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 3edu_1_A DATA FIRST_RESID 1690 DATA SEQUENCE GSLFQLKRET DDLEQWISEK ELVASSPEMG QDFDHVTLLR DKFRDFARET DATA SEQUENCE GAIGQERVDN VNAFIERLID AGHSEAATIA EWKDGLNEMW ADLLELIDTR DATA SEQUENCE MQLLAASYDL HRYFYTGAEI LGLIDEKHRE LPXXXXXXXX XXXXXHRVHT DATA SEQUENCE AFERELHLLG VQVQQFQDVA TRLQTAYAGE KAEAIQNKEQ EVSAAWQALL DATA SEQUENCE DACA 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 1690 G HA2 0.000 nan 3.960 nan 0.000 0.244 1690 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 1690 G C 0.000 174.983 174.900 0.139 0.000 0.946 1690 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 1691 S N 0.858 116.643 115.700 0.142 0.000 2.589 1691 S HA 0.438 4.905 4.470 -0.005 0.000 0.265 1691 S C 1.545 176.304 174.600 0.265 0.000 1.342 1691 S CA -0.139 58.184 58.200 0.206 0.000 1.005 1691 S CB 0.989 64.304 63.200 0.192 0.000 0.909 1691 S HN 0.299 nan 8.310 nan 0.000 0.555 1692 L N 0.436 121.826 121.223 0.277 0.000 2.141 1692 L HA 0.006 4.343 4.340 -0.005 0.000 0.209 1692 L C 2.250 179.327 176.870 0.347 0.000 1.094 1692 L CA 1.315 56.349 54.840 0.324 0.000 0.763 1692 L CB -0.587 41.628 42.059 0.260 0.000 0.908 1692 L HN 0.815 nan 8.230 nan 0.000 0.437 1693 F N 0.652 120.697 119.950 0.158 0.000 2.146 1693 F HA -0.207 4.316 4.527 -0.005 0.000 0.298 1693 F C 2.699 178.519 175.800 0.033 0.000 1.096 1693 F CA 1.376 59.428 58.000 0.088 0.000 1.275 1693 F CB -0.026 39.010 39.000 0.060 0.000 1.008 1693 F HN 0.020 nan 8.300 nan 0.000 0.480 1694 Q N 0.258 120.144 119.800 0.143 0.000 2.079 1694 Q HA -0.158 4.178 4.340 -0.005 0.000 0.200 1694 Q C 2.337 178.285 176.000 -0.086 0.000 0.974 1694 Q CA 1.416 57.217 55.803 -0.003 0.000 0.840 1694 Q CB -1.085 27.689 28.738 0.060 0.000 0.898 1694 Q HN 0.491 nan 8.270 nan 0.000 0.430 1695 L N 1.525 122.770 121.223 0.036 0.000 2.013 1695 L HA -0.245 4.092 4.340 -0.005 0.000 0.212 1695 L C 2.277 179.072 176.870 -0.125 0.000 1.073 1695 L CA 2.055 56.944 54.840 0.083 0.000 0.753 1695 L CB -0.601 41.683 42.059 0.374 0.000 0.890 1695 L HN 0.041 nan 8.230 nan 0.000 0.432 1696 K N -0.138 120.075 120.400 -0.312 0.000 2.032 1696 K HA -0.242 4.075 4.320 -0.005 0.000 0.209 1696 K C 2.327 178.572 176.600 -0.592 0.000 1.048 1696 K CA 1.836 57.644 56.287 -0.798 0.000 0.927 1696 K CB -0.451 31.506 32.500 -0.904 0.000 0.712 1696 K HN 0.253 nan 8.250 nan 0.000 0.441 1697 R N 1.298 121.459 120.500 -0.565 0.000 2.083 1697 R HA -0.122 4.214 4.340 -0.005 0.000 0.237 1697 R C 2.154 178.284 176.300 -0.284 0.000 1.137 1697 R CA 2.350 58.178 56.100 -0.453 0.000 0.951 1697 R CB -0.769 29.239 30.300 -0.487 0.000 0.851 1697 R HN 0.557 nan 8.270 nan 0.000 0.434 1698 E N -1.052 119.007 120.200 -0.235 0.000 2.085 1698 E HA -0.181 4.166 4.350 -0.005 0.000 0.194 1698 E C 1.375 177.872 176.600 -0.172 0.000 0.994 1698 E CA 1.948 58.243 56.400 -0.174 0.000 0.801 1698 E CB -0.151 29.465 29.700 -0.141 0.000 0.743 1698 E HN 0.425 nan 8.360 nan 0.000 0.453 1699 T N 0.908 115.342 114.554 -0.200 0.000 2.746 1699 T HA -0.131 4.216 4.350 -0.005 0.000 0.267 1699 T C 1.222 175.816 174.700 -0.177 0.000 1.039 1699 T CA 1.344 63.335 62.100 -0.181 0.000 1.142 1699 T CB -0.289 68.441 68.868 -0.229 0.000 0.866 1699 T HN 0.212 nan 8.240 nan 0.000 0.444 1700 D N 1.145 121.405 120.400 -0.233 0.000 2.097 1700 D HA -0.077 4.560 4.640 -0.005 0.000 0.197 1700 D C 2.009 178.251 176.300 -0.096 0.000 0.984 1700 D CA 0.926 54.818 54.000 -0.180 0.000 0.826 1700 D CB -0.368 40.297 40.800 -0.224 0.000 0.973 1700 D HN 0.297 nan 8.370 nan 0.000 0.460 1701 D N 0.217 120.557 120.400 -0.100 0.000 2.117 1701 D HA -0.127 4.510 4.640 -0.005 0.000 0.197 1701 D C 2.171 178.480 176.300 0.015 0.000 0.987 1701 D CA 0.349 54.324 54.000 -0.042 0.000 0.829 1701 D CB -0.312 40.446 40.800 -0.070 0.000 0.961 1701 D HN 0.146 nan 8.370 nan 0.000 0.460 1702 L N 1.351 122.553 121.223 -0.034 0.000 2.056 1702 L HA -0.119 4.218 4.340 -0.005 0.000 0.207 1702 L C 1.887 178.845 176.870 0.147 0.000 1.078 1702 L CA 1.732 56.575 54.840 0.006 0.000 0.749 1702 L CB -0.460 41.533 42.059 -0.109 0.000 0.901 1702 L HN -0.064 nan 8.230 nan 0.000 0.433 1703 E N -1.016 119.227 120.200 0.073 0.000 2.110 1703 E HA -0.290 4.057 4.350 -0.005 0.000 0.193 1703 E C 2.084 178.757 176.600 0.120 0.000 0.988 1703 E CA 1.138 57.597 56.400 0.099 0.000 0.804 1703 E CB -0.096 29.626 29.700 0.036 0.000 0.745 1703 E HN 0.527 nan 8.360 nan 0.000 0.458 1704 Q N 0.283 120.143 119.800 0.100 0.000 2.084 1704 Q HA -0.203 4.134 4.340 -0.005 0.000 0.202 1704 Q C 1.668 177.764 176.000 0.160 0.000 0.978 1704 Q CA 1.707 57.569 55.803 0.098 0.000 0.844 1704 Q CB -0.527 28.252 28.738 0.069 0.000 0.898 1704 Q HN 0.446 nan 8.270 nan 0.000 0.426 1705 W N 0.335 121.641 121.300 0.010 0.000 2.335 1705 W HA -0.139 4.518 4.660 -0.005 0.000 0.311 1705 W C 1.633 178.195 176.519 0.071 0.000 1.213 1705 W CA 1.851 59.214 57.345 0.029 0.000 1.274 1705 W CB -0.275 29.187 29.460 0.003 0.000 1.148 1705 W HN 0.206 nan 8.180 nan 0.000 0.498 1706 I N 0.248 121.004 120.570 0.309 0.000 2.208 1706 I HA -0.389 3.778 4.170 -0.005 0.000 0.245 1706 I C 2.490 178.627 176.117 0.034 0.000 1.097 1706 I CA 1.815 63.217 61.300 0.170 0.000 1.363 1706 I CB -0.878 37.315 38.000 0.321 0.000 1.051 1706 I HN -0.114 nan 8.210 nan 0.000 0.413 1707 S N 0.224 115.957 115.700 0.055 0.000 2.399 1707 S HA -0.204 4.263 4.470 -0.005 0.000 0.231 1707 S C 1.809 176.400 174.600 -0.014 0.000 1.022 1707 S CA 1.342 59.558 58.200 0.027 0.000 0.983 1707 S CB -0.296 62.925 63.200 0.035 0.000 0.803 1707 S HN 0.501 nan 8.310 nan 0.000 0.480 1708 E N 0.869 121.037 120.200 -0.055 0.000 2.072 1708 E HA -0.065 4.282 4.350 -0.005 0.000 0.191 1708 E C 2.038 178.580 176.600 -0.097 0.000 0.985 1708 E CA 0.646 56.997 56.400 -0.081 0.000 0.801 1708 E CB -0.001 29.637 29.700 -0.103 0.000 0.750 1708 E HN 0.189 nan 8.360 nan 0.000 0.452 1709 K N 1.134 121.425 120.400 -0.182 0.000 2.147 1709 K HA -0.133 4.184 4.320 -0.005 0.000 0.205 1709 K C 1.876 178.529 176.600 0.088 0.000 1.049 1709 K CA 1.015 57.276 56.287 -0.043 0.000 0.936 1709 K CB -0.135 32.184 32.500 -0.301 0.000 0.722 1709 K HN 0.257 nan 8.250 nan 0.000 0.446 1710 E N 0.506 120.720 120.200 0.023 0.000 2.110 1710 E HA -0.161 4.186 4.350 -0.005 0.000 0.193 1710 E C 1.909 178.522 176.600 0.021 0.000 0.988 1710 E CA 0.483 56.907 56.400 0.040 0.000 0.804 1710 E CB -0.069 29.647 29.700 0.028 0.000 0.745 1710 E HN 0.001 nan 8.360 nan 0.000 0.458 1711 L N 0.447 121.667 121.223 -0.005 0.000 2.046 1711 L HA -0.180 4.157 4.340 -0.005 0.000 0.208 1711 L C 2.239 179.078 176.870 -0.051 0.000 1.077 1711 L CA 1.372 56.197 54.840 -0.025 0.000 0.747 1711 L CB -0.426 41.615 42.059 -0.030 0.000 0.896 1711 L HN -0.004 nan 8.230 nan 0.000 0.432 1712 V N -0.679 119.186 119.914 -0.082 0.000 2.307 1712 V HA -0.218 3.899 4.120 -0.005 0.000 0.245 1712 V C 2.604 178.618 176.094 -0.133 0.000 1.045 1712 V CA 