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 1rkj_1_A 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 3.972 3.960 0.020 0.000 0.244 1 G C 0.000 174.923 174.900 0.039 0.000 0.946 1 G CA 0.000 45.114 45.100 0.024 0.000 0.502 2 S N 0.063 115.785 115.700 0.038 0.000 2.558 2 S HA -0.206 4.297 4.470 0.054 0.000 0.293 2 S C 0.368 175.052 174.600 0.140 0.000 1.292 2 S CA 0.199 58.432 58.200 0.055 0.000 1.063 2 S CB 0.767 63.973 63.200 0.010 0.000 0.831 2 S HN -0.269 8.056 8.310 0.024 0.000 0.499 3 H N 1.091 120.158 119.070 -0.005 0.000 4.642 3 H HA -0.337 4.215 4.556 -0.007 0.000 0.072 3 H C -0.902 174.423 175.328 -0.006 0.000 0.606 3 H CA 2.088 58.132 56.048 -0.006 0.000 1.026 3 H CB -0.099 29.660 29.762 -0.005 0.000 0.752 3 H HN 0.334 8.724 8.280 0.183 0.000 0.823 4 M N -4.967 114.700 119.600 0.112 0.000 3.198 4 M HA 0.120 4.614 4.480 0.023 0.000 0.273 4 M C -1.774 174.550 176.300 0.039 0.000 0.983 4 M CA -0.167 55.152 55.300 0.031 0.000 0.801 4 M CB 1.858 34.441 32.600 -0.029 0.000 1.603 4 M HN -0.284 8.084 8.290 0.180 0.030 0.559 5 V N -1.469 118.457 119.914 0.021 0.000 2.695 5 V HA 0.069 4.206 4.120 0.029 0.000 0.230 5 V C 0.165 176.269 176.094 0.018 0.000 1.110 5 V CA 0.391 62.704 62.300 0.022 0.000 1.159 5 V CB 0.458 32.293 31.823 0.019 0.000 0.875 5 V HN -0.085 8.112 8.190 0.011 0.000 0.502 6 E N 2.183 122.390 120.200 0.012 0.000 2.191 6 E HA 0.241 4.598 4.350 0.012 0.000 0.278 6 E C -0.881 175.719 176.600 0.000 0.000 0.972 6 E CA -0.546 55.860 56.400 0.010 0.000 0.804 6 E CB 0.831 30.539 29.700 0.013 0.000 1.110 6 E HN -0.213 8.153 8.360 0.010 0.000 0.394 7 G N 1.585 110.384 108.800 -0.001 0.000 2.708 7 G HA2 0.282 4.232 3.960 -0.017 0.000 0.289 7 G HA3 0.282 4.230 3.960 -0.019 0.000 0.289 7 G C -0.990 173.904 174.900 -0.010 0.000 1.416 7 G CA -0.552 44.541 45.100 -0.012 0.000 0.829 7 G HN 0.179 8.471 8.290 0.004 0.000 0.480 8 S N -0.039 115.649 115.700 -0.019 0.000 2.584 8 S HA 0.147 4.608 4.470 -0.015 0.000 0.273 8 S C 0.129 174.721 174.600 -0.014 0.000 1.311 8 S CA 0.245 58.433 58.200 -0.020 0.000 1.034 8 S CB 0.408 63.588 63.200 -0.034 0.000 0.939 8 S HN 0.033 8.327 8.310 -0.027 0.000 0.513 9 E N 2.887 123.081 120.200 -0.010 0.000 2.768 9 E HA 0.247 4.596 4.350 -0.003 0.000 0.290 9 E C -1.364 175.234 176.600 -0.004 0.000 1.100 9 E CA 0.158 56.555 56.400 -0.004 0.000 0.768 9 E CB 0.932 30.633 29.700 0.001 0.000 1.501 9 E HN 0.315 8.668 8.360 -0.012 0.000 0.384 10 S N 2.179 117.877 115.700 -0.003 0.000 2.998 10 S HA 0.385 4.853 4.470 -0.003 0.000 0.323 10 S C 0.030 174.634 174.600 0.006 0.000 1.141 10 S CA -0.624 57.575 58.200 -0.002 0.000 0.873 10 S CB 1.553 64.748 63.200 -0.008 0.000 1.315 10 S HN -0.156 8.153 8.310 -0.001 0.000 0.637 11 T N -0.241 114.317 114.554 0.006 0.000 2.777 11 T HA -0.054 4.301 4.350 0.008 0.000 0.266 11 T C -0.241 174.478 174.700 0.031 0.000 1.040 11 T CA 2.181 64.287 62.100 0.010 0.000 1.141 11 T CB 0.498 69.365 68.868 -0.002 0.000 0.868 11 T HN -0.160 8.080 8.240 -0.001 0.000 0.444 12 T N -2.655 111.929 114.554 0.051 0.000 2.982 12 T HA 0.275 4.691 4.350 0.110 0.000 0.321 12 T C -2.567 172.210 174.700 0.128 0.000 1.229 12 T CA -3.243 58.926 62.100 0.115 0.000 1.044 12 T CB 1.642 70.602 68.868 0.153 0.000 1.184 12 T HN -0.728 7.534 8.240 0.037 0.000 0.477 13 P HA -0.040 4.378 4.420 -0.004 0.000 0.217 13 P C -0.542 176.785 177.300 0.044 0.000 1.151 13 P CA 0.488 63.604 63.100 0.027 0.000 0.828 13 P CB 0.682 32.347 31.700 -0.058 0.000 0.788 14 F N -0.278 119.672 119.950 -0.000 0.000 2.224 14 F HA -0.351 4.171 4.527 -0.008 0.000 0.374 14 F C -0.847 174.994 175.800 0.068 0.000 1.019 14 F CA 1.262 59.275 58.000 0.021 0.000 0.917 14 F CB -0.740 38.289 39.000 0.048 0.000 0.799 14 F HN -0.577 7.982 8.300 0.432 0.000 0.506 15 N N 1.780 120.554 118.700 0.124 0.000 2.531 15 N HA 0.647 5.615 4.740 0.191 -0.114 0.290 15 N C -1.664 173.982 175.510 0.228 0.000 1.257 15 N CA -1.086 52.039 53.050 0.124 0.000 0.863 15 N CB 3.873 42.297 38.487 -0.104 0.000 1.320 15 N HN -0.284 8.101 8.380 0.008 0.000 0.538 16 L N -2.556 118.897 121.223 0.383 0.000 2.705 16 L HA 0.255 4.850 4.340 0.424 0.000 0.260 16 L C -3.220 174.106 176.870 0.760 0.000 0.921 16 L CA 0.848 55.993 54.840 0.508 0.000 0.948 16 L CB 3.829 46.163 42.059 0.459 0.000 1.427 16 L HN 0.253 8.682 8.230 0.332 0.000 0.432 17 F N 6.968 127.155 119.950 0.396 0.000 2.397 17 F HA 0.566 5.361 4.527 0.261 -0.111 0.331 17 F C -2.142 173.683 175.800 0.041 0.000 1.090 17 F CA -3.249 54.748 58.000 -0.005 0.000 1.065 17 F CB 2.566 41.019 39.000 -0.912 0.000 1.184 17 F HN -0.332 8.213 8.300 0.635 0.136 0.499 18 I N 4.429 124.618 120.570 -0.636 0.000 2.382 18 I HA 0.674 4.827 4.170 -0.412 -0.229 0.285 18 I C -0.731 174.826 176.117 -0.935 0.000 1.007 18 I CA -1.614 59.341 61.300 -0.575 0.000 1.142 18 I CB 1.711 39.633 38.000 -0.130 0.000 1.289 18 I HN 0.688 8.613 8.210 -0.306 0.101 0.453 19 G N 4.516 112.752 108.800 -0.940 0.000 2.537 19 G HA2 0.443 4.157 3.960 -0.409 0.000 0.323 19 G HA3 0.443 4.248 3.960 -0.257 0.000 0.323 19 G C -1.662 173.157 174.900 -0.136 0.000 1.207 19 G CA -2.302 42.515 45.100 -0.472 0.000 0.976 19 G HN -0.014 7.872 8.290 -0.673 0.000 0.487 20 N N -0.347 118.330 118.700 -0.039 0.000 2.771 20 N HA -0.391 4.355 4.740 0.011 0.000 0.249 20 N C 0.015 175.509 175.510 -0.027 0.000 1.069 20 N CA 0.644 53.688 53.050 -0.010 0.000 0.688 20 N CB -0.402 38.088 38.487 0.005 0.000 0.928 20 N HN 0.564 8.939 8.380 -0.007 0.000 0.551 21 L N -2.280 118.923 121.223 -0.033 0.000 2.418 21 L HA -0.091 4.215 4.340 -0.056 0.000 0.218 21 L C -0.327 176.541 176.870 -0.003 0.000 1.125 21 L CA 0.690 55.507 54.840 -0.038 0.000 0.835 21 L CB 0.087 42.116 42.059 -0.049 0.000 0.953 21 L HN 0.134 8.347 8.230 -0.027 0.000 0.454 22 N N -5.087 113.620 118.700 0.011 0.000 2.520 22 N HA -0.123 4.632 4.740 0.025 0.000 0.277 22 N C -1.948 173.583 175.510 0.035 0.000 1.292 22 N CA -0.050 53.017 53.050 0.028 0.000 0.634 22 N CB 0.628 39.139 38.487 0.040 0.000 0.903 22 N HN -0.186 8.160 8.380 0.008 0.038 0.537 23 P HA 0.083 4.520 4.420 0.028 0.000 0.237 23 P C -1.504 175.813 177.300 0.028 0.000 1.701 23 P CA 0.356 63.472 63.100 0.027 0.000 0.955 23 P CB -1.213 