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 1c1w_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 4.211 4.170 0.069 0.000 0.288 16 I C 0.000 176.148 176.117 0.051 0.000 1.063 16 I CA 0.000 61.332 61.300 0.053 0.000 1.566 16 I CB 0.000 38.018 38.000 0.029 0.000 1.214 17 V N 4.326 124.276 119.914 0.059 0.000 2.513 17 V HA 0.342 4.625 4.120 0.044 -0.136 0.299 17 V C 0.251 176.379 176.094 0.055 0.000 1.035 17 V CA -1.767 60.565 62.300 0.052 0.000 0.889 17 V CB 2.047 33.901 31.823 0.052 0.000 0.988 17 V HN 0.770 9.002 8.190 0.071 0.000 0.440 18 E N 1.769 121.994 120.200 0.042 0.000 2.476 18 E HA -0.415 3.951 4.350 0.026 0.000 0.251 18 E C -1.201 175.425 176.600 0.044 0.000 1.130 18 E CA 1.210 57.632 56.400 0.036 0.000 0.736 18 E CB -2.258 27.463 29.700 0.034 0.000 1.298 18 E HN 0.942 9.323 8.360 0.036 0.000 0.400 19 G N -3.903 104.921 108.800 0.040 0.000 2.511 19 G HA2 0.423 4.402 3.960 0.045 0.000 0.318 19 G HA3 0.423 4.456 3.960 0.036 -0.052 0.318 19 G C -1.638 173.274 174.900 0.020 0.000 1.210 19 G CA -1.045 44.077 45.100 0.036 0.000 0.969 19 G HN -0.629 7.662 8.290 0.036 0.021 0.484 20 S N -0.144 115.565 115.700 0.014 0.000 2.758 20 S HA 0.250 4.727 4.470 0.011 0.000 0.292 20 S C -0.961 173.638 174.600 -0.001 0.000 1.131 20 S CA -1.244 56.962 58.200 0.009 0.000 0.997 20 S CB 2.407 65.615 63.200 0.013 0.000 1.111 20 S HN -0.132 8.188 8.310 0.016 0.000 0.552 21 D N 0.384 120.788 120.400 0.007 0.000 2.362 21 D HA 0.021 4.901 4.640 -0.022 -0.253 0.242 21 D C 0.037 176.351 176.300 0.023 0.000 1.132 21 D CA 0.355 54.359 54.000 0.007 0.000 0.907 21 D CB 0.606 41.426 40.800 0.033 0.000 1.195 21 D HN 0.064 8.442 8.370 0.014 0.000 0.429 22 A N 2.776 125.618 122.820 0.037 0.000 2.259 22 A HA 0.045 4.359 4.320 -0.011 0.000 0.278 22 A C -0.714 176.942 177.584 0.120 0.000 1.107 22 A CA -0.793 51.269 52.037 0.043 0.000 0.828 22 A CB 1.769 20.770 19.000 0.002 0.000 1.111 22 A HN 0.537 8.600 8.150 0.007 0.091 0.498 23 E N -1.347 118.855 120.200 0.003 0.000 2.232 23 E HA 0.137 4.460 4.350 -0.045 0.000 0.265 23 E C -0.801 175.692 176.600 -0.178 0.000 1.001 23 E CA -1.858 54.502 56.400 -0.065 0.000 0.870 23 E CB 1.485 31.141 29.700 -0.072 0.000 1.175 23 E HN -0.037 8.296 8.360 -0.045 0.000 0.407 24 I N 0.051 120.455 120.570 -0.277 0.000 2.813 24 I HA -0.193 3.675 4.170 -0.503 0.000 0.287 24 I C 1.220 177.262 176.117 -0.125 0.000 1.196 24 I CA 0.750 61.866 61.300 -0.307 0.000 1.421 24 I CB -0.016 37.853 38.000 -0.218 0.000 1.365 24 I HN 0.092 8.168 8.210 -0.224 0.000 0.591 25 G N 3.317 112.087 108.800 -0.050 0.000 2.379 25 G HA2 -0.403 3.519 3.960 -0.063 0.000 0.297 25 G HA3 -0.403 3.517 3.960 -0.066 0.000 0.297 25 G C -0.366 174.383 174.900 -0.252 0.000 1.004 25 G CA 1.026 46.072 45.100 -0.090 0.000 0.921 25 G HN 0.211 8.488 8.290 -0.022 0.000 0.511 26 M N -1.709 117.719 119.600 -0.286 0.000 2.466 26 M HA -0.016 4.263 4.480 -0.336 0.000 0.265 26 M C -0.958 174.948 176.300 -0.657 0.000 1.122 26 M CA 1.671 56.748 55.300 -0.372 0.000 1.157 26 M CB 1.346 33.794 32.600 -0.252 0.000 1.352 26 M HN -0.654 7.483 8.290 -0.227 0.016 0.464 27 S N -2.377 112.899 115.700 -0.706 0.000 2.128 27 S HA 0.492 3.881 4.470 -1.801 0.000 0.157 27 S C -1.761 172.141 174.600 -1.163 0.000 1.650 27 S CA -2.093 55.407 58.200 -1.166 0.000 1.269 27 S CB 0.336 63.145 63.200 -0.651 0.000 1.227 27 S HN -0.057 7.962 8.310 -0.486 0.000 0.405 28 P HA 0.088 4.436 4.420 -0.287 -0.100 0.225 28 P C 0.162 177.302 177.300 -0.266 0.000 1.148 28 P CA 1.699 64.501 63.100 -0.496 0.000 0.779 28 P CB 0.050 31.552 31.700 -0.329 0.000 0.780 29 W N -5.339 115.941 121.300 -0.032 0.000 3.290 29 W HA 0.260 4.988 4.660 0.001 -0.067 0.287 29 W C -1.038 175.495 176.519 0.024 0.000 1.288 29 W CA -3.194 54.145 57.345 -0.009 0.000 1.725 29 W CB -1.669 27.774 29.460 -0.029 0.000 1.103 29 W HN -0.512 6.606 8.180 -1.658 0.067 0.670 30 Q N 2.248 122.053 119.800 0.009 0.000 2.297 30 Q HA 0.125 4.699 4.340 0.198 -0.115 0.267 30 Q C -1.088 175.023 176.000 0.186 0.000 1.006 30 Q CA 0.283 56.139 55.803 0.089 0.000 0.896 30 Q CB 0.224 28.885 28.738 -0.130 0.000 1.186 30 Q HN -0.218 7.685 8.270 -0.315 0.177 0.392 31 V N 5.232 125.290 119.914 0.239 0.000 3.019 31 V HA 0.384 4.770 4.120 0.260 -0.109 0.317 31 V C -1.231 175.076 176.094 0.356 0.000 1.094 31 V CA -1.971 60.489 62.300 0.266 0.000 1.000 31 V CB 3.620 35.572 31.823 0.214 0.000 1.060 31 V HN 0.457 8.695 8.190 0.225 0.087 0.443 32 M N 2.291 122.072 119.600 0.301 0.000 2.259 32 M HA 0.414 5.254 4.480 0.392 -0.125 0.304 32 M C -2.073 174.353 176.300 0.209 0.000 1.019 32 M CA -1.176 54.299 55.300 0.292 0.000 0.922 32 M CB 3.562 36.215 32.600 0.088 0.000 1.600 32 M HN 0.067 8.489 8.290 0.219 0.000 0.433 33 L N 5.535 126.884 121.223 0.210 0.000 2.292 33 L HA 0.605 5.201 4.340 0.168 -0.155 0.284 33 L C -1.654 175.351 176.870 0.226 0.000 1.065 33 L CA -0.869 54.076 54.840 0.175 0.000 0.806 33 L CB 1.135 43.268 42.059 0.122 0.000 1.175 33 L HN 0.603 8.967 8.230 0.224 0.000 0.431 34 F N 4.750 124.711 119.950 0.018 0.000 2.540 34 F HA 0.662 5.322 4.527 -0.006 -0.136 0.317 34 F C -2.246 173.551 175.800 -0.006 0.000 1.104 34 F CA -1.909 56.089 58.000 -0.004 0.000 0.913 34 F CB 4.510 43.498 39.000 -0.020 0.000 1.170 34 F HN 0.984 9.340 8.300 0.261 0.101 0.450 35 R N 4.085 124.295 120.500 -0.484 0.000 2.523 35 R HA 0.549 4.946 4.340 -0.153 -0.149 0.223 35 R C 0.350 176.409 176.300 -0.401 0.000 1.280 35 R CA -2.143 53.764 56.100 -0.322 0.000 1.047 35 R CB 2.642 32.775 30.300 -0.279 0.000 1.650 35 R HN 0.892 8.596 8.270 -0.763 0.108 0.545 36 S N -0.147 115.488 115.700 -0.109 0.000 2.525 36 S HA 0.038 4.449 4.470 -0.098 0.000 0.285 36 S C -0.920 173.619 174.600 -0.101 0.000 1.283 36 S CA -0.645 57.499 58.200 -0.093 0.000 1.072 36 S CB 0.015 63.181 63.200 -0.057 0.000 0.867 36 S HN -0.268 7.983 8.310 -0.098 0.000 0.492 37 P HA -0.073 4.292 4.420 -0.092 0.000 0.270 37 P C -1.494 175.677 177.300 -0.216 0.000 1.221 37 P CA -0.097 62.931 63.100 -0.120 0.000 0.788 37 P CB 0.674 32.317 31.700 -0.095 0.000 0.904 38 Q N -0.342 119.328 119.800 -0.215 0.000 2.389 38 Q HA 0.106 4.399 4.340 -0.700 -0.374 0.244 38 Q C -0.545 175.156 176.000 -0.498 0.000 1.056 38 Q CA -0.198 55.342 55.803 -0.438 0.000 0.908 38 Q CB 0.480 29.180 28.738 -0.063 0.000 1.273 38 Q HN 0.128 8.322 8.270 -0.126 0.000 0.471 39 E N 0.982 120.742 120.200 -0.732 0.000 2.383 39 E HA 0.261 4.484 4.350 -0.211 0.000 0.275 39 E C -1.868 174.518 176.600 -0.357 0.000 0.918 39 E CA -2.348 53.824 56.400 -0.381 0.000 0.764 39 E CB 3.067 32.654 29.700 -0.189 0.000 1.252 39 E HN -0.268 7.549 8.360 -0.905 0.000 0.449 40 L N 1.149 122.343 121.223 -0.049 0.000 2.453 40 L HA -0.096 4.367 4.340 0.205 0.000 0.272 40 L C -0.959 175.935 176.870 0.039 0.000 1.182 40 L CA 0.722 55.619 54.840 0.095 0.000 0.858 40 L CB 0.012 42.151 42.059 0.132 0.000 1.120 40 L HN 0.300 8.527 8.230 -0.005 0.000 0.474 41 L N 6.304 127.567 121.223 0.066 0.000 2.453 41 L HA -0.077 4.275 4.340 0.019 0.000 0.190 41 L C -0.601 176.316 176.870 0.079 0.000 1.093 41 L CA 1.227 56.092 54.840 0.042 0.000 0.834 41 L CB 2.316 44.389 42.059 0.022 0.000 1.090 41 L HN 0.505 8.805 8.230 0.117 0.000 0.489 42 c N -6.247 112.420 118.600 0.113 0.000 3.293 42 c HA 0.359 5.142 4.570 0.131 -0.134 0.362 42 c C -1.575 172.629 174.090 0.190 0.000 1.539 42 c CA -1.071 55.334 56.329 0.125 0.000 1.201 42 c CB 3.839 46.385 42.510 0.059 0.000 1.770 42 c HN -0.807 7.500 8.230 0.129 0.000 0.440 43 G N -1.796 107.111 108.800 0.178 0.000 2.491 43 G HA2 0.783 5.044 3.960 0.283 0.000 0.327 43 G HA3 0.783 4.846 3.960 0.172 0.000 0.327 43 G C -2.991 172.014 174.900 0.176 0.000 1.189 43 G CA -1.408 43.815 45.100 0.206 0.000 0.956 43 G HN 0.673 9.046 8.290 0.139 0.000 0.491 44 A N -2.525 120.409 122.820 0.191 0.000 2.511 44 A HA 0.961 5.672 4.320 0.172 -0.288 0.293 44 A C -2.351 175.357 177.584 0.207 0.000 1.098 44 A CA -0.391 51.757 52.037 0.185 0.000 0.643 44 A CB 2.766 21.872 19.000 0.177 0.000 1.302 44 A