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 2je9_1_B DATA FIRST_RESID 2 DATA SEQUENCE MADTIVAVEL DSYPNTDIGD PNYPHIGIDI KSIRSKSTAR WNMQTGKVGT DATA SEQUENCE VHISYNSVAK RLSAVVSYSG SSSTTVSYDV DLNNVLPEWV RVGLSATTGL DATA SEQUENCE YKETNTILSW SFTSKLKTNS IADENSLHFS FHKFSQNPKD LILQGDAFTD DATA SEQUENCE SDGNLQLTKV SSSGDPQGNS VGRALFYAPV HIWEKSAVVA SFDATFTFLI DATA SEQUENCE KSPDREPADG ITFFIANTDT SIPSGSGGRL LGLFPDAN 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 2 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 2 M C 0.000 176.307 176.300 0.012 0.000 1.140 2 M CA 0.000 55.307 55.300 0.013 0.000 0.988 2 M CB 0.000 32.611 32.600 0.018 0.000 1.302 3 A N 0.005 122.835 122.820 0.018 0.000 2.386 3 A HA 0.583 4.903 4.320 0.001 0.000 0.246 3 A C 0.051 177.646 177.584 0.019 0.000 1.089 3 A CA 0.120 52.168 52.037 0.019 0.000 0.790 3 A CB -0.231 18.791 19.000 0.037 0.000 1.042 3 A HN 1.054 9.204 8.150 -0.000 0.000 0.497 4 D N 0.514 120.916 120.400 0.004 0.000 2.400 4 D HA 0.278 4.919 4.640 0.001 0.000 0.238 4 D C 0.006 176.323 176.300 0.029 0.000 1.157 4 D CA 0.919 54.920 54.000 0.001 0.000 0.889 4 D CB 0.371 41.146 40.800 -0.042 0.000 1.199 4 D HN 0.410 8.780 8.370 -0.000 0.000 0.436 5 T N 2.217 116.795 114.554 0.039 0.000 2.749 5 T HA 0.440 4.791 4.350 0.001 0.000 0.287 5 T C 0.107 174.844 174.700 0.061 0.000 0.970 5 T CA -0.625 61.513 62.100 0.063 0.000 0.980 5 T CB 0.571 69.476 68.868 0.062 0.000 0.924 5 T HN 0.111 8.351 8.240 -0.000 0.000 0.456 6 I N 3.575 124.200 120.570 0.093 0.000 2.465 6 I HA 0.483 4.653 4.170 0.001 0.000 0.291 6 I C -0.406 175.796 176.117 0.143 0.000 1.014 6 I CA -1.001 60.343 61.300 0.074 0.000 1.093 6 I CB 1.889 39.814 38.000 -0.126 0.000 1.267 6 I HN 0.316 8.526 8.210 -0.000 0.000 0.431 7 V N 4.876 124.858 119.914 0.113 0.000 2.487 7 V HA 0.878 4.999 4.120 0.001 0.000 0.298 7 V C -0.017 176.161 176.094 0.139 0.000 1.028 7 V CA -0.413 61.965 62.300 0.129 0.000 0.860 7 V CB 1.809 33.689 31.823 0.096 0.000 0.991 7 V HN 0.939 9.129 8.190 -0.000 0.000 0.427 8 A N 4.173 127.100 122.820 0.178 0.000 2.572 8 A HA 0.875 5.195 4.320 0.001 0.000 0.295 8 A C -1.440 176.275 177.584 0.218 0.000 1.072 8 A CA -0.548 51.602 52.037 0.188 0.000 0.691 8 A CB 2.158 21.239 19.000 0.136 0.000 1.291 8 A HN 0.595 8.745 8.150 -0.000 0.000 0.404 9 V N 2.393 122.471 119.914 0.274 0.000 2.357 9 V HA 0.394 4.515 4.120 0.001 0.000 0.284 9 V C -0.120 176.070 176.094 0.161 0.000 1.018 9 V CA -0.333 62.108 62.300 0.235 0.000 0.841 9 V CB 1.138 33.143 31.823 0.304 0.000 0.991 9 V HN 0.962 9.152 8.190 -0.000 0.000 0.437 10 E N 5.335 125.584 120.200 0.081 0.000 2.156 10 E HA 0.565 4.916 4.350 0.001 0.000 0.279 10 E C -1.256 175.276 176.600 -0.113 0.000 0.965 10 E CA -0.939 55.465 56.400 0.006 0.000 0.789 10 E CB 1.672 31.390 29.700 0.030 0.000 1.098 10 E HN 0.333 8.693 8.360 -0.000 0.000 0.397 11 L N 3.649 124.737 121.223 -0.225 0.000 2.302 11 L HA 0.204 4.545 4.340 0.001 0.000 0.285 11 L C -0.492 176.283 176.870 -0.159 0.000 1.090 11 L CA -0.013 54.517 54.840 -0.517 0.000 0.866 11 L CB 0.510 42.030 42.059 -0.898 0.000 1.244 11 L HN 0.632 8.862 8.230 -0.000 0.000 0.435 12 D N 0.707 121.063 120.400 -0.074 0.000 2.443 12 D HA 0.144 4.784 4.640 0.001 0.000 0.221 12 D C 1.050 177.437 176.300 0.144 0.000 1.097 12 D CA -0.004 53.956 54.000 -0.067 0.000 0.865 12 D CB 1.193 41.731 40.800 -0.437 0.000 1.034 12 D HN 0.501 8.871 8.370 -0.000 0.000 0.511 13 S N 3.081 118.962 115.700 0.302 0.000 2.461 13 S HA -0.066 4.405 4.470 0.001 0.000 0.228 13 S C 0.706 175.424 174.600 0.197 0.000 1.005 13 S CA 0.148 58.496 58.200 0.247 0.000 0.942 13 S CB -0.112 63.217 63.200 0.215 0.000 0.776 13 S HN 0.499 8.809 8.310 -0.000 0.000 0.514 14 Y N 3.731 124.085 120.300 0.089 0.000 2.334 14 Y HA 0.520 5.071 4.550 0.001 0.000 0.336 14 Y C -3.107 172.870 175.900 0.129 0.000 0.960 14 Y CA -3.104 55.058 58.100 0.102 0.000 1.164 14 Y CB 1.376 39.907 38.460 0.119 0.000 1.155 14 Y HN 0.008 8.288 8.280 -0.000 0.000 0.478 15 P HA 0.146 4.566 4.420 -0.000 0.000 0.275 15 P C -1.330 175.766 177.300 -0.340 0.000 1.276 15 P CA 0.120 63.071 63.100 -0.249 0.000 0.782 15 P CB 0.235 31.798 31.700 -0.229 0.000 0.851 16 N N 1.223 119.896 118.700 -0.045 0.000 3.105 16 N HA 0.066 4.806 4.740 0.001 0.000 0.256 16 N C 1.278 176.778 175.510 -0.016 0.000 1.174 16 N CA -0.270 52.803 53.050 0.038 0.000 1.030 16 N CB 0.049 38.623 38.487 0.144 0.000 1.305 16 N HN 0.345 8.725 8.380 -0.000 0.000 0.509 17 T N -2.626 111.890 114.554 -0.063 0.000 2.929 17 T HA -0.168 4.182 4.350 0.001 0.000 0.271 17 T C 1.142 175.813 174.700 -0.047 0.000 1.085 17 T CA 1.054 63.108 62.100 -0.077 0.000 1.125 17 T CB -0.052 68.764 68.868 -0.086 0.000 0.874 17 T HN 0.121 8.361 8.240 -0.000 0.000 0.494 18 D N 1.900 122.288 120.400 -0.019 0.000 2.263 18 D HA -0.001 4.639 4.640 0.001 0.000 0.208 18 D C 1.517 177.807 176.300 -0.018 0.000 0.971 18 D CA 0.939 54.932 54.000 -0.012 0.000 0.867 18 D CB -0.267 40.537 40.800 0.007 0.000 0.929 18 D HN 0.812 9.182 8.370 -0.000 0.000 0.492 19 I N -5.023 115.536 120.570 -0.017 0.000 3.816 19 I HA 0.487 4.657 4.170 0.001 0.000 0.334 19 I C 1.042 177.130 176.117 -0.048 0.000 1.551 19 I CA -0.142 61.142 61.300 -0.028 0.000 1.153 19 I CB 0.484 38.474 38.000 -0.016 0.000 1.197 19 I HN -0.039 8.171 8.210 -0.000 0.000 0.439 20 G N 0.516 109.278 108.800 -0.062 0.000 2.175 20 G HA2 -0.235 3.725 3.960 0.001 0.000 0.244 20 G HA3 -0.235 3.725 3.960 0.001 0.000 0.244 20 G C -0.216 174.603 174.900 -0.135 0.000 0.982 20 G CA 0.004 45.050 45.100 -0.090 0.000 0.641 20 G HN 0.481 8.771 8.290 -0.000 0.000 0.527 21 D N 2.164 122.486 120.400 -0.130 0.000 2.443 21 D HA 0.379 5.020 4.640 0.001 0.000 0.239 21 D C -1.258 174.821 176.300 -0.368 0.000 1.136 21 D CA -0.578 53.276 54.000 -0.243 0.000 0.879 21 D CB 1.025 41.787 40.800 -0.062 0.000 1.195 21 D HN 0.251 8.621 8.370 -0.000 0.000 0.443 22 P HA -0.000 4.420 4.420 -0.000 0.000 0.272 22 P C -0.039 176.853 177.300 -0.681 0.000 1.240 22 P CA -0.326 62.354 63.100 -0.701 0.000 0.791 22 P CB 0.600 31.650 31.700 -1.084 0.000 0.978 23 N N 0.839 119.190 118.700 -0.583 0.000 3.259 23 N HA 0.062 4.803 4.740 0.001 0.000 0.308 23 N C -1.029 174.380 175.510 -0.168 0.000 1.334 23 N CA -0.280 52.589 53.050 -0.302 0.000 1.202 23 N CB -0.531 37.874 38.487 -0.137 0.000 1.485 23 N HN 0.329 8.709 8.380 -0.000 0.000 0.549 24 Y N -3.031 117.284 120.300 0.024 0.000 2.702 24 Y HA 0.495 5.045 4.550 0.001 0.000 0.336 24 Y C -3.130 172.891 175.900 0.202 0.000 1.203 24 Y CA -2.658 55.479 58.100 0.062 0.000 1.072 24 Y CB -0.096 38.397 38.460 0.055 0.000 1.327 24 Y HN -0.010 8.270 8.280 -0.000 0.000 0.456 25 P HA 0.174 4.594 4.420 -0.000 0.000 0.268 25 P C -0.916 176.745 177.300 0.602 0.000 1.205 25 P CA 0.727 64.020 63.100 0.322 0.000 0.771 25 P CB 0.220 31.911 31.700 -0.014 0.000 0.858 26 H N 1.469 120.858 119.070 0.532 0.000 3.012 26 H HA 0.513 5.070 4.556 0.001 0.000 0.367 26 H C -1.318 174.209 175.328 0.330 0.000 1.211 26 H CA -1.109 55.217 56.048 0.464 0.000 1.139 26 H CB 1.007 30.963 29.762 0.323 0.000 1.838 26 H HN 0.311 8.591 8.280 -0.000 0.000 0.550 27 I N 1.249 121.968 120.570 0.248 0.000 2.437 27 I HA 0.635 4.806 4.170 0.001 0.000 0.298 27 I C -0.338 175.869 176.117 0.150 0.000 0.984 27 I CA -0.280 61.038 61.300 0.030 0.000 1.214 27 I CB 1.237 39.173 38.000 -0.106 0.000 1.365 27 I HN 0.839 9.049 8.210 -0.000 0.000 0.469 28 G N 7.151 116.019 108.800 0.112 0.000 2.667 28 G HA2 0.600 4.561 3.960 0.001 0.000 0.298 28 G HA3 0.600 4.561 3.960 0.001 0.000 0.298 28 G C -1.469 173.490 174.900 0.097 0.000 1.377 28 G CA -0.609 44.574 45.100 0.138 0.000 0.964 28 G HN 0.566 8.856 8.290 -0.000 0.000 0.493 29 I N 1.754 122.365 120.570 0.068 0.000 2.312 29 I HA 0.255 4.426 4.170 0.001 0.000 0.290 29 I C -0.967 175.150 176.117 -0.000 0.000 1.008 29 I CA -0.678 60.660 61.300 0.064 0.000 1.226 29 I CB 1.694 39.742 38.000 0.080 0.000 1.371 29 I HN 0.215 8.425 8.210 -0.000 0.000 0.468 30 D N 7.899 128.337 120.400 0.064 0.000 2.256 30 D HA 0.442 5.082 4.640 0.001 0.000 0.240 30 D C -0.364 175.989 176.300 0.088 0.000 1.062 30 D CA -0.155 53.878 54.000 0.055 0.000 0.832 30 D CB 2.241 43.137 40.800 0.160 0.000 1.135 30 D HN 0.159 8.529 8.370 -0.000 0.000 0.484 31 I N 2.167 122.749 120.570 0.021 0.000 2.464 31 I HA 0.151 4.322 4.170 0.001 0.000 0.277 31 I C 0.616 176.765 176.117 0.052 0.000 1.040 31 I CA -0.553 60.787 61.300 0.066 