30.499 31.700 0.021 0.000 1.937 24 N N 1.967 120.690 118.700 0.038 0.000 2.523 24 N HA -0.080 4.672 4.740 0.020 0.000 0.209 24 N C 1.028 176.554 175.510 0.026 0.000 1.039 24 N CA 0.729 53.797 53.050 0.029 0.000 1.002 24 N CB 1.341 39.846 38.487 0.031 0.000 1.270 24 N HN 0.315 8.644 8.380 0.051 0.082 0.481 25 K N 0.263 120.689 120.400 0.043 0.000 1.967 25 K HA -0.027 4.290 4.320 -0.004 0.000 0.212 25 K C 0.044 176.668 176.600 0.039 0.000 1.044 25 K CA 1.810 58.114 56.287 0.029 0.000 0.942 25 K CB 0.578 33.102 32.500 0.040 0.000 0.726 25 K HN 0.265 8.557 8.250 0.071 0.000 0.440 26 S N -3.478 112.264 115.700 0.069 0.000 2.354 26 S HA 0.059 4.549 4.470 0.033 0.000 0.306 26 S C -0.714 173.918 174.600 0.054 0.000 0.900 26 S CA -0.621 57.609 58.200 0.050 0.000 0.921 26 S CB 1.532 64.757 63.200 0.042 0.000 1.209 26 S HN -0.451 7.922 8.310 0.105 0.000 0.433 27 V N 5.735 125.667 119.914 0.029 0.000 2.226 27 V HA -0.539 3.587 4.120 0.009 0.000 0.254 27 V C 1.142 177.239 176.094 0.004 0.000 1.065 27 V CA 3.219 65.525 62.300 0.010 0.000 1.039 27 V CB -0.233 31.586 31.823 -0.006 0.000 0.653 27 V HN 0.444 8.649 8.190 0.024 0.000 0.450 28 A N -3.191 119.631 122.820 0.004 0.000 1.929 28 A HA -0.502 3.811 4.320 -0.011 0.000 0.221 28 A C 1.782 179.373 177.584 0.011 0.000 1.211 28 A CA 3.287 55.325 52.037 0.001 0.000 0.657 28 A CB -0.925 18.079 19.000 0.005 0.000 0.827 28 A HN 0.368 8.520 8.150 0.004 0.000 0.462 29 E N -1.204 119.020 120.200 0.040 0.000 2.047 29 E HA -0.240 4.144 4.350 0.057 0.000 0.191 29 E C 2.154 178.772 176.600 0.031 0.000 0.987 29 E CA 2.696 59.141 56.400 0.075 0.000 0.799 29 E CB -0.192 29.601 29.700 0.154 0.000 0.752 29 E HN -0.412 7.878 8.360 0.047 0.098 0.449 30 L N -1.485 119.748 121.223 0.018 0.000 1.990 30 L HA -0.449 3.746 4.340 -0.241 0.000 0.213 30 L C 2.300 179.087 176.870 -0.139 0.000 1.072 30 L CA 3.171 57.949 54.840 -0.103 0.000 0.755 30 L CB -0.566 41.462 42.059 -0.051 0.000 0.889 30 L HN 0.014 8.201 8.230 0.057 0.076 0.432 31 K N -1.849 118.505 120.400 -0.076 0.000 2.032 31 K HA -0.380 3.899 4.320 -0.070 0.000 0.209 31 K C 2.479 179.041 176.600 -0.063 0.000 1.048 31 K CA 3.112 59.361 56.287 -0.063 0.000 0.927 31 K CB -0.630 31.846 32.500 -0.040 0.000 0.712 31 K HN -0.018 8.203 8.250 -0.048 0.000 0.441 32 V N 1.047 120.931 119.914 -0.050 0.000 2.261 32 V HA -0.488 3.618 4.120 -0.023 0.000 0.246 32 V C 2.124 178.167 176.094 -0.085 0.000 1.047 32 V CA 2.513 64.789 62.300 -0.040 0.000 1.015 32 V CB -1.194 30.622 31.823 -0.011 0.000 0.642 32 V HN -0.506 7.595 8.190 -0.037 0.067 0.446 33 A N 0.521 123.257 122.820 -0.141 0.000 1.896 33 A HA -0.457 3.771 4.320 -0.154 0.000 0.220 33 A C 2.252 179.682 177.584 -0.256 0.000 1.206 33 A CA 3.343 55.237 52.037 -0.238 0.000 0.647 33 A CB -0.656 18.019 19.000 -0.541 0.000 0.828 33 A HN 0.487 8.449 8.150 -0.126 0.112 0.455 34 I N -3.836 116.567 120.570 -0.277 0.000 2.335 34 I HA -0.508 3.389 4.170 -0.455 0.000 0.251 34 I C 1.793 177.703 176.117 -0.345 0.000 1.129 34 I CA 4.303 65.384 61.300 -0.365 0.000 1.402 34 I CB -0.326 37.505 38.000 -0.282 0.000 1.069 34 I HN -0.384 7.680 8.210 -0.255 -0.007 0.424 35 S N 1.550 117.181 115.700 -0.115 0.000 2.380 35 S HA -0.456 4.117 4.470 0.171 0.000 0.213 35 S C 1.935 176.528 174.600 -0.011 0.000 1.037 35 S CA 3.662 61.874 58.200 0.019 0.000 1.034 35 S CB -0.419 62.794 63.200 0.023 0.000 1.022 35 S HN -0.506 7.595 8.310 -0.106 0.146 0.418 36 E N 2.043 122.223 120.200 -0.033 0.000 2.197 36 E HA -0.389 3.959 4.350 -0.003 0.000 0.205 36 E C 2.423 178.997 176.600 -0.044 0.000 1.029 36 E CA 2.870 59.254 56.400 -0.026 0.000 0.828 36 E CB -0.624 29.059 29.700 -0.028 0.000 0.737 36 E HN -0.259 8.080 8.360 -0.036 0.000 0.464 37 L N -0.714 120.436 121.223 -0.121 0.000 1.994 37 L HA -0.282 3.996 4.340 -0.104 0.000 0.208 37 L C 1.844 178.659 176.870 -0.092 0.000 1.071 37 L CA 3.447 58.189 54.840 -0.164 0.000 0.745 37 L CB -0.854 41.013 42.059 -0.321 0.000 0.892 37 L HN -0.325 7.781 8.230 -0.162 0.028 0.431 38 F N -2.550 117.362 119.950 -0.062 0.000 2.307 38 F HA -0.358 4.127 4.527 -0.070 0.000 0.301 38 F C 1.806 177.564 175.800 -0.071 0.000 1.076 38 F CA 2.168 60.116 58.000 -0.086 0.000 1.383 38 F CB -1.218 37.691 39.000 -0.150 0.000 1.055 38 F HN -0.092 7.985 8.300 -0.248 0.074 0.526 39 A N -1.689 121.199 122.820 0.114 0.000 1.878 39 A HA -0.055 4.295 4.320 0.050 0.000 0.213 39 A C 1.153 178.760 177.584 0.037 0.000 1.192 39 A CA 1.800 53.870 52.037 0.055 0.000 0.619 39 A CB 0.488 19.507 19.000 0.031 0.000 0.837 39 A HN -0.506 7.525 8.150 0.083 0.169 0.446 40 K N -3.731 116.684 120.400 0.024 0.000 2.487 40 K HA -0.078 4.251 4.320 0.016 0.000 0.192 40 K C 0.605 177.219 176.600 0.024 0.000 1.027 40 K CA 1.049 57.345 56.287 0.016 0.000 1.054 40 K CB -0.287 32.214 32.500 0.002 0.000 0.824 40 K HN -0.209 8.050 8.250 0.015 0.000 0.510 41 N N 0.115 118.843 118.700 0.047 0.000 2.313 41 N HA -0.005 4.762 4.740 0.046 0.000 0.207 41 N C -1.424 174.127 175.510 0.068 0.000 1.141 41 N CA 0.328 53.418 53.050 0.066 0.000 0.830 41 N CB 0.462 39.021 38.487 0.120 0.000 1.008 41 N HN -0.525 7.689 8.380 0.062 0.203 0.481 42 D N -3.386 117.041 120.400 0.046 0.000 2.990 42 D HA -0.323 4.331 4.640 0.023 0.000 0.245 42 D C -1.838 174.482 176.300 0.033 0.000 1.120 42 D CA 1.027 55.047 54.000 0.033 0.000 0.838 42 D CB -2.284 38.534 40.800 0.030 0.000 1.000 42 D HN -0.555 7.732 8.370 0.039 0.106 0.420 43 L N -7.387 113.849 121.223 0.023 0.000 3.176 43 L HA 0.353 4.687 4.340 -0.010 0.000 0.294 43 L C -2.467 174.387 176.870 -0.025 0.000 0.981 43 L CA 0.212 55.051 54.840 -0.003 0.000 1.015 43 L CB 1.797 43.856 42.059 0.001 0.000 1.591 43 L HN -0.868 7.376 8.230 0.023 0.000 0.371 44 A N -0.488 122.291 122.820 -0.068 0.000 2.893 44 A HA 0.345 4.633 4.320 -0.054 0.000 0.333 44 A C -1.594 175.898 177.584 -0.153 0.000 1.152 44 A CA -0.797 51.192 52.037 -0.080 0.000 0.782 44 A CB 0.508 19.472 19.000 -0.059 0.000 1.108 44 A HN -0.054 8.227 8.150 -0.084 -0.181 0.469 45 V N 4.158 123.946 119.914 -0.210 0.000 2.707 45 V HA -0.376 3.354 4.120 -0.650 0.000 0.291 45 V C -0.011 175.932 176.094 -0.251 0.000 1.002 45 V CA 1.433 63.505 62.300 -0.380 0.000 1.200 45 V CB -0.454 31.186 