HN -0.398 7.874 8.150 0.204 0.000 0.446 45 S N -2.502 113.324 115.700 0.210 0.000 2.595 45 S HA 1.049 5.927 4.470 0.276 -0.243 0.281 45 S C -1.092 173.638 174.600 0.217 0.000 1.117 45 S CA -1.800 56.541 58.200 0.236 0.000 0.873 45 S CB 3.940 67.263 63.200 0.204 0.000 1.108 45 S HN 0.372 8.802 8.310 0.200 0.000 0.477 46 L N 2.953 124.315 121.223 0.232 0.000 2.257 46 L HA 0.440 5.028 4.340 0.203 -0.126 0.290 46 L C -0.401 176.564 176.870 0.159 0.000 1.044 46 L CA -0.598 54.361 54.840 0.199 0.000 0.810 46 L CB 1.590 43.764 42.059 0.192 0.000 1.193 46 L HN 0.144 8.549 8.230 0.292 0.000 0.425 47 I N -0.849 119.824 120.570 0.172 0.000 4.035 47 I HA 0.456 4.666 4.170 0.066 0.000 0.321 47 I C -0.735 175.466 176.117 0.140 0.000 1.289 47 I CA -0.320 61.055 61.300 0.125 0.000 1.236 47 I CB 1.515 39.594 38.000 0.132 0.000 1.076 47 I HN 0.286 8.629 8.210 0.221 0.000 0.418 48 S N -0.786 115.046 115.700 0.220 0.000 3.070 48 S HA 0.163 4.771 4.470 0.230 0.000 0.320 48 S C -1.565 173.244 174.600 0.348 0.000 1.215 48 S CA -0.703 57.661 58.200 0.274 0.000 0.956 48 S CB 2.103 65.500 63.200 0.328 0.000 1.337 48 S HN -0.799 7.662 8.310 0.252 0.000 0.639 49 D N -3.886 116.730 120.400 0.359 0.000 2.350 49 D HA 0.036 4.965 4.640 0.481 0.000 0.213 49 D C 0.340 176.725 176.300 0.143 0.000 1.031 49 D CA 1.425 55.607 54.000 0.304 0.000 0.861 49 D CB 0.218 41.061 40.800 0.071 0.000 0.926 49 D HN 0.236 8.796 8.370 0.317 0.000 0.520 50 R N -1.936 118.628 120.500 0.105 0.000 2.487 50 R HA 0.324 4.597 4.340 -0.111 0.000 0.272 50 R C -1.698 174.387 176.300 -0.357 0.000 0.928 50 R CA -0.212 55.799 56.100 -0.148 0.000 1.077 50 R CB 2.065 32.180 30.300 -0.308 0.000 1.265 50 R HN -0.248 8.115 8.270 0.225 0.043 0.537 51 W N -1.834 119.528 121.300 0.103 0.000 2.632 51 W HA 0.685 5.603 4.660 0.101 -0.197 0.328 51 W C -1.104 175.481 176.519 0.109 0.000 1.044 51 W CA -0.697 56.706 57.345 0.097 0.000 1.225 51 W CB 2.781 32.281 29.460 0.067 0.000 1.396 51 W HN -0.501 7.848 8.180 0.283 0.000 0.499 52 V N 1.932 122.037 119.914 0.318 0.000 2.680 52 V HA 0.794 5.235 4.120 0.238 -0.178 0.309 52 V C -2.057 174.204 176.094 0.279 0.000 1.052 52 V CA -1.288 61.161 62.300 0.249 0.000 0.908 52 V CB 3.562 35.493 31.823 0.180 0.000 1.001 52 V HN 0.693 9.081 8.190 0.331 0.000 0.431 53 L N 7.135 128.503 121.223 0.242 0.000 2.313 53 L HA 0.862 5.507 4.340 0.268 -0.145 0.283 53 L C -1.770 175.223 176.870 0.205 0.000 1.013 53 L CA -1.352 53.630 54.840 0.237 0.000 0.816 53 L CB 3.171 45.359 42.059 0.216 0.000 1.236 53 L HN 0.697 9.060 8.230 0.222 0.000 0.419 54 T N 5.794 120.463 114.554 0.192 0.000 2.618 54 T HA 0.526 5.150 4.350 0.150 -0.184 0.286 54 T C -2.123 172.642 174.700 0.108 0.000 1.027 54 T CA -2.986 59.199 62.100 0.141 0.000 1.063 54 T CB 2.696 71.634 68.868 0.116 0.000 1.440 54 T HN 0.684 9.053 8.240 0.215 0.000 0.505 55 A N -0.253 122.587 122.820 0.035 0.000 2.301 55 A HA 0.455 4.947 4.320 0.038 -0.148 0.312 55 A C 0.525 178.025 177.584 -0.139 0.000 1.182 55 A CA -1.646 50.376 52.037 -0.026 0.000 0.826 55 A CB 0.951 19.908 19.000 -0.071 0.000 1.134 55 A HN 0.320 8.481 8.150 0.019 0.000 0.501 56 A N 4.803 127.503 122.820 -0.200 0.000 1.972 56 A HA -0.309 3.886 4.320 -0.207 0.000 0.219 56 A C 1.234 178.637 177.584 -0.301 0.000 1.169 56 A CA 3.044 54.853 52.037 -0.381 0.000 0.635 56 A CB -0.360 18.050 19.000 -0.983 0.000 0.810 56 A HN 0.667 8.716 8.150 -0.161 0.005 0.446 57 H N -5.755 113.210 119.070 -0.176 0.000 2.563 57 H HA 0.044 4.910 4.556 0.144 -0.225 0.272 57 H C 1.102 176.461 175.328 0.051 0.000 1.005 57 H CA 0.815 56.902 56.048 0.066 0.000 1.171 57 H CB -1.364 28.522 29.762 0.208 0.000 1.351 57 H HN -0.095 8.445 8.280 -0.060 -0.296 0.602 58 c N -1.930 116.453 118.600 -0.362 0.000 2.514 58 c HA -0.061 4.407 4.570 -0.169 0.000 0.271 58 c C -0.227 173.823 174.090 -0.067 0.000 1.399 58 c CA 1.491 57.691 56.329 -0.215 0.000 1.765 58 c CB -1.117 41.283 42.510 -0.183 0.000 1.893 58 c HN -0.699 7.116 8.230 -0.391 0.181 0.531 59 L N -2.779 118.412 121.223 -0.053 0.000 2.304 59 L HA 0.312 4.643 4.340 -0.016 0.000 0.268 59 L C -0.168 176.700 176.870 -0.004 0.000 1.010 59 L CA -0.999 53.830 54.840 -0.019 0.000 0.813 59 L CB 1.816 43.867 42.059 -0.012 0.000 1.315 59 L HN -0.401 7.593 8.230 -0.084 0.186 0.445 60 T N 1.382 115.920 114.554 -0.027 0.000 2.952 60 T HA 0.382 4.710 4.350 -0.037 0.000 0.286 60 T C 0.673 175.355 174.700 -0.031 0.000 1.024 60 T CA -1.557 60.524 62.100 -0.033 0.000 1.029 60 T CB 1.693 70.541 68.868 -0.034 0.000 1.094 60 T HN 0.532 9.062 8.240 -0.027 -0.306 0.515 61 E N 4.217 124.393 120.200 -0.040 0.000 2.119 61 E HA -0.490 3.839 4.350 -0.034 0.000 0.221 61 E C 2.103 178.689 176.600 -0.023 0.000 1.062 61 E CA 3.727 60.105 56.400 -0.038 0.000 0.894 61 E CB -0.666 29.003 29.700 -0.051 0.000 0.785 61 E HN 0.645 8.974 8.360 -0.052 0.000 0.472 62 N N -2.861 115.824 118.700 -0.025 0.000 2.513 62 N HA -0.248 4.482 4.740 -0.016 0.000 0.187 62 N C 0.033 175.532 175.510 -0.017 0.000 1.056 62 N CA 2.307 55.346 53.050 -0.019 0.000 0.907 62 N CB -0.652 37.822 38.487 -0.022 0.000 0.954 62 N HN 0.180 8.541 8.380 -0.031 0.000 0.445 63 D N -2.408 117.980 120.400 -0.019 0.000 2.367 63 D HA 0.064 4.687 4.640 -0.027 0.000 0.207 63 D C -0.991 175.298 176.300 -0.018 0.000 1.034 63 D CA 1.032 55.018 54.000 -0.024 0.000 0.861 63 D CB 0.760 41.542 40.800 -0.031 0.000 0.943 63 D HN 0.108 8.270 8.370 -0.021 0.195 0.515 64 L N -2.569 118.654 121.223 0.000 0.000 2.303 64 L HA 0.787 5.308 4.340 0.021 -0.168 0.266 64 L C -1.300 175.605 176.870 0.058 0.000 1.011 64 L CA -1.295 53.562 54.840 0.027 0.000 0.818 64 L CB 3.752 45.830 42.059 0.032 0.000 1.326 64 L HN -0.619 7.569 8.230 -0.002 0.041 0.435 65 L N -2.809 118.475 121.223 0.102 0.000 2.393 65 L HA 0.644 5.153 4.340 0.080 -0.120 0.260 65 L C -1.866 175.085 176.870 0.135 0.000 1.002 65 L CA -1.418 53.496 54.840 0.123 0.000 0.818 65 L CB 5.016 47.194 42.059 0.199 0.000 1.369 65 L HN 0.158 8.460 8.230 0.120 0.000 0.412 66 V N 1.075 121.046 119.914 0.096 0.000 2.540 66 V HA 0.610 4.977 4.120 0.124 -0.172 0.302 66 V C -1.628 174.507 176.094 0.070 0.000 1.035 66 V CA -1.180 61.178 62.300 0.098 0.000 0.873 66 V CB 3.199 35.073 31.823 0.086 0.000 0.992 66 V HN 0.551 8.785 8.190 0.074 0.000 0.428 67 R N 6.549 127.085 120.500 0.060 0.000 2.439 67 R HA 0.721 5.248 4.340 0.014 -0.179 0.310 67 R C -0.948 175.390 176.300 0.063 0.000 0.955 67 R CA -1.411 54.694 56.100 0.008 0.000 0.853 67 R CB 2.065 32.290 30.300 -0.125 0.000 1.171 67 R HN 0.821 9.146 8.270 0.091 0.000 0.449 68 I N 1.050 121.665 120.570 0.074 0.000 2.530 68 I HA 0.328 4.589 4.170 0.152 0.000 0.297 68 I C -0.214 175.959 176.117 0.093 0.000 1.011 68 I CA -1.887 59.481 61.300 0.115 0.000 1.107 68 I CB 2.618 40.695 38.000 0.129 0.000 1.285 68 I HN 0.630 8.874 8.210 0.057 0.000 0.436 69 G N 3.308 112.178 108.800 0.117 0.000 2.179 69 G HA2 -0.398 3.855 3.960 0.145 0.000 0.220 69 G HA3 -0.398 3.755 3.960 0.083 -0.143 0.220 69 G C -1.116 173.814 174.900 0.051 0.000 0.990 69 G CA -0.159 45.001 45.100 0.100 0.000 0.646 69 G HN 0.517 8.893 8.290 0.144 0.000 0.517 70 K N -1.308 119.159 120.400 0.112 0.000 2.138 70 K HA 0.051 4.476 4.320 -0.000 -0.105 0.251 70 K C -1.657 175.154 176.600 0.352 0.000 1.015 70 K CA 0.410 56.773 56.287 0.127 0.000 0.917 70 K CB 0.882 33.353 32.500 -0.047 0.000 1.021 70 K HN -0.487 7.809 8.250 0.157 0.048 0.485 71 H N -0.007 119.166 119.070 0.171 0.000 1.855 71 H HA 0.253 4.983 4.556 0.291 0.000 0.178 71 H C -0.110 175.395 175.328 0.295 0.000 0.923 71 H CA 0.928 57.105 56.048 0.215 0.000 0.993 71 H CB 3.533 33.305 29.762 0.016 0.000 1.078 71 H HN 0.090 8.858 8.280 0.145 -0.401 0.349 72 S N -0.870 114.850 115.700 0.032 0.000 2.585 72 S HA 0.164 4.766 4.470 -0.089 -0.186 0.273 72 S C 0.847 175.274 174.600 -0.288 0.000 1.339 72 S CA -0.467 57.678 58.200 -0.092 0.000 1.028 72 S CB 1.135 64.286 63.200 -0.081 0.000 0.906 72 S HN -0.622 8.108 8.310 0.087 -0.367 0.528 73 R N 4.667 124.973 120.500 -0.323 