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 3f57_1_A DATA FIRST_RESID 1684 DATA SEQUENCE NALENMYHLF QLKRETDDLE QWISEKELVA SSPEMGQDFD HVTLLRDKFR DATA SEQUENCE DFARETGAIG QERVDNVNAF IERLIDAGHS EAATIAEWKD GLNEMWADLL DATA SEQUENCE ELIDTRMQLL AASYDLHRYF YTGAEILGLI DEKHXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXFER DVHLLGVQVQ QFQDVATRLQ TAYAGEKAEA IQNKEQEVSA DATA SEQUENCE AWQALLDACA GRR 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 1684 N HA 0.000 nan 4.740 nan 0.000 0.220 1684 N C 0.000 175.506 175.510 -0.007 0.000 1.280 1684 N CA 0.000 53.054 53.050 0.006 0.000 0.885 1684 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 1685 A N 1.415 124.221 122.820 -0.023 0.000 1.958 1685 A HA -0.074 4.246 4.320 0.000 0.000 0.221 1685 A C 2.064 179.645 177.584 -0.006 0.000 1.178 1685 A CA 1.847 53.860 52.037 -0.039 0.000 0.642 1685 A CB -1.031 17.953 19.000 -0.027 0.000 0.816 1685 A HN 0.388 nan 8.150 nan 0.000 0.453 1686 L N -0.480 120.756 121.223 0.022 0.000 2.027 1686 L HA -0.206 4.134 4.340 0.000 0.000 0.206 1686 L C 2.743 179.672 176.870 0.099 0.000 1.074 1686 L CA 1.872 56.745 54.840 0.054 0.000 0.745 1686 L CB -0.611 41.468 42.059 0.032 0.000 0.898 1686 L HN 0.722 nan 8.230 nan 0.000 0.433 1687 E N -0.808 119.447 120.200 0.092 0.000 2.285 1687 E HA -0.158 4.192 4.350 0.000 0.000 0.194 1687 E C 1.654 178.384 176.600 0.217 0.000 0.997 1687 E CA 0.814 57.312 56.400 0.163 0.000 0.845 1687 E CB -0.234 29.535 29.700 0.116 0.000 0.782 1687 E HN 0.360 nan 8.360 nan 0.000 0.491 1688 N N 1.088 119.874 118.700 0.144 0.000 2.120 1688 N HA -0.133 4.607 4.740 0.000 0.000 0.188 1688 N C 1.725 177.338 175.510 0.172 0.000 1.024 1688 N CA 1.525 54.642 53.050 0.112 0.000 0.852 1688 N CB -0.250 38.068 38.487 -0.281 0.000 1.003 1688 N HN 0.269 nan 8.380 nan 0.000 0.424 1689 M N -0.628 119.029 119.600 0.094 0.000 2.159 1689 M HA -0.219 4.261 4.480 0.000 0.000 0.263 1689 M C 1.987 178.433 176.300 0.243 0.000 1.063 1689 M CA 1.440 56.817 55.300 0.129 0.000 1.110 1689 M CB -0.220 32.472 32.600 0.153 0.000 1.374 1689 M HN 0.240 nan 8.290 nan 0.000 0.411 1690 Y N 0.358 120.739 120.300 0.134 0.000 2.145 1690 Y HA -0.262 4.288 4.550 0.000 0.000 0.286 1690 Y C 1.781 177.763 175.900 0.136 0.000 1.145 1690 Y CA 2.370 60.538 58.100 0.113 0.000 1.148 1690 Y CB -1.030 37.407 38.460 -0.040 0.000 0.981 1690 Y HN 0.407 nan 8.280 nan 0.000 0.507 1691 H N -0.326 118.583 119.070 -0.269 0.000 2.389 1691 H HA -0.144 4.412 4.556 0.000 0.000 0.299 1691 H C 2.426 177.744 175.328 -0.017 0.000 1.081 1691 H CA 1.202 57.121 56.048 -0.216 0.000 1.345 1691 H CB -0.161 29.652 29.762 0.085 0.000 1.393 1691 H HN 0.361 nan 8.280 nan 0.000 0.520 1692 L N 0.374 121.664 121.223 0.111 0.000 1.990 1692 L HA -0.259 4.081 4.340 0.000 0.000 0.213 1692 L C 1.586 178.465 176.870 0.015 0.000 1.072 1692 L CA 1.966 56.772 54.840 -0.056 0.000 0.755 1692 L CB -0.645 41.284 42.059 -0.215 0.000 0.889 1692 L HN 0.318 nan 8.230 nan 0.000 0.432 1693 F N -0.364 119.670 119.950 0.141 0.000 2.325 1693 F HA -0.133 4.394 4.527 0.000 0.000 0.299 1693 F C 2.817 178.658 175.800 0.069 0.000 1.090 1693 F CA 0.775 58.853 58.000 0.131 0.000 1.392 1693 F CB -0.052 39.015 39.000 0.112 0.000 1.053 1693 F HN 0.260 nan 8.300 nan 0.000 0.521 1694 Q N 0.238 120.123 119.800 0.141 0.000 2.311 1694 Q HA -0.120 4.220 4.340 0.000 0.000 0.203 1694 Q C 2.068 178.109 176.000 0.068 0.000 0.954 1694 Q CA 0.591 56.416 55.803 0.037 0.000 0.885 1694 Q CB 0.068 28.697 28.738 -0.181 0.000 0.963 1694 Q HN 0.466 nan 8.270 nan 0.000 0.471 1695 L N 0.723 122.053 121.223 0.180 0.000 2.131 1695 L HA -0.068 4.272 4.340 0.000 0.000 0.206 1695 L C 2.219 179.208 176.870 0.198 0.000 1.087 1695 L CA 1.746 56.730 54.840 0.241 0.000 0.767 1695 L CB -0.383 41.908 42.059 0.387 0.000 0.917 1695 L HN -0.050 nan 8.230 nan 0.000 0.441 1696 K N -0.213 120.332 120.400 0.242 0.000 2.063 1696 K HA -0.270 4.050 4.320 0.000 0.000 0.208 1696 K C 2.457 179.029 176.600 -0.047 0.000 1.048 1696 K CA 1.857 58.150 56.287 0.009 0.000 0.928 1696 K CB -0.257 32.329 32.500 0.144 0.000 0.713 1696 K HN 0.382 nan 8.250 nan 0.000 0.442 1697 R N 0.836 121.359 120.500 0.038 0.000 2.070 1697 R HA -0.197 4.143 4.340 0.000 0.000 0.233 1697 R C 2.185 178.467 176.300 -0.030 0.000 1.137 1697 R CA 2.125 58.227 56.100 0.004 0.000 0.945 1697 R CB -0.289 30.025 30.300 0.025 0.000 0.845 1697 R HN 0.333 nan 8.270 nan 0.000 0.430 1698 E N -0.564 119.619 120.200 -0.028 0.000 2.058 1698 E HA -0.166 4.184 4.350 0.000 0.000 0.194 1698 E C 1.606 178.167 176.600 -0.065 0.000 0.997 1698 E CA 2.132 58.497 56.400 -0.058 0.000 0.801 1698 E CB 0.009 29.665 29.700 -0.073 0.000 0.746 1698 E HN 0.419 nan 8.360 nan 0.000 0.450 1699 T N 1.044 115.565 114.554 -0.056 0.000 2.746 1699 T HA -0.151 4.199 4.350 0.000 0.000 0.267 1699 T C 1.227 175.869 174.700 -0.097 0.000 1.039 1699 T CA 1.352 63.407 62.100 -0.075 0.000 1.142 1699 T CB -0.349 68.465 68.868 -0.091 0.000 0.866 1699 T HN 0.193 nan 8.240 nan 0.000 0.444 1700 D N 1.293 121.620 120.400 -0.121 0.000 2.144 1700 D HA -0.089 4.551 4.640 0.000 0.000 0.199 1700 D C 1.941 178.221 176.300 -0.033 0.000 0.984 1700 D CA 0.954 54.897 54.000 -0.095 0.000 0.834 1700 D CB -0.327 40.414 40.800 -0.098 0.000 0.955 1700 D HN 0.340 nan 8.370 nan 0.000 0.465 1701 D N -0.074 120.309 120.400 -0.028 0.000 2.183 1701 D HA -0.084 4.556 4.640 0.000 0.000 0.203 1701 D C 2.149 178.470 176.300 0.034 0.000 0.969 1701 D CA 0.137 54.138 54.000 0.002 0.000 0.842 1701 D CB -0.102 40.681 40.800 -0.028 0.000 0.957 1701 D HN 0.117 nan 8.370 nan 0.000 0.484 1702 L N 1.565 122.780 121.223 -0.013 0.000 2.027 1702 L HA -0.112 4.228 4.340 0.000 0.000 0.206 1702 L C 1.964 178.921 176.870 0.145 0.000 1.074 1702 L CA 1.733 56.578 54.840 0.009 0.000 0.745 1702 L CB -0.527 41.482 42.059 -0.083 0.000 0.898 1702 L HN -0.057 nan 8.230 nan 0.000 0.433 1703 E N -1.163 119.085 120.200 0.080 0.000 2.153 1703 E HA -0.281 4.069 4.350 0.000 0.000 0.194 1703 E C 2.036 178.704 176.600 0.112 0.000 0.988 1703 E CA 1.084 57.540 56.400 0.093 0.000 0.811 1703 E CB -0.046 29.669 29.700 0.026 0.000 0.746 1703 E HN 0.614 nan 8.360 nan 0.000 0.466 1704 Q N 0.087 119.951 119.800 0.106 0.000 2.020 1704 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 1704 Q C 1.925 178.023 176.000 0.164 0.000 0.982 1704 Q CA 1.676 57.543 55.803 0.108 0.000 0.838 1704 Q CB -0.252 28.540 28.738 0.089 0.000 0.899 1704 Q HN 0.382 nan 8.270 nan 0.000 0.423 1705 W N 1.101 122.407 121.300 0.010 0.000 2.338 1705 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 1705 W C 1.647 178.200 176.519 0.057 0.000 1.212 1705 W CA 1.810 59.167 57.345 0.020 0.000 1.264 1705 W CB -0.218 29.237 29.460 -0.009 0.000 1.142 1705 W HN 0.190 nan 8.180 nan 0.000 0.512 1706 I N 0.238 120.994 120.570 0.310 0.000 2.127 1706 I HA -0.401 3.769 4.170 0.000 0.000 0.241 1706 I C 