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 2jyz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDDIVPDVLD AVPAGTIKVI YGDDLEVKQG NELTPTQVKD QPIVSWSGLE DATA SEQUENCE GKSNLLTLLM VDPDAPTRQD PKYREILHWS VVNIPGSNEN PSGGHSLADY DATA SEQUENCE VGSGPPKDTG LHRYIFLLYR QENKIEETPT ISNTTRTGRL NFNARDFAAK DATA SEQUENCE HGLGEPIAAN YYQAQYDDYV PIRNKTIVG 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 M HA 0.000 4.461 4.480 -0.032 0.000 0.227 1 M C 0.000 176.280 176.300 -0.034 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 D N 6.508 126.883 120.400 -0.042 0.000 2.389 2 D HA -0.074 4.672 4.640 -0.054 -0.138 0.263 2 D C -1.134 175.142 176.300 -0.039 0.000 1.255 2 D CA 0.879 54.850 54.000 -0.049 0.000 0.914 2 D CB 0.417 41.183 40.800 -0.056 0.000 1.116 2 D HN 0.141 8.484 8.370 -0.044 0.000 0.502 3 D N 3.213 123.591 120.400 -0.037 0.000 3.032 3 D HA -0.003 4.622 4.640 -0.024 0.000 0.280 3 D C 0.802 177.084 176.300 -0.031 0.000 1.381 3 D CA 0.653 54.637 54.000 -0.027 0.000 1.068 3 D CB 1.456 42.247 40.800 -0.016 0.000 1.148 3 D HN 0.129 8.355 8.370 -0.041 0.119 0.401 4 I N 0.487 121.037 120.570 -0.034 0.000 3.425 4 I HA 0.111 4.266 4.170 -0.026 0.000 0.298 4 I C -1.679 174.397 176.117 -0.068 0.000 1.278 4 I CA -0.560 60.718 61.300 -0.037 0.000 1.475 4 I CB -2.019 35.968 38.000 -0.021 0.000 1.283 4 I HN -0.364 7.826 8.210 -0.033 0.000 0.540 5 V N 3.324 123.199 119.914 -0.064 0.000 2.680 5 V HA 0.215 4.312 4.120 -0.100 -0.036 0.309 5 V C -2.289 173.772 176.094 -0.055 0.000 1.052 5 V CA -3.876 58.377 62.300 -0.077 0.000 0.908 5 V CB 3.038 34.812 31.823 -0.083 0.000 1.001 5 V HN -0.447 7.609 8.190 -0.051 0.103 0.431 6 P HA 0.278 4.643 4.420 -0.092 0.000 0.254 6 P C -1.004 176.258 177.300 -0.064 0.000 1.620 6 P CA -0.583 62.476 63.100 -0.069 0.000 1.050 6 P CB 0.649 32.317 31.700 -0.053 0.000 1.539 7 D N -0.139 120.230 120.400 -0.052 0.000 2.117 7 D HA -0.235 4.395 4.640 -0.017 0.000 0.197 7 D C 0.656 176.934 176.300 -0.037 0.000 0.987 7 D CA 2.432 56.414 54.000 -0.030 0.000 0.829 7 D CB 0.479 41.271 40.800 -0.013 0.000 0.961 7 D HN 0.066 8.307 8.370 -0.050 0.100 0.460 8 V N -9.454 110.398 119.914 -0.103 0.000 3.602 8 V HA 0.139 4.168 4.120 -0.151 0.000 0.186 8 V C -1.780 173.951 176.094 -0.605 0.000 1.444 8 V CA 0.539 62.713 62.300 -0.210 0.000 1.221 8 V CB 2.323 34.166 31.823 0.033 0.000 1.180 8 V HN -0.367 7.755 8.190 -0.113 0.000 0.554 9 L N -0.764 120.227 121.223 -0.387 0.000 2.545 9 L HA 0.469 4.540 4.340 -0.448 0.000 0.258 9 L C -1.580 175.182 176.870 -0.180 0.000 0.942 9 L CA -0.709 53.898 54.840 -0.388 0.000 0.855 9 L CB 3.922 45.732 42.059 -0.415 0.000 1.374 9 L HN -0.032 7.986 8.230 -0.212 0.085 0.411 10 D N 2.872 123.180 120.400 -0.153 0.000 2.644 10 D HA -0.040 4.549 4.640 -0.086 0.000 0.252 10 D C -1.342 174.918 176.300 -0.066 0.000 1.254 10 D CA -0.416 53.526 54.000 -0.098 0.000 0.884 10 D CB -1.956 38.786 40.800 -0.097 0.000 1.034 10 D HN 0.518 8.778 8.370 -0.183 0.000 0.473 11 A N -4.781 118.008 122.820 -0.052 0.000 2.586 11 A HA 0.025 4.338 4.320 -0.013 0.000 0.298 11 A C -2.232 175.360 177.584 0.013 0.000 1.013 11 A CA 0.170 52.198 52.037 -0.015 0.000 0.707 11 A CB 2.122 21.118 19.000 -0.007 0.000 1.276 11 A HN -0.294 7.671 8.150 -0.068 0.144 0.414 12 V N 1.596 121.526 119.914 0.025 0.000 2.339 12 V HA 0.169 4.321 4.120 0.053 0.000 0.261 12 V C -1.586 174.540 176.094 0.054 0.000 1.058 12 V CA -2.638 59.687 62.300 0.042 0.000 0.897 12 V CB 0.175 32.016 31.823 0.030 0.000 1.052 12 V HN 0.029 8.230 8.190 0.019 0.000 0.480 13 P HA 0.031 4.727 4.420 0.068 -0.235 0.276 13 P C -0.578 176.750 177.300 0.048 0.000 1.230 13 P CA -1.174 61.970 63.100 0.073 0.000 0.776 13 P CB 1.154 32.918 31.700 0.107 0.000 0.888 14 A N 4.352 127.189 122.820 0.029 0.000 2.015 14 A HA -0.116 4.212 4.320 0.014 0.000 0.219 14 A C -0.189 177.401 177.584 0.010 0.000 1.163 14 A CA 1.292 53.336 52.037 0.011 0.000 0.646 14 A CB 0.413 19.407 19.000 -0.010 0.000 0.806 14 A HN 0.301 8.467 8.150 0.027 0.000 0.448 15 G N -4.660 104.149 108.800 0.015 0.000 3.310 15 G HA2 0.219 4.188 3.960 0.015 0.000 0.174 15 G HA3 0.219 4.185 3.960 0.010 0.000 0.174 15 G C -2.135 172.783 174.900 0.031 0.000 1.097 15 G CA -0.185 44.925 45.100 0.017 0.000 0.795 15 G HN -0.225 7.961 8.290 0.019 0.115 0.670 16 T N -1.608 112.969 114.554 0.038 0.000 2.693 16 T HA 0.237 4.819 4.350 0.050 -0.202 0.304 16 T C -2.079 172.666 174.700 0.075 0.000 1.471 16 T CA -1.149 60.974 62.100 0.039 0.000 0.993 16 T CB 1.759 70.623 68.868 -0.006 0.000 1.554 16 T HN -0.147 8.118 8.240 0.041 0.000 0.496 17 I N -0.274 120.331 120.570 0.059 0.000 2.569 17 I HA 0.113 4.375 4.170 0.153 0.000 0.296 17 I C -1.595 174.509 176.117 -0.021 0.000 1.028 17 I CA -1.236 60.110 61.300 0.078 0.000 1.082 17 I CB 3.700 41.765 38.000 0.109 0.000 1.264 17 I HN -0.120 8.100 8.210 0.016 0.000 0.429 18 K N 6.256 126.632 120.400 -0.039 0.000 2.347 18 K HA 0.232 4.506 4.320 -0.077 0.000 0.262 18 K C -1.240 175.276 176.600 -0.141 0.000 1.052 18 K CA -0.626 55.613 56.287 -0.080 0.000 0.946 18 K CB 0.784 33.251 32.500 -0.054 0.000 1.220 18 K HN 0.675 8.811 8.250 -0.006 0.110 0.450 19 V N 6.925 126.733 119.914 -0.175 0.000 2.333 19 V HA 0.234 4.373 4.120 -0.225 -0.154 0.274 19 V C -1.135 174.927 176.094 -0.053 0.000 1.028 19 V CA -0.826 61.352 62.300 -0.204 0.000 0.851 19 V CB 1.223 32.800 31.823 -0.409 0.000 1.000 19 V HN -0.055 8.239 8.190 -0.148 -0.193 0.456 20 I N 7.471 128.012 120.570 -0.048 0.000 2.297 20 I HA 0.081 4.378 4.170 0.019 -0.115 0.291 20 I C -0.106 176.029 176.117 0.031 0.000 1.033 20 I CA -0.054 61.244 61.300 -0.003 0.000 1.253 20 I CB 0.598 38.577 38.000 -0.036 0.000 1.396 20 I HN 0.827 8.867 8.210 -0.089 0.117 0.476 21 Y N 9.547 129.796 120.300 -0.084 0.000 2.342 21 Y HA -0.012 4.628 4.550 -0.068 -0.131 0.259 21 Y C 1.643 177.512 175.900 -0.051 0.000 1.049 21 Y CA 2.735 60.788 58.100 -0.079 0.000 1.059 21 Y CB 0.415 38.802 38.460 -0.121 0.000 1.026 21 Y HN -0.154 8.240 8.280 0.190 0.000 0.473 22 G N -5.216 103.674 108.800 0.150 0.000 2.708 22 G HA2 -0.258 3.732 3.960 0.050 0.000 0.210 22 G HA3 -0.258 3.745 3.960 0.072 0.000 0.210 22 G C 0.251 175.164 174.900 0.022 0.000 1.141 22 G CA 0.341 45.480 45.100 0.066 0.000 0.788 22 G HN 0.458 8.876 8.290 0.213 0.000 