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 2kbb_1_A DATA FIRST_RESID 1649 DATA SEQUENCE GIDPFTAPGQ LECETAIAAL NSCLRDLDQA SLAAVSQQLA PREGISQEAL DATA SEQUENCE HTQMLTAVQE ISHLIEPLAS AARAEASQLG HKVSQMAQYF EPLTLAAVGA DATA SEQUENCE ASKTLSHPQQ MALLDQTKTL AESALQLLYT AKEAGGNPKQ AAHTQEALEE DATA SEQUENCE AVQMMTEAVE DLTTTLNEAA SAAG 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 1649 G HA2 0.000 nan 3.960 nan 0.000 0.244 1649 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 1649 G C 0.000 174.901 174.900 0.001 0.000 0.946 1649 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 1650 I N 0.767 121.342 120.570 0.009 0.000 2.562 1650 I HA 0.191 4.366 4.170 0.009 0.000 0.301 1650 I C -2.212 173.926 176.117 0.036 0.000 1.003 1650 I CA -1.705 59.602 61.300 0.012 0.000 1.127 1650 I CB 3.456 41.456 38.000 -0.000 0.000 1.304 1650 I HN 0.013 8.614 8.210 0.009 -0.386 0.446 1651 D N 5.870 126.292 120.400 0.037 0.000 2.467 1651 D HA 0.269 4.988 4.640 0.132 0.000 0.220 1651 D C -0.883 175.432 176.300 0.025 0.000 1.103 1651 D CA -3.617 50.427 54.000 0.074 0.000 0.886 1651 D CB 0.647 41.491 40.800 0.073 0.000 1.025 1651 D HN 0.110 8.492 8.370 0.021 0.000 0.514 1652 P HA 0.120 4.447 4.420 -0.155 0.000 0.261 1652 P C -1.391 175.681 177.300 -0.380 0.000 1.268 1652 P CA 0.033 62.991 63.100 -0.238 0.000 0.833 1652 P CB 0.292 31.772 31.700 -0.367 0.000 1.231 1653 F N -0.747 119.207 119.950 0.008 0.000 2.446 1653 F HA 0.278 4.812 4.527 0.012 0.000 0.234 1653 F C 0.873 176.678 175.800 0.008 0.000 1.067 1653 F CA 0.924 58.930 58.000 0.010 0.000 0.986 1653 F CB 1.108 40.115 39.000 0.012 0.000 1.145 1653 F HN -0.548 7.964 8.300 0.181 -0.103 0.661 1654 T N -2.067 112.627 114.554 0.234 0.000 5.337 1654 T HA -0.064 4.339 4.350 0.088 0.000 0.331 1654 T C -2.058 172.695 174.700 0.088 0.000 0.900 1654 T CA 0.338 62.510 62.100 0.120 0.000 0.436 1654 T CB -0.330 68.600 68.868 0.103 0.000 0.540 1654 T HN -0.076 8.438 8.240 0.293 -0.099 0.262 1655 A N 0.792 123.666 122.820 0.090 0.000 2.606 1655 A HA 0.506 4.851 4.320 0.042 0.000 0.293 1655 A C -3.215 174.397 177.584 0.046 0.000 1.082 1655 A CA -1.576 50.492 52.037 0.052 0.000 0.685 1655 A CB 1.007 20.025 19.000 0.031 0.000 1.284 1655 A HN -0.710 7.740 8.150 0.121 -0.227 0.408 1656 P HA 0.063 4.502 4.420 0.032 0.000 0.271 1656 P C -0.393 176.921 177.300 0.024 0.000 1.216 1656 P CA 0.669 63.787 63.100 0.030 0.000 0.776 1656 P CB 0.866 32.585 31.700 0.033 0.000 0.881 1657 G N 0.397 109.210 108.800 0.022 0.000 2.376 1657 G HA2 -0.359 3.608 3.960 0.011 0.000 0.208 1657 G HA3 -0.359 3.602 3.960 0.001 0.000 0.208 1657 G C 1.636 176.536 174.900 0.000 0.000 1.032 1657 G CA 0.621 45.726 45.100 0.008 0.000 0.641 1657 G HN 0.040 8.344 8.290 0.023 0.000 0.503 1658 Q N 2.350 122.161 119.800 0.019 0.000 2.112 1658 Q HA -0.352 4.005 4.340 0.029 0.000 0.206 1658 Q C 1.823 177.848 176.000 0.040 0.000 0.987 1658 Q CA 3.036 58.871 55.803 0.053 0.000 0.858 1658 Q CB -0.342 28.484 28.738 0.147 0.000 0.905 1658 Q HN -0.347 7.866 8.270 0.025 0.073 0.420 1659 L N -1.337 119.903 121.223 0.029 0.000 1.976 1659 L HA -0.374 3.973 4.340 0.013 0.000 0.209 1659 L C 1.105 177.968 176.870 -0.013 0.000 1.071 1659 L CA 4.069 58.914 54.840 0.009 0.000 0.746 1659 L CB -0.573 41.491 42.059 0.007 0.000 0.890 1659 L HN 0.209 8.459 8.230 0.034 -0.000 0.432 1660 E N -1.121 119.069 120.200 -0.016 0.000 2.118 1660 E HA -0.349 3.978 4.350 -0.038 0.000 0.195 1660 E C 2.392 178.964 176.600 -0.047 0.000 0.992 1660 E CA 3.017 59.398 56.400 -0.032 0.000 0.804 1660 E CB -1.305 28.380 29.700 -0.026 0.000 0.741 1660 E HN -0.068 8.228 8.360 -0.006 0.061 0.458 1661 C N -1.201 118.071 119.300 -0.047 0.000 2.446 1661 C HA -0.382 4.030 4.460 -0.080 0.000 0.277 1661 C C 1.620 176.544 174.990 -0.110 0.000 1.275 1661 C CA 5.570 64.542 59.018 -0.076 0.000 1.727 1661 C CB -0.434 27.263 27.740 -0.071 0.000 2.010 1661 C HN 0.572 8.768 8.230 -0.032 0.015 0.486 1662 E N -0.282 119.868 120.200 -0.083 0.000 2.152 1662 E HA -0.281 3.970 4.350 -0.165 0.000 0.192 1662 E C 1.963 178.507 176.600 -0.093 0.000 0.983 1662 E CA 3.204 59.544 56.400 -0.101 0.000 0.818 1662 E CB -0.047 29.626 29.700 -0.045 0.000 0.758 1662 E HN -0.553 7.778 8.360 -0.049 0.000 0.467 1663 T N -1.078 113.436 114.554 -0.067 0.000 2.821 1663 T HA -0.276 4.042 4.350 -0.052 0.000 0.267 1663 T C 1.826 176.484 174.700 -0.070 0.000 1.046 1663 T CA 3.693 65.758 62.100 -0.058 0.000 1.139 1663 T CB -0.345 68.496 68.868 -0.045 0.000 0.871 1663 T HN -0.040 8.166 8.240 -0.056 0.000 0.454 1664 A N 1.514 124.284 122.820 -0.083 0.000 1.929 1664 A HA -0.131 4.146 4.320 -0.071 0.000 0.216 1664 A C 1.832 179.346 177.584 -0.118 0.000 1.176 1664 A CA 2.659 54.643 52.037 -0.089 0.000 0.628 1664 A CB -0.787 18.161 19.000 -0.087 0.000 0.816 1664 A HN -0.255 7.846 8.150 -0.082 0.000 0.444 1665 I N -0.755 119.716 120.570 -0.165 0.000 2.264 1665 I HA -0.656 3.369 4.170 -0.241 0.000 0.248 1665 I C 1.613 177.642 176.117 -0.147 0.000 1.111 1665 I CA 4.252 65.413 61.300 -0.232 0.000 1.382 1665 I CB -0.212 37.545 38.000 -0.406 0.000 1.060 1665 I HN 0.280 8.210 8.210 -0.164 0.182 0.418 1666 A N -1.053 121.704 122.820 -0.105 0.000 1.933 1666 A HA -0.419 3.871 4.320 -0.051 0.000 0.218 1666 A C 1.428 178.986 177.584 -0.043 0.000 1.175 1666 A CA 3.015 55.016 52.037 -0.060 0.000 0.628 1666 A CB -1.034 17.939 19.000 -0.046 0.000 0.814 1666 A HN -0.410 7.667 8.150 -0.109 0.007 0.444 1667 A N -1.136 121.655 122.820 -0.048 0.000 1.872 1667 A HA -0.163 4.146 4.320 -0.018 0.000 0.214 1667 A C 1.875 179.444 177.584 -0.025 0.000 1.187 1667 A CA 2.549 54.569 52.037 -0.030 0.000 0.614 1667 A CB -0.515 18.468 19.000 -0.029 0.000 0.826 1667 A HN -0.713 7.294 8.150 -0.062 0.106 0.442 1668 L N -0.447 120.744 121.223 -0.054 0.000 2.083 1668 L HA -0.261 4.055 4.340 -0.040 0.000 0.209 1668 L C 1.838 178.688 176.870 -0.034 0.000 1.083 1668 L CA 2.264 57.064 54.840 -0.067 0.000 0.752 1668 L CB -0.470 41.500 42.059 -0.149 0.000 0.899 1668 L HN 0.476 8.549 8.230 -0.076 0.112 0.433 1669 N N -1.154 117.529 118.700 -0.028 0.000 2.166 1669 N HA -0.372 4.383 4.740 0.025 0.000 0.186 1669 N C 1.806 177.325 175.510 0.015 0.000 1.019 1669 N CA 3.291 56.346 53.050 0.008 0.000 0.856 1669 N CB -0.563 37.932 38.487 0.012 0.000 0.993 1669 N HN 0.374 8.605 8.380 -0.051 0.118 0.426 1670 S N -0.038 115.667 