.028 0.000 0.805 63 A HN 0.404 8.192 8.150 -0.175 0.257 0.460 64 A N -2.472 120.242 122.820 -0.178 0.000 2.235 64 A HA 0.046 4.265 4.320 -0.169 0.000 0.208 64 A C 0.284 177.449 177.584 -0.699 0.000 1.172 64 A CA -0.449 51.399 52.037 -0.315 0.000 0.786 64 A CB -0.122 18.795 19.000 -0.138 0.000 0.804 64 A HN -0.501 7.333 8.150 -0.207 0.191 0.479 65 G N -2.004 106.516 108.800 -0.467 0.000 2.204 65 G HA2 -0.256 3.579 3.960 -0.207 0.000 0.244 65 G HA3 -0.256 3.462 3.960 -0.403 0.000 0.244 65 G C -0.764 173.883 174.900 -0.421 0.000 1.062 65 G CA -0.024 44.840 45.100 -0.392 0.000 0.798 65 G HN -0.587 7.425 8.290 -0.289 0.104 0.496 66 F N -1.742 118.203 119.950 -0.010 0.000 2.541 66 F HA 0.303 4.900 4.527 0.003 -0.068 0.331 66 F C -0.602 175.232 175.800 0.057 0.000 1.057 66 F CA -1.857 56.160 58.000 0.028 0.000 0.975 66 F CB 2.237 41.275 39.000 0.063 0.000 1.246 66 F HN -0.970 7.269 8.300 -0.101 0.000 0.484 67 R N 0.843 121.485 120.500 0.237 0.000 2.207 67 R HA 0.460 4.842 4.340 0.070 0.000 0.334 67 R C -2.071 174.173 176.300 -0.093 0.000 1.013 67 R CA -3.730 52.408 56.100 0.063 0.000 0.858 67 R CB -0.394 29.915 30.300 0.015 0.000 1.094 67 R HN 0.860 9.180 8.270 0.259 0.106 0.457 68 P HA -0.060 3.582 4.420 -1.298 0.000 0.267 68 P C -0.715 176.321 177.300 -0.441 0.000 1.205 68 P CA -0.476 62.257 63.100 -0.612 0.000 0.765 68 P CB 0.254 31.718 31.700 -0.392 0.000 0.828 69 C N 5.768 124.744 119.300 -0.540 0.000 2.601 69 C HA -0.116 4.184 4.460 -0.266 0.000 0.405 69 C C 1.578 176.428 174.990 -0.233 0.000 1.441 69 C CA 0.752 59.571 59.018 -0.332 0.000 1.555 69 C CB 0.260 27.785 27.740 -0.357 0.000 2.450 69 C HN 0.077 7.823 8.230 -0.806 0.000 0.614 70 K N 8.248 128.552 120.400 -0.160 0.000 2.589 70 K HA -0.293 3.963 4.320 -0.108 0.000 0.195 70 K C 0.393 176.937 176.600 -0.094 0.000 1.040 70 K CA 2.588 58.809 56.287 -0.110 0.000 0.950 70 K CB -0.242 32.209 32.500 -0.080 0.000 0.781 70 K HN 0.628 8.789 8.250 -0.149 0.000 0.486 71 R N -3.407 117.028 120.500 -0.109 0.000 2.167 71 R HA 0.117 4.422 4.340 -0.057 0.000 0.201 71 R C 0.729 176.979 176.300 -0.084 0.000 1.024 71 R CA 1.886 57.938 56.100 -0.078 0.000 1.053 71 R CB 1.196 31.452 30.300 -0.072 0.000 0.987 71 R HN -0.526 7.532 8.270 -0.140 0.128 0.493 72 C N -1.632 117.590 119.300 -0.130 0.000 2.634 72 C HA 0.450 5.116 4.460 -0.080 -0.255 0.268 72 C C 0.906 175.816 174.990 -0.135 0.000 1.322 72 C CA 0.267 59.209 59.018 -0.128 0.000 1.737 72 C CB -0.489 27.140 27.740 -0.186 0.000 1.976 72 C HN -0.561 7.474 8.230 -0.168 0.094 0.547 73 Q N 0.585 120.289 119.800 -0.161 0.000 2.089 73 Q HA -0.023 4.245 4.340 -0.120 0.000 0.195 73 Q C -0.172 175.793 