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 2e9g_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGPPP APIPDLKVFE REGVQLNLSF IRPPENPALL LITITATNFS DATA SEQUENCE EGDVTHFICQ AAVPKSLQLQ LQAPSGNTVP ARGGLPITQL FRILNPNKAP DATA SEQUENCE LRLKLRLTYD HFHQSVQEIF EVNNLPVESW Q 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 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.900 174.900 0.001 0.000 0.946 1 G CA 0.000 45.100 45.100 0.000 0.000 0.502 2 S N 1.846 117.547 115.700 0.001 0.000 2.672 2 S HA 0.255 4.725 4.470 0.001 0.000 0.291 2 S C -1.484 173.116 174.600 0.001 0.000 1.145 2 S CA 0.020 58.220 58.200 0.001 0.000 1.013 2 S CB 1.209 64.409 63.200 0.001 0.000 1.017 2 S HN -0.051 8.259 8.310 0.000 0.000 0.487 3 S N 3.813 119.513 115.700 0.001 0.000 2.614 3 S HA 0.251 4.721 4.470 0.001 0.000 0.275 3 S C 0.278 174.879 174.600 0.001 0.000 1.161 3 S CA 0.205 58.405 58.200 0.001 0.000 0.969 3 S CB 1.788 64.988 63.200 0.001 0.000 1.059 3 S HN 0.221 8.531 8.310 0.001 0.000 0.482 4 G N 3.289 112.090 108.800 0.001 0.000 3.056 4 G HA2 0.053 4.014 3.960 0.001 0.000 0.175 4 G HA3 0.053 4.014 3.960 0.001 0.000 0.175 4 G C -0.501 174.399 174.900 0.001 0.000 1.894 4 G CA 0.619 45.719 45.100 0.001 0.000 0.910 4 G HN 0.226 8.516 8.290 0.000 0.000 0.462 5 S N -2.292 113.408 115.700 0.000 0.000 2.611 5 S HA 0.098 4.568 4.470 0.000 0.000 0.268 5 S C -1.434 173.165 174.600 -0.001 0.000 1.156 5 S CA -0.545 57.655 58.200 -0.000 0.000 0.817 5 S CB 1.211 64.411 63.200 -0.000 0.000 1.122 5 S HN -0.284 8.026 8.310 0.000 0.000 0.466 6 S N 2.658 118.358 115.700 -0.001 0.000 2.498 6 S HA 0.399 4.868 4.470 -0.001 0.000 0.324 6 S C -0.941 173.658 174.600 -0.002 0.000 1.071 6 S CA -0.044 58.155 58.200 -0.001 0.000 1.113 6 S CB -0.361 62.838 63.200 -0.001 0.000 0.976 6 S HN 0.263 8.572 8.310 -0.001 0.000 0.462 7 G N 4.635 113.434 108.800 -0.002 0.000 2.368 7 G HA2 -0.050 3.908 3.960 -0.003 0.000 0.303 7 G HA3 -0.050 3.908 3.960 -0.003 0.000 0.303 7 G C -3.163 171.735 174.900 -0.004 0.000 1.590 7 G CA -0.213 44.885 45.100 -0.003 0.000 0.938 7 G HN 0.036 8.325 8.290 -0.002 0.000 0.675 8 P HA 0.345 4.763 4.420 -0.005 0.000 0.272 8 P C -2.052 175.244 177.300 -0.006 0.000 1.240 8 P CA -1.111 61.986 63.100 -0.006 0.000 0.791 8 P CB -0.120 31.576 31.700 -0.007 0.000 0.978 9 P HA 0.317 4.734 4.420 -0.005 0.000 0.271 9 P C -2.081 175.213 177.300 -0.009 0.000 1.216 9 P CA -0.770 62.326 63.100 -0.006 0.000 0.771 9 P CB -0.542 31.155 31.700 -0.005 0.000 0.864 10 P HA 0.028 4.437 4.420 -0.018 0.000 0.288 10 P C -1.916 175.374 177.300 -0.018 0.000 1.291 10 P CA -0.429 62.662 63.100 -0.015 0.000 0.766 10 P CB 1.116 32.808 31.700 -0.013 0.000 1.242 11 A N 0.333 123.138 122.820 -0.025 0.000 2.431 11 A HA 0.291 4.598 4.320 -0.021 0.000 0.318 11 A C -1.946 175.620 177.584 -0.030 0.000 1.330 11 A CA -1.771 50.249 52.037 -0.029 0.000 0.804 11 A CB -0.054 18.922 19.000 -0.040 0.000 1.135 11 A HN 0.240 8.372 8.150 -0.030 0.000 0.483 12 P HA 0.051 4.469 4.420 -0.004 0.000 0.288 12 P C -1.552 175.743 177.300 -0.008 0.000 1.291 12 P CA -0.505 62.592 63.100 -0.004 0.000 0.766 12 P CB 1.133 32.840 31.700 0.011 0.000 1.242 13 I N -0.682 119.898 120.570 0.017 0.000 2.389 13 I HA 0.337 4.499 4.170 -0.014 0.000 0.288 13 I C -1.092 175.068 176.117 0.071 0.000 0.999 13 I CA -2.666 58.646 61.300 0.021 0.000 1.129 13 I CB 0.854 38.861 38.000 0.012 0.000 1.288 13 I HN 0.191 8.424 8.210 0.037 0.000 0.444 14 P HA 0.171 4.628 4.420 0.062 0.000 0.272 14 P C -0.930 176.443 177.300 0.121 0.000 1.230 14 P CA -0.761 62.380 63.100 0.069 0.000 0.788 14 P CB 0.621 32.345 31.700 0.041 0.000 0.949 15 D N -0.754 119.710 120.400 0.107 0.000 2.370 15 D HA -0.195 4.677 4.640 0.150 -0.142 0.235 15 D C -0.922 175.466 176.300 0.147 0.000 1.228 15 D CA 0.412 54.485 54.000 0.122 0.000 0.884 15 D CB 0.536 41.380 40.800 0.073 0.000 1.201 15 D HN -0.058 8.359 8.370 0.078 0.000 0.456 16 L N -1.395 119.927 121.223 0.166 0.000 2.409 16 L HA 0.285 4.704 4.340 0.133 0.000 0.272 16 L C -1.901 175.029 176.870 0.101 0.000 0.980 16 L CA -0.787 54.156 54.840 0.172 0.000 0.826 16 L CB 3.623 45.885 42.059 0.339 0.000 1.268 16 L HN 0.311 8.621 8.230 0.134 0.000 0.407 17 K N 6.458 126.895 120.400 0.062 0.000 2.297 17 K HA -0.014 4.321 4.320 0.025 0.000 0.286 17 K C -0.356 176.238 176.600 -0.010 0.000 1.053 17 K CA 0.758 57.056 56.287 0.019 0.000 0.940 17 K CB -0.029 32.467 32.500 -0.006 0.000 1.019 17 K HN 0.427 8.713 8.250 0.060 0.000 0.475 18 V N 0.513 