115.700 0.008 0.000 2.382 1670 S HA -0.185 4.295 4.470 0.016 0.000 0.228 1670 S C 2.055 176.670 174.600 0.025 0.000 1.027 1670 S CA 3.483 61.691 58.200 0.015 0.000 0.991 1670 S CB -0.207 62.998 63.200 0.009 0.000 0.823 1670 S HN -0.493 7.710 8.310 -0.004 0.104 0.469 1671 C N 1.015 120.334 119.300 0.032 0.000 2.446 1671 C HA -0.036 4.454 4.460 0.050 0.000 0.279 1671 C C 1.875 176.899 174.990 0.056 0.000 1.366 1671 C CA 1.973 61.023 59.018 0.053 0.000 1.763 1671 C CB -1.013 26.777 27.740 0.083 0.000 1.929 1671 C HN -0.328 7.819 8.230 0.023 0.097 0.509 1672 L N 2.184 123.434 121.223 0.045 0.000 2.017 1672 L HA -0.318 4.056 4.340 0.057 0.000 0.208 1672 L C 2.490 179.384 176.870 0.040 0.000 1.073 1672 L CA 3.124 57.992 54.840 0.046 0.000 0.745 1672 L CB -1.211 40.871 42.059 0.039 0.000 0.894 1672 L HN -0.060 8.087 8.230 0.034 0.103 0.432 1673 R N -1.789 118.732 120.500 0.034 0.000 2.081 1673 R HA -0.393 3.963 4.340 0.028 0.000 0.235 1673 R C 2.158 178.475 176.300 0.029 0.000 1.131 1673 R CA 3.920 60.038 56.100 0.029 0.000 0.960 1673 R CB -0.480 29.834 30.300 0.024 0.000 0.856 1673 R HN -0.420 7.869 8.270 0.032 0.000 0.436 1674 D N 0.177 120.597 120.400 0.032 0.000 2.097 1674 D HA -0.227 4.430 4.640 0.027 0.000 0.195 1674 D C 2.332 178.653 176.300 0.035 0.000 0.989 1674 D CA 3.412 57.431 54.000 0.032 0.000 0.827 1674 D CB 0.256 41.077 40.800 0.035 0.000 0.966 1674 D HN -0.483 7.835 8.370 0.034 0.072 0.456 1675 L N -1.558 119.691 121.223 0.044 0.000 2.046 1675 L HA -0.386 3.980 4.340 0.043 0.000 0.208 1675 L C 2.016 178.908 176.870 0.037 0.000 1.077 1675 L CA 3.163 58.031 54.840 0.046 0.000 0.747 1675 L CB -0.092 42.004 42.059 0.061 0.000 0.896 1675 L HN 0.098 8.251 8.230 0.049 0.107 0.432 1676 D N -1.389 119.032 120.400 0.035 0.000 2.117 1676 D HA -0.310 4.348 4.640 0.029 0.000 0.197 1676 D C 2.579 178.893 176.300 0.024 0.000 0.987 1676 D CA 3.441 57.458 54.000 0.028 0.000 0.829 1676 D CB 0.083 40.899 40.800 0.027 0.000 0.961 1676 D HN 0.053 8.445 8.370 0.037 0.000 0.460 1677 Q N -1.723 118.091 119.800 0.023 0.000 2.230 1677 Q HA -0.195 4.155 4.340 0.017 0.000 0.202 1677 Q C 2.400 178.411 176.000 0.019 0.000 0.963 1677 Q CA 2.169 57.984 55.803 0.019 0.000 0.866 1677 Q CB -0.273 28.476 28.738 0.018 0.000 0.931 1677 Q HN -0.125 8.160 8.270 0.025 0.000 0.452 1678 A N 0.836 123.670 122.820 0.022 0.000 1.877 1678 A HA -0.303 4.029 4.320 0.019 0.000 0.216 1678 A C 2.200 179.796 177.584 0.019 0.000 1.186 1678 A CA 3.320 55.370 52.037 0.021 0.000 0.620 1678 A CB -1.089 17.927 19.000 0.026 0.000 0.822 1678 A HN 0.040 8.084 8.150 0.025 0.121 0.443 1679 S N -1.185 114.528 115.700 0.021 0.000 2.382 1679 S HA -0.250 4.231 4.470 0.019 0.000 0.228 1679 S C 1.932 176.542 174.600 0.016 0.000 1.027 1679 S CA 3.283 61.494 58.200 0.019 0.000 0.991 1679 S CB 0.090 63.303 63.200 0.021 0.000 0.823 1679 S HN -0.357 7.968 8.310 0.024 0.000 0.469 1680 L N 0.634 121.866 121.223 0.015 0.000 2.109 1680 L HA -0.158 4.189 4.340 0.012 0.000 0.207 1680 L C 0.644 177.520 176.870 0.011 0.000 1.086 1680 L CA 2.293 57.141 54.840 0.013 0.000 0.760 1680 L CB -0.086 41.980 42.059 0.013 0.000 0.910 1680 L HN -0.806 7.333 8.230 0.017 0.101 0.437 1681 A N -2.384 120.443 122.820 0.012 0.000 1.872 1681 A HA -0.182 4.143 4.320 0.009 0.000 0.214 1681 A C 2.007 179.596 177.584 0.009 0.000 1.187 1681 A CA 2.595 54.638 52.037 0.010 0.000 0.614 1681 A CB -0.093 18.914 19.000 0.011 0.000 0.826 1681 A HN 0.275 8.244 8.150 0.014 0.189 0.442 1682 A N -1.767 121.059 122.820 0.011 0.000 2.019 1682 A HA -0.209 4.116 4.320 0.008 0.000 0.219 1682 A C 2.237 179.825 177.584 0.008 0.000 1.164 1682 A CA 2.647 54.690 52.037 0.009 0.000 0.644 1682 A CB -0.483 18.524 19.000 0.011 0.000 0.805 1682 A HN 0.507 8.552 8.150 0.013 0.113 0.449 1683 V N -2.877 117.042 119.914 0.009 0.000 3.217 1683 V HA -0.143 3.981 4.120 0.007 0.000 0.264 1683 V C 0.210 176.308 176.094 0.006 0.000 1.135 1683 V CA 1.675 63.979 62.300 0.008 0.000 1.142 1683 V CB 0.367 32.195 31.823 0.009 0.000 0.754 1683 V HN -0.426 7.744 8.190 0.010 0.025 0.484 1684 S N -2.215 113.488 115.700 0.006 0.000 2.730 1684 S HA 0.222 4.694 4.470 0.004 0.000 0.244 1684 S C -1.547 173.056 174.600 0.004 0.000 1.022 1684 S CA -1.115 57.088 58.200 0.005 0.000 1.014 1684 S CB 0.487 63.690 63.200 0.005 0.000 0.963 1684 S HN -0.604 7.513 8.310 0.007 0.197 0.540 1685 Q N -2.741 117.061 119.800 0.004 0.000 2.494 1685 Q HA -0.327 4.015 4.340 0.003 0.000 0.266 1685 Q C -0.194 175.809 176.000 0.004 0.000 1.053 1685 Q CA 1.677 57.482 55.803 0.003 0.000 1.029 1685 Q CB -2.378 26.361 28.738 0.002 0.000 1.423 1685 Q HN -0.487 7.614 8.270 0.004 0.172 0.516 1686 Q N -3.356 116.447 119.800 0.005 0.000 2.204 1686 Q HA 0.052 4.395 4.340 0.005 0.000 0.209 1686 Q C -0.922 175.082 176.000 0.007 0.000 0.861 1686 Q CA -0.450 55.357 55.803 0.006 0.000 0.971 1686 Q CB 0.924 29.665 28.738 0.006 0.000 1.095 1686 Q HN 0.172 8.310 8.270 0.006 0.136 0.486 1687 L N -0.387 120.841 121.223 0.007 0.000 2.346 1687 L HA 0.145 4.491 4.340 0.009 0.000 0.274 1687 L C -1.550 175.325 176.870 0.007 0.000 1.007 1687 L CA -0.933 53.912 54.840 0.008 0.000 0.818 1687 L CB 1.888 43.953 42.059 0.010 0.000 1.284 1687 L HN -0.435 7.715 8.230 0.006 0.083 0.424 1688 A N 5.172 127.997 122.820 0.008 0.000 2.331 1688 A HA 0.292 4.615 4.320 0.006 0.000 0.283 1688 A C -2.450 175.139 177.584 0.008 0.000 1.142 1688 A CA -2.271 49.770 52.037 0.007 0.000 0.812 1688 A CB -0.549 18.455 19.000 0.007 0.000 1.074 1688 A HN 0.034 8.189 8.150 0.009 0.000 0.497 1689 P HA -0.104 4.320 4.420 0.007 0.000 0.260 1689 P C -0.276 177.029 177.300 0.009 0.000 1.207 1689 P CA 0.274 63.378 63.100 0.007 0.000 0.780 1689 P CB -0.207 31.496 31.700 0.005 0.000 0.789 1690 R N 2.125 122.631 120.500 0.011 0.000 3.438 1690 R HA -0.459 3.889 4.340 0.015 0.000 0.624 1690 R C -0.037 176.271 176.300 0.012 0.000 0.241 1690 R CA 1.068 57.175 56.100 0.013 0.000 1.919 1690 R CB -1.876 28.432 30.300 0.013 0.000 0.864 1690 R HN -0.251 8.025 8.270 0.011 0.000 0.623 1691 E N 0.426 120.633 120.200 0.013 0.000 2.175 1691 E HA 0.042 4.398 4.350 0.011 0.000 0.195 1691 E C 0.531 177.137 176.600 0.011 0.000 0.934 1691 E CA -0.266 56.141 56.400 0.012 0.000 0.870 1691 E CB 0.519 30.227 29.700 0.014 0.000 0.838 1691 E HN 0.206 8.575 8.360 0.014 0.000 0.474 1692 G N -0.333 108.473 108.800 0.011 