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 2a2p_1_A DATA FIRST_RESID 24 DATA SEQUENCE MTNYRPDWNR LRGLARGRVE TCGGCQLNRL KEVKAFVTED IQLYHNLVMK DATA SEQUENCE HLPGADPELV LLSRNYQELE RIPLSQMTRD EINALVQELG FYRKSAPEAQ DATA SEQUENCE VPPEYLWAPA KPPEEASEHD DLEHHHHHH 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 24 M HA 0.000 4.488 4.480 0.013 0.000 0.227 24 M C 0.000 176.314 176.300 0.023 0.000 1.140 24 M CA 0.000 55.309 55.300 0.015 0.000 0.988 24 M CB 0.000 32.609 32.600 0.016 0.000 1.302 25 T N 0.541 115.109 114.554 0.023 0.000 13.467 25 T HA -0.517 3.850 4.350 0.027 0.000 0.419 25 T C -0.048 174.691 174.700 0.066 0.000 1.441 25 T CA 2.318 64.441 62.100 0.038 0.000 2.354 25 T CB -0.759 68.133 68.868 0.039 0.000 2.797 25 T HN 0.093 8.342 8.240 0.014 0.000 0.557 26 N N -0.681 118.062 118.700 0.071 0.000 2.727 26 N HA -0.394 4.381 4.740 0.058 0.000 0.251 26 N C -1.663 173.904 175.510 0.096 0.000 1.040 26 N CA 0.990 54.080 53.050 0.066 0.000 0.712 26 N CB -1.141 37.371 38.487 0.041 0.000 0.912 26 N HN 0.192 8.593 8.380 0.062 0.016 0.545 27 Y N -0.779 119.514 120.300 -0.010 0.000 2.376 27 Y HA 0.046 4.579 4.550 -0.027 0.000 0.325 27 Y C -0.569 175.319 175.900 -0.019 0.000 1.199 27 Y CA -0.012 58.073 58.100 -0.026 0.000 1.206 27 Y CB 1.244 39.676 38.460 -0.046 0.000 1.229 27 Y HN -0.315 8.086 8.280 0.202 0.000 0.480 28 R N 6.353 126.218 120.500 -1.059 0.000 2.604 28 R HA 0.470 4.393 4.340 -0.695 0.000 0.281 28 R C -2.733 172.867 176.300 -1.166 0.000 1.020 28 R CA -2.769 52.810 56.100 -0.869 0.000 0.899 28 R CB 0.914 31.025 30.300 -0.315 0.000 1.205 28 R HN 0.133 7.794 8.270 -1.015 0.000 0.450 29 P HA 0.154 4.241 4.420 -0.555 0.000 0.286 29 P C -0.984 175.913 177.300 -0.672 0.000 1.293 29 P CA -0.870 61.732 63.100 -0.831 0.000 0.770 29 P CB 1.312 32.341 31.700 -1.118 0.000 1.206 30 D N 0.370 120.481 120.400 -0.483 0.000 2.781 30 D HA 0.242 4.766 4.640 -0.194 0.000 0.254 30 D C 0.562 176.756 176.300 -0.177 0.000 1.213 30 D CA -0.325 53.525 54.000 -0.251 0.000 0.994 30 D CB -1.426 39.300 40.800 -0.124 0.000 1.019 30 D HN 0.303 8.408 8.370 -0.441 0.000 0.514 31 W N 1.044 122.329 121.300 -0.024 0.000 2.313 31 W HA -0.504 4.159 4.660 0.005 0.000 0.293 31 W C 1.361 177.881 176.519 0.001 0.000 1.216 31 W CA 3.260 60.601 57.345 -0.007 0.000 1.223 31 W CB -0.314 29.138 29.460 -0.013 0.000 1.138 31 W HN -0.406 7.506 8.180 -0.366 0.048 0.535 32 N N -2.955 115.859 118.700 0.190 0.000 2.270 32 N HA -0.209 4.607 4.740 0.127 0.000 0.181 32 N C 0.974 176.532 175.510 0.080 0.000 1.016 32 N CA 2.224 55.343 53.050 0.116 0.000 0.870 32 N CB -0.213 38.319 38.487 0.076 0.000 0.979 32 N HN 0.040 8.482 8.380 0.155 0.031 0.431 33 R N -2.621 117.910 120.500 0.051 0.000 2.246 33 R HA -0.030 4.330 4.340 0.034 0.000 0.199 33 R C 1.482 177.807 176.300 0.041 0.000 0.984 33 R CA 1.545 57.663 56.100 0.030 0.000 1.015 33 R CB 0.534 30.833 30.300 -0.002 0.000 0.930 33 R HN -0.079 8.078 8.270 0.034 0.133 0.475 34 L N -2.832 118.430 121.223 0.066 0.000 2.477 34 L HA 0.079 4.457 4.340 0.063 0.000 0.220 34 L C -0.283 176.682 176.870 0.158 0.000 1.106 34 L CA 0.199 55.099 54.840 0.099 0.000 0.851 34 L CB 0.166 42.277 42.059 0.087 0.000 0.994 34 L HN 0.263 8.293 8.230 0.077 0.246 0.462 35 R N -0.080 120.516 120.500 0.160 0.000 2.695 35 R HA -0.400 4.036 4.340 0.159 0.000 0.304 35 R C 0.660 177.022 176.300 0.104 0.000 0.836 35 R CA 1.878 58.058 56.100 0.134 0.000 1.135 35 R CB -0.262 30.096 30.300 0.097 0.000 0.882 35 R HN -0.595 7.731 8.270 0.156 0.037 0.413 36 G N 1.666 110.529 108.800 0.105 0.000 2.284 36 G HA2 -0.265 3.735 3.960 0.066 0.000 0.201 36 G HA3 -0.265 3.739 3.960 0.073 0.000 0.201 36 G C -0.677 174.282 174.900 0.098 0.000 0.998 36 G CA -0.426 44.724 45.100 0.083 0.000 0.651 36 G HN 0.069 8.429 8.290 0.117 0.000 0.489 37 L N 2.289 123.596 121.223 0.139 0.000 2.700 37 L HA -0.068 4.596 4.340 0.140 -0.240 0.272 37 L C -1.450 175.514 176.870 0.157 0.000 1.176 37 L CA 0.645 55.586 54.840 0.168 0.000 0.961 37 L CB -0.538 41.665 42.059 0.240 0.000 1.249 37 L HN -0.442 7.817 8.230 0.158 0.066 0.487 38 A N 5.743 128.626 122.820 0.105 0.000 2.358 38 A HA 0.366 4.734 4.320 0.081 0.000 0.223 38 A C -1.678 175.907 177.584 0.001 0.000 1.218 38 A CA -0.038 52.036 52.037 0.061 0.000 0.942 38 A CB 2.063 21.085 19.000 0.036 0.000 1.005 38 A HN 0.299 8.500 8.150 0.086 0.000 0.514 39 R N -5.290 115.233 120.500 0.038 0.000 2.733 39 R HA 0.177 4.411 4.340 -0.175 0.000 0.272 39 R C -1.995 174.444 176.300 0.232 0.000 1.029 