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 2rop_1_A DATA FIRST_RESID 20 DATA SEQUENCE VTLQLRIDGM HCKSCVLNIE ENIGQLLGVQ SIQVSLENKT AQVKYDPSCT DATA SEQUENCE SPVALQRAIE ALPPGNFKVS LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE TCSTTLIAIA GMTCASCVHS IEGMISQLEG VQQISVSLAE GTATVLYNPA DATA SEQUENCE VISPEELRAA IEDMGFEASV V 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 20 V HA 0.000 3.996 4.120 -0.207 0.000 0.244 20 V C 0.000 175.902 176.094 -0.320 0.000 1.182 20 V CA 0.000 62.080 62.300 -0.366 0.000 1.235 20 V CB 0.000 31.560 31.823 -0.438 0.000 1.184 21 T N 4.697 119.178 114.554 -0.121 0.000 2.824 21 T HA 0.940 5.541 4.350 0.062 -0.214 0.280 21 T C -0.516 174.254 174.700 0.117 0.000 0.995 21 T CA -0.919 61.193 62.100 0.021 0.000 1.009 21 T CB 0.806 69.679 68.868 0.009 0.000 0.955 21 T HN -0.059 8.115 8.240 -0.110 0.000 0.452 22 L N 3.222 124.563 121.223 0.196 0.000 2.327 22 L HA 0.611 5.023 4.340 0.120 0.000 0.258 22 L C -2.468 174.455 176.870 0.088 0.000 1.024 22 L CA -1.728 53.208 54.840 0.161 0.000 0.825 22 L CB 3.073 45.263 42.059 0.218 0.000 1.386 22 L HN 0.334 8.684 8.230 0.199 0.000 0.417 23 Q N 0.622 120.456 119.800 0.058 0.000 2.340 23 Q HA 0.869 5.391 4.340 0.032 -0.163 0.268 23 Q C -1.014 174.999 176.000 0.022 0.000 1.031 23 Q CA -0.896 54.927 55.803 0.034 0.000 0.804 23 Q CB 2.038 30.794 28.738 0.029 0.000 1.286 23 Q HN 0.142 8.449 8.270 0.062 0.000 0.448 24 L N -0.935 120.297 121.223 0.015 0.000 2.479 24 L HA 0.645 4.990 4.340 0.009 0.000 0.255 24 L C -1.970 174.905 176.870 0.009 0.000 1.026 24 L CA -0.844 54.001 54.840 0.008 0.000 0.842 24 L CB 3.335 45.394 42.059 0.001 0.000 1.444 24 L HN 0.353 8.592 8.230 0.015 0.000 0.409 25 R N -2.078 118.428 120.500 0.010 0.000 2.643 25 R HA 0.460 4.807 4.340 0.011 0.000 0.272 25 R C -1.010 175.300 176.300 0.017 0.000 0.995 25 R CA -2.247 53.861 56.100 0.012 0.000 1.032 25 R CB 2.700 33.008 30.300 0.013 0.000 1.126 25 R HN 0.272 8.547 8.270 0.009 0.000 0.505 26 I N -0.423 120.159 120.570 0.021 0.000 2.686 26 I HA 0.451 4.833 4.170 0.044 -0.186 0.295 26 I C -1.614 174.533 176.117 0.050 0.000 1.114 26 I CA -1.192 60.129 61.300 0.035 0.000 1.038 26 I CB 3.587 41.597 38.000 0.016 0.000 1.238 26 I HN 0.550 8.771 8.210 0.019 0.000 0.420 27 D N 4.812 125.258 120.400 0.077 0.000 2.232 27 D HA 0.238 4.917 4.640 0.066 0.000 0.242 27 D C -0.009 176.391 176.300 0.167 0.000 1.093 27 D CA -0.799 53.255 54.000 0.089 0.000 0.845 27 D CB 2.221 43.060 40.800 0.066 0.000 1.124 27 D HN 0.484 8.797 8.370 0.088 0.110 0.467 28 G N 3.293 112.190 108.800 0.161 0.000 2.232 28 G HA2 -0.382 3.710 3.960 0.220 0.000 0.226 28 G HA3 -0.382 3.829 3.960 0.418 0.000 0.226 28 G C 0.618 175.587 174.900 0.115 0.000 0.996 28 G CA 1.465 46.705 45.100 0.234 0.000 0.626 28 G HN 0.461 8.819 8.290 0.114 0.000 0.509 29 M N 0.100 119.720 119.600 0.034 0.000 2.539 29 M HA -0.222 4.185 4.480 -0.122 0.000 0.261 29 M C 0.811 177.130 176.300 0.032 0.000 1.069 29 M CA 1.683 56.963 55.300 -0.034 0.000 1.081 29 M CB -1.211 31.357 32.600 -0.053 0.000 1.412 29 M HN -0.160 8.090 8.290 0.057 0.074 0.482 30 H N 0.862 119.924 119.070 -0.013 0.000 2.394 30 H HA -0.256 4.296 4.556 -0.007 0.000 0.297 30 H C 0.889 176.214 175.328 -0.005 0.000 1.113 30 H CA 3.191 59.237 56.048 -0.003 0.000 1.277 30 H CB -0.362 29.407 29.762 0.013 0.000 1.370 30 H HN 0.028 8.399 8.280 0.203 0.031 0.506 31 C N -2.648 116.654 119.300 0.003 0.000 2.539 31 C HA -0.117 4.245 4.460 -0.162 0.000 0.271 31 C C -0.125 174.817 174.990 -0.081 0.000 1.412 31 C CA 1.162 60.144 59.018 -0.060 0.000 1.729 31 C CB 1.085 28.860 27.740 0.059 0.000 1.739 31 C HN -0.223 7.969 8.230 0.133 0.117 0.570 32 K N -0.485 119.862 120.400 -0.088 0.000 9.188 32 K HA -0.504 3.849 4.320 -0.086 -0.084 0.503 32 K C 1.015 177.552 176.600 -0.105 0.000 0.367 32 K CA 3.176 59.410 56.287 -0.090 0.000 1.958 32 K CB -1.950 30.501 32.500 -0.081 0.000 0.698 32 K HN 0.343 8.328 8.250 -0.075 0.219 1.029 33 S N 1.125 116.772 115.700 -0.088 0.000 2.420 33 S HA -0.259 4.165 4.470 -0.077 0.000 0.237 33 S C 2.031 176.531 174.600 -0.167 0.000 1.023 33 S CA 3.402 61.550 58.200 -0.087 0.000 0.991 33 S CB -0.464 62.714 63.200 -0.038 0.000 0.792 33 S HN 0.183 8.383 8.310 -0.068 0.070 0.488 34 C N 2.377 121.503 119.300 -0.290 0.000 2.396 34 C HA -0.337 3.500 4.460 -1.038 0.000 0.277 34 C C 1.386 175.999 174.990 -0.628 0.000 1.231 34 C CA 2.596 61.152 59.018 -0.770 0.000 1.775 34 C CB -0.864 26.388 27.740 -0.812 0.000 2.036 34 C HN 0.316 8.410 8.230 -0.197 0.018 0.484 35 V N 0.184 119.899 119.914 -0.332 0.000 2.970 35 V HA -0.238 3.738 4.120 -0.240 0.000 0.260 35 V C 1.070 177.077 176.094 -0.145 0.000 1.100 35 V CA 2.583 64.756 62.300 -0.213 0.000 1.122 35 V CB -0.299 31.444 31.823 -0.134 0.000 0.721 35 V HN -0.102 7.802 8.190 -0.260 0.130 0.483 36 L N 0.789 121.934 121.223 -0.130 0.000 2.005 36 L HA -0.303 4.003 4.340 -0.057 0.000 0.207 36 L C 1.204 178.046 176.870 -0.046 0.000 1.072 36 L CA 