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 2yqf_1_A DATA FIRST_RESID 1387 DATA SEQUENCE GSSGSSGPGS LSGTEQAEMK MAVISEHLGL SWAELARELQ FSVEDINRIR DATA SEQUENCE VENPNSLLEQ SVALLNLWVI REGQNANMEN LYTALQSIDR GEIVNMLEGS DATA SEQUENCE GRQSRNLKPD R 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 1387 G HA2 0.000 nan 3.960 nan 0.000 0.244 1387 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 1387 G C 0.000 174.903 174.900 0.005 0.000 0.946 1387 G CA 0.000 45.103 45.100 0.004 0.000 0.502 1388 S N 1.119 116.823 115.700 0.005 0.000 2.979 1388 S HA 0.069 4.543 4.470 0.005 0.000 0.243 1388 S C 0.949 175.553 174.600 0.006 0.000 1.036 1388 S CA 0.179 58.382 58.200 0.006 0.000 0.846 1388 S CB 0.561 63.765 63.200 0.006 0.000 0.806 1388 S HN 0.131 8.444 8.310 0.006 0.000 0.568 1389 S N 2.518 118.222 115.700 0.007 0.000 2.549 1389 S HA -0.023 4.452 4.470 0.008 0.000 0.283 1389 S C -0.349 174.255 174.600 0.008 0.000 1.320 1389 S CA 0.530 58.735 58.200 0.008 0.000 1.058 1389 S CB 0.274 63.480 63.200 0.009 0.000 0.882 1389 S HN -0.311 8.003 8.310 0.007 0.000 0.498 1390 G N 1.402 110.207 108.800 0.008 0.000 2.880 1390 G HA2 -0.040 3.924 3.960 0.007 0.000 0.303 1390 G HA3 -0.040 3.924 3.960 0.007 0.000 0.303 1390 G C -1.198 173.707 174.900 0.008 0.000 2.853 1390 G CA -0.121 44.983 45.100 0.007 0.000 0.748 1390 G HN -0.034 8.261 8.290 0.009 0.000 0.349 1391 S N 3.567 119.272 115.700 0.008 0.000 2.614 1391 S HA 0.325 4.800 4.470 0.008 0.000 0.275 1391 S C 0.276 174.881 174.600 0.008 0.000 1.161 1391 S CA -0.632 57.573 58.200 0.009 0.000 0.969 1391 S CB 2.888 66.094 63.200 0.010 0.000 1.059 1391 S HN -0.199 8.116 8.310 0.009 0.000 0.482 1392 S N 4.037 119.742 115.700 0.007 0.000 2.673 1392 S HA -0.022 4.451 4.470 0.006 0.000 0.308 1392 S C 0.385 174.990 174.600 0.008 0.000 1.246 1392 S CA 0.811 59.015 58.200 0.007 0.000 1.077 1392 S CB 0.402 63.605 63.200 0.006 0.000 0.814 1392 S HN 0.229 8.543 8.310 0.007 0.000 0.503 1393 G N 3.889 112.694 108.800 0.008 0.000 2.906 1393 G HA2 -0.138 3.827 3.960 0.008 0.000 0.235 1393 G HA3 -0.138 3.829 3.960 0.011 0.000 0.235 1393 G C -1.059 173.847 174.900 0.010 0.000 3.666 1393 G CA -0.466 44.639 45.100 0.009 0.000 0.647 1393 G HN 0.227 8.521 8.290 0.007 0.000 0.417 1394 P HA 0.013 4.438 4.420 0.009 0.000 0.234 1394 P C -0.359 176.946 177.300 0.008 0.000 1.167 1394 P CA 0.717 63.822 63.100 0.008 0.000 0.763 1394 P CB 0.549 32.252 31.700 0.005 0.000 0.835 1395 G N -0.430 108.374 108.800 0.008 0.000 5.338 1395 G HA2 0.046 4.013 3.960 0.011 0.000 0.198 1395 G HA3 0.046 4.009 3.960 0.004 0.000 0.198 1395 G C -1.439 173.466 174.900 0.008 0.000 0.708 1395 G CA -0.068 45.037 45.100 0.008 0.000 0.626 1395 G HN -0.113 8.110 8.290 0.008 0.071 0.419 1396 S N 1.828 117.536 115.700 0.013 0.000 2.481 1396 S HA -0.161 4.315 4.470 0.010 0.000 0.282 1396 S C -0.163 174.448 174.600 0.018 0.000 1.243 1396 S CA 1.080 59.288 58.200 0.014 0.000 1.078 1396 S CB 0.370 63.581 63.200 0.018 0.000 0.916 1396 S HN -0.217 8.102 8.310 0.014 0.000 0.495 1397 L N 5.749 126.980 121.223 0.013 0.000 2.342 1397 L HA 0.129 4.486 4.340 0.027 0.000 0.276 1397 L C -0.635 176.246 176.870 0.019 0.000 0.997 1397 L CA 0.164 55.013 54.840 0.015 0.000 0.838 1397 L CB 0.801 42.858 42.059 -0.002 0.000 1.224 1397 L HN 0.062 8.297 8.230 0.008 0.000 0.416 1398 S N 1.619 117.340 115.700 0.036 0.000 3.581 1398 S HA -0.238 4.262 4.470 0.051 0.000 0.354 1398 S C -0.708 173.909 174.600 0.028 0.000 1.059 1398 S CA 0.764 58.989 58.200 0.041 0.000 1.060 1398 S CB -0.394 62.836 63.200 0.050 0.000 0.908 1398 S HN 0.557 8.893 8.310 0.044 0.000 0.475 1399 G N -1.603 107.212 108.800 0.024 0.000 4.552 1399 G HA2 0.047 4.017 3.960 0.016 0.000 0.281 1399 G HA3 0.047 4.015 3.960 0.013 0.000 0.281 1399 G C -1.466 173.445 174.900 0.019 0.000 1.037 1399 G CA -0.028 45.083 45.100 0.018 0.000 0.806 1399 G HN -0.139 8.155 8.290 0.027 0.011 0.495 1400 T N -0.187 114.382 114.554 0.024 0.000 2.900 1400 T HA 0.255 4.616 4.350 0.019 0.000 0.295 1400 T C 0.379 175.094 174.700 0.025 0.000 1.044 1400 T CA -1.569 60.545 62.100 