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 2vb1_1_A DATA FIRST_RESID 1 DATA SEQUENCE KVFGRcELAA AMKRHGLDNY RGYSLGNWVc AAKFESNFNT QATNRNTDGS DATA SEQUENCE TDYGILQINS RWWcNDGRTP GSRNLcNIPc SALLSSDITA SVNcAKKIVS DATA SEQUENCE DGNGMNAWVA WRNRcKGTDV QAWIRGcRL 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 K HA 0.000 4.276 4.320 -0.073 0.000 0.191 1 K C 0.000 176.607 176.600 0.011 0.000 0.988 1 K CA 0.000 56.253 56.287 -0.056 0.000 0.838 1 K CB 0.000 32.396 32.500 -0.173 0.000 1.064 2 V N 4.787 124.692 119.914 -0.015 0.000 2.334 2 V HA 0.402 4.825 4.120 0.182 -0.194 0.281 2 V C -0.533 175.591 176.094 0.050 0.000 1.016 2 V CA -1.289 61.067 62.300 0.092 0.000 0.832 2 V CB -0.040 31.837 31.823 0.090 0.000 0.999 2 V HN 0.320 8.475 8.190 -0.059 0.000 0.439 3 F N 8.190 128.154 119.950 0.023 0.000 2.444 3 F HA -0.025 4.451 4.527 -0.086 0.000 0.331 3 F C 0.412 176.116 175.800 -0.160 0.000 1.167 3 F CA 1.001 58.936 58.000 -0.107 0.000 1.262 3 F CB 1.200 40.056 39.000 -0.240 0.000 1.196 3 F HN 0.129 8.710 8.300 0.469 0.000 0.583 4 G N -0.557 108.249 108.800 0.010 0.000 2.507 4 G HA2 0.173 4.277 3.960 -0.016 0.000 0.271 4 G HA3 0.173 4.130 3.960 -0.005 0.000 0.271 4 G C -0.444 174.271 174.900 -0.309 0.000 1.189 4 G CA -1.362 43.697 45.100 -0.068 0.000 0.859 4 G HN 0.007 8.309 8.290 0.021 0.000 0.542 5 R N 0.996 121.349 120.500 -0.244 0.000 2.094 5 R HA -0.376 3.516 4.340 -0.746 0.000 0.239 5 R C 1.560 177.781 176.300 -0.131 0.000 1.137 5 R CA 3.867 59.802 56.100 -0.274 0.000 0.943 5 R CB -0.098 30.304 30.300 0.171 0.000 0.850 5 R HN 0.455 8.704 8.270 -0.035 0.000 0.433 6 c N -4.252 114.334 118.600 -0.023 0.000 2.440 6 c HA -0.113 4.468 4.570 0.019 0.000 0.278 6 c C 2.054 176.144 174.090 0.000 0.000 1.295 6 c CA 2.672 59.005 56.329 0.005 0.000 1.738 6 c CB -1.401 41.122 42.510 0.022 0.000 1.987 6 c HN 0.285 8.510 8.230 -0.008 0.000 0.492 7 E N -0.149 120.061 120.200 0.017 0.000 2.077 7 E HA -0.351 4.045 4.350 0.075 0.000 0.193 7 E C 1.843 178.509 176.600 0.110 0.000 0.989 7 E CA 3.535 59.992 56.400 0.096 0.000 0.800 7 E CB -0.789 28.997 29.700 0.143 0.000 0.746 7 E HN -0.207 8.156 8.360 0.005 0.000 0.452 8 L N -0.781 120.420 121.223 -0.038 0.000 2.056 8 L HA -0.276 3.706 4.340 -0.598 0.000 0.207 8 L C 1.346 178.076 176.870 -0.233 0.000 1.078 8 L CA 2.818 57.425 54.840 -0.390 0.000 0.749 8 L CB -0.544 41.109 42.059 -0.676 0.000 0.901 8 L HN -0.118 8.070 8.230 -0.070 0.000 0.433 9 A N -0.870 121.876 122.820 -0.122 0.000 1.883 9 A HA -0.466 3.833 4.320 -0.035 0.000 0.217 9 A C 1.589 179.155 177.584 -0.030 0.000 1.186 9 A CA 3.239 55.252 52.037 -0.039 0.000 0.624 9 A CB -1.020 17.994 19.000 0.023 0.000 0.822 9 A HN 0.013 8.090 8.150 -0.121 0.000 0.444 10 A N -2.594 120.218 122.820 -0.014 0.000 1.902 10 A HA -0.297 4.024 4.320 0.000 0.000 0.217 10 A C 1.869 179.449 177.584 -0.008 0.000 1.181 10 A CA 2.832 54.869 52.037 -0.001 0.000 0.623 10 A CB -0.682 18.327 19.000 0.016 0.000 0.818 10 A HN -0.239 7.905 8.150 -0.010 0.000 0.443 11 A N -1.389 121.427 122.820 -0.008 0.000 1.902 11 A HA -0.370 3.979 4.320 0.048 0.000 0.217 11 A C 2.164 179.745 177.584 -0.005 0.000 1.181 11 A CA 2.994 55.040 52.037 0.016 0.000 0.623 11 A CB -0.431 18.582 19.000 0.022 0.000 0.818 11 A HN -0.401 7.743 8.150 -0.010 0.000 0.443 12 M N -1.836 117.700 119.600 -0.106 0.000 2.159 12 M HA -0.487 3.896 4.480 -0.163 0.000 0.263 12 M C 2.050 178.291 176.300 -0.099 0.000 1.063 12 M CA 4.223 59.436 55.300 -0.145 0.000 1.110 12 M CB -0.025 32.458 32.600 -0.194 0.000 1.374 12 M HN 0.088 8.294 8.290 -0.141 0.000 0.411 13 K N -0.096 120.270 120.400 -0.057 0.000 2.057 13 K HA -0.279 4.158 4.320 -0.037 -0.139 0.206 13 K C 3.145 179.714 176.600 -0.051 0.000 1.050 13 K CA 3.096 59.361 56.287 -0.036 0.000 0.935 13 K CB -0.225 32.271 32.500 -0.007 0.000 0.715 13 K HN -0.160 8.061 8.250 -0.048 0.000 0.439 14 R N -1.872 118.590 120.500 -0.063 0.000 2.127 14 R HA -0.268 4.009 4.340 -0.106 0.000 0.238 14 R C 2.006 178.173 176.300 -0.222 0.000 1.134 14 R CA 2.699 58.723 56.100 -0.128 0.000 0.975 14 R CB -0.037 30.173 30.300 -0.151 0.000 0.865 14 R HN -0.375 7.867 8.270 -0.046 0.000 0.447 15 H N -3.704 115.295 119.070 -0.118 0.000 2.536 15 H HA 0.139 4.622 4.556 -0.121 0.000 0.276 15 H C -0.215 174.998 175.328 -0.191 0.000 1.019 15 H CA 0.325 56.281 56.048 -0.153 0.000 1.159 15 H CB 0.104 29.752 29.762 -0.191 0.000 1.373 15 H HN -0.672 7.486 8.280 -0.021 0.109 0.584 16 G N -1.803 106.952 108.800 -0.074 0.000 2.132 16 G HA2 -0.426 3.502 3.960 -0.053 0.000 0.234 16 G HA3 -0.426 3.518 3.960 -0.027 0.000 