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 3fvh_1_A DATA FIRST_RESID 371 DATA SEQUENCE DCHLSDMLQQ LHSVNASKPS ERGLVRQEEA EDPACIPIFW VSKWVDYSDK DATA SEQUENCE YGLGYQLCDN SVGVLFNDST RLILYNDGDS LQYIERDGTE SYLTVSSHPN DATA SEQUENCE SLMKKITLLK YFRNYMSEHL LKAGANITPR EGDELARLPY LRTWFRTRSA DATA SEQUENCE IILHLSNGSV QINFFQDHTK LILCPLMAAV TYIDEKRDFR TYRLSLLEEY DATA SEQUENCE GCCKELASRL RYARTMVDKL LSSRSASNRL KAS 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 371 D HA 0.000 4.629 4.640 -0.019 0.000 0.175 371 D C 0.000 176.278 176.300 -0.037 0.000 2.045 371 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 371 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 372 C N -2.096 117.183 119.300 -0.035 0.000 3.293 372 C HA 0.424 4.806 4.460 -0.130 0.000 0.362 372 C C -0.352 174.627 174.990 -0.018 0.000 1.539 372 C CA -2.138 56.839 59.018 -0.068 0.000 1.201 372 C CB 2.255 29.977 27.740 -0.030 0.000 1.770 372 C HN 0.304 8.523 8.230 -0.019 0.000 0.440 373 H N -0.513 118.578 119.070 0.036 0.000 2.353 373 H HA -0.299 4.277 4.556 0.033 0.000 0.298 373 H C 2.129 177.462 175.328 0.008 0.000 1.103 373 H CA 3.722 59.793 56.048 0.038 0.000 1.293 373 H CB 0.084 29.895 29.762 0.082 0.000 1.372 373 H HN 0.240 8.449 8.280 -0.119 0.000 0.501 374 L N -3.119 118.171 121.223 0.110 0.000 2.056 374 L HA -0.307 4.012 4.340 -0.034 0.000 0.207 374 L C 1.867 178.738 176.870 0.002 0.000 1.078 374 L CA 2.745 57.583 54.840 -0.003 0.000 0.749 374 L CB -0.229 41.791 42.059 -0.065 0.000 0.901 374 L HN -0.224 8.069 8.230 0.119 0.008 0.433 375 S N -0.952 114.754 115.700 0.009 0.000 2.402 375 S HA -0.290 4.175 4.470 -0.009 0.000 0.229 375 S C 1.912 176.520 174.600 0.013 0.000 1.021 375 S CA 3.004 61.205 58.200 0.000 0.000 0.974 375 S CB -1.112 62.083 63.200 -0.008 0.000 0.800 375 S HN -0.566 7.752 8.310 0.013 0.000 0.484 376 D N 3.405 123.825 120.400 0.032 0.000 2.117 376 D HA -0.227 4.433 4.640 0.034 0.000 0.197 376 D C 1.948 178.274 176.300 0.043 0.000 0.987 376 D CA 3.193 57.219 54.000 0.043 0.000 0.829 376 D CB -0.534 40.307 40.800 0.068 0.000 0.961 376 D HN -0.634 7.761 8.370 0.041 0.000 0.460 377 M N 0.886 120.510 119.600 0.041 0.000 2.117 377 M HA -0.339 4.319 4.480 0.036 -0.156 0.262 377 M C 1.945 178.260 176.300 0.025 0.000 1.065 377 M CA 3.416 58.734 55.300 0.030 0.000 1.114 377 M CB 0.193 32.800 32.600 0.011 0.000 1.361 377 M HN -0.448 7.871 8.290 0.047 0.000 0.408 378 L N -1.129 120.104 121.223 0.016 0.000 2.046 378 L HA -0.391 3.963 4.340 0.023 0.000 0.208 378 L C 1.678 178.579 176.870 0.051 0.000 1.077 378 L CA 3.212 58.065 54.840 0.021 0.000 0.747 378 L CB -0.647 41.411 42.059 -0.001 0.000 0.896 378 L HN -0.241 7.995 8.230 0.009 0.000 0.432 379 Q N -2.090 117.735 119.800 0.041 0.000 2.096 379 Q HA -0.497 3.887 4.340 0.072 0.000 0.204 379 Q C 2.806 178.855 176.000 0.081 0.000 0.982 379 Q CA 3.734 59.573 55.803 0.061 0.000 0.850 379 Q CB -0.245 28.515 28.738 0.036 0.000 0.901 379 Q HN -0.318 7.968 8.270 0.028 0.000 0.422 380 Q N -0.835 118.998 119.800 0.055 0.000 2.124 380 Q HA -0.342 4.023 4.340 0.042 0.000 0.202 380 Q C 2.558 178.581 176.000 0.038 0.000 0.977 380 Q CA 3.518 59.348 55.803 0.044 0.000 0.850 380 Q CB 0.073 28.835 28.738 0.040 0.000 0.901 380 Q HN -0.480 7.818 8.270 0.048 0.000 0.429 381 L N -1.769 119.481 121.223 0.045 0.000 2.095 381 L HA -0.259 4.088 4.340 0.011 0.000 0.204 381 L C 1.843 178.728 176.870 0.025 0.000 1.080 381 L CA 2.766 57.623 54.840 0.028 0.000 0.759 381 L CB -0.065 42.012 42.059 0.030 0.000 0.914 381 L HN -0.387 7.875 8.230 0.052 0.000 0.439 382 H N 0.068 119.132 119.070 -0.011 0.000 2.352 382 H HA -0.448 4.099 4.556 -0.015 0.000 0.299 382 H C 2.156 177.475 175.328 -0.014 0.000 1.097 382 H CA 4.002 60.042 56.048 -0.013 0.000 1.311 382 H CB -0.073 29.680 29.762 -0.014 0.000 1.377 382 H HN 0.215 8.595 8.280 0.166 0.000 0.504 383 S N -1.565 114.103 115.700 -0.053 0.000 2.355 383 S HA -0.316 4.076 4.470 -0.129 0.000 0.222 383 S C 2.189 176.718 174.600 -0.118 0.000 1.031 383 S CA 3.114 61.263 58.200 -0.086 0.000 0.993 383 S CB -0.015 63.188 63.200 0.005 0.000 0.859 383 S HN -0.593 7.752 8.310 0.058 0.000 0.453 384 V N 1.965 121.832 119.914 -0.078 0.000 2.343 384 V HA -0.429 3.647 4.120 -0.073 0.000 0.247 384 V C 1.100 177.130 176.094 -0.106 0.000 1.051 384 V CA 3.018 65.272 62.300 -0.077 0.000 1.036 384 V CB 0.071 31.863 31.823 -0.050 0.000 0.654 384 V HN -0.695 7.465 8.190 -0.050 0.000 0.451 385 N N -0.503 118.122 118.700 -0.126 0.000 2.142 385 N HA -0.297 4.386 4.740 -0.096 0.000 0.186 385 N C 2.522 177.935 175.510 -0.161 0.000 1.023 385 N CA 2.585 55.561 53.050 -0.124 0.000 0.852 385 N CB -0.728 37.699 38.487 -0.099 0.000 0.998 385 N HN -0.164 8.142 8.380 -0.124 0.000 0.424 386 A N 0.338 122.996 122.820 -0.269 0.000 1.978 386 A HA -0.147 4.043 4.320 -0.217 0.000 0.220 386 A C 1.106 178.605 177.584 -0.143 0.000 1.170 386 A CA 2.886 54.770 52.037 -0.255 0.000 0.636 386 A CB -0.709 18.052 19.000 -0.397 0.000 0.810 386 A HN -0.014 7.921 8.150 -0.357 0.000 0.448 387 S N -3.915 111.710 115.700 -0.125 0.000 2.607 387 S HA -0.145 4.279 4.470 -0.076 0.000 0.224 387 S C -0.239 174.319 174.600 -0.069 0.000 0.969 387 S CA 0.406 58.555 58.200 -0.085 0.000 0.927 387 S CB -0.277 62.876 63.200 -0.078 0.000 0.772 387 S HN -0.692 7.514 8.310 -0.139 0.020 0.533 388 K N -0.394 119.963 120.400 -0.073 0.000 4.007 388 K HA -0.309 3.974 4.320 -0.061 0.000 0.279 388 K C -1.635 174.933 176.600 -0.054 0.000 0.919 388 K CA 0.044 56.296 56.287 -0.059 0.000 0.800 388 K CB -2.471 30.001 32.500 -0.047 0.000 1.572 388 K HN -0.430 7.604 8.250 -0.085 0.166 0.443 389 P HA -0.135 4.256 4.420 -0.049 0.000 0.220 389 P C 0.600 177.870 177.300 -0.050 0.000 1.148 389 P CA 2.142 65.208 63.100 -0.057 0.000 0.803 389 P CB -0.006 31.650 31.700 -0.074 0.000 0.782 390 S N -2.496 113.172 115.700 -0.054 0.000 2.603 390 S HA 0.031 4.727 4.470 -0.048 -0.255 0.220 390 S C 0.835 175.416 174.600 -0.033 0.000 0.967 390 S CA 0.885 59.056 58.200 -0.047 0.000 0.920 390 S CB -0.872 62.295 63.200 -0.054 0.000 0.773 390 S HN 0.251 8.501 8.310 -0.058 0.025 0.529 391 E N 0.070 120.252 120.200 -0.031 0.000 2.501 391 E HA 0.142 4.479 4.350 -0.021 0.000 0.200 391 E C -0.411 176.179 176.600 -0.017 0.000 1.016 391 E CA -0.799 55.587 56.400 -0.023 0.000 0.921 391 E CB 0.163 29.848 29.700 -0.025 0.000 1.034 391 E HN -0.600 7.679 8.360 -0.034 0.060 0.468 392 R N 0.301 120.793 120.500 -0.014 0.000 2.643 392 R HA -0.196 4.139 4.340 -0.009 0.000 0.270 392 R C 1.695 177.995 176.300 0.001 0.000 1.061 392 R CA 0.128 56.225 56.100 -0.005 0.000 1.107 392 R CB 0.732 31.036 30.300 0.006 0.000 0.999 392 R HN -0.895 7.312 8.270 -0.016 0.054 0.460 393 G N 2.312 111.115 108.800 0.004 0.000 2.469 393 G HA2 -0.198 3.763 3.960 0.001 0.000 0.219 393 G HA3 -0.198 3.766 3.960 0.006 0.000 0.219 393 G C -0.101 174.805 174.900 0.010 0.000 1.150 393 G CA 1.375 46.478 45.100 0.005 0.000 0.763 393 G HN 0.200 8.492 8.290 0.003 0.000 0.561 394 L N 0.988 122.223 121.223 0.020 0.000 2.427 394 L HA 0.183 4.531 4.340 0.013 0.000 0.264 394 L C -1.286 175.605 176.870 0.035 0.000 0.989 394 L CA -0.797 54.056 54.840 0.022 0.000 0.865 394 L CB 1.645 43.719 42.059 0.026 0.000 1.209 394 L HN -0.632 7.614 8.230 0.026 0.000 0.430 395 V N 6.214 126.141 119.914 0.021 0.000 2.493 395 V HA -0.165 4.149 4.120 0.042 -0.169 0.292 395 V C 0.074 176.183 176.094 0.025 0.000 1.016 395 V CA 1.073 63.388 62.300 0.026 0.000 1.097 395 V CB 0.380 32.205 31.823 0.002 0.000 0.947 395 V HN 0.278 8.475 8.190 0.011 0.000 0.479 396 R N 7.993 128.523 120.500 0.051 0.000 3.194 396 R HA 0.334 4.653 4.340 -0.034 0.000 0.306 396 R C 0.037 176.322 176.300 -0.026 0.000 1.347 396 R CA -1.834 54.256 56.100 -0.017 0.000 1.540 396 R CB -1.147 29.107 30.300 -0.077 0.000 1.352 396 R HN 0.219 8.550 8.270 0.101 0.000 0.621 397 Q N 0.995 120.801 119.800 0.010 0.000 2.135 397 Q HA -0.360 4.166 4.340 0.036 -0.164 0.204 397 Q C 1.449 177.523 176.000 0.122 0.000 0.981 397 Q CA 4.228 60.056 55.803 0.041 0.000 0.856 397 Q CB -0.141 28.604 28.738 0.010 0.000 0.902 397 Q HN 0.076 8.349 8.270 0.005 0.000 0.425 398 E N -2.644 117.586 120.200 0.049 0.000 2.265 398 E HA -0.254 4.334 4.350 0.094 -0.181 0.196 398 E C 2.165 178.739 176.600 -0.043 0.000 0.996 398 E CA 2.836 59.255 56.400 0.030 0.000 0.832 398 E CB -0.947 28.739 29.700 -0.024 0.000 0.756 398 E HN 0.231 8.579 8.360 0.009 0.018 