0.024 0.000 0.995 1400 T CB 1.911 70.795 68.868 0.027 0.000 1.072 1400 T HN -0.755 7.502 8.240 0.028 0.000 0.473 1401 E N 5.789 126.002 120.200 0.021 0.000 2.149 1401 E HA -0.568 3.793 4.350 0.019 0.000 0.215 1401 E C 1.454 178.069 176.600 0.026 0.000 1.055 1401 E CA 3.331 59.744 56.400 0.021 0.000 0.870 1401 E CB -0.666 29.046 29.700 0.018 0.000 0.764 1401 E HN 0.644 9.015 8.360 0.019 0.000 0.463 1402 Q N 0.120 119.939 119.800 0.031 0.000 2.029 1402 Q HA -0.354 4.008 4.340 0.036 0.000 0.209 1402 Q C 2.276 178.303 176.000 0.045 0.000 0.999 1402 Q CA 2.690 58.517 55.803 0.039 0.000 0.857 1402 Q CB -1.156 27.609 28.738 0.044 0.000 0.926 1402 Q HN 0.188 8.480 8.270 0.029 -0.004 0.415 1403 A N -0.259 122.590 122.820 0.048 0.000 1.881 1403 A HA -0.426 3.932 4.320 0.063 0.000 0.219 1403 A C 2.184 179.792 177.584 0.041 0.000 1.215 1403 A CA 3.252 55.320 52.037 0.051 0.000 0.648 1403 A CB -1.231 17.798 19.000 0.048 0.000 0.832 1403 A HN -0.540 7.637 8.150 0.045 0.000 0.455 1404 E N -1.684 118.535 120.200 0.032 0.000 2.065 1404 E HA -0.418 3.946 4.350 0.024 0.000 0.201 1404 E C 2.292 178.903 176.600 0.019 0.000 1.016 1404 E CA 2.957 59.371 56.400 0.024 0.000 0.818 1404 E CB -0.272 29.439 29.700 0.019 0.000 0.749 1404 E HN -0.669 7.710 8.360 0.031 0.000 0.453 1405 M N -0.461 119.152 119.600 0.022 0.000 2.065 1405 M HA -0.432 4.055 4.480 0.011 0.000 0.259 1405 M C 2.023 178.332 176.300 0.015 0.000 1.071 1405 M CA 3.346 58.657 55.300 0.018 0.000 1.109 1405 M CB -0.449 32.167 32.600 0.025 0.000 1.313 1405 M HN -0.392 7.848 8.290 0.026 0.066 0.408 1406 K N -1.151 119.270 120.400 0.036 0.000 1.988 1406 K HA -0.450 3.901 4.320 0.050 0.000 0.221 1406 K C 2.387 178.994 176.600 0.012 0.000 1.053 1406 K CA 3.756 60.073 56.287 0.051 0.000 0.959 1406 K CB -0.413 32.151 32.500 0.107 0.000 0.728 1406 K HN 0.110 8.387 8.250 0.045 0.000 0.447 1407 M N -1.620 117.988 119.600 0.012 0.000 2.226 1407 M HA -0.560 3.905 4.480 -0.025 0.000 0.257 1407 M C 2.021 178.301 176.300 -0.033 0.000 1.070 1407 M CA 3.762 59.057 55.300 -0.008 0.000 1.087 1407 M CB -0.510 32.102 32.600 0.021 0.000 1.278 1407 M HN -0.230 8.077 8.290 0.029 0.000 0.426 1408 A N -0.924 121.880 122.820 -0.026 0.000 1.869 1408 A HA -0.354 3.944 4.320 -0.037 0.000 0.218 1408 A C 2.299 179.827 177.584 -0.092 0.000 1.203 1408 A CA 3.014 55.026 52.037 -0.042 0.000 0.638 1408 A CB -0.763 18.223 19.000 -0.023 0.000 0.831 1408 A HN -0.352 7.793 8.150 -0.009 0.000 0.450 1409 V N -0.860 118.985 119.914 -0.116 0.000 2.252 1409 V HA -0.559 3.418 4.120 -0.239 0.000 0.249 1409 V C 2.177 177.977 176.094 -0.491 0.000 1.056 1409 V CA 4.998 67.136 62.300 -0.269 0.000 1.022 1409 V CB -0.474 31.240 31.823 -0.181 0.000 0.641 1409 V HN 0.202 8.352 8.190 -0.068 0.000 0.445 1410 I N -1.535 118.868 120.570 -0.277 0.000 2.181 1410 I HA -0.596 3.442 4.170 -0.221 0.000 0.247 1410 I C 2.411 178.432 176.117 -0.161 0.000 1.081 1410 I CA 4.184 65.365 61.300 -0.199 0.000 1.340 1410 I CB -0.511 37.444 38.000 -0.076 0.000 1.036 1410 I HN 0.540 8.654 8.210 -0.159 0.000 0.417 1411 S N -0.630 114.998 115.700 -0.120 0.000 2.406 1411 S HA -0.319 4.138 4.470 -0.021 0.000 0.228 1411 S C 2.362 176.930 174.600 -0.053 0.000 1.020 1411 S CA 3.722 61.886 58.200 -0.060 0.000 0.965 1411 S CB -0.772 62.398 63.200 -0.050 0.000 0.798 1411 S HN -0.271 7.882 8.310 -0.118 0.086 0.488 1412 E N 2.231 122.365 120.200 -0.110 0.000 2.058 1412 E HA -0.374 3.982 4.350 0.009 0.000 0.194 1412 E C 1.889 178.562 176.600 0.121 0.000 0.997 1412 E CA 2.663 59.052 56.400 -0.018 0.000 0.801 1412 E CB -0.043 29.645 29.700 -0.021 0.000 0.746 1412 E HN -0.311 7.817 8.360 -0.179 0.124 0.450 1413 H N -2.612 116.475 119.070 0.027 0.000 2.384 1413 H HA -0.121 4.451 4.556 0.026 0.000 0.300 1413 H C 2.304 177.658 175.328 0.044 0.000 1.057 1413 H CA 0.562 56.628 56.048 0.030 0.000 1.370 1413 H CB 0.561 30.340 29.762 0.028 0.000 1.417 1413 H HN -0.445 7.636 8.280 -0.333 0.000 0.527 1414 L N -0.498 120.810 121.223 0.142 0.000 1.987 1414 L HA -0.604 3.813 4.340 0.128 0.000 0.230 1414 L C 1.775 178.738 176.870 0.154 0.000 