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 1fje_1_B DATA FIRST_RESID 1 DATA SEQUENCE GSHMVEGSES TTPFNLFIGN LNPNKSVAEL KVAISELFAK NDLAVVDVRT DATA SEQUENCE GTNRKFGYVD FESAEDLEKA LELTGLKVFG NEIKLEKPKG RDSKKVRAAR DATA SEQUENCE TLLAKNLSFN ITEDELKEVF EDALEIRLVS QDGKSKGIAY IEFKSEADAE DATA SEQUENCE KNLEEKQGAE IDGRSVSLYY TGEKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.798 3.960 -0.270 0.000 0.244 1 G C 0.000 174.658 174.900 -0.404 0.000 0.946 1 G CA 0.000 44.894 45.100 -0.343 0.000 0.502 2 S N 2.084 117.422 115.700 -0.602 0.000 2.489 2 S HA 0.076 4.431 4.470 -0.191 0.000 0.237 2 S C -1.196 173.290 174.600 -0.191 0.000 1.220 2 S CA -0.228 57.787 58.200 -0.308 0.000 1.231 2 S CB 0.251 63.353 63.200 -0.165 0.000 0.900 2 S HN 0.084 7.884 8.310 -0.849 0.000 0.492 3 H N 0.813 119.871 119.070 -0.021 0.000 2.469 3 H HA 0.287 4.834 4.556 -0.016 0.000 0.342 3 H C -0.837 174.479 175.328 -0.021 0.000 1.115 3 H CA -0.706 55.331 56.048 -0.018 0.000 1.204 3 H CB 0.737 30.489 29.762 -0.016 0.000 1.492 3 H HN -0.317 7.702 8.280 -0.320 0.069 0.499 4 M N 1.976 121.642 119.600 0.109 0.000 2.761 4 M HA 0.265 4.764 4.480 0.032 0.000 0.305 4 M C -1.528 174.791 176.300 0.031 0.000 1.235 4 M CA -0.394 54.933 55.300 0.045 0.000 0.850 4 M CB 2.127 34.742 32.600 0.024 0.000 1.744 4 M HN 0.253 8.612 8.290 0.115 0.000 0.480 5 V N -2.824 117.098 119.914 0.013 0.000 3.087 5 V HA 0.422 4.546 4.120 0.006 0.000 0.311 5 V C -0.798 175.295 176.094 -0.001 0.000 1.333 5 V CA -1.808 60.496 62.300 0.006 0.000 1.054 5 V CB 1.779 33.605 31.823 0.006 0.000 1.123 5 V HN 0.146 8.340 8.190 0.007 0.000 0.473 6 E N -0.942 119.256 120.200 -0.003 0.000 2.450 6 E HA 0.238 4.584 4.350 -0.006 0.000 0.248 6 E C 0.344 176.939 176.600 -0.009 0.000 0.930 6 E CA -1.088 55.309 56.400 -0.006 0.000 0.854 6 E CB 1.097 30.794 29.700 -0.004 0.000 1.355 6 E HN -0.018 8.341 8.360 -0.002 0.000 0.402 7 G N -0.873 107.922 108.800 -0.010 0.000 2.399 7 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.216 7 G HA3 -0.206 3.745 3.960 -0.016 0.000 0.216 7 G C -0.656 174.235 174.900 -0.015 0.000 1.096 7 G CA 0.506 45.598 45.100 -0.014 0.000 0.650 7 G HN 0.494 8.779 8.290 -0.008 0.000 0.512 8 S N -0.027 115.663 115.700 -0.015 0.000 7.281 8 S HA -0.091 4.371 4.470 -0.013 0.000 0.048 8 S C -1.184 173.405 174.600 -0.018 0.000 1.495 8 S CA 0.316 58.507 58.200 -0.016 0.000 1.013 8 S CB -0.476 62.714 63.200 -0.017 0.000 1.073 8 S HN 0.022 8.235 8.310 -0.014 0.088 0.541 9 E N 0.792 120.979 120.200 -0.022 0.000 3.279 9 E HA 0.285 4.618 4.350 -0.028 0.000 0.132 9 E C -1.589 174.989 176.600 -0.037 0.000 0.907 9 E CA 0.425 56.807 56.400 -0.030 0.000 1.491 9 E CB -0.023 29.657 29.700 -0.032 0.000 1.021 9 E HN 0.352 8.698 8.360 -0.022 0.000 0.390 10 S N -1.462 114.220 115.700 -0.030 0.000 2.632 10 S HA 0.293 4.736 4.470 -0.044 0.000 0.289 10 S C -0.493 174.094 174.600 -0.022 0.000 1.115 10 S CA -1.210 56.971 58.200 -0.031 0.000 0.889 10 S CB 2.207 65.393 63.200 -0.023 0.000 1.116 10 S HN -0.505 7.791 8.310 -0.024 0.000 0.486 11 T N 0.679 115.221 114.554 -0.021 0.000 3.051 11 T HA 0.072 4.420 4.350 -0.002 0.000 0.255 11 T C -0.628 174.077 174.700 0.008 0.000 1.085 11 T CA 0.703 62.799 62.100 -0.006 0.000 1.109 11 T CB 0.068 68.929 68.868 -0.011 0.000 0.921 11 T HN 0.381 8.604 8.240 -0.028 0.000 0.488 12 T N -1.019 113.540 114.554 0.009 0.000 2.787 12 T HA 0.382 4.755 4.350 0.039 0.000 0.297 12 T C -2.189 172.508 174.700 -0.006 0.000 1.221 12 T CA -3.188 58.933 62.100 0.036 0.000 1.006 12 T CB 0.336 69.257 68.868 0.089 0.000 1.328 12 T HN -0.922 7.284 8.240 -0.004 0.032 0.509 13 P HA 0.058 4.348 4.420 -0.216 0.000 0.224 13 P C -1.183 175.859 177.300 -0.431 0.000 1.157 13 P CA 1.194 64.123 63.100 -0.286 0.000 0.799 13 P CB 0.542 31.981 31.700 -0.437 0.000 0.809 14 F N -0.681 119.340 119.950 0.117 0.000 2.361 14 F HA 0.132 4.773 4.527 0.191 0.000 0.364 14 F C -1.665 174.199 175.800 0.107 0.000 1.117 14 F CA -0.700 57.421 58.000 0.201 0.000 1.071 14 F CB 0.790 39.992 39.000 0.336 0.000 1.188 14 F HN -0.723 7.733 8.300 0.259 0.000 0.464 15 N N 2.713 121.535 118.700 0.204 0.000 2.966 15 N HA 0.709 5.436 4.740 -0.209 -0.113 0.314 15 N C -1.719 173.861 175.510 0.115 0.000 1.397 15 N CA -0.925 52.141 53.050 0.026 0.000 0.776 15 N CB 3.969 42.505 38.487 0.081 0.000 1.576 15 N HN 0.093 8.605 8.380 0.221 0.000 0.592 16 L N -3.237 118.026 121.223 0.066 0.000 2.947 16 L HA 0.160 4.599 4.340 0.164 0.000 0.267 16 L C -2.878 173.950 176.870 -0.070 0.000 1.004 16 L CA 0.181 55.087 54.840 0.110 0.000 0.937 16 L CB 4.773 46.993 42.059 0.268 0.000 1.496 16 L HN 0.005 8.269 8.230 0.057 0.000 0.409 17 F N 2.013 121.795 119.950 -0.279 0.000 2.507 17 F HA 0.659 4.640 4.527 -1.076 -0.100 0.327 17 F C -2.561 173.116 175.800 -0.206 0.000 1.068 17 F CA -2.804 54.855 58.000 -0.569 0.000 0.965 17 F CB 3.516 42.197 39.000 -0.532 0.000 1.192 17 F HN 0.042 8.388 8.300 0.077 0.000 0.476 18 I N 0.790 120.818 120.570 -0.904 0.000 3.042 18 I HA 0.815 4.627 4.170 -0.926 -0.198 0.310 18 I C -1.472 174.307 176.117 -0.563 0.000 1.117 18 I CA -2.254 58.562 61.300 -0.807 0.000 1.003 18 I CB 5.445 43.288 38.000 -0.262 0.000 1.228 18 I HN 0.828 8.784 8.210 -0.251 0.104 0.443 19 G N -1.001 107.621 108.800 -0.297 0.000 2.680 19 G HA2 0.474 4.654 3.960 0.367 0.000 0.290 19 G HA3 0.474 4.494 3.960 0.100 0.000 0.290 19 G C -1.757 173.186 174.900 0.071 0.000 1.355 19 G CA -1.232 43.920 45.100 0.086 0.000 0.903 19 G HN 0.054 8.130 8.290 -0.317 0.024 0.474 20 N N -1.045 117.733 118.700 0.131 0.000 2.663 20 N HA -0.405 4.395 4.740 0.092 -0.005 0.263 20 N C -0.861 174.689 175.510 0.067 0.000 1.109 20 N CA 0.454 53.554 53.050 0.084 0.000 0.701 20 N CB -0.875 37.642 38.487 0.050 0.000 0.879 20 N HN 0.055 8.557 8.380 0.204 0.000 0.550 21 L N 0.727 121.994 121.223 0.072 0.000 2.038 21 L HA -0.091 4.274 4.340 0.042 0.000 0.205 21 L C 0.356 177.252 176.870 0.043 0.000 1.151 21 L CA 2.289 57.155 54.840 0.042 0.000 0.799 21 L CB 0.900 42.964 42.059 0.009 0.000 0.926 21 L HN 0.245 8.400 8.230 0.099 0.134 0.457 22 N N -3.603 115.110 118.700 0.022 0.000 4.101 22 N HA 0.146 4.904 4.740 0.030 0.000 0.182 22 N C -2.299 173.201 175.510 -0.016 0.000 1.306 22 N CA -0.416 52.641 53.050 0.012 0.000 0.883 