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 1gc4_1_D DATA FIRST_RESID 1501 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 1501 M HA 0.000 nan 4.480 nan 0.000 0.227 1501 M C 0.000 176.300 176.300 0.001 0.000 1.140 1501 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1501 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 1502 R N 0.379 120.879 120.500 0.002 0.000 2.747 1502 R HA 0.760 5.100 4.340 0.000 0.000 0.278 1502 R C -0.186 176.115 176.300 0.002 0.000 1.153 1502 R CA 0.679 56.781 56.100 0.003 0.000 1.206 1502 R CB 0.561 30.863 30.300 0.003 0.000 1.161 1502 R HN 0.937 nan 8.270 nan 0.000 0.589 1503 G N -0.124 108.678 108.800 0.004 0.000 2.465 1503 G HA2 -0.014 3.947 3.960 0.000 0.000 0.681 1503 G HA3 -0.014 3.947 3.960 0.000 0.000 0.681 1503 G C -1.401 173.503 174.900 0.006 0.000 1.340 1503 G CA -1.132 43.970 45.100 0.004 0.000 0.884 1503 G HN 0.284 nan 8.290 nan 0.000 0.650 1504 L N 1.315 122.543 121.223 0.008 0.000 2.453 1504 L HA 0.597 4.937 4.340 0.000 0.000 0.261 1504 L C 1.750 178.624 176.870 0.007 0.000 1.179 1504 L CA 0.322 55.170 54.840 0.013 0.000 0.813 1504 L CB 0.966 43.037 42.059 0.019 0.000 1.110 1504 L HN 1.055 nan 8.230 nan 0.000 0.466 1505 S N 1.319 117.024 115.700 0.007 0.000 2.634 1505 S HA 0.207 4.678 4.470 0.000 0.000 0.254 1505 S C 0.707 175.297 174.600 -0.016 0.000 1.299 1505 S CA -0.264 57.929 58.200 -0.012 0.000 0.974 1505 S CB 0.307 63.492 63.200 -0.025 0.000 1.001 1505 S HN 0.642 nan 8.310 nan 0.000 0.584 1506 R N -0.382 120.094 120.500 -0.039 0.000 2.432 1506 R HA 0.319 4.659 4.340 0.000 0.000 0.260 1506 R C 1.666 177.932 176.300 -0.058 0.000 0.935 1506 R CA -0.102 55.977 56.100 -0.037 0.000 1.080 1506 R CB -0.307 29.972 30.300 -0.035 0.000 1.155 1506 R HN 0.781 nan 8.270 nan 0.000 0.531 1507 R N -0.318 120.118 120.500 -0.106 0.000 2.225 1507 R HA 0.167 4.507 4.340 0.000 0.000 0.194 1507 R C 1.435 177.735 176.300 0.001 0.000 0.957 1507 R CA 0.515 56.496 56.100 -0.198 0.000 1.042 1507 R CB -0.007 29.974 30.300 -0.531 0.000 1.004 1507 R HN 0.119 nan 8.270 nan 0.000 0.509 1508 V N 0.283 120.263 119.914 0.110 0.000 3.590 1508 V HA 0.081 4.201 4.120 0.000 0.000 0.265 1508 V C 1.472 177.644 176.094 0.129 0.000 1.239 1508 V CA 0.855 63.324 62.300 0.283 0.000 1.117 1508 V CB 0.357 32.330 31.823 0.249 0.000 0.818 1508 V HN 0.400 nan 8.190 nan 0.000 0.451 1509 Q N -0.398 119.442 119.800 0.067 0.000 2.376 1509 Q HA 0.233 4.574 4.340 0.000 0.000 0.206 1509 Q C 1.963 177.982 176.000 0.032 0.000 0.921 1509 Q CA 0.988 56.813 55.803 0.038 0.000 0.911 1509 Q CB 0.188 28.936 28.738 0.017 0.000 1.032 1509 Q HN 0.727 nan 8.270 nan 0.000 0.510 1510 A N 0.550 123.391 122.820 0.036 0.000 2.238 1510 A HA 0.148 4.468 4.320 0.000 0.000 0.210 1510 A C 0.978 178.582 177.584 0.034 0.000 1.179 1510 A CA -0.293 51.758 52.037 0.024 0.000 0.827 1510 A CB -0.213 18.792 19.000 0.007 0.000 0.856 1510 A HN 0.404 nan 8.150 nan 0.000 0.488 1511 M N -0.304 119.334 119.600 0.064 0.000 2.228 1511 M HA 0.357 4.838 4.480 0.000 0.000 0.351 1511 M C -0.288 176.010 176.300 -0.003 0.000 1.233 1511 M CA 0.160 55.486 55.300 0.042 0.000 1.129 1511 M CB 0.381 33.026 32.600 0.074 0.000 1.604 1511 M HN -0.068 nan 8.290 nan 0.000 0.457 1512 K N 3.067 123.448 120.400 -0.033 0.000 2.185 1512 K HA 0.472 4.792 4.320 0.000 0.000 0.271 1512 K C -2.407 174.151 176.600 -0.070 0.000 1.013 1512 K CA -1.516 54.744 56.287 -0.045 0.000 0.943 1512 K CB 0.826 33.293 32.500 -0.054 0.000 0.998 1512 K HN 0.440 nan 8.250 nan 0.000 0.468 1513 P HA 0.021 nan 4.420 nan 0.000 0.270 1513 P C -1.112 176.132 177.300 -0.093 0.000 1.223 1513 P CA -0.179 62.883 63.100 -0.064 0.000 0.785 1513 P CB 0.488 32.166 31.700 -0.037 0.000 0.923 1514 D N -0.034 120.311 120.400 -0.092 0.000 2.351 1514 D HA 0.286 4.926 4.640 0.000 0.000 0.251 1514 D C 1.051 177.310 176.300 -0.068 0.000 1.137 1514 D CA 0.102 54.035 54.000 -0.112 0.000 0.879 1514 D CB 0.835 41.581 40.800 -0.089 0.000 1.181 1514 D HN 0.249 nan 8.370 nan 0.000 0.448 1515 A N 2.918 125.687 122.820 -0.084 0.000 1.929 1515 A HA -0.101 4.219 4.320 0.000 0.000 0.216 1515 A C 2.082 179.691 177.584 0.041 0.000 1.176 1515 A CA 1.318 53.347 52.037 -0.014 0.000 0.628 1515 A CB -0.660 18.338 19.000 -0.004 0.000 0.816 1515 A HN 0.514 nan 8.150 nan 0.000 0.444 1516 V N -0.474 119.471 119.914 0.051 0.000 2.244 1516 V HA -0.178 3.942 4.120 0.000 0.000 0.244 1516 V C 2.179 178.313 176.094 0.066 0.000 1.042 1516 V CA 2.628 64.990 62.300 0.104 0.000 1.006 1516 V CB -0.890 31.029 31.823 0.159 0.000 0.641 1516 V HN 0.246 nan 8.190 nan 0.000 0.446 1517 V N 1.077 121.014 119.914 0.038 0.000 2.324 1517 V HA -0.262 3.858 4.120 0.000 0.000 0.250 1517 V C 3.058 179.165 176.094 0.021 0.000 1.060 1517 V CA 2.517 64.832 62.300 0.024 0.000 1.042 1517 V CB -1.495 30.328 31.823 0.000 0.000 0.650 1517 V HN 0.752 nan 8.190 nan 0.000 0.450 1518 A N -0.651 122.179 122.820 0.016 0.000 1.898 1518 A HA -0.143 4.177 4.320 0.000 0.000 0.216 1518 A C 2.371 179.973 177.584 0.029 0.000 1.181 1518 A CA 1.990 54.038 52.037 0.017 0.000 0.620 1518 A CB -0.592 18.414 19.000 0.011 0.000 0.819 1518 A HN 0.342 nan 8.150 nan 0.000 0.442 1519 V N 0.721 120.660 119.914 0.043 0.000 2.427 1519 V HA -0.209 3.911 4.120 0.000 0.000 0.248 1519 V C 2.409 178.531 176.094 0.047 0.000 1.051 1519 V CA 1.954 64.285 62.300 0.051 0.000 1.048 1519 V CB -0.901 30.964 31.823 0.070 0.000 0.666 1519 V HN 0.551 nan 8.190 nan 0.000 0.456 1520 N N 0.682 119.411 118.700 0.048 0.000 2.025 1520 N HA -0.166 4.575 4.740 0.000 0.000 0.194 1520 N C 1.981 177.510 175.510 0.031 0.000 1.044 1520 N CA 1.907 54.983 53.050 0.042 0.000 0.851 1520 N CB -0.547 37.966 38.487 0.044 0.000 1.036 1520 N HN 0.432 nan 8.380 nan 0.000 0.422 1521 A N 1.822 124.657 122.820 0.025 0.000 1.903 1521 A HA -0.223 4.097 4.320 0.000 0.000 0.219 1521 A C 2.229 179.825 177.584 0.019 0.000 1.191 1521 A CA 1.607 53.654 52.037 0.018 0.000 0.638 1521 A CB -0.474 18.534 19.000 0.014 0.000 0.823 1521 A HN 0.164 nan 8.150 nan 0.000 0.451 1522 K N -0.480 119.934 120.400 0.023 0.000 1.978 1522 K HA -0.106 4.214 4.320 0.000 0.000 0.214 1522 K C 2.394 179.008 176.600 0.024 0.000 1.049 1522 K CA 1.531 57.832 56.287 0.023 0.000 0.939 1522 K CB -1.091 31.425 32.500 0.027 0.000 0.721 1522 K HN 0.436 nan 8.250 nan 0.000 0.441 1523 A N 2.360 125.197 122.820 0.029 0.000 1.869 1523 A HA -0.232 4.088 4.320 0.000 0.000 0.218 1523 A C 2.248 179.846 177.584 0.022 0.000 1.203 1523 A CA 1.797 53.851 52.037 0.029 0.000 0.638 1523 A CB -0.919 18.101 19.000 0.033 0.000 0.831 1523 A HN 0.284 nan 8.150 nan 0.000 0.450 1524 L N 0.361 121.596 121.223 0.020 0.000 1.963 1524 L HA -0.283 4.057 4.340 0.000 0.000 0.220 1524 L C 2.759 179.637 176.870 0.013 0.000 1.076 1524 L CA 2.976 57.825 54.840 0.015 0.000 0.772 1524 L CB -1.376 40.691 42.059 0.013 0.000 0.892 1524 L HN 0.841 nan 8.230 nan 0.000 0.435 1525 E N -0.702 119.506 120.200 0.013 0.000 2.147 1525 E HA -0.279 4.071 4.350 0.000 0.000 0.199 1525 E C 2.089 178.696 176.600 0.011 0.000 1.005 1525 E CA 1.418 57.825 56.400 0.011 0.000 0.810 1525 E CB -0.160 29.547 29.700 0.011 0.000 0.736 1525 E HN 0.365 nan 8.360 nan 0.000 0.460 1526 L N 1.002 122.233 121.223 0.014 0.000 2.072 1526 L HA -0.024 4.316 4.340 0.000 0.000 0.205 1526 L C 2.602 179.480 176.870 0.012 0.000 1.079 1526 L CA 1.536 56.384 54.840 0.014 0.000 0.752 1526 L CB -1.318 40.751 42.059 0.018 0.000 0.906 1526 L HN 0.176 nan 8.230 nan 0.000 0.436 1527 R N -0.679 119.828 120.500 0.012 0.000 2.159 1527 R HA -0.160 4.181 4.340 0.000 0.000 0.237 1527 R C 2.366 178.670 176.300 0.008 0.000 1.131 1527 R CA 1.090 57.196 56.100 0.010 0.000 0.982 1527 R CB -0.123 30.183 30.300 0.009 0.000 0.868 1527 R HN 0.300 nan 8.270 nan 0.000 0.453 1528 R N 0.440 120.945 120.500 0.008 0.000 2.080 1528 R HA -0.013 4.327 4.340 0.000 0.000 0.222 1528 R C 0.450 176.754 176.300 0.006 0.000 1.107 1528 R CA 0.793 56.897 56.100 0.006 0.000 0.980 1528 R CB 0.351 30.654 30.300 0.006 0.000 0.879 1528 R HN 0.232 nan 8.270 nan 0.000 0.439 1529 Q N 0.659 120.464 119.800 0.008 0.000 3.006 1529 Q HA 0.243 4.584 4.340 0.000 0.000 0.260 1529 Q C 0.392 176.397 176.000 0.008 0.000 1.356 1529 Q CA 0.323 56.130 55.803 0.007 0.000 1.070 1529 Q CB 1.087 29.830 28.738 0.008 0.000 1.507 1529 Q HN 0.440 nan 8.270 nan 0.000 0.568 1530 G N 0.911 109.715 108.800 0.007 0.000 2.595 1530 G HA2 -0.400 3.560 3.960 0.000 0.000 0.297 1530 G HA3 -0.400 3.560 3.960 0.000 0.000 0.297 1530 G C 0.039 174.944 174.900 0.008 0.000 1.181 1530 G CA -0.195 44.910 45.100 0.007 0.000 0.963 1530 G HN 0.833 nan 8.290 nan 0.000 0.541 1531 V N 1.897 121.816 119.914 0.010 0.000 4.492 1531 V HA -0.072 4.049 4.120 0.000 0.000 0.478 1531 V C 0.448 176.549 176.094 0.011 0.000 0.803 1531 V CA 1.802 64.109 62.300 0.012 0.000 1.847 1531 V CB -0.728 31.104 31.823 0.014 0.000 2.145 1531 V HN 1.400 nan 8.190 nan 0.000 0.499 1532 D N 6.209 126.615 120.400 0.011 0.000 2.427 1532 D HA 0.522 5.162 4.640 0.000 0.000 0.226 1532 D C -0.494 175.813 176.300 0.012 0.000 1.076 1532 D CA -0.812 53.193 54.000 0.009 0.000 0.849 1532 D CB 1.738 42.541 40.800 0.005 0.000 1.052 1532 D HN 0.607 nan 8.370 nan 0.000 0.515 1533 L N 0.672 121.904 121.223 0.015 0.000 2.343 1533 L HA 0.487 4.827 4.340 0.000 0.000 0.278 1533 L C -0.506 176.376 176.870 0.019 0.000 0.996 1533 L CA -1.212 53.642 54.840 0.023 0.000 0.831 1533 L CB 1.570 43.648 42.059 0.031 0.000 1.232 1533 L HN 0.029 nan 8.230 nan 0.000 0.413 1534 V N 2.288 122.211 119.914 0.014 0.000 2.493 1534 V HA 0.462 4.582 4.120 0.000 0.000 0.292 1534 V C 1.051 177.158 176.094 0.021 0.000 1.016 1534 V CA 0.256 62.557 62.300 0.002 0.000 1.097 1534 V CB 0.258 32.067 31.823 -0.023 0.000 0.947 1534 V HN 0.993 nan 8.190 nan 0.000 0.479 1535 A N 6.422 129.252 122.820 0.016 0.000 2.322 1535 A HA 0.714 5.034 4.320 0.000 0.000 0.327 1535 A C 0.057 177.659 177.584 0.030 0.000 1.394 1535 A CA -0.611 51.445 52.037 0.032 0.000 0.921 1535 A CB 0.123 19.141 19.000 0.030 0.000 1.153 1535 A HN 0.912 nan 8.150 nan 0.000 0.523 1536 L N 2.715 123.971 121.223 0.054 0.000 2.968 1536 L HA 0.205 4.546 4.340 0.000 0.000 0.235 1536 L C 1.539 178.457 176.870 0.080 0.000 1.323 1536 L CA 0.220 55.094 54.840 0.057 0.000 1.159 1536 L CB -1.132 40.979 42.059 0.087 0.000 1.523 1536 L HN 0.724 nan 8.230 nan 0.000 0.468 1537 T N -2.354 112.244 114.554 0.073 0.000 2.764 1537 T HA 0.292 4.643 4.350 0.000 0.000 0.243 1537 T C 1.076 175.854 174.700 0.131 0.000 1.065 1537 T CA 0.384 62.543 62.100 0.098 0.000 1.219 1537 T CB -0.207 68.713 68.868 0.088 0.000 0.918 1537 T HN 0.332 nan 8.240 nan 0.000 0.409 1538 A N 1.239 124.124 122.820 0.108 0.000 2.445 1538 A HA 0.556 4.877 4.320 0.000 0.000 0.242 1538 A C 1.088 178.768 177.584 0.161 0.000 1.075 1538 A CA -0.110 52.011 52.037 0.140 0.000 0.777 1538 A CB -0.323 18.736 19.000 0.098 0.000 1.013 1538 A HN 0.819 nan 8.150 nan 0.000 0.493 1539 G N 1.469 110.449 108.800 0.301 0.000 3.458 1539 G HA2 0.460 4.420 3.960 0.000 0.000 0.256 1539 G HA3 0.460 4.420 3.960 0.000 0.000 0.256 1539 G C -0.043 175.000 174.900 0.239 0.000 0.938 1539 G CA 0.106 45.470 45.100 0.440 0.000 1.890 1539 G HN 0.888 nan 8.290 nan 0.000 0.639 1540 E N 0.758 120.930 120.200 -0.046 0.000 2.290 1540 E HA 0.498 4.848 4.350 0.000 0.000 0.274 1540 E C -2.931 173.533 176.600 -0.226 0.000 0.889 1540 E CA -2.191 54.177 56.400 -0.054 0.000 0.760 1540 E CB 1.999 31.722 29.700 0.038 0.000 1.206 1540 E HN -0.033 nan 8.360 nan 0.000 0.419 1541 P HA -0.082 nan 4.420 nan 0.000 0.271 1541 P C -0.094 177.182 177.300 -0.041 0.000 1.228 1541 P CA 0.175 63.240 63.100 -0.058 0.000 0.797 1541 P CB 0.522 32.410 31.700 0.314 0.000 0.914 1542 D N -0.383 119.949 120.400 -0.113 0.000 2.423 1542 D HA -0.006 4.634 4.640 0.000 0.000 0.212 1542 D C 0.502 176.765 176.300 -0.062 0.000 1.060 1542 D CA 0.190 54.101 54.000 -0.147 0.000 0.872 1542 D CB -0.532 40.109 40.800 -0.266 0.000 1.012 1542 D HN 0.279 nan 8.370 nan 0.000 0.503 1543 F N 1.551 121.587 119.950 0.144 0.000 2.589 1543 F HA 0.144 4.671 4.527 0.000 0.000 0.352 1543 F C 1.070 176.986 175.800 0.194 0.000 1.168 1543 F CA -0.245 57.871 58.000 0.194 0.000 1.353 1543 F CB 0.458 39.638 39.000 0.300 0.000 1.116 1543 F HN -0.216 nan 8.300 nan 0.000 0.608 1544 D N 0.672 121.302 120.400 0.383 0.000 2.168 1544 D HA 0.083 4.723 4.640 0.000 0.000 0.246 1544 D C -0.350 176.055 176.300 0.175 0.000 1.050 1544 D CA -0.376 53.767 54.000 0.239 0.000 0.857 1544 D CB 1.336 42.243 40.800 0.177 0.000 1.169 1544 D HN 0.476 nan 8.370 nan 0.000 0.453 1545 T N 3.373 117.999 114.554 0.121 0.000 2.765 1545 T HA 0.061 4.411 4.350 0.000 0.000 0.275 1545 T C -2.150 172.454 174.700 -0.160 0.000 1.007 1545 T CA -0.844 61.222 62.100 -0.057 0.000 1.175 1545 T CB 0.096 68.956 68.868 -0.014 0.000 0.993 1545 T HN 0.211 nan 8.240 nan 0.000 0.510 1546 P HA -0.016 nan 4.420 nan 0.000 0.266 1546 P C 0.949 178.182 177.300 -0.112 0.000 1.180 1546 P CA -0.006 62.932 63.100 -0.268 0.000 0.765 1546 P CB 0.461 31.976 31.700 -0.309 0.000 0.806 1547 E N 2.065 122.269 120.200 0.006 0.000 2.077 1547 E HA -0.227 4.123 4.350 0.000 0.000 0.193 1547 E C 1.797 178.396 176.600 -0.002 0.000 0.989 1547 E CA 1.438 57.845 56.400 0.013 0.000 0.800 1547 E CB -0.661 29.063 29.700 0.040 0.000 0.746 1547 E HN 0.675 nan 8.360 nan 0.000 0.452 1548 H N -0.043 118.960 119.070 -0.112 0.000 2.457 1548 H HA -0.033 4.523 4.556 0.000 0.000 0.297 1548 H C 2.013 177.250 175.328 -0.152 0.000 1.092 1548 H CA 1.066 57.045 56.048 -0.114 0.000 1.309 1548 