0.000 4.314 1692 G HA2 0.055 4.019 3.960 0.008 0.000 0.249 1692 G HA3 0.055 4.020 3.960 0.009 0.000 0.249 1692 G C -2.029 172.877 174.900 0.009 0.000 3.443 1692 G CA 0.160 45.265 45.100 0.009 0.000 0.602 1692 G HN -0.257 8.040 8.290 0.012 0.000 0.241 1693 I N -1.308 119.268 120.570 0.010 0.000 2.947 1693 I HA 0.232 4.407 4.170 0.008 0.000 0.301 1693 I C -1.935 174.189 176.117 0.011 0.000 1.453 1693 I CA -2.135 59.171 61.300 0.010 0.000 0.984 1693 I CB 2.887 40.894 38.000 0.012 0.000 1.333 1693 I HN -0.558 7.658 8.210 0.010 0.000 0.475 1694 S N 3.349 119.056 115.700 0.012 0.000 2.671 1694 S HA 0.208 4.685 4.470 0.012 0.000 0.272 1694 S C 0.095 174.708 174.600 0.021 0.000 1.174 1694 S CA -0.621 57.587 58.200 0.014 0.000 1.004 1694 S CB 1.634 64.841 63.200 0.012 0.000 1.077 1694 S HN 0.018 8.334 8.310 0.010 0.000 0.553 1695 Q N 0.410 120.225 119.800 0.024 0.000 2.033 1695 Q HA -0.200 4.158 4.340 0.031 0.000 0.196 1695 Q C 2.269 178.301 176.000 0.053 0.000 0.970 1695 Q CA 3.602 59.425 55.803 0.033 0.000 0.828 1695 Q CB -0.303 28.452 28.738 0.027 0.000 0.895 1695 Q HN 0.594 8.876 8.270 0.020 0.000 0.440 1696 E N -2.232 118.001 120.200 0.054 0.000 2.208 1696 E HA -0.232 4.198 4.350 0.133 0.000 0.193 1696 E C 1.786 178.419 176.600 0.055 0.000 0.988 1696 E CA 2.528 58.978 56.400 0.083 0.000 0.828 1696 E CB -0.355 29.384 29.700 0.065 0.000 0.763 1696 E HN 0.418 8.802 8.360 0.040 0.000 0.478 1697 A N -0.647 122.189 122.820 0.026 0.000 2.014 1697 A HA -0.113 4.193 4.320 -0.022 0.000 0.218 1697 A C 1.735 179.328 177.584 0.014 0.000 1.163 1697 A CA 2.716 54.754 52.037 0.003 0.000 0.652 1697 A CB -0.648 18.353 19.000 0.002 0.000 0.808 1697 A HN -0.425 7.714 8.150 0.026 0.027 0.449 1698 L N -1.323 119.925 121.223 0.041 0.000 1.994 1698 L HA -0.496 3.863 4.340 0.032 0.000 0.208 1698 L C 1.653 178.574 176.870 0.084 0.000 1.071 1698 L CA 3.510 58.380 54.840 0.050 0.000 0.745 1698 L CB -0.687 41.402 42.059 0.051 0.000 0.892 1698 L HN -0.738 7.390 8.230 0.044 0.129 0.431 1699 H N -1.187 117.879 119.070 -0.006 0.000 2.387 1699 H HA -0.484 4.064 4.556 -0.013 0.000 0.299 1699 H C 2.053 177.370 175.328 -0.017 0.000 1.099 1699 H CA 3.197 59.238 56.048 -0.011 0.000 1.315 1699 H CB 0.194 29.953 29.762 -0.006 0.000 1.380 1699 H HN -0.598 7.792 8.280 0.182 0.000 0.513 1700 T N 2.234 116.713 114.554 -0.124 0.000 2.668 1700 T HA -0.380 3.788 4.350 -0.304 0.000 0.262 1700 T C 2.010 176.661 174.700 -0.083 0.000 1.045 1700 T CA 4.733 66.725 62.100 -0.180 0.000 1.152 1700 T CB -0.473 68.317 68.868 -0.131 0.000 0.864 1700 T HN -0.364 7.750 8.240 -0.049 0.096 0.419 1701 Q N 2.269 122.047 119.800 -0.037 0.000 2.061 1701 Q HA -0.343 3.982 4.340 -0.026 0.000 0.204 1701 Q C 2.574 178.559 176.000 -0.025 0.000 0.984 1701 Q CA 3.478 59.268 55.803 -0.021 0.000 0.846 1701 Q CB -0.075 28.662 28.738 -0.003 0.000 0.902 1701 Q HN 0.381 8.519 8.270 -0.024 0.118 0.421 1702 M N -1.422 118.172 119.600 -0.010 0.000 2.077 1702 M HA -0.411 4.044 4.480 -0.041 0.000 0.261 1702 M C 1.962 178.237 176.300 -0.041 0.000 1.070 1702 M CA 4.481 59.768 55.300 -0.022 0.000 1.125 1702 M CB 0.159 32.761 32.600 0.004 0.000 1.339 1702 M HN 0.261 8.556 8.290 0.009 0.000 0.409 1703 L N 0.159 121.379 121.223 -0.004 0.000 2.046 1703 L HA -0.260 4.074 4.340 -0.011 0.000 0.208 1703 L C 1.974 178.804 176.870 -0.067 0.000 1.077 1703 L CA 3.646 58.481 54.840 -0.009 0.000 0.747 1703 L CB -0.849 41.248 42.059 0.063 0.000 0.896 1703 L HN -0.490 7.758 8.230 0.029 0.000 0.432 1704 T N 0.659 115.164 114.554 -0.081 0.000 2.720 1704 T HA -0.479 3.812 4.350 -0.098 0.000 0.268 1704 T C 1.763 176.362 174.700 -0.168 0.000 1.037 1704 T CA 4.935 66.973 62.100 -0.104 0.000 1.144 1704 T CB -0.268 68.551 68.868 -0.082 0.000 0.864 1704 T HN -0.038 8.159 8.240 -0.071 0.000 0.444 1705 A N 1.522 124.241 122.820 -0.169 0.000 1.855 1705 A HA -0.224 3.843 4.320 -0.423 0.000 0.215 1705 A C 1.939 179.319 177.584 -0.339 0.000 1.191 1705 A CA 3.204 55.075 52.037 -0.276 0.000 0.613 1705 A CB -0.814 18.104 19.000 -0.136 0.000 0.829 1705 A HN -0.452 7.630 8.150 -0.113 0.000 0.442 1706 V N -0.937 118.841 119.914 -0.227 0.000 2.282 1706 V HA -0.607 3.362 4.120 -0.251 0.000 0.249 1706 V C 2.268 178.269 176.094 -0.155 0.000 1.057 1706 V CA 4.169 66.352 62.300 -0.195 0.000 1.032 1706 V CB -1.144 30.605 31.823 -0.123 0.000 0.645 1706 V HN 0.199 8.285 8.190 -0.174 0.000 0.447 1707 Q N -1.101 118.617 119.800 -0.137 0.000 2.061 1707 Q HA -0.467 3.829 4.340 -0.073 0.000 0.204 1707 Q C 2.788 178.727 176.000 -0.100 0.000 0.984 1707 Q CA 3.922 59.663 55.803 -0.103 0.000 0.846 1707 Q CB -0.270 28.411 28.738 -0.095 0.000 0.902 1707 Q HN -0.048 8.142 8.270 -0.133 0.000 0.421 1708 E N -1.089 118.983 120.200 -0.214 0.000 2.204 1708 E HA -0.185 4.183 4.350 0.031 0.000 0.194 1708 E C 2.627 179.092 176.600 -0.226 0.000 0.989 1708 E CA 1.802 58.053 56.400 -0.247 0.000 0.824 1708 E CB -0.365 28.977 29.700 -0.596 0.000 0.756 1708 E HN -0.784 7.406 8.360 -0.284 0.000 0.477 1709 I N 1.082 121.500 120.570 -0.253 0.000 2.113 1709 I HA -0.647 3.617 4.170 0.157 0.000 0.238 1709 I C 1.658 177.826 176.117 0.085 0.000 1.070 1709 I CA 4.580 65.882 61.300 0.003 0.000 1.332 1709 I CB -0.232 37.752 38.000 -0.028 0.000 1.044 1709 I HN 0.399 8.294 8.210 -0.352 0.103 0.402 1710 S N -0.093 115.634 115.700 0.046 0.000 2.374 1710 S HA -0.510 4.012 4.470 0.086 0.000 0.227 1710 S C 1.720 176.391 174.600 0.119 0.000 1.037 1710 S CA 3.838 62.080 58.200 0.071 0.000 1.024 1710 S CB -0.190 63.027 63.200 0.029 0.000 0.861 1710 S HN -0.068 8.235 8.310 -0.013 0.000 0.456 1711 H N 0.697 119.760 119.070 -0.012 0.000 2.353 1711 H HA -0.243 4.312 4.556 -0.001 0.000 0.298 1711 H C 1.824 177.172 175.328 0.033 0.000 1.103 1711 H CA 2.670 58.718 56.048 -0.001 0.000 1.293 1711 H CB 0.276 30.024 29.762 -0.025 0.000 1.372 1711 H HN -0.053 8.302 8.280 0.140 0.009 0.501 1712 L N -5.274 116.028 121.223 0.132 0.000 2.477 1712 L HA 0.098 4.448 4.340 0.017 0.000 0.220 1712 L C 0.875 177.802 176.870 0.097 0.000 1.106 1712 L CA 1.771 56.656 54.840 0.074 0.000 0.851 1712 L CB 0.446 42.568 42.059 0.105 0.000 0.994 1712 L HN -0.486 7.707 8.230 0.146 0.125 0.462 1713 I N 1.671 122.310 120.570 0.115 0.000 2.226 1713 I HA -0.624 3.608 4.170 0.103 0.000 0.245 1713 I C 2.059 178.220 176.117 0.074 0.000 1.100 1713 I CA 4.853 66.213 61.300 0.100 0.000 