120.402 119.914 -0.043 0.000 3.359 18 V HA 0.338 4.368 4.120 -0.150 0.000 0.245 18 V C -1.191 174.606 176.094 -0.496 0.000 1.247 18 V CA -0.767 61.426 62.300 -0.178 0.000 1.145 18 V CB 1.773 33.612 31.823 0.027 0.000 0.906 18 V HN -0.415 7.770 8.190 -0.008 0.000 0.464 19 F N 1.784 121.488 119.950 -0.410 0.000 2.573 19 F HA 0.194 4.436 4.527 -0.475 0.000 0.316 19 F C -2.652 173.065 175.800 -0.138 0.000 1.148 19 F CA -0.073 57.707 58.000 -0.367 0.000 0.940 19 F CB 3.429 42.279 39.000 -0.249 0.000 1.214 19 F HN -0.939 7.349 8.300 -0.020 0.000 0.448 20 E N 9.087 128.877 120.200 -0.684 0.000 2.244 20 E HA 0.223 4.473 4.350 -0.165 0.000 0.260 20 E C -2.217 174.072 176.600 -0.518 0.000 0.884 20 E CA -1.053 55.112 56.400 -0.393 0.000 0.777 20 E CB 2.335 31.903 29.700 -0.219 0.000 1.197 20 E HN 0.319 8.094 8.360 -0.975 0.000 0.416 21 R N 5.921 126.277 120.500 -0.239 0.000 2.803 21 R HA 0.262 4.494 4.340 -0.181 0.000 0.276 21 R C -0.465 175.865 176.300 0.051 0.000 0.978 21 R CA -1.412 54.639 56.100 -0.081 0.000 0.939 21 R CB 2.582 32.996 30.300 0.190 0.000 1.179 21 R HN 0.711 8.948 8.270 -0.054 0.000 0.472 22 E N 0.908 121.140 120.200 0.053 0.000 2.339 22 E HA -0.279 4.098 4.350 0.045 0.000 0.201 22 E C -0.330 176.359 176.600 0.148 0.000 1.015 22 E CA 1.810 58.252 56.400 0.071 0.000 0.841 22 E CB -0.615 29.110 29.700 0.042 0.000 0.754 22 E HN 0.188 8.565 8.360 0.029 0.000 0.508 23 G N -1.763 107.168 108.800 0.219 0.000 2.831 23 G HA2 0.094 4.247 3.960 0.322 0.000 0.200 23 G HA3 0.094 4.269 3.960 0.359 0.000 0.200 23 G C -1.583 173.480 174.900 0.271 0.000 1.130 23 G CA -0.528 44.755 45.100 0.304 0.000 0.678 23 G HN -0.130 8.219 8.290 0.214 0.069 0.795 24 V N 1.931 121.994 119.914 0.247 0.000 2.686 24 V HA 0.557 4.891 4.120 -0.010 -0.220 0.295 24 V C -1.547 174.668 176.094 0.201 0.000 1.057 24 V CA -1.508 60.883 62.300 0.152 0.000 1.012 24 V CB 0.863 32.798 31.823 0.186 0.000 1.006 24 V HN -0.592 7.783 8.190 0.309 0.000 0.477 25 Q N 3.088 122.948 119.800 0.100 0.000 2.263 25 Q HA 0.406 4.857 4.340 0.184 0.000 0.266 25 Q C -2.202 173.843 176.000 0.076 0.000 1.002 25 Q CA -0.813 55.068 55.803 0.130 0.000 0.790 25 Q CB 4.067 32.888 28.738 0.139 0.000 1.272 25 Q HN 0.636 8.881 8.270 -0.042 0.000 0.435 26 L N 5.110 126.423 121.223 0.149 0.000 2.329 26 L HA 0.727 5.309 4.340 0.011 -0.236 0.279 26 L C -2.025 174.887 176.870 0.071 0.000 1.014 26 L CA -1.662 53.231 54.840 0.088 0.000 0.814 26 L CB 3.928 46.076 42.059 0.148 0.000 1.257 26 L HN 0.491 8.859 8.230 0.231 0.000 0.424 27 N N 3.589 122.312 118.700 0.038 0.000 2.265 27 N HA 0.410 5.278 4.740 0.040 -0.104 0.300 27 N C -2.139 173.374 175.510 0.005 0.000 1.148 27 N CA -0.757 52.312 53.050 0.031 0.000 0.772 27 N CB 4.234 42.737 38.487 0.027 0.000 1.434 27 N HN -0.235 8.157 8.380 0.020 0.000 0.481 28 L N 1.457 122.673 121.223 -0.010 0.000 2.341 28 L HA 0.532 4.949 4.340 -0.150 -0.167 0.278 28 L C -1.994 174.767 176.870 -0.181 0.000 1.005 28 L CA -1.441 53.319 54.840 -0.132 0.000 0.818 28 L CB 3.612 45.584 42.059 -0.145 0.000 1.259 28 L HN 0.599 8.748 8.230 0.027 0.098 0.418 29 S N 4.474 119.999 115.700 -0.291 0.000 2.561 29 S HA 0.352 4.815 4.470 -0.012 0.000 0.303 29 S C -1.636 172.783 174.600 -0.302 0.000 1.110 29 S CA -1.857 56.243 58.200 -0.166 0.000 1.034 29 S CB 1.948 65.124 63.200 -0.041 0.000 1.010 29 S HN -0.122 8.006 8.310 -0.303 0.000 0.482 30 F N 5.244 125.219 119.950 0.043 0.000 2.420 30 F HA 0.099 4.658 4.527 0.054 0.000 0.342 30 F C -0.122 175.699 175.800 0.034 0.000 1.113 30 F CA -0.546 57.480 58.000 0.043 0.000 1.059 30 F CB 1.383 40.405 39.000 0.036 0.000 1.128 30 F HN 0.326 8.853 8.300 0.379 0.000 0.475 31 I N 3.438 124.116 120.570 0.181 0.000 2.465 31 I HA 0.158 4.393 4.170 0.109 0.000 0.291 31 I C -1.404 174.777 176.117 0.106 0.000 1.014 31 I CA -1.225 60.145 61.300 0.115 0.000 1.093 31 I CB 3.032 41.075 38.000 0.073 0.000 1.267 31 I HN 0.171 8.482 8.210 0.169 0.000 0.431 32 R N 7.577 128.124 120.500 0.078 0.000 2.363 32 R HA 0.620 5.001 4.340 0.069 0.000 0.297 32 R C -2.312 174.013 176.300 0.041 0.000 1.208 32 R CA -3.652 52.484 56.100 0.060 0.000 1.121 32 R CB 0.011 30.338 30.300 0.044 0.000 1.124 32 R HN 0.278 8.590 8.270 0.070 0.000 0.561 33 P HA 0.286 4.721 4.420 0.026 0.000 0.271 33 P C -1.245 176.069 177.300 0.024 0.000 1.218 33 P CA -1.659 61.459 63.100 0.029 0.000 0.780 33 P CB 0.052 31.769 31.700 0.029 0.000 0.901 34 P HA -0.178 4.250 4.420 0.013 0.000 0.216 34 P C 0.574 177.883 177.300 0.015 0.000 