1.089 1414 L CA 2.929 57.847 54.840 0.131 0.000 0.802 1414 L CB -0.092 42.036 42.059 0.114 0.000 0.905 1414 L HN -0.122 8.153 8.230 0.075 0.000 0.441 1415 G N -3.036 105.844 108.800 0.135 0.000 4.011 1415 G HA2 -0.554 3.454 3.960 0.079 0.000 0.348 1415 G HA3 -0.554 3.476 3.960 0.116 0.000 0.348 1415 G C 1.364 176.417 174.900 0.255 0.000 1.310 1415 G CA 1.886 47.066 45.100 0.133 0.000 1.056 1415 G HN -0.477 7.871 8.290 0.097 0.000 0.728 1416 L N 3.494 124.858 121.223 0.235 0.000 2.189 1416 L HA 0.089 4.706 4.340 0.461 0.000 0.199 1416 L C 1.397 178.368 176.870 0.168 0.000 1.074 1416 L CA 1.165 56.169 54.840 0.274 0.000 0.783 1416 L CB -0.472 41.666 42.059 0.131 0.000 0.955 1416 L HN -0.193 8.126 8.230 0.160 0.007 0.460 1417 S N 0.310 116.068 115.700 0.096 0.000 2.434 1417 S HA -0.472 3.975 4.470 -0.038 0.000 0.243 1417 S C 1.736 176.326 174.600 -0.018 0.000 1.045 1417 S CA 3.398 61.609 58.200 0.018 0.000 1.019 1417 S CB -0.873 62.355 63.200 0.048 0.000 0.811 1417 S HN -0.398 7.976 8.310 0.106 0.000 0.485 1418 W N 1.725 123.024 121.300 -0.002 0.000 2.275 1418 W HA -0.494 4.156 4.660 -0.017 0.000 0.321 1418 W C 0.583 177.100 176.519 -0.004 0.000 1.269 1418 W CA 1.808 59.146 57.345 -0.011 0.000 1.274 1418 W CB -1.571 27.877 29.460 -0.020 0.000 1.141 1418 W HN -0.212 8.125 8.180 0.346 0.050 0.493 1419 A N -0.135 121.725 122.820 -1.600 0.000 1.849 1419 A HA -0.515 2.410 4.320 -2.324 0.000 0.217 1419 A C 2.014 179.223 177.584 -0.625 0.000 1.202 1419 A CA 3.608 54.709 52.037 -1.558 0.000 0.629 1419 A CB -1.579 16.747 19.000 -1.122 0.000 0.834 1419 A HN 0.207 7.332 8.150 -1.708 0.000 0.447 1420 E N -1.172 118.804 120.200 -0.372 0.000 2.058 1420 E HA -0.298 3.948 4.350 -0.174 0.000 0.194 1420 E C 2.573 179.102 176.600 -0.117 0.000 0.997 1420 E CA 2.820 59.107 56.400 -0.188 0.000 0.801 1420 E CB -0.539 29.088 29.700 -0.121 0.000 0.746 1420 E HN -0.655 7.480 8.360 -0.375 0.000 0.450 1421 L N -0.514 120.656 121.223 -0.089 0.000 2.013 1421 L HA -0.329 3.995 4.340 -0.027 0.000 0.212 1421 L C 2.110 179.007 176.870 0.044 0.000 1.073 1421 L CA 3.048 57.875 54.840 -0.021 0.000 0.753 1421 L CB -0.687 41.376 42.059 0.007 0.000 0.890 1421 L HN 0.167 8.331 8.230 -0.109 0.000 0.432 1422 A N -1.615 121.241 122.820 0.059 0.000 1.851 1422 A HA -0.377 4.240 4.320 0.496 0.000 0.216 1422 A C 2.264 180.028 177.584 0.300 0.000 1.195 1422 A CA 3.093 55.288 52.037 0.263 0.000 0.622 1422 A CB -0.884 18.166 19.000 0.084 0.000 0.831 1422 A HN 0.558 8.570 8.150 -0.054 0.106 0.444 1423 R N -0.189 120.359 120.500 0.080 0.000 2.139 1423 R HA -0.295 4.275 4.340 0.114 -0.161 0.243 1423 R C 2.460 178.782 176.300 0.038 0.000 1.145 1423 R CA 2.292 58.427 56.100 0.058 0.000 0.976 1423 R CB -0.599 29.685 30.300 -0.027 0.000 0.866 1423 R HN -0.229 8.010 8.270 -0.051 0.000 0.449 1424 E N -0.894 119.319 120.200 0.021 0.000 2.153 1424 E HA -0.212 4.131 4.350 -0.012 0.000 0.194 1424 E C 1.269 177.860 176.600 -0.016 0.000 0.988 1424 E CA 2.108 58.506 56.400 -0.003 0.000 0.811 1424 E CB -0.334 29.358 29.700 -0.014 0.000 0.746 1424 E HN -0.371 7.883 8.360 0.018 0.116 0.466 1425 L N -1.746 119.474 121.223 -0.005 0.000 2.660 1425 L HA -0.005 4.294 4.340 -0.068 0.000 0.238 1425 L C -0.437 176.239 176.870 -0.323 0.000 1.161 1425 L CA -0.628 54.136 54.840 -0.128 0.000 0.937 1425 L CB -1.031 40.970 42.059 -0.096 0.000 1.122 1425 L HN -0.362 7.780 8.230 0.086 0.140 0.435 1426 Q N -6.053 113.653 119.800 -0.157 0.000 2.502 1426 Q HA -0.436 3.870 4.340 -0.056 0.000 0.273 1426 Q C -1.247 174.668 176.000 -0.141 0.000 1.127 1426 Q CA 0.862 56.585 55.803 -0.133 0.000 0.952 1426 Q CB -3.001 25.651 28.738 -0.142 0.000 1.333 1426 Q HN -0.464 7.550 8.270 -0.067 0.215 0.494 1427 F N 0.190 120.166 119.950 0.043 0.000 2.413 1427 F HA 0.140 4.703 4.527 0.060 0.000 0.359 1427 F C 0.752 176.570 175.800 0.030 0.000 1.122 1427 F CA -0.668 57.363 58.000 0.051 0.000 1.160 1427 F CB 0.105 39.149 39.000 0.074 0.000 1.146 1427 F HN -0.851 7.486 8.300 0.090 0.017 0.514 1428 S N 5.209 121.048 115.700 0.232 0.000 2.584 1428 S HA -0.043 4.485 4.470 0.097 0.000 