176.000 -0.060 0.000 0.963 73 Q CA 2.685 58.412 55.803 -0.127 0.000 0.834 73 Q CB -1.000 27.641 28.738 -0.163 0.000 0.906 73 Q HN 0.249 8.282 8.270 -0.175 0.132 0.452 74 P HA -0.018 4.389 4.420 -0.022 0.000 0.218 74 P C -0.324 176.966 177.300 -0.017 0.000 1.152 74 P CA 0.696 63.778 63.100 -0.029 0.000 0.826 74 P CB 0.123 31.805 31.700 -0.030 0.000 0.790 75 D N -0.049 120.338 120.400 -0.021 0.000 2.414 75 D HA -0.115 4.527 4.640 0.002 0.000 0.251 75 D C -0.734 175.564 176.300 -0.004 0.000 1.252 75 D CA -0.336 53.660 54.000 -0.007 0.000 0.999 75 D CB 0.875 41.670 40.800 -0.008 0.000 1.093 75 D HN -0.627 7.722 8.370 -0.034 0.000 0.515 76 K N -2.643 117.761 120.400 0.006 0.000 2.207 76 K HA 0.290 4.612 4.320 0.005 0.000 0.255 76 K C -0.485 176.114 176.600 -0.001 0.000 0.941 76 K CA -1.217 55.074 56.287 0.006 0.000 0.825 76 K CB 2.254 34.765 32.500 0.018 0.000 1.119 76 K HN 0.179 8.436 8.250 0.011 0.000 0.430 77 A N 5.484 128.297 122.820 -0.011 0.000 3.819 77 A HA 0.072 4.705 4.320 -0.023 -0.327 0.178 77 A C 1.950 179.513 177.584 -0.034 0.000 1.817 77 A CA 1.401 53.422 52.037 -0.026 0.000 1.119 77 A CB 0.171 19.150 19.000 -0.036 0.000 1.166 77 A HN 0.528 8.673 8.150 -0.008 0.000 0.392 78 N N -1.574 117.092 118.700 -0.056 0.000 2.223 78 N HA -0.147 4.499 4.740 -0.053 0.062 0.185 78 N C -0.507 174.920 175.510 -0.138 0.000 1.016 78 N CA 4.123 57.123 53.050 -0.083 0.000 0.863 78 N CB -1.324 37.106 38.487 -0.095 0.000 0.983 78 N HN -0.388 7.959 8.380 -0.056 -0.000 0.429 79 P HA -0.182 4.100 4.420 -0.229 0.000 0.225 79 P C 0.700 178.004 177.300 0.007 0.000 1.148 79 P CA 1.697 64.739 63.100 -0.097 0.000 0.779 79 P CB -0.332 31.348 31.700 -0.033 0.000 0.780 80 R N -0.849 119.656 120.500 0.007 0.000 2.103 80 R HA -0.441 3.926 4.340 0.044 0.000 0.234 80 R C 2.127 178.478 176.300 0.085 0.000 1.132 80 R CA 4.039 60.165 56.100 0.043 0.000 0.925 80 R CB -0.551 29.768 30.300 0.032 0.000 0.842 80 R HN 0.462 8.498 8.270 -0.016 0.224 0.430 81 Q N -2.978 116.878 119.800 0.093 0.000 2.197 81 Q HA -0.351 4.073 4.340 0.139 0.000 0.207 81 Q C 2.929 179.067 176.000 0.231 0.000 0.984 81 Q CA 3.056 58.950 55.803 0.153 0.000 0.869 81 Q CB -0.425 28.403 28.738 0.149 0.000 0.906 81 Q HN -0.108 8.196 8.270 0.056 0.000 0.426 82 H N -0.412 118.675 119.070 0.029 0.000 2.357 82 H HA -0.107 4.460 4.556 0.018 0.000 0.301 82 H C 2.367 177.703 175.328 0.013 0.000 1.082 82 H CA 2.676 58.736 56.048 0.019 0.000 1.342 82 H CB -0.173 29.600 29.762 0.018 0.000 1.389 82 H HN -0.679 7.633 8.280 0.246 0.116 0.511 83 R N 0.179 120.767 120.500 0.146 0.000 2.189 83 R HA -0.207 4.160 4.340 0.045 0.000 0.223 83 R C 2.241 178.560 