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 1ngl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQDSTSDLIP APPLSKVPLQ QNFQDNQFQG KWYVVGLAGN AILREDKDPQ DATA SEQUENCE KMYATIYELK EDKSYNVTSV LFRKKKcDYW IRTFVPGCQP GEFTLGNIKS DATA SEQUENCE YPGLTSYLVR VVSTNYNQHA MVFFKKVSQN REYFKITLYG RTKELTSELK DATA SEQUENCE ENFIRFSKSL GLPENHIVFP VPIDQcIDG 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 4.481 4.480 0.001 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 Q N -0.149 119.651 119.800 0.001 0.000 2.475 2 Q HA -0.295 4.045 4.340 0.001 0.000 0.280 2 Q C -1.964 174.036 176.000 0.000 0.000 1.234 2 Q CA 0.890 56.693 55.803 0.001 0.000 0.873 2 Q CB -0.743 27.995 28.738 0.001 0.000 1.256 2 Q HN 0.059 8.330 8.270 0.001 0.000 0.475 3 D N -2.385 118.015 120.400 -0.000 0.000 2.692 3 D HA 0.191 4.830 4.640 -0.001 0.000 0.303 3 D C -1.742 174.557 176.300 -0.001 0.000 1.278 3 D CA -0.763 53.236 54.000 -0.001 0.000 0.852 3 D CB 1.587 42.387 40.800 -0.000 0.000 1.375 3 D HN -0.249 8.112 8.370 0.000 0.008 0.453 4 S N -0.015 115.684 115.700 -0.002 0.000 2.626 4 S HA -0.134 4.335 4.470 -0.003 0.000 0.303 4 S C -0.385 174.213 174.600 -0.002 0.000 1.256 4 S CA 0.545 58.744 58.200 -0.002 0.000 1.069 4 S CB 0.384 63.583 63.200 -0.003 0.000 0.807 4 S HN 0.101 8.410 8.310 -0.002 0.000 0.500 5 T N 2.245 116.797 114.554 -0.002 0.000 2.645 5 T HA 0.171 4.520 4.350 -0.002 0.000 0.273 5 T C -0.594 174.104 174.700 -0.003 0.000 0.960 5 T CA -1.310 60.789 62.100 -0.002 0.000 1.051 5 T CB 1.241 70.108 68.868 -0.001 0.000 1.366 5 T HN -0.286 7.952 8.240 -0.003 0.000 0.536 6 S N 0.406 116.104 115.700 -0.003 0.000 2.790 6 S HA 0.103 4.570 4.470 -0.005 0.000 0.202 6 S C -0.702 173.895 174.600 -0.005 0.000 1.383 6 S CA -0.187 58.010 58.200 -0.004 0.000 1.026 6 S CB -0.195 63.003 63.200 -0.004 0.000 1.253 6 S HN 0.042 8.351 8.310 -0.002 0.000 0.489 7 D N 3.063 123.460 120.400 -0.005 0.000 2.696 7 D HA 0.243 4.880 4.640 -0.005 0.000 0.269 7 D C 0.615 176.910 176.300 -0.008 0.000 1.319 7 D CA 0.036 54.032 54.000 -0.006 0.000 0.826 7 D CB 0.508 41.305 40.800 -0.004 0.000 1.086 7 D HN 0.127 8.493 8.370 -0.006 0.000 0.481 8 L N -1.603 119.614 121.223 -0.010 0.000 2.056 8 L HA -0.152 4.181 4.340 -0.012 0.000 0.207 8 L C 0.743 177.603 176.870 -0.015 0.000 1.078 8 L CA 0.928 55.761 54.840 -0.012 0.000 0.749 8 L CB 0.085 42.136 42.059 -0.014 0.000 0.901 8 L HN -0.156 7.994 8.230 -0.009 0.074 0.433 9 I N -0.529 120.031 120.570 -0.016 0.000 2.710 9 I HA -0.098 4.058 4.170 -0.024 0.000 0.286 9 I C -1.176 174.930 176.117 -0.018 0.000 1.181 9 I CA -1.346 59.942 61.300 -0.020 0.000 1.430 9 I CB 0.171 38.160 38.000 -0.019 0.000 1.367 9 I HN -0.483 7.718 8.210 -0.014 0.000 0.577 10 P HA 0.130 4.540 4.420 -0.017 0.000 0.293 10 P C -1.280 176.007 177.300 -0.021 0.000 1.304 10 P CA -1.158 61.929 63.100 -0.021 0.000 0.767 10 P CB 0.790 32.475 31.700 -0.025 0.000 1.247 11 A N 0.183 122.990 122.820 -0.020 0.000 2.491 11 A HA 0.060 4.370 4.320 -0.016 0.000 0.261 11 A C -1.626 175.941 177.584 -0.028 0.000 1.101 11 A CA -0.808 51.217 52.037 -0.021 0.000 0.772 11 A CB -1.162 17.826 19.000 -0.020 0.000 1.043 11 A HN 0.055 8.193 8.150 -0.020 0.000 0.501 12 P HA 0.269 4.664 4.420 -0.041 0.000 0.276 12 P C -1.849 175.426 177.300 -0.040 0.000 1.243 12 P CA -1.385 61.694 63.100 -0.035 0.000 0.768 12 P CB 0.120 31.804 31.700 -0.027 0.000 0.856 13 P HA 0.097 4.489 4.420 -0.047 0.000 0.279 13 P C 0.460 177.729 177.300 -0.052 0.000 1.282 13 P CA -1.052 62.019 63.100 -0.048 0.000 0.788 13 P CB 0.736 32.407 31.700 -0.047 0.000 1.139 14 L N -3.520 117.668 121.223 -0.059 0.000 2.622 14 L HA -0.039 4.244 4.340 -0.095 0.000 0.233 14 L C 1.190 178.035 176.870 -0.041 0.000 1.156 14 L CA 1.802 56.598 54.840 -0.074 0.000 0.866 14 L CB -0.579 41.428 42.059 -0.086 0.000 0.980 14 L HN 0.013 8.209 8.230 -0.057 0.000 0.448 15 S N 1.243 116.929 115.700 -0.023 0.000 2.423 15 S HA -0.273 4.207 4.470 0.016 0.000 0.238 15 S C 0.673 175.335 174.600 0.103 0.000 1.028 15 S CA 2.381 60.590 58.200 0.015 0.000 1.000 15 S CB -0.486 62.698 63.200 -0.027 0.000 0.797 15 S HN 0.197 8.389 8.310 -0.036 0.096 0.487 16 K N -2.494 117.961 120.400 0.092 0.000 2.596 16 K HA 0.060 4.613 4.320 0.389 0.000 0.211 16 K C -0.650 175.980 176.600 0.051 0.000 1.046 16 K CA 0.401 56.798 56.287 0.183 0.000 1.202 16 K CB -0.160 32.431 32.500 0.152 0.000 0.925 16 K HN -0.618 7.612 8.250 0.028 0.036 0.486 17 V N -2.357 117.549 119.914 -0.014 0.000 3.098 17 V HA 0.360 4.396 4.120 -0.140 0.000 0.416 17 V C -1.692 174.328 176.094 -0.123 0.000 1.449 17 V CA -3.823 58.402 62.300 -0.125 0.000 1.486 17 V CB -0.101 31.606 31.823 -0.194 0.000 1.277 17 V HN 0.223 8.220 8.190 0.006 0.197 0.623 18 P HA 0.196 4.580 4.420 -0.060 0.000 0.277 18 P C -2.055 175.204 177.300 -0.068 0.000 1.271 18 P CA -0.813 62.252 63.100 -0.057 0.000 0.795 18 P CB 0.891 32.576 31.700 -0.025 0.000 1.101 19 L N -5.810 115.384 121.223 -0.049 0.000 2.393 19 L HA 0.476 4.933 4.340 -0.043 -0.142 0.260 19 L C -1.160 175.705 176.870 -0.009 0.000 1.002 19 L CA -1.499 53.320 54.840 -0.036 0.000 0.818 19 L CB 3.920 45.956 42.059 -0.039 0.000 1.369 19 L HN -0.321 7.887 8.230 -0.038 0.000 0.412 20 Q N 1.781 121.583 119.800 0.004 0.000 2.395 20 Q HA -0.068 4.293 4.340 0.035 0.000 0.271 20 Q C 0.384 176.433 176.000 0.082 0.000 1.026 20 Q CA 0.335 56.163 55.803 0.042 0.000 0.900 20 Q CB 0.950 29.702 28.738 0.024 0.000 1.266 20 Q HN -0.364 7.902 8.270 -0.006 0.000 0.430 21 Q N 4.061 123.933 119.800 0.120 0.000 2.713 21 Q HA -0.182 4.199 4.340 0.068 0.000 0.200 21 Q C 0.009 176.089 176.000 0.134 0.000 1.194 21 Q CA 0.804 56.672 55.803 0.109 0.000 1.240 21 Q CB 0.487 29.295 28.738 0.116 0.000 1.902 21 Q HN 0.309 8.664 8.270 0.143 0.000 0.655 22 N N -2.221 116.545 118.700 0.109 0.000 2.410 22 N HA -0.143 4.653 4.740 0.095 0.000 0.231 22 N C -0.763 174.836 175.510 0.149 0.000 1.172 22 N CA -0.208 52.901 53.050 0.099 0.000 0.849 22 N CB 0.121 38.636 38.487 0.045 0.000 1.116 22 N HN -0.075 8.354 8.380 0.082 0.000 0.485 23 F N 1.271 121.273 119.950 0.087 0.000 2.626 23 F HA -0.293 4.321 4.527 0.144 0.000 0.354 23 F C -0.492 175.395 175.800 0.145 0.000 1.168 23 F CA 0.723 58.806 58.000 0.138 0.000 1.368 23 F CB 0.659 39.764 39.000 0.176 0.000 1.092 23 F HN -0.517 7.886 8.300 0.364 