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 2ing_1_X DATA FIRST_RESID 1649 DATA SEQUENCE RMSMVVSGLT PEEFMLVYKF ARKHHITLTN LITEETTHVV MKTDAXFVCE DATA SEQUENCE RTLKYFLGIA GGKWVVSYFW VTQSIKERKM LNEHDFEVRG DVVNGRNHQG DATA SEQUENCE PKRARESQDR KIFRGLEICC YGPFTNKPTD QLEWMVQLCG ASVVKELSSF DATA SEQUENCE TLGTGVHPIV VVQPDAWTXX NGFHAIGQMC EAPVVTREWV LDSVALYQCQ DATA SEQUENCE ELDTYLIPQI P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1649 R HA 0.000 nan 4.340 nan 0.000 0.208 1649 R C 0.000 176.380 176.300 0.133 0.000 0.893 1649 R CA 0.000 56.157 56.100 0.095 0.000 0.921 1649 R CB 0.000 30.346 30.300 0.076 0.000 0.687 1650 M N 1.153 120.835 119.600 0.136 0.000 2.221 1650 M HA 0.263 4.743 4.480 0.001 0.000 0.259 1650 M C -1.284 175.111 176.300 0.158 0.000 1.001 1650 M CA -0.214 55.191 55.300 0.175 0.000 1.009 1650 M CB 2.493 35.165 32.600 0.121 0.000 1.939 1650 M HN 0.111 nan 8.290 nan 0.000 0.477 1651 S N 4.416 120.242 115.700 0.210 0.000 2.526 1651 S HA 0.856 5.327 4.470 0.001 0.000 0.293 1651 S C -1.260 173.471 174.600 0.219 0.000 1.092 1651 S CA -0.627 57.681 58.200 0.180 0.000 0.980 1651 S CB 1.840 65.132 63.200 0.152 0.000 1.048 1651 S HN 0.844 nan 8.310 nan 0.000 0.483 1652 M N 4.417 124.124 119.600 0.178 0.000 2.457 1652 M HA 0.649 5.130 4.480 0.001 0.000 0.300 1652 M C -1.649 174.728 176.300 0.129 0.000 1.141 1652 M CA -0.583 54.828 55.300 0.186 0.000 0.901 1652 M CB 1.940 34.650 32.600 0.184 0.000 1.687 1652 M HN 0.621 nan 8.290 nan 0.000 0.449 1653 V N 2.360 122.337 119.914 0.105 0.000 3.167 1653 V HA 0.868 4.988 4.120 0.001 0.000 0.310 1653 V C -1.294 174.790 176.094 -0.016 0.000 1.207 1653 V CA -0.859 61.458 62.300 0.029 0.000 1.059 1653 V CB 2.091 33.932 31.823 0.030 0.000 1.079 1653 V HN 0.670 nan 8.190 nan 0.000 0.446 1654 V N -0.082 119.772 119.914 -0.100 0.000 3.077 1654 V HA 0.796 4.916 4.120 0.001 0.000 0.299 1654 V C -1.235 174.749 176.094 -0.183 0.000 1.276 1654 V CA 0.155 62.355 62.300 -0.166 0.000 0.993 1654 V CB 2.560 34.203 31.823 -0.301 0.000 1.076 1654 V HN 0.999 nan 8.190 nan 0.000 0.434 1655 S N 3.088 118.682 115.700 -0.177 0.000 2.677 1655 S HA 0.732 5.203 4.470 0.001 0.000 0.283 1655 S C 0.129 174.629 174.600 -0.166 0.000 1.159 1655 S CA 0.279 58.392 58.200 -0.145 0.000 1.001 1655 S CB 1.347 64.492 63.200 -0.092 0.000 1.032 1655 S HN 2.433 nan 8.310 nan 0.000 0.487 1656 G N 3.041 111.755 108.800 -0.143 0.000 2.303 1656 G HA2 -0.155 3.805 3.960 0.001 0.000 0.260 1656 G HA3 -0.155 3.805 3.960 0.001 0.000 0.260 1656 G C -0.509 174.293 174.900 -0.164 0.000 1.106 1656 G CA -0.106 44.917 45.100 -0.128 0.000 0.900 1656 G HN 0.576 nan 8.290 nan 0.000 0.495 1657 L N -0.103 121.011 121.223 -0.182 0.000 2.303 1657 L HA 0.841 5.181 4.340 0.001 0.000 0.266 1657 L C 1.093 177.907 176.870 -0.094 0.000 1.011 1657 L CA -0.632 54.083 54.840 -0.209 0.000 0.818 1657 L CB 2.028 43.872 42.059 -0.357 0.000 1.326 1657 L HN 0.402 nan 8.230 nan 0.000 0.435 1658 T N -3.149 111.370 114.554 -0.058 0.000 2.912 1658 T HA 0.373 4.723 4.350 0.001 0.000 0.280 1658 T C -2.125 172.617 174.700 0.069 0.000 0.989 1658 T CA -1.793 60.312 62.100 0.009 0.000 0.995 1658 T CB 1.736 70.612 68.868 0.012 0.000 1.077 1658 T HN 0.299 nan 8.240 nan 0.000 0.531 1659 P HA -0.048 nan 4.420 nan 0.000 0.217 1659 P C 1.434 178.796 177.300 0.104 0.000 1.150 1659 P CA 0.847 64.009 63.100 0.103 0.000 0.832 1659 P CB 0.049 31.760 31.700 0.018 0.000 0.787 1660 E N 0.521 120.764 120.200 0.071 0.000 2.097 1660 E HA -0.222 4.129 4.350 0.001 0.000 0.196 1660 E C 1.840 178.512 176.600 0.120 0.000 1.000 1660 E CA 1.468 57.915 56.400 0.078 0.000 0.804 1660 E CB -0.947 28.792 29.700 0.064 0.000 0.740 1660 E HN 0.495 nan 8.360 nan 0.000 0.454 1661 E N -0.175 120.089 120.200 0.108 0.000 2.158 1661 E HA -0.008 4.343 4.350 0.001 0.000 0.191 1661 E C 1.900 178.566 176.600 0.109 0.000 0.982 1661 E CA 0.106 56.569 56.400 0.105 0.000 0.823 1661 E CB -0.239 29.396 29.700 -0.109 0.000 0.766 1661 E HN 0.218 nan 8.360 nan 0.000 0.468 1662 F N 1.691 121.603 119.950 -0.063 0.000 2.069 1662 F HA -0.331 4.196 4.527 0.001 0.000 0.298 1662 F C 2.493 178.330 175.800 0.062 0.000 1.113 1662 F CA 1.224 59.205 58.000 -0.032 0.000 1.214 1662 F CB -0.042 38.932 39.000 -0.043 0.000 0.978 1662 F HN 0.002 nan 8.300 nan 0.000 0.474 1663 M N 0.868 120.668 119.600 0.334 0.000 3.283 1663 M HA -0.401 4.079 4.480 0.001 0.000 0.272 1663 M C 2.022 178.497 176.300 0.292 0.000 1.023 1663 M CA 2.664 58.104 55.300 0.233 0.000 1.040 1663 M CB -0.946 31.736 32.600 0.137 0.000 1.271 1663 M HN 0.321 nan 8.290 nan 0.000 0.549 1664 L N -0.284 121.083 121.223 0.242 0.000 1.990 1664 L HA -0.248 4.092 4.340 0.001 0.000 0.213 1664 L C 2.463 179.483 176.870 0.251 0.000 1.072 1664 L CA 1.902 56.864 54.840 0.205 0.000 0.755 1664 L CB -1.345 40.829 42.059 0.191 0.000 0.889 1664 L HN 0.411 nan 8.230 nan 0.000 0.432 1665 V N -0.896 119.192 119.914 0.291 0.000 2.380 1665 V HA -0.349 3.771 4.120 0.001 0.000 0.251 1665 V C 2.284 178.604 176.094 0.377 0.000 1.063 1665 V CA 2.051 64.512 62.300 0.268 0.000 1.055 1665 V CB -1.007 30.879 31.823 0.104 0.000 0.657 1665 V HN 0.366 nan 8.190 nan 0.000 0.455 1666 Y N 1.471 121.955 120.300 0.306 0.000 2.089 1666 Y HA -0.202 4.348 4.550 0.001 0.000 0.282 1666 Y C 2.603 178.580 175.900 0.128 0.000 1.139 1666 Y CA 2.076 60.320 58.100 0.241 0.000 1.123 1666 Y CB -0.473 38.095 38.460 0.180 0.000 0.980 1666 Y HN 0.099 nan 8.280 nan 0.000 0.493 1667 K N -0.503 119.883 120.400 -0.023 0.000 2.442 1667 K HA -0.166 4.154 4.320 0.001 0.000 0.198 1667 K C 2.051 178.573 176.600 -0.131 0.000 1.042 1667 K CA 0.934 57.106 56.287 -0.193 0.000 0.958 1667 K CB -0.574 31.883 32.500 -0.071 0.000 0.766 1667 K HN 0.399 nan 8.250 nan 0.000 0.474 1668 F N 0.950 120.803 119.950 -0.162 0.000 2.187 1668 F HA -0.013 4.514 4.527 0.001 0.000 0.295 1668 F C 1.923 177.593 175.800 -0.216 0.000 1.091 1668 F CA 1.094 58.964 58.000 -0.218 0.000 1.308 1668 F CB -0.310 38.594 39.000 -0.161 0.000 1.030 1668 F HN 0.010 nan 8.300 nan 0.000 0.487 1669 A N 0.959 123.733 122.820 -0.075 0.000 1.821 1669 A HA -0.121 4.199 4.320 0.001 0.000 0.215 1669 A C 2.331 179.762 177.584 -0.254 0.000 1.214 1669 A CA 1.547 53.506 52.037 -0.130 0.000 0.608 1669 A CB -1.155 17.896 19.000 0.084 0.000 0.862 1669 A HN 0.372 nan 8.150 nan 0.000 0.448 1670 R N -0.530 119.791 120.500 -0.299 0.000 2.261 1670 R HA -0.325 4.015 4.340 0.001 0.000 0.241 1670 R C 2.366 178.441 176.300 -0.375 0.000 1.113 1670 R CA 2.627 58.501 56.100 -0.377 0.000 0.908 1670 R CB -0.513 29.444 30.300 -0.572 0.000 0.938 1670 R HN 0.602 nan 8.270 nan 0.000 0.427 1671 K N -0.549 119.596 120.400 -0.425 0.000 2.052 1671 K HA -0.218 4.102 4.320 0.001 0.000 0.215 1671 K C 1.282 177.661 176.600 -0.370 0.000 1.053 1671 K CA 2.254 58.261 56.287 -0.467 0.000 0.934 1671 K CB -0.194 31.923 32.500 -0.637 0.000 0.717 1671 K HN 0.517 nan 8.250 nan 0.000 0.450 1672 H N -1.274 117.637 119.070 -0.265 0.000 2.610 1672 H HA 0.085 4.641 4.556 0.001 0.000 0.302 1672 H C -0.775 174.611 175.328 0.096 0.000 1.063 1672 H CA -0.209 55.775 56.048 -0.105 0.000 1.159 1672 H CB 0.056 29.581 29.762 -0.395 0.000 1.427 1672 H HN 0.366 nan 8.280 nan 0.000 0.553 1673 H N -0.905 118.117 119.070 -0.080 0.000 2.770 1673 H HA -0.160 4.397 4.556 0.001 0.000 0.309 1673 H