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 1gc3_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 0.000 176.301 176.300 0.002 0.000 1.140 1501 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1501 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 1502 R N -0.309 120.192 120.500 0.002 0.000 2.739 1502 R HA 0.748 5.088 4.340 -0.000 0.000 0.271 1502 R C -1.136 175.166 176.300 0.002 0.000 1.010 1502 R CA -0.290 55.812 56.100 0.003 0.000 0.897 1502 R CB 2.422 32.724 30.300 0.003 0.000 1.236 1502 R HN 0.930 nan 8.270 nan 0.000 0.466 1503 G N 1.051 109.853 108.800 0.004 0.000 2.339 1503 G HA2 0.068 4.028 3.960 -0.000 0.000 0.381 1503 G HA3 0.068 4.028 3.960 -0.000 0.000 0.381 1503 G C -1.370 173.533 174.900 0.005 0.000 1.400 1503 G CA -1.076 44.026 45.100 0.004 0.000 1.002 1503 G HN 0.292 nan 8.290 nan 0.000 0.633 1504 L N 0.575 121.802 121.223 0.006 0.000 2.468 1504 L HA 0.540 4.880 4.340 -0.000 0.000 0.254 1504 L C 1.537 178.408 176.870 0.000 0.000 1.171 1504 L CA -0.365 54.480 54.840 0.009 0.000 0.809 1504 L CB 1.195 43.263 42.059 0.015 0.000 1.155 1504 L HN 0.892 nan 8.230 nan 0.000 0.473 1505 S N 0.212 115.912 115.700 0.000 0.000 2.580 1505 S HA 0.194 4.664 4.470 -0.000 0.000 0.274 1505 S C 0.917 175.497 174.600 -0.032 0.000 1.329 1505 S CA -0.694 57.492 58.200 -0.022 0.000 1.036 1505 S CB 1.698 64.880 63.200 -0.030 0.000 0.919 1505 S HN 0.578 nan 8.310 nan 0.000 0.515 1506 R N 1.744 122.214 120.500 -0.050 0.000 2.081 1506 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 1506 R C 2.585 178.841 176.300 -0.073 0.000 1.131 1506 R CA 1.826 57.895 56.100 -0.052 0.000 0.960 1506 R CB -0.465 29.800 30.300 -0.058 0.000 0.856 1506 R HN 0.956 nan 8.270 nan 0.000 0.436 1507 R N -0.497 119.921 120.500 -0.137 0.000 2.117 1507 R HA -0.094 4.245 4.340 -0.000 0.000 0.243 1507 R C 2.015 178.246 176.300 -0.115 0.000 1.143 1507 R CA 1.811 57.764 56.100 -0.245 0.000 0.968 1507 R CB -0.802 29.172 30.300 -0.544 0.000 0.863 1507 R HN 0.051 nan 8.270 nan 0.000 0.444 1508 V N 1.042 120.951 119.914 -0.008 0.000 2.535 1508 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 1508 V C 2.360 178.502 176.094 0.080 0.000 1.045 1508 V CA 1.477 63.859 62.300 0.137 0.000 1.058 1508 V CB -0.049 31.858 31.823 0.140 0.000 0.689 1508 V HN 0.418 nan 8.190 nan 0.000 0.461 1509 Q N -0.100 119.719 119.800 0.033 0.000 2.016 1509 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 1509 Q C 2.324 178.336 176.000 0.020 0.000 0.978 1509 Q CA 1.667 57.483 55.803 0.021 0.000 0.833 1509 Q CB -0.426 28.315 28.738 0.005 0.000 0.895 1509 Q HN 0.634 nan 8.270 nan 0.000 0.427 1510 A N 1.599 124.424 122.820 0.008 0.000 2.139 1510 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 1510 A C 1.318 178.917 177.584 0.024 0.000 1.159 1510 A CA 0.804 52.844 52.037 0.005 0.000 0.662 1510 A CB -0.835 18.153 19.000 -0.019 0.000 0.796 1510 A HN 0.503 nan 8.150 nan 0.000 0.463 1511 M N -0.259 119.375 119.600 0.056 0.000 2.233 1511 M HA 0.433 4.913 4.480 -0.000 0.000 0.355 1511 M C -0.142 176.177 176.300 0.032 0.000 1.191 1511 M CA -0.646 54.694 55.300 0.066 0.000 1.101 1511 M CB 0.894 33.581 32.600 0.145 0.000 1.592 1511 M HN 0.164 nan 8.290 nan 0.000 0.461 1512 K N 4.332 124.737 120.400 0.009 0.000 2.185 1512 K HA 0.524 4.844 4.320 -0.000 0.000 0.271 1512 K C -2.294 174.291 176.600 -0.024 0.000 1.013 1512 K CA -1.179 55.103 56.287 -0.009 0.000 0.943 1512 K CB 0.449 32.940 32.500 -0.016 0.000 0.998 1512 K HN 0.568 nan 8.250 nan 0.000 0.468 1513 P HA -0.014 nan 4.420 nan 0.000 0.272 1513 P C -0.936 176.336 177.300 -0.047 0.000 1.248 1513 P CA -0.137 62.947 63.100 -0.027 0.000 0.799 1513 P CB 0.316 32.007 31.700 -0.014 0.000 0.997 1514 D N -1.142 119.232 120.400 -0.045 0.000 2.317 1514 D HA 0.360 5.000 4.640 -0.000 0.000 0.234 1514 D C 1.232 177.507 176.300 -0.043 0.000 1.112 1514 D CA -0.266 53.698 54.000 -0.060 0.000 0.840 1514 D CB 1.194 41.962 40.800 -0.054 0.000 1.078 1514 D HN 0.319 nan 8.370 nan 0.000 0.486 1515 A N 3.246 126.024 122.820 -0.070 0.000 1.896 1515 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 1515 A C 2.097 179.692 177.584 0.018 0.000 1.206 1515 A CA 2.162 54.178 52.037 -0.034 0.000 0.647 1515 A CB -0.786 18.162 19.000 -0.088 0.000 0.828 1515 A HN 0.504 nan 8.150 nan 0.000 0.455 1516 V N -1.150 118.779 119.914 0.025 0.000 2.719 1516 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 1516 V C 2.233 178.358 176.094 0.051 0.000 1.065 1516 V CA 1.893 64.234 62.300 0.068 0.000 1.086 1516 V CB 0.223 32.116 31.823 0.116 0.000 0.700 1516 V HN 0.342 nan 8.190 nan 0.000 0.467 1517 V N 0.226 120.157 119.914 0.028 0.000 2.809 1517 V HA -0.012 4.108 4.120 -0.000 0.000 0.256 1517 V C 2.464 178.570 176.094 0.020 0.000 1.080 1517 V CA 1.764 64.078 62.300 0.023 0.000 1.102 1517 V CB -0.147 31.681 31.823 0.008 0.000 0.705 1517 V HN 0.647 nan 8.190 nan 0.000 0.475 1518 A N 0.007 122.839 122.820 0.019 0.000 1.832 1518 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 1518 A C 2.246 179.847 177.584 0.028 0.000 1.204 1518 A CA 1.970 54.019 52.037 0.019 0.000 0.606 1518 A CB -0.894 18.116 19.000 0.017 0.000 0.849 1518 A HN 0.471 nan 8.150 nan 0.000 0.445 1519 V N 0.869 120.806 119.914 0.038 0.000 2.453 1519 V HA -0.319 3.801 4.120 -0.000 0.000 0.252 1519 V C 2.132 178.251 176.094 0.041 0.000 1.068 1519 V CA 2.294 64.620 62.300 0.044 0.000 1.070 1519 V CB -1.482 30.376 31.823 0.059 0.000 0.664 1519 V HN 0.486 nan 8.190 nan 0.000 0.461 1520 N N 1.062 119.786 118.700 0.040 0.000 2.039 1520 N HA -0.077 4.663 4.740 -0.000 0.000 0.193 1520 N C 1.997 177.523 175.510 0.026 0.000 1.044 1520 N CA 1.970 55.041 53.050 0.035 0.000 0.847 1520 N CB -0.852 37.657 38.487 0.036 0.000 1.030 1520 N HN 0.508 nan 8.380 nan 0.000 0.422 1521 A N 0.906 123.740 122.820 0.022 0.000 1.865 1521 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 1521 A C 1.914 179.508 177.584 0.018 0.000 1.191 1521 A CA 1.709 53.756 52.037 0.017 0.000 0.623 1521 A CB -0.596 18.412 19.000 0.014 0.000 0.826 1521 A HN 0.183 nan 8.150 nan 0.000 0.444 1522 K N 0.405 120.817 120.400 0.020 0.000 2.664 1522 K HA 0.182 4.502 4.320 -0.000 0.000 0.193 1522 K C 0.980 177.594 176.600 0.023 0.000 1.028 1522 K CA 0.850 57.150 56.287 0.021 0.000 1.005 1522 K CB -0.781 31.733 32.500 0.023 0.000 0.815 1522 K HN 0.451 nan 8.250 nan 0.000 0.496 1523 A N 0.255 123.089 122.820 0.023 0.000 2.686 1523 A HA 0.206 4.526 4.320 -0.000 0.000 0.221 1523 A C 0.283 177.878 177.584 0.018 0.000 2.249 1523 A CA 0.171 52.222 52.037 0.023 0.000 1.005 1523 A CB -0.832 18.183 19.000 0.025 0.000 1.391 1523 A HN 0.385 nan 8.150 nan 0.000 0.536 1524 L N -0.320 120.913 121.223 0.015 0.000 5.365 1524 L HA 0.139 4.479 4.340 -0.000 0.000 0.319 1524 L C -1.044 175.832 176.870 0.010 0.000 1.574 1524 L CA 1.157 56.004 54.840 0.012 0.000 1.029 1524 L CB -1.462 40.603 42.059 0.010 0.000 1.490 1524 L HN 0.535 nan 8.230 nan 0.000 0.363 1525 E N 2.434 122.640 120.200 0.010 0.000 2.414 1525 E HA 0.298 4.648 4.350 -0.000 0.000 0.186 1525 E C -0.382 176.225 176.600 0.011 0.000 1.225 1525 E CA 0.149 56.555 56.400 0.009 0.000 0.429 1525 E CB -1.506 28.199 29.700 0.009 0.000 0.766 1525 E HN 0.461 nan 8.360 nan 0.000 0.433 1526 L N -1.222 120.008 121.223 0.011 0.000 1.268 1526 L HA -0.005 4.335 4.340 -0.000 0.000 0.041 1526 L C 1.784 178.661 176.870 0.012 0.000 1.580 1526 L CA 0.251 55.099 54.840 0.013 0.000 1.085 1526 L CB -0.809 41.260 42.059 0.017 0.000 2.141 1526 L HN 0.243 nan 8.230 nan 0.000 0.426 1527 R N 1.542 122.049 120.500 0.012 0.000 2.070 1527 R HA -0.054 4.286 4.340 -0.000 0.000 0.233 1527 R C 1.394 177.699 176.300 0.008 0.000 1.137 1527 R CA 1.745 57.851 56.100 0.010 0.000 0.945 1527 R CB -0.228 30.078 30.300 0.010 0.000 0.845 1527 R HN 0.122 nan 8.270 nan 0.000 0.430 1528 R N 1.056 121.560 120.500 0.008 0.000 4.980 1528 R HA 0.070 4.410 4.340 -0.000 0.000 0.190 1528 R C -0.710 175.594 176.300 0.006 0.000 2.095 1528 R CA 0.557 56.661 56.100 0.006 0.000 1.717 1528 R CB -0.686 29.617 30.300 0.006 0.000 1.337 1528 R HN 0.416 nan 8.270 nan 0.000 0.820 1529 Q N -0.874 118.930 119.800 0.006 0.000 3.734 1529 Q HA 0.060 4.400 4.340 -0.000 0.000 0.119 1529 Q C 0.077 176.081 176.000 0.006 0.000 0.637 1529 Q CA 0.328 56.135 55.803 0.006 0.000 0.956 1529 Q CB -0.643 28.099 28.738 0.006 0.000 1.506 1529 Q HN 0.455 nan 8.270 nan 0.000 0.394 1530 G N -0.229 108.574 108.800 0.005 0.000 4.890 1530 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.221 1530 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.221 1530 G C 0.026 174.930 174.900 0.006 0.000 1.472 1530 G CA -0.158 44.945 45.100 0.005 0.000 0.962 1530 G HN 0.757 nan 8.290 nan 0.000 0.671 1531 V N 4.433 124.352 119.914 0.008 0.000 2.691 1531 V HA 0.211 4.331 4.120 -0.000 0.000 0.262 1531 V C 0.752 176.852 176.094 0.010 0.000 0.954 1531 V CA 0.860 63.167 62.300 0.010 0.000 1.171 1531 V CB -0.711 31.120 31.823 0.013 0.000 0.957 1531 V HN 0.718 nan 8.190 nan 0.000 0.466 1532 D N 6.455 126.860 120.400 0.008 0.000 2.308 1532 D HA 0.393 5.033 4.640 -0.000 0.000 0.251 1532 D C -0.238 176.068 176.300 0.009 0.000 1.127 1532 D CA -0.455 53.549 54.000 0.006 0.000 0.876 1532 D CB 2.040 42.841 40.800 0.001 0.000 1.176 1532 D HN 0.377 nan 8.370 nan 0.000 0.446 1533 L N -0.465 120.764 121.223 0.010 0.000 2.235 1533 L HA 0.725 5.065 4.340 -0.000 0.000 0.260 1533 L C -0.632 176.243 176.870 0.007 0.000 1.025 1533 L CA -1.261 53.588 54.840 0.016 0.000 0.836 1533 L CB 0.971 43.046 42.059 0.027 0.000 1.395 1533 L HN 0.160 nan 8.230 nan 0.000 0.443 1534 V N 0.411 120.330 119.914 0.007 0.000 2.459 1534 V HA 0.714 4.834 4.120 -0.000 0.000 0.295 1534 V C 0.272 176.373 176.094 0.011 0.000 1.029 1534 V CA -0.436 61.858 62.300 -0.009 0.000 0.874 1534 V CB 1.359 33.158 31.823 -0.040 0.000 0.985 1534 V HN 0.954 nan 8.190 nan 0.000 0.438 1535 A N 5.274 128.099 122.820 0.008 0.000 2.316 1535 A HA 0.660 4.980 4.320 -0.000 0.000 0.324 1535 A C -0.065 177.534 177.584 0.026 0.000 1.375 1535 A CA -0.325 51.728 52.037 0.025 0.000 0.882 1535 A CB 0.287 19.302 19.000 0.025 0.000 1.152 1535 A HN 0.640 nan 8.150 nan 0.000 0.512 1536 L N 3.025 124.278 121.223 0.051 0.000 2.688 1536 L HA 0.072 4.412 4.340 -0.000 0.000 0.234 1536 L C 2.279 179.199 176.870 0.083 0.000 1.192 1536 L CA 1.458 56.332 54.840 0.058 0.000 0.984 1536 L CB -1.246 40.868 42.059 0.092 0.000 1.232 1536 L HN 0.847 nan 8.230 nan 0.000 0.465 1537 T N -3.231 111.371 114.554 0.080 0.000 3.072 1537 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 1537 T C 1.113 175.889 174.700 0.128 0.000 1.127 1537 T CA 0.366 62.529 62.100 0.104 0.000 1.107 1537 T CB -0.250 68.671 68.868 0.088 0.000 0.910 1537 T HN 0.288 nan 8.240 nan 0.000 0.513 1538 A N 0.811 123.684 122.820 0.088 0.000 2.592 1538 A HA 0.423 4.742 4.320 -0.000 0.000 0.250 1538 A C 1.551 179.267 177.584 0.220 0.000 1.017 1538 A CA 0.362 52.445 52.037 0.078 0.000 0.794 1538 A CB -0.465 18.496 19.000 -0.064 0.000 0.917 1538 A HN 0.598 nan 8.150 nan 0.000 0.515 1539 G N 1.796 110.743 108.800 0.246 0.000 2.743 1539 G HA2 0.239 4.199 3.960 -0.000 0.000 0.206 1539 G HA3 0.239 4.199 3.960 -0.000 0.000 0.206 1539 G C 0.417 175.559 174.900 0.403 0.000 1.115 1539 G CA 0.439 45.807 45.100 0.447 0.000 0.782 1539 G HN 0.891 nan 8.290 nan 0.000 0.524 1540 E N 1.692 121.981 120.200 0.149 0.000 2.248 1540 E HA 0.438 4.788 4.350 -0.000 0.000 0.272 1540 E C -2.757 173.766 176.600 -0.129 0.000 1.008 1540 E CA -2.410 54.043 56.400 0.089 0.000 0.856 1540 E CB 1.805 31.560 29.700 0.091 0.000 1.120 1540 E HN -0.017 nan 8.360 nan 0.000 0.397 1541 P HA -0.022 nan 4.420 nan 0.000 0.275 1541 P C 0.178 177.474 177.300 -0.006 0.000 1.227 1541 P CA -0.149 62.931 63.100 -0.035 0.000 0.781 1541 P CB 0.956 32.877 31.700 0.369 0.000 0.906 1542 D N 2.872 123.171 120.400 -0.170 0.000 2.149 1542 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 1542 D C 0.517 176.766 176.300 -0.085 0.000 0.990 1542 D CA 0.757 54.638 54.000 -0.197 0.000 0.839 1542 D CB -0.812 39.782 40.800 -0.343 0.000 0.948 1542 D HN 0.342 nan 8.370 nan 0.000 0.460 1543 F N 1.692 121.730 119.950 0.146 0.000 2.629 1543 F HA 0.001 4.528 4.527 -0.000 0.000 0.369 1543 F C 1.421 177.373 175.800 0.254 0.000 1.125 1543 F CA -0.314 57.817 58.000 0.218 0.000 1.330 1543 F CB 0.276 39.466 39.000 0.315 0.000 1.071 1543 F HN -0.153 nan 8.300 nan 0.000 0.595 1544 D N 1.177 121.841 120.400 0.441 0.000 2.312 1544 D HA 0.058 4.698 4.640 -0.000 0.000 0.248 1544 D C -0.063 176.403 176.300 0.277 0.000 1.086 1544 D CA -0.320 53.855 54.000 0.291 0.000 0.948 1544 D CB 1.374 42.301 40.800 0.213 0.000 1.162 1544 D HN 0.550 nan 8.370 nan 0.000 0.446 1545 T N 0.709 115.368 114.554 0.174 0.000 2.932 1545 T HA 0.256 4.606 4.350 -0.000 0.000 0.312 1545 T C -2.335 172.274 174.700 -0.152 0.000 1.071 1545 T CA -1.067 61.011 62.100 -0.036 0.000 1.128 1545 T CB 0.633 69.564 68.868 0.105 0.000 0.984 1545 T HN 0.139 nan 8.240 nan 0.000 0.549 1546 P HA 0.122 nan 4.420 nan 0.000 0.266 1546 P C 0.609 177.845 177.300 -0.107 0.000 1.195 1546 P CA -0.076 62.848 63.100 -0.294 0.000 0.768 1546 P CB 0.412 31.840 31.700 -0.453 0.000 0.838 1547 E N 2.762 122.988 120.200 0.043 0.000 2.160 1547 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 1547 E C 1.657 178.290 176.600 0.055 0.000 0.991 1547 E CA 1.602 58.035 56.400 0.056 0.000 0.810 1547 E CB -0.449 29.293 29.700 0.070 0.000 0.742 1547 E HN 0.552 nan 8.360 nan 0.000 0.466 1548 H N -1.017 117.990 119.070 -0.105 0.000 2.428 1548 H HA -0.014 4.542 4.556 -0.000 0.000 0.296 1548 H C 1.947 177.184 175.328 -0.152 0.000 1.062 1548 H CA 1.389 57.368 56.048 -0.115 0.000 1.350 1548 H CB -0.789 28.896 29.762 -0.127 0.000 1.403 1548 H HN 0.143 nan 8.280 nan 0.000 0.533 1549 V N 1.855 