0.000 2.087 73 R HA 0.006 3.600 4.340 -1.243 0.000 0.216 73 R C 1.003 177.086 176.300 -0.362 0.000 1.114 73 R CA 2.353 58.093 56.100 -0.599 0.000 1.002 73 R CB 0.447 30.569 30.300 -0.296 0.000 0.903 73 R HN 0.751 8.840 8.270 -0.156 0.087 0.445 74 T N -4.413 110.028 114.554 -0.187 0.000 3.081 74 T HA 0.069 4.364 4.350 -0.091 0.000 0.250 74 T C 0.380 175.025 174.700 -0.092 0.000 1.100 74 T CA 0.124 62.161 62.100 -0.105 0.000 1.038 74 T CB 0.241 69.083 68.868 -0.044 0.000 0.962 74 T HN -0.233 7.918 8.240 -0.148 0.000 0.516 75 R N 0.893 121.324 120.500 -0.115 0.000 2.540 75 R HA 0.293 4.615 4.340 -0.029 0.000 0.287 75 R C -1.423 174.831 176.300 -0.076 0.000 0.980 75 R CA -2.066 53.993 56.100 -0.069 0.000 0.966 75 R CB 1.151 31.413 30.300 -0.063 0.000 1.106 75 R HN -0.715 7.466 8.270 -0.149 0.000 0.480 76 Y N 4.221 124.433 120.300 -0.147 0.000 2.488 76 Y HA 0.328 4.914 4.550 -0.212 -0.163 0.385 76 Y C 0.301 176.127 175.900 -0.122 0.000 1.371 76 Y CA -0.675 57.328 58.100 -0.160 0.000 1.712 76 Y CB 1.514 39.895 38.460 -0.133 0.000 1.715 76 Y HN 0.185 8.524 8.280 0.099 0.000 0.607 77 R N 0.544 120.670 120.500 -0.624 0.000 2.536 77 R HA 0.227 4.101 4.340 -0.777 0.000 0.269 77 R C -0.797 175.343 176.300 -0.266 0.000 1.113 77 R CA 0.692 56.496 56.100 -0.492 0.000 0.948 77 R CB 1.504 31.689 30.300 -0.191 0.000 1.237 77 R HN 0.237 8.224 8.270 -0.471 0.000 0.441 78 N N 1.666 120.251 118.700 -0.191 0.000 2.863 78 N HA -0.351 4.360 4.740 -0.049 0.000 0.245 78 N C -1.214 174.247 175.510 -0.083 0.000 1.001 78 N CA 1.571 54.568 53.050 -0.088 0.000 0.901 78 N CB -0.348 38.109 38.487 -0.051 0.000 1.124 78 N HN 0.647 8.907 8.380 -0.199 0.000 0.582 79 I N -3.696 116.776 120.570 -0.163 0.000 4.197 79 I HA -0.039 4.106 4.170 -0.042 0.000 0.307 79 I C -1.383 174.666 176.117 -0.113 0.000 1.236 79 I CA 0.030 61.235 61.300 -0.158 0.000 1.321 79 I CB 2.287 40.085 38.000 -0.336 0.000 1.309 79 I HN -0.364 7.615 8.210 -0.252 0.079 0.450 80 E N 0.697 120.792 120.200 -0.176 0.000 2.222 80 E HA 0.548 5.014 4.350 -0.028 -0.133 0.267 80 E C -1.005 175.570 176.600 -0.041 0.000 0.963 80 E CA -1.453 54.889 56.400 -0.097 0.000 0.837 80 E CB 2.608 32.218 29.700 -0.150 0.000 1.183 80 E HN -0.353 7.837 8.360 -0.283 0.000 0.403 81 K N 0.032 120.445 120.400 0.021 0.000 2.316 81 K HA 0.404 4.759 4.320 0.058 0.000 0.251 81 K C -1.758 174.874 176.600 0.055 0.000 0.934 81 K CA -1.319 54.999 56.287 0.051 0.000 0.802 81 K CB 3.639 36.176 32.500 0.063 0.000 1.171 81 K HN 0.574 8.843 8.250 0.032 0.000 0.426 82 I N 3.770 124.378 120.570 0.063 0.000 2.389 82 I HA 0.854 5.267 4.170 0.036 -0.221 0.288 82 I C -0.106 176.034 176.117 0.039 0.000 0.999 82 I CA -0.964 60.363 61.300 0.046 0.000 1.129 82 I CB 1.544 39.572 38.000 0.047 0.000 1.288 82 I HN 0.378 8.631 8.210 0.073 0.000 0.444 83 S N 7.380 123.103 115.700 0.038 0.000 2.648 83 S HA 0.464 4.946 4.470 0.019 0.000 0.305 83 S C -1.545 173.068 174.600 0.023 0.000 1.094 83 S CA -1.150 57.066 58.200 0.026 0.000 0.983 83 S CB 2.440 65.655 63.200 0.025 0.000 1.101 83 S HN 0.653 8.990 8.310 0.045 0.000 0.514 84 M N -0.393 119.210 119.600 0.007 0.000 2.706 84 M HA 0.184 4.673 4.480 0.014 0.000 0.304 84 M C -0.763 175.528 176.300 -0.015 0.000 1.217 84 M CA -0.704 54.597 55.300 0.002 0.000 0.922 84 M CB 2.099 34.696 32.600 -0.005 0.000 1.637 84 M HN 0.097 8.386 8.290 -0.001 0.000 0.492 85 L N -1.583 119.628 121.223 -0.020 0.000 2.344 85 L HA 0.239 4.668 4.340 -0.055 -0.122 0.272 85 L C -0.925 175.910 176.870 -0.058 0.000 1.035 85 L CA -0.472 54.343 54.840 -0.042 0.000 0.807 85 L CB 1.153 43.194 42.059 -0.030 0.000 1.237 85 L HN 0.519 8.742 8.230 -0.012 0.000 0.442 86 E N 1.122 121.270 120.200 -0.085 0.000 2.256 86 E HA 0.007 4.319 4.350 -0.064 0.000 0.198 86 E C -0.143 176.395 176.600 -0.104 0.000 0.908 86 E CA 0.878 57.229 56.400 -0.083 0.000 0.915 86 E CB 2.386 32.031 29.700 -0.092 0.000 0.890 86 E HN 0.728 8.924 8.360 -0.106 0.100 0.484 87 K N -2.683 117.639 120.400 -0.130 0.000 2.546 87 K HA 0.363 4.641 4.320 -0.250 -0.108 0.264 87 K C -2.331 174.133 176.600 -0.227 0.000 0.937 87 K CA -1.353 54.785 56.287 -0.248 0.000 0.833 87 K CB 4.627 36.916 32.500 -0.351 0.000 1.378 87 K HN -0.639 7.538 8.250 -0.122 0.000 0.432 88 I N 1.094 121.464 120.570 -0.332 0.000 2.474 88 I HA 0.563 4.938 4.170 0.061 -0.168 0.294 88 I C -0.754 175.194 176.117 -0.282 0.000 1.005 88 I CA -1.270 59.955 61.300 -0.124 0.000 1.113 88 I CB 2.632 40.599 38.000 -0.055 0.000 1.289 88 I HN 0.021 8.092 8.210 -0.416 -0.111 0.436 89 Y N 4.915 125.305 120.300 0.150 0.000 2.373 89 Y HA 0.234 4.864 4.550 0.134 0.000 0.336 89 Y C -1.544 174.557 175.900 0.335 0.000 0.979 89 Y CA -1.074 57.147 58.100 0.202 0.000 1.080 89 Y CB 2.819 41.401 38.460 0.203 0.000 1.190 89 Y HN 1.002 9.425 8.280 0.402 0.099 0.446 90 I N 2.041 122.849 120.570 0.397 0.000 2.525 90 I HA 0.219 4.533 4.170 0.239 0.000 0.301 90 I C -0.515 175.731 176.117 0.215 0.000 0.992 90 I CA -2.136 59.320 61.300 0.259 0.000 1.162 90 I CB 1.675 39.778 38.000 0.173 0.000 1.332 90 I HN 0.321 8.727 8.210 0.327 0.000 0.458 91 H N 6.826 125.722 119.070 -0.289 0.000 2.964 91 H HA 0.040 3.911 4.556 -1.141 0.000 0.328 91 H C 0.241 175.472 175.328 -0.162 0.000 1.030 91 H CA 0.299 55.906 56.048 -0.735 0.000 1.445 91 H CB 1.444 30.645 29.762 -0.934 0.000 1.449 91 H HN -0.339 7.861 8.280 -0.133 0.000 0.581 92 P HA -0.149 4.394 4.420 0.205 0.000 0.219 92 P C -0.144 177.297 177.300 0.236 0.000 1.146 92 P CA 1.497 64.725 63.100 0.212 0.000 0.808 92 P CB 0.483 32.275 31.700 0.153 0.000 0.779 93 R N -3.172 117.522 120.500 0.323 0.000 2.696 93 R HA 0.225 4.592 4.340 0.045 0.000 0.355 93 R C -0.584 175.684 176.300 -0.054 0.000 1.138 93 R CA -1.355 54.778 56.100 0.054 0.000 1.059 93 R CB -0.295 30.005 30.300 -0.000 0.000 1.380 93 R HN -0.320 8.441 8.270 0.882 0.039 0.578 94 Y N 3.632 123.887 120.300 -0.075 0.000 2.442 94 Y HA 0.153 4.899 4.550 -0.164 -0.294 0.330 94 Y C -0.743 175.141 175.900 -0.026 0.000 1.129 94 Y CA -1.181 56.883 58.100 -0.061 0.000 1.365 94 Y CB 0.492 38.988 38.460 0.060 0.000 1.233 94 Y HN -0.717 7.630 8.280 0.247 0.081 0.529 95 N N 7.458 125.992 118.700 -0.277 0.000 2.817 95 N HA 0.165 4.551 4.740 -0.590 0.000 0.234 95 N C -0.973 174.177 175.510 -0.600 0.000 1.066 95 N CA -1.857 50.903 53.050 -0.483 0.000 0.926 95 N CB -0.176 38.136 38.487 -0.291 0.000 1.176 95 N HN 0.700 8.963 8.380 -0.015 0.108 0.506 96 W N 2.956 123.793 121.300 -0.772 0.000 2.666 96 W HA 0.177 4.581 4.660 -0.427 0.000 0.445 96 W C -0.793 175.546 176.519 -0.301 0.000 0.693 96 W CA -2.753 54.265 57.345 -0.546 0.000 2.192 96 W CB -2.201 26.955 29.460 -0.507 0.000 1.086 96 W HN 0.248 7.655 8.180 -1.288 0.000 0.747 97 E N 2.762 122.741 120.200 -0.369 0.000 2.164 97 E HA -0.536 3.666 4.350 -0.245 0.000 0.233 97 E C -0.306 176.120 176.600 -0.291 0.000 1.073 97 E CA 3.424 59.657 56.400 -0.279 0.000 0.941 97 E CB 0.038 29.587 29.700 -0.252 0.000 0.820 97 E HN -0.737 7.557 8.360 -0.441 -0.199 0.486 98 N N -4.832 113.692 118.700 -0.294 0.000 2.241 98 N HA -0.033 4.399 4.740 -0.513 0.000 0.238 98 N C -0.684 174.630 175.510 -0.327 0.000 1.244 98 N CA -0.762 52.061 53.050 -0.377 0.000 0.880 98 N CB 0.061 38.358 38.487 -0.316 0.000 1.179 98 N HN -0.204 8.016 8.380 -0.266 0.000 0.513 99 L N -3.419 117.695 121.223 -0.182 0.000 3.533 99 L HA -0.476 4.058 4.340 0.182 -0.085 0.477 99 L C -1.982 174.972 176.870 0.140 0.000 1.306 99 L CA 0.652 55.529 54.840 0.063 0.000 0.850 99 L CB -2.797 39.308 42.059 0.078 0.000 1.654 99 L HN 0.096 8.200 8.230 -0.210 0.000 0.863 100 D N -0.850 119.576 120.400 0.044 0.000 2.264 100 D HA 0.075 4.768 4.640 0.089 0.000 0.250 100 D C -0.035 176.301 176.300 0.060 0.000 1.113 100 D CA -0.307 53.717 54.000 0.039 0.000 0.871 100 D CB 1.521 42.292 40.800 -0.049 0.000 1.167 100 D HN -0.793 7.545 8.370 -0.052 0.000 0.447 101 R N -0.457 120.063 120.500 0.034 0.000 3.184 101 R HA -0.440 3.863 4.340 -0.062 0.000 0.257 101 R C -1.676 174.646 176.300 0.036 0.000 0.999 101 