C -0.460 174.851 175.328 -0.027 0.000 1.206 1673 H CA 0.525 56.545 56.048 -0.047 0.000 1.147 1673 H CB -2.334 27.414 29.762 -0.023 0.000 1.422 1673 H HN 0.487 nan 8.280 nan 0.000 0.420 1674 I N -0.309 120.287 120.570 0.043 0.000 2.525 1674 I HA 0.270 4.440 4.170 0.001 0.000 0.301 1674 I C 1.050 177.211 176.117 0.073 0.000 0.992 1674 I CA -0.616 60.715 61.300 0.052 0.000 1.162 1674 I CB 1.887 39.904 38.000 0.027 0.000 1.332 1674 I HN 0.194 nan 8.210 nan 0.000 0.458 1675 T N 4.872 119.484 114.554 0.097 0.000 2.874 1675 T HA 0.603 4.954 4.350 0.001 0.000 0.281 1675 T C -0.826 173.958 174.700 0.139 0.000 0.994 1675 T CA -0.254 61.914 62.100 0.114 0.000 1.015 1675 T CB 0.833 69.763 68.868 0.104 0.000 1.028 1675 T HN 0.294 nan 8.240 nan 0.000 0.523 1676 L N 1.866 123.180 121.223 0.153 0.000 2.422 1676 L HA 0.709 5.050 4.340 0.001 0.000 0.264 1676 L C -0.597 176.355 176.870 0.136 0.000 0.984 1676 L CA -0.205 54.735 54.840 0.166 0.000 0.819 1676 L CB 2.598 44.802 42.059 0.241 0.000 1.330 1676 L HN 0.684 nan 8.230 nan 0.000 0.410 1677 T N 1.665 116.288 114.554 0.115 0.000 2.933 1677 T HA 0.389 4.739 4.350 0.001 0.000 0.305 1677 T C 0.350 175.095 174.700 0.075 0.000 1.092 1677 T CA -0.564 61.592 62.100 0.093 0.000 1.008 1677 T CB 0.981 69.900 68.868 0.084 0.000 1.102 1677 T HN 0.684 nan 8.240 nan 0.000 0.469 1678 N N 2.610 121.353 118.700 0.072 0.000 2.354 1678 N HA 0.070 4.810 4.740 0.001 0.000 0.179 1678 N C 0.106 175.631 175.510 0.025 0.000 1.021 1678 N CA 0.625 53.707 53.050 0.053 0.000 0.887 1678 N CB 0.264 38.789 38.487 0.064 0.000 0.974 1678 N HN 0.474 nan 8.380 nan 0.000 0.437 1679 L N 1.744 122.986 121.223 0.030 0.000 2.324 1679 L HA 0.358 4.698 4.340 0.001 0.000 0.274 1679 L C -0.229 176.658 176.870 0.028 0.000 1.012 1679 L CA -0.871 53.977 54.840 0.014 0.000 0.859 1679 L CB 1.805 43.869 42.059 0.009 0.000 1.224 1679 L HN -0.062 nan 8.230 nan 0.000 0.429 1680 I N 3.501 124.083 120.570 0.021 0.000 3.089 1680 I HA -0.149 4.021 4.170 0.001 0.000 0.321 1680 I C 0.826 176.987 176.117 0.072 0.000 1.222 1680 I CA 1.312 62.640 61.300 0.046 0.000 1.452 1680 I CB 0.505 38.520 38.000 0.026 0.000 1.321 1680 I HN 0.796 nan 8.210 nan 0.000 0.539 1681 T N 2.137 116.767 114.554 0.127 0.000 2.742 1681 T HA 0.497 4.847 4.350 0.001 0.000 0.282 1681 T C 0.661 175.501 174.700 0.233 0.000 1.025 1681 T CA -0.408 61.811 62.100 0.197 0.000 1.020 1681 T CB 1.216 70.178 68.868 0.157 0.000 1.317 1681 T HN 0.571 nan 8.240 nan 0.000 0.538 1682 E N 0.137 120.488 120.200 0.252 0.000 2.268 1682 E HA 0.027 4.377 4.350 0.001 0.000 0.195 1682 E C 1.303 177.959 176.600 0.094 0.000 0.995 1682 E CA 0.928 57.420 56.400 0.155 0.000 0.836 1682 E CB -0.047 29.692 29.700 0.066 0.000 0.763 1682 E HN 0.659 nan 8.360 nan 0.000 0.491 1683 E N -0.208 120.053 120.200 0.102 0.000 2.474 1683 E HA 0.087 4.437 4.350 0.001 0.000 0.195 1683 E C -0.134 176.525 176.600 0.098 0.000 1.039 1683 E CA 0.144 56.594 56.400 0.083 0.000 0.881 1683 E CB 0.380 30.128 29.700 0.080 0.000 0.970 1683 E HN 0.011 nan 8.360 nan 0.000 0.486 1684 T N -0.049 114.571 114.554 0.110 0.000 2.860 1684 T HA 0.151 4.501 4.350 0.001 0.000 0.299 1684 T C 1.369 176.141 174.700 0.121 0.000 1.045 1684 T CA 0.746 62.922 62.100 0.126 0.000 1.071 1684 T CB 1.163 70.105 68.868 0.123 0.000 0.985 1684 T HN 0.311 nan 8.240 nan 0.000 0.537 1685 T N -1.856 112.811 114.554 0.188 0.000 2.954 1685 T HA 0.210 4.560 4.350 0.001 0.000 0.252 1685 T C 0.052 174.790 174.700 0.064 0.000 0.983 1685 T CA -0.040 62.161 62.100 0.168 0.000 0.941 1685 T CB 0.051 69.129 68.868 0.351 0.000 1.141 1685 T HN 0.599 nan 8.240 nan 0.000 0.500 1686 H N -0.112 119.049 119.070 0.152 0.000 2.771 1686 H HA 0.738 5.295 4.556 0.001 0.000 0.361 1686 H C -1.438 173.952 175.328 0.103 0.000 1.108 1686 H CA -0.635 55.506 56.048 0.155 0.000 1.201 1686 H CB 2.240 32.096 29.762 0.157 0.000 1.681 1686 H HN 0.055 nan 8.280 nan 0.000 0.534 1687 V N 3.908 123.925 119.914 0.172 0.000 2.495 1687 V HA 0.404 4.524 4.120 0.001 0.000 0.298 1687 V C -0.488 175.654 176.094 0.080 0.000 1.031 1687 V CA -0.737 61.624 62.300 0.103 0.000 0.871 1687 V CB 1.811 33.674 31.823 0.067 0.000 0.988 1687 V HN 0.528 nan 8.190 nan 0.000 0.432 1688 V N 5.868 125.808 119.914 0.044 0.000 2.459 1688 V HA 0.630 4.750 4.120 0.001 0.000 0.295 1688 V C -0.140 175.910 176.094 -0.073 0.000 1.029 1688 V CA -0.522 61.791 62.300 0.021 0.000 0.874 1688 V CB 1.746 33.598 31.823 0.048 0.000 0.985 1688 V HN 0.725 nan 8.190 nan 0.000 0.438 1689 M N 3.182 122.725 119.600 -0.095 0.000 2.457 1689 M HA 0.548 5.029 4.480 0.001 0.000 0.300 1689 M C -0.533 175.631 176.300 -0.226 0.000 1.141 1689 M CA -1.162 54.036 55.300 -0.169 0.000 0.901 1689 M CB 2.117 34.613 32.600 -0.173 0.000 1.687 1689 M HN 0.547 nan 8.290 nan 0.000 0.449 1690 K N 1.449 121.697 120.400 -0.253 0.000 2.149 1690 K HA 0.573 4.894 4.320 0.001 0.000 0.245 1690 K C 0.227 176.644 176.600 -0.305 0.000 1.024 1690 K CA 0.501 56.624 56.287 -0.274 0.000 0.899 1690 K CB 0.638 33.010 32.500 -0.213 0.000 1.038 1690 K HN 0.915 nan 8.250 nan 0.000 0.496 1691 T N -2.222 112.125 114.554 -0.346 0.000 2.544 1691 T HA 0.325 4.675 4.350 0.001 0.000 0.192 1691 T C -0.379 174.249 174.700 -0.120 0.000 0.796 1691 T CA 0.234 62.149 62.100 -0.308 0.000 1.371 1691 T CB 0.281 68.814 68.868 -0.559 0.000 2.042 1691 T HN 0.593 nan 8.240 nan 0.000 0.424 1692 D N 0.194 120.600 120.400 0.010 0.000 1.412 1692 D HA 0.333 4.973 4.640 0.001 0.000 0.786 1692 D C 0.551 176.996 176.300 0.242 0.000 0.571 1692 D CA 0.838 54.914 54.000 0.127 0.000 1.290 1692 D CB -0.108 40.735 40.800 0.072 0.000 1.180 1692 D HN 1.665 nan 8.370 nan 0.000 0.439 1696 V N 1.413 121.370 119.914 0.071 0.000 2.370 1696 V HA 0.450 4.570 4.120 0.001 0.000 0.283 1696 V C 0.457 176.492 176.094 -0.098 0.000 1.023 1696 V CA -1.072 61.233 62.300 0.008 0.000 0.857 1696 V CB 1.016 32.859 31.823 0.034 0.000 0.985 1696 V HN 0.468 nan 8.190 nan 0.000 0.443 1697 C N 2.828 122.012 119.300 -0.193 0.000 2.397 1697 C HA 0.714 5.175 4.460 0.001 0.000 0.343 1697 C C 0.289 175.090 174.990 -0.315 0.000 1.188 1697 C CA -0.875 57.965 59.018 -0.297 0.000 1.992 1697 C CB 0.730 28.209 27.740 -0.435 0.000 2.358 1697 C HN 0.880 nan 8.230 nan 0.000 0.518 1698 E N 0.177 120.229 120.200 -0.247 0.000 2.397 1698 E HA 0.153 4.504 4.350 0.001 0.000 0.254 1698 E C -0.388 176.060 176.600 -0.255 0.000 1.231 1698 E CA -0.242 56.053 56.400 -0.174 0.000 0.954 1698 E CB 0.511 30.150 29.700 -0.101 0.000 1.024 1698 E HN 0.611 nan 8.360 nan 0.000 0.481 1699 R N 0.928 121.380 120.500 -0.080 0.000 3.436 1699 R HA 0.143 4.483 4.340 0.001 0.000 0.247 1699 R C -0.873 175.481 176.300 0.090 0.000 1.434 1699 R CA 0.049 56.183 56.100 0.057 0.000 1.543 1699 R CB -0.224 30.188 30.300 0.186 0.000 1.289 1699 R HN 0.302 nan 8.270 nan 0.000 0.664 1700 T N 2.600 117.171 114.554 0.029 0.000 2.904 1700 T HA 0.018 4.369 4.350 0.001 0.000 0.290 1700 T C 1.425 176.234 174.700 0.182 0.000 1.018 1700 T CA -0.702 61.448 62.100 0.084 0.000 1.075 1700 T CB 1.093 69.976 68.868 0.026 0.000 0.986 1700 T HN 0.298 nan 8.240 nan 0.000 0.523 1701 L N 2.461 123.836 121.223 0.253 0.000 2.030 1701 L HA -0.228 4.113 4.340 0.001 0.000 0.222 1701 L C 2.283 179.294 176.870 0.235 0.000 1.082 1701 L CA 1.968 56.994 54.840 0.310 0.000 0.785 1701 L CB -0.648 41.491 42.059 0.133 0.000 0.895 1701 L HN 0.616 nan 8.230 nan 0.000 0.439 1702 K N -2.018 118.451 120.400 0.114 0.000 2.209 1702 K HA -0.233 4.088 4.320 0.001 0.000 0.204 1702 K C 2.086 178.742 176.600 0.093 0.000 1.048 1702 K CA 1.356 57.689 56.287 0.076 0.000 0.940 1702 K CB -0.552 31.968 32.500 0.033 0.000 0.729 1702 K HN 0.390 nan 8.250 nan 0.000 0.451 1703 Y N 1.443 121.669 120.300 -0.122 0.000 2.069 1703 Y HA -0.292 4.258 4.550 0.001 0.000 0.278 1703 Y C 1.718 177.487 175.900 -0.218 0.000 1.175 1703 Y CA 1.346 59.293 58.100 -0.256 0.000 1.134 1703 Y CB -0.872 37.298 38.460 -0.483 0.000 0.965 1703 Y HN -0.063 nan 8.280 nan 0.000 0.498 1704 F N -0.433 119.454 119.950 -0.106 0.000 2.060 1704 F HA -0.211 4.316 4.527 0.000 0.000 0.295 1704 F C 2.235 177.974 175.800 -0.102 0.000 1.120 1704 F CA 1.293 59.164 58.000 -0.214 0.000 1.205 1704 F CB -0.936 37.979 39.000 -0.141 0.000 0.986 1704 F HN -0.027 nan 8.300 nan 0.000 0.470 1705 L N 0.305 121.638 121.223 0.183 0.000 2.265 1705 L HA -0.107 4.234 4.340 0.001 0.000 0.215 1705 L C 2.636 179.554 176.870 0.080 0.000 1.117 1705 L CA 1.522 56.440 54.840 0.129 0.000 0.782 1705 L CB -1.609 40.510 42.059 0.100 0.000 0.914 1705 L HN 0.217 nan 8.230 nan 0.000 0.441 1706 G N 0.003 108.834 108.800 0.053 0.000 2.433 1706 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 1706 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 1706 G C 1.663 176.538 174.900 -0.041 0.000 1.186 1706 G CA 0.901 46.015 45.100 0.023 0.000 0.779 1706 G HN 0.339 nan 8.290 nan 0.000 0.543 1707 I N 1.284 121.807 120.570 -0.077 0.000 2.193 1707 I HA -0.103 4.068 4.170 0.001 0.000 0.240 1707 I C 3.339 179.319 176.117 -0.228 0.000 1.084 1707 I CA 0.772 61.963 61.300 -0.181 0.000 1.365 1707 I CB -0.384 37.488 38.000 -0.213 0.000 1.064 1707 I HN 0.249 nan 8.210 nan 0.000 0.410 1708 A N 1.183 123.941 122.820 -0.104 0.000 1.944 1708 A HA -0.323 3.997 4.320 0.001 0.000 0.222 1708 A C 2.341 179.877 177.584 -0.081 0.000 1.237 1708 A CA 2.611 54.624 52.037 -0.040 0.000 0.668 1708 A CB -1.712 17.338 19.000 0.085 0.000 0.830 1708 A HN 0.528 nan 8.150 nan 0.000 0.471 1709 G N -2.130 106.630 108.800 -0.067 0.000 2.464 1709 G HA2 0.317 4.278 3.960 0.001 0.000 0.217 1709 G HA3 0.317 4.278 3.960 0.001 0.000 0.217 1709 G C 1.348 176.147 174.900 -0.167 0.000 1.138 1709 G CA 0.753 45.807 45.100 -0.076 0.000 0.793 1709 G HN 1.859 nan 8.290 nan 0.000 0.539 1710 G N 0.139 108.788 108.800 -0.252 0.000 2.295 1710 G HA2 -0.273 3.687 3.960 0.001 0.000 0.287 1710 G HA3 -0.273 3.687 3.960 0.001 0.000 0.287 1710 G C 0.403 175.107 174.900 -0.326 0.000 1.055 1710 G CA 0.741 45.650 45.100 -0.318 0.000 0.922 1710 G HN 0.635 nan 8.290 nan 0.000 0.503 1711 K N -1.650 118.591 120.400 -0.266 0.000 2.520 1711 K HA 0.443 4.763 4.320 0.001 0.000 0.256 1711 K C 0.073 176.447 176.600 -0.377 0.000 1.033 1711 K CA -0.883 55.232 56.287 -0.287 0.000 1.007 1711 K CB 0.848 33.274 32.500 -0.123 0.000 1.330 1711 K HN 0.197 nan 8.250 nan 0.000 0.507 1712 W N 1.442 122.537 121.300 -0.341 0.000 2.388 1712 W HA 0.213 4.873 4.660 0.001 0.000 0.308 1712 W C -0.661 175.724 176.519 -0.223 0.000 1.263 1712 W CA -0.713 56.398 57.345 -0.390 0.000 1.286 1712 W CB 0.793 29.769 29.460 -0.806 0.000 1.294 1712 W HN 0.041 nan 8.180 nan 0.000 0.493 1713 V N 5.992 126.010 119.914 0.175 0.000 2.293 1713 V HA 0.380 4.500 4.120 0.001 0.000 0.275 1713 V C -0.411 175.758 176.094 0.124 0.000 1.021 1713 V CA -0.939 61.429 62.300 0.114 0.000 0.815 1713 V CB 0.871 32.747 31.823 0.089 0.000 1.025 1713 V HN 0.260 nan 8.190 nan 0.000 0.448 1714 V N 3.725 123.678 119.914 0.065 0.000 2.656 1714 V HA 0.575 4.696 4.120 0.001 0.000 0.307 1714 V C 0.400 176.535 176.094 0.069 0.000 1.051 1714 V CA -0.073 62.244 62.300 0.028 0.000 0.893 1714 V CB 2.603 34.253 31.823 -0.288 0.000 0.999 1714 V HN 0.927 nan 8.190 nan 0.000 0.426 1715 S N 3.888 119.677 115.700 0.149 0.000 2.608 1715 S HA 0.155 4.625 4.470 0.001 0.000 0.261 1715 S C 0.839 175.430 174.600 -0.014 0.000 1.314 1715 S CA 0.445 58.608 58.200 -0.061 0.000 0.992 1715 S CB 0.463 63.409 63.200 -0.422 0.000 0.935 1715 S HN 0.772 nan 8.310 nan 0.000 0.564 1716 Y N 2.179 122.255 120.300 -0.373 0.000 2.200 1716 Y HA -0.142 4.408 4.550 0.001 0.000 0.290 1716 Y C 1.661 177.472 175.900 -0.148 0.000 1.137 1716 Y CA 1.562 59.492 58.100 -0.284 0.000 1.163 1716 Y CB -0.321 37.908 38.460 -0.384 0.000 0.988 1716 Y HN 0.815 nan 8.280 nan 0.000 0.518 1717 F N -0.913 118.945 119.950 -0.153 0.000 2.141 1717 F HA -0.395 4.132 4.527 0.001 0.000 0.300 1717 F C 2.164 177.880 175.800 -0.139 0.000 1.079 1717 F CA 0.924 58.818 58.000 -0.178 0.000 1.264 1717 F CB -0.899 38.072 39.000 -0.049 0.000 1.011 1717 F HN 0.343 nan 8.300 nan 0.000 0.487 1718 W N 1.149 122.262 121.300 -0.313 0.000 2.279 1718 W HA -0.291 4.369 4.660 0.001 0.000 0.298 1718 W C 1.844 177.864 176.519 -0.832 0.000 1.228 1718 W CA 2.123 58.677 57.345 -1.319 0.000 1.230 1718 W CB -0.637 28.219 29.460 -1.006 0.000 1.138 1718 W HN -0.132 nan 8.180 nan 0.000 0.532 1719 V N -0.529 118.923 119.914 -0.770 0.000 2.690 1719 V HA -0.156 3.964 4.120 0.001 0.000 0.240 1719 V C 2.526 178.205 176.094 -0.693 0.000 1.078 1719 V CA 1.991 63.578 62.300 -1.189 0.000 1.102 1719 V CB -0.992 30.138 31.823 -1.155 0.000 0.800 1719 V HN 0.278 nan 8.190 nan 0.000 0.479 1720 T N -1.239 112.979 114.554 -0.560 0.000 2.803 1720 T HA -0.340 4.011 4.350 0.001 0.000 0.269 1720 T C 1.743 176.308 174.700 -0.225 0.000 1.052 1720 T CA 2.162 64.041 62.100 -0.368 0.000 1.136 1720 T CB -0.303 68.316 68.868 -0.415 0.000 0.864 1720 T HN 0.371 nan 8.240 nan 0.000 0.467 1721 Q N 0.478 120.157 119.800 -0.201 0.000 2.230 1721 Q HA 0.132 4.472 4.340 0.001 0.000 0.202 1721 Q C 2.428 178.373 176.000 -0.092 0.000 0.963 1721 Q CA 1.129 56.885 55.803 -0.078 0.000 0.866 1721 Q CB -0.258 28.539 28.738 0.098 0.000 0.931 1721 Q HN 0.576 nan 8.270 nan 0.000 0.452 1722 S N -0.569 115.006 115.700 -0.207 0.000 2.425 1722 S HA 0.063 4.533 4.470 0.001 0.000 0.225 1722 S C 1.638 176.256 174.600 0.031 0.000 1.024 1722 S CA 0.230 58.384 58.200 -0.078 0.000 0.951 1722 S CB -0.032 63.127 63.200 -0.069 0.000 0.796 1722 S HN 0.361 nan 8.310 nan 0.000 0.498 1723 I N 1.922 122.485 120.570 -0.010 0.000 2.127 1723 I HA -0.249 3.921 4.170 0.001 0.000 0.241 1723 I C 2.524 178.631 176.117 -0.017 0.000 1.075 1723 I CA 1.391 62.692 61.300 0.000 0.000 1.334 1723 I CB -0.172 37.811 38.000 -0.027 0.000 1.040 1723 I HN 0.210 nan 8.210 nan 0.000 0.405 1724 K N 0.932 121.310 120.400 -0.037 0.000 2.059 1724 K HA -0.234 4.086 4.320 0.001 0.000 0.212 1724 K C 0.627 177.222 176.600 -0.008 0.000 1.050 1724 K CA 1.824 58.095 56.287 -0.027 0.000 0.927 1724 K CB -0.112 32.367 32.500 -0.035 0.000 0.714 1724 K HN 0.382 nan 8.250 nan 0.000 0.447 1725 E N 0.751 120.953 120.200 0.004 0.000 2.462 1725 E HA 0.098 4.449 4.350 0.001 0.000 0.255 1725 E C -0.711 175.907 176.600 0.030 0.000 1.311 1725 E CA -0.286 56.125 56.400 0.018 0.000 1.629 1725 E CB 0.394 30.111 29.700 0.030 0.000 1.510 1725 E HN 0.152 nan 8.360 nan 0.000 0.438 1726 R N 1.426 121.941 120.500 0.025 0.000 3.255 1726 R HA -0.222 4.119 4.340 0.001 0.000 0.229 1726 R C -0.497 175.844 176.300 0.068 0.000 0.920 1726 R CA 0.998 57.117 56.100 0.032 0.000 0.624 1726 R CB -0.691 29.620 30.300 0.017 