121.423 119.914 -0.578 0.000 2.270 1549 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 1549 V C 2.694 178.616 176.094 -0.286 0.000 1.043 1549 V CA 2.004 63.948 62.300 -0.594 0.000 1.014 1549 V CB -0.513 30.853 31.823 -0.762 0.000 0.645 1549 V HN 0.281 nan 8.190 nan 0.000 0.447 1550 K N -0.081 120.250 120.400 -0.115 0.000 2.044 1550 K HA -0.284 4.036 4.320 -0.000 0.000 0.210 1550 K C 2.255 178.898 176.600 0.072 0.000 1.049 1550 K CA 2.054 58.399 56.287 0.097 0.000 0.927 1550 K CB -0.242 32.327 32.500 0.115 0.000 0.713 1550 K HN 0.355 nan 8.250 nan 0.000 0.443 1551 E N 0.645 120.859 120.200 0.022 0.000 2.077 1551 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 1551 E C 1.803 178.410 176.600 0.012 0.000 0.989 1551 E CA 1.452 57.866 56.400 0.023 0.000 0.800 1551 E CB -0.204 29.510 29.700 0.023 0.000 0.746 1551 E HN 0.326 nan 8.360 nan 0.000 0.452 1552 A N 0.587 123.398 122.820 -0.016 0.000 1.940 1552 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1552 A C 2.381 179.983 177.584 0.030 0.000 1.176 1552 A CA 2.145 54.176 52.037 -0.010 0.000 0.631 1552 A CB -0.935 18.036 19.000 -0.048 0.000 0.814 1552 A HN 0.351 nan 8.150 nan 0.000 0.446 1553 A N -0.084 122.776 122.820 0.068 0.000 1.877 1553 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 1553 A C 2.224 179.869 177.584 0.102 0.000 1.186 1553 A CA 1.485 53.622 52.037 0.166 0.000 0.620 1553 A CB -0.521 18.704 19.000 0.375 0.000 0.822 1553 A HN 0.552 nan 8.150 nan 0.000 0.443 1554 R N -1.062 119.484 120.500 0.078 0.000 2.117 1554 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 1554 R C 2.448 178.749 176.300 0.002 0.000 1.143 1554 R CA 1.691 57.813 56.100 0.038 0.000 0.968 1554 R CB -0.294 30.025 30.300 0.032 0.000 0.863 1554 R HN 0.461 nan 8.270 nan 0.000 0.444 1555 R N 0.549 121.043 120.500 -0.010 0.000 2.073 1555 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 1555 R C 2.295 178.539 176.300 -0.093 0.000 1.134 1555 R CA 1.660 57.731 56.100 -0.049 0.000 0.952 1555 R CB -0.406 29.863 30.300 -0.052 0.000 0.850 1555 R HN 0.256 nan 8.270 nan 0.000 0.433 1556 A N 0.477 123.240 122.820 -0.095 0.000 1.908 1556 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 1556 A C 2.164 179.680 177.584 -0.112 0.000 1.181 1556 A CA 1.374 53.309 52.037 -0.172 0.000 0.627 1556 A CB -0.689 18.256 19.000 -0.093 0.000 0.818 1556 A HN 0.308 nan 8.150 nan 0.000 0.445 1557 L N -0.811 120.387 121.223 -0.041 0.000 2.012 1557 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 1557 L C 3.156 179.998 176.870 -0.048 0.000 1.073 1557 L CA 1.250 56.073 54.840 -0.028 0.000 0.748 1557 L CB -0.573 41.483 42.059 -0.006 0.000 0.891 1557 L HN 0.460 nan 8.230 nan 0.000 0.431 1558 A N -0.414 122.375 122.820 -0.052 0.000 1.883 1558 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 1558 A C 2.127 179.667 177.584 -0.073 0.000 1.186 1558 A CA 1.852 53.857 52.037 -0.054 0.000 0.624 1558 A CB -0.606 18.364 19.000 -0.050 0.000 0.822 1558 A HN 0.542 nan 8.150 nan 0.000 0.444 1559 Q N -1.491 118.243 119.800 -0.109 0.000 2.488 1559 Q HA 0.222 4.562 4.340 -0.000 0.000 0.211 1559 Q C 0.957 176.886 176.000 -0.118 0.000 0.967 1559 Q CA 0.393 56.117 55.803 -0.131 0.000 0.926 1559 Q CB -0.146 28.471 28.738 -0.201 0.000 0.992 1559 Q HN 0.973 nan 8.270 nan 0.000 0.506 1560 G N 1.747 110.488 108.800 -0.099 0.000 2.248 1560 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.263 1560 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.263 1560 G C -0.223 174.630 174.900 -0.079 0.000 1.082 1560 G CA -0.295 44.762 45.100 -0.072 0.000 0.863 1560 G HN 0.049 nan 8.290 nan 0.000 0.495 1561 K N 0.936 121.265 120.400 -0.117 0.000 2.751 1561 K HA 0.286 4.606 4.320 -0.000 0.000 0.252 1561 K C 1.278 177.892 176.600 0.024 0.000 1.277 1561 K CA 0.590 56.809 56.287 -0.114 0.000 1.226 1561 K CB 0.462 32.738 32.500 -0.373 0.000 1.658 1561 K HN 0.541 nan 8.250 nan 0.000 0.303 1562 T N -1.666 112.901 114.554 0.022 0.000 3.231 1562 T HA 0.238 4.588 4.350 -0.000 0.000 0.292 1562 T C 0.161 174.862 174.700 0.001 0.000 1.001 1562 T CA -0.324 61.789 62.100 0.023 0.000 0.920 1562 T CB 0.252 69.114 68.868 -0.010 0.000 1.140 1562 T HN -0.018 nan 8.240 nan 0.000 0.525 1563 K N 0.355 120.779 120.400 0.040 0.000 2.502 1563 K HA 0.537 4.857 4.320 -0.000 0.000 0.252 1563 K C -0.758 175.901 176.600 0.100 0.000 1.043 1563 K CA -0.976 55.323 56.287 0.020 0.000 0.999 1563 K CB 0.255 32.794 32.500 0.065 0.000 1.343 1563 K HN 0.272 nan 8.250 nan 0.000 0.513 1564 Y N 0.809 121.145 120.300 0.061 0.000 2.544 1564 Y HA 0.182 4.732 4.550 -0.000 0.000 0.330 1564 Y C 0.607 176.545 175.900 0.064 0.000 1.136 1564 Y CA -0.620 57.514 58.100 0.056 0.000 1.417 1564 Y CB 0.604 39.090 38.460 0.042 0.000 1.229 1564 Y HN 0.452 nan 8.280 nan 0.000 0.532 1565 A N 6.423 129.387 122.820 0.240 0.000 2.252 1565 A HA 0.609 4.929 4.320 -0.000 0.000 0.305 1565 A C -2.511 175.123 177.584 0.084 0.000 1.097 1565 A CA -1.895 50.225 52.037 0.137 0.000 0.849 1565 A CB 0.265 19.322 19.000 0.096 0.000 1.142 1565 A HN 0.481 nan 8.150 nan 0.000 0.499 1566 P HA 0.165 nan 4.420 nan 0.000 0.272 1566 P C -1.792 175.515 177.300 0.012 0.000 1.230 1566 P CA -1.102 62.008 63.100 0.016 0.000 0.788 1566 P CB 0.347 32.051 31.700 0.007 0.000 0.949 1567 P HA -0.206 nan 4.420 nan 0.000 0.216 1567 P C 0.711 178.020 177.300 0.014 0.000 1.150 1567 P CA 1.728 64.831 63.100 0.006 0.000 0.837 1567 P CB -0.204 31.494 31.700 -0.003 0.000 0.786 1568 A N -0.790 122.035 122.820 0.009 0.000 2.251 1568 A HA 0.492 4.812 4.320 -0.000 0.000 0.209 1568 A C 1.071 178.660 177.584 0.008 0.000 1.187 1568 A CA 0.653 52.697 52.037 0.012 0.000 0.823 1568 A CB -0.857 18.147 19.000 0.007 0.000 0.846 1568 A HN 0.446 nan 8.150 nan 0.000 0.486 1569 G N -0.396 108.403 108.800 -0.001 0.000 2.612 1569 G HA2 0.012 3.972 3.960 -0.000 0.000 0.686 1569 G HA3 0.012 3.972 3.960 -0.000 0.000 0.686 1569 G C -0.134 174.727 174.900 -0.065 0.000 1.274 1569 G CA -0.538 44.546 45.100 -0.026 0.000 0.849 1569 G HN 1.276 nan 8.290 nan 0.000 0.595 1570 I N -0.910 119.577 120.570 -0.139 0.000 2.752 1570 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 1570 I C -1.017 174.993 176.117 -0.178 0.000 1.188 1570 I CA -1.423 59.756 61.300 -0.201 0.000 1.427 1570 I CB 0.607 38.332 38.000 -0.457 0.000 1.365 1570 I HN 0.295 nan 8.210 nan 0.000 0.585 1571 P HA -0.189 nan 4.420 nan 0.000 0.213 1571 P C 1.194 178.426 177.300 -0.114 0.000 1.170 1571 P CA 1.684 64.734 63.100 -0.083 0.000 0.902 1571 P CB 0.124 31.801 31.700 -0.039 0.000 0.789 1572 E N -0.697 119.409 120.200 -0.156 0.000 2.114 1572 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 1572 E C 2.010 178.503 176.600 -0.179 0.000 1.008 1572 E CA 1.016 57.322 56.400 -0.155 0.000 0.810 1572 E CB -1.089 28.497 29.700 -0.190 0.000 0.739 1572 E HN 0.196 nan 8.360 nan 0.000 0.456 1573 L N 0.053 121.126 121.223 -0.250 0.000 2.131 1573 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 1573 L C 2.234 179.015 176.870 -0.149 0.000 1.087 1573 L CA 1.070 55.784 54.840 -0.211 0.000 0.767 1573 L CB -0.026 41.891 42.059 -0.236 0.000 0.917 1573 L HN 0.107 nan 8.230 nan 0.000 0.441 1574 R N -0.224 120.208 120.500 -0.114 0.000 2.081 1574 R HA -0.232 4.108 4.340 -0.000 0.000 0.235 1574 R C 2.084 178.352 176.300 -0.053 0.000 1.131 1574 R CA 1.694 57.757 56.100 -0.063 0.000 0.960 1574 R CB -0.273 30.003 30.300 -0.040 0.000 0.856 1574 R HN 0.445 nan 8.270 nan 0.000 0.436 1575 E N 0.756 120.920 120.200 -0.059 0.000 2.031 1575 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 1575 E C 1.912 178.481 176.600 -0.052 0.000 0.994 1575 E CA 1.282 57.657 56.400 -0.042 0.000 0.800 1575 E CB -0.062 29.616 29.700 -0.037 0.000 0.752 1575 E HN 0.350 nan 8.360 nan 0.000 0.447 1576 A N 0.702 123.474 122.820 -0.081 0.000 2.019 1576 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 1576 A C 2.035 179.535 177.584 -0.140 0.000 1.164 1576 A CA 0.796 52.774 52.037 -0.098 0.000 0.644 1576 A CB -0.393 18.539 19.000 -0.113 0.000 0.805 1576 A HN 0.311 nan 8.150 nan 0.000 0.449 1577 L N -0.322 120.803 121.223 -0.162 0.000 1.988 1577 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 1577 L C 2.928 179.753 176.870 -0.075 0.000 1.071 1577 L CA 2.059 56.759 54.840 -0.235 0.000 0.744 1577 L CB -1.382 40.573 42.059 -0.173 0.000 0.893 1577 L HN 0.382 nan 8.230 nan 0.000 0.433 1578 A N -0.986 121.861 122.820 0.045 0.000 2.032 1578 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 1578 A C 2.120 179.755 177.584 0.084 0.000 1.165 1578 A CA 1.880 53.990 52.037 0.122 0.000 0.645 1578 A CB -0.520 18.518 19.000 0.062 0.000 0.807 1578 A HN 0.614 nan 8.150 nan 0.000 0.453 1579 E N -0.546 119.659 120.200 0.009 0.000 2.072 1579 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 1579 E C 2.092 178.684 176.600 -0.013 0.000 0.982 1579 E CA 1.027 57.426 56.400 -0.001 0.000 0.803 1579 E CB -0.145 29.540 29.700 -0.024 0.000 0.755 1579 E HN 0.559 nan 8.360 nan 0.000 0.453 1580 K N 1.070 121.416 120.400 -0.090 0.000 2.148 1580 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 1580 K C 1.722 178.256 176.600 -0.110 0.000 1.050 1580 K CA 1.114 57.315 56.287 -0.144 0.000 0.942 1580 K CB -0.191 32.129 32.500 -0.299 0.000 0.724 1580 K HN 0.157 nan 8.250 nan 0.000 0.446 1581 F N 1.005 120.934 119.950 -0.035 0.000 2.325 1581 F HA -0.053 4.474 4.527 0.000 0.000 0.299 1581 F C 2.572 178.363 175.800 -0.015 0.000 1.090 1581 F CA 0.580 58.566 58.000 -0.022 0.000 1.392 1581 F CB 0.200 39.182 39.000 -0.030 0.000 1.053 1581 F HN 0.008 nan 8.300 nan 0.000 0.521 1582 R N -0.214 120.385 120.500 0.165 0.000 2.046 1582 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 1582 R C 2.175 178.519 176.300 0.075 0.000 1.179 1582 R CA 0.444 56.601 56.100 0.095 0.000 0.952 1582 R CB -0.614 29.723 30.300 0.062 0.000 0.843 1582 R HN 0.091 nan 8.270 nan 0.000 0.439 1583 R N 1.351 121.884 120.500 0.055 0.000 2.196 1583 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 1583 R C 2.087 178.423 176.300 0.059 0.000 1.113 1583 R CA 2.466 58.593 56.100 0.046 0.000 0.899 1583 R CB -0.286 30.032 30.300 0.030 0.000 0.863 1583 R HN 0.373 nan 8.270 nan 0.000 0.430 1584 E N -1.036 119.201 120.200 0.063 0.000 2.274 1584 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1584 E C 1.176 177.830 176.600 0.090 0.000 0.996 1584 E CA 1.150 57.598 56.400 0.080 0.000 0.840 1584 E CB -0.001 29.749 29.700 0.083 0.000 0.772 1584 E HN 0.532 nan 8.360 nan 0.000 0.491 1585 N N -1.140 117.623 118.700 0.104 0.000 2.257 1585 N HA 0.114 4.854 4.740 -0.000 0.000 0.200 1585 N C 0.874 176.406 175.510 0.038 0.000 1.163 1585 N CA 0.319 53.427 53.050 0.097 0.000 0.891 1585 N CB 1.597 40.197 38.487 0.189 0.000 1.067 1585 N HN 0.166 nan 8.380 nan 0.000 0.497 1586 G N 0.699 109.529 108.800 0.050 0.000 2.179 1586 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.260 1586 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.260 1586 G C -0.253 174.650 174.900 0.005 0.000 0.977 1586 G CA -0.047 45.068 45.100 0.026 0.000 0.641 1586 G HN 0.066 nan 8.290 nan 0.000 0.533 1587 L N 1.274 122.505 121.223 0.013 0.000 2.395 1587 L HA 0.615 4.955 4.340 -0.000 0.000 0.269 1587 L C 0.840 177.715 176.870 0.007 0.000 1.133 1587 L CA 0.437 55.262 54.840 -0.025 0.000 0.812 1587 L CB 1.858 43.872 42.059 -0.075 0.000 1.125 1587 L HN 0.082 nan 8.230 nan 0.000 0.452 1588 S N 1.439 117.132 115.700 -0.011 0.000 2.078 1588 S HA 0.390 4.860 4.470 -0.000 0.000 0.168 1588 S C -0.233 174.363 174.600 -0.007 0.000 1.542 1588 S CA -0.686 57.515 58.200 0.003 0.000 1.223 1588 S CB 0.265 63.467 63.200 0.003 0.000 1.152 1588 S HN 0.408 nan 8.310 nan 0.000 0.452 1589 V N -0.054 119.857 119.914 -0.006 0.000 3.109 1589 V HA 0.895 5.015 4.120 -0.000 0.000 0.317 1589 V C 0.265 176.363 176.094 0.007 0.000 1.074 1589 V CA -0.634 61.657 62.300 -0.016 0.000 1.033 1589 V CB 1.322 33.118 31.823 -0.046 0.000 1.111 1589 V HN 0.530 nan 8.190 nan 0.000 0.458 1590 T N -1.451 113.104 114.554 0.002 0.000 2.940 1590 T HA 0.599 4.949 4.350 -0.000 0.000 0.288 1590 T C -1.695 173.011 174.700 0.009 0.000 1.045 1590 T CA -1.726 60.378 62.100 0.007 0.000 1.018 1590 T CB 1.656 70.525 68.868 0.002 0.000 1.151 1590 T HN 0.574 nan 8.240 nan 0.000 0.529 1591 P HA -0.140 nan 4.420 nan 0.000 0.218 1591 P C 1.095 178.397 177.300 0.004 0.000 1.146 1591 P CA 1.190 64.293 63.100 0.006 0.000 0.813 1591 P CB 0.167 31.865 31.700 -0.004 0.000 0.778 1592 E N 0.331 120.531 120.200 0.000 0.000 2.208 1592 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 1592 E C 0.916 177.514 176.600 -0.004 0.000 0.988 1592 E CA 0.787 57.186 56.400 -0.002 0.000 0.828 1592 E CB -0.120 29.578 29.700 -0.003 0.000 0.763 1592 E HN 0.582 nan 8.360 nan 0.000 0.478 1593 E N 0.894 121.090 120.200 -0.007 0.000 2.336 1593 E HA 0.126 4.476 4.350 -0.000 0.000 0.214 1593 E C -0.308 176.281 176.600 -0.018 0.000 1.144 1593 E CA 0.007 56.395 56.400 -0.020 0.000 1.294 1593 E CB 0.595 30.276 29.700 -0.031 0.000 1.263 1593 E HN -0.148 nan 8.360 nan 0.000 0.439 1594 T N 1.143 115.702 114.554 0.009 0.000 2.933 1594 T HA 0.562 4.912 4.350 -0.000 0.000 0.305 1594 T C -1.336 173.394 174.700 0.049 0.000 1.092 1594 T CA -0.480 61.648 62.100 0.047 0.000 1.008 1594 T CB 1.725 70.636 68.868 0.073 0.000 1.102 1594 T HN 0.152 nan 8.240 nan 0.000 0.469 1595 I N 2.689 123.310 120.570 0.085 0.000 2.827 1595 I HA 0.688 4.858 4.170 -0.000 0.000 0.298 1595 I C -1.324 174.872 176.117 0.131 0.000 1.235 1595 I CA -0.953 60.394 61.300 0.077 0.000 1.021 1595 I CB 1.945 39.977 38.000 0.052 0.000 1.259 1595 I HN 0.414 nan 8.210 nan 0.000 0.427 1596 V N 7.157 127.134 119.914 0.104 0.000 2.275 1596 V HA 0.468 4.588 4.120 -0.000 0.000 0.272 1596 V C 0.111 176.262 176.094 0.096 0.000 1.028 1596 V CA 0.152 62.536 62.300 0.141 0.000 