0.531 23 D N -2.343 118.064 120.400 0.011 0.000 2.884 23 D HA -0.377 4.252 4.640 -0.018 0.000 0.186 23 D C -0.334 175.964 176.300 -0.003 0.000 1.520 23 D CA 2.784 56.779 54.000 -0.008 0.000 1.997 23 D CB -1.346 39.444 40.800 -0.017 0.000 1.362 23 D HN -0.129 8.139 8.370 0.025 0.117 0.474 24 D N -0.193 120.209 120.400 0.005 0.000 2.224 24 D HA -0.145 4.493 4.640 -0.003 0.000 0.205 24 D C -0.217 176.085 176.300 0.003 0.000 0.965 24 D CA 1.812 55.813 54.000 0.002 0.000 0.852 24 D CB 0.742 41.545 40.800 0.005 0.000 0.947 24 D HN 0.128 8.361 8.370 0.011 0.143 0.494 25 L N -7.596 113.634 121.223 0.011 0.000 2.216 25 L HA 0.479 4.817 4.340 -0.002 0.000 0.260 25 L C -2.731 174.146 176.870 0.011 0.000 1.036 25 L CA -2.603 52.241 54.840 0.006 0.000 0.914 25 L CB 3.304 45.365 42.059 0.003 0.000 1.501 25 L HN -0.929 7.288 8.230 0.022 0.026 0.485 26 E N -3.220 116.979 120.200 -0.002 0.000 2.407 26 E HA 0.367 4.824 4.350 0.026 -0.091 0.279 26 E C -1.762 174.824 176.600 -0.023 0.000 1.012 26 E CA -1.666 54.732 56.400 -0.003 0.000 0.800 26 E CB 3.520 33.209 29.700 -0.019 0.000 1.276 26 E HN -0.433 7.920 8.360 -0.012 0.000 0.452 27 V N -4.011 115.894 119.914 -0.015 0.000 2.607 27 V HA 0.184 4.405 4.120 -0.032 -0.120 0.289 27 V C -1.324 174.758 176.094 -0.021 0.000 1.053 27 V CA -1.578 60.720 62.300 -0.003 0.000 0.996 27 V CB 1.220 33.112 31.823 0.116 0.000 0.995 27 V HN 0.640 8.833 8.190 0.005 0.000 0.476 28 K N 3.948 124.329 120.400 -0.031 0.000 2.535 28 K HA 0.223 4.461 4.320 -0.137 0.000 0.250 28 K C -0.886 175.644 176.600 -0.117 0.000 0.948 28 K CA -1.164 55.069 56.287 -0.090 0.000 0.796 28 K CB 2.905 35.369 32.500 -0.059 0.000 1.216 28 K HN 0.067 8.565 8.250 -0.005 -0.250 0.432 29 Q N 2.147 121.756 119.800 -0.319 0.000 2.426 29 Q HA -0.391 3.266 4.340 -1.137 0.000 0.359 29 Q C 0.247 176.303 176.000 0.093 0.000 1.381 29 Q CA 0.924 56.526 55.803 -0.335 0.000 1.060 29 Q CB -2.576 26.124 28.738 -0.064 0.000 1.253 29 Q HN 0.996 9.013 8.270 -0.422 0.000 0.363 30 G N -3.966 104.968 108.800 0.224 0.000 2.187 30 G HA2 -0.458 3.774 3.960 0.361 0.000 0.261 30 G HA3 -0.458 3.744 3.960 0.404 0.000 0.261 30 G C -0.508 174.497 174.900 0.175 0.000 1.000 30 G CA 0.344 45.648 45.100 0.340 0.000 0.718 30 G HN 0.383 8.555 8.290 -0.017 0.108 0.519 31 N N -1.694 117.072 118.700 0.110 0.000 2.344 31 N HA -0.283 4.492 4.740 0.058 0.000 0.236 31 N C -1.162 174.383 175.510 0.058 0.000 1.279 31 N CA 0.242 53.330 53.050 0.062 0.000 0.882 31 N CB 1.117 39.617 38.487 0.022 0.000 1.110 31 N HN -0.066 8.176 8.380 0.080 0.186 0.436 32 E N 0.801 121.016 120.200 0.025 0.000 2.216 32 E HA 0.283 4.641 4.350 0.015 0.000 0.279 32 E C -0.540 176.037 176.600 -0.038 0.000 0.997 32 E CA -0.718 55.683 56.400 0.002 0.000 0.817 32 E CB 1.583 31.286 29.700 0.006 0.000 1.096 32 E HN 0.078 8.451 8.360 0.021 0.000 0.393 33 L N 6.966 128.138 121.223 -0.085 0.000 2.307 33 L HA 0.312 4.600 4.340 -0.087 0.000 0.284 33 L C -0.614 176.217 176.870 -0.065 0.000 1.023 33 L CA -0.593 54.179 54.840 -0.114 0.000 0.810 33 L CB 0.725 42.631 42.059 -0.255 0.000 1.231 33 L HN 0.199 8.376 8.230 -0.089 0.000 0.423 34 T N 0.669 115.201 114.554 -0.037 0.000 2.868 34 T HA 0.358 4.784 4.350 -0.006 -0.080 0.306 34 T C -2.615 172.083 174.700 -0.002 0.000 1.224 34 T CA -2.826 59.267 62.100 -0.012 0.000 1.012 34 T CB 1.995 70.860 68.868 -0.006 0.000 1.221 34 T HN -0.107 8.110 8.240 -0.038 0.000 0.499 35 P HA 0.352 4.780 4.420 0.013 0.000 0.297 35 P C -1.016 176.302 177.300 0.030 0.000 1.331 35 P CA -0.464 62.645 63.100 0.016 0.000 0.803 35 P CB 0.518 32.228 31.700 0.017 0.000 0.929 36 T N -2.141 112.435 114.554 0.036 0.000 3.866 36 T HA -0.453 3.938 4.350 0.069 0.000 0.344 36 T C 0.222 174.970 174.700 0.081 0.000 0.760 36 T CA 1.265 63.403 62.100 0.064 0.000 1.852 36 T CB -0.964 67.948 68.868 0.073 0.000 1.891 36 T HN 0.285 8.541 8.240 0.026 0.000 0.783 37 Q N -3.672 116.163 119.800 0.058 0.000 2.444 37 Q HA -0.176 4.219 4.340 0.091 0.000 0.206 37 Q C 1.050 177.133 176.000 0.139 0.000 0.948 37 Q CA 1.159 57.011 55.803 0.081 0.000 0.946 37 Q CB -0.240 28.529 28.738 0.051 0.000 1.027 37 Q HN 0.050 8.288 8.270 0.031 0.051 0.513 38 V N -6.579 113.401 119.914 0.110 0.000 3.515 38 V HA -0.127 3.993 4.120 -0.000 0.000 0.298 38 V C -1.184 175.176 176.094 0.444 0.000 1.206 38 V CA 0.292 62.690 62.300 0.165 0.000 1.253 38 V CB -1.457 30.387 31.823 0.034 0.000 1.035 38 V HN 0.162 8.309 8.190 0.078 0.091 0.428 39 K N -3.395 117.195 120.400 0.317 0.000 2.355 39 K HA 0.037 4.476 4.320 0.198 0.000 0.198 39 K C -0.020 176.640 176.600 0.100 0.000 1.039 39 K CA -0.975 55.432 56.287 0.199 0.000 1.075 39 K CB -0.191 32.393 32.500 0.141 0.000 0.870 39 K HN -0.918 7.326 8.250 0.254 0.159 0.540 40 D N 2.143 122.609 120.400 0.110 0.000 2.304 40 D HA -0.008 4.600 4.640 -0.053 0.000 0.247 40 D C -0.585 175.466 176.300 -0.414 0.000 1.089 40 D CA 0.547 54.502 54.000 -0.075 0.000 0.910 40 D CB 0.943 41.743 40.800 -0.000 0.000 1.199 40 D HN -0.680 7.812 8.370 0.278 0.045 0.426 41 Q N -1.130 118.495 119.800 -0.291 0.000 2.300 41 Q HA -0.019 4.168 4.340 -0.256 0.000 0.280 41 Q C -1.348 174.358 176.000 -0.491 0.000 1.033 41 Q CA -1.909 53.712 55.803 -0.303 0.000 0.903 41 Q CB -0.754 27.915 28.738 -0.116 0.000 1.195 41 Q HN 0.023 8.193 8.270 -0.167 0.000 0.386 42 P HA 0.138 4.460 4.420 -0.393 -0.137 0.293 42 P C -1.538 175.657 177.300 -0.175 0.000 1.300 42 P CA -1.061 61.834 63.100 -0.343 0.000 0.792 42 P CB 0.894 32.593 31.700 -0.002 0.000 0.925 43 I N 6.139 126.626 120.570 -0.138 0.000 2.306 43 I HA 0.107 4.197 4.170 -0.135 0.000 0.288 43 I C -0.727 175.305 176.117 -0.142 0.000 1.036 43 I CA -2.328 58.895 61.300 -0.128 0.000 1.221 43 I CB -0.690 37.243 38.000 -0.111 0.000 1.385 43 I HN 0.888 8.881 8.210 -0.116 0.147 0.472 44 V N 9.118 128.949 119.914 -0.138 0.000 2.583 44 V HA -0.018 4.080 4.120 -0.253 -0.129 0.287 44 V C -1.493 174.456 176.094 -0.241 0.000 1.051 44 V CA -0.394 61.795 62.300 -0.185 0.000 1.010 44 V CB 1.100 32.880 31.823 -0.072 0.000 0.988 44 V HN 0.115 8.252 8.190 -0.089 0.000 0.478 45 S N 5.548 121.092 115.700 -0.260 0.000 2.560 45 S HA 0.424 4.649 4.470 -0.718 -0.186 0.283 45 S C -0.989 173.481 174.600 -0.217 0.000 1.141 45 S CA -0.497 57.463 58.200 -0.401 0.000 0.902 45 S CB 