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 2jzt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MANDTPFSAL WQRLLTRGWQ PVEASTVDDW IKRVGDGVIL LSSDPRRTPE DATA SEQUENCE VSDNPVMIAE LLREFPQFDW QVAVADLEQS EAIGDRFNVR RFPATLVFTD DATA SEQUENCE GKLRGALSGI HPWAELLTLM RSIVDTPAAQ ETVQLEHHHH HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.492 4.480 0.020 0.000 0.227 1 M C 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 A N 0.684 123.520 122.820 0.027 0.000 2.717 2 A HA 0.303 4.637 4.320 0.023 0.000 0.262 2 A C -0.761 176.833 177.584 0.017 0.000 1.483 2 A CA 0.036 52.085 52.037 0.021 0.000 0.889 2 A CB 0.299 19.308 19.000 0.013 0.000 1.604 2 A HN 0.081 8.251 8.150 0.034 0.000 0.523 3 N N -0.800 117.903 118.700 0.005 0.000 2.203 3 N HA -0.051 4.697 4.740 0.013 0.000 0.207 3 N C -2.003 173.506 175.510 -0.002 0.000 1.130 3 N CA -0.020 53.032 53.050 0.003 0.000 0.861 3 N CB 0.522 39.007 38.487 -0.003 0.000 1.005 3 N HN 0.105 8.482 8.380 -0.005 0.000 0.507 4 D N -2.582 117.816 120.400 -0.004 0.000 9.024 4 D HA -0.280 4.365 4.640 0.008 0.000 0.279 4 D C -1.450 174.819 176.300 -0.052 0.000 2.512 4 D CA 0.713 54.712 54.000 -0.003 0.000 2.322 4 D CB 0.569 41.385 40.800 0.027 0.000 0.967 4 D HN -0.414 7.878 8.370 0.001 0.079 0.684 5 T N 3.920 118.400 114.554 -0.123 0.000 2.965 5 T HA 0.341 4.593 4.350 -0.164 0.000 0.306 5 T C -2.851 171.637 174.700 -0.354 0.000 0.991 5 T CA -3.287 58.654 62.100 -0.266 0.000 1.001 5 T CB 1.230 69.852 68.868 -0.411 0.000 0.984 5 T HN -0.164 8.017 8.240 -0.098 0.000 0.446 6 P HA 0.259 5.005 4.420 0.543 0.000 0.280 6 P C -1.459 175.834 177.300 -0.012 0.000 1.386 6 P CA -0.496 62.694 63.100 0.150 0.000 0.899 6 P CB -0.216 31.599 31.700 0.191 0.000 1.098 7 F N 2.936 122.845 119.950 -0.068 0.000 2.126 7 F HA -0.275 4.179 4.527 -0.123 0.000 0.299 7 F C 0.427 176.235 175.800 0.014 0.000 1.096 7 F CA 2.428 60.342 58.000 -0.144 0.000 1.255 7 F CB 0.203 38.970 39.000 -0.389 0.000 0.997 7 F HN -0.116 7.896 8.300 -0.480 0.000 0.479 8 S N -4.845 111.050 115.700 0.325 0.000 2.672 8 S HA 0.106 4.674 4.470 0.163 0.000 0.271 8 S C -0.874 173.870 174.600 0.241 0.000 1.171 8 S CA -1.100 57.240 58.200 0.234 0.000 0.817 8 S CB 2.194 65.514 63.200 0.200 0.000 1.150 8 S HN -0.819 7.772 8.310 0.487 0.011 0.478 9 A N 0.493 123.404 122.820 0.153 0.000 2.015 9 A HA -0.088 4.295 4.320 0.106 0.000 0.219 9 A C 1.852 179.507 177.584 0.118 0.000 1.163 9 A CA 2.557 54.661 52.037 0.113 0.000 0.646 9 A CB -0.523 18.520 19.000 0.072 0.000 0.806 9 A HN 0.561 8.786 8.150 0.124 0.000 0.448 10 L N -3.246 118.066 121.223 0.149 0.000 2.217 10 L HA -0.198 4.198 4.340 0.093 0.000 0.211 10 L C 1.196 178.188 176.870 0.203 0.000 1.107 10 L CA 2.743 57.669 54.840 0.143 0.000 0.783 10 L CB -0.699 41.442 42.059 0.138 0.000 0.919 10 L HN -0.093 8.206 8.230 0.155 0.024 0.442 11 W N -0.771 120.579 121.300 0.084 0.000 2.539 11 W HA -0.272 4.452 4.660 0.106 0.000 0.299 11 W C 1.689 178.264 176.519 0.092 0.000 1.165 11 W CA 2.513 59.928 57.345 0.117 0.000 1.400 11 W CB 0.372 29.959 29.460 0.211 0.000 1.123 11 W HN -0.719 7.553 8.180 0.401 0.148 0.533 12 Q N 0.514 120.375 119.800 0.102 0.000 2.297 12 Q HA -0.450 3.805 4.340 -0.142 0.000 0.208 12 Q C 1.733 177.653 176.000 -0.135 0.000 0.981 12 Q CA 3.595 59.373 55.803 -0.043 0.000 0.876 12 Q CB -0.091 28.693 28.738 0.077 0.000 0.921 12 Q HN 0.421 8.763 8.270 0.303 0.109 0.446 13 R N -1.924 118.518 120.500 -0.097 0.000 2.152 13 R HA -0.231 4.053 4.340 -0.093 0.000 0.232 13 R C 2.222 178.408 176.300 -0.190 0.000 1.117 13 R CA 2.511 58.546 56.100 -0.109 0.000 0.981 13 R CB -0.816 29.449 30.300 -0.058 0.000 0.870 13 R HN -0.658 7.557 8.270 -0.034 0.034 0.451 14 L N -1.259 119.798 121.223 -0.277 0.000 2.109 14 L HA -0.213 3.957 4.340 -0.283 0.000 0.207 14 L C 1.805 178.450 176.870 -0.375 0.000 1.086 14 L CA 2.142 56.781 54.840 -0.335 0.000 0.760 14 L CB -0.886 40.933 42.059 -0.400 0.000 0.910 14 L HN -0.064 7.854 8.230 -0.306 0.128 0.437 15 L N -2.835 118.171 121.223 -0.361 0.000 2.201 15 L HA -0.185 4.218 4.340 -0.230 -0.201 0.212 15 L C 2.563 179.309 176.870 -0.208 0.000 1.105 15 L CA 2.446 57.136 54.840 -0.250 0.000 0.775 15 L CB -0.450 41.503 42.059 -0.176 0.000 0.913 15 L HN -0.884 6.993 8.230 -0.413 0.105 0.440 16 T N -1.292 113.142 114.554 -0.200 0.000 2.915 16 T HA -0.254 4.018 4.350 -0.130 0.000 0.269 16 T C 0.881 175.447 174.700 -0.224 0.000 1.071 16 T CA 3.399 65.399 62.100 -0.167 0.000 1.132 16 T CB -0.271 68.520 68.868 -0.128 0.000 0.878 16 T HN -0.332 7.661 8.240 -0.205 0.125 0.479 17 R N -0.220 120.079 120.500 -0.335 0.000 2.127 17 R HA -0.093 4.037 4.340 -0.349 0.000 0.217 17 R C 0.717 176.651 176.300 -0.609 0.000 1.074 17 R CA 0.754 56.569 56.100 -0.475 0.000 0.991 17 R CB 1.098 31.018 30.300 -0.633 0.000 0.895 17 R HN -0.630 7.293 8.270 -0.342 0.142 0.450 18 G N -3.048 105.405 108.800 -0.578 0.000 2.236 18 G HA2 -0.090 3.805 3.960 -0.220 0.000 0.231 18 G HA3 -0.090 3.590 3.960 -0.466 0.000 0.231 18 G C -1.991 172.755 174.900 -0.258 0.000 1.334 18 G CA -0.777 44.070 45.100 -0.422 0.000 1.137 18 G HN -0.145 7.759 8.290 -0.504 0.083 0.482 19 W N -2.938 118.371 121.300 0.015 0.000 3.078 19 W HA -0.371 4.461 4.660 0.089 -0.118 0.408 19 W C -0.781 175.750 176.519 0.020 0.000 1.029 19 W CA -0.480 56.883 57.345 0.030 0.000 0.459 19 W CB -1.436 28.017 29.460 -0.012 0.000 2.859 19 W HN 0.149 8.383 8.180 0.091 0.000 0.416 20 Q N -0.213 119.747 119.800 0.267 0.000 2.257 20 Q HA 0.423 4.857 4.340 0.157 0.000 0.255 20 Q C -1.922 174.103 176.000 0.042 0.000 0.920 20 Q CA -2.438 53.443 55.803 0.130 0.000 0.927 20 Q CB 0.627 29.442 28.738 0.128 0.000 1.229 20 Q HN -0.005 8.432 8.270 0.280 0.000 0.433 21 P HA 0.192 4.957 4.420 0.336 -0.144 0.281 21 P C -0.934 176.421 177.300 0.092 0.000 1.286 21 P CA -0.594 62.662 63.100 0.260 0.000 0.772 21 P CB 0.290 32.282 31.700 0.486 0.000 0.862 22 V N 0.420 120.343 119.914 0.015 0.000 3.046 22 V HA 0.510 4.596 4.120 -0.058 0.000 0.316 22 V C -1.370 174.727 176.094 0.005 0.000 1.104 22 V CA -3.498 58.754 62.300 -0.079 0.000 1.006 22 V CB 3.298 34.937 31.823 -0.306 0.000 1.058 22 V HN 0.512 8.746 8.190 0.072 0.000 0.440 23 E N -0.361 119.840 120.200 0.002 0.000 2.281 23 E HA 0.299 4.722 4.350 0.015 -0.065 0.257 23 E C -0.421 176.183 176.600 0.006 0.000 0.971 23 E CA -1.828 54.580 56.400 0.014 0.000 0.839 23 E CB 2.699 32.414 29.700 0.025 0.000 1.238 23 E HN -0.084 8.272 8.360 -0.007 0.000 0.412 24 A N -0.331 122.488 122.820 -0.003 0.000 1.969 24 A HA -0.238 4.075 4.320 -0.012 0.000 0.218 24 A C 0.744 178.321 177.584 -0.012 0.000 1.169 24 A CA 3.352 55.378 52.037 -0.017 0.000 0.635 24 A CB -0.047 18.930 19.000 -0.039 0.000 0.810 24 A HN 0.497 8.980 8.150 -0.007 -0.337 0.445 25 S N -2.948 112.754 115.700 0.002 0.000 2.341 25 S HA -0.227 4.245 4.470 0.003 0.000 0.216 25 S C 2.108 176.728 174.600 0.033 0.000 1.034 25 S CA 2.694 60.902 58.200 0.013 0.000 0.964 25 S CB -0.236 62.975 63.200 0.018 0.000 0.882 25 S HN 0.095 8.391 8.310 0.004 0.016 0.469 26 T N 3.467 118.045 114.554 0.040 0.000 3.113 26 T HA -0.140 4.245 4.350 0.059 0.000 0.263 26 T C 1.173 175.931 174.700 0.096 0.000 1.143 26 T CA 1.771 63.907 62.100 0.060 0.000 1.090 26 T CB -0.223 68.678 68.868 0.056 0.000 0.922 26 T HN -0.048 8.211 8.240 0.032 0.000 0.521 27 V N 2.261 122.222 119.914 0.079 0.000 2.626 27 V HA -0.389 3.805 4.120 0.123 0.000 0.252 27 V C 0.207 176.409 176.094 0.181 0.000 1.067 27 V CA 2.759 65.132 62.300 0.121 0.000 1.081 27 V CB 0.034 31.911 31.823 0.090 0.000 0.686 27 V HN -0.534 7.621 8.190 0.052 0.067 0.468 28 D N -0.484 119.988 120.400 0.120 0.000 2.084 28 D HA -0.398 4.304 4.640 0.104 0.000 0.194 28 D C 1.587 177.928 176.300 0.067 0.000 0.990 28 D CA 4.420 58.475 54.000 0.092 0.000 0.826 28 D CB -0.177 40.662 40.800 0.065 0.000 0.971 28 D HN -0.591 7.802 8.370 0.093 0.033 0.453 29 D N 0.176 120.620 120.400 0.073 0.000 2.144 29 D HA -0.233 4.410 4.640 0.004 0.000 0.200 29 D C 1.519 177.853 176.300 0.058 0.000 0.978 29 D CA 3.404 57.429 54.000 0.042 0.000 0.833 29 D CB -0.092 40.727 40.800 0.033 0.000 0.961 29 D HN 0.041 8.458 8.370 0.079 0.000 0.470 30 W N 0.544 121.808 121.300 -0.060 0.000 2.333 30 W HA -0.449 4.182 4.660 -0.049 0.000 0.316 30 W C 1.479 177.931 176.519 -0.112 0.000 1.215 30 W CA 4.910 62.216 57.345 -0.064 0.000 1.278 30 W CB 0.200 29.636 29.460 -0.040 0.000 1.154 30 W HN -0.608 7.655 8.180 0.278 0.085 0.486 31 I N -1.664 118.912 120.570 0.010 0.000 2.163 31 I HA -0.748 3.122 4.170 -0.501 0.000 0.243 31 I C 1.744 177.669 176.117 -0.320 0.000 1.085 31 I CA 4.487 65.605 61.300 -0.304 0.000 1.347 31 I CB -0.398 37.345 38.000 -0.427 0.000 1.044 31 I HN 0.316 8.652 8.210 0.211 0.000 0.408 32 K N -0.996 119.291 120.400 -0.188 0.000 2.209 32 K HA -0.302 3.933 4.320 -0.142 0.000 0.204 32 K C 1.751 178.238 176.600 -0.188 0.000 1.048 32 K CA 2.677 58.873 56.287 -0.150 0.000 0.940 32 K CB -0.552 31.898 32.500 -0.084 0.000 0.729 32 K HN -0.484 7.694 8.250 -0.119 0.000 0.451 33 R N -1.134 119.221 120.500 -0.241 0.000 2.066 33 R HA -0.122 4.110 4.340 -0.180 0.000 0.224 33 R C 2.033 178.140 176.300 -0.322 0.000 1.122 33 R CA 1.746 57.698 56.100 -0.247 0.000 0.974 33 R CB 0.358 30.520 30.300 -0.230 0.000 0.871 33 R HN -0.555 7.422 8.270 -0.255 0.140 0.435 34 V N -6.323 113.282 119.914 -0.515 0.000 2.488 34 V HA -0.155 3.722 4.120 -0.404 0.000 0.246 34 V C 1.262 177.127 176.094 -0.381 0.000 1.046 34 V CA 1.570 63.550 62.300 -0.534 0.000 1.053 34 V CB 0.317 31.579 31.823 -0.936 0.000 0.679 34 V HN -0.215 7.589 8.190 -0.644 0.000 0.458 35 G N -0.433 108.150 108.800 -0.362 0.000 3.444 35 G HA2 -0.480 3.381 3.960 -0.231 0.000 0.222 35 G HA3 -0.480 3.326 3.960 -0.256 0.000 0.222 35 G C -1.426 173.292 174.900 -0.304 0.000 1.358 35 G CA 0.801 45.733 45.100 -0.279 0.000 0.880 35 G HN 0.581 8.625 8.290 -0.410 0.000 0.555 36 D N 5.063 125.247 120.400 -0.360 0.000 2.492 36 D HA 0.572 5.099 4.640 -0.493 -0.184 0.248 36 D C -0.978 175.159 176.300 -0.272 0.000 1.101 36 D CA -0.550 53.156 54.000 -0.491 0.000 0.840 36 D CB 2.173 42.518 40.800 -0.757 0.000 1.209 36 D HN -0.233 7.838 8.370 -0.338 0.096 0.524 37 G N -0.024 108.778 108.800 0.003 0.000 2.342 37 G HA2 0.633 4.960 3.960 0.637 0.000 0.297 37 G HA3 0.633 4.883 3.960 0.304 -0.108 0.297 37 G C -3.492 171.770 174.900 0.602 0.000 1.313 37 G CA 0.752 46.103 45.100 0.417 0.000 0.830 37 G HN 0.801 8.959 8.290 -0.025 0.117 0.506 38 V N -6.150 114.075 119.914 0.518 0.000 2.760 38 V HA 1.081 5.684 4.120 0.403 -0.241 0.309 38 V C -1.780 174.427 176.094 0.189 0.000 1.077 38 V CA -3.010 59.495 62.300 0.343 0.000 0.910 38 V CB 3.573 35.508 31.823 0.186 0.000 1.008 38 V HN 0.265 8.752 8.190 0.495 0.000 0.424 39 I N 4.165 124.832 120.570 0.161 0.000 2.336 39 I HA 0.252 4.517 4.170 -0.087 -0.148 0.292 39 I C -0.612 175.491 176.117 -0.024 0.000 0.991 39 I CA -1.569 59.745 61.300 0.023 0.000 1.227 39 I CB 1.264 39.316 38.000 0.086 0.000 1.366 39 I HN -0.241 8.110 8.210 0.235 0.000 0.466 40 L N 7.050 128.199 121.223 -0.122 0.000 2.260 40 L HA 0.220 4.519 4.340 -0.069 0.000 0.289 40 L C -0.886 175.977 176.870 -0.011 0.000 1.057 40 L CA -0.644 54.132 54.840 -0.106 0.000 0.811 40 L CB -0.313 41.596 42.059 -0.249 0.000 1.184 40 L HN 0.878 8.886 8.230 -0.193 0.106 0.429 41 L N 2.414 123.659 121.223 0.035 0.000 2.479 41 L HA 0.147 4.530 4.340 0.072 0.000 0.249 41 L C 0.484 177.396 176.870 0.070 0.000 1.178 41 L CA -1.110 53.770 54.840 0.066 0.000 0.811 41 L CB 0.956 43.064 42.059 0.082 0.000 1.187 41 L HN -0.335 7.916 8.230 0.036 0.000 0.480 42 S N -0.308 115.435 115.700 0.073 0.000 2.611 42 S HA -0.158 4.369 4.470 0.094 0.000 0.317 42 S C -0.097 174.542 174.600 0.065 0.000 1.208 42 S CA 0.791 59.035 58.200 0.072 0.000 1.217 42 S CB -0.716 62.513 63.200 0.048 0.000 1.085 42 S HN -0.051 8.299 8.310 0.066 0.000 0.529 43 S N 5.978 121.724 115.700 0.076 0.000 2.318 43 S HA -0.014 4.507 4.470 0.084 0.000 0.164 43 S C -1.018 173.626 174.600 0.074 0.000 1.172 43 S CA 0.411 58.659 58.200 0.081 0.000 1.658 43 S CB 0.843 64.099 63.200 0.092 0.000 0.690 43 S HN -0.284 8.076 8.310 0.084 0.000 0.397 44 D N 1.991 122.437 120.400 0.077 0.000 2.280 44 D HA 0.260 4.932 4.640 0.053 0.000 0.243 44 D C -1.075 175.257 176.300 0.052 0.000 1.129 44 D CA -2.022 52.015 54.000 0.061 0.000 0.848 44 D CB 0.112 40.952 40.800 0.067 0.000 1.107 44 D HN 0.043 8.466 8.370 0.087 0.000 0.471 45 P HA 0.172 4.613 4.420 0.035 0.000 0.279 45 P C -0.789 176.529 177.300 0.030 0.000 1.276 45 P CA -0.662 62.457 63.100 0.032 0.000 0.801 45 P CB 0.807 32.519 31.700 0.019 0.000 1.127 46 R N -1.640 118.876 120.500 0.026 0.000 2.641 46 R HA -0.079 4.278 4.340 0.028 0.000 0.269 46 R C 0.359 176.671 176.300 0.019 0.000 1.074 46 R CA 0.140 56.255 56.100 0.024 0.000 1.133 46 R CB 0.349 30.662 30.300 0.022 0.000 1.029 46 R HN 0.065 8.350 8.270 0.025 0.000 0.488 47 R N 2.454 122.965 120.500 0.019 0.000 2.271 47 R HA 0.362 4.711 4.340 0.014 0.000 0.117 47 R C -0.012 176.296 176.300 0.014 0.000 1.644 47 R CA 0.165 56.275 56.100 0.016 0.000 1.414 47 R CB 0.212 30.521 30.300 0.016 0.000 1.196 47 R HN 0.593 8.875 8.270 0.020 0.000 0.447 48 T N -1.265 113.297 114.554 0.013 0.000 3.545 48 T HA 0.172 4.529 4.350 0.012 0.000 0.274 48 T C -1.512 173.195 174.700 0.013 0.000 0.989 48 T CA 0.117 62.224 62.100 0.012 0.000 1.129 48 T CB -0.154 68.720 68.868 0.010 0.000 1.165 48 T HN 0.052 8.301 8.240 0.014 0.000 0.436 49 P HA 0.214 4.641 4.420 0.012 0.000 0.281 49 P C -1.182 176.128 177.300 0.016 0.000 1.281 49 P CA -1.068 62.040 63.100 0.013 0.000 0.811 49 P CB 0.546 32.254 31.700 0.013 0.000 1.154 50 E N -0.495 119.715 120.200 0.017 0.000 2.594 50 E HA -0.103 4.260 4.350 0.022 0.000 0.300 50 E C -0.733 175.881 176.600 0.024 0.000 1.568 50 E CA -0.145 56.267 56.400 0.020 0.000 1.811 50 E CB -2.055 27.656 29.700 0.018 0.000 1.458 50 E HN 0.214 8.583 8.360 0.015 0.000 0.470 51 V N 1.346 121.274 119.914 0.024 0.000 3.499 51 V HA 0.034 4.172 4.120 0.030 0.000 0.308 51 V C -0.445 175.670 176.094 0.035 0.000 1.319 51 V CA -0.002 62.315 62.300 0.028 0.000 1.194 51 V CB -0.063 31.772 31.823 0.021 0.000 1.072 51 V HN -0.343 7.755 8.190 0.022 0.105 0.426 52 S N -1.117 114.606 115.700 0.038 0.000 2.626 52 S HA -0.099 4.397 4.470 0.043 0.000 0.257 52 S C -1.128 173.514 174.600 0.070 0.000 1.288 52 S CA -0.495 57.734 58.200 0.048 0.000 0.980 52 S CB 0.882 64.109 63.200 0.045 0.000 0.975 52 S HN -0.633 7.582 8.310 0.034 0.115 0.577 53 D N -0.350 120.103 120.400 0.089 0.000 3.161 53 D HA 0.141 4.859 4.640 0.130 0.000 0.287 53 D C -0.594 175.768 176.300 0.104 0.000 1.343 53 D CA 0.776 54.852 54.000 0.128 0.000 1.070 53 D CB 1.541 42.463 40.800 0.204 0.000 1.188 53 D HN -0.029 8.714 8.370 0.080 -0.324 0.409 54 N N -2.044 116.719 118.700 0.105 0.000 4.147 54 N HA -0.278 4.525 4.740 0.105 0.000 0.320 54 N C -2.725 172.857 175.510 0.120 0.000 2.196 54 N CA -0.138 52.973 53.050 