0.115 0.612 24 Q N 1.379 121.426 119.800 0.412 0.000 2.215 24 Q HA 0.204 4.705 4.340 0.269 0.000 0.256 24 Q C 0.353 176.673 176.000 0.532 0.000 0.972 24 Q CA -1.666 54.344 55.803 0.345 0.000 0.889 24 Q CB 1.133 29.970 28.738 0.166 0.000 1.281 24 Q HN -0.045 8.259 8.270 0.057 0.000 0.456 25 D N 1.152 121.807 120.400 0.425 0.000 2.149 25 D HA -0.278 4.810 4.640 0.748 0.000 0.201 25 D C 1.231 177.798 176.300 0.444 0.000 0.972 25 D CA 2.942 57.260 54.000 0.529 0.000 0.835 25 D CB -0.133 40.847 40.800 0.300 0.000 0.966 25 D HN 0.429 8.986 8.370 0.311 0.000 0.476 26 N N -2.325 116.549 118.700 0.290 0.000 2.364 26 N HA -0.260 4.585 4.740 0.175 0.000 0.183 26 N C 0.889 176.545 175.510 0.243 0.000 1.022 26 N CA 2.181 55.356 53.050 0.209 0.000 0.883 26 N CB -0.479 38.088 38.487 0.132 0.000 0.965 26 N HN 0.196 8.721 8.380 0.243 0.000 0.438 27 Q N -2.782 117.212 119.800 0.322 0.000 2.316 27 Q HA -0.062 4.407 4.340 0.214 0.000 0.235 27 Q C 0.074 176.330 176.000 0.427 0.000 0.863 27 Q CA 0.085 56.069 55.803 0.302 0.000 0.939 27 Q CB 0.608 29.485 28.738 0.232 0.000 1.108 27 Q HN -0.563 7.904 8.270 0.382 0.032 0.522 28 F N 0.105 120.313 119.950 0.429 0.000 2.293 28 F HA -0.237 4.456 4.527 0.277 0.000 0.300 28 F C -0.526 175.506 175.800 0.385 0.000 1.086 28 F CA 1.649 59.861 58.000 0.353 0.000 1.375 28 F CB 1.241 40.417 39.000 0.294 0.000 1.045 28 F HN -0.802 7.837 8.300 0.730 0.099 0.516 29 Q N -1.087 119.023 119.800 0.517 0.000 2.247 29 Q HA -0.213 4.467 4.340 0.479 -0.052 0.288 29 Q C -0.798 175.282 176.000 0.134 0.000 1.079 29 Q CA 0.836 56.867 55.803 0.380 0.000 0.932 29 Q CB -0.086 28.869 28.738 0.361 0.000 1.133 29 Q HN -0.810 7.780 8.270 0.574 0.024 0.377 30 G N 1.744 110.429 108.800 -0.193 0.000 2.664 30 G HA2 0.134 4.016 3.960 -0.130 0.000 0.303 30 G HA3 0.134 4.028 3.960 -0.111 0.000 0.303 30 G C -2.921 171.332 174.900 -1.078 0.000 1.243 30 G CA -0.360 44.474 45.100 -0.443 0.000 0.826 30 G HN -0.613 7.511 8.290 -0.277 0.000 0.498 31 K N 1.597 121.463 120.400 -0.890 0.000 2.640 31 K HA 0.424 4.487 4.320 -0.661 -0.139 0.245 31 K C -0.863 175.834 176.600 0.161 0.000 0.962 31 K CA -1.370 54.633 56.287 -0.472 0.000 0.896 31 K CB 1.800 34.270 32.500 -0.049 0.000 1.147 31 K HN 0.181 8.291 8.250 -0.232 0.000 0.445 32 W N 5.364 126.693 121.300 0.047 0.000 2.415 32 W HA 0.111 4.950 4.660 0.093 -0.123 0.355 32 W C -1.248 175.446 176.519 0.290 0.000 1.161 32 W CA -2.548 54.806 57.345 0.016 0.000 1.315 32 W CB 2.279 31.318 29.460 -0.701 0.000 1.261 32 W HN 0.555 8.359 8.180 -0.627 0.000 0.636 33 Y N -1.921 118.561 120.300 0.304 0.000 2.335 33 Y HA 0.040 4.671 4.550 0.135 0.000 0.339 33 Y C 0.431 176.446 175.900 0.191 0.000 0.987 33 Y CA -1.089 57.121 58.100 0.183 0.000 1.140 33 Y CB 0.536 39.079 38.460 0.139 0.000 1.173 33 Y HN 0.165 8.804 8.280 0.714 0.069 0.486 34 V N 6.502 126.478 119.914 0.104 0.000 2.485 34 V HA -0.182 4.075 4.120 0.228 0.000 0.287 34 V C -1.256 174.828 176.094 -0.016 0.000 1.022 34 V CA 1.162 63.469 62.300 0.011 0.000 1.067 34 V CB -1.208 30.327 31.823 -0.481 0.000 0.967 34 V HN 0.148 8.306 8.190 -0.053 0.000 0.479 35 V N 3.654 123.573 119.914 0.008 0.000 3.432 35 V HA 0.203 4.323 4.120 -0.000 0.000 0.298 35 V C -0.811 175.196 176.094 -0.143 0.000 1.464 35 V CA -0.922 61.350 62.300 -0.047 0.000 1.046 35 V CB 1.630 33.424 31.823 -0.048 0.000 0.887 35 V HN 0.712 8.833 8.190 0.059 0.104 0.441 36 G N -2.028 106.664 108.800 -0.179 0.000 2.547 36 G HA2 0.311 4.343 3.960 0.120 0.000 0.291 36 G HA3 0.311 4.009 3.960 -0.436 0.000 0.291 36 G C -3.007 171.970 174.900 0.128 0.000 1.471 36 G CA 0.298 45.354 45.100 -0.073 0.000 0.798 36 G HN -0.770 7.452 8.290 -0.113 0.000 0.504 37 L N 0.351 121.756 121.223 0.304 0.000 2.562 37 L HA 0.563 5.176 4.340 0.282 -0.104 0.266 37 L C -3.398 173.653 176.870 0.302 0.000 0.949 37 L CA -0.259 54.744 54.840 0.272 0.000 0.879 37 L CB 3.242 45.403 42.059 0.169 0.000 1.278 37 L HN 0.185 8.648 8.230 0.389 0.000 0.404 38 A N 4.017 127.019 122.820 0.303 0.000 2.488 38 A HA 0.967 5.660 4.320 0.230 -0.235 0.298 38 A C -2.110 175.614 177.584 0.234 0.000 1.044 38 A CA -1.076 51.115 52.037 0.258 0.000 0.693 38 A CB 3.892 23.047 19.000 0.258 0.000 1.272 38 A HN 0.595 8.937 8.150 0.320 0.000 0.402 39 G N 0.313 109.203 108.800 0.150 0.000 2.523 39 G HA2 0.374 4.370 3.960 0.094 0.000 0.291 39 G HA3 0.374 4.403 3.960 -0.104 -0.132 0.291 39 G C -1.766 172.981 174.900 -0.255 0.000 1.450 39 G CA 0.019 45.083 45.100 -0.060 0.000 0.790 39 G HN -0.144 8.243 8.290 0.162 0.000 0.496 40 N N -0.735 117.443 118.700 -0.871 0.000 2.354 40 N HA -0.143 4.653 4.740 -0.215 -0.185 0.179 40 N C 0.253 175.663 175.510 -0.167 0.000 1.021 40 N CA 1.643 54.411 53.050 -0.470 0.000 0.887 40 N CB 0.122 38.191 38.487 -0.696 0.000 0.974 40 N HN -0.050 7.094 8.380 -2.061 0.000 0.437 41 A N -1.016 121.687 122.820 -0.194 0.000 2.500 41 A HA 0.153 4.479 4.320 0.010 0.000 0.267 41 A C -1.223 176.342 177.584 -0.032 0.000 1.290 41 A CA -0.878 51.135 52.037 -0.039 0.000 0.928 41 A CB 0.688 19.688 19.000 -0.001 0.000 1.066 41 A HN -0.575 7.319 8.150 -0.379 0.028 0.516 42 I N -0.546 120.032 120.570 0.014 0.000 2.385 42 I HA -0.065 4.072 4.170 -0.055 0.000 0.294 42 I C -1.101 174.863 176.117 -0.256 0.000 0.988 42 I CA -0.457 60.819 61.300 -0.040 0.000 1.265 42 I CB 1.413 39.444 38.000 0.053 0.000 1.388 42 I HN -0.921 7.157 8.210 0.072 0.176 0.480 43 L N 6.521 127.587 121.223 -0.261 0.000 2.315 43 L HA 0.123 4.026 4.340 -0.729 0.000 0.278 43 L C -1.194 175.529 176.870 -0.246 0.000 1.088 43 L CA -0.891 53.714 54.840 -0.392 0.000 0.899 43 L CB -0.549 41.372 42.059 -0.230 0.000 1.277 43 L HN 0.368 8.505 8.230 -0.155 0.000 0.431 44 R N 5.638 125.988 120.500 -0.250 0.000 2.204 44 R HA 0.129 4.439 4.340 -0.049 0.000 0.341 44 R C -1.020 175.254 176.300 -0.044 0.000 1.035 44 R CA -0.546 55.517 56.100 -0.061 0.000 0.887 44 R CB 0.384 30.716 30.300 0.055 0.000 1.114 44 R HN -0.028 7.950 8.270 -0.486 0.000 0.473 45 E N 6.047 126.217 120.200 -0.049 0.000 2.183 45 E HA 0.119 4.462 4.350 -0.011 0.000 0.271 45 E C -0.954 175.634 176.600 -0.020 0.000 0.919 45 E CA -0.992 55.391 56.400 -0.029 0.000 0.781 45 E CB 2.390 32.063 29.700 -0.044 0.000 1.140 45 E HN 0.116 8.442 8.360 -0.056 0.000 0.402 46 D N 4.132 124.528 120.400 -0.007 0.000 2.123 46 D HA -0.243 4.388 4.640 -0.016 0.000 0.196 46 D C 0.969 177.259 176.300 -0.018 0.000 0.992 46 D CA 2.643 56.636 54.000 -0.011 0.000 0.833 46 D CB 0.283 41.083 40.800 -0.000 0.000 0.954 46 D HN 0.436 8.808 8.370 0.003 0.000 0.455 47 K N -1.683 118.708 120.400 -0.016 0.000 2.057 47 K HA -0.173 4.137 4.320 -0.016 0.000 0.207 47 K C 0.048 176.633 176.600 -0.024 0.000 1.049 47 K CA 1.438 57.714 56.287 -0.018 0.000 0.931 47 K CB 0.062 32.552 32.500 -0.017 0.000 0.714 47 K HN -0.258 7.978 8.250 -0.013 0.007 0.440 48 D N -2.319 118.064 120.400 -0.029 0.000 2.412 48 D HA 0.442 5.063 4.640 -0.031 0.000 0.276 48 D C -2.204 174.073 176.300 -0.038 0.000 1.196 48 D CA -3.072 50.908 54.000 -0.034 0.000 0.905 48 D CB 1.007 41.785 40.800 -0.036 0.000 1.081 48 D HN -0.139 8.118 8.370 -0.029 0.096 0.502 49 P HA 0.071 4.461 4.420 -0.050 0.000 0.272 49 P C -1.157 176.117 177.300 -0.044 0.000 1.223 49 P CA -0.399 62.671 63.100 -0.050 0.000 0.784 49 P CB 1.039 32.700 31.700 -0.064 0.000 0.923 50 Q N 2.809 122.584 119.800 -0.041 0.000 2.274 50 Q HA 0.023 4.359 4.340 -0.007 0.000 0.256 50 Q C -0.228 175.756 176.000 -0.027 0.000 0.927 50 Q CA -0.666 55.127 55.803 -0.015 0.000 0.939 50 Q CB 1.164 29.909 28.738 0.011 0.000 1.201 50 Q HN 0.162 8.404 8.270 -0.047 0.000 0.426 51 K N 5.500 125.892 120.400 -0.012 0.000 2.382 51 K HA -0.095 4.176 4.320 -0.082 0.000 0.275 51 K C -0.293 176.302 176.600 -0.009 0.000 1.009 51 K CA 0.176 56.441 56.287 -0.038 0.000 0.970 51 K CB 0.568 33.051 32.500 -0.028 0.000 0.934 51 K HN 0.266 8.518 8.250 0.004 0.000 0.479 52 M N 1.723 121.271 119.600 -0.087 0.000 2.241 52 M HA 0.020 4.334 4.480 -0.277 0.000 0.335 52 M C -1.395 174.834 176.300 -0.117 0.000 1.122 52 M CA 1.083 56.272 55.300 -0.184 0.000 1.164 52 M CB 1.212 33.703 32.600 -0.181 0.000 1.459 52 M HN -0.230 7.991 8.290 -0.114 0.000 0.461 53 Y N -3.091 117.185 120.300 -0.041 0.000 3.048 53 Y HA 0.353 4.847 4.550 -0.093 0.000 0.305 53 Y C -2.712 173.122 175.900 -0.110 0.000 1.538 53 Y CA -2.355 55.700 58.100 -0.076 0.000 1.082 53 Y CB 0.780 39.209 38.460 -0.051 0.000 1.388 53 Y HN -0.529 7.048 8.280 -1.171 0.000 0.557 54 A N -3.621 119.319 122.820 0.200 0.000 2.498 54 A HA 0.563 4.864 4.320 -0.031 0.000 0.298 54 A C -1.604 176.055 177.584 0.125 0.000 1.075 54 A CA -1.360 50.689 52.037 0.020 0.000 0.714 54 A CB 3.166 22.030 19.000 -0.227 0.000 1.299 54 A HN 0.465 8.783 8.150 0.279 0.000 0.407 55 T N 2.031 116.606 114.554 0.034 0.000 2.971 55 T HA 0.792 5.300 4.350 -0.117 -0.227 0.304 55 T C -1.733 172.731 174.700 -0.393 0.000 1.038 55 T CA -0.372 61.653 62.100 -0.125 0.000 1.007 55 T CB 2.845 71.706 68.868 -0.011 0.000 1.055 55 T HN -0.104 8.154 8.240 0.029 0.000 0.451 56 I N 5.028 125.322 120.570 -0.459 0.000 2.404 56 I HA 0.378 4.308 4.170 -0.644 -0.146 0.293 56 I C -1.414 174.328 176.117 -0.625 0.000 0.992 56 I CA -1.152 59.838 61.300 -0.517 0.000 1.149 56 I CB 2.833 40.676 38.000 -0.262 0.000 1.315 56 I HN 1.277 9.145 8.210 -0.349 0.132 0.446 57 Y N 6.611 126.590 120.300 -0.535 0.000 2.404 57 Y HA 0.078 4.557 4.550 -0.118 0.000 0.344 57 Y C -1.349 174.546 175.900 -0.009 0.000 0.970 57 Y CA -0.392 57.589 58.100 -0.198 0.000 1.180 57 Y CB 0.640 39.019 38.460 -0.136 0.000 1.138 57 Y HN 0.689 8.550 8.280 -0.513 0.111 0.510 58 E N 5.122 125.423 120.200 0.169 0.000 2.145 58 E HA 0.342 4.795 4.350 0.172 0.000 0.262 58 E C -2.059 174.708 176.600 0.278 0.000 0.883 58 E CA -2.131 54.373 56.400 0.174 0.000 0.748 58 E CB 2.978 32.692 29.700 0.023 0.000 1.140 58 E HN -0.132 8.278 8.360 0.083 0.000 0.417 59 L N 6.838 128.237 121.223 0.293 0.000 2.466 59 L HA 0.537 4.945 4.340 -0.160 -0.163 0.257 59 L C -0.970 175.889 176.870 -0.019 0.000 1.189 59 L CA -0.496 54.358 54.840 0.024 0.000 0.813 59 L CB 1.824 43.881 42.059 -0.003 0.000 1.118 59 L HN 0.478 8.898 8.230 0.315 0.000 0.471 60 K N 1.418 121.762 120.400 -0.092 0.000 2.385 60 K HA 0.358 4.664 4.320 -0.024 0.000 0.248 60 K C 0.013 176.582 176.600 -0.052 0.000 0.955 60 K CA -1.771 54.486 56.287 -0.049 0.000 0.816 60 K CB 2.497 34.971 32.500 -0.044 0.000 1.250 60 K HN 0.605 8.739 8.250 -0.194 0.000 0.434 61 E N 3.727 123.911 120.200 -0.028 0.000 2.565 61 E HA -0.194 4.146 4.350 -0.017 0.000 0.212 61 E C -1.270 175.316 176.600 -0.024 0.000 1.341 61 E CA 1.461 57.849 56.400 -0.020 0.000 1.236 61 E CB -1.033 28.661 29.700 -0.010 0.000 1.246 61 E HN 0.540 8.888 8.360 -0.020 0.000 0.446 62 D N -1.857 118.520 120.400 -0.039 0.000 3.060 62 D HA 0.004 4.631 4.640 -0.021 0.000 0.326 62 D C -0.899 175.375 176.300 -0.044 0.000 1.253 62 D CA -0.387 53.595 54.000 -0.030 0.000 0.737 62 D CB -0.335 40.452 40.800 -0.021 0.000 1.260 62 D HN -0.045 8.134 8.370 -0.057 0.156 0.542 63 K N -3.831 116.534 120.400 -0.058 0.000 3.903 63 K HA -0.437 3.821 4.320 -0.103 0.000 0.275 63 K C -1.588 174.960 176.600 -0.086 0.000 0.825 63 K CA 1.249 57.492 56.287 -0.073 0.000 0.684 63 K CB -3.073 29.413 32.500 -0.024 0.000 1.707 63 K HN 0.239 8.459 8.250 -0.049 0.000 0.435 64 S N -3.656 111.933 115.700 -0.185 0.000 2.550 64 S HA 0.295 4.783 4.470 0.030 0.000 0.270 64 S C -2.288 172.166 174.600 -0.242 0.000 1.145 64 S CA -0.482 57.656 58.200 -0.104 0.000 0.852 64 S CB 2.851 66.045 63.200 -0.010 0.000 1.119 64 S HN -0.845 7.317 8.310 -0.247 0.000 0.465 65 Y N 0.319 120.728 120.300 0.182 0.000 2.393 65 Y HA 0.459 5.254 4.550 0.133 -0.165 0.341 65 Y C -0.781 175.126 175.900 0.011 0.000 0.988 65 Y CA -1.458 56.729 58.100 0.146 0.000 1.078 65 Y CB 3.427 42.054 38.460 0.279 0.000 1.203 65 Y HN 1.215 9.590 8.280 0.344 0.111 0.453 66 N N 2.470 121.229 118.700 0.099 0.000 2.469 66 N HA 0.235 4.904 4.740 -0.118 0.000 0.253 66 N C -1.390 174.017 175.510 -0.172 0.000 0.970 66 N CA -0.410 52.596 53.050 -0.073 0.000 0.940 66 N CB 2.394 40.834 38.487 -0.079 0.000 1.128 66 N HN 0.912 9.267 8.380 0.143 0.111 0.503 67 V N 8.105 127.796 119.914 -0.371 0.000 2.407 67 V HA 0.608 4.629 4.120 -0.484 -0.192 0.278 67 V C -0.406 175.444 176.094 -0.407 0.000 1.037 67 V CA -1.681 60.299 62.300 -0.534 0.000 0.900 67 V CB 0.666 31.910 31.823 -0.964 0.000 0.983 67 V HN 1.207 9.019 8.190 -0.452 0.108 0.459 68 T N 11.255 125.611 114.554 -0.330 0.000 2.749 68 T HA 0.445 4.883 4.350 -0.142 -0.173 0.287 68 T C -0.772 173.843 174.700 -0.141 0.000 0.970 68 T CA 0.148 62.147 62.100 -0.168 