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 3lgl_1_A DATA FIRST_RESID 1485 DATA SEQUENCE SFVGLRVVAK WSSNGYFYSG KITRDVGAGK YKLLFDDGYE CDVLGKDILL DATA SEQUENCE CDPIPLDTEV TALSEDEYFS AGVVKGHRKE SGELYYSIEK EGQRKWYKRM DATA SEQUENCE AVILSLEQGN RLREQYGLG 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 1485 S HA 0.000 4.258 4.470 -0.353 0.000 0.327 1485 S C 0.000 174.540 174.600 -0.101 0.000 1.055 1485 S CA 0.000 58.085 58.200 -0.192 0.000 1.107 1485 S CB 0.000 63.158 63.200 -0.069 0.000 0.593 1486 F N 0.899 120.874 119.950 0.042 0.000 2.748 1486 F HA 0.120 4.630 4.527 -0.029 0.000 0.299 1486 F C -0.222 175.574 175.800 -0.006 0.000 1.154 1486 F CA -0.965 57.026 58.000 -0.014 0.000 1.446 1486 F CB -0.111 38.824 39.000 -0.108 0.000 1.112 1486 F HN 0.356 8.586 8.300 -0.116 0.000 0.584 1487 V N 0.347 120.369 119.914 0.180 0.000 2.529 1487 V HA -0.582 3.620 4.120 0.136 0.000 0.292 1487 V C 0.991 177.133 176.094 0.081 0.000 1.028 1487 V CA 1.897 64.271 62.300 0.124 0.000 1.074 1487 V CB -0.127 31.753 31.823 0.095 0.000 0.958 1487 V HN -0.717 7.498 8.190 0.145 0.062 0.481 1488 G N 5.661 114.497 108.800 0.060 0.000 2.175 1488 G HA2 -0.428 3.549 3.960 0.028 0.000 0.244 1488 G HA3 -0.428 3.555 3.960 0.037 0.000 0.244 1488 G C -0.966 173.952 174.900 0.030 0.000 0.982 1488 G CA -0.072 45.050 45.100 0.038 0.000 0.641 1488 G HN 0.680 9.005 8.290 0.058 0.000 0.527 1489 L N 0.331 121.577 121.223 0.038 0.000 2.426 1489 L HA -0.035 4.321 4.340 0.025 0.000 0.271 1489 L C -0.536 176.327 176.870 -0.013 0.000 1.169 1489 L CA -0.368 54.484 54.840 0.019 0.000 0.836 1489 L CB 0.300 42.373 42.059 0.023 0.000 1.112 1489 L HN -0.717 7.491 8.230 0.056 0.055 0.465 1490 R N 1.915 122.408 120.500 -0.012 0.000 2.308 1490 R HA 0.333 4.825 4.340 -0.020 -0.165 0.305 1490 R C -0.115 176.169 176.300 -0.027 0.000 1.053 1490 R CA 0.214 56.304 56.100 -0.017 0.000 0.957 1490 R CB 0.633 30.928 30.300 -0.009 0.000 1.022 1490 R HN 0.344 8.611 8.270 -0.005 0.000 0.461 1491 V N -3.892 116.007 119.914 -0.025 0.000 3.165 1491 V HA 0.785 4.967 4.120 -0.029 -0.080 0.309 1491 V C -2.540 173.575 176.094 0.036 0.000 1.267 1491 V CA -3.407 58.879 62.300 -0.022 0.000 1.067 1491 V CB 4.102 35.886 31.823 -0.064 0.000 1.082 1491 V HN 0.387 8.566 8.190 -0.020 0.000 0.451 1492 V N -1.425 118.532 119.914 0.073 0.000 2.443 1492 V HA 0.469 4.907 4.120 0.213 -0.191 0.293 1492 V C -1.707 174.580 176.094 0.322 0.000 1.021 1492 V CA -1.567 60.840 62.300 0.177 0.000 0.848 1492 V CB 1.952 33.832 31.823 0.094 0.000 0.998 1492 V HN -0.054 8.166 8.190 0.050 0.000 0.424 1493 A N 6.759 129.839 122.820 0.433 0.000 2.401 1493 A HA 0.878 5.607 4.320 0.421 -0.157 0.310 1493 A C -2.031 175.795 177.584 0.402 0.000 1.075 1493 A CA -2.488 49.803 52.037 0.424 0.000 0.746 1493 A CB 4.189 23.337 19.000 0.248 0.000 1.277 1493 A HN 0.758 9.204 8.150 0.494 0.000 0.425 1494 K N 2.676 123.048 120.400 -0.046 0.000 2.322 1494 K HA -0.014 4.081 4.320 -0.658 -0.170 0.283 1494 K C -0.301 176.365 176.600 0.110 0.000 1.042 1494 K CA -0.337 55.689 56.287 -0.434 0.000 0.958 1494 K CB 1.333 33.331 32.500 -0.838 0.000 0.984 1494 K HN 0.023 8.248 8.250 -0.041 0.000 0.473 1495 W N 9.534 130.796 121.300 -0.063 0.000 2.357 1495 W HA 0.283 4.889 4.660 -0.091 0.000 0.317 1495 W C -0.172 176.299 176.519 -0.080 0.000 1.101 1495 W CA -1.070 56.214 57.345 -0.101 0.000 1.380 1495 W CB 0.895 30.217 29.460 -0.229 0.000 1.266 1495 W HN 0.652 9.021 8.180 0.314 0.000 0.419 1496 S N 7.415 122.889 115.700 -0.376 0.000 2.400 1496 S HA -0.416 3.946 4.470 -0.179 0.000 0.232 1496 S C 0.441 174.890 174.600 -0.251 0.000 1.025 1496 S CA 2.754 60.788 58.200 -0.277 0.000 0.993 1496 S CB -0.655 62.382 63.200 -0.272 0.000 0.808 1496 S HN 0.367 8.393 8.310 -0.475 0.000 0.478 1497 S N 0.532 115.968 115.700 -0.439 0.000 2.419 1497 S HA -0.103 4.268 4.470 -0.164 0.000 0.233 1497 S C 0.458 175.068 174.600 0.017 0.000 1.016 1497 S CA 1.979 60.058 58.200 -0.202 0.000 0.974 1497 S CB 0.009 63.086 63.200 -0.205 0.000 0.786 1497 S HN -0.125 7.663 8.310 -0.839 0.018 0.492 1498 N N -0.512 118.278 118.700 0.149 0.000 2.145 1498 N HA 0.085 4.926 4.740 0.169 0.000 0.219 1498 N C 0.777 176.459 175.510 0.287 0.000 1.266 1498 N CA -0.669 52.523 53.050 0.236 0.000 0.902 1498 N CB 1.643 40.292 38.487 0.271 0.000 1.078 1498 N HN -0.654 7.814 8.380 0.182 0.021 0.513 1499 G N -0.177 108.731 108.800 0.180 