0.491 399 E N -2.683 117.408 120.200 -0.181 0.000 2.358 399 E HA -0.173 4.015 4.350 -0.270 0.000 0.195 399 E C 0.498 177.023 176.600 -0.124 0.000 1.010 399 E CA 0.917 57.093 56.400 -0.372 0.000 0.856 399 E CB -0.374 28.648 29.700 -1.131 0.000 0.795 399 E HN -0.349 7.748 8.360 -0.214 0.135 0.504 400 A N -2.779 120.107 122.820 0.110 0.000 2.238 400 A HA 0.197 4.722 4.320 0.342 0.000 0.210 400 A C -0.849 176.908 177.584 0.289 0.000 1.179 400 A CA -0.314 51.911 52.037 0.313 0.000 0.827 400 A CB 1.018 20.239 19.000 0.367 0.000 0.856 400 A HN -0.543 7.514 8.150 0.118 0.164 0.488 401 E N -0.968 119.317 120.200 0.141 0.000 2.384 401 E HA -0.153 4.187 4.350 -0.315 -0.179 0.266 401 E C -0.795 175.772 176.600 -0.055 0.000 1.012 401 E CA 1.084 57.414 56.400 -0.116 0.000 0.901 401 E CB 0.377 29.959 29.700 -0.196 0.000 0.967 401 E HN -0.913 7.471 8.360 0.117 0.046 0.435 402 D N 4.765 125.113 120.400 -0.086 0.000 2.517 402 D HA 0.409 5.036 4.640 -0.022 0.000 0.263 402 D C -1.130 175.144 176.300 -0.043 0.000 1.233 402 D CA -2.678 51.304 54.000 -0.029 0.000 0.849 402 D CB 1.072 41.884 40.800 0.021 0.000 1.261 402 D HN 0.411 8.580 8.370 -0.151 0.110 0.516 403 P HA -0.099 4.304 4.420 -0.029 0.000 0.225 403 P C 0.885 178.191 177.300 0.010 0.000 1.148 403 P CA 1.199 64.283 63.100 -0.026 0.000 0.779 403 P CB 0.035 31.717 31.700 -0.030 0.000 0.780 404 A N -0.794 122.031 122.820 0.007 0.000 2.019 404 A HA -0.148 4.184 4.320 0.020 0.000 0.219 404 A C 0.719 178.318 177.584 0.024 0.000 1.164 404 A CA 2.360 54.408 52.037 0.018 0.000 0.644 404 A CB -0.620 18.390 19.000 0.016 0.000 0.805 404 A HN -0.388 7.855 8.150 0.001 -0.092 0.449 405 C N -3.898 115.416 119.300 0.024 0.000 2.578 405 C HA -0.034 4.447 4.460 0.034 0.000 0.285 405 C C -0.401 174.612 174.990 0.039 0.000 1.297 405 C CA -0.179 58.859 59.018 0.033 0.000 1.690 405 C CB -1.491 26.271 27.740 0.038 0.000 1.773 405 C HN -0.490 7.722 8.230 0.018 0.029 0.594 406 I N 2.310 122.903 120.570 0.038 0.000 2.932 406 I HA -0.178 4.008 4.170 0.026 0.000 0.295 406 I C -2.392 173.767 176.117 0.071 0.000 1.227 406 I CA -0.374 60.951 61.300 0.041 0.000 1.429 406 I CB 0.774 38.802 38.000 0.047 0.000 1.339 406 I HN -0.932 7.229 8.210 0.036 0.071 0.589 407 P HA 0.151 4.642 4.420 0.118 0.000 0.274 407 P C 0.354 177.755 177.300 0.169 0.000 1.246 407 P CA -0.504 62.697 63.100 0.168 0.000 0.795 407 P CB 0.683 32.548 31.700 0.275 0.000 1.006 408 I N -2.584 118.004 120.570 0.029 0.000 2.480 408 I HA -0.071 4.101 4.170 -0.266 -0.162 0.251 408 I C -0.143 175.634 176.117 -0.567 0.000 1.124 408 I CA 1.630 62.757 61.300 -0.288 0.000 1.444 408 I CB 0.986 38.764 38.000 -0.369 0.000 1.098 408 I HN 0.377 8.620 8.210 0.055 0.000 0.428 409 F N -3.879 116.101 119.950 0.051 0.000 2.588 409 F HA 0.124 4.470 4.527 -0.301 0.000 0.310 409 F C -1.215 174.671 175.800 0.143 0.000 1.082 409 F CA -1.650 56.300 58.000 -0.082 0.000 0.929 409 F CB 4.278 43.227 39.000 -0.085 0.000 1.254 409 F HN -0.758 7.655 8.300 0.189 0.000 0.455 410 W N -1.711 119.694 121.300 0.175 0.000 3.025 410 W HA 0.277 4.983 4.660 0.077 0.000 0.343 410 W C -2.729 173.846 176.519 0.093 0.000 1.246 410 W CA -1.708 55.692 57.345 0.091 0.000 1.178 410 W CB 1.583 31.068 29.460 0.042 0.000 1.463 410 W HN -0.385 7.572 8.180 -0.373 0.000 0.578 411 V N 1.606 121.698 119.914 0.296 0.000 2.408 411 V HA -0.040 4.312 4.120 0.150 -0.142 0.267 411 V C 0.253 176.553 176.094 0.343 0.000 1.047 411 V CA 0.619 63.050 62.300 0.218 0.000 0.937 411 V CB 0.343 32.254 31.823 0.147 0.000 0.999 411 V HN -0.023 8.715 8.190 0.340 -0.343 0.472 412 S N 6.927 122.753 115.700 0.210 0.000 2.486 412 S HA 0.104 4.788 4.470 0.356 0.000 0.220 412 S C -0.064 174.641 174.600 0.175 0.000 1.011 412 S CA 1.027 59.361 58.200 0.224 0.000 0.921 412 S CB 0.855 64.104 63.200 0.082 0.000 0.785 412 S HN 0.511 8.891 8.310 0.116 0.000 0.517 413 K N -0.714 119.789 120.400 0.172 0.000 2.551 413 K HA 0.257 4.587 4.320 0.018 0.000 0.269 413 K C -2.257 174.468 176.600 0.208 0.000 0.949 413 K CA -0.399 55.946 56.287 0.095 0.000 0.849 413 K CB 4.737 37.264 32.500 0.045 0.000 1.411 413 K HN -0.712 7.657 8.250 0.199 0.000 0.432 414 W N -1.907 119.440 121.300 0.078 0.000 3.137 414 W HA 0.744 5.560 4.660 0.013 -0.149 0.324 414 W C -2.170 174.372 176.519 0.038 0.000 1.253 414 W CA -1.255 56.105 57.345 0.025 0.000 1.183 414 W CB 2.687 32.124 29.460 -0.038 0.000 1.424 414 W HN -0.055 7.928 8.180 -0.328 0.000 0.566 415 V N 0.690 120.797 119.914 0.322 0.000 2.569 415 V HA 0.193 4.399 4.120 0.142 0.000 0.301 415 V C -1.897 174.387 176.094 0.317 0.000 1.044 415 V CA -0.606 61.843 62.300 0.248 0.000 0.874 415 V CB 3.938 35.908 31.823 0.245 0.000 1.002 415 V HN 0.414 8.772 8.190 0.281 0.000 0.424 416 D N 5.733 126.346 120.400 0.354 0.000 2.479 416 D HA 0.080 4.771 4.640 0.085 0.000 0.218 416 D C -1.307 175.184 176.300 0.319 0.000 1.131 416 D CA -0.487 53.661 54.000 0.246 0.000 0.916 416 D CB -0.647 40.328 40.800 0.291 0.000 1.022 416 D HN 0.252 8.848 8.370 0.376 0.000 0.515 417 Y N 6.381 126.870 120.300 0.316 0.000 2.811 417 Y HA 0.109 4.816 4.550 0.262 0.000 0.330 417 Y C -0.301 175.790 175.900 0.318 0.000 1.081 417 Y CA -1.535 56.774 58.100 0.349 0.000 1.408 417 Y CB 0.376 39.149 38.460 0.521 0.000 1.235 417 Y HN -0.199 8.412 8.280 0.552 0.000 0.529 418 S N 0.547 116.525 115.700 0.463 0.000 2.515 418 S HA -0.106 4.604 4.470 0.400 0.000 0.231 418 S C 0.745 175.505 174.600 0.266 0.000 0.987 418 S CA 1.726 60.167 58.200 0.402 0.000 0.936 418 S CB -0.209 63.318 63.200 0.545 0.000 0.766 418 S HN -0.532 8.229 8.310 0.431 -0.193 0.528 419 D N -0.037 120.508 120.400 0.242 0.000 2.144 419 D HA -0.119 4.592 4.640 0.118 0.000 0.199 419 D C 0.699 177.006 176.300 0.011 0.000 0.984 419 D CA 2.582 56.660 54.000 0.130 0.000 0.834 419 D CB 0.374 41.258 40.800 0.140 0.000 0.955 419 D HN -0.041 8.470 8.370 0.306 0.043 0.465 420 K N -4.570 115.769 120.400 -0.101 0.000 2.424 420 K HA 0.099 4.210 4.320 -0.349 0.000 0.200 420 K C 1.082 177.370 176.600 -0.520 0.000 1.279 420 K CA 1.082 57.081 56.287 -0.481 0.000 0.918 420 K CB 2.723 34.642 32.500 -0.967 0.000 1.287 420 K HN -0.685 7.537 8.250 -0.011 0.022 0.502 421 Y N -3.493 116.801 120.300 -0.009 0.000 2.769 421 Y HA 0.097 4.706 4.550 0.098 0.000 0.266 421 Y C -0.729 175.361 175.900 0.317 0.000 1.091 421 Y CA 0.730 58.886 58.100 0.093 0.000 1.272 421 Y CB 3.353 41.765 38.460 -0.080 0.000 1.469 421 Y HN 0.023 8.291 8.280 -0.019 0.000 0.475 422 G N -4.889 104.207 108.800 0.493 0.000 2.343 422 G HA2 -0.020 4.316 3.960 0.355 0.000 0.289 422 G HA3 -0.020 4.196 3.960 0.279 -0.089 0.289 422 G C -3.382 171.668 174.900 0.249 0.000 1.295 422 G CA -0.005 45.309 45.100 0.357 0.000 0.869 422 G HN -0.639 7.842 8.290 0.511 0.116 0.522 423 L N 1.323 122.516 121.223 -0.049 0.000 2.280 423 L HA 0.729 5.051 4.340 -0.271 -0.145 0.287 423 L C -1.367 175.176 176.870 -0.543 0.000 1.023 423 L CA -2.090 52.537 54.840 -0.354 0.000 0.819 423 L CB 2.106 43.660 42.059 -0.841 0.000 1.212 423 L HN -0.096 8.111 8.230 -0.037 0.000 0.420 424 G N 6.048 114.310 108.800 -0.896 0.000 2.389 424 G HA2 0.735 4.207 3.960 -1.074 0.000 0.328 424 G HA3 0.735 3.424 3.960 -2.117 0.000 0.328 424 G C -2.664 172.026 174.900 -0.350 0.000 1.133 424 G CA -1.215 43.173 45.100 -1.187 0.000 0.891 424 G HN 0.351 8.192 8.290 -0.749 0.000 0.485 425 Y N -3.514 116.591 120.300 -0.324 0.000 2.609 425 Y HA 0.630 5.284 4.550 -0.032 -0.123 0.336 425 Y C -2.985 172.866 175.900 -0.082 0.000 1.129 425 Y CA -2.271 55.758 58.100 -0.118 0.000 1.040 425 Y CB 2.478 40.874 38.460 -0.107 0.000 1.310 425 Y HN 0.566 8.376 8.280 -0.783 0.000 0.460 426 Q N 1.253 121.111 119.800 0.097 0.000 2.312 426 Q HA 0.620 5.069 4.340 -0.075 -0.154 0.263 426 Q C -1.287 174.784 176.000 0.118 0.000 0.995 426 Q CA -2.198 53.622 55.803 0.027 0.000 0.853 426 Q CB 3.991 32.736 28.738 0.012 0.000 1.300 426 Q HN 0.233 8.505 8.270 0.182 0.107 0.448 427 L N 2.987 124.242 121.223 0.054 0.000 2.400 427 L HA 0.534 5.039 4.340 0.010 -0.158 0.264 427 L C 1.693 178.479 176.870 -0.139 0.000 1.061 427 L CA -1.965 52.874 54.840 -0.001 0.000 0.799 427 L CB 2.449 44.523 42.059 0.026 0.000 1.240 427 L HN 0.369 8.603 8.230 0.005 0.000 0.461 428 C N -1.772 117.297 119.300 -0.386 0.000 2.449 428 C HA -0.214 3.992 4.460 -0.424 0.000 0.283 428 C C 0.447 175.233 174.990 -0.339 0.000 1.453 428 C CA 1.850 60.516 59.018 -0.587 0.000 1.779 428 C CB -0.094 