0.234 16 G C -0.754 174.073 174.900 -0.122 0.000 0.989 16 G CA 0.716 45.777 45.100 -0.066 0.000 0.676 16 G HN -0.249 7.807 8.290 -0.072 0.191 0.522 17 L N -1.556 119.523 121.223 -0.241 0.000 2.341 17 L HA 0.023 4.060 4.340 -0.504 0.000 0.214 17 L C -0.361 176.477 176.870 -0.054 0.000 1.115 17 L CA 0.677 55.254 54.840 -0.439 0.000 0.820 17 L CB 0.491 42.032 42.059 -0.863 0.000 0.944 17 L HN -0.609 7.492 8.230 -0.217 0.000 0.452 18 D N -1.433 118.996 120.400 0.049 0.000 2.426 18 D HA -0.243 4.536 4.640 0.230 0.000 0.261 18 D C -0.580 175.843 176.300 0.204 0.000 1.245 18 D CA 0.986 55.084 54.000 0.164 0.000 0.917 18 D CB -1.513 39.347 40.800 0.101 0.000 1.123 18 D HN -0.141 8.229 8.370 0.001 0.000 0.508 19 N N -2.992 115.870 118.700 0.271 0.000 2.800 19 N HA -0.518 4.324 4.740 0.230 0.036 0.250 19 N C -1.334 174.327 175.510 0.252 0.000 1.078 19 N CA 1.370 54.558 53.050 0.230 0.000 0.804 19 N CB -1.691 36.869 38.487 0.122 0.000 1.135 19 N HN 0.167 8.739 8.380 0.320 0.000 0.565 20 Y N 2.693 123.149 120.300 0.259 0.000 2.650 20 Y HA -0.336 4.300 4.550 0.144 0.000 0.331 20 Y C 0.450 176.544 175.900 0.324 0.000 1.165 20 Y CA 3.032 61.271 58.100 0.231 0.000 1.473 20 Y CB 0.408 38.959 38.460 0.151 0.000 1.224 20 Y HN -0.418 8.058 8.280 0.539 0.128 0.533 21 R N 5.582 125.913 120.500 -0.281 0.000 3.502 21 R HA -0.392 3.822 4.340 -0.209 0.000 0.266 21 R C -0.661 175.587 176.300 -0.087 0.000 1.077 21 R CA 0.867 56.886 56.100 -0.136 0.000 0.718 21 R CB -3.284 26.957 30.300 -0.097 0.000 1.120 21 R HN 0.937 8.894 8.270 -0.521 0.000 0.457 22 G N -6.809 101.903 108.800 -0.146 0.000 2.175 22 G HA2 -0.349 3.326 3.960 -0.476 0.000 0.244 22 G HA3 -0.349 3.482 3.960 -0.215 0.000 0.244 22 G C -1.079 173.516 174.900 -0.508 0.000 0.982 22 G CA 0.022 44.914 45.100 -0.346 0.000 0.641 22 G HN 0.636 8.866 8.290 -0.064 0.022 0.527 23 Y N 0.924 121.284 120.300 0.100 0.000 2.717 23 Y HA 0.123 4.672 4.550 -0.002 0.000 0.329 23 Y C -0.503 175.523 175.900 0.209 0.000 1.017 23 Y CA -3.445 54.693 58.100 0.062 0.000 1.275 23 Y CB -1.241 37.114 38.460 -0.175 0.000 1.109 23 Y HN -0.409 7.708 8.280 0.153 0.254 0.511 24 S N 3.357 119.191 115.700 0.224 0.000 2.643 24 S HA -0.341 4.452 4.470 0.200 -0.203 0.310 24 S C 1.292 176.064 174.600 0.288 0.000 1.253 24 S CA 0.215 58.542 58.200 0.213 0.000 1.047 24 S CB 1.014 64.308 63.200 0.158 0.000 0.767 24 S HN -0.011 8.386 8.310 0.146 0.000 0.498 25 L N 6.924 128.323 121.223 0.293 0.000 2.013 25 L HA -0.249 4.393 4.340 0.504 0.000 0.212 25 L C 1.712 178.760 176.870 0.298 0.000 1.073 25 L CA 3.063 58.107 54.840 0.340 0.000 0.753 25 L CB -0.339 41.849 42.059 0.214 0.000 0.890 25 L HN 0.101 8.681 8.230 0.239 -0.208 0.432 26 G N -3.850 105.099 108.800 0.249 0.000 2.545 26 G HA2 -0.543 3.721 3.960 0.298 0.000 0.222 26 G HA3 -0.543 3.606 3.960 0.315 0.000 0.222 26 G C 1.367 176.395 174.900 0.214 0.000 1.126 26 G CA 2.469 47.737 45.100 0.279 0.000 0.754 26 G HN 0.365 8.783 8.290 0.231 0.011 0.583 27 N N 1.892 120.688 118.700 0.159 0.000 2.104 27 N HA -0.240 4.610 4.740 0.184 0.000 0.190 27 N C 2.004 177.443 175.510 -0.120 0.000 1.024 27 N CA 3.867 56.963 53.050 0.077 0.000 0.853 27 N CB -0.010 38.501 38.487 0.041 0.000 1.008 27 N HN -0.425 8.039 8.380 0.179 0.022 0.424 28 W N -0.885 120.395 121.300 -0.032 0.000 2.381 28 W HA -0.219 4.254 4.660 -0.312 0.000 0.301 28 W C 2.431 178.843 176.519 -0.177 0.000 1.205 28 W CA 3.107 60.337 57.345 -0.192 0.000 1.285 28 W CB -0.101 29.243 29.460 -0.193 0.000 1.133 28 W HN -0.486 7.719 8.180 0.041 0.000 0.521 29 V N 0.015 120.004 119.914 0.125 0.000 2.358 29 V HA -0.462 3.706 4.120 0.079 0.000 0.246 29 V C 1.935 177.931 176.094 -0.164 0.000 1.047 29 V CA 3.984 66.324 62.300 0.068 0.000 1.035 29 V CB -0.813 31.109 31.823 0.166 0.000 0.658 29 V HN -0.041 8.261 8.190 0.186 0.000 0.452 30 c N -0.221 118.120 118.600 -0.431 0.000 2.413 30 c HA -0.434 3.102 4.570 -1.724 0.000 0.276 30 c C 1.689 175.543 174.090 -0.393 0.000 1.248 30 c CA 3.949 59.737 56.329 -0.902 0.000 1.742 30 c CB -2.226 39.876 42.510 -0.680 0.000 2.017 30 c HN -0.051 8.035 8.230 -0.239 0.000 0.481 31 A N -0.063 122.652 122.820 -0.175 0.000 1.902 31 A HA -0.338 3.978 4.320 -0.007 0.000 0.217 31 A C 1.717 179.199 177.584 -0.171 0.000 1.181 31 A CA 3.126 55.092 52.037 -0.119 0.000 0.623 31 A CB -0.696 18.135 19.000 -0.282 0.000 0.818 31 A HN -0.169 7.893 8.150 -0.146 0.000 0.443 32 A N -1.776 120.944 122.820 -0.168 0.000 1.933 32 A HA -0.191 4.212 4.320 -0.099 -0.142 0.218 32 A C 1.820 179.222 177.584 -0.302 0.000 1.175 32 A CA 2.580 54.557 52.037 -0.101 0.000 