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 2ysz_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGPTP KTELVQKFRV QYLGMLPVDR PVGMDTLNSA IENLMTSSSK DATA SEQUENCE EDWPSVNMNV ADATVTVISE KNEEEVLVEC RVRFLSFMGV GKDVHTFAFI DATA SEQUENCE MDTGNQRFEC HVFWCEPNAA NVSEAVQAAC SGPSSGIEGR GSSGSSGSSG DATA SEQUENCE SSGDAAVTPE ERHLSKMQQN GYENPTYKFF EQMQN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1 G C 0.000 174.901 174.900 0.002 0.000 0.946 1 G CA 0.000 45.101 45.100 0.002 0.000 0.502 2 S N 1.556 117.258 115.700 0.002 0.000 2.563 2 S HA 0.172 4.643 4.470 0.002 0.000 0.279 2 S C 0.048 174.650 174.600 0.003 0.000 1.155 2 S CA -0.407 57.795 58.200 0.002 0.000 0.928 2 S CB 1.315 64.517 63.200 0.002 0.000 1.107 2 S HN 0.049 8.360 8.310 0.003 0.000 0.462 3 S N 4.155 119.856 115.700 0.003 0.000 2.617 3 S HA 0.295 4.767 4.470 0.003 0.000 0.259 3 S C -0.434 174.167 174.600 0.003 0.000 1.301 3 S CA -0.104 58.098 58.200 0.003 0.000 0.984 3 S CB 0.978 64.180 63.200 0.003 0.000 0.954 3 S HN 0.021 8.332 8.310 0.002 0.000 0.572 4 G N -0.259 108.543 108.800 0.003 0.000 2.387 4 G HA2 -0.076 3.885 3.960 0.003 0.000 0.309 4 G HA3 -0.076 3.885 3.960 0.003 0.000 0.309 4 G C -1.633 173.269 174.900 0.003 0.000 1.641 4 G CA -0.392 44.710 45.100 0.003 0.000 0.904 4 G HN -0.117 8.175 8.290 0.003 0.000 0.661 5 S N 2.206 117.908 115.700 0.003 0.000 2.542 5 S HA 0.358 4.830 4.470 0.004 0.000 0.293 5 S C -0.570 174.032 174.600 0.003 0.000 1.089 5 S CA -0.636 57.566 58.200 0.003 0.000 0.961 5 S CB 2.426 65.628 63.200 0.003 0.000 1.062 5 S HN -0.067 8.244 8.310 0.003 0.000 0.483 6 S N 2.581 118.283 115.700 0.003 0.000 2.532 6 S HA 0.274 4.746 4.470 0.003 0.000 0.301 6 S C -0.664 173.938 174.600 0.003 0.000 1.083 6 S CA 0.035 58.237 58.200 0.003 0.000 1.025 6 S CB 1.478 64.680 63.200 0.003 0.000 1.056 6 S HN 0.228 8.540 8.310 0.004 0.000 0.494 7 G N 2.396 111.197 108.800 0.002 0.000 2.620 7 G HA2 0.311 4.272 3.960 0.002 0.000 0.301 7 G HA3 0.311 4.271 3.960 0.001 0.000 0.301 7 G C -2.568 172.332 174.900 0.001 0.000 1.347 7 G CA -0.444 44.657 45.100 0.001 0.000 0.971 7 G HN 0.046 8.337 8.290 0.002 0.000 0.488 8 P HA 0.355 4.775 4.420 0.000 0.000 0.282 8 P C -1.307 175.992 177.300 -0.002 0.000 1.286 8 P CA -0.033 63.067 63.100 -0.001 0.000 0.777 8 P CB 1.019 32.718 31.700 -0.002 0.000 1.184 9 T N 0.993 115.545 114.554 -0.002 0.000 2.771 9 T HA 0.277 4.625 4.350 -0.003 0.000 0.281 9 T C -2.077 172.620 174.700 -0.005 0.000 0.982 9 T CA -1.624 60.474 62.100 -0.003 0.000 0.978 9 T CB -0.054 68.813 68.868 -0.002 0.000 0.930 9 T HN -0.120 8.119 8.240 -0.002 0.000 0.447 10 P HA 0.049 4.463 4.420 -0.010 0.000 0.271 10 P C -0.894 176.400 177.300 -0.010 0.000 1.220 10 P CA -0.284 62.811 63.100 -0.009 0.000 0.768 10 P CB 0.412 32.107 31.700 -0.009 0.000 0.848 11 K N 4.124 124.517 120.400 -0.012 0.000 2.334 11 K HA 0.285 4.599 4.320 -0.011 0.000 0.265 11 K C -0.384 176.206 176.600 -0.017 0.000 1.039 11 K CA -0.558 55.721 56.287 -0.013 0.000 0.920 11 K CB 0.932 33.425 32.500 -0.012 0.000 1.160 11 K HN 0.172 8.414 8.250 -0.014 0.000 0.451 12 T N 1.482 116.026 114.554 -0.016 0.000 2.770 12 T HA 0.136 4.472 4.350 -0.023 0.000 0.297 12 T C -0.260 174.428 174.700 -0.021 0.000 0.997 12 T CA -0.137 61.951 62.100 -0.020 0.000 0.949 12 T CB 0.766 69.623 68.868 -0.019 0.000 0.941 12 T HN 0.219 8.451 8.240 -0.014 0.000 0.457 13 E N 3.871 124.056 120.200 -0.025 0.000 2.383 13 E HA 0.099 4.436 4.350 -0.023 0.000 0.275 13 E C -1.617 174.963 176.600 -0.033 0.000 0.918 13 E CA -0.945 55.440 56.400 -0.025 0.000 0.764 13 E CB 2.246 31.933 29.700 -0.022 0.000 1.252 13 E HN 0.393 8.735 8.360 -0.029 0.000 0.449 14 L N 4.411 125.615 121.223 -0.032 0.000 2.865 14 L HA -0.081 4.232 4.340 -0.044 0.000 0.283 14 L C -1.242 175.600 176.870 -0.048 0.000 1.101 14 L CA 0.886 55.702 54.840 -0.040 0.000 1.061 14 L CB -0.833 41.206 42.059 -0.034 0.000 1.437 14 L HN 0.180 8.394 8.230 -0.027 0.000 0.460 15 V N 5.844 125.721 119.914 -0.061 0.000 2.735 15 V HA 0.273 4.355 4.120 -0.064 0.000 0.310 15 V C -1.949 174.073 176.094 -0.120 0.000 1.061 15 V CA -2.083 60.172 62.300 -0.075 0.000 0.913 15 V CB 2.847 34.630 31.823 -0.067 0.000 1.005 15 V HN -0.250 7.902 8.190 -0.063 0.000 0.428 16 Q N 7.163 126.867 119.800 -0.160 0.000 2.245 16 Q HA 0.229 4.396 4.340 -0.287 0.000 0.256 16 Q C -1.335 174.397 176.000 -0.447 0.000 0.942 16 Q CA -0.777 54.833 55.803 -0.321 0.000 0.896 16 Q CB 2.185 30.695 28.738 -0.380 0.000 1.272 16 Q HN -0.098 8.104 8.270 -0.114 0.000 0.442 17 K N 1.148 121.237 120.400 -0.518 0.000 2.182 17 K HA 0.479 4.820 4.320 -0.281 -0.190 0.262 17 K C -1.320 174.913 176.600 -0.612 0.000 0.957 17 K CA -1.752 54.289 56.287 -0.409 0.000 0.842 17 K CB 1.816 34.195 32.500 -0.202 0.000 1.099 17 K HN 0.204 8.175 8.250 -0.464 0.000 0.438 18 F N 1.523 121.446 119.950 -0.045 0.000 2.507 18 F HA 0.099 4.612 4.527 -0.023 0.000 0.325 18 F C -0.645 175.159 175.800 0.006 0.000 1.116 18 F CA -1.399 56.583 58.000 -0.030 0.000 0.930 18 F CB 3.285 42.249 39.000 -0.059 0.000 1.146 18 F HN 0.379 8.564 8.300 0.010 0.120 0.447 19 R N 6.352 126.973 120.500 0.202 0.000 2.343 19 R HA 0.016 4.442 4.340 0.145 0.000 0.326 19 R C -1.397 175.035 176.300 0.220 0.000 1.055 19 R CA 0.254 56.456 56.100 0.171 0.000 0.961 19 R CB -0.902 29.481 30.300 0.138 0.000 0.978 19 R HN 0.651 9.042 8.270 0.201 0.000 0.443 20 V N -0.761 119.299 119.914 0.243 0.000 3.202 20 V HA 0.814 5.213 4.120 0.353 -0.067 0.306 20 V C -2.207 174.111 176.094 0.374 0.000 1.283 20 V CA -2.600 59.896 62.300 0.327 0.000 1.065 20 V CB 3.337 35.361 31.823 0.335 0.000 1.079 20 V HN 0.228 8.546 8.190 0.214 0.000 0.448 21 Q N -1.995 118.087 119.800 0.470 0.000 2.195 21 Q HA 0.560 5.270 4.340 0.395 -0.133 0.250 21 Q C -1.541 174.756 176.000 0.495 0.000 0.988 21 Q CA -1.442 54.635 55.803 0.457 0.000 0.911 21 Q CB 3.787 32.818 28.738 0.487 0.000 1.258 21 Q HN -0.189 8.405 8.270 0.540 0.000 0.475 22 Y N 0.951 121.389 120.300 0.231 0.000 2.388 22 Y HA 0.228 4.739 4.550 -0.065 0.000 0.328 22 Y C -1.623 174.175 175.900 -0.170 0.000 0.963 22 Y CA -1.973 56.150 58.100 0.037 0.000 1.240 22 Y CB 0.829 39.362 38.460 0.122 0.000 1.118 22 Y HN -0.022 8.532 8.280 0.457 0.000 0.484 23 L N 6.633 127.409 121.223 -0.744 0.000 2.068 23 L HA -0.140 3.166 4.340 -1.724 0.000 0.204 23 L C 0.266 176.547 176.870 -0.982 0.000 1.076 23 L CA 1.768 55.875 54.840 -1.221 0.000 0.753 23 L CB 0.821 42.111 42.059 -1.281 0.000 0.910 23 L HN -0.298 7.595 8.230 -0.562 0.000 0.439 24 G N -6.620 101.518 108.800 -1.103 0.000 2.351 24 G HA2 -0.137 3.031 3.960 -1.319 0.000 0.279 24 G HA3 -0.137 3.481 3.960 -0.571 0.000 0.279 24 G C -3.425 171.256 174.900 -0.365 0.000 1.297 24 G CA -0.505 44.077 45.100 -0.862 0.000 0.886 24 G HN -1.012 6.695 8.290 -0.973 0.000 0.493 25 M N 1.247 120.714 119.600 -0.223 0.000 2.327 25 M HA 0.410 4.655 4.480 -0.391 0.000 0.298 25 M C -2.353 173.800 176.300 -0.246 0.000 1.065 25 M CA -0.629 54.511 55.300 -0.265 0.000 0.916 25 M CB 3.056 35.544 32.600 -0.187 0.000 1.630 25 M HN 0.066 8.231 8.290 -0.209 0.000 0.442 26 L N 6.443 127.497 121.223 -0.281 0.000 2.406 26 L HA 0.656 4.907 4.340 -0.149 0.000 0.272 26 L C -2.594 174.179 176.870 -0.161 0.000 0.980 26 L CA -3.733 50.995 54.840 -0.187 0.000 0.831 26 L CB 3.058 45.018 42.059 -0.165 0.000 1.253 26 L HN 0.558 8.567 8.230 -0.368 0.000 0.406 27 P HA 0.054 4.636 4.420 -0.059 -0.196 0.271 27 P C -1.393 175.880 177.300 -0.045 0.000 1.216 27 P CA -0.718 62.342 63.100 -0.067 0.000 0.776 27 P CB 0.448 32.116 31.700 -0.054 0.000 0.881 28 V N -2.537 117.372 119.914 -0.009 0.000 2.960 28 V HA 0.434 4.547 4.120 -0.013 0.000 0.315 28 V C -0.671 175.414 176.094 -0.015 0.000 1.087 28 V CA -2.887 59.418 62.300 0.008 0.000 0.982 28 V CB 3.583 35.443 31.823 0.063 0.000 1.039 28 V HN 0.240 8.441 8.190 0.018 0.000 0.437 29 D N 2.848 123.234 120.400 -0.024 0.000 2.216 29 D HA 0.005 4.580 4.640 -0.109 0.000 0.208 29 D C 0.075 176.351 176.300 -0.041 0.000 0.960 29 D CA 1.610 55.573 54.000 -0.061 0.000 0.861 29 D CB 0.580 41.352 40.800 -0.048 0.000 0.985 29 D HN 0.309 8.672 8.370 -0.011 0.000 0.493 30 R N -0.835 119.682 120.500 0.028 0.000 2.589 30 R HA 0.342 4.728 4.340 0.076 0.000 0.293 30 R C -1.696 174.712 176.300 0.180 0.000 0.963 30 R CA -2.695 53.447 56.100 0.070 0.000 0.905 30 R CB 1.070 31.369 30.300 -0.002 0.000 1.144 30 R HN -0.531 7.754 8.270 0.025 0.000 0.459 31 P HA -0.040 4.536 4.420 0.260 0.000 0.221 31 P C -1.264 176.039 177.300 0.005 0.000 1.150 31 P CA 1.009 64.190 63.100 0.136 0.000 0.800 31 P CB 0.530 32.170 31.700 -0.101 0.000 0.787 32 V N -6.497 113.334 119.914 -0.139 0.000 3.126 32 V HA 0.253 4.062 4.120 -0.518 0.000 0.314 32 V C -1.746 174.150 176.094 -0.331 0.000 1.138 32 V CA -2.423 59.623 62.300 -0.423 0.000 1.034 32 V CB 3.393 34.857 31.823 -0.598 0.000 1.075 32 V HN -1.034 7.058 8.190 -0.118 0.028 0.442 33 G N 0.824 109.330 108.800 -0.490 0.000 3.220 33 G HA2 -0.122 3.699 3.960 -0.231 0.000 0.636 33 G HA3 -0.122 3.757 3.960 -0.135 0.000 0.636 33 G C 0.360 175.244 174.900 -0.026 0.000 1.226 33 G CA -0.363 44.610 45.100 -0.212 0.000 1.177 33 G HN -0.092 7.584 8.290 -1.024 0.000 0.527 34 M N 2.347 121.962 119.600 0.025 0.000 2.346 34 M HA -0.392 4.253 4.480 0.275 0.000 0.263 34 M C 0.951 177.295 176.300 0.075 0.000 1.064 34 M CA 2.682 58.066 55.300 0.140 0.000 1.083 34 M CB -0.332 32.340 32.600 0.119 0.000 1.399 34 M HN 0.379 8.638 8.290 -0.052 0.000 0.435 35 D N -2.824 117.593 120.400 0.028 0.000 2.269 35 D HA -0.111 4.540 4.640 0.018 0.000 0.208 35 D C 1.339 177.648 176.300 0.015 0.000 0.963 35 D CA 2.629 56.637 54.000 0.014 0.000 0.864 35 D CB -0.223 40.575 40.800 -0.003 0.000 0.936 35 D HN 0.333 8.666 8.370 0.005 0.040 0.505 36 T N 0.614 115.182 114.554 0.023 0.000 2.953 36 T HA -0.030 4.324 4.350 0.007 0.000 0.247 36 T C 1.061 175.782 174.700 0.035 0.000 1.029 36 T CA 3.208 65.321 62.100 0.022 0.000 1.144 36 T CB 0.780 69.662 68.868 0.023 0.000 0.870 36 T HN -0.269 7.817 8.240 0.027 0.171 0.446 37 L N 1.488 122.760 121.223 0.081 0.000 2.012 37 L HA -0.414 3.946 4.340 0.035 0.000 0.210 37 L C 0.942 177.815 176.870 0.004 0.000 1.073 37 L CA 3.433 58.311 54.840 0.063 0.000 0.748 37 L CB 0.049 42.193 42.059 0.142 0.000 0.891 37 L HN -0.132 8.171 8.230 0.121 0.000 0.431 38 N N -2.225 116.488 118.700 0.023 0.000 2.381 38 N HA -0.308 4.423 4.740 -0.014 0.000 0.182 38 N C 1.974 177.478 175.510 -0.010 0.000 1.025 38 N CA 3.238 56.290 53.050 0.003 0.000 0.888 38 N CB -0.258 38.241 38.487 0.020 0.000 0.965 38 N HN -0.496 7.916 8.380 0.054 0.000 0.438 39 S N -1.404 114.291 115.700 -0.007 0.000 2.481 39 S HA -0.135 4.328 4.470 -0.012 0.000 0.231 39 S C 0.511 175.091 174.600 -0.035 0.000 0.996 39 S CA 1.790 59.980 58.200 -0.016 0.000 0.942 39 S CB -0.134 63.060 63.200 -0.011 0.000 0.768 39 S HN -0.287 7.880 8.310 0.004 0.145 0.520 40 A N 1.081 123.870 122.820 -0.051 0.000 2.044 40 A HA -0.025 4.249 4.320 -0.078 0.000 0.213 40 A C 1.247 178.763 177.584 -0.113 0.000 1.169 40 A CA 1.858 53.844 52.037 -0.085 0.000 0.724 40 A CB -0.104 18.834 19.000 -0.103 0.000 0.840 40 A HN -0.563 7.390 8.150 -0.043 0.171 0.463 41 I N -0.248 120.261 120.570 -0.102 0.000 2.110 41 I HA -0.655 3.408 4.170 -0.177 0.000 0.236 41 I C 1.589 177.659 176.117 -0.079 0.000 1.068 41 I CA 4.473 65.704 61.300 -0.116 0.000 1.333 41 I CB -0.306 37.646 38.000 -0.081 0.000 1.054 41 I HN -0.744 7.315 8.210 -0.078 0.104 0.402 42 E N -1.214 118.967 120.200 -0.032 0.000 2.097 42 E HA -0.433 3.933 4.350 0.027 0.000 0.196 42 E C 2.521 179.114 176.600 -0.012 0.000 1.000 42 E CA 3.502 59.902 56.400 -0.000 0.000 0.804 42 E CB -0.709 28.997 29.700 0.009 0.000 0.740 42 E HN -0.542 7.801 8.360 -0.028 0.000 0.454 43 N N -1.352 117.326 118.700 -0.037 0.000 2.060 43 N HA -0.287 4.437 4.740 -0.026 0.000 0.195 43 N C 2.422 177.902 175.510 -0.050 0.000 1.028 43 N CA 3.005 56.030 53.050 -0.042 0.000 0.861 43 N CB -0.423 38.029 38.487 -0.058 0.000 1.029 43 N HN -0.517 7.828 8.380 -0.044 0.009 0.428 44 L N -0.550 120.618 121.223 -0.091 0.000 2.072 44 L HA -0.323 3.954 4.340 -0.104 0.000 0.205 44 L C 1.796 178.651 176.870 -0.024 0.000 1.079 44 L CA 2.739 57.507 54.840 -0.121 0.000 0.752 44 L CB -0.187 41.717 42.059 -0.258 0.000 0.906 44 L HN -0.692 7.469 8.230 -0.111 0.002 0.436 45 M N -1.896 117.712 119.600 0.013 0.000 2.149 45 M HA -0.415 4.341 4.480 0.460 0.000 0.261 45 M C 2.653 179.073 176.300 0.200 0.000 1.064 45 M CA 3.849 59.284 55.300 0.225 0.000 1.102 45 M CB 0.020 32.741 32.600 0.202 0.000 1.369 45 M HN 0.044 8.244 8.290 -0.045 0.064 0.408 46 T N -3.664 110.944 114.554 0.090 0.000 2.708 46 T HA -0.317 4.064 4.350 0.053 0.000 0.266 46 T C 1.627 176.355 174.700 0.047 0.000 1.037 46 T CA 3.053 65.185 62.100 0.054 0.000 1.146 46 T CB 0.021 68.903 68.868 0.022 0.000 0.865 46 T HN 0.043 8.304 8.240 0.055 0.012 0.435 47 S N 3.775 119.500 115.700 0.041 0.000 2.363 47 S HA -0.219 4.258 4.470 0.012 0.000 0.218 47 S C 0.425 175.058 174.600 0.055 0.000 1.035 47 S CA 2.454 60.671 58.200 0.029 0.000 1.043 47 S CB 0.631 63.834 