0.000 0.980 68 T CB 1.173 69.993 68.868 -0.080 0.000 0.924 68 T HN 0.970 8.984 8.240 -0.376 0.000 0.456 69 S N 8.625 124.282 115.700 -0.072 0.000 2.429 69 S HA 0.522 5.103 4.470 -0.062 -0.148 0.302 69 S C -1.298 173.266 174.600 -0.059 0.000 1.115 69 S CA -0.087 58.073 58.200 -0.066 0.000 1.095 69 S CB 0.790 63.923 63.200 -0.112 0.000 0.987 69 S HN 1.181 9.364 8.310 -0.023 0.113 0.474 70 V N 6.958 126.826 119.914 -0.077 0.000 2.439 70 V HA 0.571 4.655 4.120 -0.406 -0.208 0.282 70 V C -0.644 175.364 176.094 -0.144 0.000 1.039 70 V CA -1.360 60.796 62.300 -0.239 0.000 0.913 70 V CB 0.382 32.051 31.823 -0.257 0.000 0.983 70 V HN 1.201 9.236 8.190 -0.022 0.141 0.460 71 L N 2.921 124.030 121.223 -0.190 0.000 2.301 71 L HA 0.476 4.838 4.340 0.037 0.000 0.264 71 L C -1.638 175.218 176.870 -0.023 0.000 1.016 71 L CA -1.448 53.355 54.840 -0.061 0.000 0.821 71 L CB 2.158 44.154 42.059 -0.105 0.000 1.346 71 L HN 0.122 8.171 8.230 -0.301 0.000 0.429 72 F N 0.502 120.398 119.950 -0.091 0.000 2.436 72 F HA 0.533 5.003 4.527 -0.096 0.000 0.340 72 F C -0.879 174.881 175.800 -0.067 0.000 1.113 72 F CA -1.454 56.499 58.000 -0.079 0.000 1.022 72 F CB 2.308 41.277 39.000 -0.052 0.000 1.128 72 F HN 0.027 8.461 8.300 0.222 0.000 0.466 73 R N 6.037 126.017 120.500 -0.867 0.000 2.893 73 R HA 0.346 4.496 4.340 -0.317 0.000 0.245 73 R C -0.003 175.684 176.300 -1.022 0.000 1.192 73 R CA -1.512 54.203 56.100 -0.640 0.000 1.077 73 R CB 2.101 32.175 30.300 -0.377 0.000 1.253 73 R HN 0.844 8.387 8.270 -1.038 0.104 0.505 74 K N 0.471 120.622 120.400 -0.415 0.000 2.103 74 K HA -0.238 4.093 4.320 0.018 0.000 0.207 74 K C 0.348 176.796 176.600 -0.254 0.000 1.048 74 K CA 2.597 58.767 56.287 -0.196 0.000 0.930 74 K CB 0.294 32.753 32.500 -0.068 0.000 0.716 74 K HN 0.351 8.449 8.250 -0.253 0.000 0.444 75 K N -3.603 116.618 120.400 -0.298 0.000 3.209 75 K HA 0.104 4.305 4.320 -0.199 0.000 0.202 75 K C -1.979 174.475 176.600 -0.245 0.000 1.109 75 K CA -0.519 55.635 56.287 -0.221 0.000 0.968 75 K CB 0.207 32.652 32.500 -0.090 0.000 0.732 75 K HN -0.406 7.650 8.250 -0.304 0.011 0.450 76 K N -1.262 118.901 120.400 -0.395 0.000 2.546 76 K HA 0.207 4.423 4.320 -0.173 0.000 0.264 76 K C -2.537 173.863 176.600 -0.333 0.000 0.937 76 K CA -0.812 55.315 56.287 -0.266 0.000 0.833 76 K CB 3.775 36.164 32.500 -0.185 0.000 1.378 76 K HN -0.895 6.844 8.250 -0.647 0.124 0.432 77 c N 2.246 120.720 118.600 -0.209 0.000 2.345 77 c HA 0.813 5.432 4.570 -0.261 -0.206 0.323 77 c C -1.122 172.775 174.090 -0.321 0.000 1.276 77 c CA -1.108 55.072 56.329 -0.248 0.000 1.543 77 c CB 0.352 42.753 42.510 -0.182 0.000 2.211 77 c HN 0.492 8.644 8.230 -0.131 0.000 0.493 78 D N 4.936 125.112 120.400 -0.373 0.000 2.449 78 D HA 0.301 4.877 4.640 -0.108 0.000 0.250 78 D C -1.557 174.407 176.300 -0.559 0.000 1.050 78 D CA -1.188 52.637 54.000 -0.291 0.000 1.024 78 D CB 4.011 44.753 40.800 -0.097 0.000 1.218 78 D HN -0.002 8.182 8.370 -0.310 0.000 0.566 79 Y N -2.139 118.172 120.300 0.019 0.000 2.462 79 Y HA 0.221 4.916 4.550 0.012 -0.138 0.346 79 Y C -0.337 175.625 175.900 0.103 0.000 0.976 79 Y CA -0.975 57.136 58.100 0.020 0.000 1.044 79 Y CB 3.099 41.538 38.460 -0.035 0.000 1.230 79 Y HN 0.200 8.637 8.280 0.262 0.000 0.455 80 W N 3.441 124.734 121.300 -0.011 0.000 3.127 80 W HA 0.325 4.962 4.660 -0.038 0.000 0.330 80 W C -2.781 173.677 176.519 -0.103 0.000 1.187 80 W CA -0.603 56.704 57.345 -0.062 0.000 1.198 80 W CB 4.664 34.060 29.460 -0.107 0.000 1.408 80 W HN 0.362 8.670 8.180 0.212 0.000 0.529 81 I N 1.222 121.547 120.570 -0.408 0.000 2.509 81 I HA 0.983 5.248 4.170 -0.209 -0.221 0.293 81 I C -1.348 174.554 176.117 -0.357 0.000 1.020 81 I CA -2.472 58.631 61.300 -0.327 0.000 1.088 81 I CB 1.920 39.710 38.000 -0.351 0.000 1.267 81 I HN -0.013 7.604 8.210 -0.989 0.000 0.430 82 R N 3.700 124.023 120.500 -0.296 0.000 2.803 82 R HA 0.347 4.549 4.340 -0.230 0.000 0.276 82 R C -1.411 174.588 176.300 -0.502 0.000 0.978 82 R CA -1.721 54.188 56.100 -0.318 0.000 0.939 82 R CB 4.318 34.471 30.300 -0.245 0.000 1.179 82 R HN 0.890 8.843 8.270 -0.347 0.109 0.472 83 T N 3.029 117.383 114.554 -0.334 0.000 2.907 83 T HA 0.689 5.043 4.350 -0.248 -0.153 0.284 83 T C -1.073 173.620 174.700 -0.012 0.000 1.004 83 T CA 0.156 62.130 62.100 -0.211 0.000 1.063 83 T CB 1.399 70.229 68.868 -0.063 0.000 0.992 83 T HN 0.239 8.352 8.240 -0.212 0.000 0.483 84 F N 3.936 123.997 119.950 0.186 0.000 2.551 84 F HA 0.878 5.722 4.527 0.207 -0.192 0.316 84 F C -1.918 174.144 175.800 0.437 0.000 1.089 84 F CA -3.447 54.723 58.000 0.282 0.000 0.915 84 F CB 4.192 43.352 39.000 0.268 0.000 1.186 84 F HN 1.055 9.370 8.300 0.246 0.133 0.456 85 V N 1.146 121.429 119.914 0.614 0.000 2.808 85 V HA 0.579 5.010 4.120 0.519 0.000 0.308 85 V C -2.766 173.595 176.094 0.446 0.000 1.099 85 V CA -4.352 58.236 62.300 0.481 0.000 0.920 85 V CB 4.656 36.629 31.823 0.250 0.000 1.014 85 V HN 0.826 9.342 8.190 0.544 0.000 0.425 86 P HA 0.258 4.351 4.420 -0.734 -0.113 0.268 86 P C 0.373 177.593 177.300 -0.133 0.000 1.204 86 P CA -0.438 62.549 63.100 -0.189 0.000 0.768 86 P CB 0.861 32.426 31.700 -0.226 0.000 0.842 87 G N 0.972 109.644 108.800 -0.214 0.000 2.733 87 G HA2 -0.192 3.755 3.960 -0.021 0.000 0.213 87 G HA3 -0.192 3.715 3.960 -0.088 0.000 0.213 87 G C -0.200 174.652 174.900 -0.081 0.000 1.351 87 G CA 1.624 46.672 45.100 -0.088 0.000 0.853 87 G HN 1.047 8.935 8.290 -0.395 0.164 0.590 88 C N -2.432 116.809 119.300 -0.099 0.000 2.964 88 C HA 0.110 4.540 4.460 -0.049 0.000 0.358 88 C C -0.977 173.960 174.990 -0.089 0.000 1.289 88 C CA 0.446 59.422 59.018 -0.070 0.000 1.856 88 C CB 0.859 28.569 27.740 -0.050 0.000 2.488 88 C HN 0.203 8.358 8.230 -0.124 0.000 0.604 89 Q N -1.483 118.232 119.800 -0.140 0.000 2.693 89 Q HA 0.495 4.779 4.340 -0.093 0.000 0.306 89 Q C -2.677 173.180 176.000 -0.239 0.000 0.969 89 Q CA -3.157 52.567 55.803 -0.133 0.000 0.757 89 Q CB 0.106 28.792 28.738 -0.087 0.000 1.494 89 Q HN -0.521 7.643 8.270 -0.176 0.000 0.459 90 P HA -0.011 4.249 4.420 -0.267 0.000 0.276 90 P C 0.080 177.312 177.300 -0.114 0.000 1.230 90 P CA 0.491 63.513 63.100 -0.130 0.000 0.776 90 P CB 0.060 31.794 31.700 0.057 0.000 0.888 91 G N 2.443 111.199 108.800 -0.073 0.000 2.278 91 G HA2 -0.244 3.877 3.960 0.269 0.000 0.210 91 G HA3 -0.244 