2.485 178.619 176.117 0.028 0.000 1.075 1706 I CA 1.891 63.295 61.300 0.172 0.000 1.334 1706 I CB -1.045 37.156 38.000 0.335 0.000 1.040 1706 I HN -0.117 nan 8.210 nan 0.000 0.405 1707 S N 0.292 116.024 115.700 0.053 0.000 2.400 1707 S HA -0.213 4.257 4.470 0.000 0.000 0.232 1707 S C 1.810 176.401 174.600 -0.015 0.000 1.025 1707 S CA 1.402 59.617 58.200 0.025 0.000 0.993 1707 S CB -0.371 62.849 63.200 0.034 0.000 0.808 1707 S HN 0.508 nan 8.310 nan 0.000 0.478 1708 E N 0.802 120.968 120.200 -0.055 0.000 2.107 1708 E HA -0.033 4.317 4.350 0.000 0.000 0.191 1708 E C 2.014 178.556 176.600 -0.097 0.000 0.982 1708 E CA 0.506 56.861 56.400 -0.075 0.000 0.809 1708 E CB 0.021 29.668 29.700 -0.088 0.000 0.756 1708 E HN 0.171 nan 8.360 nan 0.000 0.459 1709 K N 1.189 121.467 120.400 -0.204 0.000 2.063 1709 K HA -0.206 4.114 4.320 0.000 0.000 0.208 1709 K C 2.033 178.691 176.600 0.097 0.000 1.048 1709 K CA 1.599 57.828 56.287 -0.095 0.000 0.928 1709 K CB -0.294 31.987 32.500 -0.365 0.000 0.713 1709 K HN 0.400 nan 8.250 nan 0.000 0.442 1710 E N 0.948 121.164 120.200 0.026 0.000 2.208 1710 E HA -0.108 4.242 4.350 0.000 0.000 0.193 1710 E C 1.991 178.604 176.600 0.022 0.000 0.988 1710 E CA 0.525 56.953 56.400 0.046 0.000 0.828 1710 E CB -0.322 29.396 29.700 0.030 0.000 0.763 1710 E HN 0.152 nan 8.360 nan 0.000 0.478 1711 L N 0.964 122.188 121.223 0.002 0.000 2.012 1711 L HA -0.178 4.162 4.340 0.000 0.000 0.210 1711 L C 2.602 179.446 176.870 -0.043 0.000 1.073 1711 L CA 1.176 56.006 54.840 -0.016 0.000 0.748 1711 L CB -0.640 41.408 42.059 -0.018 0.000 0.891 1711 L HN 0.126 nan 8.230 nan 0.000 0.431 1712 V N 0.282 120.155 119.914 -0.067 0.000 2.358 1712 V HA -0.221 3.899 4.120 0.000 0.000 0.246 1712 V C 2.773 178.738 176.094 -0.216 0.000 1.047 1712 V CA 1.653 63.833 62.300 -0.201 0.000 1.035 1712 V CB -0.964 30.638 31.823 -0.367 0.000 0.658 1712 V HN 0.472 nan 8.190 nan 0.000 0.452 1713 A N 0.522 123.288 122.820 -0.090 0.000 2.131 1713 A HA -0.146 4.174 4.320 0.000 0.000 0.220 1713 A C 2.131 179.749 177.584 0.056 0.000 1.158 1713 A CA 1.871 53.977 52.037 0.114 0.000 0.665 1713 A CB -0.443 18.704 19.000 0.246 0.000 0.795 1713 A HN 0.710 nan 8.150 nan 0.000 0.460 1714 S N -0.301 115.389 115.700 -0.016 0.000 2.588 1714 S HA 0.292 4.762 4.470 0.000 0.000 0.245 1714 S C 0.421 174.981 174.600 -0.067 0.000 1.021 1714 S CA 0.316 58.493 58.200 -0.038 0.000 1.006 1714 S CB -0.761 62.428 63.200 -0.018 0.000 0.830 1714 S HN 0.706 nan 8.310 nan 0.000 0.468 1715 S N 2.417 118.059 115.700 -0.096 0.000 2.549 1715 S HA 0.375 4.845 4.470 0.000 0.000 0.279 1715 S C -1.569 172.963 174.600 -0.113 0.000 1.321 1715 S CA -0.780 57.361 58.200 -0.098 0.000 1.054 1715 S CB 0.689 63.825 63.200 -0.107 0.000 0.899 1715 S HN 0.358 nan 8.310 nan 0.000 0.497 1716 P HA 0.209 nan 4.420 nan 0.000 0.261 1716 P C 0.793 178.058 177.300 -0.058 0.000 1.352 1716 P CA -0.068 62.991 63.100 -0.069 0.000 0.891 1716 P CB 0.383 32.058 31.700 -0.041 0.000 1.383 1717 E N 1.147 121.308 120.200 -0.065 0.000 2.026 1717 E HA -0.236 4.114 4.350 0.000 0.000 0.206 1717 E C 1.399 177.988 176.600 -0.020 0.000 1.028 1717 E CA 1.794 58.176 56.400 -0.030 0.000 0.845 1717 E CB -0.509 29.171 29.700 -0.033 0.000 0.772 1717 E HN -0.049 nan 8.360 nan 0.000 0.462 1718 M N -3.407 116.151 119.600 -0.070 0.000 2.912 1718 M HA -0.227 4.253 4.480 0.000 0.000 0.183 1718 M C 0.392 176.671 176.300 -0.035 0.000 0.641 1718 M CA 1.782 57.057 55.300 -0.042 0.000 0.699 1718 M CB -1.390 31.218 32.600 0.014 0.000 2.519 1718 M HN 0.661 nan 8.290 nan 0.000 0.278 1719 G N -0.856 107.946 108.800 0.004 0.000 2.617 1719 G HA2 0.040 4.000 3.960 0.000 0.000 0.686 1719 G HA3 0.040 4.000 3.960 0.000 0.000 0.686 1719 G C -0.413 174.614 174.900 0.211 0.000 1.214 1719 G CA -0.167 44.965 45.100 0.053 0.000 0.796 1719 G HN 0.279 nan 8.290 nan 0.000 0.654 1720 Q N 0.145 120.161 119.800 0.359 0.000 2.349 1720 Q HA 0.174 4.514 4.340 0.000 0.000 0.209 1720 Q C 0.826 176.990 176.000 0.274 0.000 0.920 1720 Q CA 1.979 57.898 55.803 0.192 0.000 0.901 1720 Q CB 0.659 29.371 28.738 -0.043 0.000 1.021 1720 Q HN 0.955 nan 8.270 nan 0.000 0.519 1721 D N -2.506 118.031 120.400 0.227 0.000 2.653 1721 D HA -0.024 4.616 4.640 0.000 0.000 0.258 1721 D C 0.219 176.652 176.300 0.221 0.000 1.252 1721 D CA -0.673 53.528 54.000 0.335 0.000 0.777 1721 D CB 0.068 41.000 40.800 0.221 0.000 1.339 1721 D HN -0.166 nan 8.370 nan 0.000 0.422 1722 F N 1.290 121.355 119.950 0.192 0.000 2.147 1722 F HA -0.224 4.303 4.527 0.000 0.000 0.301 1722 F C 1.529 177.276 175.800 -0.088 0.000 1.084 1722 F CA 1.928 59.922 58.000 -0.011 0.000 1.268 1722 F CB -0.190 38.737 39.000 -0.122 0.000 1.009 1722 F HN 0.304 nan 8.300 nan 0.000 0.486 1723 D N -1.339 118.982 120.400 -0.132 0.000 2.077 1723 D HA -0.238 4.402 4.640 0.000 0.000 0.196 1723 D C 2.272 178.508 176.300 -0.107 0.000 0.986 1723 D CA 1.564 55.449 54.000 -0.191 0.000 0.829 1723 D CB -0.796 39.971 40.800 -0.055 0.000 0.983 1723 D HN 0.476 nan 8.370 nan 0.000 0.453 1724 H N 0.910 119.906 119.070 -0.122 0.000 2.321 1724 H HA -0.131 4.425 4.556 0.000 0.000 0.295 1724 H C 2.155 177.399 175.328 -0.139 0.000 1.102 1724 H CA 1.290 57.272 56.048 -0.109 0.000 1.266 1724 H CB 0.215 29.929 29.762 -0.080 0.000 1.363 1724 H HN -0.069 nan 8.280 nan 0.000 0.492 1725 V N 0.388 120.161 119.914 -0.235 0.000 2.407 1725 V HA -0.229 3.891 4.120 0.000 0.000 0.248 1725 V C 2.554 178.567 176.094 -0.134 0.000 1.055 1725 V CA 2.035 64.187 62.300 -0.247 0.000 1.049 1725 V CB -0.808 30.858 31.823 -0.262 0.000 0.662 1725 V HN 0.520 nan 8.190 nan 0.000 0.455 1726 T N 0.585 115.039 114.554 -0.168 0.000 2.720 1726 T HA -0.194 4.156 4.350 0.000 0.000 0.268 1726 T C 1.877 176.497 174.700 -0.133 0.000 1.037 1726 T CA 1.677 63.694 62.100 -0.140 0.000 1.144 1726 T CB -0.326 68.365 68.868 -0.295 0.000 0.864 1726 T HN 0.225 nan 8.240 nan 0.000 0.444 1727 L N 0.056 121.193 121.223 -0.144 0.000 2.005 1727 L HA 0.021 4.361 4.340 0.000 0.000 0.207 1727 L C 2.337 179.137 176.870 -0.117 0.000 1.072 1727 L CA 1.181 55.954 54.840 -0.112 0.000 0.744 1727 L CB -0.785 41.221 42.059 -0.088 0.000 0.895 1727 L HN 0.150 nan 8.230 nan 0.000 0.433 1728 L N -0.666 120.440 121.223 -0.196 0.000 2.013 1728 L HA -0.269 4.071 4.340 0.000 0.000 0.212 1728 L C 2.765 179.598 176.870 -0.062 0.000 1.073 1728 L CA 1.801 56.538 54.840 -0.172 0.000 0.753 1728 L CB -0.579 41.309 42.059 -0.285 0.000 0.890 1728 L HN 0.218 nan 8.230 nan 0.000 0.432 1729 R N -0.582 119.877 120.500 -0.069 0.000 2.073 1729 R HA -0.143 4.197 4.340 0.000 0.000 0.229 1729 R C 1.860 178.161 176.300 0.003 0.000 1.120 1729 R CA 1.634 57.718 56.100 -0.027 0.000 0.967 1729 R CB -0.167 30.076 30.300 -0.094 0.000 0.862 1729 R HN 0.319 nan 8.270 nan 0.000 0.436 1730 D N 0.446 120.819 120.400 -0.044 0.000 2.097 1730 D HA -0.153 4.487 4.640 0.000 0.000 0.195 1730 D C 1.704 