0.000 2.205 1499 G HA2 -0.415 3.527 3.960 -0.029 0.000 0.261 1499 G HA3 -0.415 3.583 3.960 0.064 0.000 0.261 1499 G C -1.160 173.763 174.900 0.038 0.000 0.980 1499 G CA 0.683 45.822 45.100 0.065 0.000 0.632 1499 G HN 0.033 8.402 8.290 0.132 0.000 0.533 1500 Y N 0.126 120.463 120.300 0.061 0.000 2.301 1500 Y HA 0.078 4.813 4.550 0.088 -0.132 0.328 1500 Y C -0.588 175.268 175.900 -0.074 0.000 1.242 1500 Y CA 0.900 59.001 58.100 0.002 0.000 1.323 1500 Y CB 1.267 39.624 38.460 -0.171 0.000 1.266 1500 Y HN -0.609 8.242 8.280 0.584 -0.221 0.527 1501 F N -2.150 117.751 119.950 -0.082 0.000 2.443 1501 F HA 0.404 5.181 4.527 0.221 -0.118 0.335 1501 F C -0.460 175.210 175.800 -0.217 0.000 1.104 1501 F CA -1.391 56.615 58.000 0.010 0.000 1.013 1501 F CB 1.998 40.999 39.000 0.001 0.000 1.136 1501 F HN 0.525 9.039 8.300 0.356 0.000 0.470 1502 Y N 0.340 120.840 120.300 0.334 0.000 2.536 1502 Y HA 0.233 4.875 4.550 0.153 0.000 0.347 1502 Y C -0.769 175.329 175.900 0.329 0.000 1.000 1502 Y CA -1.492 56.747 58.100 0.232 0.000 1.051 1502 Y CB 4.049 42.527 38.460 0.029 0.000 1.259 1502 Y HN 0.434 9.101 8.280 0.645 0.000 0.468 1503 S N 0.790 116.707 115.700 0.361 0.000 2.549 1503 S HA 0.110 4.877 4.470 0.200 -0.177 0.283 1503 S C 0.366 175.124 174.600 0.265 0.000 1.320 1503 S CA 0.830 59.179 58.200 0.248 0.000 1.058 1503 S CB 0.421 63.725 63.200 0.172 0.000 0.882 1503 S HN 0.601 9.095 8.310 0.307 0.000 0.498 1504 G N 4.023 112.884 108.800 0.101 0.000 2.619 1504 G HA2 0.516 4.663 3.960 0.006 0.000 0.305 1504 G HA3 0.516 4.330 3.960 -0.245 0.000 0.305 1504 G C -3.162 171.690 174.900 -0.079 0.000 1.330 1504 G CA 0.453 45.521 45.100 -0.053 0.000 0.789 1504 G HN 0.201 8.535 8.290 0.073 0.000 0.487 1505 K N -1.163 119.164 120.400 -0.122 0.000 2.427 1505 K HA 0.812 5.283 4.320 -0.062 -0.189 0.252 1505 K C -0.893 175.656 176.600 -0.086 0.000 0.931 1505 K CA -1.667 54.575 56.287 -0.074 0.000 0.793 1505 K CB 5.008 37.490 32.500 -0.030 0.000 1.211 1505 K HN 0.189 8.341 8.250 -0.163 0.000 0.426 1506 I N 4.398 124.936 120.570 -0.053 0.000 2.533 1506 I HA 0.038 4.370 4.170 -0.010 -0.168 0.284 1506 I C 0.938 177.078 176.117 0.038 0.000 1.109 1506 I CA 1.104 62.402 61.300 -0.004 0.000 1.412 1506 I CB -0.070 37.930 38.000 0.001 0.000 1.396 1506 I HN 0.076 8.255 8.210 -0.051 0.000 0.543 1507 T N 6.110 120.697 114.554 0.053 0.000 2.971 1507 T HA 0.095 4.473 4.350 0.047 0.000 0.252 1507 T C -0.179 174.567 174.700 0.076 0.000 1.022 1507 T CA -0.466 61.666 62.100 0.054 0.000 0.980 1507 T CB 1.150 70.039 68.868 0.035 0.000 1.044 1507 T HN 0.680 8.955 8.240 0.057 0.000 0.501 1508 R N 0.746 121.313 120.500 0.112 0.000 2.594 1508 R HA 0.203 4.603 4.340 0.100 0.000 0.265 1508 R C -2.725 173.671 176.300 0.161 0.000 1.070 1508 R CA -0.569 55.596 56.100 0.108 0.000 0.909 1508 R CB 3.538 33.874 30.300 0.061 0.000 1.243 1508 R HN -0.801 7.549 8.270 0.134 0.000 0.455 1509 D N 5.282 125.760 120.400 0.130 0.000 2.365 1509 D HA 0.149 4.787 4.640 -0.003 0.000 0.237 1509 D C -0.051 176.199 176.300 -0.083 0.000 1.190 1509 D CA -0.037 53.983 54.000 0.033 0.000 0.867 1509 D CB -0.199 40.653 40.800 0.087 0.000 1.050 1509 D HN 0.335 8.771 8.370 0.110 0.000 0.491 1510 V N 3.982 123.793 119.914 -0.172 0.000 3.461 1510 V HA -0.019 4.061 4.120 -0.066 0.000 0.267 1510 V C 0.156 176.170 176.094 -0.133 0.000 1.186 1510 V CA 0.354 62.585 62.300 -0.115 0.000 1.154 1510 V CB 0.348 32.117 31.823 -0.090 0.000 0.802 1510 V HN -0.016 8.013 8.190 -0.269 0.000 0.474 1511 G N -0.796 107.884 108.800 -0.201 0.000 2.675 1511 G HA2 -0.134 3.745 3.960 -0.135 0.000 0.686 1511 G HA3 -0.134 3.767 3.960 -0.098 0.000 0.686 1511 G C -0.713 174.100 174.900 -0.145 0.000 1.215 1511 G CA -0.668 44.345 45.100 -0.145 0.000 0.777 1511 G HN -0.472 7.861 8.290 -0.293 -0.219 0.638 1512 A N 0.918 123.682 122.820 -0.093 0.000 2.832 1512 A HA -0.356 3.945 4.320 -0.032 0.000 0.280 1512 A C 0.966 178.516 177.584 -0.058 0.000 1.464 1512 A CA 1.069 53.073 52.037 -0.055 0.000 0.804 1512 A CB -1.763 17.212 19.000 -0.041 0.000 1.020 1512 A HN 0.729 8.834 8.150 -0.075 0.000 0.563 1513 G N -7.433 101.310 108.800 -0.095 0.000 2.157 1513 G HA2 -0.500 3.493 3.960 0.055 0.000 0.239 1513 G HA3 -0.500 3.479 3.960 0.032 0.000 0.239 1513 G C -1.128 173.704 174.900 -0.113 0.000 0.982 1513 G CA -0.166 44.917 45.100 -0.028 0.000 0.650 1513 G HN 0.424 8.608 8.290 -0.139 0.023 0.527 1514 K