3.732 3.960 0.027 0.000 0.210 91 G C -1.946 172.984 174.900 0.050 0.000 1.000 91 G CA -0.139 45.025 45.100 0.106 0.000 0.635 91 G HN 0.294 8.513 8.290 -0.119 0.000 0.495 92 E N 1.750 121.660 120.200 -0.483 0.000 2.234 92 E HA 0.762 5.281 4.350 0.066 -0.130 0.266 92 E C -1.976 174.180 176.600 -0.740 0.000 0.877 92 E CA -1.945 54.272 56.400 -0.304 0.000 0.758 92 E CB 2.709 32.298 29.700 -0.184 0.000 1.170 92 E HN -0.826 7.011 8.360 -0.744 0.076 0.415 93 F N 3.410 123.376 119.950 0.025 0.000 2.650 93 F HA 0.969 5.608 4.527 0.111 -0.046 0.320 93 F C -1.012 174.834 175.800 0.076 0.000 1.091 93 F CA -1.881 56.163 58.000 0.074 0.000 0.962 93 F CB 4.520 43.561 39.000 0.068 0.000 1.363 93 F HN 1.079 9.544 8.300 0.437 0.097 0.482 94 T N -0.075 114.662 114.554 0.304 0.000 2.887 94 T HA 0.735 5.399 4.350 0.260 -0.158 0.292 94 T C -1.951 172.895 174.700 0.242 0.000 1.087 94 T CA -2.808 59.436 62.100 0.240 0.000 1.009 94 T CB 2.769 71.740 68.868 0.173 0.000 1.203 94 T HN 1.020 9.352 8.240 0.354 0.120 0.518 95 L N 2.483 123.795 121.223 0.147 0.000 2.346 95 L HA 0.835 5.558 4.340 0.328 -0.187 0.274 95 L C -0.061 176.711 176.870 -0.163 0.000 1.007 95 L CA -1.559 53.293 54.840 0.020 0.000 0.818 95 L CB 2.881 44.622 42.059 -0.529 0.000 1.284 95 L HN -0.495 7.857 8.230 0.203 0.000 0.424 96 G N 5.803 114.505 108.800 -0.162 0.000 2.536 96 G HA2 -0.444 3.360 3.960 -0.260 0.000 0.280 96 G HA3 -0.444 3.104 3.960 -0.687 0.000 0.280 96 G C -1.283 173.362 174.900 -0.425 0.000 1.152 96 G CA 1.018 45.872 45.100 -0.410 0.000 0.970 96 G HN 0.013 8.283 8.290 -0.034 0.000 0.549 97 N N 1.617 119.809 118.700 -0.846 0.000 2.639 97 N HA 0.192 4.853 4.740 -0.131 0.000 0.265 97 N C -0.939 174.444 175.510 -0.211 0.000 1.689 97 N CA -0.393 52.468 53.050 -0.316 0.000 0.813 97 N CB 0.890 39.381 38.487 0.007 0.000 1.353 97 N HN -0.030 7.348 8.380 -1.670 0.000 0.510 98 I N 0.950 121.411 120.570 -0.182 0.000 2.623 98 I HA -0.453 3.762 4.170 0.076 0.000 0.261 98 I C -0.409 175.783 176.117 0.125 0.000 1.204 98 I CA 1.772 63.089 61.300 0.029 0.000 1.444 98 I CB 0.083 38.139 38.000 0.094 0.000 1.094 98 I HN -0.665 7.421 8.210 -0.205 0.000 0.451 99 K N -3.310 117.148 120.400 0.096 0.000 2.057 99 K HA -0.215 4.165 4.320 0.099 0.000 0.206 99 K C 0.763 177.450 176.600 0.145 0.000 1.050 99 K CA 2.127 58.478 56.287 0.107 0.000 0.935 99 K CB -0.364 32.184 32.500 0.080 0.000 0.715 99 K HN 0.142 8.370 8.250 0.057 0.057 0.439 100 S N -3.412 112.407 115.700 0.198 0.000 2.575 100 S HA 0.033 4.593 4.470 0.150 0.000 0.215 100 S C -0.306 174.477 174.600 0.306 0.000 0.966 100 S CA 0.515 58.849 58.200 0.223 0.000 0.911 100 S CB 0.795 64.129 63.200 0.223 0.000 0.780 100 S HN -0.261 8.057 8.310 0.189 0.105 0.514 101 Y N 3.113 123.455 120.300 0.070 0.000 2.320 101 Y HA 0.116 4.705 4.550 0.065 0.000 0.324 101 Y C -1.173 174.770 175.900 0.072 0.000 1.190 101 Y CA -2.226 55.919 58.100 0.075 0.000 1.215 101 Y CB 0.048 38.567 38.460 0.099 0.000 1.221 101 Y HN -0.547 7.809 8.280 0.436 0.185 0.486 102 P HA 0.028 4.482 4.420 0.058 0.000 0.207 102 P C 0.375 177.736 177.300 0.101 0.000 1.212 102 P CA 0.692 63.823 63.100 0.050 0.000 0.914 102 P CB 0.665 32.352 31.700 -0.021 0.000 0.750 103 G N -2.268 106.592 108.800 0.099 0.000 3.088 103 G HA2 0.010 4.033 3.960 0.104 0.000 0.212 103 G HA3 0.010 4.028 3.960 0.097 0.000 0.212 103 G C -1.353 173.664 174.900 0.195 0.000 1.173 103 G CA -0.287 44.885 45.100 0.121 0.000 0.779 103 G HN -0.010 8.313 8.290 0.054 0.000 0.540 104 L N -1.784 119.608 121.223 0.282 0.000 2.272 104 L HA 0.161 4.694 4.340 0.322 0.000 0.289 104 L C -0.912 176.114 176.870 0.260 0.000 1.032 104 L CA -0.234 54.810 54.840 0.340 0.000 0.810 104 L CB 1.726 44.092 42.059 0.512 0.000 1.205 104 L HN -0.509 7.815 8.230 0.292 0.081 0.422 105 T N 6.641 121.318 114.554 0.204 0.000 3.045 105 T HA 0.202 4.637 4.350 0.142 0.000 0.239 105 T C -0.031 174.739 174.700 0.117 0.000 1.008 105 T CA 1.711 63.897 62.100 0.142 0.000 1.143 105 T CB 1.540 70.475 68.868 0.112 0.000 0.894 105 T HN 0.907 9.177 8.240 0.211 0.096 0.451 106 S N -1.266 114.489 115.700 0.093 0.000 2.614 106 S HA 0.228 4.760 4.470 0.102 0.000 0.259 106 S C -2.532 172.087 174.600 0.031 0.000 1.118 106 S CA 0.367 58.608 58.200 0.068 0.000 1.065 106 S CB 1.943 65.159 63.200 0.027 0.000 1.121 106 S HN -0.440 7.916 8.310 0.077 0.000 0.458 107 Y N 8.025 128.347 120.300 0.036 0.000 2.388 107 Y HA 0.232 4.904 4.550 0.016 -0.112 0.328 107 Y C -2.227 173.715 175.900 0.069 0.000 0.963 107 Y CA -0.479 57.647 58.100 0.044 0.000 1.240 107 Y CB 1.741 40.238 38.460 0.062 0.000 1.118 107 Y HN 0.440 8.865 8.280 0.242 0.000 0.484 108 L N 6.401 127.752 121.223 0.214 0.000 2.346 108 L HA 0.812 5.436 4.340 0.218 -0.153 0.276 108 L C -2.652 174.349 176.870 0.219 0.000 1.006 108 L CA -2.082 52.881 54.840 0.205 0.000 0.817 108 L CB 4.198 46.339 42.059 0.137 0.000 1.272 108 L HN 0.906 9.175 8.230 0.064 0.000 0.421 109 V N 5.021 125.052 119.914 0.196 0.000 2.604 109 V HA 0.414 4.507 4.120 -0.045 0.000 0.305 109 V C -1.948 174.219 176.094 0.122 0.000 1.043 109 V CA -1.556 60.761 62.300 0.027 0.000 0.888 109 V CB 2.761 34.478 31.823 -0.176 0.000 0.995 109 V HN 1.291 9.493 8.190 0.228 0.125 0.429 110 R N 6.659 127.184 120.500 0.041 0.000 2.631 110 R HA 0.385 5.010 4.340 0.240 -0.141 0.289 110 R C -1.825 174.469 176.300 -0.010 0.000 1.303 110 R CA -0.904 55.264 56.100 0.114 0.000 0.989 110 R CB 3.263 33.653 30.300 0.149 0.000 1.208 110 R HN -0.207 8.026 8.270 -0.061 0.000 0.461 111 V N 6.432 126.276 119.914 -0.117 0.000 2.763 111 V HA -0.273 3.826 4.120 -0.148 -0.068 0.306 111 V C -0.206 175.848 176.094 -0.067 0.000 1.059 111 V CA 1.628 63.847 62.300 -0.135 0.000 1.138 111 V CB 0.768 32.471 31.823 -0.201 0.000 0.940 111 V HN 0.492 8.594 8.190 -0.147 0.000 0.489 112 V N 8.664 128.540 119.914 -0.063 0.000 2.278 112 V HA 0.088 4.320 4.120 -0.053 -0.144 0.238 112 V C 0.012 176.060 176.094 -0.077 0.000 1.039 112 V CA 1.660 63.925 62.300 -0.059 0.000 1.017 112 V CB 1.020 32.815 31.823 -0.047 0.000 0.657 112 V HN 0.441 8.481 8.190 -0.070 0.108 0.462 113 S N -3.910 111.721 115.700 -0.115 0.000 2.614 113 S HA 0.351 5.007 4.470 -0.094 -0.242 0.275 113 S C -1.447 173.013 174.600 -0.234 0.000 1.161 113 S CA -1.537 56.581 58.200 -0.136 0.000 0.969 113 S CB 1.862 64.987 