176.300 0.032 0.000 1.092 83 R CA 2.570 58.708 56.100 0.063 0.000 0.989 83 R CB -0.561 29.772 30.300 0.054 0.000 0.876 83 R HN -0.067 8.221 8.270 0.162 0.079 0.457 84 L N -0.911 120.353 121.223 0.067 0.000 2.179 84 L HA -0.144 4.212 4.340 0.027 0.000 0.208 84 L C 1.316 178.213 176.870 0.044 0.000 1.096 84 L CA 2.183 57.065 54.840 0.070 0.000 0.779 84 L CB -0.821 41.326 42.059 0.147 0.000 0.922 84 L HN -0.168 7.975 8.230 0.101 0.148 0.443 85 D N 0.017 120.437 120.400 0.032 0.000 2.144 85 D HA -0.322 4.302 4.640 -0.026 0.000 0.199 85 D C 2.384 178.678 176.300 -0.011 0.000 0.984 85 D CA 4.076 58.066 54.000 -0.015 0.000 0.834 85 D CB -0.187 40.576 40.800 -0.062 0.000 0.955 85 D HN -0.330 7.950 8.370 0.055 0.123 0.465 86 K N 0.005 120.396 120.400 -0.015 0.000 2.032 86 K HA -0.320 4.008 4.320 0.013 0.000 0.209 86 K C 2.371 178.948 176.600 -0.039 0.000 1.048 86 K CA 3.034 59.312 56.287 -0.016 0.000 0.927 86 K CB -0.256 32.221 32.500 -0.038 0.000 0.712 86 K HN -0.657 7.491 8.250 -0.011 0.095 0.441 87 I N -1.669 118.806 120.570 -0.158 0.000 2.208 87 I HA -0.467 3.475 4.170 -0.379 0.000 0.245 87 I C 2.035 178.004 176.117 -0.247 0.000 1.097 87 I CA 3.190 64.219 61.300 -0.451 0.000 1.363 87 I CB -1.228 36.257 38.000 -0.860 0.000 1.051 87 I HN -0.533 7.596 8.210 -0.135 0.000 0.413 88 T N 1.186 115.742 114.554 0.002 0.000 2.665 88 T HA -0.506 4.193 4.350 0.582 0.000 0.268 88 T C 1.997 176.793 174.700 0.161 0.000 1.035 88 T CA 5.359 67.577 62.100 0.197 0.000 1.151 88 T CB -0.466 68.355 68.868 -0.079 0.000 0.862 88 T HN -0.281 7.939 8.240 -0.033 0.000 0.438 89 H N 1.757 120.828 119.070 0.003 0.000 2.390 89 H HA -0.374 4.184 4.556 0.004 0.000 0.298 89 H C 1.347 176.713 175.328 0.063 0.000 1.106 89 H CA 3.565 59.620 56.048 0.012 0.000 1.297 89 H CB 0.181 29.932 29.762 -0.019 0.000 1.375 89 H HN -0.477 7.811 8.280 0.143 0.078 0.509 90 A N -1.643 121.325 122.820 0.246 0.000 1.948 90 A HA -0.359 4.081 4.320 0.199 0.000 0.220 90 A C 1.680 179.446 177.584 0.304 0.000 1.177 90 A CA 3.330 55.503 52.037 0.227 0.000 0.636 90 A CB -1.308 17.778 19.000 0.143 0.000 0.815 90 A HN -0.309 7.809 8.150 0.163 0.129 0.449 91 C N -1.693 117.840 119.300 0.389 0.000 2.432 91 C HA -0.323 4.705 4.460 0.332 -0.369 0.277 91 C C 1.835 176.940 174.990 0.191 0.000 1.249 91 C CA 2.205 61.429 59.018 0.343 0.000 1.725 91 C CB -0.423 27.586 27.740 0.448 0.000 2.028 91 C HN -0.107 8.229 8.230 0.416 0.144 0.477 92 R N 0.213 120.792 120.500 0.131 0.000 2.094 92 R HA -0.417 3.941 4.340 0.030 0.000 0.239 92 R C 2.354 178.710 176.300 0.093 0.000 1.137 92 R CA 3.532 59.663 56.100 0.051 0.000 0.943 92 R CB -0.263 29.991 30.300 -0.078 