2.311 65.330 63.200 -0.302 0.000 1.104 45 S HN -0.349 7.759 8.310 -0.192 0.087 0.454 46 W N 1.563 122.848 121.300 -0.024 0.000 3.123 46 W HA 0.409 5.051 4.660 -0.030 0.000 0.383 46 W C -0.831 175.675 176.519 -0.021 0.000 1.102 46 W CA -2.967 54.364 57.345 -0.024 0.000 1.865 46 W CB -0.257 29.192 29.460 -0.018 0.000 1.111 46 W HN 1.236 8.583 8.180 -1.198 0.114 0.621 47 S N 1.246 116.947 115.700 0.001 0.000 3.298 47 S HA -0.635 4.089 4.470 0.063 -0.217 0.389 47 S C 0.895 175.549 174.600 0.089 0.000 1.186 47 S CA 2.308 60.528 58.200 0.034 0.000 1.034 47 S CB -0.748 62.424 63.200 -0.047 0.000 0.735 47 S HN -0.242 7.865 8.310 -0.198 0.084 0.510 48 G N 7.407 116.276 108.800 0.115 0.000 2.313 48 G HA2 -0.329 3.667 3.960 0.060 0.000 0.215 48 G HA3 -0.329 3.666 3.960 0.059 0.000 0.215 48 G C -0.420 174.531 174.900 0.085 0.000 1.023 48 G CA 0.090 45.238 45.100 0.079 0.000 0.626 48 G HN 0.393 9.339 8.290 0.146 -0.568 0.503 49 L N 0.311 121.612 121.223 0.130 0.000 2.202 49 L HA 0.084 4.445 4.340 0.036 0.000 0.205 49 L C 0.151 177.036 176.870 0.024 0.000 1.083 49 L CA 0.903 55.785 54.840 0.070 0.000 0.790 49 L CB 0.301 42.404 42.059 0.074 0.000 0.942 49 L HN 0.211 8.375 8.230 0.202 0.187 0.452 50 E N -2.249 118.010 120.200 0.099 0.000 2.683 50 E HA -0.402 3.851 4.350 -0.161 0.000 0.266 50 E C -0.069 176.539 176.600 0.014 0.000 1.434 50 E CA 0.801 57.212 56.400 0.017 0.000 1.137 50 E CB 0.248 30.087 29.700 0.231 0.000 0.992 50 E HN -0.928 7.603 8.360 0.284 0.000 0.607 51 G N -0.093 108.711 108.800 0.005 0.000 3.979 51 G HA2 -0.068 3.904 3.960 0.020 0.000 0.113 51 G HA3 -0.068 3.884 3.960 -0.014 0.000 0.113 51 G C -1.719 173.177 174.900 -0.007 0.000 1.904 51 G CA 0.461 45.562 45.100 0.001 0.000 0.982 51 G HN 0.214 8.507 8.290 0.005 0.000 0.300 52 K N 1.170 121.550 120.400 -0.032 0.000 2.652 52 K HA 0.254 4.563 4.320 -0.018 0.000 0.249 52 K C -1.768 174.798 176.600 -0.056 0.000 0.986 52 K CA -0.264 56.004 56.287 -0.032 0.000 0.867 52 K CB 1.195 33.681 32.500 -0.024 0.000 1.201 52 K HN 0.014 8.234 8.250 -0.051 0.000 0.450 53 S N 1.826 117.492 115.700 -0.056 0.000 2.537 53 S HA 0.190 4.614 4.470 -0.076 0.000 0.271 53 S C 0.117 174.686 174.600 -0.052 0.000 1.148 53 S CA -0.861 57.293 58.200 -0.077 0.000 0.868 53 S CB 2.317 65.438 63.200 -0.132 0.000 1.115 53 S HN 0.082 8.370 8.310 -0.037 0.000 0.461 54 N N 3.874 122.545 118.700 -0.048 0.000 2.120 54 N HA -0.047 4.683 4.740 -0.017 0.000 0.188 54 N C -0.400 175.094 175.510 -0.027 0.000 1.024 54 N CA 2.533 55.566 53.050 -0.028 0.000 0.852 54 N CB 0.788 39.263 38.487 -0.021 0.000 1.003 54 N HN 0.391 8.737 8.380 -0.057 0.000 0.424 55 L N -6.679 114.513 121.223 -0.052 0.000 2.801 55 L HA 0.380 4.810 4.340 -0.023 -0.104 0.264 55 L C -1.749 175.060 176.870 -0.101 0.000 1.086 55 L CA -0.892 53.918 54.840 -0.050 0.000 0.920 55 L CB 4.469 46.504 42.059 -0.040 0.000 1.529 55 L HN -0.173 8.014 8.230 -0.072 0.000 0.399 56 L N -3.239 117.926 121.223 -0.096 0.000 2.409 56 L HA 0.594 5.000 4.340 -0.201 -0.187 0.255 56 L C -1.332 175.479 176.870 -0.099 0.000 1.027 56 L CA -0.988 53.752 54.840 -0.167 0.000 0.834 56 L CB 4.773 46.645 42.059 -0.310 0.000 1.426 56 L HN -0.067 8.159 8.230 -0.049 -0.025 0.411 57 T N 2.832 117.333 114.554 -0.089 0.000 2.949 57 T HA 0.294 4.598 4.350 -0.077 0.000 0.300 57 T C -2.376 172.299 174.700 -0.042 0.000 0.988 57 T CA 0.027 62.096 62.100 -0.052 0.000 0.993 57 T CB 1.978 70.844 68.868 -0.002 0.000 0.984 57 T HN 0.843 8.910 8.240 -0.126 0.097 0.442 58 L N 9.066 130.250 121.223 -0.065 0.000 2.276 58 L HA 0.761 5.326 4.340 0.027 -0.209 0.286 58 L C -2.716 174.082 176.870 -0.119 0.000 1.024 58 L CA -1.735 53.080 54.840 -0.041 0.000 0.826 58 L CB 1.364 43.410 42.059 -0.022 0.000 1.211 58 L HN 1.067 9.127 8.230 -0.104 0.107 0.422 59 L N 6.825 128.012 121.223 -0.060 0.000 2.346 59 L HA 0.394 4.680 4.340 -0.089 0.000 0.276 59 L C -1.560 175.255 176.870 -0.092 0.000 1.006 59 L CA -1.203 53.599 54.840 -0.064 0.000 0.817 59 L CB 3.017 45.067 42.059 -0.016 0.000 1.272 59 L HN 1.156 9.268 8.230 -0.010 0.112 0.421 60 M N 1.796 121.329 119.600 -0.111 0.000 2.314 60 M HA 0.818 5.194 4.480 -0.468 -0.177 0.342 60 M C -1.404 174.766 176.300 -0.216 0.000 1.171 60 M CA -1.963 53.176 55.300 -0.268 0.000 1.098 60 M CB 0.887 33.431 32.600 -0.092 0.000 1.559 60 M HN 0.247 8.512 8.290 -0.042 0.000 0.459 61 V N 0.330 120.046 119.914 -0.329 0.000 2.567 61 V HA 0.215 4.251 4.120 -0.139 0.000 0.298 61 V C -2.092 173.904 176.094 -0.164 0.000 1.047 61 V CA -0.002 62.180 62.300 -0.196 0.000 0.880 61 V CB 2.921 34.642 31.823 -0.170 0.000 1.009 61 V HN 0.819 8.559 8.190 -0.575 0.105 0.429 62 D N 3.617 123.993 120.400 -0.041 0.000 4.610 62 D HA 0.130 4.770 4.640 0.001 0.000 0.202 62 D C -2.409 173.932 176.300 0.067 0.000 1.379 62 D CA -0.526 53.503 54.000 0.048 0.000 0.941 62 D CB 1.034 41.959 40.800 0.208 0.000 1.336 62 D HN 0.427 8.774 8.370 -0.038 0.000 0.931 63 P HA 0.072 4.516 4.420 0.040 0.000 0.256 63 P C -2.045 175.255 177.300 0.000 0.000 1.688 63 P CA 0.086 63.188 63.100 0.004 0.000 1.162 63 P CB -0.751 30.918 31.700 -0.052 0.000 1.870 64 D N 3.245 123.653 120.400 0.013 0.000 2.375 64 D HA 0.186 4.814 4.640 -0.020 0.000 0.241 64 D C -2.023 174.259 176.300 -0.031 0.000 1.361 64 D CA -0.041 53.953 54.000 -0.009 0.000 0.995 64 D CB 3.125 43.928 40.800 0.005 0.000 1.312 64 D HN -0.229 8.136 8.370 0.033 0.025 0.576 65 A N 1.827 124.618 122.820 -0.049 0.000 2.565 65 A HA 0.372 4.675 4.320 -0.091 -0.037 0.298 65 A C -2.430 175.033 177.584 -0.203 0.000 1.062 65 A CA -1.220 50.766 52.037 -0.086 0.000 0.723 65 A CB 1.297 20.287 19.000 -0.016 0.000 1.282 65 A HN -0.241 7.880 8.150 -0.049 0.000 0.400 66 P HA -0.028 4.312 4.420 -0.133 0.000 0.237 66 P C -1.744 175.490 177.300 -0.111 0.000 1.178 66 P CA 0.972 63.953 63.100 -0.200 0.000 0.766 66 P CB 0.173 31.725 31.700 -0.246 0.000 0.876 67 T N -5.418 109.073 114.554 -0.107 0.000 2.977 67 T HA 0.206 4.529 4.350 -0.045 0.000 0.345 67 T C -0.096 174.571 174.700 -0.055 0.000 1.562 67 T CA -1.704 60.358 62.100 -0.063 0.000 1.090 67 T CB 1.418 70.255 68.868 -0.052 0.000 1.383 67 T HN -0.933 7.132 8.240 -0.137 0.093 0.484 68 R N 5.395 125.875 120.500 -0.033 0.000 2.241 68 R HA -0.140 4.229 4.340 -0.033 -0.048 0.224 68 R C 0.563 176.844 