0.000 1.072 1726 R HN 0.038 nan 8.270 nan 0.000 0.491 1727 K N -0.951 119.510 120.400 0.102 0.000 2.675 1727 K HA 0.156 4.476 4.320 0.001 0.000 0.280 1727 K C -0.820 175.817 176.600 0.061 0.000 0.993 1727 K CA -0.741 55.605 56.287 0.098 0.000 0.863 1727 K CB 0.731 33.246 32.500 0.025 0.000 1.438 1727 K HN 0.117 nan 8.250 nan 0.000 0.389 1728 M N 2.740 122.223 119.600 -0.194 0.000 2.245 1728 M HA 0.221 4.702 4.480 0.001 0.000 0.344 1728 M C -0.809 175.462 176.300 -0.050 0.000 1.170 1728 M CA -0.102 55.065 55.300 -0.222 0.000 1.135 1728 M CB 0.320 32.589 32.600 -0.552 0.000 1.574 1728 M HN 0.387 nan 8.290 nan 0.000 0.452 1729 L N 4.202 125.439 121.223 0.024 0.000 2.358 1729 L HA 0.435 4.775 4.340 0.001 0.000 0.268 1729 L C 0.052 177.120 176.870 0.330 0.000 1.032 1729 L CA -0.435 54.518 54.840 0.188 0.000 0.805 1729 L CB 1.109 43.319 42.059 0.251 0.000 1.253 1729 L HN 0.820 nan 8.230 nan 0.000 0.452 1730 N N 0.306 119.166 118.700 0.267 0.000 2.518 1730 N HA -0.011 4.729 4.740 0.001 0.000 0.266 1730 N C 0.159 175.654 175.510 -0.025 0.000 1.196 1730 N CA -0.100 53.027 53.050 0.128 0.000 0.947 1730 N CB 0.995 39.633 38.487 0.251 0.000 1.098 1730 N HN 0.543 nan 8.380 nan 0.000 0.450 1731 E N 0.998 120.802 120.200 -0.659 0.000 2.107 1731 E HA -0.115 4.235 4.350 0.001 0.000 0.191 1731 E C 0.941 177.015 176.600 -0.877 0.000 0.982 1731 E CA 1.205 56.889 56.400 -1.192 0.000 0.809 1731 E CB -0.506 27.812 29.700 -2.304 0.000 0.756 1731 E HN 0.776 nan 8.360 nan 0.000 0.459 1732 H N 0.006 118.829 119.070 -0.412 0.000 2.561 1732 H HA -0.036 4.521 4.556 0.001 0.000 0.289 1732 H C 0.554 175.886 175.328 0.007 0.000 1.054 1732 H CA 1.077 57.107 56.048 -0.029 0.000 1.210 1732 H CB 0.009 29.836 29.762 0.109 0.000 1.353 1732 H HN -0.010 nan 8.280 nan 0.000 0.601 1733 D N -1.144 119.296 120.400 0.067 0.000 2.720 1733 D HA 0.121 4.762 4.640 0.001 0.000 0.285 1733 D C -0.433 175.753 176.300 -0.189 0.000 1.359 1733 D CA -0.109 53.878 54.000 -0.021 0.000 0.818 1733 D CB -0.099 40.717 40.800 0.027 0.000 1.108 1733 D HN 0.317 nan 8.370 nan 0.000 0.474 1734 F N 0.791 120.674 119.950 -0.111 0.000 2.939 1734 F HA 0.032 4.559 4.527 0.001 0.000 0.327 1734 F C 0.413 176.274 175.800 0.102 0.000 1.276 1734 F CA -0.515 57.493 58.000 0.014 0.000 0.973 1734 F CB 0.726 39.712 39.000 -0.024 0.000 1.460 1734 F HN -0.149 nan 8.300 nan 0.000 0.499 1735 E N 0.879 121.172 120.200 0.156 0.000 2.254 1735 E HA 0.487 4.837 4.350 0.001 0.000 0.261 1735 E C -0.350 176.399 176.600 0.249 0.000 1.051 1735 E CA -0.611 55.920 56.400 0.218 0.000 0.902 1735 E CB 2.516 32.337 29.700 0.202 0.000 1.168 1735 E HN 0.024 nan 8.360 nan 0.000 0.423 1736 V N 0.800 120.860 119.914 0.243 0.000 3.083 1736 V HA 0.335 4.456 4.120 0.001 0.000 0.306 1736 V C 0.142 176.325 176.094 0.149 0.000 1.077 1736 V CA -0.496 61.941 62.300 0.228 0.000 1.073 1736 V CB 0.795 32.667 31.823 0.082 0.000 1.081 1736 V HN 0.841 nan 8.190 nan 0.000 0.474 1737 R N 3.370 123.952 120.500 0.136 0.000 2.599 1737 R HA 0.554 4.895 4.340 0.001 0.000 0.451 1737 R C 0.273 176.639 176.300 0.110 0.000 0.988 1737 R CA 0.266 56.434 56.100 0.113 0.000 1.085 1737 R CB 0.151 30.507 30.300 0.092 0.000 1.452 1737 R HN 1.605 nan 8.270 nan 0.000 0.596 1738 G N 1.584 110.436 108.800 0.087 0.000 2.255 1738 G HA2 -0.135 3.826 3.960 0.001 0.000 0.216 1738 G HA3 -0.135 3.826 3.960 0.001 0.000 0.216 1738 G C -0.823 174.069 174.900 -0.015 0.000 1.307 1738 G CA 0.186 45.340 45.100 0.090 0.000 1.162 1738 G HN 0.185 nan 8.290 nan 0.000 0.494 1739 D N -3.779 116.632 120.400 0.018 0.000 1.068 1739 D HA 0.103 4.743 4.640 0.001 0.000 0.853 1739 D C 0.915 177.230 176.300 0.024 0.000 0.459 1739 D CA 1.226 55.215 54.000 -0.018 0.000 1.343 1739 D CB 0.672 41.461 40.800 -0.018 0.000 1.269 1739 D HN 1.567 nan 8.370 nan 0.000 0.405 1740 V N -0.107 119.841 119.914 0.057 0.000 4.797 1740 V HA -0.136 3.984 4.120 0.001 0.000 0.159 1740 V C 1.910 178.048 176.094 0.073 0.000 1.398 1740 V CA 0.767 63.103 62.300 0.060 0.000 0.754 1740 V CB -0.233 31.631 31.823 0.068 0.000 0.850 1740 V HN 0.125 nan 8.190 nan 0.000 0.621 1741 V N 2.446 122.426 119.914 0.109 0.000 2.216 1741 V HA -0.074 4.047 4.120 0.001 0.000 0.243 1741 V C 0.790 176.921 176.094 0.061 0.000 1.044 1741 V CA 2.254 64.617 62.300 0.105 0.000 0.995 1741 V CB -0.736 31.177 31.823 0.150 0.000 0.633 1741 V HN 0.819 nan 8.190 nan 0.000 0.446 1742 N N 1.256 120.011 118.700 0.092 0.000 2.434 1742 N HA 0.371 5.112 4.740 0.001 0.000 0.272 1742 N C 0.100 175.657 175.510 0.079 0.000 1.040 1742 N CA 0.241 53.339 53.050 0.080 0.000 0.956 1742 N CB 1.217 39.804 38.487 0.167 0.000 1.108 1742 N HN 0.279 nan 8.380 nan 0.000 0.481 1743 G N 1.239 110.075 108.800 0.060 0.000 2.525 1743 G HA2 0.028 3.989 3.960 0.001 0.000 0.276 1743 G HA3 0.028 3.989 3.960 0.001 0.000 0.276 1743 G C 1.017 175.974 174.900 0.096 0.000 1.388 1743 G CA -0.389 44.752 45.100 0.068 0.000 1.050 1743 G HN 0.741 nan 8.290 nan 0.000 0.520 1744 R N -0.318 120.235 120.500 0.088 0.000 2.154 1744 R HA -0.171 4.169 4.340 0.001 0.000 0.248 1744 R C 1.894 178.261 176.300 0.113 0.000 1.155 1744 R CA 1.873 58.031 56.100 0.097 0.000 0.979 1744 R CB -0.805 29.547 30.300 0.087 0.000 0.869 1744 R HN 0.436 nan 8.270 nan 0.000 0.452 1745 N N 1.340 120.128 118.700 0.146 0.000 2.048 1745 N HA -0.210 4.530 4.740 0.001 0.000 0.197 1745 N C 0.300 175.962 175.510 0.253 0.000 1.048 1745 N CA 1.856 55.050 53.050 0.241 0.000 0.887 1745 N CB -0.950 37.784 38.487 0.411 0.000 1.081 1745 N HN 0.440 nan 8.380 nan 0.000 0.512 1746 H N 1.556 120.656 119.070 0.049 0.000 2.680 1746 H HA 0.129 4.685 4.556 0.001 0.000 0.224 1746 H C -0.108 175.256 175.328 0.060 0.000 1.866 1746 H CA -0.473 55.605 56.048 0.050 0.000 1.302 1746 H CB -0.988 28.806 29.762 0.053 0.000 1.709 1746 H HN 0.259 nan 8.280 nan 0.000 0.537 1747 Q N 0.346 120.213 119.800 0.112 0.000 2.436 1747 Q HA -0.049 4.292 4.340 0.001 0.000 0.326 1747 Q C 0.641 176.696 176.000 0.091 0.000 1.079 1747 Q CA 0.874 56.733 55.803 0.092 0.000 1.049 1747 Q CB 0.686 29.451 28.738 0.046 0.000 1.047 1747 Q HN 0.624 nan 8.270 nan 0.000 0.386 1748 G N 3.765 112.630 108.800 0.109 0.000 2.557 1748 G HA2 -0.034 3.926 3.960 0.001 0.000 0.213 1748 G HA3 -0.034 3.926 3.960 0.001 0.000 0.213 1748 G C -1.061 173.858 174.900 0.030 0.000 1.221 1748 G CA 0.098 45.250 45.100 0.087 0.000 0.832 1748 G HN 0.546 nan 8.290 nan 0.000 0.556 1749 P HA -0.196 nan 4.420 nan 0.000 0.219 1749 P C 1.805 179.059 177.300 -0.076 0.000 1.151 1749 P CA 1.306 64.376 63.100 -0.051 0.000 0.850 1749 P CB 0.036 31.751 31.700 0.026 0.000 0.784 1750 K N -0.251 120.140 120.400 -0.014 0.000 1.976 1750 K HA -0.246 4.074 4.320 0.001 0.000 0.233 1750 K C 1.997 178.570 176.600 -0.044 0.000 1.032 1750 K CA 1.961 58.238 56.287 -0.016 0.000 1.032 1750 K CB -1.206 31.299 32.500 0.009 0.000 0.733 1750 K HN 0.034 nan 8.250 nan 0.000 0.448 1751 R N 0.304 120.807 120.500 0.006 0.000 2.136 1751 R HA -0.229 4.111 4.340 0.001 0.000 0.242 1751 R C 2.399 178.685 176.300 -0.023 0.000 1.131 1751 R CA 2.116 58.256 56.100 0.066 0.000 0.937 1751 R CB -1.076 29.355 30.300 0.218 0.000 0.863 1751 R HN 0.524 nan 8.270 nan 0.000 0.435 1752 A N 0.908 123.573 122.820 -0.257 0.000 1.883 1752 A HA -0.371 3.949 4.320 0.001 0.000 0.222 1752 A C 2.152 179.512 177.584 -0.373 