3.674 58.472 54.840 -0.070 0.000 0.744 36 L CB -0.904 41.122 42.059 -0.054 0.000 0.895 36 L HN 0.122 8.093 8.230 -0.160 0.164 0.433 37 N N -1.714 116.961 118.700 -0.041 0.000 2.309 37 N HA -0.274 4.475 4.740 0.015 0.000 0.182 37 N C 2.300 177.816 175.510 0.011 0.000 1.018 37 N CA 2.928 55.984 53.050 0.009 0.000 0.876 37 N CB -0.367 38.161 38.487 0.068 0.000 0.972 37 N HN -0.508 7.831 8.380 -0.069 0.000 0.434 38 I N 1.476 122.030 120.570 -0.026 0.000 2.133 38 I HA -0.519 3.663 4.170 0.020 0.000 0.238 38 I C 1.428 177.538 176.117 -0.012 0.000 1.074 38 I CA 3.998 65.290 61.300 -0.013 0.000 1.342 38 I CB -0.144 37.828 38.000 -0.046 0.000 1.053 38 I HN -0.969 7.189 8.210 -0.086 0.000 0.404 39 E N 0.265 120.449 120.200 -0.026 0.000 2.130 39 E HA -0.472 3.871 4.350 -0.012 0.000 0.196 39 E C 1.250 177.847 176.600 -0.006 0.000 0.998 39 E CA 3.229 59.619 56.400 -0.017 0.000 0.806 39 E CB -0.184 29.501 29.700 -0.025 0.000 0.738 39 E HN -0.113 8.218 8.360 -0.047 0.000 0.459 40 E N -3.126 117.072 120.200 -0.004 0.000 2.077 40 E HA -0.222 4.129 4.350 0.002 0.000 0.193 40 E C 1.919 178.524 176.600 0.008 0.000 0.989 40 E CA 2.338 58.740 56.400 0.003 0.000 0.800 40 E CB 0.071 29.775 29.700 0.006 0.000 0.746 40 E HN -0.391 7.954 8.360 -0.008 0.010 0.452 41 N N -3.586 115.121 118.700 0.012 0.000 2.409 41 N HA -0.021 4.728 4.740 0.015 0.000 0.174 41 N C 0.036 175.554 175.510 0.014 0.000 1.037 41 N CA 1.404 54.463 53.050 0.015 0.000 0.898 41 N CB 1.733 40.233 38.487 0.022 0.000 1.010 41 N HN -0.748 7.639 8.380 0.012 0.000 0.445 42 I N -0.353 120.224 120.570 0.012 0.000 2.304 42 I HA -0.014 4.165 4.170 0.015 0.000 0.291 42 I C -0.400 175.727 176.117 0.016 0.000 1.018 42 I CA -1.079 60.229 61.300 0.013 0.000 1.260 42 I CB -2.110 35.896 38.000 0.010 0.000 1.390 42 I HN -0.175 8.040 8.210 0.009 0.000 0.475 43 G N 5.530 114.343 108.800 0.021 0.000 2.336 43 G HA2 -0.185 3.795 3.960 0.030 0.000 0.194 43 G HA3 -0.185 3.786 3.960 0.019 0.000 0.194 43 G C -0.205 174.707 174.900 0.020 0.000 0.999 43 G CA 0.419 45.533 45.100 0.023 0.000 0.669 43 G HN 0.378 8.681 8.290 0.022 0.000 0.482 44 Q N -0.005 119.805 119.800 0.017 0.000 2.319 44 Q HA -0.006 4.342 4.340 0.015 0.000 0.202 44 Q C 0.090 176.099 176.000 0.017 0.000 0.896 44 Q CA 0.435 56.247 55.803 0.015 0.000 0.942 44 Q CB 0.451 29.196 28.738 0.012 0.000 1.083 44 Q HN -0.399 7.880 8.270 0.016 0.000 0.510 45 L N -0.194 121.041 121.223 0.020 0.000 2.379 45 L HA 0.153 4.503 4.340 0.017 0.000 0.269 45 L C 2.118 179.003 176.870 0.025 0.000 1.084 45 L CA -1.334 53.517 54.840 0.020 0.000 0.802 45 L CB 1.248 43.318 42.059 0.019 0.000 1.175 45 L HN -0.770 7.402 8.230 0.022 0.071 0.448 46 L N -0.164 121.072 121.223 0.023 0.000 2.129 46 L HA -0.228 4.125 4.340 0.022 0.000 0.212 46 L C 0.228 177.120 176.870 0.036 0.000 1.087 46 L CA 2.067 56.922 54.840 0.025 0.000 0.757 46 L CB -0.518 41.553 42.059 0.020 0.000 0.896 46 L HN 0.367 8.608 8.230 0.018 0.000 0.434 47 G N -5.691 103.137 108.800 0.046 0.000 3.159 47 G HA2 0.241 4.249 3.960 0.080 0.000 0.232 47 G HA3 0.241 4.249 3.960 0.080 0.000 0.232 47 G C -1.789 173.175 174.900 0.106 0.000 1.116 47 G CA -0.332 44.815 45.100 0.077 0.000 0.767 47 G HN -0.356 7.949 8.290 0.037 0.007 0.547 48 V N 0.769 120.728 119.914 0.076 0.000 2.482 48 V HA 0.395 4.593 4.120 0.130 0.000 0.295 48 V C -2.143 173.985 176.094 0.056 0.000 1.026 48 V CA -1.695 60.656 62.300 0.085 0.000 0.856 48 V CB 1.632 33.494 31.823 0.065 0.000 1.001 48 V HN -0.319 7.778 8.190 0.053 0.125 0.424 49 Q N 5.857 125.690 119.800 0.054 0.000 2.396 49 Q HA 0.177 4.621 4.340 0.028 -0.087 0.220 49 Q C -0.275 175.741 176.000 0.026 0.000 0.900 49 Q CA 0.129 55.952 55.803 0.032 0.000 0.925 49 Q CB 2.067 30.820 28.738 0.024 0.000 1.065 49 Q HN 0.034 8.345 8.270 0.069 0.000 0.535 50 S N -2.144 113.574 115.700 0.031 0.000 2.671 50 S HA 0.185 4.666 4.470 0.019 0.000 0.277 50 S C -2.254 172.363 174.600 0.029 0.000 1.165 50 S CA -0.917 57.297 58.200 0.023 0.000 0.822 50 S CB 3.149 66.358 63.200 0.016 0.000 1.150 50 S HN -0.639 7.697 8.310 0.043 0.000 0.479 51 I N -0.196 120.386 120.570 0.019 0.000 2.769 51 I HA 0.291 4.478 4.170 0.027 0.000 0.298 51 I C -1.779 174.344 176.117 0.011 0.000 1.128 51 I CA -1.013 60.297 61.300 0.018 0.000 1.031 51 I CB 3.792 41.799 38.000 0.011 0.000 1.235 51 I HN 0.125 8.343 8.210 0.014 0.000 0.423 52 Q N 6.288 126.095 119.800 0.011 0.000 2.397 52 Q HA 0.494 4.835 4.340 0.001 0.000 0.275 52 Q C -2.142 173.858 176.000 0.001 0.000 1.090 52 Q CA -1.112 54.694 55.803 0.005 0.000 0.809 52 Q CB 4.371 33.114 28.738 0.009 0.000 1.362 52 Q HN 0.533 8.813 8.270 0.016 0.000 0.431 53 V N -0.466 119.444 119.914 -0.005 0.000 2.815 53 V HA 0.402 4.517 4.120 -0.009 0.000 0.314 53 V C -1.252 174.838 176.094 -0.007 0.000 1.064 53 V CA -2.555 59.739 62.300 -0.010 0.000 0.952 53 V CB 2.706 34.517 31.823 -0.020 0.000 1.020 53 V HN 0.142 8.329 8.190 -0.005 0.000 0.439 54 S N 3.082 118.778 115.700 -0.007 0.000 2.472 54 