N -0.065 120.142 120.400 -0.323 0.000 2.203 1514 K HA 0.636 5.044 4.320 -0.074 -0.132 0.251 1514 K C -1.546 174.706 176.600 -0.581 0.000 0.944 1514 K CA -1.212 54.919 56.287 -0.259 0.000 0.829 1514 K CB 3.391 35.819 32.500 -0.120 0.000 1.125 1514 K HN -0.697 7.197 8.250 -0.345 0.150 0.430 1515 Y N -0.213 120.111 120.300 0.040 0.000 2.492 1515 Y HA 0.396 5.114 4.550 0.050 -0.137 0.346 1515 Y C -1.325 174.590 175.900 0.026 0.000 0.997 1515 Y CA -1.243 56.882 58.100 0.041 0.000 1.025 1515 Y CB 4.514 42.998 38.460 0.039 0.000 1.263 1515 Y HN 0.304 8.660 8.280 0.128 0.000 0.454 1516 K N 2.635 123.129 120.400 0.158 0.000 2.249 1516 K HA 0.257 4.873 4.320 0.093 -0.240 0.280 1516 K C -1.863 174.780 176.600 0.071 0.000 1.033 1516 K CA -0.620 55.727 56.287 0.100 0.000 0.946 1516 K CB 1.477 34.020 32.500 0.072 0.000 1.005 1516 K HN 0.601 8.944 8.250 0.156 0.000 0.469 1517 L N 6.507 127.739 121.223 0.016 0.000 2.372 1517 L HA 0.487 4.887 4.340 -0.157 -0.154 0.274 1517 L C -2.796 173.965 176.870 -0.181 0.000 0.988 1517 L CA -1.582 53.159 54.840 -0.165 0.000 0.833 1517 L CB 2.898 44.755 42.059 -0.337 0.000 1.236 1517 L HN 0.550 8.812 8.230 0.054 0.000 0.410 1518 L N 6.653 127.784 121.223 -0.152 0.000 2.259 1518 L HA 0.422 4.792 4.340 0.051 0.000 0.288 1518 L C -1.724 175.078 176.870 -0.114 0.000 1.051 1518 L CA -1.536 53.278 54.840 -0.044 0.000 0.824 1518 L CB 0.669 42.732 42.059 0.006 0.000 1.206 1518 L HN 0.419 8.569 8.230 -0.134 0.000 0.429 1519 F N 7.283 127.287 119.950 0.090 0.000 2.444 1519 F HA -0.068 4.500 4.527 0.069 0.000 0.331 1519 F C 1.648 177.471 175.800 0.038 0.000 1.167 1519 F CA 1.174 59.207 58.000 0.054 0.000 1.262 1519 F CB 0.700 39.688 39.000 -0.021 0.000 1.196 1519 F HN 0.574 9.057 8.300 0.305 0.000 0.583 1520 D N 1.638 122.175 120.400 0.227 0.000 2.310 1520 D HA -0.195 4.505 4.640 0.100 0.000 0.212 1520 D C 0.284 176.648 176.300 0.107 0.000 0.965 1520 D CA 2.856 56.934 54.000 0.130 0.000 0.879 1520 D CB -0.362 40.506 40.800 0.113 0.000 0.921 1520 D HN 0.145 8.682 8.370 0.278 0.000 0.510 1521 D N -4.626 115.844 120.400 0.117 0.000 2.339 1521 D HA -0.080 4.600 4.640 0.067 0.000 0.217 1521 D C 1.124 177.515 176.300 0.152 0.000 1.050 1521 D CA -0.390 53.665 54.000 0.091 0.000 0.856 1521 D CB -0.747 40.054 40.800 0.001 0.000 0.922 1521 D HN -0.383 8.038 8.370 0.138 0.032 0.518 1522 G N -1.524 107.379 108.800 0.171 0.000 2.213 1522 G HA2 -0.392 3.624 3.960 0.093 0.000 0.226 1522 G HA3 -0.392 3.596 3.960 0.046 0.000 0.226 1522 G C -0.592 174.378 174.900 0.116 0.000 0.992 1522 G CA -0.187 44.977 45.100 0.106 0.000 0.632 1522 G HN -0.396 7.850 8.290 0.197 0.163 0.511 1523 Y N 1.340 121.652 120.300 0.022 0.000 2.511 1523 Y HA -0.207 4.378 4.550 0.059 0.000 0.332 1523 Y C -1.038 175.032 175.900 0.283 0.000 1.177 1523 Y CA 0.839 58.978 58.100 0.065 0.000 1.422 1523 Y CB 0.731 39.066 38.460 -0.210 0.000 1.271 1523 Y HN -0.855 7.848 8.280 0.489 -0.129 0.550 1524 E N 2.106 122.543 120.200 0.396 0.000 2.277 1524 E HA 1.117 6.111 4.350 0.421 -0.391 0.266 1524 E C -1.068 175.779 176.600 0.412 0.000 0.901 1524 E CA -2.395 54.226 56.400 0.369 0.000 0.782 1524 E CB 3.726 33.537 29.700 0.184 0.000 1.228 1524 E HN -0.006 8.536 8.360 0.304 0.000 0.424 1525 C N -2.319 117.202 119.300 0.367 0.000 3.275 1525 C HA 0.347 4.914 4.460 0.178 0.000 0.340 1525 C C -2.436 172.659 174.990 0.175 0.000 1.366 1525 C CA -2.345 56.825 59.018 0.254 0.000 1.227 1525 C CB 3.010 30.900 27.740 0.249 0.000 1.512 1525 C HN 0.290 8.717 8.230 0.328 0.000 0.461 1526 D N 1.206 121.665 120.400 0.097 0.000 2.255 1526 D HA 0.672 5.558 4.640 0.093 -0.190 0.249 1526 D C -0.184 176.164 176.300 0.081 0.000 1.078 1526 D CA -0.168 53.879 54.000 0.077 0.000 0.896 1526 D CB 0.675 41.495 40.800 0.034 0.000 1.194 1526 D HN -0.036 8.373 8.370 0.066 0.000 0.429 1527 V N 0.453 120.434 119.914 0.112 0.000 2.760 1527 V HA 0.248 4.416 4.120 0.080 0.000 0.309 1527 V C -1.078 175.102 176.094 0.142 0.000 1.077 1527 V CA -2.066 60.305 62.300 0.118 0.000 0.910 1527 V CB 4.151 36.067 31.823 0.155 0.000 1.008 1527 V HN 0.350 8.619 8.190 0.131 0.000 0.424 1528 L N 3.682 124.967 121.223 0.104 0.000 2.485 1528 L HA -0.070 4.475 4.340 0.122 -0.132 0.275 1528 L C 2.223 179.207 176.870 0.191 0.000 1.207 1528 L CA 0.690 55.605 54.840 0.125 0.000 0.855 1528 L CB 0.036 42.141 42.059 0.075 0.000 1.114 1528 L HN 0.550 8.822 8.230 0.069 0.000 