22 N CB 0.859 39.351 38.487 0.009 0.000 1.686 22 N HN 0.219 8.466 8.380 0.012 0.140 0.801 23 P HA 0.088 4.657 4.420 -0.015 -0.158 0.234 23 P C -0.898 176.388 177.300 -0.024 0.000 1.167 23 P CA 0.874 63.969 63.100 -0.009 0.000 0.763 23 P CB 0.154 31.860 31.700 0.010 0.000 0.835 24 N N -1.878 116.804 118.700 -0.030 0.000 2.389 24 N HA 0.084 4.801 4.740 -0.038 0.000 0.260 24 N C -1.028 174.429 175.510 -0.087 0.000 1.191 24 N CA 0.310 53.336 53.050 -0.041 0.000 0.885 24 N CB 0.771 39.248 38.487 -0.016 0.000 1.162 24 N HN -0.324 8.160 8.380 -0.022 -0.117 0.512 25 K N -1.662 118.662 120.400 -0.127 0.000 1.998 25 K HA 0.201 4.366 4.320 -0.257 0.000 0.250 25 K C -2.238 174.236 176.600 -0.211 0.000 0.935 25 K CA -1.770 54.372 56.287 -0.241 0.000 0.795 25 K CB 3.281 35.567 32.500 -0.357 0.000 1.581 25 K HN -0.752 7.365 8.250 -0.099 0.073 0.493 26 S N -0.368 115.168 115.700 -0.273 0.000 2.664 26 S HA 0.217 4.605 4.470 -0.136 0.000 0.304 26 S C 0.298 174.811 174.600 -0.145 0.000 1.099 26 S CA -0.837 57.255 58.200 -0.179 0.000 1.003 26 S CB 2.159 65.253 63.200 -0.177 0.000 1.092 26 S HN 0.063 8.119 8.310 -0.423 0.000 0.525 27 V N 2.610 122.461 119.914 -0.104 0.000 2.283 27 V HA -0.400 3.669 4.120 -0.086 0.000 0.243 27 V C 1.448 177.502 176.094 -0.067 0.000 1.039 27 V CA 3.893 66.142 62.300 -0.084 0.000 1.016 27 V CB -0.138 31.638 31.823 -0.079 0.000 0.650 27 V HN 0.339 8.472 8.190 -0.095 0.000 0.449 28 A N -1.020 121.763 122.820 -0.060 0.000 1.978 28 A HA -0.322 3.979 4.320 -0.031 0.000 0.220 28 A C 1.481 179.059 177.584 -0.009 0.000 1.170 28 A CA 3.381 55.398 52.037 -0.034 0.000 0.636 28 A CB -1.385 17.597 19.000 -0.030 0.000 0.810 28 A HN 0.430 8.540 8.150 -0.067 0.000 0.448 29 E N -2.668 117.503 120.200 -0.049 0.000 2.110 29 E HA -0.328 4.108 4.350 0.143 0.000 0.193 29 E C 2.346 179.020 176.600 0.123 0.000 0.988 29 E CA 3.341 59.732 56.400 -0.014 0.000 0.804 29 E CB -0.454 28.986 29.700 -0.433 0.000 0.745 29 E HN 0.531 8.729 8.360 -0.098 0.103 0.458 30 L N -1.269 119.969 121.223 0.025 0.000 2.027 30 L HA -0.318 4.113 4.340 0.151 0.000 0.206 30 L C 2.198 179.100 176.870 0.053 0.000 1.074 30 L CA 3.427 58.308 54.840 0.070 0.000 0.745 30 L CB -0.274 41.783 42.059 -0.003 0.000 0.898 30 L HN -0.459 7.630 8.230 -0.047 0.113 0.433 31 K N -1.356 119.050 120.400 0.009 0.000 2.148 31 K HA -0.300 3.987 4.320 -0.055 0.000 0.204 31 K C 2.675 179.270 176.600 -0.008 0.000 1.050 31 K CA 3.595 59.866 56.287 -0.026 0.000 0.942 31 K CB -0.153 32.322 32.500 -0.041 0.000 0.724 31 K HN -0.419 7.829 8.250 -0.004 0.000 0.446 32 V N 0.192 120.133 119.914 0.044 0.000 2.427 32 V HA -0.507 3.632 4.120 0.031 0.000 0.248 32 V C 1.303 177.441 176.094 0.074 0.000 1.051 32 V CA 4.464 66.802 62.300 0.063 0.000 1.048 32 V CB -0.237 31.651 31.823 0.108 0.000 0.666 32 V HN 0.330 8.434 8.190 0.059 0.121 0.456 33 A N 0.431 123.323 122.820 0.119 0.000 1.902 33 A HA -0.248 4.079 4.320 0.011 0.000 0.217 33 A C 2.048 179.673 177.584 0.068 0.000 1.181 33 A CA 3.163 55.243 52.037 0.073 0.000 0.623 33 A CB -0.566 18.515 19.000 0.134 0.000 0.818 33 A HN -0.248 8.009 8.150 0.177 0.000 0.443 34 I N -3.818 116.777 120.570 0.040 0.000 2.617 34 I HA -0.436 3.829 4.170 0.157 0.000 0.256 34 I C 1.788 177.846 176.117 -0.097 0.000 1.167 34 I CA 3.415 64.711 61.300 -0.007 0.000 1.469 34 I CB -0.015 37.900 38.000 -0.141 0.000 1.098 34 I HN -0.421 7.805 8.210 0.033 0.004 0.436 35 S N 0.046 115.705 115.700 -0.069 0.000 2.414 35 S HA -0.266 4.138 4.470 -0.110 0.000 0.227 35 S C 2.080 176.737 174.600 0.094 0.000 1.022 35 S CA 3.310 61.492 58.200 -0.031 0.000 0.958 35 S CB -0.123 63.062 63.200 -0.025 0.000 0.797 35 S HN 0.145 8.198 8.310 -0.036 0.235 0.493 36 E N 2.276 122.528 120.200 0.087 0.000 2.076 36 E HA -0.235 4.159 4.350 0.072 0.000 0.190 36 E C 2.064 178.738 176.600 0.123 0.000 0.979 36 E CA 2.615 59.065 56.400 0.083 0.000 0.807 36 E CB 0.204 29.926 29.700 0.038 0.000 0.761 36 E HN 0.115 8.408 8.360 0.064 0.106 0.454 37 L N -0.744 120.584 121.223 0.176 0.000 2.141 37 L HA -0.310 4.082 4.340 0.085 0.000 0.209 37 L C 1.860 178.867 176.870 0.228 0.000 1.094 37 L CA 3.214 58.165 54.840 0.184 0.000 0.763 37 L CB 0.114 42.308 42.059 0.226 0.000 0.908 37 L HN -0.231 8.101 8.230 0.170 0.000 0.437 38 F N -1.947 118.012 119.950 0.015 0.000 2.367 38 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 38 F C 1.247 177.051 175.800 0.008 0.000 1.094 38 F CA 2.818 60.828 58.000 0.016 0.000 1.409 38 F CB -0.994 38.040 39.000 0.057 0.000 1.064 38 F HN -0.501 8.067 8.300 0.634 0.112 0.528 39 A N -0.349 122.589 122.820 0.196 0.000 1.969 39 A HA -0.267 4.112 4.320 0.099 0.000 0.218 39 A C 1.501 179.112 177.584 0.046 0.000 1.169 39 A CA 2.887 54.984 52.037 0.100 0.000 0.635 39 A CB -0.843 18.207 19.000 0.082 0.000 0.810 39 A HN -0.326 7.820 8.150 0.224 0.139 0.445 40 K N -3.768 116.653 120.400 0.033 0.000 2.211 40 K HA -0.135 4.183 4.320 -0.004 0.000 0.201 40 K C 1.698 178.274 176.600 -0.040 0.000 1.052 40 K CA 1.717 58.002 56.287 -0.004 0.000 0.973 40 K CB 0.140 32.637 32.500 -0.004 0.000 0.766 40 K HN -0.522 7.654 8.250 0.060 0.111 0.466 41 N N -1.663 116.994 118.700 -0.071 0.000 2.331 41 N HA -0.162 4.498 4.740 -0.133 0.000 0.180 41 N C -0.621 174.812 175.510 -0.128 0.000 1.019 41 N CA 1.878 54.839 53.050 -0.148 0.000 0.881 41 N CB 0.830 39.134 38.487 -0.306 0.000 0.972 41 N HN -0.361 7.804 8.380 -0.045 0.189 0.435 42 D N -6.497 113.855 120.400 -0.080 0.000 3.055 42 D HA -0.358 4.268 4.640 -0.023 0.000 0.211 42 D C -1.479 174.786 176.300 -0.059 0.000 1.062 42 D CA 0.803 54.770 54.000 -0.054 0.000 0.848 42 D CB -2.583 38.176 40.800 -0.068 0.000 1.072 42 D HN -0.076 8.241 8.370 -0.048 0.024 0.446 43 L N -1.749 119.452 121.223 -0.035 0.000 2.926 43 L HA 0.055 4.359 4.340 -0.060 0.000 0.183 43 L C -0.445 176.502 176.870 0.130 0.000 1.766 43 L CA -0.441 54.409 54.840 0.017 0.000 2.062 43 L CB 1.608 43.676 42.059 0.015 0.000 2.755 43 L HN 0.159 8.274 8.230 -0.015 0.106 0.584 44 A N -2.325 120.644 122.820 0.248 0.000 3.134 44 A HA 0.199 4.618 4.320 0.165 0.000 0.237 44 A C -1.307 176.431 177.584 0.255 0.000 1.233 44 A CA -0.481 51.676 52.037 0.200 0.000 1.112 44 A CB -0.450 18.627 19.000 0.127 0.000 1.365 44 A HN -0.030 8.351 8.150 0.385 0.000 