0.101 0.000 2.953 54 N CB -0.316 38.217 38.487 0.076 0.000 0.303 54 N HN -0.125 8.863 8.380 0.109 -0.543 0.729 55 P HA 0.091 4.602 4.420 0.152 0.000 0.266 55 P C -1.718 175.726 177.300 0.239 0.000 1.419 55 P CA 0.321 63.547 63.100 0.210 0.000 1.112 55 P CB -0.450 31.431 31.700 0.301 0.000 1.438 56 V N -1.912 118.090 119.914 0.148 0.000 3.408 56 V HA 0.265 4.462 4.120 0.128 0.000 0.263 56 V C 1.048 177.188 176.094 0.077 0.000 1.503 56 V CA 1.023 63.386 62.300 0.105 0.000 1.046 56 V CB 1.359 33.211 31.823 0.049 0.000 0.851 56 V HN -0.377 7.882 8.190 0.116 0.000 0.435 57 M N -1.377 118.265 119.600 0.070 0.000 2.495 57 M HA 0.291 4.769 4.480 -0.003 0.000 0.237 57 M C 0.388 176.747 176.300 0.099 0.000 1.131 57 M CA 1.633 56.963 55.300 0.049 0.000 1.032 57 M CB 0.038 32.667 32.600 0.048 0.000 1.513 57 M HN -0.264 8.073 8.290 0.079 0.000 0.488 58 I N 0.679 121.310 120.570 0.102 0.000 2.676 58 I HA -0.417 3.779 4.170 0.043 0.000 0.259 58 I C 0.269 176.431 176.117 0.075 0.000 1.194 58 I CA 0.673 62.012 61.300 0.066 0.000 1.473 58 I CB 0.223 38.227 38.000 0.006 0.000 1.096 58 I HN -0.024 8.199 8.210 0.124 0.062 0.443 59 A N -0.990 121.901 122.820 0.118 0.000 1.873 59 A HA -0.334 4.069 4.320 0.138 0.000 0.215 59 A C 1.584 179.175 177.584 0.012 0.000 1.186 59 A CA 3.459 55.553 52.037 0.095 0.000 0.616 59 A CB -0.840 18.212 19.000 0.087 0.000 0.823 59 A HN -0.315 7.879 8.150 0.134 0.037 0.442 60 E N -2.923 117.262 120.200 -0.025 0.000 2.208 60 E HA -0.303 3.986 4.350 -0.101 0.000 0.193 60 E C 1.672 178.276 176.600 0.006 0.000 0.988 60 E CA 2.028 58.368 56.400 -0.099 0.000 0.828 60 E CB -0.495 29.023 29.700 -0.302 0.000 0.763 60 E HN -0.147 8.202 8.360 -0.018 0.000 0.478 61 L N 0.440 121.753 121.223 0.151 0.000 1.994 61 L HA -0.268 4.172 4.340 0.166 0.000 0.208 61 L C 2.302 178.972 176.870 -0.333 0.000 1.071 61 L CA 2.717 57.566 54.840 0.015 0.000 0.745 61 L CB -0.620 41.400 42.059 -0.065 0.000 0.892 61 L HN -0.722 7.583 8.230 0.148 0.014 0.431 62 L N -1.865 119.203 121.223 -0.258 0.000 2.042 62 L HA -0.351 3.585 4.340 -0.673 0.000 0.210 62 L C 1.938 178.684 176.870 -0.206 0.000 1.076 62 L CA 3.054 57.691 54.840 -0.338 0.000 0.749 62 L CB -0.099 41.889 42.059 -0.119 0.000 0.893 62 L HN -0.133 8.014 8.230 -0.138 0.000 0.432 63 R N -4.685 115.749 120.500 -0.110 0.000 2.299 63 R HA -0.156 4.189 4.340 0.008 0.000 0.197 63 R C 0.910 177.166 176.300 -0.074 0.000 0.971 63 R CA 1.879 57.951 56.100 -0.047 0.000 1.030 63 R CB -0.463 29.818 30.300 -0.031 0.000 0.932 63 R HN -0.294 7.825 8.270 -0.097 0.092 0.477 64 E N -0.287 119.795 120.200 -0.198 0.000 2.371 64 E HA -0.104 4.190 4.350 -0.094 0.000 0.194 64 E C -1.092 175.392 176.600 -0.192 0.000 1.012 64 E CA 1.027 57.281 56.400 -0.244 0.000 0.860 64 E CB 0.851 30.342 29.700 -0.348 0.000 0.811 64 E HN -0.424 7.579 8.360 -0.273 0.193 0.502 65 F N -2.424 117.531 119.950 0.008 0.000 2.389 65 F HA 0.440 4.987 4.527 0.033 0.000 0.327 65 F C -2.614 173.269 175.800 0.138 0.000 1.204 65 F CA -4.634 53.409 58.000 0.072 0.000 1.209 65 F CB -0.538 38.580 39.000 0.196 0.000 1.460 65 F HN -0.835 7.297 8.300 -0.220 0.035 0.537 66 P HA 0.248 4.793 4.420 0.209 0.000 0.253 66 P C -0.596 176.728 177.300 0.040 0.000 1.260 66 P CA 0.458 63.642 63.100 0.140 0.000 0.800 66 P CB 0.242 31.989 31.700 0.079 0.000 1.162 67 Q N -2.778 116.939 119.800 -0.138 0.000 2.123 67 Q HA -0.134 4.081 4.340 -0.208 0.000 0.199 67 Q C -0.041 175.725 176.000 -0.390 0.000 0.966 67 Q CA 1.196 56.752 55.803 -0.412 0.000 0.845 67 Q CB 0.406 28.650 28.738 -0.823 0.000 0.907 67 Q HN 0.302 8.410 8.270 -0.097 0.103 0.439 68 F N -3.407 116.640 119.950 0.161 0.000 2.541 68 F HA 0.083 4.557 4.527 -0.089 0.000 0.331 68 F C -0.580 175.256 175.800 0.060 0.000 1.057 68 F CA -1.808 56.149 58.000 -0.070 0.000 0.975 68 F CB 1.331 40.011 39.000 -0.533 0.000 1.246 68 F HN -0.936 7.240 8.300 -0.208 0.000 0.484 69 D N 1.604 122.097 120.400 0.154 0.000 2.467 69 D HA 0.120 4.957 4.640 0.328 0.000 0.220 69 D C -1.080 175.323 176.300 0.173 0.000 1.103 69 D CA -1.064 53.057 54.000 0.201 0.000 0.886 69 D CB 0.110 40.979 40.800 0.116 0.000 1.025 69 D HN 0.174 8.595 8.370 0.084 0.000 0.514 70 W N 2.848 124.250 121.300 0.169 0.000 2.272 70 W HA 0.060 4.932 4.660 0.122 -0.139 0.318 70 W C 0.210 176.818 176.519 0.149 0.000 1.255 70 W CA -0.768 56.671 57.345 0.157 0.000 1.200 70 W CB 0.385 29.962 29.460 0.195 0.000 1.170 70 W HN -0.132 8.543 8.180 0.825 0.000 0.549 71 Q N 1.783 121.782 119.800 0.332 0.000 2.271 71 Q HA 0.230 4.789 4.340 0.364 0.000 0.258 71 Q C -0.897 175.412 176.000 0.516 0.000 0.936 71 Q CA -0.716 55.307 55.803 0.367 0.000 0.909 71 Q CB 1.357 30.230 28.738 0.225 0.000 1.253 71 Q HN 0.282 8.685 8.270 0.221 0.000 0.440 72 V N 4.842 124.996 119.914 0.401 0.000 2.472 72 V HA 0.784 5.237 4.120 0.156 -0.239 0.290 72 V C -1.119 174.998 176.094 0.038 0.000 1.037 72 V CA -1.258 61.095 62.300 0.088 0.000 0.908 72 V CB 1.978 33.516 31.823 -0.476 0.000 0.985 72 V