S HA 0.297 4.764 4.470 -0.005 0.000 0.191 54 S C -0.011 174.587 174.600 -0.005 0.000 1.244 54 S CA -1.355 56.842 58.200 -0.004 0.000 1.227 54 S CB 0.139 63.339 63.200 0.001 0.000 1.381 54 S HN 0.323 8.628 8.310 -0.008 0.000 0.394 55 L N 2.545 123.762 121.223 -0.010 0.000 2.201 55 L HA -0.256 4.079 4.340 -0.009 0.000 0.212 55 L C 1.381 178.247 176.870 -0.006 0.000 1.105 55 L CA 2.599 57.432 54.840 -0.011 0.000 0.775 55 L CB -0.502 41.544 42.059 -0.021 0.000 0.913 55 L HN 0.098 8.320 8.230 -0.013 0.000 0.440 56 E N -2.116 118.081 120.200 -0.006 0.000 2.268 56 E HA -0.303 4.045 4.350 -0.003 0.000 0.195 56 E C 1.359 177.960 176.600 0.002 0.000 0.995 56 E CA 2.070 58.468 56.400 -0.003 0.000 0.836 56 E CB -0.858 28.840 29.700 -0.004 0.000 0.763 56 E HN 0.335 8.670 8.360 -0.007 0.021 0.491 57 N N -1.711 116.990 118.700 0.002 0.000 2.409 57 N HA -0.164 4.580 4.740 0.005 0.000 0.174 57 N C -0.040 175.474 175.510 0.008 0.000 1.037 57 N CA 0.704 53.757 53.050 0.005 0.000 0.898 57 N CB 0.571 39.061 38.487 0.005 0.000 1.010 57 N HN -0.570 7.663 8.380 0.000 0.148 0.445 58 K N -8.480 111.924 120.400 0.007 0.000 3.477 58 K HA -0.287 4.149 4.320 0.010 -0.110 0.270 58 K C -2.080 174.525 176.600 0.008 0.000 1.295 58 K CA 0.998 57.292 56.287 0.011 0.000 0.941 58 K CB -2.260 30.252 32.500 0.018 0.000 1.419 58 K HN 0.124 8.282 8.250 0.003 0.094 0.509 59 T N -6.414 108.143 114.554 0.005 0.000 2.948 59 T HA 0.538 4.993 4.350 0.006 -0.102 0.285 59 T C -1.536 173.164 174.700 -0.000 0.000 1.019 59 T CA -2.622 59.480 62.100 0.005 0.000 1.013 59 T CB 3.221 72.094 68.868 0.008 0.000 1.117 59 T HN -0.568 7.675 8.240 0.004 0.000 0.533 60 A N -1.305 121.515 122.820 0.001 0.000 2.340 60 A HA 0.318 4.635 4.320 -0.005 0.000 0.331 60 A C -2.623 174.967 177.584 0.010 0.000 1.140 60 A CA -1.599 50.437 52.037 -0.001 0.000 0.801 60 A CB 2.965 21.960 19.000 -0.008 0.000 1.234 60 A HN 0.663 8.816 8.150 0.004 0.000 0.469 61 Q N 3.211 123.020 119.800 0.014 0.000 2.363 61 Q HA 0.719 5.262 4.340 0.034 -0.182 0.265 61 Q C -1.659 174.364 176.000 0.039 0.000 1.032 61 Q CA -1.343 54.476 55.803 0.027 0.000 0.746 61 Q CB 2.602 31.352 28.738 0.020 0.000 1.237 61 Q HN 0.443 8.718 8.270 0.008 0.000 0.475 62 V N 7.311 127.264 119.914 0.064 0.000 2.532 62 V HA 0.220 4.378 4.120 0.063 0.000 0.295 62 V C -2.135 174.042 176.094 0.139 0.000 1.041 62 V CA -1.546 60.808 62.300 0.090 0.000 0.926 62 V CB 3.370 35.240 31.823 0.079 0.000 0.992 62 V HN 0.780 9.012 8.190 0.071 0.000 0.457 63 K N 8.590 129.060 120.400 0.118 0.000 2.419 63 K HA 0.413 4.888 4.320 0.060 -0.119 0.244 63 K C -1.409 175.266 176.600 0.125 0.000 1.045 63 K CA -1.194 55.144 56.287 0.085 0.000 1.004 63 K CB -0.256 32.267 32.500 0.039 0.000 1.376 63 K HN -0.152 8.154 8.250 0.093 0.000 0.460 64 Y N 1.998 122.299 120.300 0.001 0.000 2.509 64 Y HA 0.495 5.127 4.550 0.002 -0.081 0.341 64 Y C -2.528 173.373 175.900 0.002 0.000 1.038 64 Y CA -3.043 55.058 58.100 0.002 0.000 1.089 64 Y CB 3.132 41.594 38.460 0.003 0.000 1.241 64 Y HN 0.825 9.146 8.280 0.069 0.000 0.468 65 D N 2.805 123.289 120.400 0.140 0.000 2.317 65 D HA 0.412 5.013 4.640 -0.066 0.000 0.234 65 D C -1.313 175.072 176.300 0.141 0.000 1.112 65 D CA -2.109 51.917 54.000 0.043 0.000 0.840 65 D CB 1.820 42.654 40.800 0.056 0.000 1.078 65 D HN 0.375 8.786 8.370 0.256 0.112 0.486 66 P HA 0.197 4.970 4.420 0.332 -0.154 0.247 66 P C -0.782 176.574 177.300 0.094 0.000 1.225 66 P CA 0.778 63.953 63.100 0.126 0.000 0.768 66 P CB 0.243 31.952 31.700 0.016 0.000 1.020 67 S N -2.141 113.599 115.700 0.067 0.000 2.425 67 S HA -0.057 4.436 4.470 0.037 0.000 0.225 67 S C 1.003 175.633 174.600 0.049 0.000 1.024 67 S CA 1.310 59.537 58.200 0.045 0.000 0.951 67 S CB 0.609 63.826 63.200 0.029 0.000 0.796 67 S HN 0.046 8.299 8.310 0.064 0.096 0.498 68 C N -0.690 118.648 119.300 0.064 0.000 3.097 68 C HA 0.401 4.883 4.460 0.036 0.000 0.335 68 C C 0.200 175.219 174.990 0.048 0.000 1.283 68 C CA 0.192 59.239 59.018 0.049 0.000 1.778 68 C CB 1.870 29.636 27.740 0.043 0.000 2.365 68 C HN -0.277 8.003 8.230 0.083 0.000 0.627 69 T N 0.138 114.738 114.554 0.077 0.000 2.778 69 T HA 0.267 4.621 4.350 0.006 0.000 0.293 69 T C -2.372 172.357 174.700 0.048 0.000 1.144 69 T CA -1.029 61.090 62.100 0.032 0.000 1.010 69 T CB 1.281 70.144 68.868 -0.009 0.000 1.325 69 T HN -0.612 7.703 8.240 0.124 0.000 0.515 70 S N -1.607 114.033 115.700 -0.101 0.000 2.595 70 S HA 0.473 4.931 4.470 -0.022 0.000 0.270 70 S C -1.951 172.487 174.600 -0.270 0.000 1.145 70 S CA -2.087 56.045 58.200 -0.114 0.000 0.825 70 S CB 1.215 64.414 63.200 -0.002 0.000 1.107 70 S HN -0.288 7.929 8.310 -0.155 0.000 0.461 71 P HA -0.243 3.989 4.420 -0.313 0.000 0.216 71 P C 0.600 177.822 177.300 -0.131 0.000 1.157 71 P CA 3.155 66.138 63.100 -0.195 0.000 0.880 71 P CB -0.020 31.636 31.700 -0.072 0.000 0.791 72 V N -3.164 116.702 119.914 -0.080 0.000 2.427 72 V HA -0.311 3.780 4.120 -0.049 0.000 0.248 72 V C 1.176 177.233 176.094 -0.061 