63.200 0.005 0.000 0.986 47 S HN -0.525 7.803 8.310 0.030 0.000 0.423 48 S N 0.054 115.838 115.700 0.140 0.000 2.565 48 S HA 0.248 4.744 4.470 0.044 0.000 0.290 48 S C -0.464 174.238 174.600 0.170 0.000 1.150 48 S CA -0.459 57.845 58.200 0.174 0.000 1.058 48 S CB 1.818 65.202 63.200 0.306 0.000 1.032 48 S HN -0.499 7.908 8.310 0.162 0.000 0.510 49 S N 2.597 118.144 115.700 -0.256 0.000 2.671 49 S HA 0.047 4.294 4.470 -0.371 0.000 0.272 49 S C 1.048 174.624 174.600 -1.706 0.000 1.174 49 S CA -0.933 56.909 58.200 -0.596 0.000 1.004 49 S CB 1.340 64.289 63.200 -0.417 0.000 1.077 49 S HN 0.283 8.456 8.310 -0.229 0.000 0.553 50 K N 1.041 120.459 120.400 -1.637 0.000 2.026 50 K HA -0.292 1.734 4.320 -3.824 0.000 0.208 50 K C 2.042 177.947 176.600 -1.157 0.000 1.048 50 K CA 3.553 58.647 56.287 -1.989 0.000 0.929 50 K CB -0.339 31.504 32.500 -1.095 0.000 0.713 50 K HN 0.431 8.078 8.250 -1.005 0.000 0.439 51 E N -4.308 115.469 120.200 -0.704 0.000 2.347 51 E HA -0.242 3.922 4.350 -0.309 0.000 0.196 51 E C 0.550 176.957 176.600 -0.321 0.000 1.008 51 E CA 2.115 58.281 56.400 -0.391 0.000 0.852 51 E CB -0.876 28.663 29.700 -0.269 0.000 0.783 51 E HN 0.084 8.049 8.360 -0.658 0.000 0.505 52 D N -1.801 118.324 120.400 -0.459 0.000 2.224 52 D HA -0.107 4.448 4.640 -0.142 0.000 0.205 52 D C -0.326 175.947 176.300 -0.045 0.000 0.965 52 D CA 0.488 54.343 54.000 -0.242 0.000 0.852 52 D CB 0.172 40.836 40.800 -0.226 0.000 0.947 52 D HN -0.097 7.696 8.370 -0.693 0.161 0.494 53 W N 0.108 121.365 121.300 -0.072 0.000 2.356 53 W HA 0.285 4.979 4.660 -0.064 -0.072 0.311 53 W C -1.724 174.809 176.519 0.023 0.000 1.328 53 W CA -3.582 53.737 57.345 -0.043 0.000 1.251 53 W CB -1.463 27.967 29.460 -0.049 0.000 1.280 53 W HN -0.696 6.968 8.180 -0.630 0.138 0.524 54 P HA 0.057 4.572 4.420 0.158 0.000 0.271 54 P C -0.869 176.585 177.300 0.256 0.000 1.218 54 P CA -0.478 62.754 63.100 0.220 0.000 0.780 54 P CB 0.997 32.826 31.700 0.215 0.000 0.901 55 S N 1.501 117.317 115.700 0.193 0.000 2.474 55 S HA 0.249 4.863 4.470 0.241 0.000 0.276 55 S C -0.772 173.937 174.600 0.182 0.000 1.227 55 S CA 0.726 59.044 58.200 0.195 0.000 1.050 55 S CB 0.237 63.524 63.200 0.145 0.000 0.939 55 S HN 0.182 8.583 8.310 0.151 0.000 0.490 56 V N -0.216 119.823 119.914 0.209 0.000 3.078 56 V HA 0.432 4.624 4.120 0.121 0.000 0.311 56 V C -2.386 173.790 176.094 0.135 0.000 1.138 56 V CA -2.890 59.506 62.300 0.160 0.000 1.007 56 V CB 3.492 35.417 31.823 0.170 0.000 1.045 56 V HN 0.772 9.115 8.190 0.255 0.000 0.432 57 N N 2.596 121.342 118.700 0.077 0.000 2.422 57 N HA 0.244 5.178 4.740 0.078 -0.147 0.266 57 N C -1.200 174.317 175.510 0.012 0.000 1.007 57 N CA -0.989 52.090 53.050 0.049 0.000 0.941 57 N CB 0.998 39.494 38.487 0.015 0.000 1.115 57 N HN 0.321 8.737 8.380 0.060 0.000 0.492 58 M N 5.496 125.110 119.600 0.022 0.000 2.201 58 M HA 0.093 4.501 4.480 -0.120 0.000 0.345 58 M C -1.751 174.553 176.300 0.008 0.000 1.352 58 M CA -0.017 55.260 55.300 -0.039 0.000 1.218 58 M CB 0.769 33.326 32.600 -0.072 0.000 1.512 58 M HN 0.771 9.006 8.290 0.082 0.104 0.447 59 N N 8.415 127.088 118.700 -0.045 0.000 2.406 59 N HA 0.309 5.191 4.740 -0.083 -0.191 0.251 59 N C -1.451 174.037 175.510 -0.036 0.000 1.069 59 N CA 0.263 53.280 53.050 -0.056 0.000 0.947 59 N CB 1.142 39.590 38.487 -0.066 0.000 1.111 59 N HN 0.328 8.668 8.380 -0.066 0.000 0.497 60 V N 5.266 125.180 119.914 0.000 0.000 2.293 60 V HA 0.273 4.485 4.120 -0.030 -0.110 0.275 60 V C -1.231 174.855 176.094 -0.014 0.000 1.021 60 V CA -0.673 61.633 62.300 0.010 0.000 0.815 60 V CB 0.388 32.269 31.823 0.097 0.000 1.025 60 V HN 0.799 8.983 8.190 -0.010 0.000 0.448 61 A N 7.956 130.756 122.820 -0.034 0.000 2.249 61 A HA 0.212 4.509 4.320 -0.038 0.000 0.281 61 A C 0.862 178.429 177.584 -0.028 0.000 1.127 61 A CA -1.134 50.882 52.037 -0.034 0.000 0.833 61 A CB 0.934 19.914 19.000 -0.034 0.000 1.140 61 A HN 0.624 8.665 8.150 -0.042 0.084 0.502 62 D N -0.844 119.542 120.400 -0.025 0.000 2.242 62 D HA -0.400 4.227 4.640 -0.022 0.000 0.193 62 D C 0.062 176.349 176.300 -0.022 0.000 1.005 62 D CA 3.566 57.553 54.000 -0.021 0.000 0.856 62 D CB 0.235 41.025 40.800 -0.016 0.000 1.001 62 D HN 0.550 8.905 8.370 -0.025 0.000 0.452 63 A N -6.187 116.625 122.820 -0.014 0.000 2.855 63 A HA 0.293 4.602 4.320 -0.017 0.000 0.301 63 A C -1.789 175.793 177.584 -0.004 0.000 1.076 63 A CA -0.931 51.101 52.037 -0.007 0.000 1.004 63 A CB 0.314 19.319 19.000 0.009 0.000 1.152 63 A HN -0.108 8.036 8.150 -0.011 0.000 0.531 64 T N -0.588 113.951 114.554 -0.025 0.000 2.889 64 T HA 0.145 4.479 4.350 -0.027 0.000 0.315 64 T C -2.263 172.398 174.700 -0.066 0.000 1.291 64 T CA 0.008 62.087 62.100 -0.035 0.000 1.028 64 T CB 3.578 72.433 68.868 -0.023 0.000 1.235 64 T HN -0.625 7.425 8.240 -0.032 0.171 0.491 65 V N 4.547 124.403 119.914 -0.096 0.000 2.398 65 V HA 0.433 4.640 4.120 -0.089 -0.141 0.282 65 V C -1.552 174.479 176.094 -0.104 0.000 1.014 65 V CA -0.958 61.270 62.300 -0.120 0.000 0.838 65 V CB 1.290 32.983 31.823 -0.217 0.000 1.018 65 V HN 1.050 9.083 8.190 -0.095 0.100 0.432 66 T N 8.816 123.321 114.554 -0.082 0.000 2.829 66 T HA 0.388 4.805 4.350 -0.076 -0.113 0.282 66 T C -1.184 173.465 174.700 -0.086 0.000 0.990 66 T CA -0.865 61.189 62.100 -0.076 0.000 1.028 66 T CB 1.513 70.345 68.868 -0.060 0.000 0.951 66 T HN 0.824 9.020 8.240 -0.072 0.000 0.460 67 V N 6.335 126.196 119.914 -0.087 0.000 2.333 67 V HA 0.083 4.132 4.120 -0.118 0.000 0.274 67 V C -1.768 174.287 176.094 -0.065 0.000 1.028 67 V CA -0.291 61.952 62.300 -0.096 0.000 0.851 67 V CB 0.289 32.058 31.823 -0.090 0.000 1.000 67 V HN 0.895 8.938 8.190 -0.080 0.099 0.456 68 I N 7.302 127.845 120.570 -0.045 0.000 2.493 68 I HA 0.773 5.169 4.170 -0.027 -0.242 0.298 68 I C -0.657 175.461 176.117 0.002 0.000 0.998 68 I CA -2.072 59.213 61.300 -0.024 0.000 1.137 68 I CB 3.379 41.366 38.000 -0.023 0.000 1.310 68 I HN 0.436 8.617 8.210 -0.047 0.000 0.445 69 S N 2.664 118.371 115.700 0.011 0.000 2.624 69 S HA 0.000 4.505 4.470 0.058 0.000 0.263 69 S C 0.105 174.729 174.600 0.041 0.000 1.287 69 S CA -0.434 57.789 58.200 0.039 0.000 0.990 69 S CB 1.613 64.839 63.200 0.043 0.000 0.950 69 S HN -0.246 8.065 8.310 0.003 0.000 0.561 70 E N 2.504 122.738 120.200 0.057 0.000 2.140 70 E HA -0.166 4.209 4.350 0.041 0.000 0.191 70 E C 1.527 178.150 176.600 0.038 0.000 0.973 70 E CA 1.847 58.276 56.400 0.050 0.000 0.829 70 E CB 0.398 30.137 29.700 0.064 0.000 0.781 70 E HN 0.392 8.796 8.360 0.074 0.000 0.466 71 K N -2.448 117.978 120.400 