26.708 27.740 -1.563 0.000 1.779 428 C HN 0.268 8.214 8.230 -0.472 0.000 0.546 429 D N -0.342 119.950 120.400 -0.179 0.000 2.319 429 D HA -0.112 4.454 4.640 -0.124 0.000 0.230 429 D C -0.307 175.969 176.300 -0.039 0.000 1.094 429 D CA -0.267 53.684 54.000 -0.082 0.000 0.856 429 D CB -1.041 39.783 40.800 0.040 0.000 0.915 429 D HN -0.006 8.261 8.370 -0.103 0.041 0.517 430 N N -6.057 112.608 118.700 -0.058 0.000 2.936 430 N HA -0.445 4.268 4.740 -0.045 0.000 0.236 430 N C -0.851 174.641 175.510 -0.030 0.000 0.930 430 N CA 1.907 54.934 53.050 -0.038 0.000 0.966 430 N CB -1.547 36.925 38.487 -0.026 0.000 1.090 430 N HN 0.076 8.317 8.380 -0.086 0.087 0.592 431 S N -0.780 114.901 115.700 -0.033 0.000 2.589 431 S HA 0.077 4.612 4.470 -0.047 -0.093 0.265 431 S C -0.168 174.360 174.600 -0.121 0.000 1.342 431 S CA 0.841 58.999 58.200 -0.070 0.000 1.005 431 S CB 1.309 64.435 63.200 -0.123 0.000 0.909 431 S HN -0.556 7.964 8.310 -0.019 -0.221 0.555 432 V N -8.044 111.761 119.914 -0.181 0.000 3.040 432 V HA 0.963 5.012 4.120 -0.352 -0.141 0.312 432 V C -1.048 174.750 176.094 -0.494 0.000 1.115 432 V CA -3.165 58.947 62.300 -0.312 0.000 0.998 432 V CB 3.877 35.579 31.823 -0.201 0.000 1.042 432 V HN 0.073 8.166 8.190 -0.161 0.000 0.433 433 G N -0.730 107.489 108.800 -0.968 0.000 2.649 433 G HA2 0.846 4.634 3.960 -0.529 0.000 0.290 433 G HA3 0.846 4.211 3.960 -0.991 0.000 0.290 433 G C -3.072 171.220 174.900 -1.014 0.000 1.426 433 G CA -0.539 43.996 45.100 -0.941 0.000 0.794 433 G HN 0.193 7.735 8.290 -1.247 0.000 0.483 434 V N -1.620 117.948 119.914 -0.576 0.000 2.760 434 V HA 0.666 4.629 4.120 -0.600 -0.203 0.309 434 V C -2.185 173.671 176.094 -0.396 0.000 1.077 434 V CA -1.676 60.260 62.300 -0.607 0.000 0.910 434 V CB 4.533 35.788 31.823 -0.945 0.000 1.008 434 V HN 0.232 8.171 8.190 -0.420 0.000 0.424 435 L N 6.198 127.276 121.223 -0.243 0.000 2.283 435 L HA 0.504 4.806 4.340 -0.063 0.000 0.281 435 L C -1.766 175.063 176.870 -0.067 0.000 1.033 435 L CA -1.675 53.121 54.840 -0.074 0.000 0.848 435 L CB 1.137 43.255 42.059 0.099 0.000 1.226 435 L HN 0.060 8.161 8.230 -0.215 0.000 0.429 436 F N 6.119 126.141 119.950 0.121 0.000 2.444 436 F HA 0.137 4.909 4.527 0.190 -0.130 0.331 436 F C 1.622 177.517 175.800 0.157 0.000 1.167 436 F CA 0.730 58.824 58.000 0.156 0.000 1.262 436 F CB 0.981 40.065 39.000 0.141 0.000 1.196 436 F HN 0.391 8.740 8.300 0.081 0.000 0.583 437 N N 0.895 119.828 118.700 0.389 0.000 2.289 437 N HA -0.248 4.638 4.740 0.243 0.000 0.184 437 N C 0.350 175.969 175.510 0.182 0.000 1.016 437 N CA 2.367 55.566 53.050 0.249 0.000 0.872 437 N CB -0.393 38.212 38.487 0.197 0.000 0.973 437 N HN 0.231 8.878 8.380 0.445 0.000 0.433 438 D N -4.032 116.480 120.400 0.187 0.000 2.324 438 D HA -0.007 4.687 4.640 0.090 0.000 0.235 438 D C -0.236 176.130 176.300 0.109 0.000 1.095 438 D CA -0.357 53.713 54.000 0.116 0.000 0.871 438 D CB -0.909 39.939 40.800 0.079 0.000 0.906 438 D HN 0.001 8.489 8.370 0.235 0.023 0.522 439 S N -4.489 111.296 115.700 0.142 0.000 3.228 439 S HA -0.367 4.171 4.470 0.113 0.000 0.282 439 S C -0.674 173.962 174.600 0.060 0.000 1.286 439 S CA 1.931 60.190 58.200 0.098 0.000 1.066 439 S CB -1.400 61.835 63.200 0.058 0.000 1.277 439 S HN -0.082 8.153 8.310 0.186 0.187 0.661 440 T N -2.400 112.218 114.554 0.108 0.000 2.902 440 T HA 0.378 4.751 4.350 -0.127 -0.099 0.280 440 T C -0.899 173.859 174.700 0.097 0.000 0.992 440 T CA -1.127 60.976 62.100 0.006 0.000 1.015 440 T CB 2.373 71.242 68.868 0.002 0.000 1.044 440 T HN -0.447 8.126 8.240 0.181 -0.224 0.520 441 R N -1.485 118.943 120.500 -0.121 0.000 2.744 441 R HA 0.896 5.401 4.340 -0.011 -0.171 0.279 441 R C -2.080 174.208 176.300 -0.020 0.000 0.977 441 R CA -1.193 54.854 56.100 -0.088 0.000 0.906 441 R CB 4.549 34.685 30.300 -0.273 0.000 1.197 441 R HN 0.081 8.132 8.270 -0.366 0.000 0.463 442 L N 2.361 123.620 121.223 0.060 0.000 2.410 442 L HA 0.805 5.425 4.340 0.175 -0.174 0.270 442 L C -2.290 174.561 176.870 -0.031 0.000 0.983 442 L CA -0.875 54.052 54.840 0.145 0.000 0.822 442 L CB 4.431 46.703 42.059 0.354 0.000 1.285 442 L HN -0.103 8.095 8.230 -0.053 0.000 0.409 443 I N 4.351 124.908 120.570 -0.023 0.000 2.509 443 I HA 0.439 4.644 4.170 -0.168 -0.136 0.293 443 I C -2.237 173.862 176.117 -0.029 0.000 1.020 443 I CA -1.064 60.178 61.300 -0.097 0.000 1.088 443 I CB 3.803 41.725 38.000 -0.129 0.000 1.267 443 I HN 0.738 8.964 8.210 0.027 0.000 0.430 444 L N 6.633 127.815 121.223 -0.069 0.000 2.319 444 L HA 0.701 5.302 4.340 0.139 -0.178 0.281 444 L C -1.620 175.269 176.870 0.031 0.000 1.005 444 L CA -1.782 53.082 54.840 0.039 0.000 0.828 444 L CB 3.076 45.148 42.059 0.022 0.000 1.227 444 L HN 0.509 8.656 8.230 -0.139 0.000 0.415 445 Y N 5.290 125.597 120.300 0.011 0.000 2.385 445 Y HA -0.129 4.429 4.550 0.014 0.000 0.346 445 Y C 1.521 177.426 175.900 0.009 0.000 1.270 445 Y CA 1.408 59.518 58.100 0.017 0.000 1.472 445 Y CB 0.891 39.371 38.460 0.035 0.000 1.354 445 Y HN 0.300 8.896 8.280 0.527 0.000 0.611 446 N N -0.093 118.716 118.700 0.182 0.000 2.571 446 N HA -0.263 4.514 4.740 0.062 0.000 0.189 446 N C -0.387 175.176 175.510 0.089 0.000 1.154 446 N CA 1.137 54.244 53.050 0.095 0.000 0.907 446 N CB -0.742 37.785 38.487 0.066 0.000 0.977 446 N HN 0.540 9.048 8.380 0.214 0.000 0.449 447 D N -3.911 116.560 120.400 0.118 0.000 2.363 447 D HA -0.099 4.571 4.640 0.050 0.000 0.220 447 D C 0.834 177.168 176.300 0.057 0.000 0.994 447 D CA -0.359 53.682 54.000 0.067 0.000 0.890 447 D CB -0.713 40.111 40.800 0.039 0.000 0.906 447 D HN -0.064 8.355 8.370 0.176 0.056 0.530 448 G N -0.574 108.270 108.800 0.073 0.000 2.184 448 G HA2 -0.495 3.497 3.960 0.053 0.000 0.264 448 G HA3 -0.495 3.490 3.960 0.041 0.000 0.264 448 G C -0.732 174.203 174.900 0.059 0.000 0.975 448 G CA 0.630 45.763 45.100 0.055 0.000 0.642 448 G HN -0.129 8.062 8.290 0.096 0.157 0.536 449 D N -0.935 119.507 120.400 0.069 0.000 2.212 449 D HA 0.180 4.859 4.640 0.064 0.000 0.311 449 D C -0.959 175.387 176.300 0.077 0.000 1.091 449 D CA 0.090 54.127 54.000 0.062 0.000 0.910 449 D CB 2.418 43.241 40.800 0.039 0.000 1.707 449 D HN 0.026 8.734 8.370 0.078 -0.292 0.522 450 S N 2.636 118.381 115.700 0.074 0.000 2.505 450 S HA 0.077 4.579 4.470 0.054 0.000 0.276 450 S C -1.136 173.608 174.600 0.240 0.000 1.274 450 S CA 1.299 59.539 58.200 0.067 0.000 1.053 450 S CB 0.624 63.715 63.200 -0.181 0.000 0.919 450 S HN -0.241 8.461 8.310 0.066 -0.352 0.490 451 L N 4.289 125.639 121.223 0.213 0.000 2.346 451 L HA 0.826 5.523 4.340 0.238 -0.215 0.276 451 L C -1.357 175.674 176.870 0.268 0.000 1.006 451 L CA -1.537 53.436 54.840 0.222 0.000 0.817 451 L CB 3.463 45.597 42.059 0.126 0.000 1.272 451 L HN 0.453 8.784 8.230 0.168 0.000 0.421 452 Q N 3.060 123.011 119.800 0.252 0.000 2.330 452 Q HA 0.636 5.223 4.340 0.110 -0.181 0.269 452 Q C -2.021 174.030 176.000 0.086 0.000 1.022 452 Q CA -1.930 53.969 55.803 0.160 0.000 0.796 452 Q CB 4.122 32.999 28.738 0.233 0.000 1.271 452 Q HN 0.434 8.836 8.270 0.220 0.000 0.450 453 Y N 8.646 128.876 120.300 -0.116 0.000 2.352 453 Y HA 0.675 5.359 4.550 -0.064 -0.172 0.339 453 Y C -2.204 173.604 175.900 -0.154 0.000 0.992 453 Y CA -2.024 56.017 58.100 -0.099 0.000 1.100 453 Y CB 3.557 41.974 38.460 -0.070 0.000 1.192 453 Y HN 0.470 8.773 8.280 0.039 0.000 0.458 454 I N 7.338 127.476 120.570 -0.720 0.000 2.382 454 I HA 0.481 4.593 4.170 -0.450 -0.212 0.285 454 I C -0.676 174.991 176.117 -0.749 0.000 1.007 454 I CA -1.462 59.473 61.300 -0.609 0.000 1.142 454 I CB 1.819 39.508 38.000 -0.519 0.000 1.289 454 I HN 0.618 8.350 8.210 -0.797 0.000 0.453 455 E N 7.598 127.498 120.200 -0.499 0.000 2.422 455 E HA -0.103 4.058 4.350 -0.315 0.000 0.260 455 E C 1.375 177.872 176.600 -0.173 0.000 1.108 455 E CA 0.749 56.985 56.400 -0.274 0.000 0.943 455 E CB 0.694 30.344 29.700 -0.084 0.000 0.961 455 E HN -0.400 7.741 8.360 -0.366 0.000 0.443 456 R N 2.482 122.927 120.500 -0.092 0.000 2.133 456 R HA -0.381 3.929 4.340 -0.050 0.000 0.247 456 R C -0.255 176.021 176.300 -0.039 0.000 1.151 456 R CA 2.449 58.520 56.100 -0.048 0.000 0.971 456 R CB -0.962 29.331 30.300 -0.013 0.000 0.866 456 R HN 0.559 8.790 8.270 -0.066 0.000 0.447 457 D N -3.888 116.490 120.400 -0.036 0.000 2.325 457 D HA -0.018 4.614 4.640 -0.012 0.000 0.225 457 D C 0.294 176.578 176.300 -0.027 0.000 1.096 457 D CA -0.878 53.109 54.000 -0.021 0.000 0.844 457 D CB -0.767 40.027 40.800 -0.010 0.000 0.925 457 D HN -0.518 7.810 8.370 -0.037 0.019 0.513 458 G N -0.176 108.590 108.800 -0.056 0.000 2.234 458 G HA2 -0.381 3.537 3.960 -0.070 0.000 0.235 458 G HA3 -0.381 3.567 3.960 -0.020 0.000 0.235 458 G C -0.050 174.811 174.900 -0.065 0.000 0.997 458 G CA 0.025 45.093 45.100 -0.053 0.000 0.623 458 G HN 0.021 8.084 8.290 -0.082 0.178 0.514 459 T N 4.381 118.898 114.554 -0.062 0.000 2.867 459 T HA -0.263 4.069 4.350 -0.029 0.000 0.297 459 T C -0.805 173.825 174.700 -0.117 0.000 0.989 459 T CA 2.025 64.093 62.100 -0.054 0.000 1.159 459 T CB 0.403 69.258 68.868 -0.023 0.000 0.928 459 T HN -0.548 7.907 8.240 -0.054 -0.248 0.538 460 E N 6.587 126.707 120.200 -0.133 0.000 2.227 460 E HA 0.454 4.843 4.350 -0.292 -0.214 0.282 460 E C -0.723 175.608 176.600 -0.449 0.000 1.015 460 E CA -0.641 55.582 56.400 -0.296 0.000 0.823 460 E CB 1.856 31.390 29.700 -0.276 0.000 1.081 460 E HN 0.253 8.567 8.360 -0.076 0.000 0.396 461 S N 3.610 119.040 115.700 -0.449 0.000 2.503 461 S HA 0.310 4.554 4.470 -0.377 0.000 0.301 461 S C -1.730 172.559 174.600 -0.519 0.000 1.087 461 S CA -0.833 57.141 58.200 -0.377 0.000 1.042 461 S CB 1.716 64.889 63.200 -0.045 0.000 1.043 461 S HN 0.362 8.481 8.310 -0.318 0.000 0.489 462 Y N 2.497 122.853 120.300 0.093 0.000 2.356 462 Y HA 0.573 5.351 4.550 0.107 -0.163 0.334 462 Y C -0.030 175.913 175.900 0.071 0.000 0.958 462 Y CA -0.975 57.176 58.100 0.084 0.000 1.196 462 Y CB 0.666 39.159 38.460 0.055 0.000 1.137 462 Y HN 0.410 8.702 8.280 0.020 0.000 0.485 463 L N 3.559 124.888 121.223 0.177 0.000 2.183 463 L HA 0.517 4.933 4.340 0.126 0.000 0.253 463 L C -1.197 175.750 176.870 0.129 0.000 1.048 463 L CA -1.453 53.467 54.840 0.133 0.000 0.890 463 L CB 3.774 45.897 42.059 0.106 0.000 1.476 463 L HN 0.492 8.831 8.230 0.182 0.000 0.455 464 T N -5.473 109.158 114.554 0.130 0.000 2.864 464 T HA 0.697 5.274 4.350 0.106 -0.164 0.299 464 T C -0.049 174.750 174.700 0.165 0.000 1.166 464 T CA -2.283 59.886 62.100 0.116 0.000 1.007 464 T CB 3.161 72.077 68.868 0.080 0.000 1.219 464 T HN -0.242 8.088 8.240 0.150 0.000 0.506 465 V N 0.816 120.810 119.914 0.134 0.000 2.515 465 V HA -0.294 3.916 4.120 0.150 0.000 0.250 465 V C 0.679 176.905 176.094 0.221 0.000 1.058 465 V CA 3.536 65.931 62.300 0.158 0.000 1.064 465 V CB 0.261 32.139 31.823 0.092 0.000 0.675 465 V HN 0.281 8.655 8.190 0.103 -0.123 0.461 466 S N -2.506 113.270 115.700 0.126 0.000 2.446 466 S HA -0.054 4.451 4.470 0.058 0.000 0.225 466 S C 0.411 175.013 174.600 0.003 0.000 1.016 466 S CA 1.155 59.391 58.200 0.061 0.000 0.943 466 S CB 0.815 64.034 63.200 0.033 0.000 0.786 466 S HN -0.538 7.939 8.310 0.101 -0.106 0.508 467 S N 2.319 118.036 115.700 0.029 0.000 2.789 467 S HA 0.312 4.697 4.470 -0.141 0.000 0.286 467 S C -2.035 172.580 174.600 0.025 0.000 1.153 467 S CA -0.457 57.716 58.200 -0.044 0.000 1.084 467 S CB 1.470 64.660 63.200 -0.017 0.000 1.036 467 S HN -0.351 7.920 8.310 0.083 0.090 0.484 468 H N 2.116 121.181 119.070 -0.009 0.000 3.014 468 H HA 0.365 4.912 4.556 -0.016 0.000 0.337 468 H C -3.098 172.209 175.328 -0.036 0.000 1.320 468 H CA -2.310 53.726 56.048 -0.021 0.000 1.128 468 H CB -0.312 29.434 29.762 -0.026 0.000 1.862 468 H HN -0.136 7.882 8.280 -0.437 0.000 0.536 469 P HA 0.019 4.438 4.420 -0.001 0.000 0.268 469 P C -0.168 177.214 177.300 0.136 0.000 1.204 469 P CA -0.623 62.511 63.100 0.055 0.000 0.768 469 P CB 0.675 32.380 31.700 0.009 0.000 0.842 470 N N 2.462 121.181 118.700 0.032 0.000 2.443 470 N HA -0.336 4.462 4.740 0.096 0.000 0.184 470 N C 1.722 177.247 175.510 0.025 0.000 1.037 470 N CA 2.318 55.394 53.050 0.044 0.000 0.896 470 N CB 0.062 38.545 38.487 -0.007 0.000 0.959 470 N HN 0.378 8.751 8.380 -0.011 0.000 0.442 471 S N -1.260 114.433 115.700 -0.011 0.000 2.442 471 S HA -0.192 4.249 4.470 -0.050 0.000 0.236 471 S C 0.947 175.482 174.600 -0.109 0.000 1.007 471 S CA 2.387 60.552 58.200 -0.057 0.000 0.965 471 S CB -0.433 62.725 63.200 -0.070 0.000 0.773 471 S HN -0.000 8.265 8.310 -0.010 0.038 0.504 472 L N -0.391 120.765 121.223 -0.111 0.000 2.667 472 L HA 0.311 4.483 4.340 -0.280 0.000 0.232 472 L C 0.459 177.213 176.870 -0.193 0.000 1.138 472 L CA -1.033 53.668 54.840 -0.232 0.000 0.921 472 L CB 0.206 42.058 42.059 -0.344 0.000 1.180 472 L HN -0.403 7.756 8.230 -0.034 0.051 0.487 473 M N 1.363 120.923 119.600 -0.067 0.000 2.073 473 M HA -0.474 4.004 4.480 -0.004 0.000 0.258 473 M C 1.072 177.328 176.300 -0.074 0.000 1.070 473 M CA 3.507 58.793 55.300 -0.024 0.000 1.103 473 M CB -0.479 32.144 32.600 0.038 0.000 1.321 473 M HN -0.561 7.555 8.290 -0.017 0.164 0.405 474 K N -2.437 117.910 120.400 -0.090 0.000 2.057 474 K HA -0.395 3.876 4.320 -0.082 0.000 0.207 474 K C 2.239 178.766 176.600 -0.122 0.000 1.049 474 K CA 3.527 59.754 56.287 -0.101 0.000 0.931 474 K CB -0.619 31.819 32.500 -0.104 0.000 0.714 474 K HN 0.348 8.544 8.250 -0.090 0.000 0.440 475 K N -1.553 118.744 120.400 -0.173 0.000 2.103 475 K HA -0.219 4.010 4.320 -0.151 0.000 0.204 475 K C 2.680 179.318 176.600 0.064 0.000 1.052 475 K CA 2.964 59.164 56.287 -0.145 0.000 0.945 475 K CB -0.169 32.116 32.500 -0.359 0.000 0.722 475 K HN -0.260 7.869 8.250 -0.201 0.000 0.443 476 I N 0.127 120.661 120.570 -0.060 0.000 2.353 476 I HA -0.445 3.727 4.170 0.004 0.000 0.248 476 I C 1.602 177.719 176.117 -0.001 0.000 1.119 476 I CA 3.869 65.132 61.300 -0.062 0.000 1.417 476 I CB -0.077 37.755 38.000 -0.280 0.000 1.078 476 I HN -0.031 8.097 8.210 -0.137 0.000 0.421 477 T N 2.654 117.196 114.554 -0.019 0.000 2.746 477 T HA -0.401 3.958 4.350 0.015 0.000 0.267 477 T C 1.648 176.357 174.700 0.015 0.000 1.039 477 T CA 5.169 67.267 62.100 -0.003 0.000 1.142 477 T CB -0.075 68.775 68.868 -0.031 0.000 0.866 477 T HN -0.161 8.051 8.240 -0.047 0.000 0.444 478 L N 0.594 121.819 121.223 0.003 0.000 2.046 478 L HA -0.342 3.898 4.340 -0.166 0.000 0.208 478 L C 1.484 178.480 176.870 0.210 0.000 1.077 478 L CA 3.080 57.919 54.840 -0.002 0.000 0.747 478 L CB -0.333 41.763 42.059 0.061 0.000 0.896 478 L HN -0.383 7.771 8.230 -0.002 0.075 0.432 479 L N -1.133 120.256 121.223 0.277 0.000 2.083 479 L HA -0.446 4.145 4.340 0.418 0.000 0.209 479 L C 1.397 178.385 176.870 0.197 0.000 1.083 479 L CA 3.523 58.529 54.840 0.277 0.000 0.752 479 L CB -0.200 41.953 42.059 0.158 0.000 0.899 479 L HN -0.021 8.360 8.230 0.252 0.000 0.433 480 K N -1.340 119.137 120.400 0.128 0.000 2.097 480 K HA -0.437 3.927 4.320 0.074 0.000 0.206 480 K C 2.109 178.768 176.600 0.099 0.000 1.049 480 K CA 3.573 59.914 56.287 0.091 0.000 0.933 480 K CB -0.338 32.201 32.500 0.065 0.000 0.717 480 K HN -0.378 7.938 8.250 0.111 0.000 0.442 481 Y N 1.411 121.704 120.300 -0.011 0.000 2.145 481 Y HA -0.431 4.112 4.550 -0.011 0.000 0.286 481 Y C 1.363 177.269 175.900 0.009 0.000 1.145 481 Y CA 3.756 61.824 58.100 -0.055 0.000 1.148 481 Y CB 0.035 38.374 38.460 -0.202 0.000 0.981 481 Y HN -0.472 7.846 8.280 0.197 0.080 0.507 482 F N -2.315 117.671 119.950 0.060 0.000 2.134 482 F HA -0.493 3.984 4.527 -0.084 0.000 0.299 482 F C 2.128 177.895 175.800 -0.054 0.000 1.097 482 F CA 4.261 62.248 58.000 -0.021 0.000 1.264 482 F CB -0.092 38.924 39.000 0.026 0.000 1.001 482 F HN -0.317 8.116 8.300 0.222 0.000 0.479 483 R N -1.074 119.512 120.500 0.144 0.000 2.083 483 R HA -0.505 3.863 4.340 0.047 0.000 0.237 483 R C 1.871 178.176 176.300 0.008 0.000 1.137 483 R CA 4.093 60.226 56.100 0.054 0.000 0.951 483 R CB -0.205 30.113 30.300 0.031 0.000 0.851 483 R HN 0.007 8.376 8.270 0.164 0.000 0.434 484 N N -1.676 117.008 118.700 -0.028 0.000 2.188 484 N HA -0.312 4.388 4.740 -0.067 0.000 0.184 484 N C 1.959 177.401 175.510 -0.112 0.000 1.018 484 N CA 3.389 56.396 53.050 -0.073 0.000 0.858 484 N CB 0.186 38.634 38.487 -0.066 0.000 0.989 484 N HN -0.145 8.220 8.380 -0.024 0.000 0.426 485 Y N 1.985 122.122 120.300 -0.272 0.000 2.145 485 Y HA -0.481 3.984 4.550 -0.141 0.000 0.286 485 Y C 1.447 177.308 175.900 -0.066 0.000 1.145 485 Y CA 4.126 62.102 58.100 -0.206 0.000 1.148 485 Y CB 0.340 38.563 38.460 -0.395 0.000 0.981 485 Y HN -0.117 8.088 8.280 -0.125 0.000 0.507 486 M N -2.462 117.235 119.600 0.162 0.000 2.159 486 M HA -0.560 4.004 4.480 0.140 0.000 0.263 486 M C 2.174 178.439 176.300 -0.058 0.000 1.063 486 M CA 4.375 59.731 55.300 0.093 0.000 1.110 486 M CB -0.161 32.505 32.600 0.109 0.000 1.374 486 M HN -0.002 8.402 8.290 0.190 0.000 0.411 487 