1.374 1713 I CB -0.732 37.332 38.000 0.106 0.000 1.057 1713 I HN 0.028 8.156 8.210 0.128 0.159 0.413 1714 E N -1.041 119.204 120.200 0.075 0.000 2.031 1714 E HA -0.201 4.178 4.350 0.048 0.000 0.193 1714 E C -0.707 175.922 176.600 0.048 0.000 0.994 1714 E CA 5.168 61.603 56.400 0.058 0.000 0.800 1714 E CB -2.092 27.645 29.700 0.062 0.000 0.752 1714 E HN -0.568 7.846 8.360 0.091 0.000 0.447 1715 P HA -0.152 4.284 4.420 0.026 0.000 0.220 1715 P C 1.531 178.847 177.300 0.026 0.000 1.148 1715 P CA 2.393 65.513 63.100 0.033 0.000 0.803 1715 P CB -0.322 31.394 31.700 0.026 0.000 0.782 1716 L N -0.821 120.424 121.223 0.037 0.000 2.072 1716 L HA -0.261 4.094 4.340 0.026 0.000 0.205 1716 L C 1.225 178.107 176.870 0.020 0.000 1.079 1716 L CA 2.670 57.529 54.840 0.032 0.000 0.752 1716 L CB -0.352 41.734 42.059 0.045 0.000 0.906 1716 L HN 0.121 8.263 8.230 0.049 0.117 0.436 1717 A N -1.041 121.794 122.820 0.025 0.000 1.883 1717 A HA -0.454 3.873 4.320 0.012 0.000 0.217 1717 A C 1.873 179.461 177.584 0.007 0.000 1.186 1717 A CA 3.428 55.475 52.037 0.016 0.000 0.624 1717 A CB -1.155 17.858 19.000 0.022 0.000 0.822 1717 A HN 0.303 8.473 8.150 0.035 0.000 0.444 1718 S N -1.873 113.833 115.700 0.009 0.000 2.382 1718 S HA -0.366 4.104 4.470 0.000 0.000 0.228 1718 S C 1.959 176.556 174.600 -0.004 0.000 1.027 1718 S CA 3.308 61.510 58.200 0.002 0.000 0.991 1718 S CB -0.237 62.966 63.200 0.005 0.000 0.823 1718 S HN -0.463 7.856 8.310 0.016 0.000 0.469 1719 A N 0.785 123.604 122.820 -0.003 0.000 1.897 1719 A HA -0.199 4.176 4.320 -0.013 -0.062 0.215 1719 A C 2.056 179.631 177.584 -0.016 0.000 1.181 1719 A CA 2.436 54.468 52.037 -0.008 0.000 0.620 1719 A CB -0.599 18.401 19.000 -0.001 0.000 0.821 1719 A HN -0.451 7.574 8.150 0.004 0.128 0.443 1720 A N -0.507 122.303 122.820 -0.016 0.000 1.978 1720 A HA -0.297 3.999 4.320 -0.039 0.000 0.220 1720 A C 1.565 179.122 177.584 -0.045 0.000 1.170 1720 A CA 2.906 54.923 52.037 -0.033 0.000 0.636 1720 A CB -0.272 18.711 19.000 -0.028 0.000 0.810 1720 A HN 0.657 8.688 8.150 -0.007 0.115 0.448 1721 R N -4.464 116.017 120.500 -0.032 0.000 2.276 1721 R HA -0.099 4.213 4.340 -0.046 0.000 0.196 1721 R C -0.096 176.185 176.300 -0.031 0.000 0.961 1721 R CA 2.059 58.138 56.100 -0.034 0.000 1.024 1721 R CB 0.537 30.823 30.300 -0.023 0.000 0.940 1721 R HN -0.486 7.749 8.270 -0.022 0.022 0.480 1722 A N -2.045 120.760 122.820 -0.026 0.000 1.472 1722 A HA 0.123 4.430 4.320 -0.021 0.000 0.214 1722 A C -1.680 175.893 177.584 -0.019 0.000 1.836 1722 A CA 1.019 53.044 52.037 -0.021 0.000 1.436 1722 A CB 1.566 20.556 19.000 -0.016 0.000 1.362 1722 A HN -0.109 7.849 8.150 -0.025 0.177 0.359 1723 E N 1.490 121.679 120.200 -0.019 0.000 1.795 1723 E HA -0.128 4.208 4.350 -0.022 0.000 0.261 1723 E C -0.448 176.141 176.600 -0.018 0.000 1.238 1723 E CA 0.118 56.506 56.400 -0.021 0.000 1.001 1723 E CB -1.579 28.107 29.700 -0.025 0.000 1.065 1723 E HN -0.502 7.847 8.360 -0.018 0.000 0.418 1724 A N 5.668 128.479 122.820 -0.014 0.000 1.873 1724 A HA -0.300 4.014 4.320 -0.010 0.000 0.215 1724 A C 1.121 178.710 177.584 0.008 0.000 1.186 1724 A CA 3.801 55.834 52.037 -0.006 0.000 0.616 1724 A CB 0.153 19.152 19.000 -0.002 0.000 0.823 1724 A HN -0.267 7.874 8.150 -0.014 0.000 0.442 1725 S N -3.317 112.383 115.700 -0.000 0.000 2.481 1725 S HA -0.268 4.227 4.470 0.043 0.000 0.231 1725 S C 1.552 176.145 174.600 -0.012 0.000 0.996 1725 S CA 2.457 60.662 58.200 0.009 0.000 0.942 1725 S CB -0.343 62.849 63.200 -0.014 0.000 0.768 1725 S HN 0.359 8.662 8.310 -0.011 0.000 0.520 1726 Q N 0.407 120.179 119.800 -0.047 0.000 2.349 1726 Q HA 0.007 4.185 4.340 -0.270 0.000 0.209 1726 Q C 1.485 177.499 176.000 0.024 0.000 0.920 1726 Q CA 1.709 57.454 55.803 -0.096 0.000 0.901 1726 Q CB 0.586 29.264 28.738 -0.099 0.000 1.021 1726 Q HN -0.419 7.664 8.270 -0.031 0.168 0.519 1727 L N 1.523 122.763 121.223 0.028 0.000 2.013 1727 L HA -0.391 3.964 4.340 0.025 0.000 0.212 1727 L C 1.299 178.206 176.870 0.062 0.000 1.073 1727 L CA 3.551 58.410 54.840 0.033 0.000 0.753 1727 L CB -0.452 41.611 42.059 0.007 0.000 0.890 1727 L HN 0.159 8.296 8.230 0.008 0.098 0.432 1728 G N -4.302 104.551 108.800 0.088 0.000 2.469 1728 G HA2 -0.444 3.530 3.960 0.023 0.000 0.220 1728 G HA3 -0.444 3.562 3.960 0.077 0.000 0.220 1728 G C 0.955 175.896 174.900 0.069 0.000 1.136 1728 G CA 2.602 47.744 45.100 0.070 0.000 0.759 1728 G HN -0.221 8.122 8.290 0.089 0.000 0.562 1729 H N 1.049 120.107 119.070 -0.019 0.000 2.389 1729 H HA -0.144 4.397 4.556 -0.025 0.000 0.299 1729 H C 2.370 177.687 175.328 -0.019 0.000 1.081 1729 H CA 3.108 59.144 56.048 -0.021 0.000 1.345 1729 H CB -0.357 29.394 29.762 -0.017 0.000 1.393 1729 H HN -0.452 7.951 8.280 0.398 0.115 0.520 1730 K N -0.787 119.683 120.400 0.116 0.000 2.057 1730 K HA -0.239 4.123 4.320 0.071 0.000 0.206 1730 K C 2.205 178.832 176.600 0.045 0.000 1.050 1730 K CA 2.346 58.674 56.287 0.069 0.000 0.935 1730 K CB -0.763 31.770 32.500 0.054 0.000 0.715 1730 K HN -0.661 7.565 8.250 0.128 0.100 0.439 1731 V N 0.740 120.668 119.914 0.025 0.000 2.332 1731 V HA -0.651 3.473 4.120 0.006 0.000 0.248 1731 V C 1.342 177.422 176.094 -0.023 0.000 1.055 1731 V CA 4.748 67.047 62.300 -0.002 0.000 1.038 1731 V CB -0.468 31.343 31.823 -0.020 0.000 0.651 1731 V HN 0.422 8.632 8.190 0.033 0.000 0.450 1732 S N -0.731 114.942 115.700 -0.045 0.000 2.374 1732 S HA -0.406 4.013 4.470 -0.084 0.000 0.227 1732 S C 2.352 176.885 174.600 -0.112 0.000 1.037 1732 S CA 3.813 61.962 58.200 -0.084 0.000 1.024 1732 S CB -0.638 62.491 63.200 -0.117 0.000 0.861 1732 S HN -0.209 8.079 8.310 -0.036 0.000 0.456 1733 Q N 0.657 120.405 119.800 -0.087 0.000 2.046 1733 Q HA -0.276 3.864 4.340 -0.333 0.000 0.200 1733 Q C 2.343 178.271 176.000 -0.121 0.000 0.975 1733 Q CA 2.676 58.384 55.803 -0.158 0.000 0.836 1733 Q CB 0.040 28.788 28.738 0.017 0.000 0.896 1733 Q HN -0.801 7.352 8.270 -0.036 0.096 0.428 1734 M N 0.223 119.875 119.600 0.087 0.000 2.117 1734 M HA -0.483 4.265 4.480 0.447 0.000 0.262 1734 M C 1.528 178.000 176.300 0.287 0.000 1.065 1734 M CA 3.764 59.222 55.300 0.264 0.000 1.114 1734 M CB 0.114 32.831 32.600 0.196 0.000 1.361 1734 M HN -0.010 8.318 8.290 0.063 0.000 0.408 1735 A N -3.091 119.783 122.820 0.090 0.000 1.930 1735 A HA -0.365 4.004 4.320 0.081 0.000 0.217 1735 A C 1.668 179.303 177.584 0.085 0.000 