HN 0.512 8.958 8.190 0.427 0.000 0.454 73 A N 5.687 128.396 122.820 -0.184 0.000 2.423 73 A HA 0.960 5.400 4.320 -0.143 -0.206 0.304 73 A C -2.273 175.179 177.584 -0.220 0.000 1.104 73 A CA -2.398 49.445 52.037 -0.323 0.000 0.757 73 A CB 3.863 22.276 19.000 -0.978 0.000 1.313 73 A HN 0.709 8.758 8.150 -0.169 0.000 0.423 74 V N -5.894 113.976 119.914 -0.072 0.000 2.495 74 V HA 0.890 5.177 4.120 -0.015 -0.177 0.298 74 V C -1.022 175.154 176.094 0.138 0.000 1.031 74 V CA -3.221 59.111 62.300 0.052 0.000 0.871 74 V CB 2.772 34.675 31.823 0.132 0.000 0.988 74 V HN 0.785 8.837 8.190 -0.048 0.109 0.432 75 A N 3.713 126.610 122.820 0.128 0.000 2.507 75 A HA 0.449 4.818 4.320 0.081 0.000 0.270 75 A C -0.946 176.718 177.584 0.133 0.000 1.318 75 A CA -1.802 50.300 52.037 0.107 0.000 0.924 75 A CB 0.327 19.368 19.000 0.070 0.000 1.061 75 A HN 0.433 8.645 8.150 0.104 0.000 0.516 76 D N -2.918 117.662 120.400 0.299 0.000 3.565 76 D HA -0.435 4.531 4.640 0.544 0.000 0.257 76 D C 0.509 176.852 176.300 0.073 0.000 1.938 76 D CA 2.262 56.361 54.000 0.165 0.000 1.130 76 D CB 0.031 40.669 40.800 -0.272 0.000 0.859 76 D HN -0.439 8.147 8.370 0.502 0.085 1.039 77 L N -1.660 119.523 121.223 -0.068 0.000 2.388 77 L HA -0.007 4.336 4.340 0.004 0.000 0.209 77 L C 0.873 177.693 176.870 -0.084 0.000 1.061 77 L CA 2.273 57.083 54.840 -0.051 0.000 0.834 77 L CB 0.553 42.571 42.059 -0.068 0.000 1.029 77 L HN 0.072 8.172 8.230 -0.218 0.000 0.473 78 E N -1.340 118.773 120.200 -0.145 0.000 2.033 78 E HA -0.259 4.030 4.350 -0.103 0.000 0.189 78 E C 2.628 179.178 176.600 -0.083 0.000 0.979 78 E CA 2.804 59.129 56.400 -0.125 0.000 0.802 78 E CB -0.050 29.549 29.700 -0.168 0.000 0.763 78 E HN -0.586 7.949 8.360 -0.222 -0.307 0.449 79 Q N -0.769 118.983 119.800 -0.080 0.000 2.181 79 Q HA -0.303 4.010 4.340 -0.044 0.000 0.205 79 Q C 2.546 178.537 176.000 -0.013 0.000 0.980 79 Q CA 2.700 58.479 55.803 -0.040 0.000 0.862 79 Q CB -1.113 27.612 28.738 -0.022 0.000 0.905 79 Q HN 0.309 8.510 8.270 -0.116 0.000 0.429 80 S N 0.687 116.387 115.700 -0.001 0.000 2.402 80 S HA -0.380 4.121 4.470 0.053 0.000 0.233 80 S C 2.019 176.623 174.600 0.007 0.000 1.030 80 S CA 4.198 62.413 58.200 0.024 0.000 1.003 80 S CB -0.494 62.723 63.200 0.028 0.000 0.813 80 S HN -0.134 8.153 8.310 -0.010 0.017 0.477 81 E N 1.208 121.394 120.200 -0.022 0.000 2.072 81 E HA -0.336 3.994 4.350 -0.033 0.000 0.190 81 E C 1.737 178.316 176.600 -0.035 0.000 0.982 81 E CA 3.162 59.541 56.400 -0.035 0.000 0.803 81 E CB -0.078 29.591 29.700 -0.051 0.000 0.755 81 E HN -0.179 8.022 8.360 -0.033 0.140 0.453 82 A N -0.320 122.475 122.820 -0.042 0.000 1.897 82 A HA -0.144 4.142 4.320 -0.058 0.000 0.215 82 A C 2.300 179.832 177.584 -0.086 0.000 1.181 82 A CA 2.663 54.665 52.037 -0.058 0.000 0.620 82 A CB -0.677 18.289 19.000 -0.057 0.000 0.821 82 A HN -0.631 7.495 8.150 -0.041 0.000 0.443 83 I N -2.054 118.480 120.570 -0.061 0.000 2.226 83 I HA -0.499 3.527 4.170 -0.240 0.000 0.245 83 I C 1.845 177.945 176.117 -0.028 0.000 1.100 83 I CA 3.956 65.208 61.300 -0.080 0.000 1.374 83 I CB -0.234 37.812 38.000 0.077 0.000 1.057 83 I HN 0.637 8.721 8.210 -0.030 0.108 0.413 84 G N -1.315 107.517 108.800 0.053 0.000 2.422 84 G HA2 -0.444 3.630 3.960 0.190 0.000 0.218 84 G HA3 -0.444 3.616 3.960 0.081 -0.051 0.218 84 G C 0.510 175.443 174.900 0.054 0.000 1.146 84 G CA 2.204 47.364 45.100 0.099 0.000 0.769 84 G HN 0.200 8.396 8.290 0.039 0.117 0.547 85 D N 2.414 122.809 120.400 -0.009 0.000 2.097 85 D HA -0.311 4.333 4.640 0.007 0.000 0.195 85 D C 1.874 178.141 176.300 -0.055 0.000 0.989 85 D CA 3.203 57.189 54.000 -0.023 0.000 0.827 85 D CB 0.121 40.897 40.800 -0.040 0.000 0.966 85 D HN -0.592 7.758 8.370 -0.023 0.007 0.456 86 R N -1.038 119.362 120.500 -0.167 0.000 2.081 86 R HA -0.239 3.998 4.340 -0.172 0.000 0.235 86 R C 2.083 178.252 176.300 -0.218 0.000 1.131 86 R CA 2.679 58.607 56.100 -0.287 0.000 0.960 86 R CB 0.010 29.974 30.300 -0.560 0.000 0.856 86 R HN -0.532 7.550 8.270 -0.186 0.076 0.436 87 F N -5.653 114.338 119.950 0.068 0.000 2.732 87 F HA 0.093 4.658 4.527 0.064 0.000 0.303 87 F C -1.397 174.426 175.800 0.037 0.000 1.110 87 F CA -0.074 57.964 58.000 0.063 0.000 1.355 87 F CB -0.490 38.562 39.000 0.086 0.000 1.081 87 F HN -0.529 7.683 8.300 -0.147 0.000 0.565 88 N N -3.973 114.822 118.700 0.159 0.000 2.776 88 N HA -0.322 4.466 4.740 0.079 0.000 0.249 88 N C -0.361 175.218 175.510 0.116 0.000 1.111 88 N CA 0.886 54.001 53.050 0.108 0.000 0.711 88 N CB -1.476 37.065 38.487 0.089 0.000 1.065 88 N HN -0.562 7.685 8.380 0.102 0.194 0.556 89 V N -2.130 117.870 119.914 0.143 0.000 3.596 89 V HA 0.038 4.231 4.120 0.121 0.000 0.289 89 V C -0.125 176.074 176.094 0.174 0.000 1.336 89 V CA -1.387 61.000 62.300 0.146 0.000 1.137 89 V CB -0.290 31.628 31.823 0.158 0.000 0.966 89 V HN 0.046 8.309 8.190 0.161 0.024 0.428 90 R N -0.864 119.718 120.500 0.137 0.000 1.478 90 R HA -0.499 3.895 4.340 0.090 0.000 0.042 90 R C -1.066 175.279 176.300 0.074 0.000 0.955 90 R CA 2.992 59.172 56.100 0.132 0.000 1.937 90 R CB -1.258 29.182 30.300 0.234 0.000 0.236 90 R HN -0.302 7.933 8.270 0.111 0.101 0.725 91 R N -2.651 117.889 120.500 0.068 0.000 2.436 91 R HA 0.062 4.375 4.340 -0.043 0.000 0.209 91 R C -1.129 175.033 176.300 -0.230 0.000 0.593 91 R CA -0.056 55.979 56.100 -0.108 0.000 0.818 91 R CB 1.066 31.239 30.300 -0.213 0.000 1.400 91 R HN -0.355 8.032 8.270 0.236 0.024 0.523 92 F N 1.025 120.989 119.950 0.024 0.000 2.440 92 F HA 0.338 4.874 4.527 0.016 0.000 0.328 92 F C -1.742 174.075 175.800 0.029 0.000 1.070 92 F CA -2.528 55.485 58.000 0.021 0.000 1.011 92 F CB 0.750 39.759 39.000 0.015 0.000 1.226 92 F HN -0.755 7.718 8.300 0.288 0.000 0.491 93 P HA -0.033 4.453 4.420 0.111 0.000 0.267 93 P C -1.739 175.643 177.300 0.137 0.000 1.209 93 P CA -0.128 63.059 63.100 0.144 0.000 0.763 93 P CB 0.047 31.822 31.700 0.125 0.000 0.816 94 A N 2.526 125.409 122.820 0.106 0.000 2.608 94 A HA 0.178 4.634 4.320 0.076 -0.091 0.292 94 A C -1.851 175.767 177.584 0.057 0.000 1.066 94 A CA -0.496 51.590 52.037 0.081 0.000 0.676 94 A CB 3.480 22.530 19.000 0.084 0.000 1.277 94 A HN -0.188 8.021 8.150 0.099 0.000 0.413 95 T N 2.254 116.826 114.554 0.030 0.000 2.837 95 T HA 0.470 4.999 4.350 0.013 -0.172 0.285 95 T C -0.557 174.149 174.700 0.009 0.000 0.984 95 T CA -0.549 61.557 62.100 0.011 0.000 1.049 95 T CB 0.981 69.840 68.868 -0.016 0.000 0.947 95 T HN 0.119 8.374 8.240 0.026 0.000 0.472 96 L N 6.168 127.408 121.223 0.029 0.000 2.265 96 L HA 0.203 4.582 4.340 -0.125 -0.113 0.288 96 L C -1.066 175.784 176.870 -0.034 0.000 1.058 96 L CA -1.085 53.727 54.840 -0.048 0.000 0.809 96 L CB -0.389 41.672 42.059 0.003 0.000 1.179 96 L HN 0.397 8.662 8.230 0.058 0.000 0.429 97 V N 4.676 124.471 119.914 -0.199 0.000 2.353 97 V HA -0.038 4.169 4.120 0.145 0.000 0.264 97 V C -1.681 174.221 176.094 -0.320 0.000 1.049 97 V CA 0.357 62.606 62.300 -0.085 0.000 0.896 97 V CB -0.281 31.507 31.823 -0.058 0.000 1.025 97 V HN 0.855 8.870 8.190 -0.293 0.000 0.475 98 F N 8.539 128.511 119.950 0.037 0.000 2.449 98 F HA 0.703 5.298 4.527 -0.130 -0.146 0.342 98 F C -0.807 174.853 175.800 -0.234 0.000 1.127 98 F CA -1.548 56.397 58.000 -0.091 0.000 0.975 98 F CB 2.914 41.876 39.000 -0.063 0.000 1.146 98 F HN 0.516 9.023 8.300 0.345 0.000 0.444 99 T N -1.171 113.288 114.554 -0.159 0.000 2.900 99 T HA 0.638 4.818 4.350 -0.607 -0.195 0.303 99 T C -0.112 174.393 174.700 -0.325 0.000 1.142 99 T CA -1.663 60.163 62.100 -0.457 0.000 1.007 99 T CB 3.010 71.476 68.868 -0.670 0.000 1.156 99 T HN 0.562 8.741 8.240 -0.102 0.000 0.490 100 D N 1.607 121.769 120.400 -0.396 0.000 3.077 100 D HA -0.407 4.077 4.640 -0.261 0.000 0.217 100 D C -0.039 176.165 176.300 -0.160 0.000 1.162 100 D CA 2.036 55.883 54.000 -0.255 0.000 0.943 100 D CB -1.010 39.667 40.800 -0.205 0.000 1.122 100 D HN 1.037 9.497 8.370 -0.552 -0.421 0.413 101 G N -3.443 105.268 108.800 -0.149 0.000 2.179 101 G HA2 -0.448 3.507 3.960 -0.113 0.000 0.257 101 G HA3 -0.448 3.451 3.960 -0.102 0.000 0.257 101 G C -1.715 173.191 174.900 0.011 0.000 1.010 101 G CA 0.645 45.693 45.100 -0.088 0.000 0.736 101 G HN 0.229 8.255 8.290 -0.200 0.144 0.513 102 K N -2.117 118.318 120.400 0.058 0.000 2.477 102 K HA 0.359 4.775 4.320 0.159 0.000 0.255 102 K C -2.359 174.292 176.600 0.085 0.000 0.952 102 K CA -2.109 54.236 56.287 0.098 0.000 0.826 102 K CB 3.804 36.303 32.500 -0.002 0.000 1.331 102 K HN -0.270 7.814 8.250 -0.000 0.166 0.437 103 L N 3.819 125.038 121.223 -0.007 0.000 2.313 103 L HA 0.156 3.794 4.340 -1.170 0.000 0.282 103 L C 0.286 176.946 176.870 -0.349 0.000 1.092 103 L CA 0.385 54.928 54.840 -0.495 0.000 0.831 103 L CB -0.081 41.738 42.059 -0.401 0.000 1.159 103 L HN 0.422 8.708 8.230 0.094 0.000 0.442 104 R N 4.678 124.927 120.500 -0.418 0.000 2.140 104 R HA 0.143 4.375 4.340 -0.180 0.000 0.213 104 R C 0.587 176.753 176.300 -0.224 0.000 1.059 104 R CA -0.371 55.581 56.100 -0.246 0.000 1.000 104 R CB 0.941 31.125 30.300 -0.192 0.000 0.910 104 R HN 0.724 8.634 8.270 -0.600 0.000 0.455 105 G N -4.154 104.457 108.800 -0.315 0.000 2.332 105 G HA2 -0.101 3.743 3.960 -0.193 0.000 0.265 105 G HA3 -0.101 3.774 3.960 -0.141 0.000 0.265 105 G C -3.296 171.474 174.900 -0.217 0.000 1.329 105 G CA -0.288 44.682 45.100 -0.216 0.000 0.949 105 G HN -0.857 7.142 8.290 -0.485 0.000 0.476 106 A N -1.105 121.650 122.820 -0.109 0.000 2.386 106 A HA 0.902 5.319 4.320 -0.091 -0.152 0.308 106 A C -0.951 176.611 177.584 -0.036 0.000 1.128 106 A CA -1.885 50.114 52.037 -0.063 0.000 0.789 106 A CB 3.137 22.136 19.000 -0.001 0.000 1.325 106 A HN 0.066 8.170 8.150 -0.077 0.000 0.437 107 L N 1.204 122.417 121.223 -0.017 0.000 2.504 107 L HA 0.316 4.642 4.340 -0.024 0.000 0.249 107 L C -1.626 175.250 176.870 0.009 0.000 1.120 107 L CA -0.901 53.931 54.840 -0.013 0.000 0.997 107 L CB -0.836 41.210 42.059 -0.021 0.000 1.349 107 L HN 0.032 8.258 8.230 -0.007 0.000 