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 1hpw_9_A DATA FIRST_RESID 22 DATA SEQUENCE ALEGTEFARA QLSEAMTLAS GLKTKVSDIF SQDGScPANT AATAGIEKDT DATA SEQUENCE DINGKYVAKV TTGGTAAASG GcTIVATMKA SDVATPLRGK TLTLTLGNAD DATA SEQUENCE KGSYTWAcTS NADNKYLPKT cQTATTTTP 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 22 A HA 0.000 4.325 4.320 0.008 0.000 0.244 22 A C 0.000 177.589 177.584 0.008 0.000 1.274 22 A CA 0.000 52.041 52.037 0.007 0.000 0.836 22 A CB 0.000 19.004 19.000 0.006 0.000 0.831 23 L N 0.962 122.192 121.223 0.011 0.000 2.731 23 L HA 0.489 4.837 4.340 0.012 0.000 0.256 23 L C -0.700 176.182 176.870 0.020 0.000 0.947 23 L CA -0.036 54.812 54.840 0.013 0.000 0.914 23 L CB 1.929 43.994 42.059 0.011 0.000 1.470 23 L HN 0.784 9.021 8.230 0.012 0.000 0.421 24 E N 1.049 121.265 120.200 0.026 0.000 2.561 24 E HA 0.521 4.891 4.350 0.034 0.000 0.254 24 E C -1.310 175.317 176.600 0.045 0.000 1.213 24 E CA -0.148 56.275 56.400 0.038 0.000 0.995 24 E CB 1.808 31.540 29.700 0.053 0.000 1.233 24 E HN 0.588 8.962 8.360 0.023 0.000 0.556 25 G N -0.027 108.808 108.800 0.059 0.000 2.851 25 G HA2 -0.015 3.977 3.960 0.053 0.000 0.208 25 G HA3 -0.015 3.975 3.960 0.050 0.000 0.208 25 G C -0.773 174.191 174.900 0.107 0.000 1.894 25 G CA 0.340 45.478 45.100 0.063 0.000 0.732 25 G HN -0.001 8.327 8.290 0.064 0.000 0.802 26 T N 1.580 116.195 114.554 0.101 0.000 3.241 26 T HA 0.255 4.777 4.350 0.287 0.000 0.387 26 T C -1.677 173.047 174.700 0.039 0.000 1.451 26 T CA 0.127 62.312 62.100 0.141 0.000 1.363 26 T CB -0.646 68.274 68.868 0.086 0.000 1.074 26 T HN -0.487 7.790 8.240 0.063 0.000 0.598 27 E N 6.396 126.661 120.200 0.108 0.000 2.551 27 E HA 0.193 4.419 4.350 -0.207 0.000 0.321 27 E C -1.929 174.721 176.600 0.083 0.000 0.975 27 E CA 0.858 57.237 56.400 -0.035 0.000 0.784 27 E CB 0.524 30.226 29.700 0.003 0.000 1.493 27 E HN 0.302 8.843 8.360 0.302 0.000 0.385 28 F N 2.111 122.063 119.950 0.004 0.000 2.615 28 F HA 0.363 4.893 4.527 0.004 0.000 0.312 28 F C -1.099 174.704 175.800 0.005 0.000 1.119 28 F CA -1.523 56.480 58.000 0.004 0.000 0.979 28 F CB 0.472 39.474 39.000 0.004 0.000 1.266 28 F HN -0.191 7.593 8.300 -0.859 0.000 0.444 29 A N 3.541 126.443 122.820 0.137 0.000 2.713 29 A HA 0.385 4.713 4.320 0.013 0.000 0.296 29 A C 0.252 177.919 177.584 0.139 0.000 1.255 29 A CA -0.584 51.498 52.037 0.075 0.000 0.955 29 A CB 0.516 19.530 19.000 0.023 0.000 1.149 29 A HN 0.423 8.671 8.150 0.163 0.000 0.538 30 R N -0.069 120.575 120.500 0.241 0.000 2.115 30 R HA -0.272 4.131 4.340 0.106 0.000 0.230 30 R C 1.163 177.538 176.300 0.126 0.000 1.111 30 R CA 2.949 59.142 56.100 0.154 0.000 0.976 30 R CB -0.084 30.290 30.300 0.123 0.000 0.870 30 R HN 0.197 8.640 8.270 0.414 0.076 0.445 31 A N -1.929 120.994 122.820 0.171 0.000 1.851 31 A HA -0.301 4.077 4.320 0.097 0.000 0.216 31 A C 2.157 179.784 177.584 0.072 0.000 1.195 31 A CA 3.067 55.174 52.037 0.117 0.000 0.622 31 A CB -0.951 18.131 19.000 0.135 0.000 0.831 31 A HN 0.277 8.565 8.150 0.268 0.022 0.444 32 Q N -2.155 117.683 119.800 0.063 0.000 2.170 32 Q HA -0.281 4.082 4.340 0.039 0.000 0.203 32 Q C 2.429 178.457 176.000 0.046 0.000 0.976 32 Q CA 2.980 58.810 55.803 0.045 0.000 0.858 32 Q CB -0.512 28.247 28.738 0.035 0.000 0.907 32 Q HN -0.274 8.037 8.270 0.069 0.000 0.433 33 L N -0.438 120.817 121.223 0.053 0.000 2.046 33 L HA -0.283 4.084 4.340 0.045 0.000 0.208 33 L C 1.696 178.588 176.870 0.038 0.000 1.077 33 L CA 2.674 57.542 54.840 0.047 0.000 0.747 33 L CB -0.783 41.307 42.059 0.051 0.000 0.896 33 L HN -0.475 7.692 8.230 0.064 0.102 0.432 34 S N 0.230 115.953 115.700 0.038 0.000 2.348 34 S HA -0.410 4.073 4.470 0.022 0.000 0.221 34 S C 1.988 176.598 174.600 0.017 0.000 1.033 34 S CA 4.261 62.477 58.200 0.026 0.000 1.010 34 S CB -0.119 63.097 63.200 0.026 0.000 0.891 34 S HN 0.123 8.375 8.310 0.048 0.086 0.442 35 E N 1.044 121.256 120.200 0.019 0.000 2.209 35 E HA -0.321 4.029 4.350 0.000 0.000 0.196 35 E C 1.999 178.602 176.600 0.004 0.000 0.993 35 E CA 2.746 59.151 56.400 0.008 0.000 0.819 35 E CB -0.391 29.317 29.700 0.012 0.000 0.745 35 E HN -0.564 7.812 8.360 0.027 0.000 0.477 36 A N -0.163 122.668 122.820 0.017 0.000 1.865 36 A HA -0.261 4.069 4.320 0.017 0.000 0.217 36 A C 2.447 180.034 177.584 0.004 0.000 1.191 36 A CA 3.249 55.297 52.037 0.019 0.000 0.623 36 A CB -0.747 18.276 19.000 0.039 0.000 0.826 36 A HN -0.384 7.647 8.150 0.025 0.135 0.444 37 M N -2.900 116.704 119.600 0.008 0.000 2.193 37 M HA -0.209 4.272 4.480 0.001 0.000 0.265 37 M C 2.451 178.742 176.300 -0.016 0.000 1.071 37 