0.796 45 V N -1.374 118.710 119.914 0.282 0.000 2.506 45 V HA -0.169 4.254 4.120 0.285 -0.132 0.296 45 V C -0.272 175.865 176.094 0.072 0.000 1.004 45 V CA 0.867 63.261 62.300 0.157 0.000 1.150 45 V CB -0.523 31.254 31.823 -0.077 0.000 0.911 45 V HN -0.249 8.134 8.190 0.322 0.000 0.476 46 V N 6.186 126.136 119.914 0.061 0.000 2.649 46 V HA -0.028 4.122 4.120 0.051 0.000 0.248 46 V C 0.191 176.274 176.094 -0.017 0.000 1.054 46 V CA 0.924 63.245 62.300 0.036 0.000 1.073 46 V CB 0.178 32.038 31.823 0.062 0.000 0.699 46 V HN 0.594 8.731 8.190 0.080 0.101 0.463 47 D N -3.005 117.351 120.400 -0.074 0.000 2.694 47 D HA 0.232 4.836 4.640 -0.061 0.000 0.260 47 D C -2.564 173.659 176.300 -0.128 0.000 1.250 47 D CA 0.117 54.068 54.000 -0.082 0.000 0.763 47 D CB 4.612 45.375 40.800 -0.062 0.000 1.311 47 D HN -0.719 7.582 8.370 -0.116 0.000 0.420 48 V N -2.185 117.670 119.914 -0.097 0.000 3.048 48 V HA 0.183 4.343 4.120 -0.092 -0.094 0.303 48 V C -1.669 174.393 176.094 -0.052 0.000 1.214 48 V CA -1.356 60.890 62.300 -0.090 0.000 0.984 48 V CB 3.302 35.053 31.823 -0.119 0.000 1.054 48 V HN 0.216 8.360 8.190 -0.077 0.000 0.430 49 R N 3.133 123.629 120.500 -0.008 0.000 3.236 49 R HA 0.476 4.779 4.340 -0.061 0.000 0.234 49 R C -1.442 174.839 176.300 -0.030 0.000 1.541 49 R CA -1.777 54.305 56.100 -0.030 0.000 1.038 49 R CB 2.650 32.918 30.300 -0.054 0.000 1.587 49 R HN -0.009 8.158 8.270 0.046 0.131 0.515 50 T N -2.272 112.230 114.554 -0.087 0.000 2.887 50 T HA 0.218 4.486 4.350 -0.135 0.000 0.292 50 T C -0.007 174.445 174.700 -0.413 0.000 1.087 50 T CA -1.949 60.045 62.100 -0.177 0.000 1.009 50 T CB 2.091 70.861 68.868 -0.164 0.000 1.203 50 T HN -0.062 8.115 8.240 -0.105 0.000 0.518 51 G N 2.649 110.998 108.800 -0.751 0.000 4.126 51 G HA2 0.322 2.610 3.960 -2.787 0.000 0.282 51 G HA3 0.322 2.391 3.960 -3.254 -0.061 0.282 51 G C -1.161 173.026 174.900 -1.189 0.000 1.221 51 G CA -0.915 42.782 45.100 -2.340 0.000 1.527 51 G HN 0.579 8.563 8.290 -0.473 0.022 0.612 52 T N 4.536 118.773 114.554 -0.529 0.000 1.006 52 T HA -0.491 3.783 4.350 -0.127 0.000 0.722 52 T C -0.220 174.450 174.700 -0.050 0.000 0.984 52 T CA 1.683 63.695 62.100 -0.147 0.000 3.823 52 T CB -1.194 67.681 68.868 0.013 0.000 2.145 52 T HN -0.291 7.578 8.240 -0.501 0.070 0.370 53 N N -0.283 118.381 118.700 -0.061 0.000 3.049 53 N HA -0.427 4.295 4.740 -0.030 0.000 0.243 53 N C -0.466 175.028 175.510 -0.027 0.000 1.053 53 N CA 1.477 54.514 53.050 -0.023 0.000 0.869 53 N CB -0.863 37.637 38.487 0.022 0.000 1.114 53 N HN 0.619 8.946 8.380 -0.088 0.000 0.547 54 R N -9.235 111.222 120.500 -0.072 0.000 3.953 54 R HA -0.560 3.729 4.340 -0.085 0.000 0.340 54 R C 0.597 176.902 176.300 0.007 0.000 1.195 54 R CA 1.211 57.278 56.100 -0.055 0.000 0.929 54 R CB -3.575 26.699 30.300 -0.043 0.000 1.402 54 R HN -0.051 8.123 8.270 -0.115 0.027 0.540 55 K N -0.468 119.969 120.400 0.061 0.000 2.007 55 K HA -0.244 4.164 4.320 0.146 0.000 0.206 55 K C -0.289 176.506 176.600 0.324 0.000 1.047 55 K CA 3.320 59.736 56.287 0.214 0.000 0.937 55 K CB 0.740 33.449 32.500 0.350 0.000 0.718 55 K HN 0.285 8.657 8.250 0.020 -0.110 0.438 56 F N -6.661 113.344 119.950 0.092 0.000 3.141 56 F HA 0.257 4.815 4.527 0.093 0.025 0.346 56 F C -1.517 174.366 175.800 0.139 0.000 1.368 56 F CA -2.050 56.035 58.000 0.142 0.000 1.063 56 F CB 1.415 40.587 39.000 0.288 0.000 1.593 56 F HN -0.603 7.587 8.300 0.017 0.120 0.482 57 G N -4.379 104.472 108.800 0.085 0.000 2.321 57 G HA2 0.094 4.048 3.960 -0.176 0.000 0.296 57 G HA3 0.094 4.031 3.960 -0.038 0.000 0.296 57 G C -3.283 171.728 174.900 0.184 0.000 1.287 57 G CA 0.821 45.914 45.100 -0.011 0.000 0.846 57 G HN -0.102 8.535 8.290 0.578 0.000 0.508 58 Y N -2.342 117.957 120.300 -0.002 0.000 2.705 58 Y HA 0.898 5.636 4.550 0.114 -0.119 0.332 58 Y C -0.720 175.129 175.900 -0.086 0.000 1.157 58 Y CA -0.629 57.485 58.100 0.022 0.000 1.091 58 Y CB 5.146 43.612 38.460 0.010 0.000 1.301 58 Y HN -0.392 7.872 8.280 0.171 0.119 0.488 59 V N -2.041 117.901 119.914 0.045 0.000 3.282 59 V HA 0.348 4.482 4.120 -0.189 -0.127 0.295 59 V C -2.719 173.114 176.094 -0.435 0.000 1.451 59 V CA -1.034 61.129 62.300 -0.229 0.000 1.062 59 V CB 4.888 36.546 31.823 -0.275 0.000 1.128 59 V HN 0.282 8.572 8.190 0.167 0.000 0.456 60 D N 0.186 120.196 120.400 -0.651 0.000 2.947 60 D HA 0.541 4.944 4.640 -0.604 -0.125 0.224 60 D C -1.247 174.676 176.300 -0.628 0.000 1.230 60 D CA -0.697 52.942 54.000 -0.602 0.000 0.871 60 D CB 3.805 44.478 40.800 -0.212 0.000 1.671 60 D HN 0.102 8.130 8.370 -0.570 0.000 0.507 61 F N 0.176 120.237 119.950 0.186 0.000 2.585 61 F HA 0.343 4.952 4.527 0.137 0.000 0.350 61 F C 0.226 176.158 175.800 0.220 0.000 1.074 61 F CA -2.155 55.952 58.000 0.179 0.000 1.032 61 F CB 3.243 42.343 39.000 0.167 0.000 1.330 61 F HN 1.185 9.209 8.300 -0.233 0.137 0.495 62 E N -2.390 118.029 120.200 0.365 0.000 2.624 62 E HA 0.157 4.709 4.350 0.336 0.000 0.210 62 E C -1.216 175.530 176.600 0.245 0.000 0.997 62 E CA -0.444 56.131 56.400 0.293 0.000 0.999 62 E CB 0.286 30.092 29.700 0.178 0.000 1.040 62 E HN -0.085 8.632 8.360 0.333 -0.157 0.469 63 S N -3.370 112.289 115.700 -0.069 0.000 2.655 63 S HA 0.068 4.475 4.470 -0.105 0.000 0.266 63 S C -0.983 172.182 174.600 -2.393 0.000 1.149 63 S CA -1.324 56.450 58.200 -0.709 0.000 0.818 63 S CB 1.821 64.856 63.200 -0.276 0.000 1.130 63 S HN -0.589 7.631 8.310 -0.051 0.059 0.476 64 A N -0.578 121.283 122.820 -1.597 0.000 2.067 64 A HA 0.017 3.599 4.320 -1.231 0.000 0.217 64 A C 1.885 179.163 177.584 -0.510 0.000 1.156 64 A CA 2.123 53.586 52.037 -0.957 0.000 0.683 64 A CB -0.389 18.547 19.000 -0.106 0.000 0.808 64 A HN 0.596 8.336 8.150 -0.683 0.000 0.455 65 E N -2.390 117.559 120.200 -0.418 0.000 2.216 65 E HA -0.194 4.028 4.350 -0.215 0.000 0.192 65 E C 1.905 178.317 176.600 -0.313 0.000 0.988 65 E CA 3.036 59.275 56.400 -0.270 0.000 0.834 65 E CB -0.281 29.307 29.700 -0.186 0.000 0.772 65 E HN 0.448 8.512 8.360 -0.436 0.034 0.479 66 D N -0.146 120.022 120.400 -0.386 0.000 2.213 66 D HA -0.080 4.359 4.640 -0.334 0.000 0.205 66 D C 2.251 178.139 176.300 -0.686 0.000 0.961 66 D CA 2.606 56.371 54.000 -0.391 0.000 0.853 66 D CB 0.063 40.767 40.800 -0.158 0.000 0.967 66 D HN -0.552 7.397 8.370 -0.474 0.136 0.496 67 L N 0.069 120.956 121.223 -0.560 0.000 2.109 67 L HA -0.136 3.817 4.340 -0.645 0.000 0.207 67 L C 1.560 178.257 176.870 -0.289 0.000 1.086 67 L CA 3.185 57.802 54.840 -0.372 0.000 0.760 67 L CB -0.295 41.795 42.059 0.053 0.000 0.910 67 L HN -0.413 7.362 8.230 -0.610 0.090 0.437 68 E N -0.701 119.347 120.200 -0.253 0.000 2.107 68 E HA -0.319 3.966 4.350 -0.110 0.000 0.191 68 E C 2.088 178.558 176.600 -0.216 0.000 0.982 68 E CA 3.478 59.775 56.400 -0.172 0.000 0.809 68 E CB -0.208 29.407 29.700 -0.141 0.000 0.756 68 E HN -0.182 8.002 8.360 -0.295 0.000 0.459 69 K N -0.712 119.511 120.400 -0.297 0.000 2.167 69 K HA -0.142 4.028 4.320 -0.249 0.000 0.203 69 K C 1.904 178.267 176.600 -0.396 0.000 1.052 69 K CA 1.857 57.953 56.287 -0.319 0.000 0.956 69 K CB -0.302 31.992 32.500 -0.343 0.000 0.735 69 K HN -0.610 7.440 8.250 -0.333 0.000 0.451 70 A N -0.879 121.623 122.820 -0.529 0.000 2.019 70 A HA -0.192 3.900 4.320 -0.380 0.000 0.219 70 A C 0.911 178.395 177.584 -0.167 0.000 1.164 70 A CA 2.528 54.264 52.037 -0.501 0.000 0.644 70 A CB -0.707 17.427 19.000 -1.444 0.000 0.805 70 A HN -0.028 7.542 8.150 -0.602 0.219 0.449 71 L N -2.820 118.310 121.223 -0.155 0.000 2.023 71 L HA -0.288 4.048 4.340 -0.008 0.000 0.205 71 L C 2.147 178.975 176.870 -0.071 0.000 1.073 71 L CA 2.810 57.614 54.840 -0.059 0.000 0.745 71 L CB 0.281 42.310 42.059 -0.051 0.000 0.900 71 L HN -0.605 7.350 8.230 -0.214 0.146 0.435 72 E N -1.333 118.800 120.200 -0.112 0.000 2.409 72 E HA -0.260 4.044 4.350 -0.076 0.000 0.198 72 E C 2.300 178.832 176.600 -0.114 0.000 1.024 72 E CA 2.472 58.809 56.400 -0.105 0.000 0.861 72 E CB -0.157 29.466 29.700 -0.127 0.000 0.788 72 E HN -0.678 7.597 8.360 -0.141 0.000 0.521 73 L N -2.019 119.122 121.223 -0.137 0.000 2.675 73 L HA 0.036 4.279 4.340 -0.163 0.000 0.239 73 L C 0.666 177.542 176.870 0.009 0.000 1.151 73 L CA -0.171 54.601 54.840 -0.113 0.000 0.905 73 L CB -1.633 40.327 42.059 -0.165 0.000 1.057 73 L HN -0.226 7.798 8.230 -0.156 0.113 0.435 74 T N 0.923 115.471 114.554 -0.009 0.000 3.155 74 T HA -0.216 4.141 4.350 0.011 0.000 0.264 74 T C 0.683 175.381 174.700 -0.003 0.000 1.160 74 T CA 3.497 65.596 62.100 -0.003 0.000 1.075 74 T CB -0.474 68.381 68.868 -0.022 0.000 0.921 74 T HN -0.592 7.527 8.240 -0.033 0.101 0.533 75 G N 0.355 109.150 108.800 -0.009 0.000 3.562 75 G HA2 0.129 4.086 3.960 -0.006 0.000 0.279 75 G HA3 0.129 4.078 3.960 -0.019 0.000 0.279 75 G C -1.344 173.562 174.900 0.010 0.000 1.314 75 G CA -0.734 44.362 45.100 -0.007 0.000 1.189 75 G HN -0.723 7.468 8.290 -0.021 0.087 0.562 76 L N 0.121 121.366 121.223 0.037 0.000 2.281 76 L HA 0.104 4.481 4.340 0.061 0.000 0.285 76 L C -1.277 175.621 176.870 0.046 0.000 1.074 76 L CA -0.532 54.347 54.840 0.065 0.000 0.817 76 L CB 1.378 43.514 42.059 0.127 0.000 1.168 76 L HN -0.722 7.428 8.230 0.038 0.102 0.434 77 K N 4.648 125.069 120.400 0.035 0.000 2.229 77 K HA 0.081 4.541 4.320 0.034 -0.119 0.247 77 K C -0.648 175.979 176.600 0.045 0.000 1.117 77 K CA -0.854 55.451 56.287 0.031 0.000 1.036 77 K CB -0.211 32.296 32.500 0.011 0.000 1.654 77 K HN 0.533 8.800 8.250 0.029 0.000 0.405 78 V N 5.882 125.840 119.914 0.073 0.000 2.486 78 V HA -0.318 3.877 4.120 0.124 0.000 0.290 78 V C 0.425 176.641 176.094 0.203 0.000 0.991 78 V CA 1.828 64.204 62.300 0.126 0.000 1.142 78 V CB 0.229 32.118 31.823 0.110 0.000 0.926 78 V HN 0.279 8.427 8.190 0.064 0.081 0.472 79 F N 5.575 125.532 119.950 0.011 0.000 2.974 79 F HA -0.413 4.119 4.527 0.009 0.000 0.245 79 F C -0.656 175.149 175.800 0.009 0.000 0.996 79 F CA 1.150 59.155 58.000 0.008 0.000 0.832 79 F CB -1.593 37.409 39.000 0.004 0.000 0.729 79 F HN 0.541 8.910 8.300 0.114 0.000 0.780 80 G N -3.745 105.110 108.800 0.091 0.000 2.131 80 G HA2 -0.404 3.575 3.960 0.032 0.000 0.201 80 G HA3 -0.404 3.605 3.960 0.082 0.000 0.201 80 G C -1.082 173.861 174.900 0.071 0.000 1.000 80 G CA -0.239 44.902 45.100 0.068 0.000 0.680 80 G HN -0.310 7.882 8.290 0.045 0.124 0.514 81 N N -0.092 118.654 118.700 0.076 0.000 2.609 81 N HA 0.142 4.913 4.740 0.051 0.000 0.268 81 N C -1.710 173.829 175.510 0.048 0.000 1.106 81 N CA -0.994 52.093 53.050 0.062 0.000 0.823 81 N CB 2.078 40.610 38.487 0.075 0.000 1.263 81 N HN -0.084 8.192 8.380 0.085 0.155 0.533 82 E N 5.752 125.972 120.200 0.034 0.000 2.481 82 E HA -0.245 4.238 4.350 0.026 -0.117 0.240 82 E C 0.375 176.987 176.600 0.020 0.000 1.193 82 E CA 0.666 57.081 56.400 0.024 0.000 0.955 82 E CB -0.716 28.994 29.700 0.015 0.000 1.006 82 E HN 0.262 8.641 8.360 0.031 0.000 0.483 83 I N 2.666 123.248 120.570 0.022 0.000 2.836 83 I HA 0.199 4.703 4.170 0.008 -0.329 0.285 83 I C -1.427 174.671 176.117 -0.032 0.000 1.174 83 I CA -0.388 60.913 61.300 0.001 0.000 1.405 83 I CB 1.046 39.048 38.000 0.005 0.000 1.385 83 I HN 0.756 8.885 8.210 0.033 0.101 0.594 84 K N 1.985 122.339 120.400 -0.077 0.000 2.132 84 K HA 0.101 4.378 4.320 -0.072 0.000 0.241 84 K C -1.215 175.235 176.600 -0.249 0.000 1.000 84 K CA -0.878 55.337 56.287 -0.119 0.000 0.911 84 K CB 2.754 35.199 32.500 -0.092 0.000 1.093 84 K HN 0.477 8.598 8.250 -0.075 0.083 0.460 85 L N -0.729 120.354 121.223 -0.232 0.000 2.479 85 L HA 0.873 5.093 4.340 -0.540 -0.204 0.255 85 L C -1.792 174.966 176.870 -0.187 0.000 1.026 85 L CA -1.259 53.404 54.840 -0.294 0.000 0.842 85 L CB 4.236 46.234 42.059 -0.101 0.000 1.444 85 L HN 0.081 8.225 8.230 -0.143 0.000 0.409 86 E N -3.104 117.021 120.200 -0.125 0.000 2.343 86 E HA 0.127 4.514 4.350 0.063 0.000 0.275 86 E C -2.624 174.085 176.600 0.182 0.000 1.225 86 E CA -0.867 55.575 56.400 0.070 0.000 0.947 86 E CB 1.143 30.925 29.700 0.137 0.000 1.273 86 E HN 0.179 8.430 8.360 -0.182 0.000 0.405 87 K N 0.822 121.326 120.400 0.173 0.000 2.561 87 K HA -0.155 4.265 4.320 0.167 0.000 0.280 87 K C -1.489 175.236 176.600 0.209 0.000 0.975 87 K CA -0.596 55.792 56.287 0.170 0.000 1.024 87 K CB -0.053 32.519 32.500 0.120 0.000 0.883 87 K HN 0.177 8.509 8.250 0.137 0.000 0.496 88 P HA 0.070 4.545 4.420 0.092 0.000 0.274 88 P C -1.298 176.039 177.300 0.063 0.000 1.231 88 P CA 0.016 63.193 63.100 0.128 0.000 0.790 88 P CB 1.011 32.854 31.700 0.238 0.000 0.951 89 K N 0.079 120.465 120.400 -0.022 0.000 2.514 89 K HA 0.224 4.534 4.320 -0.016 