1.470 63.644 62.300 -0.211 0.000 1.024 1712 V CB -1.254 30.253 31.823 -0.526 0.000 0.651 1712 V HN 0.515 nan 8.190 nan 0.000 0.449 1713 A N -0.786 122.058 122.820 0.040 0.000 2.121 1713 A HA -0.119 4.198 4.320 -0.005 0.000 0.218 1713 A C 2.327 179.925 177.584 0.023 0.000 1.154 1713 A CA 1.734 53.899 52.037 0.214 0.000 0.679 1713 A CB -0.395 18.809 19.000 0.341 0.000 0.795 1713 A HN 0.479 nan 8.150 nan 0.000 0.458 1714 S N -0.328 115.361 115.700 -0.018 0.000 2.558 1714 S HA 0.086 4.553 4.470 -0.005 0.000 0.217 1714 S C 1.041 175.596 174.600 -0.075 0.000 0.975 1714 S CA 0.364 58.538 58.200 -0.043 0.000 0.912 1714 S CB -0.247 62.938 63.200 -0.025 0.000 0.776 1714 S HN 0.588 nan 8.310 nan 0.000 0.526 1715 S N 2.769 118.408 115.700 -0.101 0.000 2.573 1715 S HA 0.032 4.498 4.470 -0.005 0.000 0.297 1715 S C -1.733 172.800 174.600 -0.110 0.000 1.280 1715 S CA -0.774 57.364 58.200 -0.104 0.000 1.061 1715 S CB 0.671 63.795 63.200 -0.125 0.000 0.812 1715 S HN 0.128 nan 8.310 nan 0.000 0.500 1716 P HA 0.182 nan 4.420 nan 0.000 0.257 1716 P C -0.250 177.016 177.300 -0.058 0.000 1.241 1716 P CA 0.003 63.066 63.100 -0.061 0.000 0.816 1716 P CB 0.072 31.752 31.700 -0.034 0.000 1.150 1717 E N 0.807 120.968 120.200 -0.066 0.000 2.292 1717 E HA 0.076 4.423 4.350 -0.005 0.000 0.265 1717 E C 0.662 177.195 176.600 -0.112 0.000 1.093 1717 E CA 0.412 56.776 56.400 -0.060 0.000 0.922 1717 E CB -0.038 29.641 29.700 -0.034 0.000 1.001 1717 E HN -0.071 nan 8.360 nan 0.000 0.444 1718 M N 2.702 122.249 119.600 -0.089 0.000 2.333 1718 M HA 0.305 4.782 4.480 -0.005 0.000 0.257 1718 M C 0.483 176.701 176.300 -0.138 0.000 1.078 1718 M CA 0.635 55.886 55.300 -0.081 0.000 1.005 1718 M CB -0.390 32.216 32.600 0.010 0.000 1.444 1718 M HN 0.581 nan 8.290 nan 0.000 0.496 1719 G N 1.265 109.889 108.800 -0.292 0.000 2.788 1719 G HA2 -0.110 3.847 3.960 -0.005 0.000 0.686 1719 G HA3 -0.110 3.847 3.960 -0.005 0.000 0.686 1719 G C -0.220 174.628 174.900 -0.087 0.000 1.147 1719 G CA -0.694 44.042 45.100 -0.606 0.000 0.755 1719 G HN 0.245 nan 8.290 nan 0.000 0.634 1720 Q N 0.106 120.024 119.800 0.197 0.000 2.246 1720 Q HA 0.223 4.559 4.340 -0.005 0.000 0.222 1720 Q C 0.710 176.818 176.000 0.180 0.000 0.851 1720 Q CA 1.567 57.518 55.803 0.247 0.000 0.945 1720 Q CB 1.028 29.903 28.738 0.228 0.000 1.122 1720 Q HN 0.988 nan 8.270 nan 0.000 0.508 1721 D N -2.900 117.473 120.400 -0.045 0.000 2.677 1721 D HA 0.085 4.722 4.640 -0.005 0.000 0.298 1721 D C 0.134 176.328 176.300 -0.177 0.000 1.250 1721 D CA -0.812 53.177 54.000 -0.018 0.000 0.888 1721 D CB -0.167 40.704 40.800 0.118 0.000 1.397 1721 D HN -0.230 nan 8.370 nan 0.000 0.461 1722 F N 0.600 120.486 119.950 -0.107 0.000 2.171 1722 F HA -0.016 4.507 4.527 -0.006 0.000 0.300 1722 F C 1.589 177.310 175.800 -0.133 0.000 1.090 1722 F CA 1.549 59.466 58.000 -0.139 0.000 1.293 1722 F CB -0.434 38.520 39.000 -0.076 0.000 1.013 1722 F HN 0.583 nan 8.300 nan 0.000 0.486 1723 D N -1.369 118.975 120.400 -0.093 0.000 2.084 1723 D HA -0.226 4.411 4.640 -0.005 0.000 0.196 1723 D C 2.405 178.682 176.300 -0.039 0.000 0.985 1723 D CA 1.729 55.645 54.000 -0.139 0.000 0.826 1723 D CB -0.496 40.274 40.800 -0.050 0.000 0.978 1723 D HN 0.505 nan 8.370 nan 0.000 0.456 1724 H N -0.693 118.308 119.070 -0.114 0.000 2.289 1724 H HA -0.141 4.412 4.556 -0.006 0.000 0.296 1724 H C 2.195 177.471 175.328 -0.087 0.000 1.091 1724 H CA 1.454 57.445 56.048 -0.095 0.000 1.274 1724 H CB -0.137 29.565 29.762 -0.100 0.000 1.364 1724 H HN 0.121 nan 8.280 nan 0.000 0.490 1725 V N 0.394 120.216 119.914 -0.154 0.000 2.515 1725 V HA -0.191 3.926 4.120 -0.005 0.000 0.250 1725 V C 2.143 178.268 176.094 0.052 0.000 1.058 1725 V CA 2.297 64.525 62.300 -0.122 0.000 1.064 1725 V CB -0.491 31.288 31.823 -0.072 0.000 0.675 1725 V HN 0.556 nan 8.190 nan 0.000 0.461 1726 T N 0.718 115.284 114.554 0.019 0.000 2.746 1726 T HA -0.153 4.194 4.350 -0.005 0.000 0.267 1726 T C 1.735 176.454 174.700 0.032 0.000 1.039 1726 T CA 1.940 64.074 62.100 0.057 0.000 1.142 1726 T CB -0.261 68.502 68.868 -0.176 0.000 0.866 1726 T HN 0.319 nan 8.240 nan 0.000 0.444 1727 L N 0.531 121.763 121.223 0.015 0.000 2.027 1727 L HA 0.104 4.440 4.340 -0.005 0.000 0.206 1727 L C 2.346 179.245 176.870 0.049 0.000 1.074 1727 L CA 1.343 56.204 54.840 0.035 0.000 0.745 1727 L CB -0.899 41.195 42.059 0.059 0.000 0.898 1727 L HN 0.252 nan 8.230 nan 0.000 0.433 1728 L N -1.017 120.225 121.223 0.031 0.000 2.083 1728 L HA -0.231 4.106 4.340 -0.005 0.000 0.209 1728 L C 2.778 179.688 176.870 0.067 0.000 1.083 1728 L CA 1.240 56.090 54.840 0.016 0.000 0.752 1728 L CB -0.500 41.501 42.059 -0.097 0.000 0.899 1728 L HN 0.289 nan 8.230 nan 0.000 0.433 1729 R N 0.184 120.725 120.500 0.068 0.000 2.075 1729 R HA -0.158 4.178 4.340 -0.005 0.000 0.232 1729 R C 1.776 178.134 176.300 0.098 0.000 1.126 1729 R CA 1.812 57.966 56.100 0.090 0.000 0.963 1729 R CB -0.082 30.259 30.300 0.068 0.000 0.858 1729 R HN 0.313 nan 8.270 nan 0.000 0.435 1730 D N 0.381 120.817 120.400 0.060 0.000 2.144 1730 D HA -0.133 4.504 4.640 -0.005 0.000 0.200 1730 D C 1.678 178.021 176.300 0.071 0.000 0.978 1730 D CA 0.985 55.011 54.000 0.043 0.000 0.833 1730 D CB -0.100 40.711 40.800 0.018 0.000 0.961 1730 D HN 0.207 nan 8.370 nan 0.000 0.470 1731 K N -0.329 120.125 120.400 0.090 0.000 2.026 1731 K HA -0.135 4.181 4.320 -0.005 0.000 0.208 1731 K C 2.070 178.765 176.600 0.158 0.000 1.048 1731 K CA 0.677 57.026 56.287 0.104 0.000 0.929 1731 K CB -0.269 32.286 32.500 0.093 0.000 0.713 1731 K HN 0.037 nan 8.250 nan 0.000 0.439 1732 F N 2.100 122.076 119.950 0.043 0.000 2.171 1732 F HA -0.170 4.354 4.527 -0.004 0.000 0.300 1732 F C 2.257 178.140 175.800 0.138 0.000 1.090 1732 F CA 1.279 59.333 58.000 0.089 0.000 1.293 1732 F CB 0.046 39.068 39.000 0.036 0.000 1.013 1732 F HN -0.017 nan 8.300 nan 0.000 0.486 1733 R N 0.502 121.069 120.500 0.112 0.000 2.083 1733 R HA -0.164 4.173 4.340 -0.005 0.000 0.237 1733 R C 1.834 178.107 176.300 -0.046 0.000 1.137 1733 R CA 1.690 57.799 56.100 0.016 0.000 0.951 1733 R CB -1.228 29.092 30.300 0.033 0.000 0.851 1733 R HN 0.321 nan 8.270 nan 0.000 0.434 1734 D N 0.264 120.661 120.400 -0.005 0.000 2.104 1734 D HA -0.172 4.464 4.640 -0.005 0.000 0.194 1734 D C 1.699 177.978 176.300 -0.036 0.000 0.994 1734 D CA 0.959 54.955 54.000 -0.006 0.000 0.830 1734 D CB -0.506 40.313 40.800 0.032 0.000 0.959 1734 D HN 0.126 nan 8.370 nan 0.000 0.452 1735 F N 1.679 121.510 119.950 -0.199 0.000 2.095 1735 F HA -0.205 4.319 4.527 -0.005 0.000 0.298 1735 F C 2.197 177.797 175.800 -0.333 0.000 1.104 1735 F CA 1.877 59.719 58.000 -0.262 0.000 1.232 1735 F CB -0.302 38.495 39.000 -0.339 0.000 0.987 1735 F HN -0.051 nan 8.300 nan 0.000 0.475 1736 A N 0.617 123.140 122.820 -0.496 0.000 1.902 1736 A HA -0.199 4.118 4.320 -0.005 0.000 0.217 1736 A C 2.403 179.805 177.584 -0.303 0.000 1.181 1736 A CA 1.746 53.488 52.037 -0.492 0.000 