1.153 34 P CA 1.942 65.051 63.100 0.014 0.000 0.844 34 P CB 0.432 32.138 31.700 0.011 0.000 0.787 35 E N -1.903 118.306 120.200 0.015 0.000 2.085 35 E HA -0.274 4.083 4.350 0.012 0.000 0.194 35 E C -0.244 176.366 176.600 0.017 0.000 0.994 35 E CA 1.661 58.069 56.400 0.014 0.000 0.801 35 E CB -0.319 29.388 29.700 0.013 0.000 0.743 35 E HN 0.090 8.459 8.360 0.015 0.000 0.453 36 N N -1.319 117.394 118.700 0.021 0.000 2.623 36 N HA 0.252 5.006 4.740 0.024 0.000 0.256 36 N C -0.828 174.701 175.510 0.032 0.000 1.045 36 N CA -2.120 50.946 53.050 0.026 0.000 0.863 36 N CB 0.426 38.929 38.487 0.027 0.000 1.182 36 N HN -0.277 8.110 8.380 0.022 0.007 0.523 37 P HA 0.015 4.454 4.420 0.032 0.000 0.219 37 P C -0.336 176.992 177.300 0.046 0.000 1.150 37 P CA 1.191 64.311 63.100 0.034 0.000 0.814 37 P CB 0.676 32.393 31.700 0.028 0.000 0.787 38 A N -3.885 118.963 122.820 0.047 0.000 2.235 38 A HA -0.034 4.325 4.320 0.065 0.000 0.208 38 A C -0.856 176.765 177.584 0.061 0.000 1.172 38 A CA -0.058 52.012 52.037 0.056 0.000 0.786 38 A CB -0.223 18.806 19.000 0.049 0.000 0.804 38 A HN 0.083 8.257 8.150 0.040 0.000 0.479 39 L N -0.088 121.169 121.223 0.057 0.000 2.276 39 L HA 0.492 5.039 4.340 0.064 -0.168 0.286 39 L C -1.874 175.043 176.870 0.078 0.000 1.061 39 L CA -0.565 54.312 54.840 0.062 0.000 0.807 39 L CB 2.361 44.449 42.059 0.049 0.000 1.177 39 L HN -0.808 7.253 8.230 0.050 0.199 0.429 40 L N 7.193 128.473 121.223 0.096 0.000 2.353 40 L HA 0.524 5.078 4.340 0.125 -0.139 0.270 40 L C -1.744 175.200 176.870 0.124 0.000 1.003 40 L CA -1.287 53.629 54.840 0.127 0.000 0.862 40 L CB 2.101 44.258 42.059 0.163 0.000 1.221 40 L HN 0.124 8.409 8.230 0.092 0.000 0.430 41 L N 7.193 128.481 121.223 0.108 0.000 2.282 41 L HA 0.278 4.866 4.340 0.102 -0.187 0.287 41 L C -0.419 176.501 176.870 0.084 0.000 1.075 41 L CA -0.673 54.222 54.840 0.093 0.000 0.839 41 L CB -0.386 41.711 42.059 0.063 0.000 1.219 41 L HN -0.038 8.254 8.230 0.104 0.000 0.434 42 I N 5.962 126.588 120.570 0.094 0.000 2.499 42 I HA 0.498 4.777 4.170 -0.125 -0.183 0.296 42 I C -0.401 175.766 176.117 0.084 0.000 0.992 42 I CA -0.338 60.957 61.300 -0.009 0.000 1.297 42 I CB 2.056 40.008 38.000 -0.079 0.000 1.410 42 I HN 0.147 8.445 8.210 0.147 0.000 0.507 43 T N 5.772 120.314 114.554 -0.021 0.000 2.916 43 T HA 0.604 5.242 4.350 0.169 -0.186 0.292 43 T C -1.030 173.681 174.700 0.017 0.000 1.055 43 T CA -1.493 60.640 62.100 0.055 0.000 1.009 43 T CB 2.805 71.685 68.868 0.020 0.000 1.118 43 T HN 0.115 8.257 8.240 -0.163 0.000 0.497 44 I N 1.627 122.249 120.570 0.086 0.000 2.608 44 I HA 0.683 5.042 4.170 0.013 -0.181 0.295 44 I C -1.195 174.945 176.117 0.039 0.000 1.049 44 I CA -1.753 59.583 61.300 0.061 0.000 1.063 44 I CB 3.600 41.674 38.000 0.123 0.000 1.248 44 I HN 0.219 8.510 8.210 0.135 0.000 0.424 45 T N 7.461 122.017 114.554 0.003 0.000 3.068 45 T HA 0.433 4.912 4.350 -0.036 -0.151 0.364 45 T C -1.490 173.159 174.700 -0.084 0.000 1.161 45 T CA -0.595 61.485 62.100 -0.033 0.000 1.155 45 T CB 0.419 69.276 68.868 -0.019 0.000 1.060 45 T HN 0.009 8.252 8.240 0.005 0.000 0.513 46 A N 8.216 130.933 122.820 -0.172 0.000 2.279 46 A HA 0.581 4.933 4.320 -0.228 -0.169 0.306 46 A C -1.583 175.802 177.584 -0.331 0.000 1.300 46 A CA -1.589 50.263 52.037 -0.309 0.000 0.925 46 A CB 0.906 19.532 19.000 -0.624 0.000 1.152 46 A HN -0.126 7.929 8.150 -0.158 0.000 0.544 47 T N 1.204 115.578 114.554 -0.300 0.000 2.859 47 T HA 0.217 4.318 4.350 -0.415 0.000 0.281 47 T C -1.427 172.948 174.700 -0.541 0.000 1.005 47 T CA -1.455 60.384 62.100 -0.435 0.000 1.025 47 T CB 2.161 70.758 68.868 -0.452 0.000 0.977 47 T HN 0.663 8.661 8.240 -0.217 0.111 0.458 48 N N 4.233 122.556 118.700 -0.629 0.000 2.399 48 N HA 0.286 4.954 4.740 -0.327 -0.124 0.280 48 N C -0.907 174.310 175.510 -0.488 0.000 1.008 48 N CA -1.185 51.595 53.050 -0.450 0.000 0.894 48 N CB 2.437 40.741 38.487 -0.304 0.000 1.273 48 N HN 0.532 8.545 8.380 -0.610 0.000 0.486 49 F N 4.483 124.470 119.950 0.062 0.000 2.712 49 F HA 0.186 4.841 4.527 0.048 -0.099 0.297 49 F C 0.396 176.270 175.800 0.123 0.000 1.114 49 F CA -0.318 57.725 58.000 0.072 0.000 1.305 49 F CB 1.779 40.814 39.000 0.059 0.000 1.086 49 F HN 0.253 8.574 8.300 0.033 0.000 0.599 50 S N 0.526 116.439 115.700 0.356 0.000 2.586 50 S HA -0.249 4.431 4.470 0.351 0.000 0.256 50 S C 0.235 175.028 174.600 0.322 0.000 1.392 50 S CA 0.448 58.891 58.200 0.404 0.000 0.983 50 S CB 1.056 64.641 63.200 0.640 0.000 0.897 50 S HN -0.744 