0.000 0.207 89 K C 0.463 177.073 176.600 0.018 0.000 1.035 89 K CA -1.032 55.229 56.287 -0.043 0.000 1.113 89 K CB 0.200 32.595 32.500 -0.175 0.000 0.846 89 K HN 0.234 8.431 8.250 -0.088 0.000 0.491 90 G N -0.223 108.644 108.800 0.112 0.000 2.101 90 G HA2 -0.182 3.834 3.960 0.094 0.000 0.262 90 G HA3 -0.182 3.836 3.960 0.097 0.000 0.262 90 G C -0.669 174.249 174.900 0.030 0.000 1.041 90 G CA 0.676 45.829 45.100 0.089 0.000 1.002 90 G HN -0.015 8.318 8.290 0.185 0.068 0.403 91 R N 2.572 123.078 120.500 0.010 0.000 5.225 91 R HA 0.112 4.453 4.340 0.000 0.000 0.088 91 R C -0.695 175.601 176.300 -0.007 0.000 0.705 91 R CA -0.079 56.019 56.100 -0.003 0.000 1.064 91 R CB 1.681 31.973 30.300 -0.012 0.000 1.417 91 R HN -0.041 8.236 8.270 0.011 0.000 0.390 92 D N 0.582 120.974 120.400 -0.013 0.000 2.217 92 D HA 0.268 4.902 4.640 -0.009 0.000 0.248 92 D C -0.089 176.206 176.300 -0.008 0.000 1.008 92 D CA -0.685 53.307 54.000 -0.012 0.000 0.914 92 D CB 1.632 42.421 40.800 -0.018 0.000 1.182 92 D HN 0.102 8.460 8.370 -0.020 0.000 0.451 93 S N 1.938 117.635 115.700 -0.005 0.000 3.844 93 S HA -0.184 4.290 4.470 0.006 0.000 0.193 93 S C 0.535 175.140 174.600 0.009 0.000 1.255 93 S CA 0.682 58.883 58.200 0.003 0.000 1.028 93 S CB -0.895 62.304 63.200 -0.000 0.000 1.436 93 S HN 0.527 8.833 8.310 -0.006 0.000 0.442 94 K N 3.053 123.454 120.400 0.001 0.000 10.951 94 K HA -0.530 3.757 4.320 -0.055 0.000 0.527 94 K C -0.063 176.523 176.600 -0.024 0.000 0.394 94 K CA 2.792 59.069 56.287 -0.017 0.000 1.929 94 K CB -1.507 31.014 32.500 0.036 0.000 0.787 94 K HN 0.941 9.109 8.250 -0.004 0.079 1.223 95 K N -1.019 119.379 120.400 -0.004 0.000 2.505 95 K HA -0.043 4.273 4.320 -0.007 0.000 0.192 95 K C 0.866 177.466 176.600 -0.000 0.000 1.025 95 K CA 1.808 58.094 56.287 -0.001 0.000 1.086 95 K CB -0.120 32.386 32.500 0.009 0.000 0.840 95 K HN 0.377 8.582 8.250 0.009 0.050 0.514 96 V N -0.332 119.579 119.914 -0.005 0.000 2.685 96 V HA -0.128 3.991 4.120 -0.001 0.000 0.244 96 V C 1.460 177.546 176.094 -0.012 0.000 1.054 96 V CA 2.788 65.085 62.300 -0.005 0.000 1.076 96 V CB 0.118 31.938 31.823 -0.005 0.000 0.725 96 V HN -0.225 7.769 8.190 -0.008 0.191 0.467 97 R N 0.273 120.761 120.500 -0.019 0.000 2.159 97 R HA -0.274 4.053 4.340 -0.022 0.000 0.237 97 R C 1.794 178.076 176.300 -0.031 0.000 1.131 97 R CA 2.898 58.984 56.100 -0.024 0.000 0.982 97 R CB -1.218 29.063 30.300 -0.031 0.000 0.868 97 R HN -0.254 8.004 8.270 -0.021 0.000 0.453 98 A N -0.859 121.952 122.820 -0.016 0.000 1.948 98 A HA -0.247 4.083 4.320 0.015 0.000 0.220 98 A C 1.784 179.292 177.584 -0.128 0.000 1.177 98 A CA 2.589 54.613 52.037 -0.022 0.000 0.636 98 A CB -0.932 18.083 19.000 0.026 0.000 0.815 98 A HN 0.149 8.270 8.150 -0.008 0.024 0.449 99 A N -1.573 121.200 122.820 -0.078 0.000 1.883 99 A HA -0.237 4.138 4.320 -0.059 -0.089 0.217 99 A C 0.627 178.128 177.584 -0.139 0.000 1.186 99 A CA 2.651 54.644 52.037 -0.073 0.000 0.624 99 A CB -0.041 18.956 19.000 -0.005 0.000 0.822 99 A HN -0.361 7.652 8.150 -0.038 0.114 0.444 100 R N -4.969 115.471 120.500 -0.101 0.000 2.568 100 R HA 0.087 4.412 4.340 -0.026 0.000 0.288 100 R C -1.468 174.757 176.300 -0.125 0.000 1.077 100 R CA -0.925 55.135 56.100 -0.067 0.000 1.102 100 R CB -0.869 29.435 30.300 0.006 0.000 1.278 100 R HN -0.519 7.710 8.270 -0.067 0.000 0.560 101 T N 2.046 116.407 114.554 -0.322 0.000 2.901 101 T HA 0.568 4.966 4.350 -0.074 -0.092 0.293 101 T C -2.413 171.946 174.700 -0.568 0.000 1.084 101 T CA -0.259 61.685 62.100 -0.261 0.000 1.008 101 T CB 4.114 72.919 68.868 -0.104 0.000 1.170 101 T HN -0.246 7.530 8.240 -0.438 0.202 0.509 102 L N -2.328 118.675 121.223 -0.367 0.000 2.526 102 L HA 0.748 4.805 4.340 -0.439 0.020 0.263 102 L C -2.399 174.225 176.870 -0.410 0.000 0.943 102 L CA -0.430 54.188 54.840 -0.369 0.000 0.859 102 L CB 3.812 45.803 42.059 -0.113 0.000 1.313 102 L HN 0.937 8.922 8.230 -0.196 0.127 0.406 103 L N -1.659 119.234 121.223 -0.550 0.000 2.325 103 L HA 0.841 5.129 4.340 -0.427 -0.203 0.278 103 L C -1.154 175.636 176.870 -0.133 0.000 1.023 103 L CA -2.318 52.206 54.840 -0.527 0.000 0.811 103 L CB 3.059 44.430 42.059 -1.145 0.000 1.249 103 L HN 1.085 8.923 8.230 -0.490 0.099 0.431 104 A N 1.476 124.283 122.820 -0.023 0.000 2.351 104 A HA 0.787 5.389 4.320 0.169 -0.180 0.257 104 A C -0.724 176.888 177.584 0.046 0.000 1.087 104 A CA -0.933 51.170 52.037 0.111 0.000 0.798 104 A CB 1.513 20.644 19.000 0.219 0.000 1.033 104 A HN 1.260 9.279 8.150 -0.034 0.111 0.488 105 K N -0.194 120.237 120.400 0.052 0.000 2.409 105 K HA 0.361 4.627 4.320 -0.091 0.000 0.252 105 K C -0.393 176.207 176.600 -0.000 0.000 1.036 105 K CA -2.121 54.128 56.287 -0.064 0.000 0.871 105 K CB 3.886 36.213 32.500 -0.289 0.000 1.374 105 K HN 0.923 9.104 8.250 0.129 0.146 0.459 106 N N -2.328 116.358 118.700 -0.024 0.000 2.747 106 N HA -0.346 4.401 4.740 0.011 0.000 0.249 106 N C -1.009 174.521 175.510 0.034 0.000 1.107 106 N CA 0.977 54.036 53.050 0.015 0.000 0.707 106 N CB -1.093 37.417 38.487 0.037 0.000 1.054 106 N HN 0.434 8.774 8.380 -0.068 0.000 0.555 107 L N -3.585 117.655 121.223 0.028 0.000 2.777 107 L HA 0.068 4.436 4.340 0.047 0.000 0.195 107 L C -0.173 176.728 176.870 0.050 0.000 1.190 107 L CA 0.970 55.833 54.840 0.038 0.000 0.933 107 L CB 0.751 42.826 42.059 0.028 0.000 1.758 107 L HN 0.026 8.145 8.230 0.011 0.118 0.515 108 S N -2.678 113.055 115.700 0.055 0.000 2.851 108 S HA 0.050 4.616 4.470 0.159 0.000 0.313 108 S C 0.383 175.051 174.600 0.113 0.000 1.163 108 S CA -1.253 57.018 58.200 0.119 0.000 0.850 108 S CB 1.701 64.968 63.200 0.113 0.000 1.245 108 S HN -0.219 8.114 8.310 0.039 0.000 0.558 109 F N 1.344 121.302 119.950 0.013 0.000 2.512 109 F HA 0.100 4.635 4.527 0.013 0.000 0.296 109 F C 0.813 176.621 175.800 0.013 0.000 1.110 109 F CA 1.723 59.730 58.000 0.012 0.000 1.446 109 F CB 0.491 39.497 39.000 0.010 0.000 1.092 109 F HN 0.182 8.732 8.300 0.417 0.000 0.554 110 N N -0.416 118.386 118.700 0.169 0.000 2.368 110 N HA -0.069 4.732 4.740 0.102 0.000 0.178 110 N C 0.795 176.336 175.510 0.052 0.000 1.021 110 N CA 0.887 53.996 53.050 0.098 0.000 0.875 110 N CB 1.330 39.869 38.487 0.086 0.000 1.020 110 N HN -0.641 7.815 8.380 0.179 0.032 0.433 111 I N -0.643 