0.485 1529 G N 1.718 110.683 108.800 0.275 0.000 2.450 1529 G HA2 -0.353 3.719 3.960 0.187 0.000 0.220 1529 G HA3 -0.353 3.910 3.960 0.319 -0.112 0.220 1529 G C 0.755 175.720 174.900 0.108 0.000 1.130 1529 G CA 2.358 47.602 45.100 0.239 0.000 0.760 1529 G HN 0.654 9.112 8.290 0.281 0.000 0.557 1530 K N -3.449 117.020 120.400 0.114 0.000 2.504 1530 K HA -0.204 4.239 4.320 0.083 -0.073 0.195 1530 K C -0.299 176.380 176.600 0.132 0.000 1.036 1530 K CA 1.291 57.637 56.287 0.098 0.000 0.984 1530 K CB -1.311 31.239 32.500 0.084 0.000 0.788 1530 K HN 0.036 8.343 8.250 0.121 0.016 0.488 1531 D N -1.989 118.495 120.400 0.140 0.000 2.424 1531 D HA 0.263 5.078 4.640 0.292 0.000 0.220 1531 D C -1.958 174.496 176.300 0.255 0.000 1.150 1531 D CA -0.278 53.837 54.000 0.192 0.000 0.831 1531 D CB 1.102 41.933 40.800 0.051 0.000 0.981 1531 D HN -0.442 7.837 8.370 0.123 0.165 0.500 1532 I N -0.273 120.400 120.570 0.171 0.000 2.378 1532 I HA 0.130 4.408 4.170 0.179 0.000 0.291 1532 I C -2.186 173.975 176.117 0.074 0.000 0.992 1532 I CA -0.579 60.786 61.300 0.108 0.000 1.154 1532 I CB 2.225 40.191 38.000 -0.056 0.000 1.315 1532 I HN -0.411 7.712 8.210 0.123 0.161 0.448 1533 L N 5.488 126.769 121.223 0.095 0.000 2.287 1533 L HA 0.376 4.902 4.340 0.044 -0.160 0.287 1533 L C -0.719 176.140 176.870 -0.017 0.000 1.022 1533 L CA -1.130 53.727 54.840 0.030 0.000 0.814 1533 L CB 1.698 43.732 42.059 -0.042 0.000 1.217 1533 L HN 0.784 9.103 8.230 0.148 0.000 0.420 1534 L N 5.458 126.681 121.223 0.000 0.000 2.873 1534 L HA 0.222 4.526 4.340 -0.060 0.000 0.236 1534 L C -1.474 175.410 176.870 0.023 0.000 1.375 1534 L CA -1.240 53.591 54.840 -0.015 0.000 1.239 1534 L CB -1.221 40.821 42.059 -0.029 0.000 1.603 1534 L HN 0.344 8.498 8.230 0.046 0.103 0.430 1535 C N 0.630 119.869 119.300 -0.102 0.000 2.335 1535 C HA 0.262 4.652 4.460 -0.117 0.000 0.318 1535 C C -1.350 173.563 174.990 -0.129 0.000 1.150 1535 C CA -3.129 55.760 59.018 -0.214 0.000 1.466 1535 C CB 0.477 27.791 27.740 -0.710 0.000 2.024 1535 C HN -0.513 7.579 8.230 -0.115 0.069 0.429 1536 D N 5.626 125.980 120.400 -0.076 0.000 2.425 1536 D HA 0.376 4.990 4.640 -0.043 0.000 0.240 1536 D C -1.579 174.656 176.300 -0.110 0.000 1.080 1536 D CA -2.929 51.033 54.000 -0.063 0.000 0.836 1536 D CB 2.065 42.842 40.800 -0.038 0.000 1.125 1536 D HN -0.048 8.288 8.370 -0.056 0.000 0.525 1537 P HA 0.115 4.513 4.420 -0.035 0.000 0.277 1537 P C -1.122 176.164 177.300 -0.024 0.000 1.271 1537 P CA -0.802 62.214 63.100 -0.140 0.000 0.795 1537 P CB 1.822 33.207 31.700 -0.525 0.000 1.101 1538 I N 0.034 120.723 120.570 0.199 0.000 2.710 1538 I HA -0.187 3.919 4.170 -0.107 0.000 0.286 1538 I C -1.673 174.564 176.117 0.201 0.000 1.181 1538 I CA -0.234 61.110 61.300 0.074 0.000 1.430 1538 I CB -0.634 37.356 38.000 -0.017 0.000 1.367 1538 I HN -0.103 8.359 8.210 0.420 0.000 0.577 1539 P HA -0.046 4.500 4.420 0.212 0.000 0.274 1539 P C -0.647 176.753 177.300 0.167 0.000 1.231 1539 P CA -0.721 62.456 63.100 0.127 0.000 0.790 1539 P CB 0.479 32.190 31.700 0.019 0.000 0.951 1540 L N 1.353 122.678 121.223 0.170 0.000 2.543 1540 L HA -0.490 3.804 4.340 -0.077 0.000 0.285 1540 L C 0.534 177.410 176.870 0.011 0.000 1.236 1540 L CA 1.596 56.438 54.840 0.003 0.000 0.871 1540 L CB -0.435 41.612 42.059 -0.021 0.000 1.121 1540 L HN 0.346 8.743 8.230 0.278 0.000 0.501 1541 D N -4.708 115.677 120.400 -0.025 0.000 3.028 1541 D HA -0.336 4.336 4.640 -0.035 -0.053 0.207 1541 D C -0.829 175.456 176.300 -0.025 0.000 1.100 1541 D CA 2.459 56.446 54.000 -0.023 0.000 0.995 1541 D CB -1.581 39.214 40.800 -0.009 0.000 1.108 1541 D HN 0.558 8.899 8.370 -0.048 0.000 0.421 1542 T N 1.752 116.288 114.554 -0.030 0.000 2.884 1542 T HA -0.053 4.268 4.350 -0.047 0.000 0.298 1542 T C -1.084 173.569 174.700 -0.077 0.000 0.998 1542 T CA 1.082 63.149 62.100 -0.054 0.000 1.124 1542 T CB 0.912 69.734 68.868 -0.076 0.000 0.931 1542 T HN -0.703 7.453 8.240 -0.021 0.072 0.531 1543 E N 7.309 127.460 120.200 -0.082 0.000 2.259 1543 E HA 0.347 4.829 4.350 -0.089 -0.185 0.281 1543 E C -0.505 176.023 176.600 -0.119 0.000 1.037 1543 E CA -0.382 55.964 56.400 -0.091 0.000 0.854 1543 E CB 0.885 30.541 29.700 -0.074 0.000 1.051 1543 E HN 0.328 8.642 8.360 -0.075 0.000 0.409 1544 V N -0.015 119.819 119.914 -0.134 0.000 3.164 1544 V HA 0.530 4.648 4.120 -0.157 -0.093 0.313 1544 V C -1.620 174.402 176.094 -0.121 0.000 