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 1c1v_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXXXXXXG QPSVLQVVNL DATA SEQUENCE PIVERPVcKD STRIRITDNM FcAGYKKRGD AcEGDSGGPF VMKSNNRWYQ DATA SEQUENCE MGIVSWGEXG cRDGKYGFYT HVFRLKKWIQ KVIDQFGE 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 16 I HA 0.000 4.209 4.170 0.064 0.000 0.288 16 I C 0.000 176.147 176.117 0.050 0.000 1.063 16 I CA 0.000 61.330 61.300 0.051 0.000 1.566 16 I CB 0.000 38.018 38.000 0.030 0.000 1.214 17 V N 6.574 126.522 119.914 0.056 0.000 2.481 17 V HA 0.247 4.579 4.120 0.042 -0.187 0.286 17 V C 0.544 176.669 176.094 0.051 0.000 1.042 17 V CA -1.323 61.006 62.300 0.048 0.000 0.928 17 V CB 1.286 33.137 31.823 0.047 0.000 0.986 17 V HN 0.663 8.893 8.190 0.066 0.000 0.462 18 E N 2.817 123.041 120.200 0.040 0.000 2.297 18 E HA -0.439 3.927 4.350 0.025 0.000 0.228 18 E C -1.068 175.558 176.600 0.043 0.000 1.213 18 E CA 1.235 57.656 56.400 0.035 0.000 0.712 18 E CB -2.547 27.172 29.700 0.032 0.000 1.202 18 E HN 0.923 9.303 8.360 0.034 0.000 0.376 19 G N -4.032 104.791 108.800 0.039 0.000 2.537 19 G HA2 0.379 4.329 3.960 0.046 0.000 0.308 19 G HA3 0.379 4.476 3.960 0.037 -0.114 0.308 19 G C -1.885 173.027 174.900 0.021 0.000 1.237 19 G CA -0.994 44.128 45.100 0.037 0.000 0.968 19 G HN -0.561 7.740 8.290 0.034 0.010 0.481 20 S N -0.481 115.228 115.700 0.015 0.000 2.739 20 S HA 0.261 4.738 4.470 0.011 0.000 0.306 20 S C -0.924 173.676 174.600 -0.001 0.000 1.115 20 S CA -1.471 56.734 58.200 0.010 0.000 0.985 20 S CB 2.674 65.882 63.200 0.013 0.000 1.133 20 S HN -0.372 7.949 8.310 0.017 0.000 0.541 21 D N 0.653 121.056 120.400 0.005 0.000 2.400 21 D HA -0.102 4.849 4.640 -0.022 -0.324 0.238 21 D C 0.092 176.404 176.300 0.019 0.000 1.157 21 D CA 0.771 54.775 54.000 0.005 0.000 0.889 21 D CB 0.421 41.239 40.800 0.030 0.000 1.199 21 D HN 0.119 8.496 8.370 0.012 0.000 0.436 22 A N 2.497 125.337 122.820 0.034 0.000 2.257 22 A HA 0.099 4.418 4.320 -0.003 0.000 0.290 22 A C -0.850 176.803 177.584 0.116 0.000 1.201 22 A CA -0.923 51.139 52.037 0.043 0.000 0.863 22 A CB 2.172 21.177 19.000 0.008 0.000 1.256 22 A HN 0.340 8.497 8.150 0.011 0.000 0.506 23 E N -2.318 117.897 120.200 0.025 0.000 2.281 23 E HA 0.215 4.548 4.350 -0.029 0.000 0.257 23 E C -0.929 175.588 176.600 -0.139 0.000 0.971 23 E CA -2.086 54.288 56.400 -0.044 0.000 0.839 23 E CB 1.837 31.502 29.700 -0.060 0.000 1.238 23 E HN 0.142 8.487 8.360 -0.024 0.000 0.412 24 I N 0.415 120.860 120.570 -0.210 0.000 2.441 24 I HA -0.237 3.733 4.170 -0.334 0.000 0.287 24 I C 1.640 177.700 176.117 -0.095 0.000 1.049 24 I CA 0.874 62.041 61.300 -0.221 0.000 1.381 24 I CB -1.270 36.616 38.000 -0.191 0.000 1.409 24 I HN 0.361 8.472 8.210 -0.165 0.000 0.523 25 G N 7.102 115.870 108.800 -0.055 0.000 2.162 25 G HA2 -0.416 3.490 3.960 -0.089 0.000 0.260 25 G HA3 -0.416 3.468 3.960 -0.126 0.000 0.260 25 G C -0.042 174.703 174.900 -0.258 0.000 0.976 25 G CA 0.345 45.372 45.100 -0.121 0.000 0.655 25 G HN 0.401 8.677 8.290 -0.024 0.000 0.533 26 M N -0.198 119.251 119.600 -0.252 0.000 2.132 26 M HA -0.170 4.124 4.480 -0.310 0.000 0.263 26 M C -0.240 175.710 176.300 -0.585 0.000 1.065 26 M CA 2.742 57.841 55.300 -0.335 0.000 1.122 26 M CB 0.786 33.250 32.600 -0.226 0.000 1.365 26 M HN -0.714 7.397 8.290 -0.184 0.069 0.411 27 S N -3.738 111.593 115.700 -0.615 0.000 2.139 27 S HA 0.486 4.037 4.470 -1.531 0.000 0.183 27 S C -1.688 172.237 174.600 -1.125 0.000 1.473 27 S CA -2.154 55.431 58.200 -1.024 0.000 1.263 27 S CB 0.385 63.264 63.200 -0.536 0.000 1.170 27 S HN 0.002 8.061 8.310 -0.418 0.000 0.430 28 P HA 0.046 4.401 4.420 -0.289 -0.108 0.223 28 P C 0.292 177.414 177.300 -0.298 0.000 1.144 28 P CA 1.767 64.543 63.100 -0.541 0.000 0.783 28 P CB -0.035 31.447 31.700 -0.363 0.000 0.771 29 W N -6.144 115.158 121.300 0.003 0.000 2.863 29 W HA 0.205 4.976 4.660 0.051 -0.081 0.258 29 W C -0.323 176.232 176.519 0.059 0.000 1.298 29 W CA -2.579 54.784 57.345 0.031 0.000 1.451 29 W CB -1.159 28.307 29.460 0.010 0.000 1.107 29 W HN -0.548 6.439 8.180 -1.864 0.075 0.641 30 Q N 2.677 122.505 119.800 0.046 0.000 2.263 30 Q HA -0.068 4.522 4.340 0.221 -0.118 0.289 30 Q C -0.907 175.215 176.000 0.204 0.000 1.061 30 Q CA 0.830 56.702 55.803 0.115 0.000 0.927 30 Q CB -0.258 28.416 28.738 -0.106 0.000 1.154 30 Q HN -0.323 7.565 8.270 -0.363 0.164 0.378 31 V N 5.174 125.244 119.914 0.261 0.000 3.019 31 V HA 0.356 4.737 4.120 0.277 -0.095 0.317 31 V C -1.051 175.281 176.094 0.397 0.000 1.094 31 V CA -1.810 60.663 62.300 0.289 0.000 1.000 31 V CB 3.537 35.499 31.823 0.231 0.000 1.060 31 V HN 0.667 8.915 8.190 0.245 0.089 0.443 32 M N 2.589 122.381 119.600 0.320 0.000 2.393 32 M HA 0.445 5.186 4.480 0.434 0.000 0.316 32 M C -2.176 174.240 176.300 0.192 0.000 1.087 32 M CA -1.144 54.328 55.300 0.287 0.000 0.937 32 M CB 3.994 36.562 32.600 -0.054 0.000 1.668 32 M HN 0.288 8.710 8.290 0.221 0.000 0.438 33 L N 4.910 126.255 121.223 0.203 0.000 2.287 33 L HA 0.647 5.242 4.340 0.167 -0.155 0.287 33 L C -1.864 175.143 176.870 0.228 0.000 1.022 33 L CA -1.109 53.837 54.840 0.176 0.000 0.814 33 L CB 1.435 43.571 42.059 0.130 0.000 1.217 33 L HN 0.392 8.755 8.230 0.223 0.000 0.420 34 F N 4.853 124.810 119.950 0.012 0.000 2.492 34 F HA 0.638 5.282 4.527 -0.013 -0.125 0.327 34 F C -1.871 173.925 175.800 -0.007 0.000 1.079 34 F CA -1.935 56.060 58.000 -0.009 0.000 0.967 34 F CB 4.395 43.381 39.000 -0.023 0.000 1.169 34 F HN 1.034 9.391 8.300 0.277 0.108 0.472 35 R N 2.580 122.808 120.500 -0.454 0.000 2.751 35 R HA 0.631 5.040 4.340 -0.146 -0.156 0.217 35 R C 0.017 176.082 176.300 -0.391 0.000 1.436 35 R CA -2.553 53.362 56.100 -0.309 0.000 1.006 35 R CB 3.114 33.251 30.300 -0.272 0.000 2.065 35 R HN 0.153 7.896 8.270 -0.878 0.000 0.525 36 S N 0.066 115.691 115.700 -0.126 0.000 2.533 36 S HA 0.116 4.575 4.470 -0.120 -0.060 0.282 36 S C -0.960 173.574 174.600 -0.109 0.000 1.304 36 S CA -0.953 57.182 58.200 -0.108 0.000 1.063 36 S CB 0.101 63.261 63.200 -0.067 0.000 0.881 36 S HN -0.339 7.905 8.310 -0.110 0.000 0.493 37 P HA -0.081 4.279 4.420 -0.099 0.000 0.269 37 P C -1.696 175.469 177.300 -0.225 0.000 1.211 37 P CA -0.158 62.867 63.100 -0.126 0.000 0.781 37 P CB 0.526 32.169 31.700 -0.096 0.000 0.877 38 Q N 0.851 120.511 119.800 -0.234 0.000 2.423 38 Q HA 0.200 4.440 4.340 -0.769 -0.362 0.235 38 Q C -0.516 175.194 176.000 -0.484 0.000 1.100 38 Q CA -0.440 55.071 55.803 -0.486 0.000 0.908 38 Q CB 0.424 29.079 28.738 -0.138 0.000 1.312 38 Q HN 0.292 8.477 8.270 -0.141 0.000 0.497 39 E N 2.144 121.955 120.200 -0.649 0.000 2.367 39 E HA 0.255 4.520 4.350 -0.140 0.000 0.273 39 E C -1.871 174.583 176.600 -0.244 0.000 0.903 39 E CA -2.278 53.941 56.400 -0.302 0.000 0.764 39 E CB 2.793 32.397 29.700 -0.160 0.000 1.252 39 E HN -0.205 7.677 8.360 -0.797 0.000 0.446 40 L N 0.782 122.018 121.223 0.021 0.000 2.416 40 L HA -0.066 4.421 4.340 0.246 0.000 0.272 40 L C -1.249 175.657 176.870 0.060 0.000 1.161 40 L CA 1.071 55.990 54.840 0.130 0.000 0.845 40 L CB 0.588 42.731 42.059 0.141 0.000 1.119 40 L HN 0.152 8.409 8.230 0.045 0.000 0.464 41 L N 7.142 128.412 121.223 0.079 0.000 2.541 41 L HA 0.091 4.447 4.340 0.026 0.000 0.187 41 L C -0.653 176.262 176.870 0.075 0.000 1.098 41 L CA 0.817 55.686 54.840 0.048 0.000 0.846 41 L CB 2.784 44.856 42.059 0.023 0.000 1.151 41 L HN 0.381 8.689 8.230 0.129 0.000 0.492 42 c N -6.153 112.512 118.600 0.108 0.000 3.276 42 c HA 0.172 4.811 4.570 0.116 0.000 0.370 42 c C -1.915 172.285 174.090 0.184 0.000 1.624 42 c CA -0.779 55.620 56.329 0.115 0.000 1.179 42 c CB 3.941 46.481 42.510 0.050 0.000 1.909 42 c HN -0.802 7.505 8.230 0.128 0.000 0.434 43 G N -2.073 106.834 108.800 0.178 0.000 2.600 43 G HA2 0.826 5.083 3.960 0.305 0.000 0.303 43 G HA3 0.826 4.910 3.960 0.208 0.000 0.303 43 G C -3.158 171.857 174.900 0.191 0.000 1.253 43 G CA -1.414 43.822 45.100 0.227 0.000 0.974 43 G HN 0.321 8.692 8.290 0.135 0.000 0.483 44 A N -3.002 119.944 122.820 0.210 0.000 2.493 44 A HA 0.985 