0.000 0.850 92 R HN -0.775 7.499 8.270 0.130 0.074 0.433 93 L N -1.440 119.873 121.223 0.149 0.000 2.079 93 L HA -0.281 4.216 4.340 0.116 -0.087 0.210 93 L C 2.410 179.350 176.870 0.116 0.000 1.081 93 L CA 3.380 58.301 54.840 0.135 0.000 0.752 93 L CB -0.139 42.015 42.059 0.159 0.000 0.896 93 L HN -0.217 8.134 8.230 0.201 0.000 0.433 94 L N -5.814 115.490 121.223 0.135 0.000 2.456 94 L HA -0.222 4.190 4.340 0.120 0.000 0.224 94 L C 0.823 177.742 176.870 0.081 0.000 1.148 94 L CA 2.251 57.162 54.840 0.118 0.000 0.825 94 L CB 0.016 42.158 42.059 0.138 0.000 0.937 94 L HN -0.293 7.941 8.230 0.163 0.094 0.450 95 E N -3.849 116.394 120.200 0.073 0.000 2.641 95 E HA 0.084 4.459 4.350 0.042 0.000 0.224 95 E C 0.120 176.745 176.600 0.040 0.000 0.951 95 E CA -0.240 56.188 56.400 0.048 0.000 1.102 95 E CB 0.912 30.638 29.700 0.043 0.000 1.091 95 E HN -0.324 7.881 8.360 0.085 0.205 0.507 96 Q N -0.481 119.349 119.800 0.049 0.000 2.061 96 Q HA -0.098 4.258 4.340 0.027 0.000 0.195 96 Q C 0.843 176.866 176.000 0.039 0.000 0.967 96 Q CA 1.800 57.626 55.803 0.039 0.000 0.829 96 Q CB 0.861 29.629 28.738 0.049 0.000 0.900 96 Q HN 0.117 8.224 8.270 0.064 0.202 0.450 97 E N -1.988 118.241 120.200 0.047 0.000 4.034 97 E HA 0.063 4.434 4.350 0.035 0.000 0.297 97 E C -0.154 176.469 176.600 0.039 0.000 1.372 97 E CA -0.555 55.869 56.400 0.041 0.000 1.555 97 E CB 0.992 30.720 29.700 0.046 0.000 1.488 97 E HN -0.570 7.825 8.360 0.058 0.000 0.782 98 T N -0.980 113.597 114.554 0.037 0.000 3.156 98 T HA 0.286 4.656 4.350 0.033 0.000 0.236 98 T C -1.146 173.579 174.700 0.043 0.000 0.978 98 T CA 0.937 63.058 62.100 0.035 0.000 1.240 98 T CB -0.462 68.424 68.868 0.028 0.000 0.951 98 T HN 0.053 8.314 8.240 0.036 0.000 0.420 99 P HA 0.086 4.536 4.420 0.050 0.000 0.271 99 P C -1.324 176.015 177.300 0.064 0.000 1.216 99 P CA -0.167 62.963 63.100 0.050 0.000 0.776 99 P CB 0.398 32.123 31.700 0.042 0.000 0.881 100 V N 0.912 120.875 119.914 0.081 0.000 2.775 100 V HA -0.093 4.088 4.120 0.102 0.000 0.299 100 V C 0.081 176.239 176.094 0.106 0.000 1.062 100 V CA 0.104 62.468 62.300 0.106 0.000 1.063 100 V CB 0.761 32.669 31.823 0.142 0.000 0.994 100 V HN 0.003 8.242 8.190 0.080 0.000 0.483 101 T N 3.406 118.030 114.554 0.118 0.000 2.893 101 T HA 0.198 4.597 4.350 0.083 0.000 0.324 101 T C -1.173 173.602 174.700 0.124 0.000 1.082 101 T CA -0.656 61.505 62.100 0.103 0.000 0.983 101 T CB 0.345 69.268 68.868 0.092 0.000 1.005 101 T HN -0.005 8.312 8.240 0.130 0.000 0.475 102 L N 4.433 125.722 121.223 0.111 0.000 3.076 102 L HA 0.237 4.654 4.340 0.128 0.000 0.271 102 L C 0.733 177.642 176.870 0.066 0.000 1.152 102 L CA 0.694 