0.042 0.000 2.211 71 K HA -0.226 4.113 4.320 0.032 0.000 0.204 71 K C -0.790 175.825 176.600 0.025 0.000 1.047 71 K CA 1.970 58.277 56.287 0.034 0.000 0.935 71 K CB 0.026 32.549 32.500 0.038 0.000 0.728 71 K HN -0.046 8.236 8.250 0.052 0.000 0.452 72 N N -4.866 113.847 118.700 0.023 0.000 2.591 72 N HA 0.004 4.752 4.740 0.012 0.000 0.263 72 N C -2.079 173.437 175.510 0.009 0.000 1.308 72 N CA -1.534 51.524 53.050 0.014 0.000 0.837 72 N CB 2.435 40.931 38.487 0.014 0.000 1.548 72 N HN -0.833 7.531 8.380 0.027 0.033 0.493 73 E N -2.509 117.693 120.200 0.003 0.000 2.251 73 E HA -0.090 4.258 4.350 -0.005 0.000 0.194 73 E C 0.203 176.798 176.600 -0.008 0.000 0.964 73 E CA 1.550 57.947 56.400 -0.004 0.000 0.868 73 E CB 0.857 30.552 29.700 -0.008 0.000 0.828 73 E HN 0.312 8.673 8.360 0.003 0.000 0.481 74 E N -2.510 117.687 120.200 -0.005 0.000 2.482 74 E HA -0.144 4.200 4.350 -0.010 0.000 0.196 74 E C -0.447 176.149 176.600 -0.005 0.000 1.047 74 E CA 0.284 56.680 56.400 -0.006 0.000 0.869 74 E CB -0.513 29.185 29.700 -0.003 0.000 0.836 74 E HN -0.183 8.176 8.360 -0.002 0.000 0.520 75 E N 0.437 120.636 120.200 -0.002 0.000 2.166 75 E HA -0.007 4.343 4.350 0.001 0.000 0.279 75 E C -1.742 174.851 176.600 -0.011 0.000 1.095 75 E CA -0.361 56.039 56.400 -0.000 0.000 0.888 75 E CB -0.797 28.908 29.700 0.009 0.000 1.041 75 E HN -0.357 7.929 8.360 0.000 0.074 0.414 76 V N 8.089 127.994 119.914 -0.015 0.000 2.288 76 V HA 0.077 4.331 4.120 -0.036 -0.155 0.266 76 V C -0.162 175.909 176.094 -0.037 0.000 1.048 76 V CA -0.359 61.923 62.300 -0.029 0.000 0.842 76 V CB -0.129 31.677 31.823 -0.029 0.000 1.064 76 V HN 0.230 8.415 8.190 -0.010 0.000 0.472 77 L N 8.682 129.868 121.223 -0.061 0.000 2.056 77 L HA -0.164 4.142 4.340 -0.058 0.000 0.207 77 L C 0.033 176.837 176.870 -0.110 0.000 1.078 77 L CA 2.437 57.216 54.840 -0.102 0.000 0.749 77 L CB 0.524 42.457 42.059 -0.210 0.000 0.901 77 L HN 0.492 8.685 8.230 -0.061 0.000 0.433 78 V N -5.454 114.390 119.914 -0.117 0.000 2.817 78 V HA 0.119 4.188 4.120 -0.086 0.000 0.303 78 V C -1.889 174.145 176.094 -0.100 0.000 1.151 78 V CA -1.070 61.151 62.300 -0.132 0.000 0.929 78 V CB 3.453 35.091 31.823 -0.308 0.000 1.030 78 V HN -0.825 7.301 8.190 -0.106 0.000 0.427 79 E N 6.645 126.796 120.200 -0.081 0.000 2.070 79 E HA 0.105 4.409 4.350 -0.076 0.000 0.261 79 E C -1.562 174.984 176.600 -0.090 0.000 0.926 79 E CA -0.853 55.499 56.400 -0.080 0.000 0.760 79 E CB 0.472 30.126 29.700 -0.077 0.000 1.133 79 E HN 0.181 8.501 8.360 -0.068 0.000 0.420 80 C N 5.617 124.871 119.300 -0.076 0.000 2.391 80 C HA 0.220 4.639 4.460 -0.068 0.000 0.339 80 C C -1.571 173.357 174.990 -0.104 0.000 1.205 80 C CA -2.294 56.679 59.018 -0.074 0.000 1.937 80 C CB 2.988 30.697 27.740 -0.051 0.000 2.341 80 C HN 0.561 8.746 8.230 -0.074 0.000 0.516 81 R N 5.750 126.217 120.500 -0.055 0.000 2.534 81 R HA 0.295 4.631 4.340 -0.006 0.000 0.301 81 R C -0.121 176.247 176.300 0.113 0.000 0.961 81 R CA -1.468 54.661 56.100 0.048 0.000 0.871 81 R CB 3.081 33.481 30.300 0.166 0.000 1.170 81 R HN 0.314 8.559 8.270 -0.040 0.000 0.446 82 V N 4.453 124.390 119.914 0.038 0.000 2.370 82 V HA -0.413 3.692 4.120 -0.024 0.000 0.252 82 V C 0.698 176.863 176.094 0.118 0.000 1.068 82 V CA 3.061 65.379 62.300 0.030 0.000 1.061 82 V CB -0.097 31.723 31.823 -0.005 0.000 0.656 82 V HN 0.755 8.949 8.190 0.007 0.000 0.455 83 R N -3.630 116.967 120.500 0.161 0.000 2.096 83 R HA -0.266 4.123 4.340 0.082 0.000 0.235 83 R C 1.002 177.377 176.300 0.125 0.000 1.127 83 R CA 1.693 57.864 56.100 0.119 0.000 0.968 83 R CB -0.400 29.947 30.300 0.078 0.000 0.861 83 R HN -0.157 8.194 8.270 0.169 0.021 0.440 84 F N -4.268 115.749 119.950 0.111 0.000 2.293 84 F HA -0.128 4.532 4.527 0.221 0.000 0.297 84 F C 1.281 177.210 175.800 0.215 0.000 1.089 84 F CA 1.349 59.457 58.000 0.179 0.000 1.377 84 F CB 0.433 39.514 39.000 0.134 0.000 1.051 84 F HN -0.604 7.941 8.300 0.606 0.118 0.511 85 L N 0.762 122.165 121.223 0.300 0.000 2.737 85 L HA -0.340 4.242 4.340 0.192 -0.127 0.275 85 L C -0.148 176.834 176.870 0.187 0.000 1.179 85 L CA 0.654 55.606 54.840 0.187 0.000 0.970 85 L CB 0.270 42.371 42.059 0.070 0.000 1.268 85 L HN -0.407 7.893 8.230 0.272 0.094 0.485 86 S N 5.509 121.247 115.700 0.063 0.000 2.387 86 S HA -0.005 4.384 4.470 -0.134 0.000 0.221 86 S C -0.541 174.139 174.600 0.134 0.000 1.041 86 S CA 1.550 59.675 58.200 -0.125 0.000 0.959 86 S CB 1.798 64.659 63.200 -0.565 0.000 0.843 86 S HN 0.018 8.368 8.310 0.066 0.000 0.488 87 F N 0.962 120.917 119.950 0.009 0.000 2.628 87 F HA 0.428 5.151 4.527 0.118 -0.126 0.309 87 F C -2.938 172.946 175.800 0.140 0.000 1.108 87 F CA -0.645 57.399 58.000 0.073 0.000 0.971 87 F CB 4.140 43.147 39.000 0.010 0.000 1.279 87 F HN -0.762 7.650 8.300 0.187 0.000 0.441 88 M N 2.681 121.845 119.600 -0.726 0.000 2.446 88 M HA 0.669 4.919 4.480 -0.383 0.000 0.294 88 M C -2.566 173.299 176.300 -0.726 0.000 1.158 88 M CA -0.990 54.008 55.300 -0.503 0.000 0.899 88 M CB 4.317 36.905 32.600 -0.020 0.000 1.687 88 M HN 0.257 8.111 8.290 -0.726 0.000 0.455 89 G N -0.767 107.777 108.800 -0.427 0.000 2.645 89 G HA2 0.521 4.413 3.960 -0.114 0.000 0.292 89 G HA3 0.521 4.329 3.960 -0.254 0.000 0.292 89 G C -3.470 171.416 174.900 -0.024 0.000 1.415 89 G CA -0.315 44.659 45.100 -0.210 0.000 0.785 89 G HN 0.360 8.451 8.290 -0.332 0.000 0.483 90 V N -0.312 119.613 119.914 0.018 0.000 2.581 90 V HA 0.173 4.336 4.120 0.072 0.000 0.303 90 V C 0.191 176.290 176.094 0.008 0.000 1.041 90 V CA -1.538 60.783 62.300 0.035 0.000 0.907 90 V CB 3.281 35.109 31.823 0.009 0.000 0.994 90 V HN -0.380 7.816 8.190 0.011 0.000 0.442 91 G N 2.060 110.859 108.800 -0.001 0.000 2.667 91 G HA2 -0.078 4.099 3.960 0.007 0.000 0.250 91 G HA3 -0.078 3.883 3.960 0.001 0.000 0.250 91 G C -0.776 174.132 174.900 0.013 0.000 1.212 91 G CA -0.352 44.750 45.100 0.003 0.000 0.874 91 G HN -0.122 8.166 8.290 -0.002 0.000 0.561 92 K N -0.748 119.665 120.400 0.023 0.000 2.207 92 K HA -0.355 3.979 4.320 0.024 0.000 0.208 92 K C 0.087 176.704 176.600 0.029 0.000 1.046 92 K CA 2.313 58.616 56.287 0.027 0.000 0.929 92 K CB 0.140 32.660 32.500 0.033 0.000 0.720 92 K HN -0.265 8.133 8.250 0.024 -0.134 0.463 93 D N -3.218 117.201 120.400 0.032 0.000 2.229 93 D HA 0.136 4.813 4.640 0.061 0.000 0.249 93 D C 0.744 177.059 176.300 0.025 0.000 1.027 93 D CA -0.280 53.748 54.000 0.047 0.000 0.923 93 D CB 2.068 42.895 40.800 0.045 0.000 1.174 93 D HN -0.360 7.988 8.370 0.031 0.041 0.443 94 V N -1.045 118.918 119.914 0.083 