31.823 -0.305 0.000 0.854 45 V HN 0.119 8.229 8.190 -0.133 0.000 0.462 46 V N 7.450 127.208 119.914 -0.260 0.000 2.214 46 V HA -0.339 3.717 4.120 -0.107 0.000 0.247 46 V C 0.243 176.271 176.094 -0.110 0.000 1.051 46 V CA 2.919 65.135 62.300 -0.141 0.000 1.003 46 V CB 0.376 32.143 31.823 -0.094 0.000 0.635 46 V HN -0.105 7.873 8.190 -0.353 0.000 0.447 47 D N -2.964 117.365 120.400 -0.119 0.000 2.252 47 D HA 0.094 4.704 4.640 -0.050 0.000 0.245 47 D C -1.261 175.006 176.300 -0.055 0.000 1.009 47 D CA -0.949 53.011 54.000 -0.066 0.000 0.870 47 D CB 1.859 42.633 40.800 -0.044 0.000 1.251 47 D HN -0.509 7.715 8.370 -0.159 0.051 0.460 48 V N -3.486 116.422 119.914 -0.010 0.000 2.757 48 V HA 0.349 4.652 4.120 0.054 -0.150 0.262 48 V C -1.504 174.607 176.094 0.028 0.000 0.971 48 V CA -0.974 61.340 62.300 0.024 0.000 0.906 48 V CB 0.144 31.978 31.823 0.019 0.000 1.056 48 V HN 0.195 8.380 8.190 -0.009 0.000 0.489 49 R N 6.019 126.548 120.500 0.048 0.000 2.836 49 R HA 0.540 4.881 4.340 0.000 0.000 0.269 49 R C -1.382 174.901 176.300 -0.029 0.000 1.010 49 R CA -1.883 54.226 56.100 0.015 0.000 0.930 49 R CB 4.099 34.413 30.300 0.024 0.000 1.218 49 R HN 0.373 8.698 8.270 0.091 0.000 0.473 50 T N -0.517 113.987 114.554 -0.083 0.000 2.949 50 T HA 0.274 4.490 4.350 -0.223 0.000 0.287 50 T C -0.383 174.158 174.700 -0.266 0.000 1.034 50 T CA -1.369 60.626 62.100 -0.176 0.000 1.018 50 T CB 1.429 70.227 68.868 -0.116 0.000 1.135 50 T HN -0.005 8.200 8.240 -0.059 0.000 0.532 51 G N 0.119 108.682 108.800 -0.395 0.000 2.737 51 G HA2 0.387 4.205 3.960 -0.236 0.000 0.290 51 G HA3 0.387 3.960 3.960 -0.645 0.000 0.290 51 G C -2.064 172.715 174.900 -0.201 0.000 1.482 51 G CA -0.238 44.637 45.100 -0.376 0.000 1.017 51 G HN 0.222 8.276 8.290 -0.393 0.000 0.529 52 T N 3.181 117.675 114.554 -0.100 0.000 0.546 52 T HA -0.671 3.660 4.350 -0.032 0.000 0.773 52 T C 0.187 174.862 174.700 -0.042 0.000 0.992 52 T CA -0.117 61.956 62.100 -0.045 0.000 4.074 52 T CB 0.211 69.073 68.868 -0.010 0.000 2.301 52 T HN 0.067 8.253 8.240 -0.090 0.000 0.397 53 N N 3.822 122.506 118.700 -0.026 0.000 2.287 53 N HA -0.422 4.304 4.740 -0.023 0.000 0.195 53 N C -0.101 175.399 175.510 -0.016 0.000 0.922 53 N CA 2.643 55.682 53.050 -0.019 0.000 0.929 53 N CB 0.147 38.630 38.487 -0.007 0.000 1.068 53 N HN 0.484 8.851 8.380 -0.021 0.000 0.696 54 R N -4.748 115.748 120.500 -0.007 0.000 2.638 54 R HA 0.069 4.406 4.340 -0.004 0.000 0.269 54 R C -1.253 175.062 176.300 0.025 0.000 1.393 54 R CA -0.535 55.568 56.100 0.005 0.000 1.531 54 R CB 0.183 30.491 30.300 0.012 0.000 1.327 54 R HN -0.300 7.947 8.270 -0.003 0.021 0.709 55 K N 1.202 121.615 120.400 0.022 0.000 2.290 55 K HA 0.362 4.751 4.320 0.115 0.000 0.225 55 K C -1.170 175.543 176.600 0.189 0.000 1.060 55 K CA 0.339 56.686 56.287 0.100 0.000 0.903 55 K CB 2.513 35.071 32.500 0.096 0.000 1.158 55 K HN 0.258 8.495 8.250 -0.021 0.000 0.460 56 F N -6.931 112.993 119.950 -0.042 0.000 2.978 56 F HA 0.224 4.639 4.527 -0.187 0.000 0.324 56 F C -2.692 173.028 175.800 -0.134 0.000 1.157 56 F CA -0.748 57.161 58.000 -0.152 0.000 0.879 56 F CB 1.669 40.540 39.000 -0.215 0.000 1.364 56 F HN -0.424 7.778 8.300 -0.164 0.000 0.465 57 G N -2.696 106.049 108.800 -0.091 0.000 2.590 57 G HA2 0.387 4.200 3.960 -0.384 0.000 0.310 57 G HA3 0.387 4.315 3.960 -0.054 0.000 0.310 57 G C -3.053 171.977 174.900 0.218 0.000 1.347 57 G CA -1.115 43.899 45.100 -0.143 0.000 0.963 57 G HN -0.151 8.234 8.290 0.158 0.000 0.494 58 Y N 4.539 124.920 120.300 0.135 0.000 2.403 58 Y HA 0.571 5.559 4.550 0.547 -0.110 0.323 58 Y C -1.399 174.612 175.900 0.185 0.000 1.226 58 Y CA -1.853 56.463 58.100 0.360 0.000 1.235 58 Y CB 4.091 42.775 38.460 0.373 0.000 1.248 58 Y HN 0.194 8.509 8.280 0.058 0.000 0.489 59 V N -0.641 119.550 119.914 0.462 0.000 3.023 59 V HA 0.252 4.469 4.120 0.079 -0.050 0.294 59 V C -2.929 173.223 176.094 0.096 0.000 1.324 59 V CA -1.135 61.260 62.300 0.158 0.000 0.979 59 V CB 4.153 36.027 31.823 0.085 0.000 1.093 59 V HN 0.075 8.689 8.190 0.707 0.000 0.434 60 D N 5.199 125.573 120.400 -0.042 0.000 2.252 60 D HA 0.436 5.370 4.640 0.186 -0.182 0.245 60 D C -0.818 175.432 176.300 -0.084 0.000 1.009 60 D CA -1.116 52.905 54.000 0.036 0.000 0.870 60 D CB 3.356 44.158 40.800 0.004 0.000 1.251 60 D HN -0.317 7.943 8.370 -0.103 0.047 0.460 61 F N 2.699 122.615 119.950 -0.055 0.000 2.425 61 F HA 0.172 4.567 4.527 -0.220 0.000 0.331 61 F C 0.542 176.263 175.800 -0.130 0.000 1.085 61 F CA -1.060 56.865 58.000 -0.125 0.000 1.028 61 F CB 2.072 41.024 39.000 -0.080 0.000 1.177 61 F HN 0.714 9.188 8.300 0.495 0.123 0.487 62 E N 0.495 120.670 120.200 -0.041 0.000 2.097 62 E HA -0.380 3.923 4.350 -0.078 0.000 0.196 62 E C -0.412 176.063 176.600 -0.209 0.000 1.000 62 E CA 2.672 59.014 56.400 -0.098 0.000 0.804 62 E CB 0.616 30.257 29.700 -0.098 0.000 0.740 62 E HN 0.369 8.677 8.360 -0.086 0.000 0.454 63 S N -7.663 107.802 115.700 -0.391 0.000 2.703 63 S HA 0.008 3.336 4.470 -1.905 0.000 0.270 63 S C -0.811 173.255 174.600 -0.890 0.000 0.972 63 S CA -0.775 56.835 58.200 -0.983 0.000 0.949 63 S CB 0.175 63.045 63.200 -0.549 0.000 1.209 63 S HN -0.827 7.341 8.310 -0.222 0.009 0.464 64 A N 2.843 125.022 122.820 -1.069 0.000 2.023 64 A HA -0.396 3.831 4.320 -0.154 0.000 0.223 64 A C 1.526 179.005 177.584 -0.175 0.000 1.180 64 A CA 3.279 55.121 52.037 -0.325 0.000 0.659 64 A CB -0.600 18.369 19.000 -0.052 0.000 0.817 64 A HN 0.725 7.965 8.150 -1.517 0.000 0.466 65 E N -1.850 118.238 120.200 -0.186 0.000 1.998 65 E HA -0.276 4.039 4.350 -0.058 0.000 0.196 65 E C 1.163 177.736 176.600 -0.046 0.000 1.003 65 E CA 3.197 59.543 56.400 -0.090 0.000 0.829 65 E CB -0.631 29.018 29.700 -0.085 0.000 0.777 65 E HN -0.568 7.592 8.360 -0.265 0.040 0.460 66 D N -1.235 119.141 120.400 -0.041 0.000 2.182 66 D HA -0.255 4.413 4.640 0.046 0.000 0.201 66 D C 2.403 178.806 176.300 0.171 0.000 0.986 66 D CA 3.606 57.636 54.000 0.049 0.000 0.847 66 D CB -0.535 40.279 40.800 0.024 0.000 0.942 66 D HN 0.108 8.423 8.370 -0.091 0.000 0.467 67 L N -0.389 120.897 121.223 0.105 0.000 2.027 67 L HA -0.371 4.010 4.340 0.069 0.000 0.206 67 L C 1.107 177.964 176.870 -0.022 0.000 1.074 67 L CA 