S N -0.996 114.653 115.700 -0.085 0.000 2.368 487 S HA -0.291 4.126 4.470 -0.089 0.000 0.224 487 S C 1.933 176.412 174.600 -0.200 0.000 1.029 487 S CA 2.668 60.799 58.200 -0.115 0.000 0.988 487 S CB 0.011 63.156 63.200 -0.092 0.000 0.838 487 S HN -0.439 7.832 8.310 -0.065 0.000 0.462 488 E N -0.458 119.542 120.200 -0.333 0.000 2.107 488 E HA -0.176 3.935 4.350 -0.398 0.000 0.191 488 E C 1.530 177.765 176.600 -0.608 0.000 0.982 488 E CA 2.146 58.220 56.400 -0.544 0.000 0.809 488 E CB 0.379 29.559 29.700 -0.865 0.000 0.756 488 E HN -0.464 7.698 8.360 -0.330 0.000 0.459 489 H N -4.822 114.043 119.070 -0.341 0.000 3.017 489 H HA 0.168 4.558 4.556 -0.275 0.000 0.255 489 H C -0.193 174.998 175.328 -0.229 0.000 0.990 489 H CA 0.601 56.439 56.048 -0.351 0.000 1.205 489 H CB 2.383 31.757 29.762 -0.647 0.000 1.460 489 H HN -0.481 7.545 8.280 -0.423 0.000 0.478 490 L N -0.494 120.680 121.223 -0.081 0.000 2.334 490 L HA 0.230 4.536 4.340 -0.057 0.000 0.276 490 L C -0.962 175.877 176.870 -0.051 0.000 1.014 490 L CA -1.253 53.553 54.840 -0.057 0.000 0.815 490 L CB 1.731 43.766 42.059 -0.041 0.000 1.268 490 L HN -0.580 7.586 8.230 -0.106 0.000 0.428 491 L N 0.449 121.644 121.223 -0.047 0.000 2.473 491 L HA -0.096 4.225 4.340 -0.031 0.000 0.268 491 L C -0.079 176.788 176.870 -0.005 0.000 1.215 491 L CA -0.146 54.676 54.840 -0.030 0.000 0.823 491 L CB 0.337 42.375 42.059 -0.035 0.000 1.099 491 L HN 0.138 8.336 8.230 -0.054 0.000 0.483 492 K N 1.264 121.672 120.400 0.014 0.000 2.263 492 K HA 0.010 4.482 4.320 0.056 -0.119 0.282 492 K C -0.320 176.340 176.600 0.100 0.000 1.089 492 K CA -0.758 55.560 56.287 0.052 0.000 0.907 492 K CB 0.248 32.772 32.500 0.039 0.000 1.148 492 K HN 0.080 8.334 8.250 0.007 0.000 0.470 493 A N 6.419 129.331 122.820 0.154 0.000 2.498 493 A HA -0.119 4.267 4.320 0.111 0.000 0.239 493 A C 0.741 178.507 177.584 0.303 0.000 1.068 493 A CA 0.909 53.057 52.037 0.185 0.000 0.766 493 A CB -0.072 19.060 19.000 0.220 0.000 1.003 493 A HN 0.499 8.637 8.150 0.156 0.106 0.497 494 G N 1.448 110.311 108.800 0.106 0.000 2.198 494 G HA2 -0.352 3.486 3.960 -0.203 0.000 0.260 494 G HA3 -0.352 3.594 3.960 -0.023 0.000 0.260 494 G C 0.297 175.291 174.900 0.156 0.000 1.025 494 G CA 0.985 46.089 45.100 0.007 0.000 0.769 494 G HN 0.455 8.760 8.290 0.026 0.000 0.507 495 A N 0.317 123.201 122.820 0.107 0.000 2.019 495 A HA -0.275 4.107 4.320 0.105 0.000 0.219 495 A C -0.345 177.268 177.584 0.048 0.000 1.164 495 A CA 2.174 54.261 52.037 0.083 0.000 0.644 495 A CB -0.351 18.678 19.000 0.049 0.000 0.805 495 A HN -0.613 7.568 8.150 0.085 0.020 0.449 496 N N -4.265 114.442 118.700 0.012 0.000 2.314 496 N HA -0.062 4.709 4.740 0.052 0.000 0.200 496 N C -1.201 174.270 175.510 -0.066 0.000 1.135 496 N CA -0.241 52.827 53.050 0.030 0.000 0.835 496 N CB -0.701 37.856 38.487 0.117 0.000 0.989 496 N HN 0.067 8.411 8.380 -0.005 0.032 0.478 497 I N 1.290 121.734 120.570 -0.210 0.000 2.378 497 I HA 0.084 3.945 4.170 -0.515 0.000 0.291 497 I C -0.845 175.282 176.117 0.018 0.000 0.992 497 I CA -0.458 60.604 61.300 -0.396 0.000 1.154 497 I CB 1.385 38.889 38.000 -0.827 0.000 1.315 497 I HN -0.585 7.400 8.210 -0.094 0.170 0.448 498 T N 10.383 124.957 114.554 0.033 0.000 2.729 498 T HA 0.321 4.709 4.350 0.064 0.000 0.296 498 T C -1.536 173.228 174.700 0.106 0.000 0.928 498 T CA -2.163 59.979 62.100 0.071 0.000 1.045 498 T CB -0.102 68.798 68.868 0.054 0.000 0.902 498 T HN 0.059 8.313 8.240 0.023 0.000 0.500 499 P HA 0.009 4.687 4.420 0.294 -0.081 0.274 499 P C -0.948 176.360 177.300 0.014 0.000 1.237 499 P CA -0.844 62.324 63.100 0.113 0.000 0.793 499 P CB 0.955 32.577 31.700 -0.130 0.000 0.977 500 R N 1.030 121.539 120.500 0.014 0.000 2.679 500 R HA -0.094 4.244 4.340 -0.003 0.000 0.268 500 R C -0.219 176.031 176.300 -0.082 0.000 1.044 500 R CA 0.741 56.829 56.100 -0.020 0.000 1.105 500 R CB 0.778 31.077 30.300 -0.001 0.000 0.989 500 R HN -0.015 8.290 8.270 0.058 0.000 0.447 501 E N 3.509 123.676 120.200 -0.056 0.000 2.289 501 E HA 0.031 4.322 4.350 -0.098 0.000 0.278 501 E C -0.058 176.508 176.600 -0.056 0.000 1.032 501 E CA -0.174 56.186 56.400 -0.066 0.000 0.854 501 E CB 0.618 30.298 29.700 -0.033 0.000 1.046 501 E HN 0.192 8.533 8.360 -0.032 0.000 0.409 502 G N 3.467 112.224 108.800 -0.071 0.000 2.425 502 G HA2 0.030 3.981 3.960 -0.014 0.000 0.302 502 G HA3 0.030 3.980 3.960 -0.016 0.000 0.302 502 G C -1.212 173.695 174.900 0.012 0.000 1.159 502 G CA -0.531 44.555 45.100 -0.023 0.000 0.865 502 G HN 0.190 8.422 8.290 -0.096 0.000 0.515 503 D N 1.637 122.055 120.400 0.031 0.000 2.475 503 D HA -0.058 4.597 4.640 0.026 0.000 0.286 503 D C 1.330 177.658 176.300 0.046 0.000 1.205 503 D CA -1.029 52.990 54.000 0.033 0.000 1.092 503 D CB 0.684 41.503 40.800 0.031 0.000 1.147 503 D HN -0.487 7.905 8.370 0.037 0.000 0.575 504 E N -1.552 118.673 120.200 0.041 0.000 2.086 504 E HA -0.218 4.155 4.350 0.040 0.000 0.200 504 E C 0.938 177.571 176.600 0.055 0.000 1.012 504 E CA 2.207 58.633 56.400 0.042 0.000 0.812 504 E CB -0.222 29.498 29.700 0.034 0.000 0.743 504 E HN 0.279 8.661 8.360 0.035 0.000 0.453 505 L N -2.995 118.264 121.223 0.059 0.000 2.607 505 L HA 0.089 4.468 4.340 0.065 0.000 0.228 505 L C 0.038 176.960 176.870 0.087 0.000 1.123 505 L CA -0.539 54.342 54.840 0.067 0.000 0.890 505 L CB 0.642 42.736 42.059 0.059 0.000 1.103 505 L HN -0.667 7.829 8.230 0.056 -0.233 0.468 506 A N -0.069 122.813 122.820 0.104 0.000 3.052 506 A HA -0.033 4.373 4.320 0.143 0.000 0.266 506 A C -0.407 177.302 177.584 0.208 0.000 1.855 506 A CA -0.444 51.686 52.037 0.155 0.000 1.473 506 A CB -1.689 17.405 19.000 0.156 0.000 1.038 506 A HN -0.492 7.828 8.150 0.093 -0.115 0.619 507 R N 1.805 122.386 120.500 0.135 0.000 2.801 507 R HA -0.137 4.296 4.340 0.154 0.000 0.273 507 R C -0.435 175.864 176.300 -0.001 0.000 1.080 507 R CA -0.609 55.558 56.100 0.113 0.000 1.197 507 R CB 0.316 30.671 30.300 0.092 0.000 1.109 507 R HN -0.488 7.803 8.270 0.105 0.042 0.535 508 L N 2.204 123.374 121.223 -0.089 0.000 2.534 508 L HA 0.006 3.819 4.340 -0.879 0.000 0.271 508 L C -0.998 175.619 176.870 -0.421 0.000 1.178 508 L CA -1.171 53.393 54.840 -0.460 0.000 0.907 508 L CB -0.114 41.682 42.059 -0.437 0.000 1.164 508 L HN 0.291 8.533 8.230 0.020 0.000 0.482 509 P HA 0.178 4.335 4.420 -0.438 0.000 0.278 509 P C -1.988 175.134 177.300 -0.297 0.000 1.266 509 P CA -0.954 61.866 63.100 -0.467 0.000 0.807 509 P CB 1.576 32.995 31.700 -0.468 0.000 1.094 510 Y N -6.931 113.258 120.300 -0.185 0.000 2.698 510 Y HA 0.316 4.835 4.550 -0.052 0.000 0.332 510 Y C -1.759 174.024 175.900 -0.195 0.000 1.119 510 Y CA -3.164 54.867 58.100 -0.114 0.000 1.109 510 Y CB 1.075 39.500 38.460 -0.057 0.000 1.308 510 Y HN -0.208 7.510 8.280 -0.937 0.000 0.499 511 L N 0.591 121.841 121.223 0.046 0.000 2.325 511 L HA 0.219 4.382 4.340 -0.295 0.000 0.284 511 L C 0.332 177.221 176.870 0.032 0.000 1.089 511 L CA -0.605 54.130 54.840 -0.173 0.000 0.836 511 L CB 0.459 42.288 42.059 -0.383 0.000 1.184 511 L HN 0.082 8.425 8.230 0.189 0.000 0.444 512 R N 7.943 128.373 120.500 -0.118 0.000 2.057 512 R HA 0.105 4.481 4.340 0.059 0.000 0.229 512 R C -0.223 176.097 176.300 0.033 0.000 1.136 512 R CA 1.340 57.390 56.100 -0.082 0.000 0.952 512 R CB 0.792 30.839 30.300 -0.422 0.000 0.848 512 R HN 0.598 8.707 8.270 -0.267 0.000 0.430 513 T N -5.413 109.179 114.554 0.063 0.000 2.769 513 T HA 0.193 4.660 4.350 0.196 0.000 0.306 513 T C -2.747 172.096 174.700 0.238 0.000 1.400 513 T CA -1.125 61.075 62.100 0.166 0.000 1.007 513 T CB 0.747 69.701 68.868 0.144 0.000 1.392 513 T HN -0.527 7.718 8.240 0.009 0.000 0.500 514 W N 0.204 121.511 121.300 0.012 0.000 3.066 514 W HA 0.974 5.681 4.660 -0.182 -0.156 0.330 514 W C -2.837 173.711 176.519 0.048 0.000 1.253 514 W CA -1.398 55.891 57.345 -0.095 0.000 1.187 514 W CB 2.988 32.337 29.460 -0.186 0.000 1.434 514 W HN 0.067 8.210 8.180 -0.063 0.000 0.572 515 F N -5.359 114.522 119.950 -0.115 0.000 2.773 515 F HA 0.517 4.560 4.527 -0.807 0.000 0.314 515 F C -2.707 173.108 175.800 0.024 0.000 1.160 515 F CA -1.227 56.574 58.000 -0.333 0.000 0.920 515 F CB 2.234 41.058 39.000 -0.293 0.000 1.323 515 F HN 0.039 8.174 8.300 -0.276 0.000 0.457 516 R N -0.124 120.552 120.500 0.294 0.000 2.750 516 R HA 0.828 5.400 4.340 0.180 -0.124 0.281 516 R C -1.086 175.439 176.300 0.376 0.000 0.972 516 R CA -1.584 54.702 56.100 0.310 0.000 0.912 516 