H CB -0.711 28.982 29.762 -0.115 0.000 1.382 1548 H HN -0.031 nan 8.280 nan 0.000 0.535 1549 V N 1.245 120.705 119.914 -0.757 0.000 2.535 1549 V HA -0.134 3.986 4.120 0.000 0.000 0.246 1549 V C 2.586 178.458 176.094 -0.371 0.000 1.045 1549 V CA 1.574 63.452 62.300 -0.703 0.000 1.058 1549 V CB -0.278 31.033 31.823 -0.854 0.000 0.689 1549 V HN 0.315 nan 8.190 nan 0.000 0.461 1550 K N -0.571 119.704 120.400 -0.208 0.000 2.057 1550 K HA -0.152 4.168 4.320 0.000 0.000 0.206 1550 K C 2.201 178.806 176.600 0.009 0.000 1.050 1550 K CA 1.106 57.388 56.287 -0.008 0.000 0.935 1550 K CB -0.151 32.380 32.500 0.052 0.000 0.715 1550 K HN 0.313 nan 8.250 nan 0.000 0.439 1551 E N 0.787 120.970 120.200 -0.029 0.000 2.058 1551 E HA -0.187 4.164 4.350 0.000 0.000 0.194 1551 E C 1.948 178.538 176.600 -0.017 0.000 0.997 1551 E CA 1.383 57.775 56.400 -0.013 0.000 0.801 1551 E CB -0.165 29.527 29.700 -0.013 0.000 0.746 1551 E HN 0.297 nan 8.360 nan 0.000 0.450 1552 A N 0.703 123.495 122.820 -0.047 0.000 2.070 1552 A HA -0.025 4.295 4.320 0.000 0.000 0.220 1552 A C 2.248 179.845 177.584 0.023 0.000 1.159 1552 A CA 1.661 53.680 52.037 -0.030 0.000 0.656 1552 A CB -0.267 18.697 19.000 -0.059 0.000 0.800 1552 A HN 0.251 nan 8.150 nan 0.000 0.453 1553 A N -0.440 122.420 122.820 0.067 0.000 2.072 1553 A HA 0.028 4.348 4.320 0.000 0.000 0.216 1553 A C 2.185 179.831 177.584 0.103 0.000 1.156 1553 A CA 0.935 53.078 52.037 0.177 0.000 0.701 1553 A CB -0.239 19.007 19.000 0.410 0.000 0.816 1553 A HN 0.531 nan 8.150 nan 0.000 0.458 1554 R N -0.969 119.566 120.500 0.058 0.000 2.080 1554 R HA 0.041 4.381 4.340 0.000 0.000 0.222 1554 R C 2.369 178.662 176.300 -0.013 0.000 1.107 1554 R CA 1.157 57.271 56.100 0.023 0.000 0.980 1554 R CB -0.216 30.094 30.300 0.017 0.000 0.879 1554 R HN 0.441 nan 8.270 nan 0.000 0.439 1555 R N 0.805 121.289 120.500 -0.026 0.000 2.120 1555 R HA -0.091 4.249 4.340 0.000 0.000 0.234 1555 R C 2.074 178.304 176.300 -0.116 0.000 1.123 1555 R CA 1.426 57.486 56.100 -0.066 0.000 0.975 1555 R CB -0.130 30.130 30.300 -0.066 0.000 0.866 1555 R HN 0.221 nan 8.270 nan 0.000 0.446 1556 A N 0.578 123.337 122.820 -0.101 0.000 1.855 1556 A HA -0.096 4.224 4.320 0.000 0.000 0.215 1556 A C 2.102 179.612 177.584 -0.124 0.000 1.191 1556 A CA 1.016 52.946 52.037 -0.178 0.000 0.613 1556 A CB -0.536 18.436 19.000 -0.046 0.000 0.829 1556 A HN 0.303 nan 8.150 nan 0.000 0.442 1557 L N -0.636 120.557 121.223 -0.049 0.000 2.042 1557 L HA -0.226 4.115 4.340 0.000 0.000 0.210 1557 L C 3.098 179.933 176.870 -0.058 0.000 1.076 1557 L CA 1.136 55.953 54.840 -0.039 0.000 0.749 1557 L CB -0.610 41.440 42.059 -0.016 0.000 0.893 1557 L HN 0.463 nan 8.230 nan 0.000 0.432 1558 A N -0.463 122.319 122.820 -0.062 0.000 1.978 1558 A HA -0.227 4.093 4.320 0.000 0.000 0.220 1558 A C 1.981 179.517 177.584 -0.081 0.000 1.170 1558 A CA 1.448 53.447 52.037 -0.063 0.000 0.636 1558 A CB -0.358 18.608 19.000 -0.058 0.000 0.810 1558 A HN 0.548 nan 8.150 nan 0.000 0.448 1559 Q N -1.152 118.578 119.800 -0.118 0.000 2.222 1559 Q HA 0.328 4.668 4.340 0.000 0.000 0.206 1559 Q C 0.724 176.647 176.000 -0.127 0.000 0.877 1559 Q CA 0.137 55.858 55.803 -0.136 0.000 0.958 1559 Q CB 0.153 28.771 28.738 -0.201 0.000 1.075 1559 Q HN 0.759 nan 8.270 nan 0.000 0.483 1560 G N 2.290 111.031 108.800 -0.099 0.000 2.366 1560 G HA2 -0.271 3.689 3.960 0.000 0.000 0.299 1560 G HA3 -0.271 3.689 3.960 0.000 0.000 0.299 1560 G C 0.142 174.994 174.900 -0.080 0.000 1.020 1560 G CA 0.091 45.146 45.100 -0.075 0.000 1.026 1560 G HN 0.165 nan 8.290 nan 0.000 0.512 1561 K N 0.704 121.038 120.400 -0.111 0.000 3.226 1561 K HA 0.129 4.449 4.320 0.000 0.000 0.268 1561 K C 1.615 178.237 176.600 0.035 0.000 1.217 1561 K CA 0.728 56.957 56.287 -0.096 0.000 1.242 1561 K CB -0.011 32.288 32.500 -0.334 0.000 1.389 1561 K HN 0.612 nan 8.250 nan 0.000 0.406 1562 T N -2.356 112.206 114.554 0.015 0.000 3.214 1562 T HA 0.195 4.545 4.350 0.000 0.000 0.264 1562 T C 0.512 175.211 174.700 -0.002 0.000 1.012 1562 T CA -0.511 61.602 62.100 0.022 0.000 0.901 1562 T CB 0.368 69.230 68.868 -0.010 0.000 1.070 1562 T HN -0.115 nan 8.240 nan 0.000 0.561 1563 K N 0.590 121.004 120.400 0.022 0.000 2.520 1563 K HA 0.405 4.726 4.320 0.000 0.000 0.256 1563 K C -0.245 176.386 176.600 0.053 0.000 1.033 1563 K CA -0.725 55.549 56.287 -0.021 0.000 1.007 1563 K CB 0.295 32.805 32.500 0.016 0.000 1.330 1563 K HN 0.154 nan 8.250 nan 0.000 0.507 1564 Y N -0.201 120.130 120.300 0.051 0.000 2.330 1564 Y HA 0.283 4.834 4.550 0.000 0.000 0.341 1564 Y C 0.636 176.569 175.900 0.056 0.000 1.278 1564 Y CA -0.342 57.786 58.100 0.047 0.000 1.453 1564 Y CB 0.520 39.001 38.460 0.035 0.000 1.342 1564 Y HN 0.560 nan 8.280 nan 0.000 0.590 1565 A N 2.247 125.206 122.820 0.230 0.000 2.479 1565 A HA 0.744 5.064 4.320 0.000 0.000 0.296 1565 A C -2.801 174.821 177.584 0.062 0.000 1.121 1565 A CA -2.110 50.001 52.037 0.122 0.000 0.743 1565 A CB 0.923 19.974 19.000 0.085 0.000 1.323 1565 A HN 0.500 nan 8.150 nan 0.000 0.415 1566 P HA 0.109 nan 4.420 nan 0.000 0.267 1566 P C -1.815 175.483 177.300 -0.004 0.000 1.200 1566 P CA -0.754 62.349 63.100 0.006 0.000 0.772 1566 P CB 0.337 32.038 31.700 0.002 0.000 0.855 1567 P HA -0.163 nan 4.420 nan 0.000 0.222 1567 P C 0.679 177.981 177.300 0.003 0.000 1.147 1567 P CA 1.448 64.541 63.100 -0.012 0.000 0.790 1567 P CB -0.138 31.550 31.700 -0.020 0.000 0.780 1568 A N -0.689 122.131 122.820 0.001 0.000 2.275 1568 A HA 0.502 4.823 4.320 0.000 0.000 0.212 1568 A C 1.056 178.640 177.584 0.001 0.000 1.201 1568 A CA 0.609 52.649 52.037 0.006 0.000 0.843 1568 A CB -0.783 18.218 19.000 0.003 0.000 0.873 1568 A HN 0.386 nan 8.150 nan 0.000 0.492 1569 G N -0.147 108.648 108.800 -0.009 0.000 2.675 1569 G HA2 0.024 3.984 3.960 0.000 0.000 0.686 1569 G HA3 0.024 3.984 3.960 0.000 0.000 0.686 1569 G C -0.077 174.782 174.900 -0.069 0.000 1.215 1569 G CA -0.514 44.564 45.100 -0.035 0.000 0.777 1569 G HN 1.462 nan 8.290 nan 0.000 0.638 1570 I N -0.101 120.391 120.570 -0.129 0.000 2.845 1570 I HA 0.306 4.476 4.170 0.000 0.000 0.296 1570 I C -0.994 175.028 176.117 -0.158 0.000 1.216 1570 I CA -1.098 60.099 61.300 -0.171 0.000 1.438 1570 I CB 0.694 38.472 38.000 -0.369 0.000 1.342 1570 I HN 0.251 nan 8.210 nan 0.000 0.577 1571 P HA -0.107 nan 4.420 nan 0.000 0.223 1571 P C 0.812 178.051 177.300 -0.101 0.000 1.144 1571 P CA 1.322 64.377 63.100 -0.074 0.000 0.783 1571 P CB 0.239 31.920 31.700 -0.032 0.000 0.771 1572 E N -0.797 119.303 120.200 -0.167 0.000 2.042 1572 E HA -0.024 4.326 4.350 0.000 0.000 0.189 1572 E C 1.920 178.393 176.600 -0.212 0.000 0.974 1572 E CA 0.543 56.836 56.400 -0.177 0.000 0.806 1572 E CB -1.016 28.547 29.700 -0.229 0.000 0.769 1572 E HN 0.104 nan 8.360 nan 0.000 0.451 1573 L N 0.683 121.726 121.223 -0.300 0.000 2.127 1573 L HA -0.190 4.151 4.340 0.000 0.000 0.211 1573 L C 2.392 179.134 176.870 -0.213 0.000 1.089 1573 L CA 1.269 55.940 54.840 -0.283 0.000 0.757 1573 L CB -0.055 41.820 42.059 -0.306 0.000 0.899 1573 L HN 0.081 nan 8.230 nan 0.000 0.434 1574 R N -0.157 120.247 120.500 -0.159 0.000 2.115 1574 R HA -0.204 4.136 4.340 0.000 0.000 0.230 1574 R C 2.098 178.351 176.300 -0.079 0.000 1.111 1574 R CA 1.446 57.489 56.100 -0.095 0.000 0.976 1574 R CB 0.013 30.274 30.300 -0.065 0.000 0.870 1574 R HN 0.381 nan 8.270 nan 0.000 0.445 1575 E N -1.222 118.924 120.200 -0.091 0.000 2.250 1575 E HA 0.005 4.355 4.350 0.000 0.000 0.192 1575 E C 1.531 178.080 176.600 -0.085 0.000 0.986 1575 E CA 0.642 57.003 56.400 -0.066 0.000 0.849 1575 E CB 0.160 29.828 29.700 -0.053 0.000 0.797 1575 E HN 0.417 nan 8.360 nan 0.000 0.482 1576 A N 0.401 123.143 122.820 -0.130 0.000 2.014 1576 A HA -0.081 4.239 4.320 0.000 0.000 0.218 1576 A C 1.888 179.347 177.584 -0.209 0.000 1.163 1576 A CA 0.596 52.539 52.037 -0.157 0.000 0.652 1576 A CB -0.183 18.704 19.000 -0.189 0.000 0.808 1576 A HN 0.204 nan 8.150 nan 0.000 0.449 1577 L N -0.590 120.494 121.223 -0.231 0.000 2.141 1577 L HA 0.002 4.342 4.340 0.000 0.000 0.209 1577 L C 2.717 179.515 176.870 -0.120 0.000 1.094 1577 L CA 1.647 56.308 54.840 -0.299 0.000 0.763 1577 L CB -0.706 41.229 42.059 -0.207 0.000 0.908 1577 L HN 0.378 nan 8.230 nan 0.000 0.437 1578 A N -1.623 121.184 122.820 -0.022 0.000 2.167 1578 A HA -0.057 4.264 4.320 0.000 0.000 0.214 1578 A C 2.021 179.622 177.584 0.029 0.000 1.151 1578 A CA 0.891 52.964 52.037 0.059 0.000 0.735 1578 A CB -0.223 18.800 19.000 0.037 0.000 0.802 1578 A HN 0.418 nan 8.150 nan 0.000 0.467 1579 E N -0.691 119.485 120.200 -0.040 0.000 2.389 1579 E HA -0.013 4.338 4.350 0.000 0.000 0.199 1579 E C 1.675 178.239 176.600 -0.061 0.000 0.978 1579 E CA 0.060 56.438 56.400 -0.036 0.000 0.912 1579 E CB 0.030 29.700 29.700 -0.049 0.000 0.907 1579 E HN 0.568 nan 8.360 nan 0.000 0.494 1580 K N 1.046 121.349 120.400 -0.161 0.000 1.980 1580 K HA -0.039 4.281 4.320 0.000 0.000 0.208 1580 K C 1.904 178.420 176.600 -0.139 0.000 1.043 1580 K CA 0.853 57.006 56.287 -0.224 0.000 0.938 1580 K CB -0.329 31.890 32.500 -0.469 0.000 0.724 1580 K HN 0.031 nan 8.250 nan 0.000 0.438 1581 F N 1.196 121.156 119.950 0.016 0.000 2.287 1581 F HA -0.167 4.361 4.527 0.000 0.000 0.301 1581 F C 2.803 178.611 175.800 0.012 0.000 1.069 1581 F CA 0.711 58.726 58.000 0.026 0.000 1.372 1581 F CB 0.004 39.019 39.000 0.025 0.000 1.056 1581 F HN 0.121 nan 8.300 nan 0.000 0.523 1582 R N 0.201 120.793 120.500 0.153 0.000 2.048 1582 R HA -0.021 4.320 4.340 0.000 0.000 0.221 1582 R C 2.449 178.787 176.300 0.063 0.000 1.174 1582 R CA 0.741 56.897 56.100 0.094 0.000 0.971 1582 R CB -0.376 29.962 30.300 0.063 0.000 0.863 1582 R HN 0.170 nan 8.270 nan 0.000 0.439 1583 R N 1.051 121.575 120.500 0.039 0.000 2.070 1583 R HA -0.137 4.203 4.340 0.000 0.000 0.232 1583 R C 1.866 178.192 176.300 0.044 0.000 1.138 1583 R CA 1.839 57.958 56.100 0.031 0.000 0.936 1583 R CB -0.098 30.210 30.300 0.013 0.000 0.839 1583 R HN 0.289 nan 8.270 nan 0.000 0.429 1584 E N 0.208 120.436 120.200 0.046 0.000 2.004 1584 E HA -0.103 4.247 4.350 0.000 0.000 0.192 1584 E C 1.638 178.285 176.600 0.079 0.000 0.987 1584 E CA 1.010 57.446 56.400 0.061 0.000 0.822 1584 E CB -0.212 29.529 29.700 0.068 0.000 0.779 1584 E HN 0.367 nan 8.360 nan 0.000 0.458 1585 N N 0.002 118.774 118.700 0.119 0.000 2.609 1585 N HA -0.043 4.697 4.740 0.000 0.000 0.190 1585 N C 1.019 176.572 175.510 0.072 0.000 1.157 1585 N CA 1.009 54.142 53.050 0.140 0.000 0.918 1585 N CB 0.104 38.751 38.487 0.268 0.000 0.978 1585 N HN 0.437 nan 8.380 nan 0.000 0.448 1586 G N -0.622 108.217 108.800 0.065 0.000 2.228 1586 G HA2 -0.310 3.650 3.960 0.000 0.000 0.270 1586 G HA3 -0.310 3.650 3.960 0.000 0.000 0.270 1586 G C 0.115 175.031 174.900 0.027 0.000 0.976 1586 G CA 0.302 45.424 45.100 0.037 0.000 0.636 1586 G HN 0.213 nan 8.290 nan 0.000 0.542 1587 L N 0.632 121.881 121.223 0.043 0.000 2.476 1587 L HA 0.566 4.906 4.340 0.000 0.000 0.264 1587 L C 0.987 177.885 176.870 0.047 0.000 1.224 1587 L CA 0.353 55.210 54.840 0.028 0.000 0.821 1587 L CB 1.147 43.228 42.059 0.037 0.000 1.101 1587 L HN 0.076 nan 8.230 nan 0.000 0.488 1588 S N 0.368 116.084 115.700 0.028 0.000 2.259 1588 S HA 0.494 4.964 4.470 0.000 0.000 0.181 1588 S C -0.574 174.042 174.600 0.026 0.000 1.589 1588 S CA -0.583 57.636 58.200 0.032 0.000 1.234 1588 S CB 0.655 63.868 63.200 0.023 0.000 1.119 1588 S HN 0.405 nan 8.310 nan 0.000 0.458 1589 V N 0.672 120.612 119.914 0.043 0.000 2.815 1589 V HA 0.884 5.004 4.120 0.000 0.000 0.314 1589 V C 0.090 176.209 176.094 0.042 0.000 1.064 1589 V CA -0.849 61.473 62.300 0.036 0.000 0.952 1589 V CB 1.527 33.375 31.823 0.041 0.000 1.020 1589 V HN 0.558 nan 8.190 nan 0.000 0.439 1590 T N 0.609 115.180 114.554 0.029 0.000 2.944 1590 T HA 0.539 4.890 4.350 0.000 0.000 0.284 1590 T C -2.076 172.641 174.700 0.028 0.000 1.010 1590 T CA -1.907 60.208 62.100 0.024 0.000 1.025 1590 T CB 1.389 70.266 68.868 0.014 0.000 1.079 1590 T HN 0.505 nan 8.240 nan 0.000 0.516 1591 P HA -0.112 nan 4.420 nan 0.000 0.218 1591 P C 1.437 178.747 177.300 0.016 0.000 1.146 1591 P CA 0.846 63.956 63.100 0.018 0.000 0.813 1591 P CB 0.078 31.779 31.700 0.001 0.000 0.778 1592 E N -0.117 120.090 120.200 0.011 0.000 2.265 1592 E HA -0.156 4.194 4.350 0.000 0.000 0.196 1592 E C 0.883 177.487 176.600 0.007 0.000 0.996 1592 E CA 0.959 57.362 56.400 0.006 0.000 0.832 1592 E CB -0.325 29.378 29.700 0.003 0.000 0.756 1592 E HN 0.557 nan 8.360 nan 0.000 0.491 1593 E N 0.459 120.665 120.200 0.011 0.000 2.423 1593 E HA 0.115 4.466 4.350 0.000 0.000 0.198 1593 E C -0.220 176.389 176.600 0.015 0.000 1.038 1593 E CA 0.004 56.405 56.400 0.002 0.000 1.011 1593 E CB 0.567 30.263 29.700 -0.005 0.000 1.118 1593 E HN -0.082 nan 8.360 nan 0.000 0.451 1594 T N 1.295 115.873 114.554 0.041 0.000 2.924 1594 T HA 0.652 5.002 4.350 0.000 0.000 0.291 1594 T C -0.585 174.156 174.700 0.068 0.000 1.045 1594 T CA -0.593 61.560 62.100 0.089 0.000 1.015 1594 T CB 2.083 71.014 68.868 0.105 0.000 1.103 1594 T HN 0.117 nan 8.240 nan 0.000 0.496 1595 I N 1.168 121.802 120.570 0.106 0.000 2.743 1595 I HA 0.499 4.670 4.170 0.000 0.000 0.292 1595 I C -1.762 174.432 176.117 0.128 0.000 1.343 1595 I CA -0.980 60.370 61.300 0.083 0.000 1.038 1595 I CB 1.479 39.510 38.000 0.052 0.000 1.311 1595 I HN 0.429 nan 8.210 nan 0.000 0.426 1596 V N 5.117 125.087 119.914 0.093 0.000 2.407 1596 V HA 0.673 4.793 4.120 0.000 0.000 0.278 1596 V C 0.376 176.528 176.094 0.096 0.000 1.037 1596 V CA -0.198 62.172 62.300 0.117 0.000 0.900 1596 V CB 0.925 32.782 31.823 