7.867 8.310 0.336 -0.101 0.566 51 E N -0.911 119.504 120.200 0.359 0.000 2.359 51 E HA 0.011 4.438 4.350 0.128 0.000 0.187 51 E C -1.052 175.487 176.600 -0.103 0.000 1.081 51 E CA -0.373 56.132 56.400 0.174 0.000 0.929 51 E CB -1.039 28.786 29.700 0.208 0.000 1.086 51 E HN 0.239 8.915 8.360 0.527 0.000 0.462 52 G N 0.802 109.457 108.800 -0.242 0.000 2.990 52 G HA2 0.275 3.899 3.960 -0.561 0.000 0.300 52 G HA3 0.275 3.261 3.960 -1.625 0.000 0.300 52 G C -2.215 172.633 174.900 -0.087 0.000 1.498 52 G CA -0.389 44.334 45.100 -0.630 0.000 1.074 52 G HN -0.702 7.541 8.290 0.120 0.119 0.542 53 D N 5.709 126.057 120.400 -0.086 0.000 2.487 53 D HA -0.221 4.392 4.640 -0.045 0.000 0.243 53 D C -0.404 175.877 176.300 -0.031 0.000 1.154 53 D CA 2.056 56.027 54.000 -0.048 0.000 0.876 53 D CB 0.454 41.226 40.800 -0.047 0.000 1.161 53 D HN 0.022 8.321 8.370 -0.117 0.000 0.478 54 V N 4.476 124.346 119.914 -0.072 0.000 2.686 54 V HA 0.158 4.300 4.120 0.037 0.000 0.295 54 V C -0.146 175.943 176.094 -0.008 0.000 1.057 54 V CA -1.152 61.114 62.300 -0.056 0.000 1.012 54 V CB 0.702 32.383 31.823 -0.237 0.000 1.006 54 V HN -0.080 8.041 8.190 -0.116 0.000 0.477 55 T N -0.330 114.274 114.554 0.083 0.000 2.843 55 T HA 0.456 4.967 4.350 0.079 -0.113 0.302 55 T C -0.308 174.545 174.700 0.256 0.000 1.232 55 T CA -1.388 60.790 62.100 0.130 0.000 1.009 55 T CB 2.794 71.743 68.868 0.136 0.000 1.254 55 T HN -0.039 8.281 8.240 0.133 0.000 0.504 56 H N -1.744 117.369 119.070 0.071 0.000 2.741 56 H HA -0.480 4.099 4.556 0.038 0.000 0.305 56 H C -1.305 174.093 175.328 0.117 0.000 1.169 56 H CA 1.579 57.667 56.048 0.067 0.000 1.144 56 H CB -0.873 28.916 29.762 0.045 0.000 1.397 56 H HN 0.486 8.751 8.280 0.094 0.071 0.409 57 F N -0.407 119.572 119.950 0.048 0.000 2.529 57 F HA -0.169 4.430 4.527 0.120 0.000 0.365 57 F C -1.306 174.506 175.800 0.020 0.000 1.102 57 F CA 0.411 58.424 58.000 0.021 0.000 1.271 57 F CB 0.350 39.277 39.000 -0.122 0.000 1.120 57 F HN -0.783 7.655 8.300 0.257 0.016 0.579 58 I N 7.532 127.672 120.570 -0.717 0.000 2.436 58 I HA 0.165 3.950 4.170 -0.642 0.000 0.289 58 I C -1.855 173.681 176.117 -0.969 0.000 1.010 58 I CA -2.348 58.528 61.300 -0.705 0.000 1.098 58 I CB 1.978 39.834 38.000 -0.240 0.000 1.266 58 I HN -0.106 7.964 8.210 -0.234 0.000 0.434 59 C N 8.590 127.410 119.300 -0.799 0.000 2.316 59 C HA 0.483 4.881 4.460 -0.316 -0.128 0.324 59 C C -1.433 173.470 174.990 -0.145 0.000 1.226 59 C CA -1.678 57.097 59.018 -0.405 0.000 1.450 59 C CB 1.186 28.806 27.740 -0.199 0.000 2.123 59 C HN 0.548 8.391 8.230 -0.644 0.000 0.454 60 Q N 6.816 126.532 119.800 -0.139 0.000 2.496 60 Q HA 0.385 4.717 4.340 -0.012 0.000 0.286 60 Q C -1.946 173.957 176.000 -0.161 0.000 1.103 60 Q CA -2.224 53.523 55.803 -0.093 0.000 0.813 60 Q CB 4.437 33.123 28.738 -0.086 0.000 1.444 60 Q HN 0.761 8.932 8.270 -0.165 0.000 0.443 61 A N -1.620 121.121 122.820 -0.133 0.000 2.583 61 A HA 0.787 5.129 4.320 -0.191 -0.136 0.289 61 A C -2.012 175.518 177.584 -0.089 0.000 1.151 61 A CA -0.969 50.966 52.037 -0.170 0.000 0.695 61 A CB 3.446 22.270 19.000 -0.294 0.000 1.290 61 A HN 0.205 8.318 8.150 -0.061 0.000 0.419 62 A N -0.479 122.295 122.820 -0.078 0.000 2.488 62 A HA 0.562 4.867 4.320 -0.025 0.000 0.298 62 A C -2.556 175.014 177.584 -0.022 0.000 1.044 62 A CA -0.067 51.947 52.037 -0.039 0.000 0.693 62 A CB 2.450 21.427 19.000 -0.039 0.000 1.272 62 A HN 0.055 8.146 8.150 -0.097 0.000 0.402 63 V N -0.996 118.916 119.914 -0.004 0.000 2.962 63 V HA 0.704 4.829 4.120 0.008 0.000 0.313 63 V C -2.237 173.863 176.094 0.009 0.000 1.099 63 V CA -4.172 58.133 62.300 0.009 0.000 0.971 63 V CB 2.876 34.712 31.823 0.022 0.000 1.028 63 V HN -0.012 8.177 8.190 -0.001 0.000 0.430 64 P HA 0.179 4.602 4.420 0.004 0.000 0.271 64 P C 0.133 177.438 177.300 0.009 0.000 1.218 64 P CA -0.723 62.382 63.100 0.007 0.000 0.780 64 P CB 1.010 32.713 31.700 0.005 0.000 0.901 65 K N 2.137 122.541 120.400 0.006 0.000 2.071 65 K HA -0.458 3.867 4.320 0.009 0.000 0.217 65 K C 0.823 177.428 176.600 0.010 0.000 1.054 65 K CA 3.087 59.379 56.287 0.007 0.000 0.937 65 K CB -0.503 31.999 32.500 0.004 0.000 0.719 65 K HN 0.408 8.660 8.250 0.004 0.000 0.454 66 S N -2.983 112.721 115.700 0.007 0.000 2.393 66 S HA -0.273 4.200 4.470 0.006 0.000 0.234 66 S C 0.057 174.667 174.600 0.016 0.000 1.064 66 S CA 2.197 60.402 58.200 0.008 0.000 1.088 66 S CB -0.466 62.735 63.200 0.002 0.000 0.939 66 S HN -0.330 7.983 8.310 0.004 -0.001 0.448 67 L N -1.272 119.963 