55.601 54.840 0.113 0.000 0.996 102 L CB 1.391 43.533 42.059 0.137 0.000 1.453 102 L HN 0.186 8.471 8.230 0.091 0.000 0.571 103 E N 2.082 122.311 120.200 0.049 0.000 2.108 103 E HA -0.494 3.868 4.350 0.019 0.000 0.203 103 E C 1.612 178.226 176.600 0.023 0.000 1.022 103 E CA 3.857 60.274 56.400 0.028 0.000 0.823 103 E CB -0.582 29.132 29.700 0.024 0.000 0.744 103 E HN 0.367 8.760 8.360 0.055 0.000 0.456 104 A N -1.909 120.926 122.820 0.026 0.000 1.898 104 A HA -0.133 4.193 4.320 0.010 0.000 0.216 104 A C 2.085 179.680 177.584 0.018 0.000 1.181 104 A CA 2.659 54.705 52.037 0.015 0.000 0.620 104 A CB -1.073 17.933 19.000 0.010 0.000 0.819 104 A HN 0.240 8.407 8.150 0.032 0.003 0.442 105 L N -0.021 121.221 121.223 0.031 0.000 1.988 105 L HA -0.276 4.079 4.340 0.024 0.000 0.207 105 L C 1.617 178.509 176.870 0.036 0.000 1.071 105 L CA 2.695 57.557 54.840 0.036 0.000 0.744 105 L CB -1.067 41.029 42.059 0.062 0.000 0.893 105 L HN -0.711 7.468 8.230 0.042 0.076 0.433 106 A N -0.885 121.958 122.820 0.038 0.000 1.917 106 A HA -0.392 4.006 4.320 0.035 -0.057 0.219 106 A C 2.220 179.812 177.584 0.013 0.000 1.182 106 A CA 3.165 55.217 52.037 0.026 0.000 0.633 106 A CB -0.776 18.232 19.000 0.014 0.000 0.819 106 A HN 0.702 8.762 8.150 0.045 0.118 0.448 107 D N -2.902 117.504 120.400 0.010 0.000 2.144 107 D HA -0.241 4.398 4.640 -0.002 0.000 0.200 107 D C 2.110 178.411 176.300 0.003 0.000 0.978 107 D CA 3.401 57.402 54.000 0.003 0.000 0.833 107 D CB 0.011 40.813 40.800 0.003 0.000 0.961 107 D HN -0.380 7.994 8.370 0.013 0.004 0.470 108 Q N -1.461 118.343 119.800 0.007 0.000 2.084 108 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 108 Q C 1.663 177.666 176.000 0.006 0.000 0.978 108 Q CA 2.447 58.254 55.803 0.005 0.000 0.844 108 Q CB 0.531 29.273 28.738 0.007 0.000 0.898 108 Q HN -0.521 7.667 8.270 0.011 0.088 0.426 109 V N -3.869 116.052 119.914 0.013 0.000 3.471 109 V HA -0.008 4.116 4.120 0.008 0.000 0.258 109 V C -0.590 175.502 176.094 -0.005 0.000 1.192 109 V CA 0.492 62.799 62.300 0.011 0.000 1.116 109 V CB 0.933 32.777 31.823 0.036 0.000 0.792 109 V HN -0.430 7.772 8.190 0.018 0.000 0.459 110 A N -1.559 121.258 122.820 -0.006 0.000 3.115 110 A HA -0.284 4.026 4.320 -0.016 0.000 0.255 110 A C -1.385 176.182 177.584 -0.029 0.000 1.380 110 A CA 1.094 53.120 52.037 -0.019 0.000 0.806 110 A CB -1.959 17.025 19.000 -0.026 0.000 1.044 110 A HN 0.014 7.981 8.150 0.001 0.184 0.589 111 M N -4.766 114.827 119.600 -0.012 0.000 2.664 111 M HA 0.473 4.932 4.480 -0.035 0.000 0.279 111 M C -1.666 174.640 176.300 0.011 0.000 1.275 111 M CA -1.569 53.725 55.300 -0.009 0.000 0.829 111 M CB 2.914 