M CA 1.507 56.808 55.300 0.001 0.000 1.140 37 M CB -1.323 31.282 32.600 0.010 0.000 1.369 37 M HN -0.545 7.754 8.290 0.015 0.000 0.423 38 T N 2.936 117.481 114.554 -0.014 0.000 2.759 38 T HA -0.382 3.952 4.350 -0.027 0.000 0.269 38 T C 2.390 177.064 174.700 -0.044 0.000 1.042 38 T CA 4.235 66.320 62.100 -0.025 0.000 1.140 38 T CB -0.122 68.736 68.868 -0.017 0.000 0.864 38 T HN 0.504 8.635 8.240 -0.005 0.106 0.455 39 L N 0.673 121.870 121.223 -0.042 0.000 2.095 39 L HA -0.212 4.090 4.340 -0.063 0.000 0.204 39 L C 0.640 177.460 176.870 -0.083 0.000 1.080 39 L CA 2.683 57.487 54.840 -0.061 0.000 0.759 39 L CB -0.493 41.532 42.059 -0.056 0.000 0.914 39 L HN 0.093 8.176 8.230 -0.029 0.129 0.439 40 A N -0.900 121.876 122.820 -0.072 0.000 1.845 40 A HA -0.380 3.882 4.320 -0.097 0.000 0.215 40 A C 2.294 179.806 177.584 -0.121 0.000 1.195 40 A CA 3.234 55.221 52.037 -0.084 0.000 0.616 40 A CB -0.933 18.040 19.000 -0.045 0.000 0.832 40 A HN -0.331 7.718 8.150 -0.052 0.069 0.443 41 S N -1.759 113.880 115.700 -0.102 0.000 2.399 41 S HA -0.362 3.998 4.470 -0.184 0.000 0.231 41 S C 2.309 176.798 174.600 -0.185 0.000 1.022 41 S CA 3.485 61.602 58.200 -0.140 0.000 0.983 41 S CB -0.153 63.003 63.200 -0.074 0.000 0.803 41 S HN 0.192 8.462 8.310 -0.066 0.000 0.480 42 G N 1.139 109.856 108.800 -0.138 0.000 2.422 42 G HA2 -0.204 3.678 3.960 -0.129 0.000 0.218 42 G HA3 -0.204 3.767 3.960 -0.105 -0.074 0.218 42 G C 1.275 176.069 174.900 -0.176 0.000 1.140 42 G CA 1.850 46.869 45.100 -0.135 0.000 0.775 42 G HN -0.372 7.752 8.290 -0.108 0.102 0.545 43 L N 1.071 122.180 121.223 -0.191 0.000 2.156 43 L HA -0.202 4.037 4.340 -0.169 0.000 0.208 43 L C 1.954 178.628 176.870 -0.326 0.000 1.095 43 L CA 2.215 56.932 54.840 -0.206 0.000 0.770 43 L CB -0.885 41.074 42.059 -0.168 0.000 0.914 43 L HN -0.238 7.759 8.230 -0.172 0.130 0.439 44 K N -0.962 119.145 120.400 -0.489 0.000 2.001 44 K HA -0.313 3.382 4.320 -1.042 0.000 0.208 44 K C 2.538 178.660 176.600 -0.797 0.000 1.048 44 K CA 3.885 59.583 56.287 -0.982 0.000 0.932 44 K CB -0.404 31.198 32.500 -1.495 0.000 0.715 44 K HN -0.603 7.288 8.250 -0.406 0.115 0.437 45 T N -0.749 113.512 114.554 -0.489 0.000 2.915 45 T HA -0.239 3.969 4.350 -0.237 0.000 0.269 45 T C 1.764 176.335 174.700 -0.214 0.000 1.071 45 T CA 2.581 64.518 62.100 -0.273 0.000 1.132 45 T CB -0.347 68.422 68.868 -0.163 0.000 0.878 45 T HN -0.375 7.602 8.240 -0.438 0.000 0.479 46 K N 1.347 121.619 120.400 -0.214 0.000 1.985 46 K HA -0.266 3.979 4.320 -0.124 0.000 0.210 46 K C 2.381 178.897 176.600 -0.140 0.000 1.047 46 K CA 3.391 59.587 56.287 -0.152 0.000 0.932 46 K CB -0.482 31.936 32.500 -0.137 0.000 0.716 46 K HN -0.227 7.673 8.250 -0.248 0.202 0.439 47 V N -0.757 119.059 119.914 -0.163 0.000 2.469 47 V HA -0.391 3.691 4.120 -0.062 0.000 0.251 47 V C 0.934 176.981 176.094 -0.079 0.000 1.064 47 V CA 2.636 64.876 62.300 -0.100 0.000 1.066 47 V CB -0.268 31.499 31.823 -0.094 0.000 0.667 47 V HN -0.336 7.724 8.190 -0.217 0.000 0.461 48 S N -2.058 113.554 115.700 -0.146 0.000 2.382 48 S HA -0.330 4.011 4.470 -0.216 0.000 0.228 48 S C 0.746 175.198 174.600 -0.245 0.000 1.027 48 S CA 3.053 61.122 58.200 -0.219 0.000 0.991 48 S CB -0.288 62.790 63.200 -0.203 0.000 0.823 48 S HN -0.599 7.473 8.310 -0.206 0.114 0.469 49 D N 0.166 120.472 120.400 -0.157 0.000 2.194 49 D HA -0.112 4.438 4.640 -0.149 0.000 0.204 49 D C 2.004 178.255 176.300 -0.081 0.000 0.964 49 D CA 2.737 56.663 54.000 -0.124 0.000 0.846 49 D CB 0.303 41.045 40.800 -0.097 0.000 0.962 49 D HN -0.601 7.555 8.370 -0.144 0.127 0.490 50 I N -0.427 120.118 120.570 -0.043 0.000 2.335 50 I HA -0.478 3.683 4.170 -0.014 0.000 0.251 50 I C 1.587 177.746 176.117 0.070 0.000 1.129 50 I CA 3.884 65.187 61.300 0.006 0.000 1.402 50 I CB 0.002 38.013 38.000 0.018 0.000 1.069 50 I HN -0.392 7.686 8.210 -0.058 0.098 0.424 51 F N -0.302 119.599 119.950 -0.082 0.000 2.530 51 F HA 0.161 4.682 4.527 -0.010 0.000 0.292 51 F C 0.127 175.900 175.800 -0.044 0.000 1.109 51 F CA 0.204 58.180 58.000 -0.040 0.000 1.450 51 F CB 1.463 40.460 39.000 -0.005 0.000 1.114 51 F HN -0.668 7.687 8.300 0.120 0.017 0.560 52 S N -0.160 115.401 115.700 -0.232 0.000 2.436 52 S HA -0.247 4.007 4.470 -0.360 0.000 0.228 52 S C 1.325 175.802 174.600 -0.205 0.000 1.014 52 S CA 2.392 60.429 58.200 -0.272 0.000 0.950 52 S CB 0.186 63.263 63.200 -0.206 0.000 0.784 52 S HN -0.540 7.587 8.310 -0.133 0.104 0.504 53 Q N 1.569 121.280 119.800 -0.148 0.000 1.927 53 Q HA -0.303 3.984 4.340 -0.089 0.000 0.210 53 Q C 1.358 177.290 176.000 -0.113 0.000 1.001 53 Q