1.175 1735 A CA 2.910 54.988 52.037 0.068 0.000 0.627 1735 A CB -0.445 18.543 19.000 -0.021 0.000 0.815 1735 A HN -0.177 7.985 8.150 0.021 0.000 0.443 1736 Q N -2.112 117.653 119.800 -0.059 0.000 2.119 1736 Q HA -0.273 4.034 4.340 -0.054 0.000 0.201 1736 Q C 2.616 178.574 176.000 -0.070 0.000 0.972 1736 Q CA 2.559 58.284 55.803 -0.129 0.000 0.847 1736 Q CB -0.266 28.301 28.738 -0.285 0.000 0.903 1736 Q HN -0.592 7.583 8.270 -0.124 0.021 0.433 1737 Y N -1.048 119.306 120.300 0.091 0.000 2.373 1737 Y HA -0.217 4.328 4.550 -0.009 0.000 0.293 1737 Y C 1.741 177.617 175.900 -0.040 0.000 1.129 1737 Y CA 1.782 59.885 58.100 0.006 0.000 1.226 1737 Y CB -0.401 38.031 38.460 -0.046 0.000 1.000 1737 Y HN -0.566 7.622 8.280 -0.153 0.000 0.549 1738 F N -2.776 117.260 119.950 0.142 0.000 2.407 1738 F HA -0.307 4.281 4.527 0.101 0.000 0.299 1738 F C 1.621 177.457 175.800 0.060 0.000 1.097 1738 F CA 3.582 61.636 58.000 0.091 0.000 1.422 1738 F CB -0.211 38.828 39.000 0.066 0.000 1.067 1738 F HN -0.651 7.815 8.300 0.481 0.123 0.539 1739 E N 0.636 120.951 120.200 0.191 0.000 2.017 1739 E HA -0.279 4.143 4.350 0.119 0.000 0.193 1739 E C -0.903 175.745 176.600 0.080 0.000 0.997 1739 E CA 5.059 61.527 56.400 0.112 0.000 0.804 1739 E CB -1.779 27.962 29.700 0.067 0.000 0.757 1739 E HN -0.551 7.891 8.360 0.187 0.031 0.448 1740 P HA -0.180 4.264 4.420 0.040 0.000 0.218 1740 P C 1.561 178.880 177.300 0.032 0.000 1.148 1740 P CA 2.606 65.734 63.100 0.046 0.000 0.822 1740 P CB -0.449 31.280 31.700 0.050 0.000 0.784 1741 L N -2.235 118.998 121.223 0.017 0.000 2.012 1741 L HA -0.412 3.913 4.340 -0.024 0.000 0.210 1741 L C 2.383 179.272 176.870 0.031 0.000 1.073 1741 L CA 3.517 58.348 54.840 -0.015 0.000 0.748 1741 L CB -0.625 41.363 42.059 -0.119 0.000 0.891 1741 L HN -0.592 7.640 8.230 0.024 0.013 0.431 1742 T N 1.495 116.092 114.554 0.072 0.000 2.622 1742 T HA -0.394 4.005 4.350 0.082 0.000 0.266 1742 T C 1.795 176.526 174.700 0.051 0.000 1.047 1742 T CA 5.568 67.715 62.100 0.077 0.000 1.159 1742 T CB -0.314 68.611 68.868 0.095 0.000 0.863 1742 T HN -0.058 8.239 8.240 0.095 0.000 0.422 1743 L N 0.084 121.334 121.223 0.045 0.000 2.012 1743 L HA -0.484 3.875 4.340 0.032 0.000 0.210 1743 L C 2.323 179.210 176.870 0.028 0.000 1.073 1743 L CA 3.600 58.461 54.840 0.034 0.000 0.748 1743 L CB -0.788 41.289 42.059 0.031 0.000 0.891 1743 L HN -0.121 8.140 8.230 0.051 0.000 0.431 1744 A N -1.655 121.181 122.820 0.026 0.000 1.902 1744 A HA -0.355 3.978 4.320 0.021 0.000 0.217 1744 A C 1.668 179.266 177.584 0.024 0.000 1.181 1744 A CA 2.926 54.976 52.037 0.022 0.000 0.623 1744 A CB -0.895 18.116 19.000 0.017 0.000 0.818 1744 A HN 0.758 8.800 8.150 0.027 0.124 0.443 1745 A N -0.591 122.245 122.820 0.026 0.000 1.898 1745 A HA -0.229 4.106 4.320 0.025 0.000 0.216 1745 A C 2.157 179.758 177.584 0.028 0.000 1.181 1745 A CA 2.887 54.941 52.037 0.028 0.000 0.620 1745 A CB -0.452 18.568 19.000 0.034 0.000 0.819 1745 A HN 0.234 8.289 8.150 0.027 0.111 0.442 1746 V N -1.877 118.055 119.914 0.029 0.000 2.490 1746 V HA -0.545 3.590 4.120 0.026 0.000 0.250 1746 V C 2.058 178.165 176.094 0.021 0.000 1.061 1746 V CA 4.051 66.366 62.300 0.026 0.000 1.064 1746 V CB -0.451 31.389 31.823 0.027 0.000 0.670 1746 V HN 0.347 8.557 8.190 0.033 0.000 0.461 1747 G N -1.015 107.798 108.800 0.021 0.000 2.480 1747 G HA2 -0.389 3.668 3.960 0.016 0.000 0.216 1747 G HA3 -0.389 3.582 3.960 0.019 0.000 0.216 1747 G C 0.534 175.445 174.900 0.018 0.000 1.200 1747 G CA 2.132 47.243 45.100 0.018 0.000 0.782 1747 G HN 0.121 8.241 8.290 0.023 0.184 0.554 1748 A N 2.299 125.131 122.820 0.020 0.000 1.940 1748 A HA -0.286 4.045 4.320 0.019 0.000 0.219 1748 A C 2.163 179.757 177.584 0.017 0.000 1.176 1748 A CA 2.668 54.717 52.037 0.020 0.000 0.631 1748 A CB -0.661 18.352 19.000 0.022 0.000 0.814 1748 A HN 0.256 8.311 8.150 0.022 0.108 0.446 1749 A N -0.792 122.038 122.820 0.018 0.000 1.859 1749 A HA -0.341 3.989 4.320 0.016 0.000 0.217 1749 A C 1.478 179.069 177.584 0.011 0.000 1.198 1749 A CA 3.080 55.127 52.037 0.016 0.000 0.629 1749 A CB -0.621 18.390 19.000 0.018 0.000 0.830 1749 A HN 0.150 8.122 8.150 0.020 0.190 0.446 1750 S N -3.077 112.630 115.700 0.011 0.000 2.470 1750 S HA -0.084 4.389 4.470 0.006 0.000 0.225 1750 S C 1.188 175.791 174.600 0.005 0.000 1.006 1750 S CA 1.916 60.121 58.200 0.008 0.000 0.934 1750 S CB 0.181 63.386 63.200 0.008 0.000 0.778 1750 S HN -0.506 7.812 8.310 0.013 0.000 0.517 1751 K N -0.046 120.358 120.400 0.006 0.000 2.168 1751 K HA -0.018 4.303 4.320 0.002 0.000 0.201 1751 K C 0.418 177.018 176.600 -0.000 0.000 1.049 1751 K CA 1.631 57.921 56.287 0.004 0.000 0.974 1751 K CB 1.153 33.658 32.500 0.008 0.000 0.792 1751 K HN -0.271 7.848 8.250 0.009 0.137 0.463 1752 T N 3.539 118.094 114.554 0.002 0.000 2.738 1752 T HA -0.142 4.291 4.350 -0.007 -0.087 0.294 1752 T C -0.804 173.887 174.700 -0.015 0.000 0.914 1752 T CA 2.288 64.386 62.100 -0.003 0.000 1.052 1752 T CB 0.105 68.978 68.868 0.009 0.000 0.897 1752 T HN 0.008 8.132 8.240 0.007 0.120 0.522 1753 L N 6.433 127.636 121.223 -0.034 0.000 3.017 1753 L HA 0.280 4.597 4.340 -0.038 0.000 0.255 1753 L C -0.457 176.350 176.870 -0.105 0.000 1.247 1753 L CA -0.476 54.334 54.840 -0.051 0.000 1.038 1753 L CB 0.134 42.169 42.059 -0.041 0.000 1.380 1753 L HN 0.241 8.450 8.230 -0.035 0.000 0.548 1754 S N -0.087 115.533 115.700 -0.134 0.000 2.327 1754 S HA -0.078 4.184 4.470 -0.348 0.000 0.213 1754 S C -0.500 173.770 174.600 -0.550 0.000 1.032 1754 S CA 1.851 59.854 58.200 -0.328 0.000 0.960 1754 S CB 0.158 63.239 63.200 -0.198 0.000 0.900 1754 S HN 0.153 8.331 8.310 -0.077 0.086 0.469 1755 H N -2.408 116.658 119.070 -0.006 0.000 2.966 1755 H HA 0.272 4.824 4.556 -0.006 0.000 0.330 1755 H C -2.002 173.322 175.328 -0.006 0.000 1.292 1755 H CA -1.874 54.169 56.048 -0.007 0.000 1.127 1755 H CB 0.548 30.303 29.762 -0.011 0.000 1.863 1755 H HN -0.581 7.689 8.280 -0.016 0.000 0.543 1756 P HA -0.161 4.288 4.420 0.048 0.000 0.224 1756 P C 0.452 177.784 177.300 0.053 0.000 1.142 1756 P CA 1.416 64.555 63.100 0.066 0.000 0.778 1756 P CB 0.335 32.065 31.700 0.049 0.000 0.764 1757 Q N -3.091 116.752 119.800 0.072 0.000 2.173 1757 Q HA -0.482 3.870 4.340 0.021 0.000 0.208 1757 Q C 2.109 178.128 176.000 0.032 0.000 0.989 1757 Q CA 3.325 59.154 55.803 0.043 0.000 0.872 1757 Q CB -1.471 27.300 