1.188 1544 V CA -3.338 58.865 62.300 -0.162 0.000 1.058 1544 V CB 3.365 35.040 31.823 -0.248 0.000 1.110 1544 V HN 0.675 8.786 8.190 -0.130 0.000 0.453 1545 T N 1.636 116.132 114.554 -0.098 0.000 2.772 1545 T HA 0.417 4.937 4.350 0.005 -0.168 0.288 1545 T C -1.377 173.258 174.700 -0.108 0.000 0.994 1545 T CA -0.469 61.627 62.100 -0.006 0.000 0.951 1545 T CB 1.093 70.080 68.868 0.198 0.000 0.933 1545 T HN 0.268 8.438 8.240 -0.116 0.000 0.447 1546 A N 7.974 130.696 122.820 -0.163 0.000 2.301 1546 A HA 0.750 4.937 4.320 -0.479 -0.153 0.312 1546 A C -2.295 175.233 177.584 -0.094 0.000 1.182 1546 A CA -2.087 49.717 52.037 -0.389 0.000 0.826 1546 A CB 2.312 20.826 19.000 -0.810 0.000 1.134 1546 A HN 0.826 8.910 8.150 -0.110 0.000 0.501 1547 L N 3.107 124.312 121.223 -0.030 0.000 2.287 1547 L HA 0.378 4.941 4.340 0.164 -0.125 0.287 1547 L C -0.235 176.804 176.870 0.283 0.000 1.022 1547 L CA -1.108 53.812 54.840 0.133 0.000 0.814 1547 L CB 0.878 42.971 42.059 0.057 0.000 1.217 1547 L HN -0.081 8.092 8.230 -0.094 0.000 0.420 1548 S N 3.414 119.287 115.700 0.288 0.000 2.617 1548 S HA 0.285 4.935 4.470 0.301 0.000 0.269 1548 S C 1.279 176.001 174.600 0.204 0.000 1.292 1548 S CA -1.063 57.305 58.200 0.280 0.000 1.010 1548 S CB 2.111 65.489 63.200 0.297 0.000 0.944 1548 S HN 0.281 8.765 8.310 0.290 0.000 0.536 1549 E N 1.375 121.675 120.200 0.167 0.000 2.274 1549 E HA -0.117 4.295 4.350 0.104 0.000 0.194 1549 E C -0.345 176.318 176.600 0.105 0.000 0.996 1549 E CA 1.442 57.912 56.400 0.117 0.000 0.840 1549 E CB -0.312 29.443 29.700 0.093 0.000 0.772 1549 E HN 0.553 9.010 8.360 0.161 0.000 0.491 1550 D N -1.481 119.016 120.400 0.161 0.000 2.434 1550 D HA 0.031 4.723 4.640 0.086 0.000 0.232 1550 D C -0.609 175.709 176.300 0.030 0.000 1.166 1550 D CA -1.007 53.082 54.000 0.148 0.000 0.830 1550 D CB -1.363 39.589 40.800 0.253 0.000 0.960 1550 D HN -0.651 7.794 8.370 0.212 0.052 0.497 1551 E N -7.569 112.641 120.200 0.016 0.000 2.694 1551 E HA -0.532 3.794 4.350 -0.039 0.000 0.272 1551 E C -1.574 174.942 176.600 -0.140 0.000 1.040 1551 E CA 1.407 57.754 56.400 -0.087 0.000 0.809 1551 E CB -2.701 26.907 29.700 -0.153 0.000 1.389 1551 E HN -0.418 7.895 8.360 0.068 0.088 0.413 1552 Y N -2.491 117.914 120.300 0.175 0.000 2.453 1552 Y HA 0.125 4.846 4.550 0.285 0.000 0.326 1552 Y C -1.325 174.801 175.900 0.376 0.000 1.186 1552 Y CA -0.623 57.621 58.100 0.240 0.000 1.200 1552 Y CB 2.155 40.686 38.460 0.118 0.000 1.247 1552 Y HN -0.534 7.898 8.280 0.302 0.030 0.482 1553 F N -3.625 116.421 119.950 0.161 0.000 2.643 1553 F HA 1.021 5.747 4.527 0.085 -0.148 0.314 1553 F C -1.157 174.688 175.800 0.074 0.000 1.096 1553 F CA -2.250 55.799 58.000 0.083 0.000 0.953 1553 F CB 3.768 42.779 39.000 0.017 0.000 1.345 1553 F HN -0.132 8.363 8.300 0.324 0.000 0.468 1554 S N -0.807 114.946 115.700 0.090 0.000 2.567 1554 S HA 0.131 4.544 4.470 -0.095 0.000 0.270 1554 S C -1.844 172.752 174.600 -0.006 0.000 1.152 1554 S CA -1.045 57.143 58.200 -0.020 0.000 0.835 1554 S CB 2.029 65.228 63.200 -0.002 0.000 1.115 1554 S HN 0.110 8.523 8.310 0.172 0.000 0.459 1555 A N 0.575 123.376 122.820 -0.031 0.000 2.322 1555 A HA 0.807 5.312 4.320 -0.037 -0.208 0.269 1555 A C 0.080 177.630 177.584 -0.057 0.000 1.094 1555 A CA -0.672 51.341 52.037 -0.041 0.000 0.807 1555 A CB 0.911 19.887 19.000 -0.041 0.000 1.047 1555 A HN 0.183 8.307 8.150 -0.044 0.000 0.487 1556 G N -1.915 106.838 108.800 -0.078 0.000 2.576 1556 G HA2 0.483 4.502 3.960 -0.061 0.000 0.290 1556 G HA3 0.483 4.387 3.960 -0.093 0.000 0.290 1556 G C -3.070 171.775 174.900 -0.091 0.000 1.442 1556 G CA 0.024 45.076 45.100 -0.081 0.000 0.792 1556 G HN -0.346 7.892 8.290 -0.086 0.000 0.491 1557 V N 0.242 120.109 119.914 -0.078 0.000 2.459 1557 V HA 0.531 4.924 4.120 -0.082 -0.322 0.295 1557 V C -0.142 175.904 176.094 -0.081 0.000 1.029 1557 V CA -1.884 60.370 62.300 -0.077 0.000 0.874 1557 V CB 3.271 35.057 31.823 -0.060 0.000 0.985 1557 V HN 0.008 8.157 8.190 -0.069 0.000 0.438 1558 V N 8.719 128.586 119.914 -0.079 0.000 2.485 1558 V HA -0.206 4.016 4.120 -0.050 -0.131 0.287 1558 V C -0.193 175.847 176.094 -0.091 0.000 1.022 1558 V CA 1.865 64.128 62.300 -0.061 0.000 1.067 1558 V CB -0.173 31.646 31.823 -0.006 0.000 0.967 1558 V HN 0.527 8.670 8.190 -0.079 0.000 0.479 1559 K N 5.491 125.818 120.400 -0.122 0.000 2.412 1559 K HA 0.339 4.591 4.320 -0.113 0.000 0.202 1559 