5.704 4.320 0.188 -0.286 0.300 44 A C -2.418 175.301 177.584 0.225 0.000 1.152 44 A CA -0.588 51.570 52.037 0.201 0.000 0.643 44 A CB 2.832 21.946 19.000 0.190 0.000 1.316 44 A HN -0.288 8.002 8.150 0.234 0.000 0.469 45 S N -2.833 113.004 115.700 0.229 0.000 2.595 45 S HA 0.947 5.822 4.470 0.294 -0.228 0.281 45 S C -1.103 173.645 174.600 0.246 0.000 1.117 45 S CA -1.820 56.536 58.200 0.260 0.000 0.873 45 S CB 3.834 67.177 63.200 0.239 0.000 1.108 45 S HN 0.204 8.645 8.310 0.218 0.000 0.477 46 L N 2.372 123.755 121.223 0.266 0.000 2.275 46 L HA 0.417 5.020 4.340 0.240 -0.119 0.288 46 L C -0.500 176.498 176.870 0.213 0.000 1.046 46 L CA -0.509 54.477 54.840 0.244 0.000 0.805 46 L CB 1.999 44.208 42.059 0.249 0.000 1.193 46 L HN 0.090 8.513 8.230 0.322 0.000 0.426 47 I N -1.617 119.083 120.570 0.215 0.000 4.139 47 I HA 0.494 4.730 4.170 0.111 0.000 0.320 47 I C -0.821 175.401 176.117 0.174 0.000 1.290 47 I CA -0.467 60.930 61.300 0.162 0.000 1.253 47 I CB 1.918 40.011 38.000 0.155 0.000 1.122 47 I HN 0.469 8.834 8.210 0.257 0.000 0.421 48 S N -1.294 114.559 115.700 0.256 0.000 2.705 48 S HA 0.202 4.829 4.470 0.261 0.000 0.280 48 S C -1.347 173.467 174.600 0.357 0.000 1.174 48 S CA -1.032 57.345 58.200 0.295 0.000 0.823 48 S CB 2.762 66.154 63.200 0.321 0.000 1.162 48 S HN -0.838 7.647 8.310 0.291 0.000 0.487 49 D N -4.374 116.245 120.400 0.365 0.000 2.348 49 D HA -0.109 4.756 4.640 0.376 0.000 0.216 49 D C 0.450 176.816 176.300 0.109 0.000 0.970 49 D CA 2.024 56.162 54.000 0.230 0.000 0.889 49 D CB -0.194 40.575 40.800 -0.052 0.000 0.912 49 D HN 0.377 8.954 8.370 0.345 0.000 0.524 50 R N -2.774 117.788 120.500 0.104 0.000 2.419 50 R HA 0.269 4.545 4.340 -0.106 0.000 0.235 50 R C -1.504 174.639 176.300 -0.262 0.000 0.899 50 R CA 0.125 56.153 56.100 -0.119 0.000 1.048 50 R CB 1.997 32.127 30.300 -0.285 0.000 1.182 50 R HN -0.777 7.574 8.270 0.215 0.048 0.544 51 W N -1.680 119.682 121.300 0.104 0.000 2.529 51 W HA 0.652 5.585 4.660 0.104 -0.210 0.321 51 W C -1.117 175.475 176.519 0.121 0.000 1.047 51 W CA -0.634 56.773 57.345 0.103 0.000 1.216 51 W CB 2.086 31.590 29.460 0.073 0.000 1.357 51 W HN -0.498 7.891 8.180 0.348 0.000 0.489 52 V N 2.233 122.347 119.914 0.333 0.000 2.667 52 V HA 0.797 5.233 4.120 0.259 -0.162 0.308 52 V C -1.975 174.295 176.094 0.293 0.000 1.048 52 V CA -1.401 61.058 62.300 0.266 0.000 0.928 52 V CB 3.075 35.017 31.823 0.199 0.000 1.004 52 V HN 0.883 9.269 8.190 0.327 0.000 0.444 53 L N 5.148 126.524 121.223 0.253 0.000 2.362 53 L HA 0.855 5.507 4.340 0.273 -0.148 0.275 53 L C -1.704 175.293 176.870 0.211 0.000 0.998 53 L CA -1.310 53.677 54.840 0.245 0.000 0.820 53 L CB 3.596 45.791 42.059 0.227 0.000 1.270 53 L HN 0.759 9.131 8.230 0.237 0.000 0.415 54 T N 5.265 119.935 114.554 0.194 0.000 2.618 54 T HA 0.483 5.105 4.350 0.154 -0.180 0.286 54 T C -2.177 172.592 174.700 0.115 0.000 1.027 54 T CA -3.003 59.185 62.100 0.145 0.000 1.063 54 T CB 2.656 71.597 68.868 0.122 0.000 1.440 54 T HN 0.145 8.513 8.240 0.213 0.000 0.505 55 A N -0.147 122.706 122.820 0.055 0.000 2.292 55 A HA 0.449 4.975 4.320 0.072 -0.163 0.319 55 A C 0.743 178.278 177.584 -0.081 0.000 1.206 55 A CA -1.853 50.200 52.037 0.028 0.000 0.835 55 A CB 1.144 20.169 19.000 0.041 0.000 1.164 55 A HN 0.284 8.453 8.150 0.032 0.000 0.505 56 A N 6.007 128.740 122.820 -0.144 0.000 1.986 56 A HA -0.342 3.864 4.320 -0.189 0.000 0.220 56 A C 0.853 178.266 177.584 -0.284 0.000 1.171 56 A CA 3.030 54.862 52.037 -0.341 0.000 0.640 56 A CB -0.383 18.079 19.000 -0.898 0.000 0.811 56 A HN 0.663 8.735 8.150 -0.112 0.011 0.451 57 H N -5.306 113.661 119.070 -0.172 0.000 2.563 57 H HA -0.040 4.836 4.556 0.163 -0.223 0.272 57 H C 1.492 176.854 175.328 0.058 0.000 1.005 57 H CA 1.182 57.278 56.048 0.080 0.000 1.171 57 H CB -1.901 27.994 29.762 0.222 0.000 1.351 57 H HN -0.165 8.461 8.280 0.102 -0.285 0.602 58 c N -2.000 116.392 118.600 -0.346 0.000 2.446 58 c HA -0.100 4.325 4.570 -0.242 0.000 0.279 58 c C 0.026 174.070 174.090 -0.076 0.000 1.366 58 c CA 2.438 58.628 56.329 -0.232 0.000 1.763 58 c CB -1.351 41.053 42.510 -0.176 0.000 1.929 58 c HN -0.322 7.520 8.230 -0.348 0.179 0.509 59 L N -3.114 118.075 121.223 -0.056 0.000 2.376 59 L HA 0.268 4.598 4.340 -0.018 0.000 0.267 59 L C -0.011 176.856 176.870 -0.005 0.000 1.035 59 L CA -0.454 54.374 54.840 -0.021 0.000 0.800 59 L CB 1.542 43.594 42.059 -0.011 0.000 1.290 59 L HN -0.492 7.530 8.230 -0.086 0.157 0.462 60 T N 0.042 114.580 114.554 -0.027 0.000 2.949 60 T HA 0.307 4.637 4.350 -0.034 0.000 0.287 60 T C 0.734 175.417 174.700 -0.029 0.000 1.034 60 T CA -1.770 60.311 62.100 -0.032 0.000 1.018 60 T CB 1.668 70.515 68.868 -0.034 0.000 1.135 60 T HN 0.353 8.881 8.240 -0.027 -0.305 0.532 61 E N 4.873 125.051 120.200 -0.037 0.000 2.119 61 E HA -0.532 3.803 4.350 -0.026 0.000 0.221 61 E C 1.915 178.502 176.600 -0.021 0.000 1.062 61 E CA 3.594 59.975 56.400 -0.032 0.000 0.894 61 E CB -0.787 28.886 29.700 -0.046 0.000 0.785 61 E HN 0.665 8.996 8.360 -0.049 0.000 0.472 62 N N -2.651 116.034 118.700 -0.025 0.000 2.503 62 N HA -0.271 4.458 4.740 -0.018 0.000 0.189 62 N C -0.031 175.467 175.510 -0.020 0.000 1.048 62 N CA 2.356 55.393 53.050 -0.021 0.000 0.905 62 N CB -0.685 37.788 38.487 -0.024 0.000 0.951 62 N HN 0.200 8.562 8.380 -0.031 0.000 0.446 63 D N -2.769 117.618 120.400 -0.022 0.000 2.379 63 D HA 0.093 4.713 4.640 -0.032 0.000 0.208 63 D C -0.927 175.359 176.300 -0.024 0.000 1.065 63 D CA 0.836 54.819 54.000 -0.028 0.000 0.848 63 D CB 0.887 41.667 40.800 -0.034 0.000 0.949 63 D HN 0.004 8.175 8.370 -0.021 0.186 0.509 64 L N -2.053 119.168 121.223 -0.003 0.000 2.286 64 L HA 0.890 5.423 4.340 0.014 -0.184 0.265 64 L C -1.182 175.721 176.870 0.055 0.000 1.012 64 L CA -1.340 53.514 54.840 0.024 0.000 0.818 64 L CB 3.746 45.824 42.059 0.032 0.000 1.337 64 L HN -0.428 7.644 8.230 -0.004 0.156 0.438 65 L N -2.748 118.540 121.223 0.107 0.000 2.434 65 L HA 0.536 5.037 4.340 0.083 -0.111 0.260 65 L C -1.876 175.074 176.870 0.133 0.000 0.983 65 L CA -1.242 53.675 54.840 0.128 0.000 0.820 65 L CB 5.164 47.345 42.059 0.204 0.000 1.361 65 L HN 0.407 8.713 8.230 0.126 0.000 0.410 66 V N 2.814 122.784 119.914 0.094 0.000 2.357 66 V HA 0.433 4.775 4.120 0.117 -0.152 0.284 66 V C -1.479 174.653 176.094 0.064 0.000 1.018 66 V CA -0.862 61.494 62.300 0.094 0.000 0.841 66 V CB 1.593 33.469 31.823 0.087 0.000 0.991 66 V HN 0.380 8.614 8.190 0.074 0.000 0.437 67 R N 7.477 128.002 120.500 0.041 0.000 2.295 67 R HA 0.741 5.274 4.340 -0.005 -0.195 0.324 67 R C -0.777 175.549 176.300 0.043 0.000 0.968 67 R CA -1.410 54.680 56.100 -0.017 0.000 0.837 67 R CB 1.615 31.818 30.300 -0.162 0.000 1.133 67 R HN 0.811 9.013 8.270 0.064 0.106 0.450 68 I N 1.185 121.790 120.570 0.058 0.000 2.603 68 I HA 0.223 4.483 4.170 0.149 0.000 0.300 68 I C 0.119 176.285 176.117 0.083 0.000 1.017 68 I CA -1.707 59.657 61.300 0.107 0.000 1.098 68 I CB 2.721 40.797 38.000 0.126 0.000 1.279 68 I HN 0.617 8.851 8.210 0.040 0.000 0.437 69 G N 2.884 111.752 108.800 0.112 0.000 2.157 69 G HA2 -0.440 3.773 3.960 0.124 0.000 0.248 69 G HA3 -0.440 3.558 3.960 0.063 0.000 0.248 69 G C -1.141 173.777 174.900 0.030 0.000 0.979 69 G CA 0.066 45.215 45.100 0.082 0.000 0.650 69 G HN 0.560 8.936 8.290 0.143 0.000 0.529 70 K N -1.500 118.958 120.400 0.096 0.000 2.107 70 K HA -0.022 4.367 4.320 -0.031 -0.087 0.251 70 K C -1.697 175.097 176.600 0.322 0.000 1.012 70 K CA 0.538 56.879 56.287 0.090 0.000 0.920 70 K CB 0.939 33.383 32.500 -0.094 0.000 1.033 70 K HN -0.459 7.827 8.250 0.147 0.052 0.478 71 H N -0.295 118.869 119.070 0.156 0.000 1.775 71 H HA 0.207 4.938 4.556 0.292 0.000 0.164 71 H C 0.139 175.634 175.328 0.278 0.000 0.968 71 H CA 0.807 56.981 56.048 0.210 0.000 1.007 71 H CB 3.345 33.120 29.762 0.021 0.000 0.967 71 H HN 0.089 8.805 8.280 0.122 -0.363 0.327 72 S N -0.455 115.265 115.700 0.034 0.000 2.592 72 S HA 0.198 4.800 4.470 -0.080 -0.180 0.271 72 S C 0.744 175.194 174.600 -0.250 0.000 1.326 72 S CA -0.311 57.842 58.200 -0.078 0.000 1.024 72 S CB 1.153 64.315 63.200 -0.064 0.000 0.921 72 S HN -0.483 8.240 8.310 0.080 -0.365 0.527 73 R N 4.965 125.299 120.500 -0.277 0.000 2.052 73 R HA -0.069 3.552 4.340 -1.198 0.000 0.224 73 R C 1.180 177.264 176.300 -0.359 0.000 1.149 73 R CA 2.938 58.709 56.100 -0.548 0.000 0.962 73 R CB 0.211 30.381 30.300 -0.217 0.000 0.856 73 R HN 0.263 8.463 8.270 -0.118 0.000 0.433 74 T N -4.532 109.914 114.554 -0.180 0.000 3.129 74 T HA 0.028 4.323 4.350 -0.091 0.000 0.251 74 T C -0.259 174.386 174.700 -0.091 0.000 1.117 74 T CA 0.048 62.086 62.100 -0.103 0.000 1.034 74 T CB -0.119 68.725 68.868 -0.040 0.000 0.968 74 T HN -0.083 8.079 8.240 -0.130 0.000 0.526 75 R N -0.151 120.278 120.500 -0.117 0.000 2.664 75 R HA 0.244 4.565 4.340 -0.031 0.000 0.286 75 R C -1.330 174.922 176.300 -0.081 0.000 0.967 75 R CA -1.893 54.164 56.100 -0.071 0.000 0.933 75 R CB 1.414 31.677 30.300 -0.062 0.000 1.146 75 R HN -0.298 7.826 8.270 -0.158 0.051 0.468 76 Y N 4.133 124.350 120.300 -0.139 0.000 2.488 76 Y HA 0.003 4.434 4.550 -0.198 0.000 0.385 76 Y C 0.029 175.860 175.900 -0.115 0.000 1.371 76 Y CA -0.377 57.634 58.100 -0.149 0.000 1.712 76 Y CB 1.341 39.728 38.460 -0.120 0.000 1.715 76 Y HN 0.201 8.535 8.280 0.091 0.000 0.607 77 R N 0.755 120.892 120.500 -0.606 0.000 2.536 77 R HA 0.234 4.150 4.340 -0.706 0.000 0.269 77 R C -0.734 175.411 176.300 -0.258 0.000 1.113 77 R CA 0.671 56.505 56.100 -0.443 0.000 0.948 77 R CB 1.467 31.698 30.300 -0.115 0.000 1.237 77 R HN 0.271 8.273 8.270 -0.447 0.000 0.441 78 N N 1.414 120.002 118.700 -0.188 0.000 2.929 78 N HA -0.364 4.345 4.740 -0.052 0.000 0.234 78 N C -0.950 174.494 175.510 -0.109 0.000 0.908 78 N CA 1.692 54.684 53.050 -0.096 0.000 0.993 78 N CB -0.371 38.083 38.487 -0.056 0.000 1.075 78 N HN 0.616 8.885 8.380 -0.185 0.000 0.603 79 I N -3.359 117.090 120.570 -0.201 0.000 3.443 79 I HA -0.074 4.023 4.170 -0.123 0.000 0.277 79 I C -0.646 175.379 176.117 -0.153 0.000 1.169 79 I CA 0.269 61.440 61.300 -0.215 0.000 1.419 79 I CB 1.882 39.648 38.000 -0.389 0.000 1.331 79 I HN -0.253 7.590 8.210 -0.286 0.194 0.458 80 E N 1.091 121.166 120.200 -0.209 0.000 2.280 80 E HA 0.378 4.819 4.350 -0.057 -0.125 0.264 80 E C -0.860 175.701 176.600 -0.066 0.000 1.064 80 E CA -1.031 55.294 56.400 -0.125 0.000 0.900 80 E CB 2.102 31.697 29.700 -0.175 0.000 1.123 80 E HN -0.545 7.628 8.360 -0.312 0.000 0.418 81 K N -0.388 120.011 120.400 -0.002 0.000 2.371 81 K HA 0.387 4.730 4.320 0.040 0.000 0.251 81 K C -1.732 174.892 176.600 0.041 0.000 0.934 81 K CA -1.267 55.040 56.287 0.033 0.000 0.798 81 K CB 3.632 36.159 32.500 0.046 0.000 1.204 81 K HN 0.394 8.649 8.250 0.008 0.000 0.427 82 I N 3.635 124.237 120.570 0.054 0.000 2.389 82 I HA 0.799 5.202 4.170 0.034 -0.213 0.288 82 I C -0.122 176.017 176.117 0.035 0.000 0.999 82 I CA -0.922 60.405 61.300 0.044 0.000 1.129 82 I CB 1.597 39.631 38.000 0.057 0.000 1.288 82 I HN 0.380 8.628 8.210 0.064 0.000 0.444 83 S N 7.148 122.868 115.700 0.034 0.000 2.638 83 S HA 0.453 4.931 4.470 0.013 0.000 0.302 83 S C -1.609 173.003 174.600 0.020 0.000 1.096 83 S CA -1.176 57.036 58.200 0.021 0.000 0.953 83 S CB 2.684 65.893 63.200 0.016 0.000 1.107 83 S HN 0.299 8.634 8.310 0.042 0.000 0.503 84 M N -0.150 119.452 119.600 0.003 0.000 2.654 84 M HA 0.179 4.667 4.480 0.014 0.000 0.310 84 M C -0.909 175.381 176.300 -0.016 0.000 1.211 84 M CA -0.685 54.615 55.300 0.000 0.000 0.947 84 M CB 1.840 34.435 32.600 -0.008 0.000 1.647 84 M HN 0.102 8.388 8.290 -0.006 0.000 0.481 85 L N -1.418 119.794 121.223 -0.018 0.000 2.375 85 L HA 0.212 4.643 4.340 -0.050 -0.121 0.268 85 L C -0.879 175.956 176.870 -0.058 0.000 1.058 85 L CA -0.347 54.471 54.840 -0.038 0.000 0.803 85 L CB 1.094 43.140 42.059 -0.023 0.000 1.212 85 L HN 0.470 8.694 8.230 -0.010 0.000 0.451 86 E N -0.165 119.984 120.200 -0.085 0.000 2.279 86 E HA 0.012 4.321 4.350 -0.069 0.000 0.199 86 E C 0.022 176.559 176.600 -0.105 0.000 0.893 86 E CA 0.810 57.158 56.400 -0.087 0.000 0.978 86 E CB 2.357 31.996 29.700 -0.102 0.000 0.964 86 E HN 0.769 8.965 8.360 -0.102 0.102 0.486 87 K N -3.396 116.930 120.400 -0.123 0.000 2.512 87 K HA 0.322 4.703 4.320 -0.235 -0.201 0.263 87 K C -2.274 174.219 176.600 -0.179 0.000 0.966 87 K CA -2.172 53.978 56.287 -0.228 0.000 0.851 87 K CB 4.084 36.380 32.500 -0.341 0.000 1.395 87 K HN -0.631 7.550 8.250 -0.114 0.000 0.440 88 I N 0.645 121.036 120.570 -0.298 0.000 2.608 88 I HA 0.621 5.037 4.170 0.132 -0.166 0.295 88 I C -0.661 175.307 176.117 -0.248 0.000 1.049 88 I CA -1.648 59.609 61.300 -0.073 0.000 1.063 88 I CB 3.660 41.644 38.000 -0.026 0.000 1.248 88 I HN 0.163 8.190 8.210 -0.417 -0.067 0.424 89 Y N 5.106 125.504 120.300 0.163 0.000 2.406 89 Y HA 0.277 4.914 4.550 0.144 0.000 0.340 89 Y C -2.062 174.046 175.900 0.347 0.000 0.975 89 Y CA -0.794 57.435 58.100 0.215 0.000 1.056 89 Y CB 3.586 42.163 38.460 0.195 0.000 1.210 89 Y HN 0.636 9.192 8.280 0.461 0.000 0.448 90 I N 0.059 120.892 120.570 0.439 0.000 2.863 90 I HA 0.219 4.536 4.170 0.246 0.000 0.311 90 I C -0.962 175.290 176.117 0.225 0.000 1.026 90 I CA -1.677 59.789 61.300 0.277 0.000 1.077 90 I CB 2.536 40.638 38.000 0.170 0.000 1.262 90 I HN 0.028 8.466 8.210 0.380 0.000 0.461 91 H N 4.647 123.564 119.070 -0.254 0.000 2.722 91 H HA 0.170 4.080 4.556 -1.078 0.000 0.328 91 H C 0.117 175.376 175.328 -0.116 0.000 1.067 91 H CA -0.572 55.081 56.048 -0.659 0.000 1.447 91 H CB 1.895 31.152 29.762 -0.842 0.000 1.469 91 H HN -0.319 7.907 8.280 -0.089 0.000 0.544 92 P HA -0.204 4.339 4.420 0.205 0.000 0.221 92 P C 0.159 177.610 177.300 0.251 0.000 1.145 92 P CA 1.493 64.707 63.100 0.191 0.000 0.795 92 P CB 0.293 32.075 31.700 0.137 0.000 0.775 93 R N -3.358 117.385 120.500 0.406 0.000 2.696 93 R HA 0.212 4.607 4.340 0.092 0.000 0.355 93 R C -0.478 175.845 176.300 0.038 0.000 1.138 93 R CA -1.410 54.773 56.100 0.137 0.000 1.059 93 R CB -0.337 29.997 30.300 0.056 0.000 1.380 93 R HN -0.251 8.588 8.270 1.032 0.051 0.578 94 Y N 3.800 124.105 120.300 0.009 0.000 2.544 94 Y HA -0.093 4.658 4.550 -0.112 -0.268 0.330 94 Y C -0.871 175.028 175.900 -0.003 0.000 1.136 94 Y CA -0.980 57.115 58.100 -0.008 0.000 1.417 94 Y CB 0.345 38.868 38.460 0.105 0.000 1.229 94 Y HN -0.257 8.139 8.280 0.329 0.082 0.532 95 N N 7.908 126.498 118.700 -0.183 0.000 2.817 95 N HA 0.164 4.595 4.740 -0.515 0.000 0.234 95 N C -0.991 174.207 175.510 -0.519 0.000 1.066 95 N CA -1.969 50.835 53.050 -0.410 0.000 0.926 95 N CB -0.315 38.010 38.487 -0.269 0.000 1.176 95 N HN 0.550 8.942 8.380 0.020 0.000 0.506 96 W N 3.225 124.096 121.300 -0.715 0.000 2.564 96 W HA 0.138 4.513 4.660 -0.474 0.000 0.447 96 W C -0.624 175.706 176.519 -0.315 0.000 0.701 96 W CA -2.385 54.620 57.345 -0.566 0.000 2.223 96 W CB -2.151 26.928 29.460 -0.636 0.000 0.990 96 W HN 0.034 7.586 8.180 -1.047 0.000 0.698 97 E N 3.259 123.240 120.200 -0.365 0.000 2.160 97 E HA -0.530 3.666 4.350 -0.255 0.000 0.237 97 E C -0.356 176.058 176.600 -0.309 0.000 1.069 97 E CA 3.383 59.610 56.400 -0.288 0.000 0.950 97 E CB -0.026 29.517 29.700 -0.261 0.000 0.832 97 E HN -0.624 7.647 8.360 -0.421 -0.164 0.496 98 N N -4.381 114.128 118.700 -0.319 0.000 2.377 98 N HA -0.007 4.392 4.740 -0.569 0.000 0.259 98 N C -0.527 174.760 175.510 -0.372 0.000 1.332 98 N CA -0.886 51.908 53.050 -0.426 0.000 0.877 98 N CB 0.046 38.308 38.487 -0.376 0.000 1.299 98 N HN -0.317 7.893 8.380 -0.284 0.000 0.501 99 L N -3.631 117.452 121.223 -0.233 0.000 3.678 99 L HA -0.466 3.998 4.340 0.102 -0.063 0.425 99 L C -1.718 175.191 176.870 0.065 0.000 1.240 99 L CA 0.917 55.750 54.840 -0.012 0.000 0.876 99 L CB -2.458 39.581 42.059 -0.032 0.000 1.766 99 L HN 0.051 8.133 8.230 -0.246 0.000 0.917 100 D N -1.274 119.115 120.400 -0.018 0.000 2.351 100 D HA -0.096 4.566 4.640 0.037 0.000 0.251 100 D C 0.045 176.354 176.300 0.015 0.000 1.137 100 D CA 0.613 54.609 54.000 -0.007 0.000 0.879 100 D CB 1.239 41.994 40.800 -0.075 0.000 1.181 100 D HN -0.833 7.541 8.370 -0.101 -0.064 0.448 101 R N -1.272 119.220 