35.514 32.600 0.001 0.000 1.727 111 M HN -0.197 8.095 8.290 0.003 0.000 0.459 112 S N -0.219 115.488 115.700 0.012 0.000 2.617 112 S HA 0.258 4.692 4.470 -0.060 0.000 0.259 112 S C -0.004 174.570 174.600 -0.044 0.000 1.301 112 S CA -0.877 57.298 58.200 -0.042 0.000 0.984 112 S CB 0.645 63.793 63.200 -0.087 0.000 0.954 112 S HN 0.135 8.461 8.310 0.027 0.000 0.572 113 P HA -0.029 4.343 4.420 -0.080 0.000 0.218 113 P C 0.897 177.925 177.300 -0.453 0.000 1.149 113 P CA 2.063 65.078 63.100 -0.142 0.000 0.817 113 P CB -0.037 31.656 31.700 -0.012 0.000 0.785 114 F N -2.498 117.175 119.950 -0.461 0.000 2.186 114 F HA -0.057 4.036 4.527 -0.723 0.000 0.299 114 F C 2.311 177.918 175.800 -0.322 0.000 1.090 114 F CA 0.277 58.011 58.000 -0.444 0.000 1.307 114 F CB -1.435 37.509 39.000 -0.092 0.000 1.019 114 F HN -0.727 7.490 8.300 -0.111 0.016 0.489 115 H N 0.743 119.828 119.070 0.025 0.000 2.462 115 H HA -0.173 4.426 4.556 0.071 0.000 0.292 115 H C 2.411 177.763 175.328 0.039 0.000 1.049 115 H CA 3.770 59.841 56.048 0.038 0.000 1.334 115 H CB 0.842 30.620 29.762 0.028 0.000 1.404 115 H HN -0.701 7.583 8.280 0.146 0.084 0.544 116 L N 0.175 121.421 121.223 0.038 0.000 2.042 116 L HA -0.324 4.116 4.340 0.167 0.000 0.210 116 L C 1.253 178.277 176.870 0.255 0.000 1.076 116 L CA 2.832 57.749 54.840 0.129 0.000 0.749 116 L CB -1.176 40.950 42.059 0.111 0.000 0.893 116 L HN -0.302 7.792 8.230 -0.034 0.116 0.432 117 H N -0.812 118.365 119.070 0.178 0.000 2.319 117 H HA -0.461 4.262 4.556 0.279 0.000 0.299 117 H C 2.094 177.454 175.328 0.052 0.000 1.092 117 H CA 3.130 59.264 56.048 0.143 0.000 1.302 117 H CB -0.100 29.673 29.762 0.018 0.000 1.373 117 H HN -0.433 7.615 8.280 -0.262 0.075 0.497 118 R N -1.085 119.413 120.500 -0.003 0.000 2.117 118 R HA -0.324 3.944 4.340 -0.120 0.000 0.243 118 R C 2.306 178.585 176.300 -0.034 0.000 1.143 118 R CA 2.239 58.229 56.100 -0.184 0.000 0.968 118 R CB -0.938 28.915 30.300 -0.746 0.000 0.863 118 R HN -0.296 7.857 8.270 -0.073 0.073 0.444 119 L N -0.211 121.050 121.223 0.063 0.000 2.027 119 L HA -0.337 4.082 4.340 0.132 0.000 0.206 119 L C 1.332 178.324 176.870 0.204 0.000 1.074 119 L CA 3.270 58.197 54.840 0.146 0.000 0.745 119 L CB -0.326 41.833 42.059 0.166 0.000 0.898 119 L HN 0.191 8.332 8.230 0.053 0.121 0.433 120 F N -0.334 119.677 119.950 0.100 0.000 2.115 120 F HA -0.498 4.134 4.527 0.174 0.000 0.300 120 F C 1.632 177.473 175.800 0.067 0.000 1.092 120 F CA 2.971 61.055 58.000 0.140 0.000 1.245 120 F CB -0.336 38.773 39.000 0.182 0.000 0.995 120 F HN 0.361 8.835 8.300 0.400 0.066 0.481 121 K N -0.976 119.554 120.400 0.216 0.000 2.062 121 K HA -0.342 3.966 