0.270 1428 S C 1.329 176.003 174.600 0.124 0.000 1.346 1428 S CA 0.105 58.385 58.200 0.133 0.000 1.018 1428 S CB 0.916 64.176 63.200 0.100 0.000 0.899 1428 S HN 0.362 8.821 8.310 0.248 0.000 0.542 1429 V N 5.145 125.105 119.914 0.077 0.000 2.317 1429 V HA -0.470 3.683 4.120 0.056 0.000 0.251 1429 V C 1.777 177.914 176.094 0.072 0.000 1.065 1429 V CA 4.125 66.462 62.300 0.062 0.000 1.049 1429 V CB -0.754 31.093 31.823 0.041 0.000 0.651 1429 V HN 0.617 8.844 8.190 0.062 0.000 0.450 1430 E N -1.436 118.806 120.200 0.069 0.000 2.068 1430 E HA -0.437 3.944 4.350 0.052 0.000 0.207 1430 E C 2.525 179.166 176.600 0.068 0.000 1.032 1430 E CA 3.688 60.126 56.400 0.063 0.000 0.839 1430 E CB -0.566 29.171 29.700 0.062 0.000 0.758 1430 E HN 0.512 8.906 8.360 0.067 0.006 0.457 1431 D N -1.000 119.452 120.400 0.087 0.000 2.097 1431 D HA -0.226 4.437 4.640 0.037 0.000 0.195 1431 D C 2.431 178.759 176.300 0.047 0.000 0.989 1431 D CA 3.059 57.092 54.000 0.055 0.000 0.827 1431 D CB -0.304 40.542 40.800 0.077 0.000 0.966 1431 D HN -0.713 7.727 8.370 0.115 0.000 0.456 1432 I N -0.657 119.969 120.570 0.093 0.000 2.045 1432 I HA -0.621 3.725 4.170 0.294 0.000 0.233 1432 I C 1.511 177.758 176.117 0.217 0.000 1.048 1432 I CA 4.007 65.419 61.300 0.187 0.000 1.313 1432 I CB -0.240 37.815 38.000 0.093 0.000 1.043 1432 I HN -0.294 7.978 8.210 0.103 0.000 0.393 1433 N N -0.750 118.032 118.700 0.136 0.000 2.089 1433 N HA -0.501 4.320 4.740 0.134 0.000 0.198 1433 N C 1.795 177.357 175.510 0.087 0.000 1.017 1433 N CA 3.241 56.357 53.050 0.111 0.000 0.880 1433 N CB -0.887 37.641 38.487 0.069 0.000 1.042 1433 N HN 0.119 8.466 8.380 0.103 0.095 0.446 1434 R N -0.218 120.319 120.500 0.061 0.000 2.097 1434 R HA -0.379 3.974 4.340 0.021 0.000 0.236 1434 R C 2.413 178.714 176.300 0.002 0.000 1.135 1434 R CA 3.298 59.414 56.100 0.026 0.000 0.934 1434 R CB -0.081 30.228 30.300 0.016 0.000 0.846 1434 R HN -0.578 7.727 8.270 0.065 0.004 0.431 1435 I N -1.453 119.114 120.570 -0.005 0.000 2.194 1435 I HA -0.517 3.579 4.170 -0.122 0.000 0.246 1435 I C 2.212 178.248 176.117 -0.136 0.000 1.093 1435 I CA 4.067 65.303 61.300 -0.107 0.000 1.355 1435 I CB -0.349 37.538 38.000 -0.189 0.000 1.046 1435 I HN -0.283 7.946 8.210 0.031 0.000 0.413 1436 R N -1.515 118.976 120.500 -0.014 0.000 2.081 1436 R HA -0.365 3.932 4.340 -0.072 0.000 0.235 1436 R C 2.387 178.677 176.300 -0.017 0.000 1.131 1436 R CA 3.594 59.700 56.100 0.011 0.000 0.960 1436 R CB 0.035 30.426 30.300 0.152 0.000 0.856 1436 R HN -0.518 7.719 8.270 0.097 0.092 0.436 1437 V N -2.426 117.485 119.914 -0.004 0.000 2.871 1437 V HA -0.286 3.831 4.120 -0.005 0.000 0.256 1437 V C 1.724 177.800 176.094 -0.031 0.000 1.082 1437 V CA 3.003 65.298 62.300 -0.010 0.000 1.105 1437 V CB -0.014 31.811 31.823 0.003 0.000 0.713 1437 V HN -0.388 7.707 8.190 0.012 0.102 0.473 1438 E N -1.363 118.806 120.200 -0.051 0.000 2.340 1438 E HA -0.012 4.310 4.350 -0.046 0.000 0.194 1438 E C 0.414 176.962 176.600 -0.086 0.000 0.996 1438 E CA 1.360 57.722 56.400 -0.062 0.000 0.869 1438 E CB 0.745 30.404 29.700 -0.067 0.000 0.835 1438 E HN -0.040 8.129 8.360 -0.056 0.157 0.493 1439 N N -2.250 116.379 118.700 -0.117 0.000 2.610 1439 N HA 0.490 5.162 4.740 -0.113 0.000 0.307 1439 N C -2.344 173.094 175.510 -0.121 0.000 1.813 1439 N CA -1.386 51.579 53.050 -0.142 0.000 0.901 1439 N CB 0.617 38.966 38.487 -0.230 0.000 1.354 1439 N HN -0.198 7.972 8.380 -0.118 0.138 0.491 1440 P HA -0.017 4.418 4.420 -0.040 -0.039 0.223 1440 P C 0.643 177.918 177.300 -0.042 0.000 1.151 1440 P CA 1.353 64.426 63.100 -0.046 0.000 0.787 1440 P CB 0.382 32.066 31.700 -0.026 0.000 0.788 1441 N N -0.660 118.011 118.700 -0.048 0.000 2.011 1441 N HA -0.271 4.451 4.740 -0.029 0.000 0.199 1441 N C -0.055 175.432 175.510 -0.039 0.000 1.047 1441 N CA 2.393 55.420 53.050 -0.039 0.000 0.863 1441 N CB -0.255 38.206 38.487 -0.043 0.000 1.056 1441 N HN 0.410 8.722 8.380 -0.056 0.035 0.427 1442 S N -4.723 110.943 115.700 -0.057 0.000 2.671 1442 S HA 0.165 4.616 4.470 -0.032 0.000 0.277 1442 S C -0.680 173.869 174.600 -0.085 0.000 1.165 