63.200 -0.126 0.000 1.059 113 S HN -0.562 7.668 8.310 -0.133 0.000 0.482 114 T N 3.546 117.957 114.554 -0.238 0.000 2.902 114 T HA 0.237 4.324 4.350 -0.437 0.000 0.283 114 T C -0.582 173.800 174.700 -0.529 0.000 1.009 114 T CA -1.616 60.262 62.100 -0.371 0.000 1.051 114 T CB 1.285 69.999 68.868 -0.256 0.000 0.999 114 T HN 0.609 9.089 8.240 -0.152 -0.332 0.474 115 N N 4.261 122.529 118.700 -0.719 0.000 2.723 115 N HA 0.255 4.466 4.740 -0.881 0.000 0.290 115 N C -0.332 174.737 175.510 -0.735 0.000 1.882 115 N CA -1.417 51.143 53.050 -0.817 0.000 0.851 115 N CB 0.258 38.218 38.487 -0.878 0.000 1.234 115 N HN 0.452 8.318 8.380 -0.702 0.093 0.491 116 Y N -1.153 118.952 120.300 -0.326 0.000 2.617 116 Y HA -0.390 3.851 4.550 -0.515 0.000 0.284 116 Y C -0.536 175.238 175.900 -0.211 0.000 1.162 116 Y CA 0.194 58.076 58.100 -0.363 0.000 1.399 116 Y CB -1.732 36.525 38.460 -0.338 0.000 0.962 116 Y HN 0.055 7.730 8.280 -1.009 0.000 0.576 117 N N -3.994 114.694 118.700 -0.019 0.000 2.353 117 N HA -0.186 4.627 4.740 0.122 0.000 0.185 117 N C 0.320 175.808 175.510 -0.037 0.000 1.098 117 N CA 0.448 53.530 53.050 0.052 0.000 0.872 117 N CB 0.975 39.499 38.487 0.061 0.000 0.970 117 N HN -0.283 7.743 8.380 -0.426 0.098 0.467 118 Q N -2.362 117.373 119.800 -0.107 0.000 2.170 118 Q HA 0.133 4.470 4.340 -0.004 0.000 0.165 118 Q C -2.151 173.848 176.000 -0.002 0.000 0.599 118 Q CA 0.830 56.620 55.803 -0.022 0.000 0.844 118 Q CB 3.899 32.670 28.738 0.055 0.000 1.139 118 Q HN 0.313 8.252 8.270 -0.217 0.201 0.388 119 H N -5.770 113.186 119.070 -0.190 0.000 3.017 119 H HA 0.824 5.461 4.556 -0.159 -0.176 0.346 119 H C -2.494 172.642 175.328 -0.320 0.000 1.286 119 H CA -2.224 53.694 56.048 -0.217 0.000 1.120 119 H CB 3.527 33.166 29.762 -0.205 0.000 1.860 119 H HN -0.385 7.656 8.280 -0.398 0.000 0.542 120 A N -2.008 120.523 122.820 -0.481 0.000 2.556 120 A HA 0.588 4.708 4.320 -0.593 -0.155 0.294 120 A C -2.587 174.597 177.584 -0.667 0.000 1.091 120 A CA -1.293 50.371 52.037 -0.621 0.000 0.704 120 A CB 3.995 22.659 19.000 -0.561 0.000 1.300 120 A HN 0.167 8.075 8.150 -0.403 0.000 0.406 121 M N -0.472 118.883 119.600 -0.409 0.000 2.383 121 M HA 0.740 5.227 4.480 -0.291 -0.182 0.325 121 M C -1.357 174.833 176.300 -0.183 0.000 1.092 121 M CA -0.624 54.526 55.300 -0.251 0.000 0.961 121 M CB 4.017 36.568 32.600 -0.082 0.000 1.672 121 M HN 0.089 8.179 8.290 -0.333 0.000 0.438 122 V N 1.961 121.818 119.914 -0.096 0.000 2.513 122 V HA 0.182 4.229 4.120 -0.122 0.000 0.299 122 V C -2.727 173.394 176.094 0.045 0.000 1.035 122 V CA -1.218 61.040 62.300 -0.070 0.000 0.889 122 V CB 3.558 35.367 31.823 -0.024 0.000 0.988 122 V HN 1.024 9.065 8.190 -0.063 0.111 0.440 123 F N 8.659 128.513 119.950 -0.160 0.000 2.332 123 F HA 0.257 4.820 4.527 0.060 0.000 0.368 123 F C -2.532 173.216 175.800 -0.087 0.000 1.110 123 F CA -1.775 56.192 58.000 -0.054 0.000 1.087 123 F CB 1.402 40.362 39.000 -0.067 0.000 1.235 123 F HN -0.224 8.077 8.300 0.001 0.000 0.470 124 F N 9.363 129.079 119.950 -0.390 0.000 2.405 124 F HA 0.259 4.699 4.527 -0.145 0.000 0.355 124 F C -1.782 173.721 175.800 -0.495 0.000 1.121 124 F CA -1.372 56.466 58.000 -0.270 0.000 1.112 124 F CB 2.123 41.113 39.000 -0.016 0.000 1.126 124 F HN 1.285 9.421 8.300 -0.090 0.110 0.481 125 K N 6.148 126.441 120.400 -0.178 0.000 2.443 125 K HA 0.424 4.596 4.320 -0.247 0.000 0.252 125 K C -2.329 174.053 176.600 -0.363 0.000 0.933 125 K CA -1.024 55.108 56.287 -0.258 0.000 0.792 125 K CB 3.322 35.738 32.500 -0.140 0.000 1.185 125 K HN 0.481 8.737 8.250 0.010 0.000 0.425 126 K N 3.842 123.829 120.400 -0.689 0.000 2.575 126 K HA 1.089 5.244 4.320 -0.620 -0.208 0.279 126 K C -2.814 173.221 176.600 -0.942 0.000 0.969 126 K CA -1.946 53.759 56.287 -0.971 0.000 0.868 126 K CB 3.877 35.174 32.500 -2.005 0.000 1.457 126 K HN 0.332 8.154 8.250 -0.714 0.000 0.426 127 V N -0.059 119.577 119.914 -0.463 0.000 2.789 127 V HA 0.794 5.000 4.120 -0.142 -0.171 0.311 127 V C -0.820 175.354 176.094 0.134 0.000 1.073 127 V CA -2.578 59.644 62.300 -0.130 0.000 0.921 127 V CB 3.735 35.533 31.823 -0.041 0.000 1.009 127 V HN 0.593 8.468 8.190 -0.333 0.116 0.426 128 S N 2.670 118.558 115.700 0.313 0.000 2.713 128 S HA 0.485 5.188 4.470 0.252 -0.082 0.283 128 S C 1.522 176.218 174.600 0.161 0.000 1.161 128 S CA -1.595 56.752 58.200 0.246 0.000 0.999 128 S CB 1.680 65.019 63.200 0.231 0.000 1.039 128 S HN 0.341 8.776 8.310 0.400 0.115 0.548 129 Q N 3.904 123.786 119.800 0.137 0.000 2.191 129 Q HA -0.450 3.952 4.340 0.103 0.000 0.219 129 Q C -0.451 175.602 176.000 0.088 0.000 1.044 129 Q CA 3.389 59.253 55.803 0.102 0.000 0.933 129 Q CB 0.196 28.984 28.738 0.083 0.000 1.049 129 Q HN 0.837 9.073 8.270 0.150 0.123 0.424 130 N N -6.833 111.920 118.700 0.087 0.000 2.545 130 N HA 0.069 4.854 4.740 0.076 0.000 0.283 130 N C -1.593 173.971 175.510 0.090 0.000 1.596 130 N CA -0.587 52.510 53.050 0.077 0.000 0.862 130 N CB 0.223 38.745 38.487 0.058 0.000 1.422 130 N HN -0.076 8.349 8.380 0.092 0.010 0.489 131 R N -0.302 120.277 120.500 0.131 0.000 2.621 131 R HA 0.232 4.646 4.340 0.123 0.000 0.292 131 R C -1.803 174.661 176.300 0.273 0.000 0.969 131 R CA -0.938 55.264 56.100 0.171 0.000 0.887 131 R CB 3.411 33.791 30.300 0.134 0.000 1.180 131 R HN 0.105 8.332 8.270 0.150 0.132 0.450 132 E N 4.808 125.157 120.200 0.248 0.000 2.182 132 E HA 0.296 4.682 4.350 0.059 0.000 0.258 132 E C -1.662 175.081 176.600 0.238 0.000 0.879 132 E CA -0.880 55.624 56.400 0.173 0.000 0.754 132 E CB 2.022 31.788 29.700 0.110 0.000 1.162 132 E HN 0.358 8.833 8.360 0.191 0.000 0.419 133 Y N 2.226 122.514 120.300 -0.019 0.000 2.562 133 Y HA 0.529 5.097 4.550 -0.167 -0.118 0.345 133 Y C -2.591 173.279 175.900 -0.051 0.000 1.045 133 Y CA -2.784 55.255 58.100 -0.103 0.000 1.028 133 Y CB 1.791 40.177 38.460 -0.123 0.000 1.297 133 Y HN 0.174 8.095 8.280 -0.598 0.000 0.463 134 F N -4.268 115.660 119.950 -0.036 0.000 2.613 134 F HA 0.875 5.318 4.527 -0.285 -0.087 0.310 134 F C -2.483 173.296 175.800 -0.036 0.000 1.085 134 F CA -2.119 55.779 58.000 -0.169 0.000 0.945 134 F CB 4.055 42.914 39.000 -0.235 0.000 1.298 134 F HN 0.922 9.244 8.300 -0.723 -0.456 0.455 135 K N 0.920 121.457 120.400 0.228 0.000 2.464 135 K HA 0.603 5.198 4.320 0.219 -0.144 0.253 135 K C -2.239 174.544 