R CA 0.798 56.846 56.100 -0.087 0.000 0.670 101 R CB -1.764 28.245 30.300 -0.485 0.000 1.197 101 R HN 0.590 8.899 8.270 0.067 0.000 0.419 102 D N -0.899 119.577 120.400 0.126 0.000 2.558 102 D HA 0.044 4.616 4.640 -0.114 0.000 0.221 102 D C -2.008 174.304 176.300 0.020 0.000 1.143 102 D CA -0.250 53.799 54.000 0.081 0.000 1.010 102 D CB -0.419 40.546 40.800 0.274 0.000 1.068 102 D HN 0.024 8.484 8.370 0.150 0.000 0.511 103 I N 2.834 123.366 120.570 -0.064 0.000 2.752 103 I HA 0.639 5.021 4.170 0.103 -0.150 0.295 103 I C -3.239 172.923 176.117 0.075 0.000 1.219 103 I CA -1.472 59.864 61.300 0.060 0.000 1.030 103 I CB 4.127 42.214 38.000 0.144 0.000 1.259 103 I HN -0.537 7.545 8.210 -0.171 0.026 0.423 104 A N 5.515 128.469 122.820 0.223 0.000 2.594 104 A HA 0.829 5.543 4.320 0.493 -0.099 0.295 104 A C -2.860 174.967 177.584 0.405 0.000 1.071 104 A CA -1.328 50.910 52.037 0.335 0.000 0.685 104 A CB 3.964 23.064 19.000 0.167 0.000 1.285 104 A HN 0.559 8.843 8.150 0.225 0.000 0.405 105 L N 0.004 121.521 121.223 0.489 0.000 2.365 105 L HA 0.892 5.656 4.340 0.398 -0.185 0.273 105 L C -1.226 175.945 176.870 0.502 0.000 1.000 105 L CA -1.610 53.507 54.840 0.461 0.000 0.819 105 L CB 4.162 46.428 42.059 0.346 0.000 1.284 105 L HN 0.707 9.288 8.230 0.585 0.000 0.418 106 M N 0.576 120.425 119.600 0.414 0.000 2.393 106 M HA 0.768 5.578 4.480 0.228 -0.194 0.316 106 M C -1.598 174.729 176.300 0.046 0.000 1.087 106 M CA -1.212 54.224 55.300 0.227 0.000 0.937 106 M CB 3.401 36.080 32.600 0.132 0.000 1.668 106 M HN 0.648 9.188 8.290 0.416 0.000 0.438 107 K N 3.572 123.856 120.400 -0.194 0.000 2.185 107 K HA 0.719 4.476 4.320 -1.218 -0.167 0.269 107 K C -1.399 174.987 176.600 -0.357 0.000 0.987 107 K CA -1.671 54.177 56.287 -0.731 0.000 0.865 107 K CB 3.080 35.122 32.500 -0.763 0.000 1.090 107 K HN 0.888 8.996 8.250 -0.058 0.108 0.450 108 L N 5.699 126.723 121.223 -0.332 0.000 2.399 108 L HA 0.250 4.669 4.340 -0.109 -0.144 0.266 108 L C 0.219 177.004 176.870 -0.141 0.000 1.114 108 L CA -0.184 54.561 54.840 -0.158 0.000 0.804 108 L CB 0.419 42.421 42.059 -0.095 0.000 1.146 108 L HN 0.612 8.459 8.230 -0.457 0.108 0.451 109 K N 0.224 120.574 120.400 -0.085 0.000 2.001 109 K HA -0.330 3.949 4.320 -0.068 0.000 0.214 109 K C 0.248 176.812 176.600 -0.059 0.000 1.050 109 K CA 2.294 58.544 56.287 -0.063 0.000 0.934 109 K CB 0.528 33.006 32.500 -0.038 0.000 0.718 109 K HN 0.408 8.516 8.250 -0.065 0.104 0.443 110 K N -4.153 116.218 120.400 -0.049 0.000 2.328 110 K HA 0.343 4.638 4.320 -0.042 0.000 0.246 110 K C -2.983 173.592 176.600 -0.042 0.000 0.955 110 K CA -2.690 53.573 56.287 -0.040 0.000 0.817 110 K CB 1.111 33.595 32.500 -0.026 0.000 1.208 110 K HN -0.086 8.139 8.250 -0.042 0.000 0.432 111 P HA 0.010 4.583 4.420 -0.029 -0.170 0.272 111 P C -1.168 176.112 177.300 -0.032 0.000 1.230 111 P CA -0.514 62.563 63.100 -0.038 0.000 0.788 111 P CB 0.456 32.125 31.700 -0.050 0.000 0.949 112 V N 1.077 120.986 119.914 -0.008 0.000 2.850 112 V HA 0.183 4.305 4.120 0.003 0.000 0.315 112 V C -1.745 174.297 176.094 -0.087 0.000 1.064 112 V CA -2.613 59.696 62.300 0.015 0.000 0.979 112 V CB 2.429 34.318 31.823 0.110 0.000 1.039 112 V HN -0.002 8.098 8.190 0.023 0.103 0.452 113 A N 5.231 128.012 122.820 -0.064 0.000 2.312 113 A HA 0.120 4.186 4.320 -0.423 0.000 0.326 113 A C -1.112 176.476 177.584 0.007 0.000 1.172 113 A CA -0.674 51.255 52.037 -0.179 0.000 0.821 113 A CB 1.444 20.392 19.000 -0.087 0.000 1.166 113 A HN 0.042 8.194 8.150 0.002 0.000 0.493 114 F N -0.349 119.590 119.950 -0.017 0.000 2.370 114 F HA 0.038 4.637 4.527 0.005 -0.069 0.319 114 F C -0.515 175.318 175.800 0.055 0.000 1.129 114 F CA -2.105 55.884 58.000 -0.017 0.000 1.109 114 F CB 0.690 39.558 39.000 -0.219 0.000 1.262 114 F HN -0.072 7.928 8.300 -0.501 0.000 0.534 115 S N -0.981 114.907 115.700 0.314 0.000 3.070 115 S HA 0.297 4.834 4.470 0.111 0.000 0.320 115 S C -0.697 173.925 174.600 0.036 0.000 1.215 115 S CA -0.788 57.491 58.200 0.132 0.000 0.956 115 S CB 2.160 65.424 63.200 0.107 0.000 1.337 115 S HN 0.453 8.994 8.310 0.385 0.000 0.639 116 D N -1.037 119.196 120.400 -0.278 0.000 2.323 116 D HA 0.042 4.488 4.640 -0.324 0.000 0.209 116 D C 0.832 176.798 176.300 -0.555 0.000 0.973 116 D CA 2.323 56.016 54.000 -0.511 0.000 0.874 116 D CB 0.087 40.384 40.800 -0.838 0.000 0.930 116 D HN 0.466 8.633 8.370 -0.338 0.000 0.521 117 Y N -3.368 116.934 120.300 0.003 0.000 2.442 117 Y HA 0.071 4.569 4.550 -0.088 0.000 0.250 117 Y C -0.245 175.657 175.900 0.004 0.000 1.113 117 Y CA -0.477 57.605 58.100 -0.030 0.000 1.273 117 Y CB 1.516 39.961 38.460 -0.025 0.000 1.138 117 Y HN -0.299 7.782 8.280 -0.249 0.050 0.522 118 I N -0.779 119.904 120.570 0.190 0.000 2.447 118 I HA 0.379 4.823 4.170 0.130 -0.196 0.287 118 I C -1.603 174.620 176.117 0.176 0.000 1.023 118 I CA -0.903 60.505 61.300 0.180 0.000 1.083 118 I CB 2.094 40.230 38.000 0.227 0.000 1.245 118 I HN -0.594 7.621 8.210 0.184 0.105 0.434 119 H N 7.137 126.140 119.070 -0.112 0.000 3.112 119 H HA 0.329 4.403 4.556 -0.802 0.000 0.347 119 H C -3.053 172.180 175.328 -0.158 0.000 1.188 119 H CA -0.941 54.912 56.048 -0.325 0.000 1.240 119 H CB 4.284 33.966 29.762 -0.133 0.000 1.920 119 H HN -0.184 8.052 8.280 0.077 0.090 0.535 120 P HA 0.198 4.802 4.420 0.086 -0.133 0.278 120 P C -1.675 175.654 177.300 0.049 0.000 1.258 120 P CA -0.992 62.071 63.100 -0.062 0.000 0.811 120 P CB 1.895 33.489 31.700 -0.177 0.000 1.063 121 V N -1.289 118.568 119.914 -0.095 0.000 2.975 121 V HA 0.156 3.919 4.120 -0.594 0.000 0.318 121 V C -0.509 175.426 176.094 -0.264 0.000 1.077 121 V CA -1.983 60.033 62.300 -0.474 0.000 1.000 121 V CB 3.128 34.376 31.823 -0.957 0.000 1.066 121 V HN -0.022 8.147 8.190 -0.035 0.000 0.452 122 C N 4.970 124.076 119.300 -0.322 0.000 2.398 122 C HA 0.206 4.622 4.460 -0.073 0.000 0.364 122 C C -0.873 174.160 174.990 0.070 0.000 1.219 122 C CA 0.192 59.117 59.018 -0.155 0.000 2.312 122 C CB 0.548 28.030 27.740 -0.430 0.000 2.428 122 C HN -0.068 7.875 8.230 -0.479 0.000 0.564 123 L N 1.782 123.109 121.223 0.174 0.000 2.322 123 L HA 0.485 4.948 4.340 0.206 0.000 0.279 123 L C -0.941 176.104 176.870 0.292 0.000 1.036 123 L CA -2.218 52.751 54.840 0.214 0.000 0.807 123 L CB 0.992 43.143 42.059 0.152 0.000 1.226 123 L HN 0.296 8.611 8.230 0.141 0.000 0.433 124 P HA 0.164 4.424 4.420 -0.267 0.000 0.278 124 P C -2.066 175.249 177.300 0.025 0.000 1.258 124 P CA -1.044 62.028 63.100 -0.046 0.000 0.811 124 P CB 0.926 32.550 31.700 -0.128 0.000 1.063 125 D N -1.634 118.650 120.400 -0.194 0.000 2.350 125 D HA 0.162 4.905 4.640 0.173 0.000 0.238 125 D C 0.933 176.918 176.300 -0.524 0.000 0.989 125 D CA -2.499 51.432 54.000 -0.115 0.000 0.921 125 D CB 3.105 43.858 40.800 -0.078 0.000 1.297 125 D HN -0.130 8.005 8.370 -0.391 0.000 0.490 126 R N 0.486 120.681 120.500 -0.509 0.000 2.165 126 R HA -0.542 2.785 4.340 -1.689 0.000 0.254 126 R C 1.647 177.647 176.300 -0.501 0.000 1.153 126 R CA 4.516 60.183 56.100 -0.723 0.000 0.971 126 R CB 0.142 30.393 30.300 -0.081 0.000 0.878 126 R HN 0.624 8.891 8.270 -0.004 0.000 0.449 127 E N -4.658 115.352 120.200 -0.317 0.000 2.158 127 E HA -0.093 4.133 4.350 -0.206 0.000 0.191 127 E C 0.144 176.571 176.600 -0.288 0.000 0.982 127 E CA 1.823 58.078 56.400 -0.242 0.000 0.823 127 E CB -0.016 29.589 29.700 -0.158 0.000 0.766 127 E HN -0.171 8.195 8.360 -0.255 -0.159 0.468 128 T N 1.797 116.121 114.554 -0.383 0.000 2.799 128 T HA -0.134 4.013 4.350 -0.338 0.000 0.296 128 T C 0.050 174.518 174.700 -0.387 0.000 0.947 128 T CA 2.789 64.629 62.100 -0.433 0.000 1.141 128 T CB -0.472 67.958 68.868 -0.730 0.000 0.891 128 T HN -0.276 7.852 8.240 -0.411 -0.135 0.533 129 L N 1.012 122.219 121.223 -0.027 0.000 2.462 129 L HA -0.402 4.151 4.340 0.356 0.000 0.463 129 L C -0.592 176.288 176.870 0.017 0.000 0.716 129 L CA 1.813 56.713 54.840 0.099 0.000 2.997 129 L CB -1.726 40.323 42.059 -0.017 0.000 0.811 129 L HN 0.730 8.889 8.230 -0.118 0.000 0.710 130 L N 0.002 