178.011 176.300 0.011 0.000 0.989 1730 D CA 1.219 55.200 54.000 -0.033 0.000 0.827 1730 D CB -0.092 40.676 40.800 -0.054 0.000 0.966 1730 D HN 0.176 nan 8.370 nan 0.000 0.456 1731 K N -0.598 119.813 120.400 0.019 0.000 2.032 1731 K HA -0.166 4.154 4.320 0.000 0.000 0.209 1731 K C 2.064 178.721 176.600 0.096 0.000 1.048 1731 K CA 0.995 57.308 56.287 0.043 0.000 0.927 1731 K CB -0.294 32.220 32.500 0.022 0.000 0.712 1731 K HN 0.059 nan 8.250 nan 0.000 0.441 1732 F N 1.441 121.376 119.950 -0.024 0.000 2.206 1732 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 1732 F C 2.461 178.312 175.800 0.086 0.000 1.090 1732 F CA 1.435 59.444 58.000 0.016 0.000 1.323 1732 F CB -0.119 38.851 39.000 -0.051 0.000 1.028 1732 F HN -0.017 nan 8.300 nan 0.000 0.492 1733 R N 0.554 121.133 120.500 0.131 0.000 2.094 1733 R HA -0.216 4.124 4.340 0.000 0.000 0.239 1733 R C 1.866 178.151 176.300 -0.026 0.000 1.137 1733 R CA 2.455 58.583 56.100 0.045 0.000 0.943 1733 R CB -0.745 29.572 30.300 0.029 0.000 0.850 1733 R HN 0.178 nan 8.270 nan 0.000 0.433 1734 D N -0.021 120.374 120.400 -0.008 0.000 2.103 1734 D HA -0.233 4.407 4.640 0.000 0.000 0.190 1734 D C 1.612 177.887 176.300 -0.043 0.000 0.997 1734 D CA 1.714 55.705 54.000 -0.015 0.000 0.833 1734 D CB -0.556 40.251 40.800 0.012 0.000 0.961 1734 D HN 0.320 nan 8.370 nan 0.000 0.447 1735 F N 1.179 120.994 119.950 -0.225 0.000 2.126 1735 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 1735 F C 2.146 177.732 175.800 -0.356 0.000 1.096 1735 F CA 1.831 59.656 58.000 -0.292 0.000 1.255 1735 F CB -0.126 38.643 39.000 -0.384 0.000 0.997 1735 F HN -0.045 nan 8.300 nan 0.000 0.479 1736 A N 0.735 123.364 122.820 -0.318 0.000 1.855 1736 A HA -0.189 4.131 4.320 0.000 0.000 0.215 1736 A C 2.357 179.818 177.584 -0.206 0.000 1.191 1736 A CA 1.676 53.524 52.037 -0.316 0.000 0.613 1736 A CB -0.951 17.905 19.000 -0.240 0.000 0.829 1736 A HN 0.483 nan 8.150 nan 0.000 0.442 1737 R N -0.482 119.939 120.500 -0.132 0.000 2.083 1737 R HA -0.211 4.129 4.340 0.000 0.000 0.237 1737 R C 2.142 178.398 176.300 -0.073 0.000 1.137 1737 R CA 2.057 58.115 56.100 -0.072 0.000 0.951 1737 R CB -0.273 30.000 30.300 -0.045 0.000 0.851 1737 R HN 0.614 nan 8.270 nan 0.000 0.434 1738 E N -0.960 119.171 120.200 -0.115 0.000 2.047 1738 E HA -0.112 4.238 4.350 0.000 0.000 0.191 1738 E C 1.815 178.372 176.600 -0.072 0.000 0.987 1738 E CA 1.970 58.316 56.400 -0.089 0.000 0.799 1738 E CB 0.049 29.687 29.700 -0.104 0.000 0.752 1738 E HN 0.299 nan 8.360 nan 0.000 0.449 1739 T N -0.483 113.935 114.554 -0.226 0.000 2.788 1739 T HA -0.124 4.226 4.350 0.000 0.000 0.268 1739 T C 1.681 176.512 174.700 0.219 0.000 1.044 1739 T CA 1.097 63.129 62.100 -0.113 0.000 1.139 1739 T CB -0.549 67.972 68.868 -0.580 0.000 0.867 1739 T HN 0.378 nan 8.240 nan 0.000 0.454 1740 G N 1.181 110.050 108.800 0.116 0.000 2.414 1740 G HA2 -0.027 3.933 3.960 0.000 0.000 0.215 1740 G HA3 -0.027 3.933 3.960 0.000 0.000 0.215 1740 G C 1.856 176.903 174.900 0.244 0.000 1.188 1740 G CA 0.867 46.116 45.100 0.248 0.000 0.783 1740 G HN 0.558 nan 8.290 nan 0.000 0.537 1741 A N 0.730 123.615 122.820 0.107 0.000 1.865 1741 A HA -0.013 4.307 4.320 0.000 0.000 0.217 1741 A C 2.446 180.039 177.584 0.015 0.000 1.191 1741 A CA 1.595 53.664 52.037 0.053 0.000 0.623 1741 A CB -0.446 18.564 19.000 0.016 0.000 0.826 1741 A HN 0.379 nan 8.150 nan 0.000 0.444 1742 I N -0.486 120.095 120.570 0.017 0.000 2.163 1742 I HA -0.148 4.022 4.170 0.000 0.000 0.240 1742 I C 2.785 178.756 176.117 -0.244 0.000 1.081 1742 I CA 1.088 62.334 61.300 -0.090 0.000 1.353 1742 I CB -0.816 37.160 38.000 -0.040 0.000 1.054 1742 I HN 0.387 nan 8.210 nan 0.000 0.407 1743 G N 0.127 108.863 108.800 -0.107 0.000 2.529 1743 G HA2 -0.304 3.656 3.960 0.000 0.000 0.219 1743 G HA3 -0.304 3.656 3.960 0.000 0.000 0.219 1743 G C 1.584 175.989 174.900 -0.826 0.000 1.177 1743 G CA 0.637 45.416 45.100 -0.536 0.000 0.773 1743 G HN 0.270 nan 8.290 nan 0.000 0.573 1744 Q N 0.164 119.743 119.800 -0.367 0.000 2.112 1744 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 1744 Q C 2.422 178.278 176.000 -0.239 0.000 0.987 1744 Q CA 1.897 57.569 55.803 -0.218 0.000 0.858 1744 Q CB -0.404 28.388 28.738 0.090 0.000 0.905 1744 Q HN 0.815 nan 8.270 nan 0.000 0.420 1745 E N 0.281 120.355 120.200 -0.209 0.000 2.031 1745 E HA -0.178 4.172 4.350 0.000 0.000 0.193 1745 E C 1.995 178.447 176.600 -0.247 0.000 0.994 1745 E CA 1.022 57.310 56.400 -0.187 0.000 0.800 1745 E CB 0.050 29.654 29.700 -0.160 0.000 0.752 1745 E HN 0.231 nan 8.360 nan 0.000 0.447 1746 R N -0.024 120.265 120.500 -0.353 0.000 2.091 1746 R HA -0.120 4.220 4.340 0.000 0.000 0.238 1746 R C 2.461 178.557 176.300 -0.339 0.000 1.136 1746 R CA 1.508 57.381 56.100 -0.380 0.000 0.959 1746 R CB -0.316 29.662 30.300 -0.536 0.000 0.856 1746 R HN 0.164 nan 8.270 nan 0.000 0.437 1747 V N 1.338 120.992 119.914 -0.433 0.000 2.453 1747 V HA -0.175 3.945 4.120 0.000 0.000 0.247 1747 V C 1.458 177.434 176.094 -0.196 0.000 1.048 1747 V CA 1.728 63.809 62.300 -0.364 0.000 1.049 1747 V CB -0.371 31.079 31.823 -0.621 0.000 0.672 1747 V HN 0.215 nan 8.190 nan 0.000 0.457 1748 D N 0.363 120.659 120.400 -0.175 0.000 2.097 1748 D HA -0.135 4.505 4.640 0.000 0.000 0.195 1748 D C 2.076 178.335 176.300 -0.068 0.000 0.989 1748 D CA 1.080 55.026 54.000 -0.089 0.000 0.827 1748 D CB -0.439 40.318 40.800 -0.071 0.000 0.966 1748 D HN 0.312 nan 8.370 nan 0.000 0.456 1749 N N 0.295 118.937 118.700 -0.097 0.000 2.061 1749 N HA -0.123 4.617 4.740 0.000 0.000 0.193 1749 N C 1.973 177.470 175.510 -0.023 0.000 1.030 1749 N CA 0.624 53.629 53.050 -0.074 0.000 0.856 1749 N CB -0.476 37.937 38.487 -0.122 0.000 1.023 1749 N HN 0.093 nan 8.380 nan 0.000 0.424 1750 V N 1.222 121.110 119.914 -0.042 0.000 2.379 1750 V HA -0.159 3.961 4.120 0.000 0.000 0.245 1750 V C 1.760 177.890 176.094 0.060 0.000 1.044 1750 V CA 1.347 63.662 62.300 0.025 0.000 1.036 1750 V CB -0.629 31.188 31.823 -0.010 0.000 0.664 1750 V HN 0.267 nan 8.190 nan 0.000 0.453 1751 N N 0.608 119.318 118.700 0.016 0.000 2.058 1751 N HA -0.141 4.599 4.740 0.000 0.000 0.191 1751 N C 1.927 177.449 175.510 0.021 0.000 1.037 1751 N CA 1.695 54.757 53.050 0.019 0.000 0.848 1751 N CB -0.535 37.956 38.487 0.007 0.000 1.021 1751 N HN 0.438 nan 8.380 nan 0.000 0.422 1752 A N 0.349 123.184 122.820 0.025 0.000 1.873 1752 A HA -0.215 4.105 4.320 0.000 0.000 0.218 1752 A C 2.112 179.733 177.584 0.061 0.000 1.193 1752 A CA 1.460 53.516 52.037 0.031 0.000 0.629 1752 A CB -1.199 17.818 19.000 0.029 0.000 0.826 1752 A HN 0.367 nan 8.150 nan 0.000 0.447 1753 F N 0.606 120.515 119.950 -0.069 0.000 2.069 1753 F HA -0.179 4.348 4.527 0.000 0.000 0.298 1753 F C 2.106 177.850 175.800 -0.094 0.000 1.113 1753 F CA 1.576 59.525 58.000 -0.086 0.000 1.214 1753 F CB -0.423 38.526 39.000 -0.085 0.000 0.978 1753 F HN 0.199 nan 8.300 