176.600 0.304 0.000 0.933 135 K CA -1.341 55.100 56.287 0.257 0.000 0.801 135 K CB 4.774 37.409 32.500 0.225 0.000 1.271 135 K HN 0.969 9.187 8.250 0.153 0.124 0.430 136 I N 5.738 126.508 120.570 0.333 0.000 2.436 136 I HA 0.956 5.533 4.170 0.275 -0.242 0.289 136 I C -1.129 175.204 176.117 0.359 0.000 1.010 136 I CA -1.441 60.053 61.300 0.323 0.000 1.098 136 I CB 3.274 41.477 38.000 0.338 0.000 1.266 136 I HN 1.195 9.478 8.210 0.332 0.126 0.434 137 T N 7.178 121.927 114.554 0.325 0.000 2.916 137 T HA 0.460 5.120 4.350 0.307 -0.126 0.292 137 T C -2.033 172.708 174.700 0.068 0.000 1.055 137 T CA -1.466 60.799 62.100 0.275 0.000 1.009 137 T CB 2.666 71.756 68.868 0.369 0.000 1.118 137 T HN 0.347 8.758 8.240 0.285 0.000 0.497 138 L N 3.212 124.343 121.223 -0.154 0.000 2.385 138 L HA 1.068 5.341 4.340 -0.485 -0.224 0.273 138 L C -2.434 174.264 176.870 -0.286 0.000 0.990 138 L CA -1.430 53.155 54.840 -0.425 0.000 0.821 138 L CB 3.615 45.168 42.059 -0.843 0.000 1.279 138 L HN -0.179 7.967 8.230 -0.140 0.000 0.412 139 Y N 1.994 122.277 120.300 -0.028 0.000 2.698 139 Y HA 0.993 5.732 4.550 0.031 -0.170 0.332 139 Y C -1.717 174.210 175.900 0.045 0.000 1.119 139 Y CA -3.795 54.341 58.100 0.060 0.000 1.109 139 Y CB 2.375 40.974 38.460 0.231 0.000 1.308 139 Y HN 0.289 7.947 8.280 -1.035 0.000 0.499 140 G N -1.846 107.235 108.800 0.468 0.000 2.660 140 G HA2 0.387 4.575 3.960 0.156 0.000 0.305 140 G HA3 0.387 4.439 3.960 0.153 0.000 0.305 140 G C -0.784 174.261 174.900 0.242 0.000 1.329 140 G CA -1.406 43.840 45.100 0.243 0.000 1.000 140 G HN 0.709 9.241 8.290 0.534 0.078 0.514 141 R N 5.402 125.961 120.500 0.098 0.000 2.323 141 R HA -0.052 4.817 4.340 0.593 -0.174 0.198 141 R C -0.844 175.506 176.300 0.082 0.000 0.988 141 R CA 0.853 57.029 56.100 0.127 0.000 1.041 141 R CB 0.150 30.124 30.300 -0.544 0.000 0.926 141 R HN 0.314 8.576 8.270 -0.013 0.000 0.476 142 T N -2.187 112.358 114.554 -0.015 0.000 2.938 142 T HA 0.195 4.536 4.350 -0.015 0.000 0.285 142 T C 0.092 174.677 174.700 -0.191 0.000 1.028 142 T CA -1.966 60.100 62.100 -0.056 0.000 1.005 142 T CB 2.700 71.547 68.868 -0.036 0.000 1.157 142 T HN -0.632 7.505 8.240 -0.019 0.092 0.550 143 K N -1.607 118.697 120.400 -0.160 0.000 2.211 143 K HA -0.148 3.944 4.320 -0.379 0.000 0.203 143 K C -0.166 176.313 176.600 -0.201 0.000 1.050 143 K CA 1.656 57.807 56.287 -0.228 0.000 0.945 143 K CB -0.193 32.248 32.500 -0.099 0.000 0.732 143 K HN 0.307 8.505 8.250 -0.086 0.000 0.451 144 E N -3.153 116.975 120.200 -0.119 0.000 2.383 144 E HA 0.103 4.408 4.350 -0.074 0.000 0.275 144 E C -2.662 173.911 176.600 -0.044 0.000 0.918 144 E CA -1.618 54.740 56.400 -0.070 0.000 0.764 144 E CB 2.578 32.256 29.700 -0.037 0.000 1.252 144 E HN -0.688 7.590 8.360 -0.095 0.025 0.449 145 L N -0.924 120.285 121.223 -0.024 0.000 2.818 145 L HA 0.305 4.640 4.340 -0.008 0.000 0.230 145 L C -1.110 175.752 176.870 -0.013 0.000 2.013 145 L CA -1.073 53.760 54.840 -0.012 0.000 2.420 145 L CB 2.283 44.337 42.059 -0.008 0.000 2.612 145 L HN 0.157 8.377 8.230 -0.018 0.000 0.595 146 T N -4.536 110.005 114.554 -0.022 0.000 2.885 146 T HA 0.247 4.589 4.350 -0.014 0.000 0.285 146 T C 0.693 175.379 174.700 -0.024 0.000 1.019 146 T CA -1.311 60.775 62.100 -0.023 0.000 1.010 146 T CB 2.460 71.309 68.868 -0.032 0.000 1.022 146 T HN -0.139 8.081 8.240 -0.034 0.000 0.466 147 S N 3.520 119.212 115.700 -0.013 0.000 2.474 147 S HA -0.268 4.204 4.470 0.003 0.000 0.235 147 S C 1.913 176.499 174.600 -0.022 0.000 0.997 147 S CA 2.668 60.864 58.200 -0.007 0.000 0.949 147 S CB -0.170 63.032 63.200 0.003 0.000 0.766 147 S HN 0.474 8.779 8.310 -0.010 0.000 0.517 148 E N 2.179 122.359 120.200 -0.032 0.000 2.208 148 E HA -0.159 4.168 4.350 -0.038 0.000 0.193 148 E C 1.421 177.976 176.600 -0.075 0.000 0.988 148 E CA 2.125 58.498 56.400 -0.045 0.000 0.828 148 E CB -0.337 29.341 29.700 -0.038 0.000 0.763 148 E HN 0.254 8.552 8.360 -0.029 0.045 0.478 149 L N -2.289 118.880 121.223 -0.091 0.000 2.263 149 L HA -0.287 3.949 4.340 -0.173 0.000 0.216 149 L C 1.371 178.154 176.870 -0.146 0.000 1.111 149 L CA 3.138 57.893 54.840 -0.141 0.000 0.773 149 L CB -0.573 41.398 42.059 -0.147 0.000 0.906 149 L HN -0.409 7.623 8.230 -0.073 0.154 0.439 150 K N -0.619 119.692 120.400 -0.149 0.000 1.984 150 K HA -0.356 3.686 4.320 -0.463 0.000 0.209 150 K C 2.337 178.705 176.600 -0.386 0.000 1.046 150 K CA 4.000 60.094 56.287 -0.321 0.000 0.934 150 K CB -0.253 32.166 32.500 -0.136 0.000 0.717 150 K HN -0.773 7.378 8.250 -0.096 0.041 0.438 151 E N -1.272 118.805 120.200 -0.205 0.000 2.077 151 E HA -0.373 3.872 4.350 -0.175 0.000 0.193 151 E C 2.281 178.816 176.600 -0.108 0.000 0.989 151 E CA 2.876 59.188 56.400 -0.148 0.000 0.800 151 E CB -0.289 29.366 29.700 -0.074 0.000 0.746 151 E HN -0.104 8.174 8.360 -0.136 0.000 0.452 152 N N -0.281 118.373 118.700 -0.076 0.000 2.120 152 N HA -0.286 4.461 4.740 0.012 0.000 0.188 152 N C 1.694 177.218 175.510 0.023 0.000 1.024 152 N CA 3.391 56.432 53.050 -0.016 0.000 0.852 152 N CB 0.087 38.547 38.487 -0.044 0.000 1.003 152 N HN 0.212 8.530 8.380 -0.089 0.009 0.424 153 F N 0.867 120.696 119.950 -0.202 0.000 2.186 153 F HA -0.267 4.168 4.527 -0.152 0.000 0.299 153 F C 1.530 177.271 175.800 -0.099 0.000 1.090 153 F CA 3.081 60.976 58.000 -0.175 0.000 1.307 153 F CB 0.222 39.074 39.000 -0.246 0.000 1.019 153 F HN -0.459 7.851 8.300 0.016 0.000 0.489 154 I N -1.571 118.881 120.570 -0.197 0.000 2.233 154 I HA -0.596 3.437 4.170 -0.228 0.000 0.243 154 I C 1.897 177.938 176.117 -0.127 0.000 1.093 154 I CA 3.749 64.934 61.300 -0.191 0.000 1.380 154 I CB -0.661 37.251 38.000 -0.145 0.000 1.067 154 I HN -0.669 7.437 8.210 -0.173 0.000 0.413 155 R N -0.479 119.974 120.500 -0.078 0.000 2.081 155 R HA -0.335 3.967 4.340 -0.063 0.000 0.235 155 R C 1.981 178.252 176.300 -0.049 0.000 1.131 155 R CA 3.548 59.615 56.100 -0.055 0.000 0.960 155 R CB -0.677 29.599 30.300 -0.040 0.000 0.856 155 R HN 0.398 8.621 8.270 -0.079 0.000 0.436 156 F N 0.872 120.729 119.950 -0.154 0.000 2.051 156 F HA -0.298 4.166 4.527 -0.105 0.000 0.296 156 F C 1.609 177.305 175.800 -0.172 0.000 1.122 156 F CA 3.784 61.698 58.000 -0.144 0.000 1.201 156 F CB 0.210 39.124 39.000 -0.142 0.000 0.978 156 F HN -0.081 8.296 8.300 0.129 0.000 0.472 157 S N -0.560 115.156 