121.130 121.223 -0.157 0.000 2.384 130 L HA -0.001 4.170 4.340 -0.282 0.000 0.258 130 L C -0.714 175.968 176.870 -0.314 0.000 1.266 130 L CA 0.329 55.005 54.840 -0.274 0.000 1.162 130 L CB -1.569 40.287 42.059 -0.339 0.000 1.375 130 L HN -0.072 8.059 8.230 -0.165 0.000 0.420 131 Q N 1.170 120.694 119.800 -0.461 0.000 2.387 131 Q HA 0.232 4.330 4.340 -0.403 0.000 0.273 131 Q C -1.335 174.368 176.000 -0.495 0.000 1.089 131 Q CA -2.205 53.229 55.803 -0.616 0.000 0.824 131 Q CB 4.309 32.367 28.738 -1.133 0.000 1.367 131 Q HN -0.136 7.839 8.270 -0.419 0.043 0.443 132 A N 0.848 123.466 122.820 -0.337 0.000 2.450 132 A HA -0.035 4.322 4.320 -0.164 -0.136 0.255 132 A C 0.373 177.870 177.584 -0.145 0.000 1.096 132 A CA 0.882 52.802 52.037 -0.195 0.000 0.778 132 A CB -0.158 18.758 19.000 -0.141 0.000 1.031 132 A HN 0.244 8.208 8.150 -0.310 0.000 0.494 133 G N 3.211 111.988 108.800 -0.039 0.000 2.259 133 G HA2 -0.242 3.743 3.960 0.041 0.000 0.217 133 G HA3 -0.242 3.770 3.960 0.087 0.000 0.217 133 G C -0.474 174.556 174.900 0.217 0.000 1.001 133 G CA -0.304 44.839 45.100 0.072 0.000 0.627 133 G HN 0.224 8.483 8.290 -0.051 0.000 0.501 134 Y N 1.866 122.137 120.300 -0.048 0.000 2.346 134 Y HA -0.042 4.484 4.550 -0.039 0.000 0.330 134 Y C -0.596 175.291 175.900 -0.022 0.000 1.178 134 Y CA -1.322 56.752 58.100 -0.043 0.000 1.331 134 Y CB 0.657 39.079 38.460 -0.063 0.000 1.253 134 Y HN -0.590 7.694 8.280 0.143 0.082 0.529 135 K N 0.637 121.094 120.400 0.096 0.000 2.118 135 K HA 0.474 5.022 4.320 0.088 -0.175 0.254 135 K C -0.439 176.165 176.600 0.008 0.000 0.961 135 K CA -1.201 55.120 56.287 0.056 0.000 0.876 135 K CB 2.879 35.391 32.500 0.019 0.000 1.077 135 K HN 0.065 8.328 8.250 0.022 0.000 0.440 136 G N -1.393 107.366 108.800 -0.069 0.000 2.816 136 G HA2 0.661 4.472 3.960 -0.398 0.000 0.288 136 G HA3 0.661 3.712 3.960 -1.516 0.000 0.288 136 G C -2.695 171.900 174.900 -0.508 0.000 1.334 136 G CA -1.361 43.377 45.100 -0.604 0.000 0.978 136 G HN 0.051 8.361 8.290 0.034 0.000 0.493 137 R N -1.066 119.071 120.500 -0.606 0.000 2.686 137 R HA 0.903 5.342 4.340 -0.137 -0.180 0.283 137 R C -2.038 174.127 176.300 -0.225 0.000 0.978 137 R CA -1.163 54.796 56.100 -0.235 0.000 0.897 137 R CB 4.205 34.482 30.300 -0.039 0.000 1.192 137 R HN 0.005 7.768 8.270 -0.844 0.000 0.457 138 V N 4.974 124.861 119.914 -0.045 0.000 2.914 138 V HA 1.066 5.463 4.120 0.070 -0.234 0.314 138 V C -1.122 174.982 176.094 0.018 0.000 1.084 138 V CA -2.359 59.979 62.300 0.065 0.000 0.963 138 V CB 4.020 35.979 31.823 0.225 0.000 1.025 138 V HN 0.956 9.139 8.190 -0.011 0.000 0.432 139 T N -0.857 113.697 114.554 -0.000 0.000 2.864 139 T HA 0.915 5.377 4.350 -0.114 -0.180 0.299 139 T C -1.145 173.461 174.700 -0.158 0.000 1.166 139 T CA -2.369 59.661 62.100 -0.116 0.000 1.007 139 T CB 3.603 72.361 68.868 -0.183 0.000 1.219 139 T HN -0.162 8.107 8.240 0.048 0.000 0.506 140 G N -0.743 107.863 108.800 -0.324 0.000 2.328 140 G HA2 0.154 3.804 3.960 -0.518 0.000 0.299 140 G HA3 0.154 4.210 3.960 -0.112 -0.163 0.299 140 G C -2.206 172.472 174.900 -0.370 0.000 1.435 140 G CA 0.629 45.523 45.100 -0.344 0.000 0.865 140 G HN -0.330 7.730 8.290 -0.384 0.000 0.601 141 W N 0.989 122.311 121.300 0.037 0.000 2.937 141 W HA 0.379 5.042 4.660 0.004 0.000 0.435 141 W C -0.552 175.989 176.519 0.037 0.000 0.912 141 W CA -1.375 55.984 57.345 0.023 0.000 2.209 141 W CB -0.306 29.168 29.460 0.023 0.000 1.144 141 W HN 0.558 8.837 8.180 0.164 0.000 0.762 142 G N 0.462 109.370 108.800 0.181 0.000 2.535 142 G HA2 0.141 4.195 3.960 0.156 0.000 0.303 142 G HA3 0.141 4.296 3.960 0.120 -0.123 0.303 142 G C -0.838 174.127 174.900 0.108 0.000 1.237 142 G CA -1.021 44.163 45.100 0.140 0.000 0.986 142 G HN -0.437 8.018 8.290 0.112 -0.098 0.494 143 N N -1.444 117.311 118.700 0.091 0.000 2.283 143 N HA -0.317 4.622 4.740 0.071 -0.157 0.236 143 N C 0.010 175.558 175.510 0.063 0.000 1.252 143 N CA 1.090 54.184 53.050 0.072 0.000 0.856 143 N CB 0.052 38.577 38.487 0.063 0.000 1.099 143 N HN 0.169 8.605 8.380 0.093 0.000 0.444 144 L N -2.074 119.182 121.223 0.054 0.000 2.513 144 L HA 0.181 4.823 4.340 0.046 -0.275 0.222 144 L C 0.559 177.454 176.870 0.040 0.000 1.096 144 L CA 0.506 55.373 54.840 0.045 0.000 0.857 144 L CB 0.954 43.036 42.059 0.040 0.000 1.026 144 L HN 0.055 8.317 8.230 0.053 0.000 0.469 145 K N -4.537 115.888 120.400 0.040 0.000 2.533 145 K HA 0.168 4.508 4.320 0.035 0.000 0.272 145 K C -1.121 175.502 176.600 0.037 0.000 0.985 145 K CA -0.761 55.547 56.287 0.035 0.000 0.876 145 K CB 2.551 35.068 32.500 0.029 0.000 1.452 145 K HN -0.680 7.559 8.250 0.043 0.036 0.439 146 E N 0.771 120.991 120.200 0.034 0.000 2.077 146 E HA -0.257 4.118 4.350 0.042 0.000 0.193 146 E C -0.037 176.583 176.600 0.033 0.000 0.989 146 E CA 2.459 58.881 56.400 0.036 0.000 0.800 146 E CB 0.525 30.244 29.700 0.032 0.000 0.746 146 E HN 0.447 8.826 8.360 0.031 0.000 0.452 156 Q N -0.340 119.488 119.800 0.047 0.000 2.397 156 Q HA 0.275 4.659 4.340 0.074 0.000 0.275 156 Q C -2.419 173.620 176.000 0.064 0.000 1.090 156 Q CA -2.774 53.067 55.803 0.064 0.000 0.809 156 Q CB 2.557 31.331 28.738 0.060 0.000 1.362 156 Q HN -0.293 8.001 8.270 0.040 0.000 0.431 157 P HA 0.402 4.854 4.420 0.053 0.000 0.285 157 P C -0.658 176.692 177.300 0.083 0.000 1.285 157 P CA -1.838 61.309 63.100 0.078 0.000 0.854 157 P CB 2.421 34.173 31.700 0.086 0.000 1.180 158 S N -1.643 114.089 115.700 0.053 0.000 2.475 158 S HA 0.000 4.483 4.470 0.021 0.000 0.224 158 S C -0.065 174.551 174.600 0.026 0.000 1.042 158 S CA 1.806 60.022 58.200 0.026 0.000 0.935 158 S CB 0.469 63.672 63.200 0.006 0.000 0.801 158 S HN 0.385 8.718 8.310 0.038 0.000 0.509 159 V N 0.647 120.570 119.914 0.015 0.000 2.994 159 V HA 0.413 4.655 4.120 -0.106 -0.185 0.318 159 V C -0.474 175.636 176.094 0.027 0.000 1.085 159 V CA -1.040 61.199 62.300 -0.102 0.000 0.998 159 V CB 3.346 35.021 31.823 -0.247 0.000 1.063 159 V HN -0.763 7.438 8.190 0.018 0.000 0.447 160 L N 3.477 124.651 121.223 -0.082 0.000 2.485 160 L HA -0.069 3.733 4.340 -0.896 0.000 0.275 160 L C -1.400 175.311 176.870 -0.265 0.000 1.207 160 L CA 0.860 55.426 54.840 -0.457 0.000 0.855 160 L CB 0.893 42.643 42.059 -0.515 0.000 1.114 160 L HN -0.042 8.048 8.230 -0.233 0.000 0.485 161 Q N 2.885 122.523 119.800 -0.269 0.000 2.297 161 Q HA 0.887 5.347 4.340 -0.088 -0.172 0.268 161 Q C -0.652 175.270 176.000 -0.130 0.000 1.045 161 Q CA -2.145 53.580 55.803 -0.129 0.000 0.861 161 Q CB 3.719 32.418 28.738 -0.066 0.000 1.344 161 Q HN 0.059 8.094 8.270 -0.392 0.000 0.452 162 V N -0.957 118.917 119.914 -0.067 0.000 2.925 162 V HA 0.837 5.134 4.120 -0.061 -0.213 0.311 162 V C -1.960 174.135 176.094 0.002 0.000 1.104 162 V CA -1.542 60.729 62.300 -0.048 0.000 0.954 162 V CB 3.397 35.185 31.823 -0.059 0.000 1.022 162 V HN 0.747 8.912 8.190 -0.042 0.000 0.427 163 V N 1.983 121.913 119.914 0.026 0.000 3.048 163 V HA 0.264 4.426 4.120 0.071 0.000 0.303 163 V C -2.814 173.323 176.094 0.073 0.000 1.214 163 V CA -1.821 60.523 62.300 0.072 0.000 0.984 163 V CB 4.604 36.489 31.823 0.103 0.000 1.054 163 V HN 0.344 8.543 8.190 0.015 0.000 0.430 164 N N 6.265 125.027 118.700 0.104 0.000 2.407 164 N HA 0.647 5.579 4.740 0.018 -0.182 0.277 164 N C -1.575 174.004 175.510 0.116 0.000 0.995 164 N CA -0.915 52.182 53.050 0.079 0.000 0.903 164 N CB 1.420 39.959 38.487 0.086 0.000 1.218 164 N HN 0.186 8.648 8.380 0.137 0.000 0.487 165 L N 1.540 122.799 121.223 0.059 0.000 2.362 165 L HA 0.597 4.772 4.340 -0.275 0.000 0.271 165 L C -2.265 174.546 176.870 -0.098 0.000 1.002 165 L CA -3.841 50.954 54.840 -0.075 0.000 0.818 165 L CB 2.784 44.880 42.059 0.061 0.000 1.298 165 L HN 0.120 8.380 8.230 0.051 0.000 0.420 166 P HA 0.096 4.676 4.420 -0.032 -0.179 0.271 166 P C -0.702 176.557 177.300 -0.067 0.000 1.218 166 P CA -0.583 62.425 63.100 -0.154 0.000 0.780 166 P CB 0.565 32.123 31.700 -0.237 0.000 0.901 167 I N 1.290 121.854 120.570 -0.010 0.000 2.472 167 I HA -0.037 4.108 4.170 -0.041 0.000 