0.058 0.000 0.983 1596 V HN 0.822 nan 8.190 nan 0.000 0.459 1597 T N 0.624 115.244 114.554 0.111 0.000 2.907 1597 T HA 0.557 4.907 4.350 0.000 0.000 0.290 1597 T C -0.321 174.423 174.700 0.074 0.000 1.066 1597 T CA -0.739 61.411 62.100 0.082 0.000 1.012 1597 T CB 1.849 70.766 68.868 0.081 0.000 1.184 1597 T HN 0.300 nan 8.240 nan 0.000 0.522 1598 V N 2.606 122.557 119.914 0.061 0.000 2.054 1598 V HA 0.533 4.653 4.120 0.000 0.000 0.243 1598 V C 1.439 177.557 176.094 0.040 0.000 1.480 1598 V CA 0.831 63.161 62.300 0.050 0.000 1.440 1598 V CB -1.430 30.412 31.823 0.032 0.000 1.489 1598 V HN 1.481 nan 8.190 nan 0.000 0.502 1599 G N 3.414 112.237 108.800 0.038 0.000 2.710 1599 G HA2 0.030 3.991 3.960 0.000 0.000 0.668 1599 G HA3 0.030 3.991 3.960 0.000 0.000 0.668 1599 G C 0.655 175.547 174.900 -0.012 0.000 1.320 1599 G CA -0.255 44.849 45.100 0.008 0.000 0.860 1599 G HN 0.847 nan 8.290 nan 0.000 0.538 1600 G N -0.692 108.076 108.800 -0.053 0.000 2.421 1600 G HA2 0.142 4.102 3.960 0.000 0.000 0.217 1600 G HA3 0.142 4.102 3.960 0.000 0.000 0.217 1600 G C 2.110 177.043 174.900 0.057 0.000 1.143 1600 G CA 2.073 47.143 45.100 -0.051 0.000 0.784 1600 G HN 1.416 nan 8.290 nan 0.000 0.541 1601 S N 0.451 116.199 115.700 0.080 0.000 2.365 1601 S HA -0.186 4.284 4.470 0.000 0.000 0.225 1601 S C 2.264 176.981 174.600 0.194 0.000 1.039 1601 S CA 1.276 59.583 58.200 0.179 0.000 1.033 1601 S CB -0.326 62.955 63.200 0.134 0.000 0.887 1601 S HN 0.386 nan 8.310 nan 0.000 0.447 1602 Q N 0.553 120.429 119.800 0.125 0.000 2.084 1602 Q HA -0.048 4.293 4.340 0.000 0.000 0.202 1602 Q C 2.517 178.630 176.000 0.188 0.000 0.978 1602 Q CA 1.396 57.290 55.803 0.151 0.000 0.844 1602 Q CB -0.407 28.383 28.738 0.087 0.000 0.898 1602 Q HN 0.600 nan 8.270 nan 0.000 0.426 1603 A N 0.316 123.215 122.820 0.132 0.000 2.070 1603 A HA -0.134 4.187 4.320 0.000 0.000 0.220 1603 A C 1.999 179.647 177.584 0.107 0.000 1.159 1603 A CA 0.976 53.073 52.037 0.100 0.000 0.656 1603 A CB -0.355 18.684 19.000 0.066 0.000 0.800 1603 A HN 0.294 nan 8.150 nan 0.000 0.453 1604 L N -2.979 118.372 121.223 0.213 0.000 2.145 1604 L HA 0.066 4.406 4.340 0.000 0.000 0.201 1604 L C 2.326 179.463 176.870 0.446 0.000 1.075 1604 L CA 0.867 55.890 54.840 0.305 0.000 0.773 1604 L CB -0.497 41.893 42.059 0.551 0.000 0.936 1604 L HN 0.428 nan 8.230 nan 0.000 0.451 1605 F N 1.437 121.563 119.950 0.294 0.000 2.161 1605 F HA -0.249 4.278 4.527 0.000 0.000 0.300 1605 F C 2.175 178.086 175.800 0.186 0.000 1.089 1605 F CA 1.664 59.811 58.000 0.245 0.000 1.282 1605 F CB -0.091 38.976 39.000 0.111 0.000 1.010 1605 F HN 0.122 nan 8.300 nan 0.000 0.485 1606 N N 0.234 119.080 118.700 0.244 0.000 2.250 1606 N HA -0.104 4.636 4.740 0.000 0.000 0.181 1606 N C 1.786 177.286 175.510 -0.018 0.000 1.017 1606 N CA 1.205 54.322 53.050 0.110 0.000 0.866 1606 N CB -0.639 37.919 38.487 0.119 0.000 0.985 1606 N HN 0.376 nan 8.380 nan 0.000 0.429 1607 L N -0.183 121.005 121.223 -0.059 0.000 2.042 1607 L HA -0.032 4.309 4.340 0.000 0.000 0.210 1607 L C 1.527 178.209 176.870 -0.313 0.000 1.076 1607 L CA 1.684 56.382 54.840 -0.238 0.000 0.749 1607 L CB -0.713 41.129 42.059 -0.362 0.000 0.893 1607 L HN 0.038 nan 8.230 nan 0.000 0.432 1608 F N -0.722 119.168 119.950 -0.100 0.000 2.367 1608 F HA -0.056 4.471 4.527 0.000 0.000 0.298 1608 F C 2.528 178.238 175.800 -0.150 0.000 1.094 1608 F CA 0.870 58.800 58.000 -0.117 0.000 1.409 1608 F CB -0.314 38.617 39.000 -0.115 0.000 1.064 1608 F HN 0.159 nan 8.300 nan 0.000 0.528 1609 Q N -0.229 119.543 119.800 -0.047 0.000 2.311 1609 Q HA 0.043 4.383 4.340 0.000 0.000 0.203 1609 Q C 2.257 178.225 176.000 -0.052 0.000 0.954 1609 Q CA 1.068 56.819 55.803 -0.087 0.000 0.885 1609 Q CB -0.171 28.475 28.738 -0.154 0.000 0.963 1609 Q HN 0.419 nan 8.270 nan 0.000 0.471 1610 A N 0.746 123.526 122.820 -0.068 0.000 2.178 1610 A HA 0.065 4.385 4.320 0.000 0.000 0.211 1610 A C 1.728 179.266 177.584 -0.077 0.000 1.157 1610 A CA 0.330 52.325 52.037 -0.070 0.000 0.780 1610 A CB -0.083 18.863 19.000 -0.089 0.000 0.828 1610 A HN 0.416 nan 8.150 nan 0.000 0.476 1611 I N -4.758 115.763 120.570 -0.081 0.000 4.338 1611 I HA 0.427 4.597 4.170 0.000 0.000 0.329 1611 I C -0.483 175.658 176.117 0.040 0.000 1.378 1611 I CA -0.188 61.087 61.300 -0.041 0.000 1.170 1611 I CB 0.417 38.318 38.000 -0.166 0.000 1.206 1611 I HN -0.121 nan 8.210 nan 0.000 0.432 1612 L N 3.119 124.363 121.223 0.034 0.000 2.276 1612 L HA 0.520 4.860 4.340 0.000 0.000 0.286 1612 L C -0.861 176.023 176.870 0.023 0.000 1.024 1612 L CA -0.295 54.576 54.840 0.052 0.000 0.826 1612 L CB 1.004 43.111 42.059 0.079 0.000 1.211 1612 L HN 0.120 nan 8.230 nan 0.000 0.422 1613 D N 4.564 124.979 120.400 0.025 0.000 2.229 1613 D HA 0.338 4.978 4.640 0.000 0.000 0.249 1613 D C -2.296 174.004 176.300 -0.000 0.000 1.027 1613 D CA -1.478 52.527 54.000 0.009 0.000 0.923 1613 D CB 1.685 42.494 40.800 0.015 0.000 1.174 1613 D HN 0.143 nan 8.370 nan 0.000 0.443 1614 P HA 0.083 nan 4.420 nan 0.000 0.265 1614 P C 0.731 178.022 177.300 -0.015 0.000 1.187 1614 P CA 0.757 63.843 63.100 -0.023 0.000 0.766 1614 P CB 0.500 32.182 31.700 -0.030 0.000 0.820 1615 G N 1.590 110.379 108.800 -0.019 0.000 2.184 1615 G HA2 -0.242 3.718 3.960 0.000 0.000 0.264 1615 G HA3 -0.242 3.718 3.960 0.000 0.000 0.264 1615 G C -0.046 174.848 174.900 -0.009 0.000 0.975 1615 G CA -0.013 45.077 45.100 -0.015 0.000 0.642 1615 G HN 0.516 nan 8.290 nan 0.000 0.536 1616 D N 1.034 121.433 120.400 -0.001 0.000 2.372 1616 D HA 0.491 5.131 4.640 0.000 0.000 0.243 1616 D C 0.666 176.964 176.300 -0.003 0.000 1.121 1616 D CA 0.296 54.300 54.000 0.008 0.000 0.898 1616 D CB 0.585 41.404 40.800 0.031 0.000 1.202 1616 D HN 0.449 nan 8.370 nan 0.000 0.428 1617 E N 0.356 120.547 120.200 -0.015 0.000 2.231 1617 E HA 0.499 4.849 4.350 0.000 0.000 0.277 1617 E C -0.944 175.630 176.600 -0.043 0.000 0.999 1617 E CA -0.855 55.523 56.400 -0.037 0.000 0.827 1617 E CB 1.808 31.475 29.700 -0.056 0.000 1.101 1617 E HN 0.098 nan 8.360 nan 0.000 0.393 1618 V N 3.617 123.505 119.914 -0.042 0.000 2.577 1618 V HA 0.349 4.469 4.120 0.000 0.000 0.303 1618 V C -0.247 175.811 176.094 -0.059 0.000 1.042 1618 V CA -0.736 61.547 62.300 -0.029 0.000 0.872 1618 V CB 1.417 33.268 31.823 0.046 0.000 0.998 1618 V HN 0.602 nan 8.190 nan 0.000 0.423 1619 I N 5.433 125.953 120.570 -0.083 0.000 2.312 1619 I HA 0.401 4.571 4.170 0.000 0.000 0.291 1619 I C 0.080 176.181 176.117 -0.026 0.000 1.031 1619 I CA -0.509 60.754 61.300 -0.061 0.000 1.293 1619 I CB 1.443 39.392 38.000 -0.086 0.000 1.403 1619 I HN 0.590 nan 8.210 nan 0.000 0.484 1620 V N 5.740 125.648 119.914 -0.011 0.000 2.630 1620 V HA 0.593 4.713 4.120 0.000 0.000 0.305 1620 V C -0.346 175.838 176.094 0.150 0.000 1.046 1620 V CA -0.862 61.446 62.300 0.012 0.000 0.934 1620 V CB 1.742 33.495 31.823 -0.117 0.000 1.003 1620 V HN 0.481 nan 8.190 nan 0.000 0.451 1621 L N 4.307 125.651 121.223 0.200 0.000 2.287 1621 L HA 0.601 4.941 4.340 0.000 0.000 0.287 1621 L C 0.576 177.611 176.870 0.276 0.000 1.022 1621 L CA -0.382 54.586 54.840 0.213 0.000 0.814 1621 L CB 1.586 43.757 42.059 0.188 0.000 1.217 1621 L HN 0.939 nan 8.230 nan 0.000 0.420 1622 S N 2.704 118.516 115.700 0.187 0.000 2.586 1622 S HA 0.570 5.040 4.470 0.000 0.000 0.274 1622 S C -2.586 172.018 174.600 0.007 0.000 1.281 1622 S CA -1.518 56.645 58.200 -0.062 0.000 1.035 1622 S CB 1.116 64.198 63.200 -0.198 0.000 0.962 1622 S HN 0.307 nan 8.310 nan 0.000 0.512 1623 P HA 0.304 nan 4.420 nan 0.000 0.276 1623 P C -1.079 176.148 177.300 -0.123 0.000 1.230 1623 P CA -0.192 62.741 63.100 -0.279 0.000 0.776 1623 P CB 0.072 31.611 31.700 -0.269 0.000 0.888 1624 Y N 0.037 120.434 120.300 0.161 0.000 2.598 1624 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 1624 Y C -0.654 175.435 175.900 0.315 0.000 1.038 1624 Y CA -2.490 55.766 58.100 0.261 0.000 1.100 1624 Y CB 0.088 38.693 38.460 0.241 0.000 1.281 1624 Y HN 0.375 nan 8.280 nan 0.000 0.488 1625 W N 3.157 124.738 121.300 0.468 0.000 2.308 1625 W HA 0.309 4.969 4.660 0.000 0.000 0.324 1625 W C 0.795 177.262 176.519 -0.087 0.000 1.387 1625 W CA -0.729 56.694 57.345 0.130 0.000 1.250 1625 W CB 0.759 30.173 29.460 -0.077 0.000 1.257 1625 W HN 0.619 nan 8.180 nan 0.000 0.554 1626 V N 4.734 124.110 119.914 -0.897 0.000 2.402 1626 V HA -0.441 3.679 4.120 0.000 0.000 0.264 1626 V C 2.172 177.683 176.094 -0.971 0.000 1.112 1626 V CA 2.804 64.507 62.300 -0.995 0.000 1.110 1626 V CB -0.869 30.333 31.823 -1.034 0.000 0.689 1626 V HN 0.799 nan 8.190 nan 0.000 0.459 1627 S N -2.405 112.335 115.700 -1.601 0.000 2.356 1627 S HA -0.086 4.384 4.470 0.000 0.000 0.219 1627 S C 1.574 175.716 174.600 -0.763 0.000 1.036 1627 S CA 1.182 58.640 58.200 -1.237 0.000 0.965 1627 S CB -0.386 61.819 63.200 -1.659 0.000 0.864 1627 S HN 0.678 nan 8.310 nan 0.000 0.471 1628 Y N 1.639 121.558 120.300 -0.635 0.000 2.136 1628 Y HA -0.278 4.272 4.550 0.000 0.000 0.271 1628 Y C -0.555 175.008 175.900 -0.562 0.000 1.252 1628 Y CA 1.800 59.626 58.100 -0.458 0.000 1.117 1628 Y CB -2.053 36.245 38.460 -0.271 0.000 0.932 1628 Y HN 0.360 nan 8.280 nan 0.000 0.512 1629 P HA -0.116 nan 4.420 nan 0.000 0.215 1629 P C 1.214 178.332 177.300 -0.303 0.000 1.157 1629 P CA 1.612 64.477 63.100 -0.392 0.000 0.856 1629 P CB 0.007 31.442 31.700 -0.443 0.000 0.786 1630 E N -0.746 119.275 120.200 -0.297 0.000 2.118 1630 E HA -0.174 4.177 4.350 0.000 0.000 0.195 1630 E C 1.933 178.438 176.600 -0.158 0.000 0.992 1630 E CA 1.316 57.594 56.400 -0.204 0.000 0.804 1630 E CB -0.415 29.141 29.700 -0.240 0.000 0.741 1630 E HN 0.326 nan 8.360 nan 0.000 0.458 1631 M N -0.140 119.298 119.600 -0.271 0.000 2.134 1631 M HA -0.110 4.370 4.480 0.000 0.000 0.262 1631 M C 2.491 178.566 176.300 -0.376 0.000 1.076 1631 M CA 0.830 55.971 55.300 -0.265 0.000 1.143 1631 M CB -0.246 32.133 32.600 -0.368 0.000 1.346 1631 M HN -0.072 nan 8.290 nan 0.000 0.421 1632 V N 0.736 120.297 119.914 -0.587 0.000 2.568 1632 V HA -0.269 3.851 4.120 0.000 0.000 0.253 1632 V C 2.318 178.302 176.094 -0.183 0.000 1.072 1632 V CA 1.831 63.866 62.300 -0.443 0.000 1.084 1632 V CB -0.677 30.903 31.823 -0.405 0.000 0.676 1632 V HN 0.422 nan 8.190 nan 0.000 0.469 1633 R N -1.851 118.568 120.500 -0.135 0.000 2.112 1633 R HA 0.021 4.361 4.340 0.000 0.000 0.216 1633 R C 2.109 178.411 176.300 0.004 0.000 1.080 1633 R CA 0.941 57.005 56.100 -0.059 0.000 0.996 1633 R CB -0.280 29.990 30.300 -0.050 0.000 0.902 1633 R HN 0.470 nan 8.270 nan 0.000 0.449 1634 F N 1.289 121.171 119.950 -0.113 0.000 2.451 1634 F HA -0.035 4.493 4.527 0.000 0.000 0.299 1634 F C 1.857 177.605 175.800 -0.086 0.000 1.101 1634 F CA 0.877 58.838 58.000 -0.064 0.000 1.436 1634 F CB 0.170 39.171 39.000 0.002 0.000 1.074 1634 F HN -0.036 nan 8.300 nan 0.000 0.553 1635 A N -1.036 121.782 122.820 -0.004 0.000 2.267 1635 A HA 0.476 4.796 4.320 0.000 0.000 0.213 1635 A C 1.889 179.432 177.584 -0.068 0.000 1.192 1635 A CA 0.754 52.757 52.037 -0.057 0.000 0.851 1635 A CB -0.651 18.327 19.000 -0.036 0.000 0.881 1635 A HN 0.675 nan 8.150 nan 0.000 0.494 1636 G N -1.741 107.015 108.800 -0.074 0.000 2.238 1636 G HA2 -0.028 3.932 3.960 0.000 0.000 0.217 1636 G HA3 -0.028 3.932 3.960 0.000 0.000 0.217 1636 G C 0.873 175.747 174.900 -0.043 0.000 0.996 1636 G CA 0.132 45.193 45.100 -0.065 0.000 0.632 1636 G HN 1.325 nan 8.290 nan 0.000 0.503 1637 G N -0.476 108.304 108.800 -0.034 0.000 2.683 1637 G HA2 0.619 4.579 3.960 0.000 0.000 0.260 1637 G HA3 0.619 4.579 3.960 0.000 0.000 0.260 1637 G C 0.290 175.164 174.900 -0.042 0.000 1.238 1637 G CA 0.728 45.813 45.100 -0.025 0.000 0.934 1637 G HN 1.676 nan 8.290 nan 0.000 0.534 1638 V N -2.117 117.773 119.914 -0.039 0.000 2.735 1638 V HA 0.682 4.802 4.120 0.000 0.000 0.310 1638 V C -0.263 175.798 176.094 -0.054 0.000 1.061 1638 V CA -1.051 61.222 62.300 -0.045 0.000 0.913 1638 V CB 1.781 33.584 31.823 -0.033 0.000 1.005 1638 V HN 0.534 nan 8.190 nan 0.000 0.428 1639 V N 5.228 125.104 119.914 -0.063 0.000 2.389 1639 V HA 0.332 4.452 4.120 0.000 0.000 0.264 1639 V C 0.171 176.243 176.094 -0.036 0.000 1.049 1639 V CA -0.190 62.066 62.300 -0.072 0.000 0.932 1639 V CB 1.145 32.903 31.823 -0.109 0.000 1.011 1639 V HN 0.756 nan 8.190 nan 0.000 0.475 1640 V N 6.452 126.346 119.914 -0.034 0.000 2.311 1640 V HA 0.319 4.440 4.120 0.000 0.000 0.275 1640 V C 0.238 176.336 176.094 0.007 0.000 1.022 1640 V CA -0.627 61.663 62.300 -0.016 0.000 0.830 1640 V CB 1.228 33.028 31.823 -0.039 0.000 1.012 1640 V HN 1.020 nan 8.190 nan 0.000 0.452 1641 E N 4.537 124.768 120.200 0.051 0.000 2.156 1641 E HA 0.648 4.999 4.350 0.000 0.000 0.279 1641 E C -1.139 175.518 176.600 0.094 0.000 0.965 1641 E CA -0.754 55.709 56.400 0.105 0.000 0.789 1641 E CB 2.194 32.025 29.700 0.218 0.000 1.098 1641 E HN 0.293 nan 8.360 nan 0.000 0.397 1642 V N 3.504 123.474 119.914 0.093 0.000 2.439 1642 V HA 0.117 4.237 4.120 0.000 0.000 0.282 1642 V C 0.193 176.343 176.094 0.094 0.000 1.039 1642 V CA -0.540 61.804 62.300 0.074 0.000 0.913 1642 V CB 1.194 33.050 31.823 0.056 0.000 0.983 1642 V HN 0.738 nan 8.190 nan 0.000 0.460 1643 E N 2.204 122.451 120.200 0.078 0.000 2.374 1643 E HA 0.467 4.817 4.350 0.000 0.000 0.260 1643 E C -0.046 176.601 176.600 0.078 0.000 1.101 1643 E CA -0.185 56.264 56.400 0.082 0.000 0.907 1643 E CB 1.189 30.930 29.700 0.069 0.000 1.014 1643 E HN 0.826 nan 8.360 nan 0.000 0.427 1644 T N -0.491 114.127 114.554 0.107 0.000 2.921 1644 T HA 0.516 4.867 4.350 0.000 0.000 0.297 1644 T C -0.711 174.043 174.700 