28.738 0.055 0.000 0.909 1757 Q HN 0.252 8.514 8.270 0.122 0.081 0.420 1758 Q N -0.521 119.301 119.800 0.037 0.000 2.002 1758 Q HA -0.302 4.051 4.340 0.022 0.000 0.204 1758 Q C 2.059 178.072 176.000 0.022 0.000 0.988 1758 Q CA 3.537 59.355 55.803 0.025 0.000 0.843 1758 Q CB -0.261 28.488 28.738 0.019 0.000 0.908 1758 Q HN -0.252 8.027 8.270 0.050 0.020 0.420 1759 M N -1.630 117.984 119.600 0.023 0.000 2.319 1759 M HA -0.177 4.315 4.480 0.020 0.000 0.265 1759 M C 2.272 178.585 176.300 0.021 0.000 1.068 1759 M CA 1.482 56.794 55.300 0.021 0.000 1.118 1759 M CB -1.273 31.339 32.600 0.020 0.000 1.395 1759 M HN -0.651 7.654 8.290 0.025 0.000 0.435 1760 A N 0.493 123.325 122.820 0.020 0.000 1.858 1760 A HA -0.273 4.057 4.320 0.017 0.000 0.216 1760 A C 1.594 179.188 177.584 0.017 0.000 1.190 1760 A CA 3.402 55.449 52.037 0.016 0.000 0.617 1760 A CB -0.541 18.466 19.000 0.011 0.000 0.827 1760 A HN 0.573 8.638 8.150 0.022 0.099 0.443 1761 L N -3.921 117.311 121.223 0.015 0.000 2.217 1761 L HA 0.084 4.640 4.340 0.014 -0.208 0.211 1761 L C 2.050 178.934 176.870 0.024 0.000 1.107 1761 L CA 2.561 57.410 54.840 0.015 0.000 0.783 1761 L CB -0.885 41.180 42.059 0.010 0.000 0.919 1761 L HN -0.212 8.027 8.230 0.015 0.000 0.442 1762 L N 0.631 121.869 121.223 0.025 0.000 2.017 1762 L HA -0.396 3.964 4.340 0.032 0.000 0.208 1762 L C 1.320 178.211 176.870 0.036 0.000 1.073 1762 L CA 3.719 58.578 54.840 0.030 0.000 0.745 1762 L CB -0.633 41.442 42.059 0.027 0.000 0.894 1762 L HN -0.536 7.691 8.230 0.022 0.017 0.432 1763 D N -1.510 118.909 120.400 0.032 0.000 2.123 1763 D HA -0.322 4.341 4.640 0.037 0.000 0.200 1763 D C 2.194 178.520 176.300 0.042 0.000 0.976 1763 D CA 3.545 57.566 54.000 0.035 0.000 0.831 1763 D CB 0.347 41.163 40.800 0.028 0.000 0.974 1763 D HN 0.082 8.469 8.370 0.027 0.000 0.469 1764 Q N -0.399 119.424 119.800 0.038 0.000 2.124 1764 Q HA -0.360 4.007 4.340 0.045 0.000 0.202 1764 Q C 2.687 178.725 176.000 0.063 0.000 0.977 1764 Q CA 3.380 59.209 55.803 0.043 0.000 0.850 1764 Q CB 0.137 28.892 28.738 0.029 0.000 0.901 1764 Q HN 0.280 8.461 8.270 0.031 0.107 0.429 1765 T N 2.100 116.690 114.554 0.060 0.000 2.720 1765 T HA -0.455 3.940 4.350 0.075 0.000 0.268 1765 T C 1.529 176.312 174.700 0.139 0.000 1.037 1765 T CA 4.797 66.947 62.100 0.084 0.000 1.144 1765 T CB -0.310 68.594 68.868 0.061 0.000 0.864 1765 T HN 0.214 8.374 8.240 0.046 0.107 0.444 1766 K N 1.522 121.984 120.400 0.103 0.000 2.057 1766 K HA -0.352 4.039 4.320 0.119 0.000 0.206 1766 K C 2.002 178.661 176.600 0.099 0.000 1.050 1766 K CA 3.834 60.181 56.287 0.100 0.000 0.935 1766 K CB -0.308 32.233 32.500 0.067 0.000 0.715 1766 K HN -0.585 7.629 8.250 0.078 0.082 0.439 1767 T N 2.947 117.552 114.554 0.085 0.000 2.684 1767 T HA -0.338 4.049 4.350 0.061 0.000 0.267 1767 T C 2.219 176.984 174.700 0.109 0.000 1.036 1767 T CA 5.268 67.414 62.100 0.077 0.000 1.148 1767 T CB -0.322 68.582 68.868 0.060 0.000 0.863 1767 T HN 0.454 8.560 8.240 0.075 0.179 0.436 1768 L N 1.351 122.670 121.223 0.160 0.000 2.093 1768 L HA -0.154 4.304 4.340 0.197 0.000 0.208 1768 L C 0.914 177.994 176.870 0.350 0.000 1.085 1768 L CA 2.685 57.680 54.840 0.259 0.000 0.755 1768 L CB -0.731 41.491 42.059 0.273 0.000 0.904 1768 L HN 0.413 8.614 8.230 0.142 0.114 0.435 1769 A N -0.441 122.578 122.820 0.331 0.000 1.902 1769 A HA -0.392 3.789 4.320 -0.232 0.000 0.217 1769 A C 2.156 179.708 177.584 -0.054 0.000 1.181 1769 A CA 3.457 55.547 52.037 0.088 0.000 0.623 1769 A CB -0.709 18.392 19.000 0.170 0.000 0.818 1769 A HN 0.495 8.638 8.150 0.302 0.188 0.443 1770 E N -1.104 119.114 120.200 0.030 0.000 2.106 1770 E HA -0.395 3.967 4.350 0.019 0.000 0.192 1770 E C 2.594 179.204 176.600 0.016 0.000 0.984 1770 E CA 3.023 59.436 56.400 0.022 0.000 0.806 1770 E CB -0.222 29.498 29.700 0.034 0.000 0.750 1770 E HN 0.423 8.716 8.360 0.072 0.109 0.458 1771 S N 0.998 116.718 115.700 0.033 0.000 2.356 1771 S HA -0.274 4.217 4.470 0.036 0.000 0.223 1771 S C 1.896 176.497 174.600 0.000 0.000 1.032 1771 S CA 3.858 62.081 58.200 0.038 0.000 1.005 1771 S CB -0.354 62.895 63.200 0.081 0.000 0.867 1771 S HN 0.243 8.405 8.310 0.060 0.184 0.449 1772 A N 1.929 124.693 122.820 -0.093 0.000 1.969 1772 A HA -0.135 4.121 4.320 -0.107 0.000 0.218 1772 A C 1.600 179.080 177.584 -0.172 0.000 1.169 1772 A CA 2.560 54.457 52.037 -0.233 0.000 0.635 1772 A CB -0.543 17.970 19.000 -0.812 0.000 0.810 1772 A HN 0.344 8.257 8.150 -0.094 0.181 0.445 1773 L N -0.139 121.013 121.223 -0.117 0.000 2.027 1773 L HA -0.376 3.923 4.340 -0.068 0.000 0.206 1773 L C 1.671 178.670 176.870 0.215 0.000 1.074 1773 L CA 3.560 58.412 54.840 0.020 0.000 0.745 1773 L CB -0.343 41.769 42.059 0.088 0.000 0.898 1773 L HN 0.311 8.254 8.230 -0.133 0.207 0.433 1774 Q N -0.852 119.037 119.800 0.150 0.000 2.135 1774 Q HA -0.294 4.157 4.340 0.186 0.000 0.204 1774 Q C 2.636 178.707 176.000 0.119 0.000 0.981 1774 Q CA 2.804 58.689 55.803 0.137 0.000 0.856 1774 Q CB -0.516 28.248 28.738 0.043 0.000 0.902 1774 Q HN 0.250 8.455 8.270 0.076 0.110 0.425 1775 L N 0.992 122.249 121.223 0.057 0.000 1.994 1775 L HA -0.209 4.153 4.340 0.037 0.000 0.208 1775 L C 2.038 178.920 176.870 0.020 0.000 1.071 1775 L CA 3.053 57.911 54.840 0.031 0.000 0.745 1775 L CB -0.630 41.435 42.059 0.010 0.000 0.892 1775 L HN 0.037 8.091 8.230 0.034 0.196 0.431 1776 L N -3.122 118.090 121.223 -0.018 0.000 2.083 1776 L HA -0.453 3.851 4.340 -0.060 0.000 0.209 1776 L C 2.630 179.462 176.870 -0.064 0.000 1.083 1776 L CA 3.289 58.086 54.840 -0.072 0.000 0.752 1776 L CB -0.787 41.182 42.059 -0.150 0.000 0.899 1776 L HN 0.523 8.610 8.230 -0.037 0.120 0.433 1777 Y N -1.331 118.949 120.300 -0.034 0.000 2.097 1777 Y HA -0.479 4.068 4.550 -0.004 0.000 0.282 1777 Y C 2.535 178.424 175.900 -0.020 0.000 1.152 1777 Y CA 4.308 62.400 58.100 -0.015 0.000 1.136 1777 Y CB -0.202 38.253 38.460 -0.009 0.000 0.975 1777 Y HN 0.573 8.825 8.280 0.151 0.119 0.498 1778 T N -1.674 112.966 114.554 0.143 0.000 2.904 1778 T HA -0.383 4.003 4.350 0.061 0.000 0.267 1778 T C 1.440 176.128 174.700 -0.019 0.000 1.059 1778 T CA 3.298 65.431 62.100 0.054 0.000 1.137 1778 T CB -0.547 68.346 68.868 0.041 0.000 0.879 1778 T HN 0.006 8.340 8.240 0.157 0.000 0.467 1779 A N 1.921 124.728 122.820 -0.022 0.000 1.969 1779 A HA -0.337 3.944 4.320 -0.065 0.000 0.218 1779 A C 1.617 179.138 