CA 2.660 58.401 55.803 -0.103 0.000 0.862 53 Q CB -0.145 28.552 28.738 -0.069 0.000 0.934 53 Q HN 0.270 8.337 8.270 -0.127 0.126 0.420 54 D N -2.139 118.190 120.400 -0.118 0.000 2.301 54 D HA 0.021 4.610 4.640 -0.083 0.000 0.206 54 D C 0.647 176.845 176.300 -0.170 0.000 0.979 54 D CA 0.532 54.469 54.000 -0.105 0.000 0.874 54 D CB 1.086 41.852 40.800 -0.057 0.000 0.968 54 D HN -0.124 8.183 8.370 -0.106 0.000 0.510 55 G N -2.212 106.390 108.800 -0.329 0.000 2.131 55 G HA2 -0.366 3.152 3.960 -0.986 0.000 0.223 55 G HA3 -0.366 3.382 3.960 -0.353 0.000 0.223 55 G C -1.427 173.210 174.900 -0.439 0.000 0.990 55 G CA 0.223 44.983 45.100 -0.566 0.000 0.671 55 G HN -0.287 7.801 8.290 -0.336 0.000 0.521 56 S N -2.019 113.597 115.700 -0.139 0.000 3.003 56 S HA 0.270 5.046 4.470 0.510 0.000 0.313 56 S C -2.295 172.476 174.600 0.284 0.000 1.230 56 S CA -1.690 56.641 58.200 0.218 0.000 0.977 56 S CB 1.774 65.039 63.200 0.108 0.000 1.340 56 S HN -0.511 7.674 8.310 -0.149 0.036 0.608 57 c N 1.982 120.697 118.600 0.192 0.000 2.439 57 c HA 0.577 5.245 4.570 0.163 0.000 0.298 57 c C -1.352 172.785 174.090 0.078 0.000 1.094 57 c CA -2.661 53.752 56.329 0.139 0.000 1.609 57 c CB -2.255 40.319 42.510 0.107 0.000 1.723 57 c HN 0.638 8.963 8.230 0.158 0.000 0.423 58 P HA 0.051 4.490 4.420 0.032 0.000 0.312 58 P C -2.100 175.216 177.300 0.027 0.000 1.308 58 P CA -0.882 62.239 63.100 0.034 0.000 0.743 58 P CB 1.207 32.919 31.700 0.020 0.000 1.364 59 A N -2.736 120.094 122.820 0.017 0.000 2.763 59 A HA 0.346 4.675 4.320 0.015 0.000 0.325 59 A C -1.132 176.456 177.584 0.006 0.000 1.209 59 A CA -0.950 51.095 52.037 0.013 0.000 0.764 59 A CB 0.593 19.601 19.000 0.013 0.000 1.120 59 A HN 0.003 8.161 8.150 0.014 0.000 0.463 60 N N 4.767 123.469 118.700 0.003 0.000 2.396 60 N HA -0.285 4.452 4.740 -0.005 0.000 0.287 60 N C -0.167 175.340 175.510 -0.004 0.000 1.316 60 N CA 1.382 54.430 53.050 -0.004 0.000 0.972 60 N CB -0.434 38.047 38.487 -0.009 0.000 1.341 60 N HN 0.216 8.600 8.380 0.006 0.000 0.487 61 T N 3.085 117.638 114.554 -0.003 0.000 3.018 61 T HA 0.065 4.415 4.350 0.000 0.000 0.246 61 T C -0.781 173.916 174.700 -0.004 0.000 1.026 61 T CA 0.140 62.240 62.100 -0.001 0.000 1.081 61 T CB 0.555 69.425 68.868 0.003 0.000 0.970 61 T HN 0.031 8.269 8.240 -0.003 0.000 0.475 62 A N 0.111 122.927 122.820 -0.007 0.000 2.610 62 A HA 0.134 4.447 4.320 -0.012 0.000 0.291 62 A C -2.267 175.310 177.584 -0.012 0.000 1.086 62 A CA -0.605 51.426 52.037 -0.009 0.000 0.677 62 A CB 1.708 20.704 19.000 -0.006 0.000 1.278 62 A HN -0.838 7.308 8.150 -0.006 0.000 0.414 63 A N 1.182 123.994 122.820 -0.014 0.000 2.618 63 A HA -0.071 4.238 4.320 -0.018 0.000 0.293 63 A C -0.525 177.051 177.584 -0.013 0.000 1.413 63 A CA 0.603 52.631 52.037 -0.016 0.000 1.074 63 A CB -1.107 17.883 19.000 -0.017 0.000 1.087 63 A HN 0.267 8.409 8.150 -0.015 0.000 0.553 64 T N 2.640 117.187 114.554 -0.013 0.000 2.937 64 T HA 0.098 4.442 4.350 -0.009 0.000 0.283 64 T C 1.252 175.945 174.700 -0.013 0.000 1.012 64 T CA -1.947 60.146 62.100 -0.011 0.000 0.997 64 T CB 1.591 70.454 68.868 -0.009 0.000 1.136 64 T HN -0.476 7.755 8.240 -0.014 0.000 0.551 65 A N 1.661 124.474 122.820 -0.011 0.000 2.015 65 A HA -0.044 4.268 4.320 -0.014 0.000 0.219 65 A C 0.878 178.453 177.584 -0.016 0.000 1.163 65 A CA 2.014 54.044 52.037 -0.013 0.000 0.646 65 A CB -0.044 18.949 19.000 -0.011 0.000 0.806 65 A HN 0.240 8.384 8.150 -0.009 0.000 0.448 66 G N -2.897 105.894 108.800 -0.015 0.000 2.450 66 G HA2 -0.217 3.732 3.960 -0.018 0.000 0.220 66 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.220 66 G C -0.358 174.528 174.900 -0.024 0.000 1.130 66 G CA 0.451 45.540 45.100 -0.017 0.000 0.760 66 G HN -0.634 7.624 8.290 -0.012 0.025 0.557 67 I N -1.438 119.119 120.570 -0.022 0.000 3.060 67 I HA -0.220 4.077 4.170 -0.031 -0.145 0.285 67 I C -0.379 175.720 176.117 -0.030 0.000 1.190 67 I CA 1.094 62.378 61.300 -0.027 0.000 1.363 67 I CB 0.682 38.667 38.000 -0.024 0.000 1.396 67 I HN -0.874 7.208 8.210 -0.019 0.117 0.607 68 E N 1.752 121.931 120.200 -0.035 0.000 2.444 68 E HA -0.043 4.288 4.350 -0.031 0.000 0.203 68 E C 0.591 177.172 176.600 -0.033 0.000 0.847 68 E CA 1.180 57.559 56.400 -0.035 0.000 1.142 68 E CB 1.116 30.791 29.700 -0.043 0.000 1.125 68 E HN 0.420 8.757 8.360 -0.038 0.000 0.521 69 K N -1.674 118.705 120.400 -0.036 0.000 2.230 69 K HA 0.175 4.476 4.320 -0.031 0.000 0.219 69 K C -0.742 175.838 176.600 -0.033 0.000 1.033 69 K CA 0.666 56.932 56.287 -0.035 0.000 0.937 69 K CB 1.033 33.509 32.500 -0.040 0.000 1.018 69 K HN -0.135 