0.091 0.000 1.013 1644 T CA -0.882 61.282 62.100 0.106 0.000 0.990 1644 T CB 0.451 69.423 68.868 0.173 0.000 1.023 1644 T HN 0.223 nan 8.240 nan 0.000 0.447 1645 L N 5.308 126.495 121.223 -0.060 0.000 2.307 1645 L HA 0.421 4.762 4.340 0.000 0.000 0.282 1645 L C -1.136 175.353 176.870 -0.634 0.000 1.051 1645 L CA -2.563 52.139 54.840 -0.229 0.000 0.804 1645 L CB 1.613 43.589 42.059 -0.138 0.000 1.197 1645 L HN 0.471 nan 8.230 nan 0.000 0.431 1646 P HA -0.201 nan 4.420 nan 0.000 0.218 1646 P C 0.758 177.753 177.300 -0.508 0.000 1.148 1646 P CA 1.323 63.724 63.100 -1.167 0.000 0.822 1646 P CB 0.163 31.548 31.700 -0.526 0.000 0.784 1647 E N 0.875 120.897 120.200 -0.296 0.000 2.274 1647 E HA -0.151 4.199 4.350 0.000 0.000 0.194 1647 E C 1.241 177.753 176.600 -0.147 0.000 0.996 1647 E CA 0.952 57.255 56.400 -0.162 0.000 0.840 1647 E CB -0.684 28.955 29.700 -0.102 0.000 0.772 1647 E HN 0.458 nan 8.360 nan 0.000 0.491 1648 E N 0.394 120.482 120.200 -0.187 0.000 2.474 1648 E HA 0.188 4.538 4.350 0.000 0.000 0.195 1648 E C 0.533 177.067 176.600 -0.110 0.000 1.039 1648 E CA 0.204 56.529 56.400 -0.125 0.000 0.881 1648 E CB 0.487 30.122 29.700 -0.107 0.000 0.970 1648 E HN 0.401 nan 8.360 nan 0.000 0.486 1649 G N 1.001 109.695 108.800 -0.178 0.000 2.176 1649 G HA2 -0.339 3.622 3.960 0.000 0.000 0.252 1649 G HA3 -0.339 3.622 3.960 0.000 0.000 0.252 1649 G C 0.457 175.435 174.900 0.130 0.000 1.024 1649 G CA 0.163 45.240 45.100 -0.038 0.000 0.755 1649 G HN 0.419 nan 8.290 nan 0.000 0.507 1650 F N -3.764 116.201 119.950 0.025 0.000 2.945 1650 F HA -0.305 4.223 4.527 0.000 0.000 0.334 1650 F C 1.572 177.369 175.800 -0.005 0.000 0.683 1650 F CA 1.399 59.419 58.000 0.033 0.000 1.044 1650 F CB -1.538 37.506 39.000 0.073 0.000 1.478 1650 F HN 0.736 nan 8.300 nan 0.000 0.324 1651 V N 3.671 123.618 119.914 0.055 0.000 2.572 1651 V HA 0.280 4.401 4.120 0.000 0.000 0.291 1651 V C -1.237 174.696 176.094 -0.269 0.000 1.039 1651 V CA -1.410 60.725 62.300 -0.275 0.000 1.055 1651 V CB 0.922 32.633 31.823 -0.187 0.000 0.969 1651 V HN -0.020 nan 8.190 nan 0.000 0.482 1652 P HA 0.166 nan 4.420 nan 0.000 0.272 1652 P C -1.298 175.917 177.300 -0.143 0.000 1.223 1652 P CA -0.087 62.892 63.100 -0.201 0.000 0.784 1652 P CB 0.843 32.426 31.700 -0.195 0.000 0.923 1653 D N 3.145 123.504 120.400 -0.070 0.000 2.441 1653 D HA 0.191 4.832 4.640 0.000 0.000 0.231 1653 D C -1.483 174.806 176.300 -0.019 0.000 1.073 1653 D CA -2.662 51.310 54.000 -0.047 0.000 0.850 1653 D CB 0.751 41.529 40.800 -0.035 0.000 1.062 1653 D HN 0.083 nan 8.370 nan 0.000 0.524 1654 P HA -0.195 nan 4.420 nan 0.000 0.223 1654 P C 0.649 177.967 177.300 0.030 0.000 1.140 1654 P CA 0.899 64.010 63.100 0.019 0.000 0.783 1654 P CB 0.537 32.247 31.700 0.018 0.000 0.759 1655 E N -0.400 119.809 120.200 0.015 0.000 2.102 1655 E HA 0.017 4.367 4.350 0.000 0.000 0.190 1655 E C 2.253 178.862 176.600 0.016 0.000 0.971 1655 E CA 0.513 56.924 56.400 0.019 0.000 0.821 1655 E CB -0.271 29.435 29.700 0.010 0.000 0.777 1655 E HN 0.056 nan 8.360 nan 0.000 0.460 1656 R N -0.345 120.162 120.500 0.010 0.000 2.120 1656 R HA -0.084 4.256 4.340 0.000 0.000 0.234 1656 R C 2.097 178.407 176.300 0.015 0.000 1.123 1656 R CA 1.063 57.169 56.100 0.011 0.000 0.975 1656 R CB -0.154 30.152 30.300 0.010 0.000 0.866 1656 R HN 0.084 nan 8.270 nan 0.000 0.446 1657 V N 0.802 120.731 119.914 0.025 0.000 2.283 1657 V HA -0.234 3.886 4.120 0.000 0.000 0.243 1657 V C 2.425 178.540 176.094 0.036 0.000 1.039 1657 V CA 1.935 64.257 62.300 0.035 0.000 1.016 1657 V CB -0.525 31.334 31.823 0.060 0.000 0.650 1657 V HN 0.348 nan 8.190 nan 0.000 0.449 1658 R N 0.632 121.165 120.500 0.055 0.000 2.103 1658 R HA -0.266 4.074 4.340 0.000 0.000 0.242 1658 R C 2.305 178.598 176.300 -0.012 0.000 1.142 1658 R CA 2.350 58.483 56.100 0.056 0.000 0.960 1658 R CB -0.504 29.847 30.300 0.085 0.000 0.858 1658 R HN 0.362 nan 8.270 nan 0.000 0.439 1659 R N 0.039 120.537 120.500 -0.003 0.000 2.103 1659 R HA -0.126 4.214 4.340 0.000 0.000 0.242 1659 R C 2.161 178.440 176.300 -0.035 0.000 1.142 1659 R CA 1.915 58.004 56.100 -0.017 0.000 0.960 1659 R CB -0.416 29.881 30.300 -0.004 0.000 0.858 1659 R HN 0.458 nan 8.270 nan 0.000 0.439 1660 A N 0.248 123.048 122.820 -0.033 0.000 2.168 1660 A HA 0.063 4.383 4.320 0.000 0.000 0.215 1660 A C 0.765 178.297 177.584 -0.087 0.000 1.152 1660 A CA 0.242 52.251 52.037 -0.048 0.000 0.716 1660 A CB -0.290 18.690 19.000 -0.033 0.000 0.794 1660 A HN 0.243 nan 8.150 nan 0.000 0.465 1661 I N 2.449 122.949 120.570 -0.116 0.000 2.578 1661 I HA 0.052 4.222 4.170 0.000 0.000 0.286 1661 I C 1.004 177.039 176.117 -0.136 0.000 1.126 1661 I CA 0.069 61.269 61.300 -0.166 0.000 1.380 1661 I CB 0.301 38.157 38.000 -0.241 0.000 1.408 1661 I HN 0.343 nan 8.210 nan 0.000 0.532 1662 T N 3.385 117.876 114.554 -0.105 0.000 2.922 1662 T HA 0.450 4.800 4.350 0.000 0.000 0.281 1662 T C -2.083 172.595 174.700 -0.037 0.000 1.005 1662 T CA -1.879 60.183 62.100 -0.063 0.000 0.982 1662 T CB 1.699 70.537 68.868 -0.049 0.000 1.158 1662 T HN 0.225 nan 8.240 nan 0.000 0.566 1663 P HA 0.267 nan 4.420 nan 0.000 0.241 1663 P C 1.082 178.391 177.300 0.014 0.000 1.191 1663 P CA 0.224 63.333 63.100 0.015 0.000 0.771 1663 P CB 0.134 31.843 31.700 0.015 0.000 0.929 1664 R N -1.608 118.888 120.500 -0.006 0.000 2.128 1664 R HA 0.120 4.460 4.340 0.000 0.000 0.211 1664 R C 0.603 176.892 176.300 -0.019 0.000 1.067 1664 R CA 0.402 56.498 56.100 -0.007 0.000 1.010 1664 R CB -0.869 29.421 30.300 -0.016 0.000 0.922 1664 R HN -0.038 nan 8.270 nan 0.000 0.457 1665 T N 1.940 116.459 114.554 -0.059 0.000 2.609 1665 T HA -0.101 4.250 4.350 0.000 0.000 0.257 1665 T C 0.906 175.550 174.700 -0.095 0.000 1.032 1665 T CA 0.864 62.880 62.100 -0.140 0.000 1.244 1665 T CB 0.293 69.000 68.868 -0.269 0.000 1.003 1665 T HN 0.117 nan 8.240 nan 0.000 0.507 1666 K N 2.817 123.188 120.400 -0.049 0.000 2.244 1666 K HA 0.484 4.804 4.320 0.000 0.000 0.200 1666 K C 0.470 177.149 176.600 0.131 0.000 1.052 1666 K CA 0.471 56.804 56.287 0.075 0.000 0.980 1666 K CB 0.587 33.152 32.500 0.109 0.000 0.838 1666 K HN 0.624 nan 8.250 nan 0.000 0.481 1667 A N 0.294 123.124 122.820 0.016 0.000 2.556 1667 A HA 0.669 4.990 4.320 0.000 0.000 0.294 1667 A C -2.020 175.529 177.584 -0.058 0.000 1.091 1667 A CA -0.741 51.345 52.037 0.081 0.000 0.704 1667 A CB 1.335 20.434 19.000 0.166 0.000 1.300 1667 A HN 0.170 nan 8.150 nan 0.000 0.406 1668 L N 1.285 122.540 121.223 0.053 0.000 2.409 1668 L HA 0.742 5.082 4.340 0.000 0.000 0.272 1668 L C -1.391 175.535 176.870 0.092 0.000 0.980 1668 L CA -0.368 54.495 54.840 0.038 0.000 0.826 1668 L CB 2.095 44.219 42.059 0.110 0.000 1.268 1668 L HN 0.454 nan 8.230 nan 0.000 0.407 1669 V N 5.816 125.752 119.914 0.036 0.000 2.333 1669 V HA 0.570 4.691 4.120 0.000 0.000 0.274 1669 V C 0.092 176.182 176.094 -0.007 0.000 1.028 1669 V CA -0.423 61.862 62.300 -0.025 0.000 0.851 1669 V CB 1.046 32.748 31.823 -0.202 0.000 1.000 1669 V HN 0.679 nan 8.190 nan 0.000 0.456 1670 V N 2.335 122.283 119.914 0.056 0.000 2.667 1670 V HA 0.665 4.785 4.120 0.000 0.000 0.308 1670 V C -0.347 175.790 176.094 0.071 0.000 1.048 1670 V CA -0.562 61.815 62.300 0.128 0.000 0.928 1670 V CB 1.919 33.867 31.823 0.207 0.000 1.004 1670 V HN 0.913 nan 8.190 nan 0.000 0.444 1671 N N 2.606 121.321 118.700 0.025 0.000 2.648 1671 N HA 0.373 5.113 4.740 0.000 0.000 0.261 1671 N C -1.320 174.023 175.510 -0.279 0.000 1.138 1671 N CA -0.088 52.952 53.050 -0.018 0.000 0.804 1671 N CB 1.228 39.803 38.487 0.146 0.000 1.237 1671 N HN 0.930 nan 8.380 nan 0.000 0.532 1672 S N 3.697 119.251 115.700 -0.243 0.000 2.659 1672 S HA 0.522 4.993 4.470 0.000 0.000 0.312 1672 S C -2.680 171.941 174.600 0.036 0.000 1.114 1672 S CA -1.256 56.763 58.200 -0.303 0.000 1.063 1672 S CB 1.301 64.251 63.200 -0.417 0.000 0.996 1672 S HN 0.316 nan 8.310 nan 0.000 0.478 1673 P HA 0.132 nan 4.420 nan 0.000 0.270 1673 P C -0.859 176.333 177.300 -0.180 0.000 1.221 1673 P CA -0.150 62.887 63.100 -0.106 0.000 0.788 1673 P CB 0.383 32.015 31.700 -0.112 0.000 0.904 1674 N N 1.722 120.295 118.700 -0.212 0.000 2.400 1674 N HA 0.206 4.947 4.740 0.000 0.000 0.288 1674 N C -1.134 174.265 175.510 -0.184 0.000 1.024 1674 N CA -0.452 52.497 53.050 -0.168 0.000 0.894 1674 N CB 0.112 38.535 38.487 -0.106 0.000 1.173 1674 N HN 0.218 nan 8.380 nan 0.000 0.487 1675 N N 3.388 122.013 118.700 -0.125 0.000 2.392 1675 N HA 0.449 5.189 4.740 0.000 0.000 0.283 1675 N C -2.343 173.151 175.510 -0.027 0.000 1.003 1675 N CA -1.977 50.949 53.050 -0.206 0.000 0.892 1675 N CB 2.144 40.492 38.487 -0.232 0.000 1.193 1675 N HN 0.389 nan 8.380 nan 0.000 0.487 1676 P HA 0.131 nan 4.420 nan 0.000 0.268 1676 P C 0.601 177.740 177.300 -0.269 0.000 1.329 1676 P CA 0.264 63.155 63.100 -0.347 0.000 0.899 1676 P CB 0.214 31.568 31.700 -0.577 0.000 1.378 1677 T N -4.893 109.488 114.554 -0.288 0.000 3.054 1677 T HA 0.229 4.579 4.350 0.000 0.000 0.259 1677 T C 1.673 176.315 174.700 -0.097 0.000 1.092 1677 T CA 1.080 62.975 62.100 -0.342 0.000 1.121 1677 T CB -0.985 67.465 68.868 -0.697 0.000 0.912 1677 T HN 0.164 nan 8.240 nan 0.000 0.489 1678 G N 1.471 110.241 108.800 -0.049 0.000 2.179 1678 G HA2 -0.078 3.882 3.960 0.000 0.000 0.260 1678 G HA3 -0.078 3.882 3.960 0.000 0.000 0.260 1678 G C 0.298 175.227 174.900 0.049 0.000 0.977 1678 G CA 0.002 45.107 45.100 0.010 0.000 0.641 1678 G HN 1.253 nan 8.290 nan 0.000 0.533 1679 A N 0.018 122.888 122.820 0.082 0.000 2.492 1679 A HA 0.596 4.916 4.320 0.000 0.000 0.254 1679 A C 0.527 178.195 177.584 0.139 0.000 1.091 1679 A CA 0.465 52.618 52.037 0.194 0.000 0.768 1679 A CB 0.762 19.991 19.000 0.381 0.000 1.028 1679 A HN 1.173 nan 8.150 nan 0.000 0.498 1680 V N 4.889 124.906 119.914 0.171 0.000 2.333 1680 V HA 0.142 4.262 4.120 0.000 0.000 0.274 1680 V C -0.223 176.051 176.094 0.301 0.000 1.028 1680 V CA -0.325 62.052 62.300 0.127 0.000 0.851 1680 V CB -0.083 31.796 31.823 0.094 0.000 1.000 1680 V HN 0.765 nan 8.190 nan 0.000 0.456 1681 Y N 6.557 126.890 120.300 0.054 0.000 2.526 1681 Y HA 0.186 4.737 4.550 0.000 0.000 0.330 1681 Y C -1.531 174.383 175.900 0.023 0.000 1.156 1681 Y CA -2.074 56.054 58.100 0.046 0.000 1.419 1681 Y CB 0.964 39.457 38.460 0.055 0.000 1.250 1681 Y HN 0.434 nan 8.280 nan 0.000 0.540 1682 P HA 0.024 nan 4.420 nan 0.000 0.279 1682 P C 0.322 177.613 177.300 -0.015 0.000 1.239 1682 P CA -0.374 62.757 63.100 0.052 0.000 0.789 1682 P CB 1.573 33.284 31.700 0.018 0.000 0.933 1683 K N 2.404 122.737 120.400 -0.111 0.000 2.137 1683 K HA -0.285 4.035 4.320 0.000 0.000 0.216 1683 K C 1.320 177.685 176.600 -0.391 0.000 1.052 1683 K CA 2.549 58.589 56.287 -0.412 0.000 0.939 1683 K CB -0.124 32.073 32.500 -0.505 0.000 0.724 1683 K HN 0.403 nan 8.250 nan 0.000 0.465 1684 E N -0.115 119.952 120.200 -0.221 0.000 2.150 1684 E HA -0.112 4.238 4.350 0.000 0.000 0.193 1684 E C 1.952 178.503 176.600 -0.083 0.000 0.985 1684 E CA 1.230 57.538 56.400 -0.154 0.000 0.814 1684 E CB -0.004 29.631 29.700 -0.108 0.000 0.752 1684 E HN 0.181 nan 8.360 nan 0.000 0.466 1685 V N 0.586 120.470 119.914 -0.051 0.000 2.323 1685 V HA -0.181 3.939 4.120 0.000 0.000 0.244 1685 V C 2.047 178.159 176.094 0.029 0.000 1.041 1685 V CA 0.998 63.283 62.300 -0.025 0.000 1.025 1685 V CB -0.448 31.341 31.823 -0.057 0.000 0.656 1685 V HN 0.196 nan 8.190 nan 0.000 0.451 1686 L N 0.241 121.513 121.223 0.082 0.000 2.042 1686 L HA -0.178 4.162 4.340 0.000 0.000 0.210 1686 L C 2.465 179.438 176.870 0.173 0.000 1.076 1686 L CA 1.921 56.871 54.840 0.184 0.000 0.749 1686 L CB -1.066 41.178 42.059 0.309 0.000 0.893 1686 L HN 0.462 nan 8.230 nan 0.000 0.432 1687 E N -1.391 118.854 120.200 0.075 0.000 2.274 1687 E HA -0.128 4.222 4.350 0.000 0.000 0.194 1687 E C 2.100 178.717 176.600 0.028 0.000 0.996 1687 E CA 0.748 57.185 56.400 0.061 0.000 0.840 1687 E CB 0.174 29.805 29.700 -0.115 0.000 0.772 1687 E HN 0.489 nan 8.360 nan 0.000 0.491 1688 A N 0.514 123.342 122.820 0.014 0.000 1.855 1688 A HA -0.090 4.231 4.320 0.000 0.000 0.213 1688 A C 1.885 179.488 177.584 0.031 0.000 1.195 1688 A CA 0.600 52.642 52.037 0.008 0.000 0.610 1688 A CB -0.359 18.642 19.000 0.001 0.000 0.837 1688 A HN 0.205 nan 8.150 nan 0.000 0.444 1689 L N 0.138 121.399 121.223 0.063 0.000 2.129 1689 L HA -0.174 4.166 4.340 0.000 0.000 0.212 1689 L C 2.880 179.796 176.870 0.077 0.000 1.087 1689 L CA 1.823 56.723 54.840 0.101 0.000 0.757 1689 L CB -1.794 40.345 42.059 0.134 0.000 0.896 1689 L HN 0.430 nan 8.230 nan 0.000 0.434 1690 A N -0.349 122.502 122.820 0.051 0.000 1.898 1690 A HA -0.188 4.132 4.320 0.000 0.000 0.216 1690 A C 2.474 179.984 177.584 -0.123 0.000 1.181 1690 A CA 1.296 53.328 52.037 -0.009 0.000 0.620 1690 A CB -0.424 18.600 19.000 0.040 0.000 0.819 1690 A HN 0.360 nan 8.150 nan 0.000 0.442 1691 R N -0.710 119.735 120.500 -0.091 0.000 2.235 1691 R HA 0.047 4.387 4.340 0.000 0.000 0.213 1691 R C 1.581 177.766 176.300 -0.190 0.000 1.059 1691 R CA 0.455 56.468 56.100 -0.146 0.000 0.997 1691 R CB -0.180 30.066 30.300 -0.090 0.000 0.884 1691 R HN 0.335 nan 8.270 nan 0.000 0.462 1692 L N -0.023 121.132 121.223 -0.114 0.000 2.095 1692 L HA 0.008 4.348 4.340 0.000 0.000 0.204 1692 L C 2.400 179.039 176.870 -0.384 0.000 1.080 1692 L CA 1.631 56.456 54.840 -0.024 0.000 0.759 1692 L CB -1.336 40.863 42.059 0.233 0.000 0.914 1692 L HN 0.148 nan 8.230 nan 0.000 0.439 1693 A N -0.570 121.837 122.820 -0.689 0.000 1.933 1693 A HA -0.138 4.182 4.320 0.000 0.000 0.218 1693 A C 2.414 179.355 177.584 -1.072 0.000 1.175 