0.810 1596 V CB 1.166 33.060 31.823 0.117 0.000 1.043 1596 V HN 0.864 nan 8.190 nan 0.000 0.453 1597 T N 3.082 117.690 114.554 0.091 0.000 2.816 1597 T HA 0.428 4.778 4.350 -0.000 0.000 0.282 1597 T C 0.297 175.026 174.700 0.049 0.000 0.993 1597 T CA -0.513 61.625 62.100 0.062 0.000 0.994 1597 T CB 1.458 70.361 68.868 0.058 0.000 1.025 1597 T HN 0.540 nan 8.240 nan 0.000 0.529 1598 V N 2.417 122.357 119.914 0.043 0.000 2.054 1598 V HA 0.504 4.624 4.120 -0.000 0.000 0.243 1598 V C 1.311 177.419 176.094 0.024 0.000 1.480 1598 V CA 0.665 62.987 62.300 0.037 0.000 1.440 1598 V CB -1.586 30.253 31.823 0.027 0.000 1.489 1598 V HN 1.449 nan 8.190 nan 0.000 0.502 1599 G N 3.051 111.856 108.800 0.008 0.000 2.690 1599 G HA2 0.053 4.013 3.960 -0.000 0.000 0.686 1599 G HA3 0.053 4.013 3.960 -0.000 0.000 0.686 1599 G C 0.626 175.508 174.900 -0.031 0.000 1.277 1599 G CA -0.395 44.693 45.100 -0.019 0.000 0.799 1599 G HN 0.884 nan 8.290 nan 0.000 0.613 1600 G N -0.396 108.363 108.800 -0.069 0.000 2.498 1600 G HA2 0.114 4.074 3.960 -0.000 0.000 0.219 1600 G HA3 0.114 4.074 3.960 -0.000 0.000 0.219 1600 G C 1.946 176.884 174.900 0.063 0.000 1.119 1600 G CA 2.091 47.163 45.100 -0.046 0.000 0.766 1600 G HN 1.142 nan 8.290 nan 0.000 0.552 1601 S N 0.017 115.770 115.700 0.088 0.000 2.345 1601 S HA -0.138 4.332 4.470 -0.000 0.000 0.220 1601 S C 2.237 176.934 174.600 0.162 0.000 1.031 1601 S CA 1.448 59.748 58.200 0.166 0.000 0.996 1601 S CB -0.264 63.011 63.200 0.126 0.000 0.882 1601 S HN 0.596 nan 8.310 nan 0.000 0.445 1602 Q N 1.104 120.962 119.800 0.098 0.000 2.226 1602 Q HA -0.044 4.296 4.340 -0.000 0.000 0.204 1602 Q C 1.941 178.033 176.000 0.155 0.000 0.975 1602 Q CA 1.348 57.219 55.803 0.114 0.000 0.866 1602 Q CB -0.327 28.443 28.738 0.054 0.000 0.915 1602 Q HN 0.507 nan 8.270 nan 0.000 0.440 1603 A N 0.624 123.506 122.820 0.103 0.000 1.841 1603 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 1603 A C 2.033 179.646 177.584 0.048 0.000 1.195 1603 A CA 1.276 53.352 52.037 0.065 0.000 0.611 1603 A CB -0.831 18.193 19.000 0.041 0.000 0.835 1603 A HN 0.457 nan 8.150 nan 0.000 0.443 1604 L N -1.964 119.316 121.223 0.095 0.000 2.079 1604 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 1604 L C 2.441 179.384 176.870 0.123 0.000 1.081 1604 L CA 1.670 56.549 54.840 0.065 0.000 0.752 1604 L CB -0.454 41.793 42.059 0.314 0.000 0.896 1604 L HN 0.545 nan 8.230 nan 0.000 0.433 1605 F N 1.184 121.199 119.950 0.109 0.000 2.022 1605 F HA -0.223 4.304 4.527 -0.000 0.000 0.293 1605 F C 2.376 178.231 175.800 0.093 0.000 1.142 1605 F CA 1.772 59.854 58.000 0.137 0.000 1.177 1605 F CB -0.351 38.687 39.000 0.063 0.000 0.982 1605 F HN 0.062 nan 8.300 nan 0.000 0.473 1606 N N 1.002 119.865 118.700 0.272 0.000 2.247 1606 N HA -0.234 4.506 4.740 -0.000 0.000 0.189 1606 N C 1.977 177.459 175.510 -0.047 0.000 1.009 1606 N CA 1.358 54.476 53.050 0.114 0.000 0.872 1606 N CB -0.683 37.887 38.487 0.138 0.000 0.980 1606 N HN 0.450 nan 8.380 nan 0.000 0.436 1607 L N -0.563 120.589 121.223 -0.120 0.000 1.973 1607 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 1607 L C 1.536 178.269 176.870 -0.227 0.000 1.073 1607 L CA 1.298 55.990 54.840 -0.247 0.000 0.746 1607 L CB -0.426 41.380 42.059 -0.423 0.000 0.891 1607 L HN 0.039 nan 8.230 nan 0.000 0.433 1608 F N -0.126 119.742 119.950 -0.135 0.000 2.346 1608 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 1608 F C 2.655 178.341 175.800 -0.190 0.000 1.070 1608 F CA 0.565 58.472 58.000 -0.154 0.000 1.407 1608 F CB -0.078 38.837 39.000 -0.142 0.000 1.072 1608 F HN 0.329 nan 8.300 nan 0.000 0.543 1609 Q N -0.309 119.442 119.800 -0.081 0.000 2.250 1609 Q HA 0.044 4.384 4.340 -0.000 0.000 0.200 1609 Q C 2.492 178.458 176.000 -0.056 0.000 0.941 1609 Q CA 1.055 56.792 55.803 -0.109 0.000 0.872 1609 Q CB -0.268 28.373 28.738 -0.162 0.000 0.965 1609 Q HN 0.441 nan 8.270 nan 0.000 0.480 1610 A N 1.153 123.931 122.820 -0.070 0.000 1.930 1610 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 1610 A C 1.931 179.467 177.584 -0.080 0.000 1.176 1610 A CA 0.807 52.801 52.037 -0.071 0.000 0.632 1610 A CB -0.310 18.634 19.000 -0.094 0.000 0.819 1610 A HN 0.365 nan 8.150 nan 0.000 0.445 1611 I N -3.472 117.034 120.570 -0.106 0.000 4.785 1611 I HA 0.241 4.411 4.170 -0.000 0.000 0.227 1611 I C -0.014 176.104 176.117 0.001 0.000 0.968 1611 I CA -0.731 60.514 61.300 -0.091 0.000 1.561 1611 I CB -0.988 36.881 38.000 -0.218 0.000 1.418 1611 I HN -0.059 nan 8.210 nan 0.000 0.449 1612 L N 3.276 124.525 121.223 0.045 0.000 3.505 1612 L HA -0.168 4.172 4.340 -0.000 0.000 0.392 1612 L C -0.598 176.277 176.870 0.009 0.000 1.042 1612 L CA 1.190 56.054 54.840 0.041 0.000 0.788 1612 L CB -2.149 39.939 42.059 0.048 0.000 1.235 1612 L HN 0.540 nan 8.230 nan 0.000 0.694 1613 D N 5.498 125.904 120.400 0.009 0.000 2.342 1613 D HA 0.390 5.030 4.640 -0.000 0.000 0.243 1613 D C -2.292 173.999 176.300 -0.015 0.000 1.019 1613 D CA -1.735 52.263 54.000 -0.003 0.000 0.864 1613 D CB 1.764 42.568 40.800 0.007 0.000 1.315 1613 D HN 0.168 nan 8.370 nan 0.000 0.468 1614 P HA 0.021 nan 4.420 nan 0.000 0.259 1614 P C 0.726 178.008 177.300 -0.030 0.000 1.155 1614 P CA 1.099 64.178 63.100 -0.036 0.000 0.759 1614 P CB 0.360 32.038 31.700 -0.036 0.000 0.753 1615 G N 2.177 110.955 108.800 -0.038 0.000 2.225 1615 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 1615 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 1615 G C -0.002 174.878 174.900 -0.032 0.000 0.988 1615 G CA -0.234 44.846 45.100 -0.034 0.000 0.625 1615 G HN 0.506 nan 8.290 nan 0.000 0.527 1616 D N 1.823 122.207 120.400 -0.027 0.000 2.389 1616 D HA 0.419 5.059 4.640 -0.000 0.000 0.247 1616 D C 0.691 176.965 176.300 -0.042 0.000 1.128 1616 D CA 0.364 54.353 54.000 -0.019 0.000 0.884 1616 D CB 0.701 41.506 40.800 0.007 0.000 1.194 1616 D HN 0.565 nan 8.370 nan 0.000 0.441 1617 E N 0.480 120.649 120.200 -0.052 0.000 2.266 1617 E HA 0.424 4.774 4.350 -0.000 0.000 0.277 1617 E C -0.691 175.852 176.600 -0.095 0.000 1.018 1617 E CA -0.794 55.557 56.400 -0.082 0.000 0.840 1617 E CB 1.872 31.517 29.700 -0.092 0.000 1.082 1617 E HN 0.069 nan 8.360 nan 0.000 0.395 1618 V N 4.610 124.455 119.914 -0.115 0.000 2.407 1618 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 1618 V C -0.005 176.008 176.094 -0.135 0.000 1.018 1618 V CA -0.644 61.593 62.300 -0.106 0.000 0.842 1618 V CB 1.110 32.857 31.823 -0.128 0.000 0.996 1618 V HN 0.612 nan 8.190 nan 0.000 0.426 1619 I N 4.882 125.368 120.570 -0.140 0.000 2.529 1619 I HA 0.333 4.503 4.170 -0.000 0.000 0.284 1619 I C -0.346 175.709 176.117 -0.105 0.000 1.082 1619 I CA 0.039 61.262 61.300 -0.130 0.000 1.406 1619 I CB 1.286 39.197 38.000 -0.148 0.000 1.405 1619 I HN 0.275 nan 8.210 nan 0.000 0.548 1620 V N 7.224 127.072 119.914 -0.110 0.000 2.686 1620 V HA 0.337 4.457 4.120 -0.000 0.000 0.306 1620 V C -0.495 175.581 176.094 -0.029 0.000 1.065 1620 V CA -0.634 61.593 62.300 -0.122 0.000 0.894 1620 V CB 2.193 33.852 31.823 -0.275 0.000 1.004 1620 V HN 0.380 nan 8.190 nan 0.000 0.424 1621 L N 4.484 125.745 121.223 0.062 0.000 2.264 1621 L HA 0.607 4.947 4.340 -0.000 0.000 0.289 1621 L C 0.600 177.650 176.870 0.300 0.000 1.044 1621 L CA 0.287 55.218 54.840 0.151 0.000 0.807 1621 L CB 1.597 43.730 42.059 0.123 0.000 1.192 1621 L HN 0.780 nan 8.230 nan 0.000 0.425 1622 S N 2.754 118.652 115.700 0.331 0.000 2.617 1622 S HA 0.701 5.171 4.470 -0.000 0.000 0.283 1622 S C -2.662 172.015 174.600 0.129 0.000 1.189 1622 S CA -1.719 56.671 58.200 0.316 0.000 1.036 1622 S CB 1.251 64.624 63.200 0.289 0.000 1.014 1622 S HN 0.294 nan 8.310 nan 0.000 0.522 1623 P HA 0.216 nan 4.420 nan 0.000 0.267 1623 P C -1.112 176.185 177.300 -0.004 0.000 1.209 1623 P CA 0.123 63.109 63.100 -0.190 0.000 0.763 1623 P CB -0.181 31.263 31.700 -0.428 0.000 0.816 1624 Y N 1.178 121.554 120.300 0.126 0.000 2.536 1624 Y HA 0.603 5.153 4.550 0.000 0.000 0.347 1624 Y C -0.793 175.297 175.900 0.316 0.000 1.000 1624 Y CA -2.268 55.976 58.100 0.240 0.000 1.051 1624 Y CB 0.440 39.037 38.460 0.228 0.000 1.259 1624 Y HN 0.327 nan 8.280 nan 0.000 0.468 1625 W N 4.815 126.331 121.300 0.360 0.000 2.397 1625 W HA 0.257 4.917 4.660 -0.000 0.000 0.327 1625 W C 0.710 177.154 176.519 -0.125 0.000 1.421 1625 W CA -0.463 56.906 57.345 0.040 0.000 1.288 1625 W CB 0.475 29.814 29.460 -0.201 0.000 1.312 1625 W HN 0.679 nan 8.180 nan 0.000 0.559 1626 V N 4.559 123.941 119.914 -0.887 0.000 2.277 1626 V HA -0.466 3.654 4.120 -0.000 0.000 0.261 1626 V C 2.202 177.812 176.094 -0.808 0.000 1.091 1626 V CA 2.845 64.591 62.300 -0.925 0.000 1.090 1626 V CB -1.288 29.967 31.823 -0.947 0.000 0.704 1626 V HN 0.758 nan 8.190 nan 0.000 0.455 1627 S N -2.483 112.358 115.700 -1.432 0.000 2.527 1627 S HA 0.009 4.479 4.470 -0.000 0.000 0.222 1627 S C 1.522 175.758 174.600 -0.606 0.000 0.985 1627 S CA 0.579 58.147 58.200 -1.054 0.000 0.921 1627 S CB -0.305 62.147 63.200 -1.247 0.000 0.772 1627 S HN 0.687 nan 8.310 nan 0.000 0.529 1628 Y N 2.360 122.417 120.300 -0.405 0.000 2.081 1628 Y HA -0.155 4.395 4.550 -0.000 0.000 0.280 1628 Y C -0.014 175.695 175.900 -0.318 0.000 1.163 1628 Y CA 1.378 59.372 58.100 -0.176 0.000 1.135 1628 Y CB -1.445 36.980 38.460 -0.058 0.000 0.970 1628 Y HN 0.295 nan 8.280 nan 0.000 0.498 1629 P HA -0.134 nan 4.420 nan 0.000 0.217 1629 P C 0.802 177.997 177.300 -0.175 0.000 1.151 1629 P CA 1.522 64.476 63.100 -0.243 0.000 0.828 1629 P CB 0.069 31.610 31.700 -0.265 0.000 0.788 1630 E N -0.075 120.027 120.200 -0.163 0.000 2.472 1630 E HA -0.074 4.276 4.350 -0.000 0.000 0.200 1630 E C 1.915 178.485 176.600 -0.050 0.000 1.046 1630 E CA 0.878 57.216 56.400 -0.104 0.000 0.871 1630 E CB -0.353 29.260 29.700 -0.146 0.000 0.806 1630 E HN 0.516 nan 8.360 nan 0.000 0.533 1631 M N -2.950 116.596 119.600 -0.090 0.000 2.449 1631 M HA 0.135 4.615 4.480 -0.000 0.000 0.262 1631 M C 1.781 177.982 176.300 -0.165 0.000 1.152 1631 M CA 0.287 55.579 55.300 -0.012 0.000 1.104 1631 M CB 0.077 32.743 32.600 0.111 0.000 1.416 1631 M HN -0.195 nan 8.290 nan 0.000 0.519 1632 V N 2.385 122.055 119.914 -0.408 0.000 2.223 1632 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 1632 V C 2.569 178.503 176.094 -0.267 0.000 1.045 1632 V CA 2.257 64.184 62.300 -0.621 0.000 1.000 1632 V CB -0.889 30.586 31.823 -0.580 0.000 0.635 1632 V HN 0.519 nan 8.190 nan 0.000 0.445 1633 R N -0.950 119.450 120.500 -0.166 0.000 2.117 1633 R HA -0.231 4.109 4.340 -0.000 0.000 0.243 1633 R C 2.217 178.503 176.300 -0.024 0.000 1.143 1633 R CA 2.103 58.152 56.100 -0.085 0.000 0.968 1633 R CB -0.663 29.602 30.300 -0.059 0.000 0.863 1633 R HN 0.490 nan 8.270 nan 0.000 0.444 1634 F N 1.206 121.099 119.950 -0.095 0.000 2.126 1634 F HA -0.224 4.303 4.527 0.000 0.000 0.299 1634 F C 2.303 178.065 175.800 -0.065 0.000 1.096 1634 F CA 1.606 59.583 58.000 -0.038 0.000 1.255 1634 F CB -0.181 38.845 39.000 0.043 0.000 0.997 1634 F HN 0.016 nan 8.300 nan 0.000 0.479 1635 A N -0.720 122.128 122.820 0.047 0.000 2.119 1635 A HA 0.290 4.610 4.320 -0.000 0.000 0.217 1635 A C 1.796 179.332 177.584 -0.079 0.000 1.153 1635 A CA 1.101 53.113 52.037 -0.042 0.000 0.692 1635 A CB -1.088 17.872 19.000 -0.066 0.000 0.799 1635 A HN 0.944 nan 8.150 nan 0.000 0.458 1636 G N -2.496 106.248 108.800 -0.093 0.000 2.148 1636 G HA2 0.104 4.064 3.960 -0.000 0.000 0.157 1636 G HA3 0.104 4.064 3.960 -0.000 0.000 0.157 1636 G C 0.632 175.483 174.900 -0.082 0.000 1.012 1636 G CA 0.116 45.162 45.100 -0.090 0.000 0.677 1636 G HN 1.176 nan 8.290 nan 0.000 0.506 1637 G N -1.155 107.583 108.800 -0.103 0.000 2.553 1637 G HA2 0.624 4.584 3.960 -0.000 0.000 0.278 1637 G HA3 0.624 4.584 3.960 -0.000 0.000 0.278 1637 G C -0.359 174.475 174.900 -0.109 0.000 1.349 1637 G CA 0.092 45.123 45.100 -0.115 0.000 1.037 1637 G HN 1.080 nan 8.290 nan 0.000 0.508 1638 V N 0.107 119.952 119.914 -0.115 0.000 2.555 1638 V HA 0.187 4.307 4.120 -0.000 0.000 0.283 1638 V C -0.147 175.874 176.094 -0.121 0.000 1.020 1638 V CA -0.614 61.625 62.300 -0.101 0.000 0.883 1638 V CB 1.503 33.280 31.823 -0.076 0.000 1.030 1638 V HN 0.525 nan 8.190 nan 0.000 0.448 1639 V N 5.591 125.423 119.914 -0.136 0.000 2.479 1639 V HA 0.221 4.341 4.120 -0.000 0.000 0.281 1639 V C 0.185 176.210 176.094 -0.114 0.000 1.031 1639 V CA 0.039 62.243 62.300 -0.159 0.000 1.038 1639 V CB 1.414 33.119 31.823 -0.197 0.000 0.981 1639 V HN 0.573 nan 8.190 nan 0.000 0.478 1640 V N 6.274 126.120 119.914 -0.113 0.000 2.350 1640 V HA 0.362 4.482 4.120 -0.000 0.000 0.285 1640 V C 0.055 176.104 176.094 -0.076 0.000 1.014 1640 V CA -0.639 61.612 62.300 -0.081 0.000 0.831 1640 V CB 1.544 33.312 31.823 -0.091 0.000 1.000 1640 V HN 1.052 nan 8.190 nan 0.000 0.433 1641 E N 4.657 124.835 120.200 -0.037 0.000 2.191 1641 E HA 0.750 5.100 4.350 -0.000 0.000 0.274 1641 E C -1.360 175.264 176.600 0.040 0.000 0.948 1641 E CA -0.838 55.561 56.400 -0.001 0.000 0.802 1641 E CB 2.298 32.026 29.700 0.046 0.000 1.137 1641 E HN 0.292 nan 8.360 nan 0.000 0.397 1642 V N 2.314 122.258 119.914 0.050 0.000 2.409 1642 V HA 0.207 4.327 4.120 -0.000 0.000 0.291 1642 V C 0.065 176.216 176.094 0.095 0.000 1.020 1642 V CA -0.900 61.433 62.300 0.055 0.000 0.848 1642 V CB 1.044 32.880 31.823 0.023 0.000 0.990 1642 V HN 0.855 nan 8.190 nan 0.000 0.430 1643 E N 3.506 123.768 120.200 0.103 0.000 2.391 1643 E HA 0.412 4.762 4.350 -0.000 0.000 0.255 1643 E C 0.004 176.674 176.600 0.117 0.000 1.187 1643 E CA -0.038 56.438 56.400 0.128 0.000 0.941 1643 E CB 1.051 30.829 29.700 0.130 0.000 1.010 1643 E HN 0.858 nan 8.360 nan 0.000 0.458 1644 T N 2.025 116.678 114.554 0.165 0.000 2.985 1644 T HA 0.344 4.694 4.350 -0.000 0.000 0.315 1644 T C -0.566 174.268 174.700 0.223 0.000 1.001 1644 T CA -1.027 61.178 62.100 