0.000 1.051 72 V CA 2.777 65.044 62.300 -0.055 0.000 1.048 72 V CB -0.416 31.388 31.823 -0.032 0.000 0.666 72 V HN -0.275 7.879 8.190 -0.061 0.000 0.456 73 A N -0.040 122.736 122.820 -0.073 0.000 1.897 73 A HA -0.277 4.017 4.320 -0.043 0.000 0.215 73 A C 2.163 179.700 177.584 -0.079 0.000 1.181 73 A CA 3.042 55.041 52.037 -0.063 0.000 0.620 73 A CB -0.666 18.302 19.000 -0.053 0.000 0.821 73 A HN -0.641 7.459 8.150 -0.082 0.000 0.443 74 L N -1.396 119.747 121.223 -0.133 0.000 1.989 74 L HA -0.527 3.748 4.340 -0.108 0.000 0.211 74 L C 1.931 178.751 176.870 -0.084 0.000 1.071 74 L CA 3.307 58.065 54.840 -0.137 0.000 0.749 74 L CB -0.499 41.412 42.059 -0.247 0.000 0.890 74 L HN 0.396 8.518 8.230 -0.179 0.000 0.431 75 Q N -0.892 118.860 119.800 -0.080 0.000 2.045 75 Q HA -0.454 3.864 4.340 -0.038 0.000 0.206 75 Q C 2.451 178.435 176.000 -0.027 0.000 0.991 75 Q CA 3.561 59.337 55.803 -0.045 0.000 0.851 75 Q CB -0.279 28.434 28.738 -0.042 0.000 0.911 75 Q HN 0.073 8.280 8.270 -0.105 0.000 0.418 76 R N -3.240 117.243 120.500 -0.029 0.000 2.148 76 R HA -0.179 4.154 4.340 -0.012 0.000 0.227 76 R C 2.010 178.301 176.300 -0.014 0.000 1.103 76 R CA 1.530 57.619 56.100 -0.018 0.000 0.983 76 R CB -0.514 29.775 30.300 -0.019 0.000 0.874 76 R HN -0.119 8.128 8.270 -0.039 0.000 0.451 77 A N -1.197 121.611 122.820 -0.020 0.000 1.832 77 A HA -0.066 4.249 4.320 -0.008 0.000 0.214 77 A C 2.431 180.015 177.584 -0.000 0.000 1.204 77 A CA 2.391 54.421 52.037 -0.012 0.000 0.606 77 A CB -0.016 18.973 19.000 -0.020 0.000 0.849 77 A HN -0.389 7.613 8.150 -0.032 0.129 0.445 78 I N -3.723 116.846 120.570 -0.001 0.000 2.439 78 I HA -0.331 3.853 4.170 0.023 0.000 0.251 78 I C 1.949 178.090 176.117 0.041 0.000 1.139 78 I CA 3.199 64.509 61.300 0.017 0.000 1.438 78 I CB -0.193 37.812 38.000 0.008 0.000 1.085 78 I HN 0.145 8.346 8.210 -0.016 0.000 0.427 79 E N 1.150 121.369 120.200 0.032 0.000 2.338 79 E HA -0.280 4.115 4.350 0.076 0.000 0.197 79 E C -0.385 176.235 176.600 0.033 0.000 1.007 79 E CA 2.067 58.494 56.400 0.044 0.000 0.849 79 E CB 0.177 29.892 29.700 0.025 0.000 0.774 79 E HN -0.349 8.019 8.360 0.015 0.000 0.506 80 A N -3.893 118.939 122.820 0.021 0.000 2.423 80 A HA 0.181 4.501 4.320 -0.000 0.000 0.246 80 A C 0.377 177.971 177.584 0.018 0.000 1.278 80 A CA -0.444 51.599 52.037 0.009 0.000 0.903 80 A CB -0.200 18.800 19.000 0.001 0.000 0.997 80 A HN -0.747 7.372 8.150 0.019 0.043 0.510 81 L N -0.549 120.698 121.223 0.041 0.000 1.994 81 L HA -0.142 4.221 4.340 0.038 0.000 0.208 81 L C -0.966 175.936 176.870 0.054 0.000 1.071 81 L CA 1.997 56.870 54.840 0.055 0.000 0.745 81 L CB -1.777 40.332 42.059 0.083 0.000 0.892 81 L HN -0.513 7.574 8.230 0.052 0.175 0.431 82 P HA 0.258 4.667 4.420 -0.017 0.000 0.279 82 P C -2.053 175.198 177.300 -0.082 0.000 1.276 82 P CA -2.147 60.926 63.100 -0.044 0.000 0.801 82 P CB -0.968 30.599 31.700 -0.223 0.000 1.127 83 P HA -0.071 4.309 4.420 -0.067 0.000 0.230 83 P C -0.553 176.672 177.300 -0.125 0.000 1.791 83 P CA -0.235 62.805 63.100 -0.099 0.000 1.020 83 P CB -2.101 29.546 31.700 -0.088 0.000 1.977 84 G N 1.814 110.548 108.800 -0.109 0.000 2.249 84 G HA2 -0.400 3.518 3.960 -0.069 0.000 0.273 84 G HA3 -0.400 3.513 3.960 -0.078 0.000 0.273 84 G C -0.773 174.034 174.900 -0.155 0.000 1.036 84 G CA 0.761 45.802 45.100 -0.099 0.000 0.824 84 G HN -0.084 8.105 8.290 -0.083 0.051 0.504 85 N N -2.258 116.266 118.700 -0.294 0.000 2.294 85 N HA -0.054 4.499 4.740 -0.313 0.000 0.186 85 N C -1.224 173.956 175.510 -0.550 0.000 1.107 85 N CA 0.694 53.442 53.050 -0.504 0.000 0.884 85 N CB 1.315 39.328 38.487 -0.790 0.000 1.030 85 N HN 0.114 8.306 8.380 -0.295 0.011 0.482 86 F N -0.605 119.347 119.950 0.002 0.000 2.577 86 F HA 0.345 5.063 4.527 0.007 -0.186 0.344 86 F C -1.893 173.906 175.800 -0.000 0.000 1.145 86 F CA -2.059 55.943 58.000 0.004 0.000 0.996 86 F CB 0.687 39.690 39.000 0.006 0.000 1.248 86 F HN -0.417 7.776 8.300 -0.179 0.000 0.447 87 K N 3.796 124.285 120.400 0.149 0.000 2.156 87 K HA 0.264 4.747 4.320 0.061 -0.126 0.271 87 K C -1.091 175.549 176.600 0.066 0.000 0.995 87 K CA -1.143 55.190 56.287 0.076 0.000 0.890 87 K CB 2.475 35.001 32.500 0.042 0.000 1.073 87 K HN -0.107 8.238 8.250 0.157 0.000 0.454 88 V N 2.432 122.373 119.914 0.044 0.000 2.837 88 V HA 0.895 5.197 4.120 0.034 -0.161 0.310 88 V C -0.699 175.406 176.094 0.017 0.000 1.059 88 V CA -2.379 59.938 62.300 0.029 0.000 1.004 88 V CB 1.643 33.477 31.823 0.018 0.000 1.045 88 V HN 0.766 9.458 8.190 0.036 -0.480 0.465 89 S N 4.977 120.685 115.700 0.013 0.000 2.707 89 S HA 0.329 4.802 4.470 0.005 0.000 0.303 89 S C -1.315 173.288 174.600 0.004 0.000 1.132 89 S CA -0.593 57.612 58.200 0.007 0.000 1.046 89 S CB 1.544 64.749 63.200 0.009 0.000 1.004 89 S HN 0.469 8.681 8.310 0.014 0.106 0.483 121 C N -1.043 118.176 119.300 -0.136 0.000 2.888 121 C HA 0.856 5.353 4.460 -0.238 -0.180 0.308 121 C C -2.023 172.785 174.990 -0.303 0.000 1.213 121 C CA -2.610 56.286 59.018 -0.203 0.000 1.461 121 C CB 4.189 31.855 27.740 -0.124 0.000 1.934 121 C HN -0.431 7.730 8.230 -0.115 0.000 0.474 122 S N 1.707 117.096 115.700 -0.519 0.000 2.579 122 S HA 0.380 4.689 4.470 -0.269 0.000 0.272 122 S C -2.009 172.378 174.600 -0.356 0.000 1.141 122 S CA -0.761 57.128 58.200 -0.517 0.000 0.843 122 S CB 1.721 64.477 63.200 -0.741 0.000 1.122 122 S HN 0.922 8.878 8.310 -0.590 0.000 0.468 123 T N 4.112 118.624 114.554 -0.070 0.000 2.841 123 T HA 0.784 5.373 4.350 0.124 -0.165 0.283 123 T C -0.275 174.536 174.700 0.185 0.000 1.000 123 T CA -0.835 61.313 62.100 0.081 0.000 0.977 123 T CB 1.803 70.692 68.868 0.035 0.000 0.979 123 T HN 0.108 8.318 8.240 -0.050 0.000 0.446 124 T N 4.180 118.861 114.554 0.212 0.000 2.883 124 T HA 0.359 4.774 4.350 0.109 0.000 0.301 124 T C -2.438 172.304 174.700 0.070 0.000 1.158 124 T CA -1.190 60.992 62.100 0.136 0.000 1.007 124 T CB 3.150 72.096 68.868 0.130 0.000 1.186 124 T HN 0.810 9.177 8.240 0.212 0.000 0.499 125 L N 3.782 125.028 121.223 0.039 0.000 2.346 125 L HA 0.849 5.383 4.340 0.021 -0.181 0.274 125 L C -2.043 174.830 176.870 0.005 0.000 1.007 125 L CA -1.479 53.373 54.840 0.020 0.000 0.818 125 L CB 3.331 45.401 42.059 0.018 0.000 1.284 125 L HN 0.253 8.507 8.230 0.039 0.000 0.424 126 I N 2.391 122.960 120.570 -0.001 0.000 2.545 126 I HA 0.654 4.948 4.170 -0.012 -0.132 0.292 126 I C -1.910 174.202 176.117 -0.008 0.000 1.040 126 I CA -3.012 58.282 61.300 -0.009 0.000 1.068 126 I CB 3.269 41.261 38.000 -0.012 0.000 1.251 126 I HN 0.986 9.093 8.210 0.002 0.104 0.424 127 A N 5.995 128.810 122.820 -0.008 0.000 2.292 127 A HA 0.733 5.192 4.320 -0.012 -0.146 0.319 127 A C -1.886 175.693 177.584 -0.009 0.000 1.206 127 A CA -1.954 50.077 52.037 -0.009 0.000 0.835 127 A CB 2.503 21.499 19.000 -0.007 0.000 1.164 127 A HN 1.107 9.140 8.150 -0.008 0.111 0.505 128 I N 2.296 122.857 120.570 -0.015 0.000 2.509 128 I HA 0.399 4.716 4.170 0.002 -0.146 0.293 128 I C -1.842 174.262 176.117 -0.021 0.000 1.020 128 I CA -0.895 60.395 61.300 -0.016 0.000 1.088 128 I CB 3.935 41.914 38.000 -0.036 0.000 1.267 128 I HN 0.594 8.792 8.210 -0.021 0.000 0.430 129 A N 4.862 127.682 122.820 0.000 0.000 3.201 129 A HA 0.371 4.682 4.320 -0.014 0.000 0.312 129 A C -1.173 176.428 177.584 0.029 0.000 1.011 129 A CA -0.567 51.473 52.037 0.005 0.000 0.987 129 A CB 0.241 19.251 19.000 0.018 0.000 1.060 129 A HN 0.753 8.803 8.150 0.023 0.114 0.505 130 G N -0.731 108.043 108.800 -0.044 0.000 4.836 130 G HA2 0.149 4.103 3.960 -0.010 0.000 0.222 130 G HA3 0.149 4.119 3.960 0.016 0.000 0.222 130 G C -1.962 172.671 174.900 -0.443 0.000 1.332 130 G CA 0.426 45.454 45.100 -0.120 0.000 0.606 130 G HN -0.264 7.971 8.290 -0.092 0.000 0.357 131 M N -0.560 118.886 119.600 -0.257 0.000 2.106 131 M HA 0.219 4.483 4.480 -0.358 0.000 0.288 131 M C -0.801 175.409 176.300 -0.149 0.000 0.941 131 M CA -0.196 54.953 55.300 -0.251 0.000 0.934 131 M CB 2.030 34.512 32.600 -0.196 0.000 1.551 131 M HN -0.416 7.784 8.290 -0.150 0.000 0.437 132 T N 3.582 118.052 114.554 -0.140 0.000 2.975 132 T HA 0.234 4.547 4.350 -0.061 0.000 0.257 132 T C -0.543 174.120 174.700 -0.061 0.000 1.003 132 T CA 0.074 62.127 62.100 -0.078 0.000 0.932 132 T CB 1.225 70.059 68.868 -0.055 0.000 1.087 132 T HN 0.582 8.708 8.240 -0.191 0.000 0.512 133 C N -0.168 119.087 119.300 -0.076 0.000 3.311 133 C HA 0.199 4.637 4.460 -0.037 0.000 0.325 133 C C 0.257 175.212 174.990 -0.060 0.000 1.352 133 C CA -0.411 58.576 59.018 -0.052 0.000 1.308 133 C CB 2.994 30.712 27.740 -0.036 0.000 1.619 133 C HN -0.816 7.347 8.230 -0.111 0.000 0.469 134 A N 1.889 124.691 122.820 -0.030 0.000 1.978 134 A HA -0.220 4.080 4.320 -0.033 0.000 0.220 134 A C 1.196 178.772 177.584 -0.014 0.000 1.170 134 A CA 3.147 55.173 52.037 -0.018 0.000 0.636 134 A CB -0.586 18.419 19.000 0.007 0.000 0.810 134 A HN 0.584 8.723 8.150 -0.018 0.000 0.448 135 S N -1.168 114.529 115.700 -0.005 0.000 2.440 135 S HA -0.277 4.290 4.470 0.162 0.000 0.240 135 S C 1.678 176.077 174.600 -0.335 0.000 1.014 135 S CA 2.402 60.566 58.200 -0.059 0.000 0.980 135 S CB -1.010 62.199 63.200 0.014 0.000 0.775 135 S HN 0.206 8.504 8.310 0.005 0.014 0.499 136 C N 2.012 121.174 119.300 -0.230 0.000 2.413 136 C HA -0.381 3.891 4.460 -0.315 0.000 0.277 136 C C 1.725 176.578 174.990 -0.227 0.000 1.265 136 C CA 4.238 63.094 59.018 -0.270 0.000 1.752 136 C CB -1.625 25.956 27.740 -0.265 0.000 1.998 136 C HN -0.117 7.872 8.230 -0.159 0.145 0.489 137 V N 0.199 120.026 119.914 -0.145 0.000 2.261 137 V HA -0.495 3.581 4.120 -0.073 0.000 0.246 137 V C 1.277 177.346 176.094 -0.041 0.000 1.047 137 V CA 4.931 67.190 62.300 -0.070 0.000 1.015 137 V CB -0.089 31.726 31.823 -0.014 0.000 0.642 137 V HN 0.303 8.292 8.190 -0.118 0.131 0.446 138 H N -2.660 116.399 119.070 -0.019 0.000 2.491 138 H HA -0.201 4.352 4.556 -0.005 0.000 0.290 138 H C 1.588 176.916 175.328 0.001 0.000 1.050 138 H CA 2.148 58.192 56.048 -0.007 0.000 1.309 138 H CB -0.924 