0.439 108 S N 2.791 118.494 115.700 0.004 0.000 2.420 108 S HA 0.148 4.635 4.470 0.028 0.000 0.313 108 S C 0.227 174.814 174.600 -0.023 0.000 1.079 108 S CA -0.296 57.907 58.200 0.004 0.000 1.104 108 S CB 0.285 63.484 63.200 -0.001 0.000 0.969 108 S HN -0.161 8.145 8.310 -0.007 0.000 0.471 109 G N 7.431 116.225 108.800 -0.009 0.000 2.566 109 G HA2 -0.213 3.735 3.960 -0.020 0.000 0.599 109 G HA3 -0.213 3.727 3.960 -0.033 0.000 0.599 109 G C -2.125 172.788 174.900 0.021 0.000 1.292 109 G CA -0.863 44.230 45.100 -0.012 0.000 0.922 109 G HN 0.003 8.303 8.290 0.016 0.000 0.514 110 I N -2.764 117.819 120.570 0.020 0.000 7.907 110 I HA -0.306 3.878 4.170 0.022 0.000 0.126 110 I C -1.564 174.593 176.117 0.068 0.000 1.799 110 I CA 0.038 61.350 61.300 0.020 0.000 2.135 110 I CB -1.243 36.739 38.000 -0.031 0.000 3.645 110 I HN 0.034 8.249 8.210 0.008 0.000 0.198 111 H N 6.800 125.862 119.070 -0.013 0.000 2.406 111 H HA 0.210 4.770 4.556 0.006 0.000 0.304 111 H C -1.649 173.704 175.328 0.042 0.000 1.042 111 H CA 1.231 57.286 56.048 0.012 0.000 1.360 111 H CB 0.435 30.210 29.762 0.021 0.000 1.448 111 H HN 0.152 8.528 8.280 0.161 0.000 0.553 112 P HA 0.050 4.513 4.420 0.071 0.000 0.274 112 P C -0.690 176.666 177.300 0.092 0.000 1.256 112 P CA -0.669 62.479 63.100 0.079 0.000 0.795 112 P CB 0.675 32.434 31.700 0.097 0.000 1.038 113 W N -0.193 121.071 121.300 -0.060 0.000 1.711 113 W HA -0.209 4.410 4.660 -0.068 0.000 0.463 113 W C 1.094 177.594 176.519 -0.031 0.000 2.053 113 W CA 1.046 58.356 57.345 -0.057 0.000 2.290 113 W CB 0.922 30.342 29.460 -0.066 0.000 1.607 113 W HN -0.032 8.338 8.180 0.316 0.000 0.789 114 A N -2.152 120.743 122.820 0.125 0.000 1.282 114 A HA -0.590 3.805 4.320 0.124 0.000 0.226 114 A C 1.266 178.814 177.584 -0.061 0.000 0.465 114 A CA 2.604 54.682 52.037 0.069 0.000 1.095 114 A CB -1.543 17.519 19.000 0.103 0.000 1.470 114 A HN 0.567 8.867 8.150 0.249 0.000 0.723 115 E N 0.181 120.347 120.200 -0.057 0.000 2.106 115 E HA -0.311 4.011 4.350 -0.046 0.000 0.192 115 E C 2.099 178.619 176.600 -0.133 0.000 0.984 115 E CA 2.333 58.692 56.400 -0.068 0.000 0.806 115 E CB 0.045 29.723 29.700 -0.037 0.000 0.750 115 E HN -0.244 8.051 8.360 -0.018 0.054 0.458 116 L N -0.632 120.449 121.223 -0.238 0.000 2.042 116 L HA -0.314 3.899 4.340 -0.212 0.000 0.210 116 L C 1.605 178.285 176.870 -0.317 0.000 1.076 116 L CA 3.321 57.964 54.840 -0.328 0.000 0.749 116 L CB -0.093 41.635 42.059 -0.552 0.000 0.893 116 L HN -0.477 7.592 8.230 -0.242 0.016 0.432 117 L N -3.424 117.573 121.223 -0.376 0.000 1.970 117 L HA -0.495 3.760 4.340 -0.143 0.000 0.212 117 L C 2.150 178.999 176.870 -0.035 0.000 1.071 117 L CA 3.393 58.126 54.840 -0.179 0.000 0.751 117 L CB -0.492 41.492 42.059 -0.124 0.000 0.889 117 L HN -0.811 7.128 8.230 -0.466 0.011 0.432 118 T N 0.735 115.260 114.554 -0.047 0.000 2.788 118 T HA -0.427 3.923 4.350 0.000 0.000 0.268 118 T C 2.239 176.921 174.700 -0.029 0.000 1.044 118 T CA 4.440 66.528 62.100 -0.020 0.000 1.139 118 T CB -0.047 68.810 68.868 -0.018 0.000 0.867 118 T HN -0.757 7.440 8.240 -0.072 0.000 0.454 119 L N 1.649 122.842 121.223 -0.049 0.000 1.994 119 L HA -0.269 4.048 4.340 -0.038 0.000 0.208 119 L C 1.583 178.429 176.870 -0.039 0.000 1.071 119 L CA 3.293 58.105 54.840 -0.047 0.000 0.745 119 L CB -0.506 41.517 42.059 -0.060 0.000 0.892 119 L HN 0.186 8.374 8.230 -0.070 0.000 0.431 120 M N -1.307 118.272 119.600 -0.035 0.000 2.175 120 M HA -0.468 3.998 4.480 -0.022 0.000 0.264 120 M C 2.038 178.322 176.300 -0.026 0.000 1.063 120 M CA 3.709 59.003 55.300 -0.009 0.000 1.119 120 M CB -0.023 32.610 32.600 0.055 0.000 1.377 120 M HN 0.247 8.396 8.290 -0.055 0.107 0.415 121 R N -1.236 119.254 120.500 -0.017 0.000 2.096 121 R HA -0.396 3.867 4.340 -0.129 0.000 0.235 121 R C 2.183 178.456 176.300 -0.045 0.000 1.127 121 R CA 3.298 59.366 56.100 -0.053 0.000 0.968 121 R CB -0.321 29.976 30.300 -0.005 0.000 0.861 121 R HN 0.311 8.485 8.270 0.015 0.105 0.440 122 S N -3.177 112.504 115.700 -0.032 0.000 2.400 122 S HA -0.217 4.238 4.470 -0.026 0.000 0.232 122 S C 1.982 176.560 174.600 -0.037 0.000 1.025 122 S CA 2.783 60.965 58.200 -0.030 0.000 0.993 122 S CB -0.111 63.073 63.200 -0.027 0.000 0.808 122 S HN -0.346 7.935 8.310 -0.027 0.012 0.478 123 I N -1.059 119.484 120.570 -0.045 0.000 2.494 123 I HA -0.232 3.909 4.170 -0.049 0.000 0.250 123 I C 0.404 176.485 176.117 -0.059 0.000 1.112 123 I CA 2.355 63.624 61.300 -0.052 0.000 1.438 123 I CB 1.148 39.115 38.000 -0.056 0.000 1.111 123 I HN -0.681 7.359 8.210 -0.044 0.144 0.431 124 V N -7.169 112.706 119.914 -0.065 0.000 3.189 124 V HA -0.021 4.058 4.120 -0.068 0.000 0.366 124 V C -0.942 175.120 176.094 -0.053 0.000 1.313 124 V CA -1.204 61.056 62.300 -0.067 0.000 1.302 124 V CB -0.695 31.085 31.823 -0.073 0.000 1.260 124 V HN -0.362 7.786 8.190 -0.069 0.000 0.484 125 D N 0.852 121.226 120.400 -0.044 0.000 2.097 125 D HA -0.202 4.452 4.640 -0.033 -0.033 0.195 125 D C 0.353 