3.583 58.413 54.840 -0.016 0.000 0.745 67 L CB 0.066 42.007 42.059 -0.197 0.000 0.898 67 L HN 0.457 8.545 8.230 -0.030 0.125 0.433 68 E N -1.019 119.174 120.200 -0.011 0.000 2.038 68 E HA -0.479 3.869 4.350 -0.003 0.000 0.195 68 E C 2.461 179.083 176.600 0.038 0.000 1.000 68 E CA 3.675 60.078 56.400 0.006 0.000 0.803 68 E CB -0.313 29.388 29.700 0.002 0.000 0.750 68 E HN -0.067 8.158 8.360 -0.030 0.118 0.448 69 K N -1.451 118.983 120.400 0.056 0.000 2.044 69 K HA -0.316 4.036 4.320 0.053 0.000 0.210 69 K C 2.227 178.894 176.600 0.113 0.000 1.049 69 K CA 2.622 58.953 56.287 0.073 0.000 0.927 69 K CB -0.478 32.066 32.500 0.072 0.000 0.713 69 K HN -0.502 7.776 8.250 0.046 0.000 0.443 70 A N -0.207 122.724 122.820 0.185 0.000 1.834 70 A HA -0.199 4.436 4.320 0.268 -0.154 0.216 70 A C 2.633 180.323 177.584 0.177 0.000 1.203 70 A CA 2.770 54.973 52.037 0.277 0.000 0.621 70 A CB -0.648 18.699 19.000 0.577 0.000 0.841 70 A HN -0.575 7.694 8.150 0.198 0.000 0.446 71 L N -1.618 119.672 121.223 0.112 0.000 2.103 71 L HA -0.451 3.933 4.340 0.074 0.000 0.215 71 L C 1.922 178.826 176.870 0.056 0.000 1.080 71 L CA 3.058 57.935 54.840 0.061 0.000 0.764 71 L CB -0.072 41.993 42.059 0.010 0.000 0.890 71 L HN -0.252 8.029 8.230 0.084 0.000 0.435 72 E N -2.598 117.635 120.200 0.055 0.000 2.106 72 E HA -0.264 4.106 4.350 0.033 0.000 0.192 72 E C 1.254 177.881 176.600 0.045 0.000 0.984 72 E CA 2.092 58.518 56.400 0.042 0.000 0.806 72 E CB 0.475 30.198 29.700 0.038 0.000 0.750 72 E HN -0.518 7.774 8.360 0.061 0.105 0.458 73 L N -0.320 120.940 121.223 0.062 0.000 2.598 73 L HA 0.181 4.543 4.340 0.037 0.000 0.241 73 L C -0.527 176.372 176.870 0.049 0.000 1.244 73 L CA -1.357 53.514 54.840 0.052 0.000 1.198 73 L CB -1.374 40.720 42.059 0.058 0.000 1.448 73 L HN -0.128 8.017 8.230 0.082 0.135 0.406 74 T N 3.008 117.585 114.554 0.039 0.000 2.399 74 T HA -0.424 3.952 4.350 0.045 0.000 0.242 74 T C 1.104 175.811 174.700 0.011 0.000 1.348 74 T CA 3.577 65.695 62.100 0.031 0.000 1.200 74 T CB 0.307 69.187 68.868 0.021 0.000 0.862 74 T HN -0.663 7.548 8.240 0.035 0.051 0.404 75 G N -1.332 107.467 108.800 -0.001 0.000 2.868 75 G HA2 -0.348 3.603 3.960 -0.015 0.000 0.368 75 G HA3 -0.348 3.598 3.960 -0.024 0.000 0.368 75 G C 0.169 175.041 174.900 -0.047 0.000 1.209 75 G CA 0.608 45.696 45.100 -0.021 0.000 1.065 75 G HN 0.023 8.317 8.290 0.006 0.000 0.679 76 L N -1.106 120.066 121.223 -0.086 0.000 5.518 76 L HA -0.430 3.774 4.340 -0.227 0.000 0.053 76 L C -0.866 175.918 176.870 -0.143 0.000 2.611 76 L CA 1.090 55.841 54.840 -0.149 0.000 1.669 76 L CB -0.386 41.607 42.059 -0.110 0.000 2.768 76 L HN 0.214 8.394 8.230 -0.082 0.000 0.930 77 K N -3.748 116.578 120.400 -0.123 0.000 7.454 77 K HA -0.375 3.889 4.320 -0.093 0.000 0.649 77 K C 1.081 177.557 176.600 -0.208 0.000 2.590 77 K CA 0.458 56.676 56.287 -0.115 0.000 1.946 77 K CB 0.367 32.830 32.500 -0.062 0.000 2.011 77 K HN -0.310 7.878 8.250 -0.103 0.000 0.289 78 V N -1.190 118.591 119.914 -0.222 0.000 2.343 78 V HA -0.255 3.555 4.120 -0.516 0.000 0.247 78 V C -0.369 175.272 176.094 -0.754 0.000 1.051 78 V CA 2.440 64.483 62.300 -0.430 0.000 1.036 78 V CB 0.483 32.165 31.823 -0.235 0.000 0.654 78 V HN 0.287 8.393 8.190 -0.140 0.000 0.451 79 F N -4.928 115.002 119.950 -0.033 0.000 2.381 79 F HA 0.142 4.650 4.527 -0.031 0.000 0.400 79 F C -0.134 175.653 175.800 -0.022 0.000 0.822 79 F CA 0.289 58.272 58.000 -0.028 0.000 0.926 79 F CB 1.821 40.807 39.000 -0.024 0.000 1.080 79 F HN -0.363 7.925 8.300 -0.019 0.000 0.604 80 G N -1.895 107.001 108.800 0.160 0.000 2.570 80 G HA2 -0.035 3.970 3.960 0.075 0.000 0.213 80 G HA3 -0.035 3.977 3.960 0.086 0.000 0.213 80 G C -0.966 173.962 174.900 0.047 0.000 1.391 80 G CA -0.417 44.735 45.100 0.087 0.000 0.533 80 G HN 0.072 8.453 8.290 0.152 0.000 1.072 81 N N 1.733 120.460 118.700 0.044 0.000 2.520 81 N HA 0.016 4.769 4.740 0.021 0.000 0.273 81 N C -0.823 174.690 175.510 0.005 0.000 1.155 81 N CA 0.076 53.140 53.050 0.023 0.000 0.967 81 N CB 0.672 39.174 38.487 0.025 0.000 1.092 81 N HN -0.231 8.187 8.380 0.064 0.000 0.457 82 E N 1.625 121.826 120.200 0.002 0.000 2.416 82 E HA -0.087 4.253 4.350 -0.016 0.000 0.254 82 E C -1.225 175.368 176.600 -0.012 0.000 1.241 82 E CA 0.299 56.695 56.400 -0.007 0.000 0.969 82 E CB 1.054 30.755 29.700 0.002 0.000 0.999 82 E HN 0.107 8.471 8.360 0.007 0.000 0.481 83 I N -6.451 114.109 120.570 -0.016 0.000 3.322 83 I HA 0.391 4.598 4.170 -0.020 -0.050 0.313 83 I C -1.560 174.560 176.117 0.004 0.000 1.129 83 I CA -2.498 58.789 61.300 -0.022 0.000 0.963 83 I CB 3.499 41.465 38.000 -0.056 0.000 1.273 83 I HN -0.145 8.057 8.210 -0.013 0.000 0.473 84 K N 0.321 120.726 120.400 0.008 0.000 2.235 84 K HA 0.296 4.656 4.320 0.066 0.000 0.266 84 K C -1.379 175.285 176.600 0.108 0.000 0.980 84 K CA -1.151 55.180 56.287 0.074 0.000 0.849 84 K CB 2.141 34.725 32.500 0.141 0.000 1.098 84 K HN -0.012 8.217 8.250 -0.034 0.000 0.445 85 L N 4.338 125.640 121.223 0.131 0.000 2.294 85 L HA 0.711 5.376 4.340 0.205 -0.202 0.283 85 L C -0.521 176.461 176.870 0.185 0.000 1.015 85 L CA -1.002 53.942 54.840 0.174 0.000 0.831 85 L CB 0.496 42.639 42.059 0.138 0.000 1.217 85 L HN 0.413 8.704 8.230 0.101 0.000 0.420 86 E N 2.875 123.246 120.200 0.286 0.000 2.419 86 E HA 0.235 4.647 4.350 0.104 0.000 0.285 86 E C -2.139 174.547 176.600 0.143 0.000 1.079 86 E CA -0.705 55.784 56.400 0.148 0.000 0.864 86 E CB 2.972 32.688 29.700 0.025 0.000 1.216 86 E HN 0.155 8.784 8.360 0.449 0.000 0.428 87 K N 0.168 120.625 120.400 0.095 0.000 2.530 87 K HA 0.506 4.933 4.320 0.178 0.000 0.230 87 K C -1.963 174.642 176.600 0.008 0.000 1.002 87 K CA -2.625 53.764 56.287 0.170 0.000 1.014 87 K CB -0.379 32.312 32.500 0.319 0.000 1.286 87 K HN 0.307 8.592 8.250 0.058 0.000 0.480 88 P HA 0.230 4.587 4.420 -0.105 0.000 0.264 88 P C 0.208 177.453 177.300 -0.092 0.000 1.259 88 P CA -0.129 62.878 63.100 -0.155 0.000 0.841 88 P CB 0.718 32.250 31.700 -0.280 0.000 1.232 89 K N 1.084 121.475 120.400 -0.015 0.000 1.992 89 K HA -0.231 4.091 4.320 0.004 0.000 0.227 89 K C 1.806 178.440 176.600 0.056 0.000 1.016 89 K CA 1.471 57.804 56.287 0.077 0.000 1.059 89 K CB -0.148 32.562 32.500 