176.300 -0.032 0.000 1.101 68 R CA 1.549 57.631 56.100 -0.029 0.000 0.995 68 R CB -1.355 28.934 30.300 -0.018 0.000 0.870 68 R HN 0.667 8.923 8.270 -0.023 0.000 0.463 69 Q N -2.680 117.101 119.800 -0.033 0.000 2.376 69 Q HA 0.093 4.417 4.340 -0.027 0.000 0.206 69 Q C 0.040 176.018 176.000 -0.038 0.000 0.921 69 Q CA 1.052 56.836 55.803 -0.031 0.000 0.911 69 Q CB 0.980 29.704 28.738 -0.024 0.000 1.032 69 Q HN -0.230 7.956 8.270 -0.034 0.063 0.510 70 D N -0.743 119.625 120.400 -0.054 0.000 2.621 70 D HA 0.393 5.001 4.640 -0.054 0.000 0.274 70 D C -2.302 173.936 176.300 -0.104 0.000 1.215 70 D CA -2.334 51.626 54.000 -0.067 0.000 0.810 70 D CB 1.539 42.300 40.800 -0.065 0.000 1.248 70 D HN -0.601 7.609 8.370 -0.059 0.125 0.517 71 P HA 0.069 4.541 4.420 -0.131 -0.130 0.235 71 P C 0.265 177.487 177.300 -0.130 0.000 1.720 71 P CA -0.125 62.912 63.100 -0.105 0.000 1.003 71 P CB -1.318 30.349 31.700 -0.055 0.000 1.968 72 K N 1.522 121.780 120.400 -0.237 0.000 2.127 72 K HA -0.256 4.006 4.320 -0.096 0.000 0.208 72 K C 0.031 176.565 176.600 -0.109 0.000 1.047 72 K CA 2.454 58.600 56.287 -0.235 0.000 0.927 72 K CB 0.552 32.807 32.500 -0.408 0.000 0.716 72 K HN 0.585 8.602 8.250 -0.272 0.070 0.450 73 Y N -8.992 111.318 120.300 0.016 0.000 3.190 73 Y HA 0.158 4.723 4.550 0.026 0.000 0.221 73 Y C -1.880 174.041 175.900 0.036 0.000 0.825 73 Y CA -3.055 55.060 58.100 0.025 0.000 1.133 73 Y CB -1.018 37.455 38.460 0.022 0.000 1.233 73 Y HN -0.815 7.149 8.280 -0.495 0.020 0.640 74 R N 2.150 122.702 120.500 0.087 0.000 2.441 74 R HA -0.057 4.367 4.340 0.140 0.000 0.284 74 R C -0.885 175.492 176.300 0.129 0.000 1.070 74 R CA -0.686 55.472 56.100 0.096 0.000 1.047 74 R CB 1.305 31.615 30.300 0.016 0.000 1.016 74 R HN -0.602 7.676 8.270 0.014 0.000 0.477 75 E N 2.853 123.161 120.200 0.181 0.000 2.314 75 E HA 0.004 4.454 4.350 0.166 0.000 0.262 75 E C -0.334 176.431 176.600 0.275 0.000 1.093 75 E CA -0.856 55.689 56.400 0.243 0.000 0.908 75 E CB 1.466 31.372 29.700 0.342 0.000 1.091 75 E HN 0.153 8.708 8.360 0.185 -0.084 0.425 76 I N -1.058 119.629 120.570 0.195 0.000 6.378 76 I HA -0.066 4.176 4.170 0.120 0.000 0.156 76 I C -0.081 175.922 176.117 -0.190 0.000 1.051 76 I CA -0.275 61.071 61.300 0.077 0.000 1.450 76 I CB 0.625 38.666 38.000 0.069 0.000 1.398 76 I HN 0.222 8.545 8.210 0.188 0.000 0.602 77 L N -2.353 118.731 121.223 -0.232 0.000 2.399 77 L HA -0.000 3.948 4.340 -0.653 0.000 0.266 77 L C -1.025 175.630 176.870 -0.357 0.000 1.114 77 L CA 0.204 54.797 54.840 -0.410 0.000 0.804 77 L CB 0.370 42.321 42.059 -0.181 0.000 1.146 77 L HN 0.256 8.421 8.230 -0.108 0.000 0.451 78 H N -4.085 115.110 119.070 0.209 0.000 3.008 78 H HA 0.257 4.973 4.556 0.267 0.000 0.354 78 H C -1.490 174.110 175.328 0.454 0.000 1.252 78 H CA -1.478 54.752 56.048 0.305 0.000 1.117 78 H CB 1.994 31.939 29.762 0.306 0.000 1.857 78 H HN -0.289 7.763 8.280 -0.380 0.000 0.547 79 W N 3.840 125.397 121.300 0.428 0.000 2.060 79 W HA 0.345 5.354 4.660 0.312 -0.162 0.347 79 W C -1.230 175.464 176.519 0.291 0.000 0.831 79 W CA -1.767 55.797 57.345 0.365 0.000 1.590 79 W CB 0.404 30.117 29.460 0.422 0.000 1.737 79 W HN -0.152 8.524 8.180 0.827 0.000 0.329 80 S N 4.551 120.377 115.700 0.210 0.000 2.499 80 S HA 0.166 4.536 4.470 -0.166 0.000 0.279 80 S C -1.222 173.120 174.600 -0.431 0.000 1.219 80 S CA -0.666 57.468 58.200 -0.110 0.000 1.062 80 S CB 1.165 64.418 63.200 0.088 0.000 0.978 80 S HN -0.451 8.140 8.310 0.469 0.000 0.489 81 V N 1.241 120.844 119.914 -0.518 0.000 2.808 81 V HA 0.777 4.877 4.120 -0.394 -0.217 0.308 81 V C -1.523 174.404 176.094 -0.279 0.000 1.099 81 V CA -0.876 61.143 62.300 -0.469 0.000 0.920 81 V CB 3.479 34.910 31.823 -0.654 0.000 1.014 81 V HN 0.850 8.784 8.190 -0.426 0.000 0.425 82 V N -2.475 117.333 119.914 -0.177 0.000 3.181 82 V HA 0.714 4.765 4.120 -0.115 0.000 0.308 82 V C -1.259 174.827 176.094 -0.014 0.000 1.214 82 V CA -2.585 59.648 62.300 -0.112 0.000 1.053 82 V CB 3.927 35.656 31.823 -0.157 0.000 1.069 82 V HN 0.831 8.934 8.190 -0.144 0.000 0.441 83 N N -4.564 114.124 118.700 -0.020 0.000 2.747 83 N HA -0.420 4.526 4.740 -0.017 -0.217 0.249 83 N C -1.202 174.331 175.510 0.038 0.000 1.107 83 N CA 1.683 54.738 53.050 0.008 0.000 0.707 83 N CB -1.850 36.659 38.487 0.036 0.000 1.054 83 N HN 0.007 8.354 8.380 -0.055 0.000 0.555 84 I N -0.991 119.604 120.570 0.041 0.000 2.396 84 I HA 0.134 4.457 4.170 0.116 -0.084 0.289 84 I C -2.101 174.071 176.117 0.092 0.000 1.056 84 I CA -3.797 57.567 61.300 0.107 0.000 1.365 84 I CB -1.208 36.920 38.000 0.214 0.000 1.407 84 I HN -0.003 8.093 8.210 0.010 0.120 0.509 85 P HA -0.093 4.354 4.420 0.045 0.000 0.261 85 P C 0.761 178.123 177.300 0.103 0.000 1.183 85 P CA 0.008 63.157 63.100 0.080 0.000 0.761 85 P CB 0.284 32.033 31.700 0.083 0.000 0.785 86 G N 3.514 112.336 108.800 0.036 0.000 3.180 86 G HA2 -0.157 3.781 3.960 -0.038 0.000 0.246 86 G HA3 -0.157 3.896 3.960 -0.047 -0.120 0.246 86 G C -1.147 173.798 174.900 0.074 0.000 0.939 86 G CA 0.609 45.712 45.100 0.005 0.000 1.920 86 G HN 0.354 8.650 8.290 0.011 0.000 0.612 87 S N -1.902 113.899 115.700 0.168 0.000 2.906 87 S HA 0.069 4.655 4.470 0.194 0.000 0.195 87 S C -1.113 173.588 174.600 0.168 0.000 0.778 87 S CA 0.708 59.007 58.200 0.164 0.000 0.980 87 S CB -0.216 63.036 63.200 0.087 0.000 1.469 87 S HN 0.093 8.426 8.310 0.210 0.102 0.550 88 N N 1.055 119.900 118.700 0.241 0.000 2.184 88 N HA 0.104 4.884 4.740 0.066 0.000 0.206 88 N C 0.287 175.773 175.510 -0.039 0.000 1.151 88 N CA -0.067 53.050 53.050 0.111 0.000 0.878 88 N CB 0.937 39.492 38.487 0.113 0.000 1.014 88 N HN -0.431 8.187 8.380 0.398 0.000 0.512 89 E N -5.701 114.493 120.200 -0.009 0.000 4.976 89 E HA -0.518 3.490 4.350 -0.571 0.000 0.222 89 E C -1.964 173.603 176.600 -1.722 0.000 0.944 89 E CA 3.074 59.092 56.400 -0.635 0.000 1.778 89 E CB -0.745 28.756 29.700 -0.331 0.000 1.790 89 E HN 0.709 9.253 8.360 0.401 0.057 0.404 90 N N -3.415 114.643 118.700 -1.069 0.000 2.321 90 N HA 0.376 4.130 4.740 -1.643 0.000 0.290 90 N C -2.583 172.659 175.510 -0.446 0.000 1.212 90 N CA -2.638 49.803 53.050 -1.015 0.000 0.767 90 N CB 0.677 38.887 38.487 -0.462 0.000 1.494 90 N HN -0.206 7.709 8.380 -0.515 0.155 0.479 91 P HA 0.061 4.679 4.420 0.330 0.000 0.232 