1693 A CA 1.786 52.931 52.037 -1.486 0.000 0.628 1693 A CB -0.638 17.942 19.000 -0.701 0.000 0.814 1693 A HN 0.225 nan 8.150 nan 0.000 0.444 1694 V N -0.239 119.180 119.914 -0.825 0.000 2.270 1694 V HA -0.228 3.893 4.120 0.000 0.000 0.245 1694 V C 2.487 178.286 176.094 -0.492 0.000 1.043 1694 V CA 2.122 63.929 62.300 -0.821 0.000 1.014 1694 V CB -0.724 30.780 31.823 -0.532 0.000 0.645 1694 V HN 0.713 nan 8.190 nan 0.000 0.447 1695 E N -0.370 119.551 120.200 -0.464 0.000 2.110 1695 E HA -0.220 4.131 4.350 0.000 0.000 0.193 1695 E C 1.511 177.773 176.600 -0.563 0.000 0.988 1695 E CA 1.435 57.538 56.400 -0.494 0.000 0.804 1695 E CB 0.011 29.358 29.700 -0.589 0.000 0.745 1695 E HN 0.818 nan 8.360 nan 0.000 0.458 1696 H N -0.722 118.240 119.070 -0.179 0.000 2.528 1696 H HA 0.170 4.726 4.556 0.000 0.000 0.282 1696 H C -0.829 174.504 175.328 0.008 0.000 1.097 1696 H CA 0.033 56.072 56.048 -0.015 0.000 1.121 1696 H CB 0.531 30.417 29.762 0.205 0.000 1.590 1696 H HN 0.078 nan 8.280 nan 0.000 0.553 1697 D N 1.016 121.365 120.400 -0.085 0.000 3.205 1697 D HA -0.203 4.437 4.640 0.000 0.000 0.227 1697 D C -1.016 175.342 176.300 0.097 0.000 1.171 1697 D CA 0.968 54.973 54.000 0.007 0.000 0.929 1697 D CB -0.823 40.002 40.800 0.040 0.000 0.900 1697 D HN 0.506 nan 8.370 nan 0.000 0.404 1698 F N -0.937 119.064 119.950 0.084 0.000 2.686 1698 F HA 0.584 5.111 4.527 0.000 0.000 0.311 1698 F C -0.964 174.846 175.800 0.017 0.000 1.128 1698 F CA -1.576 56.415 58.000 -0.016 0.000 0.946 1698 F CB 0.921 39.947 39.000 0.044 0.000 1.336 1698 F HN -0.129 nan 8.300 nan 0.000 0.457 1699 Y N 1.917 122.463 120.300 0.411 0.000 2.346 1699 Y HA 0.448 4.998 4.550 0.000 0.000 0.330 1699 Y C -0.010 176.078 175.900 0.313 0.000 1.178 1699 Y CA -0.582 57.669 58.100 0.253 0.000 1.331 1699 Y CB 1.202 39.729 38.460 0.111 0.000 1.253 1699 Y HN 0.605 nan 8.280 nan 0.000 0.529 1700 L N 4.533 125.977 121.223 0.369 0.000 2.316 1700 L HA 0.524 4.864 4.340 0.000 0.000 0.280 1700 L C -1.377 175.584 176.870 0.152 0.000 1.006 1700 L CA -0.804 54.193 54.840 0.262 0.000 0.836 1700 L CB 0.634 42.806 42.059 0.188 0.000 1.221 1700 L HN 0.411 nan 8.230 nan 0.000 0.418 1701 V N 3.559 123.533 119.914 0.101 0.000 2.465 1701 V HA 0.317 4.437 4.120 0.000 0.000 0.279 1701 V C 0.301 176.425 176.094 0.050 0.000 1.045 1701 V CA -0.210 62.100 62.300 0.017 0.000 0.938 1701 V CB 1.476 33.271 31.823 -0.047 0.000 0.986 1701 V HN 0.787 nan 8.190 nan 0.000 0.467 1702 S N 2.650 118.374 115.700 0.041 0.000 2.733 1702 S HA 0.254 4.725 4.470 0.000 0.000 0.307 1702 S C -0.418 174.229 174.600 0.079 0.000 1.127 1702 S CA -0.669 57.568 58.200 0.062 0.000 1.097 1702 S CB 0.756 63.983 63.200 0.045 0.000 1.003 1702 S HN 0.816 nan 8.310 nan 0.000 0.477 1703 D N 4.114 124.586 120.400 0.121 0.000 2.713 1703 D HA 0.070 4.710 4.640 0.000 0.000 0.229 1703 D C 0.642 177.022 176.300 0.134 0.000 1.136 1703 D CA -0.352 53.743 54.000 0.159 0.000 1.010 1703 D CB 0.204 41.188 40.800 0.305 0.000 1.084 1703 D HN 0.791 nan 8.370 nan 0.000 0.495 1704 E N 1.500 121.774 120.200 0.123 0.000 2.594 1704 E HA 0.016 4.366 4.350 0.000 0.000 0.300 1704 E C 1.332 177.946 176.600 0.023 0.000 1.568 1704 E CA -0.232 56.253 56.400 0.141 0.000 1.811 1704 E CB -0.001 29.868 29.700 0.281 0.000 1.458 1704 E HN 0.465 nan 8.360 nan 0.000 0.470 1705 I N -0.194 120.356 120.570 -0.032 0.000 2.928 1705 I HA -0.156 4.014 4.170 0.000 0.000 0.266 1705 I C 0.368 176.251 176.117 -0.389 0.000 1.234 1705 I CA 0.540 61.704 61.300 -0.226 0.000 1.483 1705 I CB 0.248 38.050 38.000 -0.330 0.000 1.097 1705 I HN 0.260 nan 8.210 nan 0.000 0.455 1706 Y N 0.562 120.750 120.300 -0.186 0.000 2.607 1706 Y HA 0.084 4.635 4.550 0.001 0.000 0.266 1706 Y C 2.009 177.755 175.900 -0.258 0.000 1.178 1706 Y CA -0.071 57.874 58.100 -0.257 0.000 1.226 1706 Y CB -0.193 38.082 38.460 -0.309 0.000 1.144 1706 Y HN 0.260 nan 8.280 nan 0.000 0.528 1707 E N -0.055 120.020 120.200 -0.208 0.000 2.208 1707 E HA -0.326 4.024 4.350 0.000 0.000 0.202 1707 E C 0.686 177.009 176.600 -0.462 0.000 1.014 1707 E CA 2.165 58.227 56.400 -0.565 0.000 0.819 1707 E CB -0.251 28.901 29.700 -0.913 0.000 0.735 1707 E HN 0.616 nan 8.360 nan 0.000 0.469 1708 H N -0.248 118.677 119.070 -0.243 0.000 2.544 1708 H HA 0.246 4.802 4.556 0.000 0.000 0.269 1708 H C 0.476 175.706 175.328 -0.163 0.000 0.970 1708 H CA 0.532 56.471 56.048 -0.182 0.000 1.219 1708 H CB 0.349 29.998 29.762 -0.187 0.000 1.421 1708 H HN 0.094 nan 8.280 nan 0.000 0.555 1709 L N 1.671 122.817 121.223 -0.128 0.000 2.648 1709 L HA 0.207 4.547 4.340 0.000 0.000 0.238 1709 L C -0.735 175.784 176.870 -0.586 0.000 1.316 1709 L CA -0.108 54.564 54.840 -0.280 0.000 1.241 1709 L CB 0.148 42.056 42.059 -0.251 0.000 1.499 1709 L HN 0.158 nan 8.230 nan 0.000 0.411 1710 L N 0.047 120.991 121.223 -0.465 0.000 2.337 1710 L HA 0.273 4.614 4.340 0.000 0.000 0.269 1710 L C 0.521 177.220 176.870 -0.285 0.000 1.018 1710 L CA -0.378 54.239 54.840 -0.372 0.000 0.876 1710 L CB 0.893 42.862 42.059 -0.149 0.000 1.236 1710 L HN 0.242 nan 8.230 nan 0.000 0.436 1711 Y N 1.980 122.328 120.300 0.080 0.000 2.220 1711 Y HA -0.028 4.522 4.550 0.000 0.000 0.291 1711 Y C 0.715 176.651 175.900 0.060 0.000 1.129 1711 Y CA 0.161 58.307 58.100 0.077 0.000 1.161 1711 Y CB 0.274 38.786 38.460 0.087 0.000 0.997 1711 Y HN 0.450 nan 8.280 nan 0.000 0.522 1712 E N 0.112 120.419 120.200 0.178 0.000 2.294 1712 E HA 0.551 4.901 4.350 0.000 0.000 0.272 1712 E C -0.365 176.289 176.600 0.090 0.000 0.896 1712 E CA -0.323 56.151 56.400 0.122 0.000 0.802 1712 E CB 1.805 31.580 29.700 0.124 0.000 1.267 1712 E HN 0.256 nan 8.360 nan 0.000 0.406 1713 G N 2.795 111.638 108.800 0.071 0.000 2.347 1713 G HA2 0.112 4.073 3.960 0.000 0.000 0.341 1713 G HA3 0.112 4.073 3.960 0.000 0.000 0.341 1713 G C -1.528 173.410 174.900 0.063 0.000 1.287 1713 G CA -0.378 44.762 45.100 0.066 0.000 0.984 1713 G HN 0.804 nan 8.290 nan 0.000 0.526 1714 E N -1.318 118.923 120.200 0.069 0.000 2.227 1714 E HA 0.653 5.004 4.350 0.000 0.000 0.268 1714 E C -0.788 175.880 176.600 0.113 0.000 0.907 1714 E CA -1.054 55.397 56.400 0.085 0.000 0.786 1714 E CB 2.027 31.774 29.700 0.078 0.000 1.191 1714 E HN 0.716 nan 8.360 nan 0.000 0.411 1715 H N 2.338 121.438 119.070 0.050 0.000 2.640 1715 H HA 0.309 4.866 4.556 0.000 0.000 0.297 1715 H C -1.788 173.622 175.328 0.136 0.000 1.073 1715 H CA -0.713 55.371 56.048 0.060 0.000 1.305 1715 H CB 0.392 30.138 29.762 -0.027 0.000 1.404 1715 H HN 0.477 nan 8.280 nan 0.000 0.459 1716 F N 3.777 123.484 119.950 -0.405 0.000 2.436 1716 F HA 0.409 4.936 4.527 0.001 0.000 0.340 1716 F C -0.526 175.115 175.800 -0.265 0.000 1.113 1716 F CA -0.608 57.266 58.000 -0.211 0.000 1.022 1716 F CB 1.303 40.237 39.000 -0.109 0.000 1.128 1716 F HN 0.418 nan 8.300 nan 0.000 0.466 1717 S N 8.382 123.637 115.700 -0.742 0.000 2.420 1717 S HA 0.231 4.701 4.470 0.000 0.000 0.313 1717 S C -1.712 172.436 174.600 -0.754 0.000 1.079 1717 S CA -1.056 56.870 58.200 -0.457 0.000 1.104 1717 S CB 1.230 64.304 63.200 -0.209 0.000 0.969 1717 S HN 0.560 nan 8.310 nan 0.000 0.471 1718 P HA -0.095 nan 4.420 nan 0.000 0.221 1718 P C 1.449 178.681 177.300 -0.115 0.000 1.145 1718 P CA 0.842 63.876 63.100 -0.109 0.000 0.795 1718 P CB -0.084 31.655 31.700 0.065 0.000 0.775 1719 G N 0.505 109.216 108.800 -0.148 0.000 2.498 1719 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 1719 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 1719 G C 1.834 176.680 174.900 -0.089 0.000 1.119 1719 G CA 0.452 45.496 45.100 -0.094 0.000 0.766 1719 G HN 0.276 nan 8.290 nan 0.000 0.552 1720 R N -0.293 120.109 120.500 -0.164 0.000 2.115 1720 R HA 0.022 4.363 4.340 0.000 0.000 0.230 1720 R C 2.388 178.690 176.300 0.003 0.000 1.111 1720 R CA 1.227 57.271 56.100 -0.093 0.000 0.976 1720 R CB -0.258 29.944 30.300 -0.164 0.000 0.870 1720 R HN 0.234 nan 8.270 nan 0.000 0.445 1721 V N 0.079 120.014 119.914 0.034 0.000 2.273 1721 V HA 0.055 4.175 4.120 0.000 0.000 0.242 1721 V C 0.945 177.057 176.094 0.030 0.000 1.035 1721 V CA 1.577 63.925 62.300 0.080 0.000 1.013 1721 V CB -0.225 31.697 31.823 0.164 0.000 0.652 1721 V HN 0.426 nan 8.190 nan 0.000 0.452 1722 A N 1.134 123.964 122.820 0.016 0.000 2.801 1722 A HA 0.513 4.833 4.320 0.000 0.000 0.344 1722 A C -1.430 176.195 177.584 0.069 0.000 1.322 1722 A CA -1.093 50.953 52.037 0.016 0.000 0.913 1722 A CB 0.349 19.309 19.000 -0.067 0.000 1.140 1722 A HN 0.363 nan 8.150 nan 0.000 0.487 1723 P HA -0.099 nan 4.420 nan 0.000 0.229 1723 P C 0.633 177.968 177.300 0.059 0.000 1.160 1723 P CA 1.030 64.154 63.100 0.041 0.000 0.777 1723 P CB 0.474 32.187 31.700 0.021 0.000 0.814 1724 E N -1.370 118.896 120.200 0.110 0.000 2.400 1724 E HA -0.047 4.303 4.350 0.000 0.000 0.195 1724 E C 0.934 177.499 176.600 -0.058 0.000 1.012 1724 E CA 0.435 56.844 56.400 0.015 0.000 0.875 1724 E CB -0.024 29.633 29.700 -0.073 0.000 0.859 1724 E HN 0.505 nan 8.360 nan 0.000 0.498 1725 H N -1.317 117.759 119.070 0.010 0.000 3.058 1725 H HA 0.170 4.726 4.556 0.001 0.000 0.258 1725 H C 0.071 175.483 175.328 0.139 0.000 1.015 1725 H CA 0.142 56.215 56.048 0.042 0.000 1.210 1725 H CB 0.614 30.321 29.762 -0.092 0.000 1.481 1725 H HN -0.149 nan 8.280 nan 0.000 0.492 1726 T N 1.578 116.248 114.554 0.193 0.000 2.869 1726 T HA 0.373 4.723 4.350 0.000 0.000 0.295 1726 T C -0.142 174.587 174.700 0.047 0.000 0.987 1726 T CA -0.373 61.792 62.100 0.109 0.000 1.109 1726 T CB 1.213 70.107 68.868 0.043 0.000 0.932 1726 T HN 0.086 nan 8.240 nan 0.000 0.518 1727 L N 3.372 124.602 121.223 0.011 0.000 2.417 1727 L HA 0.307 4.648 4.340 0.000 0.000 0.259 1727 L C 0.017 176.833 176.870 -0.090 0.000 1.023 1727 L CA -0.398 54.401 54.840 -0.068 0.000 0.901 1727 L CB 0.873 42.865 42.059 -0.111 0.000 1.227 1727 L HN 0.654 nan 8.230 nan 0.000 0.454 1728 T N 2.520 116.984 114.554 -0.150 0.000 2.888 1728 T HA 0.263 4.613 4.350 0.000 0.000 0.301 1728 T C -0.067 174.547 174.700 -0.144 0.000 1.001 1728 T CA -0.035 61.962 62.100 -0.173 0.000 1.147 1728 T CB 1.005 69.666 68.868 -0.345 0.000 0.931 1728 T HN 0.209 nan 8.240 nan 0.000 0.541 1729 V N 5.485 125.381 119.914 -0.030 0.000 2.340 1729 V HA 0.328 4.449 4.120 0.000 0.000 0.277 1729 V C 0.280 176.404 176.094 0.049 0.000 1.017 1729 V CA -0.949 61.363 62.300 0.021 0.000 0.820 1729 V CB 0.997 32.844 31.823 0.041 0.000 1.028 1729 V HN 0.771 nan 8.190 nan 0.000 0.436 1730 N N 2.122 120.880 118.700 0.096 0.000 2.681 1730 N HA 0.810 5.551 4.740 0.000 0.000 0.311 1730 N C -0.021 175.247 175.510 -0.403 0.000 1.303 1730 N CA 0.243 53.277 53.050 -0.027 0.000 0.926 1730 N CB 2.295 40.933 38.487 0.251 0.000 1.136 1730 N HN 0.757 nan 8.380 nan 0.000 0.592 1731 G N -1.761 106.618 108.800 -0.701 0.000 2.633 1731 G HA2 0.469 4.429 3.960 0.000 0.000 0.299 1731 G HA3 0.469 4.429 3.960 0.000 0.000 0.299 1731 G C -0.917 173.658 174.900 -0.541 0.000 1.501 1731 G CA -0.065 44.557 45.100 -0.796 0.000 0.887 1731 G HN 0.533 nan 8.290 nan 0.000 0.561 1732 A N 0.537 123.186 122.820 -0.285 0.000 2.359 1732 A HA 0.604 4.924 4.320 0.000 0.000 0.240 1732 A C 1.900 179.551 177.584 0.111 0.000 1.306 1732 A CA 1.338 53.497 52.037 0.204 0.000 0.898 1732 A CB -0.213 19.092 19.000 0.507 0.000 0.956 1732 A HN 1.719 nan 8.150 nan 0.000 0.497 1733 A N -0.508 122.283 122.820 -0.048 0.000 2.095 1733 A HA 0.145 4.465 4.320 0.000 0.000 0.212 1733 A C 1.988 179.558 177.584 -0.024 0.000 1.162 1733 A CA 0.723 52.752 52.037 -0.013 0.000 0.753 1733 A CB 0.059 19.035 19.000 -0.040 0.000 0.840 1733 A HN 0.282 nan 8.150 nan 0.000 0.468 1734 K N -0.660 119.654 120.400 -0.143 0.000 2.286 1734 K HA 0.313 4.634 4.320 0.000 0.000 0.203 1734 K C 2.174 178.734 176.600 -0.067 0.000 1.078 1734 K CA 1.043 57.265 56.287 -0.108 0.000 0.957 1734 K CB -0.807 31.444 32.500 -0.415 0.000 1.018 1734 K HN 0.280 nan 8.250 nan 0.000 0.484 1735 A N 0.921 123.543 122.820 -0.330 0.000 1.933 1735 A HA -0.072 4.248 4.320 0.000 0.000 0.218 1735 A C 1.320 178.618 177.584 -0.477 0.000 1.175 1735 A CA 1.284 52.969 52.037 -0.586 0.000 0.628 1735 A CB -0.592 17.668 19.000 -1.234 0.000 0.814 1735 A HN 0.264 nan 8.150 nan 0.000 0.444 1736 F N -1.770 118.257 119.950 0.128 0.000 2.708 1736 F HA 0.531 5.058 4.527 0.001 0.000 0.300 1736 F C 1.320 177.122 175.800 0.003 0.000 1.118 1736 F CA 0.212 58.232 58.000 0.033 0.000 1.307 1736 F CB 0.100 39.004 39.000 -0.160 0.000 0.986 1736 F HN 0.264 nan 8.300 nan 0.000 0.522 1737 A N 0.425 123.424 122.820 0.299 0.000 2.790 1737 A HA -0.305 4.015 4.320 0.000 0.000 0.277 1737 A C 0.808 178.522 177.584 0.216 0.000 1.435 1737 A CA 1.216 53.429 52.037 0.293 0.000 0.877 1737 A CB -2.281 16.942 19.000 0.372 0.000 1.007 1737 A HN 0.533 nan 8.150 nan 0.000 0.613 1738 M N 0.591 120.296 119.600 0.176 0.000 3.242 1738 M HA 0.079 4.559 4.480 0.000 0.000 0.250 1738 M C 1.579 178.048 176.300 0.281 0.000 1.239 1738 M CA 0.599 56.027 55.300 0.214 0.000 1.205 1738 M CB -0.301 32.280 32.600 -0.033 0.000 1.189 1738 M HN 0.561 nan 8.290 nan 0.000 0.531 1739 T N -2.799 111.894 114.554 0.231 0.000 2.821 1739 T HA -0.058 4.293 4.350 0.000 0.000 0.267 1739 T C 1.919 176.716 174.700 0.161 0.000 1.046 1739 T CA 1.454 63.649 62.100 0.159 0.000 1.139 1739 T CB -0.426 68.512 68.868 0.117 0.000 0.871 1739 T HN 0.618 nan 8.240 nan 0.000 0.454 1740 G N -0.392 108.518 108.800 0.184 0.000 2.650 1740 G HA2 0.007 3.967 3.960 0.000 0.000 0.214 1740 G HA3 0.007 3.967 3.960 0.000 0.000 0.214 1740 G C 0.955 175.863 174.900 0.015 0.000 1.136 1740 G CA -0.198 44.941 45.100 0.065 0.000 0.789 1740 G