0.175 0.000 1.016 1644 T CB 0.354 69.366 68.868 0.240 0.000 0.993 1644 T HN 0.296 nan 8.240 nan 0.000 0.454 1645 L N 5.788 127.056 121.223 0.074 0.000 2.490 1645 L HA 0.254 4.594 4.340 -0.000 0.000 0.274 1645 L C -0.692 175.991 176.870 -0.311 0.000 1.201 1645 L CA -1.601 53.222 54.840 -0.028 0.000 0.869 1645 L CB 0.559 42.594 42.059 -0.041 0.000 1.123 1645 L HN 0.477 nan 8.230 nan 0.000 0.484 1646 P HA -0.178 nan 4.420 nan 0.000 0.217 1646 P C 0.987 177.931 177.300 -0.594 0.000 1.150 1646 P CA 1.233 63.584 63.100 -1.249 0.000 0.832 1646 P CB 0.134 31.402 31.700 -0.719 0.000 0.787 1647 E N 1.410 121.435 120.200 -0.292 0.000 2.209 1647 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 1647 E C 1.255 177.774 176.600 -0.136 0.000 0.993 1647 E CA 1.116 57.418 56.400 -0.163 0.000 0.819 1647 E CB -0.830 28.817 29.700 -0.089 0.000 0.745 1647 E HN 0.563 nan 8.360 nan 0.000 0.477 1648 E N 0.529 120.639 120.200 -0.150 0.000 2.419 1648 E HA 0.256 4.606 4.350 -0.000 0.000 0.190 1648 E C 0.740 177.290 176.600 -0.084 0.000 1.040 1648 E CA 0.163 56.510 56.400 -0.089 0.000 0.900 1648 E CB 0.143 29.808 29.700 -0.058 0.000 1.054 1648 E HN 0.250 nan 8.360 nan 0.000 0.462 1649 G N 1.333 110.037 108.800 -0.161 0.000 2.198 1649 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 1649 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 1649 G C 0.346 175.280 174.900 0.057 0.000 1.025 1649 G CA 0.085 45.133 45.100 -0.088 0.000 0.769 1649 G HN 0.498 nan 8.290 nan 0.000 0.507 1650 F N -3.762 116.214 119.950 0.043 0.000 3.084 1650 F HA -0.247 4.280 4.527 -0.000 0.000 0.286 1650 F C 0.985 176.831 175.800 0.076 0.000 0.855 1650 F CA 0.668 58.702 58.000 0.056 0.000 1.091 1650 F CB -1.532 37.509 39.000 0.068 0.000 1.177 1650 F HN 0.311 nan 8.300 nan 0.000 0.542 1651 V N 1.937 121.935 119.914 0.139 0.000 2.394 1651 V HA 0.327 4.447 4.120 -0.000 0.000 0.282 1651 V C -1.398 174.598 176.094 -0.163 0.000 1.031 1651 V CA -1.684 60.589 62.300 -0.046 0.000 0.881 1651 V CB 1.520 33.354 31.823 0.018 0.000 0.982 1651 V HN -0.137 nan 8.190 nan 0.000 0.451 1652 P HA 0.015 nan 4.420 nan 0.000 0.265 1652 P C -0.961 176.256 177.300 -0.138 0.000 1.187 1652 P CA 0.035 63.000 63.100 -0.224 0.000 0.766 1652 P CB 0.730 32.245 31.700 -0.308 0.000 0.820 1653 D N 3.360 123.716 120.400 -0.072 0.000 2.392 1653 D HA 0.242 4.882 4.640 -0.000 0.000 0.228 1653 D C -1.782 174.494 176.300 -0.039 0.000 1.074 1653 D CA -2.650 51.323 54.000 -0.046 0.000 0.838 1653 D CB 0.996 41.780 40.800 -0.025 0.000 1.067 1653 D HN 0.009 nan 8.370 nan 0.000 0.511 1654 P HA -0.139 nan 4.420 nan 0.000 0.215 1654 P C 1.066 178.360 177.300 -0.009 0.000 1.157 1654 P CA 0.900 63.988 63.100 -0.020 0.000 0.874 1654 P CB 0.404 32.096 31.700 -0.013 0.000 0.790 1655 E N -0.359 119.838 120.200 -0.006 0.000 2.130 1655 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 1655 E C 2.017 178.615 176.600 -0.003 0.000 0.998 1655 E CA 1.311 57.711 56.400 0.000 0.000 0.806 1655 E CB -0.465 29.236 29.700 0.002 0.000 0.738 1655 E HN 0.460 nan 8.360 nan 0.000 0.459 1656 R N -0.123 120.373 120.500 -0.008 0.000 2.210 1656 R HA 0.087 4.427 4.340 -0.000 0.000 0.203 1656 R C 2.019 178.309 176.300 -0.017 0.000 1.010 1656 R CA 0.558 56.653 56.100 -0.008 0.000 1.008 1656 R CB -0.322 29.976 30.300 -0.002 0.000 0.923 1656 R HN -0.082 nan 8.270 nan 0.000 0.469 1657 V N 1.438 121.340 119.914 -0.020 0.000 2.591 1657 V HA -0.102 4.018 4.120 -0.000 0.000 0.249 1657 V C 2.655 178.719 176.094 -0.049 0.000 1.053 1657 V CA 1.815 64.098 62.300 -0.029 0.000 1.068 1657 V CB -0.616 31.197 31.823 -0.017 0.000 0.689 1657 V HN 0.401 nan 8.190 nan 0.000 0.462 1658 R N 1.771 122.246 120.500 -0.041 0.000 2.070 1658 R HA -0.176 4.164 4.340 -0.000 0.000 0.233 1658 R C 1.978 178.231 176.300 -0.078 0.000 1.137 1658 R CA 1.777 57.835 56.100 -0.070 0.000 0.945 1658 R CB -0.246 30.046 30.300 -0.014 0.000 0.845 1658 R HN 0.605 nan 8.270 nan 0.000 0.430 1659 R N -0.094 120.384 120.500 -0.037 0.000 4.054 1659 R HA 0.163 4.503 4.340 -0.000 0.000 0.227 1659 R C 0.304 176.581 176.300 -0.037 0.000 1.902 1659 R CA 0.619 56.704 56.100 -0.026 0.000 1.590 1659 R CB 0.359 30.655 30.300 -0.006 0.000 1.245 1659 R HN 0.232 nan 8.270 nan 0.000 0.647 1660 A N 0.533 123.312 122.820 -0.068 0.000 2.606 1660 A HA 0.302 4.622 4.320 -0.000 0.000 0.230 1660 A C 0.327 177.840 177.584 -0.118 0.000 1.279 1660 A CA -0.530 51.462 52.037 -0.076 0.000 1.010 1660 A CB 0.517 19.473 19.000 -0.074 0.000 1.271 1660 A HN 0.295 nan 8.150 nan 0.000 0.584 1661 I N 2.348 122.829 120.570 -0.147 0.000 2.529 1661 I HA 0.352 4.522 4.170 -0.000 0.000 0.284 1661 I C 0.690 176.752 176.117 -0.091 0.000 1.082 1661 I CA 0.353 61.535 61.300 -0.196 0.000 1.406 1661 I CB 1.478 39.299 38.000 -0.298 0.000 1.405 1661 I HN 0.376 nan 8.210 nan 0.000 0.548 1662 T N 2.753 117.257 114.554 -0.083 0.000 2.841 1662 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 1662 T C -2.284 172.411 174.700 -0.010 0.000 1.166 1662 T CA -1.627 60.456 62.100 -0.028 0.000 1.007 1662 T CB 2.034 70.879 68.868 -0.039 0.000 1.253 1662 T HN 0.354 nan 8.240 nan 0.000 0.511 1663 P HA 0.051 nan 4.420 nan 0.000 0.239 1663 P C 0.824 178.132 177.300 0.014 0.000 1.184 1663 P CA 0.340 63.458 63.100 0.030 0.000 0.760 1663 P CB 0.157 31.874 31.700 0.029 0.000 0.884 1664 R N -0.811 119.682 120.500 -0.012 0.000 2.156 1664 R HA 0.092 4.432 4.340 -0.000 0.000 0.207 1664 R C 0.692 176.970 176.300 -0.036 0.000 1.040 1664 R CA 0.344 56.433 56.100 -0.019 0.000 1.013 1664 R CB -0.848 29.433 30.300 -0.031 0.000 0.931 1664 R HN 0.084 nan 8.270 nan 0.000 0.465 1665 T N 2.560 117.065 114.554 -0.082 0.000 2.704 1665 T HA -0.046 4.304 4.350 -0.000 0.000 0.271 1665 T C 0.917 175.544 174.700 -0.121 0.000 1.000 1665 T CA 0.864 62.859 62.100 -0.175 0.000 1.216 1665 T CB 0.592 69.254 68.868 -0.342 0.000 0.961 1665 T HN 0.206 nan 8.240 nan 0.000 0.515 1666 K N 1.535 121.905 120.400 -0.050 0.000 2.370 1666 K HA 0.491 4.811 4.320 -0.000 0.000 0.194 1666 K C 0.412 177.171 176.600 0.265 0.000 1.070 1666 K CA -0.002 56.361 56.287 0.126 0.000 0.998 1666 K CB 0.585 33.172 32.500 0.145 0.000 0.911 1666 K HN 0.673 nan 8.250 nan 0.000 0.533 1667 A N 0.871 123.763 122.820 0.120 0.000 2.594 1667 A HA 0.581 4.901 4.320 -0.000 0.000 0.295 1667 A C -2.209 175.431 177.584 0.093 0.000 1.071 1667 A CA -0.753 51.441 52.037 0.262 0.000 0.685 1667 A CB 1.442 20.616 19.000 0.291 0.000 1.285 1667 A HN 0.091 nan 8.150 nan 0.000 0.405 1668 L N 1.180 122.545 121.223 0.236 0.000 2.381 1668 L HA 0.851 5.191 4.340 -0.000 0.000 0.268 1668 L C -1.375 175.571 176.870 0.127 0.000 0.997 1668 L CA -0.601 54.326 54.840 0.145 0.000 0.818 1668 L CB 2.153 44.409 42.059 0.330 0.000 1.310 1668 L HN 0.514 nan 8.230 nan 0.000 0.416 1669 V N 5.328 125.264 119.914 0.036 0.000 2.409 1669 V HA 0.590 4.710 4.120 -0.000 0.000 0.290 1669 V C -0.564 175.515 176.094 -0.024 0.000 1.017 1669 V CA -0.644 61.627 62.300 -0.048 0.000 0.841 1669 V CB 1.566 33.258 31.823 -0.219 0.000 1.003 1669 V HN 0.643 nan 8.190 nan 0.000 0.426 1670 V N 5.085 125.028 119.914 0.047 0.000 2.715 1670 V HA 0.655 4.775 4.120 -0.000 0.000 0.310 1670 V C -0.520 175.664 176.094 0.150 0.000 1.054 1670 V CA -0.387 62.017 62.300 0.174 0.000 0.928 1670 V CB 2.014 33.979 31.823 0.237 0.000 1.007 1670 V HN 0.991 nan 8.190 nan 0.000 0.437 1671 N N 3.597 122.416 118.700 0.198 0.000 2.581 1671 N HA 0.402 5.142 4.740 -0.000 0.000 0.279 1671 N C -1.640 173.798 175.510 -0.121 0.000 1.124 1671 N CA -0.151 52.969 53.050 0.118 0.000 0.833 1671 N CB 1.328 39.977 38.487 0.269 0.000 1.338 1671 N HN 0.696 nan 8.380 nan 0.000 0.533 1672 S N 3.514 119.104 115.700 -0.183 0.000 2.557 1672 S HA 0.557 5.027 4.470 -0.000 0.000 0.291 1672 S C -2.899 171.678 174.600 -0.037 0.000 1.116 1672 S CA -1.267 56.712 58.200 -0.368 0.000 0.992 1672 S CB 1.524 64.401 63.200 -0.538 0.000 1.028 1672 S HN 0.326 nan 8.310 nan 0.000 0.484 1673 P HA 0.190 nan 4.420 nan 0.000 0.276 1673 P C -0.486 176.646 177.300 -0.279 0.000 1.243 1673 P CA -0.415 62.568 63.100 -0.196 0.000 0.768 1673 P CB 0.328 31.926 31.700 -0.169 0.000 0.856 1674 N N 3.528 122.050 118.700 -0.298 0.000 2.353 1674 N HA -0.055 4.685 4.740 -0.000 0.000 0.248 1674 N C -0.260 175.088 175.510 -0.269 0.000 1.240 1674 N CA 0.823 53.738 53.050 -0.225 0.000 0.862 1674 N CB -0.031 38.384 38.487 -0.119 0.000 1.086 1674 N HN 0.347 nan 8.380 nan 0.000 0.453 1675 N N 3.222 121.782 118.700 -0.233 0.000 2.352 1675 N HA 0.382 5.122 4.740 -0.000 0.000 0.291 1675 N C -2.478 172.961 175.510 -0.119 0.000 1.040 1675 N CA -1.869 50.986 53.050 -0.324 0.000 0.864 1675 N CB 2.161 40.358 38.487 -0.483 0.000 1.440 1675 N HN 0.285 nan 8.380 nan 0.000 0.483 1676 P HA 0.099 nan 4.420 nan 0.000 0.267 1676 P C 0.706 177.795 177.300 -0.351 0.000 1.289 1676 P CA 0.265 63.061 63.100 -0.507 0.000 0.866 1676 P CB 0.504 31.629 31.700 -0.958 0.000 1.309 1677 T N -1.324 113.042 114.554 -0.313 0.000 3.043 1677 T HA 0.182 4.532 4.350 -0.000 0.000 0.263 1677 T C 1.606 176.268 174.700 -0.064 0.000 1.094 1677 T CA 1.528 63.453 62.100 -0.291 0.000 1.127 1677 T CB -0.938 67.621 68.868 -0.516 0.000 0.905 1677 T HN 0.209 nan 8.240 nan 0.000 0.490 1678 G N 0.908 109.672 108.800 -0.059 0.000 2.184 1678 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.264 1678 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.264 1678 G C 0.428 175.327 174.900 -0.001 0.000 0.975 1678 G CA 0.288 45.377 45.100 -0.018 0.000 0.642 1678 G HN 1.157 nan 8.290 nan 0.000 0.536 1679 A N -0.870 121.972 122.820 0.037 0.000 2.448 1679 A HA 0.615 4.935 4.320 -0.000 0.000 0.239 1679 A C 0.419 177.984 177.584 -0.031 0.000 1.080 1679 A CA 0.804 52.901 52.037 0.100 0.000 0.779 1679 A CB 1.242 20.403 19.000 0.268 0.000 1.026 1679 A HN 1.590 nan 8.150 nan 0.000 0.499 1680 V N 3.104 123.034 119.914 0.026 0.000 2.488 1680 V HA 0.419 4.539 4.120 -0.000 0.000 0.293 1680 V C -1.062 175.100 176.094 0.114 0.000 1.027 1680 V CA -0.615 61.657 62.300 -0.047 0.000 0.862 1680 V CB 0.644 32.465 31.823 -0.005 0.000 1.008 1680 V HN 0.776 nan 8.190 nan 0.000 0.428 1681 Y N 6.823 127.171 120.300 0.081 0.000 2.425 1681 Y HA 0.296 4.846 4.550 -0.000 0.000 0.331 1681 Y C -1.716 174.220 175.900 0.059 0.000 1.157 1681 Y CA -2.071 56.072 58.100 0.071 0.000 1.372 1681 Y CB 0.401 38.906 38.460 0.076 0.000 1.253 1681 Y HN 0.486 nan 8.280 nan 0.000 0.536 1682 P HA -0.003 nan 4.420 nan 0.000 0.272 1682 P C 0.555 177.885 177.300 0.049 0.000 1.230 1682 P CA -0.349 62.805 63.100 0.091 0.000 0.788 1682 P CB 0.858 32.590 31.700 0.052 0.000 0.949 1683 K N 2.123 122.488 120.400 -0.058 0.000 2.034 1683 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 1683 K C 1.444 177.868 176.600 -0.294 0.000 1.051 1683 K CA 1.789 57.900 56.287 -0.295 0.000 0.931 1683 K CB -0.170 32.040 32.500 -0.484 0.000 0.715 1683 K HN 0.545 nan 8.250 nan 0.000 0.446 1684 E N 0.454 120.543 120.200 -0.184 0.000 2.515 1684 E HA -0.092 4.258 4.350 -0.000 0.000 0.201 1684 E C 1.479 178.050 176.600 -0.047 0.000 1.071 1684 E CA 0.610 56.937 56.400 -0.122 0.000 0.880 1684 E CB 0.185 29.828 29.700 -0.094 0.000 0.828 1684 E HN 0.201 nan 8.360 nan 0.000 0.540 1685 V N 0.453 120.364 119.914 -0.005 0.000 2.908 1685 V HA -0.067 4.053 4.120 -0.000 0.000 0.240 1685 V C 2.129 178.262 176.094 0.065 0.000 1.117 1685 V CA 0.175 62.483 62.300 0.014 0.000 1.133 1685 V CB -0.058 31.767 31.823 0.003 0.000 0.857 1685 V HN 0.188 nan 8.190 nan 0.000 0.478 1686 L N 0.469 121.777 121.223 0.141 0.000 2.141 1686 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 1686 L C 2.378 179.370 176.870 0.203 0.000 1.094 1686 L CA 1.882 56.858 54.840 0.228 0.000 0.763 1686 L CB -1.180 41.108 42.059 0.381 0.000 0.908 1686 L HN 0.463 nan 8.230 nan 0.000 0.437 1687 E N 0.152 120.428 120.200 0.127 0.000 2.007 1687 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 1687 E C 2.283 178.911 176.600 0.046 0.000 0.999 1687 E CA 1.574 58.021 56.400 0.077 0.000 0.811 1687 E CB -0.092 29.565 29.700 -0.070 0.000 0.762 1687 E HN 0.337 nan 8.360 nan 0.000 0.450 1688 A N 0.654 123.486 122.820 0.019 0.000 1.873 1688 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 1688 A C 2.311 179.907 177.584 0.021 0.000 1.193 1688 A CA 1.995 54.038 52.037 0.011 0.000 0.629 1688 A CB -1.055 17.946 19.000 0.001 0.000 0.826 1688 A HN 0.357 nan 8.150 nan 0.000 0.447 1689 L N -1.054 120.191 121.223 0.037 0.000 2.141 1689 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 1689 L C 2.990 179.881 176.870 0.035 0.000 1.094 1689 L CA 0.890 55.761 54.840 0.052 0.000 0.763 1689 L CB -0.619 41.482 42.059 0.069 0.000 0.908 1689 L HN 0.435 nan 8.230 nan 0.000 0.437 1690 A N 0.119 122.956 122.820 0.028 0.000 1.969 1690 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 1690 A C 2.462 179.982 177.584 -0.106 0.000 1.169 1690 A CA 1.363 53.387 52.037 -0.021 0.000 0.635 1690 A CB -0.465 18.550 19.000 0.025 0.000 0.810 1690 A HN 0.304 nan 8.150 nan 0.000 0.445 1691 R N -0.333 120.128 120.500 -0.065 0.000 2.092 1691 R HA 0.011 4.351 4.340 -0.000 0.000 0.231 1691 R C 1.875 178.110 176.300 -0.108 0.000 1.119 1691 R CA 1.172 57.217 56.100 -0.092 0.000 0.970 1691 R CB -0.292 29.984 30.300 -0.040 0.000 0.864 1691 R HN 0.539 nan 8.270 nan 0.000 0.440 1692 L N -0.238 120.958 121.223 -0.045 0.000 2.093 1692 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 1692 L C 2.596 179.328 176.870 -0.230 0.000 1.085 1692 L CA 1.167 56.035 54.840 0.047 0.000 0.755 1692 L CB -0.773 41.349 42.059 0.106 0.000 0.904 1692 L HN 0.280 nan 8.230 nan 0.000 0.435 1693 A N 0.059 122.556 122.820 -0.538 0.000 1.908 1693 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 1693 A C 2.416 179.429 177.584 -0.951 0.000 1.181 1693 A CA 1.878 53.149 52.037 -1.277 0.000 0.627 