8.091 8.250 -0.040 0.000 0.463 70 D N -3.244 117.135 120.400 -0.036 0.000 2.808 70 D HA -0.001 4.620 4.640 -0.032 0.000 0.294 70 D C -1.244 175.034 176.300 -0.037 0.000 1.278 70 D CA -0.434 53.545 54.000 -0.035 0.000 0.756 70 D CB 1.018 41.796 40.800 -0.036 0.000 1.271 70 D HN -0.318 8.028 8.370 -0.039 0.000 0.425 71 T N 0.160 114.692 114.554 -0.037 0.000 2.754 71 T HA 0.079 4.410 4.350 -0.033 0.000 0.286 71 T C -0.405 174.269 174.700 -0.043 0.000 0.997 71 T CA -0.275 61.803 62.100 -0.037 0.000 0.982 71 T CB 0.818 69.664 68.868 -0.036 0.000 1.027 71 T HN 0.087 8.305 8.240 -0.037 0.000 0.529 72 D N -0.925 119.450 120.400 -0.042 0.000 2.355 72 D HA 0.130 4.739 4.640 -0.051 0.000 0.206 72 D C 0.354 176.622 176.300 -0.052 0.000 1.010 72 D CA 1.419 55.391 54.000 -0.048 0.000 0.875 72 D CB 1.105 41.879 40.800 -0.044 0.000 0.966 72 D HN 0.237 8.585 8.370 -0.036 0.000 0.512 73 I N 0.883 121.421 120.570 -0.052 0.000 2.725 73 I HA -0.366 3.977 4.170 -0.058 -0.208 0.296 73 I C -1.007 175.054 176.117 -0.092 0.000 1.155 73 I CA 1.078 62.339 61.300 -0.066 0.000 1.450 73 I CB -1.842 36.119 38.000 -0.064 0.000 1.478 73 I HN -0.447 7.736 8.210 -0.045 0.000 0.642 74 N N 6.412 125.059 118.700 -0.088 0.000 3.102 74 N HA 0.121 4.788 4.740 -0.122 0.000 0.299 74 N C -1.449 174.006 175.510 -0.093 0.000 1.482 74 N CA -1.111 51.881 53.050 -0.097 0.000 0.785 74 N CB 2.136 40.580 38.487 -0.072 0.000 1.680 74 N HN -0.330 8.007 8.380 -0.072 0.000 0.594 75 G N -3.187 105.564 108.800 -0.082 0.000 2.132 75 G HA2 -0.319 3.617 3.960 -0.041 0.000 0.228 75 G HA3 -0.319 3.617 3.960 -0.040 0.000 0.228 75 G C 0.451 175.313 174.900 -0.063 0.000 1.000 75 G CA 0.612 45.678 45.100 -0.055 0.000 0.693 75 G HN 0.389 8.630 8.290 -0.081 0.000 0.515 76 K N -2.286 118.036 120.400 -0.129 0.000 9.188 76 K HA -0.427 3.760 4.320 -0.223 0.000 0.503 76 K C -0.772 175.596 176.600 -0.386 0.000 0.367 76 K CA 2.310 58.495 56.287 -0.171 0.000 1.958 76 K CB -0.948 31.550 32.500 -0.003 0.000 0.698 76 K HN 0.184 8.348 8.250 -0.143 0.000 1.029 77 Y N -4.381 115.915 120.300 -0.006 0.000 3.256 77 Y HA -0.021 4.525 4.550 -0.007 0.000 0.220 77 Y C -1.208 174.689 175.900 -0.006 0.000 0.896 77 Y CA 0.109 58.206 58.100 -0.006 0.000 1.167 77 Y CB 1.600 40.058 38.460 -0.004 0.000 1.267 77 Y HN -0.185 8.051 8.280 0.044 0.071 0.687 78 V N -0.698 119.269 119.914 0.088 0.000 3.199 78 V HA 0.285 4.596 4.120 0.077 -0.145 0.331 78 V C -1.752 174.356 176.094 0.022 0.000 1.446 78 V CA -1.711 60.625 62.300 0.059 0.000 1.120 78 V CB 1.519 33.367 31.823 0.043 0.000 1.051 78 V HN -0.718 7.487 8.190 0.026 0.000 0.495 79 A N 0.302 123.127 122.820 0.009 0.000 2.686 79 A HA 0.356 4.867 4.320 -0.009 -0.197 0.299 79 A C -2.702 174.870 177.584 -0.019 0.000 1.151 79 A CA -0.526 51.503 52.037 -0.013 0.000 0.851 79 A CB 1.002 19.982 19.000 -0.032 0.000 1.448 79 A HN -0.766 7.392 8.150 0.014 0.000 0.404 80 K N 5.004 125.404 120.400 0.000 0.000 2.299 80 K HA 0.386 4.698 4.320 -0.013 0.000 0.268 80 K C -2.338 174.257 176.600 -0.008 0.000 1.075 80 K CA -1.006 55.282 56.287 0.002 0.000 0.936 80 K CB 1.112 33.632 32.500 0.032 0.000 1.228 80 K HN 0.683 8.815 8.250 0.009 0.124 0.454 81 V N 7.401 127.303 119.914 -0.020 0.000 2.483 81 V HA 0.675 5.044 4.120 -0.015 -0.258 0.297 81 V C -1.262 174.822 176.094 -0.018 0.000 1.027 81 V CA -1.654 60.634 62.300 -0.021 0.000 0.855 81 V CB 2.544 34.347 31.823 -0.033 0.000 0.995 81 V HN 0.024 8.198 8.190 -0.027 0.000 0.424 82 T N 6.699 121.248 114.554 -0.009 0.000 2.916 82 T HA 0.414 4.759 4.350 -0.008 0.000 0.292 82 T C -1.657 173.045 174.700 0.002 0.000 1.064 82 T CA -1.689 60.409 62.100 -0.004 0.000 1.011 82 T CB 3.003 71.872 68.868 0.001 0.000 1.152 82 T HN -0.054 8.182 8.240 -0.007 0.000 0.510 83 T N 0.333 114.892 114.554 0.009 0.000 2.874 83 T HA 0.131 4.494 4.350 0.022 0.000 0.281 83 T C -0.923 173.793 174.700 0.025 0.000 0.994 83 T CA -0.984 61.129 62.100 0.022 0.000 1.015 83 T CB 0.776 69.663 68.868 0.032 0.000 1.028 83 T HN 0.156 8.400 8.240 0.006 0.000 0.523 84 G N 0.033 108.854 108.800 0.034 0.000 2.523 84 G HA2 0.103 4.082 3.960 0.032 0.000 0.291 84 G HA3 0.103 4.076 3.960 0.023 0.000 0.291 84 G C -2.368 172.554 174.900 0.036 0.000 1.450 84 G CA -0.254 44.864 45.100 0.031 0.000 0.790 84 G HN -0.159 8.156 8.290 0.042 0.000 0.496 85 G N -0.058 108.761 108.800 0.032 0.000 2.318 85 G HA2 -0.169 3.802 3.960 0.019 0.000 0.367 85 G HA3 -0.169 3.806 3.960 0.025 0.000 0.367 85 G C -1.596 173.327 174.900 0.037 0.000 1.260 85 G CA -0.173 44.943 45.100 0.028 0.000 1.055 85 G HN -0.044 8.263 8.290 0.029 0.000 