39 R CA -1.205 54.894 56.100 -0.002 0.000 0.888 39 R CB 2.268 32.509 30.300 -0.099 0.000 1.251 39 R HN -0.814 7.512 8.270 0.093 0.000 0.464 40 G N -2.330 106.681 108.800 0.352 0.000 2.682 40 G HA2 0.564 4.901 3.960 0.275 0.000 0.300 40 G HA3 0.564 4.880 3.960 0.594 0.000 0.300 40 G C -3.106 171.947 174.900 0.255 0.000 1.391 40 G CA -0.418 44.924 45.100 0.403 0.000 0.990 40 G HN 0.348 8.768 8.290 0.217 0.000 0.501 41 R N 2.748 123.348 120.500 0.167 0.000 2.621 41 R HA 0.822 5.384 4.340 0.114 -0.153 0.284 41 R C -2.060 174.292 176.300 0.086 0.000 0.998 41 R CA -1.441 54.730 56.100 0.118 0.000 0.895 41 R CB 4.109 34.479 30.300 0.117 0.000 1.195 41 R HN 0.450 8.689 8.270 0.151 0.121 0.450 42 V N 5.963 125.913 119.914 0.060 0.000 2.383 42 V HA 0.255 4.572 4.120 0.063 -0.159 0.275 42 V C -1.384 174.718 176.094 0.013 0.000 1.036 42 V CA -1.302 61.029 62.300 0.051 0.000 0.889 42 V CB 0.654 32.522 31.823 0.076 0.000 0.985 42 V HN 0.662 8.878 8.190 0.044 0.000 0.459 43 E N 8.759 128.971 120.200 0.020 0.000 2.197 43 E HA 0.515 4.860 4.350 -0.008 0.000 0.281 43 E C -1.633 174.975 176.600 0.013 0.000 0.995 43 E CA -0.991 55.414 56.400 0.009 0.000 0.808 43 E CB 2.075 31.786 29.700 0.018 0.000 1.093 43 E HN 0.406 8.784 8.360 0.030 0.000 0.394 44 T N 1.647 116.209 114.554 0.013 0.000 2.957 44 T HA 0.187 4.556 4.350 0.031 0.000 0.336 44 T C -1.724 173.015 174.700 0.066 0.000 1.462 44 T CA -0.746 61.374 62.100 0.034 0.000 1.073 44 T CB 2.247 71.138 68.868 0.038 0.000 1.319 44 T HN -0.210 8.030 8.240 0.001 0.000 0.485 45 C N 7.513 126.850 119.300 0.062 0.000 2.616 45 C HA 0.120 4.888 4.460 0.067 -0.268 0.402 45 C C 2.162 177.218 174.990 0.109 0.000 1.436 45 C CA 0.062 59.121 59.018 0.069 0.000 1.521 45 C CB -0.777 26.988 27.740 0.042 0.000 2.413 45 C HN 0.351 8.608 8.230 0.046 0.000 0.617 46 G N 7.547 116.432 108.800 0.143 0.000 2.408 46 G HA2 -0.144 4.016 3.960 0.334 0.000 0.217 46 G HA3 -0.144 3.852 3.960 0.060 0.000 0.217 46 G C 0.038 174.931 174.900 -0.013 0.000 1.150 46 G CA 1.538 46.713 45.100 0.125 0.000 0.776 46 G HN 0.393 8.761 8.290 0.130 0.000 0.542 47 G N -1.577 107.219 108.800 -0.006 0.000 3.124 47 G HA2 0.086 4.020 3.960 -0.043 0.000 0.212 47 G HA3 0.086 4.036 3.960 -0.016 0.000 0.212 47 G C -0.480 174.419 174.900 -0.003 0.000 1.181 47 G CA -0.531 44.557 45.100 -0.020 0.000 0.803 47 G HN 0.164 8.463 8.290 0.015 0.000 0.529 48 C N -1.102 118.207 119.300 0.015 0.000 2.630 48 C HA 0.429 4.894 4.460 0.009 0.000 0.346 48 C C -0.949 174.056 174.990 0.024 0.000 1.245 48 C CA -1.159 57.870 59.018 0.018 0.000 1.804 48 C CB 2.986 30.739 27.740 0.022 0.000 2.279 48 C HN -0.586 7.445 8.230 0.029 0.216 0.498 49 Q N -0.523 119.288 119.800 0.019 0.000 2.413 49 Q HA 0.266 4.624 4.340 0.030 0.000 0.276 49 Q C -0.259 175.754 176.000 0.021 0.000 1.099 49 Q CA -0.799 55.017 55.803 0.022 0.000 0.814 49 Q CB 2.628 31.375 28.738 0.014 0.000 1.379 49 Q HN 0.129 8.408 8.270 0.015 0.000 0.436 50 L N 2.462 123.700 121.223 0.025 0.000 3.073 50 L HA 0.212 4.563 4.340 0.017 0.000 0.242 50 L C -0.057 176.823 176.870 0.017 0.000 1.317 50 L CA -1.152 53.701 54.840 0.021 0.000 1.081 50 L CB -0.780 41.296 42.059 0.029 0.000 1.456 50 L HN 0.341 8.588 8.230 0.029 0.000 0.525 51 N N 1.308 120.016 118.700 0.013 0.000 2.061 51 N HA -0.326 4.421 4.740 0.012 0.000 0.193 51 N C 1.502 177.016 175.510 0.007 0.000 1.030 51 N CA 3.182 56.238 53.050 0.010 0.000 0.856 51 N CB -0.607 37.884 38.487 0.007 0.000 1.023 51 N HN 0.207 8.513 8.380 0.013 0.082 0.424 52 R N -1.445 119.058 120.500 0.005 0.000 2.105 52 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 52 R C 0.879 177.178 176.300 -0.000 0.000 1.135 52 R CA 2.287 58.387 56.100 0.001 0.000 0.967 52 R CB -0.568 29.731 30.300 -0.001 0.000 0.861 52 R HN 0.246 8.519 8.270 0.005 0.000 0.442 53 L N -2.125 119.100 121.223 0.003 0.000 3.035 53 L HA 0.388 4.835 4.340 -0.005 -0.110 0.232 53 L C 0.205 177.080 176.870 0.010 0.000 1.341 53 L CA -1.341 53.499 54.840 0.001 0.000 1.177 53 L CB -1.566 40.494 42.059 0.001 0.000 1.555 53 L HN -0.884 7.224 8.230 0.006 0.126 0.473 54 K N 0.172 120.578 120.400 0.009 0.000 2.117 54 K HA -0.514 3.817 4.320 0.018 0.000 0.215 54 K C 1.940 178.553 176.600 0.022 0.000 1.053 54 K CA 3.523 59.819 56.287 0.015 0.000 0.935 54 K CB -0.643 31.863 32.500 0.010 0.000 0.719 54 K HN -0.541 7.626 8.250 0.005 0.086 0.460 55 E N -1.730 118.479 120.200 0.015 0.000 2.005 55 E HA -0.364 4.002 4.350 0.026 0.000 0.198 55 E C 2.196 178.821 176.600 0.041 0.000 1.010 55 