91 P C -1.283 176.117 177.300 0.167 0.000 1.738 91 P CA 0.201 63.403 63.100 0.169 0.000 0.948 91 P CB -1.766 30.012 31.700 0.130 0.000 1.943 92 S N 1.103 116.880 115.700 0.128 0.000 2.517 92 S HA 0.047 4.654 4.470 0.229 0.000 0.228 92 S C 1.002 175.685 174.600 0.138 0.000 1.060 92 S CA 1.291 59.580 58.200 0.149 0.000 0.937 92 S CB 1.353 64.602 63.200 0.081 0.000 0.840 92 S HN -0.035 8.253 8.310 0.083 0.072 0.546 93 G N 0.009 108.876 108.800 0.113 0.000 2.708 93 G HA2 -0.096 3.921 3.960 0.095 0.000 0.210 93 G HA3 -0.096 3.920 3.960 0.093 0.000 0.210 93 G C -0.547 174.420 174.900 0.112 0.000 1.141 93 G CA 0.471 45.633 45.100 0.103 0.000 0.788 93 G HN -0.022 8.331 8.290 0.105 0.000 0.531 94 G N -0.848 108.027 108.800 0.125 0.000 2.552 94 G HA2 0.063 4.194 3.960 0.110 0.000 0.318 94 G HA3 0.063 4.187 3.960 0.100 -0.104 0.318 94 G C -1.874 173.112 174.900 0.144 0.000 1.240 94 G CA -1.524 43.647 45.100 0.117 0.000 1.002 94 G HN -0.967 7.314 8.290 0.135 0.091 0.493 95 H N -0.400 118.683 119.070 0.022 0.000 2.899 95 H HA -0.065 4.522 4.556 0.052 0.000 0.303 95 H C -0.050 175.286 175.328 0.014 0.000 1.042 95 H CA -0.027 56.036 56.048 0.024 0.000 1.479 95 H CB 0.683 30.445 29.762 -0.001 0.000 1.493 95 H HN 0.057 8.449 8.280 0.186 0.000 0.534 96 S N 8.877 124.426 115.700 -0.251 0.000 2.494 96 S HA 0.071 4.462 4.470 -0.131 0.000 0.312 96 S C 0.261 174.678 174.600 -0.305 0.000 1.121 96 S CA 0.035 58.161 58.200 -0.123 0.000 1.068 96 S CB -0.386 62.953 63.200 0.232 0.000 1.141 96 S HN 0.525 8.724 8.310 -0.185 0.000 0.527 97 L N 4.694 125.757 121.223 -0.267 0.000 1.997 97 L HA -0.301 3.914 4.340 -0.208 0.000 0.216 97 L C 0.044 176.930 176.870 0.027 0.000 1.074 97 L CA 3.363 58.105 54.840 -0.163 0.000 0.763 97 L CB 0.425 42.352 42.059 -0.220 0.000 0.890 97 L HN -0.093 7.973 8.230 -0.274 0.000 0.434 98 A N -6.853 116.066 122.820 0.165 0.000 2.499 98 A HA 0.206 4.756 4.320 0.183 -0.120 0.280 98 A C -2.156 175.687 177.584 0.433 0.000 1.135 98 A CA -1.866 50.334 52.037 0.272 0.000 0.744 98 A CB 2.053 21.270 19.000 0.362 0.000 1.213 98 A HN -0.594 7.651 8.150 0.153 -0.003 0.434 99 D N 5.848 126.430 120.400 0.304 0.000 2.601 99 D HA -0.252 4.644 4.640 0.427 0.000 0.229 99 D C -0.752 175.633 176.300 0.142 0.000 1.140 99 D CA 0.906 55.058 54.000 0.253 0.000 0.862 99 D CB 1.568 42.406 40.800 0.063 0.000 1.192 99 D HN 0.254 8.627 8.370 0.186 0.109 0.480 100 Y N 5.457 125.442 120.300 -0.524 0.000 2.610 100 Y HA -0.194 4.115 4.550 -0.402 0.000 0.332 100 Y C -1.426 174.273 175.900 -0.335 0.000 1.201 100 Y CA 1.510 59.170 58.100 -0.733 0.000 1.465 100 Y CB 0.547 38.084 38.460 -1.538 0.000 1.283 100 Y HN 0.113 8.005 8.280 -0.646 0.000 0.563 101 V N 8.089 127.613 119.914 -0.650 0.000 2.577 101 V HA 0.087 3.698 4.120 -0.847 0.000 0.294 101 V C -0.672 175.078 176.094 -0.573 0.000 1.052 101 V CA -0.998 60.900 62.300 -0.670 0.000 0.891 101 V CB 2.898 34.543 31.823 -0.297 0.000 1.017 101 V HN -0.057 8.045 8.190 -0.147 0.000 0.436 102 G N 5.293 113.673 108.800 -0.700 0.000 3.155 102 G HA2 -0.002 3.905 3.960 -0.087 0.000 0.213 102 G HA3 -0.002 3.787 3.960 -0.285 0.000 0.213 102 G C 0.389 175.142 174.900 -0.245 0.000 1.196 102 G CA 0.882 45.797 45.100 -0.307 0.000 0.846 102 G HN 0.493 8.245 8.290 -0.898 0.000 0.516 103 S N 0.978 116.533 115.700 -0.242 0.000 2.335 103 S HA -0.155 4.295 4.470 -0.259 -0.135 0.216 103 S C 1.091 175.614 174.600 -0.129 0.000 1.032 103 S CA 0.646 58.723 58.200 -0.206 0.000 1.000 103 S CB 0.588 63.687 63.200 -0.169 0.000 0.928 103 S HN -0.464 7.551 8.310 -0.269 0.134 0.434 104 G N 0.765 109.532 108.800 -0.054 0.000 2.787 104 G HA2 -0.309 3.636 3.960 -0.026 0.000 0.685 104 G HA3 -0.309 3.767 3.960 0.194 0.000 0.685 104 G C -2.704 172.209 174.900 0.021 0.000 1.437 104 G CA -1.087 44.030 45.100 0.029 0.000 0.872 104 G HN -0.443 7.797 8.290 -0.084 0.000 0.566 105 P HA 0.178 4.609 4.420 0.018 0.000 0.271 105 P C -2.325 175.014 177.300 0.065 0.000 1.233 105 P CA -1.381 61.706 63.100 -0.022 0.000 0.789 105 P CB -0.411 31.213 31.700 -0.128 0.000 0.951 106 P HA -0.029 4.455 4.420 0.107 0.000 0.271 106 P C 0.950 178.305 177.300 0.091 0.000 1.233 106 P CA -0.656 62.497 63.100 0.088 0.000 0.789 106 P CB 0.880 32.624 31.700 0.072 0.000 0.951 107 K N 1.158 121.625 120.400 0.111 0.000 2.144 107 K HA -0.514 3.882 4.320 0.127 0.000 0.209 107 K C 1.614 178.246 176.600 0.052 0.000 1.047 107 K CA 3.886 60.233 56.287 0.100 0.000 0.927 107 K CB -0.251 32.308 32.500 0.098 0.000 0.716 107 K HN -0.334 8.226 8.250 0.115 -0.240 0.454 108 D N -3.044 117.377 120.400 0.035 0.000 2.271 108 D HA -0.279 4.370 4.640 0.013 0.000 0.207 108 D C 1.484 177.782 176.300 -0.002 0.000 0.983 108 D CA 2.682 56.688 54.000 0.010 0.000 0.878 108 D CB -0.922 39.874 40.800 -0.006 0.000 0.920 108 D HN 0.155 8.532 8.370 0.043 0.019 0.479 109 T N -1.708 112.845 114.554 -0.001 0.000 3.014 109 T HA -0.192 4.181 4.350 -0.019 -0.034 0.263 109 T C 0.335 175.042 174.700 0.012 0.000 1.078 109 T CA 2.026 64.120 62.100 -0.010 0.000 1.135 109 T CB 0.720 69.565 68.868 -0.038 0.000 0.895 109 T HN -0.207 7.869 8.240 0.011 0.171 0.480 110 G N -0.354 108.452 108.800 0.011 0.000 2.633 110 G HA2 -0.360 3.594 3.960 -0.009 0.000 0.263 110 G HA3 -0.360 3.603 3.960 0.006 0.000 0.263 110 G C -0.692 174.213 174.900 0.008 0.000 1.310 110 G CA -0.591 44.510 45.100 0.002 0.000 0.914 110 G HN -0.563 7.623 8.290 0.014 0.113 0.569 111 L N 2.086 123.301 121.223 -0.013 0.000 2.780 111 L HA -0.278 4.064 4.340 -0.089 -0.056 0.275 111 L C -0.942 175.947 176.870 0.032 0.000 1.153 111 L CA 0.741 55.564 54.840 -0.028 0.000 0.993 111 L CB -0.129 41.917 42.059 -0.021 0.000 1.319 111 L HN 0.085 8.306 8.230 -0.014 0.000 0.479 112 H N 4.239 123.280 119.070 -0.047 0.000 2.492 112 H HA 0.391 4.938 4.556 -0.014 0.000 0.345 112 H C -0.798 174.535 175.328 0.008 0.000 1.136 112 H CA -2.400 53.639 56.048 -0.014 0.000 1.202 112 H CB 2.644 32.401 29.762 -0.008 0.000 1.524 112 H HN 0.990 9.067 8.280 -0.161 0.106 0.506 113 R N 2.887 123.410 120.500 0.038 0.000 2.565 113 R HA 0.284 4.739 4.340 -0.101 -0.176 0.286 113 R C -1.564 174.704 176.300 -0.054 0.000 1.256 113 R CA -2.127 53.946 56.100 -0.045 0.000 1.238 113 R CB -1.772 28.517 30.300 -0.019 0.000 1.153 113 R HN 0.005 8.404 8.270 0.098 -0.070 0.553 