HN 0.554 nan 8.290 nan 0.000 0.536 1741 W N 0.086 121.400 121.300 0.022 0.000 2.584 1741 W HA 0.234 4.894 4.660 0.000 0.000 0.264 1741 W C 0.774 177.305 176.519 0.020 0.000 1.264 1741 W CA -0.008 57.349 57.345 0.021 0.000 1.306 1741 W CB 0.335 29.809 29.460 0.024 0.000 1.110 1741 W HN -0.022 nan 8.180 nan 0.000 0.606 1742 R N -0.032 120.594 120.500 0.210 0.000 3.209 1742 R HA -0.176 4.165 4.340 0.000 0.000 0.252 1742 R C -0.910 175.468 176.300 0.130 0.000 0.958 1742 R CA 0.615 56.788 56.100 0.122 0.000 0.651 1742 R CB -3.053 27.288 30.300 0.068 0.000 1.142 1742 R HN 0.122 nan 8.270 nan 0.000 0.441 1743 I N -0.240 120.416 120.570 0.143 0.000 2.465 1743 I HA 0.642 4.812 4.170 0.000 0.000 0.291 1743 I C 1.086 177.240 176.117 0.061 0.000 1.014 1743 I CA -0.355 61.026 61.300 0.135 0.000 1.093 1743 I CB 2.086 40.195 38.000 0.181 0.000 1.267 1743 I HN 0.330 nan 8.210 nan 0.000 0.431 1744 G N 5.529 114.358 108.800 0.049 0.000 2.680 1744 G HA2 0.799 4.759 3.960 0.000 0.000 0.290 1744 G HA3 0.799 4.759 3.960 0.000 0.000 0.290 1744 G C -1.971 172.958 174.900 0.048 0.000 1.355 1744 G CA -0.425 44.602 45.100 -0.121 0.000 0.903 1744 G HN 0.505 nan 8.290 nan 0.000 0.474 1745 Y N -2.417 117.941 120.300 0.098 0.000 2.638 1745 Y HA 0.868 5.418 4.550 0.000 0.000 0.335 1745 Y C -0.035 175.991 175.900 0.210 0.000 1.155 1745 Y CA -1.219 56.968 58.100 0.145 0.000 1.046 1745 Y CB 1.460 40.005 38.460 0.143 0.000 1.303 1745 Y HN 1.117 nan 8.280 nan 0.000 0.460 1746 A N 0.191 123.235 122.820 0.374 0.000 2.564 1746 A HA 0.898 5.218 4.320 0.000 0.000 0.291 1746 A C -1.147 176.443 177.584 0.011 0.000 1.102 1746 A CA -0.304 51.818 52.037 0.141 0.000 0.660 1746 A CB 1.015 20.039 19.000 0.039 0.000 1.283 1746 A HN 1.961 nan 8.150 nan 0.000 0.430 1747 C N -1.712 117.449 119.300 -0.232 0.000 3.306 1747 C HA 1.048 5.508 4.460 0.000 0.000 0.335 1747 C C 0.262 175.122 174.990 -0.216 0.000 1.382 1747 C CA 0.402 59.279 59.018 -0.234 0.000 1.254 1747 C CB 1.066 28.568 27.740 -0.395 0.000 1.555 1747 C HN 2.950 nan 8.230 nan 0.000 0.463 1748 G N 0.307 109.024 108.800 -0.138 0.000 2.398 1748 G HA2 0.534 4.495 3.960 0.000 0.000 0.251 1748 G HA3 0.534 4.495 3.960 0.000 0.000 0.251 1748 G C -3.568 171.300 174.900 -0.053 0.000 1.277 1748 G CA -0.500 44.543 45.100 -0.095 0.000 0.927 1748 G HN 0.660 nan 8.290 nan 0.000 0.477 1749 P HA 0.185 nan 4.420 nan 0.000 0.263 1749 P C 0.819 178.108 177.300 -0.018 0.000 1.195 1749 P CA 0.129 63.224 63.100 -0.008 0.000 0.762 1749 P CB 1.103 32.820 31.700 0.029 0.000 0.799 1750 K N 4.235 124.627 120.400 -0.013 0.000 2.032 1750 K HA -0.295 4.025 4.320 0.000 0.000 0.218 1750 K C 1.754 178.346 176.600 -0.014 0.000 1.054 1750 K CA 2.366 58.646 56.287 -0.012 0.000 0.941 1750 K CB -0.167 32.330 32.500 -0.006 0.000 0.720 1750 K HN 0.590 nan 8.250 nan 0.000 0.449 1751 E N -0.148 120.048 120.200 -0.007 0.000 2.108 1751 E HA -0.240 4.111 4.350 0.000 0.000 0.203 1751 E C 1.759 178.348 176.600 -0.019 0.000 1.022 1751 E CA 2.071 58.469 56.400 -0.004 0.000 0.823 1751 E CB -0.488 29.220 29.700 0.013 0.000 0.744 1751 E HN 0.203 nan 8.360 nan 0.000 0.456 1752 V N 0.298 120.188 119.914 -0.040 0.000 3.129 1752 V HA -0.090 4.030 4.120 0.000 0.000 0.259 1752 V C 2.132 178.172 176.094 -0.090 0.000 1.116 1752 V CA 0.703 62.943 62.300 -0.100 0.000 1.127 1752 V CB -0.227 31.467 31.823 -0.215 0.000 0.742 1752 V HN 0.130 nan 8.190 nan 0.000 0.474 1753 I N 1.302 121.837 120.570 -0.059 0.000 2.286 1753 I HA -0.178 3.992 4.170 0.000 0.000 0.245 1753 I C 2.572 178.673 176.117 -0.027 0.000 1.104 1753 I CA 1.628 62.901 61.300 -0.043 0.000 1.397 1753 I CB -0.310 37.673 38.000 -0.029 0.000 1.072 1753 I HN 0.378 nan 8.210 nan 0.000 0.417 1754 K N 0.538 120.925 120.400 -0.022 0.000 2.211 1754 K HA -0.012 4.308 4.320 0.000 0.000 0.203 1754 K C 1.941 178.532 176.600 -0.015 0.000 1.050 1754 K CA 1.340 57.620 56.287 -0.013 0.000 0.945 1754 K CB -0.483 32.012 32.500 -0.009 0.000 0.732 1754 K HN 0.202 nan 8.250 nan 0.000 0.451 1755 A N 1.658 124.463 122.820 -0.025 0.000 1.969 1755 A HA 0.003 4.324 4.320 0.000 0.000 0.218 1755 A C 2.155 179.724 177.584 -0.024 0.000 1.169 1755 A CA 1.200 53.222 52.037 -0.026 0.000 0.635 1755 A CB -0.432 18.544 19.000 -0.041 0.000 0.810 1755 A HN 0.329 nan 8.150 nan 0.000 0.445 1756 M N -0.927 118.654 119.600 -0.030 0.000 2.349 1756 M HA -0.010 4.470 4.480 0.000 0.000 0.266 1756 M C 2.414 178.719 176.300 0.009 0.000 1.076 1756 M CA 1.061 56.352 55.300 -0.015 0.000 1.126 1756 M CB -0.308 32.275 32.600 -0.028 0.000 1.392 1756 M HN 0.475 nan 8.290 nan 0.000 0.440 1757 A N -0.319 122.502 122.820 0.003 0.000 1.968 1757 A HA -0.067 4.253 4.320 0.000 0.000 0.217 1757 A C 2.299 179.888 177.584 0.008 0.000 1.169 1757 A CA 1.612 53.654 52.037 0.008 0.000 0.638 1757 A CB -0.476 18.525 19.000 0.002 0.000 0.812 1757 A HN 0.369 nan 8.150 nan 0.000 0.446 1758 S N -0.300 115.403 115.700 0.005 0.000 2.345 1758 S HA -0.122 4.348 4.470 0.000 0.000 0.220 1758 S C 1.892 176.503 174.600 0.019 0.000 1.031 1758 S CA 1.500 59.704 58.200 0.007 0.000 0.996 1758 S CB -0.443 62.759 63.200 0.003 0.000 0.882 1758 S HN 0.342 nan 8.310 nan 0.000 0.445 1759 V N 1.361 121.292 119.914 0.029 0.000 2.594 1759 V HA -0.141 3.980 4.120 0.000 0.000 0.253 1759 V C 2.455 178.590 176.094 0.070 0.000 1.069 1759 V CA 1.714 64.048 62.300 0.056 0.000 1.082 1759 V CB -0.847 31.017 31.823 0.069 0.000 0.680 1759 V HN 0.452 nan 8.190 nan 0.000 0.469 1760 S N -0.078 115.654 115.700 0.053 0.000 2.356 1760 S HA -0.246 4.224 4.470 0.000 0.000 0.223 1760 S C 2.207 176.824 174.600 0.028 0.000 1.032 1760 S CA 2.001 60.231 58.200 0.049 0.000 1.005 1760 S CB -0.225 62.997 63.200 0.037 0.000 0.867 1760 S HN 0.595 nan 8.310 nan 0.000 0.449 1761 R N 1.442 121.949 120.500 0.012 0.000 2.070 1761 R HA 0.030 4.370 4.340 0.000 0.000 0.233 1761 R C 2.194 178.490 176.300 -0.007 0.000 1.137 1761 R CA 1.914 58.007 56.100 -0.012 0.000 0.945 1761 R CB -1.219 29.068 30.300 -0.022 0.000 0.845 1761 R HN 0.322 nan 8.270 nan 0.000 0.430 1762 Q N 0.368 120.175 119.800 0.012 0.000 2.234 1762 Q HA -0.089 4.251 4.340 0.000 0.000 0.206 1762 Q C 2.028 178.046 176.000 0.031 0.000 0.980 1762 Q CA 1.913 57.728 55.803 0.020 0.000 0.869 1762 Q CB -0.220 28.537 28.738 0.032 0.000 0.912 1762 Q HN 0.642 nan 8.270 nan 0.000 0.436 1763 S N -0.480 115.247 115.700 0.044 0.000 2.398 1763 S HA -0.029 4.442 4.470 0.000 0.000 0.220 1763 S C 1.937 176.550 174.600 0.022 0.000 1.046 1763 S CA 1.197 59.425 58.200 0.047 0.000 0.953 1763 S CB -0.202 63.048 63.200 0.083 0.000 0.856 1763 S HN 0.406 nan 8.310 nan 0.000 0.506 1764 T N -3.888 110.677 114.554 0.018 0.000 2.975 1764 T HA 0.375 4.726 4.350 0.000 0.000 0.261 1764 T C 0.947 175.647 174.700 -0.001 0.000 0.984 1764 T CA 0.791 62.898 62.100 0.011 0.000 0.911 1764 T CB 0.198 69.077 68.868 0.017 0.000 1.127 1764 T HN 0.364 nan 8.240 nan 0.000 0.514 1765 T N 0.441 114.981 114.554 -0.023 0.000 13.126 1765 T HA -0.195 4.155 4.350 0.000 0.000 0.416 1765 T C 0.159 174.833 174.700 -0.044 0.000 1.468 1765 T CA 1.487 63.542 62.100 -0.075 0.000 2.402 1765 T CB -1.840 66.930 68.868 -0.162 0.000 2.777 1765 T HN 1.087 nan 8.240 nan 0.000 0.620 1766 S N 0.929 116.625 115.700 -0.005 0.000 2.622 1766 S HA 0.536 5.006 4.470 0.000 0.000 0.275 1766 S C -3.135 171.494 174.600 0.049 0.000 1.112 1766 S CA -0.584 57.629 58.200 0.021 0.000 0.837 1766 S CB 1.813 65.026 63.200 0.022 0.000 1.082 1766 S HN 0.338 nan 8.310 nan 0.000 0.456 1767 P HA 0.225 nan 4.420 nan 0.000 0.276 1767 P C -0.713 176.635 177.300 0.080 0.000 1.261 1767 P CA -0.295 62.843 63.100 0.064 0.000 0.800 1767 P CB 0.227 31.966 31.700 0.065 0.000 1.066 1768 D N -0.231 120.220 120.400 0.086 0.000 2.667 1768 D HA -0.063 4.577 4.640 0.000 0.000 0.226 1768 D C 0.844 177.214 176.300 0.118 0.000 1.137 1768 D CA 0.935 54.993 54.000 0.098 0.000 0.855 1768 D CB 0.708 41.567 40.800 0.098 0.000 1.194 1768 D HN 0.271 nan 8.370 nan 0.000 0.492 1769 T N 3.514 118.154 114.554 0.144 0.000 3.031 1769 T HA -0.016 4.334 4.350 0.000 0.000 0.254 1769 T C 1.932 176.822 174.700 0.317 0.000 1.060 1769 T CA 0.077 62.293 62.100 0.193 0.000 1.135 1769 T CB 0.216 69.219 68.868 0.225 0.000 0.896 1769 T HN 0.315 nan 8.240 nan 0.000 0.472 1770 I N 2.237 122.966 120.570 0.264 0.000 2.163 1770 I HA -0.043 4.127 4.170 0.000 0.000 0.240 1770 I C 2.772 179.110 176.117 0.368 0.000 1.081 1770 I CA 1.052 62.534 61.300 0.303 0.000 1.353 1770 I CB -0.758 37.350 38.000 0.180 0.000 1.054 1770 I HN 0.163 nan 8.210 nan 0.000 0.407 1771 A N -0.415 122.610 122.820 0.342 0.000 1.978 1771 A HA -0.265 4.056 4.320 0.000 0.000 0.220 1771 A C 2.259 179.977 177.584 0.222 0.000 1.170 1771 A CA 1.662 53.978 52.037 0.464 0.000 0.636 1771 A CB -0.662 18.606 19.000 0.448 0.000 0.810 1771 A HN 0.556 nan 8.150 nan 0.000 0.448 1772 Q N -2.029 117.828 119.800 0.095 0.000 2.172 1772 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 1772 Q C 1.843 177.716 176.000 -0.211 0.000 0.964 1772 Q CA 1.283 57.028 55.803 -0.096 0.000 0.855 1772 Q CB -0.161 28.454 28.738 -0.205 0.000 0.918 1772 Q HN 0.905 nan 8.270 nan 0.000 0.444 1773 W N 0.495 121.799 121.300 0.006 0.000 2.409 1773 W HA -0.080 4.580 4.660 0.000 0.000 0.299 1773 W C 2.502 178.963 176.519 -0.096 0.000 1.203 1773 W CA 0.956 58.281 57.345 -0.035 0.000 1.298 1773 W CB -0.229 29.226 29.460 -0.008 0.000 1.127 1773 W HN 0.123 nan 8.180 nan 0.000 0.528 1774 A N -0.117 122.767 122.820 0.106 0.000 1.883 1774 A HA -0.215 4.105 4.320 0.000 0.000 0.217 1774 A C 1.857 179.242 177.584 -0.331 0.000 1.186 1774 A CA 2.483 54.422 52.037 -0.162 0.000 0.624 1774 A CB -1.380 17.409 19.000 -0.351 0.000 0.822 1774 A HN 0.222 nan 8.150 nan 0.000 0.444 1775 T N 0.290 114.675 114.554 -0.283 0.000 2.720 1775 T HA -0.157 4.194 4.350 0.000 0.000 0.268 1775 T C 1.814 176.321 174.700 -0.323 0.000 1.037 1775 T CA 1.351 63.266 62.100 -0.309 0.000 1.144 1775 T CB -0.432 68.346 68.868 -0.151 0.000 0.864 1775 T HN 0.403 nan 8.240 nan 0.000 0.444 1776 L N 0.930 122.003 121.223 -0.251 0.000 2.042 1776 L HA -0.181 4.159 4.340 0.000 0.000 0.210 1776 L C 2.653 179.394 176.870 -0.215 0.000 1.076 1776 L CA 1.880 56.581 54.840 -0.231 0.000 0.749 1776 L CB -0.291 41.657 42.059 -0.186 0.000 0.893 1776 L HN 0.238 nan 8.230 nan 0.000 0.432 1777 E N 0.254 120.327 120.200 -0.211 0.000 2.153 1777 E HA -0.197 4.154 4.350 0.000 0.000 0.194 1777 E C 1.905 178.316 176.600 -0.315 0.000 0.988 1777 E CA 1.475 57.745 56.400 -0.217 0.000 0.811 1777 E CB -0.108 29.453 29.700 -0.232 0.000 0.746 1777 E HN 0.537 nan 8.360 nan 0.000 0.466 1778 A N 0.193 122.705 122.820 -0.515 0.000 1.968 1778 A HA -0.022 4.298 4.320 0.000 0.000 0.217 1778 A C 2.116 179.361 177.584 -0.564 0.000 1.169 1778 A CA 1.143 52.734 52.037 -0.744 0.000 0.638 1778 A CB -0.392 17.815 19.000 -1.322 0.000 0.812 1778 A HN 0.338 nan 8.150 nan 0.000 0.446 1779 L N -0.560 120.420 121.223 -0.405 0.000 2.307 1779 L HA -0.027 4.313 4.340 0.000 0.000 0.211 1779 L C 2.621 179.391 176.870 -0.167 0.000 1.099 1779 L CA 1.533 56.214 54.840 -0.265 0.000 0.816 1779 L CB -0.771 41.109 42.059 -0.298 0.000 0.952 1779 L HN 0.563 nan 8.230 nan 0.000 0.455 1780 T N -4.037 110.428 114.554 -0.148 0.000 3.031 1780 T HA -0.008 4.343 4.350 0.000 0.000 0.254 1780 T C 1.127 175.794 174.700 -0.055 0.000 1.060 1780 T CA -0.005 62.041 62.100 -0.089 0.000 1.135 1780 T CB -0.261 68.563 68.868 -0.074 0.000 0.896 1780 T HN 0.022 nan 8.240 nan 0.000 0.472 1781 N N 2.158 120.833 118.700 -0.042 0.000 2.663 1781 N HA 0.201 4.941 4.740 0.000 0.000 0.250 1781 N C 0.679 176.172 175.510 -0.028 0.000 1.129 1781 N CA -0.100 52.944 53.050 -0.010 0.000 0.995 1781 N CB 0.585 39.112 38.487 0.067 0.000 1.324 1781 N HN 0.514 nan 8.380 nan 0.000 0.512 1782 Q N 1.785 121.566 119.800 -0.031 0.000 1.732 1782 Q HA -0.154 4.186 4.340 0.000 0.000 0.350 1782 Q C 0.797 176.776 176.000 -0.035 0.000 0.976 1782 Q CA 1.546 57.337 55.803 -0.019 0.000 0.895 1782 Q CB -0.081 28.652 28.738 -0.008 0.000 0.934 1782 Q HN 0.508 nan 8.270 nan 0.000 0.413 1783 E N 0.280 120.460 120.200 -0.032 0.000 2.661 1783 E HA -0.379 3.972 4.350 0.000 0.000 0.250 1783 E C 1.570 178.117 176.600 -0.087 0.000 1.059 1783 E CA 2.347 58.719 56.400 -0.046 0.000 1.381 1783 E CB -0.829 28.843 29.700 -0.048 0.000 1.255 1783 E HN 0.520 nan 8.360 nan 0.000 0.469 1784 A N -0.584 122.135 122.820 -0.169 0.000 1.970 1784 A HA -0.005 4.315 4.320 0.000 0.000 0.216 1784 A C 2.212 179.568 177.584 -0.379 0.000 1.170 1784 A CA 1.528 53.354 52.037 -0.351 0.000 0.645 1784 A CB -0.071 18.558 19.000 -0.618 0.000 0.816 1784 A HN 0.204 nan 8.150 nan 0.000 0.447 1785 S N -0.969 114.620 115.700 -0.185 0.000 2.421 1785 S HA -0.009 4.461 4.470 0.000 0.000 0.224 1785 S C 2.106 176.805 174.600 0.165 0.000 1.035 1785 S CA 0.390 58.642 58.200 0.087 0.000 0.953 1785 S CB -0.251 63.054 63.200 0.175 0.000 0.810 1785 S HN 0.536 nan 8.310 nan 0.000 0.497 1786 R N 1.979 122.524 120.500 0.075 0.000 2.080 1786 R HA -0.054 4.286 4.340 0.000 0.000 0.236 1786 R C 2.363 178.692 176.300 0.048 0.000 1.137 1786 R CA 1.650 57.792 56.100 0.070 0.000 0.943 1786 R CB -0.902 29.424 30.300 0.043 0.000 0.846 1786 R HN 0.379 nan 8.270 nan 0.000 0.431 1787 A N 0.455 123.286 122.820 0.018 0.000 1.903 1787 A HA -0.240 4.080 4.320 0.000 0.000 0.219 1787 A C 2.115 179.706 177.584 0.013 0.000 1.191 1787 A CA 1.743 53.780 52.037 -0.000 0.000 0.638 1787 A CB -0.917 18.069 19.000 -0.022 0.000 0.823 1787 A HN 0.518 nan 8.150 nan 0.000 0.451 1788 F N 0.152 120.056 119.950 -0.077 0.000 2.206 1788 F