0.000 3.623 94 V HA -0.085 3.979 4.120 -0.093 0.000 0.271 94 V C -0.957 174.999 176.094 -0.230 0.000 1.248 94 V CA 1.318 63.578 62.300 -0.066 0.000 1.156 94 V CB -0.457 31.300 31.823 -0.109 0.000 0.870 94 V HN 0.405 8.711 8.190 0.193 0.000 0.453 95 H N -1.347 117.491 119.070 -0.386 0.000 2.549 95 H HA 0.441 4.655 4.556 -0.569 0.000 0.279 95 H C -0.093 174.628 175.328 -1.011 0.000 1.018 95 H CA -1.332 54.257 56.048 -0.765 0.000 1.175 95 H CB -0.679 28.478 29.762 -1.009 0.000 1.485 95 H HN -0.020 8.233 8.280 0.103 0.089 0.543 96 T N -2.837 111.489 114.554 -0.379 0.000 2.893 96 T HA 0.312 4.544 4.350 -0.196 0.000 0.291 96 T C -1.411 173.310 174.700 0.035 0.000 1.028 96 T CA -1.804 60.192 62.100 -0.175 0.000 0.995 96 T CB 2.483 71.312 68.868 -0.065 0.000 1.051 96 T HN -0.851 7.177 8.240 -0.230 0.074 0.470 97 F N 4.544 124.461 119.950 -0.055 0.000 2.585 97 F HA 0.265 4.769 4.527 -0.038 0.000 0.319 97 F C -3.359 172.476 175.800 0.058 0.000 1.165 97 F CA -1.069 56.934 58.000 0.005 0.000 0.949 97 F CB 3.534 42.558 39.000 0.041 0.000 1.218 97 F HN 0.114 8.507 8.300 0.155 0.000 0.453 98 A N 7.689 130.153 122.820 -0.593 0.000 2.393 98 A HA 1.075 5.178 4.320 -0.709 -0.209 0.306 98 A C -2.647 174.555 177.584 -0.637 0.000 1.050 98 A CA -1.979 49.678 52.037 -0.633 0.000 0.724 98 A CB 3.554 22.344 19.000 -0.349 0.000 1.248 98 A HN 0.247 8.188 8.150 -0.348 0.000 0.424 99 F N -0.972 118.688 119.950 -0.483 0.000 2.565 99 F HA 0.646 4.979 4.527 -0.322 0.000 0.313 99 F C -2.934 172.822 175.800 -0.073 0.000 1.091 99 F CA -2.785 55.038 58.000 -0.293 0.000 0.915 99 F CB 2.936 41.790 39.000 -0.244 0.000 1.208 99 F HN 0.319 8.007 8.300 -1.020 0.000 0.453 100 I N 2.455 123.173 120.570 0.246 0.000 2.312 100 I HA 0.529 4.993 4.170 0.171 -0.192 0.290 100 I C -0.696 175.615 176.117 0.323 0.000 1.008 100 I CA -0.946 60.497 61.300 0.239 0.000 1.226 100 I CB 1.214 39.331 38.000 0.194 0.000 1.371 100 I HN 0.764 9.081 8.210 0.179 0.000 0.468 101 M N 4.819 124.651 119.600 0.388 0.000 2.705 101 M HA 0.514 5.166 4.480 0.285 0.000 0.311 101 M C -2.385 174.096 176.300 0.302 0.000 1.214 101 M CA -1.833 53.679 55.300 0.354 0.000 0.920 101 M CB 3.621 36.491 32.600 0.449 0.000 1.687 101 M HN 0.814 9.333 8.290 0.382 0.000 0.481 102 D N -0.510 120.095 120.400 0.343 0.000 2.313 102 D HA 0.065 5.007 4.640 0.504 0.000 0.239 102 D C 0.570 177.159 176.300 0.482 0.000 1.142 102 D CA -0.206 54.059 54.000 0.442 0.000 0.847 102 D CB 0.449 41.528 40.800 0.466 0.000 1.082 102 D HN -0.011 8.614 8.370 0.425 0.000 0.480 103 T N 4.492 119.305 114.554 0.431 0.000 3.275 103 T HA 0.179 4.651 4.350 0.204 0.000 0.265 103 T C -0.792 174.053 174.700 0.242 0.000 0.978 103 T CA -1.015 61.247 62.100 0.269 0.000 0.923 103 T CB 0.006 68.997 68.868 0.204 0.000 1.126 103 T HN -0.390 8.174 8.240 0.540 0.000 0.538 104 G N 2.227 111.215 108.800 0.313 0.000 2.530 104 G HA2 -0.153 3.919 3.960 0.187 0.000 0.081 104 G HA3 -0.153 3.906 3.960 0.166 0.000 0.081 104 G C -1.412 173.636 174.900 0.246 0.000 1.062 104 G CA 0.914 46.148 45.100 0.224 0.000 1.108 104 G HN -0.318 8.376 8.290 0.422 -0.151 0.466 105 N N -0.033 118.773 118.700 0.177 0.000 2.413 105 N HA -0.022 4.810 4.740 0.152 0.000 0.193 105 N C -0.041 175.621 175.510 0.253 0.000 1.043 105 N CA 1.357 54.503 53.050 0.161 0.000 0.910 105 N CB 0.733 39.260 38.487 0.067 0.000 1.111 105 N HN 0.034 8.486 8.380 0.120 0.000 0.452 106 Q N -1.721 118.088 119.800 0.014 0.000 2.471 106 Q HA -0.044 4.209 4.340 -0.146 0.000 0.241 106 Q C -0.353 174.971 176.000 -1.127 0.000 0.886 106 Q CA 0.191 55.786 55.803 -0.346 0.000 0.953 106 Q CB 1.263 29.876 28.738 -0.208 0.000 1.108 106 Q HN -0.127 8.132 8.270 -0.019 0.000 0.575 107 R N 0.485 120.690 120.500 -0.491 0.000 2.446 107 R HA -0.179 3.878 4.340 -0.471 0.000 0.314 107 R C -1.226 174.965 176.300 -0.182 0.000 1.003 107 R CA 1.004 56.876 56.100 -0.381 0.000 1.018 107 R CB -0.229 30.002 30.300 -0.116 0.000 0.945 107 R HN -0.279 7.857 8.270 -0.224 0.000 0.419 108 F N 3.548 123.536 119.950 0.065 0.000 2.522 108 F HA 0.428 5.084 4.527 0.124 -0.055 0.324 108 F C -0.525 175.301 175.800 0.044 0.000 1.077 108 F CA -3.251 54.800 58.000 0.085 0.000 0.944 108 F CB 2.727 41.779 39.000 0.087 0.000 1.175 108 F HN -0.035 8.058 8.300 -0.345 0.000 0.468 109 E N -0.494 119.856 120.200 0.250 0.000 2.212 109 E HA 0.387 4.732 4.350 -0.008 0.000 0.270 109 E C -1.968 174.626 176.600 -0.009 0.000 0.956 109 E CA -1.838 54.591 56.400 0.048 0.000 0.825 109 E CB 3.461 33.160 29.700 -0.002 0.000 1.167 109 E HN 0.385 8.943 8.360 0.330 0.000 0.400 110 C N 2.585 121.756 119.300 -0.215 0.000 2.356 110 C HA 0.656 5.219 4.460 -0.185 -0.215 0.324 110 C C -0.978 173.700 174.990 -0.521 0.000 1.167 110 C CA -2.028 56.828 59.018 -0.270 0.000 1.420 110 C CB 0.801 28.445 27.740 -0.161 0.000 2.036 110 C HN 0.223 8.292 8.230 -0.269 0.000 0.435 111 H N 8.658 127.370 119.070 -0.597 0.000 2.472 111 H HA 0.499 4.778 4.556 -0.461 0.000 0.335 111 H C -1.047 173.768 175.328 -0.857 0.000 1.136 111 H CA -0.530 55.114 56.048 -0.674 0.000 1.264 111 H CB 2.654 32.071 29.762 -0.575 0.000 1.486 111 H HN 0.109 8.002 8.280 -0.645 0.000 0.517 112 V N -1.433 118.020 119.914 -0.768 0.000 2.769 112 V HA 0.724 4.724 4.120 -0.512 -0.188 0.312 112 V C -1.295 174.258 176.094 -0.902 0.000 1.061 112 V CA -1.351 60.552 62.300 -0.662 0.000 0.931 112 V CB 2.539 34.083 31.823 -0.465 0.000 1.010 112 V HN -0.391 7.375 8.190 -0.707 0.000 0.433 113 F N 1.327 121.270 119.950 -0.012 0.000 2.588 113 F HA 0.414 5.172 4.527 0.141 -0.146 0.314 113 F C -1.106 174.816 175.800 0.204 0.000 1.134 113 F CA -1.457 56.634 58.000 0.151 0.000 0.961 113 F CB 4.197 43.353 39.000 0.260 0.000 1.239 113 F HN 0.805 9.027 8.300 0.051 0.109 0.448 114 W N 4.520 125.943 121.300 0.206 0.000 2.356 114 W HA 0.207 5.103 4.660 0.178 -0.129 0.311 114 W C -1.042 175.621 176.519 0.239 0.000 1.328 114 W CA 0.069 57.541 57.345 0.210 0.000 1.251 114 W CB 1.264 30.884 29.460 0.268 0.000 1.280 114 W HN -0.020 8.456 8.180 0.494 0.000 0.524 115 C N 8.618 127.820 119.300 -0.163 0.000 2.341 115 C HA 0.212 4.729 4.460 0.095 0.000 0.338 115 C C -1.310 173.600 174.990 -0.134 0.000 1.257 115 C CA -1.306 57.662 59.018 -0.084 0.000 1.883 115 C CB 2.293 29.937 27.740 -0.160 0.000 2.334 115 C HN 0.296 8.143 8.230 -0.464 0.105 0.524 116 E N 4.937 125.185 120.200 0.080 0.000 2.224 116 E HA 0.396 4.817 4.350 0.117 0.000 0.265 116 E C -1.304 175.335 176.600 0.065 0.000 0.878 116 E CA -2.725 53.761 56.400 0.143 0.000 0.759 116 E CB 1.540 31.424 29.700 0.306 