1693 A CB -0.767 17.856 19.000 -0.629 0.000 0.818 1693 A HN 0.193 nan 8.150 nan 0.000 0.445 1694 V N -0.339 119.120 119.914 -0.759 0.000 2.323 1694 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 1694 V C 2.533 178.392 176.094 -0.391 0.000 1.041 1694 V CA 2.241 63.989 62.300 -0.919 0.000 1.025 1694 V CB -0.509 30.933 31.823 -0.634 0.000 0.656 1694 V HN 0.777 nan 8.190 nan 0.000 0.451 1695 E N -0.367 119.701 120.200 -0.219 0.000 2.038 1695 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 1695 E C 1.900 178.440 176.600 -0.099 0.000 1.000 1695 E CA 2.011 58.349 56.400 -0.104 0.000 0.803 1695 E CB -0.068 29.625 29.700 -0.012 0.000 0.750 1695 E HN 0.785 nan 8.360 nan 0.000 0.448 1696 H N -0.318 118.733 119.070 -0.031 0.000 2.539 1696 H HA 0.158 4.714 4.556 -0.000 0.000 0.269 1696 H C -0.576 174.836 175.328 0.140 0.000 0.980 1696 H CA 0.710 56.828 56.048 0.117 0.000 1.152 1696 H CB 0.348 30.300 29.762 0.318 0.000 1.407 1696 H HN 0.172 nan 8.280 nan 0.000 0.564 1697 D N 0.020 120.473 120.400 0.089 0.000 4.353 1697 D HA -0.178 4.462 4.640 -0.000 0.000 0.242 1697 D C -1.064 175.339 176.300 0.172 0.000 1.063 1697 D CA 0.945 54.999 54.000 0.091 0.000 1.224 1697 D CB -1.169 39.678 40.800 0.079 0.000 0.831 1697 D HN 0.393 nan 8.370 nan 0.000 0.405 1698 F N 0.405 120.389 119.950 0.056 0.000 2.769 1698 F HA 0.502 5.029 4.527 -0.000 0.000 0.313 1698 F C -1.155 174.629 175.800 -0.027 0.000 1.146 1698 F CA -1.596 56.379 58.000 -0.042 0.000 0.934 1698 F CB 0.496 39.527 39.000 0.052 0.000 1.283 1698 F HN -0.062 nan 8.300 nan 0.000 0.443 1699 Y N 2.048 122.550 120.300 0.337 0.000 2.426 1699 Y HA 0.452 5.002 4.550 -0.000 0.000 0.344 1699 Y C 0.192 176.251 175.900 0.265 0.000 1.256 1699 Y CA -0.421 57.800 58.100 0.203 0.000 1.451 1699 Y CB 0.613 39.145 38.460 0.119 0.000 1.342 1699 Y HN 0.650 nan 8.280 nan 0.000 0.600 1700 L N 2.766 124.173 121.223 0.307 0.000 2.376 1700 L HA 0.537 4.877 4.340 -0.000 0.000 0.275 1700 L C -1.623 175.335 176.870 0.147 0.000 0.987 1700 L CA -0.885 54.083 54.840 0.213 0.000 0.828 1700 L CB 1.364 43.486 42.059 0.106 0.000 1.249 1700 L HN 0.394 nan 8.230 nan 0.000 0.409 1701 V N 3.697 123.676 119.914 0.109 0.000 2.328 1701 V HA 0.281 4.401 4.120 -0.000 0.000 0.278 1701 V C 0.226 176.335 176.094 0.025 0.000 1.021 1701 V CA -0.283 62.030 62.300 0.022 0.000 0.838 1701 V CB 1.505 33.300 31.823 -0.048 0.000 0.999 1701 V HN 0.791 nan 8.190 nan 0.000 0.447 1702 S N 3.050 118.765 115.700 0.026 0.000 2.429 1702 S HA 0.315 4.785 4.470 -0.000 0.000 0.302 1702 S C -0.264 174.379 174.600 0.071 0.000 1.115 1702 S CA -0.565 57.664 58.200 0.050 0.000 1.095 1702 S CB 0.761 63.981 63.200 0.033 0.000 0.987 1702 S HN 0.840 nan 8.310 nan 0.000 0.474 1703 D N 4.075 124.541 120.400 0.111 0.000 2.639 1703 D HA 0.237 4.877 4.640 -0.000 0.000 0.233 1703 D C 1.091 177.473 176.300 0.137 0.000 1.161 1703 D CA -0.114 53.980 54.000 0.156 0.000 1.003 1703 D CB 0.306 41.286 40.800 0.300 0.000 1.034 1703 D HN 0.662 nan 8.370 nan 0.000 0.514 1704 E N 1.751 122.026 120.200 0.125 0.000 2.021 1704 E HA -0.221 4.129 4.350 -0.000 0.000 0.200 1704 E C 1.958 178.558 176.600 0.001 0.000 1.015 1704 E CA 1.177 57.650 56.400 0.122 0.000 0.824 1704 E CB 0.012 29.832 29.700 0.199 0.000 0.762 1704 E HN 0.567 nan 8.360 nan 0.000 0.454 1705 I N -0.562 119.974 120.570 -0.057 0.000 4.202 1705 I HA -0.504 3.665 4.170 -0.000 0.000 0.106 1705 I C 1.295 177.206 176.117 -0.343 0.000 0.592 1705 I CA 2.068 63.242 61.300 -0.210 0.000 1.013 1705 I CB -0.466 37.384 38.000 -0.251 0.000 0.892 1705 I HN 0.273 nan 8.210 nan 0.000 0.205 1706 Y N 1.968 122.110 120.300 -0.263 0.000 2.502 1706 Y HA -0.053 4.497 4.550 -0.000 0.000 0.295 1706 Y C 2.045 177.728 175.900 -0.361 0.000 1.193 1706 Y CA 0.768 58.682 58.100 -0.309 0.000 1.295 1706 Y CB -0.381 37.884 38.460 -0.326 0.000 1.059 1706 Y HN 0.520 nan 8.280 nan 0.000 0.514 1707 E N -0.559 119.395 120.200 -0.411 0.000 2.136 1707 E HA -0.326 4.023 4.350 -0.000 0.000 0.202 1707 E C 0.967 177.271 176.600 -0.493 0.000 1.019 1707 E CA 2.299 58.236 56.400 -0.771 0.000 0.819 1707 E CB -0.712 28.261 29.700 -1.211 0.000 0.739 1707 E HN 0.621 nan 8.360 nan 0.000 0.458 1708 H N 0.271 119.204 119.070 -0.227 0.000 2.546 1708 H HA 0.145 4.701 4.556 -0.000 0.000 0.277 1708 H C 0.351 175.656 175.328 -0.039 0.000 1.004 1708 H CA 0.401 56.380 56.048 -0.114 0.000 1.231 1708 H CB 0.090 29.792 29.762 -0.100 0.000 1.382 1708 H HN 0.118 nan 8.280 nan 0.000 0.580 1709 L N 1.758 122.992 121.223 0.017 0.000 2.556 1709 L HA 0.222 4.562 4.340 -0.000 0.000 0.245 1709 L C -0.966 175.686 176.870 -0.363 0.000 1.174 1709 L CA -0.547 54.299 54.840 0.009 0.000 1.117 1709 L CB 0.412 42.489 42.059 0.031 0.000 1.409 1709 L HN 0.089 nan 8.230 nan 0.000 0.411 1710 L N 0.784 121.860 121.223 -0.246 0.000 2.318 1710 L HA 0.346 4.686 4.340 -0.000 0.000 0.277 1710 L C 0.156 176.933 176.870 -0.156 0.000 1.008 1710 L CA -0.087 54.579 54.840 -0.290 0.000 0.846 1710 L CB 0.796 42.802 42.059 -0.088 0.000 1.220 1710 L HN 0.226 nan 8.230 nan 0.000 0.423 1711 Y N 2.250 122.610 120.300 0.100 0.000 2.231 1711 Y HA 0.193 4.743 4.550 0.000 0.000 0.294 1711 Y C 0.532 176.475 175.900 0.071 0.000 1.120 1711 Y CA -0.047 58.106 58.100 0.089 0.000 1.141 1711 Y CB 0.374 38.886 38.460 0.087 0.000 1.022 1711 Y HN 0.473 nan 8.280 nan 0.000 0.523 1712 E N 0.696 120.995 120.200 0.164 0.000 2.432 1712 E HA 0.569 4.919 4.350 -0.000 0.000 0.272 1712 E C -0.369 176.280 176.600 0.081 0.000 0.937 1712 E CA -0.278 56.192 56.400 0.117 0.000 0.812 1712 E CB 1.282 31.055 29.700 0.121 0.000 1.377 1712 E HN 0.357 nan 8.360 nan 0.000 0.399 1713 G N 2.242 111.085 108.800 0.072 0.000 2.351 1713 G HA2 0.212 4.172 3.960 -0.000 0.000 0.279 1713 G HA3 0.212 4.172 3.960 -0.000 0.000 0.279 1713 G C -1.662 173.284 174.900 0.076 0.000 1.297 1713 G CA -0.828 44.313 45.100 0.069 0.000 0.886 1713 G HN 0.285 nan 8.290 nan 0.000 0.493 1714 E N -0.479 119.773 120.200 0.087 0.000 2.272 1714 E HA 0.411 4.761 4.350 -0.000 0.000 0.269 1714 E C -1.451 175.236 176.600 0.146 0.000 0.877 1714 E CA -0.864 55.601 56.400 0.109 0.000 0.755 1714 E CB 2.450 32.205 29.700 0.092 0.000 1.192 1714 E HN 0.576 nan 8.360 nan 0.000 0.422 1715 H N 2.779 121.887 119.070 0.063 0.000 2.782 1715 H HA 0.249 4.805 4.556 -0.000 0.000 0.285 1715 H C -1.549 173.855 175.328 0.127 0.000 1.093 1715 H CA -0.335 55.747 56.048 0.058 0.000 1.410 1715 H CB 0.049 29.798 29.762 -0.021 0.000 1.439 1715 H HN 0.333 nan 8.280 nan 0.000 0.469 1716 F N 3.737 123.434 119.950 -0.421 0.000 2.450 1716 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 1716 F C -0.595 174.954 175.800 -0.418 0.000 1.093 1716 F CA -0.560 57.260 58.000 -0.300 0.000 1.003 1716 F CB 1.410 40.332 39.000 -0.130 0.000 1.151 1716 F HN 0.447 nan 8.300 nan 0.000 0.474 1717 S N 6.511 121.532 115.700 -1.131 0.000 2.475 1717 S HA 0.364 4.834 4.470 -0.000 0.000 0.298 1717 S C -2.230 171.759 174.600 -1.017 0.000 1.119 1717 S CA -1.071 56.669 58.200 -0.765 0.000 1.085 1717 S CB 1.831 64.782 63.200 -0.415 0.000 1.028 1717 S HN 0.494 nan 8.310 nan 0.000 0.489 1718 P HA 0.142 nan 4.420 nan 0.000 0.240 1718 P C 1.343 178.548 177.300 -0.158 0.000 1.190 1718 P CA 0.188 63.169 63.100 -0.198 0.000 0.781 1718 P CB -0.010 31.679 31.700 -0.019 0.000 0.931 1719 G N 0.038 108.722 108.800 -0.193 0.000 2.625 1719 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.214 1719 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.214 1719 G C 1.544 176.372 174.900 -0.120 0.000 1.132 1719 G CA 0.201 45.221 45.100 -0.133 0.000 0.782 1719 G HN 0.227 nan 8.290 nan 0.000 0.538 1720 R N -0.487 119.909 120.500 -0.172 0.000 2.055 1720 R HA 0.053 4.393 4.340 -0.000 0.000 0.226 1720 R C 2.605 178.898 176.300 -0.012 0.000 1.135 1720 R CA 1.006 57.049 56.100 -0.095 0.000 0.959 1720 R CB -0.456 29.761 30.300 -0.139 0.000 0.854 1720 R HN 0.247 nan 8.270 nan 0.000 0.431 1721 V N 0.469 120.397 119.914 0.023 0.000 2.358 1721 V HA -0.066 4.054 4.120 -0.000 0.000 0.246 1721 V C 1.009 177.103 176.094 -0.000 0.000 1.047 1721 V CA 1.624 63.959 62.300 0.058 0.000 1.035 1721 V CB -0.161 31.744 31.823 0.136 0.000 0.658 1721 V HN 0.388 nan 8.190 nan 0.000 0.452 1722 A N 0.054 122.860 122.820 -0.022 0.000 3.159 1722 A HA 0.511 4.831 4.320 -0.000 0.000 0.330 1722 A C -1.358 176.235 177.584 0.016 0.000 1.032 1722 A CA -0.802 51.214 52.037 -0.037 0.000 0.841 1722 A CB 0.376 19.305 19.000 -0.118 0.000 1.093 1722 A HN 0.296 nan 8.150 nan 0.000 0.478 1723 P HA -0.208 nan 4.420 nan 0.000 0.220 1723 P C 0.680 177.996 177.300 0.028 0.000 1.148 1723 P CA 1.383 64.485 63.100 0.003 0.000 0.803 1723 P CB 0.163 31.856 31.700 -0.011 0.000 0.782 1724 E N -1.687 118.560 120.200 0.078 0.000 2.419 1724 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 1724 E C 0.555 177.115 176.600 -0.067 0.000 1.040 1724 E CA -0.065 56.353 56.400 0.030 0.000 0.900 1724 E CB -0.252 29.452 29.700 0.006 0.000 1.054 1724 E HN 0.323 nan 8.360 nan 0.000 0.462 1725 H N -0.478 118.559 119.070 -0.054 0.000 2.602 1725 H HA 0.173 4.729 4.556 -0.000 0.000 0.222 1725 H C 0.025 175.382 175.328 0.050 0.000 0.886 1725 H CA 0.624 56.627 56.048 -0.074 0.000 1.008 1725 H CB 0.721 30.380 29.762 -0.173 0.000 1.380 1725 H HN -0.034 nan 8.280 nan 0.000 0.417 1726 T N 2.074 116.710 114.554 0.136 0.000 2.919 1726 T HA 0.356 4.706 4.350 -0.000 0.000 0.302 1726 T C -0.153 174.568 174.700 0.034 0.000 1.031 1726 T CA -0.050 62.094 62.100 0.073 0.000 1.127 1726 T CB 0.793 69.664 68.868 0.004 0.000 0.952 1726 T HN 0.064 nan 8.240 nan 0.000 0.540 1727 L N 3.131 124.361 121.223 0.011 0.000 2.372 1727 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 1727 L C -0.156 176.672 176.870 -0.069 0.000 0.989 1727 L CA -0.605 54.204 54.840 -0.051 0.000 0.841 1727 L CB 1.514 43.527 42.059 -0.077 0.000 1.225 1727 L HN 0.706 nan 8.230 nan 0.000 0.414 1728 T N 2.574 117.052 114.554 -0.126 0.000 2.762 1728 T HA 0.387 4.737 4.350 -0.000 0.000 0.303 1728 T C -0.064 174.614 174.700 -0.037 0.000 0.977 1728 T CA -0.471 61.561 62.100 -0.113 0.000 0.961 1728 T CB 1.095 69.817 68.868 -0.242 0.000 0.944 1728 T HN 0.125 nan 8.240 nan 0.000 0.481 1729 V N 5.039 124.981 119.914 0.047 0.000 2.370 1729 V HA 0.502 4.622 4.120 -0.000 0.000 0.279 1729 V C 0.236 176.411 176.094 0.135 0.000 1.029 1729 V CA -0.718 61.639 62.300 0.095 0.000 0.870 1729 V CB 1.087 32.944 31.823 0.056 0.000 0.984 1729 V HN 0.811 nan 8.190 nan 0.000 0.451 1730 N N 2.187 120.990 118.700 0.171 0.000 2.774 1730 N HA 0.795 5.535 4.740 -0.000 0.000 0.264 1730 N C -0.579 174.701 175.510 -0.382 0.000 1.415 1730 N CA 0.021 53.097 53.050 0.044 0.000 0.815 1730 N CB 2.888 41.543 38.487 0.279 0.000 1.514 1730 N HN 0.815 nan 8.380 nan 0.000 0.523 1731 G N -1.376 107.079 108.800 -0.574 0.000 2.646 1731 G HA2 0.548 4.508 3.960 -0.000 0.000 0.291 1731 G HA3 0.548 4.508 3.960 -0.000 0.000 0.291 1731 G C -0.012 174.546 174.900 -0.570 0.000 1.445 1731 G CA 0.153 44.697 45.100 -0.926 0.000 0.814 1731 G HN 0.578 nan 8.290 nan 0.000 0.495 1732 A N 0.079 122.658 122.820 -0.401 0.000 1.929 1732 A HA 0.381 4.701 4.320 -0.000 0.000 0.216 1732 A C 2.784 180.293 177.584 -0.125 0.000 1.176 1732 A CA 2.401 54.389 52.037 -0.082 0.000 0.628 1732 A CB -0.976 18.106 19.000 0.136 0.000 0.816 1732 A HN 2.025 nan 8.150 nan 0.000 0.444 1733 A N 0.699 123.453 122.820 -0.109 0.000 1.883 1733 A HA -0.340 3.980 4.320 -0.000 0.000 0.226 1733 A C 2.085 179.639 177.584 -0.049 0.000 1.512 1733 A CA 2.484 54.491 52.037 -0.050 0.000 0.738 1733 A CB -0.689 18.270 19.000 -0.068 0.000 0.848 1733 A HN 0.436 nan 8.150 nan 0.000 0.477 1734 K N -0.643 119.648 120.400 -0.181 0.000 2.097 1734 K HA 0.000 4.320 4.320 -0.000 0.000 0.205 1734 K C 2.326 178.892 176.600 -0.057 0.000 1.050 1734 K CA 1.301 57.484 56.287 -0.173 0.000 0.938 1734 K CB -0.716 31.440 32.500 -0.573 0.000 0.718 1734 K HN 0.544 nan 8.250 nan 0.000 0.442 1735 A N 1.063 123.763 122.820 -0.200 0.000 1.840 1735 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 1735 A C 1.722 179.329 177.584 0.039 0.000 1.198 1735 A CA 0.904 52.824 52.037 -0.195 0.000 0.608 1735 A CB -0.738 17.898 19.000 -0.607 0.000 0.839 1735 A HN 0.272 nan 8.150 nan 0.000 0.443 1736 F N -0.420 119.568 119.950 0.064 0.000 2.693 1736 F HA 0.408 4.935 4.527 -0.000 0.000 0.303 1736 F C 1.507 177.243 175.800 -0.107 0.000 1.143 1736 F CA 0.244 58.190 58.000 -0.091 0.000 1.389 1736 F CB -0.091 38.767 39.000 -0.238 0.000 1.060 1736 F HN 0.367 nan 8.300 nan 0.000 0.535 1737 A N 0.390 123.387 122.820 0.294 0.000 2.826 1737 A HA -0.300 4.020 4.320 -0.000 0.000 0.274 1737 A C 0.891 178.612 177.584 0.229 0.000 1.443 1737 A CA 1.133 53.352 52.037 0.305 0.000 0.833 1737 A CB -2.277 16.977 19.000 0.422 0.000 1.023 1737 A HN 0.572 nan 8.150 nan 0.000 0.600 1738 M N 0.421 120.131 119.600 0.184 0.000 2.859 1738 M HA 0.051 4.531 4.480 -0.000 0.000 0.297 1738 M C 1.789 178.276 176.300 0.311 0.000 1.268 1738 M CA 0.640 56.102 55.300 0.271 0.000 1.003 1738 M CB -0.292 32.300 32.600 -0.014 0.000 1.308 1738 M HN 0.659 nan 8.290 nan 0.000 0.502 1739 T N -2.021 112.665 114.554 0.221 0.000 2.607 1739 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 1739 T C 1.975 176.764 174.700 0.148 0.000 1.049 1739 T CA 1.849 64.037 62.100 0.147 0.000 1.162 1739 T CB -0.992 67.946 68.868 0.115 0.000 0.863 1739 T HN 0.576 nan 8.240 nan 0.000 0.424 1740 G N -0.200 108.680 108.800 0.134 0.000 2.479 1740 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.220 1740 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.220 1740 G C 1.176 176.073 174.900 -0.004 0.000 1.115 1740 G CA 0.416 45.529 45.100 0.023 0.000 0.757 1740 G HN 0.643 nan 8.290 nan 0.000 0.560 1741 W N -0.282 121.026 121.300 0.012 0.000 2.374 1741 W HA 0.142 