E CA 2.694 59.105 56.400 0.019 0.000 0.825 55 E CB -1.214 28.483 29.700 -0.005 0.000 0.769 55 E HN 0.148 8.505 8.360 0.006 0.007 0.456 56 V N 0.143 120.072 119.914 0.026 0.000 2.236 56 V HA -0.579 3.572 4.120 0.051 0.000 0.255 56 V C 1.852 178.007 176.094 0.103 0.000 1.068 56 V CA 3.840 66.171 62.300 0.053 0.000 1.044 56 V CB -0.851 30.985 31.823 0.023 0.000 0.653 56 V HN -0.152 8.039 8.190 0.002 0.000 0.448 57 K N -1.390 119.050 120.400 0.067 0.000 2.107 57 K HA -0.469 3.889 4.320 0.063 0.000 0.211 57 K C 1.232 177.873 176.600 0.068 0.000 1.049 57 K CA 3.106 59.430 56.287 0.062 0.000 0.927 57 K CB -0.189 32.336 32.500 0.042 0.000 0.714 57 K HN -0.289 7.988 8.250 0.046 0.000 0.452 58 A N -2.679 120.186 122.820 0.076 0.000 1.841 58 A HA -0.209 4.141 4.320 0.051 0.000 0.216 58 A C 1.460 179.102 177.584 0.095 0.000 1.199 58 A CA 2.510 54.593 52.037 0.076 0.000 0.621 58 A CB -0.508 18.539 19.000 0.077 0.000 0.835 58 A HN -0.457 7.624 8.150 0.071 0.112 0.445 59 F N -0.332 119.611 119.950 -0.011 0.000 2.141 59 F HA -0.141 4.719 4.527 -0.012 -0.340 0.300 59 F C 0.468 176.256 175.800 -0.019 0.000 1.079 59 F CA 2.420 60.404 58.000 -0.027 0.000 1.264 59 F CB 0.524 39.484 39.000 -0.068 0.000 1.011 59 F HN -0.734 7.719 8.300 0.254 0.000 0.487 60 V N -4.110 115.793 119.914 -0.019 0.000 2.847 60 V HA -0.036 3.911 4.120 -0.289 0.000 0.364 60 V C -0.705 175.354 176.094 -0.057 0.000 1.374 60 V CA 0.390 62.629 62.300 -0.103 0.000 1.542 60 V CB -2.384 29.459 31.823 0.034 0.000 1.471 60 V HN -0.305 7.867 8.190 0.142 0.103 0.557 61 T N -0.205 114.305 114.554 -0.073 0.000 3.466 61 T HA 0.141 4.483 4.350 -0.013 0.000 0.281 61 T C -0.324 174.361 174.700 -0.025 0.000 0.857 61 T CA 1.093 63.179 62.100 -0.023 0.000 0.961 61 T CB 1.637 70.511 68.868 0.010 0.000 1.211 61 T HN -0.216 7.872 8.240 -0.125 0.077 0.559 62 E N 1.524 121.706 120.200 -0.030 0.000 2.176 62 E HA 0.141 4.489 4.350 -0.003 0.000 0.194 62 E C 1.371 177.964 176.600 -0.011 0.000 0.947 62 E CA 1.588 57.983 56.400 -0.009 0.000 0.960 62 E CB 0.966 30.675 29.700 0.015 0.000 1.002 62 E HN -0.251 8.086 8.360 -0.039 0.000 0.479 63 D N 0.075 120.472 120.400 -0.006 0.000 2.144 63 D HA -0.203 4.500 4.640 0.105 0.000 0.200 63 D C 1.731 178.057 176.300 0.043 0.000 0.978 63 D CA 2.443 56.493 54.000 0.083 0.000 0.833 63 D CB -0.759 40.173 40.800 0.220 0.000 0.961 63 D HN -0.198 8.166 8.370 -0.010 0.000 0.470 64 I N -0.638 119.773 120.570 -0.265 0.000 2.479 64 I HA -0.520 3.380 4.170 -0.450 0.000 0.258 64 I C 0.259 176.334 176.117 -0.071 0.000 1.165 64 I CA 2.661 63.764 61.300 -0.329 0.000 1.422 64 I CB -0.069 37.669 38.000 -0.436 0.000 1.087 64 I HN -0.472 7.526 8.210 -0.352 0.000 0.441 65 Q N -2.687 117.098 119.800 -0.024 0.000 2.339 65 Q HA -0.113 4.226 4.340 -0.001 0.000 0.205 65 Q C 1.445 177.471 176.000 0.044 0.000 0.925 65 Q CA 1.875 57.682 55.803 0.006 0.000 0.898 65 Q CB 0.650 29.386 28.738 -0.003 0.000 1.013 65 Q HN -0.699 7.495 8.270 -0.035 0.055 0.504 66 L N -0.857 120.403 121.223 0.061 0.000 2.270 66 L HA -0.118 4.241 4.340 0.033 0.000 0.210 66 L C 0.878 177.771 176.870 0.038 0.000 1.104 66 L CA 1.268 56.127 54.840 0.032 0.000 0.804 66 L CB 0.395 42.439 42.059 -0.025 0.000 0.937 66 L HN -0.437 7.705 8.230 0.065 0.127 0.450 67 Y N -1.195 119.144 120.300 0.064 0.000 2.486 67 Y HA 0.202 5.131 4.550 0.192 -0.264 0.348 67 Y C 0.251 176.263 175.900 0.188 0.000 1.000 67 Y CA 0.091 58.290 58.100 0.166 0.000 1.253 67 Y CB -0.769 37.809 38.460 0.196 0.000 1.140 67 Y HN -0.253 8.186 8.280 0.312 0.028 0.526 68 H N 7.877 127.078 119.070 0.219 0.000 2.913 68 H HA -0.261 4.339 4.556 0.072 0.000 0.365 68 H C 0.697 176.037 175.328 0.021 0.000 1.155 68 H CA 3.099 59.206 56.048 0.098 0.000 1.417 68 H CB 1.539 31.332 29.762 0.052 0.000 1.386 68 H HN -0.057 8.463 8.280 0.400 0.000 0.614 69 N N -1.569 116.867 118.700 -0.439 0.000 2.661 69 N HA -0.496 4.057 4.740 -0.311 0.000 0.249 69 N C -1.925 173.553 175.510 -0.053 0.000 1.142 69 N CA 1.436 54.330 53.050 -0.260 0.000 0.727 69 N CB -1.791 36.576 38.487 -0.200 0.000 1.099 69 N HN 0.352 8.018 8.380 -1.189 0.000 0.558 70 L N -1.000 120.277 121.223 0.090 0.000 2.401 70 L HA 0.866 5.698 4.340 0.299 -0.312 0.263 70 L C -2.006 174.919 176.870 0.092 0.000 1.004 70 L CA -0.940 54.051 54.840 0.251 0.000 0.881 70 L CB 1.592 43.941 42.059 0.483 0.000 1.219 70 L HN -0.926 7.251 8.230 0.028 0.070 0.441 71 V N -0.127 119.820 119.914 0.054 0.000 2.881 71 V HA 0.520 4.629 4.120 -0.018 0.000 0.316 71 V C -1.300 174.779 176.094 -0.025 0.000 1.070 71 V CA -3.197 59.103 62.300 0.001 0.000 0.976 71 V CB 3.258 35.084 31.823 0.005 0.000 1.038 71 V HN -0.518 7.722 8.190 0.083 0.000 0.446 72 M N 2.718 122.270 119.600 -0.081 0.000 2.342 72 M HA 0.290 4.813 4.480 -0.101 -0.104 0.332 72 M C -0.860 175.315 176.300 -0.208 0.000 1.166 72 M CA 0.201 55.415 55.300 -0.143 0.000 1.086 72 M CB 2.045 34.531 32.600 -0.191 0.000 1.541 72 M HN 0.157 8.399 8.290 -0.080 0.000 0.462 73 K N 3.053 123.310 120.400 -0.238 0.000 2.426 73 K HA 0.342 4.521 4.320 -0.236 0.000 0.251 73 K C -2.021 174.404 176.600 -0.293 0.000 0.941 73 K CA -1.724 54.427 56.287 -0.227 0.000 0.808 73 K CB 3.152 35.610 32.500 -0.069 0.000 1.265 73 K HN 0.401 8.540 8.250 -0.185 0.000 0.432 74 H N 3.238 122.315 119.070 0.011 0.000 2.683 74 H HA 0.402 5.158 4.556 0.009 -0.194 0.270 74 H C -0.418 174.914 175.328 0.007 0.000 1.201 74 H CA -0.956 55.096 56.048 0.008 0.000 1.277 74 H CB -0.070 29.695 29.762 0.004 0.000 1.400 74 H HN 0.178 8.426 8.280 -0.053 0.000 0.504 75 L N 3.946 125.231 121.223 0.104 0.000 2.421 75 L HA 0.329 4.703 4.340 0.056 0.000 0.263 75 L C -0.184 176.720 176.870 0.056 0.000 1.122 75 L CA -2.520 52.358 54.840 0.063 0.000 0.804 75 L CB -0.027 42.056 42.059 0.039 0.000 1.150 75 L HN 0.276 8.452 8.230 0.091 0.109 0.457 76 P HA -0.176 4.257 4.420 0.023 0.000 0.215 76 P C -0.517 176.797 177.300 0.024 0.000 1.163 76 P CA 1.598 64.713 63.100 0.025 0.000 0.894 76 P CB 0.233 31.943 31.700 0.017 0.000 0.791 77 G N -4.744 104.070 108.800 0.023 0.000 3.919 77 G HA2 0.055 4.029 3.960 0.023 0.000 0.284 77 G HA3 0.055 4.024 3.960 0.015 0.000 0.284 77 G C -2.391 172.520 174.900 0.018 0.000 2.841 77 G CA -0.018 45.094 45.100 0.020 0.000 0.605 77 G HN -0.344 7.959 8.290 0.023 0.000 0.337 78 A N 1.405 124.238 122.820 0.022 0.000 2.437 78 A HA 0.562 4.890 4.320 0.013 0.000 0.288 78 A C -1.659 175.935 177.584 0.017 0.000 1.201 78 A CA -1.219 50.829 52.037 0.017 0.000 0.795 78 A CB 2.797 21.808 19.000 0.018 0.000 1.359 78 A HN -0.266 7.902 8.150 0.029 0.000 0.435 79 D N -1.522 118.884 120.400 0.011 0.000 2.253 79 D HA 0.295 4.941 4.640 0.009 0.000 0.249 79 D C -1.736 174.570 176.300 0.010 0.000 1.049 79 D CA -1.541 52.464 54.000 0.007 0.000 0.929 79 D CB 0.947 41.745 40.800 -0.002 0.000 1.176 79 D HN 0.234 8.609 8.370 0.008 0.000 0.437 80 P HA 0.161 4.817 4.420 0.027 -0.220 0.263 80 P C -1.613 175.690 177.300 0.006 0.000 1.601 80 P CA -0.155 62.956 63.100 0.019 0.000 1.161 80 P CB -0.541 31.175 31.700 0.027 0.000 1.730 81 E N 2.527 122.731 120.200 0.006 0.000 2.238 81 E HA 0.454 4.869 4.350 -0.029 -0.082 0.267 81 E C -1.743 174.861 176.600 0.007 0.000 0.887 81 E CA -1.739 54.656 56.400 -0.009 0.000 0.769 81 E CB 4.173 33.865 29.700 -0.013 0.000 1.187 81 E HN 0.041 8.409 8.360 0.013 0.000 0.416 82 L N 3.524 124.741 121.223 -0.010 0.000 2.417 82 L HA -0.027 4.342 4.340 0.049 0.000 0.268 82 L C -1.889 174.991 176.870 0.017 0.000 1.158 82 L CA 0.439 55.285 54.840 0.010 0.000 0.819 82 L CB 1.581 43.616 42.059 -0.041 0.000 1.112 82 L HN 0.365 8.569 8.230 -0.043 0.000 0.458 83 V N 4.640 124.583 119.914 0.049 0.000 2.327 83 V HA 0.282 4.588 4.120 0.042 -0.160 0.272 83 V C -0.546 175.603 176.094 0.092 0.000 1.019 83 V CA -1.963 60.374 62.300 0.061 0.000 0.814 83 V CB -0.194 31.671 31.823 0.069 0.000 1.040 83 V HN 0.415 8.555 8.190 0.069 0.091 0.440 84 L N 8.016 129.289 121.223 0.083 0.000 2.536 84 L HA 0.120 4.723 4.340 0.194 -0.146 0.282 84 L C -0.420 176.518 176.870 0.113 0.000 1.174 84 L CA -0.102 54.816 54.840 0.129 0.000 0.989 84 L CB -1.873 40.252 42.059 0.110 0.000 1.311 84 L HN 0.029 8.289 8.230 0.051 0.000 0.455 85 L N 3.380 124.670 121.223 0.112 0.000 2.490 85 L HA 0.061 4.639 4.340 0.080 -0.190 0.245 85 L C 0.376 177.283 176.870 0.062 0.000 1.185 85 L CA 0.056 54.943 54.840 0.078 0.000 0.813 85 L CB 1.252 43.348 42.059 0.061 0.000 1.233 85 L HN -0.243 8.064 8.230 0.129 0.000 0.489 86 S N -1.023 114.701 115.700 0.040 0.000 2.328 86 S HA 0.314 4.959 4.470 0.045 -0.147 0.204 86 S C 0.126 174.721 174.600 -0.008 0.000 1.475 86 S CA -1.519 56.700 58.200 0.033 0.000 1.148 86 S CB -0.774 62.455 63.200 0.048 0.000 1.077 86 S HN -0.081 8.249 8.310 0.045 0.007 0.479 87 R N 3.575 124.041 120.500 -0.057 0.000 1.605 87 R HA -0.531 3.718 4.340 -0.152 0.000 0.081 87 R C 1.256 177.430 176.300 -0.210 0.000 0.952 87 R CA 3.392 59.423 56.100 -0.114 0.000 1.559 87 R CB -1.802 28.482 30.300 -0.027 0.000 0.408 87 R HN 0.383 8.629 8.270 -0.040 0.000 0.599 88 N N 1.026 119.695 