nan 0.000 0.474 1754 I N 0.069 120.590 120.570 -0.080 0.000 2.194 1754 I HA -0.336 3.834 4.170 0.000 0.000 0.246 1754 I C 2.170 178.156 176.117 -0.218 0.000 1.093 1754 I CA 1.903 63.089 61.300 -0.189 0.000 1.355 1754 I CB -0.590 37.373 38.000 -0.062 0.000 1.046 1754 I HN 0.250 nan 8.210 nan 0.000 0.413 1755 E N 0.179 120.297 120.200 -0.136 0.000 2.152 1755 E HA -0.221 4.129 4.350 0.000 0.000 0.192 1755 E C 2.207 178.719 176.600 -0.146 0.000 0.983 1755 E CA 0.613 56.942 56.400 -0.118 0.000 0.818 1755 E CB -0.103 29.558 29.700 -0.066 0.000 0.758 1755 E HN 0.372 nan 8.360 nan 0.000 0.467 1756 R N 0.742 121.131 120.500 -0.184 0.000 2.070 1756 R HA -0.177 4.163 4.340 0.000 0.000 0.233 1756 R C 1.995 178.141 176.300 -0.257 0.000 1.137 1756 R CA 1.185 57.167 56.100 -0.197 0.000 0.945 1756 R CB -0.229 29.955 30.300 -0.192 0.000 0.845 1756 R HN 0.092 nan 8.270 nan 0.000 0.430 1757 L N 1.054 122.026 121.223 -0.418 0.000 2.079 1757 L HA -0.138 4.202 4.340 0.000 0.000 0.210 1757 L C 2.234 178.988 176.870 -0.194 0.000 1.081 1757 L CA 1.571 56.195 54.840 -0.360 0.000 0.752 1757 L CB -0.480 41.240 42.059 -0.565 0.000 0.896 1757 L HN 0.315 nan 8.230 nan 0.000 0.433 1758 I N -1.163 119.288 120.570 -0.198 0.000 2.286 1758 I HA -0.222 3.948 4.170 0.000 0.000 0.245 1758 I C 2.022 178.087 176.117 -0.086 0.000 1.104 1758 I CA 0.782 62.005 61.300 -0.129 0.000 1.397 1758 I CB -0.335 37.586 38.000 -0.133 0.000 1.072 1758 I HN 0.171 nan 8.210 nan 0.000 0.417 1759 D N 1.530 121.877 120.400 -0.088 0.000 2.104 1759 D HA -0.070 4.570 4.640 0.000 0.000 0.194 1759 D C 1.010 177.279 176.300 -0.051 0.000 0.994 1759 D CA 1.138 55.100 54.000 -0.062 0.000 0.830 1759 D CB -0.235 40.530 40.800 -0.059 0.000 0.959 1759 D HN 0.279 nan 8.370 nan 0.000 0.452 1760 A N 0.365 123.151 122.820 -0.056 0.000 2.362 1760 A HA 0.527 4.847 4.320 0.000 0.000 0.276 1760 A C 0.887 178.453 177.584 -0.030 0.000 1.153 1760 A CA -0.003 52.011 52.037 -0.040 0.000 0.813 1760 A CB 0.564 19.541 19.000 -0.039 0.000 1.081 1760 A HN 0.121 nan 8.150 nan 0.000 0.507 1761 G N 1.905 110.689 108.800 -0.027 0.000 2.624 1761 G HA2 0.294 4.254 3.960 0.000 0.000 0.292 1761 G HA3 0.294 4.254 3.960 0.000 0.000 0.292 1761 G C 0.077 174.969 174.900 -0.013 0.000 0.777 1761 G CA 0.154 45.241 45.100 -0.023 0.000 1.883 1761 G HN 0.939 nan 8.290 nan 0.000 0.505 1762 H N 1.559 120.568 119.070 -0.101 0.000 2.525 1762 H HA 0.499 5.055 4.556 0.000 0.000 0.339 1762 H C 0.216 175.474 175.328 -0.117 0.000 1.109 1762 H CA -0.281 55.700 56.048 -0.113 0.000 1.352 1762 H CB 1.060 30.729 29.762 -0.156 0.000 1.461 1762 H HN 0.399 nan 8.280 nan 0.000 0.533 1763 S N 3.533 119.248 115.700 0.024 0.000 2.640 1763 S HA 0.291 4.761 4.470 0.000 0.000 0.320 1763 S C -0.966 173.715 174.600 0.136 0.000 1.097 1763 S CA -1.123 57.115 58.200 0.063 0.000 1.092 1763 S CB 1.422 64.601 63.200 -0.034 0.000 0.988 1763 S HN 0.644 nan 8.310 nan 0.000 0.470 1764 E N 2.526 122.828 120.200 0.170 0.000 2.028 1764 E HA 0.574 4.924 4.350 0.000 0.000 0.266 1764 E C 0.878 177.368 176.600 -0.183 0.000 0.962 1764 E CA -0.426 55.944 56.400 -0.050 0.000 0.784 1764 E CB 1.033 30.636 29.700 -0.162 0.000 1.114 1764 E HN 0.736 nan 8.360 nan 0.000 0.414 1765 A N 3.064 125.812 122.820 -0.120 0.000 1.930 1765 A HA -0.113 4.207 4.320 0.000 0.000 0.217 1765 A C 2.123 179.582 177.584 -0.208 0.000 1.175 1765 A CA 1.628 53.551 52.037 -0.189 0.000 0.627 1765 A CB -0.395 18.540 19.000 -0.109 0.000 0.815 1765 A HN 0.604 nan 8.150 nan 0.000 0.443 1766 A N -0.892 121.831 122.820 -0.160 0.000 1.940 1766 A HA -0.097 4.223 4.320 0.000 0.000 0.219 1766 A C 2.263 179.726 177.584 -0.201 0.000 1.176 1766 A CA 2.338 54.290 52.037 -0.141 0.000 0.631 1766 A CB -1.025 17.918 19.000 -0.095 0.000 0.814 1766 A HN 0.438 nan 8.150 nan 0.000 0.446 1767 T N 0.397 114.766 114.554 -0.308 0.000 2.937 1767 T HA 0.008 4.359 4.350 0.000 0.000 0.260 1767 T C 1.830 176.007 174.700 -0.871 0.000 1.051 1767 T CA 1.238 63.059 62.100 -0.465 0.000 1.141 1767 T CB -0.402 68.183 68.868 -0.470 0.000 0.879 1767 T HN 0.690 nan 8.240 nan 0.000 0.459 1768 I N 0.183 120.236 120.570 -0.862 0.000 2.617 1768 I HA 0.192 4.362 4.170 0.000 0.000 0.256 1768 I C 2.660 178.573 176.117 -0.340 0.000 1.167 1768 I CA 0.759 61.560 61.300 -0.832 0.000 1.469 1768 I CB -0.658 36.929 38.000 -0.689 0.000 1.098 1768 I HN 0.081 nan 8.210 nan 0.000 0.436 1769 A N 1.412 124.076 122.820 -0.260 0.000 1.972 1769 A HA -0.228 4.092 4.320 0.000 0.000 0.219 1769 A C 2.200 179.759 177.584 -0.042 0.000 1.169 1769 A CA 2.077 54.043 52.037 -0.120 0.000 0.635 1769 A CB -0.608 18.329 19.000 -0.105 0.000 0.810 1769 A HN 0.518 nan 8.150 nan 0.000 0.446 1770 E N -0.971 119.196 120.200 -0.054 0.000 2.072 1770 E HA -0.155 4.195 4.350 0.000 0.000 0.191 1770 E C 1.675 178.414 176.600 0.232 0.000 0.985 1770 E CA 1.323 57.767 56.400 0.073 0.000 0.801 1770 E CB -0.233 29.518 29.700 0.085 0.000 0.750 1770 E HN 0.752 nan 8.360 nan 0.000 0.452 1771 W N 1.380 122.667 121.300 -0.021 0.000 2.338 1771 W HA -0.094 4.566 4.660 -0.000 0.000 0.304 1771 W C 2.223 178.740 176.519 -0.004 0.000 1.212 1771 W CA 1.009 58.346 57.345 -0.012 0.000 1.264 1771 W CB -1.081 28.363 29.460 -0.028 0.000 1.142 1771 W HN 0.144 nan 8.180 nan 0.000 0.512 1772 K N 0.487 121.020 120.400 0.221 0.000 2.009 1772 K HA -0.219 4.101 4.320 0.000 0.000 0.210 1772 K C 1.561 178.225 176.600 0.108 0.000 1.049 1772 K CA 2.275 58.636 56.287 0.123 0.000 0.929 1772 K CB -0.423 32.112 32.500 0.059 0.000 0.714 1772 K HN -0.104 nan 8.250 nan 0.000 0.440 1773 D N -0.512 119.946 120.400 0.096 0.000 2.123 1773 D HA -0.117 4.523 4.640 0.000 0.000 0.196 1773 D C 1.746 178.104 176.300 0.096 0.000 0.992 1773 D CA 1.496 55.546 54.000 0.084 0.000 0.833 1773 D CB -0.369 40.470 40.800 0.065 0.000 0.954 1773 D HN 0.512 nan 8.370 nan 0.000 0.455 1774 G N -0.017 108.850 108.800 0.113 0.000 2.448 1774 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 1774 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 1774 G C 1.485 176.444 174.900 0.098 0.000 1.135 1774 G CA 0.356 45.516 45.100 0.100 0.000 0.784 1774 G HN 0.220 nan 8.290 nan 0.000 0.543 1775 L N 0.993 122.280 121.223 0.107 0.000 2.007 1775 L HA 0.137 4.477 4.340 0.000 0.000 0.205 1775 L C 2.219 179.184 176.870 0.159 0.000 1.073 1775 L CA 1.613 56.518 54.840 0.110 0.000 0.744 1775 L CB -0.694 41.413 42.059 0.081 0.000 0.898 1775 L HN 0.013 nan 8.230 nan 0.000 0.435 1776 N N 0.117 118.906 118.700 0.149 0.000 2.247 1776 N HA -0.251 4.489 4.740 0.000 0.000 0.189 1776 N C 1.797 177.426 175.510 0.198 0.000 1.009 1776 N CA 1.595 54.760 53.050 0.191 0.000 0.872 1776 N CB -0.115 38.453 38.487 0.136 0.000 0.980 1776 N HN 0.575 nan 8.380 nan 0.000 0.436 1777 E N -0.068 120.219 120.200 0.144 0.000 2.051 1777 E HA 0.040 4.390 4.350 0.000 0.000 0.189 1777 E C 2.012 178.680 176.600 0.114 0.000 0.979 1777 E CA 0.435 