4.320 -0.122 -0.060 0.205 121 K C 2.229 178.836 176.600 0.011 0.000 1.051 121 K CA 2.642 58.924 56.287 -0.007 0.000 0.941 121 K CB -0.090 32.363 32.500 -0.078 0.000 0.719 121 K HN -0.256 8.020 8.250 0.207 0.098 0.440 122 A N -0.524 122.326 122.820 0.050 0.000 1.851 122 A HA -0.284 4.047 4.320 0.019 0.000 0.216 122 A C 2.260 179.879 177.584 0.058 0.000 1.195 122 A CA 3.201 55.265 52.037 0.045 0.000 0.622 122 A CB -0.735 18.306 19.000 0.069 0.000 0.831 122 A HN 0.101 8.218 8.150 0.070 0.075 0.444 123 T N -1.168 113.442 114.554 0.093 0.000 2.639 123 T HA -0.285 4.110 4.350 0.074 0.000 0.261 123 T C 1.924 176.697 174.700 0.122 0.000 1.053 123 T CA 2.939 65.097 62.100 0.097 0.000 1.158 123 T CB -0.379 68.549 68.868 0.099 0.000 0.863 123 T HN 0.206 8.514 8.240 0.113 0.000 0.413 124 T N -0.541 114.128 114.554 0.193 0.000 2.760 124 T HA -0.320 4.206 4.350 0.293 0.000 0.269 124 T C 1.186 175.922 174.700 0.061 0.000 1.047 124 T CA 3.059 65.295 62.100 0.225 0.000 1.139 124 T CB 0.237 69.309 68.868 0.341 0.000 0.855 124 T HN -0.263 8.125 8.240 0.246 0.000 0.471 125 G N -0.932 107.863 108.800 -0.008 0.000 2.424 125 G HA2 -0.199 3.804 3.960 -0.024 0.000 0.207 125 G HA3 -0.199 3.737 3.960 -0.041 0.000 0.207 125 G C -1.652 173.161 174.900 -0.145 0.000 1.061 125 G CA 0.309 45.376 45.100 -0.055 0.000 0.657 125 G HN 0.252 8.341 8.290 0.019 0.213 0.508 126 M N -0.252 119.171 119.600 -0.295 0.000 5.002 126 M HA 0.140 4.482 4.480 -0.229 0.000 0.592 126 M C -2.579 173.402 176.300 -0.532 0.000 2.251 126 M CA 0.509 55.610 55.300 -0.331 0.000 0.437 126 M CB 1.472 33.908 32.600 -0.274 0.000 1.452 126 M HN -0.164 7.886 8.290 -0.400 0.000 0.641 127 T N 0.485 114.685 114.554 -0.590 0.000 3.888 127 T HA 0.183 4.260 4.350 -0.455 0.000 0.274 127 T C -2.011 172.439 174.700 -0.416 0.000 0.639 127 T CA -1.721 59.994 62.100 -0.640 0.000 1.047 127 T CB 1.054 69.113 68.868 -1.349 0.000 1.111 127 T HN -0.326 7.644 8.240 -0.449 0.000 0.497 128 P HA 0.069 4.659 4.420 -0.015 -0.178 0.208 128 P C 1.076 178.207 177.300 -0.282 0.000 1.100 128 P CA 1.034 64.053 63.100 -0.136 0.000 0.673 128 P CB 0.779 32.444 31.700 -0.057 0.000 0.690 129 K N -1.366 118.892 120.400 -0.236 0.000 2.280 129 K HA -0.344 3.607 4.320 -0.615 0.000 0.202 129 K C 2.160 178.519 176.600 -0.401 0.000 1.047 129 K CA 2.119 58.126 56.287 -0.467 0.000 0.942 129 K CB -1.360 30.828 32.500 -0.521 0.000 0.739 129 K HN 0.393 8.572 8.250 -0.118 0.000 0.457 130 A N -1.105 121.531 122.820 -0.307 0.000 1.930 130 A HA -0.091 4.090 4.320 -0.232 0.000 0.217 130 A C 1.580 179.006 177.584 -0.264 0.000 1.175 130 A CA 2.577 54.467 52.037 -0.244 0.000 0.627 130 A CB -1.069 