K C -0.674 175.823 176.600 -0.172 0.000 1.102 1559 K CA -1.386 54.820 56.287 -0.135 0.000 1.027 1559 K CB 2.003 34.426 32.500 -0.128 0.000 0.931 1559 K HN 0.642 8.817 8.250 -0.125 0.000 0.557 1560 G N -2.513 106.156 108.800 -0.218 0.000 2.673 1560 G HA2 0.102 3.946 3.960 -0.194 0.000 0.292 1560 G HA3 0.102 4.000 3.960 -0.104 0.000 0.292 1560 G C -3.030 171.782 174.900 -0.147 0.000 1.450 1560 G CA 0.454 45.446 45.100 -0.181 0.000 0.837 1560 G HN -0.799 7.372 8.290 -0.199 0.000 0.505 1561 H N -0.193 118.973 119.070 0.161 0.000 2.690 1561 H HA 0.965 5.774 4.556 0.120 -0.180 0.368 1561 H C -0.361 175.092 175.328 0.208 0.000 1.150 1561 H CA -1.312 54.815 56.048 0.130 0.000 1.174 1561 H CB 3.818 33.580 29.762 -0.000 0.000 1.684 1561 H HN 0.230 8.543 8.280 0.055 0.000 0.538 1562 R N 1.750 122.454 120.500 0.339 0.000 2.548 1562 R HA 0.254 4.690 4.340 0.161 0.000 0.280 1562 R C -2.102 174.291 176.300 0.154 0.000 1.061 1562 R CA -0.988 55.228 56.100 0.193 0.000 0.915 1562 R CB 2.760 33.084 30.300 0.041 0.000 1.210 1562 R HN 0.615 9.085 8.270 0.333 0.000 0.442 1563 K N 5.816 126.268 120.400 0.087 0.000 2.211 1563 K HA 0.661 5.217 4.320 0.085 -0.185 0.275 1563 K C -0.580 176.064 176.600 0.073 0.000 1.024 1563 K CA -1.267 55.063 56.287 0.072 0.000 0.887 1563 K CB 0.762 33.276 32.500 0.025 0.000 1.084 1563 K HN 0.356 8.646 8.250 0.067 0.000 0.463 1564 E N 5.066 125.348 120.200 0.137 0.000 2.278 1564 E HA 0.160 4.527 4.350 0.029 0.000 0.272 1564 E C -0.703 175.957 176.600 0.100 0.000 0.890 1564 E CA -0.193 56.257 56.400 0.084 0.000 0.770 1564 E CB 1.740 31.448 29.700 0.014 0.000 1.212 1564 E HN 0.097 8.578 8.360 0.203 0.000 0.415 1565 S N 5.400 121.125 115.700 0.042 0.000 3.614 1565 S HA -0.310 4.171 4.470 0.018 0.000 0.360 1565 S C -0.397 174.220 174.600 0.028 0.000 1.023 1565 S CA 0.570 58.789 58.200 0.032 0.000 1.114 1565 S CB -1.102 62.120 63.200 0.037 0.000 0.907 1565 S HN 0.813 9.136 8.310 0.023 0.000 0.470 1566 G N -3.155 105.656 108.800 0.019 0.000 2.184 1566 G HA2 -0.388 3.570 3.960 -0.004 0.000 0.264 1566 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.264 1566 G C -1.017 173.870 174.900 -0.021 0.000 0.975 1566 G CA 0.049 45.149 45.100 -0.001 0.000 0.642 1566 G HN 0.008 8.298 8.290 0.021 0.012 0.536 1567 E N 0.169 120.359 120.200 -0.018 0.000 2.202 1567 E HA 0.222 4.496 4.350 -0.127 0.000 0.272 1567 E C -1.599 174.873 176.600 -0.213 0.000 0.951 1567 E CA -1.516 54.808 56.400 -0.127 0.000 0.813 1567 E CB 2.072 31.675 29.700 -0.162 0.000 1.151 1567 E HN -0.406 7.791 8.360 0.029 0.180 0.398 1568 L N 3.022 124.052 121.223 -0.322 0.000 2.307 1568 L HA 0.505 5.015 4.340 -0.169 -0.271 0.282 1568 L C -1.719 174.848 176.870 -0.506 0.000 1.051 1568 L CA -0.521 54.137 54.840 -0.303 0.000 0.804 1568 L CB 1.949 43.852 42.059 -0.260 0.000 1.197 1568 L HN 0.271 8.324 8.230 -0.295 0.000 0.431 1569 Y N 1.993 122.274 120.300 -0.031 0.000 2.462 1569 Y HA 0.458 5.286 4.550 0.217 -0.148 0.346 1569 Y C -0.793 175.255 175.900 0.247 0.000 0.976 1569 Y CA -2.198 55.998 58.100 0.159 0.000 1.044 1569 Y CB 3.492 42.035 38.460 0.139 0.000 1.230 1569 Y HN 0.467 8.812 8.280 0.108 0.000 0.455 1570 Y N 0.661 121.325 120.300 0.607 0.000 2.360 1570 Y HA 0.413 5.360 4.550 0.392 -0.161 0.337 1570 Y C -0.579 175.478 175.900 0.262 0.000 1.039 1570 Y CA -1.441 56.908 58.100 0.416 0.000 1.109 1570 Y CB 2.936 41.553 38.460 0.262 0.000 1.201 1570 Y HN 0.619 9.374 8.280 0.793 0.000 0.458 1571 S N 2.130 117.797 115.700 -0.054 0.000 2.422 1571 S HA 0.470 4.640 4.470 -0.761 -0.156 0.298 1571 S C -1.069 173.412 174.600 -0.197 0.000 1.118 1571 S CA -1.390 56.442 58.200 -0.615 0.000 1.083 1571 S CB 0.522 63.026 63.200 -1.160 0.000 0.971 1571 S HN 0.272 8.471 8.310 -0.006 0.107 0.478 1572 I N 7.437 127.965 120.570 -0.070 0.000 2.465 1572 I HA 0.567 4.885 4.170 -0.067 -0.188 0.291 1572 I C -1.843 174.255 176.117 -0.032 0.000 1.014 1572 I CA -1.231 60.052 61.300 -0.029 0.000 1.093 1572 I CB 3.817 41.800 38.000 -0.030 0.000 1.267 1572 I HN 0.574 8.769 8.210 -0.024 0.000 0.431 1573 E N 7.753 127.918 120.200 -0.059 0.000 2.175 1573 E HA 0.532 5.073 4.350 -0.050 -0.221 0.278 1573 E C -1.687 174.893 176.600 -0.033 0.000 0.969 1573 E CA -1.556 54.813 56.400 -0.051 0.000 0.796 1573 E CB 2.745 32.406 29.700 -0.064 0.000 1.104 1573 E HN 0.355 8.673 8.360 -0.069 0.000 0.395 1574 K N 6.274 126.663 120.400 -0.018 0.000 2.565 