56.899 56.400 0.107 0.000 0.803 1777 E CB 0.084 29.834 29.700 0.082 0.000 0.761 1777 E HN 0.257 nan 8.360 nan 0.000 0.451 1778 M N -0.015 119.669 119.600 0.140 0.000 2.080 1778 M HA -0.222 4.258 4.480 0.000 0.000 0.260 1778 M C 2.235 178.665 176.300 0.216 0.000 1.068 1778 M CA 1.547 56.939 55.300 0.153 0.000 1.109 1778 M CB -0.505 32.194 32.600 0.166 0.000 1.342 1778 M HN 0.423 nan 8.290 nan 0.000 0.405 1779 W N 1.056 122.393 121.300 0.061 0.000 2.354 1779 W HA -0.208 4.452 4.660 0.000 0.000 0.315 1779 W C 2.342 178.894 176.519 0.055 0.000 1.206 1779 W CA 1.583 58.970 57.345 0.070 0.000 1.290 1779 W CB -0.269 29.236 29.460 0.075 0.000 1.152 1779 W HN 0.238 nan 8.180 nan 0.000 0.489 1780 A N 1.031 123.832 122.820 -0.031 0.000 1.917 1780 A HA -0.300 4.020 4.320 0.000 0.000 0.219 1780 A C 1.606 179.096 177.584 -0.156 0.000 1.182 1780 A CA 2.411 54.362 52.037 -0.143 0.000 0.633 1780 A CB -1.159 17.832 19.000 -0.014 0.000 0.819 1780 A HN 0.335 nan 8.150 nan 0.000 0.448 1781 D N -0.647 119.710 120.400 -0.073 0.000 2.117 1781 D HA -0.123 4.517 4.640 0.000 0.000 0.197 1781 D C 1.839 178.087 176.300 -0.088 0.000 0.987 1781 D CA 1.401 55.369 54.000 -0.053 0.000 0.829 1781 D CB -0.429 40.370 40.800 -0.002 0.000 0.961 1781 D HN 0.397 nan 8.370 nan 0.000 0.460 1782 L N 0.494 121.643 121.223 -0.124 0.000 2.093 1782 L HA -0.046 4.294 4.340 0.000 0.000 0.208 1782 L C 2.080 178.805 176.870 -0.241 0.000 1.085 1782 L CA 1.195 55.951 54.840 -0.139 0.000 0.755 1782 L CB -0.324 41.681 42.059 -0.090 0.000 0.904 1782 L HN -0.002 nan 8.230 nan 0.000 0.435 1783 L N -0.805 120.156 121.223 -0.437 0.000 2.093 1783 L HA -0.166 4.174 4.340 0.000 0.000 0.208 1783 L C 2.527 179.287 176.870 -0.184 0.000 1.085 1783 L CA 1.449 56.045 54.840 -0.406 0.000 0.755 1783 L CB -0.441 41.275 42.059 -0.573 0.000 0.904 1783 L HN 0.415 nan 8.230 nan 0.000 0.435 1784 E N 0.386 120.499 120.200 -0.145 0.000 2.107 1784 E HA -0.217 4.133 4.350 0.000 0.000 0.191 1784 E C 2.346 178.926 176.600 -0.033 0.000 0.982 1784 E CA 0.649 57.006 56.400 -0.072 0.000 0.809 1784 E CB 0.131 29.794 29.700 -0.061 0.000 0.756 1784 E HN 0.390 nan 8.360 nan 0.000 0.459 1785 L N 0.794 121.999 121.223 -0.030 0.000 1.994 1785 L HA -0.185 4.155 4.340 0.000 0.000 0.208 1785 L C 2.353 179.263 176.870 0.067 0.000 1.071 1785 L CA 1.097 55.941 54.840 0.008 0.000 0.745 1785 L CB -0.193 41.871 42.059 0.009 0.000 0.892 1785 L HN 0.226 nan 8.230 nan 0.000 0.431 1786 I N 0.146 120.778 120.570 0.104 0.000 2.145 1786 I HA -0.399 3.771 4.170 0.000 0.000 0.244 1786 I C 2.162 178.429 176.117 0.252 0.000 1.075 1786 I CA 2.007 63.467 61.300 0.267 0.000 1.332 1786 I CB -0.445 37.640 38.000 0.141 0.000 1.033 1786 I HN 0.447 nan 8.210 nan 0.000 0.410 1787 D N 0.424 120.886 120.400 0.103 0.000 2.117 1787 D HA -0.198 4.442 4.640 0.000 0.000 0.197 1787 D C 2.175 178.508 176.300 0.056 0.000 0.987 1787 D CA 2.087 56.133 54.000 0.077 0.000 0.829 1787 D CB 0.012 40.823 40.800 0.019 0.000 0.961 1787 D HN 0.397 nan 8.370 nan 0.000 0.460 1788 T N -2.078 112.490 114.554 0.023 0.000 2.915 1788 T HA -0.148 4.202 4.350 0.000 0.000 0.269 1788 T C 2.061 176.735 174.700 -0.044 0.000 1.071 1788 T CA 1.082 63.177 62.100 -0.009 0.000 1.132 1788 T CB -0.330 68.527 68.868 -0.018 0.000 0.878 1788 T HN 0.117 nan 8.240 nan 0.000 0.479 1789 R N -0.268 120.188 120.500 -0.073 0.000 2.119 1789 R HA 0.149 4.489 4.340 0.000 0.000 0.222 1789 R C 2.420 178.533 176.300 -0.312 0.000 1.088 1789 R CA 0.969 56.908 56.100 -0.270 0.000 0.984 1789 R CB -0.407 29.591 30.300 -0.503 0.000 0.884 1789 R HN 0.388 nan 8.270 nan 0.000 0.447 1790 M N 1.054 120.633 119.600 -0.034 0.000 2.065 1790 M HA -0.221 4.259 4.480 0.000 0.000 0.259 1790 M C 1.942 178.249 176.300 0.011 0.000 1.071 1790 M CA 1.963 57.317 55.300 0.091 0.000 1.109 1790 M CB -0.114 32.600 32.600 0.189 0.000 1.313 1790 M HN 0.177 nan 8.290 nan 0.000 0.408 1791 Q N -0.583 119.222 119.800 0.009 0.000 2.167 1791 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 1791 Q C 2.143 178.143 176.000 0.000 0.000 0.970 1791 Q CA 1.533 57.342 55.803 0.009 0.000 0.855 1791 Q CB -0.263 28.478 28.738 0.005 0.000 0.911 1791 Q HN 0.530 nan 8.270 nan 0.000 0.438 1792 L N 0.095 121.298 121.223 -0.034 0.000 2.056 1792 L HA -0.198 4.142 4.340 0.000 0.000 0.207 1792 L C 2.142 179.004 176.870 -0.013 0.000 1.078 1792 L CA 0.961 55.783 54.840 -0.029 0.000 0.749 1792 L CB -0.211 41.807 42.059 -0.068 0.000 0.901 1792 L HN 0.265 nan 8.230 nan 0.000 0.433 1793 L N -1.052 120.133 121.223 -0.063 0.000 2.109 1793 L HA -0.123 4.217 4.340 0.000 0.000 0.207 1793 L C 2.848 179.762 176.870 0.073 0.000 1.086 1793 L CA 0.797 55.620 54.840 -0.028 0.000 0.760 1793 L CB -0.715 41.276 42.059 -0.114 0.000 0.910 1793 L HN 0.222 nan 8.230 nan 0.000 0.437 1794 A N 0.573 123.431 122.820 0.064 0.000 1.873 1794 A HA -0.284 4.036 4.320 0.000 0.000 0.218 1794 A C 2.543 180.235 177.584 0.181 0.000 1.193 1794 A CA 2.218 54.322 52.037 0.111 0.000 0.629 1794 A CB -0.862 18.181 19.000 0.072 0.000 0.826 1794 A HN 0.406 nan 8.150 nan 0.000 0.447 1795 A N -1.218 121.688 122.820 0.143 0.000 1.902 1795 A HA -0.100 4.220 4.320 0.000 0.000 0.217 1795 A C 2.509 180.236 177.584 0.238 0.000 1.181 1795 A CA 2.279 54.425 52.037 0.182 0.000 0.623 1795 A CB -0.969 18.118 19.000 0.145 0.000 0.818 1795 A HN 0.602 nan 8.150 nan 0.000 0.443 1796 S N -2.117 113.712 115.700 0.216 0.000 2.383 1796 S HA -0.170 4.300 4.470 0.000 0.000 0.227 1796 S C 1.850 176.657 174.600 0.344 0.000 1.026 1796 S CA 1.448 59.808 58.200 0.267 0.000 0.981 1796 S CB -0.543 62.768 63.200 0.184 0.000 0.818 1796 S HN 0.642 nan 8.310 nan 0.000 0.472 1797 Y N 2.258 122.664 120.300 0.177 0.000 2.097 1797 Y HA -0.175 4.375 4.550 -0.000 0.000 0.282 1797 Y C 1.851 177.927 175.900 0.294 0.000 1.152 1797 Y CA 2.369 60.601 58.100 0.221 0.000 1.136 1797 Y CB -0.792 37.758 38.460 0.149 0.000 0.975 1797 Y HN 0.286 nan 8.280 nan 0.000 0.498 1798 D N 0.196 120.751 120.400 0.258 0.000 2.104 1798 D HA -0.226 4.414 4.640 0.000 0.000 0.194 1798 D C 2.240 178.600 176.300 0.100 0.000 0.994 1798 D CA 1.671 55.755 54.000 0.140 0.000 0.830 1798 D CB -0.596 40.312 40.800 0.180 0.000 0.959 1798 D HN 0.442 nan 8.370 nan 0.000 0.452 1799 L N 0.064 121.383 121.223 0.161 0.000 2.017 1799 L HA -0.203 4.137 4.340 0.000 0.000 0.208 1799 L C 2.307 179.341 176.870 0.273 0.000 1.073 1799 L CA 1.584 56.516 54.840 0.154 0.000 0.745 1799 L CB -0.203 41.905 42.059 0.081 0.000 0.894 1799 L HN 0.235 nan 8.230 nan 0.000 0.432 1800 H N -0.831 118.345 119.070 0.176 0.000 2.421 1800 H HA -0.177 4.379 4.556 0.000 0.000 0.298 1800 H C 2.314 177.606 175.328 -0.060 0.000 1.087 1800 H CA 1.651 57.807 56.048 0.179 0.000 1.330 1800 H CB 0.108 30.015 29.762 0.242 0.000 1.388 1800 H HN 0.365 nan 8.280 nan 0.000 0.526 1801 R N 0.158 120.525 120.500 -0.222 0.000 2.075 1801 R HA -0.162 4.178 4.340 0.000 