0.290 167 I C -0.212 175.841 176.117 -0.106 0.000 1.016 167 I CA 0.290 61.561 61.300 -0.049 0.000 1.348 167 I CB 1.387 39.338 38.000 -0.082 0.000 1.417 167 I HN 0.064 8.289 8.210 0.026 0.000 0.521 168 V N 6.193 126.013 119.914 -0.156 0.000 2.547 168 V HA 0.205 4.219 4.120 -0.176 0.000 0.299 168 V C -0.631 175.352 176.094 -0.184 0.000 1.040 168 V CA -1.425 60.742 62.300 -0.223 0.000 0.913 168 V CB 2.272 33.825 31.823 -0.452 0.000 0.992 168 V HN 0.243 8.345 8.190 -0.147 0.000 0.449 169 E N 5.348 125.455 120.200 -0.155 0.000 2.529 169 E HA -0.199 4.095 4.350 -0.094 0.000 0.259 169 E C 0.871 177.415 176.600 -0.093 0.000 0.966 169 E CA 1.130 57.467 56.400 -0.105 0.000 0.937 169 E CB 0.187 29.838 29.700 -0.081 0.000 0.923 169 E HN 0.297 8.565 8.360 -0.153 0.000 0.468 170 R N 5.480 125.953 120.500 -0.045 0.000 2.096 170 R HA -0.339 4.006 4.340 0.008 0.000 0.240 170 R C -0.166 176.141 176.300 0.011 0.000 1.139 170 R CA 5.272 61.373 56.100 0.001 0.000 0.952 170 R CB -2.526 27.794 30.300 0.034 0.000 0.854 170 R HN 0.532 8.778 8.270 -0.040 0.000 0.436 171 P HA -0.151 4.288 4.420 0.031 0.000 0.216 171 P C 1.337 178.647 177.300 0.017 0.000 1.154 171 P CA 3.089 66.199 63.100 0.016 0.000 0.865 171 P CB -0.705 30.999 31.700 0.007 0.000 0.789 172 V N -1.453 118.447 119.914 -0.023 0.000 2.427 172 V HA -0.396 3.736 4.120 0.021 0.000 0.248 172 V C 2.179 178.246 176.094 -0.045 0.000 1.051 172 V CA 3.886 66.162 62.300 -0.040 0.000 1.048 172 V CB -0.385 31.367 31.823 -0.119 0.000 0.666 172 V HN -0.550 7.598 8.190 -0.044 0.016 0.456 173 c N -0.767 117.782 118.600 -0.085 0.000 2.429 173 c HA -0.311 4.207 4.570 -0.086 0.000 0.277 173 c C 2.731 176.984 174.090 0.273 0.000 1.262 173 c CA 3.185 59.535 56.329 0.035 0.000 1.733 173 c CB -2.222 40.316 42.510 0.045 0.000 2.010 173 c HN -0.427 7.651 8.230 -0.100 0.093 0.483 174 K N 0.690 121.197 120.400 0.178 0.000 2.025 174 K HA -0.263 4.167 4.320 0.184 0.000 0.207 174 K C 2.279 178.963 176.600 0.140 0.000 1.049 174 K CA 3.392 59.773 56.287 0.158 0.000 0.933 174 K CB -0.236 32.325 32.500 0.101 0.000 0.714 174 K HN 0.136 8.366 8.250 0.112 0.087 0.438 175 D N -3.244 117.227 120.400 0.119 0.000 2.379 175 D HA -0.041 4.654 4.640 0.091 0.000 0.243 175 D C 0.344 176.732 176.300 0.147 0.000 1.088 175 D CA 1.925 55.991 54.000 0.110 0.000 0.925 175 D CB -0.919 39.932 40.800 0.086 0.000 0.888 175 D HN -0.031 8.399 8.370 0.100 0.000 0.529 176 S N -3.836 111.989 115.700 0.209 0.000 2.540 176 S HA 0.023 4.615 4.470 0.202 0.000 0.222 176 S C -0.613 174.121 174.600 0.223 0.000 1.008 176 S CA 0.594 58.947 58.200 0.255 0.000 0.939 176 S CB 2.174 65.647 63.200 0.454 0.000 0.865 176 S HN -0.490 7.832 8.310 0.226 0.123 0.499 177 T N 0.883 115.552 114.554 0.191 0.000 2.812 177 T HA 0.245 4.671 4.350 0.127 0.000 0.294 177 T C -1.292 173.447 174.700 0.064 0.000 1.159 177 T CA -1.008 61.175 62.100 0.139 0.000 1.008 177 T CB 2.421 71.405 68.868 0.193 0.000 1.289 177 T HN -0.565 7.783 8.240 0.180 0.000 0.514 178 R N 0.754 121.264 120.500 0.016 0.000 2.397 178 R HA 0.207 4.545 4.340 -0.004 0.000 0.241 178 R C -0.074 176.185 176.300 -0.068 0.000 0.914 178 R CA -0.230 55.859 56.100 -0.019 0.000 1.071 178 R CB 0.718 30.999 30.300 -0.031 0.000 1.116 178 R HN 0.324 8.601 8.270 0.012 0.000 0.524 179 I N 0.446 120.954 120.570 -0.103 0.000 2.532 179 I HA -0.073 3.975 4.170 -0.203 0.000 0.292 179 I C -0.824 175.215 176.117 -0.131 0.000 1.014 179 I CA -0.817 60.360 61.300 -0.205 0.000 1.340 179 I CB 1.015 38.751 38.000 -0.440 0.000 1.422 179 I HN -0.245 7.859 8.210 -0.062 0.069 0.528 180 R N 4.451 124.871 120.500 -0.134 0.000 2.267 180 R HA -0.065 4.251 4.340 -0.040 0.000 0.319 180 R C -0.999 175.273 176.300 -0.048 0.000 1.067 180 R CA -0.120 55.937 56.100 -0.072 0.000 0.936 180 R CB -0.068 30.186 30.300 -0.077 0.000 1.006 180 R HN 0.143 8.309 8.270 -0.173 0.000 0.452 181 I N 5.814 126.392 120.570 0.014 0.000 2.428 181 I HA 0.050 4.277 4.170 0.095 0.000 0.289 181 I C 0.071 176.232 176.117 0.074 0.000 1.019 181 I CA -2.353 58.996 61.300 0.083 0.000 1.351 181 I CB -0.082 38.009 38.000 0.152 0.000 1.412 181 I HN 0.202 8.425 8.210 0.023 0.000 0.513 182 T N 1.026 115.635 114.554 0.092 0.000 2.870 182 T HA 0.254 4.628 4.350 0.040 0.000 0.277 182 T C 0.052 174.808 174.700 0.094 0.000 1.000 182 T CA -2.428 59.709 62.100 0.063 0.000 0.982 182 T CB 3.018 71.908 68.868 0.036 0.000 1.249 182 T HN -0.315 8.003 8.240 0.130 0.000 0.589 183 D N -1.514 118.921 120.400 0.059 0.000 2.349 183 D HA -0.028 4.666 4.640 0.090 0.000 0.224 183 D C -0.211 176.129 176.300 0.066 0.000 1.029 183 D CA 1.220 55.254 54.000 0.056 0.000 0.879 183 D CB -0.685 40.116 40.800 0.001 0.000 0.906 183 D HN 0.328 8.717 8.370 0.032 0.000 0.528 184 N N -1.433 117.325 118.700 0.097 0.000 2.327 184 N HA 0.090 4.900 4.740 0.117 0.000 0.231 184 N C -1.644 174.026 175.510 0.267 0.000 1.130 184 N CA -0.323 52.815 53.050 0.146 0.000 0.845 184 N CB 0.406 38.946 38.487 0.088 0.000 1.073 184 N HN -0.505 7.849 8.380 0.086 0.078 0.496 185 M N -2.737 117.049 119.600 0.311 0.000 2.569 185 M HA 0.823 5.681 4.480 0.247 -0.230 0.279 185 M C -2.272 174.241 176.300 0.356 0.000 1.253 185 M CA -0.414 55.065 55.300 0.299 0.000 0.867 185 M CB 5.447 38.240 32.600 0.323 0.000 1.727 185 M HN -0.877 7.498 8.290 0.288 0.088 0.467 186 F N -3.829 116.195 119.950 0.123 0.000 2.662 186 F HA 0.645 5.183 4.527 0.018 0.000 0.312 186 F C -3.028 172.636 175.800 -0.226 0.000 1.113 186 F CA -1.590 56.389 58.000 -0.035 0.000 0.951 186 F CB 2.642 41.557 39.000 -0.142 0.000 1.344 186 F HN -0.124 8.046 8.300 -0.217 0.000 0.462 187 c N -2.703 115.695 118.600 -0.336 0.000 2.779 187 c HA 1.135 5.342 4.570 -0.910 -0.184 0.314 187 c C -1.834 172.054 174.090 -0.337 0.000 1.231 187 c CA -4.010 51.859 56.329 -0.768 0.000 1.652 187 c CB 3.928 45.624 42.510 -1.357 0.000 2.198 187 c HN 0.407 8.571 8.230 -0.109 0.000 0.483 188 A N 0.009 122.704 122.820 -0.209 0.000 2.539 188 A HA 0.896 5.230 4.320 -0.105 -0.077 0.296 188 A C -1.894 175.745 177.584 0.092 0.000 1.073 188 A CA -1.338 50.665 52.037 -0.056 0.000 0.700 188 A CB 3.081 22.039 19.000 -0.069 0.000 1.296 188 A HN 0.562 8.581 8.150 -0.217 0.000 0.405 189 G N 0.187 109.030 108.800 0.071 0.000 2.352 189 G HA2 0.020 4.010 3.960 0.050 0.000 0.302 189 G HA3 0.020 4.161 3.960 0.302 0.000 0.302 189 G C -2.296 172.655 174.900 0.085 0.000 1.370 189 G CA 0.571 45.757 45.100 0.142 0.000 0.918 189 G HN 0.247 8.513 8.290 -0.039 0.000 0.610 190 Y N 0.021 120.438 120.300 0.194 0.000 2.320 190 Y HA -0.012 4.786 4.550 0.159 -0.152 0.324 190 Y C 0.659 176.668 175.900 0.182 0.000 1.190 190 Y CA -0.814 57.382 58.100 0.159 0.000 1.215 190 Y CB 1.715 40.230 38.460 0.092 0.000 1.221 190 Y HN 0.185 8.661 8.280 0.327 0.000 0.486 191 K N 0.210 120.818 120.400 0.346 0.000 2.365 191 K HA -0.128 4.385 4.320 0.321 0.000 0.199 191 K C 0.994 177.690 176.600 0.160 0.000 1.045 191 K CA -0.390 56.053 56.287 0.261 0.000 0.962 191 K CB -0.221 32.400 32.500 0.203 0.000 0.759 191 K HN 0.281 8.735 8.250 0.340 0.000 0.469 192 K N -1.657 118.565 120.400 -0.297 0.000 2.820 192 K HA -0.391 3.702 4.320 -0.378 0.000 0.584 192 K C -0.914 175.425 176.600 -0.435 0.000 2.551 192 K CA 1.006 56.938 56.287 -0.590 0.000 1.977 192 K CB 0.033 31.687 32.500 -1.410 0.000 2.473 192 K HN 0.067 8.191 8.250 -0.209 0.000 0.448 193 R N -0.430 119.907 120.500 -0.273 0.000 3.045 193 R HA 0.277 4.674 4.340 0.096 0.000 0.245 193 R C -1.642 174.749 176.300 0.153 0.000 1.333 193 R CA -1.484 54.622 56.100 0.010 0.000 1.036 193 R CB 2.486 32.788 30.300 0.003 0.000 1.340 193 R HN 0.059 8.153 8.270 -0.293 0.000 0.488 194 G N -1.573 107.324 108.800 0.162 0.000 2.379 194 G HA2 -0.180 4.156 3.960 0.121 0.000 0.609 194 G HA3 -0.180 3.917 3.960 0.228 0.000 0.609 194 G C -2.603 172.396 174.900 0.165 0.000 1.484 194 G CA -0.317 44.887 45.100 0.173 0.000 0.921 194 G HN 0.047 8.713 8.290 0.119 -0.305 0.658 195 D N -1.281 119.200 120.400 0.135 0.000 2.807 195 D HA 0.201 4.941 4.640 0.167 0.000 