17.818 19.000 -0.189 0.000 0.815 130 A HN 0.297 8.241 8.150 -0.275 0.041 0.443 131 W N -1.134 119.708 121.300 -0.762 0.000 2.363 131 W HA -0.467 3.411 4.660 -1.303 0.000 0.296 131 W C 1.591 177.375 176.519 -1.225 0.000 1.212 131 W CA 2.494 59.133 57.345 -1.176 0.000 1.260 131 W CB 0.335 29.140 29.460 -1.092 0.000 1.131 131 W HN -0.332 7.490 8.180 -0.285 0.187 0.530 132 Q N -0.571 118.757 119.800 -0.786 0.000 2.050 132 Q HA -0.496 3.732 4.340 -0.187 0.000 0.202 132 Q C 2.096 177.949 176.000 -0.246 0.000 0.980 132 Q CA 3.248 58.803 55.803 -0.414 0.000 0.840 132 Q CB -0.891 27.630 28.738 -0.362 0.000 0.898 132 Q HN -0.528 7.169 8.270 -0.800 0.092 0.424 133 Q N 0.240 119.870 119.800 -0.284 0.000 2.020 133 Q HA -0.360 3.905 4.340 -0.125 0.000 0.202 133 Q C 2.147 178.037 176.000 -0.184 0.000 0.982 133 Q CA 3.171 58.862 55.803 -0.187 0.000 0.838 133 Q CB 0.032 28.658 28.738 -0.187 0.000 0.899 133 Q HN -0.231 7.764 8.270 -0.343 0.069 0.423 134 A N -0.463 122.167 122.820 -0.318 0.000 1.851 134 A HA -0.318 3.889 4.320 -0.188 0.000 0.216 134 A C 1.727 179.252 177.584 -0.098 0.000 1.195 134 A CA 3.134 54.981 52.037 -0.318 0.000 0.622 134 A CB -1.157 17.442 19.000 -0.669 0.000 0.831 134 A HN 0.142 8.056 8.150 -0.393 0.000 0.444 135 W N -2.557 118.570 121.300 -0.289 0.000 2.304 135 W HA -0.549 3.952 4.660 -0.265 0.000 0.315 135 W C 2.190 178.626 176.519 -0.139 0.000 1.233 135 W CA 1.719 58.923 57.345 -0.235 0.000 1.261 135 W CB -0.116 29.221 29.460 -0.204 0.000 1.150 135 W HN -0.363 7.385 8.180 -0.721 0.000 0.494 136 R N -2.563 118.031 120.500 0.156 0.000 2.120 136 R HA -0.397 3.985 4.340 0.070 0.000 0.234 136 R C 0.672 176.991 176.300 0.031 0.000 1.123 136 R CA 2.673 58.813 56.100 0.067 0.000 0.975 136 R CB -0.411 29.909 30.300 0.033 0.000 0.866 136 R HN -0.329 8.019 8.270 0.129 -0.001 0.446 137 A N -3.155 119.675 122.820 0.015 0.000 2.014 137 A HA -0.130 4.187 4.320 -0.006 0.000 0.218 137 A C 1.161 178.751 177.584 0.011 0.000 1.163 137 A CA 1.977 54.014 52.037 -0.001 0.000 0.652 137 A CB 0.147 19.132 19.000 -0.025 0.000 0.808 137 A HN -0.192 7.823 8.150 0.006 0.139 0.449 138 R N -3.163 117.358 120.500 0.036 0.000 2.282 138 R HA -0.002 4.344 4.340 0.009 0.000 0.195 138 R C 0.638 176.938 176.300 0.000 0.000 0.909 138 R CA 0.211 56.325 56.100 0.023 0.000 1.039 138 R CB 1.459 31.791 30.300 0.053 0.000 1.015 138 R HN -0.343 7.834 8.270 0.068 0.133 0.513 139 R N 0.000 120.504 120.500 0.007 0.000 2.786 139 R HA 0.000 4.313 4.340 -0.045 0.000 0.208 139 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 139 R CB 0.000 30.286 30.300 -0.024 0.000 0.687 139 R HN 0.000 8.097 8.270 0.035 0.195 0.535