0.484 86 T N 3.158 117.733 114.554 0.035 0.000 3.262 86 T HA 0.160 4.545 4.350 0.058 0.000 0.336 86 T C -1.681 173.049 174.700 0.051 0.000 0.911 86 T CA 0.281 62.408 62.100 0.045 0.000 1.154 86 T CB 1.364 70.251 68.868 0.031 0.000 1.007 86 T HN -0.051 8.202 8.240 0.021 0.000 0.488 87 A N 5.213 128.092 122.820 0.098 0.000 2.486 87 A HA 0.443 4.804 4.320 0.067 0.000 0.277 87 A C -2.464 175.246 177.584 0.209 0.000 1.282 87 A CA -1.908 50.205 52.037 0.127 0.000 0.784 87 A CB 3.344 22.398 19.000 0.090 0.000 1.350 87 A HN -0.189 8.037 8.150 0.126 0.000 0.454 88 A N -2.024 120.966 122.820 0.284 0.000 1.346 88 A HA -0.055 4.603 4.320 0.252 -0.187 0.225 88 A C -1.063 176.661 177.584 0.233 0.000 0.958 88 A CA 0.629 52.809 52.037 0.238 0.000 0.740 88 A CB -0.048 19.026 19.000 0.124 0.000 0.733 88 A HN -0.007 8.316 8.150 0.288 0.000 0.326 89 A N 2.970 125.979 122.820 0.316 0.000 2.860 89 A HA -0.370 4.099 4.320 0.248 0.000 0.267 89 A C -1.511 176.214 177.584 0.236 0.000 1.421 89 A CA 1.402 53.585 52.037 0.243 0.000 0.831 89 A CB -0.918 18.152 19.000 0.117 0.000 1.041 89 A HN 0.551 8.917 8.150 0.360 0.000 0.623 90 S N -5.414 110.467 115.700 0.301 0.000 2.835 90 S HA 0.045 4.548 4.470 0.056 0.000 0.140 90 S C -0.788 173.714 174.600 -0.164 0.000 1.131 90 S CA -1.174 57.070 58.200 0.072 0.000 1.110 90 S CB 1.080 64.301 63.200 0.036 0.000 1.683 90 S HN -0.453 8.146 8.310 0.540 0.035 0.473 91 G N 0.367 108.815 108.800 -0.586 0.000 2.337 91 G HA2 -0.286 1.714 3.960 -3.266 0.000 0.265 91 G HA3 -0.286 3.078 3.960 -1.244 -0.151 0.265 91 G C -0.173 174.359 174.900 -0.613 0.000 0.745 91 G CA 1.099 45.298 45.100 -1.501 0.000 1.005 91 G HN -0.048 8.128 8.290 -0.189 0.000 0.323 92 G N 1.484 109.983 108.800 -0.502 0.000 5.414 92 G HA2 0.126 4.132 3.960 -0.170 0.000 0.202 92 G HA3 0.126 4.001 3.960 -0.143 0.000 0.202 92 G C -2.007 172.825 174.900 -0.114 0.000 0.727 92 G CA -0.055 44.922 45.100 -0.205 0.000 0.670 92 G HN 0.169 8.065 8.290 -0.655 0.000 0.442 93 c N 1.457 119.987 118.600 -0.116 0.000 2.330 93 c HA 0.603 5.239 4.570 0.010 -0.060 0.344 93 c C -0.086 174.003 174.090 -0.001 0.000 1.273 93 c CA -2.037 54.288 56.329 -0.008 0.000 1.879 93 c CB 0.253 42.806 42.510 0.073 0.000 2.376 93 c HN -0.185 7.915 8.230 -0.216 0.000 0.534 94 T N 3.497 118.056 114.554 0.009 0.000 2.811 94 T HA 0.352 4.865 4.350 0.008 -0.157 0.309 94 T C -1.252 173.456 174.700 0.014 0.000 1.005 94 T CA -1.691 60.415 62.100 0.010 0.000 0.955 94 T CB -0.284 68.588 68.868 0.008 0.000 0.970 94 T HN 0.446 8.605 8.240 0.014 0.089 0.496 95 I N 6.322 126.899 120.570 0.012 0.000 2.396 95 I HA 0.085 4.369 4.170 0.011 -0.108 0.292 95 I C -1.192 174.925 176.117 0.000 0.000 0.999 95 I CA -0.845 60.459 61.300 0.007 0.000 1.310 95 I CB 1.523 39.525 38.000 0.002 0.000 1.404 95 I HN -0.239 7.978 8.210 0.012 0.000 0.496 96 V N 6.115 126.029 119.914 -0.001 0.000 2.357 96 V HA 0.183 4.300 4.120 -0.004 0.000 0.284 96 V C -1.683 174.405 176.094 -0.009 0.000 1.018 96 V CA -1.077 61.222 62.300 -0.003 0.000 0.841 96 V CB 0.953 32.777 31.823 0.003 0.000 0.991 96 V HN -0.176 8.015 8.190 0.002 0.000 0.437 97 A N 8.244 131.054 122.820 -0.016 0.000 2.306 97 A HA 0.785 5.239 4.320 -0.020 -0.147 0.330 97 A C -1.226 176.349 177.584 -0.016 0.000 1.146 97 A CA -2.065 49.958 52.037 -0.023 0.000 0.827 97 A CB 3.086 22.062 19.000 -0.039 0.000 1.178 97 A HN 1.026 9.060 8.150 -0.018 0.105 0.490 98 T N 2.520 117.068 114.554 -0.011 0.000 2.916 98 T HA 0.344 4.794 4.350 -0.002 -0.101 0.298 98 T C -1.313 173.389 174.700 0.003 0.000 1.031 98 T CA -0.643 61.458 62.100 0.001 0.000 0.993 98 T CB 2.679 71.556 68.868 0.015 0.000 1.045 98 T HN 0.369 8.508 8.240 -0.013 0.094 0.454 99 M N 6.271 125.874 119.600 0.005 0.000 2.047 99 M HA 0.382 5.036 4.480 0.009 -0.169 0.342 99 M C -1.181 175.138 176.300 0.030 0.000 1.058 99 M CA -1.934 53.373 55.300 0.011 0.000 0.991 99 M CB -0.266 32.335 32.600 0.002 0.000 1.474 99 M HN 1.153 9.332 8.290 0.005 0.114 0.419 100 K N 2.892 123.319 120.400 0.046 0.000 2.288 100 K HA 0.206 4.551 4.320 0.042 0.000 0.234 100 K C 0.048 176.682 176.600 0.057 0.000 1.037 100 K CA -0.829 55.492 56.287 0.056 0.000 0.914 100 K CB 2.379 34.931 32.500 0.087 0.000 1.197 100 K HN 0.208 8.370 8.250 0.049 0.117 0.471 101 A N -0.296 122.553 122.820 0.048 0.000 1.346 101 A HA -0.310 4.025 4.320 0.026 0.000 0.342 101 A C -0.585 177.019 177.584 0.033 0.000 1.689 101 A CA 2.153 54.215 52.037 0.042 0.000 1.090 101 A CB -1.115 17.927 19.000 0.069 0.000 1.472 101 A HN 0.456 8.627 8.150 0.036 0.000 0.721 102 S N -0.913 114.810 115.700 0.037 