1574 K HA 0.256 4.561 4.320 -0.024 0.000 0.249 1574 K C -0.747 175.843 176.600 -0.016 0.000 0.958 1574 K CA -0.359 55.919 56.287 -0.015 0.000 0.806 1574 K CB 1.989 34.491 32.500 0.003 0.000 1.194 1574 K HN 0.425 8.666 8.250 -0.015 0.000 0.434 1575 E N 5.034 125.221 120.200 -0.021 0.000 2.269 1575 E HA -0.293 4.044 4.350 -0.021 0.000 0.223 1575 E C 0.092 176.680 176.600 -0.020 0.000 1.244 1575 E CA 1.050 57.438 56.400 -0.020 0.000 0.713 1575 E CB -1.502 28.187 29.700 -0.018 0.000 1.178 1575 E HN 0.886 9.231 8.360 -0.024 0.000 0.370 1576 G N -5.229 103.557 108.800 -0.024 0.000 2.184 1576 G HA2 -0.457 3.487 3.960 -0.028 0.000 0.264 1576 G HA3 -0.457 3.490 3.960 -0.022 0.000 0.264 1576 G C -0.734 174.150 174.900 -0.027 0.000 0.975 1576 G CA 0.058 45.142 45.100 -0.025 0.000 0.642 1576 G HN 0.376 8.639 8.290 -0.027 0.011 0.536 1577 Q N 0.679 120.463 119.800 -0.026 0.000 2.316 1577 Q HA 0.190 4.511 4.340 -0.030 0.000 0.264 1577 Q C -1.257 174.718 176.000 -0.041 0.000 0.987 1577 Q CA -1.502 54.284 55.803 -0.028 0.000 0.852 1577 Q CB 2.114 30.842 28.738 -0.016 0.000 1.287 1577 Q HN -0.563 7.623 8.270 -0.023 0.070 0.448 1578 R N 4.032 124.491 120.500 -0.069 0.000 2.428 1578 R HA 0.708 5.383 4.340 -0.107 -0.399 0.294 1578 R C -0.242 175.973 176.300 -0.141 0.000 1.000 1578 R CA -1.053 54.970 56.100 -0.127 0.000 0.960 1578 R CB 1.982 32.159 30.300 -0.205 0.000 1.076 1578 R HN 0.381 8.611 8.270 -0.066 0.000 0.475 1579 K N 2.191 122.499 120.400 -0.154 0.000 2.498 1579 K HA 0.259 4.493 4.320 -0.145 0.000 0.254 1579 K C -1.952 174.519 176.600 -0.215 0.000 0.933 1579 K CA -1.788 54.410 56.287 -0.148 0.000 0.806 1579 K CB 3.770 36.235 32.500 -0.058 0.000 1.301 1579 K HN 0.308 8.485 8.250 -0.122 0.000 0.432 1580 W N 1.247 122.500 121.300 -0.078 0.000 2.261 1580 W HA 0.364 5.333 4.660 0.164 -0.210 0.323 1580 W C -0.342 176.068 176.519 -0.182 0.000 1.243 1580 W CA -0.308 57.041 57.345 0.006 0.000 1.210 1580 W CB 1.098 30.552 29.460 -0.009 0.000 1.149 1580 W HN 0.067 8.298 8.180 0.085 0.000 0.562 1581 Y N 0.601 121.200 120.300 0.499 0.000 2.457 1581 Y HA 0.234 4.981 4.550 0.329 0.000 0.343 1581 Y C -0.634 175.539 175.900 0.456 0.000 0.994 1581 Y CA -1.479 56.852 58.100 0.386 0.000 1.031 1581 Y CB 3.873 42.490 38.460 0.262 0.000 1.246 1581 Y HN 0.432 9.190 8.280 0.796 0.000 0.449 1582 K N 2.135 122.813 120.400 0.464 0.000 2.286 1582 K HA -0.017 4.339 4.320 0.060 0.000 0.256 1582 K C 1.443 178.202 176.600 0.265 0.000 0.999 1582 K CA 0.803 57.226 56.287 0.227 0.000 0.908 1582 K CB 0.651 33.228 32.500 0.129 0.000 0.981 1582 K HN 0.354 8.845 8.250 0.402 0.000 0.500 1583 R N 1.632 122.214 120.500 0.136 0.000 2.103 1583 R HA -0.391 4.233 4.340 0.473 0.000 0.242 1583 R C 1.622 178.034 176.300 0.186 0.000 1.142 1583 R CA 3.798 60.043 56.100 0.242 0.000 0.960 1583 R CB -0.092 30.271 30.300 0.106 0.000 0.858 1583 R HN 0.009 8.258 8.270 -0.036 0.000 0.439 1584 M N -3.649 116.026 119.600 0.125 0.000 2.659 1584 M HA -0.012 4.535 4.480 0.112 0.000 0.243 1584 M C -0.290 176.072 176.300 0.103 0.000 1.111 1584 M CA 1.427 56.791 55.300 0.106 0.000 1.070 1584 M CB -0.237 32.409 32.600 0.078 0.000 1.525 1584 M HN -0.046 8.304 8.290 0.100 0.000 0.517 1585 A N -1.684 121.221 122.820 0.142 0.000 2.465 1585 A HA 0.304 4.683 4.320 0.099 0.000 0.255 1585 A C -1.604 175.990 177.584 0.017 0.000 1.274 1585 A CA -0.307 51.813 52.037 0.138 0.000 0.920 1585 A CB 1.227 20.418 19.000 0.318 0.000 1.033 1585 A HN -0.320 7.763 8.150 0.182 0.176 0.516 1586 V N -0.204 119.690 119.914 -0.034 0.000 2.443 1586 V HA 0.713 4.853 4.120 -0.248 -0.169 0.293 1586 V C -1.072 174.917 176.094 -0.174 0.000 1.021 1586 V CA -0.734 61.442 62.300 -0.206 0.000 0.848 1586 V CB 1.942 33.498 31.823 -0.444 0.000 0.998 1586 V HN -0.810 7.279 8.190 0.022 0.114 0.424 1587 I N 1.298 121.759 120.570 -0.182 0.000 3.239 1587 I HA 0.598 4.652 4.170 -0.194 0.000 0.314 1587 I C -2.568 173.468 176.117 -0.135 0.000 1.126 1587 I CA -2.898 58.282 61.300 -0.200 0.000 0.973 1587 I CB 4.182 41.966 38.000 -0.361 0.000 1.252 1587 I HN 0.505 8.611 8.210 -0.174 0.000 0.463 1588 L N -0.749 120.414 121.223 -0.100 0.000 2.341 1588 L HA 0.704 5.121 4.340 -0.121 -0.150 0.278 1588 L C 0.236 177.034 176.870 -0.119 0.000 1.005 1588 L CA -1.998 52.783 54.840 -0.099 0.000 0.818 1588 L CB 2.601 44.546 42.059 -0.189 0.000 1.259 1588 L HN -0.136 8.026 8.230 -0.113 0.000 0.418 1589 