HA -0.071 4.456 4.527 0.001 0.000 0.298 1788 F C 2.206 177.956 175.800 -0.085 0.000 1.090 1788 F CA 1.593 59.544 58.000 -0.082 0.000 1.323 1788 F CB -0.277 38.715 39.000 -0.014 0.000 1.028 1788 F HN 0.027 nan 8.300 nan 0.000 0.492 1789 V N 1.427 121.338 119.914 -0.005 0.000 2.220 1789 V HA -0.309 3.811 4.120 0.000 0.000 0.246 1789 V C 2.505 178.492 176.094 -0.179 0.000 1.049 1789 V CA 2.392 64.633 62.300 -0.098 0.000 1.003 1789 V CB -0.713 31.125 31.823 0.024 0.000 0.634 1789 V HN 0.356 nan 8.190 nan 0.000 0.444 1790 E N -0.240 119.905 120.200 -0.091 0.000 2.070 1790 E HA -0.305 4.046 4.350 0.000 0.000 0.197 1790 E C 2.195 178.692 176.600 -0.171 0.000 1.004 1790 E CA 1.612 57.966 56.400 -0.077 0.000 0.805 1790 E CB -0.726 28.952 29.700 -0.036 0.000 0.744 1790 E HN 0.496 nan 8.360 nan 0.000 0.451 1791 M N 1.655 121.097 119.600 -0.263 0.000 2.082 1791 M HA -0.163 4.318 4.480 0.000 0.000 0.258 1791 M C 2.239 178.229 176.300 -0.518 0.000 1.069 1791 M CA 2.279 57.373 55.300 -0.343 0.000 1.102 1791 M CB -0.796 31.587 32.600 -0.362 0.000 1.336 1791 M HN 0.089 nan 8.290 nan 0.000 0.404 1792 A N 0.423 122.748 122.820 -0.825 0.000 1.873 1792 A HA -0.206 4.114 4.320 0.000 0.000 0.215 1792 A C 2.345 179.558 177.584 -0.618 0.000 1.186 1792 A CA 1.926 53.352 52.037 -1.017 0.000 0.616 1792 A CB -0.891 17.436 19.000 -1.121 0.000 0.823 1792 A HN 0.657 nan 8.150 nan 0.000 0.442 1793 R N -0.368 120.010 120.500 -0.203 0.000 2.119 1793 R HA -0.217 4.123 4.340 0.000 0.000 0.246 1793 R C 1.824 178.232 176.300 0.180 0.000 1.146 1793 R CA 1.971 58.186 56.100 0.193 0.000 0.962 1793 R CB -0.265 30.148 30.300 0.188 0.000 0.863 1793 R HN 0.505 nan 8.270 nan 0.000 0.442 1794 E N 0.055 120.256 120.200 0.001 0.000 2.106 1794 E HA -0.129 4.221 4.350 0.000 0.000 0.192 1794 E C 1.867 178.454 176.600 -0.022 0.000 0.984 1794 E CA 1.204 57.605 56.400 0.002 0.000 0.806 1794 E CB -0.255 29.428 29.700 -0.028 0.000 0.750 1794 E HN 0.497 nan 8.360 nan 0.000 0.458 1795 A N 0.244 123.016 122.820 -0.080 0.000 2.015 1795 A HA -0.149 4.171 4.320 0.000 0.000 0.219 1795 A C 1.972 179.589 177.584 0.055 0.000 1.163 1795 A CA 0.946 52.973 52.037 -0.015 0.000 0.646 1795 A CB -0.723 18.337 19.000 0.101 0.000 0.806 1795 A HN 0.303 nan 8.150 nan 0.000 0.448 1796 Y N -0.918 119.502 120.300 0.201 0.000 2.243 1796 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 1796 Y C 2.683 178.527 175.900 -0.094 0.000 1.124 1796 Y CA 1.097 59.343 58.100 0.242 0.000 1.159 1796 Y CB -0.110 38.661 38.460 0.518 0.000 1.008 1796 Y HN 0.281 nan 8.280 nan 0.000 0.527 1797 R N 1.202 121.616 120.500 -0.144 0.000 2.081 1797 R HA -0.162 4.179 4.340 0.000 0.000 0.235 1797 R C 2.171 178.317 176.300 -0.257 0.000 1.131 1797 R CA 1.366 57.196 56.100 -0.449 0.000 0.960 1797 R CB -0.207 29.950 30.300 -0.238 0.000 0.856 1797 R HN 0.271 nan 8.270 nan 0.000 0.436 1798 R N 0.073 120.501 120.500 -0.120 0.000 2.091 1798 R HA -0.113 4.228 4.340 0.000 0.000 0.238 1798 R C 2.508 178.741 176.300 -0.112 0.000 1.136 1798 R CA 1.930 57.975 56.100 -0.092 0.000 0.959 1798 R CB -0.225 30.049 30.300 -0.043 0.000 0.856 1798 R HN 0.295 nan 8.270 nan 0.000 0.437 1799 R N -0.065 120.387 120.500 -0.080 0.000 2.092 1799 R HA -0.088 4.252 4.340 0.000 0.000 0.231 1799 R C 2.385 178.508 176.300 -0.294 0.000 1.119 1799 R CA 1.079 57.132 56.100 -0.078 0.000 0.970 1799 R CB -0.246 30.122 30.300 0.112 0.000 0.864 1799 R HN 0.188 nan 8.270 nan 0.000 0.440 1800 R N 1.220 121.367 120.500 -0.588 0.000 2.075 1800 R HA -0.165 4.176 4.340 0.000 0.000 0.230 1800 R C 1.277 177.321 176.300 -0.427 0.000 1.140 1800 R CA 2.191 57.739 56.100 -0.921 0.000 0.928 1800 R CB -0.282 29.462 30.300 -0.928 0.000 0.834 1800 R HN 0.082 nan 8.270 nan 0.000 0.429 1801 D N 1.261 121.483 120.400 -0.298 0.000 2.149 1801 D HA -0.224 4.417 4.640 0.000 0.000 0.194 1801 D C 1.825 178.048 176.300 -0.129 0.000 1.001 1801 D CA 1.046 54.943 54.000 -0.172 0.000 0.849 1801 D CB -0.382 40.339 40.800 -0.131 0.000 0.939 1801 D HN 0.252 nan 8.370 nan 0.000 0.449 1802 L N 0.493 121.638 121.223 -0.130 0.000 2.083 1802 L HA -0.102 4.239 4.340 0.000 0.000 0.209 1802 L C 2.048 178.868 176.870 -0.083 0.000 1.083 1802 L CA 1.212 55.998 54.840 -0.090 0.000 0.752 1802 L CB -0.598 41.414 42.059 -0.078 0.000 0.899 1802 L HN 0.116 nan 8.230 nan 0.000 0.433 1803 L N -0.344 120.813 121.223 -0.109 0.000 1.993 1803 L HA -0.220 4.120 4.340 0.000 0.000 0.206 1803 L C 2.717 179.564 176.870 -0.039 0.000 1.074 1803 L CA 1.210 56.009 54.840 -0.068 0.000 0.746 1803 L CB -0.382 41.634 42.059 -0.072 0.000 0.896 1803 L HN 0.256 nan 8.230 nan 0.000 0.435 1804 L N -0.044 121.139 121.223 -0.067 0.000 2.197 1804 L HA -0.300 4.040 4.340 0.000 0.000 0.215 1804 L C 2.432 179.296 176.870 -0.010 0.000 1.095 1804 L CA 1.478 56.301 54.840 -0.028 0.000 0.764 1804 L CB -0.479 41.548 42.059 -0.053 0.000 0.897 1804 L HN 0.499 nan 8.230 nan 0.000 0.436 1805 E N 0.202 120.387 120.200 -0.025 0.000 2.011 1805 E HA -0.129 4.222 4.350 0.000 0.000 0.191 1805 E C 2.182 178.783 176.600 0.002 0.000 0.979 1805 E CA 0.891 57.282 56.400 -0.014 0.000 0.822 1805 E CB -0.365 29.320 29.700 -0.026 0.000 0.782 1805 E HN 0.270 nan 8.360 nan 0.000 0.459 1806 G N 2.076 110.874 108.800 -0.004 0.000 2.550 1806 G HA2 -0.283 3.678 3.960 0.000 0.000 0.222 1806 G HA3 -0.283 3.678 3.960 0.000 0.000 0.222 1806 G C 1.628 176.556 174.900 0.047 0.000 1.113 1806 G CA 0.945 46.050 45.100 0.009 0.000 0.748 1806 G HN 0.256 nan 8.290 nan 0.000 0.585 1807 L N -0.114 121.146 121.223 0.062 0.000 2.005 1807 L HA -0.084 4.257 4.340 0.000 0.000 0.207 1807 L C 3.097 180.010 176.870 0.073 0.000 1.072 1807 L CA 1.998 56.901 54.840 0.105 0.000 0.744 1807 L CB -0.943 41.181 42.059 0.109 0.000 0.895 1807 L HN 0.235 nan 8.230 nan 0.000 0.433 1808 T N -0.332 114.251 114.554 0.048 0.000 2.881 1808 T HA -0.109 4.242 4.350 0.000 0.000 0.270 1808 T C 1.666 176.384 174.700 0.030 0.000 1.068 1808 T CA 1.128 63.249 62.100 0.035 0.000 1.131 1808 T CB -0.001 68.882 68.868 0.025 0.000 0.871 1808 T HN 0.449 nan 8.240 nan 0.000 0.479 1809 A N 0.097 122.935 122.820 0.030 0.000 2.119 1809 A HA 0.178 4.498 4.320 0.000 0.000 0.217 1809 A C 1.684 179.287 177.584 0.032 0.000 1.153 1809 A CA 0.870 52.922 52.037 0.025 0.000 0.692 1809 A CB -0.176 18.835 19.000 0.019 0.000 0.799 1809 A HN 0.435 nan 8.150 nan 0.000 0.458 1810 L N -1.653 119.598 121.223 0.046 0.000 2.693 1810 L HA 0.340 4.680 4.340 0.000 0.000 0.235 1810 L C 1.605 178.498 176.870 0.037 0.000 1.127 1810 L CA 1.004 55.874 54.840 0.051 0.000 0.914 1810 L CB 0.141 42.252 42.059 0.086 0.000 1.193 1810 L HN 0.490 nan 8.230 nan 0.000 0.502 1811 G N -0.098 108.722 108.800 0.032 0.000 2.162 1811 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 1811 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 1811 G C 0.362 175.274 174.900 0.020 0.000 0.976 1811 G CA 0.046 45.160 45.100 0.022 0.000 0.655 1811 G HN 0.241 nan 8.290 nan 0.000 0.533 1812 L N 0.302 121.544 121.223 0.032 0.000 2.361 1812 L HA 0.393 4.733 4.340 0.000 0.000 0.278 1812 L C 0.861 177.751 176.870 0.033 0.000 1.113 1812 L CA -0.517 54.337 54.840 0.023 0.000 0.849 1812 L CB 0.902 42.984 42.059 0.039 0.000 1.155 1812 L HN 0.033 nan 8.230 nan 0.000 0.452 1813 K N 2.770 123.180 120.400 0.017 0.000 2.185 1813 K HA 0.708 5.028 4.320 0.000 0.000 0.271 1813 K C -0.634 176.005 176.600 0.065 0.000 1.013 1813 K CA -0.004 56.303 56.287 0.033 0.000 0.943 1813 K CB 1.302 33.808 32.500 0.010 0.000 0.998 1813 K HN 0.694 nan 8.250 nan 0.000 0.468 1814 A N 1.857 124.738 122.820 0.102 0.000 2.590 1814 A HA 0.407 4.727 4.320 0.000 0.000 0.296 1814 A C -1.499 176.184 177.584 0.164 0.000 1.050 1814 A CA -0.818 51.310 52.037 0.152 0.000 0.697 1814 A CB 0.829 19.908 19.000 0.132 0.000 1.277 1814 A HN 0.376 nan 8.150 nan 0.000 0.411 1815 V N 2.165 122.212 119.914 0.223 0.000 2.785 1815 V HA 0.424 4.545 4.120 0.000 0.000 0.300 1815 V C 0.986 177.183 176.094 0.172 0.000 1.062 1815 V CA -0.482 61.953 62.300 0.226 0.000 1.029 1815 V CB 1.495 33.551 31.823 0.389 0.000 1.024 1815 V HN 0.853 nan 8.190 nan 0.000 0.477 1816 R N 5.860 126.447 120.500 0.146 0.000 2.210 1816 R HA 0.291 4.631 4.340 0.000 0.000 0.338 1816 R C -2.404 173.983 176.300 0.144 0.000 1.062 1816 R CA -1.289 54.880 56.100 0.116 0.000 0.902 1816 R CB 0.941 31.292 30.300 0.085 0.000 1.050 1816 R HN 0.523 nan 8.270 nan 0.000 0.461 1817 P HA 0.148 nan 4.420 nan 0.000 0.284 1817 P C -0.654 176.787 177.300 0.235 0.000 1.253 1817 P CA -0.370 62.847 63.100 0.196 0.000 0.800 1817 P CB 1.716 33.566 31.700 0.251 0.000 0.961 1818 S N 0.427 116.259 115.700 0.220 0.000 2.578 1818 S HA 0.425 4.895 4.470 0.000 0.000 0.231 1818 S C 0.682 175.393 174.600 0.184 0.000 0.994 1818 S CA -0.105 58.241 58.200 0.244 0.000 0.956 1818 S CB 0.381 63.678 63.200 0.160 0.000 0.870 1818 S HN 0.832 nan 8.310 nan 0.000 0.494 1819 G N -0.067 108.812 108.800 0.130 0.000 2.649 1819 G HA2 0.689 4.650 3.960 0.000 0.000 0.290 1819 G HA3 0.689 4.650 3.960 0.000 0.000 0.290 1819 G C -0.366 174.450 174.900 -0.139 0.000 1.426 1819 G CA 0.058 45.068 45.100 -0.149 0.000 0.794 1819 G HN 0.648 nan 8.290 nan 0.000 0.483 1820 A N -1.019 121.572 122.820 -0.382 0.000 6.069 1820 A HA 0.184 4.504 4.320 0.000 0.000 0.278 1820 A C 0.264 177.503 177.584 -0.575 0.000 2.017 1820 A CA 1.947 53.541 52.037 -0.738 0.000 0.717 1820 A CB -1.473 16.842 19.000 -1.142 0.000 1.159 1820 A HN 2.338 nan 8.150 nan 0.000 0.378 1821 F N -3.267 116.188 119.950 -0.825 0.000 2.677 1821 F HA 0.700 5.228 4.527 0.000 0.000 0.388 1821 F C -0.541 174.282 175.800 -1.628 0.000 1.400 1821 F CA -1.035 56.151 58.000 -1.357 0.000 1.162 1821 F CB -0.811 37.399 39.000 -1.317 0.000 1.135 1821 F HN 0.485 nan 8.300 nan 0.000 0.516 1822 Y N -0.846 119.296 120.300 -0.262 0.000 2.536 1822 Y HA 0.783 5.333 4.550 0.000 0.000 0.347 1822 Y C -0.595 175.363 175.900 0.096 0.000 1.000 1822 Y CA -1.845 56.195 58.100 -0.100 0.000 1.051 1822 Y CB 2.476 40.854 38.460 -0.136 0.000 1.259 1822 Y HN -0.113 nan 8.280 nan 0.000 0.468 1823 V N 3.508 123.586 119.914 0.274 0.000 2.577 1823 V HA 0.321 4.441 4.120 0.000 0.000 0.303 1823 V C -0.770 175.396 176.094 0.121 0.000 1.042 1823 V CA -0.871 61.562 62.300 0.222 0.000 0.872 1823 V CB 2.121 34.099 31.823 0.257 0.000 0.998 1823 V HN 0.624 nan 8.190 nan 0.000 0.423 1824 L N 5.749 127.009 121.223 0.061 0.000 2.261 1824 L HA 0.521 4.861 4.340 0.000 0.000 0.289 1824 L C -0.082 176.899 176.870 0.185 0.000 1.059 1824 L CA 0.048 54.904 54.840 0.025 0.000 0.816 1824 L CB 0.986 42.958 42.059 -0.146 0.000 1.191 1824 L HN 0.636 nan 8.230 nan 0.000 0.431 1825 M N 5.431 125.133 119.600 0.169 0.000 2.044 1825 M HA 0.169 4.649 4.480 0.000 0.000 0.333 1825 M C -0.285 176.046 176.300 0.051 0.000 1.004 1825 M CA -0.657 54.726 55.300 0.138 0.000 0.954 1825 M CB 0.957 33.613 32.600 0.094 0.000 1.468 1825 M HN 0.474 nan 8.290 nan 0.000 0.414 1826 D N 3.960 124.318 120.400 -0.069 0.000 2.581 1826 D HA -0.092 4.548 4.640 0.000 0.000 0.238 1826 D C 0.638 176.832 176.300 -0.178 0.000 1.145 1826 D CA 0.743 54.521 54.000 -0.369 0.000 0.866 1826 D CB 1.008 41.585 40.800 -0.372 0.000 1.151 1826 D HN 0.790 nan 8.370 nan 0.000 0.500 1827 T N 0.368 114.830 114.554 -0.154 0.000 3.144 1827 T HA -0.020 4.330 4.350 0.000 0.000 0.249 1827 T C 1.793 176.439 174.700 -0.090 0.000 1.089 1827 T CA 0.364 62.398 62.100 -0.110 0.000 0.989 1827 T CB 0.137 68.956 68.868 -0.082 0.000 0.992 1827 T HN 0.272 nan 8.240 nan 0.000 0.540 1828 S N 2.840 118.482 115.700 -0.097 0.000 2.408 1828 S HA -0.128 4.342 4.470 0.000 0.000 0.241 1828 S C -0.596 173.972 174.600 -0.052 0.000 1.080 1828 S CA 2.050 60.210 58.200 -0.067 0.000 1.109 1828 S CB -1.093 62.065 63.200 -0.069 0.000 0.966 1828 S HN 0.529 nan 8.310 nan 0.000 0.449 1829 P HA 0.072 nan 4.420 nan 0.000 0.212 1829 P C 1.407 178.677 177.300 -0.050 0.000 1.180 1829 P CA 0.880 63.952 63.100 -0.046 0.000 0.902 1829 P CB -0.116 31.556 31.700 -0.047 0.000 0.778 1830 I N -1.408 119.119 120.570 -0.072 0.000 2.300 1830 I HA -0.173 3.997 4.170 0.000 0.000 0.252 1830 I C 1.123 177.211 176.117 -0.048 0.000 1.119 1830 I CA 1.455 62.711 61.300 -0.073 0.000 1.384 1830 I CB -0.745 37.183 38.000 -0.121 0.000 1.062 1830 I HN -0.013 nan 8.210 nan 0.000 0.426 1831 A N -1.837 120.958 122.820 -0.042 0.000 2.522 1831 A HA 0.422 4.743 4.320 0.000 0.000 0.291 1831 A C -2.165 175.407 177.584 -0.020 0.000 1.039 1831 A CA -0.727 51.295 52.037 -0.025 0.000 0.643 1831 A CB -0.129 18.859 19.000 -0.019 0.000 1.310 1831 A HN -0.179 nan 8.150 nan 0.000 0.436 1832 P HA -0.086 nan 4.420 nan 0.000 0.213 1832 P C 0.187 177.492 177.300 0.007 0.000 1.170 1832 P CA 2.066 65.163 63.100 -0.005 0.000 0.898 1832 P CB -0.451 31.248 31.700 -0.002 0.000 0.787 1833 D N -0.858 119.553 120.400 0.019 0.000 2.506 1833 D HA 0.075 4.715 4.640 0.000 0.000 0.272 1833 D C 0.915 177.246 176.300 0.051 0.000 1.214 1833 D CA -0.444 53.585 54.000 0.048 0.000 1.067 1833 D CB 0.113 40.945 40.800 0.053 0.000 1.117 1833 D HN -0.058 nan 8.370 nan 0.000 0.578 1834 E N -0.741 119.512 120.200 0.089 0.000 2.216 1834 E HA 0.070 4.420 4.350 0.000 0.000 0.192 1834 E C 1.933 178.567 176.600 0.057 0.000 0.973 1834 E CA 0.213 56.658 56.400 0.075 0.000 0.851 1834 E CB -0.285 29.481 29.700 0.110 0.000 0.804 1834 E HN 0.257 nan 8.360 nan 0.000 0.477 1835 V N 1.233 121.188 119.914 0.068 0.000 2.216 1835 V HA -0.272 3.848 4.120 0.000 0.000 0.243 1835 V C 2.178 178.293 176.094 0.035 0.000 1.044 1835 V CA 2.083 64.416 62.300 0.055 0.000 0.995 1835 V CB -0.414 31.446 