0.350 0.000 0.752 89 K HN -0.458 7.752 8.250 0.015 0.050 0.449 90 G N -3.020 105.828 108.800 0.078 0.000 2.179 90 G HA2 -0.333 3.630 3.960 0.005 0.000 0.260 90 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 90 G C -0.596 174.319 174.900 0.024 0.000 0.977 90 G CA 0.177 45.290 45.100 0.022 0.000 0.641 90 G HN 0.324 8.695 8.290 0.135 0.000 0.533 91 R N -1.090 119.443 120.500 0.054 0.000 3.034 91 R HA 0.112 4.474 4.340 0.036 0.000 0.264 91 R C -2.531 173.816 176.300 0.078 0.000 1.030 91 R CA -0.862 55.267 56.100 0.048 0.000 0.903 91 R CB 2.192 32.508 30.300 0.026 0.000 1.414 91 R HN -0.575 7.664 8.270 0.087 0.083 0.429 92 D N 0.618 121.055 120.400 0.061 0.000 2.602 92 D HA 0.351 5.050 4.640 0.098 0.000 0.245 92 D C -0.721 175.608 176.300 0.048 0.000 1.325 92 D CA -0.003 54.040 54.000 0.071 0.000 0.952 92 D CB 1.591 42.432 40.800 0.067 0.000 1.317 92 D HN 0.301 8.698 8.370 0.044 0.000 0.577 93 S N 1.488 117.215 115.700 0.045 0.000 2.497 93 S HA 0.018 4.497 4.470 0.014 0.000 0.221 93 S C -0.070 174.537 174.600 0.013 0.000 1.037 93 S CA 0.953 59.164 58.200 0.019 0.000 0.920 93 S CB 1.069 64.270 63.200 0.003 0.000 0.800 93 S HN 0.231 8.579 8.310 0.062 0.000 0.505 94 K N 0.173 120.591 120.400 0.031 0.000 2.132 94 K HA 0.082 4.407 4.320 0.008 0.000 0.241 94 K C -0.097 176.521 176.600 0.030 0.000 1.000 94 K CA -1.291 55.010 56.287 0.024 0.000 0.911 94 K CB 0.557 33.077 32.500 0.033 0.000 1.093 94 K HN -0.819 7.461 8.250 0.051 0.000 0.460 95 K N -1.262 119.152 120.400 0.024 0.000 3.048 95 K HA -0.254 4.080 4.320 0.024 0.000 0.274 95 K C -1.302 175.317 176.600 0.032 0.000 1.098 95 K CA 1.347 57.650 56.287 0.026 0.000 0.807 95 K CB -1.327 31.188 32.500 0.025 0.000 1.217 95 K HN 0.574 8.835 8.250 0.019 0.000 0.477 96 V N -8.495 111.439 119.914 0.034 0.000 3.337 96 V HA 0.210 4.354 4.120 0.040 0.000 0.307 96 V C -0.353 175.772 176.094 0.051 0.000 1.505 96 V CA -0.997 61.327 62.300 0.040 0.000 1.072 96 V CB 1.204 33.050 31.823 0.038 0.000 0.929 96 V HN -0.559 7.590 8.190 0.029 0.059 0.455 97 R N -1.187 119.345 120.500 0.053 0.000 3.569 97 R HA -0.398 3.986 4.340 0.073 0.000 0.260 97 R C -0.901 175.460 176.300 0.102 0.000 1.078 97 R CA 1.164 57.313 56.100 0.081 0.000 0.716 97 R CB -2.420 27.941 30.300 0.102 0.000 1.088 97 R HN 0.091 8.386 8.270 0.041 0.000 0.473 98 A N -6.161 116.698 122.820 0.065 0.000 2.416 98 A HA -0.375 3.974 4.320 0.048 0.000 0.293 98 A C -0.316 177.327 177.584 0.099 0.000 1.452 98 A CA 0.480 52.562 52.037 0.074 0.000 0.738 98 A CB -1.094 17.961 19.000 0.092 0.000 1.123 98 A HN 0.121 8.258 8.150 0.040 0.037 0.389 99 A N 0.602 123.468 122.820 0.076 0.000 2.592 99 A HA -0.287 4.177 4.320 0.075 -0.099 0.250 99 A C -0.224 177.409 177.584 0.082 0.000 1.017 99 A CA 1.217 53.297 52.037 0.071 0.000 0.794 99 A CB -0.138 18.893 19.000 0.051 0.000 0.917 99 A HN -0.275 7.913 8.150 0.063 0.000 0.515 100 R N -2.940 117.611 120.500 0.085 0.000 3.223 100 R HA -0.410 3.977 4.340 0.079 0.000 0.262 100 R C -1.039 175.346 176.300 0.143 0.000 1.052 100 R CA 0.764 56.924 56.100 0.099 0.000 0.700 100 R CB -3.170 27.187 30.300 0.096 0.000 1.217 100 R HN 0.295 8.612 8.270 0.077 0.000 0.408 101 T N -2.336 112.304 114.554 0.142 0.000 2.864 101 T HA 0.281 4.838 4.350 0.190 -0.093 0.289 101 T C -2.442 172.311 174.700 0.088 0.000 1.082 101 T CA -1.746 60.453 62.100 0.165 0.000 1.009 101 T CB 2.390 71.401 68.868 0.238 0.000 1.234 101 T HN -0.296 8.026 8.240 0.137 0.000 0.526 102 L N 0.887 122.121 121.223 0.019 0.000 2.528 102 L HA 0.673 5.105 4.340 -0.075 -0.137 0.267 102 L C -2.436 174.258 176.870 -0.293 0.000 0.961 102 L CA -1.247 53.513 54.840 -0.134 0.000 0.866 102 L CB 1.201 43.092 42.059 -0.279 0.000 1.248 102 L HN 0.904 9.080 8.230 0.091 0.108 0.404 103 L N 3.326 124.256 121.223 -0.490 0.000 2.307 103 L HA 0.341 4.041 4.340 -1.066 0.000 0.282 103 L C -2.755 173.920 176.870 -0.325 0.000 1.051 103 L CA -1.102 53.210 54.840 -0.879 0.000 0.804 103 L CB 3.163 44.374 42.059 -1.413 0.000 1.197 103 L HN 0.432 8.468 8.230 -0.323 0.000 0.431 104 A N 5.478 128.171 122.820 -0.211 0.000 2.287 104 A HA 0.562 5.054 4.320 0.049 -0.143 0.317 104 A C -1.643 175.936 177.584 -0.008 0.000 1.220 104 A CA -1.805 50.231 52.037 -0.003 0.000 0.835 104 A CB 1.424 20.504 19.000 0.133 0.000 1.180 104 A HN 0.684 8.570 8.150 -0.270 0.103 0.500 105 K N 2.475 122.897 120.400 0.036 0.000 2.177 105 K HA 0.145 4.454 4.320 -0.019 0.000 0.238 105 K C -0.373 176.223 176.600 -0.006 0.000 1.015 105 K CA -0.995 55.300 56.287 0.013 0.000 0.922 105 K CB 2.438 34.962 32.500 0.040 0.000 1.127 105 K HN -0.278 7.889 8.250 0.093 0.139 0.469 106 N N -2.405 116.269 118.700 -0.044 0.000 2.408 106 N HA -0.353 4.320 4.740 -0.113 0.000 0.293 106 N C -1.644 173.775 175.510 -0.151 0.000 1.433 106 N CA 1.319 54.316 53.050 -0.088 0.000 0.637 106 N CB -0.955 37.510 38.487 -0.036 0.000 0.941 106 N HN 0.352 8.706 8.380 -0.043 0.000 0.499 107 L N -0.239 120.800 121.223 -0.306 0.000 2.286 107 L HA 0.351 4.571 4.340 -0.201 0.000 0.265 107 L C -0.229 176.268 176.870 -0.621 0.000 1.012 107 L CA -1.962 52.665 54.840 -0.354 0.000 0.818 107 L CB 2.674 44.552 42.059 -0.300 0.000 1.337 107 L HN -0.466 7.532 8.230 -0.388 0.000 0.438 108 S N -0.815 114.668 115.700 -0.362 0.000 2.634 108 S HA -0.084 4.302 4.470 -0.141 0.000 0.221 108 S C -0.336 174.302 174.600 0.064 0.000 0.952 108 S CA -0.037 58.068 58.200 -0.159 0.000 0.930 108 S CB -0.308 62.902 63.200 0.017 0.000 0.780 108 S HN 0.269 8.453 8.310 -0.211 0.000 0.498 109 F N -5.259 114.706 119.950 0.025 0.000 3.048 109 F HA -0.336 4.207 4.527 0.026 0.000 0.287 109 F C -1.203 174.610 175.800 0.023 0.000 0.796 109 F CA 0.636 58.650 58.000 0.023 0.000 1.111 109 F CB -2.283 36.728 39.000 0.019 0.000 1.320 109 F HN 0.116 7.913 8.300 -0.681 0.094 0.430 110 N N -4.500 114.278 118.700 0.130 0.000 2.297 110 N HA 0.090 4.886 4.740 0.092 0.000 0.244 110 N C -1.313 174.231 175.510 0.056 0.000 1.412 110 N CA -0.270 52.838 53.050 0.097 0.000 0.837 110 N CB 1.620 40.171 38.487 0.107 0.000 1.336 110 N HN -0.028 8.328 8.380 0.060 0.060 0.508 111 I N 1.204 121.794 120.570 0.033 0.000 2.834 111 I HA 0.191 4.380 4.170 0.032 0.000 0.305 111 I C 0.239 176.378 176.117 