0.000 1.339 1752 A CA 2.586 54.202 52.037 -0.702 0.000 0.692 1752 A CB -0.863 17.735 19.000 -0.669 0.000 0.845 1752 A HN 0.401 nan 8.150 nan 0.000 0.467 1753 R N -0.679 119.633 120.500 -0.313 0.000 2.080 1753 R HA -0.139 4.202 4.340 0.001 0.000 0.236 1753 R C 2.228 178.392 176.300 -0.227 0.000 1.137 1753 R CA 1.725 57.626 56.100 -0.332 0.000 0.943 1753 R CB -0.448 29.586 30.300 -0.445 0.000 0.846 1753 R HN 0.754 nan 8.270 nan 0.000 0.431 1754 E N 0.189 120.297 120.200 -0.152 0.000 2.274 1754 E HA -0.063 4.287 4.350 0.001 0.000 0.194 1754 E C 1.509 178.079 176.600 -0.049 0.000 0.996 1754 E CA 0.647 56.994 56.400 -0.088 0.000 0.840 1754 E CB 0.169 29.840 29.700 -0.049 0.000 0.772 1754 E HN 0.205 nan 8.360 nan 0.000 0.491 1755 S N -0.087 115.600 115.700 -0.021 0.000 2.327 1755 S HA -0.075 4.395 4.470 0.001 0.000 0.157 1755 S C 0.963 175.571 174.600 0.014 0.000 1.227 1755 S CA 0.059 58.281 58.200 0.036 0.000 1.907 1755 S CB 0.075 63.371 63.200 0.161 0.000 0.563 1755 S HN 0.165 nan 8.310 nan 0.000 0.377 1756 Q N 0.051 119.882 119.800 0.052 0.000 2.306 1756 Q HA -0.270 4.071 4.340 0.001 0.000 0.179 1756 Q C 1.095 177.101 176.000 0.009 0.000 2.892 1756 Q CA 2.061 57.873 55.803 0.015 0.000 0.250 1756 Q CB -2.178 26.532 28.738 -0.045 0.000 0.245 1756 Q HN 0.789 nan 8.270 nan 0.000 0.415 1757 D N 1.509 121.908 120.400 -0.003 0.000 2.265 1757 D HA -0.139 4.501 4.640 0.001 0.000 0.208 1757 D C 0.931 177.231 176.300 0.001 0.000 0.977 1757 D CA 1.666 55.663 54.000 -0.004 0.000 0.871 1757 D CB -0.166 40.629 40.800 -0.009 0.000 0.925 1757 D HN 0.480 nan 8.370 nan 0.000 0.485 1758 R N 0.285 120.788 120.500 0.005 0.000 2.476 1758 R HA 0.325 4.665 4.340 0.001 0.000 0.305 1758 R C -0.424 175.877 176.300 0.002 0.000 0.965 1758 R CA -0.749 55.349 56.100 -0.003 0.000 0.867 1758 R CB 1.552 31.841 30.300 -0.018 0.000 1.176 1758 R HN -0.293 nan 8.270 nan 0.000 0.447 1759 K N 2.754 123.153 120.400 -0.002 0.000 2.155 1759 K HA 0.238 4.558 4.320 0.001 0.000 0.237 1759 K C 1.399 177.878 176.600 -0.202 0.000 1.040 1759 K CA -0.445 55.837 56.287 -0.009 0.000 0.912 1759 K CB 0.694 33.213 32.500 0.032 0.000 1.137 1759 K HN 0.806 nan 8.250 nan 0.000 0.498 1760 I N -3.378 116.916 120.570 -0.460 0.000 3.883 1760 I HA 0.181 4.351 4.170 0.001 0.000 0.326 1760 I C 0.819 176.673 176.117 -0.438 0.000 1.283 1760 I CA 0.537 61.440 61.300 -0.663 0.000 1.161 1760 I CB 0.081 37.358 38.000 -1.204 0.000 1.012 1760 I HN 0.319 nan 8.210 nan 0.000 0.421 1761 F N 0.604 120.503 119.950 -0.085 0.000 2.706 1761 F HA 0.381 4.909 4.527 0.000 0.000 0.308 1761 F C 1.697 177.498 175.800 0.002 0.000 1.095 1761 F CA -0.655 57.336 58.000 -0.015 0.000 1.244 1761 F CB 0.173 39.186 39.000 0.022 0.000 1.063 1761 F HN -0.125 nan 8.300 nan 0.000 0.582 1762 R N 0.496 121.079 120.500 0.138 0.000 3.738 1762 R HA -0.280 4.060 4.340 0.001 0.000 0.392 1762 R C 1.134 177.490 176.300 0.093 0.000 0.449 1762 R CA 1.712 57.860 56.100 0.081 0.000 0.983 1762 R CB -1.828 28.498 30.300 0.044 0.000 0.754 1762 R HN 0.368 nan 8.270 nan 0.000 0.469 1763 G N 0.050 108.908 108.800 0.096 0.000 4.876 1763 G HA2 0.560 4.520 3.960 0.001 0.000 0.304 1763 G HA3 0.560 4.520 3.960 0.001 0.000 0.304 1763 G C -0.557 174.413 174.900 0.117 0.000 1.396 1763 G CA -0.529 44.629 45.100 0.097 0.000 0.978 1763 G HN 0.042 nan 8.290 nan 0.000 0.565 1764 L N -0.712 120.570 121.223 0.099 0.000 2.279 1764 L HA 0.704 5.045 4.340 0.001 0.000 0.262 1764 L C -0.416 176.474 176.870 0.034 0.000 1.019 1764 L CA -1.130 53.747 54.840 0.061 0.000 0.823 1764 L CB 2.644 44.725 42.059 0.036 0.000 1.358 1764 L HN 0.105 nan 8.230 nan 0.000 0.432 1765 E N 1.589 121.788 120.200 -0.002 0.000 2.244 1765 E HA 0.476 4.826 4.350 0.001 0.000 0.260 1765 E C -1.390 175.279 176.600 0.114 0.000 0.884 1765 E CA -0.472 55.973 56.400 0.074 0.000 0.777 1765 E CB 2.204 31.982 29.700 0.130 0.000 1.197 1765 E HN 0.273 nan 8.360 nan 0.000 0.416 1766 I N 2.376 123.018 120.570 0.120 0.000 2.378 1766 I HA 0.275 4.446 4.170 0.001 0.000 0.291 1766 I C -0.226 175.984 176.117 0.154 0.000 0.992 1766 I CA -0.830 60.537 61.300 0.111 0.000 1.154 1766 I CB 1.181 39.178 38.000 -0.005 0.000 1.315 1766 I HN 0.556 nan 8.210 nan 0.000 0.448 1767 C N 6.996 126.417 119.300 0.201 0.000 2.293 1767 C HA 0.444 4.904 4.460 0.001 0.000 0.323 1767 C C 0.572 175.640 174.990 0.130 0.000 1.240 1767 C CA -0.405 58.660 59.018 0.079 0.000 1.497 1767 C CB -0.487 27.206 27.740 -0.079 0.000 2.171 1767 C HN 0.887 nan 8.230 nan 0.000 0.465 1768 C N 6.592 125.946 119.300 0.089 0.000 2.305 1768 C HA 0.178 4.638 4.460 0.001 0.000 0.378 1768 C C -0.106 175.049 174.990 0.274 0.000 1.047 1768 C CA -0.313 58.780 59.018 0.124 0.000 1.385 1768 C CB -2.209 25.435 27.740 -0.161 0.000 1.825 1768 C HN 0.818 nan 8.230 nan 0.000 0.508 1769 Y N 2.805 123.222 120.300 0.196 0.000 2.365 1769 Y HA 0.516 5.067 4.550 0.001 0.000 0.340 1769 Y C 0.753 176.762 175.900 0.181 0.000 1.016 1769 Y CA 0.955 59.132 58.100 0.129 0.000 1.196 1769 Y CB 0.283 38.782 38.460 0.065 0.000 1.167 1769 Y HN 0.979 nan 8.280 nan 0.000 0.509 1770 G N 6.580 115.267 108.800 -0.188 0.000 2.881 1770 G HA2 -0.192 3.769 3.960 0.001 0.000 0.681 1770 G HA3 -0.192 3.769 3.960 0.001 0.000 0.681 1770 G C -2.706 172.182 174.900 -0.021 0.000 1.567 1770 G CA -1.077 43.809 45.100 -0.356 0.000 1.013 1770 G HN 0.683 nan 8.290 nan 0.000 0.580 1771 P HA 0.032 nan 4.420 nan 0.000 0.266 1771 P C -0.083 177.251 177.300 0.057 0.000 1.126 1771 P CA 1.086 64.235 63.100 0.081 0.000 0.751 1771 P CB -0.054 31.689 31.700 0.072 0.000 0.719 1772 F N 0.699 120.642 119.950 -0.013 0.000 2.691 1772 F HA 0.607 5.135 4.527 0.001 0.000 0.334 1772 F C 1.497 177.295 175.800 -0.003 0.000 1.107 1772 F CA 0.250 58.243 58.000 -0.013 0.000 0.991 1772 F CB 1.567 40.557 39.000 -0.017 0.000 1.400 1772 F HN 0.378 nan 8.300 nan 0.000 0.503 1773 T N -4.422 110.245 114.554 0.189 0.000 3.759 1773 T HA 0.076 4.426 4.350 0.001 0.000 0.245 1773 T C 1.230 175.980 174.700 0.084 0.000 0.867 1773 T CA 0.281 62.440 62.100 0.099 0.000 1.116 1773 T CB -0.522 68.373 68.868 0.045 0.000 1.028 1773 T HN 0.442 nan 8.240 nan 0.000 0.381 1774 N N 1.611 120.355 118.700 0.073 0.000 2.091 1774 N HA -0.071 4.669 4.740 0.001 0.000 0.193 1774 N C -0.522 175.029 175.510 0.070 0.000 1.021 1774 N CA 1.068 54.156 53.050 0.064 0.000 0.862 1774 N CB 0.052 38.576 38.487 0.060 0.000 1.018 1774 N HN 0.381 nan 8.380 nan 0.000 0.429 1775 K N -0.026 120.428 120.400 0.090 0.000 2.687 1775 K HA 0.319 4.639 4.320 0.001 0.000 0.249 1775 K C -2.682 173.958 176.600 0.067 0.000 0.994 1775 K CA -1.242 55.077 56.287 0.054 0.000 0.913 1775 K CB 2.720 35.234 32.500 0.022 0.000 1.202 1775 K HN 0.016 nan 8.250 nan 0.000 0.460 1776 P HA 0.124 nan 4.420 nan 0.000 0.280 1776 P C 0.453 177.666 177.300 -0.144 0.000 1.272 1776 P CA -0.443 62.657 63.100 0.000 0.000 0.819 1776 P CB 1.349 33.047 31.700 -0.003 0.000 1.122 1777 T N 0.120 114.548 114.554 -0.210 0.000 2.570 1777 T HA -0.191 4.159 4.350 0.001 0.000 0.266 1777 T C 1.331 175.883 174.700 -0.246 0.000 1.071 1777 T CA 2.467 64.324 62.100 -0.405 0.000 1.172 1777 T CB -0.989 67.706 68.868 -0.289 0.000 0.864 1777 T HN 0.601 nan 8.240 nan 0.000 0.421 1778 D N 0.877 121.203 120.400 -0.123 0.000 2.127 1778 D HA -0.205 4.435 4.640 0.001 0.000 0.190 1778 D C 2.110 178.394 