121.223 0.021 0.000 2.376 67 L HA 0.492 5.045 4.340 0.034 -0.192 0.267 67 L C -1.210 175.679 176.870 0.032 0.000 1.035 67 L CA -1.617 53.242 54.840 0.032 0.000 0.800 67 L CB 1.817 43.901 42.059 0.041 0.000 1.290 67 L HN -0.466 7.679 8.230 0.018 0.096 0.462 68 Q N -2.930 116.895 119.800 0.041 0.000 2.416 68 Q HA 0.168 4.528 4.340 0.034 0.000 0.279 68 Q C -1.902 174.131 176.000 0.056 0.000 1.101 68 Q CA -1.042 54.786 55.803 0.041 0.000 0.830 68 Q CB 4.189 32.949 28.738 0.037 0.000 1.402 68 Q HN -0.006 8.367 8.270 0.048 -0.075 0.445 69 L N 0.444 121.702 121.223 0.058 0.000 2.455 69 L HA 0.758 5.361 4.340 0.109 -0.197 0.264 69 L C -1.732 175.189 176.870 0.086 0.000 0.968 69 L CA -0.839 54.055 54.840 0.089 0.000 0.827 69 L CB 3.592 45.703 42.059 0.086 0.000 1.317 69 L HN 0.158 8.416 8.230 0.047 0.000 0.407 70 Q N 6.202 126.066 119.800 0.107 0.000 2.309 70 Q HA 0.321 4.680 4.340 0.032 0.000 0.270 70 Q C -2.101 173.899 176.000 0.001 0.000 1.023 70 Q CA -1.297 54.532 55.803 0.044 0.000 0.758 70 Q CB 3.205 31.949 28.738 0.011 0.000 1.247 70 Q HN -0.003 8.360 8.270 0.155 0.000 0.455 71 L N 7.849 129.057 121.223 -0.025 0.000 2.295 71 L HA 0.146 4.322 4.340 -0.275 0.000 0.288 71 L C -0.625 176.110 176.870 -0.225 0.000 1.079 71 L CA 0.019 54.777 54.840 -0.137 0.000 0.830 71 L CB 0.350 42.396 42.059 -0.022 0.000 1.200 71 L HN 0.527 8.758 8.230 0.001 0.000 0.438 72 Q N 7.127 126.689 119.800 -0.397 0.000 2.260 72 Q HA 0.102 4.329 4.340 -0.189 0.000 0.238 72 Q C -1.038 174.815 176.000 -0.244 0.000 0.948 72 Q CA -0.970 54.664 55.803 -0.283 0.000 0.895 72 Q CB 2.654 31.215 28.738 -0.295 0.000 1.218 72 Q HN -0.300 7.559 8.270 -0.685 0.000 0.470 73 A N 3.731 126.456 122.820 -0.158 0.000 2.546 73 A HA 0.042 4.294 4.320 -0.114 0.000 0.243 73 A C -0.895 176.615 177.584 -0.123 0.000 1.063 73 A CA -0.906 51.058 52.037 -0.121 0.000 0.757 73 A CB -1.194 17.754 19.000 -0.087 0.000 0.991 73 A HN 0.138 8.207 8.150 -0.135 0.000 0.503 74 P HA 0.141 4.515 4.420 -0.077 0.000 0.306 74 P C -0.730 176.539 177.300 -0.052 0.000 1.301 74 P CA -0.902 62.155 63.100 -0.073 0.000 0.744 74 P CB 0.943 32.608 31.700 -0.058 0.000 1.400 75 S N -2.880 112.803 115.700 -0.028 0.000 2.613 75 S HA 0.148 4.597 4.470 -0.035 0.000 0.235 75 S C -0.449 174.135 174.600 -0.026 0.000 1.073 75 S CA 0.909 59.093 58.200 -0.027 0.000 0.899 75 S CB 0.991 64.180 63.200 -0.019 0.000 0.818 75 S HN 0.373 8.677 8.310 -0.009 0.000 0.484 76 G N 0.947 109.736 108.800 -0.018 0.000 2.380 76 G HA2 -0.106 3.827 3.960 -0.044 0.000 0.305 76 G HA3 -0.106 3.837 3.960 -0.028 0.000 0.305 76 G C -1.887 173.007 174.900 -0.010 0.000 1.672 76 G CA -0.344 44.739 45.100 -0.027 0.000 0.904 76 G HN -0.488 7.801 8.290 -0.002 0.000 0.686 77 N N 3.217 121.889 118.700 -0.048 0.000 2.843 77 N HA 0.001 4.763 4.740 0.037 0.000 0.284 77 N C -1.508 173.992 175.510 -0.017 0.000 1.274 77 N CA -0.130 52.895 53.050 -0.042 0.000 1.045 77 N CB -0.279 38.095 38.487 -0.190 0.000 1.370 77 N HN 0.379 8.712 8.380 -0.078 0.000 0.525 78 T N 0.821 115.372 114.554 -0.006 0.000 3.105 78 T HA 0.252 4.731 4.350 -0.004 -0.131 0.321 78 T C -1.792 172.874 174.700 -0.056 0.000 1.135 78 T CA -0.023 62.065 62.100 -0.020 0.000 1.053 78 T CB 3.252 72.106 68.868 -0.024 0.000 1.133 78 T HN -0.536 7.593 8.240 -0.003 0.108 0.463 79 V N 5.650 125.508 119.914 -0.093 0.000 2.483 79 V HA 0.524 4.564 4.120 -0.133 0.000 0.297 79 V C -2.585 173.433 176.094 -0.127 0.000 1.027 79 V CA -3.797 58.414 62.300 -0.148 0.000 0.855 79 V CB 2.948 34.613 31.823 -0.263 0.000 0.995 79 V HN 0.795 8.833 8.190 -0.079 0.104 0.424 80 P HA 0.191 4.736 4.420 -0.056 -0.159 0.271 80 P C -0.421 176.825 177.300 -0.090 0.000 1.220 80 P CA -0.590 62.464 63.100 -0.077 0.000 0.768 80 P CB 0.142 31.809 31.700 -0.056 0.000 0.848 81 A N 3.371 126.163 122.820 -0.046 0.000 2.278 81 A HA 0.093 4.579 4.320 -0.052 -0.197 0.212 81 A C -0.102 177.513 177.584 0.052 0.000 1.213 81 A CA 0.090 52.122 52.037 -0.008 0.000 0.840 81 A CB 0.172 19.189 19.000 0.029 0.000 0.866 81 A HN 0.575 9.090 8.150 -0.033 -0.385 0.489 82 R N -2.173 118.350 120.500 0.037 0.000 3.039 82 R HA 0.059 4.467 4.340 0.112 0.000 0.336 82 R C 0.009 176.368 176.300 0.099 0.000 1.258 82 R CA -1.421 54.725 56.100 0.077 0.000 1.125 82 R CB -1.200 29.128 30.300 0.047 0.000 1.427 82 R HN -0.126 8.053 8.270 0.002 0.092 0.588 83 G N -0.769 108.108 108.800 0.128 0.000 2.323 83 G HA2 -0.321 3.702 3.960 0.105 0.000 0.292 83 G HA3 -0.321 3.814 3.960 0.292 0.000 0.292 83 G C -0.220 