119.954 120.570 0.046 0.000 3.495 111 I HA -0.215 3.973 4.170 0.029 0.000 0.273 111 I C -0.568 175.559 176.117 0.016 0.000 1.313 111 I CA 1.736 63.053 61.300 0.029 0.000 1.313 111 I CB 0.600 38.620 38.000 0.032 0.000 1.355 111 I HN -0.384 7.958 8.210 0.061 -0.096 0.623 112 T N -1.194 113.372 114.554 0.021 0.000 2.700 112 T HA 0.218 4.569 4.350 0.002 0.000 0.307 112 T C -0.206 174.512 174.700 0.030 0.000 1.580 112 T CA -0.976 61.133 62.100 0.015 0.000 0.992 112 T CB 1.535 70.410 68.868 0.011 0.000 1.577 112 T HN -0.297 7.960 8.240 0.028 0.000 0.496 113 E N 0.898 121.113 120.200 0.025 0.000 2.130 113 E HA -0.501 3.883 4.350 0.056 0.000 0.196 113 E C 1.463 178.087 176.600 0.039 0.000 0.998 113 E CA 4.296 60.718 56.400 0.036 0.000 0.806 113 E CB -0.172 29.538 29.700 0.017 0.000 0.738 113 E HN 0.591 8.959 8.360 0.013 0.000 0.459 114 D N -2.414 118.000 120.400 0.025 0.000 2.092 114 D HA -0.291 4.360 4.640 0.018 0.000 0.193 114 D C 2.152 178.466 176.300 0.024 0.000 0.994 114 D CA 3.568 57.580 54.000 0.021 0.000 0.828 114 D CB -0.734 40.075 40.800 0.014 0.000 0.963 114 D HN 0.293 8.665 8.370 0.019 0.009 0.450 115 E N 0.073 120.287 120.200 0.024 0.000 2.085 115 E HA -0.276 4.075 4.350 0.002 0.000 0.194 115 E C 2.238 178.850 176.600 0.021 0.000 0.994 115 E CA 2.729 59.138 56.400 0.014 0.000 0.801 115 E CB -0.264 29.446 29.700 0.016 0.000 0.743 115 E HN -0.454 7.920 8.360 0.024 0.000 0.453 116 L N -0.573 120.694 121.223 0.074 0.000 2.093 116 L HA -0.347 4.076 4.340 0.138 0.000 0.208 116 L C 2.243 179.225 176.870 0.185 0.000 1.085 116 L CA 3.140 58.090 54.840 0.184 0.000 0.755 116 L CB -0.137 42.076 42.059 0.257 0.000 0.904 116 L HN 0.102 8.290 8.230 0.071 0.085 0.435 117 K N -0.540 119.922 120.400 0.103 0.000 2.211 117 K HA -0.348 4.026 4.320 0.090 0.000 0.203 117 K C 2.321 178.948 176.600 0.044 0.000 1.050 117 K CA 3.596 59.925 56.287 0.071 0.000 0.945 117 K CB -0.292 32.228 32.500 0.033 0.000 0.732 117 K HN 0.628 8.694 8.250 0.077 0.231 0.451 118 E N -1.504 118.706 120.200 0.016 0.000 2.158 118 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 118 E C 2.555 179.126 176.600 -0.049 0.000 0.982 118 E CA 2.553 58.946 56.400 -0.011 0.000 0.823 118 E CB 0.024 29.714 29.700 -0.016 0.000 0.766 118 E HN -0.251 7.977 8.360 0.019 0.144 0.468 119 V N -0.571 119.274 119.914 -0.116 0.000 2.599 119 V HA -0.246 3.751 4.120 -0.206 0.000 0.245 119 V C 0.295 176.195 176.094 -0.324 0.000 1.046 119 V CA 3.506 65.632 62.300 -0.290 0.000 1.065 119 V CB 1.024 32.554 31.823 -0.489 0.000 0.703 119 V HN -0.271 7.772 8.190 -0.087 0.095 0.464 120 F N -2.346 117.640 119.950 0.060 0.000 2.611 120 F HA 0.279 4.919 4.527 0.190 0.000 0.321 120 F C 0.369 176.169 175.800 -0.000 0.000 1.208 120 F CA -2.713 55.340 58.000 0.088 0.000 1.249 120 F CB -1.852 37.181 39.000 0.056 0.000 1.514 120 F HN 0.513 8.701 8.300 0.024 0.127 0.561 121 E N 2.135 122.427 120.200 0.153 0.000 2.333 121 E HA -0.290 4.186 4.350 0.050 -0.096 0.198 121 E C 0.616 177.260 176.600 0.074 0.000 1.007 121 E CA 2.306 58.755 56.400 0.081 0.000 0.845 121 E CB -0.356 29.380 29.700 0.061 0.000 0.766 121 E HN -0.355 8.020 8.360 0.118 0.056 0.507 122 D N -2.698 117.794 120.400 0.153 0.000 2.271 122 D HA 0.051 4.751 4.640 0.100 0.000 0.206 122 D C -0.694 175.519 176.300 -0.144 0.000 0.967 122 D CA 0.509 54.596 54.000 0.145 0.000 0.867 122 D CB 1.203 42.236 40.800 0.388 0.000 0.960 122 D HN -0.477 8.005 8.370 0.272 0.051 0.509 123 A N -0.877 121.566 122.820 -0.629 0.000 2.488 123 A HA -0.167 2.967 4.320 -2.090 -0.068 0.249 123 A C -0.024 177.234 177.584 -0.543 0.000 1.083 123 A CA 0.639 51.832 52.037 -1.407 0.000 0.768 123 A CB 0.432 18.469 19.000 -1.606 0.000 1.017 123 A HN -0.668 7.212 8.150 -0.275 0.105 0.496 124 L N 2.662 123.639 121.223 -0.410 0.000 2.202 124 L HA -0.032 4.215 4.340 -0.154 0.000 0.205 124 L C 0.249 177.017 176.870 -0.170 0.000 1.083 124 L CA 2.418 57.138 54.840 -0.200 0.000 0.790 124 L CB 0.598 42.580 42.059 -0.129 0.000 0.942 124 L HN -0.040 7.910 8.230 -0.467 0.000 0.452 125 E N -4.843 115.240 120.200 -0.195 0.000 2.312 125 E HA 0.306 4.595 4.350 -0.101 0.000 0.267 125 E C -2.052 174.469 176.600 -0.132 0.000 0.894 125 E CA -1.247 55.076 56.400 -0.129 0.000 0.773 125 E CB 4.054 33.697 29.700 -0.096 0.000 1.241 125 E HN -0.819 7.389 8.360 -0.253 0.000 0.432 126 I N -0.738 119.787 120.570 -0.075 0.000 2.802 126 I HA 0.494 4.726 4.170 -0.042 -0.088 0.298 126 I C -1.190 174.927 176.117 0.000 0.000 1.176 126 I CA -1.361 59.916 61.300 -0.037 0.000 1.025 126 I CB 4.344 42.328 38.000 -0.026 0.000 1.243 126 I HN 0.425 8.598 8.210 -0.062 0.000 0.424 127 R N 2.574 123.105 120.500 0.051 0.000 2.539 127 R HA 0.311 4.646 4.340 -0.008 0.000 0.295 127 R C -1.625 174.709 176.300 0.056 0.000 1.138 127 R CA -1.448 54.667 56.100 0.026 0.000 0.936 127 R CB 2.377 32.665 30.300 -0.020 0.000 1.182 127 R HN 0.840 9.018 8.270 0.100 0.152 0.459 128 L N 6.013 127.248 121.223 0.020 0.000 2.499 128 L HA -0.131 4.324 4.340 0.038 -0.092 0.273 128 L C -0.903 175.966 176.870 -0.001 0.000 1.195 128 L CA 0.724 55.572 54.840 0.014 0.000 0.882 128 L CB 0.303 42.351 42.059 -0.019 0.000 1.133 128 L HN 0.674 8.905 8.230 0.003 0.000 0.483 129 V N 6.607 126.532 119.914 0.018 0.000 2.328 129 V HA 0.247 4.350 4.120 -0.029 0.000 0.278 129 V C -1.241 174.827 176.094 -0.042 0.000 1.021 129 V CA -0.649 61.651 62.300 -0.001 0.000 0.838 129 V CB -0.367 31.498 31.823 0.070 0.000 0.999 129 V HN 1.016 9.083 8.190 0.035 0.144 0.447 130 S N 7.380 123.043 115.700 -0.062 0.000 2.788 130 S HA 0.234 4.746 4.470 -0.108 -0.107 0.291 130 S C -1.221 173.349 174.600 -0.049 0.000 1.061 130 S CA -1.592 56.557 58.200 -0.085 0.000 0.923 130 S CB 2.282 65.415 63.200 -0.110 0.000 1.339 130 S HN 0.178 8.454 8.310 -0.057 0.000 0.591 131 Q N 0.220 119.997 119.800 -0.038 0.000 2.936 131 Q HA 0.099 4.434 4.340 -0.009 0.000 0.383 131 Q C -0.998 174.999 176.000 -0.006 0.000 1.167 131 Q CA -1.304 54.493 55.803 -0.010 0.000 1.038 131 Q CB -1.189 27.557 28.738 0.013 0.000 1.409 131 Q HN 0.128 8.244 8.270 -0.051 0.123 0.448 132 D N -0.208 120.183 120.400 -0.015 0.000 2.955 132 D HA -0.336 4.296 4.640 -0.013 0.000 0.226 132 D C -0.440 175.859 176.300 -0.001 0.000 1.178 132 D CA 0.873 54.868 54.000 -0.007 0.000 0.808 132 D CB -0.341 40.459 40.800 0.001 0.000 1.099 132 D HN -0.362 7.931 8.370 -0.025 0.062 0.421 133 G N -4.287 104.510 108.800 -0.005 0.000 2.556 133 G HA2 -0.224 3.736 3.960 0.001 0.000 0.231 133 G HA3 -0.224 3.744 3.960 0.014 0.000 0.231 133 G C -1.929 172.981 174.900 0.017 0.000 1.687 133 G CA -0.025 45.078 45.100 0.006 0.000 0.917 133 G HN -0.602 7.632 8.290 -0.016 0.047 0.492 134 K N -0.691 119.707 120.400 -0.004 0.000 2.632 134 K HA -0.051 4.307 4.320 0.062 0.000 0.308 134 K C -2.075 174.461 176.600 -0.106 0.000 1.233 134 K CA -0.323 55.978 56.287 0.023 0.000 1.122 134 K CB 1.031 33.582 32.500 0.085 0.000 1.414 134 K HN -0.597 7.633 8.250 -0.034 0.000 0.436 135 S N 4.515 119.993 115.700 -0.370 0.000 2.643 135 S HA -0.220 3.962 4.470 -0.479 0.000 0.310 135 S C -0.197 174.130 174.600 -0.455 0.000 1.253 135 S CA 2.080 59.830 58.200 -0.749 0.000 1.047 135 S CB 0.270 62.235 63.200 -2.059 0.000 0.767 135 S HN 0.668 8.790 8.310 -0.312 0.000 0.498 136 K N 6.960 127.204 120.400 -0.260 0.000 2.380 136 K HA 0.175 4.489 4.320 -0.011 0.000 0.200 136 K C 0.410 176.976 176.600 -0.055 0.000 1.201 136 K CA -0.574 55.663 56.287 -0.084 0.000 0.916 136 K CB 1.541 34.009 32.500 -0.054 0.000 1.187 136 K HN 0.530 8.624 8.250 -0.260 0.000 0.498 137 G N -1.076 107.672 108.800 -0.087 0.000 2.273 137 G HA2 -0.125 3.812 3.960 -0.038 0.000 0.162 137 G HA3 -0.125 3.830 3.960 -0.008 0.000 0.162 137 G C -1.485 173.398 174.900 -0.029 0.000 1.006 137 G CA -0.289 44.789 45.100 -0.037 0.000 0.704 137 G HN -0.611 7.605 8.290 -0.123 0.000 0.487 138 I N -1.842 118.711 120.570 -0.029 0.000 2.982 138 I HA 0.890 5.201 4.170 -0.014 -0.150 0.312 138 I C -1.919 174.221 176.117 0.038 0.000 1.041 138 I CA -2.480 58.819 61.300 -0.003 0.000 1.053 138 I CB 3.467 41.468 38.000 0.001 0.000 1.248 138 I HN -0.288 7.898 8.210 -0.040 0.000 0.471 139 A N 0.118 122.980 122.820 0.070 0.000 2.497 139 A HA 0.386 4.962 4.320 0.104 -0.194 0.280 139 A C -2.104 175.542 177.584 0.103 0.000 1.065 139 A CA -0.631 51.465 52.037 0.098 0.000 0.781 139 A CB 2.877 21.930 19.000 0.088 0.000 1.289 139 A HN 0.725 8.808 8.150 0.046 0.095 0.415 140 Y N 4.132 124.410 120.300 -0.037 0.000 2.397 140 Y HA -0.060 4.464 4.550 -0.045 0.000 0.335 140 Y C -0.861 174.986 175.900 -0.089 0.000 1.213 140 Y CA 1.823 59.889 58.100 -0.057 0.000 1.391 140 Y CB 1.981 40.400 38.460 -0.067 0.000 1.293 140 Y HN 1.122 9.485 8.280 0.330 0.115 0.557 141 I N 1.553 122.056 120.570 -0.111 0.000 2.571 141 I HA 0.353 4.604 4.170 -0.157 -0.175 0.286 141 I C -2.016 174.038 176.117 -0.105 0.000 1.134 141 I CA -0.921 60.274 61.300 -0.175 0.000 1.052 141 I CB 3.228 41.004 38.000 -0.374 0.000 1.237 141 I HN 0.650 8.604 8.210 -0.250 0.105 0.435 142 E N 6.983 127.102 120.200 -0.136 0.000 2.231 142 E HA 0.419 4.891 4.350 0.040 -0.097 0.277 142 E C -1.672 174.832 176.600 -0.160 0.000 0.999 142 E CA -1.381 54.990 56.400 -0.049 0.000 0.827 142 E CB 3.017 32.684 29.700 -0.056 0.000 1.101 142 E HN 0.826 8.959 8.360 -0.167 0.126 0.393 143 F N 3.593 123.486 119.950 -0.095 0.000 2.697 143 F HA 0.305 4.807 4.527 -0.041 0.000 0.386 143 F C 0.898 176.683 175.800 -0.025 0.000 1.154 143 F CA -1.155 56.816 58.000 -0.048 0.000 1.108 143 F CB 3.313 42.295 39.000 -0.030 0.000 1.429 143 F HN 0.421 8.896 8.300 0.291 0.000 0.509 144 K N -0.602 119.919 120.400 0.202 0.000 2.283 144 K HA -0.264 4.091 4.320 0.058 0.000 0.202 144 K C -0.300 176.360 176.600 0.100 0.000 1.048 144 K CA 2.373 58.723 56.287 0.106 0.000 0.948 144 K CB 0.081 32.642 32.500 0.101 0.000 0.742 144 K HN 0.518 8.945 8.250 0.294 0.000 0.458 145 S N -7.897 107.884 115.700 0.135 0.000 2.714 145 S HA 0.111 4.623 4.470 0.070 0.000 0.280 145 S C -0.905 173.760 174.600 0.107 0.000 1.200 145 S CA -0.737 57.518 58.200 0.092 0.000 0.900 145 S CB 1.182 64.425 63.200 0.071 0.000 1.235 145 S HN -1.003 7.393 8.310 0.206 0.037 0.512 146 E N 1.110 121.370 120.200 0.099 0.000 2.033 146 E HA -0.011 4.492 4.350 0.256 0.000 0.189 146 E C 1.765 178.436 176.600 0.118 0.000 0.979 146 E CA 3.016 59.520 56.400 0.174 0.000 0.802 146 E CB -0.072 29.718 29.700 0.150 0.000 0.763 146 E HN 0.567 8.973 8.360 0.077 0.000 0.449 147 A N -1.218 121.631 122.820 0.047 0.000 2.019 147 A HA -0.299 3.998 4.320 -0.038 0.000 0.219 147 A C 1.918 179.488 177.584 -0.022 0.000 1.164 147 A CA 3.071 55.105 52.037 -0.005 0.000 0.644 147 A CB -0.952 18.048 19.000 0.001 0.000 0.805 147 A HN 0.207 8.387 8.150 0.050 0.000 0.449 148 D N -0.809 119.600 120.400 0.016 0.000 2.085 148 D HA -0.269 4.382 4.640 0.019 0.000 0.199 148 D C 1.648 177.801 176.300 -0.245 0.000 0.981 148 D CA 3.613 57.623 54.000 0.017 0.000 0.834 148 D CB 0.211 41.109 40.800 0.162 0.000 0.992 148 D HN -0.147 8.143 8.370 0.053 0.111 0.457 149 A N -0.856 121.803 122.820 -0.269 0.000 1.978 149 A HA -0.349 2.214 4.320 -2.928 0.000 0.220 149 A C 1.994 179.313 177.584 -0.441 0.000 1.170 149 A CA 3.194 54.698 52.037 -0.889 0.000 0.636 149 A CB -0.646 18.279 19.000 -0.125 0.000 0.810 149 A HN -0.044 8.120 8.150 0.023 0.000 0.448 150 E N -1.580 118.532 120.200 -0.147 0.000 2.076 150 E HA -0.241 3.915 4.350 -0.324 0.000 0.190 150 E C 2.053 178.519 176.600 -0.223 0.000 0.979 150 E CA 3.076 59.327 56.400 -0.248 0.000 0.807 150 E CB 0.163 29.694 29.700 -0.281 0.000 0.761 150 E HN 0.390 8.505 8.360 -0.062 0.208 0.454 151 K N -0.127 120.165 120.400 -0.179 0.000 2.057 151 K HA -0.292 3.969 4.320 -0.098 0.000 0.207 151 K C 2.652 179.188 176.600 -0.107 0.000 1.049 151 K CA 2.446 58.664 56.287 -0.115 0.000 0.931 151 K CB -0.302 32.157 32.500 -0.067 0.000 0.714 151 K HN 0.044 8.077 8.250 -0.164 0.119 0.440 152 N N -0.269 118.314 118.700 -0.195 0.000 2.135 152 N HA -0.241 4.537 4.740 0.063 0.000 0.186 152 N C 1.877 177.394 175.510 0.011 0.000 1.027 152 N CA 3.440 56.452 53.050 -0.064 0.000 0.849 152 N CB 0.605 38.992 38.487 -0.166 0.000 1.002 152 N HN -0.183 7.995 8.380 -0.336 0.000 0.425 153 L N 0.026 121.151 121.223 -0.162 0.000 2.013 153 L HA -0.435 3.997 4.340 0.152 0.000 0.212 153 L C 1.228 178.112 176.870 0.022 0.000 1.073 153 L CA 3.507 58.344 54.840 -0.006 0.000 0.753 153 L CB 0.065 42.073 42.059 -0.086 0.000 0.890 153 L HN 0.026 7.893 8.230 -0.419 0.112 0.432 154 E N -2.740 117.429 120.200 -0.052 0.000 