0.623 1736 A CB -0.903 17.880 19.000 -0.361 0.000 0.818 1736 A HN 0.513 nan 8.150 nan 0.000 0.443 1737 R N -0.128 120.254 120.500 -0.198 0.000 2.070 1737 R HA -0.156 4.181 4.340 -0.005 0.000 0.233 1737 R C 2.087 178.330 176.300 -0.095 0.000 1.137 1737 R CA 1.832 57.868 56.100 -0.107 0.000 0.945 1737 R CB -0.317 29.944 30.300 -0.065 0.000 0.845 1737 R HN 0.679 nan 8.270 nan 0.000 0.430 1738 E N -0.657 119.471 120.200 -0.119 0.000 2.051 1738 E HA -0.146 4.201 4.350 -0.005 0.000 0.192 1738 E C 1.956 178.524 176.600 -0.054 0.000 0.991 1738 E CA 1.863 58.220 56.400 -0.072 0.000 0.799 1738 E CB -0.095 29.571 29.700 -0.057 0.000 0.748 1738 E HN 0.388 nan 8.360 nan 0.000 0.449 1739 T N 0.378 114.799 114.554 -0.222 0.000 2.746 1739 T HA -0.140 4.206 4.350 -0.005 0.000 0.267 1739 T C 1.931 176.748 174.700 0.195 0.000 1.039 1739 T CA 1.261 63.289 62.100 -0.120 0.000 1.142 1739 T CB -0.627 67.831 68.868 -0.685 0.000 0.866 1739 T HN 0.388 nan 8.240 nan 0.000 0.444 1740 G N 1.109 109.951 108.800 0.070 0.000 2.421 1740 G HA2 -0.065 3.892 3.960 -0.005 0.000 0.216 1740 G HA3 -0.065 3.892 3.960 -0.005 0.000 0.216 1740 G C 1.823 176.869 174.900 0.244 0.000 1.171 1740 G CA 0.968 46.200 45.100 0.221 0.000 0.775 1740 G HN 0.586 nan 8.290 nan 0.000 0.543 1741 A N 0.686 123.569 122.820 0.105 0.000 1.855 1741 A HA 0.105 4.421 4.320 -0.005 0.000 0.215 1741 A C 2.429 180.024 177.584 0.019 0.000 1.191 1741 A CA 1.301 53.371 52.037 0.055 0.000 0.613 1741 A CB -0.360 18.649 19.000 0.016 0.000 0.829 1741 A HN 0.359 nan 8.150 nan 0.000 0.442 1742 I N -0.316 120.266 120.570 0.019 0.000 2.252 1742 I HA -0.176 3.991 4.170 -0.005 0.000 0.245 1742 I C 2.701 178.681 176.117 -0.229 0.000 1.102 1742 I CA 1.131 62.377 61.300 -0.089 0.000 1.385 1742 I CB -0.675 37.296 38.000 -0.048 0.000 1.064 1742 I HN 0.402 nan 8.210 nan 0.000 0.414 1743 G N -0.018 108.747 108.800 -0.059 0.000 2.418 1743 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.217 1743 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.217 1743 G C 1.580 176.033 174.900 -0.745 0.000 1.158 1743 G CA 0.660 45.548 45.100 -0.354 0.000 0.771 1743 G HN 0.270 nan 8.290 nan 0.000 0.545 1744 Q N 0.465 120.074 119.800 -0.318 0.000 2.119 1744 Q HA -0.042 4.295 4.340 -0.005 0.000 0.201 1744 Q C 2.296 178.145 176.000 -0.253 0.000 0.972 1744 Q CA 1.929 57.593 55.803 -0.233 0.000 0.847 1744 Q CB -0.358 28.470 28.738 0.151 0.000 0.903 1744 Q HN 0.676 nan 8.270 nan 0.000 0.433 1745 E N -0.524 119.554 120.200 -0.203 0.000 2.077 1745 E HA -0.211 4.136 4.350 -0.005 0.000 0.193 1745 E C 1.936 178.394 176.600 -0.237 0.000 0.989 1745 E CA 0.874 57.167 56.400 -0.179 0.000 0.800 1745 E CB 0.032 29.642 29.700 -0.150 0.000 0.746 1745 E HN 0.284 nan 8.360 nan 0.000 0.452 1746 R N 0.052 120.349 120.500 -0.339 0.000 2.081 1746 R HA -0.100 4.237 4.340 -0.005 0.000 0.235 1746 R C 2.459 178.562 176.300 -0.327 0.000 1.131 1746 R CA 1.298 57.186 56.100 -0.354 0.000 0.960 1746 R CB -0.329 29.683 30.300 -0.479 0.000 0.856 1746 R HN 0.170 nan 8.270 nan 0.000 0.436 1747 V N 1.627 121.276 119.914 -0.442 0.000 2.358 1747 V HA -0.212 3.904 4.120 -0.005 0.000 0.246 1747 V C 1.627 177.591 176.094 -0.217 0.000 1.047 1747 V CA 1.866 63.931 62.300 -0.393 0.000 1.035 1747 V CB -0.454 30.946 31.823 -0.705 0.000 0.658 1747 V HN 0.205 nan 8.190 nan 0.000 0.452 1748 D N 0.356 120.640 120.400 -0.193 0.000 2.123 1748 D HA -0.168 4.469 4.640 -0.005 0.000 0.196 1748 D C 2.037 178.299 176.300 -0.064 0.000 0.992 1748 D CA 1.657 55.599 54.000 -0.096 0.000 0.833 1748 D CB -0.505 40.248 40.800 -0.078 0.000 0.954 1748 D HN 0.563 nan 8.370 nan 0.000 0.455 1749 N N -0.271 118.376 118.700 -0.088 0.000 2.120 1749 N HA -0.104 4.633 4.740 -0.005 0.000 0.188 1749 N C 1.876 177.383 175.510 -0.004 0.000 1.024 1749 N CA 0.588 53.605 53.050 -0.055 0.000 0.852 1749 N CB 0.189 38.618 38.487 -0.098 0.000 1.003 1749 N HN -0.030 nan 8.380 nan 0.000 0.424 1750 V N 1.646 121.543 119.914 -0.028 0.000 2.307 1750 V HA -0.206 3.911 4.120 -0.005 0.000 0.245 1750 V C 1.955 178.092 176.094 0.072 0.000 1.045 1750 V CA 1.417 63.740 62.300 0.039 0.000 1.024 1750 V CB -0.548 31.271 31.823 -0.006 0.000 0.651 1750 V HN 0.379 nan 8.190 nan 0.000 0.449 1751 N N 0.346 119.058 118.700 0.021 0.000 2.069 1751 N HA -0.206 4.531 4.740 -0.005 0.000 0.191 1751 N C 1.968 177.498 175.510 0.035 0.000 1.031 1751 N CA 1.741 54.806 53.050 0.024 0.000 0.852 1751 N CB -0.205 38.286 38.487 0.007 0.000 1.018 1751 N HN 0.492 nan 8.380 nan 0.000 0.423 1752 A N 1.051 123.897 122.820 0.044 0.000 1.883 1752 A HA -0.185 4.132 4.320 -0.005 0.000 0.217 1752 A C 2.068 179.715 177.584 0.104 0.000 1.186 1752 A CA 1.225 53.297 52.037 0.058 0.000 0.624 1752 A CB -1.076 17.956 19.000 0.052 0.000 0.822 1752 A HN 0.411 nan 8.150 nan 0.000 0.444 1753 F N 0.223 120.162 119.950 -0.019 0.000 2.146 1753 F HA -0.100 4.423 4.527 -0.006 0.000 0.298 1753 F C 2.023 177.816 175.800 -0.012 0.000 1.096 1753 F CA 1.559 59.552 58.000 -0.013 0.000 1.275 1753 F CB -0.077 38.916 39.000 -0.012 0.000 1.008 1753 F HN 0.167 nan 8.300 nan 0.000 0.480 1754 I N 0.423 120.935 120.570 -0.096 0.000 2.226 1754 I HA -0.281 3.886 4.170 -0.005 0.000 0.245 1754 I C 2.161 178.167 176.117 -0.186 0.000 1.100 1754 I CA 1.616 62.794 61.300 -0.204 0.000 1.374 1754 I CB -0.543 37.426 38.000 -0.051 0.000 1.057 1754 I HN 0.217 nan 8.210 nan 0.000 0.413 1755 E N 0.568 120.713 120.200 -0.093 0.000 2.077 1755 E HA -0.219 4.128 4.350 -0.005 0.000 0.193 1755 E C 2.347 178.896 176.600 -0.085 0.000 0.989 1755 E CA 1.011 57.370 56.400 -0.069 0.000 0.800 1755 E CB -0.066 29.617 29.700 -0.027 0.000 0.746 1755 E HN 0.414 nan 8.360 nan 0.000 0.452 1756 R N 0.431 120.876 120.500 -0.092 0.000 2.081 1756 R HA -0.114 4.223 4.340 -0.005 0.000 0.235 1756 R C 2.499 178.720 176.300 -0.131 0.000 1.131 1756 R CA 1.014 57.066 56.100 -0.080 0.000 0.960 1756 R CB -0.368 29.916 30.300 -0.027 0.000 0.856 1756 R HN 0.198 nan 8.270 nan 0.000 0.436 1757 L N 0.364 121.428 121.223 -0.265 0.000 2.046 1757 L HA -0.188 4.148 4.340 -0.005 0.000 0.208 1757 L C 2.407 179.207 176.870 -0.118 0.000 1.077 1757 L CA 1.264 55.957 54.840 -0.244 0.000 0.747 1757 L CB -0.384 41.389 42.059 -0.478 0.000 0.896 1757 L HN 0.191 nan 8.230 nan 0.000 0.432 1758 I N -0.295 120.194 120.570 -0.135 0.000 2.202 1758 I HA -0.283 3.884 4.170 -0.005 0.000 0.242 1758 I C 2.134 178.220 176.117 -0.051 0.000 1.091 1758 I CA 1.137 62.387 61.300 -0.083 0.000 1.368 1758 I CB -0.387 37.560 38.000 -0.089 0.000 1.058 1758 I HN 0.233 nan 8.210 nan 0.000 0.410 1759 D N 1.271 121.640 120.400 -0.051 0.000 2.133 1759 D HA -0.196 4.441 4.640 -0.005 0.000 0.195 1759 D C 2.019 178.304 176.300 -0.025 0.000 0.997 1759 D CA 1.692 55.672 54.000 -0.033 0.000 0.840 1759 D CB -0.191 40.592 40.800 -0.028 0.000 0.947 1759 D HN 0.368 nan 8.370 nan 0.000 0.452 1760 A N -0.479 122.325 122.820 -0.025 0.000 2.235 1760 A HA 0.381 4.697 4.320 -0.005 0.000 0.208 1760 A C 1.626 179.202 177.584 -0.014 0.000 1.172 1760 A CA 1.025 53.053 52.037 -0.015 0.000 0.786 1760 A CB -0.418 18.578 19.000 -0.008 0.000 0.804 1760 A HN 0.275 nan 8.150 nan 0.000 0.479 1761 G N -0.765 108.028 108.800 -0.013 0.000 2.176 1761 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.252 1761 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.252 1761 G C 0.087 174.981 174.900 -0.009 0.000 1.024 1761 G CA 0.273 45.364 45.100 -0.016 0.000 0.755 1761 G HN 0.844 nan 8.290 nan 0.000 0.507 1762 H N 1.202 120.223 119.070 -0.082 0.000 3.064 1762 H HA 0.212 4.765 4.556 -0.005 0.000 0.329 1762 H C 2.053 177.330 175.328 -0.086 0.000 1.020 1762 H CA 1.136 57.132 56.048 -0.088 0.000 1.402 1762 H CB 0.917 30.605 29.762 -0.123 0.000 1.379 1762 H HN 0.436 nan 8.280 nan 0.000 0.594 1763 S N 3.291 118.945 115.700 -0.077 0.000 2.442 1763 S HA -0.108 4.359 4.470 -0.005 0.000 0.236 1763 S C 0.881 175.532 174.600 0.085 0.000 1.007 1763 S CA 1.006 59.203 58.200 -0.006 0.000 0.965 1763 S CB 0.181 63.336 63.200 -0.076 0.000 0.773 1763 S HN 0.662 nan 8.310 nan 0.000 0.504 1764 E N 1.036 121.406 120.200 0.284 0.000 2.394 1764 E HA 0.425 4.771 4.350 -0.005 0.000 0.191 1764 E C 1.680 178.194 176.600 -0.144 0.000 1.044 1764 E CA 0.454 56.865 56.400 0.018 0.000 0.939 1764 E CB -0.013 29.652 29.700 -0.058 0.000 1.089 1764 E HN 0.628 nan 8.360 nan 0.000 0.456 1765 A N 1.429 124.204 122.820 -0.076 0.000 1.948 1765 A HA -0.218 4.098 4.320 -0.005 0.000 0.220 1765 A C 2.355 179.838 177.584 -0.168 0.000 1.177 1765 A CA 1.966 53.923 52.037 -0.133 0.000 0.636 1765 A CB -0.313 18.645 19.000 -0.070 0.000 0.815 1765 A HN 0.325 nan 8.150 nan 0.000 0.449 1766 A N -1.723 121.013 122.820 -0.141 0.000 1.877 1766 A HA -0.110 4.206 4.320 -0.005 0.000 0.216 1766 A C 2.390 179.847 177.584 -0.213 0.000 1.186 1766 A CA 2.393 54.349 52.037 -0.135 0.000 0.620 1766 A CB -1.304 17.642 19.000 -0.091 0.000 0.822 1766 A HN 0.455 nan 8.150 nan 0.000 0.443 1767 T N 0.350 114.723 114.554 -0.302 0.000 2.746 1767 T HA -0.112 4.234 4.350 -0.005 0.000 0.267 1767 T C 1.791 175.953 174.700 -0.897 0.000 1.039 1767 T CA 1.655 63.454 62.100 -0.503 0.000 1.142 1767 T CB -0.645 67.918 68.868 -0.507 0.000 0.866 1767 T HN 0.559 nan 8.240 nan 0.000 0.444 1768 I N -0.268 119.817 120.570 -0.808 0.000 2.439 1768 I HA 0.152 4.319 4.170 -0.005 0.000 0.251 1768 I C 2.666 178.607 176.117 -0.294 0.000 1.139 1768 I CA 1.197 62.053 61.300 -0.740 0.000 1.438 1768 I CB -0.784 36.890 38.000 -0.543 0.000 1.085 1768 I HN 0.140 nan 8.210 nan 0.000 0.427 1769 A N 1.496 124.181 122.820 -0.225 0.000 1.933 1769 A HA -0.227 4.090 4.320 -0.005 0.000 0.218 1769 A C 2.383 179.945 177.584 -0.036 0.000 1.175 1769 A CA 2.193 54.171 52.037 -0.098 0.000 0.628 1769 A CB -0.891 18.058 19.000 -0.086 0.000 0.814 1769 A HN 0.562 nan 8.150 nan 0.000 0.444 1770 E N -0.982 119.178 120.200 -0.067 0.000 2.072 1770 E HA -0.206 4.141 4.350 -0.005 0.000 0.191 1770 E C 1.740 178.452 176.600 0.187 0.000 0.985 1770 E CA 1.441 57.863 56.400 0.038 0.000 0.801 1770 E CB -0.631 29.085 29.700 0.027 0.000 0.750 1770 E HN 0.792 nan 8.360 nan 0.000 0.452 1771 W N 1.334 122.627 121.300 -0.012 0.000 2.338 1771 W HA 0.039 4.696 4.660 -0.005 0.000 0.304 1771 W C 2.572 179.087 176.519 -0.006 0.000 1.212 1771 W CA 1.230 58.568 57.345 -0.012 0.000 1.264 1771 W CB -1.188 28.257 29.460 -0.024 0.000 1.142 1771 W HN 0.352 nan 8.180 nan 0.000 0.512 1772 K N 0.308 120.843 120.400 0.225 0.000 2.025 1772 K HA -0.174 4.143 4.320 -0.005 0.000 0.207 1772 K C 1.595 178.258 176.600 0.104 0.000 1.049 1772 K CA 1.922 58.286 56.287 0.127 0.000 0.933 1772 K CB -0.312 32.230 32.500 0.069 0.000 0.714 1772 K HN -0.130 nan 8.250 nan 0.000 0.438 1773 D N -0.052 120.405 120.400 0.094 0.000 2.104 1773 D HA -0.133 4.504 4.640 -0.005 0.000 0.194 1773 D C 1.870 178.226 176.300 0.095 0.000 0.994 1773 D CA 1.534 55.583 54.000 0.082 0.000 0.830 1773 D CB -0.615 40.223 40.800 0.063 0.000 0.959 1773 D HN 0.484 nan 8.370 nan 0.000 0.452 1774 G N 1.152 110.017 108.800 0.108 0.000 2.446 1774 G HA2 -0.242 3.714 3.960 -0.005 0.000 0.217 1774 G HA3 -0.242 3.714 3.960 -0.005 0.000 0.217 1774 G C 1.632 176.593 174.900 0.102 0.000 1.168 1774 G CA 0.882 46.042 45.100 0.100 0.000 0.771 1774 G HN 0.256 nan 8.290 nan 0.000 0.551 1775 L N 1.383 122.667 121.223 0.102 0.000 1.989 1775 L HA -0.079 4.257 4.340 -0.005 0.000 0.211 1775 L C 2.252 179.208 176.870 0.145 0.000 1.071 1775 L CA 2.200 57.099 54.840 0.099 0.000 0.749 1775 L CB -0.765 41.333 42.059 0.064 0.000 0.890 1775 L HN 0.104 nan 8.230 nan 0.000 0.431 1776 N N -0.210 118.572 118.700 0.136 0.000 2.223 1776 N HA -0.216 4.521 4.740 -0.005 0.000 0.185 1776 N C 1.814 177.439 175.510 0.191 0.000 1.016 1776 N CA 1.416 54.574 53.050 0.181 0.000 0.863 1776 N CB -0.177 38.391 38.487 0.135 0.000 0.983 1776 N HN 0.611 nan 8.380 nan 0.000 0.429 1777 E N 0.470 120.753 120.200 0.138 0.000 2.072 1777 E HA -0.056 4.290 4.350 -0.005 0.000 0.191 1777 E C 1.851 178.525 176.600 0.124 0.000 0.985 1777 E CA 0.694 57.160 56.400 0.111 0.000 0.801 1777 E CB 0.090 29.840 29.700 0.082 0.000 0.750 1777 E HN 0.272 nan 8.360 nan 0.000 0.452 1778 M N -0.230 119.460 119.600 0.150 0.000 2.175 1778 M HA -0.154 4.323 4.480 -0.005 0.000 0.264 1778 M C 2.248 178.689 176.300 0.235 0.000 1.063 1778 M CA 1.303 56.699 55.300 0.161 0.000 1.119 1778 M CB -0.513 32.181 32.600 0.158 0.000 1.377 1778 M HN 0.405 nan 8.290 nan 0.000 0.415 1779 W N 1.221 122.557 121.300 0.061 0.000 2.358 1779 W HA -0.192 4.465 4.660 -0.005 0.000 0.303 1779 W C 2.223 178.774 176.519 0.054 0.000 1.208 1779 W CA 1.464 58.850 57.345 0.069 0.000 1.274 1779 W CB -0.042 29.459 29.460 0.069 0.000 1.138 1779 W HN 0.215 nan 8.180 nan 0.000 0.515 1780 A N 0.771 123.624 122.820 0.054 0.000 1.898 1780 A HA -0.234 4.083 4.320 -0.005 0.000 0.216 1780 A C 1.599 179.126 177.584 -0.095 0.000 1.181 1780 A CA 2.040 54.023 52.037 -0.090 0.000 0.620 1780 A CB -1.065 17.940 19.000 0.009 0.000 0.819 1780 A HN 0.246 nan 8.150 nan 0.000 0.442 1781 D N -0.249 120.140 120.400 -0.018 0.000 2.104 1781 D HA -0.164 4.473 4.640 -0.005 0.000 0.194 1781 D C 1.844 178.115 176.300 -0.048 0.000 0.994 1781 D CA 1.493 55.483 54.000 -0.016 0.000 0.830 1781 D CB -0.503 40.310 40.800 0.023 0.000 0.959 1781 D HN 0.370 nan 8.370 nan 0.000 0.452 1782 L N 0.687 121.872 121.223 -0.063 0.000 2.017 1782 L HA -0.108 4.229 4.340 -0.005 0.000 0.208 1782 L C 2.177 178.933 176.870 -0.190 0.000 1.073 1782 L CA 1.413 56.200 54.840 -0.089 0.000 0.745 1782 L CB -0.647 41.380 42.059 -0.053 0.000 0.894 1782 L HN 0.019 nan 8.230 nan 0.000 0.432 1783 L N -0.597 120.401 121.223 -0.375 0.000 2.083 1783 L HA -0.219 4.118 4.340 -0.005 0.000 0.209 1783 L C 2.607 179.377 176.870 -0.167 0.000 1.083 1783 L CA 1.697 56.315 54.840 -0.371 0.000 0.752 1783 L CB -0.570 41.176 42.059 -0.523 0.000 0.899 1783 L HN 0.465 nan 8.230 