120.500 -0.014 0.000 3.125 101 R HA -0.403 3.863 4.340 -0.123 0.000 0.258 101 R C -1.817 174.491 176.300 0.014 0.000 0.968 101 R CA 0.800 56.825 56.100 -0.125 0.000 0.656 101 R CB -1.399 28.633 30.300 -0.447 0.000 1.251 101 R HN 0.468 8.746 8.270 0.014 0.000 0.428 102 D N -0.922 119.528 120.400 0.082 0.000 2.563 102 D HA 0.098 4.742 4.640 0.006 0.000 0.222 102 D C -2.008 174.307 176.300 0.026 0.000 1.145 102 D CA -0.651 53.402 54.000 0.088 0.000 1.001 102 D CB -0.442 40.495 40.800 0.228 0.000 1.049 102 D HN 0.068 8.493 8.370 0.092 0.000 0.515 103 I N 1.853 122.391 120.570 -0.053 0.000 2.802 103 I HA 0.546 4.916 4.170 0.096 -0.142 0.298 103 I C -3.217 172.930 176.117 0.051 0.000 1.176 103 I CA -1.860 59.465 61.300 0.042 0.000 1.025 103 I CB 4.085 42.138 38.000 0.089 0.000 1.243 103 I HN -0.488 7.609 8.210 -0.133 0.033 0.424 104 A N 5.003 127.949 122.820 0.210 0.000 2.549 104 A HA 0.756 5.455 4.320 0.451 -0.108 0.297 104 A C -2.720 175.108 177.584 0.406 0.000 1.061 104 A CA -1.333 50.896 52.037 0.320 0.000 0.690 104 A CB 3.772 22.867 19.000 0.159 0.000 1.287 104 A HN 0.034 8.317 8.150 0.221 0.000 0.402 105 L N 0.594 122.116 121.223 0.499 0.000 2.346 105 L HA 0.721 5.437 4.340 0.403 -0.134 0.274 105 L C -1.412 175.784 176.870 0.542 0.000 1.007 105 L CA -1.487 53.632 54.840 0.465 0.000 0.818 105 L CB 4.353 46.590 42.059 0.296 0.000 1.284 105 L HN 0.704 9.185 8.230 0.597 0.107 0.424 106 M N 0.338 120.227 119.600 0.483 0.000 2.326 106 M HA 0.675 5.512 4.480 0.303 -0.175 0.306 106 M C -1.647 174.733 176.300 0.134 0.000 1.054 106 M CA -1.116 54.363 55.300 0.299 0.000 0.922 106 M CB 3.594 36.297 32.600 0.173 0.000 1.632 106 M HN 0.659 9.240 8.290 0.485 0.000 0.436 107 K N 3.666 123.987 120.400 -0.132 0.000 2.159 107 K HA 0.635 4.355 4.320 -1.234 -0.142 0.266 107 K C -1.537 174.860 176.600 -0.338 0.000 0.975 107 K CA -1.505 54.352 56.287 -0.717 0.000 0.865 107 K CB 3.014 35.075 32.500 -0.731 0.000 1.087 107 K HN 0.831 8.984 8.250 0.015 0.106 0.446 108 L N 4.899 125.919 121.223 -0.338 0.000 2.375 108 L HA 0.353 4.754 4.340 -0.111 -0.127 0.268 108 L C 0.130 176.909 176.870 -0.153 0.000 1.058 108 L CA -0.579 54.163 54.840 -0.163 0.000 0.803 108 L CB 0.784 42.780 42.059 -0.104 0.000 1.212 108 L HN 0.278 8.218 8.230 -0.483 0.000 0.451 109 K N -0.585 119.759 120.400 -0.092 0.000 1.978 109 K HA -0.287 3.987 4.320 -0.076 0.000 0.214 109 K C 0.260 176.817 176.600 -0.071 0.000 1.049 109 K CA 2.064 58.307 56.287 -0.072 0.000 0.939 109 K CB 0.714 33.187 32.500 -0.045 0.000 0.721 109 K HN 0.358 8.567 8.250 -0.069 0.000 0.441 110 K N -4.373 115.990 120.400 -0.061 0.000 2.340 110 K HA 0.344 4.630 4.320 -0.057 0.000 0.244 110 K C -2.959 173.604 176.600 -0.063 0.000 0.973 110 K CA -2.680 53.574 56.287 -0.056 0.000 0.828 110 K CB 1.067 33.543 32.500 -0.040 0.000 1.226 110 K HN -0.077 8.141 8.250 -0.054 0.000 0.437 111 P HA 0.031 4.575 4.420 -0.065 -0.163 0.271 111 P C -1.088 176.162 177.300 -0.084 0.000 1.218 111 P CA -0.434 62.621 63.100 -0.075 0.000 0.780 111 P CB 0.517 32.166 31.700 -0.084 0.000 0.901 112 V N 2.669 122.533 119.914 -0.083 0.000 2.716 112 V HA 0.104 4.188 4.120 -0.059 0.000 0.304 112 V C -1.126 174.829 176.094 -0.231 0.000 1.053 112 V CA -1.754 60.501 62.300 -0.075 0.000 0.984 112 V CB 2.634 34.475 31.823 0.029 0.000 1.021 112 V HN 0.088 8.244 8.190 -0.057 0.000 0.467 113 A N 4.623 127.330 122.820 -0.188 0.000 2.304 113 A HA 0.190 4.194 4.320 -0.526 0.000 0.301 113 A C -1.191 176.275 177.584 -0.195 0.000 1.132 113 A CA -0.442 51.415 52.037 -0.300 0.000 0.819 113 A CB 1.115 20.035 19.000 -0.133 0.000 1.094 113 A HN -0.235 7.861 8.150 -0.089 0.000 0.492 114 F N -0.789 119.140 119.950 -0.035 0.000 2.362 114 F HA -0.011 4.539 4.527 -0.027 -0.039 0.311 114 F C -0.677 175.148 175.800 0.041 0.000 1.161 114 F CA -1.398 56.568 58.000 -0.056 0.000 1.085 114 F CB 1.144 39.949 39.000 -0.325 0.000 1.311 114 F HN -0.003 7.993 8.300 -0.507 0.000 0.524 115 S N -1.671 114.232 115.700 0.339 0.000 2.815 115 S HA 0.234 4.791 4.470 0.145 0.000 0.296 115 S C -0.953 173.710 174.600 0.105 0.000 1.224 115 S CA -0.646 57.658 58.200 0.174 0.000 0.938 115 S CB 2.077 65.358 63.200 0.135 0.000 1.285 115 S HN 0.620 9.090 8.310 0.442 0.105 0.549 116 D N -0.317 119.950 120.400 -0.221 0.000 2.224 116 D HA -0.068 4.383 4.640 -0.315 0.000 0.205 116 D C 1.222 177.266 176.300 -0.428 0.000 0.965 116 D CA 2.863 56.592 54.000 -0.452 0.000 0.852 116 D CB 0.065 40.386 40.800 -0.799 0.000 0.947 116 D HN 0.478 8.675 8.370 -0.288 0.000 0.494 117 Y N -4.041 116.261 120.300 0.004 0.000 2.478 117 Y HA 0.032 4.528 4.550 -0.090 0.000 0.261 117 Y C -0.362 175.548 175.900 0.016 0.000 1.127 117 Y CA -0.302 57.781 58.100 -0.028 0.000 1.288 117 Y CB 0.969 39.413 38.460 -0.026 0.000 1.084 117 Y HN -0.343 7.718 8.280 -0.317 0.029 0.530 118 I N -1.841 118.864 120.570 0.225 0.000 2.466 118 I HA 0.350 4.805 4.170 0.167 -0.184 0.289 118 I C -1.661 174.611 176.117 0.260 0.000 1.026 118 I CA -0.969 60.469 61.300 0.229 0.000 1.078 118 I CB 2.783 40.941 38.000 0.263 0.000 1.249 118 I HN -0.754 7.470 8.210 0.225 0.122 0.429 119 H N 6.473 125.524 119.070 -0.031 0.000 3.140 119 H HA 0.286 4.386 4.556 -0.760 0.000 0.336 119 H C -3.047 172.212 175.328 -0.115 0.000 1.142 119 H CA -0.678 55.200 56.048 -0.282 0.000 1.308 119 H CB 4.112 33.788 29.762 -0.144 0.000 1.970 119 H HN -0.227 8.132 8.280 0.131 0.000 0.521 120 P HA 0.132 4.765 4.420 0.194 -0.096 0.282 120 P C -1.774 175.616 177.300 0.150 0.000 1.287 120 P CA -1.027 62.101 63.100 0.047 0.000 0.792 120 P CB 1.818 33.487 31.700 -0.051 0.000 1.163 121 V N -2.144 117.772 119.914 0.004 0.000 2.881 121 V HA 0.209 4.053 4.120 -0.460 0.000 0.316 121 V C -0.456 175.505 176.094 -0.223 0.000 1.070 121 V CA -2.202 59.884 62.300 -0.357 0.000 0.976 121 V CB 3.305 34.671 31.823 -0.762 0.000 1.038 121 V HN -0.245 7.971 8.190 0.043 0.000 0.446 122 C N 4.781 123.887 119.300 -0.322 0.000 2.443 122 C HA 0.208 4.608 4.460 -0.099 0.000 0.369 122 C C -0.986 174.012 174.990 0.013 0.000 1.241 122 C CA 0.348 59.240 59.018 -0.210 0.000 2.413 122 C CB 0.700 28.102 27.740 -0.563 0.000 2.451 122 C HN -0.195 7.744 8.230 -0.486 0.000 0.595 123 L N 0.727 122.047 121.223 0.162 0.000 2.346 123 L HA 0.453 4.934 4.340 0.235 0.000 0.276 123 L C -1.355 175.708 176.870 0.323 0.000 1.006 123 L CA -2.584 52.397 54.840 0.235 0.000 0.817 123 L CB 1.885 44.045 42.059 0.168 0.000 1.272 123 L HN 0.115 8.428 8.230 0.139 0.000 0.421 124 P HA 0.083 4.430 4.420 -0.122 0.000 0.276 124 P C -1.768 175.565 177.300 0.055 0.000 1.244 124 P CA -0.994 62.126 63.100 0.033 0.000 0.801 124 P CB 0.578 32.236 31.700 -0.071 0.000 1.006 125 D N -2.046 118.262 120.400 -0.154 0.000 2.299 125 D HA 0.068 4.765 4.640 0.095 0.000 0.243 125 D C 1.066 177.037 176.300 -0.549 0.000 0.982 125 D CA -1.957 51.960 54.000 -0.137 0.000 0.924 125 D CB 1.642 42.399 40.800 -0.072 0.000 1.238 125 D HN -0.200 7.990 8.370 -0.300 0.000 0.484 126 R N -0.153 119.962 120.500 -0.641 0.000 2.159 126 R HA -0.515 2.774 4.340 -1.753 0.000 0.249 126 R C 1.903 177.902 176.300 -0.501 0.000 1.136 126 R CA 4.397 60.006 56.100 -0.820 0.000 0.951 126 R CB 0.007 30.182 30.300 -0.208 0.000 0.876 126 R HN 0.413 8.559 8.270 -0.206 0.000 0.440 127 E N -3.722 116.296 120.200 -0.303 0.000 2.058 127 E HA -0.199 4.037 4.350 -0.191 0.000 0.194 127 E C 0.718 177.160 176.600 -0.264 0.000 0.997 127 E CA 2.341 58.605 56.400 -0.226 0.000 0.801 127 E CB -0.300 29.306 29.700 -0.156 0.000 0.746 127 E HN -0.218 8.048 8.360 -0.244 -0.053 0.450 128 T N 1.462 115.815 114.554 -0.334 0.000 2.817 128 T HA -0.232 3.932 4.350 -0.311 0.000 0.295 128 T C 0.209 174.695 174.700 -0.355 0.000 0.958 128 T CA 2.919 64.786 62.100 -0.389 0.000 1.157 128 T CB -0.493 67.991 68.868 -0.639 0.000 0.898 128 T HN -0.442 7.908 8.240 -0.343 -0.316 0.536 129 L N 0.732 121.910 121.223 -0.074 0.000 2.462 129 L HA -0.388 4.132 4.340 0.300 0.000 0.463 129 L C -0.485 176.307 176.870 -0.130 0.000 0.716 129 L CA 1.570 56.424 54.840 0.023 0.000 2.997 129 L CB -1.771 40.264 42.059 -0.041 0.000 0.811 129 L HN 0.762 8.906 8.230 -0.144 0.000 0.710 130 L N 0.217 121.297 121.223 -0.238 0.000 2.391 130 L HA -0.021 4.103 4.340 -0.361 0.000 0.249 130 L C -0.795 175.833 176.870 -0.403 0.000 1.308 130 L CA 0.365 55.002 54.840 -0.338 0.000 1.209 130 L CB -1.614 40.249 42.059 -0.327 0.000 1.401 130 L HN -0.069 8.036 8.230 -0.209 0.000 0.416 131 Q N 0.937 120.369 119.800 -0.613 0.000 2.387 131 Q HA 0.223 4.293 4.340 -0.449 0.000 0.273 131 Q C -1.310 174.378 176.000 -0.521 0.000 1.089 131 Q CA -2.209 53.172 55.803 -0.702 0.000 0.824 131 Q CB 4.250 32.258 28.738 -1.216 0.000 1.367 131 Q HN -0.097 7.740 8.270 -0.645 0.046 0.443 132 A N 0.846 123.473 122.820 -0.321 0.000 2.477 132 A HA -0.174 4.170 4.320 -0.161 -0.121 0.246 132 A C 0.340 177.876 177.584 -0.080 0.000 1.078 132 A CA 1.193 53.127 52.037 -0.173 0.000 0.770 132 A CB -0.412 18.512 19.000 -0.127 0.000 1.011 132 A HN 0.260 8.234 8.150 -0.293 0.000 0.494 133 G N 2.935 111.736 108.800 0.002 0.000 2.254 133 G HA2 -0.251 3.744 3.960 0.057 0.000 0.225 133 G HA3 -0.251 3.790 3.960 0.135 0.000 0.225 133 G C -0.393 174.638 174.900 0.219 0.000 1.003 133 G CA -0.269 44.894 45.100 0.105 0.000 0.622 133 G HN -0.117 8.153 8.290 -0.033 0.000 0.507 134 Y N 2.446 122.706 120.300 -0.066 0.000 2.359 134 Y HA -0.107 4.408 4.550 -0.059 0.000 0.330 134 Y C -0.559 175.307 175.900 -0.057 0.000 1.143 134 Y CA -0.827 57.233 58.100 -0.068 0.000 1.318 134 Y CB 0.381 38.786 38.460 -0.091 0.000 1.234 134 Y HN -0.589 7.741 8.280 0.230 0.088 0.522 135 K N 1.631 122.069 120.400 0.062 0.000 2.098 135 K HA 0.470 4.927 4.320 0.041 -0.113 0.258 135 K C -0.315 176.263 176.600 -0.038 0.000 0.973 135 K CA -0.970 55.329 56.287 0.021 0.000 0.898 135 K CB 2.548 35.057 32.500 0.015 0.000 1.057 135 K HN 0.101 8.351 8.250 0.001 0.000 0.447 136 G N -0.906 107.826 108.800 -0.113 0.000 2.730 136 G HA2 0.660 4.411 3.960 -0.349 0.000 0.289 136 G HA3 0.660 3.938 3.960 -1.137 0.000 0.289 136 G C -2.881 171.750 174.900 -0.448 0.000 1.341 136 G CA -1.133 43.660 45.100 -0.512 0.000 0.932 136 G HN 0.480 8.647 8.290 -0.024 0.109 0.481 137 R N -0.919 119.304 120.500 -0.463 0.000 2.740 137 R HA 1.012 5.484 4.340 -0.080 -0.181 0.282 137 R C -1.997 174.218 176.300 -0.140 0.000 0.969 137 R CA -1.782 54.223 56.100 -0.159 0.000 0.918 137 R CB 4.246 34.557 30.300 0.017 0.000 1.175 137 R HN 0.481 8.421 8.270 -0.551 0.000 0.464 138 V N 4.145 124.071 119.914 0.020 0.000 2.789 138 V HA 1.026 5.455 4.120 0.141 -0.224 0.311 138 V C -0.988 175.142 176.094 0.060 0.000 1.073 138 V CA -2.052 60.324 62.300 0.126 0.000 0.921 138 V CB 3.531 35.518 31.823 0.273 0.000 1.009 138 V HN 0.302 8.513 8.190 0.036 0.000 0.426 139 T N 0.391 114.963 114.554 0.030 0.000 2.883 139 T HA 0.817 5.269 4.350 -0.090 -0.156 0.296 139 T C -1.060 173.550 174.700 -0.151 0.000 1.117 139 T CA -2.460 59.585 62.100 -0.091 0.000 1.006 139 T CB 3.579 72.358 68.868 -0.149 0.000 1.191 139 T HN -0.152 8.133 8.240 0.074 0.000 0.508 140 G N -0.874 107.736 108.800 -0.317 0.000 2.325 140 G HA2 0.198 3.871 3.960 -0.479 0.000 0.297 140 G HA3 0.198 4.271 3.960 -0.099 -0.172 0.297 140 G C -2.188 172.503 174.900 -0.347 0.000 1.448 140 G CA 0.684 45.589 45.100 -0.325 0.000 0.838 140 G HN -0.321 7.748 8.290 -0.369 0.000 0.579 141 W N 1.219 122.542 121.300 0.039 0.000 2.937 141 W HA 0.424 5.086 4.660 0.004 0.000 0.435 141 W C -0.398 176.142 176.519 0.036 0.000 0.912 141 W CA -1.432 55.926 57.345 0.023 0.000 2.209 141 W CB -0.315 29.157 29.460 0.020 0.000 1.144 141 W HN 0.586 8.883 8.180 0.195 0.000 0.762 142 G N 0.491 109.396 108.800 0.175 0.000 2.557 142 G HA2 0.083 4.136 3.960 0.154 0.000 0.292 142 G HA3 0.083 4.364 3.960 0.115 -0.251 0.292 142 G C -0.853 174.110 174.900 0.106 0.000 1.237 142 G CA -0.940 44.242 45.100 0.137 0.000 0.978 142 G HN -0.649 7.782 8.290 0.106 -0.078 0.498 143 N N -1.613 117.141 118.700 0.090 0.000 2.283 143 N HA -0.339 4.443 4.740 0.071 0.000 0.236 143 N C -0.056 175.491 175.510 0.062 0.000 1.252 143 N CA 1.272 54.365 53.050 0.072 0.000 0.856 143 N CB 0.075 38.600 38.487 0.064 0.000 1.099 143 N HN 0.082 8.518 8.380 0.093 0.000 0.444 144 L N -1.795 119.460 121.223 0.053 0.000 2.513 144 L HA 0.158 4.749 4.340 0.045 -0.224 0.222 144 L C 0.501 177.394 176.870 0.040 0.000 1.096 144 L CA 0.469 55.335 54.840 0.045 0.000 0.857 144 L CB 0.987 43.070 42.059 0.040 0.000 1.026 144 L HN -0.073 8.188 8.230 0.052 0.000 0.469 145 K N -3.430 116.993 120.400 0.040 0.000 2.469 145 K HA 0.193 4.534 4.320 0.034 0.000 0.268 145 K C -0.867 175.756 176.600 0.038 0.000 1.027 145 K CA -0.865 55.443 56.287 0.035 0.000 0.893 145 K CB 2.209 34.727 32.500 0.029 0.000 1.460 145 K HN -0.608 7.634 8.250 0.043 0.034 0.449 146 E N 0.206 120.427 120.200 0.034 0.000 2.107 146 E HA -0.124 4.252 4.350 0.042 0.000 0.191 146 E C -0.242 176.378 176.600 0.035 0.000 0.982 146 E CA 2.311 58.733 56.400 0.037 0.000 0.809 146 E CB 0.732 30.452 29.700 0.033 0.000 0.756 146 E HN 0.415 8.793 8.360 0.030 0.000 0.459 156 Q N -0.518 119.309 119.800 0.045 0.000 2.397 156 Q HA 0.278 4.659 4.340 0.068 0.000 0.275 156 Q C -2.120 173.917 176.000 0.061 0.000 1.090 156 Q CA -2.649 53.191 55.803 0.060 0.000 0.809 156 Q CB 2.834 31.608 28.738 0.060 0.000 1.362 156 Q HN -0.234 8.060 8.270 0.039 0.000 0.431 157 P HA 0.333 4.783 4.420 0.050 0.000 0.283 157 P C -0.331 177.016 177.300 0.078 0.000 1.278 157 P CA -1.294 61.849 63.100 0.072 0.000 0.834 157 P CB 1.723 33.468 31.700 0.077 0.000 1.150 158 S N -1.861 113.870 115.700 0.050 0.000 2.483 158 S HA 0.034 4.521 4.470 0.028 0.000 0.221 158 S C -0.008 174.604 174.600 0.021 0.000 1.030 158 S CA 1.416 59.634 58.200 0.029 0.000 0.925 158 S CB 0.536 63.743 63.200 0.012 0.000 0.795 158 S HN 0.367 8.699 8.310 0.036 0.000 0.511 159 V N -0.301 119.618 119.914 0.009 0.000 3.158 159 V HA 0.343 4.539 4.120 -0.146 -0.163 0.315 159 V C -1.016 175.068 176.094 -0.017 0.000 1.148 159 V CA -1.707 60.520 62.300 -0.122 0.000 1.042 159 V CB 3.740 35.418 31.823 -0.242 0.000 1.101 159 V HN -0.818 7.383 8.190 0.019 0.000 0.448 160 L N 1.534 122.654 121.223 -0.171 0.000 2.453 160 L HA -0.054 3.811 4.340 -0.791 0.000 0.272 160 L C -1.318 175.396 176.870 -0.259 0.000 1.182 160 L CA 0.677 55.271 54.840 -0.410 0.000 0.858 160 L CB 0.981 42.787 42.059 -0.421 0.000 1.120 160 L HN -0.031 7.935 8.230 -0.439 0.000 0.474 161 Q N 2.562 122.201 119.800 -0.269 0.000 2.241 161 Q HA 0.783 5.243 4.340 -0.085 -0.172 0.262 161 Q C -0.384 175.543 176.000 -0.122 0.000 1.014 161 Q CA -2.248 53.480 55.803 -0.125 0.000 0.885 161 Q CB 3.504 32.203 28.738 -0.065 0.000 1.311 161 Q HN -0.019 8.015 8.270 -0.394 0.000 0.461 162 V N -1.701 118.178 119.914 -0.059 0.000 3.158 162 V HA 0.843 5.120 4.120 -0.043 -0.183 0.311 162 V C -1.552 174.550 176.094 0.013 0.000 1.181 162 V CA -2.343 59.937 62.300 -0.033 0.000 1.054 162 V CB 3.765 35.566 31.823 -0.037 0.000 1.085 162 V HN 0.614 8.782 8.190 -0.036 0.000 0.446 163 V N -1.845 118.092 119.914 0.039 0.000 2.963 163 V HA 0.077 4.244 4.120 0.078 0.000 0.272 163 V C -2.923 173.225 176.094 0.090 0.000 1.559 163 V CA -0.137 62.211 62.300 0.081 0.000 0.959 163 V CB 3.774 35.661 31.823 0.106 0.000 1.202 163 V HN -0.144 8.063 8.190 0.029 0.000 0.447 164 N N 6.966 125.735 118.700 0.115 0.000 2.392 164 N HA 0.742 5.691 4.740 0.047 -0.181 0.283 164 N C -1.158 174.432 175.510 0.133 0.000 1.003 164 N CA -0.714 52.394 53.050 0.095 0.000 0.892 164 N CB 1.763 40.307 38.487 0.095 0.000 1.193 164 N HN 0.235 8.696 8.380 0.136 0.000 0.487 165 L N 2.377 123.648 121.223 0.079 0.000 2.362 165 L HA 0.605 4.842 4.340 -0.171 0.000 0.271 165 L C -2.611 174.220 176.870 -0.066 0.000 1.002 165 L CA -3.285 51.536 54.840 -0.031 0.000 0.818 165 L CB 2.853 44.962 42.059 0.083 0.000 1.298 165 L HN 0.628 8.895 8.230 0.062 0.000 0.420 166 P HA 0.201 4.791 4.420 -0.033 -0.190 0.274 166 P C -0.639 176.619 177.300 -0.071 0.000 1.231 166 P CA -0.857 62.157 63.100 -0.145 0.000 0.790 166 P CB 0.717 32.278 31.700 -0.231 0.000 0.951 167 I N 0.097 