114 Y N 6.926 126.970 120.300 -0.428 0.000 2.496 114 Y HA -0.125 4.308 4.550 -0.194 0.000 0.334 114 Y C -2.040 173.623 175.900 -0.395 0.000 1.080 114 Y CA 0.120 57.954 58.100 -0.443 0.000 1.355 114 Y CB 0.575 38.673 38.460 -0.603 0.000 1.193 114 Y HN -0.177 7.817 8.280 -0.477 0.000 0.523 115 I N 6.897 127.096 120.570 -0.619 0.000 2.404 115 I HA 0.143 4.445 4.170 0.061 -0.095 0.293 115 I C -1.354 174.450 176.117 -0.522 0.000 0.992 115 I CA -1.020 60.100 61.300 -0.299 0.000 1.149 115 I CB 2.198 40.105 38.000 -0.155 0.000 1.315 115 I HN 0.612 8.343 8.210 -0.634 0.099 0.446 116 F N 5.730 125.609 119.950 -0.119 0.000 2.415 116 F HA 0.357 4.780 4.527 -0.172 0.000 0.348 116 F C -1.546 174.269 175.800 0.025 0.000 1.119 116 F CA -1.406 56.552 58.000 -0.070 0.000 1.069 116 F CB 1.300 40.327 39.000 0.044 0.000 1.124 116 F HN 1.195 9.691 8.300 0.515 0.113 0.472 117 L N 3.648 124.955 121.223 0.139 0.000 2.346 117 L HA 0.668 5.100 4.340 0.154 0.000 0.276 117 L C -2.475 174.460 176.870 0.108 0.000 1.006 117 L CA -1.581 53.328 54.840 0.115 0.000 0.817 117 L CB 3.987 46.073 42.059 0.045 0.000 1.272 117 L HN 1.040 9.205 8.230 0.058 0.099 0.421 118 L N 6.078 127.361 121.223 0.101 0.000 2.346 118 L HA 0.919 5.467 4.340 0.026 -0.192 0.276 118 L C -2.575 174.318 176.870 0.038 0.000 1.006 118 L CA -1.912 52.947 54.840 0.031 0.000 0.817 118 L CB 3.722 45.767 42.059 -0.023 0.000 1.272 118 L HN 0.951 9.153 8.230 0.109 0.093 0.421 119 Y N 6.041 126.244 120.300 -0.161 0.000 2.470 119 Y HA 0.331 4.803 4.550 -0.131 0.000 0.341 119 Y C -2.114 173.668 175.900 -0.197 0.000 1.021 119 Y CA -1.349 56.662 58.100 -0.148 0.000 1.025 119 Y CB 4.235 42.636 38.460 -0.097 0.000 1.266 119 Y HN 1.003 9.178 8.280 -0.006 0.102 0.448 120 R N 6.380 126.475 120.500 -0.676 0.000 2.522 120 R HA -0.159 3.961 4.340 -0.367 0.000 0.284 120 R C -1.119 174.978 176.300 -0.339 0.000 1.032 120 R CA 1.345 57.150 56.100 -0.491 0.000 1.049 120 R CB 0.283 30.298 30.300 -0.475 0.000 0.956 120 R HN 0.404 8.125 8.270 -0.915 0.000 0.422 121 Q N 4.404 124.102 119.800 -0.170 0.000 2.307 121 Q HA 0.210 4.504 4.340 -0.076 0.000 0.262 121 Q C -1.222 174.719 176.000 -0.099 0.000 0.961 121 Q CA -1.017 54.719 55.803 -0.112 0.000 0.882 121 Q CB 2.791 31.460 28.738 -0.115 0.000 1.264 121 Q HN 0.461 8.563 8.270 -0.184 0.057 0.446 122 E N 5.734 125.897 120.200 -0.062 0.000 2.201 122 E HA -0.127 4.205 4.350 -0.030 0.000 0.193 122 E C -1.376 175.239 176.600 0.025 0.000 0.957 122 E CA 0.749 57.144 56.400 -0.008 0.000 0.858 122 E CB 1.009 30.730 29.700 0.035 0.000 0.816 122 E HN 0.445 8.765 8.360 -0.066 0.000 0.475 123 N N -0.744 117.995 118.700 0.065 0.000 2.430 123 N HA 0.038 4.824 4.740 0.077 0.000 0.292 123 N C -1.520 174.030 175.510 0.067 0.000 1.051 123 N CA -0.728 52.391 53.050 0.114 0.000 0.917 123 N CB 1.361 40.005 38.487 0.261 0.000 1.164 123 N HN -0.424 7.982 8.380 0.043 0.000 0.484 124 K N 3.568 123.996 120.400 0.047 0.000 2.363 124 K HA -0.098 4.226 4.320 0.007 0.000 0.289 124 K C -0.615 176.007 176.600 0.036 0.000 1.063 124 K CA -0.215 56.086 56.287 0.023 0.000 0.967 124 K CB -0.376 32.131 32.500 0.012 0.000 0.987 124 K HN 0.140 8.417 8.250 0.046 0.000 0.473 125 I N 1.338 121.924 120.570 0.027 0.000 2.433 125 I HA 0.241 4.442 4.170 0.051 0.000 0.292 125 I C -0.972 175.132 176.117 -0.022 0.000 1.001 125 I CA -1.429 59.895 61.300 0.040 0.000 1.119 125 I CB 2.342 40.401 38.000 0.099 0.000 1.289 125 I HN -0.213 8.001 8.210 0.008 0.000 0.438 126 E N 5.960 126.138 120.200 -0.036 0.000 2.038 126 E HA -0.268 3.967 4.350 -0.192 0.000 0.195 126 E C -0.016 176.509 176.600 -0.126 0.000 1.000 126 E CA 2.123 58.454 56.400 -0.115 0.000 0.803 126 E CB 0.399 30.061 29.700 -0.062 0.000 0.750 126 E HN 0.403 8.760 8.360 -0.004 0.000 0.448 127 E N -3.128 117.084 120.200 0.020 0.000 2.513 127 E HA -0.255 4.178 4.350 0.139 0.000 0.257 127 E C -1.311 175.395 176.600 0.177 0.000 1.098 127 E CA 0.438 56.911 56.400 0.122 0.000 0.752 127 E CB -2.305 27.491 29.700 0.159 0.000 1.324 127 E HN 0.432 8.812 8.360 0.033 0.000 0.403 128 T N -7.730 106.886 114.554 0.104 0.000 0.541 128 T HA -0.401 4.100 4.350 0.069 -0.110 0.774 128 T C -2.331 172.508 174.700 0.233 0.000 0.992 128 T CA 0.337 62.510 62.100 0.120 0.000 4.077 128 T CB -0.798 68.134 68.868 0.107 0.000 2.303 128 T HN -0.586 7.812 8.240 0.054 -0.126 0.398 129 P HA -0.122 4.426 4.420 0.213 0.000 0.266 129 P C -0.757 176.709 177.300 0.276 0.000 1.180 129 P CA -0.002 63.224 63.100 0.210 0.000 0.765 129 P CB 0.333 32.100 31.700 0.112 0.000 0.806 130 T N 1.194 115.932 114.554 0.307 0.000 2.792 130 T HA -0.253 4.068 4.350 -0.275 -0.136 0.286 130 T C -0.004 174.724 174.700 0.046 0.000 0.970 130 T CA 1.121 63.234 62.100 0.022 0.000 1.187 130 T CB 0.089 68.975 68.868 0.030 0.000 0.915 130 T HN -0.090 8.397 8.240 0.413 0.000 0.529 131 I N 7.641 128.230 120.570 0.032 0.000 2.441 131 I HA 0.016 4.218 4.170 0.055 0.000 0.287 131 I C -0.006 176.144 176.117 0.055 0.000 1.049 131 I CA -1.452 59.883 61.300 0.058 0.000 1.381 131 I CB -0.036 38.014 38.000 0.082 0.000 1.409 131 I HN -0.294 7.913 8.210 -0.005 0.000 0.523 132 S N 7.166 122.887 115.700 0.035 0.000 2.576 132 S HA -0.071 4.411 4.470 0.020 0.000 0.276 132 S C 1.129 175.730 174.600 0.002 0.000 1.339 132 S CA -0.518 57.691 58.200 0.016 0.000 1.039 132 S CB 1.136 64.336 63.200 -0.000 0.000 0.902 132 S HN 0.436 8.765 8.310 0.032 0.000 0.516 133 N N 6.498 125.182 118.700 -0.026 0.000 2.120 133 N HA -0.290 4.429 4.740 -0.035 0.000 0.188 133 N C 0.841 176.303 175.510 -0.079 0.000 1.024 133 N CA 2.336 55.347 53.050 -0.066 0.000 0.852 133 N CB -0.665 37.735 38.487 -0.144 0.000 1.003 133 N HN 0.361 8.856 8.380 -0.033 -0.135 0.424 134 T N 1.016 115.526 114.554 -0.074 0.000 3.439 134 T HA -0.066 4.232 4.350 -0.086 0.000 0.251 134 T C -0.564 174.105 174.700 -0.052 0.000 1.108 134 T CA 0.112 62.170 62.100 -0.071 0.000 0.982 134 T CB -0.098 68.731 68.868 -0.065 0.000 1.024 134 T HN -0.642 7.557 8.240 -0.067 0.000 0.573 135 T N 3.194 117.723 114.554 -0.043 0.000 2.793 135 T HA -0.195 4.141 4.350 -0.023 0.000 0.289 135 T C -0.561 174.114 174.700 -0.042 0.000 0.956 135 T CA 1.059 63.141 62.100 -0.030 0.000 1.177 135 T CB 0.310 69.170 68.868 -0.013 0.000 0.897 135 T HN -0.611 7.458 8.240 -0.043 0.145 