0.000 3.813 102 S HA 0.127 4.618 4.470 0.033 0.000 0.309 102 S C -1.973 172.648 174.600 0.035 0.000 1.136 102 S CA -0.484 57.736 58.200 0.033 0.000 1.190 102 S CB 1.904 65.121 63.200 0.028 0.000 1.582 102 S HN 0.265 8.578 8.310 0.043 0.023 0.647 103 D N -1.375 119.045 120.400 0.034 0.000 2.059 103 D HA 0.135 4.790 4.640 0.024 0.000 0.066 103 D C -1.761 174.558 176.300 0.031 0.000 1.479 103 D CA 0.490 54.510 54.000 0.033 0.000 1.002 103 D CB 0.803 41.631 40.800 0.047 0.000 2.934 103 D HN 0.021 8.410 8.370 0.032 0.000 0.201 104 V N -3.766 116.172 119.914 0.041 0.000 3.121 104 V HA 0.369 4.504 4.120 0.025 0.000 0.308 104 V C -1.835 174.277 176.094 0.031 0.000 1.492 104 V CA -2.432 59.888 62.300 0.034 0.000 1.034 104 V CB 3.207 35.054 31.823 0.041 0.000 1.066 104 V HN -0.645 7.576 8.190 0.052 0.000 0.472 105 A N 1.086 123.919 122.820 0.022 0.000 2.729 105 A HA 0.054 4.377 4.320 0.005 0.000 0.291 105 A C -1.034 176.559 177.584 0.015 0.000 1.574 105 A CA 1.469 53.512 52.037 0.010 0.000 1.194 105 A CB -1.433 17.566 19.000 -0.001 0.000 1.047 105 A HN 0.208 8.370 8.150 0.020 0.000 0.578 106 T N 3.195 117.759 114.554 0.016 0.000 2.957 106 T HA 0.173 4.519 4.350 -0.007 0.000 0.336 106 T C -1.865 172.837 174.700 0.004 0.000 1.462 106 T CA -2.281 59.825 62.100 0.010 0.000 1.073 106 T CB 1.734 70.624 68.868 0.038 0.000 1.319 106 T HN -0.504 7.738 8.240 0.016 0.007 0.485 107 P HA 0.223 4.640 4.420 -0.006 0.000 0.227 107 P C 0.623 177.921 177.300 -0.003 0.000 1.161 107 P CA 0.855 63.949 63.100 -0.011 0.000 0.788 107 P CB 0.905 32.592 31.700 -0.023 0.000 0.822 108 L N -0.603 120.618 121.223 -0.004 0.000 1.950 108 L HA -0.238 4.106 4.340 0.008 0.000 0.210 108 L C -0.314 176.584 176.870 0.046 0.000 1.079 108 L CA 1.212 56.063 54.840 0.019 0.000 0.754 108 L CB 0.090 42.165 42.059 0.027 0.000 0.889 108 L HN -0.838 7.349 8.230 -0.019 0.032 0.433 109 R N -4.487 116.057 120.500 0.073 0.000 2.032 109 R HA -0.504 3.885 4.340 0.083 0.000 0.322 109 R C -0.330 176.003 176.300 0.055 0.000 1.173 109 R CA 0.549 56.689 56.100 0.066 0.000 1.133 109 R CB -2.008 28.318 30.300 0.043 0.000 3.148 109 R HN -0.117 8.210 8.270 0.095 0.000 0.502 110 G N 4.271 113.107 108.800 0.061 0.000 3.393 110 G HA2 -0.275 3.970 3.960 0.040 0.000 0.676 110 G HA3 -0.275 3.708 3.960 0.038 0.000 0.676 110 G C -2.513 172.418 174.900 0.053 0.000 1.224 110 G CA -0.364 44.763 45.100 0.046 0.000 1.109 110 G HN 0.232 8.566 8.290 0.073 0.000 0.519 111 K N 0.150 120.576 120.400 0.042 0.000 3.238 111 K HA 0.174 4.517 4.320 0.038 0.000 0.324 111 K C -2.812 173.801 176.600 0.020 0.000 1.064 111 K CA -0.672 55.639 56.287 0.040 0.000 0.782 111 K CB 1.763 34.303 32.500 0.067 0.000 1.465 111 K HN 0.238 8.508 8.250 0.033 0.000 0.412 112 T N -2.552 112.011 114.554 0.016 0.000 2.924 112 T HA 0.481 4.915 4.350 -0.001 -0.085 0.291 112 T C -1.879 172.816 174.700 -0.009 0.000 1.045 112 T CA -1.175 60.928 62.100 0.003 0.000 1.015 112 T CB 2.930 71.804 68.868 0.009 0.000 1.103 112 T HN 0.018 8.273 8.240 0.025 0.000 0.496 113 L N 3.044 124.255 121.223 -0.019 0.000 2.568 113 L HA 0.485 4.982 4.340 -0.022 -0.170 0.262 113 L C -2.144 174.713 176.870 -0.022 0.000 0.980 113 L CA 0.049 54.871 54.840 -0.030 0.000 0.882 113 L CB 3.363 45.384 42.059 -0.063 0.000 1.198 113 L HN 1.155 9.262 8.230 -0.017 0.114 0.425 114 T N 8.033 122.581 114.554 -0.010 0.000 2.874 114 T HA 0.626 5.086 4.350 -0.006 -0.114 0.281 114 T C -1.153 173.546 174.700 -0.002 0.000 0.994 114 T CA 0.439 62.537 62.100 -0.004 0.000 1.015 114 T CB 1.270 70.141 68.868 0.004 0.000 1.028 114 T HN 0.395 8.632 8.240 -0.005 0.000 0.523 115 L N -3.830 117.395 121.223 0.003 0.000 2.963 115 L HA 0.781 5.261 4.340 0.022 -0.127 0.273 115 L C -1.880 175.002 176.870 0.021 0.000 1.078 115 L CA -1.026 53.822 54.840 0.014 0.000 0.970 115 L CB 2.911 44.972 42.059 0.003 0.000 1.564 115 L HN 0.821 9.053 8.230 0.003 0.000 0.381 116 T N -2.407 112.171 114.554 0.039 0.000 2.830 116 T HA 0.493 5.079 4.350 0.020 -0.224 0.322 116 T C -2.128 172.612 174.700 0.067 0.000 1.501 116 T CA -0.285 61.835 62.100 0.034 0.000 1.036 116 T CB 3.332 72.212 68.868 0.019 0.000 1.379 116 T HN -0.575 7.625 8.240 0.059 0.075 0.493 117 L N 2.050 123.290 121.223 0.028 0.000 2.334 117 L HA 0.750 5.337 4.340 0.183 -0.137 0.275 117 L C -0.926 175.935 176.870 -0.014 0.000 1.036 117 L CA -1.958 52.915 54.840 0.055 0.000 0.807 117 L CB 3.705 45.754 42.059 -0.017 0.000 1.231 117 L HN -0.003 8.218 8.230 -0.015 0.000 0.438 118 G N 0.595 109.422 108.800 0.044 0.000 2.599 118 G HA2 0.062 3.995 3.960 -0.045 0.000 0.264 118 G