0.279 195 D C -2.482 173.889 176.300 0.117 0.000 1.247 195 D CA -0.226 53.851 54.000 0.129 0.000 0.749 195 D CB 3.189 44.038 40.800 0.081 0.000 1.264 195 D HN -0.272 8.170 8.370 0.120 0.000 0.421 196 A N -1.324 121.565 122.820 0.115 0.000 2.242 196 A HA 0.331 4.805 4.320 0.105 -0.091 0.304 196 A C -1.888 175.738 177.584 0.070 0.000 1.100 196 A CA -1.073 51.025 52.037 0.101 0.000 0.860 196 A CB 2.303 21.362 19.000 0.098 0.000 1.168 196 A HN 0.304 8.519 8.150 0.108 0.000 0.503 197 c N -3.405 115.239 118.600 0.073 0.000 3.293 197 c HA 0.218 4.827 4.570 0.065 0.000 0.362 197 c C -1.211 172.929 174.090 0.084 0.000 1.539 197 c CA -1.137 55.234 56.329 0.071 0.000 1.201 197 c CB 3.108 45.658 42.510 0.066 0.000 1.770 197 c HN -0.200 8.264 8.230 0.081 -0.185 0.440 198 E N 1.658 121.909 120.200 0.084 0.000 2.452 198 E HA -0.270 4.146 4.350 0.110 0.000 0.261 198 E C 0.817 177.478 176.600 0.102 0.000 0.987 198 E CA 2.324 58.781 56.400 0.096 0.000 0.926 198 E CB 0.504 30.253 29.700 0.082 0.000 0.934 198 E HN 0.277 8.683 8.360 0.075 0.000 0.452 199 G N 5.259 114.128 108.800 0.115 0.000 2.254 199 G HA2 -0.364 3.673 3.960 0.127 0.000 0.225 199 G HA3 -0.364 3.678 3.960 0.136 0.000 0.225 199 G C 0.646 175.635 174.900 0.148 0.000 1.003 199 G CA 0.795 45.974 45.100 0.132 0.000 0.622 199 G HN 0.862 9.224 8.290 0.120 0.000 0.507 200 D N 1.589 122.065 120.400 0.127 0.000 2.339 200 D HA 0.122 4.834 4.640 0.119 0.000 0.217 200 D C -0.133 176.241 176.300 0.123 0.000 1.050 200 D CA 0.490 54.560 54.000 0.117 0.000 0.856 200 D CB 0.237 41.097 40.800 0.099 0.000 0.922 200 D HN -0.120 8.230 8.370 0.117 0.090 0.518 201 S N -1.124 114.650 115.700 0.124 0.000 2.573 201 S HA -0.215 4.333 4.470 0.131 0.000 0.277 201 S C 0.905 175.558 174.600 0.087 0.000 1.346 201 S CA 2.440 60.712 58.200 0.119 0.000 1.034 201 S CB 0.096 63.382 63.200 0.145 0.000 0.879 201 S HN -0.319 8.001 8.310 0.128 0.067 0.528 202 G N 2.820 111.670 108.800 0.083 0.000 2.267 202 G HA2 -0.440 3.656 3.960 0.076 0.000 0.257 202 G HA3 -0.440 3.698 3.960 0.063 -0.140 0.257 202 G C -0.334 174.653 174.900 0.145 0.000 0.998 202 G CA 0.539 45.691 45.100 0.087 0.000 0.620 202 G HN 0.362 8.714 8.290 0.104 0.000 0.529 203 G N 0.429 109.325 108.800 0.159 0.000 2.547 203 G HA2 0.442 4.508 3.960 0.176 0.000 0.291 203 G HA3 0.442 4.493 3.960 0.151 0.000 0.291 203 G C -2.913 172.122 174.900 0.225 0.000 1.211 203 G CA -2.251 42.955 45.100 0.177 0.000 0.950 203 G HN -0.600 7.674 8.290 0.149 0.105 0.504 204 P HA 0.503 5.235 4.420 0.269 -0.151 0.290 204 P C -2.061 175.394 177.300 0.257 0.000 1.275 204 P CA -1.393 61.852 63.100 0.242 0.000 0.841 204 P CB 1.969 33.785 31.700 0.193 0.000 1.042 205 F N 2.940 122.964 119.950 0.125 0.000 2.449 205 F HA 0.877 5.653 4.527 0.034 -0.229 0.342 205 F C -1.969 173.884 175.800 0.089 0.000 1.127 205 F CA -2.502 55.521 58.000 0.039 0.000 0.975 205 F CB 3.376 42.298 39.000 -0.130 0.000 1.146 205 F HN 0.420 8.944 8.300 0.373 0.000 0.444 206 V N 3.482 123.237 119.914 -0.265 0.000 3.001 206 V HA 0.930 5.207 4.120 0.060 -0.121 0.314 206 V C -2.326 173.744 176.094 -0.039 0.000 1.099 206 V CA -2.867 59.423 62.300 -0.017 0.000 0.989 206 V CB 4.119 36.019 31.823 0.129 0.000 1.040 206 V HN 0.624 8.550 8.190 -0.440 0.000 0.434 207 M N -0.080 119.568 119.600 0.080 0.000 2.619 207 M HA 0.412 4.846 4.480 -0.076 0.000 0.297 207 M C -1.942 174.223 176.300 -0.224 0.000 1.229 207 M CA -0.705 54.565 55.300 -0.051 0.000 0.860 207 M CB 5.106 37.678 32.600 -0.045 0.000 1.741 207 M HN 0.784 9.157 8.290 0.138 0.000 0.462 208 K N 1.113 121.167 120.400 -0.577 0.000 2.293 208 K HA 0.418 4.302 4.320 -0.994 -0.161 0.267 208 K C -0.622 175.727 176.600 -0.419 0.000 1.010 208 K CA -1.246 54.491 56.287 -0.917 0.000 0.875 208 K CB 1.248 32.884 32.500 -1.440 0.000 1.106 208 K HN 0.282 8.257 8.250 -0.459 0.000 0.450 209 S N 6.652 122.222 115.700 -0.215 0.000 2.110 209 S HA -0.247 4.167 4.470 -0.093 0.000 0.152 209 S C 0.406 174.916 174.600 -0.149 0.000 1.404 209 S CA 1.365 59.517 58.200 -0.080 0.000 2.390 209 S CB 0.849 64.132 63.200 0.138 0.000 0.276 209 S HN 0.883 9.075 8.310 -0.197 0.000 0.349 210 N N -0.131 118.561 118.700 -0.013 0.000 2.353 210 N HA -0.356 4.376 4.740 -0.014 0.000 0.242 210 N C -0.440 175.047 175.510 -0.039 0.000 1.168 210 N CA 0.765 53.810 53.050 -0.008 0.000 0.799 210 N CB -1.452 37.055 38.487 0.032 0.000 1.134 210 N HN 0.520 8.901 8.380 0.002 0.000 0.592 211 N N -6.203 112.449 118.700 -0.081 0.000 2.678 211 N HA -0.490 4.228 4.740 -0.195 -0.095 0.249 211 N C -1.350 174.053 175.510 -0.177 0.000 1.119 211 N CA 1.692 54.660 53.050 -0.136 0.000 0.718 211 N CB -0.974 37.467 38.487 -0.077 0.000 1.060 211 N HN -0.165 8.166 8.380 -0.082 0.000 0.552 212 R N -3.281 117.096 120.500 -0.204 0.000 2.720 212 R HA 0.175 4.432 4.340 -0.138 0.000 0.272 212 R C -1.284 174.735 176.300 -0.469 0.000 0.991 212 R CA -1.224 54.703 56.100 -0.288 0.000 1.010 212 R CB 3.173 33.216 30.300 -0.428 0.000 1.141 212 R HN -0.555 7.592 8.270 -0.134 0.042 0.494 213 W N -1.153 119.907 121.300 -0.399 0.000 2.433 213 W HA 0.570 5.318 4.660 -0.191 -0.203 0.315 213 W C -0.290 175.840 176.519 -0.650 0.000 1.087 213 W CA -0.976 56.141 57.345 -0.380 0.000 1.205 213 W CB 1.660 30.923 29.460 -0.328 0.000 1.288 213 W HN 0.254 8.381 8.180 -0.088 0.000 0.504 214 Y N 0.607 120.878 120.300 -0.048 0.000 2.485 214 Y HA 0.563 5.259 4.550 -0.120 -0.217 0.345 214 Y C -1.207 174.652 175.900 -0.068 0.000 0.998 214 Y CA -1.750 56.298 58.100 -0.087 0.000 1.059 214 Y CB 4.165 42.585 38.460 -0.066 0.000 1.234 214 Y HN 0.961 9.310 8.280 0.115 0.000 0.461 215 Q N 2.333 122.185 119.800 0.087 0.000 2.349 215 Q HA 0.329 4.836 4.340 0.070 -0.125 0.254 215 Q C -0.588 175.528 176.000 0.194 0.000 0.980 215 Q CA -0.791 55.062 55.803 0.084 0.000 0.924 215 Q CB 1.149 29.904 28.738 0.029 0.000 1.209 215 Q HN 0.447 8.775 8.270 0.098 0.000 0.445 216 M N 5.609 125.362 119.600 0.255 0.000 2.466 216 M HA 0.104 4.678 4.480 0.157 0.000 0.265 216 M C -0.357 176.151 176.300 0.346 0.000 1.122 216 M CA -0.336 55.101 55.300 0.228 0.000 1.157 216 M CB 0.688 33.378 32.600 0.149 0.000 1.352 216 M HN 0.320 8.780 8.290 0.283 0.000 0.464 217 G N -4.117 104.989 108.800 0.510 0.000 2.680 217 G HA2 0.623 5.064 3.960 0.439 0.000 0.290 217 G HA3 0.623 4.862 3.960 0.464 0.000 0.290 217 G C -3.129 172.009 174.900 0.396 0.000 1.355 217 G CA -0.987 44.397 45.100 0.475 0.000 0.903 217 G HN -0.436 8.200 8.290 0.578 0.000 0.474 218 I N -1.470 119.306 120.570 0.343 0.000 2.603 218 I HA 0.621 5.161 4.170 0.310 -0.184 0.300 218 I C -0.434 175.879 176.117 0.326 0.000 1.017 218 I CA -1.622 59.861 61.300 0.304 0.000 1.098 218 I CB 4.332 42.471 38.000 0.230 0.000 1.279 218 I HN -0.385 8.081 8.210 0.294 -0.079 0.437 219 V N 4.901 124.982 119.914 0.279 0.000 2.479 219 V HA -0.114 3.887 4.120 -0.198 0.000 0.281 219 V C -1.113 175.008 176.094 0.046 0.000 1.031 219 V CA 1.522 63.865 62.300 0.071 0.000 1.038 219 V CB -0.673 31.230 31.823 0.133 0.000 0.981 219 V HN 0.464 8.815 8.190 0.269 0.000 0.478 220 S N 7.052 122.689 115.700 -0.106 0.000 2.942 220 S HA 0.400 5.215 4.470 0.345 -0.138 0.220 220 S C -0.652 174.078 174.600 0.217 0.000 0.945 220 S CA 1.128 59.415 58.200 0.145 0.000 0.851 220 S CB 2.665 65.928 63.200 0.105 0.000 0.820 220 S HN 0.193 8.230 8.310 -0.455 0.000 0.624 221 W N -2.573 118.691 121.300 -0.060 0.000 2.959 221 W HA 0.300 4.930 4.660 -0.050 0.000 0.358 221 W C -2.183 174.339 176.519 0.006 0.000 1.228 221 W CA -1.276 56.039 57.345 -0.051 0.000 1.183 221 W CB 1.198 30.599 29.460 -0.097 0.000 1.467 221 W HN -0.461 7.438 8.180 -0.469 0.000 0.578 222 G N -1.653 107.360 108.800 0.355 0.000 2.559 222 G HA2 0.238 4.302 3.960 0.173 0.000 0.291 222 G HA3 0.238 4.247 3.960 0.082 0.000 0.291 222 G C -1.491 173.601 174.900 0.320 0.000 1.424 222 G CA -0.466 44.770 45.100 0.227 0.000 0.786 222 G HN -0.262 8.301 8.290 0.454 0.000 0.485 226 c N 1.770 120.396 118.600 0.043 0.000 2.955 226 c HA 0.429 5.191 4.570 0.041 -0.168 0.229 