0.628 32 A CB -0.506 18.538 19.000 0.075 0.000 0.814 32 A HN -0.286 7.779 8.150 -0.141 0.000 0.444 33 K N 0.103 120.099 120.400 -0.673 0.000 2.044 33 K HA -0.281 2.823 4.320 -2.027 0.000 0.210 33 K C 2.196 178.175 176.600 -1.035 0.000 1.049 33 K CA 2.531 57.955 56.287 -1.437 0.000 0.927 33 K CB -0.309 31.104 32.500 -1.812 0.000 0.713 33 K HN -0.302 7.642 8.250 -0.511 0.000 0.443 34 F N -4.271 115.441 119.950 -0.396 0.000 2.569 34 F HA -0.045 4.348 4.527 -0.223 0.000 0.295 34 F C 1.594 177.311 175.800 -0.137 0.000 1.115 34 F CA 2.599 60.460 58.000 -0.232 0.000 1.450 34 F CB 0.331 39.216 39.000 -0.192 0.000 1.107 34 F HN -0.552 7.469 8.300 -0.465 0.000 0.563 35 E N -1.633 118.566 120.200 -0.001 0.000 2.046 35 E HA -0.138 4.260 4.350 0.082 0.000 0.190 35 E C 0.971 177.570 176.600 -0.002 0.000 0.982 35 E CA 2.400 58.823 56.400 0.039 0.000 0.800 35 E CB 0.543 30.287 29.700 0.073 0.000 0.756 35 E HN -0.225 8.102 8.360 -0.055 0.000 0.449 36 S N -5.757 109.903 115.700 -0.066 0.000 2.787 36 S HA 0.078 4.540 4.470 -0.014 0.000 0.255 36 S C -0.023 174.524 174.600 -0.087 0.000 1.051 36 S CA -0.335 57.843 58.200 -0.037 0.000 1.124 36 S CB 1.917 65.130 63.200 0.022 0.000 1.104 36 S HN -0.378 7.856 8.310 -0.127 0.000 0.623 37 N N 2.305 120.853 118.700 -0.253 0.000 2.725 37 N HA -0.334 4.173 4.740 -0.606 -0.130 0.249 37 N C -1.221 174.207 175.510 -0.136 0.000 1.103 37 N CA 1.377 54.225 53.050 -0.335 0.000 0.707 37 N CB -1.633 36.753 38.487 -0.168 0.000 1.043 37 N HN -0.289 7.826 8.380 -0.310 0.079 0.553 38 F N -11.265 108.655 119.950 -0.050 0.000 2.953 38 F HA -0.506 4.012 4.527 -0.015 0.000 0.292 38 F C -1.179 174.683 175.800 0.103 0.000 0.747 38 F CA 0.277 58.290 58.000 0.021 0.000 1.222 38 F CB -3.248 35.793 39.000 0.068 0.000 1.457 38 F HN -0.554 7.624 8.300 -0.154 0.030 0.383 39 N N 0.724 119.549 118.700 0.208 0.000 2.420 39 N HA 0.320 5.307 4.740 0.174 -0.143 0.249 39 N C 1.810 177.412 175.510 0.152 0.000 1.033 39 N CA -1.157 51.988 53.050 0.158 0.000 0.944 39 N CB 1.163 39.704 38.487 0.090 0.000 1.113 39 N HN -0.803 7.505 8.380 0.140 0.156 0.502 40 T N 6.574 121.237 114.554 0.182 0.000 2.977 40 T HA -0.325 4.116 4.350 0.152 0.000 0.271 40 T C 0.952 175.723 174.700 0.118 0.000 1.105 40 T CA 3.291 65.487 62.100 0.159 0.000 1.116 40 T CB -0.253 68.727 68.868 0.187 0.000 0.878 40 T HN 0.783 9.146 8.240 0.205 0.000 0.509 41 Q N -0.336 119.523 119.800 0.099 0.000 2.392 41 Q HA 0.081 4.477 4.340 0.094 0.000 0.203 41 Q C -0.327 175.718 176.000 0.074 0.000 0.917 41 Q CA -0.311 55.542 55.803 0.084 0.000 0.939 41 Q CB -0.072 28.704 28.738 0.063 0.000 1.063 41 Q HN -0.249 8.613 8.270 0.097 -0.535 0.516 42 A N 0.896 123.757 122.820 0.069 0.000 2.531 42 A HA -0.117 4.219 4.320 0.028 0.000 0.236 42 A C -1.595 175.997 177.584 0.013 0.000 1.062 42 A CA 1.294 53.354 52.037 0.039 0.000 0.760 42 A CB 0.205 19.228 19.000 0.038 0.000 0.995 42 A HN -0.670 7.464 8.150 0.081 0.064 0.501 43 T N 2.574 117.106 114.554 -0.036 0.000 3.031 43 T HA 0.524 4.938 4.350 -0.207 -0.188 0.305 43 T C -1.547 173.075 174.700 -0.130 0.000 0.985 43 T CA -0.363 61.656 62.100 -0.134 0.000 1.008 43 T CB 1.973 70.773 68.868 -0.114 0.000 1.005 43 T HN -0.133 8.092 8.240 -0.025 0.000 0.444 44 N N 5.747 124.347 118.700 -0.166 0.000 2.479 44 N HA 0.190 4.881 4.740 -0.082 0.000 0.261 44 N C -1.396 174.034 175.510 -0.134 0.000 0.979 44 N CA -1.277 51.709 53.050 -0.108 0.000 0.930 44 N CB 2.130 40.579 38.487 -0.063 0.000 1.172 44 N HN 0.275 8.509 8.380 -0.243 0.000 0.499 45 R N 6.027 126.467 120.500 -0.100 0.000 2.196 45 R HA 0.046 4.320 4.340 -0.109 0.000 0.340 45 R C -0.971 175.300 176.300 -0.048 0.000 1.043 45 R CA -0.383 55.666 56.100 -0.084 0.000 0.883 45 R CB 0.255 30.518 30.300 -0.062 0.000 1.078 45 R HN 0.354 8.576 8.270 -0.080 0.000 0.462 46 N N 5.112 123.788 118.700 -0.040 0.000 2.493 46 N HA 0.081 4.806 4.740 -0.025 0.000 0.275 46 N C 1.348 176.850 175.510 -0.013 0.000 1.186 46 N CA -0.623 52.412 53.050 -0.024 0.000 0.978 46 N CB 1.467 39.942 38.487 -0.021 0.000 1.184 46 N HN 0.118 8.471 8.380 -0.046 0.000 0.487 47 T N -2.332 112.216 114.554 -0.010 0.000 3.085 47 T HA -0.144 4.204 4.350 -0.004 0.000 0.263 47 T C 0.183 174.882 174.700 -0.001 0.000 1.127 47 T CA 2.054 64.150 62.100 -0.005 0.000 1.103 47 T CB -0.257 68.608 68.868 -0.005 0.000 0.921 47 T HN 0.339 8.572 8.240 -0.012 0.000 0.510 48 D N -1.573 118.826 120.400 -0.002 0.000 2.349 48 D HA -0.055 4.587 4.640 0.004 0.000 0.224 48 D C 0.879 177.185 176.300 0.011 0.000 1.029 48 D CA -0.637 53.364 54.000 0.003 0.000 0.879 48 D CB -0.793 40.007 