0.000 0.232 1801 R C 2.228 178.368 176.300 -0.266 0.000 1.126 1801 R CA 1.122 56.761 56.100 -0.769 0.000 0.963 1801 R CB -0.330 29.588 30.300 -0.635 0.000 0.858 1801 R HN 0.258 nan 8.270 nan 0.000 0.435 1802 Y N 0.501 120.695 120.300 -0.176 0.000 2.053 1802 Y HA -0.275 4.275 4.550 0.000 0.000 0.277 1802 Y C 1.714 177.576 175.900 -0.064 0.000 1.159 1802 Y CA 2.074 60.088 58.100 -0.143 0.000 1.125 1802 Y CB -0.718 37.568 38.460 -0.291 0.000 0.969 1802 Y HN 0.004 nan 8.280 nan 0.000 0.492 1803 F N -1.464 118.468 119.950 -0.031 0.000 2.216 1803 F HA -0.198 4.329 4.527 0.000 0.000 0.300 1803 F C 2.292 178.023 175.800 -0.115 0.000 1.085 1803 F CA 1.704 59.636 58.000 -0.113 0.000 1.326 1803 F CB -0.858 38.126 39.000 -0.028 0.000 1.027 1803 F HN 0.208 nan 8.300 nan 0.000 0.497 1804 Y N 0.739 120.992 120.300 -0.079 0.000 2.220 1804 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 1804 Y C 2.427 178.210 175.900 -0.194 0.000 1.129 1804 Y CA 1.939 59.951 58.100 -0.147 0.000 1.161 1804 Y CB -0.721 37.544 38.460 -0.324 0.000 0.997 1804 Y HN -0.073 nan 8.280 nan 0.000 0.522 1805 T N -0.336 114.139 114.554 -0.131 0.000 2.708 1805 T HA -0.148 4.202 4.350 0.000 0.000 0.266 1805 T C 2.032 176.484 174.700 -0.414 0.000 1.037 1805 T CA 1.490 63.474 62.100 -0.193 0.000 1.146 1805 T CB -1.059 67.790 68.868 -0.032 0.000 0.865 1805 T HN 0.576 nan 8.240 nan 0.000 0.435 1806 G N 1.084 109.578 108.800 -0.510 0.000 2.422 1806 G HA2 -0.031 3.929 3.960 0.000 0.000 0.218 1806 G HA3 -0.031 3.929 3.960 0.000 0.000 0.218 1806 G C 1.836 176.447 174.900 -0.482 0.000 1.146 1806 G CA 0.873 45.482 45.100 -0.818 0.000 0.769 1806 G HN 0.583 nan 8.290 nan 0.000 0.547 1807 A N 1.591 124.219 122.820 -0.321 0.000 1.902 1807 A HA -0.053 4.267 4.320 0.000 0.000 0.217 1807 A C 2.222 179.633 177.584 -0.289 0.000 1.181 1807 A CA 2.067 53.955 52.037 -0.247 0.000 0.623 1807 A CB -0.403 18.481 19.000 -0.192 0.000 0.818 1807 A HN 0.625 nan 8.150 nan 0.000 0.443 1808 E N -0.627 119.349 120.200 -0.373 0.000 2.250 1808 E HA 0.046 4.396 4.350 0.000 0.000 0.192 1808 E C 1.776 178.224 176.600 -0.254 0.000 0.986 1808 E CA 0.557 56.769 56.400 -0.314 0.000 0.849 1808 E CB -0.379 29.098 29.700 -0.371 0.000 0.797 1808 E HN 0.550 nan 8.360 nan 0.000 0.482 1809 I N 1.232 121.610 120.570 -0.320 0.000 2.264 1809 I HA -0.260 3.910 4.170 0.000 0.000 0.248 1809 I C 2.270 178.250 176.117 -0.228 0.000 1.111 1809 I CA 1.115 62.236 61.300 -0.299 0.000 1.382 1809 I CB -0.125 37.596 38.000 -0.466 0.000 1.060 1809 I HN 0.195 nan 8.210 nan 0.000 0.418 1810 L N 0.058 121.135 121.223 -0.244 0.000 2.141 1810 L HA -0.117 4.223 4.340 0.000 0.000 0.209 1810 L C 2.606 179.405 176.870 -0.119 0.000 1.094 1810 L CA 1.327 56.068 54.840 -0.166 0.000 0.763 1810 L CB -0.985 40.975 42.059 -0.164 0.000 0.908 1810 L HN 0.287 nan 8.230 nan 0.000 0.437 1811 G N 0.112 108.836 108.800 -0.127 0.000 2.408 1811 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 1811 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 1811 G C 1.595 176.458 174.900 -0.063 0.000 1.150 1811 G CA 0.404 45.449 45.100 -0.091 0.000 0.776 1811 G HN 0.252 nan 8.290 nan 0.000 0.542 1812 L N -0.067 121.113 121.223 -0.070 0.000 2.291 1812 L HA 0.134 4.474 4.340 0.000 0.000 0.214 1812 L C 2.630 179.502 176.870 0.004 0.000 1.120 1812 L CA 0.200 55.020 54.840 -0.034 0.000 0.799 1812 L CB -0.166 41.867 42.059 -0.044 0.000 0.925 1812 L HN 0.178 nan 8.230 nan 0.000 0.446 1813 I N -0.331 120.238 120.570 -0.002 0.000 2.233 1813 I HA -0.246 3.924 4.170 0.000 0.000 0.243 1813 I C 1.948 178.107 176.117 0.071 0.000 1.093 1813 I CA 1.189 62.519 61.300 0.049 0.000 1.380 1813 I CB -0.139 37.875 38.000 0.023 0.000 1.067 1813 I HN 0.150 nan 8.210 nan 0.000 0.413 1814 D N 0.480 120.883 120.400 0.005 0.000 2.264 1814 D HA -0.206 4.434 4.640 0.000 0.000 0.208 1814 D C 1.744 178.072 176.300 0.046 0.000 0.966 1814 D CA 0.721 54.730 54.000 0.015 0.000 0.864 1814 D CB -0.082 40.701 40.800 -0.029 0.000 0.933 1814 D HN 0.162 nan 8.370 nan 0.000 0.499 1815 E N -0.523 119.694 120.200 0.029 0.000 2.482 1815 E HA -0.100 4.250 4.350 0.000 0.000 0.200 1815 E C 1.126 177.745 176.600 0.031 0.000 1.147 1815 E CA 0.719 57.132 56.400 0.022 0.000 0.912 1815 E CB 0.113 29.818 29.700 0.008 0.000 0.938 1815 E HN -0.042 nan 8.360 nan 0.000 0.519 1816 K N -1.737 118.701 120.400 0.064 0.000 2.567 1816 K HA 0.207 4.527 4.320 0.000 0.000 0.199 1816 K C 0.109 176.699 176.600 -0.018 0.000 1.412 1816 K CA 0.070 56.371 56.287 0.023 0.000 1.020 1816 K CB 0.279 32.799 32.500 0.033 0.000 1.487 1816 K HN 0.125 nan 8.250 nan 0.000 0.531 1842 E N 0.380 120.661 120.200 0.135 0.000 2.476 1842 E HA 0.201 4.551 4.350 0.000 0.000 0.196 1842 E C 1.177 177.882 176.600 0.175 0.000 1.029 1842 E CA -0.108 56.317 56.400 0.041 0.000 0.896 1842 E CB 0.505 30.186 29.700 -0.031 0.000 1.012 1842 E HN 0.224 nan 8.360 nan 0.000 0.475 1843 R N 0.598 121.246 120.500 0.247 0.000 2.308 1843 R HA -0.013 4.327 4.340 0.000 0.000 0.202 1843 R C 0.572 176.990 176.300 0.196 0.000 0.898 1843 R CA 0.324 56.571 56.100 0.244 0.000 1.046 1843 R CB 0.430 30.851 30.300 0.202 0.000 1.026 1843 R HN 0.024 nan 8.270 nan 0.000 0.512 1844 D N 0.133 120.622 120.400 0.148 0.000 2.117 1844 D HA -0.147 4.493 4.640 0.000 0.000 0.197 1844 D C 1.790 178.162 176.300 0.119 0.000 0.987 1844 D CA 1.111 55.179 54.000 0.112 0.000 0.829 1844 D CB 0.020 40.867 40.800 0.079 0.000 0.961 1844 D HN -0.003 nan 8.370 nan 0.000 0.460 1845 V N 0.618 120.598 119.914 0.111 0.000 2.332 1845 V HA -0.240 3.880 4.120 0.000 0.000 0.248 1845 V C 2.224 178.432 176.094 0.190 0.000 1.055 1845 V CA 1.526 63.897 62.300 0.118 0.000 1.038 1845 V CB -0.578 31.266 31.823 0.036 0.000 0.651 1845 V HN 0.344 nan 8.190 nan 0.000 0.450 1846 H N -0.974 118.176 119.070 0.133 0.000 2.545 1846 H HA 0.024 4.580 4.556 -0.000 0.000 0.282 1846 H C 1.826 177.222 175.328 0.113 0.000 1.020 1846 H CA 1.058 57.191 56.048 0.141 0.000 1.243 1846 H CB 0.298 30.126 29.762 0.110 0.000 1.377 1846 H HN 0.296 nan 8.280 nan 0.000 0.581 1847 L N -0.781 120.574 121.223 0.220 0.000 2.408 1847 L HA 0.033 4.373 4.340 0.000 0.000 0.215 1847 L C 2.431 179.356 176.870 0.091 0.000 1.081 1847 L CA 0.399 55.317 54.840 0.130 0.000 0.840 1847 L CB -0.184 41.932 42.059 0.094 0.000 1.002 1847 L HN 0.158 nan 8.230 nan 0.000 0.468 1848 L N -0.744 120.543 121.223 0.106 0.000 2.083 1848 L HA -0.146 4.194 4.340 0.000 0.000 0.209 1848 L C 2.408 179.275 176.870 -0.005 0.000 1.083 1848 L CA 1.435 56.312 54.840 0.062 0.000 0.752 1848 L CB -0.945 41.183 42.059 0.115 0.000 0.899 1848 L HN 0.438 nan 8.230 nan 0.000 0.433 1849 G N -0.616 108.254 108.800 0.117 0.000 2.475 1849 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 1849 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 1849 G C 1.497 176.308 174.900 -0.149 0.000 1.125 1849 G CA 1.089 46.182 45.100 -0.011 0.000 