HA3 0.062 4.065 3.960 -0.024 -0.057 0.264 118 G C -0.697 174.146 174.900 -0.096 0.000 1.200 118 G CA -1.318 43.765 45.100 -0.029 0.000 0.896 118 G HN 0.715 9.019 8.290 0.160 0.082 0.536 119 N N -1.035 117.604 118.700 -0.101 0.000 3.254 119 N HA -0.181 4.495 4.740 -0.171 -0.038 0.308 119 N C -1.417 174.040 175.510 -0.087 0.000 1.281 119 N CA -0.248 52.736 53.050 -0.111 0.000 1.212 119 N CB -1.979 36.461 38.487 -0.078 0.000 1.478 119 N HN 0.246 8.577 8.380 -0.082 0.000 0.548 120 A N 1.575 124.340 122.820 -0.093 0.000 2.978 120 A HA 0.275 4.509 4.320 -0.144 0.000 0.341 120 A C -1.042 176.381 177.584 -0.268 0.000 1.105 120 A CA -1.410 50.514 52.037 -0.187 0.000 0.819 120 A CB 0.647 19.483 19.000 -0.273 0.000 1.080 120 A HN -0.360 7.673 8.150 -0.065 0.079 0.476 121 D N 0.182 120.590 120.400 0.014 0.000 2.269 121 D HA -0.215 4.808 4.640 0.638 0.000 0.208 121 D C -0.236 176.056 176.300 -0.013 0.000 0.963 121 D CA 1.715 55.855 54.000 0.232 0.000 0.864 121 D CB 0.449 41.429 40.800 0.300 0.000 0.936 121 D HN 0.078 8.464 8.370 0.027 0.000 0.505 122 K N -1.002 119.321 120.400 -0.129 0.000 3.218 122 K HA 0.151 4.400 4.320 -0.118 0.000 0.187 122 K C -1.393 175.127 176.600 -0.133 0.000 1.186 122 K CA -0.012 56.209 56.287 -0.110 0.000 0.827 122 K CB -1.125 31.359 32.500 -0.026 0.000 1.083 122 K HN -0.540 7.601 8.250 -0.131 0.031 0.583 123 G N 0.113 108.780 108.800 -0.223 0.000 4.259 123 G HA2 -0.011 3.887 3.960 -0.103 0.000 0.193 123 G HA3 -0.011 3.864 3.960 -0.141 0.000 0.193 123 G C -1.439 173.355 174.900 -0.176 0.000 1.373 123 G CA 1.433 46.438 45.100 -0.158 0.000 1.011 123 G HN 0.141 8.202 8.290 -0.381 0.000 0.408 124 S N -0.000 115.539 115.700 -0.269 0.000 2.240 124 S HA -0.018 4.380 4.470 -0.120 0.000 0.234 124 S C -1.419 173.064 174.600 -0.195 0.000 0.850 124 S CA 0.410 58.497 58.200 -0.188 0.000 1.015 124 S CB 0.390 63.517 63.200 -0.122 0.000 1.268 124 S HN -0.526 7.577 8.310 -0.344 0.000 0.384 125 Y N 4.880 125.214 120.300 0.055 0.000 2.810 125 Y HA -0.144 4.439 4.550 0.056 0.000 0.332 125 Y C -0.352 175.490 175.900 -0.097 0.000 1.243 125 Y CA 0.526 58.677 58.100 0.085 0.000 1.537 125 Y CB 0.547 39.169 38.460 0.270 0.000 1.265 125 Y HN 0.046 8.215 8.280 -0.186 0.000 0.572 126 T N 2.333 116.886 114.554 -0.001 0.000 2.943 126 T HA 0.128 4.088 4.350 -0.649 0.000 0.284 126 T C -1.456 173.231 174.700 -0.022 0.000 1.015 126 T CA -1.165 60.773 62.100 -0.269 0.000 1.042 126 T CB 1.468 70.237 68.868 -0.165 0.000 1.055 126 T HN -0.040 8.249 8.240 0.082 0.000 0.500 127 W N 0.555 121.873 121.300 0.029 0.000 2.600 127 W HA 0.506 5.319 4.660 0.012 -0.146 0.325 127 W C -0.619 175.901 176.519 0.001 0.000 1.034 127 W CA -2.450 54.904 57.345 0.015 0.000 1.226 127 W CB 1.607 31.077 29.460 0.016 0.000 1.379 127 W HN 0.212 8.160 8.180 -0.386 0.000 0.466 128 A N 5.767 128.706 122.820 0.200 0.000 2.664 128 A HA 0.376 4.757 4.320 0.100 0.000 0.338 128 A C -1.391 176.247 177.584 0.089 0.000 1.280 128 A CA -1.216 50.886 52.037 0.107 0.000 0.809 128 A CB -0.200 18.834 19.000 0.056 0.000 1.114 128 A HN 0.919 9.082 8.150 0.203 0.108 0.479 129 c N 1.478 120.135 118.600 0.094 0.000 2.500 129 c HA 0.054 4.648 4.570 0.039 0.000 0.367 129 c C -0.450 173.661 174.090 0.036 0.000 1.283 129 c CA -0.974 55.387 56.329 0.053 0.000 2.456 129 c CB 1.190 43.726 42.510 0.043 0.000 2.457 129 c HN -0.158 8.145 8.230 0.123 0.000 0.632 130 T N 1.899 116.464 114.554 0.018 0.000 3.798 130 T HA 0.130 4.494 4.350 0.022 0.000 0.339 130 T C -2.015 172.689 174.700 0.006 0.000 0.967 130 T CA -0.131 61.979 62.100 0.016 0.000 1.046 130 T CB 2.385 71.263 68.868 0.017 0.000 1.092 130 T HN 0.768 9.013 8.240 0.008 0.000 0.465 131 S N 3.909 119.614 115.700 0.009 0.000 2.565 131 S HA -0.018 4.442 4.470 -0.017 0.000 0.276 131 S C -0.597 174.014 174.600 0.019 0.000 1.326 131 S CA -0.476 57.727 58.200 0.005 0.000 1.045 131 S CB 1.050 64.261 63.200 0.019 0.000 0.918 131 S HN 0.211 8.532 8.310 0.018 0.000 0.505 132 N N 6.224 124.934 118.700 0.017 0.000 2.806 132 N HA 0.236 4.992 4.740 0.026 0.000 0.315 132 N C -2.039 173.495 175.510 0.039 0.000 1.738 132 N CA -0.961 52.104 53.050 0.024 0.000 0.993 132 N CB 0.732 39.228 38.487 0.015 0.000 1.324 132 N HN 0.343 8.654 8.380 0.004 0.072 0.493 133 A N -0.504 122.352 122.820 0.060 0.000 2.726 133 A HA 0.346 4.708 4.320 0.070 0.000 0.248 133 A C -2.494 175.130 177.584 0.068 0.000 1.249 133 A CA -0.959 51.128 52.037 0.084 0.000 0.846 133 A CB 2.049 21.145 19.000 0.161 0.000 1.391 133 A HN -0.879 7.252 8.150 0.061 0.056 0.497 134 D N -0.680 119.759 120.400 0.065 0.000 2.706 134 