226 c C -1.334 172.774 174.090 0.031 0.000 1.842 226 c CA -1.211 55.142 56.329 0.040 0.000 1.539 226 c CB -0.856 41.682 42.510 0.047 0.000 2.869 226 c HN 0.097 8.646 8.230 0.038 -0.297 0.503 227 R N -1.044 119.442 120.500 -0.022 0.000 2.687 227 R HA 0.212 4.544 4.340 -0.013 0.000 0.265 227 R C -2.259 174.000 176.300 -0.068 0.000 1.048 227 R CA -0.302 55.781 56.100 -0.028 0.000 0.884 227 R CB 2.616 32.906 30.300 -0.016 0.000 1.258 227 R HN -0.340 7.917 8.270 -0.022 0.000 0.469 228 D N 1.004 121.373 120.400 -0.052 0.000 2.345 228 D HA 0.013 4.596 4.640 -0.094 0.000 0.247 228 D C 1.032 177.271 176.300 -0.102 0.000 1.108 228 D CA 0.910 54.866 54.000 -0.072 0.000 0.894 228 D CB 0.255 41.038 40.800 -0.028 0.000 1.203 228 D HN 0.113 8.466 8.370 -0.029 0.000 0.430 229 G N 0.400 109.099 108.800 -0.168 0.000 2.199 229 G HA2 -0.441 3.484 3.960 -0.059 0.000 0.254 229 G HA3 -0.441 3.496 3.960 -0.039 0.000 0.254 229 G C -0.712 174.031 174.900 -0.262 0.000 0.982 229 G CA 0.314 45.335 45.100 -0.131 0.000 0.632 229 G HN 0.414 8.587 8.290 -0.195 0.000 0.529 230 K N -0.797 119.342 120.400 -0.436 0.000 2.280 230 K HA 0.403 4.663 4.320 -0.100 0.000 0.234 230 K C -1.430 174.667 176.600 -0.837 0.000 1.028 230 K CA -1.615 54.460 56.287 -0.353 0.000 0.882 230 K CB 2.542 34.988 32.500 -0.090 0.000 1.194 230 K HN -0.808 7.119 8.250 -0.380 0.095 0.458 231 Y N -3.762 116.556 120.300 0.030 0.000 2.829 231 Y HA 0.044 4.551 4.550 -0.072 0.000 0.322 231 Y C -1.379 174.399 175.900 -0.203 0.000 1.357 231 Y CA -0.554 57.473 58.100 -0.121 0.000 1.081 231 Y CB 3.338 41.633 38.460 -0.276 0.000 1.339 231 Y HN -0.062 8.306 8.280 0.148 0.000 0.469 232 G N -2.090 106.591 108.800 -0.199 0.000 2.416 232 G HA2 0.564 4.444 3.960 -0.329 0.000 0.329 232 G HA3 0.564 4.300 3.960 -0.374 0.000 0.329 232 G C -2.537 171.813 174.900 -0.916 0.000 1.173 232 G CA -1.595 43.245 45.100 -0.432 0.000 0.929 232 G HN -0.162 8.073 8.290 -0.092 0.000 0.475 233 F N 1.931 121.233 119.950 -1.079 0.000 2.480 233 F HA 0.766 5.019 4.527 -0.737 -0.169 0.329 233 F C -1.025 174.093 175.800 -1.136 0.000 1.091 233 F CA -1.357 55.984 58.000 -1.098 0.000 0.972 233 F CB 3.947 41.905 39.000 -1.737 0.000 1.150 233 F HN 0.750 8.553 8.300 -0.828 0.000 0.467 234 Y N 0.203 120.082 120.300 -0.701 0.000 2.462 234 Y HA 0.667 5.159 4.550 -0.327 -0.138 0.346 234 Y C 0.152 175.838 175.900 -0.357 0.000 0.976 234 Y CA -1.770 55.957 58.100 -0.622 0.000 1.044 234 Y CB 3.358 41.118 38.460 -1.167 0.000 1.230 234 Y HN 0.869 8.757 8.280 -0.653 0.000 0.455 235 T N 4.656 119.251 114.554 0.068 0.000 2.930 235 T HA -0.078 4.524 4.350 0.189 -0.139 0.306 235 T C -0.673 174.201 174.700 0.290 0.000 1.045 235 T CA 1.170 63.380 62.100 0.184 0.000 1.134 235 T CB 0.587 69.575 68.868 0.200 0.000 0.961 235 T HN 0.269 8.572 8.240 0.106 0.000 0.545 236 H N 7.805 127.044 119.070 0.283 0.000 3.118 236 H HA 0.033 4.915 4.556 0.543 0.000 0.266 236 H C 0.653 176.147 175.328 0.276 0.000 1.465 236 H CA -0.260 56.009 56.048 0.368 0.000 1.460 236 H CB -0.745 29.195 29.762 0.298 0.000 1.661 236 H HN -0.178 8.341 8.280 0.398 0.000 0.516 237 V N 6.758 126.908 119.914 0.393 0.000 2.278 237 V HA -0.547 3.753 4.120 0.300 0.000 0.251 237 V C 1.926 178.217 176.094 0.330 0.000 1.062 237 V CA 4.399 66.898 62.300 0.332 0.000 1.038 237 V CB -0.484 31.511 31.823 0.286 0.000 0.646 237 V HN -0.188 8.216 8.190 0.357 0.000 0.447 238 F N -0.232 119.894 119.950 0.293 0.000 2.095 238 F HA -0.302 4.316 4.527 0.152 0.000 0.298 238 F C 1.571 177.482 175.800 0.186 0.000 1.104 238 F CA 2.957 61.088 58.000 0.219 0.000 1.232 238 F CB -0.157 38.962 39.000 0.199 0.000 0.987 238 F HN -0.340 8.277 8.300 0.539 0.007 0.475 239 R N -3.857 116.647 120.500 0.006 0.000 2.249 239 R HA -0.276 3.842 4.340 -0.369 0.000 0.230 239 R C 0.869 177.107 176.300 -0.104 0.000 1.121 239 R CA 2.258 58.236 56.100 -0.204 0.000 0.997 239 R CB -0.140 30.028 30.300 -0.219 0.000 0.867 239 R HN -0.568 7.977 8.270 0.460 0.000 0.465 240 L N -4.755 116.480 121.223 0.020 0.000 2.858 240 L HA 0.335 4.759 4.340 0.139 0.000 0.251 240 L C 0.247 177.216 176.870 0.165 0.000 1.149 240 L CA -0.881 54.047 54.840 0.146 0.000 0.955 240 L CB 0.528 42.735 42.059 0.246 0.000 1.289 240 L HN -0.517 7.579 8.230 0.084 0.185 0.542 241 K N 1.720 122.120 120.400 -0.000 0.000 2.113 241 K HA -0.433 3.931 4.320 0.075 0.000 0.208 241 K C 1.327 177.916 176.600 -0.019 0.000 1.047 241 K CA 3.870 60.154 56.287 -0.005 0.000 0.928 241 K CB -0.260 32.185 32.500 -0.092 0.000 0.716 241 K HN -0.046 7.937 8.250 -0.130 0.189 0.446 242 K N -3.050 117.323 120.400 -0.045 0.000 2.103 242 K HA -0.251 4.032 4.320 -0.061 0.000 0.207 242 K C 2.093 178.690 176.600 -0.004 0.000 1.048 242 K CA 2.496 58.764 56.287 -0.033 0.000 0.930 242 K CB -1.224 31.261 32.500 -0.025 0.000 0.716 242 K HN 0.259 8.434 8.250 -0.100 0.015 0.444 243 W N 0.674 121.928 121.300 -0.075 0.000 2.355 243 W HA -0.319 4.271 4.660 -0.117 0.000 0.309 243 W C 1.611 178.065 176.519 -0.109 0.000 1.206 243 W CA 3.805 61.091 57.345 -0.099 0.000 1.284 243 W CB -0.125 29.280 29.460 -0.093 0.000 1.145 243 W HN -0.671 7.553 8.180 0.232 0.095 0.502 244 I N -1.514 118.928 120.570 -0.213 0.000 2.069 244 I HA -0.806 2.904 4.170 -0.767 0.000 0.237 244 I C 1.925 177.748 176.117 -0.490 0.000 1.053 244 I CA 4.302 65.342 61.300 -0.432 0.000 1.311 244 I CB -0.487 37.449 38.000 -0.105 0.000 1.030 244 I HN -0.645 7.571 8.210 0.130 0.072 0.398 245 Q N -1.633 117.991 119.800 -0.294 0.000 2.082 245 Q HA -0.529 3.652 4.340 -0.265 0.000 0.211 245 Q C 2.255 178.058 176.000 -0.329 0.000 1.002 245 Q CA 3.533 59.179 55.803 -0.262 0.000 0.868 245 Q CB -0.458 28.189 28.738 -0.152 0.000 0.931 245 Q HN 0.066 8.222 8.270 -0.190 0.000 0.414 246 K N -1.277 118.926 120.400 -0.328 0.000 2.044 246 K HA -0.331 3.962 4.320 -0.263 -0.131 0.210 246 K C 2.073 178.411 176.600 -0.437 0.000 1.049 246 K CA 3.166 59.255 56.287 -0.330 0.000 0.927 246 K CB -0.014 32.330 32.500 -0.261 0.000 0.713 246 K HN -0.295 7.782 8.250 -0.287 0.000 0.443 247 V N -2.799 116.754 119.914 -0.601 0.000 2.548 247 V HA -0.194 3.760 4.120 -0.276 0.000 0.249 247 V C 1.328 177.094 176.094 -0.546 0.000 1.055 247 V CA 2.071 64.070 62.300 -0.503 0.000 1.065 247 V CB 0.398 31.750 31.823 -0.786 0.000 0.681 247 V HN -0.587 7.060 8.190 -0.768 0.083 0.462 248 I N 1.188 121.316 120.570 -0.737 0.000 2.163 248 I HA -0.504 2.986 4.170 -1.132 0.000 0.240 248 I C 0.432 176.320 176.117 -0.381 0.000 1.081 248 I CA 4.101 64.925 61.300 -0.793 0.000 1.353 248 I CB -0.069 37.444 38.000 -0.812 0.000 1.054 248 I HN 0.054 7.817 8.210 -0.722 0.014 0.407 249 D N -5.249 114.957 120.400 -0.324 0.000 2.676 249 D HA 0.017 4.562 4.640 -0.158 0.000 0.239 249 D C -0.574 175.568 176.300 -0.265 0.000 1.213 249 D CA -0.218 53.650 54.000 -0.220 0.000 0.835 249 D CB -1.397 39.301 40.800 -0.170 0.000 1.009 249 D HN 0.048 8.099 8.370 -0.355 0.107 0.479 250 Q N -1.833 117.740 119.800 -0.377 0.000 2.427 250 Q HA 0.031 4.106 4.340 -0.441 0.000 0.249 250 Q C -0.238 175.326 176.000 -0.727 0.000 0.783 250 Q CA 0.863 56.290 55.803 -0.627 0.000 0.978 250 Q CB 1.892 30.064 28.738 -0.943 0.000 1.273 250 Q HN -0.666 7.263 8.270 -0.347 0.132 0.524 251 F N -1.129 118.781 119.950 -0.066 0.000 2.682 251 F HA 0.219 4.810 4.527 0.105 0.000 0.308 251 F C -1.032 174.901 175.800 0.222 0.000 1.093 251 F CA 0.120 58.175 58.000 0.092 0.000 1.244 251 F CB 2.070 41.135 39.000 0.108 0.000 1.052 251 F HN 0.003 8.021 8.300 -0.302 0.101 0.573 252 G N -2.983 105.980 108.800 0.272 0.000 2.384 252 G HA2 -0.108 3.977 3.960 0.209 0.000 0.113 252 G HA3 -0.108 4.137 3.960 0.475 0.000 0.113 252 G C -3.157 171.913 174.900 0.283 0.000 1.224 252 G CA 0.682 45.978 45.100 0.327 0.000 1.126 252 G HN -0.375 7.964 8.290 0.083 0.000 0.461 253 E N 0.000 120.503 120.200 0.506 0.000 2.725 253 E HA 0.000 4.464 4.350 0.191 0.000 0.291 253 E CA 0.000 56.633 56.400 0.389 0.000 0.976 253 E CB 0.000 29.802 29.700 0.170 0.000 0.812 253 E HN 0.000 8.751 8.360 0.652 0.000 0.440