0.755 1849 G HN 0.287 nan 8.290 nan 0.000 0.565 1850 V N 0.048 119.950 119.914 -0.020 0.000 2.453 1850 V HA -0.136 3.984 4.120 0.000 0.000 0.247 1850 V C 2.869 178.920 176.094 -0.071 0.000 1.048 1850 V CA 1.552 63.833 62.300 -0.031 0.000 1.049 1850 V CB -0.375 31.458 31.823 0.017 0.000 0.672 1850 V HN 0.272 nan 8.190 nan 0.000 0.457 1851 Q N 0.095 119.850 119.800 -0.075 0.000 2.050 1851 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 1851 Q C 2.477 178.404 176.000 -0.121 0.000 0.980 1851 Q CA 1.603 57.359 55.803 -0.078 0.000 0.840 1851 Q CB -0.585 28.109 28.738 -0.073 0.000 0.898 1851 Q HN 0.564 nan 8.270 nan 0.000 0.424 1852 V N 1.435 121.194 119.914 -0.258 0.000 2.295 1852 V HA -0.248 3.872 4.120 0.000 0.000 0.246 1852 V C 2.485 178.444 176.094 -0.225 0.000 1.049 1852 V CA 1.638 63.733 62.300 -0.343 0.000 1.024 1852 V CB -0.550 30.780 31.823 -0.820 0.000 0.648 1852 V HN 0.355 nan 8.190 nan 0.000 0.447 1853 Q N -0.367 119.260 119.800 -0.288 0.000 2.135 1853 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 1853 Q C 2.342 178.299 176.000 -0.072 0.000 0.981 1853 Q CA 1.846 57.539 55.803 -0.182 0.000 0.856 1853 Q CB -0.187 28.456 28.738 -0.158 0.000 0.902 1853 Q HN 0.722 nan 8.270 nan 0.000 0.425 1854 Q N -0.817 118.960 119.800 -0.038 0.000 2.079 1854 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 1854 Q C 1.782 177.804 176.000 0.037 0.000 0.974 1854 Q CA 1.123 56.928 55.803 0.003 0.000 0.840 1854 Q CB -0.185 28.562 28.738 0.016 0.000 0.898 1854 Q HN 0.294 nan 8.270 nan 0.000 0.430 1855 F N 1.549 121.441 119.950 -0.095 0.000 2.216 1855 F HA -0.188 4.339 4.527 0.000 0.000 0.300 1855 F C 1.942 177.726 175.800 -0.026 0.000 1.085 1855 F CA 1.417 59.371 58.000 -0.077 0.000 1.326 1855 F CB 0.112 39.018 39.000 -0.156 0.000 1.027 1855 F HN 0.015 nan 8.300 nan 0.000 0.497 1856 Q N -0.195 119.585 119.800 -0.034 0.000 2.172 1856 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 1856 Q C 1.583 177.510 176.000 -0.121 0.000 0.964 1856 Q CA 1.486 57.230 55.803 -0.098 0.000 0.855 1856 Q CB -0.200 28.517 28.738 -0.035 0.000 0.918 1856 Q HN 0.385 nan 8.270 nan 0.000 0.444 1857 D N -0.091 120.257 120.400 -0.088 0.000 2.178 1857 D HA -0.100 4.540 4.640 0.000 0.000 0.202 1857 D C 1.879 178.117 176.300 -0.102 0.000 0.974 1857 D CA 0.685 54.640 54.000 -0.075 0.000 0.841 1857 D CB 0.015 40.789 40.800 -0.044 0.000 0.953 1857 D HN 0.018 nan 8.370 nan 0.000 0.478 1858 V N 1.179 121.014 119.914 -0.131 0.000 2.270 1858 V HA -0.199 3.921 4.120 0.000 0.000 0.245 1858 V C 2.501 178.430 176.094 -0.275 0.000 1.043 1858 V CA 1.726 63.934 62.300 -0.153 0.000 1.014 1858 V CB -0.827 30.941 31.823 -0.092 0.000 0.645 1858 V HN 0.188 nan 8.190 nan 0.000 0.447 1859 A N -0.254 122.353 122.820 -0.355 0.000 1.917 1859 A HA -0.275 4.046 4.320 0.000 0.000 0.219 1859 A C 2.385 179.804 177.584 -0.276 0.000 1.182 1859 A CA 2.719 54.501 52.037 -0.426 0.000 0.633 1859 A CB -1.071 17.737 19.000 -0.320 0.000 0.819 1859 A HN 0.516 nan 8.150 nan 0.000 0.448 1860 T N -0.861 113.584 114.554 -0.181 0.000 2.708 1860 T HA -0.162 4.188 4.350 0.000 0.000 0.266 1860 T C 2.106 176.745 174.700 -0.103 0.000 1.037 1860 T CA 1.419 63.450 62.100 -0.115 0.000 1.146 1860 T CB -0.256 68.565 68.868 -0.080 0.000 0.865 1860 T HN 0.517 nan 8.240 nan 0.000 0.435 1861 R N 0.743 121.178 120.500 -0.107 0.000 2.081 1861 R HA -0.009 4.331 4.340 0.000 0.000 0.235 1861 R C 2.402 178.655 176.300 -0.079 0.000 1.131 1861 R CA 1.169 57.221 56.100 -0.080 0.000 0.960 1861 R CB -0.545 29.715 30.300 -0.068 0.000 0.856 1861 R HN 0.399 nan 8.270 nan 0.000 0.436 1862 L N 0.892 122.039 121.223 -0.127 0.000 2.131 1862 L HA -0.179 4.161 4.340 0.000 0.000 0.210 1862 L C 2.576 179.460 176.870 0.024 0.000 1.092 1862 L CA 0.967 55.768 54.840 -0.065 0.000 0.759 1862 L CB -0.458 41.443 42.059 -0.264 0.000 0.903 1862 L HN 0.212 nan 8.230 nan 0.000 0.435 1863 Q N -0.377 119.392 119.800 -0.051 0.000 2.297 1863 Q HA -0.163 4.177 4.340 0.000 0.000 0.208 1863 Q C 2.151 178.146 176.000 -0.008 0.000 0.981 1863 Q CA 1.738 57.530 55.803 -0.018 0.000 0.876 1863 Q CB -0.494 28.217 28.738 -0.045 0.000 0.921 1863 Q HN 0.516 nan 8.270 nan 0.000 0.446 1864 T N 0.333 114.869 114.554 -0.029 0.000 2.904 1864 T HA 0.014 4.364 4.350 0.000 0.000 0.267 1864 T C 1.593 176.242 174.700 -0.085 0.000 1.059 1864 T CA 1.113 63.185 62.100 -0.047 0.000 1.137 1864 T CB 0.032 68.870 68.868 -0.051 0.000 0.879 1864 T HN 0.352 nan 8.240 nan 0.000 0.467 1865 A N -0.404 122.352 122.820 -0.107 0.000 2.267 1865 A HA 0.437 4.757 4.320 0.000 0.000 0.213 1865 A C -0.066 177.135 177.584 -0.638 0.000 1.192 1865 A CA 0.029 51.861 52.037 -0.341 0.000 0.851 1865 A CB 0.032 18.817 19.000 -0.359 0.000 0.881 1865 A HN 0.482 nan 8.150 nan 0.000 0.494 1866 Y N -2.221 118.049 120.300 -0.050 0.000 2.562 1866 Y HA 0.652 5.202 4.550 0.000 0.000 0.345 1866 Y C 0.097 175.978 175.900 -0.032 0.000 1.045 1866 Y CA -0.569 57.508 58.100 -0.038 0.000 1.028 1866 Y CB 1.860 40.294 38.460 -0.043 0.000 1.297 1866 Y HN 0.143 nan 8.280 nan 0.000 0.463 1867 A N 0.727 123.635 122.820 0.146 0.000 2.566 1867 A HA 0.866 5.186 4.320 0.000 0.000 0.292 1867 A C 0.165 177.797 177.584 0.080 0.000 1.112 1867 A CA -0.250 51.834 52.037 0.079 0.000 0.707 1867 A CB 1.048 20.070 19.000 0.036 0.000 1.302 1867 A HN 1.702 nan 8.150 nan 0.000 0.409 1868 G N 0.130 108.960 108.800 0.050 0.000 2.569 1868 G HA2 -0.254 3.706 3.960 0.000 0.000 0.259 1868 G HA3 -0.254 3.706 3.960 0.000 0.000 0.259 1868 G C 0.918 175.840 174.900 0.038 0.000 1.263 1868 G CA 0.992 46.115 45.100 0.039 0.000 0.928 1868 G HN 1.320 nan 8.290 nan 0.000 0.572 1869 E N -0.372 119.845 120.200 0.029 0.000 2.108 1869 E HA -0.309 4.041 4.350 0.000 0.000 0.203 1869 E C 2.424 179.033 176.600 0.015 0.000 1.022 1869 E CA 2.235 58.646 56.400 0.018 0.000 0.823 1869 E CB -0.160 29.545 29.700 0.008 0.000 0.744 1869 E HN 0.334 nan 8.360 nan 0.000 0.456 1870 K N 0.127 120.535 120.400 0.014 0.000 2.025 1870 K HA -0.016 4.304 4.320 0.000 0.000 0.207 1870 K C 1.812 178.392 176.600 -0.033 0.000 1.049 1870 K CA 1.348 57.613 56.287 -0.036 0.000 0.933 1870 K CB -0.623 31.830 32.500 -0.078 0.000 0.714 1870 K HN 0.223 nan 8.250 nan 0.000 0.438 1871 A N 1.058 123.896 122.820 0.030 0.000 1.883 1871 A HA -0.239 4.081 4.320 0.000 0.000 0.217 1871 A C 1.999 179.592 177.584 0.016 0.000 1.186 1871 A CA 2.038 54.095 52.037 0.033 0.000 0.624 1871 A CB -0.580 18.462 19.000 0.070 0.000 0.822 1871 A HN 0.458 nan 8.150 nan 0.000 0.444 1872 E N -0.331 119.886 120.200 0.030 0.000 2.031 1872 E HA -0.131 4.219 4.350 0.000 0.000 0.193 1872 E C 2.404 179.042 176.600 0.063 0.000 0.994 1872 E CA 0.940 57.362 56.400 0.036 0.000 0.800 1872 E CB -0.381 29.339 29.700 0.032 0.000 0.752 1872 E HN 0.606 nan 8.360 nan 0.000 0.447 1873 A N 1.495 124.365 122.820 0.083 0.000 1.903 1873 A HA -0.248 4.072 4.320 0.000 0.000 0.219 1873 