176.300 -0.026 0.000 1.000 1778 D CA 1.296 55.273 54.000 -0.038 0.000 0.839 1778 D CB -0.749 40.047 40.800 -0.007 0.000 0.955 1778 D HN 0.390 nan 8.370 nan 0.000 0.446 1779 Q N 0.225 119.949 119.800 -0.125 0.000 2.077 1779 Q HA -0.124 4.217 4.340 0.001 0.000 0.206 1779 Q C 2.490 178.442 176.000 -0.081 0.000 0.989 1779 Q CA 0.402 56.089 55.803 -0.193 0.000 0.853 1779 Q CB -0.743 27.854 28.738 -0.236 0.000 0.907 1779 Q HN 0.343 nan 8.270 nan 0.000 0.418 1780 L N 1.412 122.557 121.223 -0.130 0.000 2.021 1780 L HA -0.251 4.090 4.340 0.001 0.000 0.215 1780 L C 2.111 178.954 176.870 -0.046 0.000 1.074 1780 L CA 2.004 56.762 54.840 -0.137 0.000 0.760 1780 L CB -0.890 40.983 42.059 -0.311 0.000 0.889 1780 L HN 0.356 nan 8.230 nan 0.000 0.433 1781 E N -1.675 118.508 120.200 -0.028 0.000 2.028 1781 E HA -0.273 4.077 4.350 0.001 0.000 0.191 1781 E C 1.905 178.598 176.600 0.154 0.000 0.988 1781 E CA 1.184 57.606 56.400 0.037 0.000 0.799 1781 E CB -0.474 29.239 29.700 0.021 0.000 0.755 1781 E HN 0.580 nan 8.360 nan 0.000 0.447 1782 W N 2.193 123.474 121.300 -0.032 0.000 2.313 1782 W HA -0.232 4.429 4.660 0.002 0.000 0.293 1782 W C 1.827 178.352 176.519 0.011 0.000 1.216 1782 W CA 1.371 58.712 57.345 -0.007 0.000 1.223 1782 W CB -0.477 28.977 29.460 -0.010 0.000 1.138 1782 W HN 0.100 nan 8.180 nan 0.000 0.535 1783 M N 0.713 120.514 119.600 0.336 0.000 2.139 1783 M HA -0.253 4.227 4.480 0.001 0.000 0.260 1783 M C 2.352 178.786 176.300 0.223 0.000 1.078 1783 M CA 3.348 58.791 55.300 0.238 0.000 1.106 1783 M CB -0.912 31.747 32.600 0.099 0.000 1.275 1783 M HN -0.136 nan 8.290 nan 0.000 0.425 1784 V N -1.126 118.908 119.914 0.200 0.000 2.332 1784 V HA -0.306 3.814 4.120 0.001 0.000 0.248 1784 V C 2.003 178.241 176.094 0.240 0.000 1.055 1784 V CA 2.181 64.650 62.300 0.282 0.000 1.038 1784 V CB -1.635 30.232 31.823 0.074 0.000 0.651 1784 V HN 0.661 nan 8.190 nan 0.000 0.450 1785 Q N -0.593 119.293 119.800 0.142 0.000 2.217 1785 Q HA -0.226 4.114 4.340 0.001 0.000 0.209 1785 Q C 2.174 178.212 176.000 0.063 0.000 0.988 1785 Q CA 2.136 57.988 55.803 0.081 0.000 0.878 1785 Q CB -0.232 28.521 28.738 0.026 0.000 0.909 1785 Q HN 0.612 nan 8.270 nan 0.000 0.424 1786 L N -0.633 120.649 121.223 0.098 0.000 2.072 1786 L HA -0.125 4.216 4.340 0.001 0.000 0.205 1786 L C 1.242 178.162 176.870 0.084 0.000 1.079 1786 L CA 1.050 55.926 54.840 0.059 0.000 0.752 1786 L CB -0.214 41.909 42.059 0.106 0.000 0.906 1786 L HN 0.315 nan 8.230 nan 0.000 0.436 1787 C N 0.178 119.570 119.300 0.154 0.000 2.379 1787 C HA 0.669 5.129 4.460 0.001 0.000 0.476 1787 C C 1.515 176.627 174.990 0.202 0.000 1.068 1787 C CA -1.074 58.032 59.018 0.148 0.000 1.406 1787 C CB -1.408 26.404 27.740 0.120 0.000 1.496 1787 C HN 0.700 nan 8.230 nan 0.000 0.551 1788 G N 1.608 110.495 108.800 0.144 0.000 2.449 1788 G HA2 0.034 3.994 3.960 0.001 0.000 0.304 1788 G HA3 0.034 3.994 3.960 0.001 0.000 0.304 1788 G C 0.471 175.488 174.900 0.195 0.000 0.962 1788 G CA 0.585 45.765 45.100 0.133 0.000 0.943 1788 G HN 1.300 nan 8.290 nan 0.000 0.514 1789 A N -0.883 122.078 122.820 0.235 0.000 2.242 1789 A HA 0.873 5.193 4.320 0.001 0.000 0.304 1789 A C 0.621 178.253 177.584 0.080 0.000 1.100 1789 A CA 0.363 52.487 52.037 0.145 0.000 0.860 1789 A CB 1.289 20.297 19.000 0.014 0.000 1.168 1789 A HN 0.960 nan 8.150 nan 0.000 0.503 1790 S N -0.923 114.809 115.700 0.054 0.000 2.519 1790 S HA 0.510 4.981 4.470 0.001 0.000 0.309 1790 S C -1.108 173.526 174.600 0.057 0.000 1.100 1790 S CA -0.379 57.854 58.200 0.054 0.000 1.059 1790 S CB 1.174 64.410 63.200 0.061 0.000 1.008 1790 S HN 0.589 nan 8.310 nan 0.000 0.478 1791 V N 5.794 125.732 119.914 0.039 0.000 2.333 1791 V HA 0.399 4.520 4.120 0.001 0.000 0.274 1791 V C -0.103 175.995 176.094 0.008 0.000 1.028 1791 V CA -0.374 61.943 62.300 0.028 0.000 0.851 1791 V CB 1.373 33.206 31.823 0.017 0.000 1.000 1791 V HN 0.701 nan 8.190 nan 0.000 0.456 1792 V N 6.661 126.570 119.914 -0.008 0.000 2.644 1792 V HA 0.405 4.526 4.120 0.001 0.000 0.295 1792 V C 1.006 177.027 176.094 -0.122 0.000 1.053 1792 V CA -0.612 61.624 62.300 -0.107 0.000 0.987 1792 V CB 1.777 33.424 31.823 -0.293 0.000 1.006 1792 V HN 0.780 nan 8.190 nan 0.000 0.472 1793 K N 1.549 121.871 120.400 -0.130 0.000 2.214 1793 K HA 0.159 4.479 4.320 0.001 0.000 0.201 1793 K C 0.337 176.860 176.600 -0.129 0.000 1.049 1793 K CA 0.542 56.772 56.287 -0.094 0.000 0.978 1793 K CB 0.376 32.839 32.500 -0.061 0.000 0.842 1793 K HN 0.816 nan 8.250 nan 0.000 0.474 1794 E N 1.218 121.294 120.200 -0.207 0.000 2.238 1794 E HA 0.186 4.537 4.350 0.001 0.000 0.267 1794 E C 1.112 177.456 176.600 -0.427 0.000 0.887 1794 E CA -0.470 55.775 56.400 -0.258 0.000 0.769 1794 E CB 1.419 31.015 29.700 -0.174 0.000 1.187 1794 E HN -0.137 nan 8.360 nan 0.000 0.416 1795 L N 0.809 121.716 121.223 -0.527 0.000 2.064 1795 L HA -0.221 4.120 4.340 0.001 0.000 0.216 1795 L C 1.259 177.857 176.870 -0.453 0.000 1.077 1795 L CA 1.701 56.189 54.840 -0.587 0.000 0.766 1795 L CB -0.675 41.099 42.059 -0.476 0.000 0.890 1795 L HN 0.362 nan 8.230 nan 0.000 0.435 1796 S N -0.321 115.202 115.700 -0.294 0.000 3.361 1796 S HA 0.074 4.544 4.470 0.001 0.000 0.246 1796 S C 0.779 175.274 174.600 -0.175 0.000 1.237 1796 S CA 0.115 58.206 58.200 -0.182 0.000 1.240 1796 S CB -0.151 62.970 63.200 -0.132 0.000 1.154 1796 S HN 0.330 nan 8.310 nan 0.000 0.461 1797 S N 0.052 115.604 115.700 -0.245 0.000 2.967 1797 S HA 0.244 4.714 4.470 0.001 0.000 0.236 1797 S C -0.248 174.283 174.600 -0.116 0.000 0.804 1797 S CA -0.613 57.484 58.200 -0.173 0.000 1.223 1797 S CB 0.086 63.176 63.200 -0.184 0.000 1.268 1797 S HN 0.592 nan 8.310 nan 0.000 0.573 1798 F N 3.372 123.288 119.950 -0.057 0.000 2.445 1798 F HA 0.183 4.711 4.527 0.000 0.000 0.359 1798 F C 1.296 177.068 175.800 -0.046 0.000 1.101 1798 F CA -0.278 57.691 58.000 -0.052 0.000 1.177 1798 F CB 0.939 39.903 39.000 -0.059 0.000 1.110 1798 F HN 0.054 nan 8.300 nan 0.000 0.522 1799 T N 3.884 118.543 114.554 0.174 0.000 4.058 1799 T HA 0.033 4.384 4.350 0.001 0.000 0.252 1799 T C 1.702 176.424 174.700 0.035 0.000 1.264 1799 T CA -0.451 61.693 62.100 0.073 0.000 1.094 1799 T CB -0.023 68.873 68.868 0.046 0.000 1.316 1799 T HN 0.574 nan 8.240 nan 0.000 0.872 1800 L N 2.546 123.786 121.223 0.028 0.000 2.040 1800 L HA -0.173 4.167 4.340 0.001 0.000 0.228 1800 L C 1.842 178.679 176.870 -0.056 0.000 1.092 1800 L CA 2.521 57.335 54.840 -0.043 0.000 0.805 1800 L CB -1.746 40.289 42.059 -0.039 0.000 0.905 1800 L HN 0.835 nan 8.230 nan 0.000 0.443 1801 G N 0.210 108.990 108.800 -0.032 0.000 2.293 1801 G HA2 -0.390 3.570 3.960 0.001 0.000 0.271 1801 G HA3 -0.390 3.570 3.960 0.001 0.000 0.271 1801 G C 1.180 176.045 174.900 -0.058 0.000 0.857 1801 G CA 1.688 46.767 45.100 -0.035 0.000 1.221 1801 G HN 0.926 nan 8.290 nan 0.000 0.445 1802 T N -2.996 111.515 114.554 -0.071 0.000 10.752 1802 T HA -0.473 3.878 4.350 0.001 0.000 0.418 1802 T C 2.941 177.552 174.700 -0.148 0.000 1.441 1802 T CA 3.021 65.062 62.100 -0.098 0.000 2.425 1802 T CB -1.535 67.291 68.868 -0.070 0.000 2.923 1802 T HN 1.916 nan 8.240 nan 0.000 1.073 1803 G N 2.159 110.889 108.800 -0.117 0.000 2.586 1803 G HA2 0.082 4.043 3.960 0.001 0.000 0.218 1803 G HA3 0.082 4.043 3.960 0.001 0.000 0.218 1803 G C 0.824 175.592 174.900 -0.221 