0.037 0.000 1.008 111 I CA -0.884 60.434 61.300 0.028 0.000 1.273 111 I CB 1.106 39.114 38.000 0.012 0.000 1.432 111 I HN -0.195 8.027 8.210 0.020 0.000 0.557 112 T N 0.270 114.850 114.554 0.043 0.000 2.589 112 T HA 0.220 4.595 4.350 0.042 0.000 0.261 112 T C -0.029 174.705 174.700 0.057 0.000 0.936 112 T CA -1.202 60.925 62.100 0.045 0.000 1.202 112 T CB 1.598 70.489 68.868 0.038 0.000 1.576 112 T HN -0.424 7.843 8.240 0.045 0.000 0.464 113 E N -0.624 119.607 120.200 0.051 0.000 2.318 113 E HA -0.093 4.302 4.350 0.075 0.000 0.193 113 E C 1.499 178.140 176.600 0.067 0.000 0.998 113 E CA 2.286 58.722 56.400 0.061 0.000 0.859 113 E CB 0.183 29.910 29.700 0.044 0.000 0.812 113 E HN 0.266 8.651 8.360 0.042 0.000 0.492 114 D N 0.318 120.749 120.400 0.052 0.000 2.095 114 D HA -0.323 4.343 4.640 0.043 0.000 0.192 114 D C 2.230 178.562 176.300 0.053 0.000 0.990 114 D CA 3.983 58.010 54.000 0.046 0.000 0.836 114 D CB 0.160 40.980 40.800 0.034 0.000 0.979 114 D HN -0.383 8.015 8.370 0.045 0.000 0.447 115 E N -0.867 119.363 120.200 0.051 0.000 2.110 115 E HA -0.233 4.135 4.350 0.029 0.000 0.193 115 E C 2.359 179.007 176.600 0.080 0.000 0.988 115 E CA 2.610 59.037 56.400 0.045 0.000 0.804 115 E CB -0.175 29.545 29.700 0.032 0.000 0.745 115 E HN 0.036 8.424 8.360 0.047 0.000 0.458 116 L N -1.429 119.874 121.223 0.133 0.000 1.921 116 L HA -0.405 4.140 4.340 0.343 0.000 0.219 116 L C 1.556 178.644 176.870 0.362 0.000 1.081 116 L CA 3.084 58.087 54.840 0.273 0.000 0.771 116 L CB -0.175 42.010 42.059 0.210 0.000 0.888 116 L HN -0.655 7.627 8.230 0.105 0.011 0.433 117 K N -2.682 117.863 120.400 0.240 0.000 2.286 117 K HA -0.451 4.045 4.320 0.293 0.000 0.203 117 K C 1.977 178.676 176.600 0.166 0.000 1.045 117 K CA 2.834 59.249 56.287 0.214 0.000 0.935 117 K CB -0.773 31.795 32.500 0.114 0.000 0.737 117 K HN -0.025 8.229 8.250 0.169 0.098 0.460 118 E N -0.726 119.541 120.200 0.112 0.000 2.047 118 E HA -0.253 4.124 4.350 0.046 0.000 0.191 118 E C 1.650 178.253 176.600 0.006 0.000 0.987 118 E CA 2.644 59.073 56.400 0.049 0.000 0.799 118 E CB -0.013 29.703 29.700 0.027 0.000 0.752 118 E HN -0.641 7.644 8.360 0.117 0.145 0.449 119 V N -1.523 118.358 119.914 -0.055 0.000 2.407 119 V HA -0.250 3.762 4.120 -0.179 0.000 0.245 119 V C -0.237 175.683 176.094 -0.290 0.000 1.041 119 V CA 2.035 64.184 62.300 -0.252 0.000 1.040 119 V CB 0.892 32.423 31.823 -0.487 0.000 0.671 119 V HN -0.480 7.619 8.190 -0.002 0.090 0.455 120 F N -3.331 116.656 119.950 0.062 0.000 2.192 120 F HA -0.149 4.448 4.527 0.118 0.000 0.269 120 F C -0.120 175.742 175.800 0.105 0.000 0.946 120 F CA 0.934 59.004 58.000 0.118 0.000 1.139 120 F CB 0.733 39.845 39.000 0.186 0.000 1.877 120 F HN -0.541 7.843 8.300 0.139 0.000 0.571 121 E N -5.054 115.369 120.200 0.371 0.000 1.790 121 E HA 0.009 4.434 4.350 0.126 0.000 0.239 121 E C -1.358 175.260 176.600 0.030 0.000 1.072 121 E CA 0.659 57.156 56.400 0.162 0.000 1.530 121 E CB 1.485 31.259 29.700 0.123 0.000 4.031 121 E HN 0.015 8.698 8.360 0.538 0.000 0.911 122 D N -0.060 120.327 120.400 -0.022 0.000 2.319 122 D HA 0.010 4.445 4.640 -0.341 0.000 0.230 122 D C -1.181 174.333 176.300 -1.309 0.000 1.094 122 D CA 0.764 54.441 54.000 -0.539 0.000 0.856 122 D CB 0.249 40.777 40.800 -0.454 0.000 0.915 122 D HN 0.008 8.537 8.370 0.265 0.000 0.517 123 A N -2.101 120.370 122.820 -0.580 0.000 2.395 123 A HA -0.023 4.093 4.320 -0.527 -0.113 0.286 123 A C -0.307 177.131 177.584 -0.243 0.000 1.193 123 A CA 0.079 51.924 52.037 -0.320 0.000 0.852 123 A CB -0.366 18.660 19.000 0.043 0.000 1.118 123 A HN -0.392 7.572 8.150 -0.124 0.112 0.524 124 L N 3.280 124.355 121.223 -0.246 0.000 2.209 124 L HA -0.064 4.196 4.340 -0.134 0.000 0.207 124 L C 0.525 177.362 176.870 -0.056 0.000 1.094 124 L CA 1.458 56.217 54.840 -0.135 0.000 0.790 124 L CB 0.447 42.433 42.059 -0.122 0.000 0.932 124 L HN -0.227 7.820 8.230 -0.305 0.000 0.447 125 E N -1.110 119.078 120.200 -0.020 0.000 2.255 125 E HA 0.156 4.502 4.350 -0.007 0.000 0.245 125 E C -1.892 174.712 176.600 0.008 0.000 0.909 125 E CA -1.407 54.995 56.400 0.004 0.000 0.747 125 E CB 1.067 30.782 29.700 0.025 0.000 1.215 125 E HN -0.631 7.725 8.360 -0.005 0.000 0.424 126 I N 5.427 125.996 120.570 -0.003 0.000 2.304 126 I HA 0.061 4.214 4.170 -0.029 0.000 0.291 126 I C -0.472 175.655 176.117 0.016 0.000 1.018 126 I CA -0.147 61.150 61.300 -0.004 0.000 1.260 126 I CB 0.216 38.219 38.000 0.005 0.000 1.390 126 I HN 0.472 8.679 8.210 -0.005 0.000 0.475 127 R N 7.193 127.712 120.500 0.032 0.000 2.604 127 R HA 0.452 4.812 4.340 0.033 0.000 0.281 127 R C -2.224 174.114 176.300 0.063 0.000 1.020 127 R CA -1.465 54.662 56.100 0.044 0.000 0.899 127 R CB 3.947 34.273 30.300 0.042 0.000 1.205 127 R HN 0.220 8.507 8.270 0.029 0.000 0.450 128 L N -1.554 119.701 121.223 0.053 0.000 2.346 128 L HA 0.362 4.741 4.340 0.065 0.000 0.274 128 L C -1.703 175.198 176.870 0.051 0.000 1.007 128 L CA -1.294 53.579 54.840 0.054 0.000 0.818 128 L CB 1.974 44.059 42.059 0.043 0.000 1.284 128 L HN 0.226 8.481 8.230 0.042 0.000 0.424 129 V N 3.817 123.764 119.914 0.055 0.000 2.266 129 V HA 0.314 4.461 4.120 0.045 0.000 0.271 129 V C -1.537 174.583 176.094 0.042 0.000 1.032 129 V CA -0.816 61.515 62.300 0.051 0.000 0.806 129 V CB -1.276 30.587 31.823 0.066 0.000 1.052 129 V HN 0.162 8.293 8.190 0.055 0.092 0.449 130 S N 4.148 119.876 115.700 0.046 0.000 2.284 130 S HA 0.185 4.698 4.470 0.073 0.000 0.220 130 S C -1.760 172.883 174.600 0.071 0.000 0.692 130 S CA 0.243 58.480 58.200 0.062 0.000 0.895 130 S CB 0.126 63.352 63.200 0.043 0.000 1.346 130 S HN 0.185 8.522 8.310 0.044 0.000 0.391 131 Q N 3.501 123.342 119.800 0.068 0.000 2.795 131 Q HA 0.203 4.586 4.340 0.072 0.000 0.220 131 Q C -1.296 174.735 176.000 0.051 0.000 0.795 131 Q CA -0.333 55.506 55.803 0.061 0.000 0.875 131 Q CB 1.107 29.873 28.738 0.046 0.000 1.467 131 Q HN -0.157 8.151 8.270 0.065 0.000 0.449 132 D N 2.999 123.432 120.400 0.054 0.000 3.347 132 D HA -0.360 4.303 4.640 0.039 0.000 0.234 132 D C 0.813 177.135 176.300 0.037 0.000 1.753 132 D CA 1.362 55.386 54.000 0.040 0.000 1.103 132 D CB -0.654 40.164 40.800 0.030 0.000 0.762 132 D HN 0.166 8.576 8.370 0.066 0.000 0.910 