nan 0.000 0.433 1784 E N 0.138 120.264 120.200 -0.123 0.000 2.072 1784 E HA -0.234 4.112 4.350 -0.005 0.000 0.191 1784 E C 2.270 178.856 176.600 -0.025 0.000 0.985 1784 E CA 0.835 57.198 56.400 -0.061 0.000 0.801 1784 E CB 0.130 29.801 29.700 -0.048 0.000 0.750 1784 E HN 0.195 nan 8.360 nan 0.000 0.452 1785 L N 1.179 122.393 121.223 -0.014 0.000 2.043 1785 L HA -0.213 4.124 4.340 -0.005 0.000 0.212 1785 L C 2.250 179.172 176.870 0.087 0.000 1.075 1785 L CA 1.548 56.402 54.840 0.024 0.000 0.752 1785 L CB -0.806 41.275 42.059 0.037 0.000 0.891 1785 L HN 0.313 nan 8.230 nan 0.000 0.432 1786 I N -0.893 119.754 120.570 0.128 0.000 2.202 1786 I HA -0.285 3.882 4.170 -0.005 0.000 0.242 1786 I C 2.125 178.388 176.117 0.243 0.000 1.091 1786 I CA 1.116 62.597 61.300 0.303 0.000 1.368 1786 I CB -0.400 37.687 38.000 0.146 0.000 1.058 1786 I HN 0.238 nan 8.210 nan 0.000 0.410 1787 D N 0.613 121.066 120.400 0.089 0.000 2.104 1787 D HA -0.156 4.480 4.640 -0.005 0.000 0.194 1787 D C 2.195 178.522 176.300 0.046 0.000 0.994 1787 D CA 1.699 55.733 54.000 0.057 0.000 0.830 1787 D CB -0.350 40.452 40.800 0.003 0.000 0.959 1787 D HN 0.269 nan 8.370 nan 0.000 0.452 1788 T N 0.511 115.077 114.554 0.019 0.000 2.674 1788 T HA -0.183 4.164 4.350 -0.005 0.000 0.265 1788 T C 1.983 176.652 174.700 -0.052 0.000 1.039 1788 T CA 1.453 63.543 62.100 -0.017 0.000 1.150 1788 T CB -0.112 68.740 68.868 -0.026 0.000 0.864 1788 T HN 0.121 nan 8.240 nan 0.000 0.427 1789 R N 0.502 120.946 120.500 -0.094 0.000 2.091 1789 R HA 0.009 4.346 4.340 -0.005 0.000 0.238 1789 R C 2.506 178.632 176.300 -0.289 0.000 1.136 1789 R CA 1.456 57.374 56.100 -0.303 0.000 0.959 1789 R CB -0.370 29.540 30.300 -0.649 0.000 0.856 1789 R HN 0.372 nan 8.270 nan 0.000 0.437 1790 M N 0.362 119.940 119.600 -0.038 0.000 2.108 1790 M HA -0.245 4.232 4.480 -0.005 0.000 0.261 1790 M C 2.014 178.332 176.300 0.031 0.000 1.066 1790 M CA 1.855 57.220 55.300 0.109 0.000 1.107 1790 M CB 0.045 32.795 32.600 0.249 0.000 1.356 1790 M HN 0.292 nan 8.290 nan 0.000 0.406 1791 Q N -0.063 119.743 119.800 0.011 0.000 2.079 1791 Q HA -0.140 4.197 4.340 -0.005 0.000 0.200 1791 Q C 2.031 178.027 176.000 -0.008 0.000 0.974 1791 Q CA 1.448 57.252 55.803 0.001 0.000 0.840 1791 Q CB -0.180 28.552 28.738 -0.009 0.000 0.898 1791 Q HN 0.546 nan 8.270 nan 0.000 0.430 1792 L N 0.276 121.477 121.223 -0.037 0.000 2.093 1792 L HA -0.184 4.153 4.340 -0.005 0.000 0.208 1792 L C 2.270 179.140 176.870 0.000 0.000 1.085 1792 L CA 0.832 55.655 54.840 -0.028 0.000 0.755 1792 L CB -0.349 41.675 42.059 -0.058 0.000 0.904 1792 L HN 0.248 nan 8.230 nan 0.000 0.435 1793 L N -0.431 120.769 121.223 -0.037 0.000 2.093 1793 L HA -0.178 4.159 4.340 -0.005 0.000 0.208 1793 L C 2.852 179.785 176.870 0.106 0.000 1.085 1793 L CA 1.026 55.869 54.840 0.006 0.000 0.755 1793 L CB -0.603 41.425 42.059 -0.052 0.000 0.904 1793 L HN 0.245 nan 8.230 nan 0.000 0.435 1794 A N -0.071 122.798 122.820 0.082 0.000 1.898 1794 A HA -0.150 4.166 4.320 -0.005 0.000 0.216 1794 A C 2.527 180.214 177.584 0.172 0.000 1.181 1794 A CA 1.610 53.716 52.037 0.115 0.000 0.620 1794 A CB -0.634 18.398 19.000 0.054 0.000 0.819 1794 A HN 0.394 nan 8.150 nan 0.000 0.442 1795 A N -0.634 122.259 122.820 0.121 0.000 1.877 1795 A HA -0.128 4.189 4.320 -0.005 0.000 0.216 1795 A C 2.513 180.225 177.584 0.213 0.000 1.186 1795 A CA 2.256 54.377 52.037 0.140 0.000 0.620 1795 A CB -1.024 18.026 19.000 0.083 0.000 0.822 1795 A HN 0.639 nan 8.150 nan 0.000 0.443 1796 S N -2.048 113.783 115.700 0.218 0.000 2.399 1796 S HA -0.202 4.265 4.470 -0.005 0.000 0.231 1796 S C 1.859 176.691 174.600 0.388 0.000 1.022 1796 S CA 1.568 59.935 58.200 0.279 0.000 0.983 1796 S CB -0.571 62.780 63.200 0.252 0.000 0.803 1796 S HN 0.636 nan 8.310 nan 0.000 0.480 1797 Y N 2.158 122.597 120.300 0.231 0.000 2.114 1797 Y HA -0.146 4.402 4.550 -0.004 0.000 0.284 1797 Y C 1.969 178.015 175.900 0.244 0.000 1.143 1797 Y CA 2.319 60.586 58.100 0.280 0.000 1.135 1797 Y CB -0.551 38.032 38.460 0.205 0.000 0.980 1797 Y HN 0.279 nan 8.280 nan 0.000 0.499 1798 D N 0.111 120.710 120.400 0.331 0.000 2.144 1798 D HA -0.179 4.458 4.640 -0.005 0.000 0.199 1798 D C 2.099 178.421 176.300 0.037 0.000 0.984 1798 D CA 1.332 55.435 54.000 0.171 0.000 0.834 1798 D CB -0.550 40.343 40.800 0.154 0.000 0.955 1798 D HN 0.388 nan 8.370 nan 0.000 0.465 1799 L N 0.424 121.681 121.223 0.057 0.000 1.988 1799 L HA -0.147 4.189 4.340 -0.005 0.000 0.207 1799 L C 1.988 178.864 176.870 0.009 0.000 1.071 1799 L CA 1.962 56.782 54.840 -0.033 0.000 0.744 1799 L CB -0.836 41.177 42.059 -0.077 0.000 0.893 1799 L HN 0.042 nan 8.230 nan 0.000 0.433 1800 H N -0.918 118.193 119.070 0.068 0.000 2.387 1800 H HA -0.137 4.415 4.556 -0.006 0.000 0.299 1800 H C 2.349 177.453 175.328 -0.374 0.000 1.099 1800 H CA 1.908 57.973 56.048 0.029 0.000 1.315 1800 H CB -0.133 29.689 29.762 0.100 0.000 1.380 1800 H HN 0.288 nan 8.280 nan 0.000 0.513 1801 R N -0.074 120.042 120.500 -0.639 0.000 2.081 1801 R HA -0.221 4.115 4.340 -0.005 0.000 0.235 1801 R C 1.977 178.068 176.300 -0.348 0.000 1.131 1801 R CA 1.575 57.026 56.100 -1.082 0.000 0.960 1801 R CB -0.446 29.413 30.300 -0.735 0.000 0.856 1801 R HN 0.421 nan 8.270 nan 0.000 0.436 1802 Y N 0.525 120.655 120.300 -0.282 0.000 2.081 1802 Y HA -0.269 4.277 4.550 -0.007 0.000 0.280 1802 Y C 1.703 177.535 175.900 -0.114 0.000 1.163 1802 Y CA 2.015 59.978 58.100 -0.229 0.000 1.135 1802 Y CB -0.642 37.535 38.460 -0.471 0.000 0.970 1802 Y HN 0.007 nan 8.280 nan 0.000 0.498 1803 F N -1.356 118.526 119.950 -0.113 0.000 2.186 1803 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 1803 F C 2.341 178.049 175.800 -0.153 0.000 1.090 1803 F CA 1.621 59.514 58.000 -0.179 0.000 1.307 1803 F CB -1.407 37.559 39.000 -0.057 0.000 1.019 1803 F HN 0.158 nan 8.300 nan 0.000 0.489 1804 Y N 1.103 121.359 120.300 -0.072 0.000 2.114 1804 Y HA -0.315 4.232 4.550 -0.006 0.000 0.282 1804 Y C 2.515 178.331 175.900 -0.140 0.000 1.165 1804 Y CA 2.384 60.413 58.100 -0.119 0.000 1.148 1804 Y CB -0.872 37.421 38.460 -0.278 0.000 0.972 1804 Y HN -0.018 nan 8.280 nan 0.000 0.504 1805 T N -0.260 114.290 114.554 -0.007 0.000 2.777 1805 T HA -0.131 4.215 4.350 -0.005 0.000 0.266 1805 T C 2.054 176.528 174.700 -0.376 0.000 1.040 1805 T CA 1.308 63.352 62.100 -0.093 0.000 1.141 1805 T CB -1.155 67.734 68.868 0.035 0.000 0.868 1805 T HN 0.607 nan 8.240 nan 0.000 0.444 1806 G N 1.560 110.086 108.800 -0.455 0.000 2.529 1806 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.219 1806 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.219 1806 G C 1.842 176.463 174.900 -0.464 0.000 1.177 1806 G CA 1.221 45.888 45.100 -0.722 0.000 0.773 1806 G HN 0.602 nan 8.290 nan 0.000 0.573 1807 A N 0.501 123.131 122.820 -0.315 0.000 1.877 1807 A HA -0.058 4.259 4.320 -0.005 0.000 0.216 1807 A C 2.152 179.560 177.584 -0.292 0.000 1.186 1807 A CA 2.169 54.045 