S N 2.877 118.379 115.700 -0.331 0.000 2.606 1589 S HA 0.045 3.303 4.470 -2.020 0.000 0.257 1589 S C 0.781 175.172 174.600 -0.348 0.000 1.327 1589 S CA -0.725 56.952 58.200 -0.872 0.000 0.984 1589 S CB 1.673 64.531 63.200 -0.570 0.000 0.941 1589 S HN 0.078 8.563 8.310 -0.223 -0.309 0.576 1590 L N 0.869 121.900 121.223 -0.321 0.000 2.042 1590 L HA -0.245 4.358 4.340 0.262 -0.106 0.210 1590 L C 1.809 178.693 176.870 0.023 0.000 1.076 1590 L CA 3.737 58.591 54.840 0.022 0.000 0.749 1590 L CB -0.200 41.847 42.059 -0.021 0.000 0.893 1590 L HN 0.601 8.524 8.230 -0.512 0.000 0.432 1591 E N -2.303 117.854 120.200 -0.072 0.000 2.051 1591 E HA -0.470 3.859 4.350 -0.037 0.000 0.192 1591 E C 2.315 178.857 176.600 -0.097 0.000 0.991 1591 E CA 3.239 59.601 56.400 -0.064 0.000 0.799 1591 E CB -0.430 29.231 29.700 -0.066 0.000 0.748 1591 E HN -0.037 8.254 8.360 -0.115 0.000 0.449 1592 Q N -1.959 117.756 119.800 -0.141 0.000 2.079 1592 Q HA -0.266 3.989 4.340 -0.142 0.000 0.200 1592 Q C 2.817 178.652 176.000 -0.276 0.000 0.974 1592 Q CA 2.479 58.177 55.803 -0.175 0.000 0.840 1592 Q CB 0.102 28.736 28.738 -0.173 0.000 0.898 1592 Q HN -0.581 7.596 8.270 -0.154 0.000 0.430 1593 G N -2.833 105.704 108.800 -0.438 0.000 2.403 1593 G HA2 -0.211 3.209 3.960 -0.899 0.000 0.216 1593 G HA3 -0.211 2.523 3.960 -2.042 0.000 0.216 1593 G C 1.486 175.982 174.900 -0.674 0.000 1.154 1593 G CA 0.896 45.375 45.100 -1.035 0.000 0.784 1593 G HN -0.053 8.040 8.290 -0.328 0.000 0.538 1594 N N 1.835 120.385 118.700 -0.250 0.000 2.149 1594 N HA -0.256 4.486 4.740 0.003 0.000 0.188 1594 N C 2.429 177.893 175.510 -0.076 0.000 1.019 1594 N CA 2.811 55.827 53.050 -0.057 0.000 0.857 1594 N CB -0.476 38.026 38.487 0.026 0.000 0.997 1594 N HN -0.191 8.102 8.380 -0.144 0.000 0.426 1595 R N -1.162 119.278 120.500 -0.101 0.000 2.159 1595 R HA -0.232 4.083 4.340 -0.040 0.000 0.237 1595 R C 1.592 177.869 176.300 -0.038 0.000 1.131 1595 R CA 2.659 58.721 56.100 -0.063 0.000 0.982 1595 R CB -0.089 30.171 30.300 -0.068 0.000 0.868 1595 R HN -0.654 7.526 8.270 -0.127 0.013 0.453 1596 L N -4.734 116.447 121.223 -0.070 0.000 2.592 1596 L HA 0.214 4.635 4.340 0.135 0.000 0.227 1596 L C 0.540 177.459 176.870 0.082 0.000 1.127 1596 L CA -0.052 54.816 54.840 0.047 0.000 0.884 1596 L CB -0.126 41.907 42.059 -0.043 0.000 1.065 1596 L HN -0.616 7.377 8.230 -0.152 0.145 0.457 1597 R N -0.654 119.848 120.500 0.003 0.000 2.092 1597 R HA -0.349 4.017 4.340 0.044 0.000 0.231 1597 R C 2.357 178.669 176.300 0.020 0.000 1.119 1597 R CA 3.979 60.096 56.100 0.029 0.000 0.970 1597 R CB -0.278 30.046 30.300 0.041 0.000 0.864 1597 R HN -0.682 7.523 8.270 -0.027 0.049 0.440 1598 E N -0.913 119.287 120.200 -0.001 0.000 2.077 1598 E HA -0.271 4.069 4.350 -0.017 0.000 0.193 1598 E C 1.682 178.235 176.600 -0.078 0.000 0.989 1598 E CA 2.685 59.069 56.400 -0.027 0.000 0.800 1598 E CB -0.683 29.000 29.700 -0.028 0.000 0.746 1598 E HN -0.089 8.271 8.360 0.001 0.000 0.452 1599 Q N -2.999 116.719 119.800 -0.136 0.000 2.250 1599 Q HA -0.124 4.037 4.340 -0.299 0.000 0.200 1599 Q C 1.092 176.793 176.000 -0.498 0.000 0.941 1599 Q CA 1.746 57.326 55.803 -0.371 0.000 0.872 1599 Q CB 0.901 29.306 28.738 -0.555 0.000 0.965 1599 Q HN -0.231 7.989 8.270 -0.082 0.000 0.480 1600 Y N -4.724 115.549 120.300 -0.044 0.000 2.471 1600 Y HA 0.202 4.721 4.550 -0.050 0.000 0.249 1600 Y C -0.458 175.401 175.900 -0.068 0.000 1.116 1600 Y CA -0.506 57.561 58.100 -0.056 0.000 1.240 1600 Y CB 2.359 40.781 38.460 -0.064 0.000 1.251 1600 Y HN -0.201 8.098 8.280 0.031 0.000 0.527 1601 G N -0.889 107.948 108.800 0.062 0.000 2.483 1601 G HA2 0.066 4.271 3.960 0.039 0.000 0.248 1601 G HA3 0.066 4.119 3.960 0.040 -0.069 0.248 1601 G C -0.802 174.080 174.900 -0.030 0.000 1.248 1601 G CA -0.129 44.988 45.100 0.029 0.000 0.838 1601 G HN -0.198 8.020 8.290 0.043 0.097 0.566 1602 L N 1.876 123.053 121.223 -0.077 0.000 2.851 1602 L HA 0.156 4.402 4.340 -0.157 0.000 0.237 1602 L C 0.596 177.463 176.870 -0.004 0.000 1.257 1602 L CA -0.912 53.839 54.840 -0.149 0.000 1.061 1602 L CB -0.741 41.071 42.059 -0.411 0.000 1.372 1602 L HN -0.076 8.116 8.230 -0.064 0.000 0.493 1603 G N 0.000 108.820 108.800 0.034 0.000 5.446 1603 G HA2 0.000 nan 3.960 nan 0.000 0.244 1603 G HA3 0.000 3.996 3.960 0.060 0.000 0.244 1603 G CA 0.000 45.141 45.100 0.068 0.000 0.502 1603 G HN 0.000 8.224 8.290 0.024 0.080 0.925