28.836 29.762 -0.005 0.000 1.392 138 H HN -0.119 8.144 8.280 -0.027 0.000 0.554 139 S N 1.419 116.898 115.700 -0.369 0.000 2.345 139 S HA -0.294 4.129 4.470 -0.078 0.000 0.219 139 S C 1.951 176.520 174.600 -0.052 0.000 1.031 139 S CA 4.381 62.464 58.200 -0.195 0.000 0.984 139 S CB -0.052 62.989 63.200 -0.265 0.000 0.874 139 S HN -0.574 7.361 8.310 -0.564 0.036 0.451 140 I N 3.288 123.818 120.570 -0.066 0.000 2.133 140 I HA -0.377 3.802 4.170 0.015 0.000 0.238 140 I C 1.980 178.100 176.117 0.005 0.000 1.074 140 I CA 4.446 65.734 61.300 -0.019 0.000 1.342 140 I CB 0.204 38.174 38.000 -0.049 0.000 1.053 140 I HN 0.361 8.495 8.210 -0.127 0.000 0.404 141 E N -0.567 119.635 120.200 0.004 0.000 2.160 141 E HA -0.336 4.026 4.350 0.019 0.000 0.195 141 E C 1.852 178.473 176.600 0.036 0.000 0.991 141 E CA 3.049 59.463 56.400 0.022 0.000 0.810 141 E CB -0.232 29.485 29.700 0.029 0.000 0.742 141 E HN 0.005 8.358 8.360 -0.012 0.000 0.466 142 G N -1.307 107.521 108.800 0.047 0.000 2.456 142 G HA2 -0.198 3.794 3.960 0.053 0.000 0.213 142 G HA3 -0.198 3.891 3.960 0.076 -0.083 0.213 142 G C 0.859 175.786 174.900 0.044 0.000 1.215 142 G CA 1.301 46.435 45.100 0.056 0.000 0.805 142 G HN -0.675 7.605 8.290 0.042 0.036 0.537 143 M N 0.698 120.324 119.600 0.043 0.000 2.200 143 M HA -0.062 4.441 4.480 0.038 0.000 0.265 143 M C 2.500 178.821 176.300 0.034 0.000 1.066 143 M CA 1.641 56.965 55.300 0.040 0.000 1.127 143 M CB -0.063 32.565 32.600 0.047 0.000 1.379 143 M HN -0.140 8.175 8.290 0.042 0.000 0.420 144 I N -1.497 119.093 120.570 0.033 0.000 2.676 144 I HA -0.257 3.929 4.170 0.026 0.000 0.259 144 I C 1.909 178.042 176.117 0.026 0.000 1.194 144 I CA 1.174 62.491 61.300 0.028 0.000 1.473 144 I CB -1.883 36.133 38.000 0.027 0.000 1.096 144 I HN -0.106 8.124 8.210 0.034 0.000 0.443 145 S N -2.249 113.468 115.700 0.029 0.000 2.595 145 S HA -0.236 4.252 4.470 0.030 0.000 0.235 145 S C 0.689 175.304 174.600 0.026 0.000 0.974 145 S CA 2.014 60.231 58.200 0.029 0.000 0.942 145 S CB -0.679 62.539 63.200 0.029 0.000 0.766 145 S HN 0.135 8.434 8.310 0.030 0.029 0.536 146 Q N -1.824 117.991 119.800 0.025 0.000 2.247 146 Q HA 0.050 4.403 4.340 0.021 0.000 0.211 146 Q C 0.707 176.719 176.000 0.019 0.000 0.861 146 Q CA 0.463 56.279 55.803 0.022 0.000 0.949 146 Q CB 1.098 29.848 28.738 0.021 0.000 1.115 146 Q HN -0.609 7.581 8.270 0.025 0.094 0.507 147 L N -4.821 116.414 121.223 0.020 0.000 2.818 147 L HA 0.215 4.563 4.340 0.014 0.000 0.243 147 L C -0.903 175.979 176.870 0.020 0.000 1.185 147 L CA -0.758 54.092 54.840 0.017 0.000 0.988 147 L CB -0.579 41.488 42.059 0.013 0.000 1.292 147 L HN -0.708 7.535 8.230 0.021 0.000 0.519 148 E N -2.776 117.438 120.200 0.024 0.000 8.933 148 E HA -0.273 4.093 4.350 0.027 0.000 0.476 148 E C 0.948 177.572 176.600 0.040 0.000 1.294 148 E CA 0.176 56.593 56.400 0.028 0.000 2.268 148 E CB 0.038 29.752 29.700 0.024 0.000 1.014 148 E HN -0.731 7.568 8.360 0.023 0.075 0.263 149 G N -1.985 106.843 108.800 0.046 0.000 2.382 149 G HA2 -0.360 3.636 3.960 0.060 0.000 0.259 149 G HA3 -0.360 3.651 3.960 0.085 0.000 0.259 149 G C -0.669 174.284 174.900 0.089 0.000 1.009 149 G CA 1.013 46.155 45.100 0.070 0.000 0.625 149 G HN 0.340 8.652 8.290 0.037 0.000 0.541 150 V N 1.986 121.945 119.914 0.074 0.000 2.393 150 V HA -0.230 3.953 4.120 0.105 0.000 0.257 150 V C -0.439 175.688 176.094 0.055 0.000 1.040 150 V CA 0.699 63.043 62.300 0.073 0.000 1.097 150 V CB -0.355 31.500 31.823 0.053 0.000 1.101 150 V HN -0.329 7.749 8.190 0.058 0.147 0.479 151 Q N 8.671 128.504 119.800 0.055 0.000 2.062 151 Q HA -0.094 4.262 4.340 0.027 0.000 0.196 151 Q C 0.057 176.075 176.000 0.030 0.000 0.967 151 Q CA 1.330 57.153 55.803 0.033 0.000 0.832 151 Q CB 1.222 29.972 28.738 0.019 0.000 0.899 151 Q HN 0.260 8.575 8.270 0.075 0.000 0.442 152 Q N -3.191 116.631 119.800 0.037 0.000 2.315 152 Q HA 0.240 4.596 4.340 0.027 0.000 0.273 152 Q C -2.772 173.251 176.000 0.039 0.000 1.053 152 Q CA -0.454 55.368 55.803 0.031 0.000 0.817 152 Q CB 3.479 32.231 28.738 0.023 0.000 1.326 152 Q HN -0.582 7.718 8.270 0.050 0.000 0.423 153 I N 3.237 123.826 120.570 0.032 0.000 2.569 153 I HA 0.550 4.873 4.170 0.035 -0.132 0.290 153 I C -2.082 174.048 176.117 0.022 0.000 1.088 153 I CA -1.708 59.610 61.300 0.030 0.000 1.047 153 I CB 3.376 41.394 38.000 0.030 0.000 1.237 153 I HN 0.222 8.448 8.210 0.027 0.000 0.421 154 S N 9.146 124.857 115.700 0.018 0.000 2.541 154 S HA 0.375 4.852 4.470 0.012 0.000 0.280 154 S C -2.478 172.125 174.600 0.005 0.000 1.112 154 S CA -1.177 57.031 58.200 0.012 0.000 0.925 154 S CB 2.483 65.690 63.200 0.012 0.000 1.067 154 S HN 0.538 8.861 8.310 0.021 0.000 0.479 155 V N 4.849 124.762 119.914 -0.001 0.000 2.932 155 V HA 0.591 4.853 4.120 -0.011 -0.149 0.307 155 V C -2.159 173.925 176.094 -0.017 0.000 1.147 155 V CA -1.783 60.510 62.300 -0.012 0.000 0.951 155 V CB 3.764 35.573 31.823 -0.022 0.000 1.031 155 V HN 0.413 8.604 8.190 0.001 0.000 0.426 156 S N 