52.037 -0.268 0.000 0.620 1807 A CB -0.620 18.227 19.000 -0.256 0.000 0.822 1807 A HN 0.506 nan 8.150 nan 0.000 0.443 1808 E N -0.180 119.804 120.200 -0.358 0.000 2.048 1808 E HA -0.232 4.115 4.350 -0.005 0.000 0.202 1808 E C 1.856 178.315 176.600 -0.235 0.000 1.021 1808 E CA 1.882 58.115 56.400 -0.278 0.000 0.825 1808 E CB -0.295 29.263 29.700 -0.237 0.000 0.756 1808 E HN 0.666 nan 8.360 nan 0.000 0.454 1809 I N 0.635 121.015 120.570 -0.317 0.000 2.208 1809 I HA -0.302 3.864 4.170 -0.005 0.000 0.245 1809 I C 2.404 178.381 176.117 -0.234 0.000 1.097 1809 I CA 0.886 61.995 61.300 -0.318 0.000 1.363 1809 I CB -0.290 37.400 38.000 -0.516 0.000 1.051 1809 I HN 0.229 nan 8.210 nan 0.000 0.413 1810 L N 0.447 121.524 121.223 -0.244 0.000 2.042 1810 L HA -0.157 4.179 4.340 -0.005 0.000 0.210 1810 L C 2.708 179.519 176.870 -0.098 0.000 1.076 1810 L CA 1.653 56.402 54.840 -0.152 0.000 0.749 1810 L CB -1.185 40.787 42.059 -0.144 0.000 0.893 1810 L HN 0.327 nan 8.230 nan 0.000 0.432 1811 G N 0.037 108.772 108.800 -0.110 0.000 2.418 1811 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.217 1811 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.217 1811 G C 1.632 176.507 174.900 -0.042 0.000 1.158 1811 G CA 0.478 45.536 45.100 -0.071 0.000 0.771 1811 G HN 0.216 nan 8.290 nan 0.000 0.545 1812 L N 0.141 121.329 121.223 -0.058 0.000 2.046 1812 L HA -0.014 4.323 4.340 -0.005 0.000 0.208 1812 L C 2.857 179.741 176.870 0.023 0.000 1.077 1812 L CA 0.752 55.576 54.840 -0.027 0.000 0.747 1812 L CB -0.387 41.636 42.059 -0.060 0.000 0.896 1812 L HN 0.195 nan 8.230 nan 0.000 0.432 1813 I N -0.556 120.036 120.570 0.036 0.000 2.226 1813 I HA -0.297 3.870 4.170 -0.005 0.000 0.245 1813 I C 2.372 178.564 176.117 0.125 0.000 1.100 1813 I CA 1.234 62.613 61.300 0.132 0.000 1.374 1813 I CB -0.482 37.626 38.000 0.179 0.000 1.057 1813 I HN 0.368 nan 8.210 nan 0.000 0.413 1814 D N 1.439 121.879 120.400 0.066 0.000 2.092 1814 D HA -0.242 4.395 4.640 -0.005 0.000 0.193 1814 D C 2.152 178.510 176.300 0.096 0.000 0.994 1814 D CA 2.194 56.229 54.000 0.060 0.000 0.828 1814 D CB 0.229 41.033 40.800 0.007 0.000 0.963 1814 D HN 0.416 nan 8.370 nan 0.000 0.450 1815 E N 0.993 121.234 120.200 0.068 0.000 2.331 1815 E HA -0.184 4.163 4.350 -0.005 0.000 0.199 1815 E C 1.910 178.575 176.600 0.109 0.000 1.008 1815 E CA 1.248 57.691 56.400 0.073 0.000 0.843 1815 E CB -0.585 29.143 29.700 0.046 0.000 0.761 1815 E HN 0.294 nan 8.360 nan 0.000 0.507 1816 K N -1.471 119.010 120.400 0.136 0.000 2.352 1816 K HA -0.016 4.300 4.320 -0.005 0.000 0.194 1816 K C 1.952 178.684 176.600 0.220 0.000 1.038 1816 K CA 0.372 56.768 56.287 0.182 0.000 1.023 1816 K CB 0.033 32.616 32.500 0.138 0.000 0.840 1816 K HN 0.551 nan 8.250 nan 0.000 0.519 1817 H N 1.011 120.141 119.070 0.099 0.000 2.384 1817 H HA 0.080 4.634 4.556 -0.004 0.000 0.300 1817 H C 1.609 176.969 175.328 0.053 0.000 1.057 1817 H CA 1.033 57.125 56.048 0.073 0.000 1.370 1817 H CB 0.455 30.242 29.762 0.042 0.000 1.417 1817 H HN 0.063 nan 8.280 nan 0.000 0.527 1818 R N 0.893 121.525 120.500 0.219 0.000 2.113 1818 R HA -0.136 4.201 4.340 -0.005 0.000 0.244 1818 R C 0.620 176.943 176.300 0.037 0.000 1.142 1818 R CA 1.471 57.651 56.100 0.133 0.000 0.953 1818 R CB -0.292 30.068 30.300 0.101 0.000 0.860 1818 R HN 0.607 nan 8.270 nan 0.000 0.438 1819 E N 1.977 122.202 120.200 0.041 0.000 2.161 1819 E HA 0.023 4.369 4.350 -0.005 0.000 0.263 1819 E C -0.778 175.773 176.600 -0.081 0.000 1.185 1819 E CA 0.207 56.607 56.400 0.000 0.000 0.938 1819 E CB 0.190 29.921 29.700 0.052 0.000 1.023 1819 E HN 0.245 nan 8.360 nan 0.000 0.433 1820 L N 5.288 126.445 121.223 -0.109 0.000 2.435 1820 L HA 0.334 4.671 4.340 -0.005 0.000 0.253 1820 L C -1.787 174.994 176.870 -0.149 0.000 1.087 1820 L CA -1.804 52.943 54.840 -0.156 0.000 0.950 1820 L CB 0.346 42.320 42.059 -0.141 0.000 1.304 1820 L HN 0.548 nan 8.230 nan 0.000 0.453 1836 R N 0.187 120.683 120.500 -0.007 0.000 2.127 1836 R HA 0.374 4.711 4.340 -0.005 0.000 0.217 1836 R C 2.065 178.374 176.300 0.016 0.000 1.074 1836 R CA 2.303 58.405 56.100 0.004 0.000 0.991 1836 R CB -0.966 29.336 30.300 0.003 0.000 0.895 1836 R HN 1.611 nan 8.270 nan 0.000 0.450 1837 V N -3.325 116.600 119.914 0.018 0.000 3.249 1837 V HA 0.309 4.426 4.120 -0.005 0.000 0.338 1837 V C 1.945 178.080 176.094 0.068 0.000 1.363 1837 V CA 0.595 62.920 62.300 0.042 0.000 1.205 1837 V CB -1.399 30.450 31.823 0.044 0.000 1.164 1837 V HN 0.689 nan 8.190 nan 0.000 0.458 1838 H N 1.007 120.104 119.070 0.045 0.000 2.387 1838 H HA -0.145 4.408 4.556 -0.005 0.000 0.299 1838 H C 2.498 177.910 175.328 0.141 0.000 1.090 1838 H CA 2.528 58.618 56.048 0.069 0.000 1.332 1838 H CB -0.868 28.908 29.762 0.022 0.000 1.386 1838 H HN 0.740 nan 8.280 nan 0.000 0.516 1839 T N -2.552 112.057 114.554 0.093 0.000 2.995 1839 T HA 0.274 4.621 4.350 -0.005 0.000 0.269 1839 T C 2.330 177.084 174.700 0.090 0.000 1.091 1839 T CA 1.441 63.590 62.100 0.083 0.000 1.128 1839 T CB -0.487 68.410 68.868 0.048 0.000 0.891 1839 T HN 0.729 nan 8.240 nan 0.000 0.492 1840 A N 0.427 123.310 122.820 0.105 0.000 1.970 1840 A HA 0.257 4.573 4.320 -0.005 0.000 0.216 1840 A C 1.910 179.574 177.584 0.132 0.000 1.170 1840 A CA 0.682 52.778 52.037 0.098 0.000 0.645 1840 A CB -0.927 18.127 19.000 0.090 0.000 0.816 1840 A HN 0.523 nan 8.150 nan 0.000 0.447 1841 F N 1.206 121.174 119.950 0.029 0.000 2.206 1841 F HA 0.014 4.538 4.527 -0.006 0.000 0.298 1841 F C 2.597 178.429 175.800 0.053 0.000 1.090 1841 F CA 1.960 59.982 58.000 0.037 0.000 1.323 1841 F CB -0.505 38.508 39.000 0.022 0.000 1.028 1841 F HN 0.349 nan 8.300 nan 0.000 0.492 1842 E N 1.279 121.595 120.200 0.193 0.000 2.005 1842 E HA -0.258 4.089 4.350 -0.005 0.000 0.198 1842 E C 2.202 178.825 176.600 0.038 0.000 1.010 1842 E CA 2.015 58.480 56.400 0.108 0.000 0.825 1842 E CB -1.031 28.732 29.700 0.105 0.000 0.769 1842 E HN 0.561 nan 8.360 nan 0.000 0.456 1843 R N -0.196 120.325 120.500 0.035 0.000 2.083 1843 R HA -0.117 4.220 4.340 -0.005 0.000 0.237 1843 R C 2.617 178.942 176.300 0.042 0.000 1.137 1843 R CA 1.544 57.663 56.100 0.031 0.000 0.951 1843 R CB -0.334 29.977 30.300 0.018 0.000 0.851 1843 R HN 0.657 nan 8.270 nan 0.000 0.434 1844 E N 1.155 121.352 120.200 -0.005 0.000 2.021 1844 E HA -0.240 4.107 4.350 -0.005 0.000 0.200 1844 E C 2.059 178.628 176.600 -0.053 0.000 1.015 1844 E CA 1.433 57.812 56.400 -0.034 0.000 0.824 1844 E CB -0.181 29.481 29.700 -0.063 0.000 0.762 1844 E HN 0.245 nan 8.360 nan 0.000 0.454 1845 L N 0.781 121.904 121.223 -0.165 0.000 2.021 1845 L HA -0.303 4.033 4.340 -0.005 0.000 0.215 1845 L C 2.708 179.652 176.870 0.124 0.000 1.074 1845 L CA 2.142 56.923 54.840 -0.098 0.000 0.760 1845 L CB -0.507 41.351 42.059 -0.335 0.000 0.889 1845 L HN 0.409 nan 8.230 nan 0.000 0.433 1846 H N -0.187 118.896 119.070 0.022 0.000 2.352 1846 H HA -0.217 4.336 4.556 -0.005 0.000 0.299 1846 H C 