40.800 -0.001 0.000 0.906 48 D HN -0.394 7.927 8.370 -0.005 0.046 0.528 49 G N -1.339 107.468 108.800 0.012 0.000 2.176 49 G HA2 -0.415 3.558 3.960 0.023 0.000 0.253 49 G HA3 -0.415 3.556 3.960 0.019 0.000 0.253 49 G C 0.046 174.967 174.900 0.035 0.000 0.979 49 G CA 0.361 45.474 45.100 0.021 0.000 0.641 49 G HN -0.455 7.752 8.290 0.007 0.086 0.530 50 S N 1.231 116.950 115.700 0.031 0.000 2.693 50 S HA 0.425 4.943 4.470 0.081 0.000 0.276 50 S C -0.852 173.764 174.600 0.026 0.000 1.192 50 S CA -0.723 57.509 58.200 0.053 0.000 0.994 50 S CB 2.589 65.817 63.200 0.047 0.000 1.012 50 S HN -0.229 8.600 8.310 0.021 -0.506 0.550 51 T N 2.284 116.866 114.554 0.046 0.000 2.909 51 T HA 0.520 4.946 4.350 -0.141 -0.160 0.299 51 T C -1.591 173.028 174.700 -0.135 0.000 1.073 51 T CA 0.054 62.072 62.100 -0.136 0.000 0.999 51 T CB 3.890 72.564 68.868 -0.322 0.000 1.098 51 T HN 0.335 8.655 8.240 0.133 0.000 0.477 52 D N 3.724 123.989 120.400 -0.226 0.000 2.193 52 D HA 0.393 5.247 4.640 0.072 -0.171 0.244 52 D C -1.224 174.942 176.300 -0.223 0.000 1.064 52 D CA -0.881 53.069 54.000 -0.083 0.000 0.845 52 D CB 1.857 42.645 40.800 -0.021 0.000 1.148 52 D HN 0.407 8.632 8.370 -0.242 0.000 0.464 53 Y N 1.051 121.398 120.300 0.078 0.000 2.376 53 Y HA 0.184 4.771 4.550 0.061 0.000 0.340 53 Y C 0.318 176.263 175.900 0.075 0.000 0.965 53 Y CA -0.932 57.211 58.100 0.070 0.000 1.078 53 Y CB 3.319 41.820 38.460 0.069 0.000 1.193 53 Y HN 0.210 8.626 8.280 0.300 0.043 0.452 54 G N 4.460 113.382 108.800 0.203 0.000 2.681 54 G HA2 -0.447 3.778 3.960 0.156 0.000 0.220 54 G HA3 -0.447 3.799 3.960 0.141 -0.202 0.220 54 G C 0.303 175.271 174.900 0.113 0.000 1.353 54 G CA -0.076 45.116 45.100 0.153 0.000 0.872 54 G HN 0.551 8.941 8.290 0.167 0.000 0.557 55 I N 1.062 121.685 120.570 0.088 0.000 2.143 55 I HA -0.405 3.812 4.170 0.079 0.000 0.245 55 I C 0.438 176.579 176.117 0.041 0.000 1.068 55 I CA 2.657 63.990 61.300 0.056 0.000 1.326 55 I CB 0.586 38.586 38.000 0.001 0.000 1.028 55 I HN 0.418 8.677 8.210 0.082 0.000 0.412 56 L N -5.738 115.526 121.223 0.068 0.000 2.857 56 L HA 0.106 4.460 4.340 0.023 0.000 0.249 56 L C -1.567 175.487 176.870 0.307 0.000 1.172 56 L CA -1.218 53.687 54.840 0.109 0.000 0.980 56 L CB -0.073 42.015 42.059 0.049 0.000 1.299 56 L HN -0.202 8.048 8.230 0.082 0.029 0.535 57 Q N -4.155 115.772 119.800 0.212 0.000 2.439 57 Q HA -0.421 4.080 4.340 0.152 -0.071 0.325 57 Q C -0.943 175.190 176.000 0.221 0.000 1.372 57 Q CA 1.138 57.057 55.803 0.192 0.000 0.909 57 Q CB -2.822 26.008 28.738 0.153 0.000 1.167 57 Q HN -0.405 7.836 8.270 0.165 0.128 0.418 58 I N -1.586 119.132 120.570 0.246 0.000 2.474 58 I HA -0.085 4.154 4.170 0.114 0.000 0.287 58 I C -0.296 175.984 176.117 0.272 0.000 1.048 58 I CA -0.186 61.236 61.300 0.204 0.000 1.383 58 I CB 1.086 39.198 38.000 0.187 0.000 1.412 58 I HN -0.588 7.775 8.210 0.255 0.000 0.531 59 N N 5.865 124.727 118.700 0.269 0.000 2.509 59 N HA 0.222 5.286 4.740 0.231 -0.185 0.287 59 N C 0.971 176.664 175.510 0.306 0.000 1.121 59 N CA -0.270 52.933 53.050 0.255 0.000 0.977 59 N CB 1.943 40.511 38.487 0.135 0.000 1.167 59 N HN 0.164 8.701 8.380 0.263 0.000 0.476 60 S N 3.490 119.354 115.700 0.272 0.000 2.603 60 S HA 0.070 4.808 4.470 0.215 -0.139 0.220 60 S C 0.468 175.149 174.600 0.136 0.000 0.967 60 S CA 1.427 59.763 58.200 0.227 0.000 0.920 60 S CB 0.489 63.870 63.200 0.301 0.000 0.773 60 S HN 0.250 8.716 8.310 0.260 0.000 0.529 61 R N 2.095 122.660 120.500 0.107 0.000 2.060 61 R HA -0.129 4.268 4.340 0.095 0.000 0.225 61 R C 0.901 177.277 176.300 0.127 0.000 1.155 61 R CA 3.423 59.587 56.100 0.107 0.000 0.930 61 R CB 0.392 30.753 30.300 0.101 0.000 0.829 61 R HN -0.462 8.114 8.270 0.102 -0.245 0.433 62 W N -3.916 117.156 121.300 -0.380 0.000 2.640 62 W HA 0.114 4.444 4.660 -0.549 0.000 0.268 62 W C 2.282 178.364 176.519 -0.729 0.000 1.263 62 W CA 1.166 58.058 57.345 -0.755 0.000 1.344 62 W CB -0.049 28.577 29.460 -1.390 0.000 1.093 62 W HN -0.170 8.012 8.180 0.003 0.000 0.603 63 W N -4.066 117.357 121.300 0.205 0.000 2.798 63 W HA 0.050 4.789 4.660 0.132 0.000 0.260 63 W C -1.302 175.255 176.519 0.064 0.000 1.165 63 W CA 1.176 58.594 57.345 0.123 0.000 1.501 63 W CB 2.165 31.678 29.460 0.087 0.000 1.023 63 W HN -0.542 7.684 8.180 0.078 0.000 0.615 64 c N -6.542 112.197 118.600 0.231 0.000 2.889 64 c HA 0.774 5.738 4.570 0.092 -0.338 0.307 64 c C -1.755 172.354 174.090 0.032 0.000 1.251 64 c CA -3.235 53.152 56.329 0.097 0.000 1.593 64 c CB 3.255 45.783 42.510 0.030 0.000 2.104 64 c HN -0.747 7.628 8.230 0.241 0.000 0.476 65 N N 0.598 