118.700 -0.052 0.000 2.586 88 N HA -0.080 4.720 4.740 0.101 0.000 0.206 88 N C -1.140 174.498 175.510 0.214 0.000 1.377 88 N CA 0.249 53.343 53.050 0.073 0.000 0.871 88 N CB -1.020 37.528 38.487 0.102 0.000 1.107 88 N HN 0.133 8.481 8.380 -0.008 0.027 0.462 89 Y N -7.437 112.886 120.300 0.039 0.000 4.272 89 Y HA -0.434 4.142 4.550 0.043 0.000 0.232 89 Y C -0.900 175.022 175.900 0.038 0.000 1.149 89 Y CA 0.796 58.919 58.100 0.037 0.000 1.961 89 Y CB -3.278 35.199 38.460 0.028 0.000 1.611 89 Y HN -0.218 7.720 8.280 -0.304 0.160 0.682 90 Q N -1.323 118.552 119.800 0.124 0.000 2.837 90 Q HA 0.005 4.407 4.340 0.104 0.000 0.235 90 Q C -0.159 175.890 176.000 0.082 0.000 1.348 90 Q CA -0.739 55.121 55.803 0.096 0.000 0.990 90 Q CB -1.488 27.293 28.738 0.071 0.000 1.570 90 Q HN -0.402 7.883 8.270 0.077 0.031 0.575 91 E N 1.320 121.575 120.200 0.092 0.000 3.102 91 E HA -0.340 4.060 4.350 0.082 0.000 0.235 91 E C -1.000 175.636 176.600 0.060 0.000 0.995 91 E CA 0.985 57.431 56.400 0.077 0.000 0.950 91 E CB -1.063 28.679 29.700 0.070 0.000 0.905 91 E HN -0.160 8.215 8.360 0.112 0.052 0.553 92 L N 4.400 125.659 121.223 0.060 0.000 2.253 92 L HA 0.082 4.450 4.340 0.047 0.000 0.205 92 L C 0.555 177.447 176.870 0.037 0.000 1.078 92 L CA 0.923 55.793 54.840 0.051 0.000 0.805 92 L CB 0.977 43.073 42.059 0.062 0.000 0.963 92 L HN 0.186 8.457 8.230 0.068 0.000 0.459 93 E N -3.595 116.626 120.200 0.035 0.000 2.390 93 E HA 0.155 4.512 4.350 0.012 0.000 0.280 93 E C -2.503 174.105 176.600 0.012 0.000 0.992 93 E CA -0.673 55.736 56.400 0.015 0.000 0.790 93 E CB 3.286 32.985 29.700 -0.002 0.000 1.248 93 E HN -0.657 7.731 8.360 0.047 0.000 0.447 94 R N 2.472 122.971 120.500 -0.001 0.000 2.532 94 R HA 0.804 5.364 4.340 -0.003 -0.222 0.297 94 R C -0.705 175.579 176.300 -0.027 0.000 0.984 94 R CA -1.326 54.771 56.100 -0.006 0.000 0.884 94 R CB 2.149 32.451 30.300 0.003 0.000 1.182 94 R HN 0.316 8.583 8.270 -0.004 0.000 0.442 95 I N 3.976 124.520 120.570 -0.044 0.000 2.545 95 I HA 0.468 4.602 4.170 -0.061 0.000 0.292 95 I C -2.719 173.351 176.117 -0.078 0.000 1.040 95 I CA -3.338 57.921 61.300 -0.068 0.000 1.068 95 I CB 3.888 41.833 38.000 -0.092 0.000 1.251 95 I HN 0.033 8.219 8.210 -0.041 0.000 0.424 96 P HA 0.050 4.434 4.420 -0.060 0.000 0.271 96 P C -0.999 176.233 177.300 -0.113 0.000 1.218 96 P CA -0.195 62.858 63.100 -0.079 0.000 0.780 96 P CB 0.378 32.035 31.700 -0.071 0.000 0.901 97 L N -0.806 120.355 121.223 -0.103 0.000 2.749 97 L HA 0.273 4.502 4.340 -0.185 0.000 0.242 97 L C 0.527 177.334 176.870 -0.105 0.000 1.103 97 L CA -0.119 54.636 54.840 -0.141 0.000 0.906 97 L CB 0.372 42.338 42.059 -0.154 0.000 1.228 97 L HN -0.157 8.030 8.230 -0.072 0.000 0.517 98 S N -0.719 114.940 115.700 -0.068 0.000 2.442 98 S HA -0.378 4.068 4.470 -0.039 0.000 0.236 98 S C 1.108 175.672 174.600 -0.060 0.000 1.007 98 S CA 2.279 60.449 58.200 -0.049 0.000 0.965 98 S CB 0.260 63.440 63.200 -0.033 0.000 0.773 98 S HN -0.332 7.941 8.310 -0.061 0.000 0.504 99 Q N -2.104 117.649 119.800 -0.078 0.000 2.123 99 Q HA -0.134 4.167 4.340 -0.065 0.000 0.196 99 Q C 0.033 175.975 176.000 -0.096 0.000 0.958 99 Q CA 1.405 57.159 55.803 -0.082 0.000 0.841 99 Q CB 0.371 29.055 28.738 -0.090 0.000 0.915 99 Q HN -0.026 8.150 8.270 -0.088 0.042 0.455 100 M N -1.513 118.012 119.600 -0.124 0.000 2.159 100 M HA 0.148 4.553 4.480 -0.124 0.000 0.293 100 M C -0.268 175.961 176.300 -0.117 0.000 1.186 100 M CA -0.749 54.469 55.300 -0.137 0.000 1.073 100 M CB 0.200 32.688 32.600 -0.187 0.000 1.419 100 M HN -0.645 7.564 8.290 -0.135 0.000 0.490 101 T N -2.963 111.525 114.554 -0.110 0.000 2.945 101 T HA 0.264 4.573 4.350 -0.068 0.000 0.286 101 T C 1.149 175.788 174.700 -0.101 0.000 1.025 101 T CA -2.360 59.690 62.100 -0.083 0.000 1.039 101 T CB 2.294 71.129 68.868 -0.055 0.000 1.068 101 T HN -0.240 7.930 8.240 -0.116 0.000 0.497 102 R N 6.104 126.569 120.500 -0.058 0.000 2.134 102 R HA -0.426 3.867 4.340 -0.078 0.000 0.248 102 R C 1.093 177.364 176.300 -0.049 0.000 1.143 102 R CA 4.504 60.583 56.100 -0.034 0.000 0.957 102 R CB -0.097 30.235 30.300 0.053 0.000 0.867 102 R HN 0.636 8.887 8.270 -0.031 0.000 0.441 103 D N -2.792 117.592 120.400 -0.027 0.000 2.123 103 D HA -0.270 4.375 4.640 0.008 0.000 0.196 103 D C 2.443 178.712 176.300 -0.051 0.000 0.992 103 D CA 3.544 57.533 54.000 -0.019 0.000 0.833 103 D CB -0.203 40.590 40.800 -0.011 0.000 0.954 103 D HN -0.146 8.212 8.370 -0.020 0.001 0.455 104 E N -1.144 119.004 120.200 -0.088 0.000 2.076 104 E