0.533 136 R N 7.660 128.137 120.500 -0.038 0.000 2.801 136 R HA -0.145 4.162 4.340 -0.056 0.000 0.273 136 R C 0.074 176.344 176.300 -0.050 0.000 1.080 136 R CA -0.040 56.032 56.100 -0.047 0.000 1.197 136 R CB 0.776 31.053 30.300 -0.038 0.000 1.109 136 R HN 0.031 8.312 8.270 -0.030 -0.029 0.535 137 T N 2.808 117.322 114.554 -0.067 0.000 2.898 137 T HA -0.203 4.092 4.350 -0.092 0.000 0.331 137 T C 0.792 175.464 174.700 -0.046 0.000 1.085 137 T CA 2.852 64.906 62.100 -0.077 0.000 1.129 137 T CB 0.015 68.825 68.868 -0.098 0.000 1.054 137 T HN 0.293 8.490 8.240 -0.071 0.000 0.540 138 G N 3.041 111.820 108.800 -0.036 0.000 2.229 138 G HA2 -0.117 3.835 3.960 -0.013 0.000 0.189 138 G HA3 -0.117 3.833 3.960 -0.016 0.000 0.189 138 G C -0.954 173.948 174.900 0.002 0.000 1.000 138 G CA 0.155 45.246 45.100 -0.015 0.000 0.663 138 G HN 0.406 8.668 8.290 -0.046 0.000 0.493 139 R N -2.204 118.302 120.500 0.010 0.000 2.533 139 R HA 0.208 4.573 4.340 0.043 0.000 0.268 139 R C -1.139 175.207 176.300 0.076 0.000 1.303 139 R CA -0.338 55.786 56.100 0.040 0.000 1.429 139 R CB 0.211 30.530 30.300 0.031 0.000 1.361 139 R HN -0.471 7.796 8.270 -0.005 0.000 0.745 140 L N -1.618 119.657 121.223 0.087 0.000 2.541 140 L HA 0.201 4.628 4.340 0.049 -0.057 0.187 140 L C -0.399 176.640 176.870 0.281 0.000 1.098 140 L CA 0.154 55.060 54.840 0.109 0.000 0.846 140 L CB 1.010 43.088 42.059 0.032 0.000 1.151 140 L HN -0.213 8.060 8.230 0.072 0.000 0.492 141 N N 1.211 120.045 118.700 0.223 0.000 2.434 141 N HA -0.187 4.930 4.740 0.252 -0.226 0.268 141 N C -1.257 174.444 175.510 0.317 0.000 1.256 141 N CA 1.133 54.328 53.050 0.242 0.000 0.914 141 N CB 0.125 38.717 38.487 0.175 0.000 1.088 141 N HN -0.336 8.136 8.380 0.153 0.000 0.478 142 F N 2.356 122.353 119.950 0.078 0.000 2.654 142 F HA -0.014 4.487 4.527 -0.044 0.000 0.315 142 F C -2.957 172.778 175.800 -0.110 0.000 1.042 142 F CA -0.586 57.398 58.000 -0.028 0.000 1.048 142 F CB 3.761 42.741 39.000 -0.034 0.000 1.287 142 F HN -0.366 8.154 8.300 0.230 -0.082 0.501 143 N N 2.895 121.020 118.700 -0.958 0.000 2.430 143 N HA 0.187 4.770 4.740 -0.514 -0.151 0.265 143 N C 0.532 175.322 175.510 -1.200 0.000 1.100 143 N CA -0.631 51.923 53.050 -0.827 0.000 0.961 143 N CB 0.749 38.930 38.487 -0.509 0.000 1.075 143 N HN -0.014 7.887 8.380 -0.799 0.000 0.478 144 A N 4.459 126.871 122.820 -0.680 0.000 1.902 144 A HA -0.348 3.718 4.320 -0.423 0.000 0.217 144 A C 1.294 178.694 177.584 -0.306 0.000 1.181 144 A CA 3.330 55.118 52.037 -0.415 0.000 0.623 144 A CB -0.225 18.669 19.000 -0.177 0.000 0.818 144 A HN 0.384 8.483 8.150 -0.484 -0.240 0.443 145 R N -2.497 117.833 120.500 -0.282 0.000 2.185 145 R HA -0.417 3.848 4.340 -0.125 0.000 0.247 145 R C 1.072 177.258 176.300 -0.190 0.000 1.159 145 R CA 3.086 59.072 56.100 -0.190 0.000 0.988 145 R CB -0.557 29.637 30.300 -0.176 0.000 0.871 145 R HN 0.239 8.331 8.270 -0.297 0.000 0.458 146 D N -0.806 119.390 120.400 -0.340 0.000 2.123 146 D HA -0.277 4.267 4.640 -0.160 0.000 0.196 146 D C 1.997 178.246 176.300 -0.086 0.000 0.992 146 D CA 3.360 57.210 54.000 -0.250 0.000 0.833 146 D CB -0.465 40.121 40.800 -0.357 0.000 0.954 146 D HN -0.581 7.318 8.370 -0.533 0.151 0.455 147 F N -2.058 117.906 119.950 0.023 0.000 2.154 147 F HA -0.426 4.170 4.527 0.114 0.000 0.301 147 F C 1.797 177.580 175.800 -0.028 0.000 1.087 147 F CA 3.636 61.667 58.000 0.052 0.000 1.274 147 F CB -0.804 38.224 39.000 0.047 0.000 1.009 147 F HN -0.128 7.912 8.300 -0.279 0.093 0.485 148 A N -1.364 121.507 122.820 0.085 0.000 1.897 148 A HA -0.378 3.862 4.320 -0.135 0.000 0.215 148 A C 1.588 179.137 177.584 -0.059 0.000 1.181 148 A CA 2.706 54.705 52.037 -0.064 0.000 0.620 148 A CB -0.943 17.991 19.000 -0.109 0.000 0.821 148 A HN -0.612 7.466 8.150 0.068 0.113 0.443 149 A N -0.858 121.940 122.820 -0.036 0.000 1.877 149 A HA -0.251 4.042 4.320 -0.044 0.000 0.216 149 A C 2.276 179.858 177.584 -0.003 0.000 1.186 149 A CA 2.724 54.742 52.037 -0.033 0.000 0.620 149 A CB -0.388 18.585 19.000 -0.044 0.000 0.822 149 A HN 0.027 8.065 8.150 -0.042 0.087 0.443 150 K N -0.923 119.498 120.400 0.035 0.000 2.002 150 K HA -0.281 4.051 4.320 0.019 0.000 0.209 150 K C 1.849 178.476 176.600 0.045 0.000 1.048 150 K CA 2.260 58.578 56.287 0.051 0.000 0.930 150 K CB -0.397 32.166 32.500 0.104 0.000 0.714 150 K HN 0.094 8.372 8.250 0.046 0.000 0.438 151 H N -2.026 117.051 119.070 0.012 0.000 2.524 151 H HA 0.118 4.684 4.556 0.017 0.000 0.280 151 H C -0.023 175.274 175.328 -0.052 0.000 1.018 151 H CA -0.051 55.995 56.048 -0.002 0.000 1.165 151 H CB 0.277 30.048 29.762 0.014 0.000 1.411 151 H HN -0.691 7.698 8.280 0.182 0.000 0.569 152 G N -0.403 108.415 108.800 0.030 0.000 2.273 152 G HA2 -0.339 3.606 3.960 -0.040 0.000 0.280 152 G HA3 -0.339 3.639 3.960 0.029 0.000 0.280 152 G C 0.120 174.910 174.900 -0.183 0.000 1.047 152 G CA 0.675 45.762 45.100 -0.022 0.000 0.869 152 G HN -0.452 7.647 8.290 0.017 0.201 0.502 153 L N -2.264 118.694 121.223 -0.443 0.000 2.693 153 L HA -0.042 2.695 4.340 -2.672 0.000 0.242 153 L C 0.808 177.284 176.870 -0.658 0.000 1.157 153 L CA -0.659 53.419 54.840 -1.270 0.000 0.929 153 L CB -2.081 39.375 42.059 -1.006 0.000 1.103 153 L HN 0.283 8.250 8.230 -0.256 0.109 0.430 154 G N -0.367 108.277 108.800 -0.260 0.000 2.764 154 G HA2 -0.357 3.545 3.960 -0.097 0.000 0.219 154 G HA3 -0.357 3.575 3.960 -0.046 0.000 0.219 154 G C -0.381 174.514 174.900 -0.009 0.000 1.259 154 G CA 1.207 46.250 45.100 -0.094 0.000 0.793 154 G HN -0.192 7.830 8.290 -0.213 0.140 0.633 155 E N 0.935 121.193 120.200 0.096 0.000 2.220 155 E HA 0.127 4.528 4.350 0.085 0.000 0.272 155 E C -2.279 174.478 176.600 0.261 0.000 1.099 155 E CA -3.005 53.483 56.400 0.146 0.000 0.907 155 E CB -0.349 29.428 29.700 0.130 0.000 1.022 155 E HN -0.020 8.409 8.360 0.115 0.000 0.428 156 P HA 0.191 4.806 4.420 0.324 0.000 0.286 156 P C -0.251 177.105 177.300 0.094 0.000 1.269 156 P CA -0.916 62.296 63.100 0.186 0.000 0.787 156 P CB 1.368 33.136 31.700 0.113 0.000 0.920 157 I N -1.822 118.765 120.570 0.029 0.000 2.406 157 I HA -0.093 4.045 4.170 -0.053 0.000 0.249 157 I C -1.094 175.007 176.117 -0.027 0.000 1.122 157 I CA 1.344 62.607 61.300 -0.062 0.000 1.431 157 I CB 0.362 38.251 38.000 -0.186 0.000 1.087 157 I HN 0.078 