0.000 1.164 116 E HN 0.462 8.893 8.360 0.118 0.000 0.414 117 P HA -0.059 4.451 4.420 0.150 0.000 0.215 117 P C -1.415 175.730 177.300 -0.258 0.000 1.157 117 P CA 1.128 64.231 63.100 0.005 0.000 0.859 117 P CB 0.787 32.483 31.700 -0.006 0.000 0.786 118 N N -3.847 114.648 118.700 -0.342 0.000 2.966 118 N HA 0.030 4.366 4.740 -0.758 -0.052 0.314 118 N C -1.570 173.744 175.510 -0.326 0.000 1.397 118 N CA -1.378 51.362 53.050 -0.517 0.000 0.776 118 N CB 2.896 41.079 38.487 -0.507 0.000 1.576 118 N HN -0.707 7.545 8.380 -0.214 0.000 0.592 119 A N -2.051 120.582 122.820 -0.313 0.000 3.181 119 A HA 0.343 4.487 4.320 -0.294 0.000 0.293 119 A C -0.448 176.979 177.584 -0.262 0.000 1.346 119 A CA -0.265 51.604 52.037 -0.281 0.000 1.018 119 A CB -0.456 18.411 19.000 -0.222 0.000 1.093 119 A HN 0.680 8.627 8.150 -0.338 0.000 0.629 120 A N 0.215 122.912 122.820 -0.204 0.000 1.878 120 A HA -0.163 4.141 4.320 -0.026 0.000 0.213 120 A C 0.737 178.253 177.584 -0.113 0.000 1.192 120 A CA 1.935 53.918 52.037 -0.089 0.000 0.619 120 A CB -0.054 18.915 19.000 -0.052 0.000 0.837 120 A HN 0.209 8.154 8.150 -0.209 0.080 0.446 121 N N -2.900 115.682 118.700 -0.198 0.000 2.300 121 N HA -0.259 4.381 4.740 -0.167 0.000 0.179 121 N C 1.477 176.658 175.510 -0.548 0.000 1.016 121 N CA 2.882 55.780 53.050 -0.253 0.000 0.876 121 N CB 0.333 38.733 38.487 -0.144 0.000 0.979 121 N HN 0.130 8.396 8.380 -0.191 0.000 0.432 122 V N -0.590 118.905 119.914 -0.700 0.000 2.231 122 V HA -0.429 2.834 4.120 -1.429 0.000 0.240 122 V C 1.235 176.845 176.094 -0.808 0.000 1.039 122 V CA 4.292 66.008 62.300 -0.973 0.000 0.998 122 V CB 0.152 31.470 31.823 -0.843 0.000 0.639 122 V HN -0.092 7.782 8.190 -0.527 0.000 0.451 123 S N -1.542 113.713 115.700 -0.742 0.000 2.462 123 S HA -0.374 3.560 4.470 -0.893 0.000 0.243 123 S C 1.722 176.173 174.600 -0.250 0.000 1.003 123 S CA 3.201 61.058 58.200 -0.571 0.000 0.970 123 S CB -0.507 62.514 63.200 -0.299 0.000 0.762 123 S HN -0.370 7.547 8.310 -0.656 0.000 0.510 124 E N 2.487 122.558 120.200 -0.216 0.000 2.122 124 E HA -0.094 4.395 4.350 -0.153 -0.231 0.190 124 E C 1.292 177.763 176.600 -0.216 0.000 0.977 124 E CA 1.883 58.173 56.400 -0.183 0.000 0.820 124 E CB 0.001 29.588 29.700 -0.188 0.000 0.770 124 E HN -0.460 7.567 8.360 -0.291 0.159 0.462 125 A N 0.901 123.562 122.820 -0.265 0.000 1.872 125 A HA -0.174 4.079 4.320 -0.112 0.000 0.214 125 A C 1.739 179.210 177.584 -0.188 0.000 1.187 125 A CA 2.725 54.656 52.037 -0.176 0.000 0.614 125 A CB -0.298 18.635 19.000 -0.112 0.000 0.826 125 A HN -0.112 7.702 8.150 -0.373 0.112 0.442 126 V N -0.908 118.851 119.914 -0.259 0.000 2.287 126 V HA -0.583 3.434 4.120 -0.172 0.000 0.248 126 V C 1.291 177.227 176.094 -0.263 0.000 1.053 126 V CA 3.896 66.067 62.300 -0.215 0.000 1.027 126 V CB -0.048 31.681 31.823 -0.158 0.000 0.646 126 V HN -0.296 7.675 8.190 -0.364 0.000 0.447 127 Q N -1.087 118.521 119.800 -0.320 0.000 2.084 127 Q HA -0.274 3.550 4.340 -0.861 0.000 0.202 127 Q C 1.773 177.476 176.000 -0.494 0.000 0.978 127 Q CA 2.720 58.184 55.803 -0.565 0.000 0.844 127 Q CB -0.469 28.047 28.738 -0.370 0.000 0.898 127 Q HN -0.605 7.499 8.270 -0.276 0.000 0.426 128 A N -1.632 121.032 122.820 -0.260 0.000 2.066 128 A HA -0.261 3.986 4.320 -0.121 0.000 0.218 128 A C 1.777 179.287 177.584 -0.122 0.000 1.157 128 A CA 2.139 54.084 52.037 -0.153 0.000 0.670 128 A CB -0.639 18.294 19.000 -0.112 0.000 0.804 128 A HN -0.488 7.521 8.150 -0.234 0.000 0.453 129 A N -1.287 121.448 122.820 -0.142 0.000 1.972 129 A HA -0.208 4.072 4.320 -0.065 0.000 0.219 129 A C 1.241 178.782 177.584 -0.072 0.000 1.169 129 A CA 2.576 54.557 52.037 -0.094 0.000 0.635 129 A CB -0.856 18.085 19.000 -0.099 0.000 0.810 129 A HN 0.202 8.099 8.150 -0.180 0.145 0.446 130 C N -3.583 115.652 119.300 -0.108 0.000 2.429 130 C HA -0.292 4.171 4.460 0.004 0.000 0.277 130 C C 0.813 175.825 174.990 0.037 0.000 1.262 130 C CA 3.716 62.722 59.018 -0.019 0.000 1.733 130 C CB -0.443 27.298 27.740 0.002 0.000 2.010 130 C HN -0.571 7.515 8.230 -0.207 0.021 0.483 131 S N -1.956 113.762 115.700 0.030 0.000 2.362 131 S HA -0.117 4.394 4.470 0.068 0.000 0.221 131 S C 0.606 175.216 174.600 0.016 0.000 1.032 131 S CA 2.131 60.358 58.200 0.046 0.000 0.973 131 S CB 0.671 63.904 63.200 0.054 0.000 0.849 131 S HN -0.602 7.614 8.310 -0.013 0.086 0.465 132 G N 0.015 108.812 108.800 -0.004 0.000 1.701 132 G HA2 -0.146 3.808 3.960 -0.010 0.000 0.057 132 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.057 132 G C -3.068 171.822 174.900 -0.016 0.000 1.314 132 G CA 0.129 45.224 45.100 -0.008 0.000 1.162 132 G HN -0.006 8.273 8.290 -0.017 0.000 0.358 133 P HA 0.147 4.557 4.420 -0.017 0.000 0.271 133 P C -1.218 176.069 177.300 -0.022 0.000 1.216 133 P CA 0.035 63.125 63.100 -0.016 0.000 0.776 133 P CB 0.261 31.954 31.700 -0.012 0.000 0.881 134 S N 1.650 117.335 115.700 -0.025 0.000 2.536 134 S HA 0.144 4.591 4.470 -0.040 0.000 0.298 134 S C 0.765 175.348 174.600 -0.028 0.000 1.083 134 S CA -1.246 56.934 58.200 -0.033 0.000 0.995 134 S CB 2.113 65.292 63.200 -0.035 0.000 1.058 134 S HN 0.031 8.329 8.310 -0.021 0.000 0.488 135 S N 5.085 120.763 115.700 -0.036 0.000 2.348 135 S HA 0.051 4.506 4.470 -0.025 0.000 0.219 135 S C 0.552 175.137 174.600 -0.026 0.000 1.033 135 S CA 0.647 58.828 58.200 -0.031 0.000 0.974 135 S CB 0.437 63.614 63.200 -0.038 0.000 0.868 135 S HN 0.254 8.536 8.310 -0.047 0.000 0.459 136 G N 1.024 109.805 108.800 -0.032 0.000 2.528 136 G HA2 -0.340 3.726 3.960 -0.017 0.000 0.262 136 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.262 136 G C -1.136 173.753 174.900 -0.017 0.000 1.200 136 G CA -0.504 44.586 45.100 -0.017 0.000 0.951 136 G HN -0.134 8.128 8.290 -0.047 0.000 0.566 137 I N 3.982 124.549 120.570 -0.005 0.000 2.943 137 I HA -0.147 4.020 4.170 -0.005 0.000 0.296 137 I C 0.619 176.729 176.117 -0.012 0.000 1.220 137 I CA 0.459 61.756 61.300 -0.006 0.000 1.409 137 I CB -0.037 37.963 38.000 -0.001 0.000 1.374 137 I HN 0.089 8.301 8.210 0.003 0.000 0.545 138 E N 6.646 126.837 120.200 -0.014 0.000 2.158 138 E HA -0.181 4.159 4.350 -0.017 0.000 0.191 138 E C 1.237 177.831 176.600 -0.010 0.000 0.982 138 E CA 0.813 57.205 56.400 -0.015 0.000 0.823 138 E CB 0.243 29.933 29.700 -0.016 0.000 0.766 138 E HN 0.187 8.539 8.360 -0.014 0.000 0.468 139 G N 1.171 109.967 108.800 -0.007 0.000 2.812 139 G HA2 -0.415 3.543 3.960 -0.004 0.000 0.219 139 G HA3 -0.415 3.542 3.960 -0.005 0.000 0.219 139 G C -0.587 174.311 174.900 -0.004 0.000 1.275 139 G CA 0.165 