119.289 118.700 -0.015 0.000 2.422 65 N HA 0.250 4.991 4.740 0.001 0.000 0.266 65 N C -0.566 174.909 175.510 -0.058 0.000 1.007 65 N CA -0.930 52.108 53.050 -0.020 0.000 0.941 65 N CB 2.317 40.794 38.487 -0.017 0.000 1.115 65 N HN 0.072 8.439 8.380 -0.021 0.000 0.492 66 D N 5.537 125.923 120.400 -0.022 0.000 2.433 66 D HA 0.062 4.665 4.640 -0.061 0.000 0.211 66 D C 0.534 176.848 176.300 0.024 0.000 1.114 66 D CA -1.444 52.548 54.000 -0.014 0.000 0.837 66 D CB 0.004 40.841 40.800 0.061 0.000 0.984 66 D HN 0.339 8.717 8.370 0.013 0.000 0.505 67 G N -0.511 108.301 108.800 0.020 0.000 2.189 67 G HA2 -0.401 3.569 3.960 0.016 0.000 0.267 67 G HA3 -0.401 3.567 3.960 0.013 0.000 0.267 67 G C 0.374 175.292 174.900 0.030 0.000 0.975 67 G CA 1.073 46.185 45.100 0.020 0.000 0.644 67 G HN -0.247 8.257 8.290 0.015 -0.205 0.537 68 R N -2.229 118.299 120.500 0.046 0.000 2.549 68 R HA 0.244 4.605 4.340 0.036 0.000 0.344 68 R C -1.126 175.203 176.300 0.049 0.000 0.979 68 R CA -0.909 55.220 56.100 0.047 0.000 1.140 68 R CB 1.920 32.255 30.300 0.058 0.000 1.377 68 R HN -0.199 8.317 8.270 0.057 -0.211 0.541 69 T N 2.201 116.786 114.554 0.052 0.000 2.794 69 T HA 0.557 5.070 4.350 0.051 -0.132 0.280 69 T C -2.292 172.430 174.700 0.037 0.000 0.987 69 T CA -2.439 59.693 62.100 0.053 0.000 0.993 69 T CB 1.261 70.174 68.868 0.076 0.000 0.939 69 T HN -0.614 7.656 8.240 0.050 0.000 0.449 70 P HA -0.080 4.350 4.420 0.017 0.000 0.272 70 P C 0.008 177.325 177.300 0.027 0.000 1.223 70 P CA -0.286 62.828 63.100 0.024 0.000 0.784 70 P CB 0.510 32.223 31.700 0.022 0.000 0.923 71 G N 0.790 109.598 108.800 0.012 0.000 2.198 71 G HA2 -0.364 3.610 3.960 0.024 0.000 0.260 71 G HA3 -0.364 3.588 3.960 -0.013 0.000 0.260 71 G C -0.572 174.324 174.900 -0.008 0.000 1.025 71 G CA 0.372 45.475 45.100 0.005 0.000 0.769 71 G HN 0.239 8.532 8.290 0.006 0.000 0.507 72 S N -1.174 114.519 115.700 -0.010 0.000 2.516 72 S HA -0.068 4.612 4.470 0.000 -0.210 0.282 72 S C 0.892 175.449 174.600 -0.072 0.000 1.286 72 S CA 0.174 58.362 58.200 -0.019 0.000 1.066 72 S CB 0.520 63.716 63.200 -0.007 0.000 0.884 72 S HN -0.389 7.917 8.310 -0.006 0.000 0.491 73 R N 6.385 126.817 120.500 -0.115 0.000 2.279 73 R HA 0.118 4.354 4.340 -0.175 0.000 0.195 73 R C -0.602 175.621 176.300 -0.128 0.000 0.905 73 R CA -0.336 55.651 56.100 -0.189 0.000 1.044 73 R CB 0.668 30.741 30.300 -0.379 0.000 1.056 73 R HN 0.108 8.323 8.270 -0.092 0.000 0.535 74 N N -0.578 118.079 118.700 -0.071 0.000 2.686 74 N HA -0.306 4.569 4.740 0.032 -0.116 0.261 74 N C 0.337 175.854 175.510 0.011 0.000 1.001 74 N CA 0.677 53.723 53.050 -0.006 0.000 0.764 74 N CB -1.328 37.157 38.487 -0.004 0.000 0.898 74 N HN -0.235 8.107 8.380 -0.062 0.000 0.544 75 L N -4.100 117.130 121.223 0.012 0.000 2.291 75 L HA -0.188 4.160 4.340 0.013 0.000 0.214 75 L C 0.186 177.188 176.870 0.220 0.000 1.120 75 L CA 2.061 56.946 54.840 0.074 0.000 0.799 75 L CB -0.497 41.556 42.059 -0.010 0.000 0.925 75 L HN 0.081 8.289 8.230 -0.036 0.000 0.446 76 c N -5.122 113.644 118.600 0.276 0.000 2.562 76 c HA -0.073 4.616 4.570 0.199 0.000 0.266 76 c C -0.348 173.804 174.090 0.103 0.000 1.382 76 c CA -0.190 56.259 56.329 0.201 0.000 1.742 76 c CB -1.740 40.892 42.510 0.203 0.000 1.812 76 c HN -0.242 8.145 8.230 0.306 0.026 0.559 77 N N -0.875 117.871 118.700 0.077 0.000 2.738 77 N HA -0.361 4.396 4.740 0.028 0.000 0.249 77 N C -1.606 173.920 175.510 0.026 0.000 1.047 77 N CA 0.905 53.978 53.050 0.039 0.000 0.707 77 N CB -1.139 37.368 38.487 0.032 0.000 0.937 77 N HN -0.297 8.025 8.380 0.086 0.109 0.545 78 I N -1.466 119.119 120.570 0.025 0.000 2.644 78 I HA 0.423 4.592 4.170 -0.001 0.000 0.291 78 I C -3.045 173.062 176.117 -0.017 0.000 1.180 78 I CA -3.304 58.000 61.300 0.006 0.000 1.040 78 I CB 3.271 41.279 38.000 0.013 0.000 1.255 78 I HN -0.430 8.060 8.210 0.037 -0.258 0.422 79 P HA 0.294 4.814 4.420 -0.070 -0.142 0.267 79 P C 0.733 177.945 177.300 -0.146 0.000 1.205 79 P CA -0.500 62.555 63.100 -0.074 0.000 0.765 79 P CB 0.072 31.735 31.700 -0.061 0.000 0.828 80 c N 4.186 122.624 118.600 -0.270 0.000 2.410 80 c HA -0.284 4.056 4.570 -0.384 0.000 0.281 80 c C 1.952 175.771 174.090 -0.451 0.000 1.318 80 c CA 3.577 59.582 56.329 -0.539 0.000 1.776 80 c CB -1.568 40.174 42.510 -1.279 0.000 1.942 80 c HN 0.368 8.349 8.230 -0.250 0.100 0.508 81 S N 1.189 116.731 115.700 -0.263 0.000 2.419 81 S HA -0.338 4.082 4.470 -0.084 0.000 0.235 81 S C 1.425 175.991 174.600 -0.056 0.000 1.019 81 S CA 2.985 61.119 58.200 -0.111 0.000 0.982 81 S CB -1.209 61.959 63.200 -0.053 0.000 0.789 81 S HN 