31.823 0.061 0.000 0.633 1835 V HN 0.090 nan 8.190 nan 0.000 0.446 1836 R N 0.188 120.705 120.500 0.028 0.000 2.120 1836 R HA -0.063 4.277 4.340 0.000 0.000 0.234 1836 R C 2.331 178.633 176.300 0.004 0.000 1.123 1836 R CA 1.394 57.503 56.100 0.015 0.000 0.975 1836 R CB -0.909 29.397 30.300 0.011 0.000 0.866 1836 R HN 0.567 nan 8.270 nan 0.000 0.446 1837 A N 0.756 123.574 122.820 -0.003 0.000 1.917 1837 A HA -0.202 4.119 4.320 0.000 0.000 0.219 1837 A C 2.319 179.886 177.584 -0.029 0.000 1.182 1837 A CA 1.947 53.967 52.037 -0.028 0.000 0.633 1837 A CB -0.888 18.090 19.000 -0.038 0.000 0.819 1837 A HN 0.407 nan 8.150 nan 0.000 0.448 1838 A N -0.607 122.210 122.820 -0.005 0.000 1.930 1838 A HA -0.122 4.199 4.320 0.000 0.000 0.217 1838 A C 1.926 179.519 177.584 0.015 0.000 1.175 1838 A CA 1.444 53.486 52.037 0.007 0.000 0.627 1838 A CB -0.436 18.580 19.000 0.027 0.000 0.815 1838 A HN 0.613 nan 8.150 nan 0.000 0.443 1839 E N -0.660 119.549 120.200 0.016 0.000 2.204 1839 E HA -0.121 4.229 4.350 0.000 0.000 0.194 1839 E C 2.243 178.851 176.600 0.014 0.000 0.989 1839 E CA 0.385 56.796 56.400 0.018 0.000 0.824 1839 E CB -0.084 29.627 29.700 0.018 0.000 0.756 1839 E HN 0.456 nan 8.360 nan 0.000 0.477 1840 R N 0.451 120.953 120.500 0.004 0.000 2.052 1840 R HA -0.003 4.337 4.340 0.000 0.000 0.226 1840 R C 2.526 178.829 176.300 0.006 0.000 1.145 1840 R CA 0.621 56.721 56.100 -0.000 0.000 0.952 1840 R CB -0.506 29.783 30.300 -0.017 0.000 0.847 1840 R HN 0.175 nan 8.270 nan 0.000 0.431 1841 L N 1.171 122.390 121.223 -0.008 0.000 2.187 1841 L HA -0.180 4.160 4.340 0.000 0.000 0.213 1841 L C 2.526 179.432 176.870 0.060 0.000 1.100 1841 L CA 0.785 55.633 54.840 0.012 0.000 0.765 1841 L CB -0.302 41.734 42.059 -0.038 0.000 0.904 1841 L HN 0.252 nan 8.230 nan 0.000 0.437 1842 L N -0.400 120.851 121.223 0.046 0.000 2.156 1842 L HA -0.137 4.204 4.340 0.000 0.000 0.208 1842 L C 2.631 179.529 176.870 0.047 0.000 1.095 1842 L CA 1.263 56.135 54.840 0.052 0.000 0.770 1842 L CB -0.345 41.739 42.059 0.041 0.000 0.914 1842 L HN 0.373 nan 8.230 nan 0.000 0.439 1843 E N 0.392 120.615 120.200 0.038 0.000 2.031 1843 E HA -0.209 4.141 4.350 0.000 0.000 0.193 1843 E C 2.079 178.705 176.600 0.043 0.000 0.994 1843 E CA 1.314 57.734 56.400 0.034 0.000 0.800 1843 E CB -0.333 29.383 29.700 0.027 0.000 0.752 1843 E HN 0.465 nan 8.360 nan 0.000 0.447 1844 A N 0.560 123.414 122.820 0.056 0.000 2.186 1844 A HA 0.013 4.334 4.320 0.000 0.000 0.219 1844 A C 1.668 179.298 177.584 0.077 0.000 1.159 1844 A CA 1.595 53.676 52.037 0.074 0.000 0.680 1844 A CB -0.580 18.486 19.000 0.109 0.000 0.787 1844 A HN 0.397 nan 8.150 nan 0.000 0.467 1845 G N -2.440 106.403 108.800 0.071 0.000 2.167 1845 G HA2 0.001 3.962 3.960 0.000 0.000 0.194 1845 G HA3 0.001 3.962 3.960 0.000 0.000 0.194 1845 G C -0.266 174.679 174.900 0.075 0.000 1.027 1845 G CA -0.119 45.016 45.100 0.059 0.000 0.717 1845 G HN 1.108 nan 8.290 nan 0.000 0.501 1846 V N -0.131 119.848 119.914 0.108 0.000 2.567 1846 V HA 0.784 4.905 4.120 0.000 0.000 0.298 1846 V C 0.417 176.586 176.094 0.125 0.000 1.047 1846 V CA -0.534 61.851 62.300 0.141 0.000 0.880 1846 V CB 1.607 33.604 31.823 0.289 0.000 1.009 1846 V HN 1.363 nan 8.190 nan 0.000 0.429 1847 A N 5.214 128.092 122.820 0.097 0.000 2.309 1847 A HA 0.831 5.151 4.320 0.000 0.000 0.290 1847 A C -0.174 177.470 177.584 0.100 0.000 1.206 1847 A CA -0.315 51.772 52.037 0.083 0.000 0.850 1847 A CB 0.592 19.630 19.000 0.063 0.000 1.118 1847 A HN 1.310 nan 8.150 nan 0.000 0.523 1848 V N 0.796 120.767 119.914 0.094 0.000 3.040 1848 V HA 0.742 4.862 4.120 0.000 0.000 0.312 1848 V C -0.271 175.871 176.094 0.080 0.000 1.115 1848 V CA -0.951 61.406 62.300 0.095 0.000 0.998 1848 V CB 1.598 33.475 31.823 0.090 0.000 1.042 1848 V HN 0.484 nan 8.190 nan 0.000 0.433 1849 V N 2.857 122.818 119.914 0.078 0.000 2.350 1849 V HA 0.403 4.523 4.120 0.000 0.000 0.276 1849 V C -2.312 173.827 176.094 0.075 0.000 1.028 1849 V CA -1.704 60.658 62.300 0.103 0.000 0.860 1849 V CB 1.293 33.210 31.823 0.156 0.000 0.990 1849 V HN 0.838 nan 8.190 nan 0.000 0.453 1850 P HA 0.130 nan 4.420 nan 0.000 0.268 1850 P C 0.847 178.218 177.300 0.119 0.000 1.204 1850 P CA 0.120 63.269 63.100 0.082 0.000 0.768 1850 P CB 0.726 32.476 31.700 0.084 0.000 0.842 1851 G N 1.825 110.648 108.800 0.038 0.000 3.279 1851 G HA2 -0.056 3.904 3.960 0.000 0.000 0.230 1851 G HA3 -0.056 3.904 3.960 0.000 0.000 0.230 1851 G C 0.973 175.853 174.900 -0.032 0.000 1.230 1851 G CA 0.065 45.174 45.100 0.016 0.000 0.891 1851 G HN 0.362 nan 8.290 nan 0.000 0.518 1852 T N 0.283 114.822 114.554 -0.024 0.000 2.777 1852 T HA -0.094 4.256 4.350 0.000 0.000 0.266 1852 T C 1.755 176.290 174.700 -0.274 0.000 1.040 1852 T CA 1.145 63.123 62.100 -0.203 0.000 1.141 1852 T CB -0.027 68.861 68.868 0.033 0.000 0.868 1852 T HN 0.270 nan 8.240 nan 0.000 0.444 1853 D N 0.236 120.585 120.400 -0.086 0.000 2.323 1853 D HA 0.055 4.695 4.640 0.000 0.000 0.209 1853 D C 1.016 177.190 176.300 -0.210 0.000 0.973 1853 D CA 0.562 54.464 54.000 -0.164 0.000 0.874 1853 D CB -0.013 40.644 40.800 -0.238 0.000 0.930 1853 D HN 0.400 nan 8.370 nan 0.000 0.521 1854 F N 0.530 120.344 119.950 -0.226 0.000 2.797 1854 F HA 0.281 4.808 4.527 0.000 0.000 0.302 1854 F C 1.517 176.957 175.800 -0.600 0.000 1.130 1854 F CA 0.127 57.966 58.000 -0.269 0.000 1.387 1854 F CB -0.047 38.817 39.000 -0.228 0.000 1.107 1854 F HN -0.141 nan 8.300 nan 0.000 0.577 1855 A N 0.280 122.836 122.820 -0.441 0.000 2.969 1855 A HA -0.033 4.287 4.320 0.000 0.000 0.252 1855 A C 0.807 178.127 177.584 -0.439 0.000 1.377 1855 A CA 0.577 52.268 52.037 -0.575 0.000 0.859 1855 A CB -2.043 16.587 19.000 -0.617 0.000 1.077 1855 A HN 0.687 nan 8.150 nan 0.000 0.671 1856 A N -0.160 122.418 122.820 -0.403 0.000 3.215 1856 A HA 0.660 4.981 4.320 0.000 0.000 0.320 1856 A C -0.001 177.521 177.584 -0.103 0.000 1.084 1856 A CA -0.462 51.431 52.037 -0.240 0.000 0.969 1856 A CB -0.404 18.420 19.000 -0.294 0.000 1.064 1856 A HN 0.790 nan 8.150 nan 0.000 0.513 1857 F N 0.204 120.212 119.950 0.096 0.000 2.545 1857 F HA 0.375 4.902 4.527 0.000 0.000 0.348 1857 F C 1.791 177.722 175.800 0.219 0.000 1.163 1857 F CA 1.838 59.914 58.000 0.127 0.000 1.331 1857 F CB 0.692 39.744 39.000 0.087 0.000 1.138 1857 F HN 0.653 nan 8.300 nan 0.000 0.602 1858 G N 0.545 109.552 108.800 0.346 0.000 2.550 1858 G HA2 -0.306 3.654 3.960 0.000 0.000 0.233 1858 G HA3 -0.306 3.654 3.960 0.000 0.000 0.233 1858 G C 0.129 175.072 174.900 0.073 0.000 1.170 1858 G CA 0.306 45.506 45.100 0.167 0.000 0.693 1858 G HN 0.732 nan 8.290 nan 0.000 0.512 1859 H N -0.624 118.479 119.070 0.056 0.000 2.490 1859 H HA 0.787 5.343 4.556 0.000 0.000 0.354 1859 H C 0.160 175.470 175.328 -0.029 0.000 1.365 1859 H CA 0.057 56.109 56.048 0.007 0.000 1.413 1859 H CB 1.438 31.196 29.762 -0.007 0.000 1.631 1859 H HN 0.486 nan 8.280 nan 0.000 0.607 1860 V N 0.038 120.011 119.914 0.099 0.000 2.888 1860 V HA 0.337 4.457 4.120 0.000 0.000 0.309 1860 V C -0.977 175.097 176.094 -0.033 0.000 1.114 1860 V CA -0.910 61.395 62.300 0.008 0.000 0.940 1860 V CB 2.034 33.855 31.823 -0.004 0.000 1.021 1860 V HN 0.700 nan 8.190 nan 0.000 0.426 1861 R N 5.076 125.505 120.500 -0.119 0.000 2.229 1861 R HA 0.664 5.005 4.340 0.000 0.000 0.332 1861 R C -1.603 174.698 176.300 0.001 0.000 0.989 1861 R CA -0.487 55.521 56.100 -0.153 0.000 0.842 1861 R CB 1.003 31.023 30.300 -0.467 0.000 1.119 1861 R HN 0.584 nan 8.270 nan 0.000 0.456 1862 L N 1.192 122.468 121.223 0.088 0.000 2.342 1862 L HA 0.580 4.920 4.340 0.000 0.000 0.271 1862 L C -0.131 176.842 176.870 0.172 0.000 1.008 1862 L CA -0.696 54.233 54.840 0.148 0.000 0.818 1862 L CB 1.773 43.950 42.059 0.197 0.000 1.296 1862 L HN 0.337 nan 8.230 nan 0.000 0.427 1863 S N 0.499 116.270 115.700 0.120 0.000 2.451 1863 S HA 0.566 5.036 4.470 0.000 0.000 0.301 1863 S C -0.243 174.320 174.600 -0.061 0.000 1.116 1863 S CA -0.495 57.685 58.200 -0.034 0.000 1.093 1863 S CB 0.413 63.584 63.200 -0.048 0.000 1.017 1863 S HN 0.663 nan 8.310 nan 0.000 0.482 1864 Y N 2.770 123.020 120.300 -0.083 0.000 2.708 1864 Y HA 0.652 5.202 4.550 0.000 0.000 0.287 1864 Y C 1.067 176.894 175.900 -0.121 0.000 1.145 1864 Y CA -0.381 57.675 58.100 -0.073 0.000 1.249 1864 Y CB -0.552 37.894 38.460 -0.022 0.000 1.152 1864 Y HN 0.600 nan 8.280 nan 0.000 0.532 1865 A N -0.201 122.377 122.820 -0.402 0.000 2.251 1865 A HA 0.078 4.399 4.320 0.000 0.000 0.209 1865 A C 1.416 178.846 177.584 -0.257 0.000 1.187 1865 A CA 0.674 52.388 52.037 -0.537 0.000 0.823 1865 A CB -0.467 17.680 19.000 -1.421 0.000 0.846 1865 A HN 0.463 nan 8.150 nan 0.000 0.486 1866 T N -1.103 113.348 114.554 -0.173 0.000 2.793 1866 T HA 0.351 4.701 4.350 0.000 0.000 0.299 1866 T C 0.817 175.452 174.700 -0.109 0.000 1.038 1866 T CA 0.380 62.399 62.100 -0.135 0.000 0.948 1866 T CB 0.577 69.389 68.868 -0.093 0.000 1.231 1866 T HN 0.319 nan 8.240 nan 0.000 0.538 1867 S N -0.536 115.100 115.700 -0.106 0.000 2.572 1867 S HA 0.028 4.499 4.470 0.000 0.000 0.267 1867 S C 1.200 175.763 174.600 -0.061 0.000 1.361 1867 S CA 0.317 58.460 58.200 -0.095 0.000 1.009 1867 S CB 0.339 63.493 63.200 -0.077 0.000 0.888 1867 S HN 0.796 nan 8.310 nan 0.000 0.553 1868 E N 0.790 120.958 120.200 -0.053 0.000 2.086 1868 E HA -0.052 4.298 4.350 0.000 0.000 0.190 1868 E C 1.801 178.374 176.600 -0.045 0.000 0.975 1868 E CA 0.354 56.730 56.400 -0.039 0.000 0.813 1868 E CB -0.169 29.511 29.700 -0.033 0.000 0.768 1868 E HN 0.739 nan 8.360 nan 0.000 0.457 1869 E N 0.686 120.859 120.200 -0.044 0.000 2.130 1869 E HA -0.214 4.136 4.350 0.000 0.000 0.196 1869 E C 1.590 178.159 176.600 -0.052 0.000 0.998 1869 E CA 1.039 57.413 56.400 -0.043 0.000 0.806 1869 E CB -0.014 29.664 29.700 -0.037 0.000 0.738 1869 E HN 0.238 nan 8.360 nan 0.000 0.459 1870 N N 0.195 118.862 118.700 -0.055 0.000 2.250 1870 N HA -0.051 4.689 4.740 0.000 0.000 0.181 1870 N C 2.063 177.522 175.510 -0.085 0.000 1.017 1870 N CA 0.434 53.446 53.050 -0.063 0.000 0.866 1870 N CB -0.393 38.062 38.487 -0.055 0.000 0.985 1870 N HN 0.180 nan 8.380 nan 0.000 0.429 1871 L N 0.686 121.863 121.223 -0.077 0.000 2.079 1871 L HA -0.108 4.232 4.340 0.000 0.000 0.210 1871 L C 2.441 179.223 176.870 -0.148 0.000 1.081 1871 L CA 1.089 55.871 54.840 -0.098 0.000 0.752 1871 L CB -0.251 41.775 42.059 -0.055 0.000 0.896 1871 L HN 0.151 nan 8.230 nan 0.000 0.433 1872 R N 0.248 120.682 120.500 -0.110 0.000 2.066 1872 R HA -0.165 4.175 4.340 0.000 0.000 0.232 1872 R C 2.281 178.507 176.300 -0.124 0.000 1.131 1872 R CA 1.120 57.154 56.100 -0.110 0.000 0.955 1872 R CB -0.305 29.952 30.300 -0.072 0.000 0.851 1872 R HN 0.296 nan 8.270 nan 0.000 0.432 1873 K N 0.465 120.803 120.400 -0.104 0.000 2.209 1873 K HA -0.095 4.225 4.320 0.000 0.000 0.204 1873 K C 1.872 178.395 176.600 -0.129 0.000 1.048 1873 K CA 1.212 57.446 56.287 -0.089 0.000 0.940 1873 K CB 0.056 32.519 32.500 -0.061 0.000 0.729 1873 K HN 0.128 nan 8.250 nan 0.000 0.451 1874 A N 0.962 123.655 122.820 -0.211 0.000 1.855 1874 A HA -0.033 4.287 4.320 0.000 0.000 0.213 1874 A C 1.943 179.139 177.584 -0.647 0.000 1.195 1874 A CA 0.726 52.541 52.037 -0.370 0.000 0.610 1874 A CB -0.553 18.201 19.000 -0.410 0.000 0.837 1874 A HN 0.266 nan 8.150 nan 0.000 0.444 1875 L N -0.055 120.811 121.223 -0.594 0.000 2.351 1875 L HA -0.226 4.114 4.340 0.000 0.000 0.220 1875 L C 2.472 179.230 176.870 -0.187 0.000 1.127 1875 L CA 1.735 56.294 54.840 -0.469 0.000 0.786 1875 L CB -0.280 41.634 42.059 -0.242 0.000 0.914 1875 L HN 0.644 nan 8.230 nan 0.000 0.443 1876 E N -0.215 119.902 120.200 -0.138 0.000 2.140 1876 E HA -0.126 4.225 4.350 0.000 0.000 0.191 1876 E C 2.194 178.807 176.600 0.021 0.000 0.973 1876 E CA 0.183 56.561 56.400 -0.038 0.000 0.829 1876 E CB 0.257 29.934 29.700 -0.037 0.000 0.781 1876 E HN 0.359 nan 8.360 nan 0.000 0.466 1877 R N 0.177 120.692 120.500 0.025 0.000 2.092 1877 R HA -0.074 4.266 4.340 0.000 0.000 0.231 1877 R C 2.285 178.739 176.300 0.256 0.000 1.119 1877 R CA 0.902 57.073 56.100 0.118 0.000 0.970 1877 R CB -0.991 29.387 30.300 0.131 0.000 0.864 1877 R HN 0.331 nan 8.270 nan 0.000 0.440 1878 F N 1.615 121.571 119.950 0.009 0.000 2.126 1878 F HA -0.252 4.275 4.527 0.000 0.000 0.299 1878 F C 2.738 178.542 175.800 0.008 0.000 1.096 1878 F CA 0.477 58.483 58.000 0.010 0.000 1.255 1878 F CB -0.341 38.666 39.000 0.011 0.000 0.997 1878 F HN 0.106 nan 8.300 nan 0.000 0.479 1879 A N 1.323 124.273 122.820 0.216 0.000 1.852 1879 A HA -0.289 4.032 4.320 0.000 0.000 0.217 1879 A C 2.135 179.768 177.584 0.081 0.000 1.215 1879 A CA 2.371 54.476 52.037 0.114 0.000 0.641 1879 A CB -1.080 17.962 19.000 0.071 0.000 0.838 1879 A HN 0.364 nan 8.150 nan 0.000 0.450 1880 R N -0.941 119.602 120.500 0.072 0.000 2.132 1880 R HA -0.156 4.185 4.340 0.000 0.000 0.233 1880 R C 1.931 178.258 176.300 0.046 0.000 1.125 1880 R CA 1.647 57.777 56.100 0.051 0.000 0.914 1880 R CB -1.422 28.907 30.300 0.048 0.000 0.845 1880 R HN 0.291 nan 8.270 nan 0.000 0.431 1881 V N 1.779 121.726 119.914 0.055 0.000 2.363 1881 V HA -0.202 3.919 4.120 0.000 0.000 0.254 1881 V C 1.746 177.848 176.094 0.012 0.000 1.074 1881 V CA 1.404 63.722 62.300 0.031 0.000 1.069 1881 V CB -0.460 31.381 31.823 0.031 0.000 0.659 1881 V HN 0.187 nan 8.190 nan 0.000 0.455 1882 L N 0.000 121.238 121.223 0.025 0.000 2.949 1882 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1882 L CA 0.000 54.848 54.840 0.013 0.000 0.813 1882 L CB 0.000 42.080 42.059 0.035 0.000 0.961 1882 L HN 0.000 nan 8.230 nan 0.000 0.502