45.263 45.100 -0.005 0.000 0.769 139 G HN 0.159 8.446 8.290 -0.006 0.000 0.527 140 R N 5.699 126.196 120.500 -0.004 0.000 2.483 140 R HA -0.138 4.201 4.340 -0.002 0.000 0.329 140 R C 0.091 176.390 176.300 -0.002 0.000 0.961 140 R CA 0.020 56.119 56.100 -0.003 0.000 1.041 140 R CB -0.634 29.664 30.300 -0.004 0.000 0.930 140 R HN -0.317 7.863 8.270 -0.006 0.086 0.413 141 G N 4.514 113.314 108.800 -0.000 0.000 3.099 141 G HA2 0.190 4.151 3.960 0.001 0.000 0.151 141 G HA3 0.190 4.151 3.960 0.002 0.000 0.151 141 G C -1.109 173.792 174.900 0.002 0.000 1.265 141 G CA -0.477 44.624 45.100 0.001 0.000 0.981 141 G HN 0.005 8.295 8.290 -0.000 0.000 0.601 142 S N 0.055 115.757 115.700 0.004 0.000 2.474 142 S HA 0.281 4.754 4.470 0.004 0.000 0.321 142 S C 0.453 175.056 174.600 0.004 0.000 1.080 142 S CA -0.551 57.651 58.200 0.004 0.000 1.106 142 S CB 1.603 64.807 63.200 0.006 0.000 0.984 142 S HN -0.162 8.150 8.310 0.004 0.000 0.464 143 S N 7.091 122.793 115.700 0.004 0.000 2.354 143 S HA -0.162 4.309 4.470 0.003 0.000 0.219 143 S C 0.715 175.318 174.600 0.004 0.000 1.035 143 S CA 2.022 60.224 58.200 0.003 0.000 1.037 143 S CB 0.296 63.498 63.200 0.003 0.000 0.956 143 S HN 0.607 8.919 8.310 0.003 0.000 0.428 144 G N -0.270 108.532 108.800 0.005 0.000 2.792 144 G HA2 -0.244 3.720 3.960 0.006 0.000 0.201 144 G HA3 -0.244 3.719 3.960 0.005 0.000 0.201 144 G C -0.408 174.495 174.900 0.005 0.000 1.322 144 G CA -0.491 44.612 45.100 0.005 0.000 0.910 144 G HN -0.155 8.138 8.290 0.004 0.000 0.535 145 S N 3.640 119.343 115.700 0.004 0.000 3.483 145 S HA 0.179 4.652 4.470 0.004 0.000 0.274 145 S C -0.709 173.893 174.600 0.004 0.000 1.289 145 S CA 0.034 58.237 58.200 0.004 0.000 0.938 145 S CB -0.562 62.640 63.200 0.003 0.000 1.453 145 S HN 0.051 8.364 8.310 0.004 0.000 0.494 146 S N 4.216 119.919 115.700 0.004 0.000 2.593 146 S HA 0.015 4.487 4.470 0.004 0.000 0.269 146 S C 1.083 175.685 174.600 0.003 0.000 1.334 146 S CA 0.196 58.398 58.200 0.004 0.000 1.015 146 S CB 1.152 64.354 63.200 0.004 0.000 0.912 146 S HN -0.343 7.969 8.310 0.004 0.000 0.541 147 G N 2.744 111.546 108.800 0.003 0.000 2.724 147 G HA2 -0.016 3.946 3.960 0.003 0.000 0.217 147 G HA3 -0.016 3.946 3.960 0.003 0.000 0.217 147 G C -0.342 174.560 174.900 0.003 0.000 1.251 147 G CA 0.257 45.359 45.100 0.003 0.000 0.867 147 G HN 0.226 8.518 8.290 0.003 0.000 0.590 148 S N 2.516 118.218 115.700 0.003 0.000 2.409 148 S HA 0.102 4.574 4.470 0.003 0.000 0.308 148 S C -0.799 173.803 174.600 0.003 0.000 1.080 148 S CA -0.175 58.027 58.200 0.003 0.000 1.081 148 S CB -0.216 62.986 63.200 0.003 0.000 1.009 148 S HN 0.014 8.326 8.310 0.003 0.000 0.502 149 S N 6.681 122.383 115.700 0.004 0.000 2.552 149 S HA 0.201 4.673 4.470 0.004 0.000 0.314 149 S C -0.409 174.193 174.600 0.004 0.000 1.099 149 S CA 0.051 58.254 58.200 0.004 0.000 1.070 149 S CB 1.006 64.209 63.200 0.004 0.000 0.998 149 S HN 0.109 8.421 8.310 0.003 0.000 0.474 150 G N 4.521 113.323 108.800 0.004 0.000 2.761 150 G HA2 -0.147 3.815 3.960 0.004 0.000 0.230 150 G HA3 -0.147 3.815 3.960 0.004 0.000 0.230 150 G C -1.944 172.958 174.900 0.004 0.000 1.659 150 G CA 0.589 45.691 45.100 0.004 0.000 0.998 150 G HN 0.372 8.664 8.290 0.004 0.000 0.506 151 S N -0.916 114.787 115.700 0.004 0.000 2.578 151 S HA 0.074 4.547 4.470 0.004 0.000 0.272 151 S C -1.217 173.386 174.600 0.005 0.000 1.145 151 S CA -0.655 57.548 58.200 0.004 0.000 0.835 151 S CB 1.319 64.521 63.200 0.004 0.000 1.104 151 S HN -0.420 7.892 8.310 0.004 0.000 0.458 152 S N 0.847 116.549 115.700 0.005 0.000 2.537 152 S HA 0.260 4.734 4.470 0.005 0.000 0.275 152 S C 0.106 174.709 174.600 0.005 0.000 1.272 152 S CA 0.279 58.482 58.200 0.005 0.000 1.050 152 S CB 0.335 63.538 63.200 0.005 0.000 0.961 152 S HN 0.238 8.551 8.310 0.004 0.000 0.496 153 G N 3.901 112.704 108.800 0.005 0.000 2.579 153 G HA2 -0.137 3.827 3.960 0.005 0.000 0.080 153 G HA3 -0.137 3.826 3.960 0.005 0.000 0.080 153 G C -1.999 172.904 174.900 0.006 0.000 1.040 153 G CA 0.042 45.145 45.100 0.005 0.000 1.118 153 G HN 0.259 8.553 8.290 0.006 0.000 0.485 154 D N 1.125 121.529 120.400 0.005 0.000 2.793 154 D HA -0.222 4.421 4.640 0.006 0.000 0.230 154 D C -0.076 176.228 176.300 0.007 0.000 1.139 154 D CA 0.342 54.345 54.000 0.006 0.000 0.838 154 D CB 0.239 41.042 40.800 0.005 0.000 1.149 154 D HN 0.012 8.385 8.370 0.005 0.000 0.526 155 A N 2.491 125.316 122.820 0.007 0.000 2.313 155 A HA -0.049 4.276 4.320 0.008 0.000 0.261 155 A C 0.017 177.606 177.584 0.008 0.000 1.090 155 A CA -0.455 51.587 52.037 0.008 0.000 0.807 155 A CB 0.650 19.656 19.000 0.009 0.000 1.055 155 A HN 0.018 8.173 8.150 0.007 0.000 0.492 156 A N 0.537 123.362 122.820 0.009 0.000 2.577 156 A HA 0.208 4.534 4.320 0.009 0.000 0.280 156 A C -0.490 177.100 177.584 0.010 0.000 1.331 156 A CA -0.294 51.748 52.037 0.009 0.000 0.935 156 A CB 0.064 19.070 19.000 0.010 0.000 1.082 156 A HN 0.155 8.311 8.150 0.010 0.000 0.525 157 V N -0.087 119.834 119.914 0.011 0.000 2.508 157 V HA -0.112 4.015 4.120 0.012 0.000 0.281 157 V C 0.307 176.408 176.094 0.011 0.000 1.041 157 V CA 0.066 62.373 62.300 0.012 0.000 1.016 157 V CB 0.719 32.550 31.823 0.012 0.000 0.984 157 V HN -0.465 7.638 8.190 0.010 0.093 0.478 158 T N 9.249 123.810 114.554 0.011 0.000 2.919 158 T HA 0.290 4.645 4.350 0.008 0.000 0.302 158 T C -0.381 174.326 174.700 0.012 0.000 1.031 158 T CA -3.017 59.088 62.100 0.009 0.000 1.127 158 T CB 0.886 69.758 68.868 0.006 0.000 0.952 158 T HN 0.123 8.369 8.240 0.011 0.000 0.540 159 P HA 0.045 4.480 4.420 0.024 0.000 0.239 159 P C 0.281 177.601 177.300 0.034 0.000 1.184 159 P CA 1.068 64.180 63.100 0.020 0.000 0.760 159 P CB -0.041 31.666 31.700 0.010 0.000 0.884 160 E N -0.459 119.753 120.200 0.021 0.000 2.051 160 E HA -0.296 4.080 4.350 0.044 0.000 0.189 160 E C 1.720 178.325 176.600 0.009 0.000 0.979 160 E CA 3.126 59.538 56.400 0.019 0.000 0.803 160 E CB 0.039 29.731 29.700 -0.013 0.000 0.761 160 E HN -0.623 7.630 8.360 0.011 0.114 0.451 161 E N -1.008 119.190 120.200 -0.004 0.000 2.072 161 E HA -0.261 4.060 4.350 -0.048 0.000 0.190 161 E C 2.094 178.692 176.600 -0.004 0.000 0.982 161 E CA 2.398 58.787 56.400 -0.018 0.000 0.803 161 E CB -0.260 29.436 29.700 -0.007 0.000 0.755 161 E HN -0.655 7.705 8.360 0.001 0.000 0.453 162 R N -1.660 118.855 120.500 0.025 0.000 2.133 162 R HA -0.415 3.941 4.340 0.027 0.000 0.247 162 R C 2.117 178.459 176.300 0.071 0.000 1.151 162 R CA 3.804 59.928 56.100 0.040 0.000 0.971 162 R CB -0.030 30.297 30.300 0.044 0.000 0.866 