133 G N -1.236 107.581 108.800 0.028 0.000 2.424 133 G HA2 -0.307 3.666 3.960 0.021 0.000 0.290 133 G HA3 -0.307 3.668 3.960 0.024 0.000 0.290 133 G C -1.240 173.677 174.900 0.029 0.000 0.912 133 G CA 1.025 46.141 45.100 0.025 0.000 1.142 133 G HN -0.008 8.296 8.290 0.024 0.000 0.501 134 K N -3.452 116.967 120.400 0.031 0.000 5.261 134 K HA -0.289 4.050 4.320 0.032 0.000 0.544 134 K C -0.515 176.116 176.600 0.052 0.000 1.225 134 K CA -0.162 56.146 56.287 0.036 0.000 1.394 134 K CB -0.323 32.195 32.500 0.030 0.000 1.786 134 K HN -0.208 8.062 8.250 0.028 -0.003 0.389 135 S N 1.482 117.222 115.700 0.067 0.000 2.622 135 S HA -0.192 4.341 4.470 0.104 0.000 0.251 135 S C 0.836 175.500 174.600 0.106 0.000 1.402 135 S CA 0.339 58.603 58.200 0.107 0.000 0.972 135 S CB 0.588 63.880 63.200 0.153 0.000 0.913 135 S HN 0.098 8.441 8.310 0.056 0.000 0.573 136 K N -1.080 119.398 120.400 0.129 0.000 2.948 136 K HA 0.042 4.416 4.320 0.089 0.000 0.182 136 K C -0.558 176.088 176.600 0.076 0.000 1.750 136 K CA 0.242 56.584 56.287 0.092 0.000 1.390 136 K CB 0.916 33.452 32.500 0.061 0.000 1.986 136 K HN 0.195 8.545 8.250 0.167 0.000 0.628 137 G N 0.583 109.403 108.800 0.032 0.000 2.272 137 G HA2 -0.260 3.504 3.960 -0.328 0.000 0.280 137 G HA3 -0.260 3.542 3.960 -0.265 0.000 0.280 137 G C -1.051 173.763 174.900 -0.142 0.000 1.067 137 G CA 0.665 45.651 45.100 -0.189 0.000 0.902 137 G HN 0.063 8.394 8.290 0.070 0.000 0.500 138 I N -5.223 115.314 120.570 -0.056 0.000 2.644 138 I HA 0.267 4.408 4.170 -0.049 0.000 0.291 138 I C -2.461 173.666 176.117 0.016 0.000 1.180 138 I CA -1.303 59.983 61.300 -0.023 0.000 1.040 138 I CB 2.806 40.810 38.000 0.007 0.000 1.255 138 I HN -0.513 7.682 8.210 -0.025 0.000 0.422 139 A N 4.699 127.528 122.820 0.016 0.000 2.330 139 A HA 0.762 5.217 4.320 0.073 -0.091 0.329 139 A C -2.501 175.117 177.584 0.057 0.000 1.135 139 A CA -2.217 49.850 52.037 0.051 0.000 0.817 139 A CB 3.243 22.271 19.000 0.046 0.000 1.269 139 A HN 0.720 8.867 8.150 -0.005 0.000 0.469 140 Y N -0.673 119.618 120.300 -0.015 0.000 2.512 140 Y HA 0.204 4.739 4.550 -0.024 0.000 0.348 140 Y C -2.644 173.217 175.900 -0.065 0.000 0.990 140 Y CA -0.110 57.973 58.100 -0.029 0.000 1.033 140 Y CB 4.611 43.062 38.460 -0.014 0.000 1.259 140 Y HN 0.649 8.924 8.280 0.165 0.105 0.461 141 I N 0.381 121.036 120.570 0.142 0.000 2.894 141 I HA 0.784 5.191 4.170 0.072 -0.194 0.302 141 I C -2.144 174.064 176.117 0.152 0.000 1.188 141 I CA -1.749 59.576 61.300 0.042 0.000 1.014 141 I CB 5.046 42.879 38.000 -0.278 0.000 1.242 141 I HN 0.554 8.674 8.210 -0.002 0.089 0.430 142 E N 1.482 121.777 120.200 0.159 0.000 2.256 142 E HA 0.690 5.174 4.350 0.223 0.000 0.267 142 E C -1.609 175.185 176.600 0.324 0.000 0.892 142 E CA -2.553 53.971 56.400 0.207 0.000 0.775 142 E CB 4.613 34.392 29.700 0.131 0.000 1.207 142 E HN 0.449 8.758 8.360 0.107 0.115 0.420 143 F N 1.638 121.593 119.950 0.008 0.000 2.532 143 F HA 0.366 4.888 4.527 -0.007 0.000 0.321 143 F C 0.371 176.178 175.800 0.013 0.000 1.089 143 F CA -1.504 56.499 58.000 0.005 0.000 0.926 143 F CB 3.373 42.382 39.000 0.014 0.000 1.168 143 F HN -0.114 8.382 8.300 0.327 0.000 0.459 144 K N 2.157 122.552 120.400 -0.009 0.000 2.362 144 K HA -0.320 4.003 4.320 0.005 0.000 0.202 144 K C -0.580 176.056 176.600 0.061 0.000 1.045 144 K CA 2.118 58.404 56.287 -0.001 0.000 0.936 144 K CB 0.253 32.713 32.500 -0.066 0.000 0.747 144 K HN 0.364 8.481 8.250 -0.221 0.000 0.467 145 S N -6.065 109.717 115.700 0.136 0.000 2.615 145 S HA 0.052 4.580 4.470 0.096 0.000 0.268 145 S C -1.232 173.470 174.600 0.170 0.000 1.146 145 S CA -1.009 57.265 58.200 0.124 0.000 0.818 145 S CB 2.255 65.504 63.200 0.082 0.000 1.111 145 S HN -0.737 7.638 8.310 0.216 0.065 0.465 146 E N 2.342 122.600 120.200 0.096 0.000 2.072 146 E HA -0.231 4.154 4.350 0.058 0.000 0.190 146 E C 0.958 177.594 176.600 0.059 0.000 0.982 146 E CA 2.989 59.423 56.400 0.057 0.000 0.803 146 E CB -0.107 29.594 29.700 0.002 0.000 0.755 146 E HN 0.608 9.009 8.360 0.069 0.000 0.453 147 A N -0.225 122.634 122.820 0.066 0.000 1.870 147 A HA -0.363 3.978 4.320 0.034 0.000 0.219 147 A C 1.763 179.412 177.584 0.108 0.000 1.224 147 A CA 3.757 55.832 52.037 0.064 0.000 0.650 147 A CB -1.290 17.744 19.000 0.058 0.000 0.836 147 A HN 0.241 8.427 8.150 0.061 0.000 0.454 148 D N -1.854 118.667 120.400 0.201 0.000 2.219 148 D HA -0.269 4.519 4.640 0.246 0.000 0.205 148 D C 2.072 178.585 176.300 0.354 0.000 0.970 148 D CA 3.299 57.510 54.000 0.351 0.000 0.851 148 D CB -0.666 40.380 40.800 0.410 0.000 0.943 148 D HN 0.315 8.800 8.370 0.192 0.000 0.488 149 A N 0.165 123.086 122.820 0.168 0.000 1.845 149 A HA -0.278 3.302 4.320 -1.234 0.000 0.215 149 A C 2.167 179.618 177.584 -0.221 0.000 1.195 149 A CA 3.194 55.021 52.037 -0.350 0.000 0.616 149 A CB -0.609 18.303 19.000 -0.147 0.000 0.832 149 A HN -0.615 7.548 8.150 0.253 0.138 0.443 150 E N -0.957 119.198 120.200 -0.074 0.000 2.058 150 E HA -0.347 3.980 4.350 -0.038 0.000 0.194 150 E C 2.110 178.692 176.600 -0.029 0.000 0.997 150 E CA 3.154 59.527 56.400 -0.046 0.000 0.801 150 E CB -0.190 29.487 29.700 -0.039 0.000 0.746 150 E HN 0.280 8.573 8.360 -0.037 0.045 0.450 151 K N -1.339 119.063 120.400 0.003 0.000 1.977 151 K HA -0.442 3.886 4.320 0.014 0.000 0.218 151 K C 2.402 179.015 176.600 0.022 0.000 1.051 151 K CA 3.506 59.808 56.287 0.026 0.000 0.953 151 K CB -0.106 32.433 32.500 0.066 0.000 0.727 151 K HN -0.460 7.802 8.250 0.020 0.000 0.445 152 N N -0.255 118.478 118.700 0.054 0.000 2.094 152 N HA -0.341 4.610 4.740 0.089 -0.158 0.191 152 N C 2.407 177.913 175.510 -0.008 0.000 1.023 152 N CA 3.579 56.673 53.050 0.074 0.000 0.857 152 N CB -0.175 38.449 38.487 0.228 0.000 1.013 152 N HN -0.398 8.042 8.380 0.100 0.000 0.426 153 L N 0.810 121.983 121.223 -0.083 0.000 1.924 153 L HA -0.449 3.874 4.340 -0.029 0.000 0.222 153 L C 1.079 177.907 176.870 -0.070 0.000 1.081 153 L CA 4.312 59.109 54.840 -0.072 0.000 0.780 153 L CB -0.046 41.963 42.059 -0.082 0.000 0.891 153 L HN 0.375 8.403 8.230 -0.151 0.112 0.434 154 E N -2.977 117.189 120.200 -0.057 0.000 2.233 154 E HA -0.425 3.877 4.350 -0.079 0.000 0.199 154 E C 2.013 178.576 176.600 -0.061 0.000 