2.230 177.571 175.328 0.021 0.000 1.097 1846 H CA 2.511 58.595 56.048 0.060 0.000 1.311 1846 H CB 0.061 29.843 29.762 0.034 0.000 1.377 1846 H HN 0.455 nan 8.280 nan 0.000 0.504 1847 L N 1.231 122.507 121.223 0.088 0.000 2.042 1847 L HA -0.146 4.191 4.340 -0.005 0.000 0.210 1847 L C 3.044 179.840 176.870 -0.123 0.000 1.076 1847 L CA 1.924 56.765 54.840 0.003 0.000 0.749 1847 L CB -1.674 40.393 42.059 0.014 0.000 0.893 1847 L HN 0.327 nan 8.230 nan 0.000 0.432 1848 L N -0.185 120.946 121.223 -0.154 0.000 1.989 1848 L HA -0.172 4.165 4.340 -0.005 0.000 0.211 1848 L C 3.026 179.504 176.870 -0.653 0.000 1.071 1848 L CA 1.618 56.234 54.840 -0.374 0.000 0.749 1848 L CB -1.118 40.737 42.059 -0.340 0.000 0.890 1848 L HN 0.552 nan 8.230 nan 0.000 0.431 1849 G N -0.539 107.956 108.800 -0.508 0.000 2.556 1849 G HA2 -0.292 3.665 3.960 -0.005 0.000 0.220 1849 G HA3 -0.292 3.665 3.960 -0.005 0.000 0.220 1849 G C 1.515 176.199 174.900 -0.360 0.000 1.156 1849 G CA 1.314 46.188 45.100 -0.376 0.000 0.766 1849 G HN 0.285 nan 8.290 nan 0.000 0.583 1850 V N 0.448 120.184 119.914 -0.296 0.000 2.453 1850 V HA -0.166 3.951 4.120 -0.005 0.000 0.247 1850 V C 2.673 178.666 176.094 -0.168 0.000 1.048 1850 V CA 2.224 64.411 62.300 -0.189 0.000 1.049 1850 V CB -0.240 31.515 31.823 -0.113 0.000 0.672 1850 V HN 0.583 nan 8.190 nan 0.000 0.457 1851 Q N -0.332 119.341 119.800 -0.212 0.000 2.187 1851 Q HA -0.109 4.227 4.340 -0.005 0.000 0.199 1851 Q C 2.179 178.064 176.000 -0.192 0.000 0.957 1851 Q CA 1.335 57.037 55.803 -0.167 0.000 0.857 1851 Q CB 0.117 28.752 28.738 -0.171 0.000 0.929 1851 Q HN 0.473 nan 8.270 nan 0.000 0.453 1852 V N 1.159 120.846 119.914 -0.378 0.000 2.427 1852 V HA -0.243 3.874 4.120 -0.005 0.000 0.248 1852 V C 2.357 178.354 176.094 -0.162 0.000 1.051 1852 V CA 1.968 64.045 62.300 -0.372 0.000 1.048 1852 V CB -0.495 30.821 31.823 -0.846 0.000 0.666 1852 V HN 0.438 nan 8.190 nan 0.000 0.456 1853 Q N 0.415 120.100 119.800 -0.192 0.000 2.096 1853 Q HA -0.275 4.061 4.340 -0.005 0.000 0.204 1853 Q C 2.147 178.125 176.000 -0.037 0.000 0.982 1853 Q CA 2.291 58.040 55.803 -0.090 0.000 0.850 1853 Q CB -0.432 28.251 28.738 -0.092 0.000 0.901 1853 Q HN 0.612 nan 8.270 nan 0.000 0.422 1854 Q N -0.665 119.117 119.800 -0.029 0.000 2.119 1854 Q HA -0.098 4.238 4.340 -0.005 0.000 0.201 1854 Q C 1.750 177.780 176.000 0.051 0.000 0.972 1854 Q CA 1.714 57.521 55.803 0.006 0.000 0.847 1854 Q CB -0.666 28.078 28.738 0.009 0.000 0.903 1854 Q HN 0.545 nan 8.270 nan 0.000 0.433 1855 F N 0.565 120.472 119.950 -0.073 0.000 2.102 1855 F HA -0.220 4.303 4.527 -0.007 0.000 0.298 1855 F C 2.130 177.944 175.800 0.024 0.000 1.105 1855 F CA 1.732 59.716 58.000 -0.027 0.000 1.239 1855 F CB 0.019 38.961 39.000 -0.097 0.000 0.991 1855 F HN 0.161 nan 8.300 nan 0.000 0.474 1856 Q N 0.057 119.877 119.800 0.034 0.000 2.096 1856 Q HA -0.237 4.100 4.340 -0.005 0.000 0.204 1856 Q C 1.779 177.714 176.000 -0.108 0.000 0.982 1856 Q CA 1.863 57.639 55.803 -0.045 0.000 0.850 1856 Q CB -0.233 28.510 28.738 0.010 0.000 0.901 1856 Q HN 0.428 nan 8.270 nan 0.000 0.422 1857 D N -0.406 119.945 120.400 -0.081 0.000 2.117 1857 D HA -0.126 4.511 4.640 -0.005 0.000 0.197 1857 D C 1.945 178.165 176.300 -0.134 0.000 0.987 1857 D CA 0.946 54.895 54.000 -0.085 0.000 0.829 1857 D CB -0.203 40.566 40.800 -0.052 0.000 0.961 1857 D HN 0.070 nan 8.370 nan 0.000 0.460 1858 V N 1.544 121.359 119.914 -0.164 0.000 2.295 1858 V HA -0.234 3.882 4.120 -0.005 0.000 0.246 1858 V C 2.574 178.422 176.094 -0.410 0.000 1.049 1858 V CA 1.786 63.948 62.300 -0.230 0.000 1.024 1858 V CB -0.907 30.812 31.823 -0.174 0.000 0.648 1858 V HN 0.183 nan 8.190 nan 0.000 0.447 1859 A N -0.176 122.342 122.820 -0.504 0.000 1.908 1859 A HA -0.270 4.047 4.320 -0.005 0.000 0.218 1859 A C 2.405 179.776 177.584 -0.355 0.000 1.181 1859 A CA 2.700 54.377 52.037 -0.601 0.000 0.627 1859 A CB -1.110 17.652 19.000 -0.397 0.000 0.818 1859 A HN 0.506 nan 8.150 nan 0.000 0.445 1860 T N -0.774 113.644 114.554 -0.227 0.000 2.684 1860 T HA -0.194 4.152 4.350 -0.005 0.000 0.267 1860 T C 2.080 176.694 174.700 -0.145 0.000 1.036 1860 T CA 1.770 63.782 62.100 -0.148 0.000 1.148 1860 T CB -0.251 68.556 68.868 -0.102 0.000 0.863 1860 T HN 0.643 nan 8.240 nan 0.000 0.436 1861 R N 0.645 121.051 120.500 -0.157 0.000 2.066 1861 R HA 0.020 4.357 4.340 -0.005 0.000 0.232 1861 R C 2.414 178.631 176.300 -0.139 0.000 1.131 1861 R CA 1.175 57.197 56.100 -0.129 0.000 0.955 1861 R CB -0.456 29.775 30.300 -0.114 0.000 0.851 1861 R HN 0.353 nan 8.270 nan 0.000 0.432 1862 L N 0.555 121.655 121.223 -0.204 0.000 2.083 1862 L HA -0.184 4.153 4.340 -0.005 0.000 0.209 1862 L C 2.629 179.485 176.870 -0.023 0.000 1.083 1862 L CA 1.483 56.239 54.840 -0.141 0.000 0.752 1862 L CB -0.481 41.370 42.059 -0.346 0.000 0.899 1862 L HN 0.373 nan 8.230 nan 0.000 0.433 1863 Q N -0.531 119.210 119.800 -0.098 0.000 2.291 1863 Q HA -0.192 4.145 4.340 -0.005 0.000 0.206 1863 Q C 2.100 178.087 176.000 -0.022 0.000 0.976 1863 Q CA 1.932 57.716 55.803 -0.032 0.000 0.875 1863 Q CB -0.093 28.601 28.738 -0.072 0.000 0.927 1863 Q HN 0.626 nan 8.270 nan 0.000 0.450 1864 T N -3.335 111.181 114.554 -0.064 0.000 3.118 1864 T HA 0.143 4.489 4.350 -0.005 0.000 0.260 1864 T C 1.435 176.058 174.700 -0.129 0.000 1.139 1864 T CA 0.648 62.700 62.100 -0.079 0.000 1.085 1864 T CB 0.200 69.020 68.868 -0.080 0.000 0.934 1864 T HN 0.203 nan 8.240 nan 0.000 0.518 1865 A N -0.501 122.202 122.820 -0.194 0.000 2.267 1865 A HA 0.539 4.856 4.320 -0.005 0.000 0.213 1865 A C -0.079 177.063 177.584 -0.735 0.000 1.192 1865 A CA -0.278 51.474 52.037 -0.476 0.000 0.851 1865 A CB 0.037 18.655 19.000 -0.637 0.000 0.881 1865 A HN 0.591 nan 8.150 nan 0.000 0.494 1866 Y N -2.548 117.715 120.300 -0.061 0.000 2.615 1866 Y HA 0.686 5.234 4.550 -0.004 0.000 0.341 1866 Y C 0.276 176.153 175.900 -0.039 0.000 1.089 1866 Y CA -0.553 57.520 58.100 -0.045 0.000 1.049 1866 Y CB 1.591 40.024 38.460 -0.045 0.000 1.296 1866 Y HN 0.135 nan 8.280 nan 0.000 0.470 1867 A N 0.191 123.097 122.820 0.144 0.000 2.507 1867 A HA 0.876 5.192 4.320 -0.005 0.000 0.284 1867 A C 0.540 178.165 177.584 0.067 0.000 1.281 1867 A CA -0.299 51.782 52.037 0.073 0.000 0.744 1867 A CB 0.427 19.448 19.000 0.034 0.000 1.332 1867 A HN 1.603 nan 8.150 nan 0.000 0.454 1868 G N -0.550 108.273 108.800 0.039 0.000 2.634 1868 G HA2 -0.323 3.634 3.960 -0.005 0.000 0.309 1868 G HA3 -0.323 3.634 3.960 -0.005 0.000 0.309 1868 G C 1.067 175.982 174.900 0.025 0.000 1.265 1868 G CA 2.018 47.135 45.100 0.028 0.000 0.998 1868 G HN 1.903 nan 8.290 nan 0.000 0.551 1869 E N 0.291 120.501 120.200 0.016 0.000 2.106 1869 E HA -0.064 4.283 4.350 -0.005 0.000 0.192 1869 E C 2.630 179.227 176.600 -0.005 0.000 0.984 1869 E CA 2.120 58.522 56.400 0.003 0.000 0.806 1869 E CB -0.386 29.310 29.700 -0.008 0.000 0.750 1869 E HN 0.603 nan 8.360 nan 0.000 0.458 1870 K N -0.366 120.028 