162 R HN -0.684 7.601 8.270 0.025 0.000 0.447 163 H N -1.540 117.522 119.070 -0.014 0.000 2.320 163 H HA -0.017 4.538 4.556 -0.002 0.000 0.309 163 H C 1.737 177.055 175.328 -0.017 0.000 1.057 163 H CA 2.118 58.157 56.048 -0.014 0.000 1.374 163 H CB 0.045 29.790 29.762 -0.028 0.000 1.421 163 H HN -0.716 7.626 8.280 0.137 0.020 0.532 164 L N -0.778 120.180 121.223 -0.443 0.000 2.151 164 L HA -0.488 3.429 4.340 -0.705 0.000 0.215 164 L C 2.406 179.124 176.870 -0.253 0.000 1.084 164 L CA 3.286 57.856 54.840 -0.449 0.000 0.764 164 L CB -0.530 41.385 42.059 -0.241 0.000 0.891 164 L HN -0.211 7.909 8.230 -0.184 0.000 0.435 165 S N -1.411 114.206 115.700 -0.139 0.000 2.345 165 S HA -0.304 4.288 4.470 -0.053 -0.153 0.219 165 S C 1.587 176.162 174.600 -0.041 0.000 1.031 165 S CA 3.128 61.291 58.200 -0.061 0.000 0.984 165 S CB -0.402 62.785 63.200 -0.021 0.000 0.874 165 S HN 0.062 8.267 8.310 -0.114 0.037 0.451 166 K N 0.999 121.385 120.400 -0.023 0.000 2.059 166 K HA -0.382 3.962 4.320 0.040 0.000 0.212 166 K C 2.609 179.228 176.600 0.032 0.000 1.050 166 K CA 2.818 59.123 56.287 0.031 0.000 0.927 166 K CB -0.275 32.283 32.500 0.097 0.000 0.714 166 K HN -0.582 7.586 8.250 -0.023 0.068 0.447 167 M N -3.938 115.642 119.600 -0.033 0.000 2.082 167 M HA -0.308 4.216 4.480 0.074 0.000 0.258 167 M C 1.960 178.276 176.300 0.027 0.000 1.069 167 M CA 2.313 57.612 55.300 -0.002 0.000 1.102 167 M CB -0.882 31.659 32.600 -0.098 0.000 1.336 167 M HN -0.518 7.684 8.290 -0.143 0.003 0.404 168 Q N -6.743 113.056 119.800 -0.002 0.000 2.415 168 Q HA -0.106 4.372 4.340 0.041 -0.113 0.206 168 Q C 0.514 176.542 176.000 0.046 0.000 0.946 168 Q CA 1.236 57.054 55.803 0.024 0.000 0.951 168 Q CB -0.922 27.817 28.738 0.002 0.000 1.026 168 Q HN -0.466 7.697 8.270 -0.043 0.081 0.510 169 Q N -0.820 119.012 119.800 0.054 0.000 2.527 169 Q HA 0.042 4.410 4.340 0.047 0.000 0.194 169 Q C 0.929 176.979 176.000 0.082 0.000 0.963 169 Q CA 1.674 57.511 55.803 0.056 0.000 0.861 169 Q CB 1.647 30.411 28.738 0.042 0.000 1.051 169 Q HN 0.044 8.098 8.270 0.050 0.246 0.605 170 N N -5.082 113.678 118.700 0.099 0.000 2.407 170 N HA 0.045 4.843 4.740 0.095 0.000 0.182 170 N C 0.451 176.099 175.510 0.230 0.000 1.079 170 N CA 0.211 53.333 53.050 0.119 0.000 0.882 170 N CB 2.435 40.969 38.487 0.079 0.000 1.106 170 N HN -0.252 8.183 8.380 0.092 0.000 0.461 171 G N 0.852 109.790 108.800 0.229 0.000 2.698 171 G HA2 -0.359 3.805 3.960 0.163 0.000 0.233 171 G HA3 -0.359 3.857 3.960 0.428 0.000 0.233 171 G C -1.760 173.336 174.900 0.327 0.000 1.352 171 G CA -0.153 45.115 45.100 0.281 0.000 0.879 171 G HN -0.572 7.814 8.290 0.160 0.000 0.567 172 Y N 3.397 123.791 120.300 0.156 0.000 2.327 172 Y HA 0.250 4.910 4.550 0.184 0.000 0.325 172 Y C -2.081 173.974 175.900 0.259 0.000 0.999 172 Y CA -1.233 56.965 58.100 0.164 0.000 1.195 172 Y CB 2.400 40.908 38.460 0.081 0.000 1.132 172 Y HN 0.030 8.384 8.280 0.123 0.000 0.455 173 E N 8.053 128.410 120.200 0.260 0.000 2.081 173 E HA 0.071 4.782 4.350 0.600 0.000 0.281 173 E C -1.280 175.456 176.600 0.227 0.000 0.986 173 E CA -1.142 55.467 56.400 0.348 0.000 0.796 173 E CB 0.877 30.678 29.700 0.168 0.000 1.085 173 E HN 0.101 8.445 8.360 -0.027 0.000 0.398 174 N N 6.396 125.327 118.700 0.385 0.000 2.365 174 N HA -0.159 4.898 4.740 0.529 0.000 0.265 174 N C -0.083 175.584 175.510 0.262 0.000 1.288 174 N CA -1.018 52.255 53.050 0.372 0.000 0.869 174 N CB 0.156 38.832 38.487 0.315 0.000 1.071 174 N HN 0.172 8.796 8.380 0.406 0.000 0.480 175 P HA -0.058 4.437 4.420 0.126 0.000 0.214 175 P C 0.434 177.798 177.300 0.107 0.000 1.162 175 P CA 1.471 64.646 63.100 0.125 0.000 0.874 175 P CB 0.617 32.359 31.700 0.071 0.000 0.784 176 T N -2.149 112.464 114.554 0.097 0.000 2.718 176 T HA -0.362 3.974 4.350 -0.025 0.000 0.266 176 T C 0.196 174.903 174.700 0.012 0.000 1.033 176 T CA 2.275 64.393 62.100 0.031 0.000 1.151 176 T CB 0.140 69.032 68.868 0.041 0.000 0.853 176 T HN 0.271 8.584 8.240 0.122 0.000 0.466 177 Y N 1.273 121.586 120.300 0.021 0.000 2.616 177 Y HA -0.110 4.470 4.550 0.050 0.000 0.350 177 Y C -1.499 174.380 175.900 -0.035 0.000 1.119 177 Y CA 0.236 58.370 58.100 0.057 0.000 1.467 177 Y CB -1.137 37.414 38.460 0.151 0.000 1.287 177 Y HN -0.756 7.674 8.280 0.290 0.024 0.504 178 K N 5.847 126.136 120.400 -0.185 0.000 3.084 178 K HA 0.237 3.918 4.320 -1.065 0.000 0.172 178 K C -1.455 174.697 176.600 -0.747 0.000 1.078 178 K CA -0.820 55.093 56.287 -0.623 0.000 0.875 178 K CB -0.361 31.856 32.500 -0.472 0.000 1.064 178 K HN -0.086 7.928 8.250 -0.394 0.000 0.597 179 F N 0.610 120.332 119.950 -0.380 0.000 2.717 179 F HA 0.006 4.412 4.527 -0.202 0.000 0.295 179 F C -0.001 175.748 175.800 -0.085 0.000 1.117 179 F CA 0.257 58.152 58.000 -0.176 0.000 1.361 179 F CB 0.255 39.225 39.000 -0.050 0.000 1.112 179 F HN -0.135 8.199 8.300 0.057 0.000 0.594 180 F N -1.312 118.815 119.950 0.295 0.000 2.408 180 F HA 0.087 4.738 4.527 0.207 0.000 0.303 180 F C 0.127 175.996 175.800 0.115 0.000 1.268 180 F CA -1.866 56.251 58.000 0.195 0.000 1.218 180 F CB 0.290 39.386 39.000 0.160 0.000 1.283 180 F HN -0.895 7.051 8.300 -0.590 0.000 0.545 181 E N 0.539 120.953 120.200 0.358 0.000 3.312 181 E HA 0.207 4.636 4.350 0.131 0.000 0.215 181 E C -0.996 175.744 176.600 0.234 0.000 1.160 181 E CA -0.344 56.181 56.400 0.208 0.000 1.267 181 E CB -0.615 29.165 29.700 0.133 0.000 1.361 181 E HN 0.072 8.671 8.360 0.398 0.000 0.433 182 Q N -0.829 119.194 119.800 0.371 0.000 2.204 182 Q HA 0.080 4.509 4.340 0.148 0.000 0.209 182 Q C -0.599 175.501 176.000 0.167 0.000 0.861 182 Q CA -0.509 55.440 55.803 0.244 0.000 0.971 182 Q CB 0.821 29.695 28.738 0.226 0.000 1.095 182 Q HN -0.087 8.527 8.270 0.573 0.000 0.486 183 M N 0.510 120.187 119.600 0.128 0.000 2.194 183 M HA -0.120 4.405 4.480 0.074 0.000 0.347 183 M C -0.351 175.977 176.300 0.047 0.000 1.439 183 M CA 0.313 55.654 55.300 0.069 0.000 1.131 183 M CB -0.131 32.489 32.600 0.032 0.000 1.733 183 M HN -0.446 7.838 8.290 0.131 0.084 0.467 184 Q N 4.281 124.103 119.800 0.037 0.000 2.332 184 Q HA 0.043 4.398 4.340 0.026 0.000 0.263 184 Q C 1.021 177.031 176.000 0.017 0.000 0.979 184 Q CA -0.041 55.776 55.803 0.024 0.000 0.885 184 Q CB 0.428 29.177 28.738 0.018 0.000 1.218 184 Q HN 0.216 8.510 8.270 0.040 0.000 0.405 185 N N 0.000 118.708 118.700 0.014 0.000 1.763 185 N HA 0.000 4.745 4.740 0.009 0.000 0.220 185 N CA 0.000 53.056 53.050 0.009 0.000 0.885 185 N CB 0.000 38.492 38.487 0.008 0.000 1.341 185 N HN 0.000 8.389 8.380 0.015 0.000 0.667