HA -0.180 4.124 4.350 -0.076 0.000 0.190 104 E C 2.647 179.138 176.600 -0.181 0.000 0.979 104 E CA 2.259 58.592 56.400 -0.112 0.000 0.807 104 E CB -0.068 29.560 29.700 -0.121 0.000 0.761 104 E HN -0.456 7.746 8.360 -0.087 0.106 0.454 105 I N -0.528 119.875 120.570 -0.278 0.000 2.361 105 I HA -0.571 3.336 4.170 -0.438 0.000 0.251 105 I C 1.650 177.459 176.117 -0.514 0.000 1.133 105 I CA 4.383 65.385 61.300 -0.498 0.000 1.413 105 I CB -0.629 36.896 38.000 -0.792 0.000 1.073 105 I HN 0.540 8.493 8.210 -0.244 0.111 0.424 106 N N -0.593 117.937 118.700 -0.282 0.000 2.216 106 N HA -0.327 4.324 4.740 -0.149 0.000 0.183 106 N C 1.708 177.192 175.510 -0.042 0.000 1.017 106 N CA 3.113 56.103 53.050 -0.100 0.000 0.861 106 N CB 0.077 38.613 38.487 0.082 0.000 0.986 106 N HN -0.061 8.170 8.380 -0.205 0.026 0.428 107 A N 1.135 123.927 122.820 -0.046 0.000 1.883 107 A HA -0.324 4.020 4.320 0.039 0.000 0.217 107 A C 1.563 179.148 177.584 0.002 0.000 1.186 107 A CA 3.111 55.149 52.037 0.001 0.000 0.624 107 A CB -0.505 18.494 19.000 -0.001 0.000 0.822 107 A HN -0.713 7.299 8.150 -0.075 0.093 0.444 108 L N -1.642 119.543 121.223 -0.064 0.000 1.989 108 L HA -0.362 3.992 4.340 0.024 0.000 0.211 108 L C 1.660 178.486 176.870 -0.074 0.000 1.071 108 L CA 3.050 57.856 54.840 -0.058 0.000 0.749 108 L CB -0.150 41.826 42.059 -0.140 0.000 0.890 108 L HN -0.560 7.601 8.230 -0.115 0.000 0.431 109 V N -2.860 116.941 119.914 -0.188 0.000 2.324 109 V HA -0.691 3.140 4.120 -0.482 0.000 0.250 109 V C 2.216 178.340 176.094 0.050 0.000 1.060 109 V CA 4.013 66.153 62.300 -0.265 0.000 1.042 109 V CB -0.815 30.751 31.823 -0.429 0.000 0.650 109 V HN -0.811 7.231 8.190 -0.246 0.000 0.450 110 Q N -1.479 118.406 119.800 0.141 0.000 2.119 110 Q HA -0.318 4.186 4.340 0.275 0.000 0.201 110 Q C 2.444 178.561 176.000 0.195 0.000 0.972 110 Q CA 2.525 58.452 55.803 0.206 0.000 0.847 110 Q CB -0.096 28.737 28.738 0.159 0.000 0.903 110 Q HN -0.313 7.999 8.270 0.082 0.008 0.433 111 E N -0.286 120.016 120.200 0.171 0.000 2.118 111 E HA -0.278 4.190 4.350 0.196 0.000 0.195 111 E C 1.910 178.714 176.600 0.340 0.000 0.992 111 E CA 2.383 58.919 56.400 0.227 0.000 0.804 111 E CB -0.304 29.526 29.700 0.218 0.000 0.741 111 E HN -0.350 7.994 8.360 0.124 0.091 0.458 112 L N -4.515 116.928 121.223 0.367 0.000 1.988 112 L HA -0.225 4.596 4.340 0.802 0.000 0.207 112 L C 0.972 178.082 176.870 0.400 0.000 1.071 112 L CA 1.544 56.687 54.840 0.506 0.000 0.744 112 L CB 0.440 42.757 42.059 0.430 0.000 0.893 112 L HN -0.476 7.891 8.230 0.247 0.011 0.433 113 G N -7.295 101.769 108.800 0.441 0.000 2.870 113 G HA2 -0.148 4.019 3.960 0.346 0.000 0.216 113 G HA3 -0.148 4.029 3.960 0.363 0.000 0.216 113 G C 0.012 175.204 174.900 0.486 0.000 0.973 113 G CA -0.757 44.589 45.100 0.410 0.000 0.807 113 G HN -0.732 7.832 8.290 0.457 0.000 0.573 114 F N 1.987 122.098 119.950 0.269 0.000 2.626 114 F HA -0.129 4.588 4.527 0.317 0.000 0.354 114 F C -0.260 175.673 175.800 0.222 0.000 1.168 114 F CA 1.463 59.655 58.000 0.319 0.000 1.368 114 F CB 0.282 39.542 39.000 0.434 0.000 1.092 114 F HN -0.858 7.985 8.300 0.905 0.000 0.612 115 Y N 4.180 124.576 120.300 0.160 0.000 2.352 115 Y HA 0.132 4.513 4.550 -0.282 0.000 0.326 115 Y C -2.148 173.610 175.900 -0.237 0.000 1.166 115 Y CA -0.210 57.817 58.100 -0.121 0.000 1.182 115 Y CB 3.448 41.825 38.460 -0.139 0.000 1.216 115 Y HN 0.239 8.747 8.280 0.381 0.000 0.474 116 R N 5.941 125.819 120.500 -1.036 0.000 2.532 116 R HA 0.322 4.385 4.340 -0.739 -0.166 0.297 116 R C -1.571 174.286 176.300 -0.737 0.000 0.984 116 R CA -1.724 53.831 56.100 -0.909 0.000 0.884 116 R CB 2.324 31.998 30.300 -1.043 0.000 1.182 116 R HN 0.268 7.575 8.270 -1.605 0.000 0.442 117 K N 6.215 126.455 120.400 -0.267 0.000 2.354 117 K HA 0.307 4.564 4.320 -0.105 0.000 0.238 117 K C -0.990 175.564 176.600 -0.076 0.000 1.068 117 K CA -1.925 54.325 56.287 -0.060 0.000 0.925 117 K CB 1.653 34.248 32.500 0.160 0.000 1.286 117 K HN -0.084 8.048 8.250 -0.197 0.000 0.500 118 S N -1.450 114.236 115.700 -0.023 0.000 2.486 118 S HA -0.047 4.400 4.470 -0.039 0.000 0.220 118 S C -0.921 173.676 174.600 -0.003 0.000 1.011 118 S CA 0.982 59.170 58.200 -0.021 0.000 0.921 118 S CB 0.185 63.378 63.200 -0.012 0.000 0.785 118 S HN 0.449 8.766 8.310 0.011 0.000 0.517 119 A N -0.258 122.569 122.820 0.012 0.000 2.587 119 A HA 0.470 4.797 4.320 0.011 0.000 0.293 119 A C -2.139 175.462 177.584 0.027 0.000 1.087 119 A CA -1.481 50.565 52.037 0.016 0.000 0.692 119 A CB 0.923 19.932 