R CB 3.182 33.723 30.300 0.401 0.000 1.187 516 R HN 0.233 8.655 8.270 0.255 0.000 0.464 517 T N -0.305 114.462 114.554 0.355 0.000 2.841 517 T HA 0.397 4.918 4.350 0.284 0.000 0.276 517 T C -0.135 174.783 174.700 0.363 0.000 1.003 517 T CA -2.167 60.132 62.100 0.331 0.000 0.995 517 T CB 1.968 71.047 68.868 0.353 0.000 1.260 517 T HN 0.429 8.850 8.240 0.302 0.000 0.581 518 R N -0.390 120.283 120.500 0.289 0.000 2.127 518 R HA -0.147 4.348 4.340 0.258 0.000 0.238 518 R C 0.749 177.278 176.300 0.382 0.000 1.134 518 R CA 2.295 58.562 56.100 0.279 0.000 0.975 518 R CB 0.200 30.615 30.300 0.192 0.000 0.865 518 R HN 0.570 8.989 8.270 0.248 0.000 0.447 519 S N -4.304 111.583 115.700 0.312 0.000 2.502 519 S HA 0.044 4.700 4.470 0.310 0.000 0.215 519 S C -1.167 173.381 174.600 -0.086 0.000 1.009 519 S CA 0.468 58.802 58.200 0.222 0.000 0.908 519 S CB 2.222 65.479 63.200 0.094 0.000 0.801 519 S HN -0.557 7.908 8.310 0.286 0.017 0.505 520 A N 0.161 122.798 122.820 -0.304 0.000 2.610 520 A HA 0.701 4.310 4.320 -1.430 -0.147 0.291 520 A C -3.012 174.146 177.584 -0.710 0.000 1.086 520 A CA -0.520 50.975 52.037 -0.904 0.000 0.677 520 A CB 3.001 21.542 19.000 -0.765 0.000 1.278 520 A HN -0.548 7.614 8.150 0.020 0.000 0.414 521 I N -0.448 119.658 120.570 -0.773 0.000 2.412 521 I HA 0.625 4.767 4.170 -0.257 -0.127 0.296 521 I C -2.470 173.360 176.117 -0.478 0.000 0.987 521 I CA -2.241 58.798 61.300 -0.435 0.000 1.180 521 I CB 3.502 41.181 38.000 -0.535 0.000 1.340 521 I HN -0.085 7.573 8.210 -0.919 0.000 0.455 522 I N 7.991 128.248 120.570 -0.522 0.000 2.389 522 I HA 0.506 4.579 4.170 -0.443 -0.169 0.288 522 I C -1.617 174.270 176.117 -0.384 0.000 0.999 522 I CA -1.799 59.154 61.300 -0.578 0.000 1.129 522 I CB 1.598 38.957 38.000 -1.068 0.000 1.288 522 I HN 0.470 8.366 8.210 -0.523 0.000 0.444 523 L N 6.721 127.800 121.223 -0.239 0.000 2.343 523 L HA 0.420 4.712 4.340 -0.080 0.000 0.278 523 L C -2.049 174.800 176.870 -0.034 0.000 0.996 523 L CA -1.061 53.697 54.840 -0.136 0.000 0.831 523 L CB 2.157 44.096 42.059 -0.200 0.000 1.232 523 L HN 0.851 8.944 8.230 -0.227 0.000 0.413 524 H N 5.835 124.843 119.070 -0.104 0.000 2.551 524 H HA 0.621 5.280 4.556 -0.082 -0.152 0.321 524 H C -1.496 173.772 175.328 -0.099 0.000 1.028 524 H CA -2.630 53.371 56.048 -0.078 0.000 1.215 524 H CB 1.613 31.358 29.762 -0.029 0.000 1.414 524 H HN 0.484 8.819 8.280 0.091 0.000 0.480 525 L N 6.227 127.347 121.223 -0.172 0.000 2.399 525 L HA 0.491 4.771 4.340 -0.358 -0.155 0.265 525 L C 1.612 178.212 176.870 -0.450 0.000 1.089 525 L CA -1.219 53.428 54.840 -0.320 0.000 0.802 525 L CB 1.425 43.358 42.059 -0.210 0.000 1.180 525 L HN 0.325 8.561 8.230 0.009 0.000 0.454 526 S N 1.944 117.338 115.700 -0.510 0.000 2.515 526 S HA -0.188 4.019 4.470 -0.437 0.000 0.231 526 S C 0.595 175.027 174.600 -0.280 0.000 0.987 526 S CA 2.563 60.462 58.200 -0.502 0.000 0.936 526 S CB -0.092 62.530 63.200 -0.963 0.000 0.766 526 S HN 0.413 8.389 8.310 -0.557 0.000 0.528 527 N N -1.211 117.330 118.700 -0.266 0.000 2.398 527 N HA -0.008 4.639 4.740 -0.154 0.000 0.188 527 N C 1.025 176.257 175.510 -0.463 0.000 1.122 527 N CA -0.255 52.662 53.050 -0.222 0.000 0.866 527 N CB -0.843 37.572 38.487 -0.119 0.000 0.970 527 N HN -0.339 7.832 8.380 -0.285 0.039 0.462 528 G N -1.020 107.544 108.800 -0.393 0.000 2.232 528 G HA2 -0.339 3.581 3.960 -0.066 0.000 0.226 528 G HA3 -0.339 3.035 3.960 -0.977 0.000 0.226 528 G C -0.050 174.812 174.900 -0.063 0.000 0.996 528 G CA 0.006 44.859 45.100 -0.411 0.000 0.626 528 G HN -0.205 7.786 8.290 -0.224 0.164 0.509 529 S N 2.925 118.595 115.700 -0.049 0.000 2.560 529 S HA -0.019 4.650 4.470 0.016 -0.189 0.284 529 S C -0.637 174.023 174.600 0.100 0.000 1.327 529 S CA 1.767 59.984 58.200 0.028 0.000 1.055 529 S CB 0.980 64.208 63.200 0.048 0.000 0.868 529 S HN -0.429 8.066 8.310 -0.094 -0.241 0.506 530 V N 3.262 123.209 119.914 0.055 0.000 2.444 530 V HA 0.382 4.701 4.120 0.054 -0.167 0.294 530 V C -1.967 174.132 176.094 0.008 0.000 1.022 530 V CA -1.203 61.113 62.300 0.025 0.000 0.850 530 V CB 2.681 34.479 31.823 -0.041 0.000 0.992 530 V HN 0.313 8.526 8.190 0.038 0.000 0.426 531 Q N 8.100 127.890 119.800 -0.017 0.000 2.316 531 Q HA 0.955 5.513 4.340 0.005 -0.214 0.264 531 Q C -1.727 174.207 176.000 -0.110 0.000 0.987 531 Q CA -2.185 53.604 55.803 -0.023 0.000 0.852 531 Q CB 3.996 32.744 28.738 0.017 0.000 1.287 531 Q HN 0.688 8.940 8.270 -0.030 0.000 0.448 532 I N 6.403 126.900 120.570 -0.120 0.000 2.439 532 I HA 0.612 4.778 4.170 -0.342 -0.202 0.285 532 I C -1.691 174.224 176.117 -0.338 0.000 1.021 532 I CA -1.454 59.672 61.300 -0.289 0.000 1.091 532 I CB 2.096 39.922 38.000 -0.291 0.000 1.242 532 I HN 0.526 8.701 8.210 -0.058 0.000 0.439 533 N N 6.646 125.113 118.700 -0.389 0.000 2.424 533 N HA 0.450 5.140 4.740 -0.083 0.000 0.271 533 N C -1.162 174.044 175.510 -0.507 0.000 0.985 533 N CA -1.351 51.556 53.050 -0.239 0.000 0.921 533 N CB 1.797 40.287 38.487 0.004 0.000 1.149 533 N HN 0.049 8.177 8.380 -0.419 0.000 0.492 534 F N 2.494 122.343 119.950 -0.168 0.000 2.411 534 F HA 0.277 4.726 4.527 -0.412 -0.169 0.355 534 F C 1.050 176.746 175.800 -0.172 0.000 1.117 534 F CA -0.236 57.610 58.000 -0.257 0.000 1.139 534 F CB 0.375 39.283 39.000 -0.153 0.000 1.120 534 F HN 0.442 8.831 8.300 0.148 0.000 0.493 535 F N 4.442 124.479 119.950 0.144 0.000 2.146 535 F HA -0.351 4.232 4.527 0.093 0.000 0.298 535 F C 1.520 177.257 175.800 -0.105 0.000 1.096 535 F CA 3.083 61.123 58.000 0.066 0.000 1.275 535 F CB 0.025 39.085 39.000 0.100 0.000 1.008 535 F HN 0.235 8.347 8.300 -0.313 0.000 0.480 536 Q N 0.197 120.072 119.800 0.125 0.000 2.050 536 Q HA -0.287 4.063 4.340 0.016 0.000 0.202 536 Q C 0.339 176.248 176.000 -0.151 0.000 0.980 536 Q CA 2.445 58.250 55.803 0.003 0.000 0.840 536 Q CB -0.648 28.113 28.738 0.037 0.000 0.898 536 Q HN 0.402 8.781 8.270 0.181 0.000 0.424 537 D N -4.861 115.458 120.400 -0.135 0.000 2.500 537 D HA 0.038 4.635 4.640 -0.073 0.000 0.217 537 D C -0.724 175.586 176.300 0.017 0.000 1.159 537 D CA -0.830 53.122 54.000 -0.080 0.000 0.828 537 D CB 0.551 41.339 40.800 -0.019 0.000 1.039 537 D HN -0.474 7.861 8.370 -0.057 0.000 0.512 538 H N -5.779 113.376 119.070 0.141 0.000 3.211 538 H HA -0.418 4.320 4.556 0.163 -0.085 0.240 538 H C -0.601 174.797 175.328 0.117 0.000 1.148 538 H CA 1.647 57.775 56.048 0.133 0.000 1.160 538 H CB -2.946 26.870 29.762 0.090 0.000 1.232 538 H HN -0.201 7.973 8.280 -0.176 0.000 0.321 539 T N -3.610 111.074 114.554 0.216 0.000 2.899 539 T HA 0.317 4.850 4.350 0.078 -0.137 0.295 539 T C -0.787 174.124 174.700 0.352 0.000 1.033 539 T CA 0.235 62.451 62.100 0.193 0.000 1.084 539 T CB 1.658 70.634 68.868 0.180 0.000 0.979 539 T HN -0.351 8.265 8.240 0.189 -0.262 0.532 540 K N 1.104 121.665 120.400 0.269 0.000 2.502 540 K HA 0.905 5.574 4.320 0.272 -0.186 0.257 540 K C -1.437 175.346 176.600 0.305 0.000 0.938 540 K CA -1.235 55.201 56.287 0.247 0.000 0.819 540 K CB 4.872 37.434 32.500 0.102 0.000 1.333 540 K HN 0.154 8.489 8.250 0.141 0.000 0.434 541 L N 1.405 122.778 121.223 0.251 0.000 2.346 541 L HA 0.909 5.618 4.340 0.277 -0.204 0.276 541 L C -1.207 175.724 176.870 0.101 0.000 1.006 541 L CA -1.575 53.398 54.840 0.222 0.000 0.817 541 L CB 3.634 45.829 42.059 0.226 0.000 1.272 541 L HN 0.560 8.898 8.230 0.179 0.000 0.421 542 I N 1.830 122.451 120.570 0.084 0.000 2.411 542 I HA 0.320 4.653 4.170 0.061 -0.126 0.284 542 I C -1.462 174.699 176.117 0.073 0.000 1.012 542 I CA -0.780 60.556 61.300 0.061 0.000 1.119 542 I CB 1.918 39.934 38.000 0.028 0.000 1.261 542 I HN 0.582 8.852 8.210 0.100 0.000 0.448 543 L N 6.931 128.192 121.223 0.064 0.000 2.307 543 L HA 0.656 5.198 4.340 0.068 -0.161 0.284 543 L C -1.401 175.498 176.870 0.048 0.000 1.023 543 L CA -1.141 53.733 54.840 0.058 0.000 0.810 543 L CB 2.843 44.928 42.059 0.042 0.000 1.231 543 L HN 0.836 9.099 8.230 0.055 0.000 0.423 544 C N 3.597 122.926 119.300 0.048 0.000 2.364 544 C HA 0.495 4.965 4.460 0.016 0.000 0.324 544 C C -1.928 173.080 174.990 0.029 0.000 1.234 544 C CA -3.871 55.166 59.018 0.032 0.000 1.417 544 C CB 3.493 31.260 27.740 0.044 0.000 2.101 544 C HN 0.374 8.638 8.230 0.055 0.000 0.466 545 P HA 0.121 4.750 4.420 0.047 -0.181 0.245 545 P C -0.886 176.448 177.300 0.056 0.000 1.206 545 P CA 1.455 64.580 63.100 0.042 0.000 0.781 545 P CB 0.543 32.281 31.700 0.063 0.000 0.994 546 L N -2.467 