1.004 154 E CA 3.169 59.534 56.400 -0.058 0.000 0.819 154 E CB -0.351 29.329 29.700 -0.033 0.000 0.738 154 E HN -0.289 8.045 8.360 -0.043 0.000 0.478 155 E N -1.463 118.707 120.200 -0.051 0.000 2.004 155 E HA -0.202 4.121 4.350 -0.045 0.000 0.192 155 E C 2.489 179.037 176.600 -0.088 0.000 0.987 155 E CA 2.419 58.788 56.400 -0.051 0.000 0.822 155 E CB 0.307 29.992 29.700 -0.024 0.000 0.779 155 E HN -0.537 7.657 8.360 -0.040 0.142 0.458 156 K N -1.441 118.886 120.400 -0.123 0.000 2.360 156 K HA -0.210 3.996 4.320 -0.190 0.000 0.201 156 K C 1.880 178.364 176.600 -0.193 0.000 1.046 156 K CA 0.982 57.142 56.287 -0.212 0.000 0.945 156 K CB -0.903 31.345 32.500 -0.420 0.000 0.750 156 K HN 0.117 8.309 8.250 -0.096 0.000 0.464 157 Q N -3.100 116.609 119.800 -0.151 0.000 2.268 157 Q HA -0.292 3.942 4.340 -0.178 0.000 0.213 157 Q C 1.421 177.335 176.000 -0.143 0.000 0.995 157 Q CA 2.501 58.208 55.803 -0.160 0.000 0.901 157 Q CB 0.258 28.901 28.738 -0.158 0.000 0.921 157 Q HN 0.115 8.161 8.270 -0.127 0.147 0.421 158 G N -3.153 105.575 108.800 -0.121 0.000 3.565 158 G HA2 0.186 4.090 3.960 -0.093 0.000 0.346 158 G HA3 0.186 4.098 3.960 -0.081 0.000 0.346 158 G C -2.277 172.564 174.900 -0.098 0.000 1.363 158 G CA -0.789 44.253 45.100 -0.097 0.000 1.134 158 G HN -0.709 7.472 8.290 -0.118 0.038 0.471 159 A N 3.280 126.034 122.820 -0.111 0.000 3.837 159 A HA 0.417 4.679 4.320 -0.098 0.000 0.159 159 A C -1.899 175.637 177.584 -0.079 0.000 1.157 159 A CA -0.931 51.040 52.037 -0.110 0.000 0.890 159 A CB 2.078 20.980 19.000 -0.163 0.000 1.553 159 A HN -0.508 7.574 8.150 -0.114 0.000 0.642 160 E N -2.263 117.892 120.200 -0.075 0.000 2.777 160 E HA 0.084 4.492 4.350 -0.044 -0.084 0.375 160 E C -1.070 175.504 176.600 -0.043 0.000 1.093 160 E CA 0.935 57.306 56.400 -0.049 0.000 0.755 160 E CB 0.333 30.011 29.700 -0.036 0.000 1.595 160 E HN 0.179 8.485 8.360 -0.090 0.000 0.380 161 I N 0.499 121.043 120.570 -0.044 0.000 2.867 161 I HA -0.090 4.063 4.170 -0.028 0.000 0.265 161 I C -0.902 175.205 176.117 -0.016 0.000 1.162 161 I CA 1.172 62.453 61.300 -0.031 0.000 1.471 161 I CB 0.725 38.705 38.000 -0.034 0.000 1.123 161 I HN 0.120 8.300 8.210 -0.050 0.000 0.440 162 D N -3.194 117.196 120.400 -0.017 0.000 2.952 162 D HA 0.053 4.704 4.640 0.018 0.000 0.373 162 D C 0.352 176.661 176.300 0.016 0.000 1.360 162 D CA -0.800 53.202 54.000 0.004 0.000 0.788 162 D CB 0.012 40.803 40.800 -0.015 0.000 1.192 162 D HN -0.550 7.805 8.370 -0.025 0.000 0.462 163 G N 0.425 109.230 108.800 0.007 0.000 2.244 163 G HA2 -0.319 3.642 3.960 0.002 0.000 0.274 163 G HA3 -0.319 3.652 3.960 0.018 0.000 0.274 163 G C 0.111 175.016 174.900 0.008 0.000 1.002 163 G CA 1.111 46.217 45.100 0.009 0.000 0.740 163 G HN 0.259 8.549 8.290 0.000 0.000 0.516 164 R N -1.193 119.307 120.500 0.000 0.000 2.566 164 R HA 0.114 4.457 4.340 0.003 0.000 0.388 164 R C -0.699 175.591 176.300 -0.016 0.000 0.989 164 R CA -1.233 54.867 56.100 -0.001 0.000 1.164 164 R CB 0.202 30.508 30.300 0.009 0.000 1.459 164 R HN -0.148 8.055 8.270 -0.007 0.063 0.553 165 S N -0.753 114.931 115.700 -0.027 0.000 3.477 165 S HA -0.468 4.119 4.470 -0.054 -0.149 0.426 165 S C -0.828 173.742 174.600 -0.051 0.000 0.874 165 S CA 0.362 58.535 58.200 -0.045 0.000 1.341 165 S CB -0.788 62.385 63.200 -0.044 0.000 0.917 165 S HN -0.267 8.028 8.310 -0.024 0.000 0.607 166 V N 1.185 121.068 119.914 -0.052 0.000 3.020 166 V HA -0.444 3.775 4.120 -0.037 -0.121 0.266 166 V C -0.084 175.986 176.094 -0.041 0.000 1.583 166 V CA 1.926 64.200 62.300 -0.044 0.000 1.531 166 V CB 0.724 32.521 31.823 -0.043 0.000 0.913 166 V HN -0.029 8.129 8.190 -0.052 0.000 0.530 167 S N 4.099 119.797 115.700 -0.002 0.000 2.617 167 S HA 0.198 4.633 4.470 -0.058 0.000 0.283 167 S C -1.531 173.085 174.600 0.027 0.000 1.189 167 S CA -0.222 57.989 58.200 0.018 0.000 1.036 167 S CB 0.746 64.045 63.200 0.164 0.000 1.014 167 S HN 0.198 8.411 8.310 0.006 0.101 0.522 168 L N -1.285 119.887 121.223 -0.086 0.000 2.752 168 L HA 0.578 5.188 4.340 0.058 -0.235 0.257 168 L C -1.983 174.758 176.870 -0.215 0.000 0.968 168 L CA -0.307 54.513 54.840 -0.034 0.000 0.953 168 L CB 1.678 43.777 42.059 0.066 0.000 1.286 168 L HN -0.067 7.979 8.230 -0.306 0.000 0.443 169 Y N 2.242 122.446 120.300 -0.160 0.000 2.596 169 Y HA 0.339 4.773 4.550 -0.193 0.000 0.326 169 Y C -1.028 174.750 175.900 -0.204 0.000 1.167 169 Y CA -1.893 56.067 58.100 -0.234 0.000 1.246 169 Y CB 3.653 41.915 38.460 -0.330 0.000 1.347 169 Y HN 0.495 8.902 8.280 0.213 0.000 0.515 170 Y N -4.210 116.134 120.300 0.075 0.000 2.376 170 Y HA 0.603 5.244 4.550 -0.048 -0.120 0.325 170 Y C -0.830 175.090 175.900 0.034 0.000 1.199 170 Y CA -2.630 55.473 58.100 0.005 0.000 1.206 170 Y CB 1.876 40.333 38.460 -0.006 0.000 1.229 170 Y HN -0.000 7.950 8.280 -0.549 0.000 0.480 171 T N 1.211 115.943 114.554 0.296 0.000 2.933 171 T HA 0.269 4.781 4.350 0.269 0.000 0.305 171 T C -1.184 173.655 174.700 0.232 0.000 1.092 171 T CA -1.978 60.278 62.100 0.260 0.000 1.008 171 T CB 2.046 71.077 68.868 0.271 0.000 1.102 171 T HN 0.373 8.670 8.240 0.256 0.096 0.469 172 G N 5.716 114.633 108.800 0.194 0.000 2.541 172 G HA2 -0.288 3.856 3.960 0.112 0.000 0.208 172 G HA3 -0.288 3.851 3.960 0.121 -0.107 0.208 172 G C -2.565 172.394 174.900 0.099 0.000 1.191 172 G CA 0.541 45.718 45.100 0.130 0.000 1.217 172 G HN 0.113 8.523 8.290 0.199 0.000 0.566 173 E N -0.106 120.130 120.200 0.060 0.000 2.142 173 E HA 0.002 4.353 4.350 0.002 0.000 0.282 173 E C -1.617 174.989 176.600 0.009 0.000 1.062 173 E CA 1.167 57.582 56.400 0.025 0.000 2.109 173 E CB 0.280 30.001 29.700 0.035 0.000 2.783 173 E HN 0.213 8.609 8.360 0.060 0.000 1.124 174 K N -1.638 118.774 120.400 0.021 0.000 3.172 174 K HA 0.217 4.547 4.320 0.017 0.000 0.237 174 K C -1.104 175.510 176.600 0.023 0.000 2.324 174 K CA 0.601 56.898 56.287 0.017 0.000 1.521 174 K CB 1.582 34.087 32.500 0.008 0.000 2.603 174 K HN 0.253 8.520 8.250 0.028 0.000 0.537 175 G N 0.000 108.813 108.800 0.022 0.000 5.446 175 G HA2 0.000 nan 3.960 nan 0.000 0.244 175 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 175 G CA 0.000 45.114 45.100 0.023 0.000 0.502 175 G HN 0.000 8.302 8.290 0.020 0.000 0.925