19.000 0.014 0.000 1.291 119 A HN -0.735 7.429 8.150 0.023 0.000 0.407 120 P HA -0.057 4.384 4.420 0.035 0.000 0.219 120 P C 0.216 177.531 177.300 0.025 0.000 1.150 120 P CA 1.404 64.519 63.100 0.025 0.000 0.814 120 P CB 0.572 32.281 31.700 0.015 0.000 0.787 121 E N -2.505 117.706 120.200 0.018 0.000 2.502 121 E HA -0.076 4.281 4.350 0.011 0.000 0.194 121 E C -0.580 176.030 176.600 0.015 0.000 1.062 121 E CA -0.638 55.770 56.400 0.013 0.000 0.867 121 E CB -0.589 29.116 29.700 0.008 0.000 0.888 121 E HN 0.479 8.828 8.360 0.016 0.021 0.510 122 A N -0.137 122.699 122.820 0.027 0.000 2.346 122 A HA -0.013 4.319 4.320 0.021 0.000 0.252 122 A C -1.338 176.259 177.584 0.021 0.000 1.089 122 A CA -0.198 51.858 52.037 0.031 0.000 0.797 122 A CB 1.081 20.113 19.000 0.053 0.000 1.047 122 A HN -0.635 7.330 8.150 0.032 0.205 0.494 123 Q N -1.370 118.431 119.800 0.002 0.000 2.239 123 Q HA 0.093 4.399 4.340 -0.056 0.000 0.193 123 Q C -1.957 173.969 176.000 -0.124 0.000 1.004 123 Q CA -0.595 55.178 55.803 -0.051 0.000 1.040 123 Q CB 1.568 30.275 28.738 -0.052 0.000 1.149 123 Q HN 0.072 8.350 8.270 0.013 0.000 0.535 124 V N -0.741 119.026 119.914 -0.246 0.000 2.623 124 V HA 0.297 4.047 4.120 -0.616 0.000 0.304 124 V C -1.743 174.166 176.094 -0.307 0.000 1.054 124 V CA -3.176 58.821 62.300 -0.505 0.000 0.882 124 V CB 0.736 32.080 31.823 -0.798 0.000 1.002 124 V HN 0.211 8.281 8.190 -0.199 0.000 0.424 125 P HA 0.255 4.649 4.420 -0.043 0.000 0.269 125 P C -1.221 176.043 177.300 -0.059 0.000 1.217 125 P CA -1.403 61.666 63.100 -0.052 0.000 0.783 125 P CB -0.486 31.256 31.700 0.069 0.000 0.898 126 P HA -0.231 4.194 4.420 0.009 0.000 0.218 126 P C 1.714 179.013 177.300 -0.001 0.000 1.148 126 P CA 2.166 65.268 63.100 0.003 0.000 0.822 126 P CB 0.054 31.763 31.700 0.016 0.000 0.784 127 E N -1.773 118.403 120.200 -0.039 0.000 2.070 127 E HA -0.252 3.989 4.350 -0.182 0.000 0.197 127 E C 0.866 177.268 176.600 -0.330 0.000 1.004 127 E CA 2.570 58.856 56.400 -0.189 0.000 0.805 127 E CB -0.429 29.155 29.700 -0.193 0.000 0.744 127 E HN 0.623 8.951 8.360 -0.005 0.029 0.451 128 Y N -4.015 116.281 120.300 -0.008 0.000 2.720 128 Y HA 0.079 4.650 4.550 0.035 0.000 0.277 128 Y C -0.160 175.626 175.900 -0.190 0.000 1.144 128 Y CA -0.650 57.430 58.100 -0.034 0.000 1.221 128 Y CB -0.531 37.971 38.460 0.069 0.000 1.163 128 Y HN -0.733 7.616 8.280 0.115 0.000 0.537 129 L N -1.107 120.092 121.223 -0.040 0.000 2.012 129 L HA -0.302 3.828 4.340 -0.350 0.000 0.210 129 L C 1.167 177.856 176.870 -0.302 0.000 1.073 129 L CA 2.333 57.050 54.840 -0.206 0.000 0.748 129 L CB 0.302 42.297 42.059 -0.106 0.000 0.891 129 L HN -0.659 7.378 8.230 0.018 0.204 0.431 130 W N -5.425 115.795 121.300 -0.133 0.000 3.220 130 W HA -0.021 4.582 4.660 -0.096 0.000 0.328 130 W C -0.654 175.824 176.519 -0.069 0.000 1.205 130 W CA -1.162 56.126 57.345 -0.095 0.000 1.773 130 W CB -0.855 28.564 29.460 -0.067 0.000 1.086 130 W HN -0.277 8.166 8.180 0.439 0.000 0.622 131 A N 0.757 123.666 122.820 0.148 0.000 2.586 131 A HA -0.133 4.461 4.320 0.163 -0.176 0.231 131 A C -0.851 176.767 177.584 0.057 0.000 1.055 131 A CA 0.161 52.291 52.037 0.155 0.000 0.756 131 A CB -0.110 19.087 19.000 0.328 0.000 0.988 131 A HN -0.165 7.888 8.150 0.133 0.178 0.509 132 P HA -0.052 4.490 4.420 0.203 0.000 0.253 132 P C -0.977 176.391 177.300 0.113 0.000 1.260 132 P CA 0.232 63.403 63.100 0.118 0.000 0.800 132 P CB 0.467 32.257 31.700 0.151 0.000 1.162 133 A N 0.106 122.987 122.820 0.102 0.000 2.287 133 A HA -0.010 4.354 4.320 0.073 0.000 0.273 133 A C -0.658 176.968 177.584 0.070 0.000 1.091 133 A CA -0.844 51.250 52.037 0.094 0.000 0.817 133 A CB 1.251 20.323 19.000 0.120 0.000 1.069 133 A HN -0.410 7.623 8.150 0.101 0.178 0.492 134 K N -0.362 120.036 120.400 -0.004 0.000 2.118 134 K HA 0.293 4.568 4.320 -0.076 0.000 0.267 134 K C -1.370 175.092 176.600 -0.230 0.000 0.991 134 K CA -2.837 53.396 56.287 -0.090 0.000 0.916 134 K CB -0.809 31.633 32.500 -0.096 0.000 1.041 134 K HN 0.007 8.256 8.250 -0.002 0.000 0.455 135 P HA 0.159 3.757 4.420 -1.369 0.000 0.269 135 P C -2.148 174.804 177.300 -0.579 0.000 1.215 135 P CA -1.170 61.482 63.100 -0.746 0.000 0.780 135 P CB -0.673 30.697 31.700 -0.551 0.000 0.898 136 P HA -0.036 4.187 4.420 -0.329 0.000 0.267 136 P C 0.342 177.477 177.300 -0.274 0.000 1.200 136 P CA -0.342 62.506 63.100 -0.420 0.000 0.772 136 P CB 0.852 32.303 31.700 -0.415 0.000 0.855 137 E N 1.205 121.293 120.200 -0.187 0.000 2.023 137 E HA -0.328 3.935 4.350 -0.145 