174.714 174.900 0.056 0.000 1.040 83 G CA 0.628 45.829 45.100 0.167 0.000 0.942 83 G HN -0.327 7.942 8.290 0.098 0.080 0.506 84 G N -1.166 107.624 108.800 -0.016 0.000 3.224 84 G HA2 0.004 3.965 3.960 0.001 0.000 0.161 84 G HA3 0.004 3.944 3.960 -0.033 0.000 0.161 84 G C -1.324 173.553 174.900 -0.039 0.000 1.872 84 G CA -0.368 44.719 45.100 -0.022 0.000 1.012 84 G HN -0.465 7.795 8.290 -0.050 0.000 0.504 85 L N 1.127 122.317 121.223 -0.056 0.000 2.343 85 L HA 0.412 4.722 4.340 -0.050 0.000 0.278 85 L C -2.068 174.748 176.870 -0.090 0.000 0.996 85 L CA -2.363 52.443 54.840 -0.058 0.000 0.831 85 L CB 0.249 42.286 42.059 -0.038 0.000 1.232 85 L HN -0.242 7.954 8.230 -0.057 0.000 0.413 86 P HA 0.116 4.472 4.420 -0.195 -0.053 0.273 86 P C -1.192 176.049 177.300 -0.098 0.000 1.250 86 P CA -0.773 62.240 63.100 -0.145 0.000 0.793 86 P CB 0.830 32.440 31.700 -0.151 0.000 1.011 87 I N -0.575 119.929 120.570 -0.109 0.000 2.499 87 I HA 0.127 4.288 4.170 -0.016 0.000 0.296 87 I C -0.682 175.446 176.117 0.018 0.000 0.992 87 I CA -0.105 61.182 61.300 -0.022 0.000 1.297 87 I CB 0.967 39.002 38.000 0.059 0.000 1.410 87 I HN -0.122 7.976 8.210 -0.187 0.000 0.507 88 T N 1.065 115.642 114.554 0.038 0.000 2.886 88 T HA 0.413 5.056 4.350 0.080 -0.244 0.292 88 T C -1.071 173.661 174.700 0.054 0.000 1.012 88 T CA -1.736 60.396 62.100 0.053 0.000 0.982 88 T CB 2.514 71.394 68.868 0.019 0.000 1.018 88 T HN 0.025 8.281 8.240 0.025 0.000 0.451 89 Q N 3.579 123.447 119.800 0.113 0.000 2.323 89 Q HA 0.308 4.568 4.340 -0.133 0.000 0.271 89 Q C -1.755 174.162 176.000 -0.138 0.000 1.048 89 Q CA -1.279 54.507 55.803 -0.027 0.000 0.792 89 Q CB 3.923 32.715 28.738 0.089 0.000 1.280 89 Q HN 0.285 8.671 8.270 0.193 0.000 0.441 90 L N 3.817 124.797 121.223 -0.404 0.000 2.350 90 L HA 0.503 4.967 4.340 -0.035 -0.145 0.275 90 L C -1.840 174.629 176.870 -0.669 0.000 1.099 90 L CA -0.362 54.299 54.840 -0.298 0.000 0.808 90 L CB 1.970 43.922 42.059 -0.178 0.000 1.149 90 L HN 0.388 8.383 8.230 -0.392 0.000 0.442 91 F N 3.474 123.414 119.950 -0.017 0.000 2.585 91 F HA 0.670 5.460 4.527 -0.012 -0.270 0.319 91 F C -0.710 175.091 175.800 0.001 0.000 1.165 91 F CA -1.750 56.243 58.000 -0.011 0.000 0.949 91 F CB 3.060 42.050 39.000 -0.016 0.000 1.218 91 F HN -0.238 8.179 8.300 0.194 0.000 0.453 92 R N 2.831 123.411 120.500 0.133 0.000 2.349 92 R HA 0.329 4.727 4.340 0.097 0.000 0.299 92 R C -1.623 174.740 176.300 0.105 0.000 1.027 92 R CA -0.488 55.669 56.100 0.095 0.000 0.958 92 R CB 2.132 32.461 30.300 0.048 0.000 1.047 92 R HN -0.041 8.284 8.270 0.091 0.000 0.468 93 I N 2.556 123.184 120.570 0.097 0.000 2.619 93 I HA 0.239 4.679 4.170 0.080 -0.222 0.292 93 I C -1.636 174.527 176.117 0.076 0.000 1.100 93 I CA -1.378 59.975 61.300 0.089 0.000 1.043 93 I CB 4.307 42.369 38.000 0.102 0.000 1.239 93 I HN -0.290 7.978 8.210 0.096 0.000 0.420 94 L N 5.536 126.796 121.223 0.063 0.000 2.272 94 L HA 0.403 4.939 4.340 0.058 -0.161 0.289 94 L C -1.246 175.658 176.870 0.057 0.000 1.032 94 L CA -1.103 53.770 54.840 0.055 0.000 0.810 94 L CB 0.342 42.427 42.059 0.042 0.000 1.205 94 L HN 0.392 8.737 8.230 0.058 -0.080 0.422 95 N N 3.269 122.007 118.700 0.064 0.000 2.599 95 N HA 0.443 5.216 4.740 0.054 0.000 0.309 95 N C -0.970 174.577 175.510 0.060 0.000 1.743 95 N CA -2.040 51.049 53.050 0.066 0.000 0.918 95 N CB 1.150 39.692 38.487 0.092 0.000 1.339 95 N HN 0.080 8.500 8.380 0.066 0.000 0.493 96 P HA -0.042 4.406 4.420 0.046 0.000 0.223 96 P C -0.298 177.022 177.300 0.034 0.000 1.151 96 P CA 1.182 64.307 63.100 0.041 0.000 0.787 96 P CB -0.305 31.414 31.700 0.032 0.000 0.788 97 N N -2.621 116.095 118.700 0.027 0.000 2.571 97 N HA -0.095 4.652 4.740 0.013 0.000 0.189 97 N C -0.375 175.141 175.510 0.009 0.000 1.154 97 N CA 0.189 53.248 53.050 0.014 0.000 0.907 97 N CB -0.181 38.309 38.487 0.005 0.000 0.977 97 N HN 0.115 8.473 8.380 0.029 0.039 0.449 98 K N -4.957 115.461 120.400 0.029 0.000 3.077 98 K HA -0.392 3.977 4.320 0.081 0.000 0.264 98 K C -1.794 174.786 176.600 -0.033 0.000 1.008 98 K CA 0.733 57.041 56.287 0.035 0.000 0.740 98 K CB -2.575 29.947 32.500 0.037 0.000 1.273 98 K HN -0.631 7.535 8.250 0.043 0.110 0.477 99 A N -0.879 121.920 122.820 -0.035 0.000 2.328 99 A HA 0.323 4.550 4.320 -0.156 0.000 0.318 99 A C -2.281 175.246 177.584 -0.096 0.000 1.347 99 A CA -2.673 49.309 52.037 -0.093 0.000 0.842 99 A CB 1.120 20.085 19.000 -0.058 0.000 1.148 99 A HN -0.503 7.640 8.150 0.003 0.009 0.499 100 P HA 0.015 4.424 