0.000 1.153 31 I CB 0.758 38.798 38.000 0.067 0.000 1.274 31 I HN 0.453 8.663 8.210 -0.000 0.000 0.469 32 K N 1.474 121.962 120.400 0.146 0.000 3.274 32 K HA -0.190 4.131 4.320 0.001 0.000 0.300 32 K C 0.225 176.786 176.600 -0.065 0.000 1.230 32 K CA 1.002 57.384 56.287 0.159 0.000 0.884 32 K CB -0.877 31.680 32.500 0.095 0.000 1.242 32 K HN 0.617 8.867 8.250 -0.000 0.000 0.467 33 S N -0.824 114.637 115.700 -0.398 0.000 2.537 33 S HA 0.432 4.902 4.470 0.001 0.000 0.271 33 S C 0.130 174.100 174.600 -1.051 0.000 1.148 33 S CA -0.786 56.942 58.200 -0.787 0.000 0.868 33 S CB 1.558 64.544 63.200 -0.357 0.000 1.115 33 S HN 0.183 8.493 8.310 -0.000 0.000 0.461 34 I N 3.293 123.169 120.570 -1.157 0.000 2.614 34 I HA 0.160 4.331 4.170 0.001 0.000 0.258 34 I C 0.973 176.957 176.117 -0.222 0.000 1.189 34 I CA 1.093 62.081 61.300 -0.520 0.000 1.462 34 I CB -0.130 37.723 38.000 -0.245 0.000 1.092 34 I HN 0.573 8.783 8.210 -0.000 0.000 0.442 35 R N 1.362 121.719 120.500 -0.239 0.000 2.309 35 R HA 0.198 4.539 4.340 0.001 0.000 0.331 35 R C 0.377 176.597 176.300 -0.133 0.000 1.116 35 R CA -0.141 55.872 56.100 -0.145 0.000 0.970 35 R CB -0.226 29.992 30.300 -0.138 0.000 1.024 35 R HN 0.201 8.471 8.270 -0.000 0.000 0.472 36 S N 2.756 118.405 115.700 -0.086 0.000 2.558 36 S HA -0.014 4.456 4.470 0.001 0.000 0.287 36 S C 1.184 175.691 174.600 -0.154 0.000 1.321 36 S CA -0.272 57.876 58.200 -0.085 0.000 1.048 36 S CB 0.739 63.936 63.200 -0.005 0.000 0.844 36 S HN 0.459 8.769 8.310 -0.000 0.000 0.512 37 K N 0.872 121.109 120.400 -0.272 0.000 2.243 37 K HA 0.157 4.478 4.320 0.001 0.000 0.201 37 K C 0.706 177.092 176.600 -0.356 0.000 1.051 37 K CA 0.459 56.460 56.287 -0.476 0.000 0.970 37 K CB 0.065 31.871 32.500 -1.157 0.000 0.755 37 K HN 0.471 8.721 8.250 -0.000 0.000 0.465 38 S N 0.190 115.766 115.700 -0.207 0.000 2.543 38 S HA 0.397 4.868 4.470 0.001 0.000 0.271 38 S C -1.112 173.505 174.600 0.028 0.000 1.148 38 S CA -0.653 57.528 58.200 -0.032 0.000 0.914 38 S CB 1.506 64.744 63.200 0.063 0.000 1.096 38 S HN 0.267 8.577 8.310 -0.000 0.000 0.471 39 T N 0.794 115.386 114.554 0.064 0.000 2.906 39 T HA 0.923 5.273 4.350 0.001 0.000 0.295 39 T C -0.639 174.158 174.700 0.161 0.000 1.075 39 T CA -0.694 61.481 62.100 0.124 0.000 1.005 39 T CB 1.609 70.528 68.868 0.085 0.000 1.136 39 T HN 1.138 9.378 8.240 -0.000 0.000 0.498 40 A N 1.561 124.514 122.820 0.222 0.000 2.475 40 A HA 0.778 5.098 4.320 0.001 0.000 0.301 40 A C -0.168 177.613 177.584 0.328 0.000 1.059 40 A CA -1.062 51.110 52.037 0.224 0.000 0.710 40 A CB 1.503 20.597 19.000 0.158 0.000 1.288 40 A HN 1.032 9.182 8.150 -0.000 0.000 0.408 41 R N 1.157 121.800 120.500 0.238 0.000 2.480 41 R HA 0.068 4.409 4.340 0.001 0.000 0.303 41 R C -1.085 175.382 176.300 0.278 0.000 0.985 41 R CA 0.104 56.294 56.100 0.151 0.000 1.051 41 R CB 0.254 30.353 30.300 -0.335 0.000 0.935 41 R HN 0.683 8.953 8.270 -0.000 0.000 0.410 42 W N 7.015 128.414 121.300 0.165 0.000 2.314 42 W HA 0.260 4.921 4.660 0.001 0.000 0.310 42 W C -1.095 175.506 176.519 0.136 0.000 1.075 42 W CA -1.385 56.051 57.345 0.151 0.000 1.253 42 W CB 0.706 30.261 29.460 0.159 0.000 1.238 42 W HN 0.489 8.668 8.180 -0.000 0.000 0.440 43 N N 7.890 126.712 118.700 0.203 0.000 2.482 43 N HA 0.119 4.860 4.740 0.001 0.000 0.242 43 N C 0.056 175.467 175.510 -0.164 0.000 1.100 43 N CA -0.043 52.992 53.050 -0.025 0.000 0.946 43 N CB 0.530 39.038 38.487 0.035 0.000 1.227 43 N HN 0.363 8.743 8.380 -0.000 0.000 0.508 44 M N 1.146 120.427 119.600 -0.531 0.000 2.248 44 M HA 0.023 4.504 4.480 0.001 0.000 0.337 44 M C 0.575 176.657 176.300 -0.363 0.000 1.121 44 M CA 0.652 55.574 55.300 -0.630 0.000 1.155 44 M CB 0.529 32.656 32.600 -0.790 0.000 1.514 44 M HN 0.166 8.456 8.290 -0.000 0.000 0.452 45 Q N 1.921 121.477 119.800 -0.407 0.000 2.849 45 Q HA 0.222 4.563 4.340 0.001 0.000 0.289 45 Q C -0.863 175.020 176.000 -0.196 0.000 1.012 45 Q CA -0.326 55.191 55.803 -0.477 0.000 0.899 45 Q CB 0.823 28.975 28.738 -0.976 0.000 1.235 45 Q HN 0.640 8.910 8.270 -0.000 0.000 0.457 46 T N 0.359 114.855 114.554 -0.096 0.000 2.905 46 T HA 0.103 4.454 4.350 0.001 0.000 0.299 46 T C 1.316 176.022 174.700 0.011 0.000 1.024 46 T CA 1.494 63.597 62.100 0.005 0.000 1.151 46 T CB 0.505 69.364 68.868 -0.015 0.000 0.987 46 T HN 0.915 9.155 8.240 -0.000 0.000 0.535 47 G N 2.365 111.206 108.800 0.068 0.000 2.176 47 G HA2 -0.205 3.755 3.960 0.001 0.000 0.253 47 G HA3 -0.205 3.755 3.960 0.001 0.000 0.253 47 G C 0.068 174.999 174.900 0.051 0.000 0.979 47 G CA -0.170 44.962 45.100 0.053 0.000 0.641 47 G HN 0.595 8.885 8.290 -0.000 0.000 0.530 48 K N 0.358 120.794 120.400 0.061 0.000 2.203 48 K HA 0.665 4.986 4.320 0.001 0.000 0.251 48 K C 0.151 176.844 176.600 0.155 0.000 0.944 48 K CA -0.873 55.460 56.287 0.077 0.000 0.829 48 K CB 2.373 34.872 32.500 -0.003 0.000 1.125 48 K HN 0.105 8.355 8.250 -0.000 0.000 0.430 49 V N 2.106 122.071 119.914 0.084 0.000 2.439 49 V HA 0.246 4.367 4.120 0.001 0.000 0.271 49 V C 0.900 176.877 176.094 -0.196 0.000 1.040 49 V CA -0.161 62.098 62.300 -0.069 0.000 1.002 49 V CB 0.649 32.447 31.823 -0.041 0.000 1.000 49 V HN 0.846 9.036 8.190 -0.000 0.000 0.477 50 G N 3.627 111.931 108.800 -0.828 0.000 2.509 50 G HA2 0.681 4.642 3.960 0.001 0.000 0.328 50 G HA3 0.681 4.642 3.960 0.001 0.000 0.328 50 G C -0.608 173.689 174.900 -1.005 0.000 1.194 50 G CA -0.434 43.912 45.100 -1.257 0.000 0.967 50 G HN 0.579 8.869 8.290 -0.000 0.000 0.488 51 T N -0.284 113.934 114.554 -0.560 0.000 2.881 51 T HA 0.514 4.865 4.350 0.001 0.000 0.290 51 T C -0.742 173.745 174.700 -0.355 0.000 1.000 51 T CA -0.299 61.579 62.100 -0.370 0.000 0.978 51 T CB 1.860 70.562 68.868 -0.277 0.000 0.997 51 T HN 0.362 8.602 8.240 -0.000 0.000 0.443 52 V N 4.331 123.897 119.914 -0.579 0.000 2.495 52 V HA 0.460 4.580 4.120 0.001 0.000 0.298 52 V C -0.584 175.148 176.094 -0.604 0.000 1.031 52 V CA -0.868 61.067 62.300 -0.608 0.000 0.871 52 V CB 1.442 32.685 31.823 -0.966 0.000 0.988 52 V HN 0.858 9.048 8.190 -0.000 0.000 0.432 53 H N 5.126 124.088 119.070 -0.180 0.000 2.489 53 H HA 0.644 5.200 4.556 0.001 0.000 0.343 53 H C -0.941 174.346 175.328 -0.068 0.000 1.086 53 H CA -0.396 55.589 56.048 -0.105 0.000 1.198 53 H CB 2.456 32.174 29.762 -0.073 0.000 1.490 53 H HN 0.461 8.741 8.280 -0.000 0.000 0.504 54 I N 2.144 122.754 120.570 0.068 0.000 2.545 54 I HA 0.279 4.450 4.170 0.001 0.000 0.292 54 I C -0.241 175.915 176.117 0.065 0.000 1.040 54 I CA -0.490 60.860 61.300 0.083 0.000 1.068 54 I CB 2.070 40.131 38.000 0.102 0.000 1.251 54 I HN 0.568 8.778 8.210 -0.000 0.000 0.424 55 S N 4.447 120.152 115.700 0.008 0.000 2.570 55 S HA 0.762 5.233 4.470 0.001 0.000 0.270 55 S C -1.426 173.035 174.600 -0.231 0.000 1.149 55 S CA -0.854 57.253 58.200 -0.156 0.000 0.837 55 S CB 2.243 65.370 63.200 -0.122 0.000 1.124 55 S HN 0.659 8.969 8.310 -0.000 0.000 0.465 56 Y N 1.616 121.528 120.300 -0.647 0.000 2.474 56 Y HA 0.546 5.097 4.550 0.001 0.000 0.326 56 Y C -1.826 173.827 175.900 -0.411 0.000 1.160 56 Y CA -0.473 57.286 58.100 -0.569 0.000 1.056 56 Y CB 1.448 39.394 38.460 -0.857 0.000 1.330 56 Y HN 1.118 9.398 8.280 -0.000 0.000 0.447 57 N N 2.111 120.215 118.700 -0.993 0.000 2.284 57 N HA 0.206 4.947 4.740 0.001 0.000 0.289 57 N C -0.526 174.415 175.510 -0.948 0.000 1.179 57 N CA -0.171 52.409 53.050 -0.784 0.000 0.774 57 N CB 2.003 40.276 38.487 -0.357 0.000 1.548 57 N HN 0.630 9.010 8.380 -0.000 0.000 0.473 58 S N 0.118 115.556 115.700 -0.436 0.000 2.561 58 S HA -0.007 4.464 4.470 0.001 0.000 0.225 58 S C 1.392 175.901 174.600 -0.153 0.000 0.977 58 S CA 0.395 58.467 58.200 -0.213 0.000 0.926 58 S CB -0.281 62.954 63.200 0.058 0.000 0.769 58 S HN 0.381 8.691 8.310 -0.000 0.000 0.533 59 V N 1.725 121.541 119.914 -0.164 0.000 2.436 59 V HA 0.158 4.278 4.120 0.001 0.000 0.240 59 V C 3.051 179.066 176.094 -0.133 0.000 1.040 59 V CA 1.194 63.431 62.300 -0.104 0.000 1.052 59 V CB -1.351 30.427 31.823 -0.074 0.000 0.707 59 V HN 0.568 8.758 8.190 -0.000 0.000 0.469 60 A N -0.774 121.936 122.820 -0.184 0.000 1.940 60 A HA -0.224 4.097 4.320 0.001 0.000 0.219 60 A C 1.426 178.908 177.584 -0.171 0.000 1.176 60 A CA 1.662 53.596 52.037 -0.172 0.000 0.631 60 A CB -0.517 18.368 19.000 -0.191 0.000 0.814 60 A HN 0.604 8.754 8.150 -0.000 0.000 0.446 61 K N -1.730 118.518 120.400 -0.254 0.000 3.077 61 K HA -0.196 4.125 4.320 0.001 0.000 0.264 61 K C 0.028 176.630 