4.801 4.660 -0.000 0.000 0.288 1741 W C 0.787 177.311 176.519 0.009 0.000 1.218 1741 W CA 0.528 57.880 57.345 0.012 0.000 1.245 1741 W CB 0.238 29.707 29.460 0.015 0.000 1.126 1741 W HN -0.020 nan 8.180 nan 0.000 0.545 1742 R N -0.303 120.322 120.500 0.208 0.000 3.055 1742 R HA -0.147 4.193 4.340 -0.000 0.000 0.265 1742 R C -1.202 175.165 176.300 0.110 0.000 0.947 1742 R CA 0.444 56.613 56.100 0.115 0.000 0.652 1742 R CB -2.865 27.479 30.300 0.073 0.000 1.367 1742 R HN 0.283 nan 8.270 nan 0.000 0.441 1743 I N -0.267 120.352 120.570 0.081 0.000 2.571 1743 I HA 0.547 4.717 4.170 -0.000 0.000 0.286 1743 I C 0.676 176.734 176.117 -0.098 0.000 1.134 1743 I CA -0.484 60.842 61.300 0.043 0.000 1.052 1743 I CB 2.487 40.549 38.000 0.102 0.000 1.237 1743 I HN 0.399 nan 8.210 nan 0.000 0.435 1744 G N 4.883 113.600 108.800 -0.137 0.000 2.658 1744 G HA2 0.840 4.800 3.960 -0.000 0.000 0.292 1744 G HA3 0.840 4.800 3.960 -0.000 0.000 0.292 1744 G C -1.941 172.819 174.900 -0.233 0.000 1.320 1744 G CA -0.444 44.430 45.100 -0.376 0.000 0.933 1744 G HN 0.507 nan 8.290 nan 0.000 0.476 1745 Y N -2.627 117.709 120.300 0.059 0.000 2.638 1745 Y HA 0.874 5.424 4.550 -0.000 0.000 0.335 1745 Y C -0.103 175.899 175.900 0.170 0.000 1.155 1745 Y CA -1.541 56.619 58.100 0.101 0.000 1.046 1745 Y CB 1.192 39.711 38.460 0.097 0.000 1.303 1745 Y HN 1.117 nan 8.280 nan 0.000 0.460 1746 A N 0.105 123.150 122.820 0.376 0.000 2.588 1746 A HA 0.922 5.242 4.320 -0.000 0.000 0.290 1746 A C -1.193 176.427 177.584 0.061 0.000 1.136 1746 A CA -0.316 51.847 52.037 0.210 0.000 0.681 1746 A CB 1.014 20.056 19.000 0.070 0.000 1.282 1746 A HN 1.878 nan 8.150 nan 0.000 0.421 1747 C N -1.511 117.680 119.300 -0.181 0.000 3.239 1747 C HA 1.067 5.527 4.460 -0.000 0.000 0.317 1747 C C 0.299 175.160 174.990 -0.216 0.000 1.310 1747 C CA 0.230 59.099 59.018 -0.247 0.000 1.371 1747 C CB 1.083 28.516 27.740 -0.511 0.000 1.714 1747 C HN 2.826 nan 8.230 nan 0.000 0.473 1748 G N 0.737 109.451 108.800 -0.143 0.000 2.398 1748 G HA2 0.519 4.479 3.960 -0.000 0.000 0.251 1748 G HA3 0.519 4.479 3.960 -0.000 0.000 0.251 1748 G C -3.552 171.317 174.900 -0.051 0.000 1.277 1748 G CA -0.647 44.397 45.100 -0.094 0.000 0.927 1748 G HN 0.608 nan 8.290 nan 0.000 0.477 1749 P HA 0.141 nan 4.420 nan 0.000 0.261 1749 P C 0.748 178.040 177.300 -0.013 0.000 1.183 1749 P CA 0.255 63.352 63.100 -0.004 0.000 0.761 1749 P CB 0.913 32.635 31.700 0.037 0.000 0.785 1750 K N 3.638 124.030 120.400 -0.013 0.000 2.173 1750 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 1750 K C 1.163 177.757 176.600 -0.010 0.000 1.046 1750 K CA 1.864 58.144 56.287 -0.012 0.000 0.929 1750 K CB 0.123 32.617 32.500 -0.009 0.000 0.720 1750 K HN 0.502 nan 8.250 nan 0.000 0.453 1751 E N 0.176 120.374 120.200 -0.004 0.000 2.000 1751 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 1751 E C 1.944 178.535 176.600 -0.014 0.000 1.011 1751 E CA 1.416 57.815 56.400 -0.001 0.000 0.836 1751 E CB -0.667 29.041 29.700 0.014 0.000 0.778 1751 E HN 0.098 nan 8.360 nan 0.000 0.462 1752 V N 1.480 121.380 119.914 -0.025 0.000 2.546 1752 V HA -0.164 3.956 4.120 -0.000 0.000 0.254 1752 V C 1.437 177.492 176.094 -0.065 0.000 1.076 1752 V CA 1.447 63.705 62.300 -0.069 0.000 1.087 1752 V CB -0.407 31.329 31.823 -0.144 0.000 0.674 1752 V HN 0.255 nan 8.190 nan 0.000 0.470 1753 I N 0.386 120.929 120.570 -0.044 0.000 3.585 1753 I HA 0.204 4.374 4.170 -0.000 0.000 0.325 1753 I C 1.233 177.340 176.117 -0.017 0.000 1.370 1753 I CA 0.522 61.803 61.300 -0.032 0.000 1.298 1753 I CB -0.431 37.553 38.000 -0.027 0.000 1.387 1753 I HN 0.290 nan 8.210 nan 0.000 0.466 1754 K N 0.363 120.753 120.400 -0.018 0.000 2.350 1754 K HA 0.199 4.519 4.320 -0.000 0.000 0.160 1754 K C 1.455 178.050 176.600 -0.009 0.000 1.946 1754 K CA 0.660 56.942 56.287 -0.009 0.000 1.138 1754 K CB -0.029 32.466 32.500 -0.008 0.000 1.916 1754 K HN 0.168 nan 8.250 nan 0.000 0.522 1755 A N 1.609 124.418 122.820 -0.018 0.000 1.855 1755 A HA 0.046 4.366 4.320 -0.000 0.000 0.213 1755 A C 2.028 179.604 177.584 -0.013 0.000 1.195 1755 A CA 1.157 53.183 52.037 -0.018 0.000 0.610 1755 A CB -0.439 18.540 19.000 -0.036 0.000 0.837 1755 A HN 0.274 nan 8.150 nan 0.000 0.444 1756 M N -0.178 119.408 119.600 -0.023 0.000 2.088 1756 M HA -0.271 4.209 4.480 -0.000 0.000 0.256 1756 M C 2.494 178.802 176.300 0.014 0.000 1.071 1756 M CA 1.846 57.141 55.300 -0.009 0.000 1.097 1756 M CB -0.488 32.100 32.600 -0.021 0.000 1.315 1756 M HN 0.503 nan 8.290 nan 0.000 0.406 1757 A N -1.215 121.610 122.820 0.009 0.000 1.978 1757 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 1757 A C 2.222 179.816 177.584 0.015 0.000 1.170 1757 A CA 2.176 54.222 52.037 0.015 0.000 0.636 1757 A CB -0.779 18.226 19.000 0.008 0.000 0.810 1757 A HN 0.483 nan 8.150 nan 0.000 0.448 1758 S N -1.121 114.586 115.700 0.012 0.000 2.453 1758 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 1758 S C 1.748 176.363 174.600 0.025 0.000 1.005 1758 S CA 1.170 59.377 58.200 0.013 0.000 0.949 1758 S CB -0.285 62.919 63.200 0.008 0.000 0.774 1758 S HN 0.304 nan 8.310 nan 0.000 0.510 1759 V N 0.325 120.262 119.914 0.037 0.000 2.379 1759 V HA -0.031 4.089 4.120 -0.000 0.000 0.243 1759 V C 2.520 178.656 176.094 0.070 0.000 1.035 1759 V CA 1.699 64.038 62.300 0.064 0.000 1.035 1759 V CB -0.835 31.040 31.823 0.087 0.000 0.673 1759 V HN 0.511 nan 8.190 nan 0.000 0.457 1760 S N -0.309 115.427 115.700 0.061 0.000 2.374 1760 S HA -0.277 4.193 4.470 -0.000 0.000 0.227 1760 S C 2.194 176.816 174.600 0.036 0.000 1.037 1760 S CA 1.911 60.144 58.200 0.054 0.000 1.024 1760 S CB -0.274 62.954 63.200 0.046 0.000 0.861 1760 S HN 0.506 nan 8.310 nan 0.000 0.456 1761 R N -0.009 120.505 120.500 0.022 0.000 2.096 1761 R HA -0.011 4.329 4.340 -0.000 0.000 0.235 1761 R C 2.365 178.668 176.300 0.004 0.000 1.127 1761 R CA 1.434 57.536 56.100 0.002 0.000 0.968 1761 R CB -0.134 30.161 30.300 -0.008 0.000 0.861 1761 R HN 0.456 nan 8.270 nan 0.000 0.440 1762 Q N -0.741 119.072 119.800 0.022 0.000 2.408 1762 Q HA 0.018 4.358 4.340 -0.000 0.000 0.205 1762 Q C 1.861 177.885 176.000 0.040 0.000 0.919 1762 Q CA 1.069 56.888 55.803 0.027 0.000 0.932 1762 Q CB 0.930 29.688 28.738 0.033 0.000 1.058 1762 Q HN 0.343 nan 8.270 nan 0.000 0.517 1763 S N -0.102 115.627 115.700 0.048 0.000 2.438 1763 S HA -0.032 4.438 4.470 -0.000 0.000 0.220 1763 S C 1.961 176.576 174.600 0.025 0.000 1.045 1763 S CA 1.119 59.345 58.200 0.044 0.000 0.940 1763 S CB -0.305 62.934 63.200 0.064 0.000 0.863 1763 S HN 0.309 nan 8.310 nan 0.000 0.539 1764 T N -3.695 110.875 114.554 0.028 0.000 2.985 1764 T HA 0.340 4.690 4.350 -0.000 0.000 0.254 1764 T C 0.972 175.701 174.700 0.049 0.000 1.021 1764 T CA 0.830 62.949 62.100 0.031 0.000 0.957 1764 T CB 0.080 68.963 68.868 0.026 0.000 1.047 1764 T HN 0.373 nan 8.240 nan 0.000 0.511 1765 T N 0.830 115.404 114.554 0.034 0.000 10.716 1765 T HA -0.202 4.148 4.350 -0.000 0.000 0.368 1765 T C 0.155 174.871 174.700 0.027 0.000 1.780 1765 T CA 2.222 64.330 62.100 0.014 0.000 2.855 1765 T CB -1.911 66.969 68.868 0.021 0.000 2.435 1765 T HN 1.846 nan 8.240 nan 0.000 0.858 1766 S N -0.332 115.404 115.700 0.061 0.000 2.843 1766 S HA 0.426 4.896 4.470 -0.000 0.000 0.275 1766 S C -3.552 171.098 174.600 0.083 0.000 0.814 1766 S CA -0.956 57.284 58.200 0.067 0.000 0.912 1766 S CB 0.396 63.641 63.200 0.074 0.000 1.150 1766 S HN 0.129 nan 8.310 nan 0.000 0.502 1767 P HA 0.257 nan 4.420 nan 0.000 0.270 1767 P C -0.621 176.733 177.300 0.090 0.000 1.227 1767 P CA 0.032 63.176 63.100 0.074 0.000 0.788 1767 P CB 0.214 31.954 31.700 0.067 0.000 0.926 1768 D N 0.096 120.552 120.400 0.093 0.000 2.412 1768 D HA -0.031 4.609 4.640 -0.000 0.000 0.257 1768 D C 0.742 177.120 176.300 0.130 0.000 1.217 1768 D CA 0.656 54.718 54.000 0.103 0.000 0.897 1768 D CB 0.157 41.014 40.800 0.095 0.000 1.132 1768 D HN 0.213 nan 8.370 nan 0.000 0.493 1769 T N 4.649 119.289 114.554 0.144 0.000 2.624 1769 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 1769 T C 1.905 176.789 174.700 0.308 0.000 1.041 1769 T CA 0.914 63.136 62.100 0.204 0.000 1.159 1769 T CB -0.112 68.901 68.868 0.242 0.000 0.863 1769 T HN 0.483 nan 8.240 nan 0.000 0.434 1770 I N 1.945 122.679 120.570 0.274 0.000 2.118 1770 I HA -0.193 3.977 4.170 -0.000 0.000 0.241 1770 I C 2.954 179.278 176.117 0.345 0.000 1.070 1770 I CA 1.567 63.048 61.300 0.302 0.000 1.327 1770 I CB -1.761 36.365 38.000 0.209 0.000 1.034 1770 I HN 0.237 nan 8.210 nan 0.000 0.405 1771 A N -0.080 122.944 122.820 0.341 0.000 2.070 1771 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 1771 A C 2.238 179.923 177.584 0.169 0.000 1.159 1771 A CA 1.119 53.391 52.037 0.392 0.000 0.656 1771 A CB -0.500 18.794 19.000 0.488 0.000 0.800 1771 A HN 0.559 nan 8.150 nan 0.000 0.453 1772 Q N -1.645 118.225 119.800 0.116 0.000 2.083 1772 Q HA -0.187 4.153 4.340 -0.000 0.000 0.198 1772 Q C 1.820 177.758 176.000 -0.103 0.000 0.969 1772 Q CA 1.508 57.287 55.803 -0.041 0.000 0.838 1772 Q CB -0.206 28.442 28.738 -0.149 0.000 0.900 1772 Q HN 0.926 nan 8.270 nan 0.000 0.436 1773 W N 0.295 121.603 121.300 0.013 0.000 2.519 1773 W HA -0.003 4.657 4.660 -0.000 0.000 0.266 1773 W C 2.294 178.770 176.519 -0.070 0.000 1.253 1773 W CA 0.720 58.054 57.345 -0.018 0.000 1.274 1773 W CB -0.003 29.458 29.460 0.002 0.000 1.114 1773 W HN 0.145 nan 8.180 nan 0.000 0.596 1774 A N -0.434 122.449 122.820 0.106 0.000 1.968 1774 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 1774 A C 1.879 179.294 177.584 -0.283 0.000 1.169 1774 A CA 1.970 53.926 52.037 -0.134 0.000 0.638 1774 A CB -0.948 17.872 19.000 -0.300 0.000 0.812 1774 A HN 0.181 nan 8.150 nan 0.000 0.446 1775 T N 0.103 114.538 114.554 -0.198 0.000 2.896 1775 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 1775 T C 1.837 176.440 174.700 -0.161 0.000 1.050 1775 T CA 0.948 62.939 62.100 -0.181 0.000 1.140 1775 T CB -0.336 68.508 68.868 -0.040 0.000 0.877 1775 T HN 0.357 nan 8.240 nan 0.000 0.457 1776 L N 1.198 122.348 121.223 -0.121 0.000 2.051 1776 L HA -0.234 4.106 4.340 -0.000 0.000 0.214 1776 L C 2.693 179.502 176.870 -0.101 0.000 1.076 1776 L CA 1.991 56.767 54.840 -0.106 0.000 0.758 1776 L CB -0.247 41.777 42.059 -0.058 0.000 0.890 1776 L HN 0.268 nan 8.230 nan 0.000 0.433 1777 E N -0.026 120.107 120.200 -0.110 0.000 2.150 1777 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 1777 E C 1.879 178.339 176.600 -0.233 0.000 0.985 1777 E CA 1.376 57.699 56.400 -0.128 0.000 0.814 1777 E CB -0.090 29.540 29.700 -0.117 0.000 0.752 1777 E HN 0.504 nan 8.360 nan 0.000 0.466 1778 A N 0.533 123.105 122.820 -0.413 0.000 1.898 1778 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 1778 A C 2.252 179.574 177.584 -0.437 0.000 1.181 1778 A CA 1.253 52.873 52.037 -0.694 0.000 0.620 1778 A CB -0.579 17.775 19.000 -1.076 0.000 0.819 1778 A HN 0.345 nan 8.150 nan 0.000 0.442 1779 L N -0.228 120.852 121.223 -0.238 0.000 2.109 1779 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 1779 L C 2.802 179.622 176.870 -0.084 0.000 1.086 1779 L CA 1.740 56.513 54.840 -0.111 0.000 0.760 1779 L CB -0.639 41.349 42.059 -0.119 0.000 0.910 1779 L HN 0.637 nan 8.230 nan 0.000 0.437 1780 T N -4.492 110.014 114.554 -0.081 0.000 3.054 1780 T HA -0.031 4.319 4.350 -0.000 0.000 0.259 1780 T C 1.124 175.802 174.700 -0.036 0.000 1.092 1780 T CA -0.017 62.054 62.100 -0.049 0.000 1.121 1780 T CB -0.222 68.626 68.868 -0.033 0.000 0.912 1780 T HN 0.047 nan 8.240 nan 0.000 0.489 1781 N N 3.114 121.791 118.700 -0.039 0.000 2.868 1781 N HA 0.089 4.829 4.740 -0.000 0.000 0.252 1781 N C -0.418 175.068 175.510 -0.039 0.000 1.130 1781 N CA -0.166 52.869 53.050 -0.025 0.000 1.026 1781 N CB 0.270 38.773 38.487 0.028 0.000 1.335 1781 N HN 0.576 nan 8.380 nan 0.000 0.516 1782 Q N 1.058 120.837 119.800 -0.035 0.000 2.354 1782 Q HA 0.113 4.453 4.340 -0.000 0.000 0.244 1782 Q C 0.063 176.035 176.000 -0.047 0.000 0.969 1782 Q CA -0.213 55.574 55.803 -0.028 0.000 0.885 1782 Q CB 1.208 29.938 28.738 -0.014 0.000 1.241 1782 Q HN 0.387 nan 8.270 nan 0.000 0.461 1783 E N -0.730 119.442 120.200 -0.046 0.000 4.280 1783 E HA -0.259 4.091 4.350 -0.000 0.000 0.363 1783 E C 0.535 177.070 176.600 -0.109 0.000 0.588 1783 E CA 1.583 57.946 56.400 -0.062 0.000 1.520 1783 E CB -1.494 28.171 29.700 -0.057 0.000 1.861 1783 E HN 0.747 nan 8.360 nan 0.000 0.402 1784 A N -0.593 122.122 122.820 -0.175 0.000 1.909 1784 A HA 0.244 4.564 4.320 -0.000 0.000 0.209 1784 A C 2.052 179.519 177.584 -0.195 0.000 1.247 1784 A CA 1.226 53.053 52.037 -0.351 0.000 0.660 1784 A CB -0.340 18.151 19.000 -0.849 0.000 0.910 1784 A HN 0.171 nan 8.150 nan 0.000 0.465 1785 S N -0.156 115.508 115.700 -0.061 0.000 2.368 1785 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 1785 S C 2.047 176.705 174.600 0.096 0.000 1.030 1785 S CA 1.337 59.569 58.200 0.054 0.000 0.999 1785 S CB -0.380 62.779 63.200 -0.070 0.000 0.844 1785 S HN 0.570 nan 8.310 nan 0.000 0.459 1786 R N 1.206 121.726 120.500 0.033 0.000 2.139 1786 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 1786 R C 2.147 178.461 176.300 0.023 0.000 1.145 1786 R CA 1.361 57.475 56.100 0.025 0.000 0.976 1786 R CB -0.343 29.960 30.300 0.005 0.000 0.866 1786 R HN 0.423 nan 8.270 nan 0.000 0.449 1787 A N -0.045 122.785 122.820 0.017 0.000 1.935 1787 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 1787 A C 1.851 179.434 177.584 -0.002 0.000 1.178 1787 A CA 0.611 52.645 52.037 -0.005 0.000 0.640 1787 A CB -0.578 18.405 19.000 -0.027 0.000 0.825 1787 A HN 0.463 nan 8.150 nan 0.000 0.447 1788 F N 1.012 120.922 119.950 -0.068 0.000 2.075 1788 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 1788 F C 2.236 177.974 175.800 -0.104 0.000 1.113 1788 F CA 2.114 60.059 58.000 -0.091 