177.584 -0.106 0.000 1.169 1779 A CA 2.934 54.936 52.037 -0.059 0.000 0.635 1779 A CB -0.812 18.164 19.000 -0.039 0.000 0.810 1779 A HN 0.587 8.636 8.150 0.005 0.104 0.445 1780 K N -1.924 118.422 120.400 -0.090 0.000 2.097 1780 K HA -0.273 3.994 4.320 -0.088 0.000 0.205 1780 K C 2.093 178.504 176.600 -0.316 0.000 1.050 1780 K CA 2.810 59.036 56.287 -0.100 0.000 0.938 1780 K CB -0.057 32.435 32.500 -0.013 0.000 0.718 1780 K HN -0.286 7.816 8.250 -0.049 0.119 0.442 1781 E N -2.026 117.958 120.200 -0.360 0.000 2.028 1781 E HA -0.197 3.052 4.350 -1.836 0.000 0.190 1781 E C 0.947 176.997 176.600 -0.918 0.000 0.984 1781 E CA 2.167 58.062 56.400 -0.842 0.000 0.800 1781 E CB 0.305 29.888 29.700 -0.195 0.000 0.758 1781 E HN -0.807 7.362 8.360 -0.151 0.099 0.448 1782 A N -3.985 118.592 122.820 -0.405 0.000 2.169 1782 A HA 0.107 4.393 4.320 -0.257 -0.121 0.212 1782 A C 0.218 177.668 177.584 -0.224 0.000 1.153 1782 A CA 0.135 52.017 52.037 -0.258 0.000 0.756 1782 A CB 0.885 19.808 19.000 -0.127 0.000 0.813 1782 A HN -0.250 7.735 8.150 -0.274 0.000 0.471 1783 G N -1.816 106.838 108.800 -0.244 0.000 2.178 1783 G HA2 -0.312 3.679 3.960 -0.098 0.000 0.276 1783 G HA3 -0.312 3.604 3.960 -0.131 -0.034 0.276 1783 G C 0.005 174.846 174.900 -0.099 0.000 1.038 1783 G CA 1.039 46.056 45.100 -0.139 0.000 1.177 1783 G HN -0.602 7.432 8.290 -0.321 0.063 0.396 1784 G N 5.511 114.273 108.800 -0.064 0.000 2.184 1784 G HA2 -0.412 3.627 3.960 -0.029 0.000 0.264 1784 G HA3 -0.412 3.533 3.960 -0.025 0.000 0.264 1784 G C -0.951 173.930 174.900 -0.031 0.000 0.975 1784 G CA 0.320 45.398 45.100 -0.036 0.000 0.642 1784 G HN -0.121 8.025 8.290 -0.063 0.106 0.536 1785 N N -0.328 118.340 118.700 -0.053 0.000 2.609 1785 N HA 0.350 5.085 4.740 -0.009 0.000 0.268 1785 N C -1.954 173.532 175.510 -0.040 0.000 1.106 1785 N CA -2.120 50.912 53.050 -0.030 0.000 0.823 1785 N CB 1.578 40.061 38.487 -0.007 0.000 1.263 1785 N HN 0.047 8.180 8.380 -0.088 0.195 0.533 1786 P HA -0.031 4.370 4.420 -0.031 0.000 0.229 1786 P C -0.254 177.045 177.300 -0.002 0.000 1.160 1786 P CA 0.999 64.087 63.100 -0.020 0.000 0.777 1786 P CB 0.572 32.262 31.700 -0.016 0.000 0.814 1787 K N -1.800 118.610 120.400 0.015 0.000 1.980 1787 K HA -0.248 4.086 4.320 0.023 0.000 0.208 1787 K C 1.909 178.546 176.600 0.060 0.000 1.043 1787 K CA 2.498 58.805 56.287 0.034 0.000 0.938 1787 K CB -0.613 31.911 32.500 0.039 0.000 0.724 1787 K HN -0.627 7.747 8.250 0.014 -0.115 0.438 1788 Q N -2.316 117.542 119.800 0.096 0.000 2.265 1788 Q HA -0.037 4.386 4.340 0.138 0.000 0.217 1788 Q C -0.750 175.345 176.000 0.158 0.000 0.916 1788 Q CA 0.891 56.793 55.803 0.164 0.000 0.948 1788 Q CB -1.024 27.887 28.738 0.289 0.000 1.020 1788 Q HN 0.112 8.588 8.270 0.094 -0.149 0.462 1789 A N -3.387 119.477 122.820 0.073 0.000 2.709 1789 A HA 0.346 4.714 4.320 0.079 0.000 0.241 1789 A C -1.081 176.525 177.584 0.036 0.000 0.879 1789 A CA -0.550 51.511 52.037 0.039 0.000 1.120 1789 A CB 0.664 19.629 19.000 -0.058 0.000 1.226 1789 A HN -0.541 7.494 8.150 0.055 0.148 0.468 1790 A N 1.359 124.209 122.820 0.051 0.000 1.873 1790 A HA -0.356 3.944 4.320 -0.034 0.000 0.218 1790 A C 0.697 178.239 177.584 -0.069 0.000 1.193 1790 A CA 2.858 54.886 52.037 -0.016 0.000 0.629 1790 A CB -0.300 18.687 19.000 -0.022 0.000 0.826 1790 A HN -0.552 7.647 8.150 0.082 0.000 0.447 1791 H N -4.031 115.048 119.070 0.016 0.000 2.512 1791 H HA 0.025 4.586 4.556 0.009 0.000 0.279 1791 H C 1.545 176.878 175.328 0.008 0.000 0.999 1791 H CA 2.849 58.904 56.048 0.013 0.000 1.283 1791 H CB -0.123 29.649 29.762 0.016 0.000 1.421 1791 H HN 0.118 8.542 8.280 0.240 0.000 0.554 1792 T N 2.808 117.431 114.554 0.115 0.000 2.881 1792 T HA -0.304 4.086 4.350 0.065 0.000 0.270 1792 T C 1.779 176.491 174.700 0.021 0.000 1.068 1792 T CA 4.195 66.328 62.100 0.056 0.000 1.131 1792 T CB -0.730 68.150 68.868 0.020 0.000 0.871 1792 T HN 0.106 8.301 8.240 0.126 0.120 0.479 1793 Q N -0.652 119.151 119.800 0.005 0.000 2.135 1793 Q HA -0.331 4.000 4.340 -0.015 0.000 0.204 1793 Q C 2.411 178.409 176.000 -0.004 0.000 0.981 1793 Q CA 2.928 58.724 55.803 -0.012 0.000 0.856 1793 Q CB -1.111 27.610 28.738 -0.028 0.000 0.902 1793 Q HN 0.114 8.267 8.270 0.007 0.122 0.425 1794 E N -1.009 119.193 120.200 0.005 0.000 2.072 1794 E HA -0.190 4.161 4.350 0.002 0.000 0.190 1794 E C 1.944 178.558 176.600 0.023 0.000 0.982 1794 E CA 2.213 58.620 56.400 0.012 0.000 0.803 1794 E CB -0.364 29.350 29.700 0.023 0.000 0.755 1794 E HN -0.508 7.730 8.360 0.009 0.127 0.453 1795 A N -0.019 122.821 122.820 0.033 0.000 1.968 1795 A HA -0.053 4.493 4.320 0.027 -0.209 0.217 1795 A C 2.147 179.745 177.584 0.023 0.000 1.169 1795 A CA 2.318 54.373 52.037 0.030 0.000 0.638 1795 A CB -0.274 18.747 19.000 0.035 0.000 0.812 1795 A HN -0.516 7.660 8.150 0.044 0.000 0.446 1796 L N -1.632 119.602 121.223 0.018 0.000 2.191 1796 L HA -0.162 4.188 4.340 0.017 0.000 0.212 1796 L C 1.237 178.115 176.870 0.014 0.000 1.103 1796 L CA 2.594 57.441 54.840 0.013 0.000 0.769 1796 L CB -0.195 41.864 42.059 -0.000 0.000 0.908 1796 L HN 0.407 8.539 8.230 0.017 0.108 0.438 1797 E N -2.088 118.120 120.200 0.013 0.000 2.076 1797 E HA -0.277 4.081 4.350 0.013 0.000 0.190 1797 E C 2.593 179.203 176.600 0.017 0.000 0.979 1797 E CA 3.050 59.458 56.400 0.013 0.000 0.807 1797 E CB -0.631 29.075 29.700 0.009 0.000 0.761 1797 E HN -0.639 7.577 8.360 0.012 0.151 0.454 1798 E N 0.109 120.320 120.200 0.018 0.000 2.077 1798 E HA -0.297 4.064 4.350 0.018 0.000 0.193 1798 E C 2.445 179.059 176.600 0.023 0.000 0.989 1798 E CA 2.690 59.102 56.400 0.019 0.000 0.800 1798 E CB -0.262 29.449 29.700 0.018 0.000 0.746 1798 E HN -0.439 7.858 8.360 0.018 0.074 0.452 1799 A N -0.644 122.191 122.820 0.025 0.000 1.873 1799 A HA -0.212 4.127 4.320 0.031 0.000 0.215 1799 A C 1.754 179.360 177.584 0.037 0.000 1.186 1799 A CA 3.015 55.071 52.037 0.031 0.000 0.616 1799 A CB -0.408 18.611 19.000 0.032 0.000 0.823 1799 A HN 0.102 8.256 8.150 0.023 0.010 0.442 1800 V N -0.982 118.953 119.914 0.034 0.000 2.407 1800 V HA -0.455 3.694 4.120 0.049 0.000 0.248 1800 V C 1.323 177.442 176.094 0.041 0.000 1.055 1800 V CA 3.487 65.811 62.300 0.040 0.000 1.049 1800 V CB 0.214 32.057 31.823 0.033 0.000 0.662 1800 V HN -0.558 7.649 8.190 0.028 0.000 0.455 1801 Q N -1.948 117.872 119.800 0.033 0.000 2.245 1801 Q HA -0.230 4.129 