8.323 8.210 0.057 0.000 0.424 158 A N -3.461 119.361 122.820 0.002 0.000 2.488 158 A HA 0.295 4.574 4.320 0.042 0.067 0.295 158 A C -3.046 174.594 177.584 0.094 0.000 1.045 158 A CA -0.583 51.478 52.037 0.039 0.000 0.703 158 A CB 2.660 21.676 19.000 0.027 0.000 1.271 158 A HN -0.421 7.735 8.150 0.010 0.000 0.400 159 A N 1.972 124.863 122.820 0.119 0.000 2.539 159 A HA 0.978 5.566 4.320 0.199 -0.149 0.296 159 A C -2.405 175.255 177.584 0.127 0.000 1.073 159 A CA -1.468 50.682 52.037 0.188 0.000 0.700 159 A CB 3.658 22.813 19.000 0.260 0.000 1.296 159 A HN -0.037 8.170 8.150 0.096 0.000 0.405 160 N N 0.897 119.696 118.700 0.166 0.000 2.367 160 N HA 0.361 4.799 4.740 -0.503 0.000 0.278 160 N C -2.921 172.694 175.510 0.174 0.000 1.117 160 N CA -0.071 52.924 53.050 -0.092 0.000 0.867 160 N CB 3.647 42.098 38.487 -0.059 0.000 1.649 160 N HN 0.655 9.226 8.380 0.317 0.000 0.479 161 Y N -2.256 118.171 120.300 0.211 0.000 2.625 161 Y HA 0.950 5.802 4.550 0.313 -0.114 0.338 161 Y C -1.910 174.134 175.900 0.240 0.000 1.123 161 Y CA -2.738 55.484 58.100 0.203 0.000 1.046 161 Y CB 3.369 41.861 38.460 0.053 0.000 1.299 161 Y HN -0.035 7.755 8.280 -0.817 0.000 0.464 162 Y N -4.604 115.897 120.300 0.334 0.000 2.581 162 Y HA 0.488 5.008 4.550 0.120 0.102 0.337 162 Y C -2.806 173.159 175.900 0.109 0.000 1.108 162 Y CA -1.777 56.425 58.100 0.169 0.000 1.033 162 Y CB 2.516 41.043 38.460 0.111 0.000 1.318 162 Y HN 0.799 9.113 8.280 0.055 0.000 0.459 163 Q N -0.302 119.681 119.800 0.305 0.000 2.312 163 Q HA 0.644 5.179 4.340 -0.004 -0.197 0.263 163 Q C -1.185 174.901 176.000 0.143 0.000 0.995 163 Q CA -1.642 54.236 55.803 0.126 0.000 0.853 163 Q CB 3.707 32.480 28.738 0.058 0.000 1.300 163 Q HN -0.248 8.194 8.270 0.286 0.000 0.448 164 A N 2.442 125.239 122.820 -0.038 0.000 2.589 164 A HA 0.443 4.726 4.320 -0.062 0.000 0.296 164 A C -2.601 174.796 177.584 -0.312 0.000 1.062 164 A CA -0.356 51.620 52.037 -0.101 0.000 0.686 164 A CB 3.550 22.581 19.000 0.051 0.000 1.282 164 A HN 1.040 8.944 8.150 -0.223 0.112 0.404 165 Q N 0.790 120.431 119.800 -0.264 0.000 2.456 165 Q HA 0.297 4.252 4.340 -0.641 0.000 0.283 165 Q C -2.571 173.254 176.000 -0.291 0.000 1.084 165 Q CA -0.792 54.780 55.803 -0.385 0.000 0.801 165 Q CB 3.271 31.923 28.738 -0.143 0.000 1.434 165 Q HN 0.115 8.305 8.270 -0.134 0.000 0.419 166 Y N -4.305 116.074 120.300 0.131 0.000 2.713 166 Y HA 0.226 4.837 4.550 0.102 0.000 0.335 166 Y C -1.977 173.991 175.900 0.112 0.000 1.222 166 Y CA -2.939 55.232 58.100 0.118 0.000 1.061 166 Y CB 0.838 39.379 38.460 0.134 0.000 1.314 166 Y HN -0.066 7.982 8.280 -0.387 0.000 0.453 167 D N 0.970 121.588 120.400 0.363 0.000 2.419 167 D HA -0.210 4.552 4.640 0.203 0.000 0.236 167 D C 0.893 177.359 176.300 0.277 0.000 1.165 167 D CA 1.216 55.372 54.000 0.260 0.000 0.882 167 D CB 1.039 41.967 40.800 0.213 0.000 1.201 167 D HN 0.142 8.715 8.370 0.338 0.000 0.443 168 D N 0.555 121.079 120.400 0.207 0.000 2.393 168 D HA -0.312 4.439 4.640 0.185 0.000 0.220 168 D C 1.382 177.776 176.300 0.157 0.000 0.974 168 D CA 2.412 56.514 54.000 0.170 0.000 0.931 168 D CB -0.070 40.804 40.800 0.124 0.000 0.889 168 D HN 0.410 8.882 8.370 0.171 0.000 0.512 169 Y N -0.533 119.789 120.300 0.037 0.000 2.181 169 Y HA -0.382 4.164 4.550 -0.006 0.000 0.288 169 Y C 1.092 176.955 175.900 -0.061 0.000 1.146 169 Y CA 2.677 60.772 58.100 -0.008 0.000 1.164 169 Y CB -0.225 38.231 38.460 -0.007 0.000 0.982 169 Y HN -0.448 7.898 8.280 0.288 0.107 0.515 170 V N -1.206 118.543 119.914 -0.276 0.000 2.261 170 V HA -0.341 3.380 4.120 -0.664 0.000 0.246 170 V C -0.456 175.437 176.094 -0.336 0.000 1.047 170 V CA 6.112 68.102 62.300 -0.516 0.000 1.015 170 V CB -2.316 28.953 31.823 -0.924 0.000 0.642 170 V HN -0.306 7.846 8.190 -0.063 0.000 0.446 171 P HA -0.209 4.449 4.420 -0.049 -0.267 0.217 171 P C 2.031 179.285 177.300 -0.078 0.000 1.148 171 P CA 3.012 66.083 63.100 -0.048 0.000 0.828 171 P CB -0.356 31.379 31.700 0.059 0.000 0.783 172 I N -2.572 117.945 120.570 -0.089 0.000 2.315 172 I HA -0.588 3.567 4.170 -0.024 0.000 0.251 172 I C 2.141 178.188 176.117 -0.117 0.000 1.125 172 I CA 3.406 64.665 61.300 -0.069 0.000 1.392 172 I CB -0.431 37.557 38.000 -0.019 0.000 1.065 172 I HN -0.265 7.768 8.210 -0.086 0.125 0.424 173 R N -0.882 119.497 120.500 -0.201 0.000 2.133 173 R HA -0.381 3.847 4.340 -0.186 0.000 0.247 173 R C 2.683 178.899 176.300 -0.139 0.000 1.151 173 R CA 3.045 59.027 56.100 -0.197 0.000 0.971 173 R CB -0.976 29.171 30.300 -0.256 0.000 0.866 173 R HN 0.166 8.144 8.270 -0.268 0.131 0.447 174 N N -0.825 117.805 118.700 -0.116 0.000 2.149 174 N HA -0.286 4.393 4.740 -0.102 0.000 0.188 174 N C 1.743 177.210 175.510 -0.072 0.000 1.019 174 N CA 3.007 56.003 53.050 -0.089 0.000 0.857 174 N CB -0.510 37.941 38.487 -0.060 0.000 0.997 174 N HN 0.296 8.471 8.380 -0.119 0.133 0.426 175 K N -1.609 118.755 120.400 -0.059 0.000 2.152 175 K HA -0.223 4.073 4.320 -0.040 0.000 0.206 175 K C 1.616 178.187 176.600 -0.049 0.000 1.048 175 K CA 2.152 58.413 56.287 -0.044 0.000 0.933 175 K CB -0.793 31.691 32.500 -0.027 0.000 0.721 175 K HN 0.138 8.211 8.250 -0.061 0.141 0.447 176 T N -1.181 113.336 114.554 -0.062 0.000 3.051 176 T HA -0.185 4.136 4.350 -0.047 0.000 0.269 176 T C 0.189 174.852 174.700 -0.062 0.000 1.127 176 T CA 0.374 62.438 62.100 -0.060 0.000 1.107 176 T CB -0.221 68.604 68.868 -0.071 0.000 0.898 176 T HN -0.640 7.428 8.240 -0.074 0.128 0.517 177 I N 2.482 123.012 120.570 -0.068 0.000 2.668 177 I HA -0.359 3.769 4.170 -0.069 0.000 0.285 177 I C 0.141 176.226 176.117 -0.053 0.000 1.168 177 I CA 1.724 62.984 61.300 -0.066 0.000 1.424 177 I CB -0.273 37.683 38.000 -0.073 0.000 1.377 177 I HN -0.187 7.775 8.210 -0.071 0.206 0.560 178 V N 2.295 122.181 119.914 -0.047 0.000 3.392 178 V HA 0.382 4.479 4.120 -0.038 0.000 0.294 178 V C 0.240 176.315 176.094 -0.032 0.000 1.561 178 V CA -1.032 61.246 62.300 -0.038 0.000 1.056 178 V CB 1.252 33.056 31.823 -0.032 0.000 0.882 178 V HN 0.374 8.535 8.190 -0.048 0.000 0.440 179 G N 0.000 108.780 108.800 -0.034 0.000 5.446 179 G HA2 0.000 nan 3.960 nan 0.000 0.244 179 G HA3 0.000 3.946 3.960 -0.023 0.000 0.244 179 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 179 G HN 0.000 8.181 8.290 -0.040 0.085 0.925