176.600 0.004 0.000 1.008 61 K CA 1.051 57.269 56.287 -0.115 0.000 0.740 61 K CB -1.245 31.233 32.500 -0.037 0.000 1.273 61 K HN 0.666 8.916 8.250 -0.000 0.000 0.477 62 R N 1.434 121.908 120.500 -0.043 0.000 2.435 62 R HA 0.273 4.614 4.340 0.001 0.000 0.308 62 R C -1.140 175.265 176.300 0.173 0.000 0.975 62 R CA -0.858 55.272 56.100 0.050 0.000 0.867 62 R CB 0.804 31.093 30.300 -0.018 0.000 1.171 62 R HN 0.111 8.381 8.270 -0.000 0.000 0.470 63 L N 3.359 124.760 121.223 0.297 0.000 2.313 63 L HA 0.419 4.760 4.340 0.001 0.000 0.282 63 L C -1.094 175.889 176.870 0.189 0.000 1.092 63 L CA 0.691 55.708 54.840 0.294 0.000 0.831 63 L CB 1.449 43.673 42.059 0.275 0.000 1.159 63 L HN 0.578 8.808 8.230 -0.000 0.000 0.442 64 S N 3.448 119.228 115.700 0.133 0.000 2.568 64 S HA 0.977 5.447 4.470 0.001 0.000 0.293 64 S C -0.899 173.760 174.600 0.098 0.000 1.089 64 S CA -0.339 57.921 58.200 0.099 0.000 0.945 64 S CB 1.873 65.103 63.200 0.050 0.000 1.077 64 S HN 0.963 9.273 8.310 -0.000 0.000 0.485 65 A N 1.053 123.923 122.820 0.084 0.000 2.549 65 A HA 0.845 5.166 4.320 0.001 0.000 0.297 65 A C -1.526 176.081 177.584 0.037 0.000 1.061 65 A CA -0.725 51.351 52.037 0.065 0.000 0.690 65 A CB 1.617 20.663 19.000 0.075 0.000 1.287 65 A HN 0.830 8.980 8.150 -0.000 0.000 0.402 66 V N 2.420 122.347 119.914 0.022 0.000 2.638 66 V HA 0.688 4.809 4.120 0.001 0.000 0.306 66 V C -1.173 174.900 176.094 -0.035 0.000 1.052 66 V CA -0.421 61.889 62.300 0.017 0.000 0.885 66 V CB 1.893 33.744 31.823 0.047 0.000 0.999 66 V HN 0.930 9.120 8.190 -0.000 0.000 0.424 67 V N 5.481 125.360 119.914 -0.058 0.000 2.483 67 V HA 0.844 4.965 4.120 0.001 0.000 0.295 67 V C 0.105 176.175 176.094 -0.039 0.000 1.035 67 V CA -0.095 62.138 62.300 -0.110 0.000 0.896 67 V CB 1.637 33.330 31.823 -0.218 0.000 0.986 67 V HN 0.986 9.176 8.190 -0.000 0.000 0.447 68 S N 2.755 118.372 115.700 -0.138 0.000 2.596 68 S HA 0.833 5.304 4.470 0.001 0.000 0.270 68 S C -1.986 172.420 174.600 -0.324 0.000 1.155 68 S CA -0.441 57.707 58.200 -0.087 0.000 0.827 68 S CB 1.605 64.813 63.200 0.013 0.000 1.130 68 S HN 0.510 8.820 8.310 -0.000 0.000 0.467 69 Y N 0.330 120.671 120.300 0.068 0.000 2.553 69 Y HA 0.478 5.029 4.550 0.001 0.000 0.347 69 Y C 0.556 176.471 175.900 0.025 0.000 1.019 69 Y CA -0.956 57.161 58.100 0.028 0.000 1.032 69 Y CB 1.770 40.256 38.460 0.043 0.000 1.284 69 Y HN 0.544 8.824 8.280 -0.000 0.000 0.466 70 S N 1.345 117.147 115.700 0.171 0.000 2.626 70 S HA 0.262 4.732 4.470 0.001 0.000 0.303 70 S C 1.081 175.743 174.600 0.104 0.000 1.256 70 S CA 1.397 59.661 58.200 0.106 0.000 1.069 70 S CB -0.302 62.944 63.200 0.077 0.000 0.807 70 S HN 1.179 9.489 8.310 -0.000 0.000 0.500 71 G N 3.127 111.974 108.800 0.078 0.000 2.179 71 G HA2 -0.255 3.706 3.960 0.001 0.000 0.260 71 G HA3 -0.255 3.706 3.960 0.001 0.000 0.260 71 G C 0.212 175.153 174.900 0.068 0.000 0.977 71 G CA 0.290 45.426 45.100 0.060 0.000 0.641 71 G HN 0.737 9.027 8.290 -0.000 0.000 0.533 72 S N -0.623 115.141 115.700 0.107 0.000 2.747 72 S HA 0.807 5.277 4.470 0.001 0.000 0.300 72 S C 0.413 175.082 174.600 0.115 0.000 1.121 72 S CA 0.126 58.395 58.200 0.116 0.000 0.995 72 S CB 1.767 65.073 63.200 0.177 0.000 1.113 72 S HN 1.412 9.722 8.310 -0.000 0.000 0.547 73 S N 0.574 116.339 115.700 0.108 0.000 2.616 73 S HA 0.596 5.066 4.470 0.001 0.000 0.277 73 S C -0.152 174.528 174.600 0.133 0.000 1.234 73 S CA -0.625 57.633 58.200 0.097 0.000 1.028 73 S CB 0.724 63.966 63.200 0.070 0.000 0.988 73 S HN 0.520 8.830 8.310 -0.000 0.000 0.522 74 S N 1.329 117.093 115.700 0.107 0.000 2.616 74 S HA 0.575 5.045 4.470 0.001 0.000 0.277 74 S C -0.216 174.451 174.600 0.112 0.000 1.234 74 S CA -0.684 57.583 58.200 0.112 0.000 1.028 74 S CB 1.234 64.479 63.200 0.075 0.000 0.988 74 S HN 0.825 9.135 8.310 -0.000 0.000 0.522 75 T N 2.436 117.065 114.554 0.126 0.000 2.807 75 T HA 0.648 4.999 4.350 0.001 0.000 0.279 75 T C 0.065 174.812 174.700 0.079 0.000 0.993 75 T CA -0.674 61.497 62.100 0.118 0.000 0.970 75 T CB 1.350 70.326 68.868 0.180 0.000 0.950 75 T HN 0.761 9.001 8.240 -0.000 0.000 0.441 76 T N -0.449 114.148 114.554 0.072 0.000 2.924 76 T HA 0.845 5.196 4.350 0.001 0.000 0.291 76 T C -0.838 173.906 174.700 0.074 0.000 1.045 76 T CA -0.878 61.258 62.100 0.060 0.000 1.015 76 T CB 1.827 70.725 68.868 0.050 0.000 1.103 76 T HN 0.472 8.712 8.240 -0.000 0.000 0.496 77 V N 0.647 120.606 119.914 0.076 0.000 2.932 77 V HA 0.754 4.875 4.120 0.001 0.000 0.307 77 V C -1.227 174.932 176.094 0.108 0.000 1.147 77 V CA -0.274 62.084 62.300 0.096 0.000 0.951 77 V CB 2.378 34.263 31.823 0.103 0.000 1.031 77 V HN 1.230 9.420 8.190 -0.000 0.000 0.426 78 S N 4.258 120.035 115.700 0.130 0.000 2.564 78 S HA 0.830 5.301 4.470 0.001 0.000 0.274 78 S C -2.091 172.652 174.600 0.239 0.000 1.124 78 S CA -0.432 57.858 58.200 0.150 0.000 0.869 78 S CB 1.918 65.179 63.200 0.100 0.000 1.105 78 S HN 0.846 9.156 8.310 -0.000 0.000 0.472 79 Y N 1.342 121.688 120.300 0.077 0.000 2.441 79 Y HA 0.381 4.931 4.550 0.001 0.000 0.334 79 Y C -1.804 174.145 175.900 0.082 0.000 1.061 79 Y CA -1.059 57.085 58.100 0.072 0.000 1.032 79 Y CB 1.230 39.735 38.460 0.075 0.000 1.266 79 Y HN 0.523 8.803 8.280 -0.000 0.000 0.441 80 D N 4.789 124.900 120.400 -0.482 0.000 2.316 80 D HA 0.467 5.108 4.640 0.001 0.000 0.245 80 D C -1.083 174.906 176.300 -0.518 0.000 1.171 80 D CA 0.457 54.247 54.000 -0.350 0.000 0.856 80 D CB 1.662 42.319 40.800 -0.239 0.000 1.090 80 D HN 0.375 8.745 8.370 -0.000 0.000 0.476 81 V N 2.253 122.052 119.914 -0.192 0.000 3.000 81 V HA 0.206 4.327 4.120 0.001 0.000 0.300 81 V C -1.782 174.347 176.094 0.059 0.000 1.251 81 V CA -0.887 61.359 62.300 -0.090 0.000 0.972 81 V CB 2.632 34.482 31.823 0.045 0.000 1.065 81 V HN 0.327 8.517 8.190 -0.000 0.000 0.431 82 D N 5.173 125.586 120.400 0.022 0.000 2.411 82 D HA 0.295 4.935 4.640 0.001 0.000 0.225 82 D C 1.156 177.444 176.300 -0.020 0.000 1.156 82 D CA -0.080 53.937 54.000 0.029 0.000 0.874 82 D CB 1.158 41.932 40.800 -0.042 0.000 1.034 82 D HN 0.586 8.956 8.370 -0.000 0.000 0.502 83 L N 3.105 124.303 121.223 -0.043 0.000 2.265 83 L HA -0.159 4.182 4.340 0.001 0.000 0.215 83 L C 1.487 178.296 176.870 -0.101 0.000 1.117 83 L CA 0.569 55.328 54.840 -0.135 0.000 0.782 83 L CB -0.218 41.621 42.059 -0.366 0.000 0.914 83 L HN 0.367 8.597 8.230 -0.000 0.000 0.441 84 N N -0.159 118.434 118.700 -0.178 0.000 2.457 84 N HA -0.097 4.644 4.740 0.001 0.000 0.180 84 N C 1.234 176.659 175.510 -0.140 0.000 1.050 84 N CA 0.657 53.562 53.050 -0.241 0.000 0.906 84 N CB -0.312 37.787 38.487 -0.647 0.000 0.968 84 N HN 0.383 8.763 8.380 -0.000 0.000 0.445 85 N N 0.312 118.951 118.700 -0.102 0.000 2.463 85 N HA 0.007 4.748 4.740 0.001 0.000 0.181 85 N C 1.572 177.077 175.510 -0.008 0.000 1.078 85 N CA 0.275 53.299 53.050 -0.043 0.000 0.902 85 N CB 0.307 38.775 38.487 -0.033 0.000 0.970 85 N HN 0.102 8.482 8.380 -0.000 0.000 0.451 86 V N 0.257 120.166 119.914 -0.008 0.000 2.581 86 V HA 0.167 4.288 4.120 0.001 0.000 0.240 86 V C 1.047 177.158 176.094 0.028 0.000 1.054 86 V CA 0.619 62.932 62.300 0.021 0.000 1.076 86 V CB 0.160 32.002 31.823 0.032 0.000 0.748 86 V HN 0.039 8.229 8.190 -0.000 0.000 0.474 87 L N 1.643 122.877 121.223 0.018 0.000 2.331 87 L HA 0.456 4.797 4.340 0.001 0.000 0.275 87 L C -2.269 174.639 176.870 0.063 0.000 1.022 87 L CA -1.902 52.963 54.840 0.041 0.000 0.812 87 L CB 1.704 43.784 42.059 0.035 0.000 1.257 87 L HN 0.086 8.316 8.230 -0.000 0.000 0.435 88 P HA 0.049 4.469 4.420 -0.000 0.000 0.272 88 P C -0.110 177.288 177.300 0.164 0.000 1.254 88 P CA -0.193 62.986 63.100 0.132 0.000 0.795 88 P CB 0.733 32.519 31.700 0.143 0.000 1.022 89 E N -0.899 119.428 120.200 0.212 0.000 2.158 89 E HA -0.082 4.269 4.350 0.001 0.000 0.191 89 E C -0.122 176.543 176.600 0.109 0.000 0.982 89 E CA 1.046 57.565 56.400 0.198 0.000 0.823 89 E CB 0.032 29.879 29.700 0.245 0.000 0.766 89 E HN 0.457 8.817 8.360 -0.000 0.000 0.468 90 W N 0.972 122.394 121.300 0.204 0.000 2.529 90 W HA 0.345 5.005 4.660 0.001 0.000 0.321 90 W C -0.273 176.300 176.519 0.090 0.000 1.047 90 W CA -0.733 56.702 57.345 0.151 0.000 1.216 90 W CB 1.362 30.858 29.460 0.060 0.000 1.357 90 W HN -0.268 7.912 8.180 -0.000 0.000 0.489 91 V N 0.412 120.501 119.914 0.292 0.000 3.160 91 V HA 0.689 4.809 4.120 0.001 0.000 0.310 91 V C -0.643 175.510 176.094 0.098 0.000 1.181 91 V CA -1.840 60.543 62.300 0.139 0.000 1.047 