D HA 0.086 4.746 4.640 0.033 0.000 0.236 134 D C -0.108 176.214 176.300 0.036 0.000 1.231 134 D CA -0.135 53.888 54.000 0.038 0.000 0.828 134 D CB -0.467 40.345 40.800 0.021 0.000 1.015 134 D HN 0.208 8.625 8.370 0.079 0.000 0.484 135 N N -2.365 116.371 118.700 0.061 0.000 2.735 135 N HA -0.352 4.438 4.740 0.084 0.000 0.248 135 N C -1.096 174.433 175.510 0.031 0.000 1.083 135 N CA 0.996 54.081 53.050 0.058 0.000 0.703 135 N CB -0.602 37.905 38.487 0.034 0.000 1.005 135 N HN 0.177 8.504 8.380 0.079 0.100 0.550 136 K N -1.699 118.711 120.400 0.017 0.000 2.675 136 K HA 0.078 4.325 4.320 -0.121 0.000 0.213 136 K C -1.516 174.859 176.600 -0.375 0.000 1.074 136 K CA -0.297 55.901 56.287 -0.148 0.000 1.172 136 K CB -1.114 31.269 32.500 -0.196 0.000 0.927 136 K HN 0.040 8.324 8.250 0.082 0.015 0.471 137 Y N -0.926 119.378 120.300 0.007 0.000 2.401 137 Y HA 0.007 4.562 4.550 0.007 0.000 0.330 137 Y C -0.710 175.196 175.900 0.010 0.000 1.071 137 Y CA -1.491 56.614 58.100 0.008 0.000 1.049 137 Y CB 2.692 41.157 38.460 0.008 0.000 1.239 137 Y HN -0.592 7.651 8.280 0.102 0.098 0.437 138 L N 2.472 123.795 121.223 0.167 0.000 2.483 138 L HA 0.191 4.574 4.340 0.072 0.000 0.277 138 L C -1.685 175.249 176.870 0.107 0.000 1.248 138 L CA -1.780 53.122 54.840 0.104 0.000 0.825 138 L CB -1.576 40.531 42.059 0.080 0.000 1.096 138 L HN -0.082 8.246 8.230 0.163 0.000 0.512 139 P HA 0.133 4.593 4.420 0.067 0.000 0.282 139 P C -1.495 175.841 177.300 0.059 0.000 1.249 139 P CA -0.405 62.733 63.100 0.063 0.000 0.806 139 P CB 0.949 32.679 31.700 0.050 0.000 0.984 140 K N 2.852 123.287 120.400 0.058 0.000 2.790 140 K HA 0.331 4.687 4.320 0.060 0.000 0.253 140 K C 0.221 176.867 176.600 0.077 0.000 1.082 140 K CA 0.403 56.727 56.287 0.061 0.000 1.067 140 K CB -0.040 32.492 32.500 0.054 0.000 1.284 140 K HN 0.274 8.558 8.250 0.057 0.000 0.529 141 T N -0.603 113.997 114.554 0.077 0.000 13.132 141 T HA -0.577 3.815 4.350 0.070 0.000 0.419 141 T C 0.293 175.043 174.700 0.084 0.000 1.442 141 T CA 2.791 64.945 62.100 0.091 0.000 2.366 141 T CB -0.818 68.144 68.868 0.155 0.000 2.813 141 T HN 0.208 8.486 8.240 0.063 0.000 0.650 142 c N 3.210 121.868 118.600 0.096 0.000 2.705 142 c HA -0.026 4.592 4.570 0.080 0.000 0.311 142 c C -0.531 173.592 174.090 0.056 0.000 1.576 142 c CA 0.138 56.516 56.329 0.081 0.000 2.161 142 c CB 0.344 42.907 42.510 0.087 0.000 2.032 142 c HN 0.045 8.277 8.230 0.106 0.062 0.616 143 Q N -0.851 118.977 119.800 0.047 0.000 2.207 143 Q HA 0.609 4.973 4.340 0.040 0.000 0.237 143 Q C -0.405 175.618 176.000 0.038 0.000 0.998 143 Q CA -1.526 54.300 55.803 0.039 0.000 0.951 143 Q CB 2.295 31.052 28.738 0.032 0.000 1.213 143 Q HN 0.227 8.526 8.270 0.048 0.000 0.499 144 T N -4.542 110.036 114.554 0.040 0.000 3.293 144 T HA 0.303 4.763 4.350 0.039 -0.087 0.320 144 T C -0.586 174.140 174.700 0.043 0.000 0.995 144 T CA -1.216 60.911 62.100 0.046 0.000 1.041 144 T CB 1.382 70.290 68.868 0.068 0.000 1.058 144 T HN -0.177 8.086 8.240 0.038 0.000 0.453 145 A N 7.315 130.157 122.820 0.038 0.000 1.260 145 A HA -0.443 3.974 4.320 0.030 -0.078 0.276 145 A C -0.655 176.944 177.584 0.026 0.000 1.132 145 A CA 2.207 54.264 52.037 0.033 0.000 1.094 145 A CB -1.599 17.423 19.000 0.038 0.000 1.471 145 A HN 0.478 8.649 8.150 0.035 0.000 0.723 146 T N -0.387 114.182 114.554 0.026 0.000 2.897 146 T HA 0.194 4.555 4.350 0.018 0.000 0.278 146 T C -1.643 173.070 174.700 0.021 0.000 0.981 146 T CA -0.494 61.619 62.100 0.021 0.000 0.973 146 T CB 1.359 70.238 68.868 0.019 0.000 1.092 146 T HN 0.006 8.216 8.240 0.030 0.049 0.543 147 T N 0.016 114.580 114.554 0.017 0.000 3.706 147 T HA 0.242 4.768 4.350 0.018 -0.165 0.292 147 T C -1.112 173.595 174.700 0.012 0.000 0.693 147 T CA 0.085 62.195 62.100 0.016 0.000 1.126 147 T CB 0.246 69.124 68.868 0.016 0.000 1.043 147 T HN 0.096 8.345 8.240 0.015 0.000 0.501 148 T N 5.576 120.137 114.554 0.012 0.000 3.705 148 T HA 0.180 4.534 4.350 0.008 0.000 0.267 148 T C -0.886 173.819 174.700 0.009 0.000 0.954 148 T CA 0.895 63.000 62.100 0.009 0.000 1.149 148 T CB 0.690 69.562 68.868 0.008 0.000 1.118 148 T HN 0.334 8.583 8.240 0.014 0.000 0.414 149 T N 2.796 117.356 114.554 0.010 0.000 3.155 149 T HA 0.437 4.792 4.350 0.008 0.000 0.384 149 T C -2.261 172.446 174.700 0.012 0.000 1.351 149 T CA -1.636 60.469 62.100 0.009 0.000 1.198 149 T CB 1.159 70.031 68.868 0.008 0.000 1.106 149 T HN -0.312 7.934 8.240 0.011 0.000 0.564 150 P HA 0.000 4.431 4.420 0.019 0.000 0.216 150 P CA 0.000 63.110 63.100 0.017 0.000 0.800 150 P CB 0.000 31.711 31.700 0.019 0.000 0.726