1442 S CA -1.033 57.136 58.200 -0.051 0.000 0.822 1442 S CB 2.249 65.425 63.200 -0.041 0.000 1.150 1442 S HN -0.696 7.569 8.310 -0.075 0.000 0.479 1443 L N 1.245 122.430 121.223 -0.063 0.000 2.068 1443 L HA -0.135 4.113 4.340 -0.153 0.000 0.204 1443 L C 1.926 178.712 176.870 -0.140 0.000 1.076 1443 L CA 2.944 57.728 54.840 -0.093 0.000 0.753 1443 L CB -0.043 42.021 42.059 0.009 0.000 0.910 1443 L HN 0.298 8.509 8.230 -0.031 0.000 0.439 1444 L N -1.661 119.516 121.223 -0.077 0.000 2.064 1444 L HA -0.442 3.867 4.340 -0.051 0.000 0.216 1444 L C 1.324 178.122 176.870 -0.121 0.000 1.077 1444 L CA 3.095 57.892 54.840 -0.072 0.000 0.766 1444 L CB -0.474 41.561 42.059 -0.040 0.000 0.890 1444 L HN -0.238 7.964 8.230 -0.046 0.000 0.435 1445 E N -3.516 116.600 120.200 -0.140 0.000 2.110 1445 E HA -0.461 3.814 4.350 -0.125 0.000 0.193 1445 E C 2.434 178.878 176.600 -0.260 0.000 0.988 1445 E CA 3.400 59.703 56.400 -0.161 0.000 0.804 1445 E CB -0.736 28.881 29.700 -0.138 0.000 0.745 1445 E HN 0.338 8.616 8.360 -0.121 0.010 0.458 1446 Q N -0.647 118.912 119.800 -0.402 0.000 2.084 1446 Q HA -0.326 3.607 4.340 -0.678 0.000 0.202 1446 Q C 2.648 178.259 176.000 -0.649 0.000 0.978 1446 Q CA 3.280 58.632 55.803 -0.753 0.000 0.844 1446 Q CB -0.066 27.899 28.738 -1.289 0.000 0.898 1446 Q HN 0.024 7.964 8.270 -0.351 0.119 0.426 1447 S N 0.521 115.990 115.700 -0.384 0.000 2.356 1447 S HA -0.273 4.179 4.470 -0.030 0.000 0.223 1447 S C 2.033 176.575 174.600 -0.097 0.000 1.032 1447 S CA 3.686 61.808 58.200 -0.130 0.000 1.005 1447 S CB -0.522 62.659 63.200 -0.031 0.000 0.867 1447 S HN -0.376 7.727 8.310 -0.345 0.000 0.449 1448 V N 2.403 122.248 119.914 -0.114 0.000 2.233 1448 V HA -0.484 3.608 4.120 -0.046 0.000 0.247 1448 V C 1.814 177.864 176.094 -0.073 0.000 1.050 1448 V CA 3.226 65.481 62.300 -0.075 0.000 1.010 1448 V CB -1.139 30.640 31.823 -0.073 0.000 0.637 1448 V HN -0.409 7.698 8.190 -0.137 0.000 0.444 1449 A N -0.723 122.022 122.820 -0.124 0.000 1.892 1449 A HA -0.347 3.925 4.320 -0.079 0.000 0.218 1449 A C 2.075 179.605 177.584 -0.090 0.000 1.188 1449 A CA 3.193 55.161 52.037 -0.116 0.000 0.631 1449 A CB -0.754 18.143 19.000 -0.172 0.000 0.822 1449 A HN -0.227 7.825 8.150 -0.165 0.000 0.447 1450 L N -1.291 119.863 121.223 -0.114 0.000 1.956 1450 L HA -0.415 3.855 4.340 -0.117 0.000 0.216 1450 L C 1.671 178.576 176.870 0.058 0.000 1.073 1450 L CA 3.131 57.946 54.840 -0.043 0.000 0.762 1450 L CB -0.248 41.862 42.059 0.085 0.000 0.889 1450 L HN -0.476 7.643 8.230 -0.184 0.000 0.433 1451 L N -2.162 119.109 121.223 0.079 0.000 2.034 1451 L HA -0.637 3.823 4.340 0.200 0.000 0.217 1451 L C 2.222 179.222 176.870 0.216 0.000 1.077 1451 L CA 3.311 58.243 54.840 0.153 0.000 0.769 1451 L CB -0.977 41.127 42.059 0.075 0.000 0.890 1451 L HN -0.261 7.991 8.230 0.036 0.000 0.435 1452 N N -2.470 116.295 118.700 0.108 0.000 2.094 1452 N HA -0.336 4.461 4.740 0.096 0.000 0.191 1452 N C 2.126 177.699 175.510 0.105 0.000 1.023 1452 N CA 3.153 56.255 53.050 0.086 0.000 0.857 1452 N CB -0.407 38.096 38.487 0.027 0.000 1.013 1452 N HN -0.344 8.069 8.380 0.055 0.000 0.426 1453 L N 0.392 121.676 121.223 0.102 0.000 1.994 1453 L HA -0.303 4.084 4.340 0.079 0.000 0.208 1453 L C 1.112 178.147 176.870 0.275 0.000 1.071 1453 L CA 3.277 58.189 54.840 0.120 0.000 0.745 1453 L CB -0.458 41.593 42.059 -0.013 0.000 0.892 1453 L HN -0.439 7.725 8.230 0.065 0.104 0.431 1454 W N -0.771 120.666 121.300 0.229 0.000 2.305 1454 W HA -0.451 4.477 4.660 0.447 0.000 0.308 1454 W C 1.432 178.028 176.519 0.128 0.000 1.226 1454 W CA 4.574 62.092 57.345 0.288 0.000 1.253 1454 W CB -0.339 29.272 29.460 0.252 0.000 1.146 1454 W HN -0.274 8.195 8.180 0.481 0.000 0.507 1455 V N -0.745 119.210 119.914 0.068 0.000 2.295 1455 V HA -0.634 3.110 4.120 -0.627 0.000 0.246 1455 V C 1.982 177.949 176.094 -0.212 0.000 1.049 1455 V CA 5.143 67.316 62.300 -0.213 0.000 1.024 1455 V CB -0.282 31.559 31.823 0.029 0.000 0.648 1455 V HN -0.158 8.241 8.190 0.356 0.004 0.447 1456 I N -0.785 119.743 120.570 -0.071 0.000 2.113 1456 I HA -0.574 3.556 4.170 -0.068 