2.112 154 E HA -0.299 4.029 4.350 -0.037 0.000 0.190 154 E C 1.728 178.322 176.600 -0.011 0.000 0.979 154 E CA 2.414 58.788 56.400 -0.044 0.000 0.814 154 E CB -0.417 29.232 29.700 -0.085 0.000 0.762 154 E HN -0.099 8.198 8.360 -0.105 0.000 0.460 155 E N -0.392 119.807 120.200 -0.002 0.000 2.160 155 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 155 E C 1.195 177.808 176.600 0.023 0.000 0.991 155 E CA 1.786 58.193 56.400 0.013 0.000 0.810 155 E CB 0.141 29.858 29.700 0.027 0.000 0.742 155 E HN -0.236 7.929 8.360 -0.017 0.185 0.466 156 K N -3.576 116.855 120.400 0.052 0.000 2.267 156 K HA 0.121 4.433 4.320 -0.013 0.000 0.213 156 K C -0.087 176.535 176.600 0.038 0.000 1.060 156 K CA 0.115 56.414 56.287 0.020 0.000 0.935 156 K CB 1.367 33.856 32.500 -0.019 0.000 1.096 156 K HN -0.125 8.158 8.250 0.091 0.022 0.468 157 Q N -1.213 118.644 119.800 0.095 0.000 2.452 157 Q HA -0.420 3.999 4.340 0.132 0.000 0.247 157 Q C 0.218 176.253 176.000 0.058 0.000 1.278 157 Q CA 1.594 57.450 55.803 0.087 0.000 0.829 157 Q CB -2.024 26.740 28.738 0.044 0.000 0.925 157 Q HN -0.160 8.207 8.270 0.161 0.000 0.303 158 G N 0.924 109.763 108.800 0.066 0.000 3.131 158 G HA2 -0.339 3.662 3.960 0.053 0.000 0.198 158 G HA3 -0.339 3.638 3.960 0.028 0.000 0.198 158 G C -1.802 173.107 174.900 0.016 0.000 1.435 158 G CA 0.056 45.180 45.100 0.040 0.000 1.016 158 G HN 0.783 9.132 8.290 0.097 0.000 0.499 159 A N 1.764 124.575 122.820 -0.016 0.000 1.637 159 A HA -0.417 3.865 4.320 -0.063 0.000 0.218 159 A C -1.125 176.445 177.584 -0.025 0.000 1.243 159 A CA 0.391 52.397 52.037 -0.050 0.000 0.702 159 A CB -0.332 18.605 19.000 -0.103 0.000 1.179 159 A HN -0.368 7.773 8.150 -0.015 0.000 0.227 160 E N 1.352 121.541 120.200 -0.018 0.000 2.059 160 E HA -0.231 4.120 4.350 0.002 0.000 0.262 160 E C -0.650 175.945 176.600 -0.009 0.000 1.230 160 E CA 1.145 57.541 56.400 -0.007 0.000 0.951 160 E CB -0.256 29.440 29.700 -0.006 0.000 1.038 160 E HN 0.190 8.537 8.360 -0.022 0.000 0.425 161 I N 3.606 124.175 120.570 -0.002 0.000 3.264 161 I HA 0.199 4.367 4.170 -0.003 0.000 0.315 161 I C -0.890 175.234 176.117 0.012 0.000 1.154 161 I CA -1.555 59.745 61.300 -0.000 0.000 0.962 161 I CB 3.703 41.699 38.000 -0.006 0.000 1.265 161 I HN 0.462 8.675 8.210 0.004 0.000 0.463 162 D N 0.962 121.371 120.400 0.015 0.000 2.739 162 D HA -0.365 4.289 4.640 0.024 0.000 0.230 162 D C -0.046 176.268 176.300 0.023 0.000 1.167 162 D CA 1.634 55.649 54.000 0.025 0.000 0.640 162 D CB -0.543 40.279 40.800 0.036 0.000 1.045 162 D HN 0.496 8.873 8.370 0.012 0.000 0.421 163 G N -6.515 102.294 108.800 0.017 0.000 2.341 163 G HA2 -0.360 3.607 3.960 0.012 0.000 0.292 163 G HA3 -0.360 3.609 3.960 0.015 0.000 0.292 163 G C -1.203 173.709 174.900 0.019 0.000 1.021 163 G CA 0.511 45.620 45.100 0.015 0.000 0.905 163 G HN 0.312 8.593 8.290 0.013 0.016 0.508 164 R N -3.635 116.878 120.500 0.021 0.000 2.663 164 R HA 0.283 4.638 4.340 0.024 0.000 0.267 164 R C -2.217 174.098 176.300 0.025 0.000 1.038 164 R CA -1.886 54.229 56.100 0.025 0.000 0.886 164 R CB 2.350 32.670 30.300 0.033 0.000 1.249 164 R HN 0.518 8.650 8.270 0.018 0.149 0.463 165 S N 1.974 117.691 115.700 0.029 0.000 2.525 165 S HA 0.595 5.367 4.470 0.023 -0.288 0.278 165 S C -0.448 174.180 174.600 0.046 0.000 1.234 165 S CA -0.203 58.016 58.200 0.032 0.000 1.058 165 S CB 1.282 64.501 63.200 0.032 0.000 0.983 165 S HN 0.282 8.610 8.310 0.030 0.000 0.495 166 V N 6.568 126.513 119.914 0.053 0.000 2.370 166 V HA 0.165 4.477 4.120 0.074 -0.147 0.279 166 V C -1.014 175.150 176.094 0.117 0.000 1.029 166 V CA -0.958 61.391 62.300 0.081 0.000 0.870 166 V CB 1.729 33.603 31.823 0.084 0.000 0.984 166 V HN 1.231 9.335 8.190 0.039 0.110 0.451 167 S N 7.261 123.043 115.700 0.137 0.000 2.645 167 S HA 0.074 4.642 4.470 0.164 0.000 0.266 167 S C -1.242 173.514 174.600 0.259 0.000 1.258 167 S CA 0.270 58.590 58.200 0.200 0.000 0.990 167 S CB 0.817 64.179 63.200 0.270 0.000 0.967 167 S HN 0.504 8.788 8.310 0.113 0.094 0.556 168 L N 1.018 122.404 121.223 0.272 0.000 2.343 168 L HA 0.290 4.897 4.340 0.238 -0.125 0.278 168 L C -1.243 175.780 176.870 0.254 0.000 0.996 168 L CA -0.515 54.473 54.840 0.247 0.000 0.831 168 L CB 2.240 44.413 42.059 0.190 0.000 1.232 168 L HN 0.963 9.856 8.230 0.211 -0.537 0.413 169 Y N 3.752 124.037 120.300 -0.026 0.000 2.434 169 Y HA 0.223 4.784 4.550 0.017 0.000 0.341 169 Y C -0.741 175.133 175.900 -0.043 0.000 0.965 169 Y CA -1.193 56.894 58.100 -0.023 0.000 1.205 169 Y CB 0.278 38.712 38.460 -0.044 0.000 1.121 169 Y HN 1.332 9.684 8.280 0.325 0.124 0.507 170 Y N 6.775 127.011 120.300 -0.106 0.000 2.156 170 Y HA -0.295 4.168 4.550 -0.145 0.000 0.403 170 Y C 0.305 176.151 175.900 -0.089 0.000 1.239 170 Y CA 2.283 60.311 58.100 -0.119 0.000 1.824 170 Y CB 0.747 39.138 38.460 -0.115 0.000 1.526 170 Y HN 0.207 8.561 8.280 0.122 0.000 0.750 171 T N 1.234 115.627 114.554 -0.267 0.000 3.198 171 T HA 0.223 4.580 4.350 0.012 0.000 0.352 171 T C -1.826 172.846 174.700 -0.046 0.000 1.197 171 T CA -0.500 61.536 62.100 -0.107 0.000 1.427 171 T CB 0.412 69.202 68.868 -0.130 0.000 0.983 171 T HN -0.173 7.617 8.240 -0.750 0.000 0.560 172 G N 2.094 110.933 108.800 0.064 0.000 2.947 172 G HA2 0.198 4.185 3.960 0.045 0.000 0.293 172 G HA3 0.198 4.232 3.960 0.124 0.000 0.293 172 G C -0.975 173.965 174.900 0.068 0.000 1.243 172 G CA -0.188 44.958 45.100 0.077 0.000 0.802 172 G HN -0.652 7.694 8.290 0.094 0.000 0.560 173 E N -1.413 118.821 120.200 0.057 0.000 2.251 173 E HA 0.005 4.381 4.350 0.044 0.000 0.194 173 E C 1.408 178.031 176.600 0.038 0.000 0.964 173 E CA 0.421 56.847 56.400 0.043 0.000 0.868 173 E CB 0.442 30.161 29.700 0.032 0.000 0.828 173 E HN -0.118 8.277 8.360 0.059 0.000 0.481 174 K N -0.581 119.841 120.400 0.037 0.000 2.308 174 K HA 0.028 4.357 4.320 0.015 0.000 0.197 174 K C 0.322 176.931 176.600 0.014 0.000 1.049 174 K CA 0.901 57.199 56.287 0.019 0.000 0.991 174 K CB 0.448 32.953 32.500 0.008 0.000 0.836 174 K HN -0.004 8.274 8.250 0.047 0.000 0.500 175 G N 0.000 108.823 108.800 0.038 0.000 5.446 175 G HA2 0.000 nan 3.960 nan 0.000 0.244 175 G HA3 0.000 3.973 3.960 0.022 0.000 0.244 175 G CA 0.000 45.114 45.100 0.023 0.000 0.502 175 G HN 0.000 8.330 8.290 0.067 0.000 0.925