118.778 121.223 0.038 0.000 2.145 546 L HA -0.095 4.288 4.340 0.071 0.000 0.201 546 L C 1.726 178.626 176.870 0.050 0.000 1.075 546 L CA 1.813 56.684 54.840 0.053 0.000 0.773 546 L CB -0.006 42.077 42.059 0.041 0.000 0.936 546 L HN -0.609 7.585 8.230 0.013 0.044 0.451 547 M N -3.777 115.850 119.600 0.046 0.000 2.476 547 M HA -0.081 4.427 4.480 0.047 0.000 0.262 547 M C 0.147 176.478 176.300 0.052 0.000 1.079 547 M CA -0.707 54.622 55.300 0.048 0.000 1.104 547 M CB -0.384 32.246 32.600 0.050 0.000 1.409 547 M HN -0.747 7.568 8.290 0.042 0.000 0.467 548 A N -3.728 119.123 122.820 0.052 0.000 2.610 548 A HA -0.410 4.170 4.320 0.052 -0.229 0.299 548 A C -1.959 175.663 177.584 0.063 0.000 1.487 548 A CA 0.770 52.839 52.037 0.053 0.000 0.743 548 A CB -1.752 17.278 19.000 0.049 0.000 1.070 548 A HN -0.366 7.731 8.150 0.050 0.083 0.439 549 A N -2.616 120.246 122.820 0.069 0.000 2.527 549 A HA 1.083 5.602 4.320 0.103 -0.137 0.293 549 A C -2.532 175.111 177.584 0.099 0.000 1.117 549 A CA -1.437 50.654 52.037 0.090 0.000 0.723 549 A CB 4.272 23.320 19.000 0.080 0.000 1.313 549 A HN -0.464 7.724 8.150 0.063 0.000 0.411 550 V N -0.112 119.886 119.914 0.140 0.000 2.686 550 V HA 0.781 5.163 4.120 0.120 -0.190 0.306 550 V C -1.934 174.282 176.094 0.204 0.000 1.065 550 V CA -2.694 59.699 62.300 0.154 0.000 0.894 550 V CB 3.560 35.470 31.823 0.145 0.000 1.004 550 V HN 0.391 8.687 8.190 0.176 0.000 0.424 551 T N 11.304 125.950 114.554 0.153 0.000 2.771 551 T HA 0.672 5.325 4.350 0.161 -0.207 0.281 551 T C -1.803 173.036 174.700 0.231 0.000 0.982 551 T CA -0.519 61.667 62.100 0.142 0.000 0.978 551 T CB 1.290 70.159 68.868 0.002 0.000 0.930 551 T HN 0.518 8.830 8.240 0.119 0.000 0.447 552 Y N 9.328 129.711 120.300 0.139 0.000 2.341 552 Y HA 0.640 5.442 4.550 0.113 -0.184 0.338 552 Y C -2.510 173.459 175.900 0.115 0.000 0.965 552 Y CA -2.908 55.275 58.100 0.139 0.000 1.108 552 Y CB 2.986 41.563 38.460 0.195 0.000 1.180 552 Y HN 0.645 9.146 8.280 0.369 0.000 0.458 553 I N 9.159 129.579 120.570 -0.249 0.000 2.339 553 I HA 0.452 4.692 4.170 -0.183 -0.180 0.290 553 I C -1.006 174.775 176.117 -0.560 0.000 0.994 553 I CA -1.275 59.855 61.300 -0.284 0.000 1.191 553 I CB 1.679 39.600 38.000 -0.132 0.000 1.343 553 I HN 0.511 8.657 8.210 -0.108 0.000 0.458 554 D N 5.752 125.845 120.400 -0.512 0.000 2.506 554 D HA 0.090 4.324 4.640 -0.678 0.000 0.272 554 D C 1.071 177.275 176.300 -0.160 0.000 1.214 554 D CA -1.144 52.575 54.000 -0.469 0.000 1.067 554 D CB 0.859 41.469 40.800 -0.316 0.000 1.117 554 D HN 0.254 8.415 8.370 -0.347 0.000 0.578 555 E N -2.920 117.241 120.200 -0.066 0.000 2.265 555 E HA -0.329 4.055 4.350 0.057 0.000 0.196 555 E C 0.738 177.345 176.600 0.011 0.000 0.996 555 E CA 2.379 58.789 56.400 0.018 0.000 0.832 555 E CB -1.044 28.680 29.700 0.040 0.000 0.756 555 E HN 0.460 8.783 8.360 -0.061 0.000 0.491 556 K N -2.749 117.642 120.400 -0.016 0.000 2.444 556 K HA -0.044 4.275 4.320 -0.002 0.000 0.193 556 K C 0.015 176.610 176.600 -0.010 0.000 1.024 556 K CA -0.500 55.780 56.287 -0.011 0.000 1.077 556 K CB 0.146 32.636 32.500 -0.016 0.000 0.833 556 K HN -0.630 7.763 8.250 -0.032 -0.162 0.517 557 R N -6.410 114.081 120.500 -0.016 0.000 3.963 557 R HA -0.413 3.985 4.340 -0.007 -0.063 0.394 557 R C -1.189 175.146 176.300 0.059 0.000 1.131 557 R CA 1.487 57.592 56.100 0.008 0.000 1.059 557 R CB -2.680 27.631 30.300 0.018 0.000 1.614 557 R HN -0.211 7.893 8.270 -0.031 0.147 0.546 558 D N -0.268 120.133 120.400 0.001 0.000 2.372 558 D HA 0.080 4.723 4.640 0.004 0.000 0.243 558 D C -0.810 175.484 176.300 -0.009 0.000 1.121 558 D CA 1.103 55.086 54.000 -0.030 0.000 0.898 558 D CB 0.886 41.625 40.800 -0.102 0.000 1.202 558 D HN -0.557 7.938 8.370 -0.032 -0.145 0.428 559 F N -3.553 116.322 119.950 -0.125 0.000 2.563 559 F HA 1.064 5.699 4.527 -0.164 -0.205 0.316 559 F C -1.183 174.543 175.800 -0.123 0.000 1.076 559 F CA -2.727 55.185 58.000 -0.146 0.000 0.921 559 F CB 4.043 42.932 39.000 -0.185 0.000 1.209 559 F HN -0.122 7.845 8.300 -0.555 0.000 0.462 560 R N 0.498 120.984 120.500 -0.023 0.000 2.651 560 R HA 0.401 4.565 4.340 -0.294 0.000 0.278 560 R C -2.066 174.111 176.300 -0.205 0.000 1.010 560 R CA -1.275 54.693 56.100 -0.221 0.000 0.896 560 R CB 4.043 34.159 30.300 -0.306 0.000 1.211 560 R HN 0.453 8.779 8.270 0.092 0.000 0.456 561 T N 3.754 118.111 114.554 -0.327 0.000 2.823 561 T HA 0.630 5.111 4.350 -0.066 -0.171 0.279 561 T C -1.279 173.186 174.700 -0.393 0.000 0.998 561 T CA -0.662 61.311 62.100 -0.210 0.000 0.994 561 T CB 1.612 70.447 68.868 -0.055 0.000 0.960 561 T HN 0.178 8.218 8.240 -0.333 0.000 0.448 562 Y N 3.725 124.061 120.300 0.060 0.000 2.425 562 Y HA 0.422 5.166 4.550 0.053 -0.163 0.344 562 Y C -0.940 174.991 175.900 0.052 0.000 0.969 562 Y CA -1.743 56.389 58.100 0.054 0.000 1.052 562 Y CB 3.510 42.001 38.460 0.052 0.000 1.215 562 Y HN 0.899 9.289 8.280 0.182 0.000 0.451 563 R N 2.070 122.691 120.500 0.203 0.000 2.340 563 R HA 0.082 4.602 4.340 0.119 -0.109 0.300 563 R C 0.599 176.979 176.300 0.134 0.000 1.069 563 R CA 0.255 56.438 56.100 0.139 0.000 0.984 563 R CB 0.644 31.007 30.300 0.105 0.000 1.003 563 R HN 0.056 8.445 8.270 0.197 0.000 0.459 564 L N 4.726 126.005 121.223 0.094 0.000 2.083 564 L HA -0.410 3.966 4.340 0.060 0.000 0.209 564 L C 1.491 178.382 176.870 0.035 0.000 1.083 564 L CA 3.654 58.530 54.840 0.060 0.000 0.752 564 L CB -0.369 41.717 42.059 0.045 0.000 0.899 564 L HN 0.292 8.574 8.230 0.086 0.000 0.433 565 S N -1.293 114.428 115.700 0.035 0.000 2.383 565 S HA -0.258 4.208 4.470 -0.007 0.000 0.227 565 S C 1.900 176.496 174.600 -0.006 0.000 1.026 565 S CA 2.931 61.136 58.200 0.007 0.000 0.981 565 S CB -0.370 62.835 63.200 0.008 0.000 0.818 565 S HN 0.057 8.381 8.310 0.045 0.013 0.472 566 L N 1.555 122.806 121.223 0.047 0.000 2.156 566 L HA -0.164 4.165 4.340 -0.018 0.000 0.208 566 L C 2.057 178.993 176.870 0.110 0.000 1.095 566 L CA 2.167 57.060 54.840 0.089 0.000 0.770 566 L CB -0.447 41.754 42.059 0.237 0.000 0.914 566 L HN -0.855 7.421 8.230 0.076 0.000 0.439 567 L N -0.953 120.318 121.223 0.080 0.000 2.093 567 L HA -0.360 4.009 4.340 0.049 0.000 0.208 567 L C 2.695 179.553 176.870 -0.019 0.000 1.085 567 L CA 3.058 57.911 54.840 0.022 0.000 0.755 567 L CB -0.535 41.496 42.059 -0.047 0.000 0.904 567 L HN -0.282 7.912 8.230 0.081 0.085 0.435 568 E N 0.179 120.356 120.200 -0.039 0.000 2.106 568 E HA -0.353 3.960 4.350 -0.062 0.000 0.192 568 E C 2.375 178.916 176.600 -0.099 0.000 0.984 568 E CA 3.015 59.376 56.400 -0.064 0.000 0.806 568 E CB -0.168 29.495 29.700 -0.062 0.000 0.750 568 E HN -0.424 7.835 8.360 -0.028 0.084 0.458 569 E N -0.798 119.303 120.200 -0.166 0.000 2.028 569 E HA -0.238 3.959 4.350 -0.257 0.000 0.191 569 E C 1.916 178.331 176.600 -0.308 0.000 0.988 569 E CA 2.694 58.894 56.400 -0.333 0.000 0.799 569 E CB 0.310 29.636 29.700 -0.623 0.000 0.755 569 E HN -0.614 7.569 8.360 -0.152 0.085 0.447 570 Y N -4.301 115.994 120.300 -0.009 0.000 2.497 570 Y HA -0.013 4.532 4.550 -0.007 0.000 0.265 570 Y C -0.344 175.541 175.900 -0.025 0.000 1.111 570 Y CA 0.314 58.408 58.100 -0.009 0.000 1.288 570 Y CB 1.805 40.269 38.460 0.007 0.000 1.082 570 Y HN -0.196 8.049 8.280 -0.059 0.000 0.536 571 G N -2.434 106.416 108.800 0.083 0.000 2.760 571 G HA2 -0.416 3.608 3.960 -0.018 0.000 0.246 571 G HA3 -0.416 3.622 3.960 0.016 -0.068 0.246 571 G C -2.707 172.180 174.900 -0.022 0.000 1.359 571 G CA -0.582 44.526 45.100 0.014 0.000 0.861 571 G HN 0.043 8.265 8.290 0.051 0.099 0.541 572 C N -4.492 114.768 119.300 -0.067 0.000 3.295 572 C HA 0.361 4.765 4.460 -0.094 0.000 0.341 572 C C -1.442 173.493 174.990 -0.093 0.000 1.418 572 C CA -2.381 56.569 59.018 -0.113 0.000 1.240 572 C CB 3.071 30.674 27.740 -0.229 0.000 1.562 572 C HN -0.252 7.824 8.230 -0.062 0.117 0.457 573 C N 1.079 120.321 119.300 -0.096 0.000 2.705 573 C HA 0.102 4.531 4.460 -0.053 0.000 0.382 573 C C 1.150 176.086 174.990 -0.089 0.000 1.322 573 C CA -0.304 58.671 59.018 -0.071 0.000 2.290 573 C CB 2.229 29.941 27.740 -0.046 0.000 2.650 573 C HN 0.365 8.882 8.230 -0.107 -0.352 0.695 574 K N 2.385 122.744 120.400 -0.068 0.000 2.097 574 K HA -0.422 3.853 4.320 -0.074 0.000 0.206 574 K C 2.238 178.779 176.600 -0.099 0.000 1.049 574 K CA 4.041 60.284 56.287 -0.073 0.000 0.933 574 K CB -0.385 32.084 32.500 -0.052 0.000 0.717 574 K HN 0.443 8.662 8.250 -0.053 0.000 0.442 575 E N -1.777 118.365 120.200 -0.097 0.000 2.031 575 E HA -0.317 3.962 4.350 -0.119 0.000 0.193 575 E C 2.507 178.958 176.600 -0.248 0.000 0.994 575 E CA 3.118 59.444 56.400 -0.124 0.000 0.800 575 E CB -0.406 29.270 29.700 -0.042 0.000 0.752 575 E HN 0.102 8.401 8.360 -0.074 0.017 0.447 576 L N -0.510 120.533 121.223 -0.300 0.000 2.046 576 L HA -0.277 3.648 4.340 -0.692 0.000 0.208 576 L C 1.329 178.023 176.870 -0.294 0.000 1.077 576 L CA 2.722 57.292 54.840 -0.450 0.000 0.747 576 L CB -0.362 41.441 42.059 -0.427 0.000 0.896 576 L HN -0.827 7.268 8.230 -0.225 0.000 0.432 577 A N -1.581 121.118 122.820 -0.202 0.000 1.933 577 A HA -0.375 3.861 4.320 -0.140 0.000 0.218 577 A C 2.088 179.607 177.584 -0.108 0.000 1.175 577 A CA 3.059 55.012 52.037 -0.140 0.000 0.628 577 A CB -0.868 18.068 19.000 -0.107 0.000 0.814 577 A HN -0.180 7.859 8.150 -0.185 0.000 0.444 578 S N -1.849 113.781 115.700 -0.116 0.000 2.383 578 S HA -0.344 4.099 4.470 -0.044 0.000 0.227 578 S C 2.248 176.812 174.600 -0.059 0.000 1.026 578 S CA 3.108 61.260 58.200 -0.080 0.000 0.981 578 S CB -0.251 62.886 63.200 -0.104 0.000 0.818 578 S HN -0.312 7.917 8.310 -0.136 0.000 0.472 579 R N 1.102 121.516 120.500 -0.144 0.000 2.115 579 R HA -0.248 4.079 4.340 -0.022 0.000 0.230 579 R C 2.662 179.000 176.300 0.063 0.000 1.111 579 R CA 3.101 59.155 56.100 -0.075 0.000 0.976 579 R CB -0.072 30.084 30.300 -0.241 0.000 0.870 579 R HN -0.684 7.457 8.270 -0.215 0.000 0.445 580 L N -1.073 120.134 121.223 -0.027 0.000 2.141 580 L HA -0.341 4.019 4.340 0.033 0.000 0.209 580 L C 2.046 178.938 176.870 0.037 0.000 1.094 580 L CA 2.928 57.770 54.840 0.004 0.000 0.763 580 L CB -0.696 41.333 42.059 -0.050 0.000 0.908 580 L HN -0.045 8.129 8.230 -0.093 0.000 0.437 581 R N -1.174 119.348 120.500 0.036 0.000 2.081 581 R HA -0.404 3.950 4.340 0.024 0.000 0.235 581 R C 2.312 178.672 176.300 0.101 0.000 1.131 581 R CA 3.603 59.732 56.100 0.049 0.000 0.960 581 R CB -0.269 30.054 30.300 0.037 0.000 0.856 581 R HN -0.469 7.809 8.270 0.014 0.000 0.436 582 Y N 0.248 120.577 120.300 0.049 0.000 2.181 582 Y HA -0.363 4.239 4.550 0.087 0.000 0.288 582 Y C 1.136 177.090 175.900 0.089 0.000 1.146 582 Y CA 3.250 61.411 58.100 0.101 0.000 1.164 582 Y CB 0.034 38.618 38.460 0.206 0.000 0.982 582 Y HN -0.495 7.953 8.280 0.280 0.000 0.515 583 A N -1.753 121.189 122.820 0.204 0.000 1.908 583 A HA -0.400 3.982 4.320 0.102 0.000 0.218 583 A C 1.796 179.383 177.584 0.004 0.000 1.181 583 A CA 3.135 55.231 52.037 0.099 0.000 0.627 583 A CB -1.041 18.022 19.000 0.106 0.000 0.818 583 A HN 0.033 8.255 8.150 0.246 0.076 0.445 584 R N -1.452 119.052 120.500 0.005 0.000 2.081 584 R HA -0.300 4.039 4.340 -0.001 0.000 0.235 584 R C 2.163 178.436 176.300 -0.045 0.000 1.131 584 R CA 3.202 59.298 56.100 -0.007 0.000 0.960 584 R CB -0.307 30.001 30.300 0.013 0.000 0.856 584 R HN -0.389 7.895 8.270 0.024 0.000 0.436 585 T N 1.813 116.310 114.554 -0.095 0.000 2.720 585 T HA -0.366 3.925 4.350 -0.099 0.000 0.268 585 T C 2.053 176.667 174.700 -0.143 0.000 1.037 585 T CA 4.382 66.395 62.100 -0.145 0.000 1.144 585 T CB -0.232 68.489 68.868 -0.244 0.000 0.864 585 T HN -0.561 7.621 8.240 -0.097 0.000 0.444 586 M N 0.338 119.837 119.600 -0.168 0.000 2.132 586 M HA -0.238 4.281 4.480 0.065 0.000 0.263 586 M C 2.176 178.499 176.300 0.039 0.000 1.065 586 M CA 2.012 57.300 55.300 -0.019 0.000 1.122 586 M CB -1.138 31.430 32.600 -0.053 0.000 1.365 586 M HN -0.436 7.720 8.290 -0.224 0.000 0.411 587 V N 0.606 120.508 119.914 -0.021 0.000 2.427 587 V HA -0.580 3.514 4.120 -0.044 0.000 0.248 587 V C 1.780 177.854 176.094 -0.035 0.000 1.051 587 V CA 4.646 66.926 62.300 -0.034 0.000 1.048 587 V CB -0.656 31.144 31.823 -0.039 0.000 0.666 587 V HN -0.027 8.142 8.190 -0.036 0.000 0.456 588 D N -0.002 120.375 120.400 -0.038 0.000 2.144 588 D HA -0.284 4.330 4.640 -0.045 0.000 0.199 588 D C 2.464 178.728 176.300 -0.059 0.000 0.984 588 D CA 3.802 57.774 54.000 -0.048 0.000 0.834 588 D CB -0.466 40.303 40.800 -0.052 0.000 0.955 588 D HN -0.247 8.099 8.370 -0.040 0.000 0.465 589 K N -0.078 120.285 120.400 -0.062 0.000 2.026 589 K HA -0.232 3.998 4.320 -0.150 0.000 0.208 589 K C 2.520 179.074 176.600 -0.077 0.000 1.048 589 K CA 3.094 59.308 56.287 -0.121 0.000 0.929 589 K CB 0.073 32.435 32.500 -0.229 0.000 0.713 589 K HN -0.751 7.382 8.250 -0.046 0.090 0.439 590 L N -1.013 120.231 121.223 0.036 0.000 2.012 590 L HA -0.383 4.013 4.340 0.094 0.000 0.210 590 L C 2.132 178.992 176.870 -0.017 0.000 1.073 590 L CA 3.019 57.885 54.840 0.043 0.000 0.748 590 L CB -0.337 41.714 42.059 -0.013 0.000 0.891 590 L HN -0.324 7.952 8.230 0.077 0.000 0.431 591 L N -1.418 119.781 121.223 -0.040 0.000 2.042 591 L HA -0.365 3.958 4.340 -0.028 0.000 0.210 591 L C 1.529 178.378 176.870 -0.035 0.000 1.076 591 L CA 3.216 58.035 54.840 -0.036 0.000 0.749 591 L CB -0.498 41.537 42.059 -0.039 0.000 0.893 591 L HN 0.025 8.229 8.230 -0.044 0.000 0.432 592 S N -0.732 114.938 115.700 -0.050 0.000 2.368 592 S HA -0.338 4.103 4.470 -0.048 0.000 0.224 592 S C 2.487 177.055 174.600 -0.054 0.000 1.029 592 S CA 3.563 61.729 58.200 -0.056 0.000 0.988 592 S CB -1.095 62.060 63.200 -0.075 0.000 0.838 592 S HN -0.191 8.084 8.310 -0.058 0.000 0.462 593 S N 4.398 120.062 115.700 -0.060 0.000 2.368 593 S HA -0.379 4.053 4.470 -0.062 0.000 0.225 593 S C 1.937 176.526 174.600 -0.018 0.000 1.030 593 S CA 3.436 61.606 58.200 -0.051 0.000 0.999 593 S CB -0.131 63.035 63.200 -0.056 0.000 0.844 593 S HN -0.492 7.776 8.310 -0.069 0.000 0.459 594 R N 1.782 122.283 120.500 0.002 0.000 2.081 594 R HA -0.218 4.142 4.340 0.033 0.000 0.235 594 R C 2.395 178.698 176.300 0.005 0.000 1.131 594 R CA 2.900 59.013 56.100 0.022 0.000 0.960 594 R CB -0.456 29.869 30.300 0.042 0.000 0.856 594 R HN -0.169 8.101 8.270 0.001 0.000 0.436 595 S N 0.429 116.124 115.700 -0.008 0.000 2.368 595 S HA -0.296 4.169 4.470 -0.009 0.000 0.225 595 S C 1.939 176.529 174.600 -0.015 0.000 1.030 595 S CA 3.481 61.673 58.200 -0.014 0.000 0.999 595 S CB -0.580 62.606 63.200 -0.022 0.000 0.844 595 S HN -0.137 8.165 8.310 -0.014 0.000 0.459 596 A N 0.652 123.459 122.820 -0.022 0.000 1.877 596 A HA -0.249 4.057 4.320 -0.024 0.000 0.216 596 A C 2.102 179.676 177.584 -0.016 0.000 1.186 596 A CA 3.279 55.302 52.037 -0.024 0.000 0.620 596 A CB -0.759 18.220 19.000 -0.035 0.000 0.822 596 A HN -0.217 7.918 8.150 -0.026 0.000 0.443 597 S N -1.765 113.929 115.700 -0.011 0.000 2.428 597 S HA -0.329 4.137 4.470 -0.007 0.000 0.230 597 S C 2.258 176.858 174.600 0.000 0.000 1.014 597 S CA 3.228 61.426 58.200 -0.004 0.000 0.957 597 S CB -0.751 62.451 63.200 0.004 0.000 0.784 597 S HN -0.129 8.175 8.310 -0.010 0.000 0.499 598 N N 3.613 122.313 118.700 0.001 0.000 2.216 598 N HA -0.273 4.469 4.740 0.004 0.000 0.183 598 N C 1.979 177.486 175.510 -0.003 0.000 1.017 598 N CA 3.013 56.064 53.050 0.001 0.000 0.861 598 N CB -0.012 38.475 38.487 0.001 0.000 0.986 598 N HN -0.385 7.995 8.380 0.000 0.000 0.428 599 R N 0.241 120.737 120.500 -0.007 0.000 2.081 599 R HA -0.236 4.099 4.340 -0.009 0.000 0.235 599 R C 1.702 177.997 176.300 -0.008 0.000 1.131 599 R CA 2.581 58.676 56.100 -0.009 0.000 0.960 599 R CB -0.311 29.981 30.300 -0.013 0.000 0.856 599 R HN -0.356 7.909 8.270 -0.009 0.000 0.436 600 L N -1.439 119.780 121.223 -0.008 0.000 2.046 600 L HA -0.255 4.081 4.340 -0.008 0.000 0.208 600 L C 2.160 179.028 176.870 -0.004 0.000 1.077 600 L CA 3.243 58.079 54.840 -0.007 0.000 0.747 600 L CB -0.115 41.940 42.059 -0.007 0.000 0.896 600 L HN -0.308 7.917 8.230 -0.009 0.000 0.432 601 K N -0.203 120.196 120.400 -0.002 0.000 2.097 601 K HA -0.249 4.072 4.320 0.001 0.000 0.205 601 K C 1.167 177.767 176.600 -0.000 0.000 1.050 601 K CA 2.530 58.818 56.287 0.001 0.000 0.938 601 K CB 0.148 32.650 32.500 0.003 0.000 0.718 601 K HN -0.417 7.743 8.250 -0.002 0.089 0.442 602 A N -3.287 119.532 122.820 -0.001 0.000 2.259 602 A HA 0.040 4.359 4.320 -0.001 0.000 0.208 602 A C -0.794 176.788 177.584 -0.003 0.000 1.201 602 A CA -0.419 51.617 52.037 -0.002 0.000 0.824 602 A CB -0.197 18.801 19.000 -0.003 0.000 0.838 602 A HN -0.353 7.796 8.150 -0.002 0.000 0.485 603 S N 0.000 115.698 115.700 -0.003 0.000 2.498 603 S HA 0.000 4.562 4.470 -0.004 -0.095 0.327 603 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 603 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 603 S HN 0.000 8.084 8.310 -0.003 0.225 0.517