115.700 0.026 0.000 2.382 157 S HA -0.471 4.002 4.470 0.005 0.000 0.228 157 S C 1.870 176.430 174.600 -0.066 0.000 1.027 157 S CA 3.516 61.666 58.200 -0.082 0.000 0.991 157 S CB -0.197 62.801 63.200 -0.337 0.000 0.823 157 S HN -0.430 7.828 8.310 -0.086 0.000 0.469 158 K N 2.207 122.558 120.400 -0.081 0.000 2.026 158 K HA -0.318 3.977 4.320 -0.042 0.000 0.208 158 K C 2.719 179.279 176.600 -0.067 0.000 1.048 158 K CA 3.056 59.308 56.287 -0.059 0.000 0.929 158 K CB -0.008 32.459 32.500 -0.055 0.000 0.713 158 K HN 0.351 8.425 8.250 -0.099 0.117 0.439 159 S N -0.409 115.230 115.700 -0.102 0.000 2.368 159 S HA -0.283 4.127 4.470 -0.101 0.000 0.225 159 S C 1.715 176.249 174.600 -0.111 0.000 1.030 159 S CA 3.543 61.667 58.200 -0.127 0.000 0.999 159 S CB 0.066 63.140 63.200 -0.210 0.000 0.844 159 S HN -0.018 8.117 8.310 -0.114 0.107 0.459 160 L N -2.522 118.638 121.223 -0.104 0.000 2.145 160 L HA 0.019 4.312 4.340 -0.078 0.000 0.201 160 L C 1.771 178.624 176.870 -0.028 0.000 1.075 160 L CA 1.864 56.665 54.840 -0.065 0.000 0.773 160 L CB 0.710 42.748 42.059 -0.035 0.000 0.936 160 L HN -0.608 7.547 8.230 -0.109 0.009 0.451 161 G N -5.104 103.689 108.800 -0.013 0.000 3.126 161 G HA2 0.210 4.182 3.960 0.021 0.000 0.224 161 G HA3 0.210 4.176 3.960 0.032 0.013 0.224 161 G C -0.832 174.072 174.900 0.007 0.000 1.142 161 G CA -0.414 44.695 45.100 0.014 0.000 0.759 161 G HN 0.389 8.544 8.290 -0.019 0.124 0.550 162 L N -1.266 119.949 121.223 -0.014 0.000 6.991 162 L HA -0.371 4.071 4.340 -0.022 -0.115 0.084 162 L C -1.252 175.618 176.870 -0.000 0.000 1.353 162 L CA 0.665 55.498 54.840 -0.013 0.000 1.687 162 L CB -2.885 39.168 42.059 -0.010 0.000 2.662 162 L HN -0.122 7.948 8.230 -0.028 0.143 1.067 163 P HA 0.237 4.665 4.420 0.013 0.000 0.218 163 P C -1.030 176.266 177.300 -0.007 0.000 1.826 163 P CA -0.741 62.361 63.100 0.004 0.000 0.946 163 P CB -0.323 31.380 31.700 0.005 0.000 1.728 164 E N 0.136 120.338 120.200 0.003 0.000 2.031 164 E HA -0.322 4.026 4.350 -0.003 0.000 0.193 164 E C -0.125 176.443 176.600 -0.053 0.000 0.994 164 E CA 2.318 58.718 56.400 -0.001 0.000 0.800 164 E CB 0.075 29.801 29.700 0.044 0.000 0.752 164 E HN -0.135 8.147 8.360 0.017 0.088 0.447 165 N N -4.638 114.014 118.700 -0.081 0.000 3.249 165 N HA 0.035 4.552 4.740 -0.371 0.000 0.254 165 N C -0.664 174.644 175.510 -0.337 0.000 1.527 165 N CA -0.336 52.544 53.050 -0.283 0.000 0.919 165 N CB 1.357 39.726 38.487 -0.197 0.000 3.007 165 N HN -0.507 7.861 8.380 -0.020 0.000 0.380 166 H N 0.524 119.610 119.070 0.027 0.000 2.557 166 H HA 0.303 4.881 4.556 0.037 0.000 0.236 166 H C -1.278 174.091 175.328 0.069 0.000 1.676 166 H CA -1.181 54.888 56.048 0.035 0.000 1.197 166 H CB -1.703 28.064 29.762 0.008 0.000 1.604 166 H HN -0.143 8.006 8.280 -0.218 0.000 0.509 167 I N 3.022 123.678 120.570 0.142 0.000 2.316 167 I HA -0.052 4.231 4.170 0.188 0.000 0.286 167 I C -1.875 174.339 176.117 0.161 0.000 1.107 167 I CA 0.014 61.405 61.300 0.152 0.000 1.219 167 I CB -1.112 36.954 38.000 0.109 0.000 1.455 167 I HN -0.705 7.482 8.210 0.084 0.073 0.498 168 V N 5.200 125.250 119.914 0.228 0.000 3.165 168 V HA 0.330 4.628 4.120 0.296 0.000 0.309 168 V C -2.257 174.110 176.094 0.455 0.000 1.267 168 V CA -2.443 60.036 62.300 0.299 0.000 1.067 168 V CB 4.646 36.597 31.823 0.214 0.000 1.082 168 V HN -0.163 8.168 8.190 0.234 0.000 0.451 169 F N -1.033 119.058 119.950 0.235 0.000 2.449 169 F HA 0.589 5.326 4.527 0.214 -0.081 0.344 169 F C -2.050 173.811 175.800 0.102 0.000 1.180 169 F CA -4.204 53.926 58.000 0.217 0.000 1.209 169 F CB -0.175 39.015 39.000 0.316 0.000 1.440 169 F HN 0.014 8.788 8.300 0.789 0.000 0.526 170 P HA 0.040 4.174 4.420 -0.476 0.000 0.249 170 P C -2.085 175.050 177.300 -0.275 0.000 1.593 170 P CA -0.479 62.430 63.100 -0.318 0.000 0.896 170 P CB -0.227 31.397 31.700 -0.127 0.000 1.581 171 V N 0.420 120.153 119.914 -0.300 0.000 2.311 171 V HA 0.302 4.334 4.120 -0.147 0.000 0.275 171 V C -0.868 175.139 176.094 -0.146 0.000 1.022 171 V CA -4.317 57.885 62.300 -0.164 0.000 0.830 171 V CB 0.777 32.549 31.823 -0.086 0.000 1.012 171 V HN -0.236 7.571 8.190 -0.401 0.142 0.452 172 P HA 0.193 4.563 4.420 -0.083 0.000 0.312 172 P C -0.911 176.363 177.300 -0.044 0.000 1.307 172 P CA -0.797 62.248 63.100 -0.092 0.000 0.738 172 P CB 1.052 32.686 31.700 -0.109 0.000 1.422 173 I N -2.872 117.680 120.570 -0.029 0.000 4.169 173 I HA -0.118 4.079 4.170 0.045 0.000 0.230 173 I C 0.187 176.288 176.117 -0.027 0.000 1.009 173 I CA 0.843 62.148 61.300 0.009 0.000 1.554 173 I CB 0.853 38.868 38.000 0.025 0.000 1.437 173 I HN -0.306 7.880 8.210 -0.040 0.000 0.458 174 D N -0.558 119.811 120.400 -0.052 0.000 2.708 174 D HA -0.296 4.276 4.640 -0.114 0.000 0.236 174 D C -0.851 175.403 176.300 -0.076 0.000 1.146 174 D CA 0.895 54.819 54.000 -0.126 0.000 0.662 174 D CB -1.188 39.455 40.800 -0.262 0.000 1.059 174 D HN -0.015 8.333 8.370 -0.036 0.000 0.428 175 Q N -4.815 115.010 119.800 0.042 0.000 2.349 175 Q HA -0.124 4.226 4.340 0.018 0.000 0.287 175 Q C 0.814 176.873 176.000 0.097 0.000 1.044 175 Q CA 0.470 56.343 55.803 0.117 0.000 0.918 175 Q CB 0.012 28.953 28.738 0.337 0.000 1.242 175 Q HN -0.228 8.081 8.270 0.069 0.002 0.405 176 c N 2.805 121.443 118.600 0.064 0.000 2.500 176 c HA -0.043 4.673 4.570 0.242 0.000 0.273 176 c C 1.897 176.069 174.090 0.137 0.000 1.428 176 c CA 1.105 57.517 56.329 0.138 0.000 1.766 176 c CB -1.757 40.797 42.510 0.073 0.000 1.817 176 c HN 0.847 9.043 8.230 -0.058 0.000 0.543 177 I N -3.938 116.726 120.570 0.156 0.000 3.111 177 I HA -0.125 4.122 4.170 0.129 0.000 0.272 177 I C -0.308 175.881 176.117 0.120 0.000 1.268 177 I CA 1.883 63.271 61.300 0.147 0.000 1.467 177 I CB -0.611 37.500 38.000 0.186 0.000 1.087 177 I HN -0.083 8.184 8.210 0.189 0.057 0.467 178 D N 1.181 121.655 120.400 0.123 0.000 2.339 178 D HA 0.121 4.812 4.640 0.086 0.000 0.217 178 D C 0.161 176.524 176.300 0.106 0.000 1.050 178 D CA 0.215 54.275 54.000 0.100 0.000 0.856 178 D CB 0.228 41.082 40.800 0.090 0.000 0.922 178 D HN -0.431 7.964 8.370 0.137 0.056 0.518 179 G N 0.000 108.878 108.800 0.130 0.000 5.446 179 G HA2 0.000 nan 3.960 nan 0.000 0.244 179 G HA3 0.000 4.082 3.960 0.203 0.000 0.244 179 G CA 0.000 45.181 45.100 0.134 0.000 0.502 179 G HN 0.000 8.191 8.290 0.137 0.181 0.925