0.000 0.238 1456 I C 1.705 177.772 176.117 -0.084 0.000 1.070 1456 I CA 3.755 65.021 61.300 -0.057 0.000 1.332 1456 I CB -0.378 37.620 38.000 -0.004 0.000 1.044 1456 I HN -0.461 7.683 8.210 0.005 0.069 0.402 1457 R N -2.514 117.958 120.500 -0.046 0.000 2.112 1457 R HA -0.325 4.002 4.340 -0.020 0.000 0.242 1457 R C 2.845 179.051 176.300 -0.157 0.000 1.137 1457 R CA 2.293 58.362 56.100 -0.051 0.000 0.944 1457 R CB -0.371 29.951 30.300 0.037 0.000 0.857 1457 R HN 0.022 8.303 8.270 0.019 0.000 0.435 1458 E N -3.087 116.922 120.200 -0.319 0.000 2.051 1458 E HA -0.214 3.964 4.350 -0.286 0.000 0.192 1458 E C 1.687 178.130 176.600 -0.261 0.000 0.991 1458 E CA 1.352 57.524 56.400 -0.380 0.000 0.799 1458 E CB 0.497 29.753 29.700 -0.740 0.000 0.748 1458 E HN -0.468 7.647 8.360 -0.408 0.000 0.449 1459 G N -0.687 107.964 108.800 -0.249 0.000 4.026 1459 G HA2 -0.410 3.469 3.960 -0.136 0.000 0.309 1459 G HA3 -0.410 3.475 3.960 -0.125 0.000 0.309 1459 G C 0.194 175.001 174.900 -0.154 0.000 1.411 1459 G CA 1.318 46.322 45.100 -0.161 0.000 1.037 1459 G HN 0.216 8.218 8.290 -0.298 0.110 0.687 1460 Q N 3.180 122.904 119.800 -0.128 0.000 2.462 1460 Q HA 0.111 4.394 4.340 -0.094 0.000 0.224 1460 Q C 1.225 177.162 176.000 -0.105 0.000 0.911 1460 Q CA 0.232 55.975 55.803 -0.099 0.000 0.925 1460 Q CB 0.895 29.594 28.738 -0.065 0.000 1.063 1460 Q HN -0.079 8.119 8.270 -0.120 0.000 0.572 1461 N N 0.841 119.475 118.700 -0.111 0.000 2.334 1461 N HA -0.208 4.496 4.740 -0.059 0.000 0.187 1461 N C -0.062 175.381 175.510 -0.112 0.000 1.016 1461 N CA 1.082 54.077 53.050 -0.092 0.000 0.879 1461 N CB -0.354 38.081 38.487 -0.087 0.000 0.965 1461 N HN -0.480 7.832 8.380 -0.113 0.000 0.438 1462 A N -2.850 119.837 122.820 -0.223 0.000 2.555 1462 A HA -0.158 3.955 4.320 -0.344 0.000 0.233 1462 A C -1.351 176.201 177.584 -0.055 0.000 1.060 1462 A CA 0.497 52.342 52.037 -0.320 0.000 0.759 1462 A CB 0.429 19.032 19.000 -0.661 0.000 0.995 1462 A HN -0.267 7.674 8.150 -0.251 0.058 0.506 1463 N N 2.400 121.196 118.700 0.159 0.000 2.431 1463 N HA 0.041 4.847 4.740 0.111 0.000 0.275 1463 N C -0.263 175.379 175.510 0.220 0.000 1.091 1463 N CA -0.038 53.113 53.050 0.168 0.000 0.922 1463 N CB 2.265 40.816 38.487 0.108 0.000 1.666 1463 N HN -0.320 8.274 8.380 0.356 0.000 0.484 1464 M N 4.609 124.263 119.600 0.089 0.000 2.106 1464 M HA -0.400 3.941 4.480 -0.233 0.000 0.259 1464 M C 1.498 177.617 176.300 -0.301 0.000 1.068 1464 M CA 3.903 59.113 55.300 -0.151 0.000 1.100 1464 M CB 0.174 32.745 32.600 -0.048 0.000 1.351 1464 M HN 0.451 8.797 8.290 0.093 0.000 0.404 1465 E N -1.674 118.544 120.200 0.029 0.000 2.021 1465 E HA -0.425 4.151 4.350 0.377 0.000 0.200 1465 E C 2.098 178.736 176.600 0.064 0.000 1.015 1465 E CA 3.179 59.669 56.400 0.150 0.000 0.824 1465 E CB -0.789 28.994 29.700 0.139 0.000 0.762 1465 E HN -0.424 8.149 8.360 0.080 -0.165 0.454 1466 N N -0.275 118.467 118.700 0.070 0.000 2.069 1466 N HA -0.373 4.409 4.740 0.070 0.000 0.196 1466 N C 2.300 177.784 175.510 -0.043 0.000 1.024 1466 N CA 3.164 56.258 53.050 0.074 0.000 0.869 1466 N CB -0.026 38.572 38.487 0.185 0.000 1.035 1466 N HN -0.602 7.837 8.380 0.098 0.000 0.434 1467 L N 0.299 121.389 121.223 -0.222 0.000 1.989 1467 L HA -0.467 3.469 4.340 -0.673 0.000 0.211 1467 L C 1.704 178.378 176.870 -0.326 0.000 1.071 1467 L CA 3.589 58.092 54.840 -0.562 0.000 0.749 1467 L CB 0.095 41.608 42.059 -0.911 0.000 0.890 1467 L HN -0.465 7.680 8.230 -0.135 0.004 0.431 1468 Y N -3.256 116.977 120.300 -0.111 0.000 2.165 1468 Y HA -0.428 4.075 4.550 -0.080 0.000 0.286 1468 Y C 2.646 178.514 175.900 -0.054 0.000 1.155 1468 Y CA 2.549 60.608 58.100 -0.069 0.000 1.164 1468 Y CB -1.071 37.370 38.460 -0.032 0.000 0.978 1468 Y HN -0.168 7.744 8.280 -0.495 0.071 0.513 1469 T N 1.744 116.364 114.554 0.109 0.000 2.720 1469 T HA -0.517 3.873 4.350 0.067 0.000 0.268 1469 T C 1.704 176.414 174.700 0.016 0.000 1.037 1469 T CA 5.116 67.251 62.100 0.058 0.000 1.144 1469 T CB -0.444 68.452 68.868 0.047 0.000 0.864 1469 T HN -0.098 8.205 8.240 0.105 0.000 0.444 1470 A N 1.144 123.949 122.820 -0.025 0.000 1.933 1470 A HA -0.244 4.060 4.320 -0.026 0.000 0.218 1470 A C 1.686 179.249 177.584 -0.035 0.000 1.175 1470 A CA 2.907 54.916 52.037 -0.046 0.000 0.628 1470 A CB -0.670 18.267 19.000 -0.106 0.000 0.814 1470 A HN -0.407 7.634 8.150 -0.049 0.080 0.444 1471 L N -2.381 118.826 121.223 -0.027 0.000 1.994 1471 L HA -0.545 3.786 4.340 -0.015 0.000 0.208 1471 L C 2.738 179.616 176.870 0.014 0.000 1.071 1471 L CA 3.008 57.848 54.840 -0.000 0.000 0.745 1471 L CB -0.413 41.668 42.059 0.038 0.000 0.892 1471 L HN -0.410 7.701 8.230 -0.035 0.097 0.431 1472 Q N -1.502 118.313 119.800 0.026 0.000 2.096 1472 Q HA -0.453 3.979 4.340 0.017 -0.082 0.204 1472 Q C 2.883 178.887 176.000 0.007 0.000 0.982 1472 Q CA 3.148 58.962 55.803 0.018 0.000 0.850 1472 Q CB -0.367 28.384 28.738 0.021 0.000 0.901 1472 Q HN -0.137 8.158 8.270 0.042 0.000 0.422 1473 S N 0.565 116.267 115.700 0.003 0.000 2.381 1473 S HA -0.322 4.147 4.470 -0.001 0.000 0.230 1473 S C 1.172 175.767 174.600 -0.008 0.000 1.052 1473 S CA 3.376 61.574 58.200 -0.003 0.000 1.068 1473 S CB 0.035 63.231 63.200 -0.007 0.000 0.918 1473 S HN -0.365 7.942 8.310 0.006 0.007 0.448 1474 I N -4.491 116.072 120.570 -0.011 0.000 3.764 1474 I HA 0.020 4.178 4.170 -0.020 0.000 0.312 1474 I C -0.712 175.399 176.117 -0.010 0.000 1.340 1474 I CA -0.723 60.567 61.300 -0.017 0.000 1.195 1474 I CB -0.663 37.321 38.000 -0.027 0.000 1.068 1474 I HN -0.861 7.341 8.210 -0.011 0.001 0.421 1475 D N -0.629 119.768 120.400 -0.005 0.000 2.723 1475 D HA -0.326 4.350 4.640 -0.000 -0.036 0.236 1475 D C -1.072 175.231 176.300 0.005 0.000 1.138 1475 D CA 1.608 55.608 54.000 -0.001 0.000 0.676 1475 D CB -0.743 40.055 40.800 -0.005 0.000 1.069 1475 D HN 0.141 8.303 8.370 -0.004 0.206 0.430 1476 R N -1.014 119.493 120.500 0.011 0.000 2.881 1476 R HA 0.276 4.631 4.340 0.023 0.000 0.331 1476 R C -0.205 176.114 176.300 0.032 0.000 1.207 1476 R CA -1.618 54.496 56.100 0.024 0.000 1.265 1476 R CB 0.668 30.985 30.300 0.028 0.000 1.351 1476 R HN -0.587 7.578 8.270 0.009 0.111 0.613 1477 G N -0.718 108.094 108.800 0.020 0.000 2.838 1477 G HA2 -0.035 3.940 3.960 0.025 0.000 0.210 1477 G HA3 -0.035 3.928 3.960 0.005 0.000 0.210 1477 G C -0.045 174.861 174.900 0.010 0.000 1.153 1477 G CA 0.369 45.478 45.100 0.015 0.000 0.778 1477 G HN 0.240 8.538 8.290 0.013 0.000 0.539 1478 E N 1.239 121.448 120.200 0.015 0.000 2.160 1478 E HA -0.321 4.026 4.350 -0.005 0.000 0.195 1478 E C 1.778 178.397 176.600 0.032 0.000 0.991 1478 E CA 2.410 58.815 56.400 0.009 0.000 0.810 1478 E CB -0.505 29.195 29.700 0.000 0.000 0.742 1478 E HN 0.248 8.576 8.360 0.016 0.041 0.466 1479 I N -3.079 117.539 120.570 0.079 0.000 2.202 1479 I HA -0.316 4.000 4.170 0.244 0.000 0.242 1479 I C 1.868 178.034 176.117 0.081 0.000 1.091 1479 I CA 3.131 64.527 61.300 0.160 0.000 1.368 1479 I CB 0.058 38.174 38.000 0.193 0.000 1.058 1479 I HN -0.567 7.663 8.210 0.073 0.024 0.410 1480 V N -0.513 119.410 119.914 0.014 0.000 2.594 1480 V HA -0.524 3.469 4.120 -0.212 0.000 0.253 1480 V C 2.250 178.256 176.094 -0.146 0.000 1.069 1480 V CA 4.182 66.392 62.300 -0.150 0.000 1.082 1480 V CB -0.945 30.743 31.823 -0.224 0.000 0.680 1480 V HN -0.158 8.054 8.190 0.037 0.000 0.469 1481 N N -0.304 118.355 118.700 -0.068 0.000 2.135 1481 N HA -0.167 4.526 4.740 -0.078 0.000 0.186 1481 N C 1.845 177.333 175.510 -0.035 0.000 1.027 1481 N CA 2.716 55.732 53.050 -0.057 0.000 0.849 1481 N CB 0.144 38.610 38.487 -0.036 0.000 1.002 1481 N HN -0.335 7.905 8.380 -0.037 0.118 0.425 1482 M N -2.109 117.487 119.600 -0.006 0.000 2.394 1482 M HA -0.113 4.366 4.480 -0.003 0.000 0.264 1482 M C 1.103 177.423 176.300 0.033 0.000 1.073 1482 M CA 2.787 58.095 55.300 0.013 0.000 1.111 1482 M CB 0.019 32.630 32.600 0.018 0.000 1.401 1482 M HN -0.387 7.906 8.290 0.005 0.000 0.448 1483 L N -2.334 118.906 121.223 0.028 0.000 2.130 1483 L HA -0.045 4.329 4.340 0.057 0.000 0.200 1483 L C 0.625 177.480 176.870 -0.025 0.000 1.075 1483 L CA 1.192 56.047 54.840 0.025 0.000 0.768 1483 L CB 0.911 42.994 42.059 0.040 0.000 0.933 1483 L HN -0.310 7.801 8.230 