91 V CB 2.088 33.940 31.823 0.048 0.000 1.068 91 V HN 0.559 8.749 8.190 -0.000 0.000 0.441 92 R N 0.329 120.823 120.500 -0.011 0.000 2.664 92 R HA 0.831 5.172 4.340 0.001 0.000 0.286 92 R C -0.842 175.308 176.300 -0.251 0.000 0.967 92 R CA -0.571 55.482 56.100 -0.078 0.000 0.933 92 R CB 2.174 32.421 30.300 -0.088 0.000 1.146 92 R HN 0.971 9.241 8.270 -0.000 0.000 0.468 93 V N -1.040 118.702 119.914 -0.286 0.000 2.732 93 V HA 1.009 5.130 4.120 0.001 0.000 0.310 93 V C 0.082 175.962 176.094 -0.357 0.000 1.053 93 V CA -0.394 61.613 62.300 -0.489 0.000 0.957 93 V CB 1.636 33.130 31.823 -0.547 0.000 1.018 93 V HN 0.910 9.100 8.190 -0.000 0.000 0.452 94 G N 1.838 110.210 108.800 -0.714 0.000 2.550 94 G HA2 0.624 4.584 3.960 0.001 0.000 0.293 94 G HA3 0.624 4.584 3.960 0.001 0.000 0.293 94 G C -1.977 172.512 174.900 -0.684 0.000 1.402 94 G CA -0.973 43.755 45.100 -0.620 0.000 0.784 94 G HN 0.893 9.183 8.290 -0.000 0.000 0.482 95 L N 0.798 121.766 121.223 -0.425 0.000 2.401 95 L HA 0.779 5.119 4.340 0.001 0.000 0.266 95 L C 0.088 176.921 176.870 -0.061 0.000 0.991 95 L CA -0.910 53.713 54.840 -0.362 0.000 0.818 95 L CB 2.413 44.000 42.059 -0.788 0.000 1.321 95 L HN 0.838 9.068 8.230 -0.000 0.000 0.413 96 S N 1.596 117.240 115.700 -0.093 0.000 2.595 96 S HA 0.991 5.461 4.470 0.001 0.000 0.281 96 S C -1.031 173.460 174.600 -0.181 0.000 1.117 96 S CA -0.443 57.661 58.200 -0.159 0.000 0.873 96 S CB 2.694 65.691 63.200 -0.338 0.000 1.108 96 S HN 0.952 9.262 8.310 -0.000 0.000 0.477 97 A N 1.058 123.786 122.820 -0.153 0.000 2.605 97 A HA 0.888 5.209 4.320 0.001 0.000 0.294 97 A C -0.363 177.171 177.584 -0.084 0.000 1.062 97 A CA -0.360 51.611 52.037 -0.110 0.000 0.682 97 A CB 1.086 20.028 19.000 -0.097 0.000 1.278 97 A HN 1.864 10.014 8.150 -0.000 0.000 0.410 98 T N -1.368 113.154 114.554 -0.053 0.000 2.865 98 T HA 0.914 5.264 4.350 0.001 0.000 0.294 98 T C -0.128 174.562 174.700 -0.016 0.000 1.119 98 T CA -0.030 62.045 62.100 -0.040 0.000 1.007 98 T CB 1.564 70.405 68.868 -0.044 0.000 1.225 98 T HN 1.893 10.133 8.240 -0.000 0.000 0.515 99 T N -2.346 112.194 114.554 -0.023 0.000 2.887 99 T HA 0.885 5.236 4.350 0.001 0.000 0.292 99 T C 0.343 175.008 174.700 -0.058 0.000 1.087 99 T CA -0.212 61.873 62.100 -0.025 0.000 1.009 99 T CB 1.645 70.509 68.868 -0.007 0.000 1.203 99 T HN 1.169 9.409 8.240 -0.000 0.000 0.518 100 G N -0.154 108.588 108.800 -0.097 0.000 3.418 100 G HA2 0.452 4.413 3.960 0.001 0.000 0.179 100 G HA3 0.452 4.413 3.960 0.001 0.000 0.179 100 G C 0.374 175.155 174.900 -0.198 0.000 1.212 100 G CA -0.102 44.910 45.100 -0.146 0.000 0.935 100 G HN 0.743 9.033 8.290 -0.000 0.000 0.716 101 L N -0.328 120.692 121.223 -0.339 0.000 2.046 101 L HA 0.287 4.627 4.340 0.001 0.000 0.208 101 L C 0.591 177.166 176.870 -0.491 0.000 1.077 101 L CA 1.088 55.636 54.840 -0.488 0.000 0.747 101 L CB -0.699 40.900 42.059 -0.767 0.000 0.896 101 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 102 Y N -0.012 120.174 120.300 -0.189 0.000 2.545 102 Y HA 0.542 5.093 4.550 0.001 0.000 0.324 102 Y C 0.382 176.222 175.900 -0.101 0.000 1.220 102 Y CA -1.296 56.720 58.100 -0.140 0.000 1.290 102 Y CB 0.530 38.884 38.460 -0.176 0.000 1.355 102 Y HN 0.015 8.295 8.280 -0.000 0.000 0.516 103 K N -0.133 120.346 120.400 0.131 0.000 2.522 103 K HA 0.767 5.087 4.320 0.001 0.000 0.275 103 K C -1.731 174.913 176.600 0.074 0.000 1.006 103 K CA -0.996 55.333 56.287 0.070 0.000 0.890 103 K CB 3.386 35.918 32.500 0.053 0.000 1.475 103 K HN 0.792 9.042 8.250 -0.000 0.000 0.441 104 E N -0.237 120.004 120.200 0.068 0.000 2.409 104 E HA 0.165 4.516 4.350 0.001 0.000 0.280 104 E C -1.376 175.270 176.600 0.076 0.000 1.079 104 E CA -1.026 55.422 56.400 0.079 0.000 0.840 104 E CB 1.335 31.096 29.700 0.100 0.000 1.309 104 E HN 0.715 9.075 8.360 -0.000 0.000 0.447 105 T N -0.451 114.155 114.554 0.087 0.000 2.897 105 T HA 0.371 4.722 4.350 0.001 0.000 0.294 105 T C -0.177 174.577 174.700 0.091 0.000 1.004 105 T CA -0.620 61.528 62.100 0.081 0.000 1.106 105 T CB 0.168 69.085 68.868 0.083 0.000 0.949 105 T HN 0.499 8.739 8.240 -0.000 0.000 0.520 106 N N 1.622 120.354 118.700 0.053 0.000 3.012 106 N HA 0.275 5.016 4.740 0.001 0.000 0.270 106 N C -0.979 174.536 175.510 0.008 0.000 1.469 106 N CA -0.514 52.561 53.050 0.042 0.000 0.928 106 N CB 0.922 39.406 38.487 -0.005 0.000 1.219 106 N HN 0.590 8.970 8.380 -0.000 0.000 0.492 107 T N 1.547 116.144 114.554 0.071 0.000 2.799 107 T HA 0.373 4.724 4.350 0.001 0.000 0.286 107 T C 0.057 174.813 174.700 0.093 0.000 0.973 107 T CA -0.281 61.839 62.100 0.032 0.000 1.035 107 T CB 1.102 70.007 68.868 0.061 0.000 0.932 107 T HN 0.101 8.341 8.240 -0.000 0.000 0.469 108 I N 4.681 125.256 120.570 0.008 0.000 2.362 108 I HA 0.229 4.400 4.170 0.001 0.000 0.289 108 I C 0.192 176.457 176.117 0.247 0.000 0.994 108 I CA -0.693 60.673 61.300 0.110 0.000 1.158 108 I CB 1.398 39.346 38.000 -0.086 0.000 1.315 108 I HN 0.486 8.696 8.210 -0.000 0.000 0.451 109 L N 4.182 125.606 121.223 0.334 0.000 2.354 109 L HA 0.155 4.495 4.340 0.001 0.000 0.212 109 L C 0.897 178.021 176.870 0.424 0.000 1.091 109 L CA 0.621 55.668 54.840 0.345 0.000 0.828 109 L CB -0.621 41.571 42.059 0.221 0.000 0.973 109 L HN 0.780 9.010 8.230 -0.000 0.000 0.461 110 S N -2.846 113.126 115.700 0.453 0.000 2.552 110 S HA 0.550 5.021 4.470 0.001 0.000 0.272 110 S C -2.049 172.868 174.600 0.528 0.000 1.150 110 S CA -0.766 57.622 58.200 0.313 0.000 0.849 110 S CB 1.758 65.015 63.200 0.096 0.000 1.113 110 S HN 0.102 8.412 8.310 -0.000 0.000 0.458 111 W N 2.613 124.069 121.300 0.261 0.000 3.439 111 W HA 0.704 5.364 4.660 0.001 0.000 0.323 111 W C -1.268 175.385 176.519 0.224 0.000 1.174 111 W CA -0.168 57.412 57.345 0.392 0.000 1.224 111 W CB 1.645 31.500 29.460 0.657 0.000 1.348 111 W HN 1.338 9.518 8.180 -0.000 0.000 0.498 112 S N 4.613 120.373 115.700 0.100 0.000 2.595 112 S HA 0.894 5.365 4.470 0.001 0.000 0.281 112 S C -1.697 172.593 174.600 -0.516 0.000 1.117 112 S CA -0.641 57.334 58.200 -0.374 0.000 0.873 112 S CB 2.671 65.742 63.200 -0.217 0.000 1.108 112 S HN 0.725 9.035 8.310 -0.000 0.000 0.477 113 F N 0.621 119.854 119.950 -1.196 0.000 2.615 113 F HA 0.651 5.179 4.527 0.001 0.000 0.312 113 F C -1.316 174.072 175.800 -0.687 0.000 1.119 113 F CA 0.011 57.428 58.000 -0.971 0.000 0.979 113 F CB 2.026 40.166 39.000 -1.432 0.000 1.266 113 F HN 0.764 9.064 8.300 -0.000 0.000 0.444 114 T N 3.724 117.711 114.554 -0.945 0.000 2.861 114 T HA 0.589 4.940 4.350 0.001 0.000 0.287 114 T C -1.257 172.894 174.700 -0.915 0.000 1.003 114 T CA -0.752 60.942 62.100 -0.677 0.000 0.977 114 T CB 1.661 70.367 68.868 -0.270 0.000 0.996 114 T HN 0.607 8.847 8.240 -0.000 0.000 0.448 115 S N 2.211 117.594 115.700 -0.528 0.000 2.542 115 S HA 0.756 5.227 4.470 0.001 0.000 0.293 115 S C -1.537 173.036 174.600 -0.046 0.000 1.089 115 S CA -0.812 57.275 58.200 -0.189 0.000 0.961 115 S CB 0.844 64.087 63.200 0.071 0.000 1.062 115 S HN 0.610 8.920 8.310 -0.000 0.000 0.483 116 K N 1.970 122.372 120.400 0.004 0.000 2.501 116 K HA 0.553 4.873 4.320 0.001 0.000 0.252 116 K C -2.006 174.600 176.600 0.011 0.000 0.934 116 K CA -0.826 55.459 56.287 -0.004 0.000 0.797 116 K CB 2.030 34.511 32.500 -0.032 0.000 1.270 116 K HN 0.406 8.656 8.250 -0.000 0.000 0.431 117 L N 2.992 124.199 121.223 -0.027 0.000 2.372 117 L HA 0.440 4.781 4.340 0.001 0.000 0.274 117 L C -1.488 175.323 176.870 -0.098 0.000 0.988 117 L CA -0.279 54.513 54.840 -0.079 0.000 0.833 117 L CB 1.242 43.200 42.059 -0.167 0.000 1.236 117 L HN 0.502 8.732 8.230 -0.000 0.000 0.410 118 K N 2.615 122.955 120.400 -0.100 0.000 2.259 118 K HA 0.823 5.144 4.320 0.001 0.000 0.249 118 K C -0.113 176.413 176.600 -0.124 0.000 0.942 118 K CA -0.568 55.665 56.287 -0.090 0.000 0.816 118 K CB 2.127 34.591 32.500 -0.059 0.000 1.155 118 K HN 0.725 8.975 8.250 -0.000 0.000 0.428 119 T N -2.107 112.385 114.554 -0.103 0.000 2.548 119 T HA 0.310 4.661 4.350 0.001 0.000 0.214 119 T C -0.538 174.123 174.700 -0.066 0.000 0.873 119 T CA -0.725 61.314 62.100 -0.103 0.000 1.180 119 T CB 0.187 68.991 68.868 -0.107 0.000 1.960 119 T HN 0.559 8.799 8.240 -0.000 0.000 0.505 120 N N 0.142 118.809 118.700 -0.054 0.000 2.733 120 N HA 0.422 5.163 4.740 0.001 0.000 0.271 120 N C -0.622 174.869 175.510 -0.032 0.000 1.720 120 N CA -0.646 52.381 53.050 -0.039 0.000 0.803 120 N CB 0.950 39.419 38.487 -0.031 0.000 1.208 120 N HN 0.408 8.788 