A C 2.224 179.971 177.584 0.273 0.000 1.191 1873 A CA 1.585 53.724 52.037 0.170 0.000 0.638 1873 A CB -0.835 18.256 19.000 0.153 0.000 0.823 1873 A HN 0.171 nan 8.150 nan 0.000 0.451 1874 I N -1.137 119.534 120.570 0.168 0.000 2.142 1874 I HA -0.324 3.846 4.170 0.000 0.000 0.240 1874 I C 2.849 178.992 176.117 0.043 0.000 1.078 1874 I CA 1.874 63.183 61.300 0.015 0.000 1.343 1874 I CB -0.453 37.380 38.000 -0.278 0.000 1.046 1874 I HN 0.462 nan 8.210 nan 0.000 0.405 1875 Q N 0.798 120.610 119.800 0.021 0.000 2.096 1875 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 1875 Q C 1.936 177.977 176.000 0.068 0.000 0.982 1875 Q CA 2.045 57.865 55.803 0.028 0.000 0.850 1875 Q CB -0.142 28.606 28.738 0.017 0.000 0.901 1875 Q HN 0.586 nan 8.270 nan 0.000 0.422 1876 N N -0.212 118.541 118.700 0.088 0.000 2.018 1876 N HA -0.199 4.541 4.740 0.000 0.000 0.196 1876 N C 1.664 177.241 175.510 0.112 0.000 1.043 1876 N CA 1.162 54.270 53.050 0.096 0.000 0.856 1876 N CB -0.016 38.535 38.487 0.107 0.000 1.042 1876 N HN 0.027 nan 8.380 nan 0.000 0.423 1877 K N 1.190 121.678 120.400 0.148 0.000 2.097 1877 K HA -0.126 4.194 4.320 0.000 0.000 0.206 1877 K C 1.881 178.597 176.600 0.195 0.000 1.049 1877 K CA 0.774 57.139 56.287 0.131 0.000 0.933 1877 K CB -0.337 32.199 32.500 0.059 0.000 0.717 1877 K HN 0.330 nan 8.250 nan 0.000 0.442 1878 E N 1.479 121.816 120.200 0.229 0.000 2.077 1878 E HA -0.197 4.153 4.350 0.000 0.000 0.193 1878 E C 1.802 178.508 176.600 0.176 0.000 0.989 1878 E CA 1.299 57.860 56.400 0.267 0.000 0.800 1878 E CB 0.171 29.924 29.700 0.088 0.000 0.746 1878 E HN 0.370 nan 8.360 nan 0.000 0.452 1879 Q N 0.338 120.206 119.800 0.114 0.000 2.016 1879 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 1879 Q C 2.259 178.306 176.000 0.079 0.000 0.978 1879 Q CA 1.527 57.382 55.803 0.086 0.000 0.833 1879 Q CB -0.174 28.602 28.738 0.063 0.000 0.895 1879 Q HN 0.351 nan 8.270 nan 0.000 0.427 1880 E N 0.222 120.462 120.200 0.066 0.000 2.065 1880 E HA -0.235 4.115 4.350 0.000 0.000 0.201 1880 E C 1.974 178.589 176.600 0.025 0.000 1.016 1880 E CA 1.642 58.063 56.400 0.036 0.000 0.818 1880 E CB 0.051 29.764 29.700 0.022 0.000 0.749 1880 E HN 0.145 nan 8.360 nan 0.000 0.453 1881 V N 0.592 120.520 119.914 0.023 0.000 2.295 1881 V HA -0.253 3.867 4.120 0.000 0.000 0.246 1881 V C 2.451 178.594 176.094 0.081 0.000 1.049 1881 V CA 1.998 64.282 62.300 -0.026 0.000 1.024 1881 V CB -0.456 31.264 31.823 -0.172 0.000 0.648 1881 V HN 0.274 nan 8.190 nan 0.000 0.447 1882 S N 0.216 115.996 115.700 0.134 0.000 2.368 1882 S HA -0.183 4.287 4.470 0.000 0.000 0.225 1882 S C 2.233 176.962 174.600 0.216 0.000 1.030 1882 S CA 1.381 59.710 58.200 0.215 0.000 0.999 1882 S CB -0.577 62.729 63.200 0.177 0.000 0.844 1882 S HN 0.655 nan 8.310 nan 0.000 0.459 1883 A N 1.976 124.868 122.820 0.120 0.000 1.873 1883 A HA -0.044 4.276 4.320 0.000 0.000 0.218 1883 A C 2.416 180.035 177.584 0.057 0.000 1.193 1883 A CA 2.023 54.103 52.037 0.070 0.000 0.629 1883 A CB -1.348 17.675 19.000 0.037 0.000 0.826 1883 A HN 0.556 nan 8.150 nan 0.000 0.447 1884 A N -2.121 120.730 122.820 0.051 0.000 1.972 1884 A HA -0.151 4.169 4.320 0.000 0.000 0.219 1884 A C 1.963 179.596 177.584 0.082 0.000 1.169 1884 A CA 1.690 53.736 52.037 0.016 0.000 0.635 1884 A CB -0.777 18.212 19.000 -0.018 0.000 0.810 1884 A HN 0.912 nan 8.150 nan 0.000 0.446 1885 W N 0.320 121.596 121.300 -0.040 0.000 2.441 1885 W HA -0.085 4.575 4.660 -0.000 0.000 0.302 1885 W C 2.140 178.656 176.519 -0.004 0.000 1.191 1885 W CA 1.701 59.033 57.345 -0.021 0.000 1.327 1885 W CB -0.345 29.100 29.460 -0.024 0.000 1.128 1885 W HN 0.349 nan 8.180 nan 0.000 0.522 1886 Q N 1.014 120.739 119.800 -0.125 0.000 2.096 1886 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 1886 Q C 2.248 178.105 176.000 -0.238 0.000 0.982 1886 Q CA 2.663 58.270 55.803 -0.328 0.000 0.850 1886 Q CB -1.001 27.678 28.738 -0.098 0.000 0.901 1886 Q HN 0.294 nan 8.270 nan 0.000 0.422 1887 A N -0.199 122.558 122.820 -0.105 0.000 2.019 1887 A HA -0.132 4.188 4.320 0.000 0.000 0.219 1887 A C 1.945 179.535 177.584 0.011 0.000 1.164 1887 A CA 1.422 53.430 52.037 -0.048 0.000 0.644 1887 A CB -0.658 18.321 19.000 -0.036 0.000 0.805 1887 A HN 0.461 nan 8.150 nan 0.000 0.449 1888 L N -1.246 119.980 121.223 0.005 0.000 2.109 1888 L HA 0.036 4.376 4.340 0.000 0.000 0.207 1888 L C 1.998 178.756 176.870 -0.185 0.000 1.086 1888 L CA 1.450 56.319 54.840 0.048 0.000 0.760 1888 L CB -0.457 41.650 42.059 0.080 0.000 0.910 1888 L HN 0.227 nan 8.230 nan 0.000 0.437 1889 L N -0.226 120.781 121.223 -0.359 0.000 2.141 1889 L HA -0.140 4.200 4.340 0.000 0.000 0.209 1889 L C 2.020 178.740 176.870 -0.249 0.000 1.094 1889 L CA 1.402 56.003 54.840 -0.398 0.000 0.763 1889 L CB -0.886 40.785 42.059 -0.646 0.000 0.908 1889 L HN 0.313 nan 8.230 nan 0.000 0.437 1890 D N -0.792 119.493 120.400 -0.191 0.000 2.183 1890 D HA -0.078 4.562 4.640 0.000 0.000 0.203 1890 D C 2.191 178.428 176.300 -0.106 0.000 0.969 1890 D CA 1.243 55.168 54.000 -0.125 0.000 0.842 1890 D CB 0.048 40.794 40.800 -0.089 0.000 0.957 1890 D HN 0.342 nan 8.370 nan 0.000 0.484 1891 A N 0.325 123.077 122.820 -0.113 0.000 1.897 1891 A HA -0.121 4.199 4.320 0.000 0.000 0.215 1891 A C 2.445 179.937 177.584 -0.152 0.000 1.181 1891 A CA 1.014 52.969 52.037 -0.135 0.000 0.620 1891 A CB -0.963 17.910 19.000 -0.211 0.000 0.821 1891 A HN 0.370 nan 8.150 nan 0.000 0.443 1892 C N -0.838 118.361 119.300 -0.167 0.000 2.496 1892 C HA 0.154 4.614 4.460 0.000 0.000 0.281 1892 C C 3.190 178.106 174.990 -0.123 0.000 1.250 1892 C CA 1.312 60.235 59.018 -0.158 0.000 1.717 1892 C CB -1.131 26.506 27.740 -0.173 0.000 2.082 1892 C HN 0.657 nan 8.230 nan 0.000 0.472 1893 A N -0.072 122.677 122.820 -0.118 0.000 2.067 1893 A HA 0.114 4.435 4.320 0.000 0.000 0.219 1893 A C 2.260 179.802 177.584 -0.070 0.000 1.158 1893 A CA 1.746 53.733 52.037 -0.084 0.000 0.661 1893 A CB -1.140 17.810 19.000 -0.083 0.000 0.801 1893 A HN 0.756 nan 8.150 nan 0.000 0.452 1894 G N -0.434 108.319 108.800 -0.079 0.000 2.559 1894 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 1894 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 1894 G C 1.560 176.423 174.900 -0.062 0.000 1.126 1894 G CA 0.885 45.946 45.100 -0.066 0.000 0.778 1894 G HN 0.624 nan 8.290 nan 0.000 0.543 1895 R N -0.184 120.272 120.500 -0.073 0.000 2.093 1895 R HA 0.149 4.489 4.340 0.000 0.000 0.224 1895 R C 1.502 177.772 176.300 -0.049 0.000 1.101 1895 R CA 0.156 56.213 56.100 -0.071 0.000 0.979 1895 R CB -0.025 30.217 30.300 -0.097 0.000 0.877 1895 R HN 0.220 nan 8.270 nan 0.000 0.441 1896 R N 0.000 120.477 120.500 -0.038 0.000 2.786 1896 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1896 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 1896 R CB 0.000 30.300 30.300 0.000 0.000 0.687 1896 R HN 0.000 nan 8.270 nan 0.000 0.535