0.013 0.127 0.451 1484 E N -1.248 118.895 120.200 -0.094 0.000 2.102 1484 E HA 0.117 4.430 4.350 -0.061 0.000 0.263 1484 E C -1.118 175.433 176.600 -0.081 0.000 0.894 1484 E CA -0.766 55.571 56.400 -0.106 0.000 0.746 1484 E CB 0.344 29.917 29.700 -0.211 0.000 1.129 1484 E HN -0.158 8.004 8.360 -0.127 0.122 0.416 1485 G N 3.282 112.055 108.800 -0.045 0.000 3.298 1485 G HA2 0.073 4.008 3.960 -0.042 0.000 0.303 1485 G HA3 0.073 4.015 3.960 -0.030 0.000 0.303 1485 G C 0.419 175.306 174.900 -0.021 0.000 1.668 1485 G CA -0.029 45.050 45.100 -0.035 0.000 0.733 1485 G HN 0.008 8.279 8.290 -0.033 0.000 0.453 1486 S N 3.318 119.006 115.700 -0.020 0.000 2.387 1486 S HA -0.202 4.263 4.470 -0.008 0.000 0.230 1486 S C 1.380 175.975 174.600 -0.010 0.000 1.035 1486 S CA 0.763 58.956 58.200 -0.012 0.000 1.014 1486 S CB 0.107 63.301 63.200 -0.010 0.000 0.836 1486 S HN 0.126 8.420 8.310 -0.026 0.000 0.466 1487 G N 2.880 111.673 108.800 -0.012 0.000 2.434 1487 G HA2 -0.235 3.719 3.960 -0.011 0.000 0.224 1487 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.224 1487 G C -1.397 173.499 174.900 -0.007 0.000 0.807 1487 G CA 0.295 45.389 45.100 -0.010 0.000 1.113 1487 G HN 0.121 8.386 8.290 -0.016 0.015 0.327 1488 R N 3.592 124.088 120.500 -0.007 0.000 2.888 1488 R HA 0.123 4.460 4.340 -0.004 0.000 0.266 1488 R C -1.357 174.940 176.300 -0.005 0.000 1.020 1488 R CA -1.318 54.779 56.100 -0.005 0.000 0.963 1488 R CB 1.968 32.265 30.300 -0.004 0.000 1.197 1488 R HN -0.089 8.176 8.270 -0.008 0.000 0.481 1489 Q N 0.346 120.144 119.800 -0.004 0.000 2.263 1489 Q HA 0.242 4.580 4.340 -0.004 0.000 0.262 1489 Q C -0.738 175.261 176.000 -0.003 0.000 0.984 1489 Q CA -0.018 55.783 55.803 -0.003 0.000 0.813 1489 Q CB 2.792 31.528 28.738 -0.003 0.000 1.299 1489 Q HN 0.293 8.561 8.270 -0.003 0.000 0.428 1490 S N 3.839 119.538 115.700 -0.002 0.000 2.665 1490 S HA 0.180 4.649 4.470 -0.002 0.000 0.230 1490 S C -0.591 174.008 174.600 -0.002 0.000 1.326 1490 S CA -0.185 58.014 58.200 -0.002 0.000 1.055 1490 S CB 0.088 63.287 63.200 -0.002 0.000 1.178 1490 S HN 0.226 8.534 8.310 -0.003 0.000 0.489 1491 R N 4.252 124.751 120.500 -0.002 0.000 2.802 1491 R HA -0.183 4.156 4.340 -0.002 0.000 0.264 1491 R C -0.778 175.521 176.300 -0.001 0.000 0.996 1491 R CA 0.378 56.477 56.100 -0.002 0.000 1.123 1491 R CB 0.378 30.677 30.300 -0.001 0.000 0.996 1491 R HN 0.061 8.330 8.270 -0.002 0.000 0.444 1492 N N 0.696 119.396 118.700 -0.001 0.000 2.461 1492 N HA 0.247 4.987 4.740 -0.001 0.000 0.284 1492 N C -0.286 175.223 175.510 -0.001 0.000 1.049 1492 N CA -0.117 52.932 53.050 -0.001 0.000 0.889 1492 N CB 1.179 39.666 38.487 -0.001 0.000 1.365 1492 N HN 0.151 8.530 8.380 -0.001 0.000 0.499 1493 L N 1.965 123.187 121.223 -0.001 0.000 2.005 1493 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 1493 L C -0.172 176.698 176.870 -0.001 0.000 1.072 1493 L CA 1.586 56.425 54.840 -0.001 0.000 0.744 1493 L CB 0.557 42.616 42.059 -0.001 0.000 0.895 1493 L HN 0.432 8.662 8.230 -0.001 0.000 0.433 1494 K N -6.082 114.318 120.400 -0.001 0.000 2.639 1494 K HA 0.200 4.520 4.320 -0.001 0.000 0.279 1494 K C -2.837 173.762 176.600 -0.001 0.000 0.976 1494 K CA -1.956 54.331 56.287 -0.001 0.000 0.861 1494 K CB -0.076 32.424 32.500 -0.001 0.000 1.436 1494 K HN -0.593 7.657 8.250 -0.001 0.000 0.400 1495 P HA 0.043 4.463 4.420 -0.001 0.000 0.271 1495 P C -1.265 176.035 177.300 -0.000 0.000 1.220 1495 P CA 0.084 63.183 63.100 -0.001 0.000 0.768 1495 P CB 0.411 32.111 31.700 -0.001 0.000 0.848 1496 D N 0.690 121.090 120.400 -0.000 0.000 2.252 1496 D HA 0.148 4.788 4.640 -0.000 0.000 0.245 1496 D C -0.542 175.758 176.300 -0.000 0.000 1.009 1496 D CA -0.722 53.278 54.000 -0.000 0.000 0.870 1496 D CB 1.222 42.022 40.800 -0.000 0.000 1.251 1496 D HN -0.004 8.366 8.370 -0.000 0.000 0.460 1497 R N 0.000 120.500 120.500 -0.000 0.000 2.786 1497 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1497 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 1497 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 1497 R HN 0.000 8.270 8.270 -0.000 0.000 0.535