8.380 -0.000 0.000 0.498 121 S N 0.157 115.838 115.700 -0.032 0.000 2.540 121 S HA 0.135 4.605 4.470 0.001 0.000 0.222 121 S C 1.390 175.978 174.600 -0.020 0.000 1.008 121 S CA -0.088 58.098 58.200 -0.023 0.000 0.939 121 S CB -0.231 62.957 63.200 -0.021 0.000 0.865 121 S HN 0.671 8.981 8.310 -0.000 0.000 0.499 122 I N -0.930 119.626 120.570 -0.024 0.000 3.452 122 I HA -0.385 3.786 4.170 0.001 0.000 0.203 122 I C 0.771 176.878 176.117 -0.016 0.000 0.483 122 I CA 1.533 62.820 61.300 -0.022 0.000 1.279 122 I CB -1.568 36.421 38.000 -0.019 0.000 1.057 122 I HN 0.264 8.474 8.210 -0.000 0.000 0.309 123 A N 0.023 122.835 122.820 -0.014 0.000 2.793 123 A HA 0.558 4.878 4.320 0.001 0.000 0.301 123 A C -0.088 177.492 177.584 -0.007 0.000 1.172 123 A CA 0.468 52.502 52.037 -0.007 0.000 0.973 123 A CB -0.074 18.924 19.000 -0.003 0.000 1.164 123 A HN 0.531 8.681 8.150 -0.000 0.000 0.542 124 D N 0.483 120.872 120.400 -0.017 0.000 2.478 124 D HA 0.454 5.094 4.640 0.001 0.000 0.240 124 D C -0.644 175.633 176.300 -0.038 0.000 1.364 124 D CA 0.217 54.203 54.000 -0.022 0.000 0.987 124 D CB 0.701 41.481 40.800 -0.033 0.000 1.328 124 D HN 0.558 8.928 8.370 -0.000 0.000 0.584 125 E N 2.610 122.794 120.200 -0.026 0.000 2.348 125 E HA 0.236 4.587 4.350 0.001 0.000 0.270 125 E C -2.046 174.553 176.600 -0.001 0.000 1.255 125 E CA -0.952 55.426 56.400 -0.036 0.000 0.915 125 E CB 0.500 30.179 29.700 -0.036 0.000 1.395 125 E HN 0.199 8.559 8.360 -0.000 0.000 0.402 126 N N 0.620 119.317 118.700 -0.006 0.000 2.555 126 N HA 0.325 5.065 4.740 0.001 0.000 0.265 126 N C -2.107 173.418 175.510 0.024 0.000 1.135 126 N CA 0.193 53.262 53.050 0.032 0.000 0.925 126 N CB 2.135 40.655 38.487 0.055 0.000 1.662 126 N HN 0.749 9.129 8.380 -0.000 0.000 0.489 127 S N 1.740 117.467 115.700 0.045 0.000 2.569 127 S HA 0.793 5.264 4.470 0.001 0.000 0.280 127 S C -1.274 173.378 174.600 0.086 0.000 1.111 127 S CA -0.779 57.446 58.200 0.043 0.000 0.887 127 S CB 2.157 65.360 63.200 0.006 0.000 1.095 127 S HN 0.533 8.843 8.310 -0.000 0.000 0.476 128 L N 1.704 122.982 121.223 0.090 0.000 2.408 128 L HA 0.779 5.120 4.340 0.001 0.000 0.268 128 L C -1.453 175.455 176.870 0.063 0.000 0.986 128 L CA -0.179 54.741 54.840 0.133 0.000 0.820 128 L CB 2.065 44.270 42.059 0.244 0.000 1.303 128 L HN 1.100 9.330 8.230 -0.000 0.000 0.411 129 H N 3.987 123.014 119.070 -0.070 0.000 2.759 129 H HA 0.711 5.268 4.556 0.001 0.000 0.354 129 H C -1.739 173.481 175.328 -0.180 0.000 1.074 129 H CA -0.635 55.285 56.048 -0.213 0.000 1.226 129 H CB 1.365 31.015 29.762 -0.187 0.000 1.648 129 H HN 0.509 8.789 8.280 -0.000 0.000 0.529 130 F N 1.619 120.985 119.950 -0.975 0.000 2.599 130 F HA 0.764 5.291 4.527 0.001 0.000 0.311 130 F C -1.186 173.872 175.800 -1.237 0.000 1.076 130 F CA -1.038 56.313 58.000 -1.082 0.000 0.937 130 F CB 1.854 40.153 39.000 -1.168 0.000 1.282 130 F HN 0.484 8.784 8.300 -0.000 0.000 0.460 131 S N 1.871 117.111 115.700 -0.766 0.000 2.614 131 S HA 0.755 5.226 4.470 0.001 0.000 0.275 131 S C -2.019 172.203 174.600 -0.630 0.000 1.161 131 S CA -0.425 57.425 58.200 -0.583 0.000 0.969 131 S CB 0.512 63.556 63.200 -0.259 0.000 1.059 131 S HN 0.516 8.826 8.310 -0.000 0.000 0.482 132 F N 3.524 123.370 119.950 -0.174 0.000 2.460 132 F HA 0.417 4.944 4.527 0.001 0.000 0.341 132 F C 0.037 175.544 175.800 -0.489 0.000 1.130 132 F CA -0.649 57.152 58.000 -0.332 0.000 0.962 132 F CB 1.369 40.032 39.000 -0.562 0.000 1.171 132 F HN 0.565 8.865 8.300 -0.000 0.000 0.436 133 H N 2.957 122.012 119.070 -0.025 0.000 2.581 133 H HA 0.496 5.053 4.556 0.001 0.000 0.308 133 H C -0.377 174.903 175.328 -0.079 0.000 1.040 133 H CA -0.830 55.206 56.048 -0.021 0.000 1.231 133 H CB 0.928 30.703 29.762 0.022 0.000 1.396 133 H HN 0.507 8.787 8.280 -0.000 0.000 0.467 134 K N 1.060 121.451 120.400 -0.015 0.000 1.209 134 K HA -0.223 4.098 4.320 0.001 0.000 0.657 134 K C -1.351 175.063 176.600 -0.310 0.000 2.545 134 K CA 0.730 57.012 56.287 -0.009 0.000 1.858 134 K CB -0.094 32.473 32.500 0.111 0.000 2.729 134 K HN 0.356 8.606 8.250 -0.000 0.000 0.249 135 F N 0.047 120.040 119.950 0.071 0.000 2.563 135 F HA 0.361 4.888 4.527 0.001 0.000 0.316 135 F C 0.618 176.423 175.800 0.008 0.000 1.076 135 F CA -0.627 57.371 58.000 -0.004 0.000 0.921 135 F CB 2.052 41.000 39.000 -0.086 0.000 1.209 135 F HN 0.393 8.693 8.300 -0.000 0.000 0.462 136 S N 0.939 116.732 115.700 0.154 0.000 2.585 136 S HA 0.078 4.549 4.470 0.001 0.000 0.273 136 S C 1.006 175.663 174.600 0.095 0.000 1.339 136 S CA -0.522 57.740 58.200 0.103 0.000 1.028 136 S CB 0.924 64.171 63.200 0.077 0.000 0.906 136 S HN 0.636 8.946 8.310 -0.000 0.000 0.528 137 Q N 1.825 121.671 119.800 0.077 0.000 2.226 137 Q HA -0.005 4.335 4.340 0.001 0.000 0.204 137 Q C 0.237 176.271 176.000 0.056 0.000 0.975 137 Q CA 1.065 56.910 55.803 0.070 0.000 0.866 137 Q CB -0.526 28.249 28.738 0.062 0.000 0.915 137 Q HN 0.667 8.937 8.270 -0.000 0.000 0.440 138 N N 0.757 119.484 118.700 0.045 0.000 2.804 138 N HA 0.147 4.887 4.740 0.001 0.000 0.251 138 N C -2.711 172.811 175.510 0.021 0.000 1.250 138 N CA -1.941 51.126 53.050 0.029 0.000 0.820 138 N CB 1.144 39.642 38.487 0.019 0.000 1.156 138 N HN -0.162 8.218 8.380 -0.000 0.000 0.512 139 P HA 0.202 4.622 4.420 -0.000 0.000 0.238 139 P C -0.014 177.276 177.300 -0.016 0.000 1.794 139 P CA -0.141 62.962 63.100 0.006 0.000 1.088 139 P CB 0.306 32.006 31.700 0.001 0.000 1.923 140 K N 1.151 121.530 120.400 -0.036 0.000 2.442 140 K HA -0.096 4.225 4.320 0.001 0.000 0.198 140 K C 0.713 177.197 176.600 -0.193 0.000 1.042 140 K CA 1.150 57.377 56.287 -0.100 0.000 0.958 140 K CB -0.005 32.424 32.500 -0.118 0.000 0.766 140 K HN 0.423 8.673 8.250 -0.000 0.000 0.474 141 D N 0.088 120.418 120.400 -0.118 0.000 2.342 141 D HA 0.023 4.664 4.640 0.001 0.000 0.221 141 D C 0.171 176.415 176.300 -0.093 0.000 1.101 141 D CA 0.063 53.963 54.000 -0.167 0.000 0.837 141 D CB -0.006 40.776 40.800 -0.031 0.000 0.938 141 D HN 0.035 8.405 8.370 -0.000 0.000 0.508 142 L N 0.358 121.579 121.223 -0.002 0.000 2.362 142 L HA 0.475 4.815 4.340 0.001 0.000 0.271 142 L C -0.267 176.643 176.870 0.065 0.000 1.002 142 L CA -1.145 53.711 54.840 0.027 0.000 0.818 142 L CB 2.546 44.602 42.059 -0.005 0.000 1.298 142 L HN -0.218 8.012 8.230 -0.000 0.000 0.420 143 I N 4.049 124.634 120.570 0.026 0.000 2.291 143 I HA 0.243 4.414 4.170 0.001 0.000 0.290 143 I C -0.322 175.788 176.117 -0.012 0.000 1.050 143 I CA -0.160 61.136 61.300 -0.008 0.000 1.245 143 I CB 0.711 38.654 38.000 -0.095 0.000 1.405 143 I HN 0.305 8.515 8.210 -0.000 0.000 0.478 144 L N 7.367 128.585 121.223 -0.008 0.000 2.292 144 L HA 0.424 4.765 4.340 0.001 0.000 0.284 144 L C -0.100 176.760 176.870 -0.016 0.000 1.065 144 L CA -0.291 54.539 54.840 -0.018 0.000 0.806 144 L CB 0.669 42.722 42.059 -0.010 0.000 1.175 144 L HN 0.578 8.808 8.230 -0.000 0.000 0.431 145 Q N 1.540 121.327 119.800 -0.022 0.000 2.394 145 Q HA 0.589 4.929 4.340 0.001 0.000 0.273 145 Q C 0.493 176.476 176.000 -0.029 0.000 1.089 145 Q CA -0.168 55.620 55.803 -0.026 0.000 0.812 145 Q CB 2.496 31.217 28.738 -0.029 0.000 1.353 145 Q HN 0.805 9.075 8.270 -0.000 0.000 0.438 146 G N 2.171 110.953 108.800 -0.030 0.000 2.583 146 G HA2 -0.335 3.625 3.960 0.001 0.000 0.292 146 G HA3 -0.335 3.625 3.960 0.001 0.000 0.292 146 G C 0.041 174.935 174.900 -0.009 0.000 1.203 146 G CA 0.481 45.564 45.100 -0.028 0.000 0.987 146 G HN 0.755 9.045 8.290 -0.000 0.000 0.554 147 D N 2.030 122.432 120.400 0.002 0.000 2.340 147 D HA 0.420 5.060 4.640 0.001 0.000 0.220 147 D C 1.479 177.860 176.300 0.135 0.000 1.039 147 D CA 0.899 54.924 54.000 0.042 0.000 0.866 147 D CB -0.238 40.584 40.800 0.036 0.000 0.913 147 D HN 0.849 9.219 8.370 -0.000 0.000 0.523 148 A N 1.004 123.870 122.820 0.076 0.000 2.511 148 A HA 0.398 4.718 4.320 0.001 0.000 0.242 148 A C -0.097 177.590 177.584 0.172 0.000 1.069 148 A CA 0.102 52.176 52.037 0.061 0.000 0.763 148 A CB -0.331 18.635 19.000 -0.056 0.000 1.001 148 A HN 0.198 8.348 8.150 -0.000 0.000 0.498 149 F N -0.473 119.419 119.950 -0.097 0.000 2.713 149 F HA 0.695 5.223 4.527 0.001 0.000 0.311 149 F C -0.258 175.486 175.800 -0.094 0.000 1.141 149 F CA -0.478 57.475 58.000 -0.078 0.000 0.939 149 F CB 0.950 39.920 39.000 -0.050 0.000 1.325 149 F HN 0.607 8.907 8.300 -0.000 0.000 0.453 150 T N -0.172 114.321 114.554 -0.101 0.000 2.867 150 T HA 0.608 4.959 4.350 0.001 0.000 0.282 150 T C -0.722 173.944 174.700 -0.057 0.000 1.000 150 T CA -0.476 61.503 62.100 -0.202 0.000 1.042 150 T CB 1.546 70.383 68.868 -0.051 0.000 0.973 150 T HN 0.838 9.078 8.240 -0.000 0.000 0.465 151 D N 0.971 121.294 120.400 -0.128 0.000 2.539 151 D HA 0.287 4.928 4.640 0.001 0.000 0.276 151 D C 1.496 177.852 176.300 0.093 0.000 1.206 151 D CA -0.476 53.566 54.000 0.071 0.000 1.081 151 D CB 0.287 41.112 40.800 0.042 0.000 1.142 151 D HN 0.478 8.848 8.370 -0.000 0.000 0.595 152 S N -1.367 114.398 115.700 0.109 0.000 2.453 152 S HA -0.125 4.345 4.470 0.001 0.000 0.231 152 S C 0.799 175.444 174.600 0.076 0.000 1.005 152 S CA 0.589 58.842 58.200 0.087 0.000 0.949 152 S CB -0.350 62.898 63.200 0.081 0.000 0.774 152 S HN 0.450 8.760 8.310 -0.000 0.000 0.510 153 D N 1.456 121.900 120.400 0.073 0.000 2.349 153 D HA 0.215 4.856 4.640 0.001 0.000 0.224 153 D C 1.442 177.796 176.300 0.090 0.000 1.029 153 D CA 0.808 54.853 54.000 0.074 0.000 0.879 153 D CB -0.133 40.709 40.800 0.069 0.000 0.906 153 D HN 0.610 8.980 8.370 -0.000 0.000 0.528 154 G N 1.167 110.026 108.800 0.098 0.000 2.143 154 G HA2 -0.254 3.706 3.960 0.001 0.000 0.248 154 G HA3 -0.254 3.706 3.960 0.001 0.000 0.248 154 G C 0.137 175.167 174.900 0.217 0.000 0.991 154 G CA -0.311 44.875 45.100 0.143 0.000 0.689 154 G HN 0.203 8.493 8.290 -0.000 0.000 0.522 155 N N -0.361 118.416 118.700 0.128 0.000 2.508 155 N HA 0.544 5.285 4.740 0.001 0.000 0.285 155 N C -0.113 175.318 175.510 -0.132 0.000 1.144 155 N CA -0.611 52.504 53.050 0.109 0.000 0.978 155 N CB 1.747 40.261 38.487 0.043 0.000 1.180 155 N HN 0.280 8.660 8.380 -0.000 0.000 0.484 156 L N 1.908 122.914 121.223 -0.362 0.000 2.281 156 L HA 0.204 4.545 4.340 0.001 0.000 0.285 156 L C -0.412 176.169 176.870 -0.482 0.000 1.074 156 L CA -0.034 54.412 54.840 -0.656 0.000 0.817 156 L CB 0.361 41.691 42.059 -1.214 0.000 1.168 156 L HN 0.267 8.497 8.230 -0.000 0.000 0.434 157 Q N 6.124 125.555 119.800 -0.615 0.000 2.398 157 Q HA 0.241 4.582 4.340 0.001 0.000 0.251 157 Q C 0.696 176.491 176.000 -0.342 0.000 0.999 157 Q CA -0.184 55.305 55.803 -0.523 0.000 0.874 157 Q CB 1.700 29.899 28.738 -0.898 0.000 1.215 157 Q HN 0.838 9.108 8.270 -0.000 0.000 0.470 158 L N 0.833 121.930 121.223 -0.211 0.000 2.217 158 L HA -0.051 4.290 4.340 0.001 0.000 0.211 158 L C 1.138 177.977 176.870 -0.051 0.000 1.107 158 L CA 0.986 55.739 54.840 -0.146 0.000 0.783 158 L CB -0.094 41.867 42.059 -0.164 0.000 0.919 158 L HN 0.521 8.751 8.230 -0.000 0.000 0.442 159 T N -3.468 111.080 114.554 -0.010 0.000 2.930 159 T HA 0.358 4.709 4.350 0.001 0.000 0.290 159 T C -0.293 174.492 174.700 0.142 0.000 1.052 159 T CA -1.032 61.097 62.100 0.047 0.000 1.017 159 T CB 1.807 70.685 68.868 0.017 0.000 1.137 159 T HN -0.126 8.114 8.240 -0.000 0.000 0.511 160 K N 0.885 121.360 120.400 0.124 0.000 2.489 160 K HA 0.395 4.716 4.320 0.001 0.000 0.278 160 K C -0.126 176.560 176.600 0.144 0.000 1.000 160 K CA -0.202 56.167 56.287 0.136 0.000 1.012 160 K CB 0.222 32.743 32.500 0.036 0.000 0.903 160 K HN 0.600 8.850 8.250 -0.000 0.000 0.485 161 V N -0.327 119.704 119.914 0.196 0.000 2.841 161 V HA 0.422 4.543 4.120 0.001 0.000 0.310 161 V C 0.046 176.204 176.094 0.107 0.000 1.090 161 V CA -1.121 61.271 62.300 0.154 0.000 0.930 161 V CB 1.620 33.554 31.823 0.185 0.000 1.014 161 V HN 0.855 9.045 8.190 -0.000 0.000 0.425 162 S N 2.701 118.438 115.700 0.062 0.000 2.617 162 S HA 0.198 4.669 4.470 0.001 0.000 0.255 162 S C 1.453 176.083 174.600 0.050 0.000 1.318 162 S CA 0.284 58.503 58.200 0.030 0.000 0.978 162 S CB 0.848 64.060 63.200 0.021 0.000 0.961 162 S HN 1.902 10.212 8.310 -0.000 0.000 0.582 163 S N 0.611 116.328 115.700 0.027 0.000 2.419 163 S HA -0.117 4.353 4.470 0.001 0.000 0.233 163 S C 1.851 176.480 174.600 0.048 0.000 1.016 163 S CA 0.932 59.156 58.200 0.040 0.000 0.974 163 S CB -1.141 62.070 63.200 0.020 0.000 0.786 163 S HN 1.029 9.339 8.310 -0.000 0.000 0.492 164 S N 0.666 116.391 115.700 0.041 0.000 2.527 164 S HA 0.418 4.889 4.470 0.001 0.000 0.222 164 S C 1.579 176.210 174.600 0.051 0.000 0.985 164 S CA 0.413 58.637 58.200 0.041 0.000 0.921 164 S CB -0.461 62.758 63.200 0.031 0.000 0.772 164 S HN 1.357 9.667 8.310 -0.000 0.000 0.529 165 G N 0.920 109.758 108.800 0.064 0.000 2.144 165 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 165 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 165 G C -0.411 174.529 174.900 0.067 0.000 0.988 165 G CA -0.053 45.091 45.100 0.074 0.000 0.659 165 G HN 0.622 8.912 8.290 -0.000 0.000 0.522 166 D N 1.666 122.100 120.400 0.057 0.000 2.295 166 D HA 0.490 5.131 4.640 0.001 0.000 0.248 166 D C -1.397 174.936 176.300 0.055 0.000 1.154 166 D CA -1.703 52.327 54.000 0.049 0.000 0.857 166 D CB 1.608 42.430 40.800 0.037 0.000 1.117 166 D HN 0.199 8.569 8.370 -0.000 0.000 0.468 167 P HA 0.093 4.513 4.420 -0.000 0.000 0.274 167 P C -0.888 176.438 177.300 0.043 0.000 1.237 167 P CA -0.271 62.863 63.100 0.057 0.000 0.793 167 P CB 0.799 32.534 31.700 0.059 0.000 0.977 168 Q N 0.185 120.007 119.800 0.037 0.000 2.345 168 Q HA 0.582 4.923 4.340 0.001 0.000 0.268 168 Q C 0.529 176.535 176.000 0.009 0.000 1.054 168 Q CA -1.001 54.813 55.803 0.019 0.000 0.835 168 Q CB 1.858 30.602 28.738 0.009 0.000 1.339 168 Q HN 0.489 8.759 8.270 -0.000 0.000 0.447 169 G N 0.412 109.209 108.800 -0.004 0.000 2.616 169 G HA2 0.137 4.097 3.960 0.001 0.000 0.268 169 G HA3 0.137 4.097 3.960 0.001 0.000 0.268 169 G C -0.133 174.746 174.900 -0.035 0.000 1.213 169 G CA -0.567 44.518 45.100 -0.024 0.000 0.926 169 G HN 0.947 9.237 8.290 -0.000 0.000 0.523 170 N N -1.538 117.130 118.700 -0.054 0.000 2.716 170 N HA -0.197 4.544 4.740 0.001 0.000 0.250 170 N C -0.156 175.330 175.510 -0.040 0.000 1.033 170 N CA 0.730 53.748 53.050 -0.054 0.000 0.727 170 N CB -0.545 37.908 38.487 -0.056 0.000 0.950 170 N HN 0.480 8.860 8.380 -0.000 0.000 0.541 171 S N -0.416 115.265 115.700 -0.032 0.000 2.621 171 S HA 0.801 5.272 4.470 0.001 0.000 0.302 171 S C -0.786 173.794 174.600 -0.033 0.000 1.093 171 S CA -0.585 57.601 58.200 -0.024 0.000 1.017 171 S CB 2.071 65.269 63.200 -0.004 0.000 1.077 171 S HN 0.189 8.499 8.310 -0.000 0.000 0.517 172 V N 2.432 122.324 119.914 -0.036 0.000 2.777 172 V HA 0.880 5.001 4.120 0.001 0.000 0.306 172 V C -0.306 175.757 176.094 -0.050 0.000 1.112 172 V CA 0.379 62.646 62.300 -0.055 0.000 0.917 172 V CB 1.442 33.224 31.823 -0.070 0.000 1.018 172 V HN 1.139 9.329 8.190 -0.000 0.000 0.426 173 G N 5.766 114.527 108.800 -0.065 0.000 2.718 173 G HA2 0.799 4.760 3.960 0.001 0.000 0.295 173 G HA3 0.799 4.760 3.960 0.001 0.000 0.295 173 G C -1.705 173.142 174.900 -0.089 0.000 1.421 173 G CA -0.893 44.171 45.100 -0.060 0.000 0.902 173 G HN 0.810 9.100 8.290 -0.000 0.000 0.501 174 R N -0.427 120.029 120.500 -0.072 0.000 2.740 174 R HA 0.794 5.135 4.340 0.001 0.000 0.273 174 R C -1.148 175.118 176.300 -0.056 0.000 0.998 174 R CA -1.022 55.046 56.100 -0.053 0.000 0.900 174 R CB 2.607 32.914 30.300 0.011 0.000 1.223 174 R HN 0.834 9.104 8.270 -0.000 0.000 0.466 175 A N 2.461 125.234 122.820 -0.079 0.000 2.353 175 A HA 0.655 4.975 4.320 0.001 0.000 0.299 175 A C -1.250 176.333 177.584 -0.003 0.000 1.089 175 A CA -0.619 51.378 52.037 -0.067 0.000 0.736 175 A CB 0.860 19.772 19.000 -0.147 0.000 1.195 175 A HN 0.454 8.604 8.150 -0.000 0.000 0.447 176 L N 1.888 123.141 121.223 0.049 0.000 2.346 176 L HA 0.554 4.895 4.340 0.001 0.000 0.274 176 L C -0.171 176.792 176.870 0.155 0.000 1.007 176 L CA -0.471 54.416 54.840 0.078 0.000 0.818 176 L CB 1.457 43.485 42.059 -0.051 0.000 1.284 176 L HN 0.706 8.936 8.230 -0.000 0.000 0.424 177 F N 1.057 121.033 119.950 0.043 0.000 2.529 177 F HA 0.007 4.535 4.527 0.001 0.000 0.365 177 F C 1.079 176.845 175.800 -0.056 0.000 1.102 177 F CA 0.156 58.074 58.000 -0.138 0.000 1.271 177 F CB 0.423 39.140 39.000 -0.472 0.000 1.120 177 F HN 0.462 8.762 8.300 -0.000 0.000 0.579 178 Y N 4.477 124.218 120.300 -0.930 0.000 2.128 178 Y HA -0.038 4.513 4.550 0.002 0.000 0.284 178 Y C 1.264 176.909 175.900 -0.426 0.000 1.154 178 Y CA 1.532 59.271 58.100 -0.601 0.000 1.149 178 Y CB -0.475 37.633 38.460 -0.586 0.000 0.976 178 Y HN 0.578 8.858 8.280 -0.000 0.000 0.505 179 A N 1.128 123.732 122.820 -0.360 0.000 2.366 179 A HA 0.371 4.692 4.320 0.001 0.000 0.272 179 A C -2.400 175.292 177.584 0.180 0.000 1.135 179 A CA -1.466 50.596 52.037 0.042 0.000 0.804 179 A CB -0.338 18.812 19.000 0.250 0.000 