0.000 1.216 1803 G CA 1.079 46.103 45.100 -0.127 0.000 0.786 1803 G HN 0.881 nan 8.290 nan 0.000 0.583 1804 V N 0.914 120.725 119.914 -0.171 0.000 2.785 1804 V HA 0.428 4.548 4.120 0.001 0.000 0.300 1804 V C -0.470 175.466 176.094 -0.262 0.000 1.062 1804 V CA -0.828 61.390 62.300 -0.137 0.000 1.029 1804 V CB 1.306 33.110 31.823 -0.031 0.000 1.024 1804 V HN 0.490 nan 8.190 nan 0.000 0.477 1805 H N 5.563 124.572 119.070 -0.101 0.000 2.473 1805 H HA 0.558 5.114 4.556 0.001 0.000 0.327 1805 H C -2.428 172.751 175.328 -0.248 0.000 1.105 1805 H CA -1.803 54.151 56.048 -0.156 0.000 1.280 1805 H CB 1.209 30.904 29.762 -0.111 0.000 1.450 1805 H HN 0.468 nan 8.280 nan 0.000 0.492 1806 P HA 0.398 nan 4.420 nan 0.000 0.298 1806 P C -1.093 175.888 177.300 -0.532 0.000 1.341 1806 P CA -0.615 62.069 63.100 -0.695 0.000 0.988 1806 P CB 2.447 33.323 31.700 -1.373 0.000 1.265 1807 I N 1.254 121.586 120.570 -0.396 0.000 2.722 1807 I HA 0.348 4.519 4.170 0.001 0.000 0.295 1807 I C -0.196 175.961 176.117 0.066 0.000 1.161 1807 I CA -1.111 60.067 61.300 -0.203 0.000 1.032 1807 I CB 2.137 39.974 38.000 -0.272 0.000 1.244 1807 I HN 0.047 nan 8.210 nan 0.000 0.421 1808 V N 5.290 125.251 119.914 0.079 0.000 2.532 1808 V HA 0.566 4.686 4.120 0.001 0.000 0.295 1808 V C -0.031 176.134 176.094 0.118 0.000 1.041 1808 V CA -0.744 61.660 62.300 0.172 0.000 0.926 1808 V CB 2.394 34.326 31.823 0.182 0.000 0.992 1808 V HN 0.468 nan 8.190 nan 0.000 0.457 1809 V N 4.775 124.800 119.914 0.186 0.000 2.409 1809 V HA 0.433 4.554 4.120 0.001 0.000 0.290 1809 V C -0.251 176.003 176.094 0.267 0.000 1.017 1809 V CA -0.437 61.987 62.300 0.207 0.000 0.841 1809 V CB 1.842 33.815 31.823 0.251 0.000 1.003 1809 V HN 0.657 nan 8.190 nan 0.000 0.426 1810 V N 4.138 124.136 119.914 0.140 0.000 2.713 1810 V HA 0.494 4.614 4.120 0.001 0.000 0.307 1810 V C -0.027 175.942 176.094 -0.208 0.000 1.052 1810 V CA -0.772 61.515 62.300 -0.021 0.000 0.967 1810 V CB 1.815 33.577 31.823 -0.102 0.000 1.019 1810 V HN 0.947 nan 8.190 nan 0.000 0.459 1811 Q N 5.109 124.538 119.800 -0.618 0.000 2.303 1811 Q HA 0.337 4.677 4.340 0.001 0.000 0.257 1811 Q C -1.972 173.724 176.000 -0.507 0.000 0.941 1811 Q CA -1.489 53.930 55.803 -0.639 0.000 0.931 1811 Q CB 2.098 30.166 28.738 -1.116 0.000 1.215 1811 Q HN 0.479 nan 8.270 nan 0.000 0.437 1812 P HA -0.113 nan 4.420 nan 0.000 0.215 1812 P C 0.407 177.389 177.300 -0.530 0.000 1.160 1812 P CA 1.132 63.869 63.100 -0.606 0.000 0.869 1812 P CB 0.104 31.572 31.700 -0.388 0.000 0.782 1813 D N 0.856 121.092 120.400 -0.273 0.000 2.178 1813 D HA -0.104 4.536 4.640 0.001 0.000 0.202 1813 D C 1.908 178.140 176.300 -0.113 0.000 0.974 1813 D CA 1.369 55.283 54.000 -0.143 0.000 0.841 1813 D CB -1.193 39.553 40.800 -0.089 0.000 0.953 1813 D HN 0.134 nan 8.370 nan 0.000 0.478 1814 A N 0.797 123.528 122.820 -0.148 0.000 1.948 1814 A HA -0.168 4.153 4.320 0.001 0.000 0.220 1814 A C 1.176 178.786 177.584 0.044 0.000 1.177 1814 A CA 0.864 52.853 52.037 -0.079 0.000 0.636 1814 A CB -1.166 17.744 19.000 -0.149 0.000 0.815 1814 A HN 0.595 nan 8.150 nan 0.000 0.449 1815 W N 2.449 123.671 121.300 -0.130 0.000 2.261 1815 W HA 0.347 5.007 4.660 0.001 0.000 0.323 1815 W C 0.278 176.818 176.519 0.034 0.000 1.243 1815 W CA -0.099 57.226 57.345 -0.034 0.000 1.210 1815 W CB 0.701 30.167 29.460 0.010 0.000 1.149 1815 W HN 0.360 nan 8.180 nan 0.000 0.562 1820 G N -0.327 108.283 108.800 -0.317 0.000 2.692 1820 G HA2 0.033 3.994 3.960 0.001 0.000 0.201 1820 G HA3 0.033 3.994 3.960 0.001 0.000 0.201 1820 G C 0.784 175.472 174.900 -0.355 0.000 1.063 1820 G CA -0.196 44.741 45.100 -0.271 0.000 0.790 1820 G HN 0.380 nan 8.290 nan 0.000 0.599 1821 F N 1.205 121.018 119.950 -0.229 0.000 2.724 1821 F HA 0.144 4.671 4.527 0.001 0.000 0.297 1821 F C 1.612 177.393 175.800 -0.032 0.000 1.200 1821 F CA 0.289 58.221 58.000 -0.115 0.000 1.468 1821 F CB -1.132 37.836 39.000 -0.053 0.000 1.116 1821 F HN 0.292 nan 8.300 nan 0.000 0.599 1822 H N 0.268 119.267 119.070 -0.118 0.000 2.482 1822 H HA 0.368 4.925 4.556 0.001 0.000 0.286 1822 H C 1.727 177.074 175.328 0.031 0.000 1.017 1822 H CA 0.419 56.454 56.048 -0.022 0.000 1.322 1822 H CB 0.139 29.833 29.762 -0.114 0.000 1.426 1822 H HN 0.386 nan 8.280 nan 0.000 0.546 1823 A N 0.927 123.793 122.820 0.077 0.000 2.797 1823 A HA 0.223 4.543 4.320 0.001 0.000 0.287 1823 A C 1.270 178.904 177.584 0.084 0.000 1.369 1823 A CA -0.167 51.911 52.037 0.069 0.000 0.968 1823 A CB -0.798 18.221 19.000 0.031 0.000 1.069 1823 A HN 0.337 nan 8.150 nan 0.000 0.571 1824 I N -0.872 119.773 120.570 0.126 0.000 2.494 1824 I HA -0.047 4.124 4.170 0.001 0.000 0.250 1824 I C 2.654 178.819 176.117 0.081 0.000 1.112 1824 I CA 1.052 62.432 61.300 0.133 0.000 1.438 1824 I CB -0.382 37.740 38.000 0.202 0.000 1.111 1824 I HN 0.453 nan 8.210 nan 0.000 0.431 1825 G N 0.541 109.390 108.800 0.083 0.000 2.517 1825 G HA2 -0.273 3.687 3.960 0.001 0.000 0.222 1825 G HA3 -0.273 3.687 3.960 0.001 0.000 0.222 1825 G C 1.436 176.359 174.900 0.039 0.000 1.109 1825 G CA 0.474 45.607 45.100 0.055 0.000 0.746 1825 G HN 0.446 nan 8.290 nan 0.000 0.576 1826 Q N -1.070 118.755 119.800 0.042 0.000 2.557 1826 Q HA 0.179 4.520 4.340 0.001 0.000 0.217 1826 Q C 1.641 177.650 176.000 0.016 0.000 0.978 1826 Q CA 0.456 56.275 55.803 0.027 0.000 0.950 1826 Q CB 0.042 28.797 28.738 0.029 0.000 0.991 1826 Q HN 0.515 nan 8.270 nan 0.000 0.533 1827 M N -1.874 117.733 119.600 0.013 0.000 2.198 1827 M HA 0.101 4.582 4.480 0.001 0.000 0.326 1827 M C -0.186 176.113 176.300 -0.002 0.000 0.924 1827 M CA 0.043 55.338 55.300 -0.008 0.000 1.118 1827 M CB 1.582 34.158 32.600 -0.039 0.000 1.947 1827 M HN 0.257 nan 8.290 nan 0.000 0.662 1828 C N -1.831 117.481 119.300 0.019 0.000 3.306 1828 C HA 0.568 5.028 4.460 0.001 0.000 0.335 1828 C C -0.636 174.375 174.990 0.034 0.000 1.382 1828 C CA -0.792 58.251 59.018 0.042 0.000 1.254 1828 C CB 1.216 29.013 27.740 0.095 0.000 1.555 1828 C HN 0.261 nan 8.230 nan 0.000 0.463 1829 E N 0.658 120.872 120.200 0.023 0.000 2.736 1829 E HA 0.435 4.785 4.350 0.001 0.000 0.208 1829 E C 0.501 177.059 176.600 -0.070 0.000 0.996 1829 E CA 0.208 56.597 56.400 -0.018 0.000 1.104 1829 E CB 0.800 30.485 29.700 -0.024 0.000 1.111 1829 E HN 0.906 nan 8.360 nan 0.000 0.455 1830 A N 1.869 124.640 122.820 -0.081 0.000 2.256 1830 A HA 0.707 5.028 4.320 0.001 0.000 0.318 1830 A C -2.378 175.156 177.584 -0.082 0.000 1.103 1830 A CA -1.329 50.608 52.037 -0.168 0.000 0.860 1830 A CB 0.340 19.141 19.000 -0.332 0.000 1.182 1830 A HN -0.078 nan 8.150 nan 0.000 0.501 1831 P HA 0.423 nan 4.420 nan 0.000 0.279 1831 P C -0.861 176.406 177.300 -0.055 0.000 1.252 1831 P CA -0.389 62.665 63.100 -0.078 0.000 0.811 1831 P CB 1.036 32.661 31.700 -0.124 0.000 1.035 1832 V N -0.133 119.778 119.914 -0.007 0.000 2.217 1832 V HA 0.334 4.455 4.120 0.001 0.000 0.264 1832 V C 0.514 176.621 176.094 0.022 0.000 1.107 1832 V CA -0.912 61.412 62.300 0.041 0.000 0.913 1832 V CB 0.000 31.890 31.823 0.111 0.000 1.153 1832 V HN 0.389 nan 8.190 nan 0.000 0.469 1833 V N 1.140 121.024 119.914 -0.050 0.000 3.214 1833 V HA 0.636 4.756 4.120 0.001 0.000 0.306 1833 V C 0.421 176.565 176.094 0.084 0.000 1.078 1833 V CA -0.032 62.252 62.300 -0.027 0.000 1.077 1833 V CB 1.393 33.048 31.823 -0.280 0.000 1.121 1833 