120.647 120.570 -0.034 0.000 2.532 167 I HA -0.027 4.105 4.170 -0.063 0.000 0.292 167 I C 0.014 176.063 176.117 -0.114 0.000 1.014 167 I CA 0.205 61.457 61.300 -0.081 0.000 1.340 167 I CB 1.242 39.155 38.000 -0.146 0.000 1.422 167 I HN -0.305 7.902 8.210 -0.006 0.000 0.528 168 V N 5.290 125.115 119.914 -0.148 0.000 2.732 168 V HA 0.200 4.218 4.120 -0.170 0.000 0.310 168 V C -0.451 175.534 176.094 -0.183 0.000 1.053 168 V CA -1.417 60.757 62.300 -0.209 0.000 0.957 168 V CB 2.582 34.162 31.823 -0.405 0.000 1.018 168 V HN 0.310 8.419 8.190 -0.134 0.000 0.452 169 E N 3.984 124.085 120.200 -0.165 0.000 2.417 169 E HA -0.094 4.195 4.350 -0.102 0.000 0.261 169 E C 1.092 177.627 176.600 -0.109 0.000 1.000 169 E CA 0.844 57.174 56.400 -0.116 0.000 0.919 169 E CB 0.117 29.762 29.700 -0.091 0.000 0.955 169 E HN 0.303 8.560 8.360 -0.172 0.000 0.455 170 R N 6.510 126.974 120.500 -0.060 0.000 2.136 170 R HA -0.380 3.956 4.340 -0.006 0.000 0.242 170 R C -0.271 176.021 176.300 -0.013 0.000 1.131 170 R CA 5.416 61.507 56.100 -0.014 0.000 0.937 170 R CB -2.859 27.454 30.300 0.022 0.000 0.863 170 R HN 0.576 8.814 8.270 -0.053 0.000 0.435 171 P HA -0.175 4.256 4.420 0.017 0.000 0.217 171 P C 1.567 178.858 177.300 -0.015 0.000 1.151 171 P CA 2.924 66.022 63.100 -0.003 0.000 0.849 171 P CB -0.606 31.090 31.700 -0.006 0.000 0.787 172 V N -1.614 118.261 119.914 -0.064 0.000 2.453 172 V HA -0.385 3.712 4.120 -0.039 0.000 0.247 172 V C 1.930 177.932 176.094 -0.153 0.000 1.048 172 V CA 4.046 66.282 62.300 -0.105 0.000 1.049 172 V CB -0.450 31.266 31.823 -0.178 0.000 0.672 172 V HN -0.458 7.669 8.190 -0.077 0.017 0.457 173 c N -0.237 118.256 118.600 -0.178 0.000 2.436 173 c HA -0.342 4.045 4.570 -0.306 0.000 0.277 173 c C 2.636 176.814 174.090 0.148 0.000 1.241 173 c CA 3.268 59.531 56.329 -0.110 0.000 1.721 173 c CB -1.858 40.621 42.510 -0.051 0.000 2.043 173 c HN -0.117 7.916 8.230 -0.160 0.101 0.472 174 K N -0.076 120.401 120.400 0.129 0.000 2.074 174 K HA -0.339 4.100 4.320 0.199 0.000 0.209 174 K C 2.603 179.280 176.600 0.129 0.000 1.048 174 K CA 3.438 59.812 56.287 0.146 0.000 0.926 174 K CB -0.426 32.129 32.500 0.091 0.000 0.713 174 K HN 0.404 8.588 8.250 0.073 0.110 0.444 175 D N -4.560 115.897 120.400 0.096 0.000 2.352 175 D HA -0.025 4.666 4.640 0.085 0.000 0.232 175 D C 0.482 176.864 176.300 0.137 0.000 1.055 175 D CA 1.427 55.483 54.000 0.095 0.000 0.891 175 D CB -0.614 40.225 40.800 0.066 0.000 0.897 175 D HN -0.026 8.279 8.370 0.067 0.106 0.529 176 S N -3.411 112.408 115.700 0.198 0.000 2.524 176 S HA 0.025 4.628 4.470 0.223 0.000 0.215 176 S C -0.673 174.078 174.600 0.251 0.000 0.986 176 S CA 0.902 59.262 58.200 0.267 0.000 0.911 176 S CB 1.642 65.115 63.200 0.455 0.000 0.805 176 S HN -0.179 8.046 8.310 0.205 0.207 0.501 177 T N 0.577 115.266 114.554 0.224 0.000 2.787 177 T HA 0.214 4.661 4.350 0.161 0.000 0.297 177 T C -1.490 173.270 174.700 0.100 0.000 1.221 177 T CA -0.627 61.583 62.100 0.183 0.000 1.006 177 T CB 2.274 71.304 68.868 0.270 0.000 1.328 177 T HN -0.591 7.632 8.240 0.207 0.141 0.509 178 R N 0.686 121.217 120.500 0.052 0.000 2.507 178 R HA 0.233 4.580 4.340 0.012 0.000 0.298 178 R C -0.526 175.745 176.300 -0.048 0.000 0.999 178 R CA -0.512 55.590 56.100 0.004 0.000 1.082 178 R CB 0.381 30.675 30.300 -0.010 0.000 1.246 178 R HN 0.357 8.662 8.270 0.058 0.000 0.553 179 I N -0.082 120.447 120.570 -0.068 0.000 2.498 179 I HA 0.003 4.057 4.170 -0.193 0.000 0.301 179 I C -1.004 175.036 176.117 -0.128 0.000 0.984 179 I CA -1.464 59.724 61.300 -0.187 0.000 1.204 179 I CB 1.852 39.602 38.000 -0.416 0.000 1.362 179 I HN -0.545 7.582 8.210 -0.007 0.079 0.471 180 R N 4.812 125.225 120.500 -0.144 0.000 2.316 180 R HA -0.088 4.228 4.340 -0.041 0.000 0.314 180 R C -1.027 175.238 176.300 -0.058 0.000 1.069 180 R CA 0.124 56.176 56.100 -0.081 0.000 0.959 180 R CB -0.241 30.005 30.300 -0.090 0.000 0.987 180 R HN 0.166 8.325 8.270 -0.186 0.000 0.446 181 I N 6.183 126.764 120.570 0.018 0.000 2.396 181 I HA 0.071 4.303 4.170 0.105 0.000 0.292 181 I C -0.069 176.093 176.117 0.076 0.000 0.999 181 I CA -2.573 58.785 61.300 0.097 0.000 1.310 181 I CB 0.193 38.308 38.000 0.192 0.000 1.404 181 I HN 0.169 8.397 8.210 0.030 0.000 0.496 182 T N 2.821 117.426 114.554 0.086 0.000 2.844 182 T HA 0.250 4.620 4.350 0.034 0.000 0.274 182 T C -0.206 174.547 174.700 0.089 0.000 0.991 182 T CA -2.097 60.036 62.100 0.055 0.000 0.983 182 T CB 2.435 71.316 68.868 0.022 0.000 1.310 182 T HN -0.407 7.905 8.240 0.119 0.000 0.596 183 D N -2.691 117.743 120.400 0.056 0.000 2.340 183 D HA -0.021 4.681 4.640 0.104 0.000 0.220 183 D C -0.324 176.023 176.300 0.077 0.000 1.039 183 D CA 1.217 55.256 54.000 0.065 0.000 0.866 183 D CB -0.227 40.579 40.800 0.009 0.000 0.913 183 D HN 0.185 8.571 8.370 0.027 0.000 0.523 184 N N -1.253 117.495 118.700 0.080 0.000 2.295 184 N HA 0.060 4.844 4.740 0.074 0.000 0.221 184 N C -1.682 173.955 175.510 0.211 0.000 1.129 184 N CA -0.113 53.000 53.050 0.105 0.000 0.836 184 N CB 0.545 39.051 38.487 0.032 0.000 1.040 184 N HN -0.549 7.806 8.380 0.065 0.064 0.494 185 M N -2.712 117.042 119.600 0.257 0.000 2.618 185 M HA 0.745 5.485 4.480 0.130 -0.182 0.281 185 M C -2.156 174.305 176.300 0.269 0.000 1.267 185 M CA -0.460 54.970 55.300 0.216 0.000 0.845 185 M CB 5.412 38.169 32.600 0.262 0.000 1.732 185 M HN -0.911 7.450 8.290 0.259 0.084 0.461 186 F N -3.625 116.390 119.950 0.109 0.000 2.664 186 F HA 0.650 5.184 4.527 0.012 0.000 0.317 186 F C -2.895 172.813 175.800 -0.154 0.000 1.108 186 F CA -1.813 56.164 58.000 -0.038 0.000 0.957 186 F CB 2.514 41.398 39.000 -0.193 0.000 1.365 186 F HN -0.220 7.919 8.300 -0.268 0.000 0.475 187 c N -3.221 115.331 118.600 -0.079 0.000 2.889 187 c HA 1.073 5.492 4.570 -0.535 -0.169 0.307 187 c C -2.024 171.980 174.090 -0.144 0.000 1.251 187 c CA -3.687 52.372 56.329 -0.450 0.000 1.593 187 c CB 3.918 45.843 42.510 -0.975 0.000 2.104 187 c HN 0.452 8.692 8.230 0.018 0.000 0.476 188 A N 0.003 122.789 122.820 -0.058 0.000 2.539 188 A HA 0.894 5.259 4.320 -0.038 -0.068 0.296 188 A C -1.948 175.699 177.584 0.105 0.000 1.073 188 A CA -1.140 50.909 52.037 0.020 0.000 0.700 188 A CB 3.066 22.069 19.000 0.005 0.000 1.296 188 A HN 0.321 8.428 8.150 -0.071 0.000 0.405 189 G N 0.227 109.054 108.800 0.046 0.000 2.356 189 G HA2 -0.022 3.933 3.960 -0.009 0.000 0.300 189 G HA3 -0.022 4.037 3.960 0.166 0.000 0.300 189 G C -2.790 172.088 174.900 -0.037 0.000 1.331 189 G CA 0.410 45.542 45.100 0.053 0.000 0.905 189 G HN 0.270 8.528 8.290 -0.053 0.000 0.587 190 Y N -1.173 119.209 120.300 0.137 0.000 2.387 190 Y HA 0.061 4.838 4.550 0.143 -0.141 0.330 190 Y C 0.453 176.438 175.900 0.143 0.000 1.133 190 Y CA -1.256 56.920 58.100 0.127 0.000 1.152 190 Y CB 2.063 40.565 38.460 0.069 0.000 1.215 190 Y HN 0.003 8.430 8.280 0.246 0.000 0.466 191 K N 0.121 120.716 120.400 0.325 0.000 2.362 191 K HA -0.231 4.291 4.320 0.335 0.000 0.200 191 K C -0.018 176.677 176.600 0.158 0.000 1.046 191 K CA 0.080 56.522 56.287 0.258 0.000 0.952 191 K CB 0.114 32.733 32.500 0.198 0.000 0.753 191 K HN 0.259 8.699 8.250 0.317 0.000 0.466 192 K N -2.712 117.524 120.400 -0.273 0.000 7.205 192 K HA -0.433 3.670 4.320 -0.361 0.000 0.574 192 K C -1.229 175.140 176.600 -0.385 0.000 2.585 192 K CA 1.132 57.088 56.287 -0.552 0.000 2.030 192 K CB -0.402 31.317 32.500 -1.301 0.000 2.103 192 K HN 0.066 8.197 8.250 -0.198 0.000 0.243 193 R N 1.190 121.560 120.500 -0.217 0.000 3.018 193 R HA 0.270 4.665 4.340 0.092 0.000 0.243 193 R C -1.407 174.976 176.300 0.138 0.000 1.315 193 R CA -1.704 54.407 56.100 0.018 0.000 1.039 193 R CB 2.363 32.665 30.300 0.004 0.000 1.315 193 R HN 0.053 8.182 8.270 -0.236 0.000 0.492 194 G N -1.462 107.422 108.800 0.139 0.000 2.453 194 G HA2 -0.188 4.129 3.960 0.104 0.000 0.665 194 G HA3 -0.188 3.885 3.960 0.189 0.000 0.665 194 G C -2.572 172.415 174.900 0.144 0.000 1.411 194 G CA -0.364 44.825 45.100 0.149 0.000 0.889 194 G HN 0.187 8.984 8.290 0.102 -0.446 0.651 195 D N -1.157 119.314 120.400 0.119 