5.626 121.314 115.700 -0.021 0.000 2.548 156 S HA 0.397 4.853 4.470 -0.023 0.000 0.276 156 S C -0.511 174.071 174.600 -0.031 0.000 1.129 156 S CA -1.763 56.423 58.200 -0.022 0.000 0.931 156 S CB 2.424 65.616 63.200 -0.014 0.000 1.068 156 S HN 0.715 9.012 8.310 -0.021 0.000 0.480 157 L N 6.821 128.023 121.223 -0.035 0.000 2.376 157 L HA -0.161 4.150 4.340 -0.048 0.000 0.219 157 L C 0.932 177.785 176.870 -0.029 0.000 1.133 157 L CA 1.891 56.707 54.840 -0.039 0.000 0.816 157 L CB 0.011 42.044 42.059 -0.043 0.000 0.933 157 L HN 0.634 8.845 8.230 -0.032 0.000 0.449 158 A N -1.503 121.304 122.820 -0.022 0.000 1.908 158 A HA -0.232 4.078 4.320 -0.016 0.000 0.218 158 A C 1.391 178.966 177.584 -0.016 0.000 1.181 158 A CA 2.399 54.426 52.037 -0.017 0.000 0.627 158 A CB -0.209 18.784 19.000 -0.013 0.000 0.818 158 A HN -0.564 7.521 8.150 -0.021 0.052 0.445 159 E N -3.136 117.054 120.200 -0.016 0.000 2.511 159 E HA 0.053 4.396 4.350 -0.013 0.000 0.209 159 E C 0.070 176.660 176.600 -0.018 0.000 0.986 159 E CA -0.930 55.462 56.400 -0.014 0.000 0.974 159 E CB 0.814 30.508 29.700 -0.011 0.000 1.030 159 E HN -0.049 8.301 8.360 -0.017 0.000 0.490 160 G N 1.614 110.399 108.800 -0.024 0.000 2.291 160 G HA2 -0.376 3.601 3.960 -0.042 0.000 0.271 160 G HA3 -0.376 3.565 3.960 -0.031 0.000 0.271 160 G C -1.368 173.515 174.900 -0.028 0.000 1.099 160 G CA 0.369 45.450 45.100 -0.032 0.000 0.919 160 G HN -0.278 7.954 8.290 -0.025 0.043 0.496 161 T N -3.661 110.879 114.554 -0.024 0.000 2.916 161 T HA 1.015 5.519 4.350 -0.017 -0.164 0.305 161 T C -2.217 172.474 174.700 -0.015 0.000 1.119 161 T CA -2.228 59.862 62.100 -0.017 0.000 1.008 161 T CB 3.084 71.946 68.868 -0.010 0.000 1.129 161 T HN -0.046 8.179 8.240 -0.025 0.000 0.480 162 A N 2.178 124.992 122.820 -0.010 0.000 2.356 162 A HA 0.782 5.222 4.320 -0.004 -0.122 0.323 162 A C -2.179 175.408 177.584 0.006 0.000 1.119 162 A CA -2.051 49.983 52.037 -0.004 0.000 0.790 162 A CB 3.415 22.412 19.000 -0.005 0.000 1.273 162 A HN 1.041 9.075 8.150 -0.009 0.111 0.452 163 T N 2.310 116.872 114.554 0.013 0.000 2.848 163 T HA 0.817 5.361 4.350 0.030 -0.176 0.285 163 T C -1.627 173.094 174.700 0.036 0.000 0.995 163 T CA -1.355 60.760 62.100 0.026 0.000 0.970 163 T CB 2.260 71.141 68.868 0.022 0.000 0.976 163 T HN 0.650 8.789 8.240 0.011 0.108 0.441 164 V N 8.037 127.986 119.914 0.060 0.000 2.808 164 V HA 0.833 5.148 4.120 0.062 -0.159 0.308 164 V C -3.587 172.587 176.094 0.135 0.000 1.099 164 V CA -2.936 59.412 62.300 0.080 0.000 0.920 164 V CB 3.893 35.756 31.823 0.066 0.000 1.014 164 V HN 1.072 9.303 8.190 0.069 0.000 0.425 165 L N 8.459 129.747 121.223 0.108 0.000 2.255 165 L HA 0.726 5.277 4.340 0.074 -0.166 0.289 165 L C -1.969 174.978 176.870 0.128 0.000 1.046 165 L CA -2.306 52.584 54.840 0.084 0.000 0.816 165 L CB -0.107 41.969 42.059 0.028 0.000 1.197 165 L HN 0.765 8.933 8.230 0.081 0.111 0.427 166 Y N 4.281 124.583 120.300 0.004 0.000 2.549 166 Y HA 0.666 5.378 4.550 0.005 -0.159 0.339 166 Y C -2.431 173.471 175.900 0.003 0.000 1.053 166 Y CA -3.575 54.527 58.100 0.004 0.000 1.105 166 Y CB 3.230 41.692 38.460 0.004 0.000 1.258 166 Y HN 1.126 9.416 8.280 0.016 0.000 0.478 167 N N 1.183 119.941 118.700 0.096 0.000 2.420 167 N HA 0.509 5.392 4.740 -0.105 -0.206 0.249 167 N C -1.019 174.550 175.510 0.099 0.000 1.033 167 N CA -4.046 49.007 53.050 0.005 0.000 0.944 167 N CB 1.494 40.005 38.487 0.041 0.000 1.113 167 N HN -0.024 8.370 8.380 0.197 0.104 0.502 168 P HA 0.402 5.241 4.420 0.418 -0.169 0.236 168 P C -0.152 177.208 177.300 0.099 0.000 1.177 168 P CA 0.969 64.135 63.100 0.111 0.000 0.773 168 P CB 0.300 31.975 31.700 -0.042 0.000 0.878 169 A N -1.185 121.666 122.820 0.051 0.000 1.874 169 A HA -0.084 4.260 4.320 0.040 0.000 0.214 169 A C 1.403 179.020 177.584 0.055 0.000 1.189 169 A CA 2.129 54.191 52.037 0.043 0.000 0.615 169 A CB 0.182 19.194 19.000 0.021 0.000 0.830 169 A HN -0.271 8.062 8.150 0.026 -0.167 0.443 170 V N -2.812 117.142 119.914 0.065 0.000 2.407 170 V HA -0.163 3.982 4.120 0.043 0.000 0.245 170 V C 0.285 176.421 176.094 0.069 0.000 1.041 170 V CA 2.402 64.737 62.300 0.060 0.000 1.040 170 V CB 1.022 32.878 31.823 0.055 0.000 0.671 170 V HN -0.276 8.345 8.190 0.065 -0.393 0.455 171 I N -2.727 117.911 120.570 0.113 0.000 2.894 171 I HA 0.310 4.691 4.170 0.035 -0.189 0.302 171 I C -2.731 173.423 176.117 0.062 0.000 1.188 171 I CA -1.971 59.374 61.300 0.075 0.000 1.014 171 I CB 4.316 42.349 38.000 0.055 0.000 1.242 171 I HN -0.167 8.145 8.210 0.171 0.000 0.430 172 S N 6.363 122.029 115.700 -0.057 0.000 2.578 172 S HA 0.588 4.976 4.470 -0.137 0.000 0.301 172 S C -1.418 172.999 174.600 -0.305 0.000 1.091 172 S CA -2.752 55.359 58.200 -0.149 0.000 1.032 172 S CB 0.353 63.520 63.200 -0.055 0.000 1.064 172 S HN -0.097 8.470 8.310 -0.049 -0.287 0.508 173 P HA -0.242 3.895 4.420 -0.471 0.000 0.216 173 P C 0.929 178.120 177.300 -0.182 0.000 1.154 173 P CA 2.514 65.400 63.100 -0.356 0.000 0.865 173 P CB -0.053 31.487 31.700 -0.266 0.000 0.789 174 E N -4.395 115.732 120.200 -0.122 0.000 2.265 174 E HA -0.292 4.019 4.350 -0.065 0.000 0.196 174 E C 2.224 178.786 176.600 -0.064 0.000 0.996 174 E CA 2.736 59.092 56.400 -0.074 0.000 0.832 174 E CB -1.158 28.512 29.700 -0.050 0.000 0.756 174 E HN 0.638 8.927 8.360 -0.119 0.000 0.491 175 E N -0.702 119.452 120.200 -0.078 0.000 2.158 175 E HA -0.247 4.078 4.350 -0.041 0.000 0.191 175 E C 1.980 178.546 176.600 -0.056 0.000 0.982 175 E CA 1.866 58.231 56.400 -0.058 0.000 0.823 175 E CB 0.031 29.698 29.700 -0.054 0.000 0.766 175 E HN -0.169 7.966 8.360 -0.106 0.161 0.468 176 L N -0.957 120.216 121.223 -0.083 0.000 1.989 176 L HA -0.430 3.883 4.340 -0.046 0.000 0.211 176 L C 1.613 178.462 176.870 -0.035 0.000 1.071 176 L CA 3.156 57.958 54.840 -0.064 0.000 0.749 176 L CB -0.506 41.496 42.059 -0.096 0.000 0.890 176 L HN -0.449 7.597 8.230 -0.123 0.111 0.431 177 R N -1.256 119.221 120.500 -0.039 0.000 2.094 177 R HA -0.558 3.778 4.340 -0.008 0.000 0.239 177 R C 1.889 178.183 176.300 -0.009 0.000 1.137 177 R CA 3.616 59.705 56.100 -0.019 0.000 0.943 177 R CB -0.287 29.999 30.300 -0.024 0.000 0.850 177 R HN -0.668 7.566 8.270 -0.059 0.000 0.433 178 A N -1.948 120.861 122.820 -0.018 0.000 1.978 178 A HA -0.124 4.389 4.320 -0.013 -0.201 0.220 178 A C 1.970 179.548 177.584 -0.010 0.000 1.170 178 A CA 2.737 54.765 52.037 -0.015 0.000 0.636 178 A CB -0.764 18.225 19.000 -0.020 0.000 0.810 178 A HN -0.565 7.569 8.150 -0.028 0.000 0.448 179 A N -1.574 121.243 122.820 -0.006 0.000 1.929 179 A HA -0.276 4.042 4.320 -0.003 0.000 0.216 179 A C 1.875 179.471 177.584 0.020 0.000 1.176 179 A CA 2.636 54.675 52.037 0.003 0.000 0.628 179 A CB -0.470 18.533 19.000 0.004 0.000 0.816 179 A HN -0.535 7.481 8.150 -0.011 0.127 0.444 180 I N -1.566 119.027 120.570 0.039 0.000 2.353 180 I HA -0.506 3.743 4.170 0.133 0.000 0.248 180 I C 1.823 177.983 176.117 0.072 0.000 1.119 180 I CA 3.514 64.870 61.300 0.094 0.000 1.417 180 I CB -0.241 37.820 38.000 0.102 0.000 1.078 180 I HN -0.605 7.620 8.210 0.025 0.000 0.421 181 E N 0.102 120.317 120.200 0.025 0.000 2.110 181 E HA -0.317 4.270 4.350 -0.006 -0.241 0.193 181 E C 2.212 178.779 176.600 -0.055 0.000 0.988 181 E CA 2.503 58.897 56.400 -0.011 0.000 0.804 181 E CB -0.217 29.477 29.700 -0.009 0.000 0.745 181 E HN -0.210 8.163 8.360 0.021 0.000 0.458 182 D N -1.535 118.838 120.400 -0.044 0.000 2.224 182 D HA -0.160 4.440 4.640 -0.066 0.000 0.205 182 D C 1.460 177.705 176.300 -0.092 0.000 0.965 182 D CA 2.143 56.107 54.000 -0.059 0.000 0.852 182 D CB 0.206 40.986 40.800 -0.033 0.000 0.947 182 D HN -0.411 7.869 8.370 -0.022 0.077 0.494 183 M N -2.025 117.523 119.600 -0.086 0.000 2.229 183 M HA -0.179 4.249 4.480 -0.088 0.000 0.264 183 M C 0.781 176.817 176.300 -0.440 0.000 1.063 183 M CA 1.588 56.810 55.300 -0.130 0.000 1.114 183 M CB 1.274 33.907 32.600 0.054 0.000 1.387 183 M HN -0.486 7.680 8.290 -0.037 0.102 0.420 184 G N -2.950 105.524 108.800 -0.543 0.000 2.173 184 G HA2 -0.217 3.510 3.960 -0.388 0.000 0.142 184 G HA3 -0.217 3.262 3.960 -0.802 0.000 0.142 184 G C -1.113 173.286 174.900 -0.835 0.000 1.019 184 G CA -0.468 44.209 45.100 -0.704 0.000 0.699 184 G HN -0.483 7.496 8.290 -0.306 0.128 0.495 185 F N -0.468 119.471 119.950 -0.018 0.000 2.840 185 F HA 0.303 4.819 4.527 -0.017 0.000 0.382 185 F C -1.633 174.156 175.800 -0.017 0.000 1.304 185 F CA -1.992 55.997 58.000 -0.019 0.000 1.120 185 F CB 1.777 40.763 39.000 -0.022 0.000 1.607 185 F HN -0.322 7.824 8.300 -0.256 0.000 0.482 186 E N -2.241 118.083 120.200 0.207 0.000 2.292 186 E HA 0.250 4.640 4.350 0.068 0.000 0.272 186 E C -2.080 174.566 176.600 0.076 0.000 0.881 186 E CA -1.162 55.296 56.400 0.097 0.000 0.754 186 E CB 3.356 33.096 29.700 0.066 0.000 1.201 186 E HN 0.316 8.835 8.360 0.266 0.000 0.425 187 A N 3.577 126.424 122.820 0.045 0.000 2.469 187 A HA 0.913 5.398 4.320 0.020 -0.153 0.299 187 A C -1.778 175.811 177.584 0.008 0.000 1.098 187 A CA -1.466 50.585 52.037 0.024 0.000 0.737 187 A CB 3.288 22.302 19.000 0.023 0.000 1.312 187 A HN 0.290 8.462 8.150 0.037 0.000 0.414 188 S N -0.858 114.842 115.700 -0.000 0.000 2.540 188 S HA 0.376 4.841 4.470 -0.008 0.000 0.275 188 S C -1.806 172.787 174.600 -0.012 0.000 1.123 188 S CA -1.473 56.723 58.200 -0.006 0.000 0.907 188 S CB 1.546 64.745 63.200 -0.003 0.000 1.081 188 S HN 0.561 8.871 8.310 -0.001 0.000 0.476 189 V N 3.958 123.862 119.914 -0.018 0.000 2.383 189 V HA 0.321 4.427 4.120 -0.023 0.000 0.275 189 V C -1.186 174.901 176.094 -0.012 0.000 1.036 189 V CA -1.273 61.013 62.300 -0.023 0.000 0.889 189 V CB 0.783 32.582 31.823 -0.040 0.000 0.985 189 V HN 0.317 8.497 8.190 -0.017 0.000 0.459 190 V N 0.000 119.910 119.914 -0.007 0.000 2.409 190 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 190 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 190 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 190 V HN 0.000 8.185 8.190 -0.008 0.000 0.556