V HN 0.648 nan 8.190 nan 0.000 0.468 1834 T N 1.023 115.682 114.554 0.174 0.000 2.867 1834 T HA 0.301 4.651 4.350 0.001 0.000 0.282 1834 T C 1.065 175.887 174.700 0.204 0.000 1.000 1834 T CA -0.059 62.136 62.100 0.159 0.000 1.042 1834 T CB 1.008 69.974 68.868 0.164 0.000 0.973 1834 T HN 0.946 nan 8.240 nan 0.000 0.465 1835 R N 2.214 122.795 120.500 0.136 0.000 2.224 1835 R HA -0.228 4.113 4.340 0.001 0.000 0.255 1835 R C 1.407 177.799 176.300 0.152 0.000 1.130 1835 R CA 2.430 58.629 56.100 0.166 0.000 0.957 1835 R CB -0.302 30.059 30.300 0.102 0.000 0.907 1835 R HN 0.666 nan 8.270 nan 0.000 0.446 1836 E N -0.358 119.946 120.200 0.173 0.000 2.301 1836 E HA -0.259 4.092 4.350 0.001 0.000 0.202 1836 E C 1.382 178.085 176.600 0.172 0.000 1.017 1836 E CA 1.460 57.993 56.400 0.221 0.000 0.831 1836 E CB -0.591 29.302 29.700 0.321 0.000 0.742 1836 E HN 0.621 nan 8.360 nan 0.000 0.491 1837 W N 1.235 122.428 121.300 -0.177 0.000 2.381 1837 W HA -0.177 4.484 4.660 0.000 0.000 0.301 1837 W C 2.058 178.394 176.519 -0.306 0.000 1.205 1837 W CA 1.417 58.315 57.345 -0.745 0.000 1.285 1837 W CB -0.373 28.688 29.460 -0.665 0.000 1.133 1837 W HN -0.140 nan 8.180 nan 0.000 0.521 1838 V N 1.477 121.276 119.914 -0.191 0.000 2.237 1838 V HA -0.346 3.775 4.120 0.001 0.000 0.245 1838 V C 2.442 178.357 176.094 -0.299 0.000 1.046 1838 V CA 2.226 64.339 62.300 -0.312 0.000 1.007 1838 V CB -1.276 30.504 31.823 -0.071 0.000 0.638 1838 V HN 0.225 nan 8.190 nan 0.000 0.445 1839 L N -0.055 121.040 121.223 -0.214 0.000 1.944 1839 L HA -0.237 4.103 4.340 0.001 0.000 0.218 1839 L C 2.456 179.314 176.870 -0.020 0.000 1.075 1839 L CA 2.048 56.763 54.840 -0.210 0.000 0.767 1839 L CB -1.143 40.799 42.059 -0.195 0.000 0.890 1839 L HN 0.304 nan 8.230 nan 0.000 0.434 1840 D N -0.197 120.202 120.400 -0.003 0.000 2.158 1840 D HA -0.169 4.471 4.640 0.001 0.000 0.197 1840 D C 2.380 178.635 176.300 -0.076 0.000 0.995 1840 D CA 1.468 55.493 54.000 0.041 0.000 0.846 1840 D CB -0.200 40.691 40.800 0.151 0.000 0.941 1840 D HN 0.181 nan 8.370 nan 0.000 0.456 1841 S N -0.471 115.053 115.700 -0.294 0.000 2.383 1841 S HA -0.068 4.402 4.470 0.001 0.000 0.227 1841 S C 2.210 176.663 174.600 -0.245 0.000 1.026 1841 S CA 0.538 58.509 58.200 -0.380 0.000 0.981 1841 S CB 0.133 62.867 63.200 -0.777 0.000 0.818 1841 S HN 0.137 nan 8.310 nan 0.000 0.472 1842 V N 1.586 121.411 119.914 -0.149 0.000 2.535 1842 V HA 0.026 4.146 4.120 0.001 0.000 0.246 1842 V C 2.514 178.629 176.094 0.034 0.000 1.045 1842 V CA 1.080 63.369 62.300 -0.017 0.000 1.058 1842 V CB -1.356 30.485 31.823 0.029 0.000 0.689 1842 V HN 0.460 nan 8.190 nan 0.000 0.461 1843 A N 1.217 124.051 122.820 0.023 0.000 1.837 1843 A HA -0.206 4.115 4.320 0.001 0.000 0.216 1843 A C 2.035 179.641 177.584 0.037 0.000 1.210 1843 A CA 2.278 54.285 52.037 -0.050 0.000 0.632 1843 A CB -0.861 18.159 19.000 0.032 0.000 0.843 1843 A HN 0.453 nan 8.150 nan 0.000 0.448 1844 L N -2.922 118.340 121.223 0.065 0.000 2.456 1844 L HA -0.024 4.316 4.340 0.001 0.000 0.224 1844 L C 1.244 178.180 176.870 0.110 0.000 1.148 1844 L CA 1.009 55.907 54.840 0.096 0.000 0.825 1844 L CB -0.888 41.227 42.059 0.093 0.000 0.937 1844 L HN 0.533 nan 8.230 nan 0.000 0.450 1845 Y N 0.033 120.269 120.300 -0.107 0.000 4.144 1845 Y HA -0.358 4.192 4.550 0.000 0.000 0.216 1845 Y C 0.942 176.748 175.900 -0.156 0.000 1.115 1845 Y CA 0.421 58.422 58.100 -0.165 0.000 1.729 1845 Y CB -1.564 36.814 38.460 -0.138 0.000 1.553 1845 Y HN 0.372 nan 8.280 nan 0.000 0.633 1846 Q N -1.021 118.670 119.800 -0.182 0.000 2.199 1846 Q HA 0.405 4.746 4.340 0.001 0.000 0.232 1846 Q C -0.270 175.560 176.000 -0.283 0.000 0.969 1846 Q CA -0.135 55.535 55.803 -0.222 0.000 0.925 1846 Q CB 1.823 30.517 28.738 -0.074 0.000 1.198 1846 Q HN 0.367 nan 8.270 nan 0.000 0.494 1847 C N 2.271 121.446 119.300 -0.209 0.000 2.265 1847 C HA 0.325 4.785 4.460 0.001 0.000 0.332 1847 C C 0.008 175.047 174.990 0.082 0.000 1.248 1847 C CA -0.368 58.597 59.018 -0.089 0.000 1.727 1847 C CB -0.066 27.681 27.740 0.012 0.000 2.348 1847 C HN 0.717 nan 8.230 nan 0.000 0.519 1848 Q N 2.181 122.067 119.800 0.143 0.000 2.177 1848 Q HA 0.399 4.739 4.340 0.001 0.000 0.183 1848 Q C -0.326 175.929 176.000 0.426 0.000 1.040 1848 Q CA 0.129 56.083 55.803 0.251 0.000 1.089 1848 Q CB 0.556 29.395 28.738 0.169 0.000 1.130 1848 Q HN 0.741 nan 8.270 nan 0.000 0.575 1849 E N 0.381 120.820 120.200 0.398 0.000 2.081 1849 E HA 0.178 4.529 4.350 0.001 0.000 0.281 1849 E C 0.263 177.088 176.600 0.375 0.000 0.986 1849 E CA -0.038 56.544 56.400 0.302 0.000 0.796 1849 E CB 0.385 30.212 29.700 0.212 0.000 1.085 1849 E HN 0.427 nan 8.360 nan 0.000 0.398 1850 L N 1.531 122.857 121.223 0.172 0.000 2.189 1850 L HA -0.259 4.082 4.340 0.001 0.000 0.214 1850 L C 0.834 177.825 176.870 0.202 0.000 1.097 1850 L CA 1.128 56.010 54.840 0.070 0.000 0.764 1850 L CB -0.640 41.320 42.059 -0.164 0.000 0.900 1850 L HN 0.539 nan 8.230 nan 0.000 0.436 1851 D N 0.619 121.105 120.400 0.143 0.000 2.472 1851 D HA -0.288 4.352 4.640 0.001 0.000 0.194 1851 D C 2.121 178.451 176.300 0.049 0.000 1.023 1851 D CA 2.737 56.787 54.000 0.083 0.000 0.869 1851 D CB -0.433 40.407 40.800 0.066 0.000 0.997 1851 D HN 0.458 nan 8.370 nan 0.000 0.463 1852 T N -2.943 111.603 114.554 -0.014 0.000 3.072 1852 T HA -0.120 4.231 4.350 0.001 0.000 0.266 1852 T C 1.341 175.878 174.700 -0.271 0.000 1.127 1852 T CA 0.755 62.721 62.100 -0.223 0.000 1.107 1852 T CB -0.385 68.232 68.868 -0.419 0.000 0.910 1852 T HN 0.289 nan 8.240 nan 0.000 0.513 1853 Y N 0.362 120.705 120.300 0.071 0.000 2.481 1853 Y HA 0.534 5.084 4.550 0.001 0.000 0.247 1853 Y C 0.455 176.373 175.900 0.031 0.000 1.151 1853 Y CA -1.172 56.974 58.100 0.077 0.000 1.238 1853 Y CB 0.026 38.573 38.460 0.144 0.000 1.179 1853 Y HN 0.123 nan 8.280 nan 0.000 0.524 1854 L N 0.484 121.785 121.223 0.130 0.000 2.439 1854 L HA 0.333 4.674 4.340 0.001 0.000 0.261 1854 L C -0.531 176.393 176.870 0.090 0.000 1.153 1854 L CA -0.369 54.519 54.840 0.079 0.000 0.808 1854 L CB 0.545 42.629 42.059 0.041 0.000 1.126 1854 L HN -0.062 nan 8.230 nan 0.000 0.460 1855 I N 2.468 123.099 120.570 0.102 0.000 2.474 1855 I HA 0.362 4.532 4.170 0.001 0.000 0.294 1855 I C -2.151 174.051 176.117 0.142 0.000 1.005 1855 I CA -2.220 59.170 61.300 0.150 0.000 1.113 1855 I CB 1.686 39.811 38.000 0.208 0.000 1.289 1855 I HN 0.406 nan 8.210 nan 0.000 0.436 1856 P HA -0.009 nan 4.420 nan 0.000 0.258 1856 P C -1.117 176.246 177.300 0.104 0.000 1.187 1856 P CA -0.168 62.978 63.100 0.076 0.000 0.767 1856 P CB 0.335 32.042 31.700 0.011 0.000 0.770 1857 Q N 3.108 122.954 119.800 0.078 0.000 2.314 1857 Q HA 0.438 4.778 4.340 0.001 0.000 0.259 1857 Q C -0.051 175.980 176.000 0.053 0.000 0.951 1857 Q CA -0.419 55.433 55.803 0.082 0.000 0.909 1857 Q CB 2.001 30.780 28.738 0.070 0.000 1.236 1857 Q HN 0.579 nan 8.270 nan 0.000 0.444 1858 I N 4.597 125.204 120.570 0.062 0.000 2.371 1858 I HA 0.331 4.501 4.170 0.001 0.000 0.282 1858 I C -2.141 173.997 176.117 0.035 0.000 1.031 1858 I CA -1.986 59.338 61.300 0.040 0.000 1.180 1858 I CB 1.432 39.462 38.000 0.049 0.000 1.336 1858 I HN 0.332 nan 8.210 nan 0.000 0.467 1859 P HA 0.000 nan 4.420 nan 0.000 0.216 1859 P CA 0.000 63.110 63.100 0.017 0.000 0.800 1859 P CB 0.000 31.706 31.700 0.011 0.000 0.726