0.000 2.808 195 D HA 0.202 4.930 4.640 0.147 0.000 0.294 195 D C -2.501 173.862 176.300 0.105 0.000 1.278 195 D CA -0.309 53.758 54.000 0.111 0.000 0.756 195 D CB 3.047 43.883 40.800 0.061 0.000 1.271 195 D HN -0.183 8.251 8.370 0.107 0.000 0.425 196 A N -1.385 121.494 122.820 0.099 0.000 2.252 196 A HA 0.247 4.627 4.320 0.100 0.000 0.305 196 A C -2.004 175.615 177.584 0.059 0.000 1.097 196 A CA -1.061 51.029 52.037 0.089 0.000 0.849 196 A CB 2.275 21.322 19.000 0.079 0.000 1.142 196 A HN 0.257 8.459 8.150 0.086 0.000 0.499 197 c N -2.858 115.782 118.600 0.066 0.000 3.292 197 c HA 0.243 4.850 4.570 0.061 0.000 0.369 197 c C -1.192 172.947 174.090 0.083 0.000 1.664 197 c CA -1.166 55.203 56.329 0.067 0.000 1.204 197 c CB 3.269 45.817 42.510 0.063 0.000 1.978 197 c HN 0.090 8.626 8.230 0.075 -0.261 0.435 198 E N 1.889 122.140 120.200 0.084 0.000 2.465 198 E HA -0.307 4.108 4.350 0.109 0.000 0.260 198 E C 0.731 177.390 176.600 0.099 0.000 0.980 198 E CA 2.352 58.809 56.400 0.095 0.000 0.927 198 E CB 0.436 30.186 29.700 0.083 0.000 0.934 198 E HN 0.279 8.685 8.360 0.076 0.000 0.459 199 G N 5.277 114.142 108.800 0.109 0.000 2.238 199 G HA2 -0.356 3.678 3.960 0.124 0.000 0.217 199 G HA3 -0.356 3.684 3.960 0.134 0.000 0.217 199 G C 0.276 175.263 174.900 0.144 0.000 0.996 199 G CA 0.672 45.849 45.100 0.128 0.000 0.632 199 G HN 0.930 9.286 8.290 0.111 0.000 0.503 200 D N 1.484 121.957 120.400 0.122 0.000 2.338 200 D HA 0.088 4.801 4.640 0.121 0.000 0.208 200 D C 0.194 176.565 176.300 0.119 0.000 0.997 200 D CA 1.255 55.325 54.000 0.116 0.000 0.880 200 D CB 0.883 41.742 40.800 0.098 0.000 0.980 200 D HN -0.038 8.320 8.370 0.112 0.079 0.509 201 S N -0.469 115.299 115.700 0.114 0.000 2.593 201 S HA -0.413 4.246 4.470 0.126 -0.112 0.303 201 S C 1.106 175.757 174.600 0.084 0.000 1.267 201 S CA 2.276 60.541 58.200 0.108 0.000 1.047 201 S CB -0.467 62.789 63.200 0.092 0.000 0.777 201 S HN -0.290 8.090 8.310 0.117 0.000 0.498 202 G N 4.450 113.310 108.800 0.100 0.000 2.268 202 G HA2 -0.437 3.668 3.960 0.106 0.000 0.240 202 G HA3 -0.437 3.704 3.960 0.083 -0.132 0.240 202 G C 0.030 175.025 174.900 0.158 0.000 1.010 202 G CA 0.359 45.524 45.100 0.108 0.000 0.618 202 G HN 0.660 8.918 8.290 0.125 0.107 0.516 203 G N 1.265 110.165 108.800 0.166 0.000 2.616 203 G HA2 0.332 4.403 3.960 0.185 0.000 0.268 203 G HA3 0.332 4.387 3.960 0.160 0.000 0.268 203 G C -2.703 172.336 174.900 0.231 0.000 1.213 203 G CA -1.774 43.437 45.100 0.184 0.000 0.926 203 G HN -0.250 8.030 8.290 0.152 0.101 0.523 204 P HA 0.528 5.268 4.420 0.281 -0.152 0.283 204 P C -2.062 175.420 177.300 0.302 0.000 1.271 204 P CA -1.535 61.721 63.100 0.259 0.000 0.841 204 P CB 2.292 34.114 31.700 0.203 0.000 1.122 205 F N 1.074 121.112 119.950 0.146 0.000 2.460 205 F HA 0.897 5.706 4.527 0.084 -0.232 0.341 205 F C -2.041 173.825 175.800 0.110 0.000 1.130 205 F CA -2.366 55.687 58.000 0.088 0.000 0.962 205 F CB 3.224 42.213 39.000 -0.019 0.000 1.171 205 F HN -0.183 8.347 8.300 0.383 0.000 0.436 206 V N 2.960 122.769 119.914 -0.175 0.000 3.113 206 V HA 0.955 5.229 4.120 0.047 -0.126 0.316 206 V C -2.240 173.820 176.094 -0.057 0.000 1.125 206 V CA -3.151 59.148 62.300 -0.001 0.000 1.026 206 V CB 3.892 35.780 31.823 0.108 0.000 1.080 206 V HN 0.795 8.832 8.190 -0.254 0.000 0.444 207 M N -0.904 118.713 119.600 0.029 0.000 2.550 207 M HA 0.394 4.786 4.480 -0.146 0.000 0.292 207 M C -1.962 174.132 176.300 -0.343 0.000 1.221 207 M CA -0.654 54.567 55.300 -0.131 0.000 0.873 207 M CB 5.147 37.681 32.600 -0.110 0.000 1.727 207 M HN 0.622 8.971 8.290 0.099 0.000 0.459 208 K N 1.629 121.592 120.400 -0.728 0.000 2.213 208 K HA 0.345 4.109 4.320 -1.191 -0.159 0.270 208 K C -0.816 175.511 176.600 -0.454 0.000 1.002 208 K CA -0.954 54.694 56.287 -1.064 0.000 0.868 208 K CB 1.417 32.992 32.500 -1.542 0.000 1.093 208 K HN 0.267 8.170 8.250 -0.578 0.000 0.454 209 S N 5.949 121.492 115.700 -0.261 0.000 2.380 209 S HA -0.098 4.292 4.470 -0.133 0.000 0.168 209 S C 0.253 174.764 174.600 -0.149 0.000 1.296 209 S CA 0.628 58.759 58.200 -0.116 0.000 2.072 209 S CB 1.094 64.344 63.200 0.083 0.000 0.456 209 S HN 0.992 9.023 8.310 -0.271 0.116 0.388 210 N N 0.231 118.919 118.700 -0.020 0.000 2.353 210 N HA -0.361 4.372 4.740 -0.012 0.000 0.242 210 N C -0.473 175.022 175.510 -0.025 0.000 1.168 210 N CA 0.712 53.758 53.050 -0.005 0.000 0.799 210 N CB -1.617 36.890 38.487 0.032 0.000 1.134 210 N HN 0.495 8.865 8.380 -0.017 0.000 0.592 211 N N -6.524 112.138 118.700 -0.063 0.000 2.678 211 N HA -0.496 4.219 4.740 -0.151 -0.065 0.249 211 N C -1.390 174.041 175.510 -0.132 0.000 1.119 211 N CA 1.759 54.748 53.050 -0.102 0.000 0.718 211 N CB -1.014 37.444 38.487 -0.048 0.000 1.060 211 N HN -0.090 8.248 8.380 -0.070 0.000 0.552 212 R N -3.425 116.988 120.500 -0.146 0.000 2.643 212 R HA 0.195 4.472 4.340 -0.105 0.000 0.272 212 R C -0.937 175.126 176.300 -0.394 0.000 0.995 212 R CA -1.368 54.599 56.100 -0.221 0.000 1.032 212 R CB 2.743 32.844 30.300 -0.331 0.000 1.126 212 R HN -0.806 7.372 8.270 -0.079 0.044 0.505 213 W N -0.681 120.418 121.300 -0.335 0.000 2.417 213 W HA 0.511 5.279 4.660 -0.150 -0.198 0.317 213 W C -0.224 175.923 176.519 -0.620 0.000 1.121 213 W CA -0.559 56.580 57.345 -0.344 0.000 1.208 213 W CB 1.627 30.866 29.460 -0.368 0.000 1.253 213 W HN 0.278 8.432 8.180 -0.042 0.000 0.533 214 Y N -0.154 120.098 120.300 -0.080 0.000 2.536 214 Y HA 0.312 4.956 4.550 -0.116 -0.163 0.347 214 Y C -1.451 174.405 175.900 -0.073 0.000 1.000 214 Y CA -1.475 56.568 58.100 -0.094 0.000 1.051 214 Y CB 4.762 43.178 38.460 -0.073 0.000 1.259 214 Y HN 0.831 9.178 8.280 0.112 0.000 0.468 215 Q N 1.546 121.419 119.800 0.121 0.000 2.360 215 Q HA 0.401 4.941 4.340 0.094 -0.144 0.254 215 Q C -0.549 175.586 176.000 0.225 0.000 0.975 215 Q CA -1.018 54.855 55.803 0.117 0.000 0.912 215 Q CB 1.507 30.288 28.738 0.072 0.000 1.212 215 Q HN 0.245 8.602 8.270 0.146 0.000 0.452 216 M N 5.370 125.140 119.600 0.284 0.000 2.534 216 M HA 0.138 4.757 4.480 0.232 0.000 0.263 216 M C -0.452 176.124 176.300 0.459 0.000 1.152 216 M CA -0.402 55.079 55.300 0.301 0.000 1.145 216 M CB 0.796 33.522 32.600 0.210 0.000 1.333 216 M HN 0.438 8.903 8.290 0.291 0.000 0.477 217 G N -3.880 105.262 108.800 0.571 0.000 2.866 217 G HA2 0.614 4.982 3.960 0.387 0.000 0.289 217 G HA3 0.614 4.803 3.960 0.380 0.000 0.289 217 G C -3.043 172.072 174.900 0.358 0.000 1.396 217 G CA -0.776 44.592 45.100 0.447 0.000 0.848 217 G HN -0.339 8.312 8.290 0.600 0.000 0.515 218 I N -2.360 118.377 120.570 0.278 0.000 2.647 218 I HA 0.649 5.205 4.170 0.300 -0.205 0.295 218 I C -0.471 175.818 176.117 0.288 0.000 1.078 218 I CA -1.617 59.848 61.300 0.275 0.000 1.048 218 I CB 4.544 42.665 38.000 0.201 0.000 1.239 218 I HN -0.444 7.948 8.210 0.170 -0.080 0.421 219 V N 5.001 125.069 119.914 0.258 0.000 2.521 219 V HA -0.115 3.856 4.120 -0.247 0.000 0.286 219 V C -1.091 175.018 176.094 0.025 0.000 1.034 219 V CA 1.767 64.094 62.300 0.045 0.000 1.045 219 V CB -0.757 31.133 31.823 0.111 0.000 0.974 219 V HN 0.323 8.671 8.190 0.264 0.000 0.480 220 S N 7.386 123.006 115.700 -0.134 0.000 3.226 220 S HA 0.214 4.879 4.470 0.324 0.000 0.195 220 S C -0.556 174.136 174.600 0.152 0.000 0.793 220 S CA 0.763 59.032 58.200 0.114 0.000 0.816 220 S CB 2.638 65.897 63.200 0.099 0.000 0.847 220 S HN 0.233 8.254 8.310 -0.482 0.000 0.630 221 W N -1.711 119.541 121.300 -0.080 0.000 3.098 221 W HA 0.343 4.972 4.660 -0.050 0.000 0.367 221 W C -2.036 174.497 176.519 0.024 0.000 1.163 221 W CA -1.142 56.168 57.345 -0.059 0.000 1.113 221 W CB 1.329 30.712 29.460 -0.128 0.000 1.501 221 W HN -0.550 7.357 8.180 -0.455 0.000 0.598 222 G N -1.826 107.203 108.800 0.381 0.000 2.430 222 G HA2 0.076 4.115 3.960 0.133 0.000 0.300 222 G HA3 0.076 4.080 3.960 0.075 0.000 0.300 222 G C -1.529 173.576 174.900 0.341 0.000 1.330 222 G CA -0.402 44.832 45.100 0.224 0.000 0.813 222 G HN -0.289 8.321 8.290 0.533 0.000 0.487 226 c N 1.621 120.246 118.600 0.040 0.000 2.955 226 c HA 0.480 5.261 