176.645 176.300 -0.014 0.000 0.989 125 D CA 2.239 56.221 54.000 -0.029 0.000 0.827 125 D CB 0.729 41.514 40.800 -0.025 0.000 0.966 125 D HN 0.045 8.286 8.370 -0.046 0.102 0.456 126 T N -3.097 111.447 114.554 -0.018 0.000 2.848 126 T HA 0.417 4.770 4.350 0.006 0.000 0.285 126 T C -2.154 172.535 174.700 -0.019 0.000 0.995 126 T CA -2.879 59.215 62.100 -0.009 0.000 0.970 126 T CB 1.219 70.079 68.868 -0.014 0.000 0.976 126 T HN -0.467 7.756 8.240 -0.029 0.000 0.441 127 P HA -0.185 4.185 4.420 -0.082 0.000 0.271 127 P C -1.188 176.081 177.300 -0.050 0.000 1.233 127 P CA -0.325 62.754 63.100 -0.035 0.000 0.789 127 P CB 0.580 32.288 31.700 0.013 0.000 0.951 128 A N 0.854 123.628 122.820 -0.077 0.000 2.566 128 A HA 0.297 4.589 4.320 -0.047 0.000 0.291 128 A C -2.147 175.398 177.584 -0.065 0.000 1.278 128 A CA -0.951 51.048 52.037 -0.064 0.000 0.711 128 A CB 2.192 21.151 19.000 -0.069 0.000 1.332 128 A HN 0.380 8.996 8.150 -0.109 -0.532 0.478 129 A N -0.228 122.560 122.820 -0.053 0.000 2.371 129 A HA 0.353 4.638 4.320 -0.058 0.000 0.311 129 A C -0.993 176.563 177.584 -0.045 0.000 1.068 129 A CA -0.664 51.343 52.037 -0.049 0.000 0.744 129 A CB 1.177 20.156 19.000 -0.036 0.000 1.239 129 A HN 0.050 8.172 8.150 -0.047 0.000 0.435 130 Q N 3.286 123.057 119.800 -0.049 0.000 2.306 130 Q HA 0.038 4.358 4.340 -0.033 0.000 0.241 130 Q C 0.961 176.945 176.000 -0.027 0.000 0.948 130 Q CA -0.493 55.287 55.803 -0.039 0.000 0.886 130 Q CB 0.912 29.621 28.738 -0.049 0.000 1.227 130 Q HN 0.122 8.359 8.270 -0.056 0.000 0.457 131 E N 3.192 123.382 120.200 -0.017 0.000 2.160 131 E HA -0.177 4.166 4.350 -0.012 0.000 0.195 131 E C -0.223 176.367 176.600 -0.016 0.000 0.991 131 E CA 1.659 58.052 56.400 -0.012 0.000 0.810 131 E CB -0.138 29.560 29.700 -0.002 0.000 0.742 131 E HN 0.419 8.772 8.360 -0.011 0.000 0.466 132 T N -3.087 111.454 114.554 -0.021 0.000 2.995 132 T HA -0.397 3.933 4.350 -0.033 0.000 0.456 132 T C -1.066 173.621 174.700 -0.020 0.000 0.777 132 T CA 1.218 63.303 62.100 -0.026 0.000 2.404 132 T CB -0.535 68.317 68.868 -0.027 0.000 1.682 132 T HN -0.017 8.186 8.240 -0.023 0.023 0.624 133 V N 3.307 123.209 119.914 -0.020 0.000 2.538 133 V HA 0.174 4.285 4.120 -0.016 0.000 0.265 133 V C -1.326 174.756 176.094 -0.020 0.000 0.977 133 V CA -0.761 61.530 62.300 -0.016 0.000 0.852 133 V CB 1.062 32.880 31.823 -0.008 0.000 1.058 133 V HN -0.341 7.836 8.190 -0.022 0.000 0.462 134 Q N 7.077 126.861 119.800 -0.027 0.000 2.508 134 Q HA 0.207 4.528 4.340 -0.033 0.000 0.247 134 Q C -1.298 174.683 176.000 -0.032 0.000 1.047 134 Q CA -1.099 54.684 55.803 -0.034 0.000 0.783 134 Q CB -0.072 28.638 28.738 -0.046 0.000 1.172 134 Q HN -0.118 8.137 8.270 -0.025 0.000 0.515 135 L N 5.288 126.496 121.223 -0.026 0.000 2.288 135 L HA 0.207 4.534 4.340 -0.022 0.000 0.283 135 L C -0.775 176.081 176.870 -0.024 0.000 1.072 135 L CA -0.062 54.765 54.840 -0.021 0.000 0.862 135 L CB -0.618 41.431 42.059 -0.016 0.000 1.245 135 L HN 0.418 8.635 8.230 -0.022 0.000 0.432 136 E N 5.471 125.641 120.200 -0.050 0.000 2.202 136 E HA 0.260 4.551 4.350 -0.098 0.000 0.272 136 E C -0.964 175.580 176.600 -0.094 0.000 0.951 136 E CA -0.849 55.487 56.400 -0.108 0.000 0.813 136 E CB 1.685 31.282 29.700 -0.172 0.000 1.151 136 E HN 0.084 8.415 8.360 -0.048 0.000 0.398 137 H N 0.220 119.178 119.070 -0.186 0.000 2.747 137 H HA 0.314 4.806 4.556 -0.106 0.000 0.371 137 H C -1.125 174.043 175.328 -0.267 0.000 1.161 137 H CA -0.637 55.317 56.048 -0.156 0.000 1.167 137 H CB 1.128 30.843 29.762 -0.078 0.000 1.732 137 H HN 0.202 8.267 8.280 -0.358 0.000 0.544 138 H N 1.872 120.942 119.070 0.001 0.000 2.283 138 H HA -0.014 4.359 4.556 -0.306 0.000 0.320 138 H C -0.591 174.586 175.328 -0.252 0.000 1.074 138 H CA 0.824 56.774 56.048 -0.163 0.000 1.476 138 H CB 0.962 30.702 29.762 -0.036 0.000 1.465 138 H HN 0.431 8.879 8.280 0.279 0.000 0.573 139 H N -1.038 118.261 119.070 0.382 0.000 3.021 139 H HA 0.270 5.043 4.556 0.363 0.000 0.293 139 H C -0.915 174.567 175.328 0.256 0.000 1.244 139 H CA 0.038 56.264 56.048 0.297 0.000 1.596 139 H CB 0.498 30.358 29.762 0.164 0.000 1.720 139 H HN -0.224 8.298 8.280 0.405 0.000 0.537 140 H N 4.392 123.585 119.070 0.206 0.000 2.470 140 H HA -0.143 4.492 4.556 0.131 0.000 0.289 140 H C -0.390 175.071 175.328 0.222 0.000 1.033 140 H CA 1.540 57.655 56.048 0.112 0.000 1.331 140 H CB 1.017 30.740 29.762 -0.064 0.000 1.414 140 H HN 0.704 9.187 8.280 0.338 0.000 0.545 141 H N -6.506 112.654 119.070 0.151 0.000 1.910 141 H HA -0.061 4.546 4.556 0.085 0.000 0.125 141 H C -2.026 173.474 175.328 0.288 0.000 0.921 141 H CA 0.608 56.742 56.048 0.144 0.000 0.489 141 H CB 0.656 30.476 29.762 0.096 0.000 0.398 141 H HN 0.207 8.656 8.280 0.305 0.014 0.281 142 H N 0.000 119.189 119.070 0.198 0.000 2.539 142 H HA 0.000 4.692 4.556 0.226 0.000 0.296 142 H CA 0.000 56.171 56.048 0.205 0.000 1.023 142 H CB 0.000 29.843 29.762 0.135 0.000 1.292 142 H HN 0.000 8.463 8.280 0.305 0.000 0.496