0.000 1.218 1788 F CB -0.356 38.638 39.000 -0.011 0.000 0.984 1788 F HN 0.036 nan 8.300 nan 0.000 0.472 1789 V N 0.389 120.389 119.914 0.143 0.000 2.231 1789 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 1789 V C 1.827 177.878 176.094 -0.071 0.000 1.054 1789 V CA 2.126 64.459 62.300 0.054 0.000 1.015 1789 V CB -0.799 31.049 31.823 0.042 0.000 0.638 1789 V HN 0.240 nan 8.190 nan 0.000 0.444 1790 E N -0.596 119.574 120.200 -0.050 0.000 2.381 1790 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 1790 E C 1.168 177.689 176.600 -0.130 0.000 1.204 1790 E CA 0.565 56.931 56.400 -0.056 0.000 0.998 1790 E CB -0.051 29.636 29.700 -0.022 0.000 1.080 1790 E HN 0.661 nan 8.360 nan 0.000 0.481 1791 M N -1.760 117.679 119.600 -0.267 0.000 2.274 1791 M HA 0.130 4.610 4.480 -0.000 0.000 0.214 1791 M C 1.694 177.700 176.300 -0.490 0.000 1.526 1791 M CA 0.665 55.755 55.300 -0.349 0.000 1.043 1791 M CB 0.092 32.422 32.600 -0.450 0.000 1.505 1791 M HN 0.049 nan 8.290 nan 0.000 0.561 1792 A N 1.742 124.111 122.820 -0.751 0.000 1.892 1792 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 1792 A C 2.168 179.411 177.584 -0.568 0.000 1.188 1792 A CA 2.208 53.718 52.037 -0.878 0.000 0.631 1792 A CB -0.966 17.622 19.000 -0.687 0.000 0.822 1792 A HN 0.631 nan 8.150 nan 0.000 0.447 1793 R N -0.654 119.778 120.500 -0.113 0.000 2.103 1793 R HA -0.226 4.114 4.340 -0.000 0.000 0.234 1793 R C 2.044 178.422 176.300 0.130 0.000 1.132 1793 R CA 2.126 58.356 56.100 0.216 0.000 0.925 1793 R CB -0.346 30.089 30.300 0.226 0.000 0.842 1793 R HN 0.468 nan 8.270 nan 0.000 0.430 1794 E N -0.220 119.983 120.200 0.004 0.000 2.338 1794 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 1794 E C 1.409 177.964 176.600 -0.074 0.000 1.007 1794 E CA 1.017 57.401 56.400 -0.027 0.000 0.849 1794 E CB 0.009 29.690 29.700 -0.032 0.000 0.774 1794 E HN 0.474 nan 8.360 nan 0.000 0.506 1795 A N -0.270 122.476 122.820 -0.124 0.000 1.825 1795 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 1795 A C 1.910 179.465 177.584 -0.049 0.000 1.206 1795 A CA 1.417 53.397 52.037 -0.095 0.000 0.609 1795 A CB -1.140 17.831 19.000 -0.048 0.000 0.851 1795 A HN 0.408 nan 8.150 nan 0.000 0.445 1796 Y N -0.297 120.079 120.300 0.126 0.000 2.241 1796 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 1796 Y C 2.609 178.373 175.900 -0.226 0.000 1.166 1796 Y CA 1.540 59.709 58.100 0.116 0.000 1.203 1796 Y CB -0.267 38.414 38.460 0.368 0.000 0.977 1796 Y HN 0.305 nan 8.280 nan 0.000 0.529 1797 R N 1.058 121.400 120.500 -0.264 0.000 2.096 1797 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 1797 R C 2.467 178.572 176.300 -0.325 0.000 1.127 1797 R CA 1.607 57.384 56.100 -0.539 0.000 0.968 1797 R CB -0.233 29.864 30.300 -0.339 0.000 0.861 1797 R HN 0.304 nan 8.270 nan 0.000 0.440 1798 R N 0.269 120.658 120.500 -0.184 0.000 2.090 1798 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 1798 R C 2.153 178.365 176.300 -0.147 0.000 1.110 1798 R CA 1.108 57.126 56.100 -0.136 0.000 0.973 1798 R CB 0.005 30.255 30.300 -0.083 0.000 0.869 1798 R HN 0.222 nan 8.270 nan 0.000 0.440 1799 R N -0.019 120.402 120.500 -0.131 0.000 2.092 1799 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 1799 R C 2.439 178.562 176.300 -0.294 0.000 1.119 1799 R CA 0.827 56.862 56.100 -0.108 0.000 0.970 1799 R CB -0.399 29.926 30.300 0.042 0.000 0.864 1799 R HN 0.087 nan 8.270 nan 0.000 0.440 1800 R N 1.601 121.765 120.500 -0.559 0.000 2.083 1800 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 1800 R C 0.954 177.005 176.300 -0.415 0.000 1.137 1800 R CA 1.839 57.403 56.100 -0.894 0.000 0.951 1800 R CB -0.399 29.394 30.300 -0.844 0.000 0.851 1800 R HN 0.254 nan 8.270 nan 0.000 0.434 1801 D N 0.338 120.574 120.400 -0.272 0.000 2.347 1801 D HA -0.084 4.556 4.640 -0.000 0.000 0.213 1801 D C 1.844 178.081 176.300 -0.105 0.000 0.985 1801 D CA 0.271 54.180 54.000 -0.153 0.000 0.879 1801 D CB 0.145 40.874 40.800 -0.118 0.000 0.919 1801 D HN 0.245 nan 8.370 nan 0.000 0.526 1802 L N 0.313 121.468 121.223 -0.112 0.000 2.084 1802 L HA -0.001 4.339 4.340 -0.000 0.000 0.202 1802 L C 2.332 179.170 176.870 -0.052 0.000 1.074 1802 L CA 0.509 55.307 54.840 -0.069 0.000 0.757 1802 L CB -0.079 41.941 42.059 -0.065 0.000 0.918 1802 L HN -0.047 nan 8.230 nan 0.000 0.444 1803 L N -0.435 120.750 121.223 -0.062 0.000 1.963 1803 L HA -0.316 4.024 4.340 -0.000 0.000 0.220 1803 L C 2.601 179.481 176.870 0.018 0.000 1.076 1803 L CA 1.637 56.472 54.840 -0.007 0.000 0.772 1803 L CB -0.433 41.632 42.059 0.010 0.000 0.892 1803 L HN 0.339 nan 8.230 nan 0.000 0.435 1804 L N -0.146 121.068 121.223 -0.016 0.000 2.013 1804 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 1804 L C 2.524 179.405 176.870 0.018 0.000 1.073 1804 L CA 2.177 57.023 54.840 0.011 0.000 0.753 1804 L CB -1.252 40.797 42.059 -0.016 0.000 0.890 1804 L HN 0.504 nan 8.230 nan 0.000 0.432 1805 E N -0.377 119.822 120.200 -0.001 0.000 2.031 1805 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 1805 E C 2.113 178.725 176.600 0.019 0.000 0.994 1805 E CA 1.271 57.674 56.400 0.005 0.000 0.800 1805 E CB -0.175 29.520 29.700 -0.008 0.000 0.752 1805 E HN 0.460 nan 8.360 nan 0.000 0.447 1806 G N 1.071 109.883 108.800 0.020 0.000 2.432 1806 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 1806 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 1806 G C 1.581 176.524 174.900 0.071 0.000 1.135 1806 G CA 0.443 45.563 45.100 0.034 0.000 0.767 1806 G HN 0.204 nan 8.290 nan 0.000 0.550 1807 L N 0.085 121.363 121.223 0.090 0.000 2.027 1807 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 1807 L C 3.147 180.068 176.870 0.085 0.000 1.074 1807 L CA 1.484 56.401 54.840 0.129 0.000 0.745 1807 L CB -0.461 41.685 42.059 0.144 0.000 0.898 1807 L HN 0.165 nan 8.230 nan 0.000 0.433 1808 T N -0.462 114.129 114.554 0.062 0.000 2.915 1808 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 1808 T C 1.813 176.536 174.700 0.039 0.000 1.071 1808 T CA 1.097 63.224 62.100 0.046 0.000 1.132 1808 T CB -0.029 68.861 68.868 0.037 0.000 0.878 1808 T HN 0.430 nan 8.240 nan 0.000 0.479 1809 A N 0.955 123.799 122.820 0.039 0.000 1.929 1809 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 1809 A C 2.182 179.789 177.584 0.038 0.000 1.176 1809 A CA 0.833 52.889 52.037 0.032 0.000 0.628 1809 A CB -0.613 18.404 19.000 0.028 0.000 0.816 1809 A HN 0.465 nan 8.150 nan 0.000 0.444 1810 L N -1.700 119.556 121.223 0.055 0.000 2.275 1810 L HA 0.013 4.353 4.340 -0.000 0.000 0.215 1810 L C 2.003 178.899 176.870 0.044 0.000 1.119 1810 L CA 0.976 55.852 54.840 0.061 0.000 0.790 1810 L CB -0.180 41.940 42.059 0.102 0.000 0.919 1810 L HN 0.646 nan 8.230 nan 0.000 0.443 1811 G N -0.650 108.173 108.800 0.038 0.000 2.307 1811 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.210 1811 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.210 1811 G C 0.158 175.070 174.900 0.020 0.000 1.005 1811 G CA -0.359 44.756 45.100 0.024 0.000 0.634 1811 G HN 0.115 nan 8.290 nan 0.000 0.496 1812 L N 1.783 123.019 121.223 0.023 0.000 2.485 1812 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 1812 L C 0.828 177.716 176.870 0.029 0.000 1.207 1812 L CA 0.524 55.369 54.840 0.009 0.000 0.855 1812 L CB 0.447 42.505 42.059 -0.002 0.000 1.114 1812 L HN 0.149 nan 8.230 nan 0.000 0.485 1813 K N 2.586 123.000 120.400 0.023 0.000 2.156 1813 K HA 0.842 5.162 4.320 -0.000 0.000 0.271 1813 K C -0.595 176.058 176.600 0.088 0.000 0.995 1813 K CA -0.557 55.760 56.287 0.049 0.000 0.890 1813 K CB 1.741 34.264 32.500 0.039 0.000 1.073 1813 K HN 0.693 nan 8.250 nan 0.000 0.454 1814 A N 1.649 124.535 122.820 0.109 0.000 2.606 1814 A HA 0.422 4.742 4.320 -0.000 0.000 0.293 1814 A C -1.351 176.322 177.584 0.149 0.000 1.082 1814 A CA -0.707 51.421 52.037 0.152 0.000 0.685 1814 A CB 1.487 20.574 19.000 0.146 0.000 1.284 1814 A HN 0.406 nan 8.150 nan 0.000 0.408 1815 V N 2.562 122.593 119.914 0.195 0.000 2.432 1815 V HA 0.246 4.366 4.120 -0.000 0.000 0.271 1815 V C 0.917 177.114 176.094 0.171 0.000 1.046 1815 V CA -0.304 62.113 62.300 0.194 0.000 0.945 1815 V CB 0.991 33.014 31.823 0.334 0.000 0.992 1815 V HN 0.799 nan 8.190 nan 0.000 0.471 1816 R N 8.035 128.614 120.500 0.132 0.000 2.446 1816 R HA 0.148 4.488 4.340 -0.000 0.000 0.325 1816 R C -2.125 174.265 176.300 0.150 0.000 0.997 1816 R CA -0.978 55.193 56.100 0.119 0.000 1.010 1816 R CB 0.565 30.917 30.300 0.087 0.000 0.946 1816 R HN 0.526 nan 8.270 nan 0.000 0.422 1817 P HA 0.111 nan 4.420 nan 0.000 0.276 1817 P C -0.539 176.895 177.300 0.224 0.000 1.244 1817 P CA -0.316 62.906 63.100 0.204 0.000 0.801 1817 P CB 1.523 33.387 31.700 0.273 0.000 1.006 1818 S N -0.563 115.237 115.700 0.167 0.000 2.524 1818 S HA 0.345 4.815 4.470 -0.000 0.000 0.222 1818 S C 0.795 175.363 174.600 -0.054 0.000 1.040 1818 S CA 0.262 58.550 58.200 0.146 0.000 0.915 1818 S CB 0.426 63.679 63.200 0.089 0.000 0.831 1818 S HN 0.813 nan 8.310 nan 0.000 0.492 1819 G N 0.093 108.816 108.800 -0.129 0.000 2.725 1819 G HA2 0.712 4.672 3.960 -0.000 0.000 0.288 1819 G HA3 0.712 4.672 3.960 -0.000 0.000 0.288 1819 G C -0.588 174.162 174.900 -0.251 0.000 1.399 1819 G CA -0.064 44.803 45.100 -0.389 0.000 0.859 1819 G HN 0.801 nan 8.290 nan 0.000 0.479 1820 A N -1.302 121.323 122.820 -0.325 0.000 6.702 1820 A HA 0.214 4.534 4.320 -0.000 0.000 0.279 1820 A C 0.017 177.407 177.584 -0.323 0.000 2.141 1820 A CA 1.064 52.821 52.037 -0.466 0.000 0.658 1820 A CB -1.367 17.185 19.000 -0.747 0.000 1.332 1820 A HN 2.319 nan 8.150 nan 0.000 0.388 1821 F N -2.481 117.057 119.950 -0.686 0.000 2.831 1821 F HA 0.726 5.253 4.527 0.000 0.000 0.355 1821 F C -0.376 174.538 175.800 -1.478 0.000 1.341 1821 F CA -1.033 56.316 58.000 -1.085 0.000 1.201 1821 F CB -0.751 37.616 39.000 -1.056 0.000 1.058 1821 F HN 0.489 nan 8.300 nan 0.000 0.514 1822 Y N -1.014 119.140 120.300 -0.244 0.000 2.602 1822 Y HA 0.812 5.362 4.550 -0.000 0.000 0.342 1822 Y C -0.572 175.369 175.900 0.070 0.000 1.029 1822 Y CA -1.845 56.171 58.100 -0.141 0.000 1.080 1822 Y CB 2.562 40.902 38.460 -0.199 0.000 1.284 1822 Y HN -0.133 nan 8.280 nan 0.000 0.485 1823 V N 2.844 122.903 119.914 0.241 0.000 2.752 1823 V HA 0.274 4.394 4.120 -0.000 0.000 0.302 1823 V C -0.916 175.241 176.094 0.104 0.000 1.133 1823 V CA -0.844 61.586 62.300 0.217 0.000 0.919 1823 V CB 2.054 34.053 31.823 0.294 0.000 1.026 1823 V HN 0.578 nan 8.190 nan 0.000 0.429 1824 L N 4.937 126.184 121.223 0.042 0.000 2.292 1824 L HA 0.611 4.951 4.340 -0.000 0.000 0.284 1824 L C -0.100 176.864 176.870 0.157 0.000 1.065 1824 L CA -0.076 54.761 54.840 -0.006 0.000 0.806 1824 L CB 1.469 43.415 42.059 -0.188 0.000 1.175 1824 L HN 0.646 nan 8.230 nan 0.000 0.431 1825 M N 2.750 122.449 119.600 0.165 0.000 2.436 1825 M HA 0.270 4.750 4.480 -0.000 0.000 0.331 1825 M C -0.934 175.428 176.300 0.103 0.000 1.135 1825 M CA -0.679 54.709 55.300 0.147 0.000 0.987 1825 M CB 1.818 34.457 32.600 0.065 0.000 1.687 1825 M HN 0.365 nan 8.290 nan 0.000 0.445 1826 D N 2.524 122.933 120.400 0.013 0.000 2.416 1826 D HA 0.068 4.708 4.640 -0.000 0.000 0.240 1826 D C 1.186 177.383 176.300 -0.173 0.000 1.250 1826 D CA 0.280 54.143 54.000 -0.229 0.000 0.967 1826 D CB 0.705 41.401 40.800 -0.173 0.000 1.059 1826 D HN 0.684 nan 8.370 nan 0.000 0.512 1827 T N -0.400 114.050 114.554 -0.174 0.000 3.139 1827 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 1827 T C 1.955 176.590 174.700 -0.108 0.000 1.164 1827 T CA 0.852 62.874 62.100 -0.129 0.000 1.075 1827 T CB -0.128 68.683 68.868 -0.094 0.000 0.904 1827 T HN 0.187 nan 8.240 nan 0.000 0.540 1828 S N 2.987 118.615 115.700 -0.120 0.000 2.390 1828 S HA -0.107 4.363 4.470 -0.000 0.000 0.234 1828 S C -0.068 174.498 174.600 -0.058 0.000 1.063 1828 S CA 1.760 59.910 58.200 -0.084 0.000 1.108 1828 S CB -0.974 62.176 63.200 -0.083 0.000 0.975 1828 S HN 0.654 nan 8.310 nan 0.000 0.442 1829 P HA 0.294 nan 4.420 nan 0.000 0.267 1829 P C 1.149 178.421 177.300 -0.047 0.000 1.289 1829 P CA 0.144 63.218 63.100 -0.042 0.000 0.866 1829 P CB 0.009 31.688 31.700 -0.035 0.000 1.309 1830 I N -1.079 119.452 120.570 -0.065 0.000 3.462 1830 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 1830 I C 0.773 176.861 176.117 -0.048 0.000 1.236 1830 I CA 0.237 61.496 61.300 -0.069 0.000 1.418 1830 I CB 0.403 38.333 38.000 -0.117 0.000 1.102 1830 I HN -0.074 nan 8.210 nan 0.000 0.441 1831 A N 0.069 122.863 122.820 -0.043 0.000 2.483 1831 A HA 0.472 4.792 4.320 -0.000 0.000 0.306 1831 A C -2.343 175.226 177.584 -0.026 0.000 1.137 1831 A CA -0.427 51.593 52.037 -0.028 0.000 0.626 1831 A CB -0.014 18.972 19.000 -0.024 0.000 1.352 1831 A HN -0.079 nan 8.150 nan 0.000 0.508 1832 P HA 0.192 nan 4.420 nan 0.000 0.260 1832 P C -0.547 176.749 177.300 -0.007 0.000 1.222 1832 P CA 0.911 64.003 63.100 -0.014 0.000 0.843 1832 P CB 0.705 32.399 31.700 -0.009 0.000 1.159 1833 D N 0.209 120.608 120.400 -0.000 0.000 2.552 1833 D HA 0.022 4.662 4.640 -0.000 0.000 0.239 1833 D C 0.454 176.767 176.300 0.022 0.000 1.139 1833 D CA -0.358 53.652 54.000 0.018 0.000 0.914 1833 D CB 1.687 42.497 40.800 0.017 0.000 1.461 1833 D HN -0.211 nan 8.370 nan 0.000 0.462 1834 E N 1.146 121.377 120.200 0.052 0.000 2.494 1834 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 1834 E C 0.536 177.165 176.600 0.048 0.000 1.074 1834 E CA 0.324 56.754 56.400 0.050 0.000 0.867 1834 E CB -0.012 29.738 29.700 0.084 0.000 0.924 1834 E HN 0.251 nan 8.360 nan 0.000 0.502 1835 V N 0.136 120.077 119.914 0.045 0.000 2.908 1835 V HA 0.095 4.215 4.120 -0.000 0.000 0.240 1835 V C 2.146 178.255 176.094 0.026 0.000 1.117 1835 V CA 0.587 62.912 62.300 0.041 0.000 1.133 1835 V CB -0.192 31.657 31.823 0.045 0.000 0.857 1835 V HN 0.075 nan 8.190 nan 0.000 0.478 1836 R N 1.408 