120.400 -0.011 0.000 2.001 1870 K HA 0.005 4.322 4.320 -0.005 0.000 0.208 1870 K C 2.497 179.070 176.600 -0.046 0.000 1.048 1870 K CA 1.115 57.356 56.287 -0.076 0.000 0.932 1870 K CB -0.437 31.962 32.500 -0.167 0.000 0.715 1870 K HN 0.343 nan 8.250 nan 0.000 0.437 1871 A N 1.317 124.151 122.820 0.024 0.000 1.908 1871 A HA -0.235 4.082 4.320 -0.005 0.000 0.218 1871 A C 2.061 179.660 177.584 0.025 0.000 1.181 1871 A CA 2.238 54.297 52.037 0.037 0.000 0.627 1871 A CB -0.734 18.303 19.000 0.062 0.000 0.818 1871 A HN 0.364 nan 8.150 nan 0.000 0.445 1872 E N -0.227 119.992 120.200 0.030 0.000 2.077 1872 E HA -0.087 4.260 4.350 -0.005 0.000 0.193 1872 E C 2.272 178.912 176.600 0.067 0.000 0.989 1872 E CA 1.566 57.988 56.400 0.037 0.000 0.800 1872 E CB -0.773 28.942 29.700 0.025 0.000 0.746 1872 E HN 0.834 nan 8.360 nan 0.000 0.452 1873 A N 0.475 123.344 122.820 0.082 0.000 1.902 1873 A HA -0.030 4.286 4.320 -0.005 0.000 0.217 1873 A C 2.390 180.187 177.584 0.355 0.000 1.181 1873 A CA 1.672 53.809 52.037 0.166 0.000 0.623 1873 A CB -0.666 18.393 19.000 0.098 0.000 0.818 1873 A HN 0.562 nan 8.150 nan 0.000 0.443 1874 I N -0.797 119.924 120.570 0.251 0.000 2.226 1874 I HA -0.294 3.873 4.170 -0.005 0.000 0.245 1874 I C 2.814 178.992 176.117 0.102 0.000 1.100 1874 I CA 1.808 63.167 61.300 0.098 0.000 1.374 1874 I CB -0.332 37.527 38.000 -0.235 0.000 1.057 1874 I HN 0.510 nan 8.210 nan 0.000 0.413 1875 Q N 0.874 120.710 119.800 0.060 0.000 2.119 1875 Q HA -0.195 4.142 4.340 -0.005 0.000 0.201 1875 Q C 1.956 178.015 176.000 0.098 0.000 0.972 1875 Q CA 1.366 57.199 55.803 0.051 0.000 0.847 1875 Q CB 0.084 28.837 28.738 0.026 0.000 0.903 1875 Q HN 0.465 nan 8.270 nan 0.000 0.433 1876 N N 0.859 119.630 118.700 0.118 0.000 2.120 1876 N HA -0.164 4.572 4.740 -0.005 0.000 0.188 1876 N C 1.572 177.171 175.510 0.150 0.000 1.024 1876 N CA 1.261 54.380 53.050 0.114 0.000 0.852 1876 N CB -0.223 38.322 38.487 0.097 0.000 1.003 1876 N HN 0.099 nan 8.380 nan 0.000 0.424 1877 K N 1.703 122.240 120.400 0.228 0.000 2.057 1877 K HA -0.075 4.242 4.320 -0.005 0.000 0.206 1877 K C 1.764 178.527 176.600 0.273 0.000 1.050 1877 K CA 1.072 57.508 56.287 0.248 0.000 0.935 1877 K CB -0.328 32.377 32.500 0.343 0.000 0.715 1877 K HN 0.086 nan 8.250 nan 0.000 0.439 1878 E N 0.917 121.288 120.200 0.284 0.000 2.051 1878 E HA -0.219 4.128 4.350 -0.005 0.000 0.192 1878 E C 1.818 178.535 176.600 0.195 0.000 0.991 1878 E CA 1.540 58.110 56.400 0.284 0.000 0.799 1878 E CB -0.035 29.740 29.700 0.125 0.000 0.748 1878 E HN 0.523 nan 8.360 nan 0.000 0.449 1879 Q N 0.123 120.003 119.800 0.133 0.000 2.167 1879 Q HA -0.151 4.186 4.340 -0.005 0.000 0.202 1879 Q C 2.150 178.206 176.000 0.093 0.000 0.970 1879 Q CA 1.441 57.303 55.803 0.099 0.000 0.855 1879 Q CB -0.081 28.701 28.738 0.073 0.000 0.911 1879 Q HN 0.371 nan 8.270 nan 0.000 0.438 1880 E N 0.144 120.400 120.200 0.094 0.000 2.072 1880 E HA -0.152 4.194 4.350 -0.005 0.000 0.191 1880 E C 1.871 178.502 176.600 0.052 0.000 0.985 1880 E CA 0.915 57.352 56.400 0.062 0.000 0.801 1880 E CB 0.227 29.959 29.700 0.053 0.000 0.750 1880 E HN 0.123 nan 8.360 nan 0.000 0.452 1881 V N 0.522 120.474 119.914 0.063 0.000 2.358 1881 V HA -0.205 3.911 4.120 -0.005 0.000 0.246 1881 V C 2.310 178.464 176.094 0.101 0.000 1.047 1881 V CA 1.867 64.177 62.300 0.016 0.000 1.035 1881 V CB -0.269 31.506 31.823 -0.079 0.000 0.658 1881 V HN 0.257 nan 8.190 nan 0.000 0.452 1882 S N 0.272 116.055 115.700 0.138 0.000 2.399 1882 S HA -0.125 4.342 4.470 -0.005 0.000 0.231 1882 S C 2.139 176.843 174.600 0.174 0.000 1.022 1882 S CA 1.317 59.625 58.200 0.179 0.000 0.983 1882 S CB -0.362 62.925 63.200 0.145 0.000 0.803 1882 S HN 0.647 nan 8.310 nan 0.000 0.480 1883 A N 1.402 124.290 122.820 0.114 0.000 1.929 1883 A HA 0.304 4.620 4.320 -0.005 0.000 0.216 1883 A C 2.316 179.944 177.584 0.072 0.000 1.176 1883 A CA 1.342 53.425 52.037 0.077 0.000 0.628 1883 A CB -0.908 18.120 19.000 0.048 0.000 0.816 1883 A HN 0.481 nan 8.150 nan 0.000 0.444 1884 A N -0.934 121.936 122.820 0.083 0.000 1.877 1884 A HA -0.187 4.130 4.320 -0.005 0.000 0.216 1884 A C 2.148 179.823 177.584 0.151 0.000 1.186 1884 A CA 1.334 53.414 52.037 0.073 0.000 0.620 1884 A CB -1.040 17.992 19.000 0.054 0.000 0.822 1884 A HN 0.835 nan 8.150 nan 0.000 0.443 1885 W N 0.480 121.768 121.300 -0.020 0.000 2.333 1885 W HA -0.265 4.391 4.660 -0.007 0.000 0.316 1885 W C 2.322 178.848 176.519 0.011 0.000 1.215 1885 W CA 2.031 59.370 57.345 -0.009 0.000 1.278 1885 W CB -0.296 29.154 29.460 -0.016 0.000 1.154 1885 W HN 0.571 nan 8.180 nan 0.000 0.486 1886 Q N 0.420 120.241 119.800 0.036 0.000 2.096 1886 Q HA -0.212 4.124 4.340 -0.005 0.000 0.204 1886 Q C 2.301 178.234 176.000 -0.111 0.000 0.982 1886 Q CA 2.313 58.063 55.803 -0.088 0.000 0.850 1886 Q CB -0.442 28.304 28.738 0.014 0.000 0.901 1886 Q HN 0.251 nan 8.270 nan 0.000 0.422 1887 A N 0.426 123.219 122.820 -0.045 0.000 1.968 1887 A HA -0.131 4.186 4.320 -0.005 0.000 0.217 1887 A C 1.913 179.502 177.584 0.008 0.000 1.169 1887 A CA 1.047 53.071 52.037 -0.021 0.000 0.638 1887 A CB -0.571 18.416 19.000 -0.022 0.000 0.812 1887 A HN 0.483 nan 8.150 nan 0.000 0.446 1888 L N -0.449 120.758 121.223 -0.026 0.000 1.976 1888 L HA -0.121 4.216 4.340 -0.005 0.000 0.209 1888 L C 2.116 178.882 176.870 -0.172 0.000 1.071 1888 L CA 1.793 56.629 54.840 -0.006 0.000 0.746 1888 L CB -0.825 41.184 42.059 -0.083 0.000 0.890 1888 L HN 0.242 nan 8.230 nan 0.000 0.432 1889 L N 0.294 121.271 121.223 -0.411 0.000 1.990 1889 L HA -0.285 4.052 4.340 -0.005 0.000 0.213 1889 L C 2.530 179.295 176.870 -0.175 0.000 1.072 1889 L CA 2.269 56.883 54.840 -0.377 0.000 0.755 1889 L CB -1.617 40.142 42.059 -0.499 0.000 0.889 1889 L HN 0.523 nan 8.230 nan 0.000 0.432 1890 D N -0.559 119.764 120.400 -0.128 0.000 2.149 1890 D HA -0.203 4.433 4.640 -0.005 0.000 0.198 1890 D C 2.038 178.314 176.300 -0.041 0.000 0.990 1890 D CA 1.386 55.347 54.000 -0.064 0.000 0.839 1890 D CB 0.350 41.127 40.800 -0.040 0.000 0.948 1890 D HN 0.304 nan 8.370 nan 0.000 0.460 1891 A N 0.441 123.247 122.820 -0.023 0.000 1.865 1891 A HA -0.173 4.144 4.320 -0.005 0.000 0.217 1891 A C 2.136 179.680 177.584 -0.066 0.000 1.191 1891 A CA 1.255 53.275 52.037 -0.029 0.000 0.623 1891 A CB -0.896 18.082 19.000 -0.037 0.000 0.826 1891 A HN 0.457 nan 8.150 nan 0.000 0.444 1892 C N 0.520 119.785 119.300 -0.057 0.000 3.297 1892 C HA 0.525 4.981 4.460 -0.005 0.000 0.533 1892 C C 1.416 176.388 174.990 -0.030 0.000 1.228 1892 C CA -0.580 58.419 59.018 -0.032 0.000 1.402 1892 C CB -3.078 24.694 27.740 0.052 0.000 1.728 1892 C HN 0.914 nan 8.230 nan 0.000 0.637 1893 A N 0.000 122.797 122.820 -0.039 0.000 2.254 1893 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 1893 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 1893 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 1893 A HN 0.000 nan 8.150 nan 0.000 0.486