1.064 179 A HN 0.169 8.319 8.150 -0.000 0.000 0.499 180 P HA 0.224 4.644 4.420 -0.000 0.000 0.268 180 P C -0.747 176.839 177.300 0.476 0.000 1.208 180 P CA -0.030 63.240 63.100 0.283 0.000 0.777 180 P CB 0.573 32.420 31.700 0.245 0.000 0.875 181 V N 2.226 122.399 119.914 0.432 0.000 2.459 181 V HA 0.202 4.323 4.120 0.001 0.000 0.295 181 V C 0.122 176.335 176.094 0.198 0.000 1.029 181 V CA -0.458 62.054 62.300 0.353 0.000 0.874 181 V CB 0.963 32.953 31.823 0.277 0.000 0.985 181 V HN 0.565 8.755 8.190 -0.000 0.000 0.438 182 H N 4.974 123.888 119.070 -0.261 0.000 2.761 182 H HA 0.363 4.919 4.556 0.001 0.000 0.284 182 H C 0.785 175.930 175.328 -0.305 0.000 1.105 182 H CA -0.478 55.081 56.048 -0.816 0.000 1.352 182 H CB 1.019 30.079 29.762 -1.170 0.000 1.423 182 H HN 0.799 9.079 8.280 -0.000 0.000 0.464 183 I N 1.787 122.284 120.570 -0.122 0.000 4.070 183 I HA 0.295 4.466 4.170 0.001 0.000 0.328 183 I C 0.005 176.219 176.117 0.163 0.000 1.298 183 I CA -0.294 61.039 61.300 0.055 0.000 1.173 183 I CB 0.739 38.844 38.000 0.177 0.000 1.051 183 I HN 0.365 8.575 8.210 -0.000 0.000 0.409 184 W N 2.870 123.995 121.300 -0.291 0.000 3.137 184 W HA 0.471 5.132 4.660 0.001 0.000 0.324 184 W C -1.767 174.532 176.519 -0.367 0.000 1.253 184 W CA -0.576 56.629 57.345 -0.233 0.000 1.183 184 W CB 2.151 31.569 29.460 -0.070 0.000 1.424 184 W HN 0.155 8.335 8.180 -0.000 0.000 0.566 185 E N 1.411 121.099 120.200 -0.854 0.000 2.445 185 E HA 0.181 4.532 4.350 0.001 0.000 0.279 185 E C 0.103 176.391 176.600 -0.519 0.000 1.018 185 E CA -0.603 55.510 56.400 -0.479 0.000 0.816 185 E CB 1.939 31.414 29.700 -0.376 0.000 1.356 185 E HN 0.458 8.818 8.360 -0.000 0.000 0.462 186 K N 0.246 120.539 120.400 -0.178 0.000 2.147 186 K HA -0.096 4.225 4.320 0.001 0.000 0.205 186 K C 1.315 177.811 176.600 -0.173 0.000 1.049 186 K CA 2.142 58.371 56.287 -0.098 0.000 0.936 186 K CB -0.277 32.230 32.500 0.011 0.000 0.722 186 K HN 0.393 8.643 8.250 -0.000 0.000 0.446 187 S N 0.466 116.035 115.700 -0.217 0.000 2.603 187 S HA 0.271 4.742 4.470 0.001 0.000 0.220 187 S C 0.845 175.262 174.600 -0.305 0.000 0.967 187 S CA -0.233 57.849 58.200 -0.197 0.000 0.920 187 S CB -0.032 63.093 63.200 -0.126 0.000 0.773 187 S HN 0.454 8.764 8.310 -0.000 0.000 0.529 188 A N 1.098 123.564 122.820 -0.590 0.000 2.462 188 A HA 0.498 4.818 4.320 0.001 0.000 0.243 188 A C 1.107 178.415 177.584 -0.459 0.000 1.076 188 A CA -0.399 51.193 52.037 -0.742 0.000 0.773 188 A CB 0.299 18.357 19.000 -1.569 0.000 1.010 188 A HN 0.207 8.357 8.150 -0.000 0.000 0.493 189 V N 2.274 122.043 119.914 -0.241 0.000 2.672 189 V HA 0.134 4.254 4.120 0.001 0.000 0.242 189 V C 0.578 176.709 176.094 0.062 0.000 1.059 189 V CA 1.456 63.724 62.300 -0.053 0.000 1.081 189 V CB 0.524 32.319 31.823 -0.047 0.000 0.752 189 V HN 0.785 8.975 8.190 -0.000 0.000 0.472 190 V N -0.409 119.520 119.914 0.026 0.000 2.891 190 V HA 0.867 4.988 4.120 0.001 0.000 0.304 190 V C -1.560 174.605 176.094 0.118 0.000 1.171 190 V CA 0.040 62.410 62.300 0.116 0.000 0.943 190 V CB 1.756 33.600 31.823 0.034 0.000 1.037 190 V HN 0.292 8.482 8.190 -0.000 0.000 0.427 191 A N 4.550 127.519 122.820 0.248 0.000 2.414 191 A HA 1.024 5.344 4.320 0.001 0.000 0.306 191 A C -0.389 177.299 177.584 0.174 0.000 1.054 191 A CA 0.057 52.239 52.037 0.242 0.000 0.724 191 A CB 2.054 21.335 19.000 0.468 0.000 1.267 191 A HN 1.904 10.055 8.150 -0.000 0.000 0.418 192 S N 0.369 116.151 115.700 0.137 0.000 2.588 192 S HA 0.921 5.392 4.470 0.001 0.000 0.275 192 S C -0.818 173.882 174.600 0.167 0.000 1.130 192 S CA -0.632 57.606 58.200 0.064 0.000 0.855 192 S CB 1.485 64.649 63.200 -0.060 0.000 1.116 192 S HN 1.884 10.194 8.310 -0.000 0.000 0.472 193 F N -1.036 118.949 119.950 0.059 0.000 2.654 193 F HA 0.885 5.413 4.527 0.001 0.000 0.308 193 F C -2.003 173.750 175.800 -0.078 0.000 1.108 193 F CA -0.889 57.063 58.000 -0.080 0.000 0.957 193 F CB 1.014 40.037 39.000 0.037 0.000 1.309 193 F HN 0.560 8.860 8.300 -0.000 0.000 0.446 194 D N 1.474 121.873 120.400 -0.002 0.000 2.819 194 D HA 0.755 5.395 4.640 0.001 0.000 0.232 194 D C -1.320 174.971 176.300 -0.015 0.000 1.160 194 D CA -0.478 53.517 54.000 -0.010 0.000 0.858 194 D CB 2.243 42.992 40.800 -0.086 0.000 1.610 194 D HN 0.956 9.326 8.370 -0.000 0.000 0.481 195 A N 1.079 123.927 122.820 0.047 0.000 2.475 195 A HA 0.843 5.164 4.320 0.001 0.000 0.301 195 A C -0.885 176.710 177.584 0.019 0.000 1.059 195 A CA -0.593 51.441 52.037 -0.005 0.000 0.710 195 A CB 1.808 20.617 19.000 -0.317 0.000 1.288 195 A HN 0.395 8.545 8.150 -0.000 0.000 0.408 196 T N 1.778 116.395 114.554 0.106 0.000 2.886 196 T HA 0.698 5.049 4.350 0.001 0.000 0.292 196 T C -1.054 173.826 174.700 0.299 0.000 1.012 196 T CA -0.134 61.992 62.100 0.043 0.000 0.982 196 T CB 0.724 69.603 68.868 0.020 0.000 1.018 196 T HN 0.953 9.193 8.240 -0.000 0.000 0.451 197 F N -0.177 119.814 119.950 0.069 0.000 2.601 197 F HA 0.821 5.349 4.527 0.001 0.000 0.309 197 F C -0.178 175.695 175.800 0.122 0.000 1.089 197 F CA -1.110 56.991 58.000 0.168 0.000 0.940 197 F CB 1.215 40.310 39.000 0.159 0.000 1.273 197 F HN 0.521 8.821 8.300 -0.000 0.000 0.450 198 T N 0.831 115.571 114.554 0.310 0.000 2.855 198 T HA 0.819 5.170 4.350 0.001 0.000 0.281 198 T C -1.019 173.890 174.700 0.349 0.000 1.007 198 T CA -0.560 61.633 62.100 0.155 0.000 1.009 198 T CB 1.519 70.416 68.868 0.048 0.000 0.983 198 T HN 0.980 9.220 8.240 -0.000 0.000 0.455 199 F N 1.211 121.273 119.950 0.186 0.000 2.613 199 F HA 0.835 5.362 4.527 0.001 0.000 0.310 199 F C -1.939 173.971 175.800 0.183 0.000 1.085 199 F CA -1.839 56.294 58.000 0.221 0.000 0.945 199 F CB 1.566 40.754 39.000 0.312 0.000 1.298 199 F HN 0.636 8.936 8.300 -0.000 0.000 0.455 200 L N 3.946 125.355 121.223 0.311 0.000 2.406 200 L HA 0.633 4.973 4.340 0.001 0.000 0.270 200 L C -1.633 175.427 176.870 0.317 0.000 0.982 200 L CA -0.620 54.361 54.840 0.235 0.000 0.843 200 L CB 1.303 43.442 42.059 0.134 0.000 1.225 200 L HN 0.720 8.950 8.230 -0.000 0.000 0.412 201 I N 5.443 126.255 120.570 0.402 0.000 2.307 201 I HA 0.369 4.540 4.170 0.001 0.000 0.289 201 I C -0.154 176.087 176.117 0.207 0.000 1.021 201 I CA -0.375 61.117 61.300 0.319 0.000 1.224 201 I CB 0.791 39.032 38.000 0.401 0.000 1.376 201 I HN 0.527 8.737 8.210 -0.000 0.000 0.470 202 K N 4.283 124.770 120.400 0.144 0.000 2.203 202 K HA 0.721 5.042 4.320 0.001 0.000 0.251 202 K C -0.702 175.946 176.600 0.080 0.000 0.944 202 K CA -0.725 55.620 56.287 0.096 0.000 0.829 202 K CB 2.337 34.886 32.500 0.080 0.000 1.125 202 K HN 0.451 8.701 8.250 -0.000 0.000 0.430 203 S N 1.221 116.955 115.700 0.057 0.000 2.533 203 S HA 0.352 4.822 4.470 0.001 0.000 0.271 203 S C -2.259 172.358 174.600 0.028 0.000 1.143 203 S CA -1.102 57.126 58.200 0.046 0.000 0.891 203 S CB 1.180 64.407 63.200 0.045 0.000 1.105 203 S HN 0.540 8.850 8.310 -0.000 0.000 0.468 204 P HA 0.248 4.668 4.420 -0.000 0.000 0.245 204 P C -0.573 176.730 177.300 0.006 0.000 1.206 204 P CA 0.179 63.290 63.100 0.018 0.000 0.781 204 P CB -0.060 31.654 31.700 0.025 0.000 0.994 205 D N 0.352 120.753 120.400 0.002 0.000 2.255 205 D HA 0.106 4.746 4.640 0.001 0.000 0.249 205 D C 1.287 177.546 176.300 -0.069 0.000 1.078 205 D CA -0.358 53.621 54.000 -0.035 0.000 0.896 205 D CB 1.462 42.242 40.800 -0.034 0.000 1.194 205 D HN -0.103 8.267 8.370 -0.000 0.000 0.429 206 R N 1.311 121.748 120.500 -0.106 0.000 2.096 206 R HA -0.103 4.238 4.340 0.001 0.000 0.235 206 R C -0.174 176.054 176.300 -0.118 0.000 1.127 206 R CA 1.127 57.166 56.100 -0.102 0.000 0.968 206 R CB 0.315 30.554 30.300 -0.102 0.000 0.861 206 R HN 0.470 8.740 8.270 -0.000 0.000 0.440 207 E N 1.673 121.754 120.200 -0.199 0.000 2.256 207 E HA 0.274 4.625 4.350 0.001 0.000 0.243 207 E C -2.420 174.143 176.600 -0.061 0.000 0.925 207 E CA -2.221 54.106 56.400 -0.123 0.000 0.748 207 E CB 1.794 31.412 29.700 -0.137 0.000 1.206 207 E HN 0.263 8.623 8.360 -0.000 0.000 0.428 208 P HA 0.144 4.564 4.420 -0.000 0.000 0.270 208 P C -0.906 176.489 177.300 0.158 0.000 1.223 208 P CA -0.141 63.000 63.100 0.069 0.000 0.785 208 P CB 1.025 32.759 31.700 0.056 0.000 0.923 209 A N 0.926 123.824 122.820 0.129 0.000 2.606 209 A HA 0.482 4.803 4.320 0.001 0.000 0.293 209 A C -0.044 177.584 177.584 0.072 0.000 1.082 209 A CA -0.403 51.701 52.037 0.112 0.000 0.685 209 A CB 1.039 20.003 19.000 -0.059 0.000 1.284 209 A HN 0.466 8.616 8.150 -0.000 0.000 0.408 210 D N -0.442 119.997 120.400 0.065 0.000 2.482 210 D HA 0.403 5.044 4.640 0.001 0.000 0.251 210 D C 0.777 177.149 176.300 0.120 0.000 1.073 210 D CA 1.549 55.607 54.000 0.096 0.000 0.892 210 D CB 1.473 42.298 40.800 0.042 0.000 1.202 210 D HN 1.184 9.554 8.370 -0.000 0.000 0.496 211 G N 0.437 109.287 108.800 0.084 0.000 2.362 211 G HA2 0.226 4.186 3.960 0.001 0.000 0.288 211 G HA3 0.226 4.186 3.960 0.001 0.000 0.288 211 G C -1.844 173.054 174.900 -0.003 0.000 1.305 211 G CA -0.858 44.289 45.100 0.080 0.000 0.910 211 G HN 0.019 8.309 8.290 -0.000 0.000 0.518 212 I N 0.709 121.243 120.570 -0.059 0.000 2.647 212 I HA 0.663 4.833 4.170 0.001 0.000 0.295 212 I C 0.200 176.243 176.117 -0.123 0.000 1.078 212 I CA -0.773 60.450 61.300 -0.129 0.000 1.048 212 I CB 2.752 40.643 38.000 -0.182 0.000 1.239 212 I HN 0.883 9.093 8.210 -0.000 0.000 0.421 213 T N 1.656 116.132 114.554 -0.130 0.000 2.907 213 T HA 0.581 4.932 4.350 0.001 0.000 0.292 213 T C -0.958 173.728 174.700 -0.024 0.000 1.043 213 T CA -0.616 61.465 62.100 -0.032 0.000 1.003 213 T CB 1.905 70.761 68.868 -0.020 0.000 1.084 213 T HN 0.312 8.552 8.240 -0.000 0.000 0.483 214 F N 4.576 124.521 119.950 -0.008 0.000 2.408 214 F HA 0.702 5.229 4.527 0.001 0.000 0.344 214 F C -1.137 174.779 175.800 0.195 0.000 1.112 214 F CA -1.593 56.423 58.000 0.027 0.000 1.096 214 F CB 0.677 39.801 39.000 0.207 0.000 1.129 214 F HN 0.730 9.030 8.300 -0.000 0.000 0.486 215 F N 5.127 124.541 119.950 -0.893 0.000 2.629 215 F HA 0.828 5.356 4.527 0.001 0.000 0.316 215 F C -1.977 173.368 175.800 -0.757 0.000 1.081 215 F CA -1.960 55.649 58.000 -0.651 0.000 0.954 215 F CB 1.104 39.886 39.000 -0.362 0.000 1.337 215 F HN 0.276 8.576 8.300 -0.000 0.000 0.474 216 I N 2.079 122.404 120.570 -0.408 0.000 2.466 216 I HA 0.810 4.981 4.170 0.001 0.000 0.289 216 I C -0.511 175.547 176.117 -0.099 0.000 1.026 216 I CA -0.916 60.163 61.300 -0.368 0.000 1.078 216 I CB 1.650 39.481 38.000 -0.282 0.000 1.249 216 I HN 1.037 9.247 8.210 -0.000 0.000 0.429 217 A N 4.843 127.607 122.820 -0.094 0.000 2.564 217 A HA 0.592 4.913 4.320 0.001 0.000 0.288 217 A C -0.794 176.801 177.584 0.018 0.000 1.164 217 A CA -0.891 51.161 52.037 0.025 0.000 0.712 217 A CB 1.219 20.296 19.000 0.128 0.000 1.303 217 A HN 0.788 8.938 8.150 -0.000 0.000 0.418 218 N N 0.413 119.137 118.700 0.040 0.000 2.292 218 N HA -0.098 4.643 4.740 0.001 0.000 0.242 218 N C 1.088 176.616 175.510 0.029 0.000 1.243 218 N CA 1.019 54.098 53.050 0.048 0.000 0.851 218 N CB 0.252 38.764 38.487 0.042 0.000 1.093 218 N HN 0.878 9.258 8.380 -0.000 0.000 0.450 219 T N -1.944 112.634 114.554 0.039 0.000 2.803 219 T HA -0.244 4.107 4.350 0.001 0.000 0.269 219 T C 0.892 175.570 174.700 -0.036 0.000 1.052 219 T CA 1.543 63.645 62.100 0.003 0.000 1.136 219 T CB -0.376 68.493 68.868 0.000 0.000 0.864 219 T HN 0.731 8.971 8.240 -0.000 0.000 0.467 220 D N 1.073 121.456 120.400 -0.028 0.000 2.319 220 D HA 0.050 4.691 4.640 0.001 0.000 0.230 220 D C 0.705 176.987 176.300 -0.030 0.000 1.094 220 D CA -0.086 53.889 54.000 -0.041 0.000 0.856 220 D CB -0.929 39.848 40.800 -0.039 0.000 0.915 220 D HN 0.359 8.729 8.370 -0.000 0.000 0.517 221 T N 0.605 115.152 114.554 -0.012 0.000 2.923 221 T HA 0.181 4.531 4.350 0.001 0.000 0.304 221 T C 0.127 174.819 174.700 -0.013 0.000 1.044 221 T CA 0.370 62.471 62.100 0.002 0.000 1.141 221 T CB 0.206 69.115 68.868 0.068 0.000 1.023 221 T HN 0.398 8.638 8.240 -0.000 0.000 0.533 222 S N 3.930 119.609 115.700 -0.035 0.000 2.651 222 S HA 0.584 5.055 4.470 0.001 0.000 0.279 222 S C -0.455 174.095 174.600 -0.083 0.000 1.148 222 S CA -1.171 57.001 58.200 -0.048 0.000 0.837 222 S CB 0.814 63.986 63.200 -0.046 0.000 1.138 222 S HN 0.703 9.013 8.310 -0.000 0.000 0.478 223 I N 2.449 122.965 120.570 -0.089 0.000 2.664 223 I HA 0.192 4.363 4.170 0.001 0.000 0.284 223 I C -2.139 173.919 176.117 -0.098 0.000 1.154 223 I CA -1.246 59.982 61.300 -0.119 0.000 1.402 223 I CB -0.178 37.760 38.000 -0.104 0.000 1.395 223 I HN 0.458 8.668 8.210 -0.000 0.000 0.545 224 P HA 0.109 4.529 4.420 -0.000 0.000 0.272 224 P C -0.573 176.692 177.300 -0.057 0.000 1.223 224 P CA -0.318 62.737 63.100 -0.074 0.000 0.784 224 P CB 0.523 32.179 31.700 -0.073 0.000 0.923 225 S N 1.106 116.782 115.700 -0.040 0.000 2.560 225 S HA 0.346 4.816 4.470 0.001 0.000 0.284 225 S C 1.475 176.059 174.600 -0.027 0.000 1.327 225 S CA 0.715 58.895 58.200 -0.033 0.000 1.055 225 S CB -0.301 62.884 63.200 -0.025 0.000 0.868 225 S HN 0.938 9.248 8.310 -0.000 0.000 0.506 226 G N 1.601 110.384 108.800 -0.027 0.000 2.168 226 G HA2 -0.319 3.641 3.960 0.001 0.000 0.257 226 G HA3 -0.319 3.641 3.960 0.001 0.000 0.257 226 G C 0.615 175.505 174.900 -0.017 0.000 0.997 226 G CA 0.489 45.577 45.100 -0.020 0.000 0.708 226 G HN 1.100 9.390 8.290 -0.000 0.000 0.520 227 S N -0.477 115.203 115.700 -0.033 0.000 2.605 227 S HA 0.531 5.002 4.470 0.001 0.000 0.217 227 S C 1.478 176.052 174.600 -0.044 0.000 0.958 227 S CA 0.666 58.844 58.200 -0.036 0.000 0.919 227 S CB 0.564 63.714 63.200 -0.084 0.000 0.780 227 S HN 1.506 9.816 8.310 -0.000 0.000 0.507 228 G N 0.706 109.481 108.800 -0.041 0.000 2.732 228 G HA2 0.434 4.394 3.960 0.001 0.000 0.244 228 G HA3 0.434 4.394 3.960 0.001 0.000 0.244 228 G C 0.965 175.845 174.900 -0.034 0.000 1.226 228 G CA -0.044 45.029 45.100 -0.045 0.000 0.860 228 G HN 1.125 9.415 8.290 -0.000 0.000 0.583 229 G N 0.907 109.682 108.800 -0.041 0.000 2.596 229 G HA2 -0.401 3.559 3.960 0.001 0.000 0.304 229 G HA3 -0.401 3.559 3.960 0.001 0.000 0.304 229 G C 1.536 176.436 174.900 -0.000 0.000 1.189 229 G CA 1.748 46.825 45.100 -0.037 0.000 0.986 229 G HN 1.426 9.716 8.290 -0.000 0.000 0.548 230 R N 0.983 121.499 120.500 0.026 0.000 2.293 230 R HA 0.196 4.537 4.340 0.001 0.000 0.219 230 R C 2.269 178.613 176.300 0.075 0.000 1.091 230 R CA 1.796 57.942 56.100 0.077 0.000 1.004 230 R CB -0.372 29.988 30.300 0.101 0.000 0.865 230 R HN 0.508 8.778 8.270 -0.000 0.000 0.469 231 L N 0.943 122.200 121.223 0.057 0.000 2.592 231 L HA 0.221 4.561 4.340 0.001 0.000 0.227 231 L C 0.612 177.520 176.870 0.063 0.000 1.127 231 L CA -0.041 54.859 54.840 0.101 0.000 0.884 231 L CB -0.131 41.989 42.059 0.100 0.000 1.065 231 L HN 0.197 8.427 8.230 -0.000 0.000 0.457 232 L N 0.297 121.518 121.223 -0.002 0.000 4.429 232 L HA -0.286 4.054 4.340 0.001 0.000 0.422 232 L C 1.151 177.915 176.870 -0.176 0.000 1.149 232 L CA 0.327 55.127 54.840 -0.066 0.000 0.972 232 L CB -2.399 39.638 42.059 -0.038 0.000 2.059 232 L HN 0.542 8.772 8.230 -0.000 0.000 0.870 233 G N -0.959 107.737 108.800 -0.173 0.000 2.148 233 G HA2 -0.330 3.631 3.960 0.001 0.000 0.254 233 G HA3 -0.330 3.631 3.960 0.001 0.000 0.254 233 G C 0.613 175.274 174.900 -0.398 0.000 0.981 233 G CA 0.575 45.529 45.100 -0.243 0.000 0.670 233 G HN 0.423 8.713 8.290 -0.000 0.000 0.528 234 L N -2.180 118.757 121.223 -0.476 0.000 2.500 234 L HA 0.487 4.828 4.340 0.001 0.000 0.219 234 L C 0.632 176.951 176.870 -0.917 0.000 1.057 234 L CA 0.263 54.587 54.840 -0.860 0.000 0.854 234 L CB 0.185 41.544 42.059 -1.166 0.000 1.078 234 L HN 0.125 8.355 8.230 -0.000 0.000 0.480 235 F N -0.182 119.688 119.950 -0.133 0.000 2.551 235 F HA 0.401 4.928 4.527 0.001 0.000 0.316 235 F C -1.766 173.992 175.800 -0.070 0.000 1.089 235 F CA -2.116 55.831 58.000 -0.088 0.000 0.915 235 F CB 0.897 39.855 39.000 -0.069 0.000 1.186 235 F HN -0.300 8.000 8.300 -0.000 0.000 0.456 236 P HA 0.048 4.468 4.420 -0.000 0.000 0.240 236 P C -0.838 176.493 177.300 0.052 0.000 1.190 236 P CA 0.847 63.979 63.100 0.053 0.000 0.781 236 P CB 0.233 31.952 31.700 0.032 0.000 0.931 237 D N -2.496 117.948 120.400 0.073 0.000 2.665 237 D HA 0.429 5.070 4.640 0.001 0.000 0.287 237 D C -0.314 175.990 176.300 0.007 0.000 1.266 237 D CA -0.985 53.032 54.000 0.029 0.000 0.830 237 D CB 0.101 40.908 40.800 0.012 0.000 1.356 237 D HN -0.194 8.176 8.370 -0.000 0.000 0.437 238 A N 0.038 122.845 122.820 -0.023 0.000 2.337 238 A HA 0.212 4.533 4.320 0.001 0.000 0.227 238 A C 0.273 177.799 177.584 -0.097 0.000 1.259 238 A CA -0.396 51.604 52.037 -0.062 0.000 0.870 238 A CB -1.361 17.617 19.000 -0.036 0.000 0.927 238 A HN 0.504 8.655 8.150 -0.000 0.000 0.497 239 N N 0.000 118.647 118.700 -0.089 0.000 1.763 239 N HA 0.000 4.741 4.740 0.001 0.000 0.220 239 N CA 0.000 52.996 53.050 -0.090 0.000 0.885 239 N CB 0.000 38.452 38.487 -0.059 0.000 1.341 239 N HN 0.000 8.380 8.380 -0.000 0.000 0.667