0.076 8.186 8.310 -0.237 0.058 0.490 82 A N 2.139 124.920 122.820 -0.065 0.000 2.019 82 A HA -0.086 4.222 4.320 -0.020 0.000 0.219 82 A C 0.734 178.307 177.584 -0.017 0.000 1.164 82 A CA 2.347 54.364 52.037 -0.032 0.000 0.644 82 A CB -0.534 18.446 19.000 -0.033 0.000 0.805 82 A HN -0.210 7.859 8.150 -0.088 0.028 0.449 83 L N -5.180 116.031 121.223 -0.021 0.000 2.610 83 L HA -0.089 4.262 4.340 0.018 0.000 0.232 83 L C 0.421 177.339 176.870 0.079 0.000 1.149 83 L CA 0.847 55.705 54.840 0.030 0.000 0.872 83 L CB -0.865 41.227 42.059 0.055 0.000 0.992 83 L HN -0.454 7.595 8.230 -0.061 0.145 0.447 84 L N -5.426 115.841 121.223 0.075 0.000 2.728 84 L HA 0.395 5.009 4.340 0.119 -0.202 0.238 84 L C 0.240 177.152 176.870 0.071 0.000 1.143 84 L CA -1.436 53.464 54.840 0.100 0.000 0.937 84 L CB 0.124 42.259 42.059 0.127 0.000 1.225 84 L HN -0.756 7.313 8.230 0.043 0.186 0.507 85 S N -0.037 115.693 115.700 0.050 0.000 2.579 85 S HA -0.046 4.447 4.470 0.039 0.000 0.275 85 S C 0.601 175.241 174.600 0.067 0.000 1.345 85 S CA -0.393 57.833 58.200 0.043 0.000 1.031 85 S CB 1.411 64.626 63.200 0.025 0.000 0.892 85 S HN -0.809 7.458 8.310 0.040 0.066 0.529 86 S N 2.583 118.318 115.700 0.059 0.000 2.428 86 S HA -0.171 4.358 4.470 0.099 0.000 0.230 86 S C -0.096 174.581 174.600 0.128 0.000 1.014 86 S CA 2.176 60.420 58.200 0.074 0.000 0.957 86 S CB 0.234 63.442 63.200 0.014 0.000 0.784 86 S HN 0.233 8.569 8.310 0.042 0.000 0.499 87 D N 1.144 121.601 120.400 0.095 0.000 2.390 87 D HA -0.078 4.654 4.640 0.153 0.000 0.249 87 D C -0.095 176.236 176.300 0.052 0.000 1.144 87 D CA -0.116 53.946 54.000 0.102 0.000 0.880 87 D CB 1.413 42.250 40.800 0.061 0.000 1.182 87 D HN -0.800 7.608 8.370 0.064 0.000 0.451 88 I N -2.202 118.369 120.570 0.002 0.000 3.564 88 I HA 0.013 4.121 4.170 -0.103 0.000 0.294 88 I C 0.804 176.715 176.117 -0.344 0.000 1.289 88 I CA 0.410 61.613 61.300 -0.161 0.000 1.325 88 I CB -0.195 37.639 38.000 -0.277 0.000 1.039 88 I HN 0.008 8.254 8.210 0.059 0.000 0.474 89 T N 3.523 117.837 114.554 -0.401 0.000 2.597 89 T HA -0.495 3.059 4.350 -1.326 0.000 0.267 89 T C 1.118 175.610 174.700 -0.347 0.000 1.053 89 T CA 5.567 67.307 62.100 -0.600 0.000 1.165 89 T CB -0.524 68.246 68.868 -0.164 0.000 0.863 89 T HN -0.250 8.129 8.240 -0.230 -0.277 0.427 90 A N 0.029 122.740 122.820 -0.182 0.000 1.873 90 A HA -0.382 3.875 4.320 -0.106 0.000 0.215 90 A C 1.945 179.456 177.584 -0.122 0.000 1.186 90 A CA 3.374 55.341 52.037 -0.116 0.000 0.616 90 A CB -1.181 17.783 19.000 -0.060 0.000 0.823 90 A HN 0.527 8.576 8.150 -0.147 0.012 0.442 91 S N -0.763 114.865 115.700 -0.121 0.000 2.374 91 S HA -0.394 4.046 4.470 -0.051 0.000 0.227 91 S C 1.953 176.441 174.600 -0.187 0.000 1.037 91 S CA 4.578 62.715 58.200 -0.106 0.000 1.024 91 S CB -0.621 62.527 63.200 -0.086 0.000 0.861 91 S HN -0.486 7.750 8.310 -0.123 0.000 0.456 92 V N 1.816 121.546 119.914 -0.306 0.000 2.358 92 V HA -0.469 3.386 4.120 -0.443 0.000 0.246 92 V C 1.650 177.534 176.094 -0.350 0.000 1.047 92 V CA 4.048 66.104 62.300 -0.407 0.000 1.035 92 V CB -0.784 30.733 31.823 -0.511 0.000 0.658 92 V HN 0.196 8.100 8.190 -0.333 0.086 0.452 93 N N -0.239 118.308 118.700 -0.256 0.000 2.166 93 N HA -0.290 4.322 4.740 -0.214 0.000 0.186 93 N C 1.887 177.317 175.510 -0.133 0.000 1.019 93 N CA 3.286 56.228 53.050 -0.181 0.000 0.856 93 N CB -0.697 37.727 38.487 -0.105 0.000 0.993 93 N HN -0.088 8.140 8.380 -0.254 0.000 0.426 94 c N 0.774 119.315 118.600 -0.099 0.000 2.457 94 c HA -0.140 4.421 4.570 -0.015 0.000 0.278 94 c C 1.252 175.286 174.090 -0.093 0.000 1.309 94 c CA 1.757 58.057 56.329 -0.049 0.000 1.735 94 c CB -2.334 40.178 42.510 0.003 0.000 1.992 94 c HN 0.000 8.166 8.230 -0.107 0.000 0.493 95 A N 0.918 123.689 122.820 -0.081 0.000 1.908 95 A HA -0.465 4.019 4.320 0.273 0.000 0.218 95 A C 1.755 179.321 177.584 -0.029 0.000 1.181 95 A CA 3.601 55.666 52.037 0.048 0.000 0.627 95 A CB -0.794 18.130 19.000 -0.128 0.000 0.818 95 A HN 0.267 8.349 8.150 -0.114 0.000 0.445 96 K N -2.020 118.218 120.400 -0.271 0.000 2.057 96 K HA -0.390 3.726 4.320 -0.340 0.000 0.207 96 K C 2.211 178.842 176.600 0.052 0.000 1.049 96 K CA 3.319 59.426 56.287 -0.301 0.000 0.931 96 K CB -0.165 31.974 32.500 -0.602 0.000 0.714 96 K HN -0.225 7.821 8.250 -0.339 0.000 0.440 97 K N 0.296 120.697 120.400 0.003 0.000 2.097 97 K HA -0.198 4.199 4.320 0.128 0.000 0.206 97 K C 2.449 179.061 176.600 0.020 0.000 1.049 97 K CA 2.176 58.506 56.287 0.072 0.000 0.933 97 K CB -0.734 31.833 32.500 0.111 0.000 0.717 97 K HN -0.708 7.434 8.250 -0.053 0.077 0.442 98 I