0.000 0.196 137 E C 1.200 177.725 176.600 -0.125 0.000 1.003 137 E CA 2.490 58.805 56.400 -0.141 0.000 0.809 137 E CB -0.160 29.476 29.700 -0.106 0.000 0.755 137 E HN 0.276 8.534 8.360 -0.170 0.000 0.449 138 E N 0.227 120.363 120.200 -0.107 0.000 1.800 138 E HA -0.232 4.074 4.350 -0.072 0.000 0.262 138 E C -0.941 175.609 176.600 -0.082 0.000 1.219 138 E CA 0.608 56.960 56.400 -0.080 0.000 1.051 138 E CB -1.541 28.124 29.700 -0.059 0.000 1.074 138 E HN 0.183 8.480 8.360 -0.105 0.000 0.433 139 A N 2.317 125.087 122.820 -0.083 0.000 1.586 139 A HA 0.016 4.310 4.320 -0.044 0.000 0.194 139 A C -0.377 177.180 177.584 -0.045 0.000 1.991 139 A CA 0.975 52.970 52.037 -0.070 0.000 1.590 139 A CB 0.732 19.659 19.000 -0.122 0.000 1.564 139 A HN 0.332 8.407 8.150 -0.084 0.025 0.295 140 S N -1.090 114.571 115.700 -0.064 0.000 2.554 140 S HA 0.114 4.588 4.470 0.007 0.000 0.226 140 S C -0.745 173.826 174.600 -0.048 0.000 0.980 140 S CA 0.015 58.193 58.200 -0.036 0.000 0.939 140 S CB 0.837 63.995 63.200 -0.070 0.000 0.832 140 S HN -0.238 8.015 8.310 -0.095 0.000 0.486 141 E N 2.297 122.455 120.200 -0.070 0.000 2.175 141 E HA 0.088 4.288 4.350 -0.249 0.000 0.278 141 E C -1.613 174.946 176.600 -0.070 0.000 0.969 141 E CA -0.280 56.036 56.400 -0.140 0.000 0.796 141 E CB 1.326 30.953 29.700 -0.122 0.000 1.104 141 E HN -0.283 7.976 8.360 -0.058 0.066 0.395 142 H N 2.822 121.850 119.070 -0.070 0.000 2.954 142 H HA 0.278 4.794 4.556 -0.066 0.000 0.361 142 H C -1.767 173.512 175.328 -0.083 0.000 1.122 142 H CA -0.370 55.636 56.048 -0.071 0.000 1.217 142 H CB 1.571 31.294 29.762 -0.066 0.000 1.776 142 H HN 0.108 8.017 8.280 -0.619 0.000 0.533 143 D N 1.541 121.970 120.400 0.047 0.000 2.204 143 D HA -0.047 4.579 4.640 -0.024 0.000 0.337 143 D C -0.678 175.622 176.300 -0.001 0.000 1.054 143 D CA 0.433 54.425 54.000 -0.013 0.000 0.869 143 D CB 1.388 42.151 40.800 -0.062 0.000 1.548 143 D HN 0.482 8.885 8.370 0.055 0.000 0.530 144 D N 0.940 121.337 120.400 -0.004 0.000 2.894 144 D HA -0.011 4.606 4.640 -0.039 0.000 0.248 144 D C -1.369 174.891 176.300 -0.066 0.000 1.291 144 D CA -0.099 53.871 54.000 -0.050 0.000 0.840 144 D CB -0.567 40.183 40.800 -0.084 0.000 1.044 144 D HN -0.315 8.060 8.370 0.007 0.000 0.484 145 L N 1.486 122.704 121.223 -0.008 0.000 2.454 145 L HA -0.057 4.244 4.340 -0.065 0.000 0.284 145 L C -0.436 176.436 176.870 0.004 0.000 1.139 145 L CA -0.165 54.658 54.840 -0.029 0.000 0.911 145 L CB -0.535 41.496 42.059 -0.047 0.000 1.262 145 L HN -0.492 7.670 8.230 0.032 0.087 0.453 146 E N 5.806 125.983 120.200 -0.037 0.000 2.586 146 E HA -0.486 3.899 4.350 0.059 0.000 0.259 146 E C -1.283 175.434 176.600 0.195 0.000 1.107 146 E CA 0.709 57.147 56.400 0.063 0.000 0.754 146 E CB -1.356 28.393 29.700 0.082 0.000 1.335 146 E HN 0.563 8.871 8.360 -0.087 0.000 0.411 147 H N -5.275 113.844 119.070 0.083 0.000 3.906 147 H HA -0.386 4.217 4.556 0.078 0.000 0.179 147 H C -0.814 174.613 175.328 0.165 0.000 0.941 147 H CA 1.796 57.900 56.048 0.094 0.000 1.232 147 H CB -0.740 29.059 29.762 0.061 0.000 1.037 147 H HN -0.129 7.993 8.280 -0.232 0.020 0.362 148 H N -1.258 117.890 119.070 0.131 0.000 2.727 148 H HA -0.425 4.162 4.556 0.051 0.000 0.312 148 H C -1.667 173.728 175.328 0.112 0.000 0.958 148 H CA 1.510 57.607 56.048 0.081 0.000 1.016 148 H CB -1.245 28.545 29.762 0.047 0.000 1.616 148 H HN -0.263 7.925 8.280 0.230 0.230 0.345 149 H N 4.113 123.039 119.070 -0.239 0.000 2.460 149 H HA 0.121 4.409 4.556 -0.446 0.000 0.140 149 H C -1.420 173.571 175.328 -0.561 0.000 1.101 149 H CA 0.367 56.207 56.048 -0.346 0.000 1.101 149 H CB 2.070 31.770 29.762 -0.103 0.000 0.893 149 H HN 0.323 8.600 8.280 -0.005 0.000 0.286 150 H N -1.598 117.444 119.070 -0.047 0.000 2.974 150 H HA 0.227 4.708 4.556 -0.124 0.000 0.366 150 H C -1.572 173.819 175.328 0.104 0.000 1.155 150 H CA 0.029 56.034 56.048 -0.072 0.000 1.186 150 H CB 2.581 32.253 29.762 -0.149 0.000 1.799 150 H HN 0.008 8.412 8.280 0.207 0.000 0.541 151 H N 1.982 121.118 119.070 0.110 0.000 2.856 151 H HA 0.356 4.959 4.556 0.078 0.000 0.355 151 H C -0.712 174.624 175.328 0.014 0.000 1.079 151 H CA -0.324 55.742 56.048 0.031 0.000 1.240 151 H CB 1.258 30.989 29.762 -0.052 0.000 1.701 151 H HN 0.358 8.781 8.280 0.239 0.000 0.527 152 H N 0.000 118.822 119.070 -0.414 0.000 2.539 152 H HA 0.000 4.486 4.556 -0.117 0.000 0.296 152 H CA 0.000 55.896 56.048 -0.253 0.000 1.023 152 H CB 0.000 29.628 29.762 -0.223 0.000 1.292 152 H HN 0.000 7.930 8.280 -0.584 0.000 0.496