4.420 -0.018 0.000 0.259 100 P C -1.507 175.731 177.300 -0.104 0.000 1.635 100 P CA -0.011 62.966 63.100 -0.206 0.000 1.199 100 P CB -1.385 29.877 31.700 -0.730 0.000 1.850 101 L N 1.607 122.817 121.223 -0.021 0.000 2.569 101 L HA 0.165 4.490 4.340 -0.024 0.000 0.247 101 L C -0.773 176.121 176.870 0.039 0.000 1.135 101 L CA -0.841 53.999 54.840 -0.001 0.000 0.812 101 L CB 1.372 43.434 42.059 0.006 0.000 1.431 101 L HN -0.307 7.905 8.230 0.007 0.022 0.499 102 R N -2.621 117.904 120.500 0.042 0.000 2.810 102 R HA 0.136 4.529 4.340 0.089 0.000 0.245 102 R C -2.116 174.224 176.300 0.067 0.000 1.168 102 R CA -1.221 54.919 56.100 0.067 0.000 1.096 102 R CB 2.128 32.463 30.300 0.059 0.000 1.259 102 R HN -0.133 8.153 8.270 0.027 0.000 0.518 103 L N -1.006 120.265 121.223 0.080 0.000 2.410 103 L HA 0.451 4.808 4.340 0.028 0.000 0.270 103 L C -2.348 174.537 176.870 0.026 0.000 0.983 103 L CA -0.398 54.471 54.840 0.048 0.000 0.822 103 L CB 4.015 46.108 42.059 0.058 0.000 1.285 103 L HN -0.133 8.158 8.230 0.102 0.000 0.409 104 K N 5.032 125.418 120.400 -0.023 0.000 2.172 104 K HA 0.219 4.522 4.320 -0.028 0.000 0.276 104 K C -1.603 174.908 176.600 -0.148 0.000 1.013 104 K CA -0.775 55.475 56.287 -0.062 0.000 0.913 104 K CB 1.865 34.327 32.500 -0.063 0.000 1.055 104 K HN 0.024 8.256 8.250 -0.029 0.000 0.461 105 L N 5.769 126.838 121.223 -0.256 0.000 2.342 105 L HA 0.371 4.648 4.340 -0.310 -0.123 0.276 105 L C -2.050 174.448 176.870 -0.620 0.000 0.997 105 L CA -1.181 53.406 54.840 -0.421 0.000 0.838 105 L CB 2.299 44.132 42.059 -0.377 0.000 1.224 105 L HN 0.427 8.505 8.230 -0.253 0.000 0.416 106 R N 4.676 124.953 120.500 -0.372 0.000 2.255 106 R HA 0.289 4.419 4.340 -0.350 0.000 0.326 106 R C -2.405 173.765 176.300 -0.217 0.000 0.986 106 R CA -1.929 53.996 56.100 -0.292 0.000 0.847 106 R CB 1.746 31.941 30.300 -0.175 0.000 1.111 106 R HN 0.675 8.665 8.270 -0.286 0.109 0.452 107 L N 6.455 127.578 121.223 -0.165 0.000 2.341 107 L HA 0.719 5.233 4.340 0.041 -0.149 0.278 107 L C -0.990 175.926 176.870 0.077 0.000 1.005 107 L CA -1.098 53.755 54.840 0.021 0.000 0.818 107 L CB 2.877 44.982 42.059 0.077 0.000 1.259 107 L HN -0.221 7.885 8.230 -0.208 0.000 0.418 108 T N 0.478 115.123 114.554 0.151 0.000 3.335 108 T HA 0.782 5.333 4.350 0.032 -0.182 0.321 108 T C -1.003 173.840 174.700 0.238 0.000 0.960 108 T CA -1.096 61.064 62.100 0.101 0.000 1.034 108 T CB 1.698 70.569 68.868 0.006 0.000 1.040 108 T HN 0.187 8.522 8.240 0.158 0.000 0.454 109 Y N 0.367 120.724 120.300 0.095 0.000 2.840 109 Y HA 0.463 5.082 4.550 0.115 0.000 0.324 109 Y C -3.458 172.508 175.900 0.109 0.000 1.378 109 Y CA -1.974 56.206 58.100 0.133 0.000 1.077 109 Y CB 1.733 40.336 38.460 0.238 0.000 1.361 109 Y HN 0.748 8.905 8.280 -0.205 0.000 0.459 110 D N -0.021 120.517 120.400 0.229 0.000 2.375 110 D HA 0.566 5.374 4.640 0.013 -0.160 0.247 110 D C -2.014 174.467 176.300 0.301 0.000 1.061 110 D CA -1.011 53.067 54.000 0.130 0.000 0.834 110 D CB 3.083 43.934 40.800 0.085 0.000 1.247 110 D HN 0.160 8.772 8.370 0.403 0.000 0.489 111 H N 4.439 123.599 119.070 0.150 0.000 2.679 111 H HA 0.230 4.934 4.556 0.247 0.000 0.360 111 H C -0.960 174.597 175.328 0.381 0.000 1.105 111 H CA -1.378 54.848 56.048 0.296 0.000 1.196 111 H CB 3.713 33.733 29.762 0.430 0.000 1.636 111 H HN 0.302 8.715 8.280 0.222 0.000 0.531 112 F N 2.696 122.733 119.950 0.145 0.000 2.943 112 F HA -0.305 4.387 4.527 0.276 0.000 0.258 112 F C -0.932 175.046 175.800 0.297 0.000 0.995 112 F CA 0.895 58.987 58.000 0.152 0.000 0.896 112 F CB -1.478 37.485 39.000 -0.063 0.000 0.821 112 F HN 0.540 8.965 8.300 0.209 0.000 0.828 113 H N -6.583 112.566 119.070 0.133 0.000 2.692 113 H HA -0.303 4.350 4.556 0.068 -0.056 0.316 113 H C -1.188 174.194 175.328 0.089 0.000 1.176 113 H CA 1.096 57.197 56.048 0.089 0.000 1.142 113 H CB -2.283 27.518 29.762 0.064 0.000 1.475 113 H HN 0.265 8.568 8.280 0.039 0.000 0.423 114 Q N -2.995 116.915 119.800 0.184 0.000 2.482 114 Q HA 0.300 4.698 4.340 0.096 0.000 0.286 114 Q C -1.665 174.374 176.000 0.066 0.000 1.007 114 Q CA -1.827 54.047 55.803 0.118 0.000 0.801 114 Q CB 4.828 33.637 28.738 0.119 0.000 1.455 114 Q HN -0.339 8.159 8.270 0.186 -0.116 0.398 115 S N 1.930 117.643 115.700 0.023 0.000 2.499 115 S HA 0.040 4.490 4.470 -0.033 0.000 0.275 115 S C -0.218 174.337 174.600 -0.075 0.000 1.257 115 S CA 0.438 58.623 58.200 -0.025 0.000 1.050 115 S CB 0.576 63.766 63.200 -0.017 0.000 0.937 115 S HN 0.198 8.525 8.310 0.029 0.000 