4.340 0.031 0.000 0.201 1801 Q C 2.649 178.670 176.000 0.034 0.000 0.955 1801 Q CA 2.016 57.837 55.803 0.030 0.000 0.870 1801 Q CB -0.432 28.320 28.738 0.023 0.000 0.945 1801 Q HN -0.470 7.808 8.270 0.029 0.009 0.461 1802 M N 1.508 121.130 119.600 0.037 0.000 2.175 1802 M HA -0.353 4.147 4.480 0.035 0.000 0.264 1802 M C 1.754 178.088 176.300 0.056 0.000 1.063 1802 M CA 3.835 59.159 55.300 0.041 0.000 1.119 1802 M CB -0.019 32.604 32.600 0.037 0.000 1.377 1802 M HN -0.238 7.945 8.290 0.035 0.127 0.415 1803 M N -1.077 118.565 119.600 0.069 0.000 2.067 1803 M HA -0.443 4.109 4.480 0.121 0.000 0.260 1803 M C 2.029 178.378 176.300 0.083 0.000 1.069 1803 M CA 4.621 59.981 55.300 0.100 0.000 1.117 1803 M CB -0.086 32.588 32.600 0.124 0.000 1.334 1803 M HN -0.030 8.297 8.290 0.062 0.000 0.407 1804 T N 0.089 114.680 114.554 0.062 0.000 2.849 1804 T HA -0.474 3.904 4.350 0.047 0.000 0.270 1804 T C 1.506 176.227 174.700 0.035 0.000 1.066 1804 T CA 4.519 66.646 62.100 0.045 0.000 1.130 1804 T CB -0.411 68.479 68.868 0.036 0.000 0.864 1804 T HN -0.519 7.756 8.240 0.060 0.000 0.481 1805 E N 2.251 122.473 120.200 0.037 0.000 2.028 1805 E HA -0.314 4.050 4.350 0.022 0.000 0.191 1805 E C 1.841 178.460 176.600 0.032 0.000 0.988 1805 E CA 3.108 59.526 56.400 0.029 0.000 0.799 1805 E CB 0.034 29.751 29.700 0.028 0.000 0.755 1805 E HN -0.586 7.777 8.360 0.041 0.022 0.447 1806 A N -0.717 122.131 122.820 0.046 0.000 2.015 1806 A HA -0.187 4.157 4.320 0.040 0.000 0.219 1806 A C 2.191 179.800 177.584 0.042 0.000 1.163 1806 A CA 2.850 54.918 52.037 0.051 0.000 0.646 1806 A CB -0.704 18.343 19.000 0.078 0.000 0.806 1806 A HN -0.360 7.823 8.150 0.054 0.000 0.448 1807 V N -0.297 119.642 119.914 0.041 0.000 2.255 1807 V HA -0.684 3.441 4.120 0.008 0.000 0.247 1807 V C 2.159 178.256 176.094 0.005 0.000 1.051 1807 V CA 5.048 67.359 62.300 0.019 0.000 1.018 1807 V CB -0.169 31.667 31.823 0.022 0.000 0.641 1807 V HN 0.609 8.624 8.190 0.052 0.207 0.445 1808 E N -1.075 119.130 120.200 0.008 0.000 2.110 1808 E HA -0.428 3.921 4.350 -0.003 0.000 0.193 1808 E C 2.302 178.903 176.600 0.001 0.000 0.988 1808 E CA 3.220 59.621 56.400 0.002 0.000 0.804 1808 E CB -0.466 29.236 29.700 0.003 0.000 0.745 1808 E HN -0.464 7.905 8.360 0.015 0.000 0.458 1809 D N 0.135 120.539 120.400 0.007 0.000 2.078 1809 D HA -0.238 4.403 4.640 0.002 0.000 0.193 1809 D C 2.193 178.494 176.300 0.002 0.000 0.990 1809 D CA 3.010 57.014 54.000 0.006 0.000 0.827 1809 D CB 0.108 40.917 40.800 0.015 0.000 0.975 1809 D HN -0.421 7.854 8.370 0.013 0.103 0.451 1810 L N -0.859 120.367 121.223 0.006 0.000 2.046 1810 L HA -0.078 4.594 4.340 0.003 -0.330 0.208 1810 L C 1.922 178.787 176.870 -0.008 0.000 1.077 1810 L CA 2.815 57.655 54.840 0.001 0.000 0.747 1810 L CB 0.032 42.091 42.059 0.000 0.000 0.896 1810 L HN 0.259 8.383 8.230 0.012 0.112 0.432 1811 T N 1.789 116.338 114.554 -0.008 0.000 2.720 1811 T HA -0.491 3.861 4.350 0.003 0.000 0.268 1811 T C 1.660 176.349 174.700 -0.018 0.000 1.037 1811 T CA 5.564 67.661 62.100 -0.006 0.000 1.144 1811 T CB -0.404 68.460 68.868 -0.006 0.000 0.864 1811 T HN -0.110 8.126 8.240 -0.007 0.000 0.444 1812 T N 3.393 117.934 114.554 -0.021 0.000 2.622 1812 T HA -0.369 3.959 4.350 -0.036 0.000 0.266 1812 T C 1.784 176.451 174.700 -0.054 0.000 1.047 1812 T CA 5.432 67.511 62.100 -0.034 0.000 1.159 1812 T CB -0.561 68.292 68.868 -0.025 0.000 0.863 1812 T HN -0.140 8.087 8.240 -0.014 0.004 0.422 1813 T N 4.347 118.876 114.554 -0.043 0.000 2.720 1813 T HA -0.308 4.010 4.350 -0.053 0.000 0.268 1813 T C 2.103 176.755 174.700 -0.081 0.000 1.037 1813 T CA 4.727 66.797 62.100 -0.049 0.000 1.144 1813 T CB -0.422 68.432 68.868 -0.023 0.000 0.864 1813 T HN -0.740 7.483 8.240 -0.028 0.000 0.444 1814 L N 0.492 121.672 121.223 -0.072 0.000 2.017 1814 L HA -0.493 3.804 4.340 -0.070 0.000 0.208 1814 L C 2.056 178.705 176.870 -0.370 0.000 1.073 1814 L CA 3.446 58.230 54.840 -0.095 0.000 0.745 1814 L CB -0.613 41.460 42.059 0.024 0.000 0.894 1814 L HN 0.171 8.376 8.230 -0.042 0.000 0.432 1815 N N -1.506 117.016 118.700 -0.297 0.000 2.188 1815 N HA -0.227 3.958 4.740 -0.925 0.000 0.184 1815 N C 3.016 178.281 175.510 -0.407 0.000 1.018 1815 N CA 2.474 55.265 53.050 -0.432 0.000 0.858 1815 N CB 0.342 38.782 38.487 -0.079 0.000 0.989 1815 N HN 0.092 8.286 8.380 -0.134 0.106 0.426 1816 E N 0.283 120.342 120.200 -0.235 0.000 2.152 1816 E HA -0.155 4.113 4.350 -0.137 0.000 0.192 1816 E C 1.787 178.286 176.600 -0.169 0.000 0.983 1816 E CA 1.993 58.295 56.400 -0.162 0.000 0.818 1816 E CB -0.661 28.974 29.700 -0.108 0.000 0.758 1816 E HN 0.049 8.299 8.360 -0.183 0.000 0.467 1817 A N -0.960 121.740 122.820 -0.200 0.000 2.131 1817 A HA -0.359 3.985 4.320 -0.049 -0.054 0.220 1817 A C 0.779 178.299 177.584 -0.108 0.000 1.158 1817 A CA 2.383 54.347 52.037 -0.121 0.000 0.665 1817 A CB -1.054 17.889 19.000 -0.094 0.000 0.795 1817 A HN 0.247 8.145 8.150 -0.231 0.113 0.460 1818 A N -1.474 121.217 122.820 -0.215 0.000 1.892 1818 A HA -0.247 4.304 4.320 0.088 -0.179 0.218 1818 A C 1.753 179.342 177.584 0.008 0.000 1.188 1818 A CA 2.864 54.883 52.037 -0.031 0.000 0.631 1818 A CB -0.584 18.423 19.000 0.012 0.000 0.822 1818 A HN -0.501 7.345 8.150 -0.430 0.047 0.447 1819 S N -3.748 111.942 115.700 -0.015 0.000 2.505 1819 S HA 0.100 4.587 4.470 0.027 0.000 0.216 1819 S C 1.069 175.689 174.600 0.034 0.000 1.018 1819 S CA 1.459 59.666 58.200 0.012 0.000 0.911 1819 S CB 0.727 63.928 63.200 0.002 0.000 0.818 1819 S HN -0.480 7.798 8.310 -0.053 0.000 0.497 1820 A N 0.189 123.017 122.820 0.014 0.000 2.123 1820 A HA -0.076 4.279 4.320 0.058 0.000 0.214 1820 A C -0.593 177.110 177.584 0.199 0.000 1.152 1820 A CA 1.229 53.304 52.037 0.064 0.000 0.728 1820 A CB 0.205 19.184 19.000 -0.035 0.000 0.814 1820 A HN 0.307 8.251 8.150 -0.030 0.189 0.464 1821 A N -4.533 118.342 122.820 0.090 0.000 2.048 1821 A HA 0.237 4.606 4.320 0.082 0.000 0.197 1821 A C 0.653 178.261 177.584 0.040 0.000 1.486 1821 A CA -0.364 51.713 52.037 0.066 0.000 1.029 1821 A CB 2.029 21.052 19.000 0.038 0.000 1.101 1821 A HN -0.349 7.685 8.150 0.044 0.143 0.470 1822 G N 0.000 108.824 108.800 0.040 0.000 5.446 1822 G HA2 0.000 nan 3.960 nan 0.000 0.244 1822 G HA3 0.000 4.136 3.960 0.039 -0.152 0.244 1822 G CA 0.000 45.121 45.100 0.035 0.000 0.502 1822 G HN 0.000 8.313 8.290 0.038 0.000 0.925