121.918 120.500 0.018 0.000 2.090 1836 R HA 0.094 4.434 4.340 -0.000 0.000 0.228 1836 R C 2.357 178.660 176.300 0.004 0.000 1.110 1836 R CA 1.432 57.538 56.100 0.010 0.000 0.973 1836 R CB -0.803 29.501 30.300 0.006 0.000 0.869 1836 R HN 0.491 nan 8.270 nan 0.000 0.440 1837 A N 0.865 123.684 122.820 -0.001 0.000 1.933 1837 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 1837 A C 2.299 179.874 177.584 -0.015 0.000 1.175 1837 A CA 1.702 53.728 52.037 -0.018 0.000 0.628 1837 A CB -0.779 18.202 19.000 -0.031 0.000 0.814 1837 A HN 0.371 nan 8.150 nan 0.000 0.444 1838 A N 0.643 123.465 122.820 0.005 0.000 1.873 1838 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 1838 A C 1.923 179.521 177.584 0.024 0.000 1.186 1838 A CA 1.557 53.605 52.037 0.018 0.000 0.616 1838 A CB -0.555 18.465 19.000 0.033 0.000 0.823 1838 A HN 0.713 nan 8.150 nan 0.000 0.442 1839 E N -0.442 119.771 120.200 0.022 0.000 2.152 1839 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 1839 E C 2.036 178.650 176.600 0.023 0.000 0.983 1839 E CA 1.028 57.443 56.400 0.025 0.000 0.818 1839 E CB -0.300 29.413 29.700 0.022 0.000 0.758 1839 E HN 0.525 nan 8.360 nan 0.000 0.467 1840 R N 1.809 122.318 120.500 0.015 0.000 2.105 1840 R HA -0.089 4.251 4.340 -0.000 0.000 0.239 1840 R C 2.008 178.323 176.300 0.024 0.000 1.135 1840 R CA 1.199 57.307 56.100 0.013 0.000 0.967 1840 R CB -0.448 29.851 30.300 -0.002 0.000 0.861 1840 R HN 0.240 nan 8.270 nan 0.000 0.442 1841 L N -0.288 120.950 121.223 0.025 0.000 2.240 1841 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 1841 L C 2.238 179.158 176.870 0.084 0.000 1.106 1841 L CA 0.527 55.403 54.840 0.060 0.000 0.793 1841 L CB -0.189 41.897 42.059 0.044 0.000 0.927 1841 L HN 0.264 nan 8.230 nan 0.000 0.446 1842 L N -0.376 120.884 121.223 0.061 0.000 2.240 1842 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 1842 L C 2.404 179.304 176.870 0.049 0.000 1.106 1842 L CA 0.919 55.794 54.840 0.057 0.000 0.793 1842 L CB 0.041 42.127 42.059 0.045 0.000 0.927 1842 L HN 0.284 nan 8.230 nan 0.000 0.446 1843 E N -0.122 120.104 120.200 0.044 0.000 2.153 1843 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 1843 E C 1.714 178.340 176.600 0.043 0.000 0.988 1843 E CA 1.028 57.450 56.400 0.037 0.000 0.811 1843 E CB 0.044 29.762 29.700 0.030 0.000 0.746 1843 E HN 0.538 nan 8.360 nan 0.000 0.466 1844 A N -0.106 122.750 122.820 0.059 0.000 2.307 1844 A HA 0.320 4.640 4.320 -0.000 0.000 0.218 1844 A C 1.130 178.753 177.584 0.065 0.000 1.228 1844 A CA 0.611 52.689 52.037 0.068 0.000 0.857 1844 A CB -0.178 18.882 19.000 0.099 0.000 0.897 1844 A HN 0.314 nan 8.150 nan 0.000 0.495 1845 G N -1.117 107.718 108.800 0.058 0.000 2.326 1845 G HA2 0.021 3.981 3.960 -0.000 0.000 0.286 1845 G HA3 0.021 3.981 3.960 -0.000 0.000 0.286 1845 G C -0.251 174.682 174.900 0.056 0.000 1.096 1845 G CA 0.333 45.461 45.100 0.047 0.000 1.003 1845 G HN 1.503 nan 8.290 nan 0.000 0.503 1846 V N -0.229 119.736 119.914 0.086 0.000 2.663 1846 V HA 0.725 4.845 4.120 -0.000 0.000 0.286 1846 V C 0.191 176.360 176.094 0.125 0.000 1.085 1846 V CA 0.069 62.435 62.300 0.111 0.000 0.916 1846 V CB 1.298 33.228 31.823 0.178 0.000 1.039 1846 V HN 1.835 nan 8.190 nan 0.000 0.453 1847 A N 6.776 129.652 122.820 0.092 0.000 2.347 1847 A HA 0.748 5.068 4.320 -0.000 0.000 0.287 1847 A C -0.060 177.586 177.584 0.104 0.000 1.199 1847 A CA 0.217 52.305 52.037 0.086 0.000 0.851 1847 A CB 0.679 19.717 19.000 0.063 0.000 1.118 1847 A HN 1.768 nan 8.150 nan 0.000 0.525 1848 V N 0.824 120.801 119.914 0.104 0.000 3.103 1848 V HA 0.850 4.970 4.120 -0.000 0.000 0.318 1848 V C -0.304 175.843 176.094 0.087 0.000 1.114 1848 V CA -0.864 61.500 62.300 0.106 0.000 1.020 1848 V CB 1.710 33.594 31.823 0.103 0.000 1.085 1848 V HN 0.529 nan 8.190 nan 0.000 0.446 1849 V N 1.898 121.863 119.914 0.085 0.000 2.378 1849 V HA 0.449 4.569 4.120 -0.000 0.000 0.288 1849 V C -2.489 173.661 176.094 0.094 0.000 1.016 1849 V CA -1.837 60.526 62.300 0.106 0.000 0.840 1849 V CB 1.289 33.203 31.823 0.152 0.000 0.994 1849 V HN 0.869 nan 8.190 nan 0.000 0.431 1850 P HA 0.086 nan 4.420 nan 0.000 0.264 1850 P C 1.120 178.500 177.300 0.133 0.000 1.193 1850 P CA 0.249 63.404 63.100 0.092 0.000 0.763 1850 P CB 0.751 32.503 31.700 0.087 0.000 0.810 1851 G N 2.312 111.150 108.800 0.063 0.000 2.708 1851 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.210 1851 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.210 1851 G C 1.215 176.122 174.900 0.011 0.000 1.141 1851 G CA 0.483 45.595 45.100 0.019 0.000 0.788 1851 G HN 0.387 nan 8.290 nan 0.000 0.531 1852 T N 1.191 115.780 114.554 0.059 0.000 2.653 1852 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 1852 T C 1.569 176.235 174.700 -0.056 0.000 1.035 1852 T CA 1.601 63.736 62.100 0.058 0.000 1.154 1852 T CB -0.177 68.778 68.868 0.145 0.000 0.862 1852 T HN 0.270 nan 8.240 nan 0.000 0.441 1853 D N -0.191 120.159 120.400 -0.084 0.000 2.319 1853 D HA 0.151 4.791 4.640 -0.000 0.000 0.230 1853 D C 0.460 176.433 176.300 -0.546 0.000 1.094 1853 D CA 0.214 54.062 54.000 -0.255 0.000 0.856 1853 D CB -0.002 40.633 40.800 -0.275 0.000 0.915 1853 D HN 0.425 nan 8.370 nan 0.000 0.517 1854 F N 0.026 119.658 119.950 -0.531 0.000 2.706 1854 F HA 0.330 4.857 4.527 -0.000 0.000 0.313 1854 F C 1.366 176.542 175.800 -1.040 0.000 1.096 1854 F CA -0.233 57.299 58.000 -0.780 0.000 1.219 1854 F CB 0.415 39.120 39.000 -0.492 0.000 1.051 1854 F HN -0.114 nan 8.300 nan 0.000 0.568 1855 A N 0.790 123.128 122.820 -0.803 0.000 2.872 1855 A HA -0.071 4.249 4.320 -0.000 0.000 0.273 1855 A C 0.763 177.740 177.584 -1.011 0.000 1.442 1855 A CA 0.702 52.094 52.037 -1.075 0.000 0.801 1855 A CB -2.011 16.710 19.000 -0.466 0.000 1.031 1855 A HN 0.679 nan 8.150 nan 0.000 0.582 1856 A N -0.069 122.270 122.820 -0.802 0.000 3.158 1856 A HA 0.640 4.960 4.320 -0.000 0.000 0.319 1856 A C -0.018 177.419 177.584 -0.245 0.000 1.204 1856 A CA -0.492 51.282 52.037 -0.438 0.000 0.992 1856 A CB -0.499 18.263 19.000 -0.397 0.000 1.110 1856 A HN 0.838 nan 8.150 nan 0.000 0.519 1857 F N 0.619 120.640 119.950 0.119 0.000 2.578 1857 F HA 0.378 4.905 4.527 -0.000 0.000 0.376 1857 F C 1.603 177.507 175.800 0.173 0.000 1.085 1857 F CA 1.313 59.389 58.000 0.126 0.000 1.260 1857 F CB 0.622 39.672 39.000 0.084 0.000 1.095 1857 F HN 0.661 nan 8.300 nan 0.000 0.573 1858 G N 1.696 110.647 108.800 0.252 0.000 2.212 1858 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.255 1858 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.255 1858 G C -0.619 174.196 174.900 -0.142 0.000 1.062 1858 G CA -0.212 44.923 45.100 0.059 0.000 0.815 1858 G HN 0.912 nan 8.290 nan 0.000 0.497 1859 H N -2.582 116.505 119.070 0.027 0.000 3.017 1859 H HA 0.753 5.309 4.556 -0.000 0.000 0.346 1859 H C -0.910 174.391 175.328 -0.045 0.000 1.286 1859 H CA -0.312 55.727 56.048 -0.015 0.000 1.120 1859 H CB 2.529 32.269 29.762 -0.036 0.000 1.860 1859 H HN 0.507 nan 8.280 nan 0.000 0.542 1860 V N 1.266 121.223 119.914 0.072 0.000 2.851 1860 V HA 0.356 4.476 4.120 -0.000 0.000 0.307 1860 V C -0.969 175.110 176.094 -0.025 0.000 1.129 1860 V CA -0.742 61.562 62.300 0.006 0.000 0.932 1860 V CB 2.021 33.845 31.823 0.002 0.000 1.024 1860 V HN 0.708 nan 8.190 nan 0.000 0.426 1861 R N 5.790 126.232 120.500 -0.097 0.000 2.272 1861 R HA 0.448 4.788 4.340 -0.000 0.000 0.334 1861 R C -0.723 175.592 176.300 0.024 0.000 1.117 1861 R CA -0.288 55.737 56.100 -0.125 0.000 0.966 1861 R CB 0.114 30.183 30.300 -0.384 0.000 1.049 1861 R HN 0.668 nan 8.270 nan 0.000 0.477 1862 L N 1.807 123.089 121.223 0.097 0.000 2.453 1862 L HA 0.204 4.544 4.340 -0.000 0.000 0.261 1862 L C 0.555 177.526 176.870 0.169 0.000 1.179 1862 L CA -0.102 54.839 54.840 0.169 0.000 0.813 1862 L CB 1.480 43.681 42.059 0.236 0.000 1.110 1862 L HN 0.513 nan 8.230 nan 0.000 0.466 1863 S N 0.142 115.918 115.700 0.126 0.000 2.620 1863 S HA 0.247 4.717 4.470 -0.000 0.000 0.244 1863 S C 0.104 174.636 174.600 -0.114 0.000 1.192 1863 S CA -0.772 57.421 58.200 -0.011 0.000 1.148 1863 S CB 0.211 63.466 63.200 0.091 0.000 1.106 1863 S HN 0.486 nan 8.310 nan 0.000 0.474 1864 Y N 2.271 122.576 120.300 0.007 0.000 2.584 1864 Y HA 0.403 4.953 4.550 -0.000 0.000 0.317 1864 Y C 1.522 177.346 175.900 -0.127 0.000 1.208 1864 Y CA 0.201 58.278 58.100 -0.039 0.000 1.299 1864 Y CB -0.801 37.662 38.460 0.006 0.000 1.047 1864 Y HN 0.644 nan 8.280 nan 0.000 0.506 1865 A N 0.292 122.828 122.820 -0.474 0.000 2.235 1865 A HA 0.028 4.348 4.320 -0.000 0.000 0.208 1865 A C 1.462 178.823 177.584 -0.373 0.000 1.172 1865 A CA 0.776 52.395 52.037 -0.697 0.000 0.786 1865 A CB -0.810 17.139 19.000 -1.752 0.000 0.804 1865 A HN 0.522 nan 8.150 nan 0.000 0.479 1866 T N -1.098 113.328 114.554 -0.212 0.000 2.884 1866 T HA 0.446 4.796 4.350 -0.000 0.000 0.277 1866 T C 0.735 175.359 174.700 -0.127 0.000 0.976 1866 T CA 0.264 62.270 62.100 -0.156 0.000 0.956 1866 T CB 0.733 69.541 68.868 -0.101 0.000 1.113 1866 T HN 0.655 nan 8.240 nan 0.000 0.554 1867 S N 0.564 116.191 115.700 -0.122 0.000 2.569 1867 S HA 0.043 4.513 4.470 -0.000 0.000 0.274 1867 S C 1.150 175.708 174.600 -0.070 0.000 1.353 1867 S CA -0.021 58.112 58.200 -0.112 0.000 1.023 1867 S CB 0.417 63.562 63.200 -0.092 0.000 0.876 1867 S HN 0.890 nan 8.310 nan 0.000 0.540 1868 E N 1.045 121.207 120.200 -0.063 0.000 2.274 1868 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 1868 E C 1.230 177.802 176.600 -0.046 0.000 0.996 1868 E CA 1.112 57.486 56.400 -0.044 0.000 0.840 1868 E CB -0.136 29.539 29.700 -0.041 0.000 0.772 1868 E HN 0.896 nan 8.360 nan 0.000 0.491 1869 E N -0.213 119.958 120.200 -0.049 0.000 2.481 1869 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 1869 E C 0.961 177.528 176.600 -0.055 0.000 1.047 1869 E CA 0.256 56.627 56.400 -0.047 0.000 0.867 1869 E CB -0.335 29.340 29.700 -0.041 0.000 0.858 1869 E HN 0.401 nan 8.360 nan 0.000 0.513 1870 N N 0.522 119.187 118.700 -0.059 0.000 2.405 1870 N HA 0.129 4.869 4.740 -0.000 0.000 0.175 1870 N C 1.810 177.268 175.510 -0.088 0.000 1.051 1870 N CA -0.043 52.967 53.050 -0.067 0.000 0.899 1870 N CB 0.274 38.726 38.487 -0.059 0.000 1.000 1870 N HN 0.040 nan 8.380 nan 0.000 0.451 1871 L N 0.640 121.819 121.223 -0.075 0.000 2.131 1871 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 1871 L C 2.464 179.261 176.870 -0.121 0.000 1.087 1871 L CA 0.798 55.585 54.840 -0.088 0.000 0.767 1871 L CB -0.147 41.889 42.059 -0.038 0.000 0.917 1871 L HN 0.075 nan 8.230 nan 0.000 0.441 1872 R N 0.012 120.459 120.500 -0.088 0.000 2.120 1872 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 1872 R C 2.316 178.558 176.300 -0.096 0.000 1.123 1872 R CA 1.353 57.405 56.100 -0.081 0.000 0.975 1872 R CB 0.051 30.317 30.300 -0.056 0.000 0.866 1872 R HN 0.208 nan 8.270 nan 0.000 0.446 1873 K N -0.640 119.699 120.400 -0.102 0.000 2.067 1873 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 1873 K C 1.929 178.433 176.600 -0.160 0.000 1.048 1873 K CA 0.919 57.147 56.287 -0.099 0.000 0.954 1873 K CB 0.047 32.502 32.500 -0.074 0.000 0.737 1873 K HN 0.122 nan 8.250 nan 0.000 0.444 1874 A N 1.033 123.715 122.820 -0.231 0.000 1.933 1874 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 1874 A C 1.963 179.091 177.584 -0.760 0.000 1.175 1874 A CA 1.190 52.966 52.037 -0.436 0.000 0.628 1874 A CB -0.433 18.308 19.000 -0.432 0.000 0.814 1874 A HN 0.266 nan 8.150 nan 0.000 0.444 1875 L N -0.491 120.429 121.223 -0.506 0.000 2.217 1875 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 1875 L C 2.354 179.130 176.870 -0.157 0.000 1.107 1875 L CA 1.997 56.614 54.840 -0.373 0.000 0.783 1875 L CB -0.235 41.725 42.059 -0.165 0.000 0.919 1875 L HN 0.641 nan 8.230 nan 0.000 0.442 1876 E N -0.519 119.603 120.200 -0.131 0.000 2.028 1876 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 1876 E C 2.274 178.870 176.600 -0.006 0.000 0.984 1876 E CA 0.752 57.124 56.400 -0.045 0.000 0.800 1876 E CB -0.004 29.669 29.700 -0.045 0.000 0.758 1876 E HN 0.380 nan 8.360 nan 0.000 0.448 1877 R N -0.330 120.150 120.500 -0.033 0.000 2.127 1877 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 1877 R C 2.340 178.758 176.300 0.197 0.000 1.134 1877 R CA 1.384 57.515 56.100 0.050 0.000 0.975 1877 R CB -0.296 30.022 30.300 0.030 0.000 0.865 1877 R HN 0.318 nan 8.270 nan 0.000 0.447 1878 F N 0.653 120.612 119.950 0.015 0.000 2.084 1878 F HA -0.194 4.333 4.527 0.000 0.000 0.296 1878 F C 2.799 178.607 175.800 0.013 0.000 1.111 1878 F CA 0.257 58.266 58.000 0.016 0.000 1.224 1878 F CB -0.362 38.649 39.000 0.019 0.000 0.991 1878 F HN 0.130 nan 8.300 nan 0.000 0.471 1879 A N 0.766 123.722 122.820 0.228 0.000 1.940 1879 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 1879 A C 2.098 179.733 177.584 0.085 0.000 1.190 1879 A CA 2.177 54.287 52.037 0.122 0.000 0.647 1879 A CB -0.879 18.166 19.000 0.076 0.000 0.821 1879 A HN 0.372 nan 8.150 nan 0.000 0.457 1880 R N -1.391 119.159 120.500 0.082 0.000 2.062 1880 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 1880 R C 2.085 178.419 176.300 0.057 0.000 1.128 1880 R CA 1.165 57.300 56.100 0.058 0.000 0.960 1880 R CB -0.762 29.568 30.300 0.050 0.000 0.855 1880 R HN 0.343 nan 8.270 nan 0.000 0.432 1881 V N 2.121 122.081 119.914 0.076 0.000 2.317 1881 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 1881 V C 1.469 177.582 176.094 0.031 0.000 1.065 1881 V CA 1.563 63.895 62.300 0.053 0.000 1.049 1881 V CB -0.274 31.583 31.823 0.058 0.000 0.651 1881 V HN 0.143 nan 8.190 nan 0.000 0.450 1882 L N 0.000 121.245 121.223 0.037 0.000 2.949 1882 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1882 L CA 0.000 54.853 54.840 0.022 0.000 0.813 1882 L CB 0.000 42.075 42.059 0.027 0.000 0.961 1882 L HN 0.000 nan 8.230 nan 0.000 0.502