N -1.857 118.559 120.570 -0.256 0.000 2.179 98 I HA -0.427 3.090 4.170 -1.087 0.000 0.242 98 I C 1.650 177.685 176.117 -0.138 0.000 1.088 98 I CA 4.324 65.232 61.300 -0.654 0.000 1.357 98 I CB 0.099 37.490 38.000 -1.014 0.000 1.051 98 I HN -0.283 7.772 8.210 -0.227 0.019 0.409 99 V N -3.635 116.355 119.914 0.125 0.000 2.591 99 V HA -0.003 4.446 4.120 0.157 -0.235 0.249 99 V C 1.871 178.106 176.094 0.234 0.000 1.053 99 V CA 2.424 64.867 62.300 0.240 0.000 1.068 99 V CB 0.128 32.189 31.823 0.397 0.000 0.689 99 V HN -0.489 7.816 8.190 0.192 0.000 0.462 100 S N -0.345 115.506 115.700 0.251 0.000 2.522 100 S HA -0.174 4.392 4.470 0.161 0.000 0.227 100 S C 1.515 176.214 174.600 0.167 0.000 0.986 100 S CA 2.624 60.943 58.200 0.199 0.000 0.929 100 S CB -0.085 63.256 63.200 0.236 0.000 0.769 100 S HN -0.009 8.463 8.310 0.270 0.000 0.529 101 D N 1.144 121.663 120.400 0.199 0.000 2.325 101 D HA 0.054 4.803 4.640 0.182 0.000 0.234 101 D C 0.292 176.717 176.300 0.210 0.000 1.122 101 D CA -0.070 54.066 54.000 0.228 0.000 0.850 101 D CB -0.249 40.772 40.800 0.368 0.000 0.921 101 D HN -0.519 7.873 8.370 0.203 0.100 0.513 102 G N -1.357 107.544 108.800 0.169 0.000 2.176 102 G HA2 -0.463 3.577 3.960 0.134 0.000 0.253 102 G HA3 -0.463 3.570 3.960 0.122 0.000 0.253 102 G C -0.427 174.560 174.900 0.144 0.000 0.979 102 G CA 0.128 45.313 45.100 0.142 0.000 0.641 102 G HN -0.229 7.881 8.290 0.164 0.279 0.530 103 N N 1.877 120.671 118.700 0.157 0.000 2.530 103 N HA -0.005 4.797 4.740 0.103 0.000 0.273 103 N C -0.083 175.467 175.510 0.067 0.000 1.173 103 N CA 0.630 53.739 53.050 0.098 0.000 0.967 103 N CB 0.882 39.388 38.487 0.031 0.000 1.109 103 N HN -0.659 7.750 8.380 0.182 0.080 0.453 104 G N -0.919 107.907 108.800 0.043 0.000 2.616 104 G HA2 0.142 4.132 3.960 0.051 0.000 0.268 104 G HA3 0.142 4.177 3.960 0.125 0.000 0.268 104 G C 0.516 175.264 174.900 -0.255 0.000 1.213 104 G CA -1.178 43.928 45.100 0.008 0.000 0.926 104 G HN 0.378 8.697 8.290 0.049 0.000 0.523 105 M N 0.585 119.724 119.600 -0.769 0.000 2.623 105 M HA -0.490 3.737 4.480 -0.422 0.000 0.258 105 M C 1.975 177.971 176.300 -0.507 0.000 1.067 105 M CA 3.086 57.757 55.300 -1.049 0.000 1.068 105 M CB -0.405 30.643 32.600 -2.585 0.000 1.409 105 M HN -0.134 7.683 8.290 -0.787 0.000 0.504 106 N N 0.753 119.333 118.700 -0.199 0.000 2.182 106 N HA -0.417 4.518 4.740 0.326 0.000 0.192 106 N C 0.769 176.288 175.510 0.015 0.000 1.007 106 N CA 3.398 56.511 53.050 0.104 0.000 0.873 106 N CB -0.267 38.282 38.487 0.103 0.000 0.998 106 N HN 0.171 8.347 8.380 -0.257 0.050 0.436 107 A N -2.443 120.284 122.820 -0.155 0.000 2.070 107 A HA -0.176 3.978 4.320 -0.275 0.000 0.220 107 A C 0.144 177.475 177.584 -0.422 0.000 1.159 107 A CA 1.643 53.455 52.037 -0.375 0.000 0.656 107 A CB 0.003 18.571 19.000 -0.720 0.000 0.800 107 A HN -0.170 7.827 8.150 -0.183 0.042 0.453 108 W N -1.559 119.695 121.300 -0.076 0.000 2.308 108 W HA 0.171 4.817 4.660 -0.024 0.000 0.311 108 W C -0.093 176.469 176.519 0.072 0.000 1.088 108 W CA -0.024 57.314 57.345 -0.012 0.000 1.309 108 W CB 0.233 29.677 29.460 -0.026 0.000 1.229 108 W HN -0.319 7.814 8.180 0.166 0.147 0.427 109 V N 6.776 126.796 119.914 0.177 0.000 2.407 109 V HA -0.487 3.701 4.120 0.114 0.000 0.248 109 V C 1.397 177.569 176.094 0.130 0.000 1.055 109 V CA 3.828 66.201 62.300 0.123 0.000 1.049 109 V CB -0.364 31.490 31.823 0.051 0.000 0.662 109 V HN 0.747 9.007 8.190 0.116 0.000 0.455 110 A N -0.738 122.182 122.820 0.167 0.000 1.930 110 A HA -0.203 4.140 4.320 0.039 0.000 0.217 110 A C 1.462 179.097 177.584 0.086 0.000 1.175 110 A CA 3.082 55.183 52.037 0.108 0.000 0.627 110 A CB -0.682 18.406 19.000 0.146 0.000 0.815 110 A HN -0.345 8.185 8.150 0.208 -0.255 0.443 111 W N -0.564 120.745 121.300 0.015 0.000 2.292 111 W HA -0.441 4.160 4.660 -0.098 0.000 0.330 111 W C 1.643 178.132 176.519 -0.051 0.000 1.264 111 W CA 3.892 61.206 57.345 -0.052 0.000 1.235 111 W CB -0.239 29.182 29.460 -0.064 0.000 1.164 111 W HN -0.860 7.550 8.180 0.383 0.000 0.461 112 R N -4.435 116.130 120.500 0.109 0.000 2.083 112 R HA -0.411 3.736 4.340 -0.321 0.000 0.237 112 R C 2.102 178.248 176.300 -0.256 0.000 1.137 112 R CA 3.439 59.473 56.100 -0.110 0.000 0.951 112 R CB -0.294 30.046 30.300 0.066 0.000 0.851 112 R HN -0.625 7.856 8.270 0.351 0.000 0.434 113 N N -3.988 114.623 118.700 -0.149 0.000 2.409 113 N HA -0.078 4.569 4.740 -0.155 0.000 0.179 113 N C 0.966 176.319 175.510 -0.261 0.000 1.032 113 N CA 1.930 54.880 53.050 -0.167 0.000 0.898 113 N CB 0.280 38.705 38.487 -0.103 0.000 0.971 113 N HN -0.340 7.970 