0.490 116 V N 7.860 127.650 119.914 -0.206 0.000 2.326 116 V HA 0.145 4.162 4.120 -0.173 0.000 0.281 116 V C -2.280 173.632 176.094 -0.304 0.000 1.015 116 V CA -1.240 60.851 62.300 -0.348 0.000 0.823 116 V CB 0.836 32.138 31.823 -0.868 0.000 1.009 116 V HN 0.889 8.945 8.190 -0.223 0.000 0.436 117 Q N 8.071 127.802 119.800 -0.115 0.000 2.327 117 Q HA 0.428 4.881 4.340 -0.056 -0.147 0.270 117 Q C -1.066 174.954 176.000 0.033 0.000 1.022 117 Q CA -1.171 54.606 55.803 -0.043 0.000 0.773 117 Q CB 2.375 31.098 28.738 -0.024 0.000 1.251 117 Q HN 0.453 8.682 8.270 -0.069 0.000 0.457 118 E N 7.582 127.824 120.200 0.070 0.000 2.294 118 E HA 0.279 4.731 4.350 0.170 0.000 0.272 118 E C -1.952 174.720 176.600 0.120 0.000 0.896 118 E CA -0.569 55.939 56.400 0.181 0.000 0.802 118 E CB 2.982 32.907 29.700 0.376 0.000 1.267 118 E HN -0.040 8.343 8.360 0.038 0.000 0.406 119 I N 3.146 123.767 120.570 0.086 0.000 2.404 119 I HA 0.376 4.356 4.170 -0.317 0.000 0.293 119 I C -0.287 175.866 176.117 0.059 0.000 0.992 119 I CA -0.890 60.361 61.300 -0.082 0.000 1.149 119 I CB 1.855 39.814 38.000 -0.069 0.000 1.315 119 I HN 0.298 8.580 8.210 0.120 0.000 0.446 120 F N 5.103 125.099 119.950 0.077 0.000 2.645 120 F HA 0.527 5.097 4.527 0.072 0.000 0.310 120 F C -2.216 173.618 175.800 0.057 0.000 1.102 120 F CA -1.867 56.181 58.000 0.081 0.000 0.952 120 F CB 2.715 41.789 39.000 0.124 0.000 1.326 120 F HN 0.404 8.184 8.300 -0.867 0.000 0.456 121 E N 0.918 121.290 120.200 0.287 0.000 2.185 121 E HA 0.200 4.630 4.350 0.134 0.000 0.261 121 E C -0.789 175.941 176.600 0.218 0.000 0.879 121 E CA -1.183 55.326 56.400 0.183 0.000 0.756 121 E CB 2.307 32.066 29.700 0.099 0.000 1.152 121 E HN 0.139 8.677 8.360 0.298 0.000 0.416 122 V N 6.169 126.218 119.914 0.225 0.000 2.390 122 V HA -0.162 4.075 4.120 0.194 0.000 0.260 122 V C -0.480 175.700 176.094 0.144 0.000 1.043 122 V CA -0.421 61.998 62.300 0.199 0.000 1.047 122 V CB -1.988 29.971 31.823 0.227 0.000 1.066 122 V HN -0.211 8.107 8.190 0.213 0.000 0.481 123 N N 8.198 126.967 118.700 0.114 0.000 2.205 123 N HA -0.017 4.772 4.740 0.083 0.000 0.201 123 N C -0.603 174.951 175.510 0.074 0.000 1.128 123 N CA 0.954 54.055 53.050 0.084 0.000 0.867 123 N CB 0.264 38.791 38.487 0.067 0.000 0.996 123 N HN -0.051 8.398 8.380 0.115 0.000 0.503 124 N N -0.576 118.172 118.700 0.081 0.000 2.451 124 N HA -0.066 4.705 4.740 0.052 0.000 0.264 124 N C -0.931 174.614 175.510 0.059 0.000 1.167 124 N CA -0.697 52.391 53.050 0.063 0.000 0.898 124 N CB -1.112 37.408 38.487 0.054 0.000 1.176 124 N HN -0.071 8.313 8.380 0.098 0.055 0.507 125 L N 0.745 122.006 121.223 0.062 0.000 2.467 125 L HA -0.016 4.319 4.340 -0.008 0.000 0.270 125 L C -0.731 176.095 176.870 -0.073 0.000 1.205 125 L CA -0.964 53.871 54.840 -0.008 0.000 0.828 125 L CB -0.471 41.603 42.059 0.024 0.000 1.101 125 L HN -0.503 7.681 8.230 0.079 0.094 0.479 126 P HA 0.093 4.440 4.420 -0.122 0.000 0.272 126 P C -1.001 176.208 177.300 -0.150 0.000 1.230 126 P CA -0.943 62.033 63.100 -0.207 0.000 0.788 126 P CB 0.676 32.172 31.700 -0.339 0.000 0.949 127 V N 1.749 121.568 119.914 -0.159 0.000 2.649 127 V HA -0.183 3.925 4.120 -0.019 0.000 0.248 127 V C 1.135 176.773 176.094 -0.759 0.000 1.054 127 V CA 2.582 64.705 62.300 -0.295 0.000 1.073 127 V CB 0.639 32.361 31.823 -0.167 0.000 0.699 127 V HN 0.220 8.323 8.190 -0.144 0.000 0.463 128 E N -0.367 119.551 120.200 -0.470 0.000 2.171 128 E HA -0.269 3.786 4.350 -0.491 0.000 0.197 128 E C 0.661 177.026 176.600 -0.393 0.000 0.997 128 E CA 2.992 59.138 56.400 -0.425 0.000 0.810 128 E CB -0.466 29.084 29.700 -0.251 0.000 0.738 128 E HN 0.544 8.707 8.360 -0.329 0.000 0.467 129 S N -2.832 112.669 115.700 -0.331 0.000 2.389 129 S HA -0.226 4.169 4.470 -0.126 0.000 0.229 129 S C 0.935 175.492 174.600 -0.072 0.000 1.048 129 S CA 2.182 60.277 58.200 -0.175 0.000 1.117 129 S CB -0.572 62.531 63.200 -0.162 0.000 1.020 129 S HN -0.222 7.858 8.310 -0.351 0.020 0.430 130 W N -0.758 120.514 121.300 -0.046 0.000 2.480 130 W HA -0.028 4.627 4.660 -0.008 0.000 0.299 130 W C 0.655 177.164 176.519 -0.017 0.000 1.187 130 W CA -0.998 56.334 57.345 -0.021 0.000 1.347 130 W CB 0.024 29.473 29.460 -0.019 0.000 1.121 130 W HN -0.870 7.199 8.180 -0.185 0.000 0.533 131 Q N 0.000 119.064 119.800 -1.227 0.000 2.315 131 Q HA 0.000 3.873 4.340 -0.779 0.000 0.214 131 Q CA 0.000 55.130 55.803 -1.121 0.000 1.022 131 Q CB 0.000 27.819 28.738 -1.531 0.000 1.108 131 Q HN 0.000 6.848 8.270 -2.370 0.000 0.481