4.570 0.032 -0.192 0.229 226 c C -1.280 172.824 174.090 0.023 0.000 1.842 226 c CA -1.309 55.041 56.329 0.034 0.000 1.539 226 c CB -0.890 41.645 42.510 0.043 0.000 2.869 226 c HN 0.094 8.635 8.230 0.037 -0.288 0.503 227 R N -0.890 119.593 120.500 -0.029 0.000 2.644 227 R HA 0.219 4.551 4.340 -0.013 0.000 0.257 227 R C -2.263 173.997 176.300 -0.067 0.000 1.082 227 R CA -0.389 55.694 56.100 -0.029 0.000 0.927 227 R CB 2.678 32.969 30.300 -0.014 0.000 1.258 227 R HN -0.441 7.813 8.270 -0.027 0.000 0.459 228 D N 1.770 122.142 120.400 -0.047 0.000 2.390 228 D HA -0.054 4.533 4.640 -0.089 0.000 0.249 228 D C 0.889 177.140 176.300 -0.082 0.000 1.144 228 D CA 1.335 55.297 54.000 -0.064 0.000 0.880 228 D CB 0.157 40.943 40.800 -0.024 0.000 1.182 228 D HN 0.191 8.546 8.370 -0.025 0.000 0.451 229 G N 2.316 111.024 108.800 -0.153 0.000 2.259 229 G HA2 -0.379 3.562 3.960 -0.032 0.000 0.217 229 G HA3 -0.379 3.568 3.960 -0.022 0.000 0.217 229 G C -0.753 174.019 174.900 -0.214 0.000 1.001 229 G CA -0.051 44.987 45.100 -0.102 0.000 0.627 229 G HN 0.416 8.575 8.290 -0.219 0.000 0.501 230 K N -0.414 119.778 120.400 -0.347 0.000 2.168 230 K HA 0.366 4.653 4.320 -0.056 0.000 0.239 230 K C -1.365 174.741 176.600 -0.824 0.000 0.999 230 K CA -1.128 54.978 56.287 -0.302 0.000 0.900 230 K CB 2.107 34.561 32.500 -0.075 0.000 1.111 230 K HN -0.670 7.319 8.250 -0.289 0.087 0.452 231 Y N -3.054 117.215 120.300 -0.051 0.000 2.638 231 Y HA 0.092 4.566 4.550 -0.126 0.000 0.339 231 Y C -1.118 174.581 175.900 -0.335 0.000 1.084 231 Y CA -0.622 57.352 58.100 -0.209 0.000 1.068 231 Y CB 3.710 41.959 38.460 -0.351 0.000 1.294 231 Y HN 0.133 8.456 8.280 0.071 0.000 0.480 232 G N -1.825 106.816 108.800 -0.265 0.000 2.400 232 G HA2 0.566 4.413 3.960 -0.342 0.000 0.333 232 G HA3 0.566 4.311 3.960 -0.357 0.000 0.333 232 G C -2.420 171.972 174.900 -0.846 0.000 1.143 232 G CA -1.700 43.138 45.100 -0.436 0.000 0.914 232 G HN -0.139 8.078 8.290 -0.122 0.000 0.480 233 F N 0.331 119.679 119.950 -1.003 0.000 2.507 233 F HA 0.817 5.150 4.527 -0.607 -0.170 0.327 233 F C -0.711 174.456 175.800 -1.055 0.000 1.068 233 F CA -1.440 55.966 58.000 -0.990 0.000 0.965 233 F CB 3.974 42.053 39.000 -1.534 0.000 1.192 233 F HN 0.364 8.206 8.300 -0.763 0.000 0.476 234 Y N -1.472 118.455 120.300 -0.622 0.000 2.576 234 Y HA 0.657 5.121 4.550 -0.367 -0.134 0.346 234 Y C -0.054 175.546 175.900 -0.500 0.000 1.018 234 Y CA -1.583 56.115 58.100 -0.671 0.000 1.050 234 Y CB 3.941 41.618 38.460 -1.306 0.000 1.280 234 Y HN 0.397 8.381 8.280 -0.493 0.000 0.474 235 T N 3.012 117.518 114.554 -0.080 0.000 2.897 235 T HA 0.057 4.571 4.350 0.071 -0.120 0.294 235 T C -1.011 173.759 174.700 0.117 0.000 1.004 235 T CA 0.446 62.578 62.100 0.055 0.000 1.106 235 T CB 0.832 69.775 68.868 0.124 0.000 0.949 235 T HN 0.271 8.513 8.240 0.003 0.000 0.520 236 H N 7.825 126.978 119.070 0.139 0.000 3.118 236 H HA 0.070 4.919 4.556 0.489 0.000 0.266 236 H C 0.528 176.001 175.328 0.241 0.000 1.465 236 H CA -0.682 55.543 56.048 0.294 0.000 1.460 236 H CB -0.705 29.213 29.762 0.260 0.000 1.661 236 H HN -0.157 8.293 8.280 0.283 0.000 0.516 237 V N 6.951 127.114 119.914 0.415 0.000 2.324 237 V HA -0.530 3.758 4.120 0.279 0.000 0.250 237 V C 1.851 178.149 176.094 0.341 0.000 1.060 237 V CA 4.337 66.838 62.300 0.336 0.000 1.042 237 V CB -0.356 31.651 31.823 0.307 0.000 0.650 237 V HN -0.380 8.049 8.190 0.398 0.000 0.450 238 F N 0.115 120.260 119.950 0.325 0.000 2.134 238 F HA -0.275 4.347 4.527 0.159 0.000 0.299 238 F C 1.517 177.403 175.800 0.144 0.000 1.097 238 F CA 2.653 60.782 58.000 0.215 0.000 1.264 238 F CB -0.152 38.970 39.000 0.203 0.000 1.001 238 F HN -0.312 8.364 8.300 0.627 0.000 0.479 239 R N -3.883 116.568 120.500 -0.082 0.000 2.293 239 R HA -0.255 3.825 4.340 -0.433 0.000 0.219 239 R C 0.795 177.003 176.300 -0.154 0.000 1.091 239 R CA 2.168 58.103 56.100 -0.274 0.000 1.004 239 R CB -0.101 30.028 30.300 -0.285 0.000 0.865 239 R HN -0.600 7.826 8.270 0.260 0.000 0.469 240 L N -4.431 116.776 121.223 -0.026 0.000 2.959 240 L HA 0.346 4.738 4.340 0.087 0.000 0.259 240 L C -0.013 176.942 176.870 0.142 0.000 1.185 240 L CA -1.006 53.893 54.840 0.097 0.000 0.998 240 L CB 0.355 42.513 42.059 0.165 0.000 1.337 240 L HN -0.543 7.529 8.230 0.037 0.180 0.555 241 K N 1.708 122.101 120.400 -0.012 0.000 2.147 241 K HA -0.380 3.993 4.320 0.087 0.000 0.205 241 K C 1.372 177.970 176.600 -0.002 0.000 1.049 241 K CA 3.834 60.124 56.287 0.004 0.000 0.936 241 K CB -0.224 32.233 32.500 -0.071 0.000 0.722 241 K HN -0.188 7.780 8.250 -0.158 0.187 0.446 242 K N -2.059 118.325 120.400 -0.027 0.000 2.097 242 K HA -0.224 4.072 4.320 -0.041 0.000 0.205 242 K C 2.043 178.657 176.600 0.022 0.000 1.050 242 K CA 2.572 58.850 56.287 -0.015 0.000 0.938 242 K CB -1.191 31.299 32.500 -0.017 0.000 0.718 242 K HN 0.343 8.524 8.250 -0.076 0.024 0.442 243 W N 0.797 122.062 121.300 -0.059 0.000 2.315 243 W HA -0.340 4.268 4.660 -0.086 0.000 0.323 243 W C 1.690 178.150 176.519 -0.099 0.000 1.233 243 W CA 3.458 60.763 57.345 -0.067 0.000 1.267 243 W CB -0.196 29.259 29.460 -0.009 0.000 1.160 243 W HN -0.905 7.415 8.180 0.244 0.006 0.474 244 I N -2.340 118.209 120.570 -0.035 0.000 2.074 244 I HA -0.823 3.060 4.170 -0.479 0.000 0.238 244 I C 2.024 177.903 176.117 -0.396 0.000 1.037 244 I CA 4.168 65.312 61.300 -0.260 0.000 1.301 244 I CB -0.495 37.493 38.000 -0.020 0.000 1.016 244 I HN -0.524 7.846 8.210 0.266 0.000 0.400 245 Q N -1.864 117.794 119.800 -0.237 0.000 1.998 245 Q HA -0.520 3.677 4.340 -0.237 0.000 0.209 245 Q C 2.095 177.903 176.000 -0.320 0.000 1.002 245 Q CA 3.308 58.971 55.803 -0.233 0.000 0.858 245 Q CB -0.370 28.291 28.738 -0.128 0.000 0.932 245 Q HN -0.072 8.118 8.270 -0.134 0.000 0.416 246 K N -0.702 119.517 120.400 -0.303 0.000 1.998 246 K HA -0.424 3.880 4.320 -0.263 -0.142 0.228 246 K C 2.425 178.750 176.600 -0.459 0.000 1.053 246 K CA 3.213 59.302 56.287 -0.331 0.000 0.988 246 K CB -0.069 32.261 32.500 -0.283 0.000 0.735 246 K HN -0.249 7.859 8.250 -0.237 0.000 0.448 247 V N -2.204 117.347 119.914 -0.605 0.000 2.380 247 V HA -0.353 3.544 4.120 -0.372 0.000 0.251 247 V C 1.740 177.488 176.094 -0.576 0.000 1.063 247 V CA 2.890 64.862 62.300 -0.547 0.000 1.055 247 V CB 0.046 31.339 31.823 -0.884 0.000 0.657 247 V HN -0.649 7.091 8.190 -0.750 0.000 0.455 248 I N -0.460 119.673 120.570 -0.728 0.000 2.252 248 I HA -0.507 3.072 4.170 -0.985 0.000 0.245 248 I C 0.879 176.791 176.117 -0.342 0.000 1.102 248 I CA 3.708 64.570 61.300 -0.731 0.000 1.385 248 I CB -0.156 37.381 38.000 -0.772 0.000 1.064 248 I HN -0.286 7.409 8.210 -0.710 0.089 0.414 249 D N -5.068 115.147 120.400 -0.308 0.000 2.352 249 D HA 0.033 4.592 4.640 -0.136 0.000 0.236 249 D C -0.130 176.018 176.300 -0.254 0.000 1.148 249 D CA 0.280 54.157 54.000 -0.204 0.000 0.844 249 D CB -0.618 40.084 40.800 -0.163 0.000 0.933 249 D HN 0.105 8.158 8.370 -0.350 0.107 0.507 250 Q N -2.090 117.473 119.800 -0.395 0.000 2.404 250 Q HA 0.062 4.135 4.340 -0.445 0.000 0.262 250 Q C 0.119 175.671 176.000 -0.746 0.000 0.846 250 Q CA 0.793 56.206 55.803 -0.650 0.000 0.978 250 Q CB 2.274 30.435 28.738 -0.962 0.000 1.156 250 Q HN -0.642 7.160 8.270 -0.398 0.229 0.548 251 F N -1.549 118.383 119.950 -0.030 0.000 2.698 251 F HA 0.378 4.985 4.527 0.133 0.000 0.304 251 F C -1.163 174.796 175.800 0.265 0.000 1.108 251 F CA -0.695 57.387 58.000 0.136 0.000 1.263 251 F CB 1.204 40.326 39.000 0.204 0.000 1.013 251 F HN 0.084 8.114 8.300 -0.287 0.097 0.532 252 G N -2.368 106.604 108.800 0.287 0.000 2.217 252 G HA2 -0.182 3.904 3.960 0.209 0.000 0.126 252 G HA3 -0.182 4.044 3.960 0.443 0.000 0.126 252 G C -3.093 171.990 174.900 0.305 0.000 1.293 252 G CA 0.370 45.666 45.100 0.326 0.000 1.219 252 G HN -0.697 7.658 8.290 0.108 0.000 0.477 253 E N 0.000 120.501 120.200 0.502 0.000 2.725 253 E HA 0.000 4.520 4.350 0.284 0.000 0.291 253 E CA 0.000 56.648 56.400 0.413 0.000 0.976 253 E CB 0.000 29.812 29.700 0.188 0.000 0.812 253 E HN 0.000 8.710 8.360 0.584 0.000 0.440