8.380 -0.073 0.027 0.441 114 R N -5.118 115.171 120.500 -0.352 0.000 2.517 114 R HA 0.359 4.426 4.340 -0.455 0.000 0.265 114 R C -0.140 175.894 176.300 -0.443 0.000 0.921 114 R CA 0.220 56.020 56.100 -0.501 0.000 1.054 114 R CB 1.069 30.829 30.300 -0.900 0.000 1.340 114 R HN -0.367 7.620 8.270 -0.338 0.080 0.551 115 c N -2.867 115.447 118.600 -0.476 0.000 2.709 115 c HA 0.355 4.797 4.570 -0.213 0.000 0.504 115 c C -0.831 172.899 174.090 -0.599 0.000 1.338 115 c CA 0.273 56.328 56.329 -0.456 0.000 2.606 115 c CB 2.599 44.800 42.510 -0.516 0.000 3.196 115 c HN 0.105 7.997 8.230 -0.562 0.000 0.538 116 K N 2.434 122.176 120.400 -1.096 0.000 2.530 116 K HA -0.259 3.517 4.320 -0.906 0.000 0.280 116 K C 0.919 177.285 176.600 -0.389 0.000 1.004 116 K CA 2.400 58.126 56.287 -0.936 0.000 1.071 116 K CB 0.179 32.015 32.500 -1.107 0.000 0.876 116 K HN -0.101 7.327 8.250 -1.370 0.000 0.487 117 G N 5.566 114.246 108.800 -0.200 0.000 2.179 117 G HA2 -0.173 3.719 3.960 -0.113 0.000 0.260 117 G HA3 -0.173 3.753 3.960 -0.057 0.000 0.260 117 G C -0.407 174.452 174.900 -0.069 0.000 0.977 117 G CA 0.379 45.417 45.100 -0.102 0.000 0.641 117 G HN 0.548 8.743 8.290 -0.159 0.000 0.533 118 T N -1.011 113.502 114.554 -0.068 0.000 2.937 118 T HA 0.189 4.526 4.350 -0.021 0.000 0.283 118 T C -1.219 173.500 174.700 0.033 0.000 1.012 118 T CA -1.816 60.274 62.100 -0.018 0.000 0.997 118 T CB 2.496 71.358 68.868 -0.009 0.000 1.136 118 T HN -0.500 7.617 8.240 -0.099 0.064 0.551 119 D N 2.080 122.506 120.400 0.044 0.000 2.600 119 D HA 0.081 4.754 4.640 0.056 0.000 0.226 119 D C 1.306 177.675 176.300 0.115 0.000 1.119 119 D CA -0.801 53.233 54.000 0.056 0.000 1.051 119 D CB -1.382 39.428 40.800 0.017 0.000 1.106 119 D HN 0.206 8.594 8.370 0.029 0.000 0.491 120 V N 1.204 121.232 119.914 0.189 0.000 2.913 120 V HA -0.274 4.195 4.120 0.581 0.000 0.260 120 V C 1.394 177.689 176.094 0.336 0.000 1.098 120 V CA 2.218 64.742 62.300 0.375 0.000 1.121 120 V CB -0.729 31.278 31.823 0.308 0.000 0.714 120 V HN -0.277 7.966 8.190 0.150 0.038 0.487 121 Q N 1.121 121.029 119.800 0.180 0.000 2.234 121 Q HA -0.374 4.066 4.340 0.167 0.000 0.206 121 Q C 1.878 177.926 176.000 0.081 0.000 0.980 121 Q CA 2.977 58.861 55.803 0.134 0.000 0.869 121 Q CB -0.689 28.099 28.738 0.084 0.000 0.912 121 Q HN -0.217 8.097 8.270 0.145 0.043 0.436 122 A N -0.259 122.553 122.820 -0.013 0.000 1.986 122 A HA -0.196 4.051 4.320 -0.122 0.000 0.220 122 A C 2.108 179.541 177.584 -0.252 0.000 1.171 122 A CA 2.601 54.530 52.037 -0.180 0.000 0.640 122 A CB -0.861 17.945 19.000 -0.322 0.000 0.811 122 A HN -0.478 7.643 8.150 0.007 0.033 0.451 123 W N -3.186 118.167 121.300 0.088 0.000 2.425 123 W HA -0.222 4.508 4.660 0.116 0.000 0.277 123 W C 1.544 178.115 176.519 0.086 0.000 1.231 123 W CA 3.146 60.556 57.345 0.107 0.000 1.248 123 W CB 0.246 29.787 29.460 0.136 0.000 1.117 123 W HN -0.413 7.694 8.180 0.112 0.140 0.568 124 I N -8.553 112.158 120.570 0.235 0.000 4.082 124 I HA 0.390 4.655 4.170 0.157 0.000 0.337 124 I C -1.056 175.111 176.117 0.083 0.000 1.352 124 I CA -1.241 60.152 61.300 0.155 0.000 1.097 124 I CB 0.932 39.023 38.000 0.151 0.000 1.048 124 I HN -0.501 7.701 8.210 0.218 0.139 0.393 125 R N 2.174 122.702 120.500 0.048 0.000 2.522 125 R HA -0.266 4.089 4.340 0.025 0.000 0.284 125 R C 1.055 177.363 176.300 0.013 0.000 1.032 125 R CA 1.864 57.974 56.100 0.017 0.000 1.049 125 R CB 0.407 30.695 30.300 -0.019 0.000 0.956 125 R HN -0.673 7.509 8.270 0.041 0.112 0.422 126 G N 5.715 114.524 108.800 0.014 0.000 2.179 126 G HA2 -0.360 3.603 3.960 0.006 0.000 0.260 126 G HA3 -0.360 3.605 3.960 0.009 0.000 0.260 126 G C -0.770 174.141 174.900 0.018 0.000 0.977 126 G CA 0.273 45.380 45.100 0.011 0.000 0.641 126 G HN 0.454 8.754 8.290 0.016 0.000 0.533 127 c N -0.406 118.210 118.600 0.027 0.000 2.466 127 c HA 0.009 4.593 4.570 0.025 0.000 0.379 127 c C 0.392 174.497 174.090 0.024 0.000 1.251 127 c CA -0.658 55.688 56.329 0.029 0.000 2.263 127 c CB 0.135 42.668 42.510 0.040 0.000 2.511 127 c HN -0.509 7.676 8.230 0.033 0.065 0.573 128 R N 3.462 123.974 120.500 0.019 0.000 2.343 128 R HA 0.122 4.471 4.340 0.015 0.000 0.326 128 R C -0.497 175.813 176.300 0.017 0.000 1.055 128 R CA 0.443 56.553 56.100 0.016 0.000 0.961 128 R CB -0.244 30.063 30.300 0.012 0.000 0.978 128 R HN 0.253 8.534 8.270 0.018 0.000 0.443 129 L N 0.000 121.234 121.223 0.018 0.000 2.949 129 L HA 0.000 4.349 4.340 0.015 0.000 0.249 129 L CA 0.000 54.851 54.840 0.018 0.000 0.813 129 L CB 0.000 42.075 42.059 0.027 0.000 0.961 129 L HN 0.000 8.241 8.230 0.018 0.000 0.502